USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 918 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 94 THR OG1 : rot -48:sc= 0.876 USER MOD Set 1.2: A 97 THR OG1 : rot 180:sc= 1.11 USER MOD Set 2.1: A 88 HIS : no HD1:sc= -1.27 X(o=-3.9,f=-4.3!) USER MOD Set 2.2: A 91 GLN : amide:sc= -2.64 X(o=-3.9,f=-4.3!) USER MOD Set 3.1: A 26 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 51 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 27 CYS SG : rot 170:sc= -0.452 USER MOD Set 4.2: A 28 SER OG : rot 180:sc= 0.00818 USER MOD Set 5.1: A 2 TYR OH : rot -2:sc= 0.102 USER MOD Set 5.2: A 69 HIS : no HE2:sc= -0.446 K(o=-0.34,f=-3.8!) USER MOD Single : A 1 MET CE :methyl 168:sc= 0 (180deg=-0.165) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0 (180deg=-0.0112) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -0.103 K(o=-0.1,f=-2.8!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0757 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.11) USER MOD Single : A 19 SER OG : rot 54:sc= 0.484 USER MOD Single : A 22 ASN : amide:sc= 0.0441 X(o=0.044,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0.62 K(o=0.62,f=-8.9!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 0.737 K(o=0.74,f=-2.6!) USER MOD Single : A 38 GLN : amide:sc= -0.0288 X(o=-0.029,f=-0.035) USER MOD Single : A 39 MET CE :methyl -105:sc= -2.44 (180deg=-4.27!) USER MOD Single : A 40 THR OG1 : rot 19:sc= 0.322 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot -46:sc= 0.392 USER MOD Single : A 59 ASN : amide:sc= 1.19 K(o=1.2,f=-0.044) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0.063 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -175:sc= -0.105 (180deg=-0.131) USER MOD Single : A 82 HIS : no HD1:sc= -0.0411 X(o=-0.041,f=0) USER MOD Single : A 83 LYS NZ :NH3+ -165:sc= 2.41 (180deg=1.85) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.211 F(o=-2.4!,f=-0.21) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= 0.835 K(o=0.83,f=-0.29) USER MOD Single : A 102 THR OG1 : rot -80:sc= 0.726 USER MOD Single : A 104 CYS SG : rot -130:sc= -0.194 USER MOD Single : A 107 CYS SG : rot 180:sc= -0.0311 USER MOD Single : A 110 SER OG : rot -130:sc= 0.624 USER MOD Single : A 111 THR OG1 : rot -23:sc= 0.418 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.979 -23.120 -3.468 1.00 0.00 N ATOM 2 CA MET A 1 -14.383 -23.544 -2.118 1.00 0.00 C ATOM 3 C MET A 1 -14.697 -22.337 -1.243 1.00 0.00 C ATOM 4 O MET A 1 -15.637 -22.401 -0.451 1.00 0.00 O ATOM 5 CB MET A 1 -13.351 -24.461 -1.445 1.00 0.00 C ATOM 6 CG MET A 1 -13.511 -25.907 -1.921 1.00 0.00 C ATOM 7 SD MET A 1 -12.454 -27.117 -1.077 1.00 0.00 S ATOM 8 CE MET A 1 -13.159 -27.095 0.598 1.00 0.00 C ATOM 0 H1 MET A 1 -13.835 -23.958 -4.067 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.723 -22.523 -3.881 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.092 -22.579 -3.411 1.00 0.00 H new ATOM 0 HA MET A 1 -15.290 -24.136 -2.235 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.344 -24.109 -1.671 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.469 -24.415 -0.362 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.552 -26.203 -1.790 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.300 -25.947 -2.990 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.761 -27.932 1.171 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.895 -26.160 1.091 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.244 -27.180 0.537 1.00 0.00 H new ATOM 18 N TYR A 2 -13.938 -21.244 -1.354 1.00 0.00 N ATOM 19 CA TYR A 2 -14.192 -19.991 -0.661 1.00 0.00 C ATOM 20 C TYR A 2 -15.570 -19.452 -1.033 1.00 0.00 C ATOM 21 O TYR A 2 -15.832 -19.191 -2.209 1.00 0.00 O ATOM 22 CB TYR A 2 -13.071 -19.022 -1.044 1.00 0.00 C ATOM 23 CG TYR A 2 -13.162 -17.603 -0.516 1.00 0.00 C ATOM 24 CD1 TYR A 2 -13.306 -17.344 0.862 1.00 0.00 C ATOM 25 CD2 TYR A 2 -12.974 -16.528 -1.406 1.00 0.00 C ATOM 26 CE1 TYR A 2 -13.223 -16.023 1.340 1.00 0.00 C ATOM 27 CE2 TYR A 2 -12.916 -15.208 -0.932 1.00 0.00 C ATOM 28 CZ TYR A 2 -13.034 -14.948 0.449 1.00 0.00 C ATOM 29 OH TYR A 2 -12.948 -13.676 0.922 1.00 0.00 O ATOM 0 H TYR A 2 -13.108 -21.211 -1.946 1.00 0.00 H new ATOM 0 HA TYR A 2 -14.196 -20.130 0.420 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -12.127 -19.448 -0.703 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -13.025 -18.974 -2.132 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -13.480 -18.158 1.550 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -12.873 -16.721 -2.464 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -13.305 -15.831 2.400 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -12.781 -14.391 -1.625 1.00 0.00 H new ATOM 0 HH TYR A 2 -13.064 -13.680 1.895 1.00 0.00 H new ATOM 39 N THR A 3 -16.441 -19.310 -0.038 1.00 0.00 N ATOM 40 CA THR A 3 -17.720 -18.601 -0.131 1.00 0.00 C ATOM 41 C THR A 3 -17.795 -17.537 0.976 1.00 0.00 C ATOM 42 O THR A 3 -18.855 -16.973 1.225 1.00 0.00 O ATOM 43 CB THR A 3 -18.911 -19.588 -0.043 1.00 0.00 C ATOM 44 OG1 THR A 3 -18.571 -20.907 -0.454 1.00 0.00 O ATOM 45 CG2 THR A 3 -20.088 -19.145 -0.911 1.00 0.00 C ATOM 0 H THR A 3 -16.272 -19.698 0.890 1.00 0.00 H new ATOM 0 HA THR A 3 -17.784 -18.106 -1.100 1.00 0.00 H new ATOM 0 HB THR A 3 -19.185 -19.588 1.012 1.00 0.00 H new ATOM 0 HG1 THR A 3 -19.357 -21.487 -0.377 1.00 0.00 H new ATOM 0 HG21 THR A 3 -20.900 -19.866 -0.819 1.00 0.00 H new ATOM 0 HG22 THR A 3 -20.434 -18.165 -0.582 1.00 0.00 H new ATOM 0 HG23 THR A 3 -19.771 -19.087 -1.952 1.00 0.00 H new ATOM 53 N GLU A 4 -16.682 -17.312 1.678 1.00 0.00 N ATOM 54 CA GLU A 4 -16.641 -16.596 2.939 1.00 0.00 C ATOM 55 C GLU A 4 -16.416 -15.105 2.673 1.00 0.00 C ATOM 56 O GLU A 4 -15.988 -14.715 1.579 1.00 0.00 O ATOM 57 CB GLU A 4 -15.574 -17.279 3.812 1.00 0.00 C ATOM 58 CG GLU A 4 -15.374 -16.736 5.226 1.00 0.00 C ATOM 59 CD GLU A 4 -14.512 -17.710 6.037 1.00 0.00 C ATOM 60 OE1 GLU A 4 -13.265 -17.691 5.907 1.00 0.00 O ATOM 61 OE2 GLU A 4 -15.101 -18.540 6.773 1.00 0.00 O ATOM 0 H GLU A 4 -15.764 -17.634 1.370 1.00 0.00 H new ATOM 0 HA GLU A 4 -17.581 -16.638 3.489 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -15.827 -18.336 3.889 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.620 -17.217 3.289 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.895 -15.758 5.186 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -16.339 -16.598 5.713 1.00 0.00 H new ATOM 68 N GLN A 5 -16.686 -14.259 3.669 1.00 0.00 N ATOM 69 CA GLN A 5 -16.460 -12.821 3.557 1.00 0.00 C ATOM 70 C GLN A 5 -14.964 -12.546 3.321 1.00 0.00 C ATOM 71 O GLN A 5 -14.115 -13.312 3.790 1.00 0.00 O ATOM 72 CB GLN A 5 -16.908 -12.108 4.846 1.00 0.00 C ATOM 73 CG GLN A 5 -18.382 -12.297 5.239 1.00 0.00 C ATOM 74 CD GLN A 5 -19.368 -11.529 4.361 1.00 0.00 C ATOM 75 OE1 GLN A 5 -19.093 -11.169 3.218 1.00 0.00 O ATOM 76 NE2 GLN A 5 -20.568 -11.302 4.863 1.00 0.00 N ATOM 0 H GLN A 5 -17.065 -14.551 4.570 1.00 0.00 H new ATOM 0 HA GLN A 5 -17.041 -12.442 2.717 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -16.285 -12.460 5.668 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -16.716 -11.041 4.734 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -18.625 -13.359 5.195 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -18.513 -11.982 6.274 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -20.789 -11.603 5.812 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -21.274 -10.825 4.302 1.00 0.00 H new ATOM 85 N PRO A 6 -14.588 -11.459 2.637 1.00 0.00 N ATOM 86 CA PRO A 6 -13.249 -10.899 2.717 1.00 0.00 C ATOM 87 C PRO A 6 -13.103 -10.040 3.967 1.00 0.00 C ATOM 88 O PRO A 6 -14.096 -9.628 4.582 1.00 0.00 O ATOM 89 CB PRO A 6 -13.100 -10.085 1.432 1.00 0.00 C ATOM 90 CG PRO A 6 -14.514 -9.542 1.227 1.00 0.00 C ATOM 91 CD PRO A 6 -15.411 -10.679 1.736 1.00 0.00 C ATOM 0 HA PRO A 6 -12.471 -11.659 2.798 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -12.368 -9.284 1.540 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -12.776 -10.702 0.594 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -14.676 -8.621 1.788 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -14.709 -9.315 0.179 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -16.288 -10.285 2.250 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -15.774 -11.290 0.910 1.00 0.00 H new ATOM 99 N ILE A 7 -11.850 -9.773 4.326 1.00 0.00 N ATOM 100 CA ILE A 7 -11.457 -9.048 5.523 1.00 0.00 C ATOM 101 C ILE A 7 -11.874 -7.580 5.386 1.00 0.00 C ATOM 102 O ILE A 7 -11.098 -6.765 4.889 1.00 0.00 O ATOM 103 CB ILE A 7 -9.943 -9.247 5.788 1.00 0.00 C ATOM 104 CG1 ILE A 7 -9.597 -10.727 6.071 1.00 0.00 C ATOM 105 CG2 ILE A 7 -9.456 -8.397 6.973 1.00 0.00 C ATOM 106 CD1 ILE A 7 -8.118 -11.049 5.827 1.00 0.00 C ATOM 0 H ILE A 7 -11.051 -10.070 3.766 1.00 0.00 H new ATOM 0 HA ILE A 7 -11.971 -9.440 6.401 1.00 0.00 H new ATOM 0 HB ILE A 7 -9.436 -8.926 4.878 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.850 -10.963 7.105 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -10.212 -11.367 5.438 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.390 -8.564 7.127 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.631 -7.342 6.760 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.001 -8.681 7.873 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -7.935 -12.102 6.042 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -7.867 -10.842 4.787 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.499 -10.432 6.479 1.00 0.00 H new ATOM 118 N ASP A 8 -13.110 -7.267 5.798 1.00 0.00 N ATOM 119 CA ASP A 8 -13.781 -5.957 5.797 1.00 0.00 C ATOM 120 C ASP A 8 -13.504 -5.138 4.525 1.00 0.00 C ATOM 121 O ASP A 8 -13.459 -3.907 4.565 1.00 0.00 O ATOM 122 CB ASP A 8 -13.473 -5.197 7.110 1.00 0.00 C ATOM 123 CG ASP A 8 -14.676 -4.890 8.002 1.00 0.00 C ATOM 124 OD1 ASP A 8 -15.642 -4.241 7.533 1.00 0.00 O ATOM 125 OD2 ASP A 8 -14.594 -5.204 9.209 1.00 0.00 O ATOM 0 H ASP A 8 -13.723 -7.990 6.175 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.857 -6.129 5.769 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -12.758 -5.783 7.687 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -12.984 -4.257 6.856 1.00 0.00 H new ATOM 130 N LEU A 9 -13.249 -5.809 3.396 1.00 0.00 N ATOM 131 CA LEU A 9 -12.505 -5.213 2.313 1.00 0.00 C ATOM 132 C LEU A 9 -13.454 -4.523 1.353 1.00 0.00 C ATOM 133 O LEU A 9 -14.457 -5.082 0.899 1.00 0.00 O ATOM 134 CB LEU A 9 -11.635 -6.272 1.631 1.00 0.00 C ATOM 135 CG LEU A 9 -10.183 -5.787 1.494 1.00 0.00 C ATOM 136 CD1 LEU A 9 -9.371 -6.915 0.897 1.00 0.00 C ATOM 137 CD2 LEU A 9 -9.988 -4.609 0.544 1.00 0.00 C ATOM 0 H LEU A 9 -13.554 -6.767 3.221 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.831 -4.449 2.699 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.661 -7.196 2.209 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -12.040 -6.501 0.645 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.881 -5.475 2.494 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.334 -6.598 0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.418 -7.784 1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.775 -7.176 -0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.933 -4.338 0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.321 -4.889 -0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.571 -3.758 0.895 1.00 0.00 H new ATOM 149 N VAL A 10 -13.094 -3.293 1.039 1.00 0.00 N ATOM 150 CA VAL A 10 -13.913 -2.355 0.287 1.00 0.00 C ATOM 151 C VAL A 10 -12.981 -1.600 -0.654 1.00 0.00 C ATOM 152 O VAL A 10 -11.895 -1.181 -0.244 1.00 0.00 O ATOM 153 CB VAL A 10 -14.773 -1.445 1.193 1.00 0.00 C ATOM 154 CG1 VAL A 10 -16.121 -2.100 1.529 1.00 0.00 C ATOM 155 CG2 VAL A 10 -14.110 -1.073 2.519 1.00 0.00 C ATOM 0 H VAL A 10 -12.191 -2.903 1.309 1.00 0.00 H new ATOM 0 HA VAL A 10 -14.661 -2.887 -0.301 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.905 -0.537 0.605 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -16.700 -1.433 2.167 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -16.672 -2.291 0.608 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -15.948 -3.042 2.050 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -14.780 -0.434 3.094 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.898 -1.979 3.086 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.179 -0.541 2.324 1.00 0.00 H new ATOM 165 N PRO A 11 -13.330 -1.466 -1.942 1.00 0.00 N ATOM 166 CA PRO A 11 -12.544 -0.648 -2.836 1.00 0.00 C ATOM 167 C PRO A 11 -12.568 0.816 -2.371 1.00 0.00 C ATOM 168 O PRO A 11 -13.419 1.230 -1.580 1.00 0.00 O ATOM 169 CB PRO A 11 -13.134 -0.835 -4.230 1.00 0.00 C ATOM 170 CG PRO A 11 -14.289 -1.822 -4.083 1.00 0.00 C ATOM 171 CD PRO A 11 -14.555 -1.900 -2.584 1.00 0.00 C ATOM 0 HA PRO A 11 -11.494 -0.941 -2.845 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -13.485 0.115 -4.634 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -12.383 -1.217 -4.921 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -15.172 -1.479 -4.623 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -14.027 -2.799 -4.488 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -15.392 -1.261 -2.302 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.814 -2.916 -2.285 1.00 0.00 H new ATOM 179 N THR A 12 -11.656 1.615 -2.907 1.00 0.00 N ATOM 180 CA THR A 12 -11.709 3.068 -2.876 1.00 0.00 C ATOM 181 C THR A 12 -10.940 3.548 -4.116 1.00 0.00 C ATOM 182 O THR A 12 -10.620 2.733 -4.987 1.00 0.00 O ATOM 183 CB THR A 12 -11.212 3.603 -1.515 1.00 0.00 C ATOM 184 OG1 THR A 12 -11.271 5.011 -1.445 1.00 0.00 O ATOM 185 CG2 THR A 12 -9.782 3.185 -1.174 1.00 0.00 C ATOM 0 H THR A 12 -10.833 1.257 -3.391 1.00 0.00 H new ATOM 0 HA THR A 12 -12.721 3.469 -2.938 1.00 0.00 H new ATOM 0 HB THR A 12 -11.892 3.154 -0.792 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.950 5.309 -0.568 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.504 3.598 -0.205 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.720 2.097 -1.136 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.101 3.561 -1.938 1.00 0.00 H new ATOM 193 N GLN A 13 -10.681 4.847 -4.236 1.00 0.00 N ATOM 194 CA GLN A 13 -9.900 5.464 -5.304 1.00 0.00 C ATOM 195 C GLN A 13 -9.194 6.708 -4.754 1.00 0.00 C ATOM 196 O GLN A 13 -9.617 7.263 -3.736 1.00 0.00 O ATOM 197 CB GLN A 13 -10.806 5.887 -6.479 1.00 0.00 C ATOM 198 CG GLN A 13 -10.976 4.835 -7.577 1.00 0.00 C ATOM 199 CD GLN A 13 -12.307 5.013 -8.302 1.00 0.00 C ATOM 200 OE1 GLN A 13 -12.524 5.998 -9.003 1.00 0.00 O ATOM 201 NE2 GLN A 13 -13.225 4.074 -8.158 1.00 0.00 N ATOM 0 H GLN A 13 -11.026 5.529 -3.561 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.174 4.736 -5.665 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -11.790 6.142 -6.086 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.397 6.793 -6.925 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.156 4.913 -8.291 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.926 3.837 -7.141 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -13.035 3.260 -7.574 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -14.124 4.163 -8.631 1.00 0.00 H new ATOM 210 N PRO A 14 -8.153 7.175 -5.455 1.00 0.00 N ATOM 211 CA PRO A 14 -7.424 8.383 -5.125 1.00 0.00 C ATOM 212 C PRO A 14 -8.259 9.619 -5.446 1.00 0.00 C ATOM 213 O PRO A 14 -9.073 9.617 -6.376 1.00 0.00 O ATOM 214 CB PRO A 14 -6.160 8.308 -5.972 1.00 0.00 C ATOM 215 CG PRO A 14 -6.603 7.549 -7.222 1.00 0.00 C ATOM 216 CD PRO A 14 -7.661 6.587 -6.684 1.00 0.00 C ATOM 0 HA PRO A 14 -7.188 8.461 -4.064 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.785 9.301 -6.219 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.359 7.785 -5.450 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.014 8.220 -7.977 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.773 7.017 -7.686 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.469 6.455 -7.403 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.234 5.601 -6.500 1.00 0.00 H new ATOM 224 N LEU A 15 -8.023 10.676 -4.670 1.00 0.00 N ATOM 225 CA LEU A 15 -8.723 11.950 -4.742 1.00 0.00 C ATOM 226 C LEU A 15 -8.048 12.852 -5.792 1.00 0.00 C ATOM 227 O LEU A 15 -6.898 12.605 -6.173 1.00 0.00 O ATOM 228 CB LEU A 15 -8.800 12.509 -3.304 1.00 0.00 C ATOM 229 CG LEU A 15 -7.461 12.988 -2.721 1.00 0.00 C ATOM 230 CD1 LEU A 15 -7.335 14.491 -2.931 1.00 0.00 C ATOM 231 CD2 LEU A 15 -7.342 12.649 -1.234 1.00 0.00 C ATOM 0 H LEU A 15 -7.307 10.663 -3.944 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.751 11.865 -5.095 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.503 13.342 -3.291 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.208 11.737 -2.651 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.652 12.472 -3.238 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.387 14.838 -2.520 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.371 14.714 -3.997 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.157 14.999 -2.426 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.383 13.003 -0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.149 13.133 -0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.409 11.569 -1.100 1.00 0.00 H new ATOM 243 N PRO A 16 -8.754 13.876 -6.296 1.00 0.00 N ATOM 244 CA PRO A 16 -8.298 14.699 -7.404 1.00 0.00 C ATOM 245 C PRO A 16 -7.297 15.749 -6.923 1.00 0.00 C ATOM 246 O PRO A 16 -7.312 16.148 -5.758 1.00 0.00 O ATOM 247 CB PRO A 16 -9.566 15.335 -7.973 1.00 0.00 C ATOM 248 CG PRO A 16 -10.547 15.370 -6.800 1.00 0.00 C ATOM 249 CD PRO A 16 -10.050 14.317 -5.818 1.00 0.00 C ATOM 0 HA PRO A 16 -7.772 14.120 -8.163 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.369 16.337 -8.354 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.963 14.751 -8.803 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.570 16.357 -6.338 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.562 15.149 -7.131 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.971 14.732 -4.813 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.747 13.481 -5.763 1.00 0.00 H new ATOM 257 N ASN A 17 -6.417 16.221 -7.810 1.00 0.00 N ATOM 258 CA ASN A 17 -5.269 17.106 -7.524 1.00 0.00 C ATOM 259 C ASN A 17 -4.166 16.414 -6.729 1.00 0.00 C ATOM 260 O ASN A 17 -3.082 16.976 -6.616 1.00 0.00 O ATOM 261 CB ASN A 17 -5.614 18.382 -6.739 1.00 0.00 C ATOM 262 CG ASN A 17 -6.947 18.990 -7.082 1.00 0.00 C ATOM 263 OD1 ASN A 17 -7.246 19.316 -8.231 1.00 0.00 O ATOM 264 ND2 ASN A 17 -7.788 19.130 -6.082 1.00 0.00 N ATOM 0 H ASN A 17 -6.484 15.988 -8.801 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.936 17.372 -8.527 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.598 18.152 -5.674 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.835 19.123 -6.917 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.717 19.518 -6.247 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.512 18.851 -5.141 1.00 0.00 H new ATOM 271 N ALA A 18 -4.446 15.251 -6.130 1.00 0.00 N ATOM 272 CA ALA A 18 -3.471 14.474 -5.369 1.00 0.00 C ATOM 273 C ALA A 18 -2.168 14.320 -6.151 1.00 0.00 C ATOM 274 O ALA A 18 -2.198 14.065 -7.359 1.00 0.00 O ATOM 275 CB ALA A 18 -4.051 13.118 -4.973 1.00 0.00 C ATOM 0 H ALA A 18 -5.370 14.820 -6.163 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.241 15.016 -4.452 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.308 12.556 -4.407 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.939 13.267 -4.358 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.321 12.562 -5.871 1.00 0.00 H new ATOM 281 N SER A 19 -1.042 14.445 -5.460 1.00 0.00 N ATOM 282 CA SER A 19 0.295 14.294 -5.990 1.00 0.00 C ATOM 283 C SER A 19 1.173 13.867 -4.819 1.00 0.00 C ATOM 284 O SER A 19 0.828 14.096 -3.653 1.00 0.00 O ATOM 285 CB SER A 19 0.778 15.605 -6.627 1.00 0.00 C ATOM 286 OG SER A 19 0.341 16.769 -5.931 1.00 0.00 O ATOM 0 H SER A 19 -1.044 14.666 -4.464 1.00 0.00 H new ATOM 0 HA SER A 19 0.333 13.547 -6.783 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.867 15.602 -6.665 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.423 15.652 -7.657 1.00 0.00 H new ATOM 0 HG SER A 19 0.601 16.703 -4.988 1.00 0.00 H new ATOM 292 N PHE A 20 2.259 13.186 -5.149 1.00 0.00 N ATOM 293 CA PHE A 20 3.270 12.758 -4.227 1.00 0.00 C ATOM 294 C PHE A 20 3.914 13.982 -3.595 1.00 0.00 C ATOM 295 O PHE A 20 3.783 15.121 -4.061 1.00 0.00 O ATOM 296 CB PHE A 20 4.288 11.861 -4.955 1.00 0.00 C ATOM 297 CG PHE A 20 5.238 11.051 -4.082 1.00 0.00 C ATOM 298 CD1 PHE A 20 4.770 10.334 -2.965 1.00 0.00 C ATOM 299 CD2 PHE A 20 6.606 10.984 -4.402 1.00 0.00 C ATOM 300 CE1 PHE A 20 5.661 9.578 -2.185 1.00 0.00 C ATOM 301 CE2 PHE A 20 7.498 10.232 -3.626 1.00 0.00 C ATOM 302 CZ PHE A 20 7.018 9.518 -2.520 1.00 0.00 C ATOM 0 H PHE A 20 2.458 12.910 -6.111 1.00 0.00 H new ATOM 0 HA PHE A 20 2.835 12.161 -3.425 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.737 11.168 -5.591 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.886 12.491 -5.614 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.722 10.365 -2.706 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.976 11.522 -5.262 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.296 9.040 -1.322 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.548 10.203 -3.878 1.00 0.00 H new ATOM 0 HZ PHE A 20 7.695 8.922 -1.927 1.00 0.00 H new ATOM 312 N ASP A 21 4.564 13.695 -2.487 1.00 0.00 N ATOM 313 CA ASP A 21 4.992 14.611 -1.461 1.00 0.00 C ATOM 314 C ASP A 21 6.166 13.880 -0.775 1.00 0.00 C ATOM 315 O ASP A 21 6.326 12.669 -0.977 1.00 0.00 O ATOM 316 CB ASP A 21 3.766 14.819 -0.543 1.00 0.00 C ATOM 317 CG ASP A 21 3.969 15.433 0.843 1.00 0.00 C ATOM 318 OD1 ASP A 21 4.956 16.150 1.121 1.00 0.00 O ATOM 319 OD2 ASP A 21 3.129 15.176 1.744 1.00 0.00 O ATOM 0 H ASP A 21 4.826 12.734 -2.267 1.00 0.00 H new ATOM 0 HA ASP A 21 5.325 15.595 -1.790 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.057 15.448 -1.080 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.290 13.848 -0.406 1.00 0.00 H new ATOM 324 N ASN A 22 6.972 14.533 0.065 1.00 0.00 N ATOM 325 CA ASN A 22 8.174 13.947 0.677 1.00 0.00 C ATOM 326 C ASN A 22 7.873 12.825 1.698 1.00 0.00 C ATOM 327 O ASN A 22 8.699 12.570 2.575 1.00 0.00 O ATOM 328 CB ASN A 22 9.110 15.031 1.258 1.00 0.00 C ATOM 329 CG ASN A 22 10.160 15.475 0.257 1.00 0.00 C ATOM 330 OD1 ASN A 22 10.016 16.510 -0.393 1.00 0.00 O ATOM 331 ND2 ASN A 22 11.208 14.690 0.090 1.00 0.00 N ATOM 0 H ASN A 22 6.808 15.500 0.346 1.00 0.00 H new ATOM 0 HA ASN A 22 8.707 13.456 -0.137 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.518 15.892 1.568 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.602 14.644 2.151 1.00 0.00 H new ATOM 0 HD21 ASN A 22 11.925 14.935 -0.592 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.300 13.838 0.643 1.00 0.00 H new ATOM 338 N PHE A 23 6.711 12.159 1.680 1.00 0.00 N ATOM 339 CA PHE A 23 6.484 11.013 2.554 1.00 0.00 C ATOM 340 C PHE A 23 7.399 9.872 2.124 1.00 0.00 C ATOM 341 O PHE A 23 7.521 9.553 0.940 1.00 0.00 O ATOM 342 CB PHE A 23 5.003 10.590 2.653 1.00 0.00 C ATOM 343 CG PHE A 23 4.404 9.751 1.537 1.00 0.00 C ATOM 344 CD1 PHE A 23 4.641 8.362 1.456 1.00 0.00 C ATOM 345 CD2 PHE A 23 3.503 10.345 0.639 1.00 0.00 C ATOM 346 CE1 PHE A 23 4.001 7.584 0.474 1.00 0.00 C ATOM 347 CE2 PHE A 23 2.825 9.562 -0.312 1.00 0.00 C ATOM 348 CZ PHE A 23 3.093 8.184 -0.415 1.00 0.00 C ATOM 0 H PHE A 23 5.924 12.395 1.075 1.00 0.00 H new ATOM 0 HA PHE A 23 6.738 11.308 3.572 1.00 0.00 H new ATOM 0 HB2 PHE A 23 4.880 10.037 3.584 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.406 11.498 2.740 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.319 7.893 2.153 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.330 11.410 0.679 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.207 6.526 0.403 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.097 10.019 -0.965 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.603 7.591 -1.173 1.00 0.00 H new ATOM 358 N LYS A 24 8.026 9.239 3.107 1.00 0.00 N ATOM 359 CA LYS A 24 8.548 7.890 3.007 1.00 0.00 C ATOM 360 C LYS A 24 7.495 6.978 3.620 1.00 0.00 C ATOM 361 O LYS A 24 6.721 7.417 4.474 1.00 0.00 O ATOM 362 CB LYS A 24 9.891 7.832 3.756 1.00 0.00 C ATOM 363 CG LYS A 24 10.402 6.405 3.938 1.00 0.00 C ATOM 364 CD LYS A 24 11.898 6.251 4.254 1.00 0.00 C ATOM 365 CE LYS A 24 12.319 5.039 3.400 1.00 0.00 C ATOM 366 NZ LYS A 24 13.724 4.622 3.540 1.00 0.00 N ATOM 0 H LYS A 24 8.188 9.665 4.019 1.00 0.00 H new ATOM 0 HA LYS A 24 8.740 7.576 1.981 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.633 8.412 3.208 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.778 8.301 4.734 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.833 5.938 4.742 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.186 5.846 3.028 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.460 7.146 3.986 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.068 6.073 5.316 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.680 4.195 3.659 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.130 5.272 2.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.906 3.802 2.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.348 5.406 3.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.912 4.363 4.529 1.00 0.00 H new ATOM 380 N LEU A 25 7.520 5.691 3.288 1.00 0.00 N ATOM 381 CA LEU A 25 6.892 4.664 4.114 1.00 0.00 C ATOM 382 C LEU A 25 7.928 3.628 4.556 1.00 0.00 C ATOM 383 O LEU A 25 9.005 3.546 3.960 1.00 0.00 O ATOM 384 CB LEU A 25 5.613 4.115 3.455 1.00 0.00 C ATOM 385 CG LEU A 25 5.719 3.596 2.010 1.00 0.00 C ATOM 386 CD1 LEU A 25 6.561 2.324 1.896 1.00 0.00 C ATOM 387 CD2 LEU A 25 4.310 3.312 1.481 1.00 0.00 C ATOM 0 H LEU A 25 7.972 5.332 2.447 1.00 0.00 H new ATOM 0 HA LEU A 25 6.527 5.099 5.044 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.238 3.302 4.077 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.861 4.904 3.474 1.00 0.00 H new ATOM 0 HG LEU A 25 6.216 4.367 1.421 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.600 2.005 0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.572 2.523 2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.112 1.535 2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.373 2.944 0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.830 2.560 2.108 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.722 4.230 1.501 1.00 0.00 H new ATOM 399 N THR A 26 7.645 2.887 5.631 1.00 0.00 N ATOM 400 CA THR A 26 8.610 2.102 6.393 1.00 0.00 C ATOM 401 C THR A 26 7.971 0.774 6.818 1.00 0.00 C ATOM 402 O THR A 26 6.798 0.732 7.200 1.00 0.00 O ATOM 403 CB THR A 26 9.089 2.931 7.611 1.00 0.00 C ATOM 404 OG1 THR A 26 8.040 3.417 8.439 1.00 0.00 O ATOM 405 CG2 THR A 26 9.856 4.180 7.183 1.00 0.00 C ATOM 0 H THR A 26 6.699 2.817 6.006 1.00 0.00 H new ATOM 0 HA THR A 26 9.481 1.867 5.781 1.00 0.00 H new ATOM 0 HB THR A 26 9.707 2.222 8.161 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.421 3.927 9.184 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.174 4.733 8.067 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.732 3.888 6.603 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.211 4.812 6.573 1.00 0.00 H new ATOM 413 N CYS A 27 8.705 -0.336 6.768 1.00 0.00 N ATOM 414 CA CYS A 27 8.193 -1.648 7.128 1.00 0.00 C ATOM 415 C CYS A 27 9.322 -2.555 7.610 1.00 0.00 C ATOM 416 O CYS A 27 10.509 -2.344 7.341 1.00 0.00 O ATOM 417 CB CYS A 27 7.376 -2.183 5.941 1.00 0.00 C ATOM 418 SG CYS A 27 7.039 -3.965 5.940 1.00 0.00 S ATOM 0 H CYS A 27 9.681 -0.345 6.473 1.00 0.00 H new ATOM 0 HA CYS A 27 7.515 -1.600 7.980 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.423 -1.654 5.915 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.905 -1.934 5.021 1.00 0.00 H new ATOM 0 HG CYS A 27 6.176 -4.243 5.008 1.00 0.00 H new ATOM 424 N SER A 28 8.916 -3.580 8.351 1.00 0.00 N ATOM 425 CA SER A 28 9.767 -4.597 8.933 1.00 0.00 C ATOM 426 C SER A 28 10.606 -5.287 7.856 1.00 0.00 C ATOM 427 O SER A 28 11.814 -5.489 8.016 1.00 0.00 O ATOM 428 CB SER A 28 8.871 -5.595 9.675 1.00 0.00 C ATOM 429 OG SER A 28 7.754 -6.023 8.906 1.00 0.00 O ATOM 0 H SER A 28 7.931 -3.726 8.570 1.00 0.00 H new ATOM 0 HA SER A 28 10.470 -4.146 9.634 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.464 -6.465 9.958 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.515 -5.137 10.598 1.00 0.00 H new ATOM 0 HG SER A 28 7.221 -6.658 9.429 1.00 0.00 H new ATOM 435 N ASN A 29 9.965 -5.617 6.737 1.00 0.00 N ATOM 436 CA ASN A 29 10.629 -6.013 5.515 1.00 0.00 C ATOM 437 C ASN A 29 11.079 -4.741 4.802 1.00 0.00 C ATOM 438 O ASN A 29 10.229 -3.984 4.325 1.00 0.00 O ATOM 439 CB ASN A 29 9.674 -6.821 4.639 1.00 0.00 C ATOM 440 CG ASN A 29 10.445 -7.351 3.448 1.00 0.00 C ATOM 441 OD1 ASN A 29 10.760 -6.631 2.519 1.00 0.00 O ATOM 442 ND2 ASN A 29 10.807 -8.611 3.450 1.00 0.00 N ATOM 0 H ASN A 29 8.948 -5.614 6.662 1.00 0.00 H new ATOM 0 HA ASN A 29 11.491 -6.645 5.729 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.243 -7.645 5.208 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.845 -6.196 4.306 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.352 -8.986 2.674 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.544 -9.216 4.228 1.00 0.00 H new ATOM 449 N THR A 30 12.387 -4.476 4.749 1.00 0.00 N ATOM 450 CA THR A 30 12.880 -3.277 4.080 1.00 0.00 C ATOM 451 C THR A 30 12.501 -3.296 2.601 1.00 0.00 C ATOM 452 O THR A 30 11.950 -2.309 2.128 1.00 0.00 O ATOM 453 CB THR A 30 14.388 -3.089 4.289 1.00 0.00 C ATOM 454 OG1 THR A 30 15.105 -4.253 3.926 1.00 0.00 O ATOM 455 CG2 THR A 30 14.703 -2.757 5.749 1.00 0.00 C ATOM 0 H THR A 30 13.111 -5.068 5.156 1.00 0.00 H new ATOM 0 HA THR A 30 12.397 -2.412 4.534 1.00 0.00 H new ATOM 0 HB THR A 30 14.695 -2.261 3.651 1.00 0.00 H new ATOM 0 HG1 THR A 30 16.063 -4.104 4.068 1.00 0.00 H new ATOM 0 HG21 THR A 30 15.779 -2.629 5.869 1.00 0.00 H new ATOM 0 HG22 THR A 30 14.194 -1.835 6.030 1.00 0.00 H new ATOM 0 HG23 THR A 30 14.361 -3.570 6.389 1.00 0.00 H new ATOM 463 N LYS A 31 12.725 -4.413 1.892 1.00 0.00 N ATOM 464 CA LYS A 31 12.408 -4.546 0.469 1.00 0.00 C ATOM 465 C LYS A 31 10.976 -4.110 0.172 1.00 0.00 C ATOM 466 O LYS A 31 10.771 -3.436 -0.833 1.00 0.00 O ATOM 467 CB LYS A 31 12.702 -5.971 -0.047 1.00 0.00 C ATOM 468 CG LYS A 31 12.087 -6.292 -1.430 1.00 0.00 C ATOM 469 CD LYS A 31 12.694 -5.452 -2.559 1.00 0.00 C ATOM 470 CE LYS A 31 14.082 -5.957 -2.963 1.00 0.00 C ATOM 471 NZ LYS A 31 14.032 -7.134 -3.854 1.00 0.00 N ATOM 0 H LYS A 31 13.135 -5.254 2.297 1.00 0.00 H new ATOM 0 HA LYS A 31 13.065 -3.870 -0.079 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.782 -6.108 -0.103 1.00 0.00 H new ATOM 0 HB3 LYS A 31 12.327 -6.692 0.680 1.00 0.00 H new ATOM 0 HG2 LYS A 31 12.233 -7.349 -1.651 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.011 -6.120 -1.393 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.033 -5.476 -3.425 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.765 -4.412 -2.240 1.00 0.00 H new ATOM 0 HE2 LYS A 31 14.624 -5.153 -3.462 1.00 0.00 H new ATOM 0 HE3 LYS A 31 14.645 -6.212 -2.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 15.000 -7.430 -4.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.541 -7.914 -3.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.520 -6.888 -4.725 1.00 0.00 H new ATOM 485 N PHE A 32 9.993 -4.481 0.998 1.00 0.00 N ATOM 486 CA PHE A 32 8.612 -4.097 0.743 1.00 0.00 C ATOM 487 C PHE A 32 8.479 -2.583 0.612 1.00 0.00 C ATOM 488 O PHE A 32 8.006 -2.088 -0.410 1.00 0.00 O ATOM 489 CB PHE A 32 7.695 -4.618 1.854 1.00 0.00 C ATOM 490 CG PHE A 32 6.225 -4.655 1.470 1.00 0.00 C ATOM 491 CD1 PHE A 32 5.830 -5.314 0.290 1.00 0.00 C ATOM 492 CD2 PHE A 32 5.248 -4.044 2.278 1.00 0.00 C ATOM 493 CE1 PHE A 32 4.481 -5.347 -0.099 1.00 0.00 C ATOM 494 CE2 PHE A 32 3.894 -4.088 1.897 1.00 0.00 C ATOM 495 CZ PHE A 32 3.513 -4.726 0.704 1.00 0.00 C ATOM 0 H PHE A 32 10.131 -5.041 1.839 1.00 0.00 H new ATOM 0 HA PHE A 32 8.307 -4.548 -0.202 1.00 0.00 H new ATOM 0 HB2 PHE A 32 8.013 -5.622 2.134 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.815 -3.989 2.736 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.574 -5.800 -0.324 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.537 -3.542 3.189 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.191 -5.847 -1.011 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.144 -3.629 2.524 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.475 -4.738 0.406 1.00 0.00 H new ATOM 505 N ALA A 33 8.914 -1.851 1.639 1.00 0.00 N ATOM 506 CA ALA A 33 8.868 -0.402 1.627 1.00 0.00 C ATOM 507 C ALA A 33 9.828 0.177 0.588 1.00 0.00 C ATOM 508 O ALA A 33 9.551 1.246 0.063 1.00 0.00 O ATOM 509 CB ALA A 33 9.225 0.118 3.024 1.00 0.00 C ATOM 0 H ALA A 33 9.304 -2.250 2.493 1.00 0.00 H new ATOM 0 HA ALA A 33 7.861 -0.085 1.356 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.193 1.208 3.026 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.509 -0.267 3.750 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.227 -0.216 3.291 1.00 0.00 H new ATOM 515 N ASP A 34 10.950 -0.480 0.312 1.00 0.00 N ATOM 516 CA ASP A 34 11.981 -0.015 -0.616 1.00 0.00 C ATOM 517 C ASP A 34 11.397 0.093 -2.006 1.00 0.00 C ATOM 518 O ASP A 34 11.449 1.158 -2.607 1.00 0.00 O ATOM 519 CB ASP A 34 13.184 -0.968 -0.680 1.00 0.00 C ATOM 520 CG ASP A 34 14.184 -0.471 -1.725 1.00 0.00 C ATOM 521 OD1 ASP A 34 14.854 0.540 -1.416 1.00 0.00 O ATOM 522 OD2 ASP A 34 14.295 -1.052 -2.831 1.00 0.00 O ATOM 0 H ASP A 34 11.176 -1.378 0.740 1.00 0.00 H new ATOM 0 HA ASP A 34 12.325 0.953 -0.251 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.664 -1.028 0.297 1.00 0.00 H new ATOM 0 HB3 ASP A 34 12.849 -1.974 -0.933 1.00 0.00 H new ATOM 527 N ASP A 35 10.831 -1.006 -2.499 1.00 0.00 N ATOM 528 CA ASP A 35 10.349 -1.107 -3.867 1.00 0.00 C ATOM 529 C ASP A 35 9.164 -0.151 -4.073 1.00 0.00 C ATOM 530 O ASP A 35 9.055 0.496 -5.112 1.00 0.00 O ATOM 531 CB ASP A 35 10.007 -2.563 -4.172 1.00 0.00 C ATOM 532 CG ASP A 35 10.420 -2.986 -5.580 1.00 0.00 C ATOM 533 OD1 ASP A 35 9.598 -2.851 -6.512 1.00 0.00 O ATOM 534 OD2 ASP A 35 11.540 -3.532 -5.731 1.00 0.00 O ATOM 0 H ASP A 35 10.695 -1.856 -1.953 1.00 0.00 H new ATOM 0 HA ASP A 35 11.121 -0.802 -4.573 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.501 -3.207 -3.445 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.934 -2.712 -4.053 1.00 0.00 H new ATOM 539 N LEU A 36 8.318 0.019 -3.049 1.00 0.00 N ATOM 540 CA LEU A 36 7.243 1.015 -3.018 1.00 0.00 C ATOM 541 C LEU A 36 7.807 2.448 -3.056 1.00 0.00 C ATOM 542 O LEU A 36 7.333 3.289 -3.829 1.00 0.00 O ATOM 543 CB LEU A 36 6.404 0.822 -1.735 1.00 0.00 C ATOM 544 CG LEU A 36 5.148 -0.059 -1.863 1.00 0.00 C ATOM 545 CD1 LEU A 36 5.369 -1.389 -2.596 1.00 0.00 C ATOM 546 CD2 LEU A 36 4.584 -0.358 -0.468 1.00 0.00 C ATOM 0 H LEU A 36 8.364 -0.546 -2.201 1.00 0.00 H new ATOM 0 HA LEU A 36 6.618 0.874 -3.900 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.047 0.390 -0.968 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.097 1.805 -1.377 1.00 0.00 H new ATOM 0 HG LEU A 36 4.450 0.518 -2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.430 -1.942 -2.638 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.720 -1.192 -3.609 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.114 -1.979 -2.062 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.695 -0.982 -0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.335 -0.882 0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.321 0.577 0.026 1.00 0.00 H new ATOM 558 N ASN A 37 8.817 2.742 -2.229 1.00 0.00 N ATOM 559 CA ASN A 37 9.466 4.051 -2.181 1.00 0.00 C ATOM 560 C ASN A 37 10.166 4.357 -3.507 1.00 0.00 C ATOM 561 O ASN A 37 10.216 5.508 -3.938 1.00 0.00 O ATOM 562 CB ASN A 37 10.488 4.090 -1.033 1.00 0.00 C ATOM 563 CG ASN A 37 9.891 4.465 0.324 1.00 0.00 C ATOM 564 OD1 ASN A 37 9.249 5.497 0.500 1.00 0.00 O ATOM 565 ND2 ASN A 37 10.118 3.638 1.329 1.00 0.00 N ATOM 0 H ASN A 37 9.208 2.069 -1.569 1.00 0.00 H new ATOM 0 HA ASN A 37 8.700 4.807 -2.009 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.963 3.112 -0.951 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.272 4.805 -1.283 1.00 0.00 H new ATOM 0 HD21 ASN A 37 9.759 3.855 2.259 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.652 2.783 1.175 1.00 0.00 H new ATOM 572 N GLN A 38 10.683 3.327 -4.172 1.00 0.00 N ATOM 573 CA GLN A 38 11.346 3.391 -5.446 1.00 0.00 C ATOM 574 C GLN A 38 10.344 3.799 -6.504 1.00 0.00 C ATOM 575 O GLN A 38 10.644 4.719 -7.259 1.00 0.00 O ATOM 576 CB GLN A 38 11.948 2.017 -5.737 1.00 0.00 C ATOM 577 CG GLN A 38 13.434 1.995 -5.398 1.00 0.00 C ATOM 578 CD GLN A 38 14.239 2.660 -6.505 1.00 0.00 C ATOM 579 OE1 GLN A 38 14.348 2.102 -7.593 1.00 0.00 O ATOM 580 NE2 GLN A 38 14.816 3.828 -6.284 1.00 0.00 N ATOM 0 H GLN A 38 10.641 2.377 -3.804 1.00 0.00 H new ATOM 0 HA GLN A 38 12.146 4.131 -5.442 1.00 0.00 H new ATOM 0 HB2 GLN A 38 11.427 1.256 -5.156 1.00 0.00 H new ATOM 0 HB3 GLN A 38 11.806 1.768 -6.789 1.00 0.00 H new ATOM 0 HG2 GLN A 38 13.606 2.511 -4.454 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.768 0.966 -5.264 1.00 0.00 H new ATOM 0 HE21 GLN A 38 14.718 4.282 -5.376 1.00 0.00 H new ATOM 0 HE22 GLN A 38 15.359 4.276 -7.022 1.00 0.00 H new ATOM 589 N MET A 39 9.175 3.153 -6.533 1.00 0.00 N ATOM 590 CA MET A 39 8.122 3.458 -7.485 1.00 0.00 C ATOM 591 C MET A 39 7.756 4.943 -7.432 1.00 0.00 C ATOM 592 O MET A 39 7.671 5.592 -8.472 1.00 0.00 O ATOM 593 CB MET A 39 6.891 2.588 -7.200 1.00 0.00 C ATOM 594 CG MET A 39 7.081 1.115 -7.574 1.00 0.00 C ATOM 595 SD MET A 39 5.961 -0.076 -6.773 1.00 0.00 S ATOM 596 CE MET A 39 4.414 0.864 -6.718 1.00 0.00 C ATOM 0 H MET A 39 8.938 2.399 -5.888 1.00 0.00 H new ATOM 0 HA MET A 39 8.484 3.237 -8.489 1.00 0.00 H new ATOM 0 HB2 MET A 39 6.646 2.656 -6.140 1.00 0.00 H new ATOM 0 HB3 MET A 39 6.039 2.987 -7.751 1.00 0.00 H new ATOM 0 HG2 MET A 39 6.966 1.019 -8.654 1.00 0.00 H new ATOM 0 HG3 MET A 39 8.107 0.832 -7.337 1.00 0.00 H new ATOM 0 HE1 MET A 39 4.234 1.209 -5.700 1.00 0.00 H new ATOM 0 HE2 MET A 39 4.486 1.723 -7.385 1.00 0.00 H new ATOM 0 HE3 MET A 39 3.589 0.226 -7.036 1.00 0.00 H new ATOM 606 N THR A 40 7.516 5.470 -6.230 1.00 0.00 N ATOM 607 CA THR A 40 7.133 6.863 -6.041 1.00 0.00 C ATOM 608 C THR A 40 8.252 7.873 -6.331 1.00 0.00 C ATOM 609 O THR A 40 7.932 8.989 -6.743 1.00 0.00 O ATOM 610 CB THR A 40 6.571 7.043 -4.627 1.00 0.00 C ATOM 611 OG1 THR A 40 7.378 6.457 -3.614 1.00 0.00 O ATOM 612 CG2 THR A 40 5.207 6.391 -4.487 1.00 0.00 C ATOM 0 H THR A 40 7.583 4.939 -5.362 1.00 0.00 H new ATOM 0 HA THR A 40 6.366 7.085 -6.783 1.00 0.00 H new ATOM 0 HB THR A 40 6.530 8.124 -4.494 1.00 0.00 H new ATOM 0 HG1 THR A 40 8.283 6.311 -3.960 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.836 6.537 -3.472 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.513 6.843 -5.195 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.291 5.324 -4.693 1.00 0.00 H new ATOM 620 N GLY A 41 9.527 7.499 -6.165 1.00 0.00 N ATOM 621 CA GLY A 41 10.663 8.386 -6.409 1.00 0.00 C ATOM 622 C GLY A 41 11.220 9.034 -5.137 1.00 0.00 C ATOM 623 O GLY A 41 11.973 10.003 -5.238 1.00 0.00 O ATOM 0 H GLY A 41 9.797 6.565 -5.855 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.457 7.820 -6.896 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.359 9.170 -7.103 1.00 0.00 H new ATOM 627 N PHE A 42 10.849 8.521 -3.957 1.00 0.00 N ATOM 628 CA PHE A 42 11.119 9.107 -2.644 1.00 0.00 C ATOM 629 C PHE A 42 12.585 9.547 -2.468 1.00 0.00 C ATOM 630 O PHE A 42 13.504 8.735 -2.612 1.00 0.00 O ATOM 631 CB PHE A 42 10.697 8.105 -1.552 1.00 0.00 C ATOM 632 CG PHE A 42 11.403 8.311 -0.227 1.00 0.00 C ATOM 633 CD1 PHE A 42 11.316 9.541 0.447 1.00 0.00 C ATOM 634 CD2 PHE A 42 12.292 7.329 0.237 1.00 0.00 C ATOM 635 CE1 PHE A 42 12.149 9.800 1.543 1.00 0.00 C ATOM 636 CE2 PHE A 42 13.100 7.575 1.355 1.00 0.00 C ATOM 637 CZ PHE A 42 13.033 8.814 2.007 1.00 0.00 C ATOM 0 H PHE A 42 10.329 7.646 -3.892 1.00 0.00 H new ATOM 0 HA PHE A 42 10.531 10.020 -2.555 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.621 8.184 -1.396 1.00 0.00 H new ATOM 0 HB3 PHE A 42 10.895 7.093 -1.905 1.00 0.00 H new ATOM 0 HD1 PHE A 42 10.607 10.287 0.120 1.00 0.00 H new ATOM 0 HD2 PHE A 42 12.354 6.378 -0.271 1.00 0.00 H new ATOM 0 HE1 PHE A 42 12.111 10.762 2.033 1.00 0.00 H new ATOM 0 HE2 PHE A 42 13.774 6.811 1.714 1.00 0.00 H new ATOM 0 HZ PHE A 42 13.660 9.009 2.864 1.00 0.00 H new ATOM 647 N THR A 43 12.797 10.797 -2.043 1.00 0.00 N ATOM 648 CA THR A 43 14.087 11.390 -1.717 1.00 0.00 C ATOM 649 C THR A 43 13.996 11.975 -0.302 1.00 0.00 C ATOM 650 O THR A 43 12.935 12.407 0.154 1.00 0.00 O ATOM 651 CB THR A 43 14.431 12.410 -2.813 1.00 0.00 C ATOM 652 OG1 THR A 43 14.392 11.763 -4.074 1.00 0.00 O ATOM 653 CG2 THR A 43 15.836 12.990 -2.642 1.00 0.00 C ATOM 0 H THR A 43 12.027 11.453 -1.912 1.00 0.00 H new ATOM 0 HA THR A 43 14.903 10.668 -1.700 1.00 0.00 H new ATOM 0 HB THR A 43 13.703 13.218 -2.743 1.00 0.00 H new ATOM 0 HG1 THR A 43 14.609 12.408 -4.779 1.00 0.00 H new ATOM 0 HG21 THR A 43 16.034 13.706 -3.440 1.00 0.00 H new ATOM 0 HG22 THR A 43 15.907 13.493 -1.678 1.00 0.00 H new ATOM 0 HG23 THR A 43 16.570 12.185 -2.687 1.00 0.00 H new ATOM 661 N LYS A 44 15.091 11.906 0.458 1.00 0.00 N ATOM 662 CA LYS A 44 15.167 12.473 1.792 1.00 0.00 C ATOM 663 C LYS A 44 15.487 13.970 1.709 1.00 0.00 C ATOM 664 O LYS A 44 16.058 14.433 0.721 1.00 0.00 O ATOM 665 CB LYS A 44 16.239 11.713 2.592 1.00 0.00 C ATOM 666 CG LYS A 44 15.656 10.616 3.494 1.00 0.00 C ATOM 667 CD LYS A 44 16.453 10.515 4.790 1.00 0.00 C ATOM 668 CE LYS A 44 15.900 9.454 5.745 1.00 0.00 C ATOM 669 NZ LYS A 44 15.038 10.015 6.810 1.00 0.00 N ATOM 0 H LYS A 44 15.952 11.450 0.156 1.00 0.00 H new ATOM 0 HA LYS A 44 14.209 12.370 2.301 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.950 11.264 1.899 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.795 12.421 3.206 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.612 10.837 3.718 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.675 9.659 2.972 1.00 0.00 H new ATOM 0 HD2 LYS A 44 17.491 10.280 4.555 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.450 11.484 5.289 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.329 8.723 5.173 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.732 8.920 6.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.697 9.246 7.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.585 10.692 7.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.226 10.501 6.379 1.00 0.00 H new ATOM 683 N PRO A 45 15.245 14.700 2.807 1.00 0.00 N ATOM 684 CA PRO A 45 14.700 14.168 4.050 1.00 0.00 C ATOM 685 C PRO A 45 13.212 13.845 3.921 1.00 0.00 C ATOM 686 O PRO A 45 12.465 14.652 3.379 1.00 0.00 O ATOM 687 CB PRO A 45 14.900 15.271 5.068 1.00 0.00 C ATOM 688 CG PRO A 45 14.863 16.553 4.233 1.00 0.00 C ATOM 689 CD PRO A 45 15.492 16.127 2.910 1.00 0.00 C ATOM 0 HA PRO A 45 15.194 13.237 4.329 1.00 0.00 H new ATOM 0 HB2 PRO A 45 14.115 15.264 5.824 1.00 0.00 H new ATOM 0 HB3 PRO A 45 15.849 15.163 5.593 1.00 0.00 H new ATOM 0 HG2 PRO A 45 13.844 16.915 4.096 1.00 0.00 H new ATOM 0 HG3 PRO A 45 15.426 17.358 4.706 1.00 0.00 H new ATOM 0 HD2 PRO A 45 15.047 16.664 2.072 1.00 0.00 H new ATOM 0 HD3 PRO A 45 16.560 16.343 2.895 1.00 0.00 H new ATOM 697 N ALA A 46 12.762 12.666 4.383 1.00 0.00 N ATOM 698 CA ALA A 46 11.343 12.401 4.279 1.00 0.00 C ATOM 699 C ALA A 46 10.599 13.289 5.287 1.00 0.00 C ATOM 700 O ALA A 46 10.983 13.326 6.461 1.00 0.00 O ATOM 701 CB ALA A 46 11.011 10.924 4.474 1.00 0.00 C ATOM 0 H ALA A 46 13.330 11.931 4.805 1.00 0.00 H new ATOM 0 HA ALA A 46 11.014 12.644 3.269 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.934 10.778 4.387 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.520 10.333 3.713 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.341 10.604 5.462 1.00 0.00 H new ATOM 707 N SER A 47 9.537 13.962 4.853 1.00 0.00 N ATOM 708 CA SER A 47 8.708 14.846 5.667 1.00 0.00 C ATOM 709 C SER A 47 7.792 14.072 6.638 1.00 0.00 C ATOM 710 O SER A 47 7.287 14.633 7.618 1.00 0.00 O ATOM 711 CB SER A 47 7.895 15.727 4.711 1.00 0.00 C ATOM 712 OG SER A 47 7.251 16.789 5.382 1.00 0.00 O ATOM 0 H SER A 47 9.218 13.904 3.886 1.00 0.00 H new ATOM 0 HA SER A 47 9.348 15.459 6.302 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.554 16.131 3.943 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.150 15.116 4.202 1.00 0.00 H new ATOM 0 HG SER A 47 6.746 17.326 4.736 1.00 0.00 H new ATOM 718 N ARG A 48 7.562 12.783 6.392 1.00 0.00 N ATOM 719 CA ARG A 48 6.905 11.839 7.297 1.00 0.00 C ATOM 720 C ARG A 48 7.352 10.446 6.884 1.00 0.00 C ATOM 721 O ARG A 48 7.843 10.258 5.768 1.00 0.00 O ATOM 722 CB ARG A 48 5.365 11.969 7.280 1.00 0.00 C ATOM 723 CG ARG A 48 4.794 12.345 5.908 1.00 0.00 C ATOM 724 CD ARG A 48 3.302 12.055 5.742 1.00 0.00 C ATOM 725 NE ARG A 48 2.791 12.754 4.559 1.00 0.00 N ATOM 726 CZ ARG A 48 1.528 12.796 4.124 1.00 0.00 C ATOM 727 NH1 ARG A 48 0.588 12.006 4.641 1.00 0.00 N ATOM 728 NH2 ARG A 48 1.209 13.649 3.155 1.00 0.00 N ATOM 0 H ARG A 48 7.842 12.347 5.514 1.00 0.00 H new ATOM 0 HA ARG A 48 7.194 12.053 8.326 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.926 11.024 7.600 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.065 12.723 8.008 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.966 13.407 5.735 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.344 11.804 5.139 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.139 10.982 5.641 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.758 12.377 6.630 1.00 0.00 H new ATOM 0 HE ARG A 48 3.477 13.266 4.005 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.826 11.351 5.386 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.369 12.057 4.292 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.923 14.258 2.756 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.250 13.694 2.811 1.00 0.00 H new ATOM 742 N GLU A 49 7.169 9.470 7.764 1.00 0.00 N ATOM 743 CA GLU A 49 7.604 8.097 7.567 1.00 0.00 C ATOM 744 C GLU A 49 6.462 7.194 8.026 1.00 0.00 C ATOM 745 O GLU A 49 6.300 6.952 9.223 1.00 0.00 O ATOM 746 CB GLU A 49 8.899 7.834 8.341 1.00 0.00 C ATOM 747 CG GLU A 49 10.132 8.496 7.702 1.00 0.00 C ATOM 748 CD GLU A 49 11.273 8.793 8.682 1.00 0.00 C ATOM 749 OE1 GLU A 49 11.306 9.880 9.316 1.00 0.00 O ATOM 750 OE2 GLU A 49 12.254 8.021 8.670 1.00 0.00 O ATOM 0 H GLU A 49 6.701 9.618 8.658 1.00 0.00 H new ATOM 0 HA GLU A 49 7.828 7.895 6.520 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.786 8.200 9.361 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.064 6.759 8.405 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.509 7.847 6.911 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.824 9.429 7.229 1.00 0.00 H new ATOM 757 N LEU A 50 5.598 6.799 7.096 1.00 0.00 N ATOM 758 CA LEU A 50 4.366 6.058 7.374 1.00 0.00 C ATOM 759 C LEU A 50 4.678 4.579 7.522 1.00 0.00 C ATOM 760 O LEU A 50 5.349 4.006 6.672 1.00 0.00 O ATOM 761 CB LEU A 50 3.333 6.203 6.247 1.00 0.00 C ATOM 762 CG LEU A 50 2.806 7.612 5.935 1.00 0.00 C ATOM 763 CD1 LEU A 50 2.775 8.556 7.144 1.00 0.00 C ATOM 764 CD2 LEU A 50 3.504 8.238 4.743 1.00 0.00 C ATOM 0 H LEU A 50 5.736 6.988 6.103 1.00 0.00 H new ATOM 0 HA LEU A 50 3.950 6.473 8.292 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.774 5.801 5.335 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.478 5.573 6.493 1.00 0.00 H new ATOM 0 HG LEU A 50 1.761 7.464 5.661 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.390 9.528 6.837 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.129 8.138 7.916 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.784 8.673 7.540 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.096 9.233 4.563 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.572 8.315 4.946 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.346 7.617 3.861 1.00 0.00 H new ATOM 776 N SER A 51 4.161 3.922 8.550 1.00 0.00 N ATOM 777 CA SER A 51 4.502 2.523 8.792 1.00 0.00 C ATOM 778 C SER A 51 3.441 1.627 8.177 1.00 0.00 C ATOM 779 O SER A 51 2.252 1.785 8.456 1.00 0.00 O ATOM 780 CB SER A 51 4.656 2.261 10.293 1.00 0.00 C ATOM 781 OG SER A 51 5.985 1.895 10.620 1.00 0.00 O ATOM 0 H SER A 51 3.511 4.327 9.224 1.00 0.00 H new ATOM 0 HA SER A 51 5.458 2.296 8.321 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.375 3.155 10.851 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.973 1.468 10.597 1.00 0.00 H new ATOM 0 HG SER A 51 6.053 1.736 11.585 1.00 0.00 H new ATOM 787 N VAL A 52 3.881 0.676 7.356 1.00 0.00 N ATOM 788 CA VAL A 52 3.030 -0.353 6.792 1.00 0.00 C ATOM 789 C VAL A 52 3.119 -1.570 7.726 1.00 0.00 C ATOM 790 O VAL A 52 4.180 -1.832 8.298 1.00 0.00 O ATOM 791 CB VAL A 52 3.525 -0.631 5.363 1.00 0.00 C ATOM 792 CG1 VAL A 52 2.578 -1.588 4.622 1.00 0.00 C ATOM 793 CG2 VAL A 52 3.704 0.640 4.506 1.00 0.00 C ATOM 0 H VAL A 52 4.855 0.603 7.063 1.00 0.00 H new ATOM 0 HA VAL A 52 1.981 -0.068 6.719 1.00 0.00 H new ATOM 0 HB VAL A 52 4.507 -1.087 5.492 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.955 -1.765 3.615 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.523 -2.534 5.160 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.584 -1.144 4.565 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.055 0.362 3.512 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.749 1.159 4.422 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.434 1.297 4.978 1.00 0.00 H new ATOM 803 N THR A 53 2.023 -2.301 7.896 1.00 0.00 N ATOM 804 CA THR A 53 1.886 -3.456 8.782 1.00 0.00 C ATOM 805 C THR A 53 1.244 -4.592 7.988 1.00 0.00 C ATOM 806 O THR A 53 0.511 -4.317 7.044 1.00 0.00 O ATOM 807 CB THR A 53 1.097 -3.035 10.022 1.00 0.00 C ATOM 808 OG1 THR A 53 -0.067 -2.261 9.756 1.00 0.00 O ATOM 809 CG2 THR A 53 1.992 -2.198 10.949 1.00 0.00 C ATOM 0 H THR A 53 1.159 -2.095 7.394 1.00 0.00 H new ATOM 0 HA THR A 53 2.848 -3.823 9.141 1.00 0.00 H new ATOM 0 HB THR A 53 0.774 -3.972 10.477 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.149 -1.558 9.108 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.425 -1.901 11.831 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.854 -2.791 11.255 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.333 -1.308 10.420 1.00 0.00 H new ATOM 817 N PHE A 54 1.586 -5.849 8.274 1.00 0.00 N ATOM 818 CA PHE A 54 1.067 -7.019 7.573 1.00 0.00 C ATOM 819 C PHE A 54 0.105 -7.734 8.485 1.00 0.00 C ATOM 820 O PHE A 54 0.496 -8.033 9.613 1.00 0.00 O ATOM 821 CB PHE A 54 2.195 -8.001 7.268 1.00 0.00 C ATOM 822 CG PHE A 54 3.300 -7.460 6.407 1.00 0.00 C ATOM 823 CD1 PHE A 54 3.036 -7.134 5.070 1.00 0.00 C ATOM 824 CD2 PHE A 54 4.612 -7.421 6.902 1.00 0.00 C ATOM 825 CE1 PHE A 54 4.092 -6.791 4.210 1.00 0.00 C ATOM 826 CE2 PHE A 54 5.675 -7.162 6.020 1.00 0.00 C ATOM 827 CZ PHE A 54 5.414 -6.807 4.683 1.00 0.00 C ATOM 0 H PHE A 54 2.246 -6.085 9.015 1.00 0.00 H new ATOM 0 HA PHE A 54 0.592 -6.689 6.649 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.624 -8.341 8.211 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.770 -8.877 6.778 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.021 -7.147 4.701 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.803 -7.589 7.952 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.887 -6.515 3.186 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.695 -7.235 6.369 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.228 -6.548 4.023 1.00 0.00 H new ATOM 837 N PHE A 55 -1.100 -8.065 8.019 1.00 0.00 N ATOM 838 CA PHE A 55 -2.095 -8.643 8.905 1.00 0.00 C ATOM 839 C PHE A 55 -1.534 -9.864 9.665 1.00 0.00 C ATOM 840 O PHE A 55 -0.716 -10.607 9.118 1.00 0.00 O ATOM 841 CB PHE A 55 -3.340 -9.012 8.070 1.00 0.00 C ATOM 842 CG PHE A 55 -4.641 -8.431 8.578 1.00 0.00 C ATOM 843 CD1 PHE A 55 -4.793 -7.041 8.714 1.00 0.00 C ATOM 844 CD2 PHE A 55 -5.706 -9.286 8.919 1.00 0.00 C ATOM 845 CE1 PHE A 55 -6.009 -6.510 9.176 1.00 0.00 C ATOM 846 CE2 PHE A 55 -6.916 -8.753 9.389 1.00 0.00 C ATOM 847 CZ PHE A 55 -7.074 -7.363 9.510 1.00 0.00 C ATOM 0 H PHE A 55 -1.401 -7.944 7.052 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.374 -7.914 9.665 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.185 -8.676 7.045 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.431 -10.098 8.040 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.976 -6.381 8.464 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.592 -10.355 8.819 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -6.125 -5.441 9.275 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.727 -9.413 9.658 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.010 -6.952 9.858 1.00 0.00 H new ATOM 857 N PRO A 56 -2.043 -10.165 10.870 1.00 0.00 N ATOM 858 CA PRO A 56 -2.901 -9.301 11.664 1.00 0.00 C ATOM 859 C PRO A 56 -2.152 -8.153 12.374 1.00 0.00 C ATOM 860 O PRO A 56 -2.720 -7.569 13.296 1.00 0.00 O ATOM 861 CB PRO A 56 -3.566 -10.256 12.657 1.00 0.00 C ATOM 862 CG PRO A 56 -2.444 -11.245 12.972 1.00 0.00 C ATOM 863 CD PRO A 56 -1.698 -11.356 11.639 1.00 0.00 C ATOM 0 HA PRO A 56 -3.616 -8.771 11.036 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -3.910 -9.736 13.551 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.434 -10.752 12.223 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.795 -10.879 13.768 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.835 -12.209 13.297 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -0.622 -11.415 11.801 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.990 -12.260 11.105 1.00 0.00 H new ATOM 871 N ASP A 57 -0.903 -7.806 12.027 1.00 0.00 N ATOM 872 CA ASP A 57 -0.411 -6.456 12.326 1.00 0.00 C ATOM 873 C ASP A 57 -1.246 -5.499 11.476 1.00 0.00 C ATOM 874 O ASP A 57 -1.232 -5.584 10.246 1.00 0.00 O ATOM 875 CB ASP A 57 1.082 -6.240 11.995 1.00 0.00 C ATOM 876 CG ASP A 57 1.672 -5.020 12.702 1.00 0.00 C ATOM 877 OD1 ASP A 57 0.911 -4.149 13.171 1.00 0.00 O ATOM 878 OD2 ASP A 57 2.923 -4.933 12.744 1.00 0.00 O ATOM 0 H ASP A 57 -0.237 -8.418 11.556 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.505 -6.287 13.399 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.646 -7.128 12.281 1.00 0.00 H new ATOM 0 HB3 ASP A 57 1.198 -6.122 10.918 1.00 0.00 H new ATOM 883 N LEU A 58 -2.026 -4.635 12.113 1.00 0.00 N ATOM 884 CA LEU A 58 -2.746 -3.555 11.460 1.00 0.00 C ATOM 885 C LEU A 58 -2.601 -2.270 12.269 1.00 0.00 C ATOM 886 O LEU A 58 -3.458 -1.390 12.193 1.00 0.00 O ATOM 887 CB LEU A 58 -4.205 -3.959 11.203 1.00 0.00 C ATOM 888 CG LEU A 58 -5.055 -4.198 12.471 1.00 0.00 C ATOM 889 CD1 LEU A 58 -6.280 -3.275 12.505 1.00 0.00 C ATOM 890 CD2 LEU A 58 -5.550 -5.646 12.526 1.00 0.00 C ATOM 0 H LEU A 58 -2.177 -4.669 13.121 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.312 -3.357 10.480 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.681 -3.180 10.607 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.213 -4.869 10.603 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.414 -3.986 13.326 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.856 -3.469 13.410 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.953 -2.235 12.499 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.903 -3.464 11.631 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.146 -5.793 13.427 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.161 -5.855 11.648 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.695 -6.322 12.543 1.00 0.00 H new ATOM 902 N ASN A 59 -1.548 -2.170 13.085 1.00 0.00 N ATOM 903 CA ASN A 59 -1.323 -1.018 13.950 1.00 0.00 C ATOM 904 C ASN A 59 -0.992 0.221 13.131 1.00 0.00 C ATOM 905 O ASN A 59 -1.438 1.311 13.474 1.00 0.00 O ATOM 906 CB ASN A 59 -0.170 -1.299 14.919 1.00 0.00 C ATOM 907 CG ASN A 59 -0.529 -2.390 15.909 1.00 0.00 C ATOM 908 OD1 ASN A 59 -1.266 -2.175 16.870 1.00 0.00 O ATOM 909 ND2 ASN A 59 -0.076 -3.601 15.662 1.00 0.00 N ATOM 0 H ASN A 59 -0.829 -2.889 13.161 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.240 -0.839 14.511 1.00 0.00 H new ATOM 0 HB2 ASN A 59 0.716 -1.594 14.356 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.084 -0.386 15.458 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.335 -4.377 16.271 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.534 -3.764 14.861 1.00 0.00 H new ATOM 916 N GLY A 60 -0.221 0.047 12.056 1.00 0.00 N ATOM 917 CA GLY A 60 0.457 1.138 11.381 1.00 0.00 C ATOM 918 C GLY A 60 -0.478 2.041 10.589 1.00 0.00 C ATOM 919 O GLY A 60 -1.667 1.748 10.417 1.00 0.00 O ATOM 0 H GLY A 60 -0.053 -0.865 11.632 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.987 1.738 12.121 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.208 0.726 10.707 1.00 0.00 H new ATOM 923 N ASP A 61 0.093 3.129 10.065 1.00 0.00 N ATOM 924 CA ASP A 61 -0.629 4.114 9.258 1.00 0.00 C ATOM 925 C ASP A 61 -1.181 3.474 7.982 1.00 0.00 C ATOM 926 O ASP A 61 -2.161 3.943 7.394 1.00 0.00 O ATOM 927 CB ASP A 61 0.288 5.283 8.872 1.00 0.00 C ATOM 928 CG ASP A 61 -0.514 6.406 8.210 1.00 0.00 C ATOM 929 OD1 ASP A 61 -1.578 6.775 8.755 1.00 0.00 O ATOM 930 OD2 ASP A 61 -0.136 6.859 7.105 1.00 0.00 O ATOM 0 H ASP A 61 1.080 3.352 10.191 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.456 4.487 9.863 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.792 5.664 9.760 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.064 4.933 8.191 1.00 0.00 H new ATOM 935 N VAL A 62 -0.555 2.382 7.550 1.00 0.00 N ATOM 936 CA VAL A 62 -0.934 1.604 6.393 1.00 0.00 C ATOM 937 C VAL A 62 -0.956 0.142 6.828 1.00 0.00 C ATOM 938 O VAL A 62 -0.153 -0.302 7.656 1.00 0.00 O ATOM 939 CB VAL A 62 0.056 1.891 5.244 1.00 0.00 C ATOM 940 CG1 VAL A 62 -0.361 1.215 3.927 1.00 0.00 C ATOM 941 CG2 VAL A 62 0.243 3.395 4.969 1.00 0.00 C ATOM 0 H VAL A 62 0.266 2.006 8.024 1.00 0.00 H new ATOM 0 HA VAL A 62 -1.922 1.864 6.013 1.00 0.00 H new ATOM 0 HB VAL A 62 1.001 1.472 5.591 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.368 1.448 3.151 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.405 0.135 4.070 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.342 1.582 3.625 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.950 3.530 4.151 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.715 3.837 4.697 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.627 3.884 5.865 1.00 0.00 H new ATOM 951 N VAL A 63 -1.873 -0.620 6.248 1.00 0.00 N ATOM 952 CA VAL A 63 -2.039 -2.038 6.516 1.00 0.00 C ATOM 953 C VAL A 63 -1.746 -2.778 5.197 1.00 0.00 C ATOM 954 O VAL A 63 -1.655 -2.165 4.133 1.00 0.00 O ATOM 955 CB VAL A 63 -3.448 -2.251 7.135 1.00 0.00 C ATOM 956 CG1 VAL A 63 -3.661 -3.693 7.617 1.00 0.00 C ATOM 957 CG2 VAL A 63 -3.726 -1.300 8.330 1.00 0.00 C ATOM 0 H VAL A 63 -2.536 -0.259 5.563 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.348 -2.449 7.252 1.00 0.00 H new ATOM 0 HB VAL A 63 -4.143 -2.027 6.326 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -4.660 -3.791 8.041 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.556 -4.377 6.775 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.919 -3.936 8.377 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.724 -1.492 8.724 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.988 -1.474 9.113 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.662 -0.265 7.994 1.00 0.00 H new ATOM 967 N ALA A 64 -1.552 -4.092 5.236 1.00 0.00 N ATOM 968 CA ALA A 64 -1.277 -4.944 4.090 1.00 0.00 C ATOM 969 C ALA A 64 -2.050 -6.241 4.277 1.00 0.00 C ATOM 970 O ALA A 64 -2.181 -6.740 5.398 1.00 0.00 O ATOM 971 CB ALA A 64 0.228 -5.185 3.957 1.00 0.00 C ATOM 0 H ALA A 64 -1.584 -4.615 6.111 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.599 -4.467 3.164 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.419 -5.824 3.095 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.739 -4.232 3.822 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.600 -5.671 4.859 1.00 0.00 H new ATOM 977 N ILE A 65 -2.576 -6.761 3.172 1.00 0.00 N ATOM 978 CA ILE A 65 -3.488 -7.887 3.104 1.00 0.00 C ATOM 979 C ILE A 65 -2.897 -8.859 2.081 1.00 0.00 C ATOM 980 O ILE A 65 -2.321 -8.449 1.069 1.00 0.00 O ATOM 981 CB ILE A 65 -4.910 -7.387 2.756 1.00 0.00 C ATOM 982 CG1 ILE A 65 -5.503 -6.511 3.889 1.00 0.00 C ATOM 983 CG2 ILE A 65 -5.882 -8.531 2.415 1.00 0.00 C ATOM 984 CD1 ILE A 65 -5.842 -7.257 5.192 1.00 0.00 C ATOM 0 H ILE A 65 -2.362 -6.382 2.249 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.596 -8.408 4.055 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.794 -6.776 1.861 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.794 -5.716 4.119 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.409 -6.032 3.518 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.863 -8.117 2.180 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.506 -9.084 1.554 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.967 -9.203 3.269 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.250 -6.554 5.918 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.579 -8.034 4.986 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.938 -7.713 5.596 1.00 0.00 H new ATOM 996 N ASP A 66 -2.977 -10.153 2.371 1.00 0.00 N ATOM 997 CA ASP A 66 -2.427 -11.199 1.538 1.00 0.00 C ATOM 998 C ASP A 66 -3.218 -11.343 0.234 1.00 0.00 C ATOM 999 O ASP A 66 -4.440 -11.177 0.181 1.00 0.00 O ATOM 1000 CB ASP A 66 -2.272 -12.495 2.343 1.00 0.00 C ATOM 1001 CG ASP A 66 -3.548 -13.181 2.839 1.00 0.00 C ATOM 1002 OD1 ASP A 66 -4.529 -12.516 3.248 1.00 0.00 O ATOM 1003 OD2 ASP A 66 -3.549 -14.429 2.926 1.00 0.00 O ATOM 0 H ASP A 66 -3.437 -10.504 3.211 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.420 -10.926 1.222 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.725 -13.209 1.727 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.649 -12.279 3.210 1.00 0.00 H new ATOM 1008 N TYR A 67 -2.481 -11.622 -0.844 1.00 0.00 N ATOM 1009 CA TYR A 67 -2.890 -11.441 -2.237 1.00 0.00 C ATOM 1010 C TYR A 67 -4.148 -12.230 -2.635 1.00 0.00 C ATOM 1011 O TYR A 67 -4.831 -11.843 -3.583 1.00 0.00 O ATOM 1012 CB TYR A 67 -1.681 -11.766 -3.142 1.00 0.00 C ATOM 1013 CG TYR A 67 -2.040 -12.355 -4.493 1.00 0.00 C ATOM 1014 CD1 TYR A 67 -2.185 -13.752 -4.608 1.00 0.00 C ATOM 1015 CD2 TYR A 67 -2.379 -11.515 -5.572 1.00 0.00 C ATOM 1016 CE1 TYR A 67 -2.739 -14.311 -5.770 1.00 0.00 C ATOM 1017 CE2 TYR A 67 -2.914 -12.071 -6.749 1.00 0.00 C ATOM 1018 CZ TYR A 67 -3.124 -13.468 -6.833 1.00 0.00 C ATOM 1019 OH TYR A 67 -3.743 -13.990 -7.924 1.00 0.00 O ATOM 0 H TYR A 67 -1.537 -11.999 -0.764 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.189 -10.401 -2.369 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.107 -10.853 -3.300 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.030 -12.465 -2.618 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.869 -14.394 -3.799 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.229 -10.448 -5.496 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.870 -15.380 -5.850 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.163 -11.434 -7.585 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.941 -13.273 -8.562 1.00 0.00 H new ATOM 1029 N ARG A 68 -4.514 -13.287 -1.906 1.00 0.00 N ATOM 1030 CA ARG A 68 -5.754 -14.037 -2.106 1.00 0.00 C ATOM 1031 C ARG A 68 -7.008 -13.157 -2.125 1.00 0.00 C ATOM 1032 O ARG A 68 -8.029 -13.582 -2.664 1.00 0.00 O ATOM 1033 CB ARG A 68 -5.865 -15.100 -1.005 1.00 0.00 C ATOM 1034 CG ARG A 68 -5.803 -14.490 0.405 1.00 0.00 C ATOM 1035 CD ARG A 68 -6.872 -14.970 1.387 1.00 0.00 C ATOM 1036 NE ARG A 68 -6.640 -14.267 2.649 1.00 0.00 N ATOM 1037 CZ ARG A 68 -7.111 -14.524 3.864 1.00 0.00 C ATOM 1038 NH1 ARG A 68 -8.182 -15.283 4.053 1.00 0.00 N ATOM 1039 NH2 ARG A 68 -6.458 -13.996 4.884 1.00 0.00 N ATOM 0 H ARG A 68 -3.943 -13.652 -1.144 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.703 -14.499 -3.092 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.802 -15.644 -1.122 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.059 -15.825 -1.120 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.823 -14.706 0.831 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.880 -13.406 0.315 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.870 -14.757 1.005 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.809 -16.049 1.529 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.023 -13.457 2.586 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.668 -15.688 3.253 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.520 -15.462 4.999 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.632 -13.421 4.718 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.780 -14.164 5.837 1.00 0.00 H new ATOM 1053 N HIS A 69 -6.976 -11.966 -1.526 1.00 0.00 N ATOM 1054 CA HIS A 69 -8.108 -11.050 -1.524 1.00 0.00 C ATOM 1055 C HIS A 69 -8.068 -10.047 -2.687 1.00 0.00 C ATOM 1056 O HIS A 69 -8.970 -9.215 -2.762 1.00 0.00 O ATOM 1057 CB HIS A 69 -8.242 -10.386 -0.145 1.00 0.00 C ATOM 1058 CG HIS A 69 -8.956 -11.210 0.899 1.00 0.00 C ATOM 1059 ND1 HIS A 69 -9.468 -12.485 0.755 1.00 0.00 N ATOM 1060 CD2 HIS A 69 -9.259 -10.776 2.161 1.00 0.00 C ATOM 1061 CE1 HIS A 69 -10.053 -12.817 1.919 1.00 0.00 C ATOM 1062 NE2 HIS A 69 -9.964 -11.800 2.795 1.00 0.00 N ATOM 0 H HIS A 69 -6.159 -11.612 -1.028 1.00 0.00 H new ATOM 0 HA HIS A 69 -9.015 -11.628 -1.700 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.245 -10.147 0.224 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -8.773 -9.441 -0.264 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -9.412 -13.067 -0.081 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.000 -9.818 2.587 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -10.527 -13.766 2.122 1.00 0.00 H new ATOM 1070 N TYR A 70 -7.092 -10.099 -3.607 1.00 0.00 N ATOM 1071 CA TYR A 70 -7.050 -9.206 -4.765 1.00 0.00 C ATOM 1072 C TYR A 70 -8.087 -9.616 -5.820 1.00 0.00 C ATOM 1073 O TYR A 70 -7.749 -10.023 -6.938 1.00 0.00 O ATOM 1074 CB TYR A 70 -5.638 -9.092 -5.367 1.00 0.00 C ATOM 1075 CG TYR A 70 -5.500 -8.125 -6.548 1.00 0.00 C ATOM 1076 CD1 TYR A 70 -6.486 -7.151 -6.836 1.00 0.00 C ATOM 1077 CD2 TYR A 70 -4.395 -8.251 -7.412 1.00 0.00 C ATOM 1078 CE1 TYR A 70 -6.349 -6.298 -7.943 1.00 0.00 C ATOM 1079 CE2 TYR A 70 -4.268 -7.428 -8.547 1.00 0.00 C ATOM 1080 CZ TYR A 70 -5.243 -6.439 -8.807 1.00 0.00 C ATOM 1081 OH TYR A 70 -5.150 -5.654 -9.913 1.00 0.00 O ATOM 0 H TYR A 70 -6.316 -10.759 -3.566 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.314 -8.210 -4.409 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -4.951 -8.778 -4.581 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.319 -10.082 -5.692 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -7.353 -7.063 -6.198 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -3.635 -8.989 -7.201 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -7.089 -5.535 -8.133 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -3.429 -7.552 -9.216 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.330 -5.874 -10.402 1.00 0.00 H new ATOM 1091 N SER A 71 -9.365 -9.422 -5.508 1.00 0.00 N ATOM 1092 CA SER A 71 -10.411 -9.431 -6.507 1.00 0.00 C ATOM 1093 C SER A 71 -10.303 -8.176 -7.371 1.00 0.00 C ATOM 1094 O SER A 71 -9.926 -7.106 -6.884 1.00 0.00 O ATOM 1095 CB SER A 71 -11.769 -9.475 -5.808 1.00 0.00 C ATOM 1096 OG SER A 71 -11.960 -10.660 -5.061 1.00 0.00 O ATOM 0 H SER A 71 -9.696 -9.255 -4.558 1.00 0.00 H new ATOM 0 HA SER A 71 -10.307 -10.308 -7.146 1.00 0.00 H new ATOM 0 HB2 SER A 71 -11.860 -8.614 -5.146 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.560 -9.389 -6.553 1.00 0.00 H new ATOM 0 HG SER A 71 -12.841 -10.638 -4.633 1.00 0.00 H new ATOM 1102 N ALA A 72 -10.715 -8.272 -8.638 1.00 0.00 N ATOM 1103 CA ALA A 72 -10.634 -7.157 -9.580 1.00 0.00 C ATOM 1104 C ALA A 72 -11.533 -5.972 -9.202 1.00 0.00 C ATOM 1105 O ALA A 72 -11.348 -4.884 -9.736 1.00 0.00 O ATOM 1106 CB ALA A 72 -10.950 -7.650 -10.989 1.00 0.00 C ATOM 0 H ALA A 72 -11.112 -9.123 -9.037 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.612 -6.779 -9.541 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -10.889 -6.816 -11.688 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -10.231 -8.418 -11.276 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -11.956 -8.069 -11.011 1.00 0.00 H new ATOM 1112 N SER A 73 -12.447 -6.124 -8.241 1.00 0.00 N ATOM 1113 CA SER A 73 -13.158 -5.012 -7.613 1.00 0.00 C ATOM 1114 C SER A 73 -12.186 -3.948 -7.093 1.00 0.00 C ATOM 1115 O SER A 73 -12.472 -2.749 -7.093 1.00 0.00 O ATOM 1116 CB SER A 73 -13.987 -5.556 -6.441 1.00 0.00 C ATOM 1117 OG SER A 73 -14.464 -6.867 -6.719 1.00 0.00 O ATOM 0 H SER A 73 -12.717 -7.036 -7.873 1.00 0.00 H new ATOM 0 HA SER A 73 -13.802 -4.546 -8.359 1.00 0.00 H new ATOM 0 HB2 SER A 73 -13.379 -5.571 -5.537 1.00 0.00 H new ATOM 0 HB3 SER A 73 -14.830 -4.892 -6.248 1.00 0.00 H new ATOM 0 HG SER A 73 -14.988 -7.193 -5.957 1.00 0.00 H new ATOM 1123 N PHE A 74 -11.008 -4.384 -6.654 1.00 0.00 N ATOM 1124 CA PHE A 74 -10.022 -3.556 -6.001 1.00 0.00 C ATOM 1125 C PHE A 74 -8.980 -3.016 -6.999 1.00 0.00 C ATOM 1126 O PHE A 74 -7.972 -2.446 -6.581 1.00 0.00 O ATOM 1127 CB PHE A 74 -9.424 -4.389 -4.863 1.00 0.00 C ATOM 1128 CG PHE A 74 -10.438 -5.019 -3.895 1.00 0.00 C ATOM 1129 CD1 PHE A 74 -11.471 -4.261 -3.287 1.00 0.00 C ATOM 1130 CD2 PHE A 74 -10.330 -6.388 -3.576 1.00 0.00 C ATOM 1131 CE1 PHE A 74 -12.356 -4.874 -2.370 1.00 0.00 C ATOM 1132 CE2 PHE A 74 -11.236 -6.996 -2.685 1.00 0.00 C ATOM 1133 CZ PHE A 74 -12.257 -6.243 -2.096 1.00 0.00 C ATOM 0 H PHE A 74 -10.713 -5.356 -6.750 1.00 0.00 H new ATOM 0 HA PHE A 74 -10.472 -2.656 -5.582 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.821 -5.186 -5.299 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.748 -3.755 -4.290 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.582 -3.213 -3.525 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.542 -6.978 -4.021 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -13.113 -4.282 -1.878 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -11.142 -8.047 -2.456 1.00 0.00 H new ATOM 0 HZ PHE A 74 -12.966 -6.716 -1.433 1.00 0.00 H new ATOM 1143 N LYS A 75 -9.166 -3.158 -8.326 1.00 0.00 N ATOM 1144 CA LYS A 75 -8.134 -2.802 -9.292 1.00 0.00 C ATOM 1145 C LYS A 75 -7.744 -1.328 -9.252 1.00 0.00 C ATOM 1146 O LYS A 75 -6.615 -1.019 -9.639 1.00 0.00 O ATOM 1147 CB LYS A 75 -8.557 -3.234 -10.705 1.00 0.00 C ATOM 1148 CG LYS A 75 -9.007 -2.102 -11.643 1.00 0.00 C ATOM 1149 CD LYS A 75 -9.288 -2.636 -13.046 1.00 0.00 C ATOM 1150 CE LYS A 75 -9.229 -1.471 -14.038 1.00 0.00 C ATOM 1151 NZ LYS A 75 -8.663 -1.903 -15.329 1.00 0.00 N ATOM 0 H LYS A 75 -10.025 -3.517 -8.743 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.234 -3.347 -9.007 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.721 -3.756 -11.171 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.372 -3.953 -10.616 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.904 -1.628 -11.244 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.235 -1.334 -11.690 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.555 -3.397 -13.314 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.268 -3.111 -13.080 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.230 -1.069 -14.192 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.623 -0.666 -13.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.634 -1.095 -15.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.699 -2.264 -15.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.256 -2.655 -15.734 1.00 0.00 H new ATOM 1165 N LYS A 76 -8.643 -0.436 -8.833 1.00 0.00 N ATOM 1166 CA LYS A 76 -8.407 1.002 -8.747 1.00 0.00 C ATOM 1167 C LYS A 76 -8.034 1.441 -7.321 1.00 0.00 C ATOM 1168 O LYS A 76 -7.989 2.639 -7.048 1.00 0.00 O ATOM 1169 CB LYS A 76 -9.632 1.759 -9.268 1.00 0.00 C ATOM 1170 CG LYS A 76 -9.911 1.457 -10.740 1.00 0.00 C ATOM 1171 CD LYS A 76 -10.751 2.575 -11.356 1.00 0.00 C ATOM 1172 CE LYS A 76 -11.300 2.072 -12.687 1.00 0.00 C ATOM 1173 NZ LYS A 76 -12.156 3.079 -13.347 1.00 0.00 N ATOM 0 H LYS A 76 -9.581 -0.704 -8.536 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.551 1.246 -9.376 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.504 1.491 -8.672 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.477 2.830 -9.141 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.971 1.356 -11.283 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.435 0.506 -10.831 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.566 2.852 -10.688 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.145 3.468 -11.507 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.472 1.812 -13.346 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.874 1.160 -12.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.509 2.698 -14.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.961 3.309 -12.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.602 3.940 -13.529 1.00 0.00 H new ATOM 1187 N GLY A 77 -7.788 0.497 -6.412 1.00 0.00 N ATOM 1188 CA GLY A 77 -7.424 0.733 -5.024 1.00 0.00 C ATOM 1189 C GLY A 77 -8.424 0.052 -4.097 1.00 0.00 C ATOM 1190 O GLY A 77 -9.556 -0.259 -4.501 1.00 0.00 O ATOM 0 H GLY A 77 -7.841 -0.496 -6.639 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.421 0.351 -4.833 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.401 1.804 -4.823 1.00 0.00 H new ATOM 1194 N ALA A 78 -8.030 -0.165 -2.843 1.00 0.00 N ATOM 1195 CA ALA A 78 -8.904 -0.632 -1.785 1.00 0.00 C ATOM 1196 C ALA A 78 -8.420 -0.145 -0.426 1.00 0.00 C ATOM 1197 O ALA A 78 -7.314 0.379 -0.277 1.00 0.00 O ATOM 1198 CB ALA A 78 -8.997 -2.158 -1.814 1.00 0.00 C ATOM 0 H ALA A 78 -7.069 -0.015 -2.534 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.899 -0.220 -1.951 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.656 -2.498 -1.015 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.397 -2.480 -2.776 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.005 -2.586 -1.672 1.00 0.00 H new ATOM 1204 N LYS A 79 -9.277 -0.313 0.569 1.00 0.00 N ATOM 1205 CA LYS A 79 -9.042 -0.013 1.963 1.00 0.00 C ATOM 1206 C LYS A 79 -9.730 -1.113 2.764 1.00 0.00 C ATOM 1207 O LYS A 79 -10.607 -1.822 2.272 1.00 0.00 O ATOM 1208 CB LYS A 79 -9.590 1.381 2.328 1.00 0.00 C ATOM 1209 CG LYS A 79 -11.020 1.611 1.808 1.00 0.00 C ATOM 1210 CD LYS A 79 -11.807 2.637 2.626 1.00 0.00 C ATOM 1211 CE LYS A 79 -13.294 2.262 2.638 1.00 0.00 C ATOM 1212 NZ LYS A 79 -13.734 1.874 4.000 1.00 0.00 N ATOM 0 H LYS A 79 -10.213 -0.686 0.409 1.00 0.00 H new ATOM 0 HA LYS A 79 -7.975 0.014 2.186 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.578 1.499 3.411 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.931 2.145 1.917 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.972 1.944 0.771 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.558 0.663 1.814 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.424 2.674 3.646 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.677 3.632 2.200 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.888 3.106 2.287 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.470 1.438 1.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.720 1.544 3.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.125 1.110 4.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.666 2.696 4.634 1.00 0.00 H new ATOM 1226 N LEU A 80 -9.309 -1.258 4.004 1.00 0.00 N ATOM 1227 CA LEU A 80 -9.962 -2.062 5.010 1.00 0.00 C ATOM 1228 C LEU A 80 -11.070 -1.164 5.596 1.00 0.00 C ATOM 1229 O LEU A 80 -11.523 -0.219 4.934 1.00 0.00 O ATOM 1230 CB LEU A 80 -8.859 -2.570 5.975 1.00 0.00 C ATOM 1231 CG LEU A 80 -8.995 -4.056 6.352 1.00 0.00 C ATOM 1232 CD1 LEU A 80 -7.786 -4.519 7.162 1.00 0.00 C ATOM 1233 CD2 LEU A 80 -10.266 -4.319 7.132 1.00 0.00 C ATOM 0 H LEU A 80 -8.467 -0.798 4.350 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.459 -2.970 4.668 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.885 -2.410 5.513 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.882 -1.971 6.885 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.042 -4.623 5.422 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.902 -5.572 7.419 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.880 -4.387 6.571 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.713 -3.929 8.076 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -10.328 -5.378 7.381 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.258 -3.731 8.050 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -11.128 -4.037 6.528 1.00 0.00 H new ATOM 1245 N LEU A 81 -11.508 -1.434 6.829 1.00 0.00 N ATOM 1246 CA LEU A 81 -12.606 -0.733 7.502 1.00 0.00 C ATOM 1247 C LEU A 81 -12.482 0.772 7.326 1.00 0.00 C ATOM 1248 O LEU A 81 -13.335 1.415 6.717 1.00 0.00 O ATOM 1249 CB LEU A 81 -12.667 -1.136 8.985 1.00 0.00 C ATOM 1250 CG LEU A 81 -14.089 -0.958 9.564 1.00 0.00 C ATOM 1251 CD1 LEU A 81 -14.419 -1.976 10.658 1.00 0.00 C ATOM 1252 CD2 LEU A 81 -14.283 0.441 10.156 1.00 0.00 C ATOM 0 H LEU A 81 -11.096 -2.169 7.404 1.00 0.00 H new ATOM 0 HA LEU A 81 -13.547 -1.030 7.039 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.357 -2.175 9.093 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.962 -0.532 9.556 1.00 0.00 H new ATOM 0 HG LEU A 81 -14.760 -1.113 8.719 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -15.430 -1.800 11.025 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -14.351 -2.984 10.249 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -13.711 -1.869 11.480 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -15.294 0.531 10.554 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -13.562 0.600 10.958 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -14.131 1.189 9.378 1.00 0.00 H new ATOM 1264 N HIS A 82 -11.369 1.320 7.809 1.00 0.00 N ATOM 1265 CA HIS A 82 -11.053 2.731 7.597 1.00 0.00 C ATOM 1266 C HIS A 82 -9.559 3.015 7.419 1.00 0.00 C ATOM 1267 O HIS A 82 -9.147 4.168 7.515 1.00 0.00 O ATOM 1268 CB HIS A 82 -11.706 3.583 8.695 1.00 0.00 C ATOM 1269 CG HIS A 82 -11.115 3.452 10.074 1.00 0.00 C ATOM 1270 ND1 HIS A 82 -10.674 4.504 10.839 1.00 0.00 N ATOM 1271 CD2 HIS A 82 -11.006 2.312 10.825 1.00 0.00 C ATOM 1272 CE1 HIS A 82 -10.303 4.011 12.029 1.00 0.00 C ATOM 1273 NE2 HIS A 82 -10.482 2.674 12.076 1.00 0.00 N ATOM 0 H HIS A 82 -10.671 0.809 8.350 1.00 0.00 H new ATOM 0 HA HIS A 82 -11.484 3.021 6.639 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -11.650 4.630 8.396 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -12.763 3.322 8.748 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -11.275 1.314 10.511 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -9.913 4.605 12.842 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -10.278 2.054 12.860 1.00 0.00 H new ATOM 1281 N LYS A 83 -8.729 1.995 7.166 1.00 0.00 N ATOM 1282 CA LYS A 83 -7.310 2.161 6.887 1.00 0.00 C ATOM 1283 C LYS A 83 -6.961 1.620 5.508 1.00 0.00 C ATOM 1284 O LYS A 83 -7.643 0.706 5.041 1.00 0.00 O ATOM 1285 CB LYS A 83 -6.507 1.458 7.983 1.00 0.00 C ATOM 1286 CG LYS A 83 -6.615 2.278 9.275 1.00 0.00 C ATOM 1287 CD LYS A 83 -5.303 2.281 10.055 1.00 0.00 C ATOM 1288 CE LYS A 83 -5.162 1.098 11.010 1.00 0.00 C ATOM 1289 NZ LYS A 83 -3.987 1.275 11.890 1.00 0.00 N ATOM 0 H LYS A 83 -9.035 1.022 7.151 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.058 3.222 6.885 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -6.888 0.449 8.143 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -5.464 1.361 7.683 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.896 3.303 9.033 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.409 1.869 9.900 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -4.471 2.271 9.351 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.229 3.208 10.624 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.064 1.002 11.614 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -5.060 0.174 10.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.756 0.370 12.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -3.175 1.595 11.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.203 1.985 12.618 1.00 0.00 H new ATOM 1303 N PRO A 84 -5.909 2.139 4.861 1.00 0.00 N ATOM 1304 CA PRO A 84 -5.516 1.700 3.531 1.00 0.00 C ATOM 1305 C PRO A 84 -4.887 0.310 3.600 1.00 0.00 C ATOM 1306 O PRO A 84 -4.352 -0.074 4.643 1.00 0.00 O ATOM 1307 CB PRO A 84 -4.516 2.746 3.048 1.00 0.00 C ATOM 1308 CG PRO A 84 -3.910 3.319 4.324 1.00 0.00 C ATOM 1309 CD PRO A 84 -4.993 3.142 5.386 1.00 0.00 C ATOM 0 HA PRO A 84 -6.362 1.618 2.849 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -3.752 2.299 2.412 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.007 3.521 2.460 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -2.997 2.792 4.599 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -3.646 4.369 4.199 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -4.562 2.819 6.333 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -5.511 4.082 5.576 1.00 0.00 H new ATOM 1317 N ILE A 85 -4.911 -0.420 2.480 1.00 0.00 N ATOM 1318 CA ILE A 85 -4.340 -1.762 2.385 1.00 0.00 C ATOM 1319 C ILE A 85 -3.452 -1.844 1.149 1.00 0.00 C ATOM 1320 O ILE A 85 -3.643 -1.093 0.186 1.00 0.00 O ATOM 1321 CB ILE A 85 -5.427 -2.865 2.412 1.00 0.00 C ATOM 1322 CG1 ILE A 85 -6.253 -2.925 1.104 1.00 0.00 C ATOM 1323 CG2 ILE A 85 -6.335 -2.686 3.611 1.00 0.00 C ATOM 1324 CD1 ILE A 85 -5.942 -4.185 0.291 1.00 0.00 C ATOM 0 H ILE A 85 -5.330 -0.092 1.610 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.724 -1.946 3.265 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.907 -3.819 2.497 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.316 -2.901 1.344 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.042 -2.042 0.501 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.093 -3.470 3.614 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.746 -2.748 4.526 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.821 -1.712 3.557 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.542 -4.188 -0.619 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.884 -4.196 0.028 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.178 -5.068 0.885 1.00 0.00 H new ATOM 1336 N VAL A 86 -2.556 -2.826 1.125 1.00 0.00 N ATOM 1337 CA VAL A 86 -1.734 -3.173 -0.028 1.00 0.00 C ATOM 1338 C VAL A 86 -1.663 -4.692 -0.145 1.00 0.00 C ATOM 1339 O VAL A 86 -1.745 -5.390 0.863 1.00 0.00 O ATOM 1340 CB VAL A 86 -0.329 -2.543 0.065 1.00 0.00 C ATOM 1341 CG1 VAL A 86 -0.398 -1.022 -0.058 1.00 0.00 C ATOM 1342 CG2 VAL A 86 0.447 -2.892 1.337 1.00 0.00 C ATOM 0 H VAL A 86 -2.377 -3.421 1.934 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.192 -2.766 -0.929 1.00 0.00 H new ATOM 0 HB VAL A 86 0.216 -2.979 -0.773 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.607 -0.605 0.011 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.836 -0.754 -1.019 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.014 -0.619 0.746 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.422 -2.405 1.314 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.110 -2.548 2.209 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.582 -3.972 1.396 1.00 0.00 H new ATOM 1352 N TRP A 87 -1.508 -5.207 -1.362 1.00 0.00 N ATOM 1353 CA TRP A 87 -1.329 -6.624 -1.623 1.00 0.00 C ATOM 1354 C TRP A 87 0.133 -6.970 -1.383 1.00 0.00 C ATOM 1355 O TRP A 87 1.001 -6.450 -2.093 1.00 0.00 O ATOM 1356 CB TRP A 87 -1.758 -6.928 -3.065 1.00 0.00 C ATOM 1357 CG TRP A 87 -3.109 -6.377 -3.391 1.00 0.00 C ATOM 1358 CD1 TRP A 87 -3.353 -5.309 -4.179 1.00 0.00 C ATOM 1359 CD2 TRP A 87 -4.387 -6.713 -2.782 1.00 0.00 C ATOM 1360 NE1 TRP A 87 -4.696 -5.000 -4.156 1.00 0.00 N ATOM 1361 CE2 TRP A 87 -5.379 -5.829 -3.297 1.00 0.00 C ATOM 1362 CE3 TRP A 87 -4.790 -7.630 -1.791 1.00 0.00 C ATOM 1363 CZ2 TRP A 87 -6.711 -5.875 -2.870 1.00 0.00 C ATOM 1364 CZ3 TRP A 87 -6.124 -7.675 -1.355 1.00 0.00 C ATOM 1365 CH2 TRP A 87 -7.089 -6.815 -1.903 1.00 0.00 C ATOM 0 H TRP A 87 -1.504 -4.636 -2.207 1.00 0.00 H new ATOM 0 HA TRP A 87 -1.945 -7.231 -0.959 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -1.024 -6.511 -3.754 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -1.763 -8.007 -3.219 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -2.605 -4.774 -4.745 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -5.126 -4.255 -4.704 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.065 -8.306 -1.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -7.440 -5.193 -3.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -6.411 -8.380 -0.589 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -8.118 -6.878 -1.580 1.00 0.00 H new ATOM 1376 N HIS A 88 0.410 -7.840 -0.411 1.00 0.00 N ATOM 1377 CA HIS A 88 1.754 -8.344 -0.166 1.00 0.00 C ATOM 1378 C HIS A 88 1.781 -9.855 -0.374 1.00 0.00 C ATOM 1379 O HIS A 88 0.816 -10.574 -0.088 1.00 0.00 O ATOM 1380 CB HIS A 88 2.262 -7.919 1.219 1.00 0.00 C ATOM 1381 CG HIS A 88 1.855 -8.829 2.347 1.00 0.00 C ATOM 1382 ND1 HIS A 88 2.718 -9.574 3.110 1.00 0.00 N ATOM 1383 CD2 HIS A 88 0.592 -9.035 2.834 1.00 0.00 C ATOM 1384 CE1 HIS A 88 1.998 -10.236 4.019 1.00 0.00 C ATOM 1385 NE2 HIS A 88 0.688 -9.958 3.883 1.00 0.00 N ATOM 0 H HIS A 88 -0.294 -8.213 0.226 1.00 0.00 H new ATOM 0 HA HIS A 88 2.445 -7.902 -0.884 1.00 0.00 H new ATOM 0 HB2 HIS A 88 3.350 -7.864 1.190 1.00 0.00 H new ATOM 0 HB3 HIS A 88 1.897 -6.914 1.432 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -0.314 -8.570 2.474 1.00 0.00 H new ATOM 0 HE1 HIS A 88 2.410 -10.903 4.762 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.080 -10.342 4.433 1.00 0.00 H new ATOM 1393 N ILE A 89 2.919 -10.334 -0.860 1.00 0.00 N ATOM 1394 CA ILE A 89 3.205 -11.726 -1.137 1.00 0.00 C ATOM 1395 C ILE A 89 4.551 -11.953 -0.488 1.00 0.00 C ATOM 1396 O ILE A 89 5.536 -11.449 -1.008 1.00 0.00 O ATOM 1397 CB ILE A 89 3.239 -11.967 -2.668 1.00 0.00 C ATOM 1398 CG1 ILE A 89 1.809 -11.897 -3.241 1.00 0.00 C ATOM 1399 CG2 ILE A 89 3.893 -13.311 -3.040 1.00 0.00 C ATOM 1400 CD1 ILE A 89 1.751 -11.983 -4.770 1.00 0.00 C ATOM 0 H ILE A 89 3.706 -9.725 -1.082 1.00 0.00 H new ATOM 0 HA ILE A 89 2.454 -12.415 -0.751 1.00 0.00 H new ATOM 0 HB ILE A 89 3.853 -11.181 -3.106 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.218 -12.709 -2.818 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.344 -10.964 -2.921 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.891 -13.429 -4.124 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.920 -13.329 -2.675 1.00 0.00 H new ATOM 0 HG23 ILE A 89 3.332 -14.127 -2.585 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.713 -11.927 -5.098 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.314 -11.156 -5.203 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.185 -12.928 -5.098 1.00 0.00 H new ATOM 1412 N ASN A 90 4.635 -12.700 0.619 1.00 0.00 N ATOM 1413 CA ASN A 90 5.919 -13.107 1.212 1.00 0.00 C ATOM 1414 C ASN A 90 6.670 -11.893 1.738 1.00 0.00 C ATOM 1415 O ASN A 90 7.901 -11.833 1.697 1.00 0.00 O ATOM 1416 CB ASN A 90 6.793 -13.924 0.234 1.00 0.00 C ATOM 1417 CG ASN A 90 6.207 -15.259 -0.139 1.00 0.00 C ATOM 1418 OD1 ASN A 90 4.957 -15.230 -0.533 1.00 0.00 O flip ATOM 1419 ND2 ASN A 90 6.844 -16.296 -0.018 1.00 0.00 N flip ATOM 0 H ASN A 90 3.820 -13.039 1.129 1.00 0.00 H new ATOM 0 HA ASN A 90 5.693 -13.768 2.048 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.948 -13.340 -0.673 1.00 0.00 H new ATOM 0 HB3 ASN A 90 7.773 -14.082 0.683 1.00 0.00 H new ATOM 0 HD21 ASN A 90 7.815 -16.265 0.292 1.00 0.00 H new ATOM 0 HD22 ASN A 90 6.404 -17.192 -0.227 1.00 0.00 H new ATOM 1426 N GLN A 91 5.910 -10.903 2.198 1.00 0.00 N ATOM 1427 CA GLN A 91 6.388 -9.592 2.592 1.00 0.00 C ATOM 1428 C GLN A 91 7.055 -8.893 1.405 1.00 0.00 C ATOM 1429 O GLN A 91 7.861 -7.994 1.612 1.00 0.00 O ATOM 1430 CB GLN A 91 7.276 -9.671 3.858 1.00 0.00 C ATOM 1431 CG GLN A 91 6.783 -10.573 5.009 1.00 0.00 C ATOM 1432 CD GLN A 91 5.296 -10.811 5.045 1.00 0.00 C ATOM 1433 OE1 GLN A 91 4.521 -9.908 5.263 1.00 0.00 O ATOM 1434 NE2 GLN A 91 4.874 -12.009 4.693 1.00 0.00 N ATOM 0 H GLN A 91 4.901 -11.003 2.309 1.00 0.00 H new ATOM 0 HA GLN A 91 5.540 -8.970 2.879 1.00 0.00 H new ATOM 0 HB2 GLN A 91 8.264 -10.018 3.556 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.398 -8.661 4.249 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.287 -11.536 4.936 1.00 0.00 H new ATOM 0 HG3 GLN A 91 7.086 -10.125 5.955 1.00 0.00 H new ATOM 0 HE21 GLN A 91 5.547 -12.755 4.514 1.00 0.00 H new ATOM 0 HE22 GLN A 91 3.875 -12.190 4.599 1.00 0.00 H new ATOM 1443 N ALA A 92 6.755 -9.298 0.163 1.00 0.00 N ATOM 1444 CA ALA A 92 7.289 -8.662 -1.032 1.00 0.00 C ATOM 1445 C ALA A 92 6.165 -8.054 -1.857 1.00 0.00 C ATOM 1446 O ALA A 92 4.999 -8.453 -1.771 1.00 0.00 O ATOM 1447 CB ALA A 92 8.112 -9.659 -1.858 1.00 0.00 C ATOM 0 H ALA A 92 6.131 -10.081 -0.033 1.00 0.00 H new ATOM 0 HA ALA A 92 7.957 -7.856 -0.728 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.501 -9.162 -2.746 1.00 0.00 H new ATOM 0 HB2 ALA A 92 8.942 -10.031 -1.258 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.478 -10.494 -2.158 1.00 0.00 H new ATOM 1453 N THR A 93 6.557 -7.100 -2.690 1.00 0.00 N ATOM 1454 CA THR A 93 5.823 -6.664 -3.857 1.00 0.00 C ATOM 1455 C THR A 93 6.484 -7.377 -5.043 1.00 0.00 C ATOM 1456 O THR A 93 7.649 -7.775 -4.983 1.00 0.00 O ATOM 1457 CB THR A 93 5.807 -5.123 -3.925 1.00 0.00 C ATOM 1458 OG1 THR A 93 5.310 -4.693 -5.178 1.00 0.00 O ATOM 1459 CG2 THR A 93 7.162 -4.456 -3.657 1.00 0.00 C ATOM 0 H THR A 93 7.432 -6.591 -2.561 1.00 0.00 H new ATOM 0 HA THR A 93 4.766 -6.929 -3.845 1.00 0.00 H new ATOM 0 HB THR A 93 5.149 -4.807 -3.116 1.00 0.00 H new ATOM 0 HG1 THR A 93 5.303 -3.713 -5.208 1.00 0.00 H new ATOM 0 HG21 THR A 93 7.055 -3.373 -3.726 1.00 0.00 H new ATOM 0 HG22 THR A 93 7.508 -4.724 -2.659 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.888 -4.796 -4.396 1.00 0.00 H new ATOM 1467 N THR A 94 5.726 -7.592 -6.108 1.00 0.00 N ATOM 1468 CA THR A 94 6.106 -8.341 -7.298 1.00 0.00 C ATOM 1469 C THR A 94 5.528 -7.577 -8.489 1.00 0.00 C ATOM 1470 O THR A 94 4.678 -6.711 -8.271 1.00 0.00 O ATOM 1471 CB THR A 94 5.533 -9.767 -7.196 1.00 0.00 C ATOM 1472 OG1 THR A 94 4.112 -9.764 -7.211 1.00 0.00 O ATOM 1473 CG2 THR A 94 5.984 -10.529 -5.941 1.00 0.00 C ATOM 0 H THR A 94 4.775 -7.228 -6.169 1.00 0.00 H new ATOM 0 HA THR A 94 7.186 -8.435 -7.409 1.00 0.00 H new ATOM 0 HB THR A 94 5.929 -10.279 -8.073 1.00 0.00 H new ATOM 0 HG1 THR A 94 3.780 -9.096 -6.575 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.540 -11.524 -5.940 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.070 -10.617 -5.939 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.662 -9.987 -5.051 1.00 0.00 H new ATOM 1481 N LYS A 95 5.884 -7.874 -9.744 1.00 0.00 N ATOM 1482 CA LYS A 95 5.300 -7.110 -10.860 1.00 0.00 C ATOM 1483 C LYS A 95 3.768 -7.218 -10.881 1.00 0.00 C ATOM 1484 O LYS A 95 3.092 -6.251 -11.232 1.00 0.00 O ATOM 1485 CB LYS A 95 5.914 -7.525 -12.202 1.00 0.00 C ATOM 1486 CG LYS A 95 7.381 -7.087 -12.350 1.00 0.00 C ATOM 1487 CD LYS A 95 7.493 -5.816 -13.195 1.00 0.00 C ATOM 1488 CE LYS A 95 8.968 -5.468 -13.442 1.00 0.00 C ATOM 1489 NZ LYS A 95 9.142 -4.258 -14.269 1.00 0.00 N ATOM 0 H LYS A 95 6.544 -8.605 -10.010 1.00 0.00 H new ATOM 0 HA LYS A 95 5.545 -6.060 -10.699 1.00 0.00 H new ATOM 0 HB2 LYS A 95 5.851 -8.608 -12.305 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.328 -7.093 -13.013 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.813 -6.912 -11.365 1.00 0.00 H new ATOM 0 HG3 LYS A 95 7.958 -7.887 -12.813 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.982 -5.958 -14.147 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.997 -4.989 -12.687 1.00 0.00 H new ATOM 0 HE2 LYS A 95 9.467 -5.322 -12.484 1.00 0.00 H new ATOM 0 HE3 LYS A 95 9.458 -6.310 -13.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 10.156 -4.072 -14.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 8.692 -4.403 -15.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 8.701 -3.446 -13.793 1.00 0.00 H new ATOM 1503 N THR A 96 3.206 -8.349 -10.453 1.00 0.00 N ATOM 1504 CA THR A 96 1.770 -8.546 -10.296 1.00 0.00 C ATOM 1505 C THR A 96 1.178 -7.583 -9.251 1.00 0.00 C ATOM 1506 O THR A 96 0.151 -6.958 -9.528 1.00 0.00 O ATOM 1507 CB THR A 96 1.531 -10.032 -9.965 1.00 0.00 C ATOM 1508 OG1 THR A 96 2.006 -10.789 -11.065 1.00 0.00 O ATOM 1509 CG2 THR A 96 0.055 -10.377 -9.754 1.00 0.00 C ATOM 0 H THR A 96 3.753 -9.172 -10.200 1.00 0.00 H new ATOM 0 HA THR A 96 1.246 -8.306 -11.221 1.00 0.00 H new ATOM 0 HB THR A 96 2.049 -10.256 -9.033 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.871 -11.743 -10.888 1.00 0.00 H new ATOM 0 HG21 THR A 96 -0.041 -11.438 -9.525 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.341 -9.789 -8.926 1.00 0.00 H new ATOM 0 HG23 THR A 96 -0.505 -10.149 -10.661 1.00 0.00 H new ATOM 1517 N THR A 97 1.799 -7.447 -8.074 1.00 0.00 N ATOM 1518 CA THR A 97 1.267 -6.668 -6.953 1.00 0.00 C ATOM 1519 C THR A 97 1.776 -5.217 -6.949 1.00 0.00 C ATOM 1520 O THR A 97 1.285 -4.414 -6.164 1.00 0.00 O ATOM 1521 CB THR A 97 1.549 -7.402 -5.622 1.00 0.00 C ATOM 1522 OG1 THR A 97 2.892 -7.837 -5.510 1.00 0.00 O ATOM 1523 CG2 THR A 97 0.704 -8.672 -5.468 1.00 0.00 C ATOM 0 H THR A 97 2.699 -7.882 -7.872 1.00 0.00 H new ATOM 0 HA THR A 97 0.187 -6.590 -7.074 1.00 0.00 H new ATOM 0 HB THR A 97 1.308 -6.662 -4.859 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.018 -8.293 -4.652 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.938 -9.152 -4.518 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.354 -8.410 -5.491 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.926 -9.358 -6.285 1.00 0.00 H new ATOM 1531 N PHE A 98 2.681 -4.848 -7.858 1.00 0.00 N ATOM 1532 CA PHE A 98 3.208 -3.501 -8.072 1.00 0.00 C ATOM 1533 C PHE A 98 2.095 -2.616 -8.611 1.00 0.00 C ATOM 1534 O PHE A 98 1.762 -1.590 -8.027 1.00 0.00 O ATOM 1535 CB PHE A 98 4.412 -3.559 -9.037 1.00 0.00 C ATOM 1536 CG PHE A 98 4.484 -2.533 -10.157 1.00 0.00 C ATOM 1537 CD1 PHE A 98 4.512 -1.160 -9.860 1.00 0.00 C ATOM 1538 CD2 PHE A 98 4.545 -2.951 -11.500 1.00 0.00 C ATOM 1539 CE1 PHE A 98 4.630 -0.211 -10.886 1.00 0.00 C ATOM 1540 CE2 PHE A 98 4.659 -2.000 -12.530 1.00 0.00 C ATOM 1541 CZ PHE A 98 4.712 -0.629 -12.224 1.00 0.00 C ATOM 0 H PHE A 98 3.090 -5.524 -8.503 1.00 0.00 H new ATOM 0 HA PHE A 98 3.561 -3.076 -7.132 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.321 -3.467 -8.442 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.427 -4.550 -9.491 1.00 0.00 H new ATOM 0 HD1 PHE A 98 4.442 -0.833 -8.833 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.504 -4.003 -11.740 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.658 0.842 -10.647 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.706 -2.324 -13.559 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.815 0.100 -13.015 1.00 0.00 H new ATOM 1551 N LYS A 99 1.502 -3.024 -9.730 1.00 0.00 N ATOM 1552 CA LYS A 99 0.513 -2.253 -10.469 1.00 0.00 C ATOM 1553 C LYS A 99 -0.670 -1.836 -9.584 1.00 0.00 C ATOM 1554 O LYS A 99 -1.080 -0.676 -9.700 1.00 0.00 O ATOM 1555 CB LYS A 99 0.105 -3.062 -11.702 1.00 0.00 C ATOM 1556 CG LYS A 99 1.153 -2.832 -12.816 1.00 0.00 C ATOM 1557 CD LYS A 99 0.672 -2.162 -14.107 1.00 0.00 C ATOM 1558 CE LYS A 99 0.506 -3.148 -15.267 1.00 0.00 C ATOM 1559 NZ LYS A 99 -0.832 -3.755 -15.353 1.00 0.00 N ATOM 0 H LYS A 99 1.704 -3.927 -10.158 1.00 0.00 H new ATOM 0 HA LYS A 99 0.943 -1.309 -10.803 1.00 0.00 H new ATOM 0 HB2 LYS A 99 0.043 -4.122 -11.455 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.884 -2.756 -12.044 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.958 -2.226 -12.401 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.584 -3.798 -13.078 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.281 -1.666 -13.920 1.00 0.00 H new ATOM 0 HD3 LYS A 99 1.383 -1.388 -14.395 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.719 -2.631 -16.203 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.247 -3.941 -15.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -0.865 -4.409 -16.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -1.033 -4.277 -14.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -1.544 -3.008 -15.482 1.00 0.00 H new ATOM 1573 N PRO A 100 -1.259 -2.698 -8.730 1.00 0.00 N ATOM 1574 CA PRO A 100 -2.279 -2.246 -7.789 1.00 0.00 C ATOM 1575 C PRO A 100 -1.676 -1.442 -6.625 1.00 0.00 C ATOM 1576 O PRO A 100 -2.321 -0.529 -6.110 1.00 0.00 O ATOM 1577 CB PRO A 100 -2.974 -3.526 -7.320 1.00 0.00 C ATOM 1578 CG PRO A 100 -1.872 -4.575 -7.384 1.00 0.00 C ATOM 1579 CD PRO A 100 -1.081 -4.145 -8.619 1.00 0.00 C ATOM 0 HA PRO A 100 -2.984 -1.556 -8.253 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.369 -3.421 -6.310 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -3.813 -3.786 -7.965 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.255 -4.572 -6.485 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.275 -5.582 -7.490 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.027 -4.401 -8.515 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.446 -4.652 -9.512 1.00 0.00 H new ATOM 1587 N ASN A 101 -0.419 -1.695 -6.236 1.00 0.00 N ATOM 1588 CA ASN A 101 0.237 -0.925 -5.177 1.00 0.00 C ATOM 1589 C ASN A 101 0.358 0.548 -5.553 1.00 0.00 C ATOM 1590 O ASN A 101 0.368 1.401 -4.666 1.00 0.00 O ATOM 1591 CB ASN A 101 1.639 -1.478 -4.864 1.00 0.00 C ATOM 1592 CG ASN A 101 1.701 -2.164 -3.516 1.00 0.00 C ATOM 1593 OD1 ASN A 101 1.720 -1.502 -2.492 1.00 0.00 O ATOM 1594 ND2 ASN A 101 1.657 -3.483 -3.479 1.00 0.00 N ATOM 0 H ASN A 101 0.162 -2.429 -6.641 1.00 0.00 H new ATOM 0 HA ASN A 101 -0.390 -1.019 -4.290 1.00 0.00 H new ATOM 0 HB2 ASN A 101 1.930 -2.184 -5.642 1.00 0.00 H new ATOM 0 HB3 ASN A 101 2.362 -0.662 -4.887 1.00 0.00 H new ATOM 0 HD21 ASN A 101 1.638 -3.968 -2.582 1.00 0.00 H new ATOM 0 HD22 ASN A 101 1.642 -4.017 -4.348 1.00 0.00 H new ATOM 1601 N THR A 102 0.442 0.860 -6.848 1.00 0.00 N ATOM 1602 CA THR A 102 0.553 2.235 -7.304 1.00 0.00 C ATOM 1603 C THR A 102 -0.664 3.072 -6.883 1.00 0.00 C ATOM 1604 O THR A 102 -0.513 4.223 -6.474 1.00 0.00 O ATOM 1605 CB THR A 102 0.808 2.306 -8.813 1.00 0.00 C ATOM 1606 OG1 THR A 102 -0.376 2.146 -9.574 1.00 0.00 O ATOM 1607 CG2 THR A 102 1.784 1.289 -9.385 1.00 0.00 C ATOM 0 H THR A 102 0.435 0.170 -7.599 1.00 0.00 H new ATOM 0 HA THR A 102 1.422 2.674 -6.813 1.00 0.00 H new ATOM 0 HB THR A 102 1.242 3.302 -8.899 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.602 1.194 -9.630 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.880 1.441 -10.460 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.758 1.414 -8.912 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.414 0.282 -9.193 1.00 0.00 H new ATOM 1615 N TRP A 103 -1.866 2.491 -6.947 1.00 0.00 N ATOM 1616 CA TRP A 103 -3.122 3.146 -6.615 1.00 0.00 C ATOM 1617 C TRP A 103 -3.188 3.443 -5.118 1.00 0.00 C ATOM 1618 O TRP A 103 -3.730 4.483 -4.743 1.00 0.00 O ATOM 1619 CB TRP A 103 -4.298 2.263 -7.058 1.00 0.00 C ATOM 1620 CG TRP A 103 -4.560 2.192 -8.537 1.00 0.00 C ATOM 1621 CD1 TRP A 103 -4.031 1.284 -9.385 1.00 0.00 C ATOM 1622 CD2 TRP A 103 -5.471 2.999 -9.349 1.00 0.00 C ATOM 1623 NE1 TRP A 103 -4.553 1.467 -10.651 1.00 0.00 N ATOM 1624 CE2 TRP A 103 -5.498 2.469 -10.672 1.00 0.00 C ATOM 1625 CE3 TRP A 103 -6.322 4.092 -9.090 1.00 0.00 C ATOM 1626 CZ2 TRP A 103 -6.370 2.956 -11.661 1.00 0.00 C ATOM 1627 CZ3 TRP A 103 -7.197 4.598 -10.069 1.00 0.00 C ATOM 1628 CH2 TRP A 103 -7.239 4.015 -11.347 1.00 0.00 C ATOM 0 H TRP A 103 -1.989 1.522 -7.241 1.00 0.00 H new ATOM 0 HA TRP A 103 -3.184 4.096 -7.145 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -4.122 1.251 -6.693 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -5.201 2.626 -6.568 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -3.308 0.528 -9.114 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -4.273 0.927 -11.470 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -6.302 4.554 -8.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -6.372 2.522 -12.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -7.838 5.436 -9.838 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -7.937 4.380 -12.086 1.00 0.00 H new ATOM 1639 N CYS A 104 -2.607 2.589 -4.264 1.00 0.00 N ATOM 1640 CA CYS A 104 -2.450 2.900 -2.845 1.00 0.00 C ATOM 1641 C CYS A 104 -1.595 4.156 -2.690 1.00 0.00 C ATOM 1642 O CYS A 104 -1.965 5.065 -1.950 1.00 0.00 O ATOM 1643 CB CYS A 104 -1.852 1.704 -2.083 1.00 0.00 C ATOM 1644 SG CYS A 104 -1.557 2.139 -0.341 1.00 0.00 S ATOM 0 H CYS A 104 -2.239 1.677 -4.536 1.00 0.00 H new ATOM 0 HA CYS A 104 -3.430 3.095 -2.409 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -2.530 0.853 -2.141 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -0.916 1.399 -2.551 1.00 0.00 H new ATOM 0 HG CYS A 104 -0.344 1.809 -0.011 1.00 0.00 H new ATOM 1650 N LEU A 105 -0.487 4.259 -3.429 1.00 0.00 N ATOM 1651 CA LEU A 105 0.399 5.412 -3.295 1.00 0.00 C ATOM 1652 C LEU A 105 -0.353 6.675 -3.719 1.00 0.00 C ATOM 1653 O LEU A 105 -0.233 7.693 -3.047 1.00 0.00 O ATOM 1654 CB LEU A 105 1.711 5.185 -4.068 1.00 0.00 C ATOM 1655 CG LEU A 105 2.487 3.963 -3.538 1.00 0.00 C ATOM 1656 CD1 LEU A 105 3.388 3.396 -4.629 1.00 0.00 C ATOM 1657 CD2 LEU A 105 3.258 4.231 -2.242 1.00 0.00 C ATOM 0 H LEU A 105 -0.187 3.567 -4.116 1.00 0.00 H new ATOM 0 HA LEU A 105 0.693 5.545 -2.254 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.489 5.043 -5.126 1.00 0.00 H new ATOM 0 HB3 LEU A 105 2.337 6.074 -3.990 1.00 0.00 H new ATOM 0 HG LEU A 105 1.743 3.213 -3.269 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.930 2.534 -4.241 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.780 3.090 -5.480 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.099 4.159 -4.947 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.777 3.324 -1.933 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.985 5.026 -2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.561 4.534 -1.460 1.00 0.00 H new ATOM 1669 N ARG A 106 -1.223 6.595 -4.740 1.00 0.00 N ATOM 1670 CA ARG A 106 -2.072 7.730 -5.122 1.00 0.00 C ATOM 1671 C ARG A 106 -3.076 8.137 -4.041 1.00 0.00 C ATOM 1672 O ARG A 106 -3.578 9.256 -4.091 1.00 0.00 O ATOM 1673 CB ARG A 106 -2.836 7.476 -6.429 1.00 0.00 C ATOM 1674 CG ARG A 106 -1.952 7.170 -7.637 1.00 0.00 C ATOM 1675 CD ARG A 106 -2.772 7.186 -8.932 1.00 0.00 C ATOM 1676 NE ARG A 106 -2.637 8.438 -9.696 1.00 0.00 N ATOM 1677 CZ ARG A 106 -2.548 8.543 -11.029 1.00 0.00 C ATOM 1678 NH1 ARG A 106 -2.544 7.451 -11.788 1.00 0.00 N ATOM 1679 NH2 ARG A 106 -2.473 9.733 -11.614 1.00 0.00 N ATOM 0 H ARG A 106 -1.355 5.760 -5.311 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.369 8.551 -5.263 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -3.521 6.642 -6.277 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.445 8.352 -6.654 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.149 7.905 -7.701 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.482 6.195 -7.511 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.461 6.351 -9.560 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -3.823 7.029 -8.689 1.00 0.00 H new ATOM 0 HE ARG A 106 -2.609 9.306 -9.161 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.609 6.529 -11.356 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.476 7.535 -12.802 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -2.483 10.581 -11.048 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -2.406 9.799 -12.630 1.00 0.00 H new ATOM 1693 N CYS A 107 -3.421 7.255 -3.103 1.00 0.00 N ATOM 1694 CA CYS A 107 -4.248 7.609 -1.959 1.00 0.00 C ATOM 1695 C CYS A 107 -3.398 8.238 -0.850 1.00 0.00 C ATOM 1696 O CYS A 107 -3.900 9.119 -0.150 1.00 0.00 O ATOM 1697 CB CYS A 107 -5.002 6.365 -1.466 1.00 0.00 C ATOM 1698 SG CYS A 107 -6.545 6.162 -2.395 1.00 0.00 S ATOM 0 H CYS A 107 -3.133 6.277 -3.119 1.00 0.00 H new ATOM 0 HA CYS A 107 -4.983 8.356 -2.260 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -4.377 5.480 -1.586 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -5.219 6.460 -0.402 1.00 0.00 H new ATOM 0 HG CYS A 107 -7.172 5.105 -1.970 1.00 0.00 H new ATOM 1704 N LEU A 108 -2.138 7.823 -0.674 1.00 0.00 N ATOM 1705 CA LEU A 108 -1.216 8.447 0.277 1.00 0.00 C ATOM 1706 C LEU A 108 -0.816 9.856 -0.175 1.00 0.00 C ATOM 1707 O LEU A 108 -0.580 10.690 0.698 1.00 0.00 O ATOM 1708 CB LEU A 108 0.018 7.569 0.523 1.00 0.00 C ATOM 1709 CG LEU A 108 -0.282 6.196 1.152 1.00 0.00 C ATOM 1710 CD1 LEU A 108 1.015 5.399 1.300 1.00 0.00 C ATOM 1711 CD2 LEU A 108 -0.951 6.302 2.527 1.00 0.00 C ATOM 0 H LEU A 108 -1.730 7.043 -1.189 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.743 8.543 1.226 1.00 0.00 H new ATOM 0 HB2 LEU A 108 0.531 7.414 -0.426 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.707 8.108 1.173 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.977 5.692 0.481 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.797 4.428 1.746 1.00 0.00 H new ATOM 0 HD12 LEU A 108 1.467 5.254 0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.707 5.945 1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -1.137 5.302 2.919 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.296 6.843 3.210 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.896 6.836 2.431 1.00 0.00 H new ATOM 1723 N TRP A 109 -0.814 10.160 -1.481 1.00 0.00 N ATOM 1724 CA TRP A 109 -0.610 11.495 -2.036 1.00 0.00 C ATOM 1725 C TRP A 109 -1.561 12.518 -1.383 1.00 0.00 C ATOM 1726 O TRP A 109 -2.731 12.217 -1.126 1.00 0.00 O ATOM 1727 CB TRP A 109 -0.849 11.453 -3.554 1.00 0.00 C ATOM 1728 CG TRP A 109 0.079 10.721 -4.471 1.00 0.00 C ATOM 1729 CD1 TRP A 109 1.201 10.039 -4.154 1.00 0.00 C ATOM 1730 CD2 TRP A 109 -0.086 10.563 -5.909 1.00 0.00 C ATOM 1731 NE1 TRP A 109 1.756 9.502 -5.300 1.00 0.00 N ATOM 1732 CE2 TRP A 109 1.007 9.804 -6.417 1.00 0.00 C ATOM 1733 CE3 TRP A 109 -1.089 10.945 -6.825 1.00 0.00 C ATOM 1734 CZ2 TRP A 109 1.129 9.495 -7.780 1.00 0.00 C ATOM 1735 CZ3 TRP A 109 -0.964 10.666 -8.193 1.00 0.00 C ATOM 1736 CH2 TRP A 109 0.143 9.946 -8.674 1.00 0.00 C ATOM 0 H TRP A 109 -0.960 9.453 -2.202 1.00 0.00 H new ATOM 0 HA TRP A 109 0.414 11.807 -1.830 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -1.843 11.032 -3.707 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -0.884 12.487 -3.898 1.00 0.00 H new ATOM 0 HD1 TRP A 109 1.603 9.930 -3.157 1.00 0.00 H new ATOM 0 HE1 TRP A 109 2.614 8.950 -5.317 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -1.967 11.461 -6.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 1.969 8.918 -8.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -1.723 11.006 -8.882 1.00 0.00 H new ATOM 0 HH2 TRP A 109 0.236 9.739 -9.730 1.00 0.00 H new ATOM 1747 N SER A 110 -1.086 13.746 -1.167 1.00 0.00 N ATOM 1748 CA SER A 110 -1.753 14.804 -0.410 1.00 0.00 C ATOM 1749 C SER A 110 -1.714 16.142 -1.156 1.00 0.00 C ATOM 1750 O SER A 110 -1.446 17.194 -0.576 1.00 0.00 O ATOM 1751 CB SER A 110 -1.131 14.886 0.988 1.00 0.00 C ATOM 1752 OG SER A 110 -1.350 13.687 1.723 1.00 0.00 O ATOM 0 H SER A 110 -0.182 14.043 -1.534 1.00 0.00 H new ATOM 0 HA SER A 110 -2.810 14.562 -0.300 1.00 0.00 H new ATOM 0 HB2 SER A 110 -0.060 15.072 0.902 1.00 0.00 H new ATOM 0 HB3 SER A 110 -1.558 15.730 1.529 1.00 0.00 H new ATOM 0 HG SER A 110 -1.709 13.907 2.608 1.00 0.00 H new ATOM 1758 N THR A 111 -2.038 16.086 -2.451 1.00 0.00 N ATOM 1759 CA THR A 111 -2.103 17.243 -3.342 1.00 0.00 C ATOM 1760 C THR A 111 -0.754 17.985 -3.318 1.00 0.00 C ATOM 1761 O THR A 111 0.283 17.337 -3.166 1.00 0.00 O ATOM 1762 CB THR A 111 -3.437 18.021 -3.130 1.00 0.00 C ATOM 1763 OG1 THR A 111 -3.416 18.875 -2.010 1.00 0.00 O ATOM 1764 CG2 THR A 111 -4.668 17.116 -2.935 1.00 0.00 C ATOM 0 H THR A 111 -2.268 15.210 -2.919 1.00 0.00 H new ATOM 0 HA THR A 111 -2.193 16.981 -4.396 1.00 0.00 H new ATOM 0 HB THR A 111 -3.521 18.588 -4.057 1.00 0.00 H new ATOM 0 HG1 THR A 111 -2.740 18.563 -1.373 1.00 0.00 H new ATOM 0 HG21 THR A 111 -5.555 17.734 -2.794 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.800 16.487 -3.815 1.00 0.00 H new ATOM 0 HG23 THR A 111 -4.521 16.486 -2.058 1.00 0.00 H new ATOM 1772 N LYS A 112 -0.765 19.297 -3.554 1.00 0.00 N ATOM 1773 CA LYS A 112 0.340 20.239 -3.585 1.00 0.00 C ATOM 1774 C LYS A 112 1.472 19.936 -4.587 1.00 0.00 C ATOM 1775 O LYS A 112 2.094 18.876 -4.541 1.00 0.00 O ATOM 1776 CB LYS A 112 0.872 20.459 -2.173 1.00 0.00 C ATOM 1777 CG LYS A 112 2.047 21.441 -2.219 1.00 0.00 C ATOM 1778 CD LYS A 112 2.309 22.101 -0.888 1.00 0.00 C ATOM 1779 CE LYS A 112 2.810 21.047 0.112 1.00 0.00 C ATOM 1780 NZ LYS A 112 3.886 21.536 0.996 1.00 0.00 N ATOM 0 H LYS A 112 -1.647 19.771 -3.748 1.00 0.00 H new ATOM 0 HA LYS A 112 -0.085 21.163 -3.977 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.082 20.850 -1.532 1.00 0.00 H new ATOM 0 HB3 LYS A 112 1.193 19.511 -1.742 1.00 0.00 H new ATOM 0 HG2 LYS A 112 2.944 20.912 -2.540 1.00 0.00 H new ATOM 0 HG3 LYS A 112 1.845 22.208 -2.966 1.00 0.00 H new ATOM 0 HD2 LYS A 112 3.050 22.893 -1.001 1.00 0.00 H new ATOM 0 HD3 LYS A 112 1.398 22.568 -0.515 1.00 0.00 H new ATOM 0 HE2 LYS A 112 1.973 20.712 0.724 1.00 0.00 H new ATOM 0 HE3 LYS A 112 3.170 20.178 -0.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 4.176 20.776 1.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 4.701 21.830 0.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 3.540 22.347 1.547 1.00 0.00 H new ATOM 1794 N PRO A 113 1.824 20.910 -5.441 1.00 0.00 N ATOM 1795 CA PRO A 113 3.047 20.878 -6.229 1.00 0.00 C ATOM 1796 C PRO A 113 4.279 21.207 -5.374 1.00 0.00 C ATOM 1797 O PRO A 113 4.200 22.004 -4.438 1.00 0.00 O ATOM 1798 CB PRO A 113 2.836 21.944 -7.297 1.00 0.00 C ATOM 1799 CG PRO A 113 2.010 22.989 -6.549 1.00 0.00 C ATOM 1800 CD PRO A 113 1.095 22.141 -5.693 1.00 0.00 C ATOM 0 HA PRO A 113 3.233 19.889 -6.649 1.00 0.00 H new ATOM 0 HB2 PRO A 113 3.780 22.353 -7.657 1.00 0.00 H new ATOM 0 HB3 PRO A 113 2.307 21.552 -8.165 1.00 0.00 H new ATOM 0 HG2 PRO A 113 2.638 23.644 -5.945 1.00 0.00 H new ATOM 0 HG3 PRO A 113 1.449 23.626 -7.232 1.00 0.00 H new ATOM 0 HD2 PRO A 113 0.849 22.649 -4.760 1.00 0.00 H new ATOM 0 HD3 PRO A 113 0.154 21.941 -6.205 1.00 0.00 H new ATOM 1808 N VAL A 114 5.425 20.706 -5.834 1.00 0.00 N ATOM 1809 CA VAL A 114 6.630 20.281 -5.148 1.00 0.00 C ATOM 1810 C VAL A 114 6.334 18.845 -4.760 1.00 0.00 C ATOM 1811 O VAL A 114 5.708 18.550 -3.737 1.00 0.00 O ATOM 1812 CB VAL A 114 7.058 21.152 -3.967 1.00 0.00 C ATOM 1813 CG1 VAL A 114 8.291 20.585 -3.244 1.00 0.00 C ATOM 1814 CG2 VAL A 114 7.452 22.545 -4.454 1.00 0.00 C ATOM 0 H VAL A 114 5.536 20.574 -6.839 1.00 0.00 H new ATOM 0 HA VAL A 114 7.501 20.379 -5.796 1.00 0.00 H new ATOM 0 HB VAL A 114 6.206 21.181 -3.288 1.00 0.00 H new ATOM 0 HG11 VAL A 114 8.557 21.238 -2.413 1.00 0.00 H new ATOM 0 HG12 VAL A 114 8.064 19.589 -2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 114 9.127 20.526 -3.941 1.00 0.00 H new ATOM 0 HG21 VAL A 114 7.755 23.156 -3.603 1.00 0.00 H new ATOM 0 HG22 VAL A 114 8.282 22.464 -5.156 1.00 0.00 H new ATOM 0 HG23 VAL A 114 6.601 23.011 -4.951 1.00 0.00 H new ATOM 1824 N ASP A 115 6.760 17.967 -5.654 1.00 0.00 N ATOM 1825 CA ASP A 115 7.158 16.624 -5.281 1.00 0.00 C ATOM 1826 C ASP A 115 8.688 16.598 -5.227 1.00 0.00 C ATOM 1827 O ASP A 115 9.269 16.571 -4.138 1.00 0.00 O ATOM 1828 CB ASP A 115 6.570 15.594 -6.258 1.00 0.00 C ATOM 1829 CG ASP A 115 7.074 14.179 -5.981 1.00 0.00 C ATOM 1830 OD1 ASP A 115 7.548 13.897 -4.863 1.00 0.00 O ATOM 1831 OD2 ASP A 115 7.018 13.338 -6.911 1.00 0.00 O ATOM 0 H ASP A 115 6.838 18.166 -6.651 1.00 0.00 H new ATOM 0 HA ASP A 115 6.767 16.351 -4.301 1.00 0.00 H new ATOM 0 HB2 ASP A 115 5.482 15.610 -6.188 1.00 0.00 H new ATOM 0 HB3 ASP A 115 6.828 15.876 -7.279 1.00 0.00 H new ATOM 1836 N THR A 116 9.322 16.674 -6.400 1.00 0.00 N ATOM 1837 CA THR A 116 10.764 16.586 -6.602 1.00 0.00 C ATOM 1838 C THR A 116 11.491 17.756 -5.933 1.00 0.00 C ATOM 1839 O THR A 116 10.902 18.851 -5.782 1.00 0.00 O ATOM 1840 CB THR A 116 11.032 16.515 -8.116 1.00 0.00 C ATOM 1841 OG1 THR A 116 10.234 15.502 -8.724 1.00 0.00 O ATOM 1842 CG2 THR A 116 12.501 16.259 -8.470 1.00 0.00 C ATOM 0 H THR A 116 8.815 16.805 -7.276 1.00 0.00 H new ATOM 0 HA THR A 116 11.157 15.686 -6.130 1.00 0.00 H new ATOM 0 HB THR A 116 10.766 17.499 -8.502 1.00 0.00 H new ATOM 0 HG1 THR A 116 10.418 15.474 -9.686 1.00 0.00 H new ATOM 0 HG21 THR A 116 12.613 16.222 -9.554 1.00 0.00 H new ATOM 0 HG22 THR A 116 13.117 17.064 -8.069 1.00 0.00 H new ATOM 0 HG23 THR A 116 12.819 15.309 -8.040 1.00 0.00 H new TER 1850 THR A 116