USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 698 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 57 GLN : amide:sc= 0.798 K(o=0.97,f=-0.94) USER MOD Set 1.2: A 88 GLN : amide:sc= 0.171 K(o=0.97,f=-1.3) USER MOD Set 2.1: A 44 MET CE :methyl -179:sc= -0.285 (180deg=-0.295) USER MOD Set 2.2: A 55 MET CE :methyl -135:sc= 0 (180deg=-0.0371) USER MOD Set 3.1: A 28 SER OG : rot -85:sc= 1.27 USER MOD Set 3.2: A 47 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 19 ASN : amide:sc= 1.55 K(o=2.8,f=-8) USER MOD Set 4.2: A 31 GLN : amide:sc= 1.27 K(o=2.8,f=-7.6!) USER MOD Single : A 17 HIS : no HD1:sc= -0.154 X(o=-0.15,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -153:sc= 1.06 (180deg=-0.145!) USER MOD Single : A 25 GLN : amide:sc= 0.254 K(o=0.25,f=-0.73) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HE2:sc= -0.213 K(o=-0.21,f=-1.6) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.934 USER MOD Single : A 41 SER OG : rot -105:sc= 1.41 USER MOD Single : A 42 LYS NZ :NH3+ 153:sc= 1.08 (180deg=-0.468!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot -79:sc= -1.26 USER MOD Single : A 51 GLN : amide:sc= -0.0396 X(o=-0.04,f=-0.07) USER MOD Single : A 54 SER OG : rot 180:sc= 0.34 USER MOD Single : A 65 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.43) USER MOD Single : A 68 ASN : amide:sc= 1.16 K(o=1.2,f=-0.00093) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0577 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.502 USER MOD Single : A 75 GLN : amide:sc= 0.0147 X(o=0.015,f=-0.1) USER MOD Single : A 78 MET CE :methyl 170:sc= 0 (180deg=-0.175) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0.89 K(o=0.89,f=-5.4!) USER MOD Single : A 90 GLN : amide:sc= 0.778 K(o=0.78,f=-5.4!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.116 USER MOD Single : B 357 ASN :FLIP amide:sc= -0.104 F(o=-0.86,f=-0.1) USER MOD Single : B 358 ASN : amide:sc= -1.64! C(o=-1.6!,f=-3.7!) USER MOD Single : B 365 SER OG : rot 180:sc= 0 USER MOD Single : B 367 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 16 -4.868 15.901 12.298 1.00 10.00 N ATOM 2 CA ASP A 16 -5.952 14.892 12.389 1.00 10.00 C ATOM 3 C ASP A 16 -5.558 13.624 11.651 1.00 10.00 C ATOM 4 O ASP A 16 -4.617 13.631 10.857 1.00 10.00 O ATOM 5 CB ASP A 16 -7.251 15.447 11.800 1.00 10.00 C ATOM 6 CG ASP A 16 -8.262 15.811 12.866 1.00 10.00 C ATOM 7 OD1 ASP A 16 -8.769 14.899 13.547 1.00 10.00 O ATOM 8 OD2 ASP A 16 -8.549 17.013 13.032 1.00 10.00 O ATOM 0 HA ASP A 16 -6.111 14.657 13.441 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -7.026 16.329 11.200 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -7.687 14.707 11.128 1.00 10.00 H new ATOM 13 N HIS A 17 -6.276 12.542 11.910 1.00 10.00 N ATOM 14 CA HIS A 17 -5.993 11.266 11.272 1.00 10.00 C ATOM 15 C HIS A 17 -6.978 10.987 10.142 1.00 10.00 C ATOM 16 O HIS A 17 -8.115 11.468 10.156 1.00 10.00 O ATOM 17 CB HIS A 17 -6.051 10.132 12.300 1.00 10.00 C ATOM 18 CG HIS A 17 -4.867 10.083 13.217 1.00 10.00 C ATOM 19 ND1 HIS A 17 -4.925 10.586 14.495 1.00 10.00 N ATOM 20 CD2 HIS A 17 -3.628 9.581 13.000 1.00 10.00 C ATOM 21 CE1 HIS A 17 -3.732 10.376 15.023 1.00 10.00 C ATOM 22 NE2 HIS A 17 -2.911 9.770 14.155 1.00 10.00 N ATOM 0 H HIS A 17 -7.062 12.523 12.560 1.00 10.00 H new ATOM 0 HA HIS A 17 -4.989 11.319 10.851 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -6.956 10.242 12.897 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -6.130 9.181 11.773 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -3.272 9.120 12.091 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -3.454 10.657 16.028 1.00 10.00 H new ATOM 0 HE2 HIS A 17 -1.941 9.501 14.320 1.00 10.00 H new ATOM 30 N ILE A 18 -6.527 10.221 9.165 1.00 10.00 N ATOM 31 CA ILE A 18 -7.353 9.854 8.027 1.00 10.00 C ATOM 32 C ILE A 18 -7.598 8.347 8.047 1.00 10.00 C ATOM 33 O ILE A 18 -6.708 7.572 8.396 1.00 10.00 O ATOM 34 CB ILE A 18 -6.702 10.278 6.685 1.00 10.00 C ATOM 35 CG1 ILE A 18 -7.615 9.928 5.505 1.00 10.00 C ATOM 36 CG2 ILE A 18 -5.331 9.632 6.512 1.00 10.00 C ATOM 37 CD1 ILE A 18 -7.100 10.421 4.172 1.00 10.00 C ATOM 0 H ILE A 18 -5.582 9.837 9.137 1.00 10.00 H new ATOM 0 HA ILE A 18 -8.303 10.383 8.106 1.00 10.00 H new ATOM 0 HB ILE A 18 -6.565 11.359 6.706 1.00 10.00 H new ATOM 0 HG12 ILE A 18 -7.737 8.846 5.460 1.00 10.00 H new ATOM 0 HG13 ILE A 18 -8.603 10.353 5.683 1.00 10.00 H new ATOM 0 HG21 ILE A 18 -4.898 9.947 5.563 1.00 10.00 H new ATOM 0 HG22 ILE A 18 -4.678 9.940 7.329 1.00 10.00 H new ATOM 0 HG23 ILE A 18 -5.436 8.547 6.521 1.00 10.00 H new ATOM 0 HD11 ILE A 18 -7.798 10.136 3.385 1.00 10.00 H new ATOM 0 HD12 ILE A 18 -7.005 11.507 4.198 1.00 10.00 H new ATOM 0 HD13 ILE A 18 -6.125 9.976 3.971 1.00 10.00 H new ATOM 49 N ASN A 19 -8.810 7.936 7.705 1.00 10.00 N ATOM 50 CA ASN A 19 -9.156 6.521 7.705 1.00 10.00 C ATOM 51 C ASN A 19 -9.115 5.935 6.299 1.00 10.00 C ATOM 52 O ASN A 19 -10.056 6.097 5.522 1.00 10.00 O ATOM 53 CB ASN A 19 -10.545 6.313 8.313 1.00 10.00 C ATOM 54 CG ASN A 19 -10.593 6.669 9.783 1.00 10.00 C ATOM 55 OD1 ASN A 19 -10.367 5.818 10.647 1.00 10.00 O ATOM 56 ND2 ASN A 19 -10.884 7.927 10.079 1.00 10.00 N ATOM 0 H ASN A 19 -9.568 8.558 7.425 1.00 10.00 H new ATOM 0 HA ASN A 19 -8.414 6.001 8.311 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -11.270 6.921 7.771 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -10.842 5.272 8.185 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -10.928 8.225 11.054 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -11.064 8.598 9.332 1.00 10.00 H new ATOM 63 N LEU A 20 -8.018 5.265 5.979 1.00 10.00 N ATOM 64 CA LEU A 20 -7.858 4.635 4.676 1.00 10.00 C ATOM 65 C LEU A 20 -8.123 3.140 4.794 1.00 10.00 C ATOM 66 O LEU A 20 -7.815 2.536 5.817 1.00 10.00 O ATOM 67 CB LEU A 20 -6.445 4.877 4.140 1.00 10.00 C ATOM 68 CG LEU A 20 -6.086 6.343 3.890 1.00 10.00 C ATOM 69 CD1 LEU A 20 -4.604 6.486 3.583 1.00 10.00 C ATOM 70 CD2 LEU A 20 -6.922 6.908 2.754 1.00 10.00 C ATOM 0 H LEU A 20 -7.223 5.143 6.606 1.00 10.00 H new ATOM 0 HA LEU A 20 -8.574 5.072 3.980 1.00 10.00 H new ATOM 0 HB2 LEU A 20 -5.729 4.460 4.848 1.00 10.00 H new ATOM 0 HB3 LEU A 20 -6.328 4.327 3.206 1.00 10.00 H new ATOM 0 HG LEU A 20 -6.305 6.910 4.795 1.00 10.00 H new ATOM 0 HD11 LEU A 20 -4.368 7.536 3.408 1.00 10.00 H new ATOM 0 HD12 LEU A 20 -4.020 6.119 4.427 1.00 10.00 H new ATOM 0 HD13 LEU A 20 -4.359 5.906 2.693 1.00 10.00 H new ATOM 0 HD21 LEU A 20 -6.654 7.952 2.589 1.00 10.00 H new ATOM 0 HD22 LEU A 20 -6.734 6.337 1.845 1.00 10.00 H new ATOM 0 HD23 LEU A 20 -7.979 6.841 3.012 1.00 10.00 H new ATOM 82 N LYS A 21 -8.699 2.543 3.767 1.00 10.00 N ATOM 83 CA LYS A 21 -8.993 1.118 3.798 1.00 10.00 C ATOM 84 C LYS A 21 -8.266 0.373 2.690 1.00 10.00 C ATOM 85 O LYS A 21 -8.290 0.778 1.528 1.00 10.00 O ATOM 86 CB LYS A 21 -10.499 0.873 3.686 1.00 10.00 C ATOM 87 CG LYS A 21 -11.232 0.967 5.010 1.00 10.00 C ATOM 88 CD LYS A 21 -12.729 0.789 4.825 1.00 10.00 C ATOM 89 CE LYS A 21 -13.440 0.641 6.157 1.00 10.00 C ATOM 90 NZ LYS A 21 -14.909 0.824 6.026 1.00 10.00 N ATOM 0 H LYS A 21 -8.972 3.017 2.906 1.00 10.00 H new ATOM 0 HA LYS A 21 -8.639 0.735 4.755 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -10.925 1.598 2.992 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -10.667 -0.115 3.257 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -10.854 0.205 5.692 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -11.033 1.935 5.471 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -13.135 1.646 4.288 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -12.919 -0.091 4.210 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -13.233 -0.346 6.571 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -13.045 1.372 6.862 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -15.298 1.168 6.927 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -15.107 1.517 5.277 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -15.352 -0.085 5.782 1.00 10.00 H new ATOM 104 N VAL A 22 -7.613 -0.712 3.061 1.00 10.00 N ATOM 105 CA VAL A 22 -6.888 -1.536 2.111 1.00 10.00 C ATOM 106 C VAL A 22 -7.575 -2.888 2.000 1.00 10.00 C ATOM 107 O VAL A 22 -7.557 -3.683 2.943 1.00 10.00 O ATOM 108 CB VAL A 22 -5.413 -1.732 2.526 1.00 10.00 C ATOM 109 CG1 VAL A 22 -4.674 -2.578 1.505 1.00 10.00 C ATOM 110 CG2 VAL A 22 -4.723 -0.388 2.704 1.00 10.00 C ATOM 0 H VAL A 22 -7.570 -1.046 4.024 1.00 10.00 H new ATOM 0 HA VAL A 22 -6.892 -1.028 1.147 1.00 10.00 H new ATOM 0 HB VAL A 22 -5.396 -2.257 3.481 1.00 10.00 H new ATOM 0 HG11 VAL A 22 -3.637 -2.703 1.818 1.00 10.00 H new ATOM 0 HG12 VAL A 22 -5.150 -3.555 1.429 1.00 10.00 H new ATOM 0 HG13 VAL A 22 -4.703 -2.084 0.534 1.00 10.00 H new ATOM 0 HG21 VAL A 22 -3.685 -0.548 2.996 1.00 10.00 H new ATOM 0 HG22 VAL A 22 -4.755 0.164 1.765 1.00 10.00 H new ATOM 0 HG23 VAL A 22 -5.234 0.184 3.479 1.00 10.00 H new ATOM 120 N ALA A 23 -8.186 -3.143 0.854 1.00 10.00 N ATOM 121 CA ALA A 23 -8.904 -4.388 0.638 1.00 10.00 C ATOM 122 C ALA A 23 -8.164 -5.296 -0.329 1.00 10.00 C ATOM 123 O ALA A 23 -7.851 -4.901 -1.455 1.00 10.00 O ATOM 124 CB ALA A 23 -10.306 -4.104 0.123 1.00 10.00 C ATOM 0 H ALA A 23 -8.199 -2.504 0.059 1.00 10.00 H new ATOM 0 HA ALA A 23 -8.972 -4.904 1.596 1.00 10.00 H new ATOM 0 HB1 ALA A 23 -10.833 -5.045 -0.035 1.00 10.00 H new ATOM 0 HB2 ALA A 23 -10.847 -3.503 0.854 1.00 10.00 H new ATOM 0 HB3 ALA A 23 -10.244 -3.560 -0.820 1.00 10.00 H new ATOM 130 N GLY A 24 -7.890 -6.514 0.115 1.00 10.00 N ATOM 131 CA GLY A 24 -7.198 -7.471 -0.723 1.00 10.00 C ATOM 132 C GLY A 24 -8.142 -8.140 -1.702 1.00 10.00 C ATOM 133 O GLY A 24 -9.348 -7.887 -1.679 1.00 10.00 O ATOM 0 H GLY A 24 -8.136 -6.857 1.044 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -6.402 -6.967 -1.271 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -6.725 -8.228 -0.098 1.00 10.00 H new ATOM 137 N GLN A 25 -7.608 -9.013 -2.545 1.00 10.00 N ATOM 138 CA GLN A 25 -8.410 -9.718 -3.541 1.00 10.00 C ATOM 139 C GLN A 25 -9.098 -10.942 -2.936 1.00 10.00 C ATOM 140 O GLN A 25 -9.301 -11.954 -3.609 1.00 10.00 O ATOM 141 CB GLN A 25 -7.525 -10.128 -4.719 1.00 10.00 C ATOM 142 CG GLN A 25 -7.020 -8.942 -5.530 1.00 10.00 C ATOM 143 CD GLN A 25 -8.096 -8.350 -6.419 1.00 10.00 C ATOM 144 OE1 GLN A 25 -8.921 -9.071 -6.975 1.00 10.00 O ATOM 145 NE2 GLN A 25 -8.110 -7.032 -6.544 1.00 10.00 N ATOM 0 H GLN A 25 -6.617 -9.252 -2.560 1.00 10.00 H new ATOM 0 HA GLN A 25 -9.190 -9.044 -3.895 1.00 10.00 H new ATOM 0 HB2 GLN A 25 -6.672 -10.694 -4.345 1.00 10.00 H new ATOM 0 HB3 GLN A 25 -8.087 -10.794 -5.373 1.00 10.00 H new ATOM 0 HG2 GLN A 25 -6.649 -8.173 -4.852 1.00 10.00 H new ATOM 0 HG3 GLN A 25 -6.178 -9.258 -6.145 1.00 10.00 H new ATOM 0 HE21 GLN A 25 -7.408 -6.467 -6.066 1.00 10.00 H new ATOM 0 HE22 GLN A 25 -8.823 -6.582 -7.118 1.00 10.00 H new ATOM 154 N ASP A 26 -9.465 -10.834 -1.665 1.00 10.00 N ATOM 155 CA ASP A 26 -10.135 -11.915 -0.955 1.00 10.00 C ATOM 156 C ASP A 26 -11.289 -11.364 -0.120 1.00 10.00 C ATOM 157 O ASP A 26 -12.434 -11.352 -0.568 1.00 10.00 O ATOM 158 CB ASP A 26 -9.154 -12.696 -0.065 1.00 10.00 C ATOM 159 CG ASP A 26 -8.073 -11.826 0.558 1.00 10.00 C ATOM 160 OD1 ASP A 26 -6.889 -11.993 0.193 1.00 10.00 O ATOM 161 OD2 ASP A 26 -8.402 -10.978 1.418 1.00 10.00 O ATOM 0 H ASP A 26 -9.307 -9.999 -1.100 1.00 10.00 H new ATOM 0 HA ASP A 26 -10.533 -12.607 -1.697 1.00 10.00 H new ATOM 0 HB2 ASP A 26 -9.712 -13.192 0.729 1.00 10.00 H new ATOM 0 HB3 ASP A 26 -8.682 -13.479 -0.659 1.00 10.00 H new ATOM 166 N GLY A 27 -10.980 -10.891 1.081 1.00 10.00 N ATOM 167 CA GLY A 27 -12.001 -10.340 1.954 1.00 10.00 C ATOM 168 C GLY A 27 -11.418 -9.601 3.145 1.00 10.00 C ATOM 169 O GLY A 27 -12.139 -9.250 4.082 1.00 10.00 O ATOM 0 H GLY A 27 -10.036 -10.879 1.468 1.00 10.00 H new ATOM 0 HA2 GLY A 27 -12.632 -9.659 1.383 1.00 10.00 H new ATOM 0 HA3 GLY A 27 -12.642 -11.146 2.310 1.00 10.00 H new ATOM 173 N SER A 28 -10.117 -9.371 3.118 1.00 10.00 N ATOM 174 CA SER A 28 -9.453 -8.664 4.199 1.00 10.00 C ATOM 175 C SER A 28 -9.499 -7.163 3.946 1.00 10.00 C ATOM 176 O SER A 28 -9.030 -6.694 2.906 1.00 10.00 O ATOM 177 CB SER A 28 -8.002 -9.139 4.331 1.00 10.00 C ATOM 178 OG SER A 28 -7.369 -9.224 3.062 1.00 10.00 O ATOM 0 H SER A 28 -9.500 -9.663 2.360 1.00 10.00 H new ATOM 0 HA SER A 28 -9.973 -8.878 5.133 1.00 10.00 H new ATOM 0 HB2 SER A 28 -7.449 -8.451 4.970 1.00 10.00 H new ATOM 0 HB3 SER A 28 -7.979 -10.114 4.817 1.00 10.00 H new ATOM 0 HG SER A 28 -7.574 -10.090 2.652 1.00 10.00 H new ATOM 184 N VAL A 29 -10.083 -6.410 4.875 1.00 10.00 N ATOM 185 CA VAL A 29 -10.173 -4.963 4.708 1.00 10.00 C ATOM 186 C VAL A 29 -9.609 -4.243 5.926 1.00 10.00 C ATOM 187 O VAL A 29 -10.338 -3.919 6.862 1.00 10.00 O ATOM 188 CB VAL A 29 -11.624 -4.491 4.460 1.00 10.00 C ATOM 189 CG1 VAL A 29 -11.652 -3.013 4.091 1.00 10.00 C ATOM 190 CG2 VAL A 29 -12.290 -5.325 3.372 1.00 10.00 C ATOM 0 H VAL A 29 -10.494 -6.770 5.736 1.00 10.00 H new ATOM 0 HA VAL A 29 -9.581 -4.714 3.827 1.00 10.00 H new ATOM 0 HB VAL A 29 -12.185 -4.628 5.384 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -12.682 -2.700 3.920 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -11.225 -2.427 4.904 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -11.069 -2.853 3.184 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -13.310 -4.973 3.217 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -11.727 -5.228 2.444 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -12.310 -6.371 3.677 1.00 10.00 H new ATOM 200 N VAL A 30 -8.307 -4.007 5.912 1.00 10.00 N ATOM 201 CA VAL A 30 -7.652 -3.325 7.015 1.00 10.00 C ATOM 202 C VAL A 30 -7.871 -1.820 6.911 1.00 10.00 C ATOM 203 O VAL A 30 -8.048 -1.280 5.815 1.00 10.00 O ATOM 204 CB VAL A 30 -6.139 -3.635 7.072 1.00 10.00 C ATOM 205 CG1 VAL A 30 -5.908 -5.117 7.333 1.00 10.00 C ATOM 206 CG2 VAL A 30 -5.445 -3.201 5.789 1.00 10.00 C ATOM 0 H VAL A 30 -7.684 -4.277 5.150 1.00 10.00 H new ATOM 0 HA VAL A 30 -8.100 -3.695 7.937 1.00 10.00 H new ATOM 0 HB VAL A 30 -5.707 -3.068 7.896 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -4.837 -5.317 7.370 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -6.362 -5.394 8.284 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -6.359 -5.702 6.532 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -4.381 -3.430 5.855 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -5.879 -3.733 4.943 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -5.577 -2.128 5.649 1.00 10.00 H new ATOM 216 N GLN A 31 -7.871 -1.158 8.049 1.00 10.00 N ATOM 217 CA GLN A 31 -8.082 0.275 8.104 1.00 10.00 C ATOM 218 C GLN A 31 -6.837 0.978 8.624 1.00 10.00 C ATOM 219 O GLN A 31 -6.431 0.793 9.770 1.00 10.00 O ATOM 220 CB GLN A 31 -9.280 0.594 8.997 1.00 10.00 C ATOM 221 CG GLN A 31 -9.719 2.046 8.939 1.00 10.00 C ATOM 222 CD GLN A 31 -11.184 2.205 9.275 1.00 10.00 C ATOM 223 OE1 GLN A 31 -11.988 1.307 9.024 1.00 10.00 O ATOM 224 NE2 GLN A 31 -11.545 3.339 9.848 1.00 10.00 N ATOM 0 H GLN A 31 -7.725 -1.595 8.959 1.00 10.00 H new ATOM 0 HA GLN A 31 -8.286 0.636 7.096 1.00 10.00 H new ATOM 0 HB2 GLN A 31 -10.117 -0.041 8.706 1.00 10.00 H new ATOM 0 HB3 GLN A 31 -9.031 0.341 10.027 1.00 10.00 H new ATOM 0 HG2 GLN A 31 -9.121 2.634 9.635 1.00 10.00 H new ATOM 0 HG3 GLN A 31 -9.530 2.443 7.942 1.00 10.00 H new ATOM 0 HE21 GLN A 31 -10.848 4.058 10.039 1.00 10.00 H new ATOM 0 HE22 GLN A 31 -12.521 3.495 10.099 1.00 10.00 H new ATOM 233 N PHE A 32 -6.235 1.780 7.774 1.00 10.00 N ATOM 234 CA PHE A 32 -5.041 2.514 8.135 1.00 10.00 C ATOM 235 C PHE A 32 -5.410 3.911 8.606 1.00 10.00 C ATOM 236 O PHE A 32 -5.752 4.779 7.802 1.00 10.00 O ATOM 237 CB PHE A 32 -4.075 2.594 6.951 1.00 10.00 C ATOM 238 CG PHE A 32 -3.157 1.412 6.855 1.00 10.00 C ATOM 239 CD1 PHE A 32 -3.497 0.314 6.084 1.00 10.00 C ATOM 240 CD2 PHE A 32 -1.950 1.401 7.535 1.00 10.00 C ATOM 241 CE1 PHE A 32 -2.653 -0.775 5.997 1.00 10.00 C ATOM 242 CE2 PHE A 32 -1.102 0.315 7.451 1.00 10.00 C ATOM 243 CZ PHE A 32 -1.453 -0.775 6.678 1.00 10.00 C ATOM 0 H PHE A 32 -6.556 1.942 6.819 1.00 10.00 H new ATOM 0 HA PHE A 32 -4.544 1.985 8.948 1.00 10.00 H new ATOM 0 HB2 PHE A 32 -4.649 2.676 6.028 1.00 10.00 H new ATOM 0 HB3 PHE A 32 -3.479 3.502 7.038 1.00 10.00 H new ATOM 0 HD1 PHE A 32 -4.433 0.309 5.545 1.00 10.00 H new ATOM 0 HD2 PHE A 32 -1.669 2.252 8.138 1.00 10.00 H new ATOM 0 HE1 PHE A 32 -2.932 -1.627 5.396 1.00 10.00 H new ATOM 0 HE2 PHE A 32 -0.165 0.317 7.989 1.00 10.00 H new ATOM 0 HZ PHE A 32 -0.790 -1.625 6.607 1.00 10.00 H new ATOM 253 N LYS A 33 -5.359 4.115 9.912 1.00 10.00 N ATOM 254 CA LYS A 33 -5.682 5.407 10.493 1.00 10.00 C ATOM 255 C LYS A 33 -4.390 6.168 10.752 1.00 10.00 C ATOM 256 O LYS A 33 -3.901 6.227 11.877 1.00 10.00 O ATOM 257 CB LYS A 33 -6.473 5.223 11.792 1.00 10.00 C ATOM 258 CG LYS A 33 -7.135 6.496 12.294 1.00 10.00 C ATOM 259 CD LYS A 33 -7.681 6.316 13.702 1.00 10.00 C ATOM 260 CE LYS A 33 -8.493 7.520 14.146 1.00 10.00 C ATOM 261 NZ LYS A 33 -8.977 7.370 15.542 1.00 10.00 N ATOM 0 H LYS A 33 -5.096 3.401 10.591 1.00 10.00 H new ATOM 0 HA LYS A 33 -6.303 5.977 9.801 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -7.239 4.464 11.635 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -5.803 4.845 12.564 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -6.413 7.313 12.283 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -7.945 6.777 11.621 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -8.304 5.423 13.740 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -6.855 6.158 14.395 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -7.883 8.420 14.067 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -9.344 7.652 13.478 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -9.527 8.211 15.811 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -9.579 6.525 15.612 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -8.164 7.269 16.182 1.00 10.00 H new ATOM 275 N ILE A 34 -3.837 6.731 9.693 1.00 10.00 N ATOM 276 CA ILE A 34 -2.578 7.454 9.780 1.00 10.00 C ATOM 277 C ILE A 34 -2.774 8.948 9.571 1.00 10.00 C ATOM 278 O ILE A 34 -3.898 9.425 9.425 1.00 10.00 O ATOM 279 CB ILE A 34 -1.572 6.923 8.738 1.00 10.00 C ATOM 280 CG1 ILE A 34 -2.076 7.192 7.314 1.00 10.00 C ATOM 281 CG2 ILE A 34 -1.349 5.433 8.946 1.00 10.00 C ATOM 282 CD1 ILE A 34 -1.063 6.863 6.236 1.00 10.00 C ATOM 0 H ILE A 34 -4.241 6.702 8.757 1.00 10.00 H new ATOM 0 HA ILE A 34 -2.184 7.292 10.783 1.00 10.00 H new ATOM 0 HB ILE A 34 -0.625 7.446 8.870 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -2.980 6.607 7.142 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -2.355 8.242 7.229 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -0.638 5.065 8.207 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -0.954 5.260 9.947 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -2.295 4.904 8.833 1.00 10.00 H new ATOM 0 HD11 ILE A 34 -1.491 7.079 5.257 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -0.167 7.467 6.382 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -0.802 5.806 6.293 1.00 10.00 H new ATOM 294 N LYS A 35 -1.670 9.681 9.569 1.00 10.00 N ATOM 295 CA LYS A 35 -1.709 11.117 9.359 1.00 10.00 C ATOM 296 C LYS A 35 -1.597 11.401 7.866 1.00 10.00 C ATOM 297 O LYS A 35 -1.013 10.612 7.123 1.00 10.00 O ATOM 298 CB LYS A 35 -0.585 11.803 10.141 1.00 10.00 C ATOM 299 CG LYS A 35 -0.749 11.699 11.653 1.00 10.00 C ATOM 300 CD LYS A 35 0.468 12.231 12.394 1.00 10.00 C ATOM 301 CE LYS A 35 0.244 12.242 13.899 1.00 10.00 C ATOM 302 NZ LYS A 35 1.461 12.663 14.643 1.00 10.00 N ATOM 0 H LYS A 35 -0.734 9.301 9.711 1.00 10.00 H new ATOM 0 HA LYS A 35 -2.653 11.519 9.726 1.00 10.00 H new ATOM 0 HB2 LYS A 35 0.369 11.360 9.855 1.00 10.00 H new ATOM 0 HB3 LYS A 35 -0.546 12.855 9.859 1.00 10.00 H new ATOM 0 HG2 LYS A 35 -1.634 12.256 11.961 1.00 10.00 H new ATOM 0 HG3 LYS A 35 -0.916 10.658 11.929 1.00 10.00 H new ATOM 0 HD2 LYS A 35 1.336 11.615 12.159 1.00 10.00 H new ATOM 0 HD3 LYS A 35 0.691 13.241 12.051 1.00 10.00 H new ATOM 0 HE2 LYS A 35 -0.578 12.917 14.138 1.00 10.00 H new ATOM 0 HE3 LYS A 35 -0.055 11.247 14.228 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 1.263 12.656 15.664 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 2.239 12.005 14.437 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 1.733 13.623 14.349 1.00 10.00 H new ATOM 316 N ARG A 36 -2.134 12.526 7.425 1.00 10.00 N ATOM 317 CA ARG A 36 -2.124 12.862 6.005 1.00 10.00 C ATOM 318 C ARG A 36 -0.738 13.258 5.499 1.00 10.00 C ATOM 319 O ARG A 36 -0.524 13.360 4.289 1.00 10.00 O ATOM 320 CB ARG A 36 -3.142 13.962 5.714 1.00 10.00 C ATOM 321 CG ARG A 36 -4.533 13.422 5.422 1.00 10.00 C ATOM 322 CD ARG A 36 -5.534 14.533 5.151 1.00 10.00 C ATOM 323 NE ARG A 36 -6.626 14.066 4.299 1.00 10.00 N ATOM 324 CZ ARG A 36 -7.921 14.208 4.582 1.00 10.00 C ATOM 325 NH1 ARG A 36 -8.309 14.828 5.690 1.00 10.00 N ATOM 326 NH2 ARG A 36 -8.828 13.731 3.745 1.00 10.00 N ATOM 0 H ARG A 36 -2.581 13.221 8.023 1.00 10.00 H new ATOM 0 HA ARG A 36 -2.405 11.960 5.462 1.00 10.00 H new ATOM 0 HB2 ARG A 36 -3.192 14.638 6.568 1.00 10.00 H new ATOM 0 HB3 ARG A 36 -2.800 14.550 4.862 1.00 10.00 H new ATOM 0 HG2 ARG A 36 -4.489 12.756 4.560 1.00 10.00 H new ATOM 0 HG3 ARG A 36 -4.875 12.826 6.268 1.00 10.00 H new ATOM 0 HD2 ARG A 36 -5.937 14.900 6.095 1.00 10.00 H new ATOM 0 HD3 ARG A 36 -5.029 15.372 4.672 1.00 10.00 H new ATOM 0 HE ARG A 36 -6.380 13.599 3.426 1.00 10.00 H new ATOM 0 HH11 ARG A 36 -7.613 15.202 6.336 1.00 10.00 H new ATOM 0 HH12 ARG A 36 -9.303 14.931 5.896 1.00 10.00 H new ATOM 0 HH21 ARG A 36 -8.534 13.258 2.890 1.00 10.00 H new ATOM 0 HH22 ARG A 36 -9.821 13.836 3.955 1.00 10.00 H new ATOM 340 N HIS A 37 0.201 13.468 6.410 1.00 10.00 N ATOM 341 CA HIS A 37 1.556 13.839 6.016 1.00 10.00 C ATOM 342 C HIS A 37 2.491 12.631 6.087 1.00 10.00 C ATOM 343 O HIS A 37 3.683 12.738 5.799 1.00 10.00 O ATOM 344 CB HIS A 37 2.088 14.999 6.877 1.00 10.00 C ATOM 345 CG HIS A 37 2.414 14.638 8.298 1.00 10.00 C ATOM 346 ND1 HIS A 37 3.658 14.175 8.652 1.00 10.00 N ATOM 347 CD2 HIS A 37 1.640 14.714 9.407 1.00 10.00 C ATOM 348 CE1 HIS A 37 3.616 13.982 9.958 1.00 10.00 C ATOM 349 NE2 HIS A 37 2.413 14.298 10.462 1.00 10.00 N ATOM 0 H HIS A 37 0.055 13.390 7.416 1.00 10.00 H new ATOM 0 HA HIS A 37 1.523 14.182 4.982 1.00 10.00 H new ATOM 0 HB2 HIS A 37 2.985 15.400 6.405 1.00 10.00 H new ATOM 0 HB3 HIS A 37 1.346 15.798 6.882 1.00 10.00 H new ATOM 0 HD1 HIS A 37 4.452 14.013 8.033 1.00 10.00 H new ATOM 0 HD2 HIS A 37 0.611 15.040 9.452 1.00 10.00 H new ATOM 0 HE1 HIS A 37 4.445 13.616 10.546 1.00 10.00 H new ATOM 357 N THR A 38 1.938 11.482 6.458 1.00 10.00 N ATOM 358 CA THR A 38 2.715 10.256 6.565 1.00 10.00 C ATOM 359 C THR A 38 2.844 9.578 5.198 1.00 10.00 C ATOM 360 O THR A 38 1.840 9.307 4.540 1.00 10.00 O ATOM 361 CB THR A 38 2.061 9.292 7.575 1.00 10.00 C ATOM 362 OG1 THR A 38 1.798 9.991 8.800 1.00 10.00 O ATOM 363 CG2 THR A 38 2.955 8.095 7.854 1.00 10.00 C ATOM 0 H THR A 38 0.951 11.375 6.690 1.00 10.00 H new ATOM 0 HA THR A 38 3.713 10.514 6.920 1.00 10.00 H new ATOM 0 HB THR A 38 1.128 8.927 7.145 1.00 10.00 H new ATOM 0 HG1 THR A 38 1.381 9.380 9.442 1.00 10.00 H new ATOM 0 HG21 THR A 38 2.466 7.434 8.570 1.00 10.00 H new ATOM 0 HG22 THR A 38 3.138 7.553 6.926 1.00 10.00 H new ATOM 0 HG23 THR A 38 3.904 8.438 8.267 1.00 10.00 H new ATOM 371 N PRO A 39 4.085 9.325 4.746 1.00 10.00 N ATOM 372 CA PRO A 39 4.352 8.684 3.448 1.00 10.00 C ATOM 373 C PRO A 39 3.610 7.363 3.269 1.00 10.00 C ATOM 374 O PRO A 39 3.599 6.512 4.166 1.00 10.00 O ATOM 375 CB PRO A 39 5.861 8.443 3.475 1.00 10.00 C ATOM 376 CG PRO A 39 6.393 9.459 4.421 1.00 10.00 C ATOM 377 CD PRO A 39 5.332 9.651 5.464 1.00 10.00 C ATOM 0 HA PRO A 39 4.014 9.307 2.620 1.00 10.00 H new ATOM 0 HB2 PRO A 39 6.094 7.432 3.809 1.00 10.00 H new ATOM 0 HB3 PRO A 39 6.298 8.560 2.483 1.00 10.00 H new ATOM 0 HG2 PRO A 39 7.326 9.121 4.872 1.00 10.00 H new ATOM 0 HG3 PRO A 39 6.608 10.396 3.907 1.00 10.00 H new ATOM 0 HD2 PRO A 39 5.486 8.994 6.320 1.00 10.00 H new ATOM 0 HD3 PRO A 39 5.322 10.673 5.844 1.00 10.00 H new ATOM 385 N LEU A 40 3.014 7.185 2.093 1.00 10.00 N ATOM 386 CA LEU A 40 2.267 5.973 1.787 1.00 10.00 C ATOM 387 C LEU A 40 3.202 4.780 1.624 1.00 10.00 C ATOM 388 O LEU A 40 2.757 3.631 1.591 1.00 10.00 O ATOM 389 CB LEU A 40 1.421 6.161 0.527 1.00 10.00 C ATOM 390 CG LEU A 40 0.169 7.026 0.713 1.00 10.00 C ATOM 391 CD1 LEU A 40 -0.516 7.265 -0.619 1.00 10.00 C ATOM 392 CD2 LEU A 40 -0.795 6.371 1.694 1.00 10.00 C ATOM 0 H LEU A 40 3.035 7.868 1.336 1.00 10.00 H new ATOM 0 HA LEU A 40 1.600 5.772 2.626 1.00 10.00 H new ATOM 0 HB2 LEU A 40 2.043 6.610 -0.247 1.00 10.00 H new ATOM 0 HB3 LEU A 40 1.116 5.180 0.162 1.00 10.00 H new ATOM 0 HG LEU A 40 0.477 7.988 1.122 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -1.402 7.881 -0.467 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.170 7.777 -1.294 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -0.808 6.309 -1.054 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -1.677 7.000 1.812 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -1.094 5.395 1.313 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -0.304 6.249 2.660 1.00 10.00 H new ATOM 404 N SER A 41 4.495 5.059 1.524 1.00 10.00 N ATOM 405 CA SER A 41 5.493 4.013 1.397 1.00 10.00 C ATOM 406 C SER A 41 5.469 3.136 2.644 1.00 10.00 C ATOM 407 O SER A 41 5.567 1.911 2.567 1.00 10.00 O ATOM 408 CB SER A 41 6.871 4.641 1.209 1.00 10.00 C ATOM 409 OG SER A 41 6.826 6.034 1.483 1.00 10.00 O ATOM 0 H SER A 41 4.875 6.005 1.529 1.00 10.00 H new ATOM 0 HA SER A 41 5.271 3.394 0.528 1.00 10.00 H new ATOM 0 HB2 SER A 41 7.590 4.158 1.870 1.00 10.00 H new ATOM 0 HB3 SER A 41 7.216 4.476 0.188 1.00 10.00 H new ATOM 0 HG SER A 41 6.864 6.534 0.641 1.00 10.00 H new ATOM 415 N LYS A 42 5.299 3.780 3.795 1.00 10.00 N ATOM 416 CA LYS A 42 5.236 3.075 5.065 1.00 10.00 C ATOM 417 C LYS A 42 3.955 2.256 5.139 1.00 10.00 C ATOM 418 O LYS A 42 3.948 1.152 5.673 1.00 10.00 O ATOM 419 CB LYS A 42 5.297 4.065 6.230 1.00 10.00 C ATOM 420 CG LYS A 42 6.645 4.103 6.930 1.00 10.00 C ATOM 421 CD LYS A 42 7.272 5.488 6.874 1.00 10.00 C ATOM 422 CE LYS A 42 8.561 5.540 7.673 1.00 10.00 C ATOM 423 NZ LYS A 42 9.290 6.820 7.478 1.00 10.00 N ATOM 0 H LYS A 42 5.202 4.793 3.871 1.00 10.00 H new ATOM 0 HA LYS A 42 6.092 2.404 5.137 1.00 10.00 H new ATOM 0 HB2 LYS A 42 5.062 5.063 5.860 1.00 10.00 H new ATOM 0 HB3 LYS A 42 4.527 3.805 6.957 1.00 10.00 H new ATOM 0 HG2 LYS A 42 6.523 3.801 7.970 1.00 10.00 H new ATOM 0 HG3 LYS A 42 7.316 3.381 6.465 1.00 10.00 H new ATOM 0 HD2 LYS A 42 7.473 5.757 5.837 1.00 10.00 H new ATOM 0 HD3 LYS A 42 6.569 6.224 7.264 1.00 10.00 H new ATOM 0 HE2 LYS A 42 8.336 5.409 8.732 1.00 10.00 H new ATOM 0 HE3 LYS A 42 9.203 4.710 7.379 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 9.867 7.023 8.319 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 9.908 6.744 6.645 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 8.606 7.590 7.333 1.00 10.00 H new ATOM 437 N LEU A 43 2.883 2.806 4.581 1.00 10.00 N ATOM 438 CA LEU A 43 1.588 2.131 4.561 1.00 10.00 C ATOM 439 C LEU A 43 1.695 0.820 3.789 1.00 10.00 C ATOM 440 O LEU A 43 1.212 -0.223 4.235 1.00 10.00 O ATOM 441 CB LEU A 43 0.529 3.044 3.924 1.00 10.00 C ATOM 442 CG LEU A 43 -0.893 2.475 3.858 1.00 10.00 C ATOM 443 CD1 LEU A 43 -1.908 3.566 4.162 1.00 10.00 C ATOM 444 CD2 LEU A 43 -1.170 1.860 2.490 1.00 10.00 C ATOM 0 H LEU A 43 2.884 3.723 4.134 1.00 10.00 H new ATOM 0 HA LEU A 43 1.286 1.909 5.585 1.00 10.00 H new ATOM 0 HB2 LEU A 43 0.500 3.979 4.483 1.00 10.00 H new ATOM 0 HB3 LEU A 43 0.849 3.288 2.911 1.00 10.00 H new ATOM 0 HG LEU A 43 -0.983 1.689 4.608 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -2.915 3.151 4.112 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -1.728 3.962 5.161 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -1.810 4.368 3.431 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -2.185 1.463 2.468 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -1.062 2.623 1.719 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -0.461 1.053 2.303 1.00 10.00 H new ATOM 456 N MET A 44 2.346 0.889 2.634 1.00 10.00 N ATOM 457 CA MET A 44 2.533 -0.282 1.788 1.00 10.00 C ATOM 458 C MET A 44 3.407 -1.319 2.487 1.00 10.00 C ATOM 459 O MET A 44 3.085 -2.508 2.502 1.00 10.00 O ATOM 460 CB MET A 44 3.163 0.119 0.449 1.00 10.00 C ATOM 461 CG MET A 44 2.263 0.987 -0.415 1.00 10.00 C ATOM 462 SD MET A 44 2.908 1.216 -2.084 1.00 10.00 S ATOM 463 CE MET A 44 4.323 2.268 -1.772 1.00 10.00 C ATOM 0 H MET A 44 2.754 1.746 2.262 1.00 10.00 H new ATOM 0 HA MET A 44 1.554 -0.723 1.599 1.00 10.00 H new ATOM 0 HB2 MET A 44 4.093 0.654 0.641 1.00 10.00 H new ATOM 0 HB3 MET A 44 3.423 -0.783 -0.105 1.00 10.00 H new ATOM 0 HG2 MET A 44 1.274 0.533 -0.472 1.00 10.00 H new ATOM 0 HG3 MET A 44 2.140 1.961 0.059 1.00 10.00 H new ATOM 0 HE1 MET A 44 4.813 2.509 -2.716 1.00 10.00 H new ATOM 0 HE2 MET A 44 3.993 3.188 -1.289 1.00 10.00 H new ATOM 0 HE3 MET A 44 5.026 1.749 -1.121 1.00 10.00 H new ATOM 473 N LYS A 45 4.499 -0.854 3.084 1.00 10.00 N ATOM 474 CA LYS A 45 5.424 -1.735 3.786 1.00 10.00 C ATOM 475 C LYS A 45 4.766 -2.363 5.011 1.00 10.00 C ATOM 476 O LYS A 45 5.018 -3.525 5.326 1.00 10.00 O ATOM 477 CB LYS A 45 6.684 -0.971 4.201 1.00 10.00 C ATOM 478 CG LYS A 45 7.559 -0.555 3.028 1.00 10.00 C ATOM 479 CD LYS A 45 8.923 -0.056 3.486 1.00 10.00 C ATOM 480 CE LYS A 45 8.812 1.206 4.328 1.00 10.00 C ATOM 481 NZ LYS A 45 10.136 1.839 4.554 1.00 10.00 N ATOM 0 H LYS A 45 4.765 0.131 3.095 1.00 10.00 H new ATOM 0 HA LYS A 45 5.705 -2.535 3.101 1.00 10.00 H new ATOM 0 HB2 LYS A 45 6.392 -0.081 4.759 1.00 10.00 H new ATOM 0 HB3 LYS A 45 7.270 -1.593 4.877 1.00 10.00 H new ATOM 0 HG2 LYS A 45 7.690 -1.402 2.354 1.00 10.00 H new ATOM 0 HG3 LYS A 45 7.057 0.229 2.461 1.00 10.00 H new ATOM 0 HD2 LYS A 45 9.419 -0.836 4.064 1.00 10.00 H new ATOM 0 HD3 LYS A 45 9.548 0.142 2.615 1.00 10.00 H new ATOM 0 HE2 LYS A 45 8.150 1.916 3.832 1.00 10.00 H new ATOM 0 HE3 LYS A 45 8.357 0.963 5.288 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 10.017 2.696 5.132 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 10.760 1.171 5.050 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 10.559 2.094 3.639 1.00 10.00 H new ATOM 495 N ALA A 46 3.928 -1.594 5.698 1.00 10.00 N ATOM 496 CA ALA A 46 3.236 -2.085 6.883 1.00 10.00 C ATOM 497 C ALA A 46 2.327 -3.253 6.532 1.00 10.00 C ATOM 498 O ALA A 46 2.382 -4.306 7.168 1.00 10.00 O ATOM 499 CB ALA A 46 2.435 -0.971 7.535 1.00 10.00 C ATOM 0 H ALA A 46 3.712 -0.628 5.454 1.00 10.00 H new ATOM 0 HA ALA A 46 3.986 -2.434 7.592 1.00 10.00 H new ATOM 0 HB1 ALA A 46 1.926 -1.358 8.418 1.00 10.00 H new ATOM 0 HB2 ALA A 46 3.106 -0.164 7.828 1.00 10.00 H new ATOM 0 HB3 ALA A 46 1.697 -0.591 6.828 1.00 10.00 H new ATOM 505 N TYR A 47 1.500 -3.074 5.507 1.00 10.00 N ATOM 506 CA TYR A 47 0.588 -4.124 5.075 1.00 10.00 C ATOM 507 C TYR A 47 1.372 -5.331 4.571 1.00 10.00 C ATOM 508 O TYR A 47 1.032 -6.477 4.870 1.00 10.00 O ATOM 509 CB TYR A 47 -0.350 -3.609 3.980 1.00 10.00 C ATOM 510 CG TYR A 47 -1.445 -4.588 3.606 1.00 10.00 C ATOM 511 CD1 TYR A 47 -1.484 -5.173 2.346 1.00 10.00 C ATOM 512 CD2 TYR A 47 -2.435 -4.930 4.518 1.00 10.00 C ATOM 513 CE1 TYR A 47 -2.482 -6.068 2.005 1.00 10.00 C ATOM 514 CE2 TYR A 47 -3.435 -5.824 4.185 1.00 10.00 C ATOM 515 CZ TYR A 47 -3.453 -6.390 2.927 1.00 10.00 C ATOM 516 OH TYR A 47 -4.446 -7.282 2.592 1.00 10.00 O ATOM 0 H TYR A 47 1.443 -2.214 4.962 1.00 10.00 H new ATOM 0 HA TYR A 47 -0.015 -4.428 5.931 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -0.806 -2.677 4.314 1.00 10.00 H new ATOM 0 HB3 TYR A 47 0.237 -3.376 3.091 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -0.723 -4.925 1.621 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -2.423 -4.490 5.504 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -2.500 -6.512 1.021 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -4.198 -6.078 4.906 1.00 10.00 H new ATOM 0 HH TYR A 47 -5.050 -7.401 3.355 1.00 10.00 H new ATOM 526 N CYS A 48 2.433 -5.059 3.823 1.00 10.00 N ATOM 527 CA CYS A 48 3.278 -6.107 3.271 1.00 10.00 C ATOM 528 C CYS A 48 3.918 -6.935 4.380 1.00 10.00 C ATOM 529 O CYS A 48 3.962 -8.166 4.306 1.00 10.00 O ATOM 530 CB CYS A 48 4.362 -5.491 2.391 1.00 10.00 C ATOM 531 SG CYS A 48 5.204 -6.682 1.335 1.00 10.00 S ATOM 0 H CYS A 48 2.730 -4.113 3.584 1.00 10.00 H new ATOM 0 HA CYS A 48 2.654 -6.767 2.669 1.00 10.00 H new ATOM 0 HB2 CYS A 48 3.914 -4.718 1.766 1.00 10.00 H new ATOM 0 HB3 CYS A 48 5.098 -5.000 3.027 1.00 10.00 H new ATOM 0 HG CYS A 48 6.083 -7.337 2.034 1.00 10.00 H new ATOM 537 N GLU A 49 4.403 -6.253 5.410 1.00 10.00 N ATOM 538 CA GLU A 49 5.042 -6.909 6.541 1.00 10.00 C ATOM 539 C GLU A 49 4.078 -7.867 7.234 1.00 10.00 C ATOM 540 O GLU A 49 4.469 -8.940 7.692 1.00 10.00 O ATOM 541 CB GLU A 49 5.534 -5.865 7.540 1.00 10.00 C ATOM 542 CG GLU A 49 7.032 -5.906 7.788 1.00 10.00 C ATOM 543 CD GLU A 49 7.439 -5.097 8.999 1.00 10.00 C ATOM 544 OE1 GLU A 49 8.241 -4.155 8.851 1.00 10.00 O ATOM 545 OE2 GLU A 49 6.957 -5.402 10.110 1.00 10.00 O ATOM 0 H GLU A 49 4.365 -5.236 5.484 1.00 10.00 H new ATOM 0 HA GLU A 49 5.889 -7.483 6.166 1.00 10.00 H new ATOM 0 HB2 GLU A 49 5.263 -4.874 7.177 1.00 10.00 H new ATOM 0 HB3 GLU A 49 5.015 -6.010 8.487 1.00 10.00 H new ATOM 0 HG2 GLU A 49 7.347 -6.941 7.923 1.00 10.00 H new ATOM 0 HG3 GLU A 49 7.553 -5.527 6.909 1.00 10.00 H new ATOM 552 N ARG A 50 2.814 -7.478 7.295 1.00 10.00 N ATOM 553 CA ARG A 50 1.794 -8.292 7.939 1.00 10.00 C ATOM 554 C ARG A 50 1.445 -9.511 7.094 1.00 10.00 C ATOM 555 O ARG A 50 0.993 -10.530 7.615 1.00 10.00 O ATOM 556 CB ARG A 50 0.556 -7.448 8.211 1.00 10.00 C ATOM 557 CG ARG A 50 0.864 -6.220 9.043 1.00 10.00 C ATOM 558 CD ARG A 50 -0.347 -5.325 9.180 1.00 10.00 C ATOM 559 NE ARG A 50 -0.912 -5.385 10.524 1.00 10.00 N ATOM 560 CZ ARG A 50 -2.162 -5.049 10.807 1.00 10.00 C ATOM 561 NH1 ARG A 50 -2.975 -4.671 9.831 1.00 10.00 N ATOM 562 NH2 ARG A 50 -2.605 -5.098 12.060 1.00 10.00 N ATOM 0 H ARG A 50 2.469 -6.601 6.905 1.00 10.00 H new ATOM 0 HA ARG A 50 2.189 -8.655 8.888 1.00 10.00 H new ATOM 0 HB2 ARG A 50 0.115 -7.140 7.263 1.00 10.00 H new ATOM 0 HB3 ARG A 50 -0.188 -8.055 8.727 1.00 10.00 H new ATOM 0 HG2 ARG A 50 1.205 -6.526 10.032 1.00 10.00 H new ATOM 0 HG3 ARG A 50 1.680 -5.662 8.582 1.00 10.00 H new ATOM 0 HD2 ARG A 50 -0.068 -4.297 8.948 1.00 10.00 H new ATOM 0 HD3 ARG A 50 -1.103 -5.622 8.453 1.00 10.00 H new ATOM 0 HE ARG A 50 -0.313 -5.702 11.286 1.00 10.00 H new ATOM 0 HH11 ARG A 50 -2.637 -4.640 8.869 1.00 10.00 H new ATOM 0 HH12 ARG A 50 -3.939 -4.411 10.042 1.00 10.00 H new ATOM 0 HH21 ARG A 50 -1.981 -5.396 12.810 1.00 10.00 H new ATOM 0 HH22 ARG A 50 -3.568 -4.838 12.271 1.00 10.00 H new ATOM 576 N GLN A 51 1.652 -9.407 5.790 1.00 10.00 N ATOM 577 CA GLN A 51 1.378 -10.521 4.895 1.00 10.00 C ATOM 578 C GLN A 51 2.586 -11.453 4.856 1.00 10.00 C ATOM 579 O GLN A 51 2.467 -12.633 4.529 1.00 10.00 O ATOM 580 CB GLN A 51 1.046 -10.024 3.482 1.00 10.00 C ATOM 581 CG GLN A 51 -0.127 -9.053 3.426 1.00 10.00 C ATOM 582 CD GLN A 51 -1.417 -9.642 3.968 1.00 10.00 C ATOM 583 OE1 GLN A 51 -1.688 -9.576 5.167 1.00 10.00 O ATOM 584 NE2 GLN A 51 -2.224 -10.213 3.091 1.00 10.00 N ATOM 0 H GLN A 51 2.006 -8.568 5.330 1.00 10.00 H new ATOM 0 HA GLN A 51 0.511 -11.065 5.271 1.00 10.00 H new ATOM 0 HB2 GLN A 51 1.927 -9.538 3.063 1.00 10.00 H new ATOM 0 HB3 GLN A 51 0.824 -10.883 2.849 1.00 10.00 H new ATOM 0 HG2 GLN A 51 0.123 -8.158 3.995 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -0.283 -8.741 2.393 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -1.964 -10.248 2.105 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -3.107 -10.619 3.400 1.00 10.00 H new ATOM 593 N GLY A 52 3.747 -10.909 5.206 1.00 10.00 N ATOM 594 CA GLY A 52 4.971 -11.687 5.213 1.00 10.00 C ATOM 595 C GLY A 52 5.567 -11.818 3.830 1.00 10.00 C ATOM 596 O GLY A 52 6.134 -12.853 3.482 1.00 10.00 O ATOM 0 H GLY A 52 3.861 -9.935 5.487 1.00 10.00 H new ATOM 0 HA2 GLY A 52 5.696 -11.216 5.877 1.00 10.00 H new ATOM 0 HA3 GLY A 52 4.767 -12.679 5.616 1.00 10.00 H new ATOM 600 N LEU A 53 5.438 -10.764 3.037 1.00 10.00 N ATOM 601 CA LEU A 53 5.953 -10.763 1.678 1.00 10.00 C ATOM 602 C LEU A 53 6.911 -9.597 1.469 1.00 10.00 C ATOM 603 O LEU A 53 7.310 -8.928 2.425 1.00 10.00 O ATOM 604 CB LEU A 53 4.795 -10.664 0.676 1.00 10.00 C ATOM 605 CG LEU A 53 3.640 -11.641 0.910 1.00 10.00 C ATOM 606 CD1 LEU A 53 2.465 -11.305 0.006 1.00 10.00 C ATOM 607 CD2 LEU A 53 4.094 -13.073 0.679 1.00 10.00 C ATOM 0 H LEU A 53 4.979 -9.896 3.314 1.00 10.00 H new ATOM 0 HA LEU A 53 6.493 -11.696 1.515 1.00 10.00 H new ATOM 0 HB2 LEU A 53 4.400 -9.648 0.702 1.00 10.00 H new ATOM 0 HB3 LEU A 53 5.189 -10.827 -0.327 1.00 10.00 H new ATOM 0 HG LEU A 53 3.317 -11.545 1.947 1.00 10.00 H new ATOM 0 HD11 LEU A 53 1.654 -12.010 0.187 1.00 10.00 H new ATOM 0 HD12 LEU A 53 2.120 -10.293 0.218 1.00 10.00 H new ATOM 0 HD13 LEU A 53 2.777 -11.371 -1.036 1.00 10.00 H new ATOM 0 HD21 LEU A 53 3.259 -13.752 0.850 1.00 10.00 H new ATOM 0 HD22 LEU A 53 4.446 -13.182 -0.347 1.00 10.00 H new ATOM 0 HD23 LEU A 53 4.904 -13.313 1.368 1.00 10.00 H new ATOM 619 N SER A 54 7.273 -9.363 0.219 1.00 10.00 N ATOM 620 CA SER A 54 8.162 -8.272 -0.140 1.00 10.00 C ATOM 621 C SER A 54 7.382 -7.231 -0.933 1.00 10.00 C ATOM 622 O SER A 54 6.493 -7.582 -1.716 1.00 10.00 O ATOM 623 CB SER A 54 9.340 -8.803 -0.966 1.00 10.00 C ATOM 624 OG SER A 54 9.985 -7.762 -1.681 1.00 10.00 O ATOM 0 H SER A 54 6.959 -9.923 -0.574 1.00 10.00 H new ATOM 0 HA SER A 54 8.559 -7.811 0.764 1.00 10.00 H new ATOM 0 HB2 SER A 54 10.057 -9.291 -0.306 1.00 10.00 H new ATOM 0 HB3 SER A 54 8.984 -9.559 -1.665 1.00 10.00 H new ATOM 0 HG SER A 54 10.732 -8.133 -2.196 1.00 10.00 H new ATOM 630 N MET A 55 7.706 -5.954 -0.737 1.00 10.00 N ATOM 631 CA MET A 55 7.017 -4.879 -1.446 1.00 10.00 C ATOM 632 C MET A 55 7.319 -4.949 -2.939 1.00 10.00 C ATOM 633 O MET A 55 6.668 -4.297 -3.754 1.00 10.00 O ATOM 634 CB MET A 55 7.418 -3.509 -0.891 1.00 10.00 C ATOM 635 CG MET A 55 6.285 -2.497 -0.907 1.00 10.00 C ATOM 636 SD MET A 55 6.832 -0.830 -0.492 1.00 10.00 S ATOM 637 CE MET A 55 7.574 -0.321 -2.042 1.00 10.00 C ATOM 0 H MET A 55 8.436 -5.641 -0.098 1.00 10.00 H new ATOM 0 HA MET A 55 5.945 -5.008 -1.295 1.00 10.00 H new ATOM 0 HB2 MET A 55 7.773 -3.630 0.132 1.00 10.00 H new ATOM 0 HB3 MET A 55 8.252 -3.119 -1.474 1.00 10.00 H new ATOM 0 HG2 MET A 55 5.826 -2.488 -1.895 1.00 10.00 H new ATOM 0 HG3 MET A 55 5.516 -2.809 -0.201 1.00 10.00 H new ATOM 0 HE1 MET A 55 8.531 0.162 -1.846 1.00 10.00 H new ATOM 0 HE2 MET A 55 7.731 -1.195 -2.674 1.00 10.00 H new ATOM 0 HE3 MET A 55 6.911 0.380 -2.550 1.00 10.00 H new ATOM 647 N ARG A 56 8.308 -5.759 -3.290 1.00 10.00 N ATOM 648 CA ARG A 56 8.698 -5.941 -4.676 1.00 10.00 C ATOM 649 C ARG A 56 7.815 -7.000 -5.336 1.00 10.00 C ATOM 650 O ARG A 56 7.829 -7.161 -6.556 1.00 10.00 O ATOM 651 CB ARG A 56 10.171 -6.353 -4.758 1.00 10.00 C ATOM 652 CG ARG A 56 10.725 -6.357 -6.171 1.00 10.00 C ATOM 653 CD ARG A 56 12.141 -6.900 -6.217 1.00 10.00 C ATOM 654 NE ARG A 56 12.620 -7.027 -7.589 1.00 10.00 N ATOM 655 CZ ARG A 56 13.445 -6.165 -8.178 1.00 10.00 C ATOM 656 NH1 ARG A 56 13.913 -5.117 -7.507 1.00 10.00 N ATOM 657 NH2 ARG A 56 13.803 -6.357 -9.439 1.00 10.00 N ATOM 0 H ARG A 56 8.858 -6.304 -2.625 1.00 10.00 H new ATOM 0 HA ARG A 56 8.568 -4.997 -5.206 1.00 10.00 H new ATOM 0 HB2 ARG A 56 10.764 -5.673 -4.147 1.00 10.00 H new ATOM 0 HB3 ARG A 56 10.285 -7.349 -4.329 1.00 10.00 H new ATOM 0 HG2 ARG A 56 10.083 -6.961 -6.812 1.00 10.00 H new ATOM 0 HG3 ARG A 56 10.711 -5.343 -6.570 1.00 10.00 H new ATOM 0 HD2 ARG A 56 12.804 -6.239 -5.659 1.00 10.00 H new ATOM 0 HD3 ARG A 56 12.175 -7.873 -5.727 1.00 10.00 H new ATOM 0 HE ARG A 56 12.302 -7.829 -8.133 1.00 10.00 H new ATOM 0 HH11 ARG A 56 13.640 -4.970 -6.535 1.00 10.00 H new ATOM 0 HH12 ARG A 56 14.545 -4.460 -7.964 1.00 10.00 H new ATOM 0 HH21 ARG A 56 13.446 -7.162 -9.953 1.00 10.00 H new ATOM 0 HH22 ARG A 56 14.435 -5.699 -9.895 1.00 10.00 H new ATOM 671 N GLN A 57 7.021 -7.691 -4.524 1.00 10.00 N ATOM 672 CA GLN A 57 6.138 -8.744 -5.016 1.00 10.00 C ATOM 673 C GLN A 57 4.705 -8.240 -5.212 1.00 10.00 C ATOM 674 O GLN A 57 4.015 -8.663 -6.139 1.00 10.00 O ATOM 675 CB GLN A 57 6.140 -9.929 -4.042 1.00 10.00 C ATOM 676 CG GLN A 57 5.171 -11.037 -4.423 1.00 10.00 C ATOM 677 CD GLN A 57 5.008 -12.074 -3.331 1.00 10.00 C ATOM 678 OE1 GLN A 57 5.943 -12.366 -2.586 1.00 10.00 O ATOM 679 NE2 GLN A 57 3.816 -12.638 -3.222 1.00 10.00 N ATOM 0 H GLN A 57 6.971 -7.540 -3.517 1.00 10.00 H new ATOM 0 HA GLN A 57 6.517 -9.064 -5.987 1.00 10.00 H new ATOM 0 HB2 GLN A 57 7.147 -10.342 -3.989 1.00 10.00 H new ATOM 0 HB3 GLN A 57 5.891 -9.568 -3.044 1.00 10.00 H new ATOM 0 HG2 GLN A 57 4.199 -10.601 -4.652 1.00 10.00 H new ATOM 0 HG3 GLN A 57 5.523 -11.525 -5.332 1.00 10.00 H new ATOM 0 HE21 GLN A 57 3.065 -12.370 -3.858 1.00 10.00 H new ATOM 0 HE22 GLN A 57 3.648 -13.341 -2.502 1.00 10.00 H new ATOM 688 N ILE A 58 4.254 -7.341 -4.347 1.00 10.00 N ATOM 689 CA ILE A 58 2.893 -6.822 -4.443 1.00 10.00 C ATOM 690 C ILE A 58 2.847 -5.440 -5.089 1.00 10.00 C ATOM 691 O ILE A 58 3.843 -4.718 -5.124 1.00 10.00 O ATOM 692 CB ILE A 58 2.209 -6.766 -3.062 1.00 10.00 C ATOM 693 CG1 ILE A 58 3.059 -5.970 -2.068 1.00 10.00 C ATOM 694 CG2 ILE A 58 1.953 -8.175 -2.545 1.00 10.00 C ATOM 695 CD1 ILE A 58 2.425 -5.847 -0.700 1.00 10.00 C ATOM 0 H ILE A 58 4.803 -6.958 -3.578 1.00 10.00 H new ATOM 0 HA ILE A 58 2.349 -7.518 -5.082 1.00 10.00 H new ATOM 0 HB ILE A 58 1.251 -6.257 -3.170 1.00 10.00 H new ATOM 0 HG12 ILE A 58 4.032 -6.450 -1.967 1.00 10.00 H new ATOM 0 HG13 ILE A 58 3.236 -4.972 -2.470 1.00 10.00 H new ATOM 0 HG21 ILE A 58 1.470 -8.122 -1.569 1.00 10.00 H new ATOM 0 HG22 ILE A 58 1.305 -8.706 -3.242 1.00 10.00 H new ATOM 0 HG23 ILE A 58 2.900 -8.706 -2.453 1.00 10.00 H new ATOM 0 HD11 ILE A 58 3.080 -5.272 -0.046 1.00 10.00 H new ATOM 0 HD12 ILE A 58 1.464 -5.340 -0.789 1.00 10.00 H new ATOM 0 HD13 ILE A 58 2.273 -6.841 -0.279 1.00 10.00 H new ATOM 707 N ARG A 59 1.681 -5.091 -5.618 1.00 10.00 N ATOM 708 CA ARG A 59 1.478 -3.804 -6.271 1.00 10.00 C ATOM 709 C ARG A 59 0.249 -3.108 -5.695 1.00 10.00 C ATOM 710 O ARG A 59 -0.813 -3.716 -5.573 1.00 10.00 O ATOM 711 CB ARG A 59 1.289 -3.987 -7.782 1.00 10.00 C ATOM 712 CG ARG A 59 2.398 -4.775 -8.458 1.00 10.00 C ATOM 713 CD ARG A 59 3.700 -3.992 -8.498 1.00 10.00 C ATOM 714 NE ARG A 59 4.796 -4.796 -9.035 1.00 10.00 N ATOM 715 CZ ARG A 59 5.785 -5.296 -8.298 1.00 10.00 C ATOM 716 NH1 ARG A 59 5.832 -5.078 -6.990 1.00 10.00 N ATOM 717 NH2 ARG A 59 6.725 -6.032 -8.873 1.00 10.00 N ATOM 0 H ARG A 59 0.854 -5.688 -5.607 1.00 10.00 H new ATOM 0 HA ARG A 59 2.362 -3.192 -6.092 1.00 10.00 H new ATOM 0 HB2 ARG A 59 0.340 -4.492 -7.959 1.00 10.00 H new ATOM 0 HB3 ARG A 59 1.220 -3.005 -8.250 1.00 10.00 H new ATOM 0 HG2 ARG A 59 2.554 -5.713 -7.926 1.00 10.00 H new ATOM 0 HG3 ARG A 59 2.096 -5.031 -9.474 1.00 10.00 H new ATOM 0 HD2 ARG A 59 3.570 -3.099 -9.110 1.00 10.00 H new ATOM 0 HD3 ARG A 59 3.954 -3.655 -7.493 1.00 10.00 H new ATOM 0 HE ARG A 59 4.803 -4.986 -10.037 1.00 10.00 H new ATOM 0 HH11 ARG A 59 5.105 -4.522 -6.539 1.00 10.00 H new ATOM 0 HH12 ARG A 59 6.595 -5.466 -6.435 1.00 10.00 H new ATOM 0 HH21 ARG A 59 6.689 -6.213 -9.876 1.00 10.00 H new ATOM 0 HH22 ARG A 59 7.485 -6.417 -8.312 1.00 10.00 H new ATOM 731 N PHE A 60 0.394 -1.841 -5.343 1.00 10.00 N ATOM 732 CA PHE A 60 -0.713 -1.071 -4.792 1.00 10.00 C ATOM 733 C PHE A 60 -1.283 -0.130 -5.844 1.00 10.00 C ATOM 734 O PHE A 60 -0.537 0.590 -6.512 1.00 10.00 O ATOM 735 CB PHE A 60 -0.259 -0.267 -3.573 1.00 10.00 C ATOM 736 CG PHE A 60 -0.106 -1.091 -2.327 1.00 10.00 C ATOM 737 CD1 PHE A 60 0.991 -1.922 -2.162 1.00 10.00 C ATOM 738 CD2 PHE A 60 -1.051 -1.028 -1.317 1.00 10.00 C ATOM 739 CE1 PHE A 60 1.140 -2.676 -1.019 1.00 10.00 C ATOM 740 CE2 PHE A 60 -0.908 -1.782 -0.167 1.00 10.00 C ATOM 741 CZ PHE A 60 0.191 -2.607 -0.017 1.00 10.00 C ATOM 0 H PHE A 60 1.268 -1.322 -5.429 1.00 10.00 H new ATOM 0 HA PHE A 60 -1.489 -1.771 -4.482 1.00 10.00 H new ATOM 0 HB2 PHE A 60 0.693 0.212 -3.800 1.00 10.00 H new ATOM 0 HB3 PHE A 60 -0.980 0.529 -3.385 1.00 10.00 H new ATOM 0 HD1 PHE A 60 1.738 -1.979 -2.940 1.00 10.00 H new ATOM 0 HD2 PHE A 60 -1.910 -0.382 -1.429 1.00 10.00 H new ATOM 0 HE1 PHE A 60 1.999 -3.321 -0.906 1.00 10.00 H new ATOM 0 HE2 PHE A 60 -1.653 -1.727 0.613 1.00 10.00 H new ATOM 0 HZ PHE A 60 0.308 -3.196 0.881 1.00 10.00 H new ATOM 751 N ARG A 61 -2.598 -0.137 -5.992 1.00 10.00 N ATOM 752 CA ARG A 61 -3.252 0.717 -6.971 1.00 10.00 C ATOM 753 C ARG A 61 -4.369 1.522 -6.322 1.00 10.00 C ATOM 754 O ARG A 61 -5.139 1.002 -5.513 1.00 10.00 O ATOM 755 CB ARG A 61 -3.801 -0.118 -8.133 1.00 10.00 C ATOM 756 CG ARG A 61 -3.681 0.573 -9.482 1.00 10.00 C ATOM 757 CD ARG A 61 -3.920 -0.388 -10.636 1.00 10.00 C ATOM 758 NE ARG A 61 -3.477 0.179 -11.911 1.00 10.00 N ATOM 759 CZ ARG A 61 -2.619 -0.417 -12.740 1.00 10.00 C ATOM 760 NH1 ARG A 61 -2.177 -1.642 -12.481 1.00 10.00 N ATOM 761 NH2 ARG A 61 -2.231 0.202 -13.848 1.00 10.00 N ATOM 0 H ARG A 61 -3.232 -0.723 -5.449 1.00 10.00 H new ATOM 0 HA ARG A 61 -2.511 1.413 -7.365 1.00 10.00 H new ATOM 0 HB2 ARG A 61 -3.269 -1.068 -8.171 1.00 10.00 H new ATOM 0 HB3 ARG A 61 -4.849 -0.347 -7.942 1.00 10.00 H new ATOM 0 HG2 ARG A 61 -4.400 1.391 -9.536 1.00 10.00 H new ATOM 0 HG3 ARG A 61 -2.689 1.014 -9.577 1.00 10.00 H new ATOM 0 HD2 ARG A 61 -3.389 -1.321 -10.449 1.00 10.00 H new ATOM 0 HD3 ARG A 61 -4.981 -0.631 -10.694 1.00 10.00 H new ATOM 0 HE ARG A 61 -3.849 1.089 -12.183 1.00 10.00 H new ATOM 0 HH11 ARG A 61 -2.494 -2.132 -11.644 1.00 10.00 H new ATOM 0 HH12 ARG A 61 -1.521 -2.093 -13.119 1.00 10.00 H new ATOM 0 HH21 ARG A 61 -2.589 1.132 -14.065 1.00 10.00 H new ATOM 0 HH22 ARG A 61 -1.575 -0.253 -14.483 1.00 10.00 H new ATOM 775 N PHE A 62 -4.433 2.798 -6.670 1.00 10.00 N ATOM 776 CA PHE A 62 -5.446 3.693 -6.139 1.00 10.00 C ATOM 777 C PHE A 62 -6.023 4.553 -7.259 1.00 10.00 C ATOM 778 O PHE A 62 -5.289 5.283 -7.932 1.00 10.00 O ATOM 779 CB PHE A 62 -4.846 4.583 -5.046 1.00 10.00 C ATOM 780 CG PHE A 62 -5.822 5.559 -4.452 1.00 10.00 C ATOM 781 CD1 PHE A 62 -6.837 5.122 -3.619 1.00 10.00 C ATOM 782 CD2 PHE A 62 -5.723 6.914 -4.727 1.00 10.00 C ATOM 783 CE1 PHE A 62 -7.735 6.016 -3.070 1.00 10.00 C ATOM 784 CE2 PHE A 62 -6.618 7.814 -4.183 1.00 10.00 C ATOM 785 CZ PHE A 62 -7.626 7.364 -3.354 1.00 10.00 C ATOM 0 H PHE A 62 -3.787 3.239 -7.325 1.00 10.00 H new ATOM 0 HA PHE A 62 -6.248 3.097 -5.703 1.00 10.00 H new ATOM 0 HB2 PHE A 62 -4.451 3.950 -4.251 1.00 10.00 H new ATOM 0 HB3 PHE A 62 -4.003 5.135 -5.462 1.00 10.00 H new ATOM 0 HD1 PHE A 62 -6.928 4.069 -3.396 1.00 10.00 H new ATOM 0 HD2 PHE A 62 -4.936 7.270 -5.375 1.00 10.00 H new ATOM 0 HE1 PHE A 62 -8.521 5.662 -2.420 1.00 10.00 H new ATOM 0 HE2 PHE A 62 -6.530 8.867 -4.406 1.00 10.00 H new ATOM 0 HZ PHE A 62 -8.329 8.065 -2.928 1.00 10.00 H new ATOM 795 N ASP A 63 -7.333 4.441 -7.467 1.00 10.00 N ATOM 796 CA ASP A 63 -8.036 5.210 -8.499 1.00 10.00 C ATOM 797 C ASP A 63 -7.492 4.895 -9.897 1.00 10.00 C ATOM 798 O ASP A 63 -7.524 5.731 -10.802 1.00 10.00 O ATOM 799 CB ASP A 63 -7.937 6.715 -8.204 1.00 10.00 C ATOM 800 CG ASP A 63 -8.963 7.535 -8.965 1.00 10.00 C ATOM 801 OD1 ASP A 63 -10.174 7.248 -8.843 1.00 10.00 O ATOM 802 OD2 ASP A 63 -8.565 8.472 -9.687 1.00 10.00 O ATOM 0 H ASP A 63 -7.937 3.819 -6.930 1.00 10.00 H new ATOM 0 HA ASP A 63 -9.086 4.919 -8.480 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -8.068 6.880 -7.135 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -6.937 7.065 -8.460 1.00 10.00 H new ATOM 807 N GLY A 64 -6.992 3.679 -10.069 1.00 10.00 N ATOM 808 CA GLY A 64 -6.461 3.267 -11.356 1.00 10.00 C ATOM 809 C GLY A 64 -4.966 3.495 -11.490 1.00 10.00 C ATOM 810 O GLY A 64 -4.307 2.850 -12.308 1.00 10.00 O ATOM 0 H GLY A 64 -6.944 2.968 -9.339 1.00 10.00 H new ATOM 0 HA2 GLY A 64 -6.675 2.209 -11.508 1.00 10.00 H new ATOM 0 HA3 GLY A 64 -6.977 3.813 -12.146 1.00 10.00 H new ATOM 814 N GLN A 65 -4.421 4.396 -10.689 1.00 10.00 N ATOM 815 CA GLN A 65 -2.998 4.705 -10.747 1.00 10.00 C ATOM 816 C GLN A 65 -2.251 4.050 -9.588 1.00 10.00 C ATOM 817 O GLN A 65 -2.789 3.926 -8.491 1.00 10.00 O ATOM 818 CB GLN A 65 -2.788 6.219 -10.720 1.00 10.00 C ATOM 819 CG GLN A 65 -2.979 6.885 -12.074 1.00 10.00 C ATOM 820 CD GLN A 65 -1.923 6.466 -13.080 1.00 10.00 C ATOM 821 OE1 GLN A 65 -2.097 5.495 -13.820 1.00 10.00 O ATOM 822 NE2 GLN A 65 -0.824 7.200 -13.116 1.00 10.00 N ATOM 0 H GLN A 65 -4.941 4.927 -9.990 1.00 10.00 H new ATOM 0 HA GLN A 65 -2.599 4.306 -11.680 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -3.483 6.661 -10.006 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -1.782 6.431 -10.359 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -3.966 6.635 -12.463 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -2.950 7.968 -11.951 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -0.721 7.995 -12.486 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -0.079 6.971 -13.774 1.00 10.00 H new ATOM 831 N PRO A 66 -1.015 3.596 -9.823 1.00 10.00 N ATOM 832 CA PRO A 66 -0.205 2.956 -8.785 1.00 10.00 C ATOM 833 C PRO A 66 0.333 3.962 -7.768 1.00 10.00 C ATOM 834 O PRO A 66 0.495 5.150 -8.073 1.00 10.00 O ATOM 835 CB PRO A 66 0.943 2.323 -9.573 1.00 10.00 C ATOM 836 CG PRO A 66 1.080 3.172 -10.787 1.00 10.00 C ATOM 837 CD PRO A 66 -0.306 3.660 -11.116 1.00 10.00 C ATOM 0 HA PRO A 66 -0.782 2.241 -8.198 1.00 10.00 H new ATOM 0 HB2 PRO A 66 1.865 2.312 -8.991 1.00 10.00 H new ATOM 0 HB3 PRO A 66 0.720 1.289 -9.836 1.00 10.00 H new ATOM 0 HG2 PRO A 66 1.754 4.009 -10.603 1.00 10.00 H new ATOM 0 HG3 PRO A 66 1.499 2.602 -11.616 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -0.289 4.675 -11.514 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -0.784 3.031 -11.867 1.00 10.00 H new ATOM 845 N ILE A 67 0.605 3.486 -6.564 1.00 10.00 N ATOM 846 CA ILE A 67 1.125 4.339 -5.508 1.00 10.00 C ATOM 847 C ILE A 67 2.650 4.321 -5.519 1.00 10.00 C ATOM 848 O ILE A 67 3.269 3.256 -5.585 1.00 10.00 O ATOM 849 CB ILE A 67 0.606 3.904 -4.120 1.00 10.00 C ATOM 850 CG1 ILE A 67 -0.925 3.928 -4.098 1.00 10.00 C ATOM 851 CG2 ILE A 67 1.174 4.805 -3.027 1.00 10.00 C ATOM 852 CD1 ILE A 67 -1.520 3.552 -2.758 1.00 10.00 C ATOM 0 H ILE A 67 0.474 2.511 -6.293 1.00 10.00 H new ATOM 0 HA ILE A 67 0.772 5.353 -5.698 1.00 10.00 H new ATOM 0 HB ILE A 67 0.941 2.885 -3.927 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -1.268 4.926 -4.371 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -1.301 3.243 -4.858 1.00 10.00 H new ATOM 0 HG21 ILE A 67 0.796 4.482 -2.057 1.00 10.00 H new ATOM 0 HG22 ILE A 67 2.262 4.742 -3.032 1.00 10.00 H new ATOM 0 HG23 ILE A 67 0.870 5.835 -3.210 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -2.608 3.591 -2.819 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -1.208 2.542 -2.492 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -1.174 4.251 -1.997 1.00 10.00 H new ATOM 864 N ASN A 68 3.249 5.500 -5.474 1.00 10.00 N ATOM 865 CA ASN A 68 4.697 5.628 -5.485 1.00 10.00 C ATOM 866 C ASN A 68 5.235 5.694 -4.064 1.00 10.00 C ATOM 867 O ASN A 68 4.486 5.923 -3.114 1.00 10.00 O ATOM 868 CB ASN A 68 5.119 6.886 -6.251 1.00 10.00 C ATOM 869 CG ASN A 68 4.631 6.895 -7.687 1.00 10.00 C ATOM 870 OD1 ASN A 68 5.324 6.437 -8.596 1.00 10.00 O ATOM 871 ND2 ASN A 68 3.433 7.420 -7.904 1.00 10.00 N ATOM 0 H ASN A 68 2.750 6.388 -5.429 1.00 10.00 H new ATOM 0 HA ASN A 68 5.111 4.752 -5.984 1.00 10.00 H new ATOM 0 HB2 ASN A 68 4.733 7.765 -5.736 1.00 10.00 H new ATOM 0 HB3 ASN A 68 6.206 6.963 -6.242 1.00 10.00 H new ATOM 0 HD21 ASN A 68 3.055 7.455 -8.851 1.00 10.00 H new ATOM 0 HD22 ASN A 68 2.889 7.789 -7.124 1.00 10.00 H new ATOM 878 N GLU A 69 6.540 5.510 -3.927 1.00 10.00 N ATOM 879 CA GLU A 69 7.187 5.553 -2.621 1.00 10.00 C ATOM 880 C GLU A 69 7.201 6.979 -2.075 1.00 10.00 C ATOM 881 O GLU A 69 7.294 7.193 -0.869 1.00 10.00 O ATOM 882 CB GLU A 69 8.616 5.010 -2.716 1.00 10.00 C ATOM 883 CG GLU A 69 8.686 3.540 -3.095 1.00 10.00 C ATOM 884 CD GLU A 69 10.032 3.154 -3.673 1.00 10.00 C ATOM 885 OE1 GLU A 69 10.924 2.735 -2.904 1.00 10.00 O ATOM 886 OE2 GLU A 69 10.206 3.273 -4.903 1.00 10.00 O ATOM 0 H GLU A 69 7.174 5.329 -4.705 1.00 10.00 H new ATOM 0 HA GLU A 69 6.618 4.925 -1.936 1.00 10.00 H new ATOM 0 HB2 GLU A 69 9.169 5.593 -3.453 1.00 10.00 H new ATOM 0 HB3 GLU A 69 9.114 5.153 -1.757 1.00 10.00 H new ATOM 0 HG2 GLU A 69 8.484 2.931 -2.214 1.00 10.00 H new ATOM 0 HG3 GLU A 69 7.905 3.318 -3.822 1.00 10.00 H new ATOM 893 N THR A 70 7.099 7.946 -2.976 1.00 10.00 N ATOM 894 CA THR A 70 7.099 9.351 -2.599 1.00 10.00 C ATOM 895 C THR A 70 5.675 9.900 -2.489 1.00 10.00 C ATOM 896 O THR A 70 5.472 11.104 -2.314 1.00 10.00 O ATOM 897 CB THR A 70 7.887 10.178 -3.632 1.00 10.00 C ATOM 898 OG1 THR A 70 7.850 9.519 -4.907 1.00 10.00 O ATOM 899 CG2 THR A 70 9.332 10.359 -3.195 1.00 10.00 C ATOM 0 H THR A 70 7.015 7.781 -3.979 1.00 10.00 H new ATOM 0 HA THR A 70 7.576 9.431 -1.622 1.00 10.00 H new ATOM 0 HB THR A 70 7.424 11.162 -3.711 1.00 10.00 H new ATOM 0 HG1 THR A 70 8.350 10.048 -5.563 1.00 10.00 H new ATOM 0 HG21 THR A 70 9.867 10.946 -3.941 1.00 10.00 H new ATOM 0 HG22 THR A 70 9.360 10.878 -2.237 1.00 10.00 H new ATOM 0 HG23 THR A 70 9.806 9.383 -3.093 1.00 10.00 H new ATOM 907 N ASP A 71 4.692 9.011 -2.571 1.00 10.00 N ATOM 908 CA ASP A 71 3.291 9.412 -2.499 1.00 10.00 C ATOM 909 C ASP A 71 2.830 9.581 -1.055 1.00 10.00 C ATOM 910 O ASP A 71 3.381 8.974 -0.134 1.00 10.00 O ATOM 911 CB ASP A 71 2.399 8.396 -3.219 1.00 10.00 C ATOM 912 CG ASP A 71 2.054 8.827 -4.629 1.00 10.00 C ATOM 913 OD1 ASP A 71 1.782 10.025 -4.836 1.00 10.00 O ATOM 914 OD2 ASP A 71 2.050 7.967 -5.540 1.00 10.00 O ATOM 0 H ASP A 71 4.838 8.008 -2.687 1.00 10.00 H new ATOM 0 HA ASP A 71 3.203 10.377 -2.998 1.00 10.00 H new ATOM 0 HB2 ASP A 71 2.905 7.431 -3.251 1.00 10.00 H new ATOM 0 HB3 ASP A 71 1.480 8.256 -2.650 1.00 10.00 H new ATOM 919 N THR A 72 1.814 10.410 -0.872 1.00 10.00 N ATOM 920 CA THR A 72 1.256 10.683 0.445 1.00 10.00 C ATOM 921 C THR A 72 -0.266 10.803 0.343 1.00 10.00 C ATOM 922 O THR A 72 -0.788 11.066 -0.743 1.00 10.00 O ATOM 923 CB THR A 72 1.845 11.985 1.032 1.00 10.00 C ATOM 924 OG1 THR A 72 2.570 12.693 0.017 1.00 10.00 O ATOM 925 CG2 THR A 72 2.772 11.694 2.201 1.00 10.00 C ATOM 0 H THR A 72 1.353 10.912 -1.631 1.00 10.00 H new ATOM 0 HA THR A 72 1.515 9.858 1.109 1.00 10.00 H new ATOM 0 HB THR A 72 1.016 12.595 1.392 1.00 10.00 H new ATOM 0 HG1 THR A 72 2.940 13.518 0.395 1.00 10.00 H new ATOM 0 HG21 THR A 72 3.170 12.631 2.592 1.00 10.00 H new ATOM 0 HG22 THR A 72 2.217 11.180 2.986 1.00 10.00 H new ATOM 0 HG23 THR A 72 3.594 11.063 1.865 1.00 10.00 H new ATOM 933 N PRO A 73 -1.002 10.609 1.454 1.00 10.00 N ATOM 934 CA PRO A 73 -2.466 10.707 1.453 1.00 10.00 C ATOM 935 C PRO A 73 -2.949 12.060 0.941 1.00 10.00 C ATOM 936 O PRO A 73 -3.850 12.132 0.106 1.00 10.00 O ATOM 937 CB PRO A 73 -2.846 10.527 2.926 1.00 10.00 C ATOM 938 CG PRO A 73 -1.699 9.796 3.527 1.00 10.00 C ATOM 939 CD PRO A 73 -0.479 10.267 2.789 1.00 10.00 C ATOM 0 HA PRO A 73 -2.921 9.968 0.794 1.00 10.00 H new ATOM 0 HB2 PRO A 73 -3.002 11.489 3.415 1.00 10.00 H new ATOM 0 HB3 PRO A 73 -3.773 9.963 3.029 1.00 10.00 H new ATOM 0 HG2 PRO A 73 -1.616 10.007 4.593 1.00 10.00 H new ATOM 0 HG3 PRO A 73 -1.826 8.718 3.425 1.00 10.00 H new ATOM 0 HD2 PRO A 73 -0.022 11.129 3.275 1.00 10.00 H new ATOM 0 HD3 PRO A 73 0.284 9.490 2.735 1.00 10.00 H new ATOM 947 N ALA A 74 -2.330 13.129 1.433 1.00 10.00 N ATOM 948 CA ALA A 74 -2.689 14.481 1.020 1.00 10.00 C ATOM 949 C ALA A 74 -2.285 14.733 -0.430 1.00 10.00 C ATOM 950 O ALA A 74 -2.921 15.513 -1.135 1.00 10.00 O ATOM 951 CB ALA A 74 -2.038 15.508 1.937 1.00 10.00 C ATOM 0 H ALA A 74 -1.576 13.085 2.119 1.00 10.00 H new ATOM 0 HA ALA A 74 -3.772 14.582 1.095 1.00 10.00 H new ATOM 0 HB1 ALA A 74 -2.316 16.511 1.615 1.00 10.00 H new ATOM 0 HB2 ALA A 74 -2.377 15.348 2.961 1.00 10.00 H new ATOM 0 HB3 ALA A 74 -0.954 15.400 1.893 1.00 10.00 H new ATOM 957 N GLN A 75 -1.235 14.050 -0.871 1.00 10.00 N ATOM 958 CA GLN A 75 -0.735 14.194 -2.234 1.00 10.00 C ATOM 959 C GLN A 75 -1.751 13.664 -3.242 1.00 10.00 C ATOM 960 O GLN A 75 -1.991 14.282 -4.281 1.00 10.00 O ATOM 961 CB GLN A 75 0.594 13.448 -2.388 1.00 10.00 C ATOM 962 CG GLN A 75 1.271 13.661 -3.733 1.00 10.00 C ATOM 963 CD GLN A 75 1.550 15.122 -4.021 1.00 10.00 C ATOM 964 OE1 GLN A 75 2.591 15.656 -3.633 1.00 10.00 O ATOM 965 NE2 GLN A 75 0.625 15.776 -4.700 1.00 10.00 N ATOM 0 H GLN A 75 -0.710 13.387 -0.301 1.00 10.00 H new ATOM 0 HA GLN A 75 -0.575 15.254 -2.431 1.00 10.00 H new ATOM 0 HB2 GLN A 75 1.272 13.768 -1.597 1.00 10.00 H new ATOM 0 HB3 GLN A 75 0.419 12.382 -2.246 1.00 10.00 H new ATOM 0 HG2 GLN A 75 2.208 13.105 -3.756 1.00 10.00 H new ATOM 0 HG3 GLN A 75 0.639 13.253 -4.522 1.00 10.00 H new ATOM 0 HE21 GLN A 75 -0.222 15.295 -5.002 1.00 10.00 H new ATOM 0 HE22 GLN A 75 0.758 16.763 -4.923 1.00 10.00 H new ATOM 974 N LEU A 76 -2.355 12.526 -2.921 1.00 10.00 N ATOM 975 CA LEU A 76 -3.343 11.906 -3.797 1.00 10.00 C ATOM 976 C LEU A 76 -4.749 12.397 -3.472 1.00 10.00 C ATOM 977 O LEU A 76 -5.730 11.879 -4.013 1.00 10.00 O ATOM 978 CB LEU A 76 -3.281 10.381 -3.666 1.00 10.00 C ATOM 979 CG LEU A 76 -1.938 9.746 -4.036 1.00 10.00 C ATOM 980 CD1 LEU A 76 -1.989 8.239 -3.847 1.00 10.00 C ATOM 981 CD2 LEU A 76 -1.563 10.092 -5.470 1.00 10.00 C ATOM 0 H LEU A 76 -2.177 12.012 -2.058 1.00 10.00 H new ATOM 0 HA LEU A 76 -3.109 12.189 -4.823 1.00 10.00 H new ATOM 0 HB2 LEU A 76 -3.520 10.111 -2.637 1.00 10.00 H new ATOM 0 HB3 LEU A 76 -4.056 9.947 -4.298 1.00 10.00 H new ATOM 0 HG LEU A 76 -1.173 10.149 -3.372 1.00 10.00 H new ATOM 0 HD11 LEU A 76 -1.025 7.806 -4.115 1.00 10.00 H new ATOM 0 HD12 LEU A 76 -2.212 8.010 -2.805 1.00 10.00 H new ATOM 0 HD13 LEU A 76 -2.766 7.818 -4.485 1.00 10.00 H new ATOM 0 HD21 LEU A 76 -0.606 9.633 -5.717 1.00 10.00 H new ATOM 0 HD22 LEU A 76 -2.330 9.717 -6.147 1.00 10.00 H new ATOM 0 HD23 LEU A 76 -1.484 11.174 -5.574 1.00 10.00 H new ATOM 993 N GLU A 77 -4.832 13.394 -2.591 1.00 10.00 N ATOM 994 CA GLU A 77 -6.109 13.969 -2.170 1.00 10.00 C ATOM 995 C GLU A 77 -7.040 12.881 -1.648 1.00 10.00 C ATOM 996 O GLU A 77 -8.212 12.807 -2.018 1.00 10.00 O ATOM 997 CB GLU A 77 -6.766 14.730 -3.325 1.00 10.00 C ATOM 998 CG GLU A 77 -5.916 15.871 -3.857 1.00 10.00 C ATOM 999 CD GLU A 77 -6.671 16.748 -4.830 1.00 10.00 C ATOM 1000 OE1 GLU A 77 -7.325 17.711 -4.381 1.00 10.00 O ATOM 1001 OE2 GLU A 77 -6.613 16.481 -6.046 1.00 10.00 O ATOM 0 H GLU A 77 -4.019 13.824 -2.151 1.00 10.00 H new ATOM 0 HA GLU A 77 -5.916 14.674 -1.361 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -6.975 14.033 -4.137 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -7.725 15.126 -2.990 1.00 10.00 H new ATOM 0 HG2 GLU A 77 -5.564 16.478 -3.023 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -5.033 15.464 -4.349 1.00 10.00 H new ATOM 1008 N MET A 78 -6.497 12.034 -0.788 1.00 10.00 N ATOM 1009 CA MET A 78 -7.256 10.940 -0.209 1.00 10.00 C ATOM 1010 C MET A 78 -8.225 11.454 0.843 1.00 10.00 C ATOM 1011 O MET A 78 -7.928 12.409 1.566 1.00 10.00 O ATOM 1012 CB MET A 78 -6.309 9.915 0.412 1.00 10.00 C ATOM 1013 CG MET A 78 -5.785 8.889 -0.575 1.00 10.00 C ATOM 1014 SD MET A 78 -4.385 7.960 0.078 1.00 10.00 S ATOM 1015 CE MET A 78 -4.260 6.650 -1.133 1.00 10.00 C ATOM 0 H MET A 78 -5.528 12.085 -0.475 1.00 10.00 H new ATOM 0 HA MET A 78 -7.829 10.463 -1.004 1.00 10.00 H new ATOM 0 HB2 MET A 78 -5.465 10.439 0.860 1.00 10.00 H new ATOM 0 HB3 MET A 78 -6.827 9.397 1.219 1.00 10.00 H new ATOM 0 HG2 MET A 78 -6.586 8.198 -0.836 1.00 10.00 H new ATOM 0 HG3 MET A 78 -5.486 9.393 -1.494 1.00 10.00 H new ATOM 0 HE1 MET A 78 -3.337 6.093 -0.973 1.00 10.00 H new ATOM 0 HE2 MET A 78 -5.111 5.977 -1.030 1.00 10.00 H new ATOM 0 HE3 MET A 78 -4.256 7.080 -2.135 1.00 10.00 H new ATOM 1025 N GLU A 79 -9.380 10.821 0.919 1.00 10.00 N ATOM 1026 CA GLU A 79 -10.407 11.192 1.874 1.00 10.00 C ATOM 1027 C GLU A 79 -10.673 10.024 2.812 1.00 10.00 C ATOM 1028 O GLU A 79 -10.032 8.977 2.707 1.00 10.00 O ATOM 1029 CB GLU A 79 -11.694 11.591 1.147 1.00 10.00 C ATOM 1030 CG GLU A 79 -11.574 12.884 0.355 1.00 10.00 C ATOM 1031 CD GLU A 79 -11.779 14.118 1.213 1.00 10.00 C ATOM 1032 OE1 GLU A 79 -12.583 14.987 0.820 1.00 10.00 O ATOM 1033 OE2 GLU A 79 -11.137 14.226 2.278 1.00 10.00 O ATOM 0 H GLU A 79 -9.633 10.035 0.320 1.00 10.00 H new ATOM 0 HA GLU A 79 -10.062 12.048 2.454 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -11.983 10.787 0.471 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -12.496 11.696 1.878 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -10.590 12.930 -0.111 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -12.308 12.881 -0.451 1.00 10.00 H new ATOM 1040 N ASP A 80 -11.608 10.199 3.729 1.00 10.00 N ATOM 1041 CA ASP A 80 -11.944 9.142 4.669 1.00 10.00 C ATOM 1042 C ASP A 80 -12.727 8.048 3.967 1.00 10.00 C ATOM 1043 O ASP A 80 -13.567 8.335 3.108 1.00 10.00 O ATOM 1044 CB ASP A 80 -12.760 9.682 5.843 1.00 10.00 C ATOM 1045 CG ASP A 80 -11.899 10.324 6.908 1.00 10.00 C ATOM 1046 OD1 ASP A 80 -11.775 11.570 6.905 1.00 10.00 O ATOM 1047 OD2 ASP A 80 -11.357 9.589 7.764 1.00 10.00 O ATOM 0 H ASP A 80 -12.146 11.058 3.844 1.00 10.00 H new ATOM 0 HA ASP A 80 -11.011 8.733 5.057 1.00 10.00 H new ATOM 0 HB2 ASP A 80 -13.479 10.413 5.474 1.00 10.00 H new ATOM 0 HB3 ASP A 80 -13.333 8.868 6.287 1.00 10.00 H new ATOM 1052 N GLU A 81 -12.431 6.804 4.329 1.00 10.00 N ATOM 1053 CA GLU A 81 -13.089 5.628 3.765 1.00 10.00 C ATOM 1054 C GLU A 81 -12.603 5.341 2.346 1.00 10.00 C ATOM 1055 O GLU A 81 -13.253 4.604 1.596 1.00 10.00 O ATOM 1056 CB GLU A 81 -14.614 5.779 3.789 1.00 10.00 C ATOM 1057 CG GLU A 81 -15.239 5.457 5.135 1.00 10.00 C ATOM 1058 CD GLU A 81 -15.113 3.994 5.495 1.00 10.00 C ATOM 1059 OE1 GLU A 81 -15.740 3.153 4.814 1.00 10.00 O ATOM 1060 OE2 GLU A 81 -14.391 3.672 6.454 1.00 10.00 O ATOM 0 H GLU A 81 -11.722 6.581 5.028 1.00 10.00 H new ATOM 0 HA GLU A 81 -12.820 4.778 4.392 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -14.873 6.801 3.513 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -15.047 5.125 3.032 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -14.762 6.061 5.907 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -16.293 5.735 5.119 1.00 10.00 H new ATOM 1067 N ASP A 82 -11.461 5.919 1.981 1.00 10.00 N ATOM 1068 CA ASP A 82 -10.879 5.694 0.661 1.00 10.00 C ATOM 1069 C ASP A 82 -10.337 4.274 0.599 1.00 10.00 C ATOM 1070 O ASP A 82 -9.827 3.762 1.595 1.00 10.00 O ATOM 1071 CB ASP A 82 -9.767 6.705 0.367 1.00 10.00 C ATOM 1072 CG ASP A 82 -10.095 7.598 -0.814 1.00 10.00 C ATOM 1073 OD1 ASP A 82 -10.725 7.112 -1.777 1.00 10.00 O ATOM 1074 OD2 ASP A 82 -9.726 8.792 -0.783 1.00 10.00 O ATOM 0 H ASP A 82 -10.922 6.545 2.579 1.00 10.00 H new ATOM 0 HA ASP A 82 -11.651 5.829 -0.097 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -9.598 7.322 1.250 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -8.838 6.171 0.168 1.00 10.00 H new ATOM 1079 N THR A 83 -10.441 3.633 -0.553 1.00 10.00 N ATOM 1080 CA THR A 83 -9.993 2.254 -0.677 1.00 10.00 C ATOM 1081 C THR A 83 -8.795 2.087 -1.612 1.00 10.00 C ATOM 1082 O THR A 83 -8.749 2.655 -2.703 1.00 10.00 O ATOM 1083 CB THR A 83 -11.147 1.361 -1.160 1.00 10.00 C ATOM 1084 OG1 THR A 83 -12.375 1.798 -0.555 1.00 10.00 O ATOM 1085 CG2 THR A 83 -10.890 -0.101 -0.810 1.00 10.00 C ATOM 0 H THR A 83 -10.826 4.038 -1.406 1.00 10.00 H new ATOM 0 HA THR A 83 -9.668 1.949 0.318 1.00 10.00 H new ATOM 0 HB THR A 83 -11.220 1.444 -2.244 1.00 10.00 H new ATOM 0 HG1 THR A 83 -13.112 1.230 -0.864 1.00 10.00 H new ATOM 0 HG21 THR A 83 -11.721 -0.711 -1.163 1.00 10.00 H new ATOM 0 HG22 THR A 83 -9.968 -0.433 -1.288 1.00 10.00 H new ATOM 0 HG23 THR A 83 -10.797 -0.205 0.271 1.00 10.00 H new ATOM 1093 N ILE A 84 -7.827 1.306 -1.152 1.00 10.00 N ATOM 1094 CA ILE A 84 -6.629 1.005 -1.918 1.00 10.00 C ATOM 1095 C ILE A 84 -6.624 -0.483 -2.266 1.00 10.00 C ATOM 1096 O ILE A 84 -6.956 -1.317 -1.418 1.00 10.00 O ATOM 1097 CB ILE A 84 -5.353 1.354 -1.121 1.00 10.00 C ATOM 1098 CG1 ILE A 84 -5.405 2.808 -0.636 1.00 10.00 C ATOM 1099 CG2 ILE A 84 -4.111 1.121 -1.969 1.00 10.00 C ATOM 1100 CD1 ILE A 84 -4.387 3.133 0.438 1.00 10.00 C ATOM 0 H ILE A 84 -7.852 0.863 -0.234 1.00 10.00 H new ATOM 0 HA ILE A 84 -6.635 1.607 -2.826 1.00 10.00 H new ATOM 0 HB ILE A 84 -5.302 0.700 -0.251 1.00 10.00 H new ATOM 0 HG12 ILE A 84 -5.245 3.471 -1.487 1.00 10.00 H new ATOM 0 HG13 ILE A 84 -6.403 3.017 -0.252 1.00 10.00 H new ATOM 0 HG21 ILE A 84 -3.223 1.373 -1.390 1.00 10.00 H new ATOM 0 HG22 ILE A 84 -4.065 0.074 -2.267 1.00 10.00 H new ATOM 0 HG23 ILE A 84 -4.154 1.750 -2.858 1.00 10.00 H new ATOM 0 HD11 ILE A 84 -4.486 4.179 0.729 1.00 10.00 H new ATOM 0 HD12 ILE A 84 -4.559 2.497 1.306 1.00 10.00 H new ATOM 0 HD13 ILE A 84 -3.383 2.957 0.052 1.00 10.00 H new ATOM 1112 N ASP A 85 -6.262 -0.816 -3.499 1.00 10.00 N ATOM 1113 CA ASP A 85 -6.245 -2.208 -3.936 1.00 10.00 C ATOM 1114 C ASP A 85 -4.828 -2.767 -3.958 1.00 10.00 C ATOM 1115 O ASP A 85 -3.860 -2.032 -4.181 1.00 10.00 O ATOM 1116 CB ASP A 85 -6.876 -2.338 -5.321 1.00 10.00 C ATOM 1117 CG ASP A 85 -7.957 -3.399 -5.361 1.00 10.00 C ATOM 1118 OD1 ASP A 85 -7.631 -4.595 -5.217 1.00 10.00 O ATOM 1119 OD2 ASP A 85 -9.143 -3.035 -5.528 1.00 10.00 O ATOM 0 H ASP A 85 -5.977 -0.145 -4.212 1.00 10.00 H new ATOM 0 HA ASP A 85 -6.828 -2.787 -3.219 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -7.300 -1.378 -5.616 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -6.103 -2.582 -6.049 1.00 10.00 H new ATOM 1124 N VAL A 86 -4.718 -4.071 -3.733 1.00 10.00 N ATOM 1125 CA VAL A 86 -3.425 -4.750 -3.713 1.00 10.00 C ATOM 1126 C VAL A 86 -3.407 -5.923 -4.688 1.00 10.00 C ATOM 1127 O VAL A 86 -4.150 -6.893 -4.524 1.00 10.00 O ATOM 1128 CB VAL A 86 -3.081 -5.283 -2.304 1.00 10.00 C ATOM 1129 CG1 VAL A 86 -1.641 -5.777 -2.248 1.00 10.00 C ATOM 1130 CG2 VAL A 86 -3.326 -4.220 -1.247 1.00 10.00 C ATOM 0 H VAL A 86 -5.514 -4.684 -3.560 1.00 10.00 H new ATOM 0 HA VAL A 86 -2.682 -4.009 -4.009 1.00 10.00 H new ATOM 0 HB VAL A 86 -3.738 -6.127 -2.094 1.00 10.00 H new ATOM 0 HG11 VAL A 86 -1.422 -6.147 -1.246 1.00 10.00 H new ATOM 0 HG12 VAL A 86 -1.504 -6.582 -2.970 1.00 10.00 H new ATOM 0 HG13 VAL A 86 -0.965 -4.956 -2.487 1.00 10.00 H new ATOM 0 HG21 VAL A 86 -3.076 -4.620 -0.264 1.00 10.00 H new ATOM 0 HG22 VAL A 86 -2.702 -3.350 -1.454 1.00 10.00 H new ATOM 0 HG23 VAL A 86 -4.375 -3.926 -1.263 1.00 10.00 H new ATOM 1140 N PHE A 87 -2.549 -5.830 -5.691 1.00 10.00 N ATOM 1141 CA PHE A 87 -2.417 -6.880 -6.694 1.00 10.00 C ATOM 1142 C PHE A 87 -1.064 -7.569 -6.559 1.00 10.00 C ATOM 1143 O PHE A 87 -0.171 -7.069 -5.875 1.00 10.00 O ATOM 1144 CB PHE A 87 -2.573 -6.303 -8.104 1.00 10.00 C ATOM 1145 CG PHE A 87 -3.896 -5.625 -8.339 1.00 10.00 C ATOM 1146 CD1 PHE A 87 -5.012 -6.362 -8.701 1.00 10.00 C ATOM 1147 CD2 PHE A 87 -4.022 -4.252 -8.199 1.00 10.00 C ATOM 1148 CE1 PHE A 87 -6.228 -5.744 -8.918 1.00 10.00 C ATOM 1149 CE2 PHE A 87 -5.236 -3.629 -8.414 1.00 10.00 C ATOM 1150 CZ PHE A 87 -6.340 -4.376 -8.775 1.00 10.00 C ATOM 0 H PHE A 87 -1.929 -5.033 -5.834 1.00 10.00 H new ATOM 0 HA PHE A 87 -3.207 -7.613 -6.530 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -1.771 -5.587 -8.284 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -2.453 -7.106 -8.831 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -4.930 -7.433 -8.815 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -3.162 -3.663 -7.919 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -7.090 -6.331 -9.199 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -5.322 -2.558 -8.300 1.00 10.00 H new ATOM 0 HZ PHE A 87 -7.290 -3.890 -8.945 1.00 10.00 H new ATOM 1160 N GLN A 88 -0.916 -8.717 -7.203 1.00 10.00 N ATOM 1161 CA GLN A 88 0.334 -9.466 -7.153 1.00 10.00 C ATOM 1162 C GLN A 88 1.102 -9.310 -8.457 1.00 10.00 C ATOM 1163 O GLN A 88 0.504 -9.132 -9.520 1.00 10.00 O ATOM 1164 CB GLN A 88 0.065 -10.952 -6.907 1.00 10.00 C ATOM 1165 CG GLN A 88 -0.515 -11.265 -5.538 1.00 10.00 C ATOM 1166 CD GLN A 88 0.499 -11.118 -4.421 1.00 10.00 C ATOM 1167 OE1 GLN A 88 1.702 -11.279 -4.628 1.00 10.00 O ATOM 1168 NE2 GLN A 88 0.018 -10.831 -3.222 1.00 10.00 N ATOM 0 H GLN A 88 -1.646 -9.152 -7.767 1.00 10.00 H new ATOM 0 HA GLN A 88 0.928 -9.067 -6.331 1.00 10.00 H new ATOM 0 HB2 GLN A 88 -0.622 -11.316 -7.671 1.00 10.00 H new ATOM 0 HB3 GLN A 88 0.998 -11.503 -7.028 1.00 10.00 H new ATOM 0 HG2 GLN A 88 -1.358 -10.602 -5.346 1.00 10.00 H new ATOM 0 HG3 GLN A 88 -0.904 -12.283 -5.538 1.00 10.00 H new ATOM 0 HE21 GLN A 88 -0.986 -10.705 -3.092 1.00 10.00 H new ATOM 0 HE22 GLN A 88 0.651 -10.736 -2.428 1.00 10.00 H new ATOM 1177 N GLN A 89 2.424 -9.368 -8.369 1.00 10.00 N ATOM 1178 CA GLN A 89 3.274 -9.262 -9.546 1.00 10.00 C ATOM 1179 C GLN A 89 3.188 -10.556 -10.351 1.00 10.00 C ATOM 1180 O GLN A 89 3.127 -11.648 -9.779 1.00 10.00 O ATOM 1181 CB GLN A 89 4.728 -8.984 -9.130 1.00 10.00 C ATOM 1182 CG GLN A 89 5.764 -9.339 -10.191 1.00 10.00 C ATOM 1183 CD GLN A 89 5.795 -8.358 -11.348 1.00 10.00 C ATOM 1184 OE1 GLN A 89 5.618 -7.153 -11.166 1.00 10.00 O ATOM 1185 NE2 GLN A 89 6.010 -8.872 -12.548 1.00 10.00 N ATOM 0 H GLN A 89 2.931 -9.488 -7.492 1.00 10.00 H new ATOM 0 HA GLN A 89 2.932 -8.432 -10.165 1.00 10.00 H new ATOM 0 HB2 GLN A 89 4.827 -7.927 -8.882 1.00 10.00 H new ATOM 0 HB3 GLN A 89 4.948 -9.546 -8.222 1.00 10.00 H new ATOM 0 HG2 GLN A 89 6.750 -9.376 -9.728 1.00 10.00 H new ATOM 0 HG3 GLN A 89 5.554 -10.337 -10.575 1.00 10.00 H new ATOM 0 HE21 GLN A 89 6.152 -9.876 -12.655 1.00 10.00 H new ATOM 0 HE22 GLN A 89 6.034 -8.264 -13.367 1.00 10.00 H new ATOM 1194 N GLN A 90 3.158 -10.430 -11.671 1.00 10.00 N ATOM 1195 CA GLN A 90 3.093 -11.593 -12.540 1.00 10.00 C ATOM 1196 C GLN A 90 4.383 -12.387 -12.434 1.00 10.00 C ATOM 1197 O GLN A 90 5.470 -11.875 -12.714 1.00 10.00 O ATOM 1198 CB GLN A 90 2.849 -11.177 -13.990 1.00 10.00 C ATOM 1199 CG GLN A 90 1.577 -10.372 -14.184 1.00 10.00 C ATOM 1200 CD GLN A 90 1.824 -8.878 -14.165 1.00 10.00 C ATOM 1201 OE1 GLN A 90 2.789 -8.397 -13.568 1.00 10.00 O ATOM 1202 NE2 GLN A 90 0.954 -8.133 -14.817 1.00 10.00 N ATOM 0 H GLN A 90 3.178 -9.535 -12.161 1.00 10.00 H new ATOM 0 HA GLN A 90 2.259 -12.217 -12.221 1.00 10.00 H new ATOM 0 HB2 GLN A 90 3.698 -10.589 -14.339 1.00 10.00 H new ATOM 0 HB3 GLN A 90 2.803 -12.070 -14.613 1.00 10.00 H new ATOM 0 HG2 GLN A 90 1.118 -10.648 -15.133 1.00 10.00 H new ATOM 0 HG3 GLN A 90 0.866 -10.629 -13.399 1.00 10.00 H new ATOM 0 HE21 GLN A 90 0.168 -8.570 -15.299 1.00 10.00 H new ATOM 0 HE22 GLN A 90 1.066 -7.119 -14.840 1.00 10.00 H new ATOM 1211 N THR A 91 4.253 -13.631 -12.010 1.00 10.00 N ATOM 1212 CA THR A 91 5.392 -14.515 -11.847 1.00 10.00 C ATOM 1213 C THR A 91 5.782 -15.159 -13.173 1.00 10.00 C ATOM 1214 O THR A 91 6.820 -15.810 -13.283 1.00 10.00 O ATOM 1215 CB THR A 91 5.063 -15.599 -10.809 1.00 10.00 C ATOM 1216 OG1 THR A 91 3.643 -15.624 -10.579 1.00 10.00 O ATOM 1217 CG2 THR A 91 5.784 -15.328 -9.498 1.00 10.00 C ATOM 0 H THR A 91 3.357 -14.056 -11.770 1.00 10.00 H new ATOM 0 HA THR A 91 6.239 -13.924 -11.498 1.00 10.00 H new ATOM 0 HB THR A 91 5.395 -16.563 -11.194 1.00 10.00 H new ATOM 0 HG1 THR A 91 3.431 -16.316 -9.918 1.00 10.00 H new ATOM 0 HG21 THR A 91 5.536 -16.108 -8.778 1.00 10.00 H new ATOM 0 HG22 THR A 91 6.860 -15.321 -9.669 1.00 10.00 H new ATOM 0 HG23 THR A 91 5.473 -14.360 -9.105 1.00 10.00 H new ATOM 1225 N GLY A 92 4.938 -14.969 -14.174 1.00 10.00 N ATOM 1226 CA GLY A 92 5.188 -15.520 -15.484 1.00 10.00 C ATOM 1227 C GLY A 92 3.941 -15.492 -16.334 1.00 10.00 C ATOM 1228 O GLY A 92 2.950 -14.866 -15.904 1.00 10.00 O ATOM 0 H GLY A 92 4.073 -14.435 -14.098 1.00 10.00 H new ATOM 0 HA2 GLY A 92 5.979 -14.953 -15.975 1.00 10.00 H new ATOM 0 HA3 GLY A 92 5.543 -16.546 -15.388 1.00 10.00 H new TER 1232 GLY A 92 ATOM 1233 N ASN B 357 -16.119 -9.827 6.352 1.00 10.00 N ATOM 1234 CA ASN B 357 -14.741 -9.332 6.137 1.00 10.00 C ATOM 1235 C ASN B 357 -14.100 -9.019 7.472 1.00 10.00 C ATOM 1236 O ASN B 357 -14.774 -9.014 8.499 1.00 10.00 O ATOM 1237 CB ASN B 357 -14.755 -8.072 5.260 1.00 10.00 C ATOM 1238 CG ASN B 357 -15.068 -6.801 6.036 1.00 10.00 C ATOM 1239 OD1 ASN B 357 -14.054 -5.973 6.264 1.00 10.00 O flip ATOM 1240 ND2 ASN B 357 -16.211 -6.557 6.415 1.00 10.00 N flip ATOM 0 HA ASN B 357 -14.165 -10.105 5.628 1.00 10.00 H new ATOM 0 HB2 ASN B 357 -13.784 -7.964 4.776 1.00 10.00 H new ATOM 0 HB3 ASN B 357 -15.494 -8.197 4.468 1.00 10.00 H new ATOM 0 HD21 ASN B 357 -16.964 -7.217 6.221 1.00 10.00 H new ATOM 0 HD22 ASN B 357 -16.407 -5.695 6.923 1.00 10.00 H new ATOM 1247 N ASN B 358 -12.802 -8.768 7.467 1.00 10.00 N ATOM 1248 CA ASN B 358 -12.105 -8.428 8.695 1.00 10.00 C ATOM 1249 C ASN B 358 -11.492 -7.048 8.587 1.00 10.00 C ATOM 1250 O ASN B 358 -10.814 -6.743 7.607 1.00 10.00 O ATOM 1251 CB ASN B 358 -11.035 -9.478 9.032 1.00 10.00 C ATOM 1252 CG ASN B 358 -9.903 -9.536 8.019 1.00 10.00 C ATOM 1253 OD1 ASN B 358 -10.063 -10.057 6.915 1.00 10.00 O ATOM 1254 ND2 ASN B 358 -8.745 -9.011 8.389 1.00 10.00 N ATOM 0 H ASN B 358 -12.214 -8.793 6.634 1.00 10.00 H new ATOM 0 HA ASN B 358 -12.830 -8.421 9.509 1.00 10.00 H new ATOM 0 HB2 ASN B 358 -10.621 -9.260 10.016 1.00 10.00 H new ATOM 0 HB3 ASN B 358 -11.507 -10.459 9.095 1.00 10.00 H new ATOM 0 HD21 ASN B 358 -7.949 -9.030 7.751 1.00 10.00 H new ATOM 0 HD22 ASN B 358 -8.649 -8.587 9.312 1.00 10.00 H new ATOM 1261 N ARG B 359 -11.771 -6.199 9.571 1.00 10.00 N ATOM 1262 CA ARG B 359 -11.219 -4.858 9.578 1.00 10.00 C ATOM 1263 C ARG B 359 -10.424 -4.609 10.855 1.00 10.00 C ATOM 1264 O ARG B 359 -10.917 -4.802 11.970 1.00 10.00 O ATOM 1265 CB ARG B 359 -12.322 -3.805 9.405 1.00 10.00 C ATOM 1266 CG ARG B 359 -13.436 -3.876 10.441 1.00 10.00 C ATOM 1267 CD ARG B 359 -14.517 -2.838 10.164 1.00 10.00 C ATOM 1268 NE ARG B 359 -13.990 -1.471 10.144 1.00 10.00 N ATOM 1269 CZ ARG B 359 -14.524 -0.452 10.822 1.00 10.00 C ATOM 1270 NH1 ARG B 359 -15.567 -0.645 11.616 1.00 10.00 N ATOM 1271 NH2 ARG B 359 -14.012 0.761 10.705 1.00 10.00 N ATOM 0 H ARG B 359 -12.372 -6.418 10.366 1.00 10.00 H new ATOM 0 HA ARG B 359 -10.539 -4.769 8.731 1.00 10.00 H new ATOM 0 HB2 ARG B 359 -11.869 -2.814 9.445 1.00 10.00 H new ATOM 0 HB3 ARG B 359 -12.759 -3.916 8.413 1.00 10.00 H new ATOM 0 HG2 ARG B 359 -13.877 -4.873 10.437 1.00 10.00 H new ATOM 0 HG3 ARG B 359 -13.021 -3.715 11.436 1.00 10.00 H new ATOM 0 HD2 ARG B 359 -14.989 -3.056 9.206 1.00 10.00 H new ATOM 0 HD3 ARG B 359 -15.293 -2.914 10.926 1.00 10.00 H new ATOM 0 HE ARG B 359 -13.163 -1.286 9.576 1.00 10.00 H new ATOM 0 HH11 ARG B 359 -15.968 -1.578 11.713 1.00 10.00 H new ATOM 0 HH12 ARG B 359 -15.969 0.139 12.130 1.00 10.00 H new ATOM 0 HH21 ARG B 359 -13.209 0.919 10.097 1.00 10.00 H new ATOM 0 HH22 ARG B 359 -14.420 1.539 11.223 1.00 10.00 H new ATOM 1285 N ASP B 360 -9.184 -4.207 10.667 1.00 10.00 N ATOM 1286 CA ASP B 360 -8.261 -3.903 11.752 1.00 10.00 C ATOM 1287 C ASP B 360 -7.712 -2.494 11.549 1.00 10.00 C ATOM 1288 O ASP B 360 -7.446 -2.113 10.411 1.00 10.00 O ATOM 1289 CB ASP B 360 -7.146 -4.959 11.831 1.00 10.00 C ATOM 1290 CG ASP B 360 -5.753 -4.380 11.709 1.00 10.00 C ATOM 1291 OD1 ASP B 360 -5.333 -4.112 10.575 1.00 10.00 O ATOM 1292 OD2 ASP B 360 -5.063 -4.227 12.743 1.00 10.00 O ATOM 0 H ASP B 360 -8.778 -4.079 9.740 1.00 10.00 H new ATOM 0 HA ASP B 360 -8.783 -3.935 12.708 1.00 10.00 H new ATOM 0 HB2 ASP B 360 -7.227 -5.491 12.779 1.00 10.00 H new ATOM 0 HB3 ASP B 360 -7.296 -5.693 11.039 1.00 10.00 H new ATOM 1297 N PRO B 361 -7.566 -1.669 12.596 1.00 10.00 N ATOM 1298 CA PRO B 361 -7.072 -0.314 12.437 1.00 10.00 C ATOM 1299 C PRO B 361 -5.639 -0.148 12.930 1.00 10.00 C ATOM 1300 O PRO B 361 -5.282 -0.516 14.051 1.00 10.00 O ATOM 1301 CB PRO B 361 -8.042 0.448 13.343 1.00 10.00 C ATOM 1302 CG PRO B 361 -8.407 -0.524 14.434 1.00 10.00 C ATOM 1303 CD PRO B 361 -7.985 -1.908 13.977 1.00 10.00 C ATOM 0 HA PRO B 361 -7.037 0.017 11.399 1.00 10.00 H new ATOM 0 HB2 PRO B 361 -7.577 1.344 13.753 1.00 10.00 H new ATOM 0 HB3 PRO B 361 -8.925 0.771 12.792 1.00 10.00 H new ATOM 0 HG2 PRO B 361 -7.907 -0.259 15.365 1.00 10.00 H new ATOM 0 HG3 PRO B 361 -9.479 -0.496 14.629 1.00 10.00 H new ATOM 0 HD2 PRO B 361 -7.173 -2.306 14.585 1.00 10.00 H new ATOM 0 HD3 PRO B 361 -8.806 -2.623 14.034 1.00 10.00 H new ATOM 1311 N ILE B 362 -4.817 0.409 12.053 1.00 10.00 N ATOM 1312 CA ILE B 362 -3.405 0.621 12.320 1.00 10.00 C ATOM 1313 C ILE B 362 -3.064 2.095 12.284 1.00 10.00 C ATOM 1314 O ILE B 362 -3.461 2.801 11.366 1.00 10.00 O ATOM 1315 CB ILE B 362 -2.510 -0.089 11.271 1.00 10.00 C ATOM 1316 CG1 ILE B 362 -3.036 -1.487 10.942 1.00 10.00 C ATOM 1317 CG2 ILE B 362 -1.063 -0.169 11.739 1.00 10.00 C ATOM 1318 CD1 ILE B 362 -3.857 -1.519 9.674 1.00 10.00 C ATOM 0 H ILE B 362 -5.114 0.728 11.131 1.00 10.00 H new ATOM 0 HA ILE B 362 -3.215 0.206 13.310 1.00 10.00 H new ATOM 0 HB ILE B 362 -2.545 0.512 10.363 1.00 10.00 H new ATOM 0 HG12 ILE B 362 -2.195 -2.173 10.842 1.00 10.00 H new ATOM 0 HG13 ILE B 362 -3.644 -1.847 11.772 1.00 10.00 H new ATOM 0 HG21 ILE B 362 -0.463 -0.672 10.981 1.00 10.00 H new ATOM 0 HG22 ILE B 362 -0.676 0.837 11.899 1.00 10.00 H new ATOM 0 HG23 ILE B 362 -1.013 -0.730 12.672 1.00 10.00 H new ATOM 0 HD11 ILE B 362 -4.204 -2.536 9.491 1.00 10.00 H new ATOM 0 HD12 ILE B 362 -4.716 -0.856 9.780 1.00 10.00 H new ATOM 0 HD13 ILE B 362 -3.244 -1.188 8.835 1.00 10.00 H new ATOM 1330 N VAL B 363 -2.360 2.568 13.292 1.00 10.00 N ATOM 1331 CA VAL B 363 -1.950 3.953 13.313 1.00 10.00 C ATOM 1332 C VAL B 363 -0.436 4.015 13.302 1.00 10.00 C ATOM 1333 O VAL B 363 0.217 3.436 14.166 1.00 10.00 O ATOM 1334 CB VAL B 363 -2.443 4.688 14.577 1.00 10.00 C ATOM 1335 CG1 VAL B 363 -2.146 6.175 14.477 1.00 10.00 C ATOM 1336 CG2 VAL B 363 -3.923 4.437 14.851 1.00 10.00 C ATOM 0 H VAL B 363 -2.063 2.019 14.099 1.00 10.00 H new ATOM 0 HA VAL B 363 -2.384 4.437 12.438 1.00 10.00 H new ATOM 0 HB VAL B 363 -1.895 4.281 15.427 1.00 10.00 H new ATOM 0 HG11 VAL B 363 -2.500 6.678 15.377 1.00 10.00 H new ATOM 0 HG12 VAL B 363 -1.071 6.325 14.377 1.00 10.00 H new ATOM 0 HG13 VAL B 363 -2.653 6.590 13.606 1.00 10.00 H new ATOM 0 HG21 VAL B 363 -4.223 4.975 15.750 1.00 10.00 H new ATOM 0 HG22 VAL B 363 -4.514 4.787 14.005 1.00 10.00 H new ATOM 0 HG23 VAL B 363 -4.091 3.370 14.994 1.00 10.00 H new ATOM 1346 N ILE B 364 0.106 4.712 12.323 1.00 10.00 N ATOM 1347 CA ILE B 364 1.541 4.887 12.209 1.00 10.00 C ATOM 1348 C ILE B 364 1.878 6.370 12.174 1.00 10.00 C ATOM 1349 O ILE B 364 1.217 7.164 11.501 1.00 10.00 O ATOM 1350 CB ILE B 364 2.162 4.137 10.999 1.00 10.00 C ATOM 1351 CG1 ILE B 364 3.642 3.844 11.270 1.00 10.00 C ATOM 1352 CG2 ILE B 364 2.011 4.924 9.709 1.00 10.00 C ATOM 1353 CD1 ILE B 364 4.246 2.826 10.327 1.00 10.00 C ATOM 0 H ILE B 364 -0.432 5.171 11.588 1.00 10.00 H new ATOM 0 HA ILE B 364 1.991 4.434 13.092 1.00 10.00 H new ATOM 0 HB ILE B 364 1.622 3.198 10.876 1.00 10.00 H new ATOM 0 HG12 ILE B 364 4.206 4.774 11.196 1.00 10.00 H new ATOM 0 HG13 ILE B 364 3.750 3.486 12.294 1.00 10.00 H new ATOM 0 HG21 ILE B 364 2.458 4.365 8.887 1.00 10.00 H new ATOM 0 HG22 ILE B 364 0.953 5.087 9.504 1.00 10.00 H new ATOM 0 HG23 ILE B 364 2.513 5.886 9.809 1.00 10.00 H new ATOM 0 HD11 ILE B 364 5.295 2.672 10.581 1.00 10.00 H new ATOM 0 HD12 ILE B 364 3.708 1.882 10.417 1.00 10.00 H new ATOM 0 HD13 ILE B 364 4.171 3.190 9.302 1.00 10.00 H new ATOM 1365 N SER B 365 2.851 6.755 12.965 1.00 10.00 N ATOM 1366 CA SER B 365 3.278 8.133 13.018 1.00 10.00 C ATOM 1367 C SER B 365 4.729 8.244 12.579 1.00 10.00 C ATOM 1368 O SER B 365 5.582 7.480 13.030 1.00 10.00 O ATOM 1369 CB SER B 365 3.090 8.687 14.428 1.00 10.00 C ATOM 1370 OG SER B 365 1.713 8.742 14.757 1.00 10.00 O ATOM 0 H SER B 365 3.365 6.129 13.585 1.00 10.00 H new ATOM 0 HA SER B 365 2.667 8.724 12.336 1.00 10.00 H new ATOM 0 HB2 SER B 365 3.617 8.059 15.146 1.00 10.00 H new ATOM 0 HB3 SER B 365 3.527 9.683 14.495 1.00 10.00 H new ATOM 0 HG SER B 365 1.607 9.097 15.664 1.00 10.00 H new ATOM 1376 N ASP B 366 5.004 9.198 11.711 1.00 10.00 N ATOM 1377 CA ASP B 366 6.354 9.407 11.204 1.00 10.00 C ATOM 1378 C ASP B 366 6.837 10.768 11.672 1.00 10.00 C ATOM 1379 O ASP B 366 6.109 11.755 11.569 1.00 10.00 O ATOM 1380 CB ASP B 366 6.362 9.335 9.672 1.00 10.00 C ATOM 1381 CG ASP B 366 7.747 9.103 9.098 1.00 10.00 C ATOM 1382 OD1 ASP B 366 7.893 9.146 7.859 1.00 10.00 O ATOM 1383 OD2 ASP B 366 8.691 8.843 9.872 1.00 10.00 O ATOM 0 H ASP B 366 4.310 9.846 11.338 1.00 10.00 H new ATOM 0 HA ASP B 366 7.018 8.629 11.581 1.00 10.00 H new ATOM 0 HB2 ASP B 366 5.701 8.531 9.348 1.00 10.00 H new ATOM 0 HB3 ASP B 366 5.958 10.263 9.268 1.00 10.00 H new ATOM 1388 N SER B 367 8.036 10.796 12.229 1.00 10.00 N ATOM 1389 CA SER B 367 8.607 12.012 12.779 1.00 10.00 C ATOM 1390 C SER B 367 9.516 12.731 11.780 1.00 10.00 C ATOM 1391 O SER B 367 10.663 12.316 11.569 1.00 10.00 O ATOM 1392 CB SER B 367 9.410 11.650 14.028 1.00 10.00 C ATOM 1393 OG SER B 367 8.805 10.559 14.719 1.00 10.00 O ATOM 0 H SER B 367 8.639 9.978 12.312 1.00 10.00 H new ATOM 0 HA SER B 367 7.790 12.692 13.020 1.00 10.00 H new ATOM 0 HB2 SER B 367 10.430 11.388 13.747 1.00 10.00 H new ATOM 0 HB3 SER B 367 9.474 12.515 14.689 1.00 10.00 H new ATOM 0 HG SER B 367 9.335 10.341 15.514 1.00 10.00 H new ATOM 1399 N PRO B 368 9.027 13.817 11.159 1.00 10.00 N ATOM 1400 CA PRO B 368 9.808 14.607 10.215 1.00 10.00 C ATOM 1401 C PRO B 368 10.743 15.565 10.948 1.00 10.00 C ATOM 1402 O PRO B 368 10.373 16.024 12.055 1.00 10.00 O ATOM 1403 CB PRO B 368 8.753 15.397 9.416 1.00 10.00 C ATOM 1404 CG PRO B 368 7.419 15.053 10.008 1.00 10.00 C ATOM 1405 CD PRO B 368 7.676 14.367 11.320 1.00 10.00 C ATOM 0 HA PRO B 368 10.440 13.985 9.581 1.00 10.00 H new ATOM 0 HB2 PRO B 368 8.941 16.469 9.481 1.00 10.00 H new ATOM 0 HB3 PRO B 368 8.788 15.131 8.360 1.00 10.00 H new ATOM 0 HG2 PRO B 368 6.821 15.952 10.155 1.00 10.00 H new ATOM 0 HG3 PRO B 368 6.857 14.402 9.338 1.00 10.00 H new ATOM 0 HD2 PRO B 368 7.624 15.065 12.155 1.00 10.00 H new ATOM 0 HD3 PRO B 368 6.944 13.583 11.514 1.00 10.00 H new TER 1413 PRO B 368