USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 806 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 100:sc= 0.0103 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= 0.00415 K(o=0.0042,f=-0.72) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HE2:sc= -1.05 X(o=-1.1,f=-0.9) USER MOD Single : A 35 ASN : amide:sc= -0.623 K(o=-0.62,f=-0.11) USER MOD Single : A 37 THR OG1 : rot 169:sc= 0.222 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.125 X(o=-0.13,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.849 K(o=-0.85,f=-0.22) USER MOD Single : A 46 LYS NZ :NH3+ -148:sc= 0.893 (180deg=0.342) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.557 X(o=-0.56,f=-0.14) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -120:sc= 0.756 (180deg=0.0139) USER MOD Single : A 58 LYS NZ :NH3+ -134:sc= 1.08 (180deg=-0.048) USER MOD Single : A 62 HIS : no HD1:sc= -3.09 X(o=-3.1,f=-3.5!) USER MOD Single : A 63 CYS SG : rot 50:sc= -0.275! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 81:sc= 0.23 USER MOD Single : A 76 MET CE :methyl -165:sc= -0.0437 (180deg=-0.56) USER MOD Single : A 77 HIS : no HD1:sc= -1.91 K(o=-1.9,f=-3.4!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 12:sc= 0.215 USER MOD Single : A 89 ASN : amide:sc=-0.00445 X(o=-0.0044,f=0) USER MOD Single : A 91 TYR OH : rot 31:sc= 0.0469 USER MOD Single : A 95 LYS NZ :NH3+ 136:sc= -0.492 (180deg=-2.51!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 160:sc= -2.71! (180deg=-3.18!) USER MOD Single : A 102 TYR OH : rot -100:sc= -1.31 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -5.237 13.075 -5.905 1.00 0.00 N ATOM 21 CA LEU A 2 -4.713 11.693 -5.905 1.00 0.00 C ATOM 22 C LEU A 2 -5.641 10.675 -6.597 1.00 0.00 C ATOM 23 O LEU A 2 -5.251 9.519 -6.740 1.00 0.00 O ATOM 24 CB LEU A 2 -4.365 11.190 -4.473 1.00 0.00 C ATOM 25 CG LEU A 2 -5.533 10.687 -3.565 1.00 0.00 C ATOM 26 CD1 LEU A 2 -4.977 9.835 -2.412 1.00 0.00 C ATOM 27 CD2 LEU A 2 -6.384 11.845 -3.019 1.00 0.00 C ATOM 0 HA LEU A 2 -3.797 11.753 -6.493 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.645 10.377 -4.571 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -3.860 12.001 -3.948 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.188 10.073 -4.183 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.799 9.490 -1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -4.445 8.975 -2.819 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.292 10.435 -1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -7.183 11.446 -2.394 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -5.756 12.510 -2.425 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.817 12.402 -3.850 1.00 0.00 H new ATOM 39 N GLU A 3 -6.853 11.091 -7.021 1.00 0.00 N ATOM 40 CA GLU A 3 -7.867 10.148 -7.577 1.00 0.00 C ATOM 41 C GLU A 3 -7.370 9.453 -8.880 1.00 0.00 C ATOM 42 O GLU A 3 -7.776 8.330 -9.184 1.00 0.00 O ATOM 43 CB GLU A 3 -9.247 10.838 -7.812 1.00 0.00 C ATOM 44 CG GLU A 3 -9.299 11.873 -8.957 1.00 0.00 C ATOM 45 CD GLU A 3 -8.514 13.160 -8.671 1.00 0.00 C ATOM 46 OE1 GLU A 3 -9.061 14.057 -8.008 1.00 0.00 O ATOM 47 OE2 GLU A 3 -7.348 13.273 -9.099 1.00 0.00 O ATOM 0 H GLU A 3 -7.159 12.064 -6.993 1.00 0.00 H new ATOM 0 HA GLU A 3 -8.008 9.375 -6.821 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -9.988 10.065 -8.014 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -9.546 11.333 -6.888 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.907 11.415 -9.865 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -10.340 12.130 -9.153 1.00 0.00 H new ATOM 54 N ASP A 4 -6.477 10.134 -9.628 1.00 0.00 N ATOM 55 CA ASP A 4 -5.814 9.559 -10.828 1.00 0.00 C ATOM 56 C ASP A 4 -4.777 8.475 -10.454 1.00 0.00 C ATOM 57 O ASP A 4 -4.484 7.585 -11.252 1.00 0.00 O ATOM 58 CB ASP A 4 -5.123 10.670 -11.655 1.00 0.00 C ATOM 59 CG ASP A 4 -6.118 11.582 -12.389 1.00 0.00 C ATOM 60 OD1 ASP A 4 -6.670 11.155 -13.428 1.00 0.00 O ATOM 61 OD2 ASP A 4 -6.327 12.734 -11.958 1.00 0.00 O ATOM 0 H ASP A 4 -6.193 11.092 -9.423 1.00 0.00 H new ATOM 0 HA ASP A 4 -6.595 9.090 -11.427 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -4.504 11.276 -10.993 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -4.455 10.210 -12.383 1.00 0.00 H new ATOM 66 N TYR A 5 -4.232 8.572 -9.234 1.00 0.00 N ATOM 67 CA TYR A 5 -3.221 7.626 -8.697 1.00 0.00 C ATOM 68 C TYR A 5 -3.895 6.360 -8.101 1.00 0.00 C ATOM 69 O TYR A 5 -3.206 5.490 -7.542 1.00 0.00 O ATOM 70 CB TYR A 5 -2.344 8.337 -7.620 1.00 0.00 C ATOM 71 CG TYR A 5 -1.574 9.584 -8.124 1.00 0.00 C ATOM 72 CD1 TYR A 5 -2.244 10.784 -8.410 1.00 0.00 C ATOM 73 CD2 TYR A 5 -0.187 9.567 -8.298 1.00 0.00 C ATOM 74 CE1 TYR A 5 -1.563 11.905 -8.838 1.00 0.00 C ATOM 75 CE2 TYR A 5 0.495 10.689 -8.733 1.00 0.00 C ATOM 76 CZ TYR A 5 -0.197 11.854 -9.000 1.00 0.00 C ATOM 77 OH TYR A 5 0.480 12.981 -9.409 1.00 0.00 O ATOM 0 H TYR A 5 -4.477 9.314 -8.579 1.00 0.00 H new ATOM 0 HA TYR A 5 -2.582 7.305 -9.520 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.984 8.635 -6.790 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.625 7.619 -7.226 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.317 10.831 -8.292 1.00 0.00 H new ATOM 0 HD2 TYR A 5 0.362 8.661 -8.089 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.100 12.819 -9.045 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.567 10.654 -8.864 1.00 0.00 H new ATOM 0 HH TYR A 5 1.437 12.782 -9.475 1.00 0.00 H new ATOM 87 N ALA A 6 -5.247 6.288 -8.196 1.00 0.00 N ATOM 88 CA ALA A 6 -6.039 5.126 -7.743 1.00 0.00 C ATOM 89 C ALA A 6 -5.830 3.929 -8.672 1.00 0.00 C ATOM 90 O ALA A 6 -6.200 3.979 -9.849 1.00 0.00 O ATOM 91 CB ALA A 6 -7.537 5.485 -7.669 1.00 0.00 C ATOM 0 H ALA A 6 -5.815 7.038 -8.590 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.695 4.853 -6.745 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.103 4.616 -7.333 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.680 6.305 -6.966 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -7.888 5.788 -8.656 1.00 0.00 H new ATOM 97 N ILE A 7 -5.211 2.872 -8.147 1.00 0.00 N ATOM 98 CA ILE A 7 -4.979 1.628 -8.889 1.00 0.00 C ATOM 99 C ILE A 7 -5.879 0.525 -8.314 1.00 0.00 C ATOM 100 O ILE A 7 -5.895 0.308 -7.100 1.00 0.00 O ATOM 101 CB ILE A 7 -3.462 1.209 -8.815 1.00 0.00 C ATOM 102 CG1 ILE A 7 -2.552 2.395 -9.295 1.00 0.00 C ATOM 103 CG2 ILE A 7 -3.197 -0.071 -9.649 1.00 0.00 C ATOM 104 CD1 ILE A 7 -1.066 2.096 -9.351 1.00 0.00 C ATOM 0 H ILE A 7 -4.854 2.852 -7.192 1.00 0.00 H new ATOM 0 HA ILE A 7 -5.226 1.782 -9.939 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.215 0.981 -7.778 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.881 2.704 -10.287 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.709 3.243 -8.629 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.142 -0.338 -9.581 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.804 -0.889 -9.262 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.458 0.113 -10.691 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.530 2.981 -9.694 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.713 1.820 -8.357 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.886 1.272 -10.042 1.00 0.00 H new ATOM 116 N SER A 8 -6.652 -0.134 -9.189 1.00 0.00 N ATOM 117 CA SER A 8 -7.511 -1.272 -8.818 1.00 0.00 C ATOM 118 C SER A 8 -6.720 -2.595 -8.935 1.00 0.00 C ATOM 119 O SER A 8 -5.715 -2.663 -9.652 1.00 0.00 O ATOM 120 CB SER A 8 -8.749 -1.291 -9.730 1.00 0.00 C ATOM 121 OG SER A 8 -9.442 -0.053 -9.681 1.00 0.00 O ATOM 0 H SER A 8 -6.700 0.107 -10.179 1.00 0.00 H new ATOM 0 HA SER A 8 -7.837 -1.164 -7.783 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.445 -1.500 -10.756 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.417 -2.097 -9.425 1.00 0.00 H new ATOM 0 HG SER A 8 -9.205 0.486 -10.464 1.00 0.00 H new ATOM 127 N LEU A 9 -7.191 -3.641 -8.240 1.00 0.00 N ATOM 128 CA LEU A 9 -6.491 -4.943 -8.147 1.00 0.00 C ATOM 129 C LEU A 9 -6.501 -5.722 -9.497 1.00 0.00 C ATOM 130 O LEU A 9 -5.605 -6.527 -9.772 1.00 0.00 O ATOM 131 CB LEU A 9 -7.115 -5.763 -6.986 1.00 0.00 C ATOM 132 CG LEU A 9 -6.546 -7.195 -6.729 1.00 0.00 C ATOM 133 CD1 LEU A 9 -5.005 -7.212 -6.632 1.00 0.00 C ATOM 134 CD2 LEU A 9 -7.183 -7.806 -5.466 1.00 0.00 C ATOM 0 H LEU A 9 -8.070 -3.614 -7.723 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.438 -4.765 -7.931 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.002 -5.186 -6.068 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.184 -5.855 -7.176 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.811 -7.807 -7.592 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.663 -8.231 -6.453 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.578 -6.844 -7.565 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.685 -6.572 -5.810 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.777 -8.804 -5.300 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.961 -7.176 -4.605 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.263 -7.871 -5.598 1.00 0.00 H new ATOM 146 N GLU A 10 -7.482 -5.432 -10.353 1.00 0.00 N ATOM 147 CA GLU A 10 -7.601 -6.062 -11.691 1.00 0.00 C ATOM 148 C GLU A 10 -6.852 -5.253 -12.774 1.00 0.00 C ATOM 149 O GLU A 10 -6.952 -5.569 -13.958 1.00 0.00 O ATOM 150 CB GLU A 10 -9.098 -6.296 -12.090 1.00 0.00 C ATOM 151 CG GLU A 10 -10.072 -5.113 -11.858 1.00 0.00 C ATOM 152 CD GLU A 10 -10.620 -5.050 -10.413 1.00 0.00 C ATOM 153 OE1 GLU A 10 -11.579 -5.787 -10.096 1.00 0.00 O ATOM 154 OE2 GLU A 10 -10.085 -4.286 -9.586 1.00 0.00 O ATOM 0 H GLU A 10 -8.220 -4.757 -10.150 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.123 -7.039 -11.625 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.131 -6.562 -13.146 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.468 -7.156 -11.533 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.559 -4.179 -12.086 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.907 -5.197 -12.553 1.00 0.00 H new ATOM 161 N GLU A 11 -6.085 -4.223 -12.362 1.00 0.00 N ATOM 162 CA GLU A 11 -5.218 -3.443 -13.276 1.00 0.00 C ATOM 163 C GLU A 11 -3.839 -3.175 -12.631 1.00 0.00 C ATOM 164 O GLU A 11 -3.030 -2.428 -13.188 1.00 0.00 O ATOM 165 CB GLU A 11 -5.907 -2.101 -13.674 1.00 0.00 C ATOM 166 CG GLU A 11 -6.165 -1.132 -12.496 1.00 0.00 C ATOM 167 CD GLU A 11 -6.818 0.200 -12.914 1.00 0.00 C ATOM 168 OE1 GLU A 11 -6.214 0.942 -13.714 1.00 0.00 O ATOM 169 OE2 GLU A 11 -7.921 0.523 -12.422 1.00 0.00 O ATOM 0 H GLU A 11 -6.047 -3.908 -11.393 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.062 -4.032 -14.180 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.286 -1.595 -14.413 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.858 -2.326 -14.157 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.806 -1.626 -11.766 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.219 -0.921 -11.998 1.00 0.00 H new ATOM 176 N VAL A 12 -3.565 -3.801 -11.464 1.00 0.00 N ATOM 177 CA VAL A 12 -2.327 -3.546 -10.693 1.00 0.00 C ATOM 178 C VAL A 12 -1.172 -4.452 -11.158 1.00 0.00 C ATOM 179 O VAL A 12 -1.396 -5.555 -11.660 1.00 0.00 O ATOM 180 CB VAL A 12 -2.555 -3.753 -9.145 1.00 0.00 C ATOM 181 CG1 VAL A 12 -2.775 -5.236 -8.774 1.00 0.00 C ATOM 182 CG2 VAL A 12 -1.411 -3.137 -8.312 1.00 0.00 C ATOM 0 H VAL A 12 -4.186 -4.487 -11.035 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.058 -2.506 -10.877 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.474 -3.222 -8.897 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.927 -5.323 -7.698 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.653 -5.615 -9.296 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.900 -5.818 -9.065 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.604 -3.300 -7.252 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.467 -3.609 -8.585 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.353 -2.067 -8.510 1.00 0.00 H new ATOM 192 N ASN A 13 0.061 -3.955 -10.992 1.00 0.00 N ATOM 193 CA ASN A 13 1.295 -4.733 -11.163 1.00 0.00 C ATOM 194 C ASN A 13 2.203 -4.398 -9.981 1.00 0.00 C ATOM 195 O ASN A 13 2.946 -3.433 -10.049 1.00 0.00 O ATOM 196 CB ASN A 13 1.996 -4.392 -12.512 1.00 0.00 C ATOM 197 CG ASN A 13 1.114 -4.645 -13.736 1.00 0.00 C ATOM 198 OD1 ASN A 13 1.119 -5.729 -14.317 1.00 0.00 O ATOM 199 ND2 ASN A 13 0.327 -3.650 -14.114 1.00 0.00 N ATOM 0 H ASN A 13 0.232 -2.984 -10.731 1.00 0.00 H new ATOM 0 HA ASN A 13 1.070 -5.799 -11.190 1.00 0.00 H new ATOM 0 HB2 ASN A 13 2.298 -3.345 -12.501 1.00 0.00 H new ATOM 0 HB3 ASN A 13 2.906 -4.985 -12.600 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -0.300 -3.770 -14.909 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.348 -2.764 -13.610 1.00 0.00 H new ATOM 206 N PHE A 14 2.089 -5.158 -8.873 1.00 0.00 N ATOM 207 CA PHE A 14 2.884 -4.910 -7.633 1.00 0.00 C ATOM 208 C PHE A 14 4.407 -4.938 -7.908 1.00 0.00 C ATOM 209 O PHE A 14 5.172 -4.213 -7.279 1.00 0.00 O ATOM 210 CB PHE A 14 2.515 -5.933 -6.523 1.00 0.00 C ATOM 211 CG PHE A 14 1.097 -5.764 -5.973 1.00 0.00 C ATOM 212 CD1 PHE A 14 0.773 -4.673 -5.176 1.00 0.00 C ATOM 213 CD2 PHE A 14 0.098 -6.684 -6.251 1.00 0.00 C ATOM 214 CE1 PHE A 14 -0.504 -4.516 -4.673 1.00 0.00 C ATOM 215 CE2 PHE A 14 -1.175 -6.532 -5.751 1.00 0.00 C ATOM 216 CZ PHE A 14 -1.476 -5.446 -4.965 1.00 0.00 C ATOM 0 H PHE A 14 1.454 -5.953 -8.803 1.00 0.00 H new ATOM 0 HA PHE A 14 2.629 -3.909 -7.284 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.622 -6.942 -6.922 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.226 -5.837 -5.703 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.530 -3.938 -4.947 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.323 -7.538 -6.873 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.739 -3.665 -4.051 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.936 -7.265 -5.976 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.476 -5.322 -4.576 1.00 0.00 H new ATOM 226 N ASN A 15 4.797 -5.747 -8.902 1.00 0.00 N ATOM 227 CA ASN A 15 6.199 -5.896 -9.359 1.00 0.00 C ATOM 228 C ASN A 15 6.748 -4.605 -10.022 1.00 0.00 C ATOM 229 O ASN A 15 7.962 -4.459 -10.182 1.00 0.00 O ATOM 230 CB ASN A 15 6.278 -7.089 -10.346 1.00 0.00 C ATOM 231 CG ASN A 15 5.424 -6.883 -11.601 1.00 0.00 C ATOM 232 OD1 ASN A 15 4.212 -7.110 -11.586 1.00 0.00 O ATOM 233 ND2 ASN A 15 6.046 -6.464 -12.691 1.00 0.00 N ATOM 0 H ASN A 15 4.142 -6.329 -9.424 1.00 0.00 H new ATOM 0 HA ASN A 15 6.824 -6.084 -8.486 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.316 -7.242 -10.640 1.00 0.00 H new ATOM 0 HB3 ASN A 15 5.954 -7.997 -9.837 1.00 0.00 H new ATOM 0 HD21 ASN A 15 5.521 -6.319 -13.554 1.00 0.00 H new ATOM 0 HD22 ASN A 15 7.050 -6.286 -12.669 1.00 0.00 H new ATOM 240 N ASP A 16 5.843 -3.683 -10.403 1.00 0.00 N ATOM 241 CA ASP A 16 6.191 -2.417 -11.086 1.00 0.00 C ATOM 242 C ASP A 16 6.525 -1.301 -10.066 1.00 0.00 C ATOM 243 O ASP A 16 7.280 -0.375 -10.379 1.00 0.00 O ATOM 244 CB ASP A 16 5.014 -1.979 -12.008 1.00 0.00 C ATOM 245 CG ASP A 16 5.335 -0.762 -12.900 1.00 0.00 C ATOM 246 OD1 ASP A 16 6.031 -0.937 -13.924 1.00 0.00 O ATOM 247 OD2 ASP A 16 4.925 0.372 -12.570 1.00 0.00 O ATOM 0 H ASP A 16 4.841 -3.795 -10.245 1.00 0.00 H new ATOM 0 HA ASP A 16 7.081 -2.585 -11.693 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.732 -2.818 -12.644 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.149 -1.744 -11.388 1.00 0.00 H new ATOM 252 N PHE A 17 5.964 -1.396 -8.836 1.00 0.00 N ATOM 253 CA PHE A 17 6.112 -0.339 -7.792 1.00 0.00 C ATOM 254 C PHE A 17 6.764 -0.947 -6.531 1.00 0.00 C ATOM 255 O PHE A 17 6.708 -2.164 -6.330 1.00 0.00 O ATOM 256 CB PHE A 17 4.720 0.276 -7.395 1.00 0.00 C ATOM 257 CG PHE A 17 3.702 0.409 -8.537 1.00 0.00 C ATOM 258 CD1 PHE A 17 2.870 -0.655 -8.879 1.00 0.00 C ATOM 259 CD2 PHE A 17 3.589 1.577 -9.273 1.00 0.00 C ATOM 260 CE1 PHE A 17 1.971 -0.553 -9.921 1.00 0.00 C ATOM 261 CE2 PHE A 17 2.690 1.684 -10.310 1.00 0.00 C ATOM 262 CZ PHE A 17 1.882 0.612 -10.639 1.00 0.00 C ATOM 0 H PHE A 17 5.403 -2.194 -8.537 1.00 0.00 H new ATOM 0 HA PHE A 17 6.738 0.453 -8.204 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.281 -0.341 -6.611 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.889 1.264 -6.966 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.930 -1.576 -8.318 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.218 2.420 -9.029 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.337 -1.391 -10.171 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.616 2.606 -10.867 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.183 0.692 -11.459 1.00 0.00 H new ATOM 272 N ILE A 18 7.397 -0.104 -5.698 1.00 0.00 N ATOM 273 CA ILE A 18 7.787 -0.490 -4.325 1.00 0.00 C ATOM 274 C ILE A 18 6.538 -0.413 -3.443 1.00 0.00 C ATOM 275 O ILE A 18 6.025 0.676 -3.172 1.00 0.00 O ATOM 276 CB ILE A 18 8.930 0.419 -3.729 1.00 0.00 C ATOM 277 CG1 ILE A 18 10.207 0.349 -4.635 1.00 0.00 C ATOM 278 CG2 ILE A 18 9.254 0.016 -2.258 1.00 0.00 C ATOM 279 CD1 ILE A 18 11.392 1.162 -4.144 1.00 0.00 C ATOM 0 H ILE A 18 7.651 0.851 -5.949 1.00 0.00 H new ATOM 0 HA ILE A 18 8.192 -1.502 -4.354 1.00 0.00 H new ATOM 0 HB ILE A 18 8.580 1.451 -3.714 1.00 0.00 H new ATOM 0 HG12 ILE A 18 10.513 -0.693 -4.724 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.942 0.690 -5.636 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.045 0.658 -1.871 1.00 0.00 H new ATOM 0 HG22 ILE A 18 8.361 0.131 -1.644 1.00 0.00 H new ATOM 0 HG23 ILE A 18 9.583 -1.023 -2.229 1.00 0.00 H new ATOM 0 HD11 ILE A 18 12.224 1.048 -4.838 1.00 0.00 H new ATOM 0 HD12 ILE A 18 11.112 2.214 -4.083 1.00 0.00 H new ATOM 0 HD13 ILE A 18 11.692 0.809 -3.157 1.00 0.00 H new ATOM 291 N VAL A 19 6.054 -1.575 -3.002 1.00 0.00 N ATOM 292 CA VAL A 19 4.752 -1.685 -2.349 1.00 0.00 C ATOM 293 C VAL A 19 4.919 -1.423 -0.840 1.00 0.00 C ATOM 294 O VAL A 19 6.014 -1.590 -0.286 1.00 0.00 O ATOM 295 CB VAL A 19 4.109 -3.105 -2.618 1.00 0.00 C ATOM 296 CG1 VAL A 19 2.617 -3.136 -2.239 1.00 0.00 C ATOM 297 CG2 VAL A 19 4.302 -3.545 -4.088 1.00 0.00 C ATOM 0 H VAL A 19 6.552 -2.461 -3.087 1.00 0.00 H new ATOM 0 HA VAL A 19 4.074 -0.939 -2.763 1.00 0.00 H new ATOM 0 HB VAL A 19 4.633 -3.815 -1.978 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.212 -4.128 -2.438 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.506 -2.905 -1.180 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.076 -2.397 -2.830 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.848 -4.525 -4.237 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.827 -2.821 -4.750 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.367 -3.600 -4.314 1.00 0.00 H new ATOM 307 N VAL A 20 3.841 -0.976 -0.190 1.00 0.00 N ATOM 308 CA VAL A 20 3.799 -0.736 1.262 1.00 0.00 C ATOM 309 C VAL A 20 2.494 -1.300 1.827 1.00 0.00 C ATOM 310 O VAL A 20 1.410 -0.965 1.343 1.00 0.00 O ATOM 311 CB VAL A 20 3.898 0.798 1.616 1.00 0.00 C ATOM 312 CG1 VAL A 20 3.677 1.067 3.124 1.00 0.00 C ATOM 313 CG2 VAL A 20 5.241 1.404 1.157 1.00 0.00 C ATOM 0 H VAL A 20 2.960 -0.767 -0.660 1.00 0.00 H new ATOM 0 HA VAL A 20 4.661 -1.235 1.706 1.00 0.00 H new ATOM 0 HB VAL A 20 3.094 1.289 1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.755 2.137 3.318 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.687 0.717 3.415 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.434 0.537 3.703 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.271 2.462 1.419 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.062 0.885 1.651 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.339 1.294 0.077 1.00 0.00 H new ATOM 323 N ASP A 21 2.608 -2.165 2.841 1.00 0.00 N ATOM 324 CA ASP A 21 1.454 -2.660 3.593 1.00 0.00 C ATOM 325 C ASP A 21 1.013 -1.543 4.542 1.00 0.00 C ATOM 326 O ASP A 21 1.688 -1.303 5.538 1.00 0.00 O ATOM 327 CB ASP A 21 1.851 -3.950 4.383 1.00 0.00 C ATOM 328 CG ASP A 21 0.634 -4.744 4.898 1.00 0.00 C ATOM 329 OD1 ASP A 21 0.069 -4.406 5.955 1.00 0.00 O ATOM 330 OD2 ASP A 21 0.230 -5.717 4.219 1.00 0.00 O ATOM 0 H ASP A 21 3.501 -2.540 3.161 1.00 0.00 H new ATOM 0 HA ASP A 21 0.633 -2.925 2.927 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.450 -4.593 3.739 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.480 -3.672 5.229 1.00 0.00 H new ATOM 335 N VAL A 22 -0.082 -0.829 4.198 1.00 0.00 N ATOM 336 CA VAL A 22 -0.621 0.269 5.034 1.00 0.00 C ATOM 337 C VAL A 22 -1.847 -0.220 5.796 1.00 0.00 C ATOM 338 O VAL A 22 -2.990 -0.043 5.362 1.00 0.00 O ATOM 339 CB VAL A 22 -0.954 1.584 4.216 1.00 0.00 C ATOM 340 CG1 VAL A 22 0.335 2.346 3.846 1.00 0.00 C ATOM 341 CG2 VAL A 22 -1.783 1.267 2.946 1.00 0.00 C ATOM 0 H VAL A 22 -0.613 -0.994 3.343 1.00 0.00 H new ATOM 0 HA VAL A 22 0.165 0.549 5.735 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.559 2.224 4.859 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.078 3.245 3.285 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.866 2.626 4.756 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.973 1.707 3.235 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.994 2.192 2.409 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.218 0.594 2.301 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.721 0.792 3.233 1.00 0.00 H new ATOM 351 N ARG A 23 -1.609 -0.876 6.930 1.00 0.00 N ATOM 352 CA ARG A 23 -2.690 -1.404 7.779 1.00 0.00 C ATOM 353 C ARG A 23 -2.250 -1.290 9.233 1.00 0.00 C ATOM 354 O ARG A 23 -2.469 -0.245 9.864 1.00 0.00 O ATOM 355 CB ARG A 23 -3.105 -2.879 7.393 1.00 0.00 C ATOM 356 CG ARG A 23 -3.690 -3.027 5.960 1.00 0.00 C ATOM 357 CD ARG A 23 -4.011 -4.470 5.571 1.00 0.00 C ATOM 358 NE ARG A 23 -2.825 -5.336 5.562 1.00 0.00 N ATOM 359 CZ ARG A 23 -2.831 -6.658 5.765 1.00 0.00 C ATOM 360 NH1 ARG A 23 -3.934 -7.301 6.150 1.00 0.00 N ATOM 361 NH2 ARG A 23 -1.706 -7.327 5.647 1.00 0.00 N ATOM 0 H ARG A 23 -0.672 -1.059 7.289 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.591 -0.811 7.621 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.232 -3.525 7.484 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.842 -3.236 8.112 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.599 -2.430 5.885 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.979 -2.617 5.243 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.745 -4.874 6.268 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.470 -4.481 4.583 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.923 -4.893 5.387 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.801 -6.784 6.297 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.911 -8.310 6.298 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.845 -6.838 5.404 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.694 -8.336 5.799 1.00 0.00 H new ATOM 375 N GLU A 24 -1.550 -2.320 9.728 1.00 0.00 N ATOM 376 CA GLU A 24 -1.182 -2.418 11.147 1.00 0.00 C ATOM 377 C GLU A 24 -0.110 -3.509 11.318 1.00 0.00 C ATOM 378 O GLU A 24 0.189 -4.248 10.364 1.00 0.00 O ATOM 379 CB GLU A 24 -2.457 -2.731 12.019 1.00 0.00 C ATOM 380 CG GLU A 24 -2.515 -2.015 13.387 1.00 0.00 C ATOM 381 CD GLU A 24 -2.749 -0.495 13.257 1.00 0.00 C ATOM 382 OE1 GLU A 24 -3.897 -0.089 12.972 1.00 0.00 O ATOM 383 OE2 GLU A 24 -1.797 0.300 13.427 1.00 0.00 O ATOM 0 H GLU A 24 -1.225 -3.103 9.161 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.772 -1.467 11.488 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.344 -2.458 11.447 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.506 -3.807 12.188 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.314 -2.451 13.987 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.582 -2.190 13.923 1.00 0.00 H new ATOM 390 N LEU A 25 0.455 -3.596 12.534 1.00 0.00 N ATOM 391 CA LEU A 25 1.475 -4.592 12.892 1.00 0.00 C ATOM 392 C LEU A 25 0.904 -6.021 12.785 1.00 0.00 C ATOM 393 O LEU A 25 1.447 -6.848 12.053 1.00 0.00 O ATOM 394 CB LEU A 25 1.997 -4.307 14.328 1.00 0.00 C ATOM 395 CG LEU A 25 3.048 -5.309 14.913 1.00 0.00 C ATOM 396 CD1 LEU A 25 4.326 -5.395 14.043 1.00 0.00 C ATOM 397 CD2 LEU A 25 3.399 -4.941 16.373 1.00 0.00 C ATOM 0 H LEU A 25 0.213 -2.970 13.302 1.00 0.00 H new ATOM 0 HA LEU A 25 2.308 -4.517 12.193 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.438 -3.310 14.337 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.140 -4.283 15.001 1.00 0.00 H new ATOM 0 HG LEU A 25 2.590 -6.298 14.902 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.024 -6.103 14.491 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.062 -5.731 13.040 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.793 -4.412 13.985 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.131 -5.650 16.761 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.816 -3.935 16.404 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.498 -4.979 16.985 1.00 0.00 H new ATOM 409 N ASP A 26 -0.230 -6.269 13.478 1.00 0.00 N ATOM 410 CA ASP A 26 -0.874 -7.604 13.533 1.00 0.00 C ATOM 411 C ASP A 26 -1.300 -8.084 12.129 1.00 0.00 C ATOM 412 O ASP A 26 -1.120 -9.258 11.795 1.00 0.00 O ATOM 413 CB ASP A 26 -2.099 -7.597 14.501 1.00 0.00 C ATOM 414 CG ASP A 26 -3.284 -6.735 14.015 1.00 0.00 C ATOM 415 OD1 ASP A 26 -3.075 -5.535 13.733 1.00 0.00 O ATOM 416 OD2 ASP A 26 -4.416 -7.249 13.894 1.00 0.00 O ATOM 0 H ASP A 26 -0.724 -5.554 14.013 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.134 -8.305 13.919 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.443 -8.622 14.641 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.775 -7.233 15.476 1.00 0.00 H new ATOM 421 N GLU A 27 -1.831 -7.145 11.311 1.00 0.00 N ATOM 422 CA GLU A 27 -2.301 -7.438 9.944 1.00 0.00 C ATOM 423 C GLU A 27 -1.147 -7.799 8.999 1.00 0.00 C ATOM 424 O GLU A 27 -1.307 -8.674 8.145 1.00 0.00 O ATOM 425 CB GLU A 27 -3.148 -6.268 9.377 1.00 0.00 C ATOM 426 CG GLU A 27 -4.575 -6.211 9.950 1.00 0.00 C ATOM 427 CD GLU A 27 -5.522 -5.319 9.148 1.00 0.00 C ATOM 428 OE1 GLU A 27 -5.909 -5.723 8.022 1.00 0.00 O ATOM 429 OE2 GLU A 27 -5.876 -4.219 9.622 1.00 0.00 O ATOM 0 H GLU A 27 -1.944 -6.168 11.582 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.943 -8.316 10.011 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.641 -5.327 9.590 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.204 -6.362 8.293 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.984 -7.221 9.986 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.531 -5.849 10.977 1.00 0.00 H new ATOM 436 N TYR A 28 0.000 -7.128 9.169 1.00 0.00 N ATOM 437 CA TYR A 28 1.236 -7.443 8.430 1.00 0.00 C ATOM 438 C TYR A 28 1.695 -8.883 8.722 1.00 0.00 C ATOM 439 O TYR A 28 2.029 -9.650 7.807 1.00 0.00 O ATOM 440 CB TYR A 28 2.351 -6.437 8.820 1.00 0.00 C ATOM 441 CG TYR A 28 3.783 -6.826 8.358 1.00 0.00 C ATOM 442 CD1 TYR A 28 4.269 -6.478 7.095 1.00 0.00 C ATOM 443 CD2 TYR A 28 4.639 -7.548 9.205 1.00 0.00 C ATOM 444 CE1 TYR A 28 5.549 -6.833 6.707 1.00 0.00 C ATOM 445 CE2 TYR A 28 5.902 -7.902 8.815 1.00 0.00 C ATOM 446 CZ TYR A 28 6.354 -7.547 7.570 1.00 0.00 C ATOM 447 OH TYR A 28 7.611 -7.928 7.177 1.00 0.00 O ATOM 0 H TYR A 28 0.100 -6.351 9.822 1.00 0.00 H new ATOM 0 HA TYR A 28 1.034 -7.360 7.362 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.103 -5.463 8.399 1.00 0.00 H new ATOM 0 HB3 TYR A 28 2.354 -6.325 9.904 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.639 -5.926 6.414 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.292 -7.831 10.188 1.00 0.00 H new ATOM 0 HE1 TYR A 28 5.917 -6.552 5.731 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.540 -8.459 9.485 1.00 0.00 H new ATOM 0 HH TYR A 28 8.045 -8.422 7.904 1.00 0.00 H new ATOM 457 N GLU A 29 1.727 -9.204 10.026 1.00 0.00 N ATOM 458 CA GLU A 29 2.299 -10.454 10.545 1.00 0.00 C ATOM 459 C GLU A 29 1.507 -11.688 10.076 1.00 0.00 C ATOM 460 O GLU A 29 2.106 -12.669 9.653 1.00 0.00 O ATOM 461 CB GLU A 29 2.377 -10.393 12.092 1.00 0.00 C ATOM 462 CG GLU A 29 3.316 -9.292 12.636 1.00 0.00 C ATOM 463 CD GLU A 29 3.292 -9.179 14.169 1.00 0.00 C ATOM 464 OE1 GLU A 29 2.212 -8.910 14.730 1.00 0.00 O ATOM 465 OE2 GLU A 29 4.349 -9.341 14.819 1.00 0.00 O ATOM 0 H GLU A 29 1.353 -8.596 10.755 1.00 0.00 H new ATOM 0 HA GLU A 29 3.307 -10.558 10.143 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.375 -10.229 12.489 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.714 -11.360 12.466 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.335 -9.499 12.309 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.031 -8.333 12.203 1.00 0.00 H new ATOM 472 N GLU A 30 0.164 -11.628 10.139 1.00 0.00 N ATOM 473 CA GLU A 30 -0.699 -12.749 9.694 1.00 0.00 C ATOM 474 C GLU A 30 -0.566 -12.993 8.164 1.00 0.00 C ATOM 475 O GLU A 30 -0.492 -14.152 7.729 1.00 0.00 O ATOM 476 CB GLU A 30 -2.176 -12.517 10.118 1.00 0.00 C ATOM 477 CG GLU A 30 -2.752 -11.155 9.703 1.00 0.00 C ATOM 478 CD GLU A 30 -4.235 -10.976 10.043 1.00 0.00 C ATOM 479 OE1 GLU A 30 -4.546 -10.500 11.156 1.00 0.00 O ATOM 480 OE2 GLU A 30 -5.095 -11.316 9.200 1.00 0.00 O ATOM 0 H GLU A 30 -0.350 -10.821 10.492 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.356 -13.656 10.192 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.793 -13.305 9.686 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.249 -12.613 11.201 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.180 -10.366 10.191 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.618 -11.027 8.629 1.00 0.00 H new ATOM 487 N LEU A 31 -0.498 -11.897 7.368 1.00 0.00 N ATOM 488 CA LEU A 31 -0.275 -11.967 5.900 1.00 0.00 C ATOM 489 C LEU A 31 0.109 -10.594 5.334 1.00 0.00 C ATOM 490 O LEU A 31 -0.259 -9.576 5.894 1.00 0.00 O ATOM 491 CB LEU A 31 -1.508 -12.586 5.139 1.00 0.00 C ATOM 492 CG LEU A 31 -2.863 -11.768 4.959 1.00 0.00 C ATOM 493 CD1 LEU A 31 -3.290 -10.973 6.206 1.00 0.00 C ATOM 494 CD2 LEU A 31 -2.853 -10.870 3.712 1.00 0.00 C ATOM 0 H LEU A 31 -0.595 -10.945 7.722 1.00 0.00 H new ATOM 0 HA LEU A 31 0.564 -12.643 5.733 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.163 -12.854 4.140 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.763 -13.515 5.649 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.622 -12.537 4.813 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.221 -10.445 6.000 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.439 -11.658 7.041 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.513 -10.252 6.462 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.801 -10.337 3.640 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.037 -10.151 3.788 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.714 -11.484 2.822 1.00 0.00 H new ATOM 506 N HIS A 32 0.857 -10.586 4.221 1.00 0.00 N ATOM 507 CA HIS A 32 1.271 -9.343 3.523 1.00 0.00 C ATOM 508 C HIS A 32 1.947 -9.711 2.191 1.00 0.00 C ATOM 509 O HIS A 32 2.090 -10.891 1.874 1.00 0.00 O ATOM 510 CB HIS A 32 2.249 -8.508 4.408 1.00 0.00 C ATOM 511 CG HIS A 32 3.555 -9.199 4.679 1.00 0.00 C ATOM 512 ND1 HIS A 32 3.661 -10.329 5.451 1.00 0.00 N ATOM 513 CD2 HIS A 32 4.800 -8.961 4.211 1.00 0.00 C ATOM 514 CE1 HIS A 32 4.901 -10.747 5.427 1.00 0.00 C ATOM 515 NE2 HIS A 32 5.609 -9.938 4.693 1.00 0.00 N ATOM 0 H HIS A 32 1.196 -11.437 3.773 1.00 0.00 H new ATOM 0 HA HIS A 32 0.387 -8.735 3.331 1.00 0.00 H new ATOM 0 HB2 HIS A 32 2.447 -7.555 3.916 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.763 -8.282 5.357 1.00 0.00 H new ATOM 0 HD1 HIS A 32 2.897 -10.772 5.961 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.097 -8.143 3.571 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.277 -11.623 5.935 1.00 0.00 H new ATOM 524 N LEU A 33 2.360 -8.698 1.418 1.00 0.00 N ATOM 525 CA LEU A 33 3.177 -8.900 0.202 1.00 0.00 C ATOM 526 C LEU A 33 4.673 -8.881 0.556 1.00 0.00 C ATOM 527 O LEU A 33 5.085 -8.078 1.392 1.00 0.00 O ATOM 528 CB LEU A 33 2.867 -7.797 -0.833 1.00 0.00 C ATOM 529 CG LEU A 33 1.489 -7.918 -1.530 1.00 0.00 C ATOM 530 CD1 LEU A 33 1.104 -6.597 -2.216 1.00 0.00 C ATOM 531 CD2 LEU A 33 1.463 -9.103 -2.537 1.00 0.00 C ATOM 0 H LEU A 33 2.142 -7.720 1.611 1.00 0.00 H new ATOM 0 HA LEU A 33 2.930 -9.871 -0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.921 -6.828 -0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.645 -7.808 -1.596 1.00 0.00 H new ATOM 0 HG LEU A 33 0.745 -8.128 -0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.133 -6.707 -2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.052 -5.802 -1.472 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.854 -6.344 -2.965 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.482 -9.159 -3.008 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.224 -8.947 -3.302 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.665 -10.034 -2.008 1.00 0.00 H new ATOM 543 N PRO A 34 5.517 -9.725 -0.116 1.00 0.00 N ATOM 544 CA PRO A 34 6.982 -9.783 0.151 1.00 0.00 C ATOM 545 C PRO A 34 7.697 -8.466 -0.252 1.00 0.00 C ATOM 546 O PRO A 34 8.796 -8.176 0.220 1.00 0.00 O ATOM 547 CB PRO A 34 7.456 -10.975 -0.733 1.00 0.00 C ATOM 548 CG PRO A 34 6.437 -11.050 -1.839 1.00 0.00 C ATOM 549 CD PRO A 34 5.119 -10.666 -1.205 1.00 0.00 C ATOM 0 HA PRO A 34 7.211 -9.912 1.209 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.458 -10.804 -1.127 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.492 -11.903 -0.162 1.00 0.00 H new ATOM 0 HG2 PRO A 34 6.692 -10.372 -2.654 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.391 -12.054 -2.262 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.452 -10.189 -1.923 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.594 -11.537 -0.811 1.00 0.00 H new ATOM 557 N ASN A 35 7.034 -7.679 -1.126 1.00 0.00 N ATOM 558 CA ASN A 35 7.547 -6.392 -1.643 1.00 0.00 C ATOM 559 C ASN A 35 6.913 -5.204 -0.889 1.00 0.00 C ATOM 560 O ASN A 35 7.083 -4.047 -1.299 1.00 0.00 O ATOM 561 CB ASN A 35 7.236 -6.279 -3.165 1.00 0.00 C ATOM 562 CG ASN A 35 7.743 -7.481 -3.971 1.00 0.00 C ATOM 563 OD1 ASN A 35 8.893 -7.520 -4.394 1.00 0.00 O ATOM 564 ND2 ASN A 35 6.884 -8.465 -4.193 1.00 0.00 N ATOM 0 H ASN A 35 6.116 -7.923 -1.497 1.00 0.00 H new ATOM 0 HA ASN A 35 8.625 -6.360 -1.486 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.159 -6.183 -3.304 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.690 -5.369 -3.556 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.173 -9.283 -4.729 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.933 -8.404 -3.828 1.00 0.00 H new ATOM 571 N ALA A 36 6.175 -5.500 0.213 1.00 0.00 N ATOM 572 CA ALA A 36 5.432 -4.487 0.992 1.00 0.00 C ATOM 573 C ALA A 36 6.151 -4.135 2.306 1.00 0.00 C ATOM 574 O ALA A 36 6.417 -5.020 3.128 1.00 0.00 O ATOM 575 CB ALA A 36 4.002 -4.975 1.270 1.00 0.00 C ATOM 0 H ALA A 36 6.082 -6.447 0.582 1.00 0.00 H new ATOM 0 HA ALA A 36 5.386 -3.576 0.395 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.465 -4.220 1.844 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.486 -5.147 0.325 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.039 -5.905 1.838 1.00 0.00 H new ATOM 581 N THR A 37 6.464 -2.835 2.480 1.00 0.00 N ATOM 582 CA THR A 37 7.037 -2.280 3.720 1.00 0.00 C ATOM 583 C THR A 37 5.943 -2.154 4.802 1.00 0.00 C ATOM 584 O THR A 37 4.820 -1.759 4.489 1.00 0.00 O ATOM 585 CB THR A 37 7.652 -0.867 3.430 1.00 0.00 C ATOM 586 OG1 THR A 37 8.640 -0.985 2.394 1.00 0.00 O ATOM 587 CG2 THR A 37 8.287 -0.210 4.679 1.00 0.00 C ATOM 0 H THR A 37 6.324 -2.133 1.753 1.00 0.00 H new ATOM 0 HA THR A 37 7.817 -2.951 4.080 1.00 0.00 H new ATOM 0 HB THR A 37 6.834 -0.219 3.116 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.904 -0.091 2.090 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.694 0.765 4.410 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.527 -0.086 5.451 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.088 -0.846 5.057 1.00 0.00 H new ATOM 595 N LEU A 38 6.271 -2.497 6.067 1.00 0.00 N ATOM 596 CA LEU A 38 5.326 -2.352 7.191 1.00 0.00 C ATOM 597 C LEU A 38 5.224 -0.863 7.553 1.00 0.00 C ATOM 598 O LEU A 38 6.162 -0.278 8.113 1.00 0.00 O ATOM 599 CB LEU A 38 5.781 -3.176 8.446 1.00 0.00 C ATOM 600 CG LEU A 38 4.660 -3.636 9.463 1.00 0.00 C ATOM 601 CD1 LEU A 38 5.276 -4.346 10.681 1.00 0.00 C ATOM 602 CD2 LEU A 38 3.702 -2.511 9.918 1.00 0.00 C ATOM 0 H LEU A 38 7.180 -2.875 6.333 1.00 0.00 H new ATOM 0 HA LEU A 38 4.355 -2.741 6.883 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.301 -4.067 8.093 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.509 -2.578 8.995 1.00 0.00 H new ATOM 0 HG LEU A 38 4.042 -4.339 8.904 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.483 -4.651 11.364 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.828 -5.225 10.349 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.954 -3.665 11.195 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.967 -2.918 10.613 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.273 -1.725 10.412 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.189 -2.096 9.050 1.00 0.00 H new ATOM 614 N ILE A 39 4.092 -0.251 7.194 1.00 0.00 N ATOM 615 CA ILE A 39 3.703 1.071 7.693 1.00 0.00 C ATOM 616 C ILE A 39 2.239 1.010 8.144 1.00 0.00 C ATOM 617 O ILE A 39 1.380 0.419 7.481 1.00 0.00 O ATOM 618 CB ILE A 39 3.908 2.218 6.626 1.00 0.00 C ATOM 619 CG1 ILE A 39 5.412 2.307 6.181 1.00 0.00 C ATOM 620 CG2 ILE A 39 3.430 3.582 7.182 1.00 0.00 C ATOM 621 CD1 ILE A 39 5.727 3.361 5.127 1.00 0.00 C ATOM 0 H ILE A 39 3.418 -0.660 6.547 1.00 0.00 H new ATOM 0 HA ILE A 39 4.353 1.322 8.531 1.00 0.00 H new ATOM 0 HB ILE A 39 3.304 1.972 5.752 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.021 2.507 7.062 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.717 1.333 5.797 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.582 4.355 6.429 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.371 3.522 7.432 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.001 3.830 8.077 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.791 3.336 4.894 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.153 3.155 4.224 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.462 4.347 5.508 1.00 0.00 H new ATOM 633 N SER A 40 1.964 1.597 9.293 1.00 0.00 N ATOM 634 CA SER A 40 0.601 1.717 9.791 1.00 0.00 C ATOM 635 C SER A 40 -0.021 2.980 9.176 1.00 0.00 C ATOM 636 O SER A 40 0.616 4.040 9.166 1.00 0.00 O ATOM 637 CB SER A 40 0.612 1.778 11.325 1.00 0.00 C ATOM 638 OG SER A 40 1.360 0.697 11.871 1.00 0.00 O ATOM 0 H SER A 40 2.671 2.002 9.906 1.00 0.00 H new ATOM 0 HA SER A 40 0.003 0.851 9.506 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.042 2.725 11.652 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.410 1.745 11.702 1.00 0.00 H new ATOM 0 HG SER A 40 1.355 0.757 12.849 1.00 0.00 H new ATOM 644 N VAL A 41 -1.237 2.837 8.608 1.00 0.00 N ATOM 645 CA VAL A 41 -2.049 3.962 8.078 1.00 0.00 C ATOM 646 C VAL A 41 -2.142 5.154 9.075 1.00 0.00 C ATOM 647 O VAL A 41 -2.217 6.311 8.659 1.00 0.00 O ATOM 648 CB VAL A 41 -3.492 3.445 7.720 1.00 0.00 C ATOM 649 CG1 VAL A 41 -4.173 2.829 8.973 1.00 0.00 C ATOM 650 CG2 VAL A 41 -4.364 4.561 7.070 1.00 0.00 C ATOM 0 H VAL A 41 -1.691 1.930 8.502 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.550 4.334 7.183 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.393 2.659 6.972 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.170 2.476 8.709 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.577 1.992 9.337 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.251 3.586 9.754 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.352 4.162 6.838 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.463 5.396 7.764 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.888 4.907 6.152 1.00 0.00 H new ATOM 660 N ASN A 42 -2.105 4.835 10.385 1.00 0.00 N ATOM 661 CA ASN A 42 -2.188 5.816 11.481 1.00 0.00 C ATOM 662 C ASN A 42 -0.961 6.761 11.497 1.00 0.00 C ATOM 663 O ASN A 42 -1.087 7.943 11.822 1.00 0.00 O ATOM 664 CB ASN A 42 -2.283 5.065 12.835 1.00 0.00 C ATOM 665 CG ASN A 42 -3.450 4.074 12.905 1.00 0.00 C ATOM 666 OD1 ASN A 42 -4.554 4.427 13.313 1.00 0.00 O ATOM 667 ND2 ASN A 42 -3.210 2.826 12.520 1.00 0.00 N ATOM 0 H ASN A 42 -2.015 3.874 10.714 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.078 6.426 11.324 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.350 4.529 13.010 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.387 5.794 13.639 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.953 2.129 12.558 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.282 2.565 12.186 1.00 0.00 H new ATOM 674 N ASP A 43 0.213 6.215 11.131 1.00 0.00 N ATOM 675 CA ASP A 43 1.502 6.933 11.169 1.00 0.00 C ATOM 676 C ASP A 43 1.747 7.705 9.863 1.00 0.00 C ATOM 677 O ASP A 43 2.360 7.184 8.922 1.00 0.00 O ATOM 678 CB ASP A 43 2.667 5.938 11.439 1.00 0.00 C ATOM 679 CG ASP A 43 2.593 5.285 12.819 1.00 0.00 C ATOM 680 OD1 ASP A 43 1.723 4.409 13.028 1.00 0.00 O ATOM 681 OD2 ASP A 43 3.397 5.642 13.705 1.00 0.00 O ATOM 0 H ASP A 43 0.295 5.255 10.797 1.00 0.00 H new ATOM 0 HA ASP A 43 1.461 7.656 11.983 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.657 5.160 10.675 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.616 6.465 11.344 1.00 0.00 H new ATOM 686 N GLN A 44 1.239 8.950 9.817 1.00 0.00 N ATOM 687 CA GLN A 44 1.526 9.902 8.723 1.00 0.00 C ATOM 688 C GLN A 44 3.013 10.264 8.697 1.00 0.00 C ATOM 689 O GLN A 44 3.569 10.515 7.634 1.00 0.00 O ATOM 690 CB GLN A 44 0.670 11.206 8.842 1.00 0.00 C ATOM 691 CG GLN A 44 -0.794 11.054 8.401 1.00 0.00 C ATOM 692 CD GLN A 44 -1.645 10.183 9.328 1.00 0.00 C ATOM 693 OE1 GLN A 44 -2.267 10.667 10.270 1.00 0.00 O ATOM 694 NE2 GLN A 44 -1.666 8.895 9.086 1.00 0.00 N ATOM 0 H GLN A 44 0.619 9.326 10.534 1.00 0.00 H new ATOM 0 HA GLN A 44 1.258 9.405 7.791 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.690 11.545 9.878 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.137 11.987 8.242 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.246 12.044 8.336 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.817 10.627 7.399 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.142 8.516 8.298 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.207 8.272 9.686 1.00 0.00 H new ATOM 703 N GLU A 45 3.633 10.292 9.884 1.00 0.00 N ATOM 704 CA GLU A 45 5.068 10.580 10.032 1.00 0.00 C ATOM 705 C GLU A 45 5.940 9.494 9.366 1.00 0.00 C ATOM 706 O GLU A 45 6.964 9.817 8.783 1.00 0.00 O ATOM 707 CB GLU A 45 5.436 10.737 11.529 1.00 0.00 C ATOM 708 CG GLU A 45 5.108 9.512 12.410 1.00 0.00 C ATOM 709 CD GLU A 45 5.661 9.642 13.833 1.00 0.00 C ATOM 710 OE1 GLU A 45 4.963 10.194 14.707 1.00 0.00 O ATOM 711 OE2 GLU A 45 6.811 9.221 14.072 1.00 0.00 O ATOM 0 H GLU A 45 3.156 10.116 10.768 1.00 0.00 H new ATOM 0 HA GLU A 45 5.272 11.521 9.520 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.503 10.947 11.606 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.911 11.605 11.928 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.027 9.381 12.455 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.518 8.615 11.946 1.00 0.00 H new ATOM 718 N LYS A 46 5.504 8.218 9.448 1.00 0.00 N ATOM 719 CA LYS A 46 6.236 7.062 8.878 1.00 0.00 C ATOM 720 C LYS A 46 6.018 6.985 7.357 1.00 0.00 C ATOM 721 O LYS A 46 6.941 6.670 6.601 1.00 0.00 O ATOM 722 CB LYS A 46 5.784 5.743 9.573 1.00 0.00 C ATOM 723 CG LYS A 46 6.512 4.427 9.148 1.00 0.00 C ATOM 724 CD LYS A 46 8.027 4.348 9.534 1.00 0.00 C ATOM 725 CE LYS A 46 8.976 4.951 8.474 1.00 0.00 C ATOM 726 NZ LYS A 46 10.400 4.882 8.888 1.00 0.00 N ATOM 0 H LYS A 46 4.633 7.959 9.912 1.00 0.00 H new ATOM 0 HA LYS A 46 7.302 7.197 9.060 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.911 5.867 10.648 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.717 5.613 9.391 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.994 3.582 9.601 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.423 4.314 8.068 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.178 4.868 10.480 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.296 3.304 9.697 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.848 4.420 7.531 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.702 5.991 8.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.914 5.698 8.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.461 4.897 9.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.824 4.003 8.529 1.00 0.00 H new ATOM 740 N LEU A 47 4.783 7.275 6.936 1.00 0.00 N ATOM 741 CA LEU A 47 4.403 7.400 5.516 1.00 0.00 C ATOM 742 C LEU A 47 5.245 8.485 4.808 1.00 0.00 C ATOM 743 O LEU A 47 5.866 8.239 3.758 1.00 0.00 O ATOM 744 CB LEU A 47 2.891 7.742 5.456 1.00 0.00 C ATOM 745 CG LEU A 47 1.923 6.551 5.703 1.00 0.00 C ATOM 746 CD1 LEU A 47 0.480 7.036 5.985 1.00 0.00 C ATOM 747 CD2 LEU A 47 1.975 5.565 4.505 1.00 0.00 C ATOM 0 H LEU A 47 4.005 7.433 7.577 1.00 0.00 H new ATOM 0 HA LEU A 47 4.596 6.462 4.995 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.682 8.516 6.195 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.672 8.168 4.477 1.00 0.00 H new ATOM 0 HG LEU A 47 2.252 6.021 6.596 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.167 6.175 6.153 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.476 7.671 6.871 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.114 7.604 5.130 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.293 4.734 4.688 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.678 6.084 3.594 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.990 5.184 4.391 1.00 0.00 H new ATOM 759 N ALA A 48 5.278 9.670 5.439 1.00 0.00 N ATOM 760 CA ALA A 48 6.002 10.846 4.945 1.00 0.00 C ATOM 761 C ALA A 48 7.511 10.612 4.971 1.00 0.00 C ATOM 762 O ALA A 48 8.202 11.014 4.048 1.00 0.00 O ATOM 763 CB ALA A 48 5.644 12.076 5.781 1.00 0.00 C ATOM 0 H ALA A 48 4.794 9.837 6.321 1.00 0.00 H new ATOM 0 HA ALA A 48 5.703 11.019 3.911 1.00 0.00 H new ATOM 0 HB1 ALA A 48 6.188 12.943 5.405 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.572 12.263 5.713 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.917 11.901 6.822 1.00 0.00 H new ATOM 769 N ASP A 49 7.984 9.942 6.045 1.00 0.00 N ATOM 770 CA ASP A 49 9.408 9.592 6.233 1.00 0.00 C ATOM 771 C ASP A 49 9.898 8.700 5.095 1.00 0.00 C ATOM 772 O ASP A 49 10.945 8.968 4.520 1.00 0.00 O ATOM 773 CB ASP A 49 9.622 8.863 7.583 1.00 0.00 C ATOM 774 CG ASP A 49 11.082 8.435 7.831 1.00 0.00 C ATOM 775 OD1 ASP A 49 11.894 9.282 8.254 1.00 0.00 O ATOM 776 OD2 ASP A 49 11.430 7.254 7.586 1.00 0.00 O ATOM 0 H ASP A 49 7.385 9.628 6.809 1.00 0.00 H new ATOM 0 HA ASP A 49 9.980 10.520 6.234 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.302 9.517 8.394 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.983 7.980 7.614 1.00 0.00 H new ATOM 781 N PHE A 50 9.095 7.665 4.776 1.00 0.00 N ATOM 782 CA PHE A 50 9.415 6.663 3.746 1.00 0.00 C ATOM 783 C PHE A 50 9.654 7.351 2.394 1.00 0.00 C ATOM 784 O PHE A 50 10.620 7.051 1.680 1.00 0.00 O ATOM 785 CB PHE A 50 8.248 5.649 3.645 1.00 0.00 C ATOM 786 CG PHE A 50 8.514 4.456 2.720 1.00 0.00 C ATOM 787 CD1 PHE A 50 9.406 3.453 3.103 1.00 0.00 C ATOM 788 CD2 PHE A 50 7.873 4.329 1.485 1.00 0.00 C ATOM 789 CE1 PHE A 50 9.643 2.365 2.287 1.00 0.00 C ATOM 790 CE2 PHE A 50 8.118 3.240 0.673 1.00 0.00 C ATOM 791 CZ PHE A 50 9.000 2.258 1.072 1.00 0.00 C ATOM 0 H PHE A 50 8.198 7.502 5.232 1.00 0.00 H new ATOM 0 HA PHE A 50 10.327 6.133 4.021 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.023 5.274 4.643 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.359 6.173 3.293 1.00 0.00 H new ATOM 0 HD1 PHE A 50 9.918 3.529 4.051 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.179 5.091 1.162 1.00 0.00 H new ATOM 0 HE1 PHE A 50 10.333 1.596 2.601 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.616 3.157 -0.280 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.187 1.407 0.434 1.00 0.00 H new ATOM 801 N LEU A 51 8.765 8.303 2.092 1.00 0.00 N ATOM 802 CA LEU A 51 8.817 9.101 0.857 1.00 0.00 C ATOM 803 C LEU A 51 9.894 10.202 0.919 1.00 0.00 C ATOM 804 O LEU A 51 10.378 10.630 -0.114 1.00 0.00 O ATOM 805 CB LEU A 51 7.428 9.719 0.604 1.00 0.00 C ATOM 806 CG LEU A 51 6.269 8.685 0.451 1.00 0.00 C ATOM 807 CD1 LEU A 51 4.905 9.384 0.362 1.00 0.00 C ATOM 808 CD2 LEU A 51 6.499 7.761 -0.765 1.00 0.00 C ATOM 0 H LEU A 51 7.983 8.545 2.700 1.00 0.00 H new ATOM 0 HA LEU A 51 9.091 8.442 0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.190 10.391 1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.475 10.327 -0.300 1.00 0.00 H new ATOM 0 HG LEU A 51 6.265 8.063 1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.119 8.636 0.256 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.734 9.964 1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.892 10.048 -0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.675 7.052 -0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.550 8.361 -1.673 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.435 7.217 -0.636 1.00 0.00 H new ATOM 820 N SER A 52 10.245 10.653 2.134 1.00 0.00 N ATOM 821 CA SER A 52 11.242 11.726 2.349 1.00 0.00 C ATOM 822 C SER A 52 12.679 11.174 2.239 1.00 0.00 C ATOM 823 O SER A 52 13.627 11.942 2.014 1.00 0.00 O ATOM 824 CB SER A 52 11.023 12.393 3.727 1.00 0.00 C ATOM 825 OG SER A 52 11.870 13.514 3.909 1.00 0.00 O ATOM 0 H SER A 52 9.848 10.287 2.999 1.00 0.00 H new ATOM 0 HA SER A 52 11.108 12.477 1.571 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.983 12.705 3.819 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.209 11.665 4.517 1.00 0.00 H new ATOM 0 HG SER A 52 11.703 13.911 4.789 1.00 0.00 H new ATOM 831 N GLN A 53 12.826 9.836 2.417 1.00 0.00 N ATOM 832 CA GLN A 53 14.112 9.122 2.235 1.00 0.00 C ATOM 833 C GLN A 53 14.613 9.304 0.793 1.00 0.00 C ATOM 834 O GLN A 53 15.786 9.607 0.556 1.00 0.00 O ATOM 835 CB GLN A 53 13.945 7.604 2.556 1.00 0.00 C ATOM 836 CG GLN A 53 13.544 7.290 4.012 1.00 0.00 C ATOM 837 CD GLN A 53 14.521 7.817 5.070 1.00 0.00 C ATOM 838 OE1 GLN A 53 15.727 7.890 4.851 1.00 0.00 O ATOM 839 NE2 GLN A 53 14.005 8.214 6.217 1.00 0.00 N ATOM 0 H GLN A 53 12.057 9.225 2.690 1.00 0.00 H new ATOM 0 HA GLN A 53 14.845 9.543 2.923 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.191 7.187 1.889 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.883 7.095 2.335 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.558 7.714 4.203 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.454 6.210 4.125 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.000 8.143 6.376 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.611 8.592 6.945 1.00 0.00 H new ATOM 848 N HIS A 54 13.674 9.128 -0.146 1.00 0.00 N ATOM 849 CA HIS A 54 13.867 9.278 -1.589 1.00 0.00 C ATOM 850 C HIS A 54 12.495 9.638 -2.153 1.00 0.00 C ATOM 851 O HIS A 54 11.565 8.858 -2.044 1.00 0.00 O ATOM 852 CB HIS A 54 14.409 7.974 -2.279 1.00 0.00 C ATOM 853 CG HIS A 54 15.891 7.704 -2.090 1.00 0.00 C ATOM 854 ND1 HIS A 54 16.848 8.094 -3.003 1.00 0.00 N ATOM 855 CD2 HIS A 54 16.573 7.081 -1.096 1.00 0.00 C ATOM 856 CE1 HIS A 54 18.037 7.729 -2.579 1.00 0.00 C ATOM 857 NE2 HIS A 54 17.899 7.114 -1.425 1.00 0.00 N ATOM 0 H HIS A 54 12.718 8.866 0.093 1.00 0.00 H new ATOM 0 HA HIS A 54 14.620 10.042 -1.784 1.00 0.00 H new ATOM 0 HB2 HIS A 54 13.850 7.121 -1.895 1.00 0.00 H new ATOM 0 HB3 HIS A 54 14.202 8.036 -3.347 1.00 0.00 H new ATOM 0 HD2 HIS A 54 16.146 6.640 -0.207 1.00 0.00 H new ATOM 0 HE1 HIS A 54 18.971 7.905 -3.092 1.00 0.00 H new ATOM 0 HE2 HIS A 54 18.658 6.725 -0.866 1.00 0.00 H new ATOM 866 N LYS A 55 12.341 10.847 -2.675 1.00 0.00 N ATOM 867 CA LYS A 55 11.094 11.262 -3.364 1.00 0.00 C ATOM 868 C LYS A 55 11.087 10.800 -4.837 1.00 0.00 C ATOM 869 O LYS A 55 10.146 11.091 -5.575 1.00 0.00 O ATOM 870 CB LYS A 55 10.900 12.799 -3.227 1.00 0.00 C ATOM 871 CG LYS A 55 10.744 13.272 -1.759 1.00 0.00 C ATOM 872 CD LYS A 55 10.473 14.787 -1.612 1.00 0.00 C ATOM 873 CE LYS A 55 9.193 15.248 -2.323 1.00 0.00 C ATOM 874 NZ LYS A 55 8.961 16.709 -2.162 1.00 0.00 N ATOM 0 H LYS A 55 13.059 11.571 -2.642 1.00 0.00 H new ATOM 0 HA LYS A 55 10.246 10.774 -2.885 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.754 13.307 -3.676 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.018 13.098 -3.793 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.926 12.720 -1.295 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.651 13.020 -1.209 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.401 15.035 -0.553 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.322 15.341 -2.012 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.260 15.006 -3.384 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.339 14.699 -1.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.087 16.978 -2.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.871 16.937 -1.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.763 17.234 -2.565 1.00 0.00 H new ATOM 888 N ASP A 56 12.132 10.040 -5.241 1.00 0.00 N ATOM 889 CA ASP A 56 12.320 9.574 -6.628 1.00 0.00 C ATOM 890 C ASP A 56 12.025 8.066 -6.794 1.00 0.00 C ATOM 891 O ASP A 56 12.198 7.535 -7.898 1.00 0.00 O ATOM 892 CB ASP A 56 13.766 9.908 -7.100 1.00 0.00 C ATOM 893 CG ASP A 56 14.006 11.420 -7.239 1.00 0.00 C ATOM 894 OD1 ASP A 56 14.247 12.100 -6.214 1.00 0.00 O ATOM 895 OD2 ASP A 56 13.923 11.941 -8.367 1.00 0.00 O ATOM 0 H ASP A 56 12.870 9.733 -4.607 1.00 0.00 H new ATOM 0 HA ASP A 56 11.599 10.100 -7.254 1.00 0.00 H new ATOM 0 HB2 ASP A 56 14.481 9.494 -6.389 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.953 9.424 -8.059 1.00 0.00 H new ATOM 900 N LYS A 57 11.576 7.356 -5.728 1.00 0.00 N ATOM 901 CA LYS A 57 11.139 5.938 -5.875 1.00 0.00 C ATOM 902 C LYS A 57 9.600 5.882 -5.916 1.00 0.00 C ATOM 903 O LYS A 57 8.914 6.655 -5.224 1.00 0.00 O ATOM 904 CB LYS A 57 11.742 4.984 -4.783 1.00 0.00 C ATOM 905 CG LYS A 57 10.952 4.800 -3.456 1.00 0.00 C ATOM 906 CD LYS A 57 10.994 6.036 -2.550 1.00 0.00 C ATOM 907 CE LYS A 57 10.262 5.856 -1.218 1.00 0.00 C ATOM 908 NZ LYS A 57 10.856 4.787 -0.385 1.00 0.00 N ATOM 0 H LYS A 57 11.507 7.727 -4.780 1.00 0.00 H new ATOM 0 HA LYS A 57 11.535 5.561 -6.818 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.871 4.000 -5.234 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.737 5.352 -4.531 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.914 4.564 -3.689 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.359 3.947 -2.914 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.034 6.292 -2.349 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.555 6.880 -3.083 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.282 6.796 -0.666 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.215 5.622 -1.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.143 4.052 -0.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.666 4.368 -0.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 11.177 5.189 0.519 1.00 0.00 H new ATOM 922 N LYS A 58 9.073 4.995 -6.768 1.00 0.00 N ATOM 923 CA LYS A 58 7.635 4.858 -7.006 1.00 0.00 C ATOM 924 C LYS A 58 7.034 3.911 -5.962 1.00 0.00 C ATOM 925 O LYS A 58 7.527 2.797 -5.786 1.00 0.00 O ATOM 926 CB LYS A 58 7.371 4.340 -8.433 1.00 0.00 C ATOM 927 CG LYS A 58 5.891 4.455 -8.861 1.00 0.00 C ATOM 928 CD LYS A 58 5.704 4.400 -10.388 1.00 0.00 C ATOM 929 CE LYS A 58 6.241 3.108 -11.027 1.00 0.00 C ATOM 930 NZ LYS A 58 5.908 3.036 -12.470 1.00 0.00 N ATOM 0 H LYS A 58 9.639 4.347 -7.316 1.00 0.00 H new ATOM 0 HA LYS A 58 7.160 5.835 -6.913 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.990 4.899 -9.135 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.680 3.297 -8.496 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.321 3.648 -8.401 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.480 5.391 -8.483 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.643 4.497 -10.620 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.208 5.255 -10.839 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.322 3.060 -10.899 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.821 2.244 -10.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.541 2.089 -12.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.186 3.749 -12.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.763 3.219 -13.033 1.00 0.00 H new ATOM 944 N VAL A 59 5.976 4.360 -5.273 1.00 0.00 N ATOM 945 CA VAL A 59 5.401 3.632 -4.126 1.00 0.00 C ATOM 946 C VAL A 59 3.919 3.325 -4.356 1.00 0.00 C ATOM 947 O VAL A 59 3.192 4.140 -4.932 1.00 0.00 O ATOM 948 CB VAL A 59 5.601 4.454 -2.801 1.00 0.00 C ATOM 949 CG1 VAL A 59 4.930 3.783 -1.582 1.00 0.00 C ATOM 950 CG2 VAL A 59 7.107 4.674 -2.537 1.00 0.00 C ATOM 0 H VAL A 59 5.495 5.233 -5.491 1.00 0.00 H new ATOM 0 HA VAL A 59 5.926 2.682 -4.027 1.00 0.00 H new ATOM 0 HB VAL A 59 5.112 5.418 -2.940 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.098 4.391 -0.693 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.859 3.691 -1.761 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.359 2.792 -1.430 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.236 5.244 -1.617 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.604 3.709 -2.438 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.546 5.224 -3.369 1.00 0.00 H new ATOM 960 N LEU A 60 3.498 2.130 -3.901 1.00 0.00 N ATOM 961 CA LEU A 60 2.111 1.672 -3.969 1.00 0.00 C ATOM 962 C LEU A 60 1.640 1.235 -2.568 1.00 0.00 C ATOM 963 O LEU A 60 1.953 0.133 -2.112 1.00 0.00 O ATOM 964 CB LEU A 60 2.004 0.499 -4.968 1.00 0.00 C ATOM 965 CG LEU A 60 0.577 -0.080 -5.198 1.00 0.00 C ATOM 966 CD1 LEU A 60 -0.362 0.970 -5.820 1.00 0.00 C ATOM 967 CD2 LEU A 60 0.638 -1.343 -6.067 1.00 0.00 C ATOM 0 H LEU A 60 4.126 1.451 -3.471 1.00 0.00 H new ATOM 0 HA LEU A 60 1.472 2.485 -4.313 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.398 0.830 -5.929 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.649 -0.308 -4.620 1.00 0.00 H new ATOM 0 HG LEU A 60 0.167 -0.353 -4.225 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.350 0.533 -5.967 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.441 1.828 -5.153 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.039 1.293 -6.781 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.370 -1.731 -6.215 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.079 -1.099 -7.033 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.248 -2.097 -5.570 1.00 0.00 H new ATOM 979 N LEU A 61 0.917 2.127 -1.885 1.00 0.00 N ATOM 980 CA LEU A 61 0.329 1.855 -0.565 1.00 0.00 C ATOM 981 C LEU A 61 -0.880 0.903 -0.739 1.00 0.00 C ATOM 982 O LEU A 61 -1.925 1.341 -1.180 1.00 0.00 O ATOM 983 CB LEU A 61 -0.108 3.205 0.096 1.00 0.00 C ATOM 984 CG LEU A 61 0.965 4.354 0.128 1.00 0.00 C ATOM 985 CD1 LEU A 61 0.391 5.648 0.746 1.00 0.00 C ATOM 986 CD2 LEU A 61 2.244 3.928 0.876 1.00 0.00 C ATOM 0 H LEU A 61 0.720 3.066 -2.233 1.00 0.00 H new ATOM 0 HA LEU A 61 1.060 1.376 0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.987 3.574 -0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.416 2.998 1.121 1.00 0.00 H new ATOM 0 HG LEU A 61 1.234 4.557 -0.909 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.160 6.421 0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.460 5.987 0.155 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.067 5.451 1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.958 4.752 0.874 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.994 3.667 1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.685 3.064 0.379 1.00 0.00 H new ATOM 998 N HIS A 62 -0.722 -0.407 -0.461 1.00 0.00 N ATOM 999 CA HIS A 62 -1.817 -1.398 -0.660 1.00 0.00 C ATOM 1000 C HIS A 62 -2.609 -1.626 0.652 1.00 0.00 C ATOM 1001 O HIS A 62 -2.017 -1.689 1.741 1.00 0.00 O ATOM 1002 CB HIS A 62 -1.265 -2.748 -1.218 1.00 0.00 C ATOM 1003 CG HIS A 62 -0.746 -3.720 -0.180 1.00 0.00 C ATOM 1004 ND1 HIS A 62 -1.547 -4.663 0.417 1.00 0.00 N ATOM 1005 CD2 HIS A 62 0.474 -3.881 0.376 1.00 0.00 C ATOM 1006 CE1 HIS A 62 -0.843 -5.352 1.286 1.00 0.00 C ATOM 1007 NE2 HIS A 62 0.385 -4.902 1.280 1.00 0.00 N ATOM 0 H HIS A 62 0.144 -0.808 -0.100 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.503 -0.986 -1.400 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.057 -3.238 -1.785 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.460 -2.529 -1.919 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.360 -3.307 0.148 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.216 -6.156 1.903 1.00 0.00 H new ATOM 0 HE2 HIS A 62 1.150 -5.255 1.855 1.00 0.00 H new ATOM 1016 N CYS A 63 -3.945 -1.776 0.532 1.00 0.00 N ATOM 1017 CA CYS A 63 -4.863 -1.958 1.696 1.00 0.00 C ATOM 1018 C CYS A 63 -5.670 -3.266 1.623 1.00 0.00 C ATOM 1019 O CYS A 63 -5.751 -3.903 0.568 1.00 0.00 O ATOM 1020 CB CYS A 63 -5.810 -0.761 1.811 1.00 0.00 C ATOM 1021 SG CYS A 63 -7.106 -0.911 3.063 1.00 0.00 S ATOM 0 H CYS A 63 -4.425 -1.776 -0.368 1.00 0.00 H new ATOM 0 HA CYS A 63 -4.237 -2.022 2.586 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.219 0.128 2.030 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.282 -0.599 0.842 1.00 0.00 H new ATOM 0 HG CYS A 63 -6.577 -1.273 4.194 1.00 0.00 H new ATOM 1027 N ARG A 64 -6.172 -3.683 2.812 1.00 0.00 N ATOM 1028 CA ARG A 64 -7.079 -4.841 2.999 1.00 0.00 C ATOM 1029 C ARG A 64 -8.334 -4.714 2.092 1.00 0.00 C ATOM 1030 O ARG A 64 -8.719 -5.674 1.428 1.00 0.00 O ATOM 1031 CB ARG A 64 -7.485 -4.942 4.513 1.00 0.00 C ATOM 1032 CG ARG A 64 -7.849 -6.348 5.057 1.00 0.00 C ATOM 1033 CD ARG A 64 -9.129 -6.950 4.471 1.00 0.00 C ATOM 1034 NE ARG A 64 -10.316 -6.101 4.699 1.00 0.00 N ATOM 1035 CZ ARG A 64 -11.371 -6.004 3.874 1.00 0.00 C ATOM 1036 NH1 ARG A 64 -11.356 -6.560 2.671 1.00 0.00 N ATOM 1037 NH2 ARG A 64 -12.424 -5.293 4.237 1.00 0.00 N ATOM 0 H ARG A 64 -5.951 -3.211 3.689 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.559 -5.754 2.709 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.661 -4.552 5.110 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.338 -4.284 4.678 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.020 -7.026 4.856 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.955 -6.287 6.140 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.997 -7.102 3.400 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.299 -7.932 4.913 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.336 -5.543 5.553 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.533 -7.073 2.357 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.168 -6.475 2.060 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.433 -4.820 5.141 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -13.227 -5.217 3.613 1.00 0.00 H new ATOM 1051 N ALA A 65 -8.980 -3.533 2.113 1.00 0.00 N ATOM 1052 CA ALA A 65 -10.173 -3.236 1.273 1.00 0.00 C ATOM 1053 C ALA A 65 -9.835 -2.162 0.236 1.00 0.00 C ATOM 1054 O ALA A 65 -10.179 -2.273 -0.947 1.00 0.00 O ATOM 1055 CB ALA A 65 -11.350 -2.761 2.149 1.00 0.00 C ATOM 0 H ALA A 65 -8.697 -2.755 2.708 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.466 -4.152 0.759 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.212 -2.549 1.516 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.608 -3.541 2.865 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.063 -1.857 2.685 1.00 0.00 H new ATOM 1061 N GLY A 66 -9.158 -1.118 0.716 1.00 0.00 N ATOM 1062 CA GLY A 66 -8.811 0.037 -0.093 1.00 0.00 C ATOM 1063 C GLY A 66 -8.734 1.298 0.750 1.00 0.00 C ATOM 1064 O GLY A 66 -7.885 2.145 0.513 1.00 0.00 O ATOM 0 H GLY A 66 -8.836 -1.056 1.682 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.853 -0.134 -0.583 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.553 0.168 -0.881 1.00 0.00 H new ATOM 1068 N ARG A 67 -9.609 1.399 1.772 1.00 0.00 N ATOM 1069 CA ARG A 67 -9.766 2.630 2.585 1.00 0.00 C ATOM 1070 C ARG A 67 -8.441 3.137 3.185 1.00 0.00 C ATOM 1071 O ARG A 67 -8.180 4.336 3.149 1.00 0.00 O ATOM 1072 CB ARG A 67 -10.828 2.443 3.705 1.00 0.00 C ATOM 1073 CG ARG A 67 -11.063 3.715 4.567 1.00 0.00 C ATOM 1074 CD ARG A 67 -11.502 4.945 3.724 1.00 0.00 C ATOM 1075 NE ARG A 67 -11.051 6.215 4.317 1.00 0.00 N ATOM 1076 CZ ARG A 67 -11.217 7.424 3.768 1.00 0.00 C ATOM 1077 NH1 ARG A 67 -11.976 7.581 2.691 1.00 0.00 N ATOM 1078 NH2 ARG A 67 -10.645 8.486 4.318 1.00 0.00 N ATOM 0 H ARG A 67 -10.224 0.637 2.058 1.00 0.00 H new ATOM 0 HA ARG A 67 -10.115 3.396 1.892 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -11.773 2.144 3.251 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.515 1.627 4.356 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -11.826 3.504 5.317 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -10.146 3.958 5.105 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -11.100 4.854 2.715 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -12.588 4.953 3.635 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.574 6.170 5.218 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.441 6.775 2.273 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -12.095 8.508 2.282 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.078 8.382 5.160 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.772 9.408 3.899 1.00 0.00 H new ATOM 1092 N ARG A 68 -7.614 2.220 3.701 1.00 0.00 N ATOM 1093 CA ARG A 68 -6.333 2.586 4.339 1.00 0.00 C ATOM 1094 C ARG A 68 -5.316 3.087 3.299 1.00 0.00 C ATOM 1095 O ARG A 68 -4.494 3.935 3.607 1.00 0.00 O ATOM 1096 CB ARG A 68 -5.726 1.391 5.103 1.00 0.00 C ATOM 1097 CG ARG A 68 -6.641 0.744 6.148 1.00 0.00 C ATOM 1098 CD ARG A 68 -7.212 1.730 7.175 1.00 0.00 C ATOM 1099 NE ARG A 68 -7.740 1.042 8.370 1.00 0.00 N ATOM 1100 CZ ARG A 68 -7.923 1.605 9.578 1.00 0.00 C ATOM 1101 NH1 ARG A 68 -7.690 2.899 9.778 1.00 0.00 N ATOM 1102 NH2 ARG A 68 -8.357 0.866 10.585 1.00 0.00 N ATOM 0 H ARG A 68 -7.804 1.218 3.692 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.549 3.388 5.045 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.434 0.630 4.379 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -4.815 1.724 5.600 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.467 0.250 5.636 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.083 -0.030 6.675 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.434 2.432 7.475 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.007 2.315 6.713 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.987 0.057 8.271 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.366 3.484 9.008 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.835 3.306 10.702 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.551 -0.125 10.444 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.498 1.287 11.503 1.00 0.00 H new ATOM 1116 N ALA A 69 -5.395 2.522 2.082 1.00 0.00 N ATOM 1117 CA ALA A 69 -4.513 2.875 0.956 1.00 0.00 C ATOM 1118 C ALA A 69 -4.783 4.303 0.504 1.00 0.00 C ATOM 1119 O ALA A 69 -3.864 5.128 0.441 1.00 0.00 O ATOM 1120 CB ALA A 69 -4.713 1.888 -0.201 1.00 0.00 C ATOM 0 H ALA A 69 -6.079 1.801 1.850 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.476 2.812 1.284 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.056 2.159 -1.028 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.475 0.879 0.136 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.750 1.924 -0.535 1.00 0.00 H new ATOM 1126 N LEU A 70 -6.066 4.560 0.196 1.00 0.00 N ATOM 1127 CA LEU A 70 -6.589 5.894 -0.103 1.00 0.00 C ATOM 1128 C LEU A 70 -6.180 6.900 0.979 1.00 0.00 C ATOM 1129 O LEU A 70 -5.432 7.819 0.697 1.00 0.00 O ATOM 1130 CB LEU A 70 -8.135 5.820 -0.222 1.00 0.00 C ATOM 1131 CG LEU A 70 -8.879 7.174 -0.462 1.00 0.00 C ATOM 1132 CD1 LEU A 70 -8.503 7.807 -1.824 1.00 0.00 C ATOM 1133 CD2 LEU A 70 -10.407 6.995 -0.324 1.00 0.00 C ATOM 0 H LEU A 70 -6.777 3.830 0.148 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.168 6.237 -1.048 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.383 5.144 -1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.527 5.372 0.691 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.551 7.869 0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.042 8.746 -1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.430 7.998 -1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.771 7.123 -2.629 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.902 7.951 -0.495 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.756 6.269 -1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.643 6.639 0.679 1.00 0.00 H new ATOM 1145 N ASP A 71 -6.603 6.621 2.226 1.00 0.00 N ATOM 1146 CA ASP A 71 -6.477 7.536 3.389 1.00 0.00 C ATOM 1147 C ASP A 71 -5.014 7.940 3.642 1.00 0.00 C ATOM 1148 O ASP A 71 -4.708 9.128 3.861 1.00 0.00 O ATOM 1149 CB ASP A 71 -7.076 6.838 4.642 1.00 0.00 C ATOM 1150 CG ASP A 71 -7.183 7.732 5.895 1.00 0.00 C ATOM 1151 OD1 ASP A 71 -8.135 8.537 5.972 1.00 0.00 O ATOM 1152 OD2 ASP A 71 -6.358 7.597 6.826 1.00 0.00 O ATOM 0 H ASP A 71 -7.052 5.737 2.464 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.026 8.453 3.175 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -8.070 6.467 4.393 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.463 5.970 4.884 1.00 0.00 H new ATOM 1157 N ALA A 72 -4.128 6.927 3.589 1.00 0.00 N ATOM 1158 CA ALA A 72 -2.678 7.103 3.743 1.00 0.00 C ATOM 1159 C ALA A 72 -2.120 8.028 2.654 1.00 0.00 C ATOM 1160 O ALA A 72 -1.466 9.035 2.953 1.00 0.00 O ATOM 1161 CB ALA A 72 -1.980 5.737 3.705 1.00 0.00 C ATOM 0 H ALA A 72 -4.405 5.957 3.437 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.484 7.571 4.708 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.905 5.874 3.820 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.355 5.114 4.517 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.184 5.251 2.751 1.00 0.00 H new ATOM 1167 N ALA A 73 -2.449 7.705 1.392 1.00 0.00 N ATOM 1168 CA ALA A 73 -1.965 8.449 0.225 1.00 0.00 C ATOM 1169 C ALA A 73 -2.509 9.886 0.203 1.00 0.00 C ATOM 1170 O ALA A 73 -1.802 10.777 -0.257 1.00 0.00 O ATOM 1171 CB ALA A 73 -2.309 7.702 -1.067 1.00 0.00 C ATOM 0 H ALA A 73 -3.057 6.921 1.156 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.880 8.521 0.299 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.943 8.268 -1.923 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.840 6.718 -1.055 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.390 7.587 -1.144 1.00 0.00 H new ATOM 1177 N LYS A 74 -3.742 10.109 0.737 1.00 0.00 N ATOM 1178 CA LYS A 74 -4.355 11.460 0.799 1.00 0.00 C ATOM 1179 C LYS A 74 -3.466 12.368 1.627 1.00 0.00 C ATOM 1180 O LYS A 74 -3.003 13.381 1.122 1.00 0.00 O ATOM 1181 CB LYS A 74 -5.805 11.454 1.383 1.00 0.00 C ATOM 1182 CG LYS A 74 -6.799 10.519 0.652 1.00 0.00 C ATOM 1183 CD LYS A 74 -8.282 10.903 0.834 1.00 0.00 C ATOM 1184 CE LYS A 74 -8.655 12.162 0.043 1.00 0.00 C ATOM 1185 NZ LYS A 74 -10.082 12.520 0.199 1.00 0.00 N ATOM 0 H LYS A 74 -4.327 9.371 1.129 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.438 11.827 -0.224 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.757 11.161 2.432 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.197 12.471 1.354 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.564 10.519 -0.412 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.653 9.500 1.011 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.912 10.074 0.513 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.486 11.067 1.892 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.035 12.995 0.376 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.436 12.003 -1.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.287 13.377 -0.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.676 11.737 -0.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.288 12.698 1.203 1.00 0.00 H new ATOM 1199 N SER A 75 -3.164 11.909 2.853 1.00 0.00 N ATOM 1200 CA SER A 75 -2.326 12.628 3.827 1.00 0.00 C ATOM 1201 C SER A 75 -0.966 13.048 3.220 1.00 0.00 C ATOM 1202 O SER A 75 -0.525 14.179 3.397 1.00 0.00 O ATOM 1203 CB SER A 75 -2.119 11.726 5.061 1.00 0.00 C ATOM 1204 OG SER A 75 -3.362 11.306 5.603 1.00 0.00 O ATOM 0 H SER A 75 -3.502 11.012 3.201 1.00 0.00 H new ATOM 0 HA SER A 75 -2.835 13.547 4.118 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.527 10.854 4.782 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.552 12.267 5.819 1.00 0.00 H new ATOM 0 HG SER A 75 -3.703 10.544 5.089 1.00 0.00 H new ATOM 1210 N MET A 76 -0.342 12.118 2.477 1.00 0.00 N ATOM 1211 CA MET A 76 0.964 12.342 1.820 1.00 0.00 C ATOM 1212 C MET A 76 0.866 13.368 0.670 1.00 0.00 C ATOM 1213 O MET A 76 1.746 14.219 0.521 1.00 0.00 O ATOM 1214 CB MET A 76 1.534 10.986 1.332 1.00 0.00 C ATOM 1215 CG MET A 76 2.090 10.075 2.450 1.00 0.00 C ATOM 1216 SD MET A 76 0.998 9.913 3.884 1.00 0.00 S ATOM 1217 CE MET A 76 1.664 11.112 5.041 1.00 0.00 C ATOM 0 H MET A 76 -0.727 11.188 2.313 1.00 0.00 H new ATOM 0 HA MET A 76 1.650 12.771 2.550 1.00 0.00 H new ATOM 0 HB2 MET A 76 0.748 10.448 0.802 1.00 0.00 H new ATOM 0 HB3 MET A 76 2.329 11.180 0.612 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.278 9.084 2.036 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.051 10.470 2.781 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.259 10.923 6.035 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.750 11.026 5.070 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.388 12.117 4.722 1.00 0.00 H new ATOM 1227 N HIS A 77 -0.213 13.278 -0.128 1.00 0.00 N ATOM 1228 CA HIS A 77 -0.513 14.248 -1.206 1.00 0.00 C ATOM 1229 C HIS A 77 -0.820 15.662 -0.652 1.00 0.00 C ATOM 1230 O HIS A 77 -0.598 16.661 -1.347 1.00 0.00 O ATOM 1231 CB HIS A 77 -1.672 13.722 -2.094 1.00 0.00 C ATOM 1232 CG HIS A 77 -1.275 12.699 -3.138 1.00 0.00 C ATOM 1233 ND1 HIS A 77 -1.224 12.997 -4.475 1.00 0.00 N ATOM 1234 CD2 HIS A 77 -0.976 11.377 -3.054 1.00 0.00 C ATOM 1235 CE1 HIS A 77 -0.927 11.918 -5.162 1.00 0.00 C ATOM 1236 NE2 HIS A 77 -0.771 10.922 -4.326 1.00 0.00 N ATOM 0 H HIS A 77 -0.904 12.532 -0.047 1.00 0.00 H new ATOM 0 HA HIS A 77 0.380 14.346 -1.823 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.431 13.282 -1.448 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -2.135 14.570 -2.598 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.912 10.793 -2.148 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -0.828 11.861 -6.236 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -0.535 9.963 -4.583 1.00 0.00 H new ATOM 1245 N GLU A 78 -1.318 15.728 0.599 1.00 0.00 N ATOM 1246 CA GLU A 78 -1.557 16.998 1.318 1.00 0.00 C ATOM 1247 C GLU A 78 -0.235 17.613 1.804 1.00 0.00 C ATOM 1248 O GLU A 78 -0.131 18.831 1.972 1.00 0.00 O ATOM 1249 CB GLU A 78 -2.518 16.753 2.506 1.00 0.00 C ATOM 1250 CG GLU A 78 -3.876 16.154 2.093 1.00 0.00 C ATOM 1251 CD GLU A 78 -4.711 17.089 1.203 1.00 0.00 C ATOM 1252 OE1 GLU A 78 -5.402 17.977 1.741 1.00 0.00 O ATOM 1253 OE2 GLU A 78 -4.676 16.949 -0.041 1.00 0.00 O ATOM 0 H GLU A 78 -1.567 14.901 1.141 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.018 17.707 0.631 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.037 16.082 3.218 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.690 17.697 3.023 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.705 15.217 1.563 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.446 15.913 2.990 1.00 0.00 H new ATOM 1260 N LEU A 79 0.765 16.746 2.048 1.00 0.00 N ATOM 1261 CA LEU A 79 2.144 17.180 2.369 1.00 0.00 C ATOM 1262 C LEU A 79 2.918 17.564 1.093 1.00 0.00 C ATOM 1263 O LEU A 79 3.978 18.190 1.171 1.00 0.00 O ATOM 1264 CB LEU A 79 2.902 16.066 3.129 1.00 0.00 C ATOM 1265 CG LEU A 79 2.216 15.543 4.424 1.00 0.00 C ATOM 1266 CD1 LEU A 79 3.052 14.451 5.101 1.00 0.00 C ATOM 1267 CD2 LEU A 79 1.899 16.685 5.420 1.00 0.00 C ATOM 0 H LEU A 79 0.646 15.733 2.029 1.00 0.00 H new ATOM 0 HA LEU A 79 2.074 18.061 3.007 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.047 15.224 2.452 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.892 16.439 3.390 1.00 0.00 H new ATOM 0 HG LEU A 79 1.267 15.104 4.117 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.543 14.109 6.002 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.179 13.613 4.416 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.029 14.854 5.367 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.421 16.271 6.308 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.824 17.186 5.706 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.228 17.403 4.948 1.00 0.00 H new ATOM 1279 N GLY A 80 2.389 17.152 -0.075 1.00 0.00 N ATOM 1280 CA GLY A 80 2.956 17.509 -1.378 1.00 0.00 C ATOM 1281 C GLY A 80 3.473 16.309 -2.151 1.00 0.00 C ATOM 1282 O GLY A 80 3.691 16.416 -3.364 1.00 0.00 O ATOM 0 H GLY A 80 1.558 16.564 -0.136 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.196 18.016 -1.972 1.00 0.00 H new ATOM 0 HA3 GLY A 80 3.771 18.218 -1.231 1.00 0.00 H new ATOM 1286 N TYR A 81 3.673 15.161 -1.454 1.00 0.00 N ATOM 1287 CA TYR A 81 4.157 13.908 -2.088 1.00 0.00 C ATOM 1288 C TYR A 81 3.110 13.381 -3.083 1.00 0.00 C ATOM 1289 O TYR A 81 1.955 13.814 -3.068 1.00 0.00 O ATOM 1290 CB TYR A 81 4.426 12.802 -1.035 1.00 0.00 C ATOM 1291 CG TYR A 81 5.368 13.185 0.116 1.00 0.00 C ATOM 1292 CD1 TYR A 81 6.748 13.315 -0.074 1.00 0.00 C ATOM 1293 CD2 TYR A 81 4.873 13.383 1.407 1.00 0.00 C ATOM 1294 CE1 TYR A 81 7.588 13.626 0.980 1.00 0.00 C ATOM 1295 CE2 TYR A 81 5.709 13.700 2.456 1.00 0.00 C ATOM 1296 CZ TYR A 81 7.064 13.819 2.241 1.00 0.00 C ATOM 1297 OH TYR A 81 7.903 14.128 3.291 1.00 0.00 O ATOM 0 H TYR A 81 3.506 15.078 -0.451 1.00 0.00 H new ATOM 0 HA TYR A 81 5.089 14.146 -2.601 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.471 12.493 -0.610 1.00 0.00 H new ATOM 0 HB3 TYR A 81 4.843 11.934 -1.546 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.164 13.170 -1.060 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.813 13.286 1.587 1.00 0.00 H new ATOM 0 HE1 TYR A 81 8.652 13.717 0.816 1.00 0.00 H new ATOM 0 HE2 TYR A 81 5.302 13.855 3.444 1.00 0.00 H new ATOM 0 HH TYR A 81 7.376 14.233 4.111 1.00 0.00 H new ATOM 1307 N THR A 82 3.496 12.412 -3.918 1.00 0.00 N ATOM 1308 CA THR A 82 2.579 11.803 -4.897 1.00 0.00 C ATOM 1309 C THR A 82 2.785 10.263 -4.994 1.00 0.00 C ATOM 1310 O THR A 82 3.221 9.754 -6.040 1.00 0.00 O ATOM 1311 CB THR A 82 2.726 12.492 -6.314 1.00 0.00 C ATOM 1312 OG1 THR A 82 4.118 12.604 -6.657 1.00 0.00 O ATOM 1313 CG2 THR A 82 2.072 13.889 -6.378 1.00 0.00 C ATOM 0 H THR A 82 4.441 12.028 -3.938 1.00 0.00 H new ATOM 0 HA THR A 82 1.561 11.972 -4.545 1.00 0.00 H new ATOM 0 HB THR A 82 2.202 11.857 -7.028 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.205 13.029 -7.536 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.207 14.309 -7.375 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.007 13.802 -6.162 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.540 14.544 -5.642 1.00 0.00 H new ATOM 1321 N PRO A 83 2.502 9.480 -3.887 1.00 0.00 N ATOM 1322 CA PRO A 83 2.464 8.001 -3.958 1.00 0.00 C ATOM 1323 C PRO A 83 1.155 7.483 -4.597 1.00 0.00 C ATOM 1324 O PRO A 83 0.115 8.159 -4.564 1.00 0.00 O ATOM 1325 CB PRO A 83 2.552 7.575 -2.469 1.00 0.00 C ATOM 1326 CG PRO A 83 1.885 8.697 -1.732 1.00 0.00 C ATOM 1327 CD PRO A 83 2.251 9.956 -2.490 1.00 0.00 C ATOM 0 HA PRO A 83 3.262 7.595 -4.579 1.00 0.00 H new ATOM 0 HB2 PRO A 83 2.045 6.626 -2.295 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.587 7.447 -2.151 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.804 8.558 -1.701 1.00 0.00 H new ATOM 0 HG3 PRO A 83 2.229 8.747 -0.699 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.445 10.690 -2.457 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.135 10.434 -2.067 1.00 0.00 H new ATOM 1335 N TYR A 84 1.225 6.282 -5.171 1.00 0.00 N ATOM 1336 CA TYR A 84 0.044 5.532 -5.634 1.00 0.00 C ATOM 1337 C TYR A 84 -0.508 4.703 -4.475 1.00 0.00 C ATOM 1338 O TYR A 84 0.124 4.605 -3.407 1.00 0.00 O ATOM 1339 CB TYR A 84 0.407 4.610 -6.824 1.00 0.00 C ATOM 1340 CG TYR A 84 0.928 5.368 -8.055 1.00 0.00 C ATOM 1341 CD1 TYR A 84 2.283 5.686 -8.195 1.00 0.00 C ATOM 1342 CD2 TYR A 84 0.063 5.778 -9.077 1.00 0.00 C ATOM 1343 CE1 TYR A 84 2.746 6.375 -9.300 1.00 0.00 C ATOM 1344 CE2 TYR A 84 0.529 6.465 -10.179 1.00 0.00 C ATOM 1345 CZ TYR A 84 1.866 6.759 -10.286 1.00 0.00 C ATOM 1346 OH TYR A 84 2.326 7.436 -11.388 1.00 0.00 O ATOM 0 H TYR A 84 2.106 5.794 -5.332 1.00 0.00 H new ATOM 0 HA TYR A 84 -0.713 6.238 -5.975 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.164 3.895 -6.501 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.474 4.035 -7.108 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.980 5.388 -7.426 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.990 5.552 -9.001 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.796 6.612 -9.390 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -0.156 6.771 -10.956 1.00 0.00 H new ATOM 0 HH TYR A 84 1.576 7.632 -11.988 1.00 0.00 H new ATOM 1356 N TYR A 85 -1.680 4.102 -4.694 1.00 0.00 N ATOM 1357 CA TYR A 85 -2.381 3.329 -3.669 1.00 0.00 C ATOM 1358 C TYR A 85 -3.293 2.288 -4.330 1.00 0.00 C ATOM 1359 O TYR A 85 -3.878 2.542 -5.395 1.00 0.00 O ATOM 1360 CB TYR A 85 -3.166 4.278 -2.735 1.00 0.00 C ATOM 1361 CG TYR A 85 -4.182 5.202 -3.436 1.00 0.00 C ATOM 1362 CD1 TYR A 85 -3.778 6.385 -4.050 1.00 0.00 C ATOM 1363 CD2 TYR A 85 -5.535 4.890 -3.468 1.00 0.00 C ATOM 1364 CE1 TYR A 85 -4.687 7.215 -4.654 1.00 0.00 C ATOM 1365 CE2 TYR A 85 -6.449 5.715 -4.074 1.00 0.00 C ATOM 1366 CZ TYR A 85 -6.020 6.879 -4.665 1.00 0.00 C ATOM 1367 OH TYR A 85 -6.928 7.714 -5.271 1.00 0.00 O ATOM 0 H TYR A 85 -2.169 4.138 -5.588 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.658 2.791 -3.057 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -3.696 3.677 -1.996 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.453 4.897 -2.190 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -2.732 6.653 -4.050 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -5.876 3.976 -3.005 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -4.356 8.131 -5.120 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -7.496 5.452 -4.086 1.00 0.00 H new ATOM 0 HH TYR A 85 -6.451 8.388 -5.799 1.00 0.00 H new ATOM 1377 N LEU A 86 -3.384 1.109 -3.696 1.00 0.00 N ATOM 1378 CA LEU A 86 -4.107 -0.044 -4.225 1.00 0.00 C ATOM 1379 C LEU A 86 -5.426 -0.221 -3.463 1.00 0.00 C ATOM 1380 O LEU A 86 -5.447 -0.595 -2.264 1.00 0.00 O ATOM 1381 CB LEU A 86 -3.211 -1.318 -4.148 1.00 0.00 C ATOM 1382 CG LEU A 86 -3.749 -2.644 -4.817 1.00 0.00 C ATOM 1383 CD1 LEU A 86 -4.769 -3.410 -3.944 1.00 0.00 C ATOM 1384 CD2 LEU A 86 -4.326 -2.364 -6.216 1.00 0.00 C ATOM 0 H LEU A 86 -2.950 0.933 -2.790 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.349 0.121 -5.275 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.251 -1.079 -4.605 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.020 -1.529 -3.096 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.884 -3.299 -4.916 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.094 -4.309 -4.468 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.302 -3.689 -3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.631 -2.773 -3.748 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.689 -3.294 -6.653 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.150 -1.656 -6.134 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.548 -1.943 -6.853 1.00 0.00 H new ATOM 1396 N GLU A 87 -6.505 0.026 -4.207 1.00 0.00 N ATOM 1397 CA GLU A 87 -7.872 -0.230 -3.789 1.00 0.00 C ATOM 1398 C GLU A 87 -8.230 -1.657 -4.233 1.00 0.00 C ATOM 1399 O GLU A 87 -8.430 -1.899 -5.432 1.00 0.00 O ATOM 1400 CB GLU A 87 -8.815 0.819 -4.450 1.00 0.00 C ATOM 1401 CG GLU A 87 -8.409 2.291 -4.229 1.00 0.00 C ATOM 1402 CD GLU A 87 -8.382 2.701 -2.751 1.00 0.00 C ATOM 1403 OE1 GLU A 87 -9.443 3.088 -2.212 1.00 0.00 O ATOM 1404 OE2 GLU A 87 -7.311 2.632 -2.130 1.00 0.00 O ATOM 0 H GLU A 87 -6.443 0.422 -5.145 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.983 -0.145 -2.708 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.854 0.626 -5.522 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.823 0.674 -4.063 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.423 2.457 -4.662 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.105 2.936 -4.765 1.00 0.00 H new ATOM 1411 N GLY A 88 -8.249 -2.598 -3.279 1.00 0.00 N ATOM 1412 CA GLY A 88 -8.530 -4.007 -3.572 1.00 0.00 C ATOM 1413 C GLY A 88 -8.367 -4.893 -2.348 1.00 0.00 C ATOM 1414 O GLY A 88 -7.848 -4.446 -1.317 1.00 0.00 O ATOM 0 H GLY A 88 -8.072 -2.405 -2.293 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.547 -4.101 -3.953 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.861 -4.353 -4.360 1.00 0.00 H new ATOM 1418 N ASN A 89 -8.804 -6.156 -2.472 1.00 0.00 N ATOM 1419 CA ASN A 89 -8.798 -7.126 -1.361 1.00 0.00 C ATOM 1420 C ASN A 89 -7.408 -7.767 -1.200 1.00 0.00 C ATOM 1421 O ASN A 89 -6.888 -8.360 -2.146 1.00 0.00 O ATOM 1422 CB ASN A 89 -9.889 -8.202 -1.579 1.00 0.00 C ATOM 1423 CG ASN A 89 -11.300 -7.625 -1.484 1.00 0.00 C ATOM 1424 OD1 ASN A 89 -11.885 -7.213 -2.482 1.00 0.00 O ATOM 1425 ND2 ASN A 89 -11.845 -7.562 -0.276 1.00 0.00 N ATOM 0 H ASN A 89 -9.172 -6.535 -3.344 1.00 0.00 H new ATOM 0 HA ASN A 89 -9.025 -6.595 -0.437 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -9.752 -8.662 -2.558 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.771 -8.991 -0.837 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -12.776 -7.163 -0.157 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.333 -7.913 0.533 1.00 0.00 H new ATOM 1432 N VAL A 90 -6.829 -7.655 0.023 1.00 0.00 N ATOM 1433 CA VAL A 90 -5.441 -8.077 0.312 1.00 0.00 C ATOM 1434 C VAL A 90 -5.238 -9.599 0.124 1.00 0.00 C ATOM 1435 O VAL A 90 -4.210 -10.029 -0.388 1.00 0.00 O ATOM 1436 CB VAL A 90 -4.961 -7.608 1.746 1.00 0.00 C ATOM 1437 CG1 VAL A 90 -5.710 -8.333 2.882 1.00 0.00 C ATOM 1438 CG2 VAL A 90 -3.428 -7.734 1.924 1.00 0.00 C ATOM 0 H VAL A 90 -7.314 -7.269 0.833 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.812 -7.575 -0.423 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.212 -6.549 1.813 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.344 -7.976 3.845 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.778 -8.130 2.801 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.538 -9.407 2.804 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.149 -7.400 2.923 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.131 -8.774 1.793 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.923 -7.116 1.181 1.00 0.00 H new ATOM 1448 N TYR A 91 -6.252 -10.399 0.490 1.00 0.00 N ATOM 1449 CA TYR A 91 -6.188 -11.876 0.388 1.00 0.00 C ATOM 1450 C TYR A 91 -6.296 -12.349 -1.078 1.00 0.00 C ATOM 1451 O TYR A 91 -5.879 -13.465 -1.412 1.00 0.00 O ATOM 1452 CB TYR A 91 -7.307 -12.523 1.245 1.00 0.00 C ATOM 1453 CG TYR A 91 -7.204 -12.201 2.746 1.00 0.00 C ATOM 1454 CD1 TYR A 91 -6.427 -12.980 3.606 1.00 0.00 C ATOM 1455 CD2 TYR A 91 -7.865 -11.101 3.294 1.00 0.00 C ATOM 1456 CE1 TYR A 91 -6.328 -12.673 4.946 1.00 0.00 C ATOM 1457 CE2 TYR A 91 -7.765 -10.792 4.635 1.00 0.00 C ATOM 1458 CZ TYR A 91 -6.993 -11.575 5.455 1.00 0.00 C ATOM 1459 OH TYR A 91 -6.886 -11.269 6.794 1.00 0.00 O ATOM 0 H TYR A 91 -7.135 -10.050 0.863 1.00 0.00 H new ATOM 0 HA TYR A 91 -5.218 -12.194 0.769 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -8.275 -12.185 0.876 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -7.275 -13.604 1.112 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -5.896 -13.835 3.215 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -8.469 -10.476 2.653 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -5.730 -13.292 5.598 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -8.291 -9.939 5.037 1.00 0.00 H new ATOM 0 HH TYR A 91 -6.007 -11.549 7.124 1.00 0.00 H new ATOM 1469 N ASP A 92 -6.849 -11.480 -1.940 1.00 0.00 N ATOM 1470 CA ASP A 92 -7.090 -11.788 -3.364 1.00 0.00 C ATOM 1471 C ASP A 92 -5.822 -11.651 -4.220 1.00 0.00 C ATOM 1472 O ASP A 92 -5.815 -12.098 -5.356 1.00 0.00 O ATOM 1473 CB ASP A 92 -8.227 -10.889 -3.939 1.00 0.00 C ATOM 1474 CG ASP A 92 -9.646 -11.359 -3.582 1.00 0.00 C ATOM 1475 OD1 ASP A 92 -9.922 -11.605 -2.391 1.00 0.00 O ATOM 1476 OD2 ASP A 92 -10.489 -11.501 -4.494 1.00 0.00 O ATOM 0 H ASP A 92 -7.143 -10.541 -1.671 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.400 -12.832 -3.410 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -8.091 -9.872 -3.572 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.131 -10.852 -5.024 1.00 0.00 H new ATOM 1481 N PHE A 93 -4.751 -11.056 -3.677 1.00 0.00 N ATOM 1482 CA PHE A 93 -3.488 -10.860 -4.435 1.00 0.00 C ATOM 1483 C PHE A 93 -2.942 -12.208 -4.966 1.00 0.00 C ATOM 1484 O PHE A 93 -2.525 -12.302 -6.125 1.00 0.00 O ATOM 1485 CB PHE A 93 -2.427 -10.142 -3.561 1.00 0.00 C ATOM 1486 CG PHE A 93 -2.826 -8.760 -3.025 1.00 0.00 C ATOM 1487 CD1 PHE A 93 -3.910 -8.052 -3.534 1.00 0.00 C ATOM 1488 CD2 PHE A 93 -2.089 -8.160 -2.021 1.00 0.00 C ATOM 1489 CE1 PHE A 93 -4.247 -6.807 -3.048 1.00 0.00 C ATOM 1490 CE2 PHE A 93 -2.420 -6.918 -1.537 1.00 0.00 C ATOM 1491 CZ PHE A 93 -3.491 -6.233 -2.054 1.00 0.00 C ATOM 0 H PHE A 93 -4.725 -10.701 -2.721 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.708 -10.226 -5.294 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -2.187 -10.784 -2.713 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.514 -10.034 -4.147 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.500 -8.487 -4.327 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.236 -8.678 -1.609 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -5.103 -6.284 -3.447 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -1.834 -6.477 -0.744 1.00 0.00 H new ATOM 0 HZ PHE A 93 -3.738 -5.250 -1.682 1.00 0.00 H new ATOM 1501 N GLU A 94 -3.023 -13.241 -4.096 1.00 0.00 N ATOM 1502 CA GLU A 94 -2.693 -14.646 -4.413 1.00 0.00 C ATOM 1503 C GLU A 94 -3.403 -15.135 -5.700 1.00 0.00 C ATOM 1504 O GLU A 94 -2.745 -15.550 -6.655 1.00 0.00 O ATOM 1505 CB GLU A 94 -3.087 -15.555 -3.198 1.00 0.00 C ATOM 1506 CG GLU A 94 -1.978 -15.752 -2.147 1.00 0.00 C ATOM 1507 CD GLU A 94 -0.818 -16.632 -2.649 1.00 0.00 C ATOM 1508 OE1 GLU A 94 -1.078 -17.769 -3.111 1.00 0.00 O ATOM 1509 OE2 GLU A 94 0.348 -16.209 -2.583 1.00 0.00 O ATOM 0 H GLU A 94 -3.327 -13.115 -3.131 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.620 -14.710 -4.595 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.959 -15.123 -2.708 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.386 -16.532 -3.577 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.586 -14.778 -1.854 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.409 -16.204 -1.254 1.00 0.00 H new ATOM 1516 N LYS A 95 -4.747 -15.039 -5.718 1.00 0.00 N ATOM 1517 CA LYS A 95 -5.576 -15.571 -6.826 1.00 0.00 C ATOM 1518 C LYS A 95 -5.495 -14.684 -8.093 1.00 0.00 C ATOM 1519 O LYS A 95 -5.892 -15.116 -9.172 1.00 0.00 O ATOM 1520 CB LYS A 95 -7.051 -15.763 -6.360 1.00 0.00 C ATOM 1521 CG LYS A 95 -7.736 -14.480 -5.869 1.00 0.00 C ATOM 1522 CD LYS A 95 -9.194 -14.666 -5.378 1.00 0.00 C ATOM 1523 CE LYS A 95 -10.209 -14.945 -6.501 1.00 0.00 C ATOM 1524 NZ LYS A 95 -10.114 -16.327 -7.040 1.00 0.00 N ATOM 0 H LYS A 95 -5.287 -14.596 -4.975 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.172 -16.545 -7.101 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.629 -16.175 -7.187 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -7.072 -16.501 -5.558 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -7.145 -14.058 -5.056 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -7.731 -13.750 -6.678 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -9.223 -15.490 -4.665 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -9.501 -13.769 -4.841 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.217 -14.777 -6.122 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.051 -14.233 -7.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -11.069 -16.722 -7.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -9.635 -16.308 -7.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -9.571 -16.920 -6.381 1.00 0.00 H new ATOM 1538 N TYR A 96 -4.979 -13.439 -7.944 1.00 0.00 N ATOM 1539 CA TYR A 96 -4.687 -12.531 -9.083 1.00 0.00 C ATOM 1540 C TYR A 96 -3.265 -12.771 -9.639 1.00 0.00 C ATOM 1541 O TYR A 96 -2.931 -12.263 -10.709 1.00 0.00 O ATOM 1542 CB TYR A 96 -4.895 -11.038 -8.677 1.00 0.00 C ATOM 1543 CG TYR A 96 -6.378 -10.594 -8.671 1.00 0.00 C ATOM 1544 CD1 TYR A 96 -7.287 -11.101 -7.743 1.00 0.00 C ATOM 1545 CD2 TYR A 96 -6.865 -9.667 -9.594 1.00 0.00 C ATOM 1546 CE1 TYR A 96 -8.607 -10.712 -7.731 1.00 0.00 C ATOM 1547 CE2 TYR A 96 -8.192 -9.273 -9.585 1.00 0.00 C ATOM 1548 CZ TYR A 96 -9.053 -9.799 -8.651 1.00 0.00 C ATOM 1549 OH TYR A 96 -10.370 -9.414 -8.641 1.00 0.00 O ATOM 0 H TYR A 96 -4.754 -13.036 -7.034 1.00 0.00 H new ATOM 0 HA TYR A 96 -5.393 -12.758 -9.881 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.474 -10.879 -7.684 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -4.338 -10.403 -9.366 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -6.945 -11.820 -7.013 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -6.193 -9.249 -10.329 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -9.288 -11.124 -7.001 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -8.549 -8.555 -10.309 1.00 0.00 H new ATOM 0 HH TYR A 96 -10.525 -8.761 -9.355 1.00 0.00 H new ATOM 1559 N GLY A 97 -2.428 -13.528 -8.900 1.00 0.00 N ATOM 1560 CA GLY A 97 -1.132 -14.010 -9.422 1.00 0.00 C ATOM 1561 C GLY A 97 0.067 -13.554 -8.602 1.00 0.00 C ATOM 1562 O GLY A 97 1.181 -14.063 -8.785 1.00 0.00 O ATOM 0 H GLY A 97 -2.626 -13.818 -7.942 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.146 -15.099 -9.454 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -1.012 -13.663 -10.448 1.00 0.00 H new ATOM 1566 N PHE A 98 -0.161 -12.572 -7.722 1.00 0.00 N ATOM 1567 CA PHE A 98 0.888 -11.942 -6.905 1.00 0.00 C ATOM 1568 C PHE A 98 1.047 -12.707 -5.580 1.00 0.00 C ATOM 1569 O PHE A 98 0.134 -12.704 -4.746 1.00 0.00 O ATOM 1570 CB PHE A 98 0.516 -10.461 -6.653 1.00 0.00 C ATOM 1571 CG PHE A 98 0.179 -9.696 -7.937 1.00 0.00 C ATOM 1572 CD1 PHE A 98 1.189 -9.189 -8.759 1.00 0.00 C ATOM 1573 CD2 PHE A 98 -1.151 -9.497 -8.323 1.00 0.00 C ATOM 1574 CE1 PHE A 98 0.879 -8.502 -9.919 1.00 0.00 C ATOM 1575 CE2 PHE A 98 -1.455 -8.812 -9.483 1.00 0.00 C ATOM 1576 CZ PHE A 98 -0.440 -8.315 -10.281 1.00 0.00 C ATOM 0 H PHE A 98 -1.090 -12.186 -7.554 1.00 0.00 H new ATOM 0 HA PHE A 98 1.842 -11.977 -7.431 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.338 -10.418 -5.977 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.346 -9.965 -6.150 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.224 -9.335 -8.485 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -1.949 -9.884 -7.707 1.00 0.00 H new ATOM 0 HE1 PHE A 98 1.670 -8.111 -10.542 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -2.486 -8.664 -9.768 1.00 0.00 H new ATOM 0 HZ PHE A 98 -0.680 -7.780 -11.188 1.00 0.00 H new ATOM 1586 N ARG A 99 2.213 -13.360 -5.408 1.00 0.00 N ATOM 1587 CA ARG A 99 2.487 -14.238 -4.257 1.00 0.00 C ATOM 1588 C ARG A 99 2.569 -13.411 -2.952 1.00 0.00 C ATOM 1589 O ARG A 99 2.967 -12.237 -2.966 1.00 0.00 O ATOM 1590 CB ARG A 99 3.787 -15.066 -4.502 1.00 0.00 C ATOM 1591 CG ARG A 99 5.135 -14.328 -4.214 1.00 0.00 C ATOM 1592 CD ARG A 99 5.799 -14.790 -2.905 1.00 0.00 C ATOM 1593 NE ARG A 99 7.141 -14.213 -2.745 1.00 0.00 N ATOM 1594 CZ ARG A 99 7.997 -14.515 -1.763 1.00 0.00 C ATOM 1595 NH1 ARG A 99 7.683 -15.403 -0.838 1.00 0.00 N ATOM 1596 NH2 ARG A 99 9.182 -13.935 -1.716 1.00 0.00 N ATOM 0 H ARG A 99 2.991 -13.293 -6.064 1.00 0.00 H new ATOM 0 HA ARG A 99 1.664 -14.944 -4.146 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.746 -15.961 -3.881 1.00 0.00 H new ATOM 0 HB3 ARG A 99 3.792 -15.398 -5.540 1.00 0.00 H new ATOM 0 HG2 ARG A 99 5.821 -14.497 -5.044 1.00 0.00 H new ATOM 0 HG3 ARG A 99 4.953 -13.254 -4.165 1.00 0.00 H new ATOM 0 HD2 ARG A 99 5.175 -14.502 -2.059 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.867 -15.878 -2.895 1.00 0.00 H new ATOM 0 HE ARG A 99 7.443 -13.528 -3.438 1.00 0.00 H new ATOM 0 HH11 ARG A 99 6.776 -15.870 -0.866 1.00 0.00 H new ATOM 0 HH12 ARG A 99 8.347 -15.622 -0.095 1.00 0.00 H new ATOM 0 HH21 ARG A 99 9.446 -13.255 -2.429 1.00 0.00 H new ATOM 0 HH22 ARG A 99 9.834 -14.166 -0.966 1.00 0.00 H new ATOM 1610 N MET A 100 2.176 -14.039 -1.830 1.00 0.00 N ATOM 1611 CA MET A 100 2.051 -13.372 -0.519 1.00 0.00 C ATOM 1612 C MET A 100 2.759 -14.179 0.579 1.00 0.00 C ATOM 1613 O MET A 100 2.783 -15.410 0.543 1.00 0.00 O ATOM 1614 CB MET A 100 0.553 -13.192 -0.144 1.00 0.00 C ATOM 1615 CG MET A 100 -0.299 -12.497 -1.219 1.00 0.00 C ATOM 1616 SD MET A 100 -1.885 -11.937 -0.587 1.00 0.00 S ATOM 1617 CE MET A 100 -1.330 -10.724 0.595 1.00 0.00 C ATOM 0 H MET A 100 1.934 -15.030 -1.806 1.00 0.00 H new ATOM 0 HA MET A 100 2.525 -12.394 -0.596 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.124 -14.172 0.063 1.00 0.00 H new ATOM 0 HB3 MET A 100 0.490 -12.616 0.779 1.00 0.00 H new ATOM 0 HG2 MET A 100 0.251 -11.644 -1.618 1.00 0.00 H new ATOM 0 HG3 MET A 100 -0.465 -13.186 -2.048 1.00 0.00 H new ATOM 0 HE1 MET A 100 -2.145 -10.037 0.821 1.00 0.00 H new ATOM 0 HE2 MET A 100 -1.014 -11.225 1.510 1.00 0.00 H new ATOM 0 HE3 MET A 100 -0.491 -10.167 0.178 1.00 0.00 H new ATOM 1627 N VAL A 101 3.311 -13.467 1.573 1.00 0.00 N ATOM 1628 CA VAL A 101 4.001 -14.071 2.723 1.00 0.00 C ATOM 1629 C VAL A 101 3.089 -14.012 3.959 1.00 0.00 C ATOM 1630 O VAL A 101 2.711 -12.928 4.422 1.00 0.00 O ATOM 1631 CB VAL A 101 5.368 -13.356 3.027 1.00 0.00 C ATOM 1632 CG1 VAL A 101 6.110 -13.999 4.232 1.00 0.00 C ATOM 1633 CG2 VAL A 101 6.258 -13.343 1.767 1.00 0.00 C ATOM 0 H VAL A 101 3.291 -12.448 1.602 1.00 0.00 H new ATOM 0 HA VAL A 101 4.223 -15.109 2.475 1.00 0.00 H new ATOM 0 HB VAL A 101 5.147 -12.326 3.308 1.00 0.00 H new ATOM 0 HG11 VAL A 101 7.049 -13.472 4.404 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.486 -13.929 5.123 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.317 -15.047 4.015 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.201 -12.845 1.993 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.455 -14.367 1.450 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.747 -12.808 0.966 1.00 0.00 H new ATOM 1643 N TYR A 102 2.718 -15.194 4.440 1.00 0.00 N ATOM 1644 CA TYR A 102 1.950 -15.388 5.673 1.00 0.00 C ATOM 1645 C TYR A 102 2.916 -15.676 6.838 1.00 0.00 C ATOM 1646 O TYR A 102 4.014 -16.196 6.603 1.00 0.00 O ATOM 1647 CB TYR A 102 0.973 -16.579 5.485 1.00 0.00 C ATOM 1648 CG TYR A 102 0.057 -16.461 4.250 1.00 0.00 C ATOM 1649 CD1 TYR A 102 0.482 -16.889 2.984 1.00 0.00 C ATOM 1650 CD2 TYR A 102 -1.218 -15.909 4.342 1.00 0.00 C ATOM 1651 CE1 TYR A 102 -0.338 -16.785 1.878 1.00 0.00 C ATOM 1652 CE2 TYR A 102 -2.035 -15.803 3.236 1.00 0.00 C ATOM 1653 CZ TYR A 102 -1.590 -16.234 2.012 1.00 0.00 C ATOM 1654 OH TYR A 102 -2.409 -16.134 0.923 1.00 0.00 O ATOM 0 H TYR A 102 2.948 -16.071 3.972 1.00 0.00 H new ATOM 0 HA TYR A 102 1.379 -14.488 5.899 1.00 0.00 H new ATOM 0 HB2 TYR A 102 1.552 -17.499 5.407 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.352 -16.668 6.376 1.00 0.00 H new ATOM 0 HD1 TYR A 102 1.471 -17.309 2.872 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.574 -15.557 5.299 1.00 0.00 H new ATOM 0 HE1 TYR A 102 0.002 -17.134 0.914 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -3.024 -15.381 3.333 1.00 0.00 H new ATOM 0 HH TYR A 102 -2.377 -15.220 0.572 1.00 0.00 H new