USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 869 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 119 GLN : amide:sc= -0.267 X(o=0.17,f=0.39) USER MOD Set 1.2: A 123 THR OG1 : rot 58:sc= 0.438 USER MOD Set 2.1: A 115 THR OG1 : rot 89:sc= 1.07 USER MOD Set 2.2: A 116 ASN : amide:sc= 0.937 K(o=2,f=0.17) USER MOD Single : A 27 MET CE :methyl -158:sc= -0.191 (180deg=-0.857) USER MOD Single : A 29 GLN : amide:sc= -9.68! C(o=-9.7!,f=-20!) USER MOD Single : A 30 THR OG1 : rot -17:sc= 0.714 USER MOD Single : A 33 GLN : amide:sc= -0.964 K(o=-0.96,f=-3.6!) USER MOD Single : A 42 THR OG1 : rot -120:sc= -0.157 USER MOD Single : A 49 ASN : amide:sc= -0.0957 K(o=-0.096,f=-1.4) USER MOD Single : A 51 MET CE :methyl -172:sc= -1.63! (180deg=-1.72!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 CYS SG : rot -136:sc= -4.61! USER MOD Single : A 65 ASN : amide:sc= -0.968 K(o=-0.97,f=-7.2!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.0189 F(o=-4!,f=-0.019) USER MOD Single : A 71 SER OG : rot 77:sc= -3.13! USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 166:sc= -0.03 (180deg=-0.229) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.0868 F(o=-0.82,f=-0.087) USER MOD Single : A 80 GLN :FLIP amide:sc= -0.411 F(o=-2.8!,f=-0.41) USER MOD Single : A 81 ASN : amide:sc= -0.785 K(o=-0.78,f=-3) USER MOD Single : A 83 HIS : no HD1:sc= -0.699 X(o=-0.67,f=-1) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -1.44 K(o=-1.4,f=-2.9!) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.0856 F(o=-0.98,f=-0.086) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-2.9!) USER MOD Single : A 98 TYR OH : rot -165:sc= -1.74! USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 ASN : amide:sc= -3.35! C(o=-3.4!,f=-9.3!) USER MOD Single : A 117 HIS : no HE2:sc= -2.88! C(o=-2.9!,f=-7.6!) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 GLN :FLIP amide:sc= -2.48! C(o=-3!,f=-2.5!) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= -2.42 K(o=-2.4,f=-3.5!) USER MOD Single : A 132 LYS NZ :NH3+ -166:sc= -0.04 (180deg=-0.263) USER MOD Single : A 133 THR OG1 : rot -35:sc= 0.86 USER MOD Single : A 134 LYS NZ :NH3+ 165:sc= 1.37 (180deg=0.942) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 27 -16.969 -9.156 -9.449 1.00 0.00 N ATOM 2 CA MET A 27 -15.599 -8.724 -9.073 1.00 0.00 C ATOM 3 C MET A 27 -15.190 -7.465 -9.839 1.00 0.00 C ATOM 4 O MET A 27 -15.404 -7.369 -11.047 1.00 0.00 O ATOM 5 CB MET A 27 -14.629 -9.869 -9.374 1.00 0.00 C ATOM 6 CG MET A 27 -13.191 -9.571 -8.985 1.00 0.00 C ATOM 7 SD MET A 27 -12.085 -10.963 -9.293 1.00 0.00 S ATOM 8 CE MET A 27 -12.810 -12.214 -8.236 1.00 0.00 C ATOM 0 HA MET A 27 -15.575 -8.483 -8.010 1.00 0.00 H new ATOM 0 HB2 MET A 27 -14.961 -10.763 -8.846 1.00 0.00 H new ATOM 0 HB3 MET A 27 -14.668 -10.096 -10.439 1.00 0.00 H new ATOM 0 HG2 MET A 27 -12.840 -8.703 -9.543 1.00 0.00 H new ATOM 0 HG3 MET A 27 -13.152 -9.308 -7.928 1.00 0.00 H new ATOM 0 HE1 MET A 27 -12.063 -12.973 -8.005 1.00 0.00 H new ATOM 0 HE2 MET A 27 -13.156 -11.753 -7.311 1.00 0.00 H new ATOM 0 HE3 MET A 27 -13.653 -12.678 -8.747 1.00 0.00 H new ATOM 20 N PRO A 28 -14.598 -6.478 -9.140 1.00 0.00 N ATOM 21 CA PRO A 28 -14.167 -5.219 -9.760 1.00 0.00 C ATOM 22 C PRO A 28 -13.179 -5.435 -10.901 1.00 0.00 C ATOM 23 O PRO A 28 -13.316 -4.844 -11.973 1.00 0.00 O ATOM 24 CB PRO A 28 -13.490 -4.460 -8.613 1.00 0.00 C ATOM 25 CG PRO A 28 -14.041 -5.066 -7.368 1.00 0.00 C ATOM 26 CD PRO A 28 -14.312 -6.507 -7.695 1.00 0.00 C ATOM 0 HA PRO A 28 -15.007 -4.687 -10.206 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.406 -4.565 -8.656 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -13.709 -3.393 -8.663 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -13.332 -4.979 -6.545 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -14.954 -4.558 -7.057 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -13.454 -7.140 -7.467 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -15.156 -6.897 -7.126 1.00 0.00 H new ATOM 34 N GLN A 29 -12.180 -6.280 -10.662 1.00 0.00 N ATOM 35 CA GLN A 29 -11.161 -6.568 -11.669 1.00 0.00 C ATOM 36 C GLN A 29 -10.240 -7.702 -11.217 1.00 0.00 C ATOM 37 O GLN A 29 -10.709 -8.737 -10.742 1.00 0.00 O ATOM 38 CB GLN A 29 -10.353 -5.304 -11.979 1.00 0.00 C ATOM 39 CG GLN A 29 -10.040 -4.448 -10.758 1.00 0.00 C ATOM 40 CD GLN A 29 -9.344 -5.215 -9.651 1.00 0.00 C ATOM 41 OE1 GLN A 29 -9.939 -6.082 -9.011 1.00 0.00 O ATOM 42 NE2 GLN A 29 -8.075 -4.903 -9.424 1.00 0.00 N ATOM 0 H GLN A 29 -12.054 -6.777 -9.781 1.00 0.00 H new ATOM 0 HA GLN A 29 -11.664 -6.895 -12.579 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -9.416 -5.593 -12.456 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -10.905 -4.701 -12.700 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.411 -3.611 -11.061 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.968 -4.026 -10.371 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -7.621 -4.177 -9.979 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -7.553 -5.389 -8.695 1.00 0.00 H new ATOM 51 N THR A 30 -8.929 -7.511 -11.370 1.00 0.00 N ATOM 52 CA THR A 30 -7.963 -8.530 -10.977 1.00 0.00 C ATOM 53 C THR A 30 -6.587 -7.923 -10.714 1.00 0.00 C ATOM 54 O THR A 30 -5.956 -8.221 -9.700 1.00 0.00 O ATOM 55 CB THR A 30 -7.829 -9.621 -12.057 1.00 0.00 C ATOM 56 OG1 THR A 30 -9.101 -10.236 -12.294 1.00 0.00 O ATOM 57 CG2 THR A 30 -6.821 -10.682 -11.639 1.00 0.00 C ATOM 0 H THR A 30 -8.516 -6.664 -11.761 1.00 0.00 H new ATOM 0 HA THR A 30 -8.338 -8.978 -10.057 1.00 0.00 H new ATOM 0 HB THR A 30 -7.476 -9.148 -12.973 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.706 -10.033 -11.550 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.746 -11.440 -12.419 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.846 -10.218 -11.488 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.148 -11.149 -10.710 1.00 0.00 H new ATOM 65 N GLU A 31 -6.123 -7.074 -11.629 1.00 0.00 N ATOM 66 CA GLU A 31 -4.817 -6.436 -11.481 1.00 0.00 C ATOM 67 C GLU A 31 -4.599 -5.347 -12.528 1.00 0.00 C ATOM 68 O GLU A 31 -3.893 -4.370 -12.277 1.00 0.00 O ATOM 69 CB GLU A 31 -3.699 -7.484 -11.555 1.00 0.00 C ATOM 70 CG GLU A 31 -3.757 -8.382 -12.785 1.00 0.00 C ATOM 71 CD GLU A 31 -3.417 -7.654 -14.071 1.00 0.00 C ATOM 72 OE1 GLU A 31 -2.306 -7.090 -14.158 1.00 0.00 O ATOM 73 OE2 GLU A 31 -4.260 -7.653 -14.993 1.00 0.00 O ATOM 0 H GLU A 31 -6.629 -6.813 -12.476 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.791 -5.959 -10.501 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.737 -6.972 -11.539 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.743 -8.108 -10.662 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.066 -9.214 -12.652 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.757 -8.808 -12.869 1.00 0.00 H new ATOM 80 N ARG A 32 -5.201 -5.519 -13.699 1.00 0.00 N ATOM 81 CA ARG A 32 -5.061 -4.549 -14.780 1.00 0.00 C ATOM 82 C ARG A 32 -5.497 -3.158 -14.326 1.00 0.00 C ATOM 83 O ARG A 32 -4.812 -2.168 -14.583 1.00 0.00 O ATOM 84 CB ARG A 32 -5.883 -4.982 -15.992 1.00 0.00 C ATOM 85 CG ARG A 32 -5.731 -4.055 -17.185 1.00 0.00 C ATOM 86 CD ARG A 32 -6.555 -4.533 -18.368 1.00 0.00 C ATOM 87 NE ARG A 32 -6.156 -5.866 -18.814 1.00 0.00 N ATOM 88 CZ ARG A 32 -4.953 -6.156 -19.303 1.00 0.00 C ATOM 89 NH1 ARG A 32 -4.036 -5.205 -19.428 1.00 0.00 N ATOM 90 NH2 ARG A 32 -4.668 -7.396 -19.673 1.00 0.00 N ATOM 0 H ARG A 32 -5.790 -6.320 -13.925 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.008 -4.506 -15.060 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.585 -5.989 -16.283 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.935 -5.030 -15.710 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -6.042 -3.048 -16.907 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.681 -3.997 -17.471 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.610 -4.544 -18.094 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.447 -3.828 -19.192 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.841 -6.619 -18.746 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -4.252 -4.248 -19.149 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.115 -5.431 -19.803 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.371 -8.129 -19.583 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.745 -7.617 -20.048 1.00 0.00 H new ATOM 104 N GLN A 33 -6.639 -3.093 -13.653 1.00 0.00 N ATOM 105 CA GLN A 33 -7.173 -1.831 -13.164 1.00 0.00 C ATOM 106 C GLN A 33 -6.316 -1.268 -12.032 1.00 0.00 C ATOM 107 O GLN A 33 -6.188 -0.053 -11.890 1.00 0.00 O ATOM 108 CB GLN A 33 -8.611 -2.023 -12.689 1.00 0.00 C ATOM 109 CG GLN A 33 -9.241 -0.767 -12.116 1.00 0.00 C ATOM 110 CD GLN A 33 -9.364 0.349 -13.136 1.00 0.00 C ATOM 111 OE1 GLN A 33 -8.366 0.834 -13.670 1.00 0.00 O ATOM 112 NE2 GLN A 33 -10.594 0.763 -13.413 1.00 0.00 N ATOM 0 H GLN A 33 -7.215 -3.905 -13.433 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.157 -1.115 -13.985 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.216 -2.372 -13.526 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.632 -2.806 -11.931 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.230 -1.008 -11.727 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.643 -0.418 -11.274 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.394 0.334 -12.947 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.740 1.511 -14.091 1.00 0.00 H new ATOM 121 N LEU A 34 -5.744 -2.156 -11.223 1.00 0.00 N ATOM 122 CA LEU A 34 -4.910 -1.745 -10.094 1.00 0.00 C ATOM 123 C LEU A 34 -3.839 -0.745 -10.524 1.00 0.00 C ATOM 124 O LEU A 34 -3.606 0.258 -9.848 1.00 0.00 O ATOM 125 CB LEU A 34 -4.238 -2.964 -9.454 1.00 0.00 C ATOM 126 CG LEU A 34 -5.192 -3.996 -8.846 1.00 0.00 C ATOM 127 CD1 LEU A 34 -4.410 -5.176 -8.287 1.00 0.00 C ATOM 128 CD2 LEU A 34 -6.043 -3.362 -7.757 1.00 0.00 C ATOM 0 H LEU A 34 -5.842 -3.166 -11.327 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.562 -1.262 -9.366 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.627 -3.459 -10.209 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.561 -2.616 -8.674 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.854 -4.358 -9.633 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.102 -5.901 -7.858 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.841 -5.648 -9.088 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.726 -4.826 -7.514 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.714 -4.111 -7.337 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.397 -2.973 -6.970 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.629 -2.547 -8.182 1.00 0.00 H new ATOM 140 N ARG A 35 -3.181 -1.031 -11.642 1.00 0.00 N ATOM 141 CA ARG A 35 -2.124 -0.164 -12.153 1.00 0.00 C ATOM 142 C ARG A 35 -2.648 1.238 -12.466 1.00 0.00 C ATOM 143 O ARG A 35 -2.078 2.233 -12.025 1.00 0.00 O ATOM 144 CB ARG A 35 -1.499 -0.778 -13.407 1.00 0.00 C ATOM 145 CG ARG A 35 -0.374 0.055 -14.000 1.00 0.00 C ATOM 146 CD ARG A 35 0.224 -0.610 -15.229 1.00 0.00 C ATOM 147 NE ARG A 35 0.786 -1.923 -14.923 1.00 0.00 N ATOM 148 CZ ARG A 35 1.365 -2.707 -15.827 1.00 0.00 C ATOM 149 NH1 ARG A 35 1.456 -2.313 -17.090 1.00 0.00 N ATOM 150 NH2 ARG A 35 1.854 -3.886 -15.468 1.00 0.00 N ATOM 0 H ARG A 35 -3.361 -1.857 -12.213 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.365 -0.073 -11.376 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.116 -1.769 -13.163 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.275 -0.913 -14.160 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.752 1.042 -14.267 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.404 0.204 -13.251 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.545 -0.714 -15.995 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.003 0.030 -15.644 1.00 0.00 H new ATOM 0 HE ARG A 35 0.731 -2.257 -13.961 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.081 -1.407 -17.370 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.901 -2.916 -17.782 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.786 -4.192 -14.497 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.298 -4.487 -16.162 1.00 0.00 H new ATOM 164 N VAL A 36 -3.729 1.307 -13.233 1.00 0.00 N ATOM 165 CA VAL A 36 -4.320 2.588 -13.612 1.00 0.00 C ATOM 166 C VAL A 36 -4.846 3.351 -12.398 1.00 0.00 C ATOM 167 O VAL A 36 -4.709 4.571 -12.313 1.00 0.00 O ATOM 168 CB VAL A 36 -5.471 2.395 -14.621 1.00 0.00 C ATOM 169 CG1 VAL A 36 -6.086 3.734 -14.998 1.00 0.00 C ATOM 170 CG2 VAL A 36 -4.979 1.660 -15.858 1.00 0.00 C ATOM 0 H VAL A 36 -4.216 0.492 -13.606 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.524 3.171 -14.076 1.00 0.00 H new ATOM 0 HB VAL A 36 -6.244 1.789 -14.148 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.896 3.575 -15.710 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -6.479 4.218 -14.104 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.325 4.370 -15.450 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -5.805 1.533 -16.558 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.186 2.237 -16.333 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -4.593 0.682 -15.571 1.00 0.00 H new ATOM 180 N TRP A 37 -5.460 2.627 -11.470 1.00 0.00 N ATOM 181 CA TRP A 37 -6.026 3.230 -10.267 1.00 0.00 C ATOM 182 C TRP A 37 -4.961 3.897 -9.393 1.00 0.00 C ATOM 183 O TRP A 37 -4.924 5.121 -9.277 1.00 0.00 O ATOM 184 CB TRP A 37 -6.795 2.163 -9.465 1.00 0.00 C ATOM 185 CG TRP A 37 -6.826 2.396 -7.978 1.00 0.00 C ATOM 186 CD1 TRP A 37 -6.912 3.594 -7.326 1.00 0.00 C ATOM 187 CD2 TRP A 37 -6.775 1.391 -6.957 1.00 0.00 C ATOM 188 NE1 TRP A 37 -6.879 3.396 -5.970 1.00 0.00 N ATOM 189 CE2 TRP A 37 -6.812 2.054 -5.716 1.00 0.00 C ATOM 190 CE3 TRP A 37 -6.698 -0.004 -6.971 1.00 0.00 C ATOM 191 CZ2 TRP A 37 -6.773 1.370 -4.504 1.00 0.00 C ATOM 192 CZ3 TRP A 37 -6.662 -0.681 -5.767 1.00 0.00 C ATOM 193 CH2 TRP A 37 -6.700 0.006 -4.548 1.00 0.00 C ATOM 0 H TRP A 37 -5.580 1.616 -11.527 1.00 0.00 H new ATOM 0 HA TRP A 37 -6.712 4.017 -10.581 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -7.820 2.119 -9.834 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -6.345 1.189 -9.657 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -6.994 4.557 -7.809 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -6.901 4.132 -5.264 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -6.667 -0.543 -7.906 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -6.799 1.899 -3.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -6.604 -1.759 -5.766 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -6.671 -0.553 -3.624 1.00 0.00 H new ATOM 204 N ILE A 38 -4.130 3.086 -8.749 1.00 0.00 N ATOM 205 CA ILE A 38 -3.102 3.597 -7.849 1.00 0.00 C ATOM 206 C ILE A 38 -2.153 4.577 -8.537 1.00 0.00 C ATOM 207 O ILE A 38 -1.948 5.690 -8.052 1.00 0.00 O ATOM 208 CB ILE A 38 -2.293 2.440 -7.236 1.00 0.00 C ATOM 209 CG1 ILE A 38 -3.198 1.564 -6.365 1.00 0.00 C ATOM 210 CG2 ILE A 38 -1.115 2.972 -6.430 1.00 0.00 C ATOM 211 CD1 ILE A 38 -2.503 0.344 -5.803 1.00 0.00 C ATOM 0 H ILE A 38 -4.148 2.070 -8.833 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.623 4.140 -7.060 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.896 1.828 -8.046 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.585 2.163 -5.541 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.056 1.243 -6.956 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.557 2.137 -6.006 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.461 3.552 -7.081 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.483 3.609 -5.625 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.206 -0.228 -5.197 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.140 -0.277 -6.622 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.662 0.657 -5.185 1.00 0.00 H new ATOM 223 N GLU A 39 -1.573 4.167 -9.661 1.00 0.00 N ATOM 224 CA GLU A 39 -0.647 5.030 -10.389 1.00 0.00 C ATOM 225 C GLU A 39 -1.345 6.297 -10.870 1.00 0.00 C ATOM 226 O GLU A 39 -0.805 7.397 -10.752 1.00 0.00 O ATOM 227 CB GLU A 39 -0.038 4.281 -11.577 1.00 0.00 C ATOM 228 CG GLU A 39 0.804 3.083 -11.170 1.00 0.00 C ATOM 229 CD GLU A 39 1.390 2.346 -12.359 1.00 0.00 C ATOM 230 OE1 GLU A 39 1.133 2.768 -13.506 1.00 0.00 O ATOM 231 OE2 GLU A 39 2.108 1.347 -12.142 1.00 0.00 O ATOM 0 H GLU A 39 -1.725 3.252 -10.085 1.00 0.00 H new ATOM 0 HA GLU A 39 0.153 5.317 -9.706 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.840 3.945 -12.235 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.579 4.970 -12.153 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.613 3.417 -10.521 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.191 2.395 -10.588 1.00 0.00 H new ATOM 238 N GLY A 40 -2.548 6.134 -11.408 1.00 0.00 N ATOM 239 CA GLY A 40 -3.306 7.272 -11.897 1.00 0.00 C ATOM 240 C GLY A 40 -3.694 8.235 -10.791 1.00 0.00 C ATOM 241 O GLY A 40 -3.767 9.445 -11.010 1.00 0.00 O ATOM 0 H GLY A 40 -3.013 5.233 -11.515 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.716 7.802 -12.645 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.207 6.916 -12.396 1.00 0.00 H new ATOM 245 N ALA A 41 -3.953 7.696 -9.603 1.00 0.00 N ATOM 246 CA ALA A 41 -4.348 8.511 -8.458 1.00 0.00 C ATOM 247 C ALA A 41 -3.334 9.616 -8.183 1.00 0.00 C ATOM 248 O ALA A 41 -3.632 10.800 -8.345 1.00 0.00 O ATOM 249 CB ALA A 41 -4.518 7.636 -7.225 1.00 0.00 C ATOM 0 H ALA A 41 -3.896 6.696 -9.408 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.301 8.984 -8.697 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.813 8.255 -6.377 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.288 6.888 -7.413 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.575 7.137 -7.000 1.00 0.00 H new ATOM 255 N THR A 42 -2.134 9.223 -7.769 1.00 0.00 N ATOM 256 CA THR A 42 -1.078 10.184 -7.474 1.00 0.00 C ATOM 257 C THR A 42 -0.334 10.591 -8.741 1.00 0.00 C ATOM 258 O THR A 42 -0.345 11.758 -9.133 1.00 0.00 O ATOM 259 CB THR A 42 -0.070 9.612 -6.458 1.00 0.00 C ATOM 260 OG1 THR A 42 0.461 8.371 -6.938 1.00 0.00 O ATOM 261 CG2 THR A 42 -0.731 9.396 -5.104 1.00 0.00 C ATOM 0 H THR A 42 -1.869 8.248 -7.630 1.00 0.00 H new ATOM 0 HA THR A 42 -1.559 11.062 -7.043 1.00 0.00 H new ATOM 0 HB THR A 42 0.740 10.331 -6.340 1.00 0.00 H new ATOM 0 HG1 THR A 42 0.251 7.657 -6.301 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.001 8.992 -4.403 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.108 10.347 -4.727 1.00 0.00 H new ATOM 0 HG23 THR A 42 -1.558 8.694 -5.211 1.00 0.00 H new ATOM 269 N GLY A 43 0.314 9.620 -9.374 1.00 0.00 N ATOM 270 CA GLY A 43 1.062 9.885 -10.587 1.00 0.00 C ATOM 271 C GLY A 43 2.198 8.902 -10.765 1.00 0.00 C ATOM 272 O GLY A 43 2.585 8.577 -11.887 1.00 0.00 O ATOM 0 H GLY A 43 0.334 8.648 -9.066 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.394 9.830 -11.447 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.459 10.900 -10.556 1.00 0.00 H new ATOM 276 N ARG A 44 2.734 8.441 -9.642 1.00 0.00 N ATOM 277 CA ARG A 44 3.841 7.494 -9.641 1.00 0.00 C ATOM 278 C ARG A 44 3.480 6.219 -10.394 1.00 0.00 C ATOM 279 O ARG A 44 2.424 5.629 -10.167 1.00 0.00 O ATOM 280 CB ARG A 44 4.221 7.148 -8.203 1.00 0.00 C ATOM 281 CG ARG A 44 4.317 8.357 -7.286 1.00 0.00 C ATOM 282 CD ARG A 44 5.306 9.376 -7.820 1.00 0.00 C ATOM 283 NE ARG A 44 5.359 10.581 -6.993 1.00 0.00 N ATOM 284 CZ ARG A 44 5.752 10.590 -5.722 1.00 0.00 C ATOM 285 NH1 ARG A 44 6.142 9.467 -5.133 1.00 0.00 N ATOM 286 NH2 ARG A 44 5.762 11.728 -5.040 1.00 0.00 N ATOM 0 H ARG A 44 2.416 8.711 -8.711 1.00 0.00 H new ATOM 0 HA ARG A 44 4.686 7.961 -10.146 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.483 6.455 -7.799 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.179 6.628 -8.205 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.335 8.819 -7.185 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.623 8.037 -6.290 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.298 8.926 -7.868 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.030 9.648 -8.839 1.00 0.00 H new ATOM 0 HE ARG A 44 5.078 11.466 -7.415 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.142 8.591 -5.655 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.442 9.480 -4.158 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.469 12.595 -5.490 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.063 11.736 -4.065 1.00 0.00 H new ATOM 300 N ARG A 45 4.370 5.795 -11.286 1.00 0.00 N ATOM 301 CA ARG A 45 4.152 4.584 -12.068 1.00 0.00 C ATOM 302 C ARG A 45 4.728 3.366 -11.349 1.00 0.00 C ATOM 303 O ARG A 45 5.249 2.453 -11.985 1.00 0.00 O ATOM 304 CB ARG A 45 4.795 4.730 -13.448 1.00 0.00 C ATOM 305 CG ARG A 45 4.288 5.929 -14.234 1.00 0.00 C ATOM 306 CD ARG A 45 2.809 5.803 -14.562 1.00 0.00 C ATOM 307 NE ARG A 45 2.537 4.661 -15.432 1.00 0.00 N ATOM 308 CZ ARG A 45 1.327 4.355 -15.890 1.00 0.00 C ATOM 309 NH1 ARG A 45 0.281 5.100 -15.562 1.00 0.00 N ATOM 310 NH2 ARG A 45 1.163 3.301 -16.678 1.00 0.00 N ATOM 0 H ARG A 45 5.249 6.273 -11.485 1.00 0.00 H new ATOM 0 HA ARG A 45 3.078 4.438 -12.187 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.875 4.815 -13.329 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.608 3.824 -14.024 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.457 6.839 -13.658 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.858 6.026 -15.158 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.240 5.698 -13.638 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.466 6.717 -15.046 1.00 0.00 H new ATOM 0 HE ARG A 45 3.319 4.065 -15.703 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.403 5.911 -14.956 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.646 4.862 -15.915 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.965 2.725 -16.933 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.235 3.066 -17.029 1.00 0.00 H new ATOM 324 N ILE A 46 4.622 3.368 -10.019 1.00 0.00 N ATOM 325 CA ILE A 46 5.126 2.276 -9.191 1.00 0.00 C ATOM 326 C ILE A 46 6.628 2.076 -9.383 1.00 0.00 C ATOM 327 O ILE A 46 7.429 2.476 -8.539 1.00 0.00 O ATOM 328 CB ILE A 46 4.379 0.964 -9.499 1.00 0.00 C ATOM 329 CG1 ILE A 46 2.916 1.070 -9.059 1.00 0.00 C ATOM 330 CG2 ILE A 46 5.062 -0.221 -8.824 1.00 0.00 C ATOM 331 CD1 ILE A 46 2.736 1.226 -7.564 1.00 0.00 C ATOM 0 H ILE A 46 4.186 4.123 -9.490 1.00 0.00 H new ATOM 0 HA ILE A 46 4.947 2.549 -8.151 1.00 0.00 H new ATOM 0 HB ILE A 46 4.405 0.797 -10.576 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.456 1.921 -9.561 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.382 0.179 -9.389 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.517 -1.136 -9.056 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.086 -0.307 -9.188 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.072 -0.069 -7.745 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.673 1.294 -7.331 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.165 0.363 -7.054 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.240 2.133 -7.229 1.00 0.00 H new ATOM 343 N GLY A 47 7.000 1.461 -10.499 1.00 0.00 N ATOM 344 CA GLY A 47 8.402 1.223 -10.788 1.00 0.00 C ATOM 345 C GLY A 47 8.606 0.079 -11.761 1.00 0.00 C ATOM 346 O GLY A 47 7.806 -0.115 -12.677 1.00 0.00 O ATOM 0 H GLY A 47 6.354 1.122 -11.211 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.844 2.130 -11.200 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.930 1.005 -9.859 1.00 0.00 H new ATOM 350 N ASP A 48 9.676 -0.686 -11.559 1.00 0.00 N ATOM 351 CA ASP A 48 9.976 -1.821 -12.423 1.00 0.00 C ATOM 352 C ASP A 48 9.048 -2.991 -12.112 1.00 0.00 C ATOM 353 O ASP A 48 8.401 -3.539 -13.004 1.00 0.00 O ATOM 354 CB ASP A 48 11.435 -2.249 -12.251 1.00 0.00 C ATOM 355 CG ASP A 48 12.408 -1.140 -12.595 1.00 0.00 C ATOM 356 OD1 ASP A 48 12.386 -0.668 -13.751 1.00 0.00 O ATOM 357 OD2 ASP A 48 13.193 -0.742 -11.708 1.00 0.00 O ATOM 0 H ASP A 48 10.348 -0.540 -10.806 1.00 0.00 H new ATOM 0 HA ASP A 48 9.817 -1.516 -13.457 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.599 -2.565 -11.221 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.634 -3.113 -12.885 1.00 0.00 H new ATOM 362 N ASN A 49 8.984 -3.359 -10.836 1.00 0.00 N ATOM 363 CA ASN A 49 8.131 -4.455 -10.393 1.00 0.00 C ATOM 364 C ASN A 49 6.955 -3.925 -9.582 1.00 0.00 C ATOM 365 O ASN A 49 7.103 -2.988 -8.797 1.00 0.00 O ATOM 366 CB ASN A 49 8.936 -5.457 -9.564 1.00 0.00 C ATOM 367 CG ASN A 49 10.071 -6.081 -10.351 1.00 0.00 C ATOM 368 OD1 ASN A 49 10.970 -5.384 -10.824 1.00 0.00 O ATOM 369 ND2 ASN A 49 10.037 -7.400 -10.497 1.00 0.00 N ATOM 0 H ASN A 49 9.515 -2.912 -10.089 1.00 0.00 H new ATOM 0 HA ASN A 49 7.742 -4.964 -11.275 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.340 -4.955 -8.685 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.272 -6.243 -9.205 1.00 0.00 H new ATOM 0 HD21 ASN A 49 10.775 -7.875 -11.018 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.273 -7.939 -10.088 1.00 0.00 H new ATOM 376 N PHE A 50 5.786 -4.522 -9.783 1.00 0.00 N ATOM 377 CA PHE A 50 4.581 -4.103 -9.077 1.00 0.00 C ATOM 378 C PHE A 50 4.731 -4.280 -7.567 1.00 0.00 C ATOM 379 O PHE A 50 4.483 -3.352 -6.799 1.00 0.00 O ATOM 380 CB PHE A 50 3.376 -4.901 -9.582 1.00 0.00 C ATOM 381 CG PHE A 50 2.057 -4.422 -9.042 1.00 0.00 C ATOM 382 CD1 PHE A 50 1.724 -3.077 -9.081 1.00 0.00 C ATOM 383 CD2 PHE A 50 1.149 -5.318 -8.501 1.00 0.00 C ATOM 384 CE1 PHE A 50 0.512 -2.635 -8.590 1.00 0.00 C ATOM 385 CE2 PHE A 50 -0.066 -4.882 -8.010 1.00 0.00 C ATOM 386 CZ PHE A 50 -0.385 -3.538 -8.054 1.00 0.00 C ATOM 0 H PHE A 50 5.647 -5.298 -10.430 1.00 0.00 H new ATOM 0 HA PHE A 50 4.423 -3.043 -9.277 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.351 -4.852 -10.671 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.508 -5.949 -9.313 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.421 -2.367 -9.500 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.394 -6.369 -8.463 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.265 -1.584 -8.625 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.766 -5.590 -7.592 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.334 -3.194 -7.670 1.00 0.00 H new ATOM 396 N MET A 51 5.137 -5.475 -7.146 1.00 0.00 N ATOM 397 CA MET A 51 5.315 -5.769 -5.724 1.00 0.00 C ATOM 398 C MET A 51 6.514 -5.023 -5.164 1.00 0.00 C ATOM 399 O MET A 51 6.408 -4.304 -4.171 1.00 0.00 O ATOM 400 CB MET A 51 5.517 -7.267 -5.515 1.00 0.00 C ATOM 401 CG MET A 51 4.493 -8.114 -6.233 1.00 0.00 C ATOM 402 SD MET A 51 2.812 -7.762 -5.689 1.00 0.00 S ATOM 403 CE MET A 51 1.907 -8.984 -6.626 1.00 0.00 C ATOM 0 H MET A 51 5.349 -6.256 -7.767 1.00 0.00 H new ATOM 0 HA MET A 51 4.416 -5.444 -5.200 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.513 -7.544 -5.860 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.476 -7.487 -4.448 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.569 -7.940 -7.306 1.00 0.00 H new ATOM 0 HG3 MET A 51 4.714 -9.168 -6.064 1.00 0.00 H new ATOM 0 HE1 MET A 51 0.837 -8.809 -6.514 1.00 0.00 H new ATOM 0 HE2 MET A 51 2.178 -8.909 -7.679 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.153 -9.980 -6.258 1.00 0.00 H new ATOM 413 N ASP A 52 7.656 -5.213 -5.812 1.00 0.00 N ATOM 414 CA ASP A 52 8.896 -4.571 -5.388 1.00 0.00 C ATOM 415 C ASP A 52 8.706 -3.065 -5.233 1.00 0.00 C ATOM 416 O ASP A 52 9.274 -2.447 -4.333 1.00 0.00 O ATOM 417 CB ASP A 52 10.015 -4.856 -6.391 1.00 0.00 C ATOM 418 CG ASP A 52 11.332 -4.224 -5.986 1.00 0.00 C ATOM 419 OD1 ASP A 52 11.843 -4.564 -4.897 1.00 0.00 O ATOM 420 OD2 ASP A 52 11.854 -3.392 -6.757 1.00 0.00 O ATOM 0 H ASP A 52 7.751 -5.808 -6.635 1.00 0.00 H new ATOM 0 HA ASP A 52 9.174 -4.985 -4.419 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.147 -5.934 -6.487 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.723 -4.482 -7.372 1.00 0.00 H new ATOM 425 N GLY A 53 7.906 -2.481 -6.118 1.00 0.00 N ATOM 426 CA GLY A 53 7.655 -1.053 -6.062 1.00 0.00 C ATOM 427 C GLY A 53 6.896 -0.642 -4.815 1.00 0.00 C ATOM 428 O GLY A 53 7.243 0.343 -4.169 1.00 0.00 O ATOM 0 H GLY A 53 7.427 -2.971 -6.873 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.605 -0.519 -6.097 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.088 -0.753 -6.943 1.00 0.00 H new ATOM 432 N LEU A 54 5.854 -1.398 -4.481 1.00 0.00 N ATOM 433 CA LEU A 54 5.028 -1.114 -3.308 1.00 0.00 C ATOM 434 C LEU A 54 5.846 -1.170 -2.016 1.00 0.00 C ATOM 435 O LEU A 54 5.498 -0.531 -1.023 1.00 0.00 O ATOM 436 CB LEU A 54 3.875 -2.119 -3.223 1.00 0.00 C ATOM 437 CG LEU A 54 2.955 -2.170 -4.448 1.00 0.00 C ATOM 438 CD1 LEU A 54 1.973 -3.325 -4.323 1.00 0.00 C ATOM 439 CD2 LEU A 54 2.205 -0.858 -4.616 1.00 0.00 C ATOM 0 H LEU A 54 5.559 -2.219 -5.010 1.00 0.00 H new ATOM 0 HA LEU A 54 4.633 -0.104 -3.419 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.293 -3.113 -3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.272 -1.881 -2.347 1.00 0.00 H new ATOM 0 HG LEU A 54 3.573 -2.327 -5.332 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.326 -3.349 -5.200 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.522 -4.264 -4.252 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.366 -3.191 -3.428 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.559 -0.918 -5.492 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.599 -0.669 -3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.919 -0.045 -4.747 1.00 0.00 H new ATOM 451 N LYS A 55 6.913 -1.963 -2.032 1.00 0.00 N ATOM 452 CA LYS A 55 7.772 -2.143 -0.860 1.00 0.00 C ATOM 453 C LYS A 55 8.175 -0.819 -0.210 1.00 0.00 C ATOM 454 O LYS A 55 8.150 -0.695 1.014 1.00 0.00 O ATOM 455 CB LYS A 55 9.037 -2.907 -1.253 1.00 0.00 C ATOM 456 CG LYS A 55 8.766 -4.207 -1.990 1.00 0.00 C ATOM 457 CD LYS A 55 10.061 -4.911 -2.362 1.00 0.00 C ATOM 458 CE LYS A 55 10.761 -5.467 -1.140 1.00 0.00 C ATOM 459 NZ LYS A 55 12.082 -6.065 -1.477 1.00 0.00 N ATOM 0 H LYS A 55 7.207 -2.497 -2.850 1.00 0.00 H new ATOM 0 HA LYS A 55 7.191 -2.707 -0.131 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.656 -2.267 -1.881 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.613 -3.124 -0.353 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.160 -4.863 -1.365 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.188 -4.003 -2.892 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.849 -5.720 -3.061 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.722 -4.212 -2.875 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.900 -4.671 -0.408 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.130 -6.223 -0.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.527 -6.433 -0.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.949 -6.842 -2.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.695 -5.338 -1.899 1.00 0.00 H new ATOM 473 N ASP A 56 8.577 0.153 -1.024 1.00 0.00 N ATOM 474 CA ASP A 56 9.021 1.449 -0.509 1.00 0.00 C ATOM 475 C ASP A 56 8.026 2.036 0.486 1.00 0.00 C ATOM 476 O ASP A 56 8.421 2.635 1.487 1.00 0.00 O ATOM 477 CB ASP A 56 9.250 2.437 -1.652 1.00 0.00 C ATOM 478 CG ASP A 56 7.955 2.963 -2.240 1.00 0.00 C ATOM 479 OD1 ASP A 56 7.082 2.143 -2.587 1.00 0.00 O ATOM 480 OD2 ASP A 56 7.816 4.198 -2.355 1.00 0.00 O ATOM 0 H ASP A 56 8.605 0.070 -2.040 1.00 0.00 H new ATOM 0 HA ASP A 56 9.962 1.278 0.013 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.846 3.274 -1.289 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.829 1.950 -2.437 1.00 0.00 H new ATOM 485 N GLY A 57 6.738 1.872 0.208 1.00 0.00 N ATOM 486 CA GLY A 57 5.724 2.407 1.096 1.00 0.00 C ATOM 487 C GLY A 57 5.661 3.920 1.041 1.00 0.00 C ATOM 488 O GLY A 57 6.083 4.602 1.971 1.00 0.00 O ATOM 0 H GLY A 57 6.379 1.381 -0.611 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.752 1.994 0.827 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.933 2.090 2.118 1.00 0.00 H new ATOM 492 N VAL A 58 5.138 4.445 -0.060 1.00 0.00 N ATOM 493 CA VAL A 58 5.019 5.886 -0.245 1.00 0.00 C ATOM 494 C VAL A 58 3.838 6.200 -1.147 1.00 0.00 C ATOM 495 O VAL A 58 2.965 6.987 -0.792 1.00 0.00 O ATOM 496 CB VAL A 58 6.285 6.494 -0.885 1.00 0.00 C ATOM 497 CG1 VAL A 58 6.123 7.995 -1.066 1.00 0.00 C ATOM 498 CG2 VAL A 58 7.522 6.186 -0.052 1.00 0.00 C ATOM 0 H VAL A 58 4.788 3.891 -0.842 1.00 0.00 H new ATOM 0 HA VAL A 58 4.879 6.321 0.744 1.00 0.00 H new ATOM 0 HB VAL A 58 6.418 6.039 -1.866 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.025 8.406 -1.518 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.269 8.193 -1.714 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.958 8.463 -0.095 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.399 6.626 -0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.401 6.605 0.947 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.652 5.106 0.020 1.00 0.00 H new ATOM 508 N ILE A 59 3.822 5.573 -2.316 1.00 0.00 N ATOM 509 CA ILE A 59 2.753 5.777 -3.279 1.00 0.00 C ATOM 510 C ILE A 59 1.416 5.330 -2.703 1.00 0.00 C ATOM 511 O ILE A 59 0.423 6.052 -2.783 1.00 0.00 O ATOM 512 CB ILE A 59 3.032 5.009 -4.585 1.00 0.00 C ATOM 513 CG1 ILE A 59 4.413 5.383 -5.129 1.00 0.00 C ATOM 514 CG2 ILE A 59 1.949 5.301 -5.615 1.00 0.00 C ATOM 515 CD1 ILE A 59 4.824 4.590 -6.351 1.00 0.00 C ATOM 0 H ILE A 59 4.541 4.917 -2.619 1.00 0.00 H new ATOM 0 HA ILE A 59 2.709 6.843 -3.500 1.00 0.00 H new ATOM 0 HB ILE A 59 3.021 3.940 -4.374 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.420 6.444 -5.377 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.155 5.234 -4.344 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.161 4.751 -6.532 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.980 4.992 -5.222 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.929 6.370 -5.829 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.813 4.911 -6.678 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.851 3.529 -6.104 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.105 4.758 -7.153 1.00 0.00 H new ATOM 527 N LEU A 60 1.400 4.138 -2.109 1.00 0.00 N ATOM 528 CA LEU A 60 0.183 3.609 -1.506 1.00 0.00 C ATOM 529 C LEU A 60 -0.249 4.492 -0.346 1.00 0.00 C ATOM 530 O LEU A 60 -1.420 4.850 -0.230 1.00 0.00 O ATOM 531 CB LEU A 60 0.395 2.171 -1.031 1.00 0.00 C ATOM 532 CG LEU A 60 0.710 1.165 -2.140 1.00 0.00 C ATOM 533 CD1 LEU A 60 0.864 -0.232 -1.560 1.00 0.00 C ATOM 534 CD2 LEU A 60 -0.377 1.187 -3.207 1.00 0.00 C ATOM 0 H LEU A 60 2.212 3.525 -2.034 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.604 3.605 -2.260 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.210 2.159 -0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.502 1.842 -0.506 1.00 0.00 H new ATOM 0 HG LEU A 60 1.653 1.449 -2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.088 -0.936 -2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.678 -0.237 -0.835 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.063 -0.526 -1.067 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.136 0.465 -3.987 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.335 0.927 -2.756 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.439 2.184 -3.642 1.00 0.00 H new ATOM 546 N CYS A 61 0.710 4.860 0.498 1.00 0.00 N ATOM 547 CA CYS A 61 0.432 5.726 1.632 1.00 0.00 C ATOM 548 C CYS A 61 -0.154 7.044 1.138 1.00 0.00 C ATOM 549 O CYS A 61 -1.080 7.591 1.733 1.00 0.00 O ATOM 550 CB CYS A 61 1.712 5.969 2.440 1.00 0.00 C ATOM 551 SG CYS A 61 2.312 4.507 3.318 1.00 0.00 S ATOM 0 H CYS A 61 1.685 4.571 0.416 1.00 0.00 H new ATOM 0 HA CYS A 61 -0.294 5.242 2.285 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.493 6.323 1.767 1.00 0.00 H new ATOM 0 HB3 CYS A 61 1.529 6.765 3.162 1.00 0.00 H new ATOM 0 HG CYS A 61 2.665 4.840 4.524 1.00 0.00 H new ATOM 557 N GLU A 62 0.387 7.534 0.026 1.00 0.00 N ATOM 558 CA GLU A 62 -0.073 8.765 -0.586 1.00 0.00 C ATOM 559 C GLU A 62 -1.496 8.613 -1.120 1.00 0.00 C ATOM 560 O GLU A 62 -2.304 9.538 -1.040 1.00 0.00 O ATOM 561 CB GLU A 62 0.879 9.136 -1.714 1.00 0.00 C ATOM 562 CG GLU A 62 2.208 9.679 -1.221 1.00 0.00 C ATOM 563 CD GLU A 62 2.090 11.064 -0.614 1.00 0.00 C ATOM 564 OE1 GLU A 62 1.363 11.212 0.391 1.00 0.00 O ATOM 565 OE2 GLU A 62 2.726 12.000 -1.143 1.00 0.00 O ATOM 0 H GLU A 62 1.156 7.085 -0.472 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.086 9.556 0.164 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.060 8.257 -2.332 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.403 9.881 -2.352 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.621 8.996 -0.478 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.913 9.711 -2.052 1.00 0.00 H new ATOM 572 N LEU A 63 -1.788 7.439 -1.673 1.00 0.00 N ATOM 573 CA LEU A 63 -3.101 7.151 -2.235 1.00 0.00 C ATOM 574 C LEU A 63 -4.180 7.076 -1.158 1.00 0.00 C ATOM 575 O LEU A 63 -5.244 7.680 -1.296 1.00 0.00 O ATOM 576 CB LEU A 63 -3.056 5.838 -3.017 1.00 0.00 C ATOM 577 CG LEU A 63 -4.417 5.263 -3.400 1.00 0.00 C ATOM 578 CD1 LEU A 63 -5.204 6.254 -4.243 1.00 0.00 C ATOM 579 CD2 LEU A 63 -4.251 3.945 -4.136 1.00 0.00 C ATOM 0 H LEU A 63 -1.125 6.667 -1.743 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.359 7.971 -2.905 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.477 5.995 -3.927 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.521 5.098 -2.422 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.979 5.076 -2.485 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.170 5.823 -4.504 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.358 7.172 -3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.649 6.478 -5.154 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.232 3.550 -4.401 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.667 4.105 -5.043 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.734 3.232 -3.493 1.00 0.00 H new ATOM 591 N ILE A 64 -3.914 6.323 -0.096 1.00 0.00 N ATOM 592 CA ILE A 64 -4.884 6.170 0.983 1.00 0.00 C ATOM 593 C ILE A 64 -5.238 7.517 1.603 1.00 0.00 C ATOM 594 O ILE A 64 -6.386 7.751 1.968 1.00 0.00 O ATOM 595 CB ILE A 64 -4.382 5.207 2.077 1.00 0.00 C ATOM 596 CG1 ILE A 64 -5.438 5.033 3.167 1.00 0.00 C ATOM 597 CG2 ILE A 64 -3.071 5.697 2.670 1.00 0.00 C ATOM 598 CD1 ILE A 64 -6.725 4.404 2.675 1.00 0.00 C ATOM 0 H ILE A 64 -3.042 5.812 0.041 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.781 5.740 0.537 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.202 4.235 1.617 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -5.025 4.416 3.965 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.663 6.007 3.601 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.737 5.001 3.440 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.317 5.759 1.885 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.217 6.683 3.111 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -7.426 4.313 3.505 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -7.162 5.031 1.898 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.514 3.415 2.268 1.00 0.00 H new ATOM 610 N ASN A 65 -4.258 8.410 1.705 1.00 0.00 N ATOM 611 CA ASN A 65 -4.501 9.736 2.267 1.00 0.00 C ATOM 612 C ASN A 65 -5.638 10.430 1.526 1.00 0.00 C ATOM 613 O ASN A 65 -6.339 11.271 2.090 1.00 0.00 O ATOM 614 CB ASN A 65 -3.237 10.596 2.210 1.00 0.00 C ATOM 615 CG ASN A 65 -2.237 10.233 3.288 1.00 0.00 C ATOM 616 OD1 ASN A 65 -2.557 10.256 4.475 1.00 0.00 O ATOM 617 ND2 ASN A 65 -1.015 9.907 2.884 1.00 0.00 N ATOM 0 H ASN A 65 -3.296 8.243 1.409 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.785 9.610 3.312 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.769 10.483 1.232 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.511 11.646 2.313 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.300 9.663 3.569 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.792 9.901 1.889 1.00 0.00 H new ATOM 624 N LYS A 66 -5.815 10.067 0.260 1.00 0.00 N ATOM 625 CA LYS A 66 -6.856 10.639 -0.566 1.00 0.00 C ATOM 626 C LYS A 66 -8.230 10.188 -0.087 1.00 0.00 C ATOM 627 O LYS A 66 -9.114 11.005 0.170 1.00 0.00 O ATOM 628 CB LYS A 66 -6.644 10.203 -2.013 1.00 0.00 C ATOM 629 CG LYS A 66 -5.273 10.544 -2.567 1.00 0.00 C ATOM 630 CD LYS A 66 -5.054 12.044 -2.628 1.00 0.00 C ATOM 631 CE LYS A 66 -3.714 12.377 -3.253 1.00 0.00 C ATOM 632 NZ LYS A 66 -3.474 13.845 -3.314 1.00 0.00 N ATOM 0 H LYS A 66 -5.240 9.371 -0.215 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.808 11.726 -0.496 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.795 9.126 -2.083 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -7.404 10.672 -2.638 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.504 10.088 -1.943 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.167 10.119 -3.565 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.853 12.508 -3.206 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.104 12.463 -1.623 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.918 11.904 -2.678 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.670 11.961 -4.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.547 14.027 -3.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.218 14.295 -3.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.489 14.240 -2.352 1.00 0.00 H new ATOM 646 N LEU A 67 -8.397 8.874 0.028 1.00 0.00 N ATOM 647 CA LEU A 67 -9.656 8.294 0.474 1.00 0.00 C ATOM 648 C LEU A 67 -9.828 8.458 1.980 1.00 0.00 C ATOM 649 O LEU A 67 -10.806 9.044 2.444 1.00 0.00 O ATOM 650 CB LEU A 67 -9.704 6.811 0.105 1.00 0.00 C ATOM 651 CG LEU A 67 -9.465 6.504 -1.376 1.00 0.00 C ATOM 652 CD1 LEU A 67 -9.465 5.003 -1.615 1.00 0.00 C ATOM 653 CD2 LEU A 67 -10.513 7.185 -2.242 1.00 0.00 C ATOM 0 H LEU A 67 -7.671 8.189 -0.183 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.471 8.819 -0.024 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.957 6.281 0.696 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.677 6.412 0.391 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.487 6.896 -1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.294 4.803 -2.673 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.673 4.541 -1.025 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.428 4.587 -1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -10.325 6.954 -3.290 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -11.504 6.826 -1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -10.463 8.264 -2.094 1.00 0.00 H new ATOM 665 N GLN A 68 -8.869 7.936 2.738 1.00 0.00 N ATOM 666 CA GLN A 68 -8.909 8.022 4.190 1.00 0.00 C ATOM 667 C GLN A 68 -8.093 9.213 4.692 1.00 0.00 C ATOM 668 O GLN A 68 -6.869 9.231 4.588 1.00 0.00 O ATOM 669 CB GLN A 68 -8.383 6.727 4.813 1.00 0.00 C ATOM 670 CG GLN A 68 -8.420 6.724 6.334 1.00 0.00 C ATOM 671 CD GLN A 68 -7.895 5.434 6.940 1.00 0.00 C ATOM 672 OE1 GLN A 68 -7.484 4.495 6.094 1.00 0.00 O flip ATOM 673 NE2 GLN A 68 -7.859 5.283 8.161 1.00 0.00 N flip ATOM 0 H GLN A 68 -8.053 7.448 2.368 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.947 8.167 4.491 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.973 5.889 4.442 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.357 6.565 4.483 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.830 7.561 6.708 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.446 6.884 6.667 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -8.184 6.028 8.777 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -7.504 4.413 8.557 1.00 0.00 H new ATOM 682 N PRO A 69 -8.775 10.230 5.239 1.00 0.00 N ATOM 683 CA PRO A 69 -8.128 11.438 5.758 1.00 0.00 C ATOM 684 C PRO A 69 -7.052 11.139 6.803 1.00 0.00 C ATOM 685 O PRO A 69 -7.284 10.389 7.752 1.00 0.00 O ATOM 686 CB PRO A 69 -9.280 12.202 6.410 1.00 0.00 C ATOM 687 CG PRO A 69 -10.505 11.715 5.735 1.00 0.00 C ATOM 688 CD PRO A 69 -10.237 10.286 5.375 1.00 0.00 C ATOM 0 HA PRO A 69 -7.613 11.983 4.967 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -9.320 12.012 7.483 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -9.161 13.278 6.281 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -11.371 11.796 6.392 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -10.723 12.307 4.846 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -10.594 9.605 6.147 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.737 10.006 4.448 1.00 0.00 H new ATOM 696 N GLY A 70 -5.883 11.751 6.630 1.00 0.00 N ATOM 697 CA GLY A 70 -4.788 11.569 7.571 1.00 0.00 C ATOM 698 C GLY A 70 -4.405 10.117 7.795 1.00 0.00 C ATOM 699 O GLY A 70 -4.264 9.679 8.937 1.00 0.00 O ATOM 0 H GLY A 70 -5.673 12.374 5.850 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.916 12.113 7.208 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -5.066 12.013 8.527 1.00 0.00 H new ATOM 703 N SER A 71 -4.226 9.369 6.711 1.00 0.00 N ATOM 704 CA SER A 71 -3.845 7.963 6.813 1.00 0.00 C ATOM 705 C SER A 71 -2.376 7.820 7.198 1.00 0.00 C ATOM 706 O SER A 71 -2.022 7.009 8.053 1.00 0.00 O ATOM 707 CB SER A 71 -4.104 7.242 5.491 1.00 0.00 C ATOM 708 OG SER A 71 -5.482 7.241 5.177 1.00 0.00 O ATOM 0 H SER A 71 -4.338 9.710 5.756 1.00 0.00 H new ATOM 0 HA SER A 71 -4.454 7.509 7.594 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.545 7.729 4.692 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.741 6.216 5.555 1.00 0.00 H new ATOM 0 HG SER A 71 -5.740 8.122 4.833 1.00 0.00 H new ATOM 714 N VAL A 72 -1.525 8.615 6.556 1.00 0.00 N ATOM 715 CA VAL A 72 -0.091 8.585 6.820 1.00 0.00 C ATOM 716 C VAL A 72 0.500 9.988 6.745 1.00 0.00 C ATOM 717 O VAL A 72 0.267 10.717 5.781 1.00 0.00 O ATOM 718 CB VAL A 72 0.653 7.685 5.809 1.00 0.00 C ATOM 719 CG1 VAL A 72 2.134 7.609 6.147 1.00 0.00 C ATOM 720 CG2 VAL A 72 0.039 6.293 5.760 1.00 0.00 C ATOM 0 H VAL A 72 -1.806 9.291 5.846 1.00 0.00 H new ATOM 0 HA VAL A 72 0.038 8.179 7.823 1.00 0.00 H new ATOM 0 HB VAL A 72 0.549 8.132 4.820 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.640 6.970 5.423 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.567 8.609 6.114 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.258 7.193 7.147 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.582 5.681 5.040 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.100 5.833 6.747 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.006 6.367 5.458 1.00 0.00 H new ATOM 730 N GLN A 73 1.270 10.362 7.763 1.00 0.00 N ATOM 731 CA GLN A 73 1.897 11.677 7.802 1.00 0.00 C ATOM 732 C GLN A 73 3.012 11.757 6.755 1.00 0.00 C ATOM 733 O GLN A 73 2.819 11.347 5.610 1.00 0.00 O ATOM 734 CB GLN A 73 2.438 11.963 9.207 1.00 0.00 C ATOM 735 CG GLN A 73 2.773 13.427 9.452 1.00 0.00 C ATOM 736 CD GLN A 73 3.310 13.677 10.847 1.00 0.00 C ATOM 737 OE1 GLN A 73 4.335 13.120 11.241 1.00 0.00 O ATOM 738 NE2 GLN A 73 2.617 14.520 11.605 1.00 0.00 N ATOM 0 H GLN A 73 1.474 9.773 8.570 1.00 0.00 H new ATOM 0 HA GLN A 73 1.152 12.437 7.566 1.00 0.00 H new ATOM 0 HB2 GLN A 73 1.700 11.641 9.942 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.333 11.363 9.370 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.510 13.755 8.719 1.00 0.00 H new ATOM 0 HG3 GLN A 73 1.879 14.031 9.297 1.00 0.00 H new ATOM 0 HE21 GLN A 73 1.773 14.960 11.238 1.00 0.00 H new ATOM 0 HE22 GLN A 73 2.929 14.728 12.554 1.00 0.00 H new ATOM 747 N LYS A 74 4.177 12.273 7.141 1.00 0.00 N ATOM 748 CA LYS A 74 5.298 12.380 6.215 1.00 0.00 C ATOM 749 C LYS A 74 5.902 11.006 5.943 1.00 0.00 C ATOM 750 O LYS A 74 6.326 10.309 6.866 1.00 0.00 O ATOM 751 CB LYS A 74 6.363 13.328 6.774 1.00 0.00 C ATOM 752 CG LYS A 74 6.888 12.919 8.141 1.00 0.00 C ATOM 753 CD LYS A 74 7.938 13.894 8.648 1.00 0.00 C ATOM 754 CE LYS A 74 8.465 13.486 10.015 1.00 0.00 C ATOM 755 NZ LYS A 74 9.102 12.141 9.987 1.00 0.00 N ATOM 0 H LYS A 74 4.367 12.620 8.081 1.00 0.00 H new ATOM 0 HA LYS A 74 4.929 12.787 5.274 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.197 13.377 6.074 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.944 14.332 6.841 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.062 12.871 8.850 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.317 11.918 8.083 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.764 13.942 7.938 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.509 14.894 8.706 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.190 14.224 10.359 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.646 13.485 10.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.651 11.999 10.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.366 11.410 9.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 9.735 12.074 9.165 1.00 0.00 H new ATOM 769 N VAL A 75 5.934 10.618 4.673 1.00 0.00 N ATOM 770 CA VAL A 75 6.484 9.326 4.286 1.00 0.00 C ATOM 771 C VAL A 75 8.008 9.366 4.227 1.00 0.00 C ATOM 772 O VAL A 75 8.593 10.254 3.604 1.00 0.00 O ATOM 773 CB VAL A 75 5.933 8.866 2.922 1.00 0.00 C ATOM 774 CG1 VAL A 75 4.431 8.640 3.001 1.00 0.00 C ATOM 775 CG2 VAL A 75 6.269 9.878 1.837 1.00 0.00 C ATOM 0 H VAL A 75 5.586 11.179 3.896 1.00 0.00 H new ATOM 0 HA VAL A 75 6.178 8.612 5.050 1.00 0.00 H new ATOM 0 HB VAL A 75 6.408 7.920 2.662 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.060 8.316 2.029 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.217 7.873 3.745 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.938 9.569 3.286 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.871 9.534 0.882 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.826 10.842 2.089 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.351 9.985 1.761 1.00 0.00 H new ATOM 785 N ASN A 76 8.647 8.399 4.877 1.00 0.00 N ATOM 786 CA ASN A 76 10.104 8.324 4.896 1.00 0.00 C ATOM 787 C ASN A 76 10.638 7.890 3.536 1.00 0.00 C ATOM 788 O ASN A 76 10.151 6.922 2.950 1.00 0.00 O ATOM 789 CB ASN A 76 10.575 7.343 5.971 1.00 0.00 C ATOM 790 CG ASN A 76 10.089 7.718 7.357 1.00 0.00 C ATOM 791 OD1 ASN A 76 9.360 6.808 7.992 1.00 0.00 O flip ATOM 792 ND2 ASN A 76 10.367 8.810 7.852 1.00 0.00 N flip ATOM 0 H ASN A 76 8.180 7.657 5.397 1.00 0.00 H new ATOM 0 HA ASN A 76 10.490 9.317 5.126 1.00 0.00 H new ATOM 0 HB2 ASN A 76 10.221 6.342 5.724 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.664 7.305 5.970 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.930 9.479 7.327 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.034 9.046 8.787 1.00 0.00 H new ATOM 799 N ASP A 77 11.645 8.601 3.041 1.00 0.00 N ATOM 800 CA ASP A 77 12.243 8.271 1.751 1.00 0.00 C ATOM 801 C ASP A 77 12.883 6.886 1.802 1.00 0.00 C ATOM 802 O ASP A 77 13.679 6.597 2.696 1.00 0.00 O ATOM 803 CB ASP A 77 13.290 9.318 1.367 1.00 0.00 C ATOM 804 CG ASP A 77 12.702 10.711 1.253 1.00 0.00 C ATOM 805 OD1 ASP A 77 11.791 10.905 0.420 1.00 0.00 O ATOM 806 OD2 ASP A 77 13.152 11.608 1.996 1.00 0.00 O ATOM 0 H ASP A 77 12.063 9.405 3.509 1.00 0.00 H new ATOM 0 HA ASP A 77 11.457 8.267 0.996 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.085 9.323 2.112 1.00 0.00 H new ATOM 0 HB3 ASP A 77 13.746 9.040 0.417 1.00 0.00 H new ATOM 811 N PRO A 78 12.541 6.004 0.846 1.00 0.00 N ATOM 812 CA PRO A 78 13.088 4.645 0.801 1.00 0.00 C ATOM 813 C PRO A 78 14.575 4.626 0.463 1.00 0.00 C ATOM 814 O PRO A 78 14.980 5.036 -0.625 1.00 0.00 O ATOM 815 CB PRO A 78 12.274 3.973 -0.308 1.00 0.00 C ATOM 816 CG PRO A 78 11.833 5.095 -1.180 1.00 0.00 C ATOM 817 CD PRO A 78 11.595 6.255 -0.258 1.00 0.00 C ATOM 0 HA PRO A 78 13.014 4.143 1.766 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.877 3.253 -0.862 1.00 0.00 H new ATOM 0 HB3 PRO A 78 11.422 3.429 0.099 1.00 0.00 H new ATOM 0 HG2 PRO A 78 12.593 5.335 -1.924 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.925 4.835 -1.724 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.792 7.208 -0.749 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.564 6.285 0.094 1.00 0.00 H new ATOM 825 N VAL A 79 15.378 4.136 1.405 1.00 0.00 N ATOM 826 CA VAL A 79 16.826 4.044 1.226 1.00 0.00 C ATOM 827 C VAL A 79 17.394 2.927 2.093 1.00 0.00 C ATOM 828 O VAL A 79 18.067 2.022 1.601 1.00 0.00 O ATOM 829 CB VAL A 79 17.539 5.364 1.602 1.00 0.00 C ATOM 830 CG1 VAL A 79 19.044 5.224 1.428 1.00 0.00 C ATOM 831 CG2 VAL A 79 17.012 6.528 0.779 1.00 0.00 C ATOM 0 H VAL A 79 15.047 3.794 2.307 1.00 0.00 H new ATOM 0 HA VAL A 79 17.003 3.837 0.171 1.00 0.00 H new ATOM 0 HB VAL A 79 17.327 5.573 2.651 1.00 0.00 H new ATOM 0 HG11 VAL A 79 19.530 6.162 1.697 1.00 0.00 H new ATOM 0 HG12 VAL A 79 19.412 4.426 2.073 1.00 0.00 H new ATOM 0 HG13 VAL A 79 19.269 4.983 0.389 1.00 0.00 H new ATOM 0 HG21 VAL A 79 17.532 7.442 1.066 1.00 0.00 H new ATOM 0 HG22 VAL A 79 17.181 6.331 -0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 79 15.944 6.647 0.959 1.00 0.00 H new ATOM 841 N GLN A 80 17.106 2.999 3.390 1.00 0.00 N ATOM 842 CA GLN A 80 17.572 1.997 4.339 1.00 0.00 C ATOM 843 C GLN A 80 16.753 0.713 4.207 1.00 0.00 C ATOM 844 O GLN A 80 16.661 0.139 3.123 1.00 0.00 O ATOM 845 CB GLN A 80 17.491 2.545 5.767 1.00 0.00 C ATOM 846 CG GLN A 80 18.357 3.775 5.997 1.00 0.00 C ATOM 847 CD GLN A 80 19.848 3.483 5.917 1.00 0.00 C ATOM 848 OE1 GLN A 80 20.207 2.209 5.788 1.00 0.00 O flip ATOM 849 NE2 GLN A 80 20.670 4.397 5.982 1.00 0.00 N flip ATOM 0 H GLN A 80 16.550 3.745 3.807 1.00 0.00 H new ATOM 0 HA GLN A 80 18.613 1.761 4.116 1.00 0.00 H new ATOM 0 HB2 GLN A 80 16.454 2.793 5.994 1.00 0.00 H new ATOM 0 HB3 GLN A 80 17.792 1.764 6.465 1.00 0.00 H new ATOM 0 HG2 GLN A 80 18.102 4.534 5.257 1.00 0.00 H new ATOM 0 HG3 GLN A 80 18.128 4.195 6.977 1.00 0.00 H new ATOM 0 HE21 GLN A 80 20.353 5.362 6.081 1.00 0.00 H new ATOM 0 HE22 GLN A 80 21.668 4.190 5.937 1.00 0.00 H new ATOM 858 N ASN A 81 16.158 0.266 5.312 1.00 0.00 N ATOM 859 CA ASN A 81 15.350 -0.946 5.304 1.00 0.00 C ATOM 860 C ASN A 81 14.081 -0.760 6.130 1.00 0.00 C ATOM 861 O ASN A 81 12.988 -1.123 5.696 1.00 0.00 O ATOM 862 CB ASN A 81 16.155 -2.129 5.849 1.00 0.00 C ATOM 863 CG ASN A 81 17.395 -2.417 5.027 1.00 0.00 C ATOM 864 OD1 ASN A 81 18.291 -1.579 4.917 1.00 0.00 O ATOM 865 ND2 ASN A 81 17.455 -3.608 4.444 1.00 0.00 N ATOM 0 H ASN A 81 16.222 0.726 6.220 1.00 0.00 H new ATOM 0 HA ASN A 81 15.066 -1.153 4.272 1.00 0.00 H new ATOM 0 HB2 ASN A 81 16.446 -1.922 6.879 1.00 0.00 H new ATOM 0 HB3 ASN A 81 15.522 -3.016 5.869 1.00 0.00 H new ATOM 0 HD21 ASN A 81 18.266 -3.859 3.879 1.00 0.00 H new ATOM 0 HD22 ASN A 81 16.690 -4.272 4.561 1.00 0.00 H new ATOM 872 N TRP A 82 14.233 -0.193 7.323 1.00 0.00 N ATOM 873 CA TRP A 82 13.097 0.039 8.208 1.00 0.00 C ATOM 874 C TRP A 82 12.230 1.196 7.715 1.00 0.00 C ATOM 875 O TRP A 82 11.053 1.286 8.063 1.00 0.00 O ATOM 876 CB TRP A 82 13.570 0.276 9.647 1.00 0.00 C ATOM 877 CG TRP A 82 14.549 1.400 9.802 1.00 0.00 C ATOM 878 CD1 TRP A 82 15.907 1.326 9.677 1.00 0.00 C ATOM 879 CD2 TRP A 82 14.252 2.756 10.152 1.00 0.00 C ATOM 880 NE1 TRP A 82 16.471 2.556 9.908 1.00 0.00 N ATOM 881 CE2 TRP A 82 15.476 3.451 10.205 1.00 0.00 C ATOM 882 CE3 TRP A 82 13.070 3.453 10.418 1.00 0.00 C ATOM 883 CZ2 TRP A 82 15.549 4.807 10.516 1.00 0.00 C ATOM 884 CZ3 TRP A 82 13.145 4.799 10.728 1.00 0.00 C ATOM 885 CH2 TRP A 82 14.378 5.463 10.774 1.00 0.00 C ATOM 0 H TRP A 82 15.130 0.114 7.699 1.00 0.00 H new ATOM 0 HA TRP A 82 12.478 -0.858 8.197 1.00 0.00 H new ATOM 0 HB2 TRP A 82 12.701 0.479 10.273 1.00 0.00 H new ATOM 0 HB3 TRP A 82 14.026 -0.640 10.022 1.00 0.00 H new ATOM 0 HD1 TRP A 82 16.457 0.430 9.432 1.00 0.00 H new ATOM 0 HE1 TRP A 82 17.468 2.769 9.866 1.00 0.00 H new ATOM 0 HE3 TRP A 82 12.115 2.950 10.382 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 16.498 5.322 10.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 12.238 5.347 10.938 1.00 0.00 H new ATOM 0 HH2 TRP A 82 14.404 6.515 11.018 1.00 0.00 H new ATOM 896 N HIS A 83 12.810 2.074 6.895 1.00 0.00 N ATOM 897 CA HIS A 83 12.071 3.213 6.352 1.00 0.00 C ATOM 898 C HIS A 83 10.817 2.747 5.619 1.00 0.00 C ATOM 899 O HIS A 83 9.723 3.260 5.850 1.00 0.00 O ATOM 900 CB HIS A 83 12.950 4.018 5.388 1.00 0.00 C ATOM 901 CG HIS A 83 14.066 4.762 6.052 1.00 0.00 C ATOM 902 ND1 HIS A 83 14.979 5.526 5.354 1.00 0.00 N ATOM 903 CD2 HIS A 83 14.411 4.869 7.356 1.00 0.00 C ATOM 904 CE1 HIS A 83 15.835 6.068 6.200 1.00 0.00 C ATOM 905 NE2 HIS A 83 15.512 5.686 7.422 1.00 0.00 N ATOM 0 H HIS A 83 13.783 2.018 6.594 1.00 0.00 H new ATOM 0 HA HIS A 83 11.780 3.847 7.189 1.00 0.00 H new ATOM 0 HB2 HIS A 83 13.371 3.340 4.646 1.00 0.00 H new ATOM 0 HB3 HIS A 83 12.323 4.729 4.850 1.00 0.00 H new ATOM 0 HD2 HIS A 83 13.912 4.399 8.191 1.00 0.00 H new ATOM 0 HE1 HIS A 83 16.660 6.714 5.937 1.00 0.00 H new ATOM 0 HE2 HIS A 83 16.001 5.954 8.276 1.00 0.00 H new ATOM 914 N LYS A 84 10.989 1.772 4.732 1.00 0.00 N ATOM 915 CA LYS A 84 9.878 1.232 3.957 1.00 0.00 C ATOM 916 C LYS A 84 8.836 0.590 4.871 1.00 0.00 C ATOM 917 O LYS A 84 7.639 0.840 4.736 1.00 0.00 O ATOM 918 CB LYS A 84 10.390 0.198 2.952 1.00 0.00 C ATOM 919 CG LYS A 84 11.409 0.748 1.966 1.00 0.00 C ATOM 920 CD LYS A 84 11.949 -0.346 1.059 1.00 0.00 C ATOM 921 CE LYS A 84 12.921 0.209 0.032 1.00 0.00 C ATOM 922 NZ LYS A 84 13.451 -0.855 -0.865 1.00 0.00 N ATOM 0 H LYS A 84 11.890 1.339 4.532 1.00 0.00 H new ATOM 0 HA LYS A 84 9.408 2.056 3.420 1.00 0.00 H new ATOM 0 HB2 LYS A 84 10.838 -0.633 3.497 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.543 -0.205 2.397 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.948 1.529 1.362 1.00 0.00 H new ATOM 0 HG3 LYS A 84 12.232 1.210 2.511 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.449 -1.105 1.661 1.00 0.00 H new ATOM 0 HD3 LYS A 84 11.121 -0.838 0.549 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.421 0.971 -0.566 1.00 0.00 H new ATOM 0 HE3 LYS A 84 13.750 0.698 0.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.110 -0.434 -1.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.950 -1.570 -0.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.663 -1.305 -1.373 1.00 0.00 H new ATOM 936 N LEU A 85 9.305 -0.241 5.795 1.00 0.00 N ATOM 937 CA LEU A 85 8.431 -0.931 6.733 1.00 0.00 C ATOM 938 C LEU A 85 7.611 0.050 7.564 1.00 0.00 C ATOM 939 O LEU A 85 6.487 -0.255 7.966 1.00 0.00 O ATOM 940 CB LEU A 85 9.263 -1.824 7.654 1.00 0.00 C ATOM 941 CG LEU A 85 10.013 -2.960 6.954 1.00 0.00 C ATOM 942 CD1 LEU A 85 10.863 -3.730 7.952 1.00 0.00 C ATOM 943 CD2 LEU A 85 9.034 -3.891 6.254 1.00 0.00 C ATOM 0 H LEU A 85 10.295 -0.454 5.914 1.00 0.00 H new ATOM 0 HA LEU A 85 7.736 -1.542 6.157 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.987 -1.202 8.181 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.605 -2.255 8.408 1.00 0.00 H new ATOM 0 HG LEU A 85 10.673 -2.527 6.202 1.00 0.00 H new ATOM 0 HD11 LEU A 85 11.389 -4.534 7.438 1.00 0.00 H new ATOM 0 HD12 LEU A 85 11.588 -3.056 8.409 1.00 0.00 H new ATOM 0 HD13 LEU A 85 10.222 -4.153 8.726 1.00 0.00 H new ATOM 0 HD21 LEU A 85 9.584 -4.693 5.761 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.350 -4.317 6.987 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.467 -3.330 5.511 1.00 0.00 H new ATOM 955 N GLU A 86 8.178 1.220 7.828 1.00 0.00 N ATOM 956 CA GLU A 86 7.499 2.236 8.622 1.00 0.00 C ATOM 957 C GLU A 86 6.188 2.654 7.968 1.00 0.00 C ATOM 958 O GLU A 86 5.127 2.596 8.589 1.00 0.00 O ATOM 959 CB GLU A 86 8.394 3.454 8.809 1.00 0.00 C ATOM 960 CG GLU A 86 7.804 4.490 9.746 1.00 0.00 C ATOM 961 CD GLU A 86 7.590 3.966 11.155 1.00 0.00 C ATOM 962 OE1 GLU A 86 7.959 2.803 11.423 1.00 0.00 O ATOM 963 OE2 GLU A 86 7.059 4.724 11.993 1.00 0.00 O ATOM 0 H GLU A 86 9.107 1.489 7.504 1.00 0.00 H new ATOM 0 HA GLU A 86 7.278 1.804 9.598 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.360 3.131 9.197 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.578 3.914 7.838 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.465 5.356 9.783 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.851 4.834 9.344 1.00 0.00 H new ATOM 970 N ASN A 87 6.267 3.072 6.710 1.00 0.00 N ATOM 971 CA ASN A 87 5.093 3.495 5.971 1.00 0.00 C ATOM 972 C ASN A 87 4.162 2.318 5.706 1.00 0.00 C ATOM 973 O ASN A 87 2.941 2.467 5.732 1.00 0.00 O ATOM 974 CB ASN A 87 5.511 4.143 4.657 1.00 0.00 C ATOM 975 CG ASN A 87 6.349 5.390 4.864 1.00 0.00 C ATOM 976 OD1 ASN A 87 5.921 6.334 5.529 1.00 0.00 O ATOM 977 ND2 ASN A 87 7.545 5.403 4.288 1.00 0.00 N ATOM 0 H ASN A 87 7.138 3.126 6.182 1.00 0.00 H new ATOM 0 HA ASN A 87 4.552 4.225 6.573 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.076 3.424 4.065 1.00 0.00 H new ATOM 0 HB3 ASN A 87 4.621 4.399 4.083 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.150 6.218 4.388 1.00 0.00 H new ATOM 0 HD22 ASN A 87 7.859 4.598 3.746 1.00 0.00 H new ATOM 984 N ILE A 88 4.743 1.148 5.453 1.00 0.00 N ATOM 985 CA ILE A 88 3.949 -0.049 5.189 1.00 0.00 C ATOM 986 C ILE A 88 3.036 -0.362 6.369 1.00 0.00 C ATOM 987 O ILE A 88 1.864 -0.693 6.189 1.00 0.00 O ATOM 988 CB ILE A 88 4.839 -1.277 4.897 1.00 0.00 C ATOM 989 CG1 ILE A 88 5.614 -1.083 3.591 1.00 0.00 C ATOM 990 CG2 ILE A 88 3.988 -2.538 4.827 1.00 0.00 C ATOM 991 CD1 ILE A 88 6.578 -2.211 3.284 1.00 0.00 C ATOM 0 H ILE A 88 5.752 1.003 5.425 1.00 0.00 H new ATOM 0 HA ILE A 88 3.347 0.160 4.305 1.00 0.00 H new ATOM 0 HB ILE A 88 5.558 -1.384 5.709 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.905 -0.988 2.768 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.169 -0.146 3.643 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.627 -3.397 4.621 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.477 -2.686 5.779 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.250 -2.435 4.031 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.091 -2.005 2.345 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.310 -2.293 4.087 1.00 0.00 H new ATOM 0 HD13 ILE A 88 6.027 -3.148 3.199 1.00 0.00 H new ATOM 1003 N GLY A 89 3.580 -0.250 7.577 1.00 0.00 N ATOM 1004 CA GLY A 89 2.801 -0.520 8.770 1.00 0.00 C ATOM 1005 C GLY A 89 1.634 0.435 8.924 1.00 0.00 C ATOM 1006 O GLY A 89 0.523 0.018 9.249 1.00 0.00 O ATOM 0 H GLY A 89 4.547 0.023 7.750 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.428 -1.543 8.733 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.445 -0.447 9.646 1.00 0.00 H new ATOM 1010 N ASN A 90 1.887 1.718 8.689 1.00 0.00 N ATOM 1011 CA ASN A 90 0.851 2.738 8.801 1.00 0.00 C ATOM 1012 C ASN A 90 -0.235 2.531 7.750 1.00 0.00 C ATOM 1013 O ASN A 90 -1.426 2.652 8.040 1.00 0.00 O ATOM 1014 CB ASN A 90 1.459 4.134 8.651 1.00 0.00 C ATOM 1015 CG ASN A 90 2.486 4.437 9.722 1.00 0.00 C ATOM 1016 OD1 ASN A 90 3.694 4.783 9.299 1.00 0.00 O flip ATOM 1017 ND2 ASN A 90 2.194 4.369 10.917 1.00 0.00 N flip ATOM 0 H ASN A 90 2.803 2.077 8.419 1.00 0.00 H new ATOM 0 HA ASN A 90 0.398 2.650 9.789 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.926 4.220 7.670 1.00 0.00 H new ATOM 0 HB3 ASN A 90 0.665 4.879 8.693 1.00 0.00 H new ATOM 0 HD21 ASN A 90 1.251 4.098 11.197 1.00 0.00 H new ATOM 0 HD22 ASN A 90 2.895 4.583 11.626 1.00 0.00 H new ATOM 1024 N PHE A 91 0.184 2.222 6.526 1.00 0.00 N ATOM 1025 CA PHE A 91 -0.748 2.002 5.426 1.00 0.00 C ATOM 1026 C PHE A 91 -1.678 0.828 5.717 1.00 0.00 C ATOM 1027 O PHE A 91 -2.897 0.946 5.600 1.00 0.00 O ATOM 1028 CB PHE A 91 0.021 1.748 4.127 1.00 0.00 C ATOM 1029 CG PHE A 91 -0.860 1.435 2.949 1.00 0.00 C ATOM 1030 CD1 PHE A 91 -1.931 2.254 2.627 1.00 0.00 C ATOM 1031 CD2 PHE A 91 -0.616 0.319 2.166 1.00 0.00 C ATOM 1032 CE1 PHE A 91 -2.742 1.966 1.546 1.00 0.00 C ATOM 1033 CE2 PHE A 91 -1.424 0.024 1.083 1.00 0.00 C ATOM 1034 CZ PHE A 91 -2.488 0.849 0.774 1.00 0.00 C ATOM 0 H PHE A 91 1.166 2.118 6.271 1.00 0.00 H new ATOM 0 HA PHE A 91 -1.356 2.900 5.316 1.00 0.00 H new ATOM 0 HB2 PHE A 91 0.623 2.627 3.895 1.00 0.00 H new ATOM 0 HB3 PHE A 91 0.712 0.920 4.282 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.134 3.128 3.228 1.00 0.00 H new ATOM 0 HD2 PHE A 91 0.215 -0.329 2.404 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.573 2.613 1.305 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -1.224 -0.849 0.480 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.121 0.621 -0.071 1.00 0.00 H new ATOM 1044 N LEU A 92 -1.093 -0.306 6.092 1.00 0.00 N ATOM 1045 CA LEU A 92 -1.871 -1.503 6.394 1.00 0.00 C ATOM 1046 C LEU A 92 -2.760 -1.289 7.610 1.00 0.00 C ATOM 1047 O LEU A 92 -3.935 -1.643 7.596 1.00 0.00 O ATOM 1048 CB LEU A 92 -0.942 -2.692 6.620 1.00 0.00 C ATOM 1049 CG LEU A 92 -0.160 -3.127 5.383 1.00 0.00 C ATOM 1050 CD1 LEU A 92 0.879 -4.175 5.746 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -1.106 -3.657 4.318 1.00 0.00 C ATOM 0 H LEU A 92 -0.085 -0.421 6.194 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.515 -1.713 5.540 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.236 -2.440 7.411 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.532 -3.536 6.977 1.00 0.00 H new ATOM 0 HG LEU A 92 0.360 -2.258 4.981 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.425 -4.471 4.850 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.575 -3.760 6.475 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.383 -5.046 6.173 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.533 -3.963 3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.653 -4.514 4.711 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.811 -2.875 4.035 1.00 0.00 H new ATOM 1063 N ARG A 93 -2.200 -0.699 8.657 1.00 0.00 N ATOM 1064 CA ARG A 93 -2.961 -0.434 9.870 1.00 0.00 C ATOM 1065 C ARG A 93 -4.158 0.454 9.556 1.00 0.00 C ATOM 1066 O ARG A 93 -5.236 0.292 10.126 1.00 0.00 O ATOM 1067 CB ARG A 93 -2.076 0.231 10.923 1.00 0.00 C ATOM 1068 CG ARG A 93 -2.806 0.541 12.220 1.00 0.00 C ATOM 1069 CD ARG A 93 -3.443 -0.701 12.812 1.00 0.00 C ATOM 1070 NE ARG A 93 -4.168 -0.412 14.046 1.00 0.00 N ATOM 1071 CZ ARG A 93 -4.813 -1.334 14.756 1.00 0.00 C ATOM 1072 NH1 ARG A 93 -4.824 -2.598 14.355 1.00 0.00 N ATOM 1073 NH2 ARG A 93 -5.449 -0.990 15.867 1.00 0.00 N ATOM 0 H ARG A 93 -1.227 -0.396 8.691 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.320 -1.384 10.267 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -1.229 -0.421 11.139 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.670 1.156 10.514 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.107 0.970 12.938 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -3.574 1.292 12.035 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -4.127 -1.139 12.085 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -2.671 -1.444 13.011 1.00 0.00 H new ATOM 0 HE ARG A 93 -4.181 0.551 14.383 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -4.337 -2.866 13.500 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -5.319 -3.302 14.902 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -5.444 -0.018 16.178 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -5.943 -1.697 16.411 1.00 0.00 H new ATOM 1087 N ALA A 94 -3.951 1.391 8.639 1.00 0.00 N ATOM 1088 CA ALA A 94 -4.999 2.316 8.231 1.00 0.00 C ATOM 1089 C ALA A 94 -6.089 1.614 7.426 1.00 0.00 C ATOM 1090 O ALA A 94 -7.274 1.857 7.640 1.00 0.00 O ATOM 1091 CB ALA A 94 -4.405 3.463 7.426 1.00 0.00 C ATOM 0 H ALA A 94 -3.060 1.530 8.162 1.00 0.00 H new ATOM 0 HA ALA A 94 -5.460 2.714 9.135 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.199 4.147 7.127 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.677 3.997 8.036 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.913 3.067 6.537 1.00 0.00 H new ATOM 1097 N ILE A 95 -5.686 0.752 6.492 1.00 0.00 N ATOM 1098 CA ILE A 95 -6.647 0.034 5.657 1.00 0.00 C ATOM 1099 C ILE A 95 -7.395 -1.028 6.461 1.00 0.00 C ATOM 1100 O ILE A 95 -8.602 -1.208 6.294 1.00 0.00 O ATOM 1101 CB ILE A 95 -5.977 -0.622 4.428 1.00 0.00 C ATOM 1102 CG1 ILE A 95 -5.054 -1.772 4.849 1.00 0.00 C ATOM 1103 CG2 ILE A 95 -5.204 0.421 3.634 1.00 0.00 C ATOM 1104 CD1 ILE A 95 -4.433 -2.509 3.681 1.00 0.00 C ATOM 0 H ILE A 95 -4.709 0.536 6.296 1.00 0.00 H new ATOM 0 HA ILE A 95 -7.359 0.778 5.299 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.760 -1.038 3.794 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.260 -1.376 5.482 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.621 -2.479 5.454 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.736 -0.052 2.771 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -5.887 1.200 3.295 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -4.434 0.863 4.267 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -3.793 -3.309 4.054 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.221 -2.935 3.059 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -3.838 -1.815 3.088 1.00 0.00 H new ATOM 1116 N LYS A 96 -6.676 -1.719 7.341 1.00 0.00 N ATOM 1117 CA LYS A 96 -7.271 -2.749 8.179 1.00 0.00 C ATOM 1118 C LYS A 96 -8.364 -2.145 9.053 1.00 0.00 C ATOM 1119 O LYS A 96 -9.423 -2.740 9.251 1.00 0.00 O ATOM 1120 CB LYS A 96 -6.198 -3.408 9.053 1.00 0.00 C ATOM 1121 CG LYS A 96 -5.180 -4.224 8.273 1.00 0.00 C ATOM 1122 CD LYS A 96 -4.166 -4.897 9.191 1.00 0.00 C ATOM 1123 CE LYS A 96 -4.837 -5.860 10.157 1.00 0.00 C ATOM 1124 NZ LYS A 96 -3.851 -6.520 11.058 1.00 0.00 N ATOM 0 H LYS A 96 -5.676 -1.582 7.491 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.714 -3.511 7.538 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.675 -2.633 9.614 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.685 -4.055 9.782 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.697 -4.983 7.685 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -4.658 -3.576 7.569 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.432 -5.435 8.591 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -3.623 -4.137 9.753 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -5.572 -5.321 10.755 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -5.380 -6.620 9.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -4.348 -7.169 11.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -3.165 -7.055 10.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -3.351 -5.797 11.614 1.00 0.00 H new ATOM 1138 N HIS A 97 -8.093 -0.948 9.560 1.00 0.00 N ATOM 1139 CA HIS A 97 -9.038 -0.229 10.405 1.00 0.00 C ATOM 1140 C HIS A 97 -10.100 0.446 9.549 1.00 0.00 C ATOM 1141 O HIS A 97 -11.263 0.548 9.941 1.00 0.00 O ATOM 1142 CB HIS A 97 -8.301 0.818 11.240 1.00 0.00 C ATOM 1143 CG HIS A 97 -9.171 1.523 12.233 1.00 0.00 C ATOM 1144 ND1 HIS A 97 -10.293 2.243 11.877 1.00 0.00 N ATOM 1145 CD2 HIS A 97 -9.078 1.619 13.580 1.00 0.00 C ATOM 1146 CE1 HIS A 97 -10.849 2.751 12.962 1.00 0.00 C ATOM 1147 NE2 HIS A 97 -10.132 2.386 14.009 1.00 0.00 N ATOM 0 H HIS A 97 -7.217 -0.451 9.398 1.00 0.00 H new ATOM 0 HA HIS A 97 -9.523 -0.941 11.073 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.480 0.334 11.770 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -7.858 1.556 10.571 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -8.315 1.174 14.202 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -11.739 3.362 12.988 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -10.329 2.634 14.979 1.00 0.00 H new ATOM 1156 N TYR A 98 -9.678 0.913 8.379 1.00 0.00 N ATOM 1157 CA TYR A 98 -10.571 1.593 7.446 1.00 0.00 C ATOM 1158 C TYR A 98 -11.823 0.764 7.192 1.00 0.00 C ATOM 1159 O TYR A 98 -12.935 1.291 7.177 1.00 0.00 O ATOM 1160 CB TYR A 98 -9.847 1.860 6.123 1.00 0.00 C ATOM 1161 CG TYR A 98 -10.668 2.642 5.120 1.00 0.00 C ATOM 1162 CD1 TYR A 98 -11.175 3.897 5.436 1.00 0.00 C ATOM 1163 CD2 TYR A 98 -10.926 2.129 3.854 1.00 0.00 C ATOM 1164 CE1 TYR A 98 -11.918 4.617 4.522 1.00 0.00 C ATOM 1165 CE2 TYR A 98 -11.667 2.846 2.933 1.00 0.00 C ATOM 1166 CZ TYR A 98 -12.160 4.088 3.272 1.00 0.00 C ATOM 1167 OH TYR A 98 -12.897 4.804 2.356 1.00 0.00 O ATOM 0 H TYR A 98 -8.715 0.832 8.052 1.00 0.00 H new ATOM 0 HA TYR A 98 -10.869 2.543 7.891 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -8.926 2.406 6.328 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.560 0.907 5.679 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -10.984 4.316 6.413 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.542 1.156 3.586 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -12.308 5.589 4.785 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -11.859 2.435 1.953 1.00 0.00 H new ATOM 0 HH TYR A 98 -13.178 4.212 1.628 1.00 0.00 H new ATOM 1177 N GLY A 99 -11.634 -0.535 6.991 1.00 0.00 N ATOM 1178 CA GLY A 99 -12.761 -1.414 6.739 1.00 0.00 C ATOM 1179 C GLY A 99 -12.338 -2.778 6.234 1.00 0.00 C ATOM 1180 O GLY A 99 -12.887 -3.798 6.651 1.00 0.00 O ATOM 0 H GLY A 99 -10.723 -0.994 6.998 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -13.336 -1.533 7.658 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -13.422 -0.949 6.008 1.00 0.00 H new ATOM 1184 N VAL A 100 -11.365 -2.797 5.327 1.00 0.00 N ATOM 1185 CA VAL A 100 -10.875 -4.047 4.759 1.00 0.00 C ATOM 1186 C VAL A 100 -10.422 -5.003 5.857 1.00 0.00 C ATOM 1187 O VAL A 100 -9.648 -4.631 6.737 1.00 0.00 O ATOM 1188 CB VAL A 100 -9.702 -3.805 3.789 1.00 0.00 C ATOM 1189 CG1 VAL A 100 -9.308 -5.102 3.097 1.00 0.00 C ATOM 1190 CG2 VAL A 100 -10.069 -2.744 2.762 1.00 0.00 C ATOM 0 H VAL A 100 -10.901 -1.961 4.971 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.704 -4.492 4.208 1.00 0.00 H new ATOM 0 HB VAL A 100 -8.848 -3.447 4.364 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -8.478 -4.913 2.416 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -9.004 -5.835 3.844 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -10.159 -5.488 2.535 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -9.229 -2.586 2.086 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -10.937 -3.075 2.192 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -10.304 -1.810 3.272 1.00 0.00 H new ATOM 1200 N LYS A 101 -10.912 -6.238 5.797 1.00 0.00 N ATOM 1201 CA LYS A 101 -10.556 -7.248 6.784 1.00 0.00 C ATOM 1202 C LYS A 101 -9.130 -7.745 6.572 1.00 0.00 C ATOM 1203 O LYS A 101 -8.664 -7.850 5.438 1.00 0.00 O ATOM 1204 CB LYS A 101 -11.528 -8.424 6.728 1.00 0.00 C ATOM 1205 CG LYS A 101 -11.643 -9.042 5.345 1.00 0.00 C ATOM 1206 CD LYS A 101 -12.662 -10.173 5.316 1.00 0.00 C ATOM 1207 CE LYS A 101 -14.060 -9.679 5.654 1.00 0.00 C ATOM 1208 NZ LYS A 101 -15.058 -10.783 5.635 1.00 0.00 N ATOM 0 H LYS A 101 -11.556 -6.562 5.075 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.618 -6.784 7.768 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.204 -9.188 7.434 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -12.513 -8.088 7.052 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -11.931 -8.275 4.626 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -10.670 -9.421 5.034 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -12.667 -10.633 4.328 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.368 -10.946 6.026 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -14.052 -9.213 6.640 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -14.356 -8.910 4.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -15.998 -10.405 5.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -15.084 -11.211 4.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -14.790 -11.505 6.334 1.00 0.00 H new ATOM 1222 N PRO A 102 -8.423 -8.065 7.666 1.00 0.00 N ATOM 1223 CA PRO A 102 -7.043 -8.564 7.612 1.00 0.00 C ATOM 1224 C PRO A 102 -6.903 -9.777 6.697 1.00 0.00 C ATOM 1225 O PRO A 102 -5.893 -9.933 6.010 1.00 0.00 O ATOM 1226 CB PRO A 102 -6.742 -8.955 9.065 1.00 0.00 C ATOM 1227 CG PRO A 102 -8.073 -9.002 9.741 1.00 0.00 C ATOM 1228 CD PRO A 102 -8.910 -7.981 9.049 1.00 0.00 C ATOM 0 HA PRO A 102 -6.358 -7.818 7.209 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.240 -9.921 9.117 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -6.084 -8.227 9.540 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.518 -9.994 9.661 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.981 -8.779 10.804 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -9.973 -8.210 9.121 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.769 -6.986 9.470 1.00 0.00 H new ATOM 1236 N HIS A 103 -7.921 -10.633 6.697 1.00 0.00 N ATOM 1237 CA HIS A 103 -7.919 -11.836 5.869 1.00 0.00 C ATOM 1238 C HIS A 103 -7.648 -11.493 4.407 1.00 0.00 C ATOM 1239 O HIS A 103 -7.113 -12.308 3.656 1.00 0.00 O ATOM 1240 CB HIS A 103 -9.256 -12.567 5.997 1.00 0.00 C ATOM 1241 CG HIS A 103 -9.328 -13.833 5.199 1.00 0.00 C ATOM 1242 ND1 HIS A 103 -8.470 -14.895 5.393 1.00 0.00 N ATOM 1243 CD2 HIS A 103 -10.162 -14.203 4.199 1.00 0.00 C ATOM 1244 CE1 HIS A 103 -8.773 -15.863 4.547 1.00 0.00 C ATOM 1245 NE2 HIS A 103 -9.796 -15.469 3.811 1.00 0.00 N ATOM 0 H HIS A 103 -8.761 -10.515 7.263 1.00 0.00 H new ATOM 0 HA HIS A 103 -7.120 -12.489 6.221 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.434 -12.799 7.047 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.057 -11.900 5.677 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -10.965 -13.613 3.784 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -8.269 -16.815 4.470 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -10.242 -16.016 3.074 1.00 0.00 H new ATOM 1254 N ASP A 104 -8.016 -10.278 4.014 1.00 0.00 N ATOM 1255 CA ASP A 104 -7.812 -9.816 2.651 1.00 0.00 C ATOM 1256 C ASP A 104 -6.826 -8.660 2.646 1.00 0.00 C ATOM 1257 O ASP A 104 -7.000 -7.675 1.926 1.00 0.00 O ATOM 1258 CB ASP A 104 -9.141 -9.377 2.038 1.00 0.00 C ATOM 1259 CG ASP A 104 -10.123 -10.523 1.901 1.00 0.00 C ATOM 1260 OD1 ASP A 104 -9.797 -11.504 1.198 1.00 0.00 O ATOM 1261 OD2 ASP A 104 -11.218 -10.441 2.495 1.00 0.00 O ATOM 0 H ASP A 104 -8.460 -9.594 4.627 1.00 0.00 H new ATOM 0 HA ASP A 104 -7.408 -10.634 2.054 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -9.583 -8.596 2.657 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -8.958 -8.940 1.056 1.00 0.00 H new ATOM 1266 N ILE A 105 -5.797 -8.785 3.474 1.00 0.00 N ATOM 1267 CA ILE A 105 -4.781 -7.753 3.599 1.00 0.00 C ATOM 1268 C ILE A 105 -3.406 -8.358 3.858 1.00 0.00 C ATOM 1269 O ILE A 105 -3.239 -9.184 4.756 1.00 0.00 O ATOM 1270 CB ILE A 105 -5.125 -6.792 4.750 1.00 0.00 C ATOM 1271 CG1 ILE A 105 -6.460 -6.098 4.485 1.00 0.00 C ATOM 1272 CG2 ILE A 105 -4.020 -5.769 4.938 1.00 0.00 C ATOM 1273 CD1 ILE A 105 -6.953 -5.269 5.649 1.00 0.00 C ATOM 0 H ILE A 105 -5.645 -9.597 4.072 1.00 0.00 H new ATOM 0 HA ILE A 105 -4.758 -7.207 2.656 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.215 -7.372 5.669 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.359 -5.456 3.610 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.210 -6.851 4.243 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -4.281 -5.098 5.756 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.086 -6.281 5.172 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.898 -5.193 4.021 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -7.905 -4.806 5.389 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -7.087 -5.909 6.521 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -6.223 -4.493 5.878 1.00 0.00 H new ATOM 1285 N PHE A 106 -2.424 -7.933 3.071 1.00 0.00 N ATOM 1286 CA PHE A 106 -1.062 -8.426 3.222 1.00 0.00 C ATOM 1287 C PHE A 106 -0.371 -7.748 4.392 1.00 0.00 C ATOM 1288 O PHE A 106 -0.573 -6.561 4.643 1.00 0.00 O ATOM 1289 CB PHE A 106 -0.261 -8.195 1.940 1.00 0.00 C ATOM 1290 CG PHE A 106 -0.100 -6.744 1.575 1.00 0.00 C ATOM 1291 CD1 PHE A 106 0.944 -5.995 2.097 1.00 0.00 C ATOM 1292 CD2 PHE A 106 -0.994 -6.129 0.714 1.00 0.00 C ATOM 1293 CE1 PHE A 106 1.092 -4.662 1.765 1.00 0.00 C ATOM 1294 CE2 PHE A 106 -0.851 -4.795 0.380 1.00 0.00 C ATOM 1295 CZ PHE A 106 0.195 -4.061 0.906 1.00 0.00 C ATOM 0 H PHE A 106 -2.546 -7.250 2.324 1.00 0.00 H new ATOM 0 HA PHE A 106 -1.112 -9.497 3.418 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.726 -8.642 2.054 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -0.753 -8.714 1.117 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.649 -6.459 2.771 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -1.812 -6.698 0.299 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.910 -4.090 2.178 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -1.556 -4.327 -0.291 1.00 0.00 H new ATOM 0 HZ PHE A 106 0.310 -3.019 0.645 1.00 0.00 H new ATOM 1305 N GLU A 107 0.450 -8.505 5.099 1.00 0.00 N ATOM 1306 CA GLU A 107 1.184 -7.970 6.238 1.00 0.00 C ATOM 1307 C GLU A 107 2.445 -7.267 5.774 1.00 0.00 C ATOM 1308 O GLU A 107 2.959 -7.547 4.691 1.00 0.00 O ATOM 1309 CB GLU A 107 1.542 -9.074 7.229 1.00 0.00 C ATOM 1310 CG GLU A 107 0.337 -9.786 7.793 1.00 0.00 C ATOM 1311 CD GLU A 107 0.704 -10.841 8.818 1.00 0.00 C ATOM 1312 OE1 GLU A 107 1.441 -11.785 8.461 1.00 0.00 O ATOM 1313 OE2 GLU A 107 0.255 -10.726 9.977 1.00 0.00 O ATOM 0 H GLU A 107 0.627 -9.491 4.907 1.00 0.00 H new ATOM 0 HA GLU A 107 0.539 -7.250 6.741 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.186 -9.801 6.735 1.00 0.00 H new ATOM 0 HB3 GLU A 107 2.117 -8.644 8.049 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.329 -9.055 8.253 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.217 -10.254 6.979 1.00 0.00 H new ATOM 1320 N ALA A 108 2.944 -6.357 6.599 1.00 0.00 N ATOM 1321 CA ALA A 108 4.153 -5.620 6.274 1.00 0.00 C ATOM 1322 C ALA A 108 5.272 -6.573 5.873 1.00 0.00 C ATOM 1323 O ALA A 108 6.207 -6.189 5.169 1.00 0.00 O ATOM 1324 CB ALA A 108 4.579 -4.760 7.453 1.00 0.00 C ATOM 0 H ALA A 108 2.529 -6.113 7.498 1.00 0.00 H new ATOM 0 HA ALA A 108 3.943 -4.967 5.427 1.00 0.00 H new ATOM 0 HB1 ALA A 108 5.486 -4.213 7.196 1.00 0.00 H new ATOM 0 HB2 ALA A 108 3.785 -4.053 7.693 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.772 -5.396 8.317 1.00 0.00 H new ATOM 1330 N ASN A 109 5.172 -7.821 6.327 1.00 0.00 N ATOM 1331 CA ASN A 109 6.170 -8.828 6.020 1.00 0.00 C ATOM 1332 C ASN A 109 5.929 -9.451 4.648 1.00 0.00 C ATOM 1333 O ASN A 109 6.871 -9.746 3.919 1.00 0.00 O ATOM 1334 CB ASN A 109 6.153 -9.915 7.089 1.00 0.00 C ATOM 1335 CG ASN A 109 6.448 -9.372 8.474 1.00 0.00 C ATOM 1336 OD1 ASN A 109 7.515 -8.808 8.718 1.00 0.00 O ATOM 1337 ND2 ASN A 109 5.501 -9.540 9.389 1.00 0.00 N ATOM 0 H ASN A 109 4.404 -8.154 6.911 1.00 0.00 H new ATOM 0 HA ASN A 109 7.146 -8.342 6.004 1.00 0.00 H new ATOM 0 HB2 ASN A 109 5.177 -10.401 7.093 1.00 0.00 H new ATOM 0 HB3 ASN A 109 6.889 -10.679 6.837 1.00 0.00 H new ATOM 0 HD21 ASN A 109 5.643 -9.196 10.339 1.00 0.00 H new ATOM 0 HD22 ASN A 109 4.632 -10.013 9.142 1.00 0.00 H new ATOM 1344 N ASP A 110 4.662 -9.661 4.312 1.00 0.00 N ATOM 1345 CA ASP A 110 4.298 -10.265 3.033 1.00 0.00 C ATOM 1346 C ASP A 110 4.847 -9.462 1.856 1.00 0.00 C ATOM 1347 O ASP A 110 5.473 -10.018 0.952 1.00 0.00 O ATOM 1348 CB ASP A 110 2.777 -10.380 2.918 1.00 0.00 C ATOM 1349 CG ASP A 110 2.174 -11.246 4.007 1.00 0.00 C ATOM 1350 OD1 ASP A 110 2.940 -11.761 4.849 1.00 0.00 O ATOM 1351 OD2 ASP A 110 0.936 -11.410 4.018 1.00 0.00 O ATOM 0 H ASP A 110 3.868 -9.422 4.906 1.00 0.00 H new ATOM 0 HA ASP A 110 4.742 -11.260 2.999 1.00 0.00 H new ATOM 0 HB2 ASP A 110 2.336 -9.384 2.965 1.00 0.00 H new ATOM 0 HB3 ASP A 110 2.520 -10.796 1.944 1.00 0.00 H new ATOM 1356 N LEU A 111 4.605 -8.155 1.868 1.00 0.00 N ATOM 1357 CA LEU A 111 5.068 -7.281 0.795 1.00 0.00 C ATOM 1358 C LEU A 111 6.584 -7.102 0.832 1.00 0.00 C ATOM 1359 O LEU A 111 7.255 -7.204 -0.196 1.00 0.00 O ATOM 1360 CB LEU A 111 4.383 -5.915 0.892 1.00 0.00 C ATOM 1361 CG LEU A 111 4.816 -4.893 -0.163 1.00 0.00 C ATOM 1362 CD1 LEU A 111 4.504 -5.401 -1.565 1.00 0.00 C ATOM 1363 CD2 LEU A 111 4.136 -3.553 0.084 1.00 0.00 C ATOM 0 H LEU A 111 4.091 -7.678 2.609 1.00 0.00 H new ATOM 0 HA LEU A 111 4.805 -7.753 -0.152 1.00 0.00 H new ATOM 0 HB2 LEU A 111 3.306 -6.060 0.814 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.577 -5.498 1.880 1.00 0.00 H new ATOM 0 HG LEU A 111 5.894 -4.753 -0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.820 -4.660 -2.299 1.00 0.00 H new ATOM 0 HD12 LEU A 111 5.037 -6.335 -1.740 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.432 -5.572 -1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.455 -2.838 -0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 111 3.055 -3.679 0.033 1.00 0.00 H new ATOM 0 HD23 LEU A 111 4.411 -3.182 1.071 1.00 0.00 H new ATOM 1375 N PHE A 112 7.115 -6.822 2.017 1.00 0.00 N ATOM 1376 CA PHE A 112 8.551 -6.614 2.184 1.00 0.00 C ATOM 1377 C PHE A 112 9.350 -7.850 1.775 1.00 0.00 C ATOM 1378 O PHE A 112 10.352 -7.743 1.068 1.00 0.00 O ATOM 1379 CB PHE A 112 8.869 -6.245 3.634 1.00 0.00 C ATOM 1380 CG PHE A 112 10.324 -5.958 3.881 1.00 0.00 C ATOM 1381 CD1 PHE A 112 11.006 -5.034 3.102 1.00 0.00 C ATOM 1382 CD2 PHE A 112 11.008 -6.610 4.894 1.00 0.00 C ATOM 1383 CE1 PHE A 112 12.343 -4.769 3.329 1.00 0.00 C ATOM 1384 CE2 PHE A 112 12.346 -6.347 5.126 1.00 0.00 C ATOM 1385 CZ PHE A 112 13.014 -5.426 4.343 1.00 0.00 C ATOM 0 H PHE A 112 6.574 -6.734 2.877 1.00 0.00 H new ATOM 0 HA PHE A 112 8.843 -5.793 1.530 1.00 0.00 H new ATOM 0 HB2 PHE A 112 8.283 -5.370 3.913 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.553 -7.061 4.284 1.00 0.00 H new ATOM 0 HD1 PHE A 112 10.486 -4.516 2.310 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.491 -7.331 5.509 1.00 0.00 H new ATOM 0 HE1 PHE A 112 12.863 -4.049 2.715 1.00 0.00 H new ATOM 0 HE2 PHE A 112 12.868 -6.862 5.919 1.00 0.00 H new ATOM 0 HZ PHE A 112 14.059 -5.220 4.523 1.00 0.00 H new ATOM 1395 N GLU A 113 8.902 -9.021 2.218 1.00 0.00 N ATOM 1396 CA GLU A 113 9.577 -10.271 1.891 1.00 0.00 C ATOM 1397 C GLU A 113 9.230 -10.709 0.477 1.00 0.00 C ATOM 1398 O GLU A 113 9.931 -11.522 -0.124 1.00 0.00 O ATOM 1399 CB GLU A 113 9.197 -11.366 2.890 1.00 0.00 C ATOM 1400 CG GLU A 113 9.600 -11.056 4.317 1.00 0.00 C ATOM 1401 CD GLU A 113 9.209 -12.153 5.288 1.00 0.00 C ATOM 1402 OE1 GLU A 113 8.617 -13.159 4.843 1.00 0.00 O ATOM 1403 OE2 GLU A 113 9.495 -12.006 6.495 1.00 0.00 O ATOM 0 H GLU A 113 8.074 -9.130 2.804 1.00 0.00 H new ATOM 0 HA GLU A 113 10.652 -10.104 1.951 1.00 0.00 H new ATOM 0 HB2 GLU A 113 8.119 -11.522 2.852 1.00 0.00 H new ATOM 0 HB3 GLU A 113 9.665 -12.302 2.585 1.00 0.00 H new ATOM 0 HG2 GLU A 113 10.679 -10.905 4.361 1.00 0.00 H new ATOM 0 HG3 GLU A 113 9.135 -10.120 4.626 1.00 0.00 H new ATOM 1410 N ASN A 114 8.130 -10.168 -0.040 1.00 0.00 N ATOM 1411 CA ASN A 114 7.666 -10.500 -1.379 1.00 0.00 C ATOM 1412 C ASN A 114 7.272 -11.969 -1.456 1.00 0.00 C ATOM 1413 O ASN A 114 7.440 -12.619 -2.488 1.00 0.00 O ATOM 1414 CB ASN A 114 8.752 -10.190 -2.412 1.00 0.00 C ATOM 1415 CG ASN A 114 9.100 -8.717 -2.459 1.00 0.00 C ATOM 1416 OD1 ASN A 114 9.527 -8.138 -1.462 1.00 0.00 O ATOM 1417 ND2 ASN A 114 8.920 -8.103 -3.623 1.00 0.00 N ATOM 0 H ASN A 114 7.543 -9.495 0.453 1.00 0.00 H new ATOM 0 HA ASN A 114 6.789 -9.892 -1.601 1.00 0.00 H new ATOM 0 HB2 ASN A 114 9.648 -10.765 -2.177 1.00 0.00 H new ATOM 0 HB3 ASN A 114 8.415 -10.513 -3.397 1.00 0.00 H new ATOM 0 HD21 ASN A 114 9.139 -7.111 -3.716 1.00 0.00 H new ATOM 0 HD22 ASN A 114 8.563 -8.624 -4.424 1.00 0.00 H new ATOM 1424 N THR A 115 6.744 -12.483 -0.351 1.00 0.00 N ATOM 1425 CA THR A 115 6.320 -13.876 -0.287 1.00 0.00 C ATOM 1426 C THR A 115 4.867 -14.034 -0.731 1.00 0.00 C ATOM 1427 O THR A 115 4.550 -14.884 -1.562 1.00 0.00 O ATOM 1428 CB THR A 115 6.475 -14.445 1.135 1.00 0.00 C ATOM 1429 OG1 THR A 115 5.700 -13.673 2.061 1.00 0.00 O ATOM 1430 CG2 THR A 115 7.934 -14.441 1.563 1.00 0.00 C ATOM 0 H THR A 115 6.600 -11.957 0.511 1.00 0.00 H new ATOM 0 HA THR A 115 6.965 -14.433 -0.966 1.00 0.00 H new ATOM 0 HB THR A 115 6.116 -15.474 1.131 1.00 0.00 H new ATOM 0 HG1 THR A 115 4.791 -14.037 2.110 1.00 0.00 H new ATOM 0 HG21 THR A 115 8.019 -14.847 2.571 1.00 0.00 H new ATOM 0 HG22 THR A 115 8.517 -15.053 0.875 1.00 0.00 H new ATOM 0 HG23 THR A 115 8.314 -13.419 1.551 1.00 0.00 H new ATOM 1438 N ASN A 116 3.990 -13.211 -0.164 1.00 0.00 N ATOM 1439 CA ASN A 116 2.568 -13.257 -0.488 1.00 0.00 C ATOM 1440 C ASN A 116 2.215 -12.302 -1.629 1.00 0.00 C ATOM 1441 O ASN A 116 1.401 -11.395 -1.456 1.00 0.00 O ATOM 1442 CB ASN A 116 1.732 -12.922 0.749 1.00 0.00 C ATOM 1443 CG ASN A 116 1.950 -13.905 1.880 1.00 0.00 C ATOM 1444 OD1 ASN A 116 3.072 -14.091 2.350 1.00 0.00 O ATOM 1445 ND2 ASN A 116 0.873 -14.535 2.327 1.00 0.00 N ATOM 0 H ASN A 116 4.241 -12.502 0.525 1.00 0.00 H new ATOM 0 HA ASN A 116 2.339 -14.271 -0.817 1.00 0.00 H new ATOM 0 HB2 ASN A 116 1.982 -11.918 1.091 1.00 0.00 H new ATOM 0 HB3 ASN A 116 0.676 -12.913 0.478 1.00 0.00 H new ATOM 0 HD21 ASN A 116 0.955 -15.206 3.091 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -0.038 -14.349 1.907 1.00 0.00 H new ATOM 1452 N HIS A 117 2.827 -12.510 -2.793 1.00 0.00 N ATOM 1453 CA HIS A 117 2.563 -11.664 -3.956 1.00 0.00 C ATOM 1454 C HIS A 117 1.069 -11.597 -4.260 1.00 0.00 C ATOM 1455 O HIS A 117 0.507 -10.514 -4.427 1.00 0.00 O ATOM 1456 CB HIS A 117 3.310 -12.190 -5.185 1.00 0.00 C ATOM 1457 CG HIS A 117 4.783 -11.922 -5.168 1.00 0.00 C ATOM 1458 ND1 HIS A 117 5.641 -12.396 -6.137 1.00 0.00 N ATOM 1459 CD2 HIS A 117 5.549 -11.208 -4.307 1.00 0.00 C ATOM 1460 CE1 HIS A 117 6.869 -11.987 -5.874 1.00 0.00 C ATOM 1461 NE2 HIS A 117 6.841 -11.264 -4.770 1.00 0.00 N ATOM 0 H HIS A 117 3.506 -13.253 -2.956 1.00 0.00 H new ATOM 0 HA HIS A 117 2.918 -10.661 -3.720 1.00 0.00 H new ATOM 0 HB2 HIS A 117 3.148 -13.265 -5.262 1.00 0.00 H new ATOM 0 HB3 HIS A 117 2.880 -11.738 -6.079 1.00 0.00 H new ATOM 0 HD1 HIS A 117 5.370 -12.973 -6.933 1.00 0.00 H new ATOM 0 HD2 HIS A 117 5.207 -10.692 -3.422 1.00 0.00 H new ATOM 0 HE1 HIS A 117 7.747 -12.207 -6.463 1.00 0.00 H new ATOM 1470 N THR A 118 0.433 -12.761 -4.335 1.00 0.00 N ATOM 1471 CA THR A 118 -0.993 -12.838 -4.624 1.00 0.00 C ATOM 1472 C THR A 118 -1.813 -12.089 -3.580 1.00 0.00 C ATOM 1473 O THR A 118 -2.753 -11.369 -3.916 1.00 0.00 O ATOM 1474 CB THR A 118 -1.473 -14.297 -4.692 1.00 0.00 C ATOM 1475 OG1 THR A 118 -1.195 -14.965 -3.456 1.00 0.00 O ATOM 1476 CG2 THR A 118 -0.792 -15.029 -5.837 1.00 0.00 C ATOM 0 H THR A 118 0.884 -13.666 -4.199 1.00 0.00 H new ATOM 0 HA THR A 118 -1.142 -12.369 -5.597 1.00 0.00 H new ATOM 0 HB THR A 118 -2.549 -14.298 -4.866 1.00 0.00 H new ATOM 0 HG1 THR A 118 -1.506 -15.893 -3.509 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.144 -16.060 -5.870 1.00 0.00 H new ATOM 0 HG22 THR A 118 -1.030 -14.534 -6.778 1.00 0.00 H new ATOM 0 HG23 THR A 118 0.287 -15.019 -5.685 1.00 0.00 H new ATOM 1484 N GLN A 119 -1.449 -12.261 -2.313 1.00 0.00 N ATOM 1485 CA GLN A 119 -2.150 -11.600 -1.221 1.00 0.00 C ATOM 1486 C GLN A 119 -2.162 -10.088 -1.426 1.00 0.00 C ATOM 1487 O GLN A 119 -3.179 -9.431 -1.207 1.00 0.00 O ATOM 1488 CB GLN A 119 -1.488 -11.944 0.112 1.00 0.00 C ATOM 1489 CG GLN A 119 -2.171 -11.317 1.315 1.00 0.00 C ATOM 1490 CD GLN A 119 -3.611 -11.767 1.469 1.00 0.00 C ATOM 1491 OE1 GLN A 119 -3.890 -12.957 1.616 1.00 0.00 O ATOM 1492 NE2 GLN A 119 -4.536 -10.814 1.435 1.00 0.00 N ATOM 0 H GLN A 119 -0.672 -12.853 -2.019 1.00 0.00 H new ATOM 0 HA GLN A 119 -3.181 -11.954 -1.208 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -1.480 -13.027 0.234 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -0.448 -11.618 0.085 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -1.616 -11.573 2.217 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -2.142 -10.232 1.220 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -4.260 -9.840 1.311 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -5.522 -11.057 1.533 1.00 0.00 H new ATOM 1501 N VAL A 120 -1.025 -9.546 -1.853 1.00 0.00 N ATOM 1502 CA VAL A 120 -0.904 -8.113 -2.093 1.00 0.00 C ATOM 1503 C VAL A 120 -1.867 -7.659 -3.185 1.00 0.00 C ATOM 1504 O VAL A 120 -2.523 -6.625 -3.058 1.00 0.00 O ATOM 1505 CB VAL A 120 0.535 -7.728 -2.491 1.00 0.00 C ATOM 1506 CG1 VAL A 120 0.626 -6.242 -2.804 1.00 0.00 C ATOM 1507 CG2 VAL A 120 1.515 -8.108 -1.391 1.00 0.00 C ATOM 0 H VAL A 120 -0.175 -10.078 -2.040 1.00 0.00 H new ATOM 0 HA VAL A 120 -1.156 -7.611 -1.159 1.00 0.00 H new ATOM 0 HB VAL A 120 0.801 -8.282 -3.391 1.00 0.00 H new ATOM 0 HG11 VAL A 120 1.649 -5.991 -3.083 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.044 -6.002 -3.630 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.338 -5.667 -1.924 1.00 0.00 H new ATOM 0 HG21 VAL A 120 2.525 -7.828 -1.691 1.00 0.00 H new ATOM 0 HG22 VAL A 120 1.251 -7.585 -0.472 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.472 -9.184 -1.221 1.00 0.00 H new ATOM 1517 N GLN A 121 -1.944 -8.439 -4.257 1.00 0.00 N ATOM 1518 CA GLN A 121 -2.814 -8.136 -5.372 1.00 0.00 C ATOM 1519 C GLN A 121 -4.276 -8.086 -4.933 1.00 0.00 C ATOM 1520 O GLN A 121 -5.007 -7.158 -5.278 1.00 0.00 O ATOM 1521 CB GLN A 121 -2.623 -9.198 -6.450 1.00 0.00 C ATOM 1522 CG GLN A 121 -3.493 -8.980 -7.662 1.00 0.00 C ATOM 1523 CD GLN A 121 -3.312 -10.047 -8.730 1.00 0.00 C ATOM 1524 OE1 GLN A 121 -2.422 -11.003 -8.480 1.00 0.00 O flip ATOM 1525 NE2 GLN A 121 -3.968 -10.011 -9.771 1.00 0.00 N flip ATOM 0 H GLN A 121 -1.403 -9.296 -4.371 1.00 0.00 H new ATOM 0 HA GLN A 121 -2.555 -7.154 -5.767 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -1.578 -9.209 -6.759 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -2.840 -10.179 -6.027 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -4.538 -8.959 -7.352 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -3.268 -8.004 -8.091 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -4.641 -9.260 -9.924 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -3.839 -10.732 -10.481 1.00 0.00 H new ATOM 1534 N SER A 122 -4.693 -9.094 -4.174 1.00 0.00 N ATOM 1535 CA SER A 122 -6.067 -9.173 -3.688 1.00 0.00 C ATOM 1536 C SER A 122 -6.384 -8.031 -2.725 1.00 0.00 C ATOM 1537 O SER A 122 -7.486 -7.483 -2.741 1.00 0.00 O ATOM 1538 CB SER A 122 -6.304 -10.517 -2.995 1.00 0.00 C ATOM 1539 OG SER A 122 -7.634 -10.615 -2.514 1.00 0.00 O ATOM 0 H SER A 122 -4.098 -9.869 -3.881 1.00 0.00 H new ATOM 0 HA SER A 122 -6.731 -9.086 -4.548 1.00 0.00 H new ATOM 0 HB2 SER A 122 -6.106 -11.330 -3.694 1.00 0.00 H new ATOM 0 HB3 SER A 122 -5.605 -10.631 -2.167 1.00 0.00 H new ATOM 0 HG SER A 122 -7.761 -11.483 -2.077 1.00 0.00 H new ATOM 1545 N THR A 123 -5.414 -7.684 -1.882 1.00 0.00 N ATOM 1546 CA THR A 123 -5.593 -6.616 -0.904 1.00 0.00 C ATOM 1547 C THR A 123 -6.038 -5.315 -1.568 1.00 0.00 C ATOM 1548 O THR A 123 -6.974 -4.663 -1.104 1.00 0.00 O ATOM 1549 CB THR A 123 -4.297 -6.357 -0.113 1.00 0.00 C ATOM 1550 OG1 THR A 123 -3.887 -7.553 0.561 1.00 0.00 O ATOM 1551 CG2 THR A 123 -4.495 -5.241 0.904 1.00 0.00 C ATOM 0 H THR A 123 -4.496 -8.128 -1.857 1.00 0.00 H new ATOM 0 HA THR A 123 -6.372 -6.950 -0.219 1.00 0.00 H new ATOM 0 HB THR A 123 -3.524 -6.052 -0.818 1.00 0.00 H new ATOM 0 HG1 THR A 123 -3.756 -8.269 -0.095 1.00 0.00 H new ATOM 0 HG21 THR A 123 -3.566 -5.077 1.450 1.00 0.00 H new ATOM 0 HG22 THR A 123 -4.779 -4.324 0.387 1.00 0.00 H new ATOM 0 HG23 THR A 123 -5.282 -5.522 1.604 1.00 0.00 H new ATOM 1559 N LEU A 124 -5.365 -4.942 -2.652 1.00 0.00 N ATOM 1560 CA LEU A 124 -5.699 -3.717 -3.370 1.00 0.00 C ATOM 1561 C LEU A 124 -7.144 -3.747 -3.860 1.00 0.00 C ATOM 1562 O LEU A 124 -7.864 -2.754 -3.753 1.00 0.00 O ATOM 1563 CB LEU A 124 -4.749 -3.507 -4.551 1.00 0.00 C ATOM 1564 CG LEU A 124 -3.290 -3.229 -4.176 1.00 0.00 C ATOM 1565 CD1 LEU A 124 -2.444 -3.061 -5.428 1.00 0.00 C ATOM 1566 CD2 LEU A 124 -3.188 -1.994 -3.293 1.00 0.00 C ATOM 0 H LEU A 124 -4.588 -5.468 -3.051 1.00 0.00 H new ATOM 0 HA LEU A 124 -5.587 -2.883 -2.677 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -4.782 -4.394 -5.184 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -5.118 -2.674 -5.149 1.00 0.00 H new ATOM 0 HG LEU A 124 -2.911 -4.082 -3.614 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -1.410 -2.864 -5.145 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -2.490 -3.973 -6.023 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -2.825 -2.225 -6.015 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -2.144 -1.814 -3.038 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -3.585 -1.131 -3.827 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -3.762 -2.151 -2.380 1.00 0.00 H new ATOM 1578 N ILE A 125 -7.562 -4.890 -4.396 1.00 0.00 N ATOM 1579 CA ILE A 125 -8.923 -5.042 -4.899 1.00 0.00 C ATOM 1580 C ILE A 125 -9.945 -4.801 -3.791 1.00 0.00 C ATOM 1581 O ILE A 125 -10.951 -4.122 -3.999 1.00 0.00 O ATOM 1582 CB ILE A 125 -9.151 -6.441 -5.505 1.00 0.00 C ATOM 1583 CG1 ILE A 125 -8.181 -6.682 -6.666 1.00 0.00 C ATOM 1584 CG2 ILE A 125 -10.594 -6.589 -5.971 1.00 0.00 C ATOM 1585 CD1 ILE A 125 -8.368 -8.019 -7.354 1.00 0.00 C ATOM 0 H ILE A 125 -6.980 -5.722 -4.493 1.00 0.00 H new ATOM 0 HA ILE A 125 -9.057 -4.296 -5.682 1.00 0.00 H new ATOM 0 HB ILE A 125 -8.961 -7.190 -4.736 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -8.304 -5.886 -7.400 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -7.159 -6.616 -6.293 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -10.739 -7.582 -6.396 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -11.266 -6.456 -5.123 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -10.811 -5.835 -6.728 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -7.645 -8.115 -8.164 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -8.216 -8.823 -6.634 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -9.378 -8.082 -7.759 1.00 0.00 H new ATOM 1597 N ALA A 126 -9.679 -5.362 -2.615 1.00 0.00 N ATOM 1598 CA ALA A 126 -10.574 -5.206 -1.474 1.00 0.00 C ATOM 1599 C ALA A 126 -10.699 -3.741 -1.071 1.00 0.00 C ATOM 1600 O ALA A 126 -11.799 -3.246 -0.824 1.00 0.00 O ATOM 1601 CB ALA A 126 -10.081 -6.039 -0.300 1.00 0.00 C ATOM 0 H ALA A 126 -8.851 -5.928 -2.428 1.00 0.00 H new ATOM 0 HA ALA A 126 -11.562 -5.560 -1.767 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -10.758 -5.913 0.545 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -10.050 -7.090 -0.587 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -9.081 -5.711 -0.016 1.00 0.00 H new ATOM 1607 N LEU A 127 -9.563 -3.052 -1.009 1.00 0.00 N ATOM 1608 CA LEU A 127 -9.540 -1.641 -0.638 1.00 0.00 C ATOM 1609 C LEU A 127 -10.359 -0.810 -1.622 1.00 0.00 C ATOM 1610 O LEU A 127 -11.066 0.118 -1.229 1.00 0.00 O ATOM 1611 CB LEU A 127 -8.099 -1.126 -0.594 1.00 0.00 C ATOM 1612 CG LEU A 127 -7.945 0.343 -0.190 1.00 0.00 C ATOM 1613 CD1 LEU A 127 -8.522 0.580 1.198 1.00 0.00 C ATOM 1614 CD2 LEU A 127 -6.483 0.758 -0.237 1.00 0.00 C ATOM 0 H LEU A 127 -8.645 -3.449 -1.211 1.00 0.00 H new ATOM 0 HA LEU A 127 -9.983 -1.543 0.353 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -7.532 -1.740 0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -7.650 -1.265 -1.577 1.00 0.00 H new ATOM 0 HG LEU A 127 -8.500 0.954 -0.901 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -8.403 1.630 1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -9.581 0.322 1.201 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -7.996 -0.042 1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -6.392 1.805 0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -5.907 0.140 0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -6.100 0.628 -1.249 1.00 0.00 H new ATOM 1626 N ALA A 128 -10.255 -1.153 -2.902 1.00 0.00 N ATOM 1627 CA ALA A 128 -10.983 -0.446 -3.948 1.00 0.00 C ATOM 1628 C ALA A 128 -12.485 -0.521 -3.709 1.00 0.00 C ATOM 1629 O ALA A 128 -13.201 0.466 -3.874 1.00 0.00 O ATOM 1630 CB ALA A 128 -10.634 -1.020 -5.314 1.00 0.00 C ATOM 0 H ALA A 128 -9.672 -1.919 -3.240 1.00 0.00 H new ATOM 0 HA ALA A 128 -10.687 0.603 -3.922 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -11.185 -0.483 -6.086 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -9.564 -0.913 -5.491 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -10.903 -2.076 -5.345 1.00 0.00 H new ATOM 1636 N SER A 129 -12.951 -1.702 -3.318 1.00 0.00 N ATOM 1637 CA SER A 129 -14.367 -1.916 -3.051 1.00 0.00 C ATOM 1638 C SER A 129 -14.863 -0.965 -1.968 1.00 0.00 C ATOM 1639 O SER A 129 -15.972 -0.438 -2.053 1.00 0.00 O ATOM 1640 CB SER A 129 -14.615 -3.366 -2.628 1.00 0.00 C ATOM 1641 OG SER A 129 -15.987 -3.592 -2.363 1.00 0.00 O ATOM 0 H SER A 129 -12.367 -2.527 -3.179 1.00 0.00 H new ATOM 0 HA SER A 129 -14.920 -1.715 -3.968 1.00 0.00 H new ATOM 0 HB2 SER A 129 -14.278 -4.040 -3.415 1.00 0.00 H new ATOM 0 HB3 SER A 129 -14.027 -3.594 -1.739 1.00 0.00 H new ATOM 0 HG SER A 129 -16.119 -4.526 -2.096 1.00 0.00 H new ATOM 1647 N GLN A 130 -14.035 -0.752 -0.948 1.00 0.00 N ATOM 1648 CA GLN A 130 -14.388 0.128 0.148 1.00 0.00 C ATOM 1649 C GLN A 130 -14.575 1.562 -0.326 1.00 0.00 C ATOM 1650 O GLN A 130 -15.572 2.202 -0.011 1.00 0.00 O ATOM 1651 CB GLN A 130 -13.304 0.080 1.211 1.00 0.00 C ATOM 1652 CG GLN A 130 -13.147 -1.275 1.882 1.00 0.00 C ATOM 1653 CD GLN A 130 -14.438 -1.787 2.494 1.00 0.00 C ATOM 1654 OE1 GLN A 130 -15.424 -2.022 1.794 1.00 0.00 O ATOM 1655 NE2 GLN A 130 -14.438 -1.963 3.810 1.00 0.00 N ATOM 0 H GLN A 130 -13.114 -1.181 -0.864 1.00 0.00 H new ATOM 0 HA GLN A 130 -15.334 -0.216 0.565 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -12.353 0.360 0.757 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -13.526 0.827 1.974 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -12.787 -1.997 1.149 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -12.386 -1.203 2.659 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -13.599 -1.756 4.352 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -15.277 -2.305 4.279 1.00 0.00 H new ATOM 1664 N ALA A 131 -13.603 2.061 -1.080 1.00 0.00 N ATOM 1665 CA ALA A 131 -13.651 3.424 -1.592 1.00 0.00 C ATOM 1666 C ALA A 131 -14.987 3.724 -2.269 1.00 0.00 C ATOM 1667 O ALA A 131 -15.535 4.816 -2.123 1.00 0.00 O ATOM 1668 CB ALA A 131 -12.498 3.658 -2.555 1.00 0.00 C ATOM 0 H ALA A 131 -12.769 1.540 -1.351 1.00 0.00 H new ATOM 0 HA ALA A 131 -13.554 4.106 -0.747 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -12.541 4.679 -2.933 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -11.553 3.503 -2.035 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -12.572 2.959 -3.388 1.00 0.00 H new ATOM 1674 N LYS A 132 -15.501 2.752 -3.014 1.00 0.00 N ATOM 1675 CA LYS A 132 -16.770 2.915 -3.719 1.00 0.00 C ATOM 1676 C LYS A 132 -17.946 2.940 -2.746 1.00 0.00 C ATOM 1677 O LYS A 132 -18.835 3.787 -2.850 1.00 0.00 O ATOM 1678 CB LYS A 132 -16.967 1.777 -4.721 1.00 0.00 C ATOM 1679 CG LYS A 132 -15.759 1.527 -5.604 1.00 0.00 C ATOM 1680 CD LYS A 132 -16.032 0.440 -6.631 1.00 0.00 C ATOM 1681 CE LYS A 132 -14.821 0.188 -7.515 1.00 0.00 C ATOM 1682 NZ LYS A 132 -14.416 1.410 -8.265 1.00 0.00 N ATOM 0 H LYS A 132 -15.059 1.842 -3.146 1.00 0.00 H new ATOM 0 HA LYS A 132 -16.735 3.868 -4.247 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -17.204 0.863 -4.177 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -17.826 2.005 -5.352 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -15.484 2.450 -6.115 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -14.909 1.239 -4.986 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -16.309 -0.482 -6.120 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -16.881 0.729 -7.250 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -13.988 -0.153 -6.901 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -15.046 -0.612 -8.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -13.752 1.149 -9.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -15.258 1.857 -8.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -13.955 2.079 -7.616 1.00 0.00 H new ATOM 1696 N THR A 133 -17.953 1.991 -1.817 1.00 0.00 N ATOM 1697 CA THR A 133 -19.026 1.877 -0.834 1.00 0.00 C ATOM 1698 C THR A 133 -19.086 3.085 0.097 1.00 0.00 C ATOM 1699 O THR A 133 -20.157 3.647 0.327 1.00 0.00 O ATOM 1700 CB THR A 133 -18.864 0.600 0.010 1.00 0.00 C ATOM 1701 OG1 THR A 133 -17.668 0.678 0.794 1.00 0.00 O ATOM 1702 CG2 THR A 133 -18.808 -0.630 -0.886 1.00 0.00 C ATOM 0 H THR A 133 -17.223 1.285 -1.723 1.00 0.00 H new ATOM 0 HA THR A 133 -19.958 1.831 -1.398 1.00 0.00 H new ATOM 0 HB THR A 133 -19.725 0.514 0.672 1.00 0.00 H new ATOM 0 HG1 THR A 133 -16.974 1.149 0.287 1.00 0.00 H new ATOM 0 HG21 THR A 133 -18.693 -1.523 -0.271 1.00 0.00 H new ATOM 0 HG22 THR A 133 -19.730 -0.702 -1.463 1.00 0.00 H new ATOM 0 HG23 THR A 133 -17.960 -0.546 -1.566 1.00 0.00 H new ATOM 1710 N LYS A 134 -17.935 3.476 0.636 1.00 0.00 N ATOM 1711 CA LYS A 134 -17.866 4.613 1.550 1.00 0.00 C ATOM 1712 C LYS A 134 -18.438 5.868 0.901 1.00 0.00 C ATOM 1713 O LYS A 134 -18.241 6.045 -0.320 1.00 0.00 O ATOM 1714 CB LYS A 134 -16.417 4.866 1.980 1.00 0.00 C ATOM 1715 CG LYS A 134 -15.725 3.649 2.579 1.00 0.00 C ATOM 1716 CD LYS A 134 -16.453 3.121 3.799 1.00 0.00 C ATOM 1717 CE LYS A 134 -15.704 1.952 4.416 1.00 0.00 C ATOM 1718 NZ LYS A 134 -14.363 2.357 4.922 1.00 0.00 N ATOM 1719 OXT LYS A 134 -19.079 6.665 1.619 1.00 0.00 O ATOM 0 H LYS A 134 -17.039 3.024 0.457 1.00 0.00 H new ATOM 0 HA LYS A 134 -18.463 4.373 2.430 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -15.847 5.206 1.115 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -16.402 5.675 2.710 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -15.661 2.862 1.827 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -14.703 3.912 2.853 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -16.561 3.917 4.535 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -17.458 2.806 3.519 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -16.291 1.536 5.235 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -15.589 1.162 3.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -13.991 1.617 5.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -13.714 2.487 4.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -14.446 3.250 5.449 1.00 0.00 H new TER 1733 LYS A 134