USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 752 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 50 LYS NZ :NH3+ 127:sc= -2.44! (180deg=-3.1!) USER MOD Set 1.2: A 75 TYR OH : rot -139:sc= -2.13 USER MOD Set 2.1: A 55 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 59 MET CE :methyl -125:sc= -0.102 (180deg=-1.86!) USER MOD Set 3.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 17 ASN : amide:sc= -0.776 X(o=-0.78,f=-0.52) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 153:sc= -0.0796 (180deg=-1.01) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -3.64! C(o=-3.6!,f=-3.9!) USER MOD Single : A 9 ASN : amide:sc= -0.0262 X(o=-0.026,f=-0.089) USER MOD Single : A 12 GLN : amide:sc= -0.846 K(o=-0.85,f=-7.8!) USER MOD Single : A 16 MET CE :methyl 153:sc= 0 (180deg=-0.729) USER MOD Single : A 20 SER OG : rot -13:sc= 0.219 USER MOD Single : A 22 GLN : amide:sc= -0.208 K(o=-0.21,f=-2.5!) USER MOD Single : A 25 HIS : no HD1:sc= -5.98! C(o=-6!,f=-9.9!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 86:sc= 1.11 USER MOD Single : A 32 HIS : no HD1:sc= -0.54 X(o=-0.54,f=-0.54) USER MOD Single : A 34 GLN :FLIP amide:sc= -1.56 F(o=-2.8!,f=-1.6) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0.0789 K(o=0.079,f=-2!) USER MOD Single : A 52 GLN : amide:sc= -0.301 K(o=-0.3,f=-2.3!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN :FLIP amide:sc= -2.19 F(o=-5.1!,f=-2.2) USER MOD Single : A 68 HIS : no HD1:sc= -1.24 X(o=-1.2,f=-1.5) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.333 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -0.0972 X(o=-0.097,f=-0.43) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 93 HIS :FLIP no HE2:sc= -1.73 F(o=-2.3,f=-1.7) USER MOD Single : A 94 HIS : no HD1:sc= -0.0716 X(o=-0.072,f=-0.54) USER MOD Single : A 95 HIS : no HD1:sc= -0.894 X(o=-0.89,f=-1.3) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HD1:sc= -2.14 K(o=-2.1,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C MET A 1 1.692 -1.200 -2.114 1.00 0.00 C ATOM 4 O MET A 1 2.121 -2.323 -1.851 1.00 0.00 O ATOM 5 CB MET A 1 3.572 -0.045 -0.941 1.00 0.00 C ATOM 6 CG MET A 1 3.880 -1.082 0.142 1.00 0.00 C ATOM 7 SD MET A 1 5.406 -1.927 -0.239 1.00 0.00 S ATOM 8 CE MET A 1 4.838 -3.619 -0.214 1.00 0.00 C ATOM 0 H1 MET A 1 1.873 0.493 0.734 1.00 0.00 H new ATOM 0 H2 MET A 1 0.417 0.488 -0.140 1.00 0.00 H new ATOM 0 H3 MET A 1 1.149 -0.980 0.299 1.00 0.00 H new ATOM 0 HA MET A 1 1.832 0.912 -1.791 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.124 -0.287 -1.849 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.910 0.938 -0.615 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.958 -0.594 1.113 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.064 -1.801 0.211 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.672 -4.286 -0.434 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.436 -3.853 0.772 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.059 -3.752 -0.964 1.00 0.00 H new ATOM 18 N ILE A 2 0.891 -0.923 -3.132 1.00 0.00 N ATOM 19 CA ILE A 2 0.447 -1.966 -4.041 1.00 0.00 C ATOM 20 C ILE A 2 -0.332 -1.333 -5.196 1.00 0.00 C ATOM 21 O ILE A 2 -0.046 -0.206 -5.599 1.00 0.00 O ATOM 22 CB ILE A 2 -0.339 -3.038 -3.284 1.00 0.00 C ATOM 23 CG1 ILE A 2 -0.245 -4.391 -3.993 1.00 0.00 C ATOM 24 CG2 ILE A 2 -1.790 -2.604 -3.068 1.00 0.00 C ATOM 25 CD1 ILE A 2 0.719 -5.327 -3.261 1.00 0.00 C ATOM 0 H ILE A 2 0.538 0.009 -3.348 1.00 0.00 H new ATOM 0 HA ILE A 2 1.303 -2.480 -4.477 1.00 0.00 H new ATOM 0 HB ILE A 2 0.111 -3.159 -2.299 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.233 -4.848 -4.044 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.092 -4.245 -5.019 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.326 -3.384 -2.528 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -1.811 -1.681 -2.489 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.268 -2.437 -4.034 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.768 -6.281 -3.785 1.00 0.00 H new ATOM 0 HD12 ILE A 2 1.712 -4.877 -3.233 1.00 0.00 H new ATOM 0 HD13 ILE A 2 0.365 -5.490 -2.243 1.00 0.00 H new ATOM 37 N GLU A 3 -1.302 -2.084 -5.696 1.00 0.00 N ATOM 38 CA GLU A 3 -2.124 -1.611 -6.796 1.00 0.00 C ATOM 39 C GLU A 3 -3.595 -1.565 -6.378 1.00 0.00 C ATOM 40 O GLU A 3 -3.916 -1.738 -5.203 1.00 0.00 O ATOM 41 CB GLU A 3 -1.934 -2.484 -8.038 1.00 0.00 C ATOM 42 CG GLU A 3 -1.821 -3.961 -7.658 1.00 0.00 C ATOM 43 CD GLU A 3 -2.285 -4.860 -8.806 1.00 0.00 C ATOM 44 OE1 GLU A 3 -3.423 -4.722 -9.280 1.00 0.00 O ATOM 45 OE2 GLU A 3 -1.417 -5.726 -9.205 1.00 0.00 O ATOM 0 H GLU A 3 -1.537 -3.018 -5.359 1.00 0.00 H new ATOM 0 HA GLU A 3 -1.807 -0.600 -7.051 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -2.774 -2.343 -8.718 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -1.036 -2.173 -8.572 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -0.788 -4.196 -7.402 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -2.422 -4.159 -6.771 1.00 0.00 H new ATOM 53 N ASP A 4 -4.450 -1.331 -7.362 1.00 0.00 N ATOM 54 CA ASP A 4 -5.880 -1.260 -7.111 1.00 0.00 C ATOM 55 C ASP A 4 -6.574 -2.433 -7.807 1.00 0.00 C ATOM 56 O ASP A 4 -6.862 -2.369 -9.001 1.00 0.00 O ATOM 57 CB ASP A 4 -6.473 0.036 -7.666 1.00 0.00 C ATOM 58 CG ASP A 4 -7.981 0.001 -7.919 1.00 0.00 C ATOM 59 OD1 ASP A 4 -8.444 0.223 -9.048 1.00 0.00 O ATOM 60 OD2 ASP A 4 -8.702 -0.273 -6.885 1.00 0.00 O ATOM 0 H ASP A 4 -4.180 -1.188 -8.335 1.00 0.00 H new ATOM 0 HA ASP A 4 -6.035 -1.295 -6.033 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -6.256 0.845 -6.969 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -5.968 0.277 -8.602 1.00 0.00 H new ATOM 66 N PRO A 5 -6.829 -3.505 -7.010 1.00 0.00 N ATOM 67 CA PRO A 5 -7.484 -4.690 -7.536 1.00 0.00 C ATOM 68 C PRO A 5 -8.980 -4.444 -7.742 1.00 0.00 C ATOM 69 O PRO A 5 -9.429 -3.299 -7.747 1.00 0.00 O ATOM 70 CB PRO A 5 -7.196 -5.783 -6.519 1.00 0.00 C ATOM 71 CG PRO A 5 -6.791 -5.067 -5.241 1.00 0.00 C ATOM 72 CD PRO A 5 -6.501 -3.616 -5.591 1.00 0.00 C ATOM 0 HA PRO A 5 -7.113 -4.973 -8.521 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.075 -6.406 -6.356 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -6.400 -6.441 -6.867 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -7.588 -5.129 -4.500 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -5.911 -5.537 -4.803 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -7.105 -2.935 -4.990 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -5.457 -3.365 -5.405 1.00 0.00 H new ATOM 80 N MET A 6 -9.709 -5.538 -7.907 1.00 0.00 N ATOM 81 CA MET A 6 -11.145 -5.455 -8.113 1.00 0.00 C ATOM 82 C MET A 6 -11.881 -6.503 -7.276 1.00 0.00 C ATOM 83 O MET A 6 -12.898 -6.203 -6.653 1.00 0.00 O ATOM 84 CB MET A 6 -11.462 -5.671 -9.595 1.00 0.00 C ATOM 85 CG MET A 6 -11.602 -4.334 -10.326 1.00 0.00 C ATOM 86 SD MET A 6 -13.328 -3.931 -10.534 1.00 0.00 S ATOM 87 CE MET A 6 -13.192 -2.206 -10.973 1.00 0.00 C ATOM 0 H MET A 6 -9.332 -6.486 -7.902 1.00 0.00 H new ATOM 0 HA MET A 6 -11.481 -4.466 -7.800 1.00 0.00 H new ATOM 0 HB2 MET A 6 -10.671 -6.261 -10.058 1.00 0.00 H new ATOM 0 HB3 MET A 6 -12.385 -6.242 -9.694 1.00 0.00 H new ATOM 0 HG2 MET A 6 -11.102 -3.547 -9.761 1.00 0.00 H new ATOM 0 HG3 MET A 6 -11.113 -4.389 -11.299 1.00 0.00 H new ATOM 0 HE1 MET A 6 -14.187 -1.793 -11.140 1.00 0.00 H new ATOM 0 HE2 MET A 6 -12.704 -1.662 -10.164 1.00 0.00 H new ATOM 0 HE3 MET A 6 -12.601 -2.108 -11.884 1.00 0.00 H new ATOM 97 N GLU A 7 -11.337 -7.712 -7.288 1.00 0.00 N ATOM 98 CA GLU A 7 -11.929 -8.806 -6.537 1.00 0.00 C ATOM 99 C GLU A 7 -10.873 -9.870 -6.229 1.00 0.00 C ATOM 100 O GLU A 7 -9.716 -9.545 -5.971 1.00 0.00 O ATOM 101 CB GLU A 7 -13.114 -9.411 -7.292 1.00 0.00 C ATOM 102 CG GLU A 7 -12.643 -10.163 -8.539 1.00 0.00 C ATOM 103 CD GLU A 7 -13.265 -11.559 -8.605 1.00 0.00 C ATOM 104 OE1 GLU A 7 -13.718 -12.085 -7.578 1.00 0.00 O ATOM 105 OE2 GLU A 7 -13.268 -12.099 -9.777 1.00 0.00 O ATOM 0 H GLU A 7 -10.493 -7.957 -7.806 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.306 -8.412 -5.593 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.658 -10.091 -6.637 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.808 -8.621 -7.580 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.912 -9.599 -9.432 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.556 -10.245 -8.530 1.00 0.00 H new ATOM 113 N ASN A 8 -11.311 -11.120 -6.266 1.00 0.00 N ATOM 114 CA ASN A 8 -10.418 -12.234 -5.994 1.00 0.00 C ATOM 115 C ASN A 8 -10.306 -12.434 -4.482 1.00 0.00 C ATOM 116 O ASN A 8 -9.651 -13.368 -4.022 1.00 0.00 O ATOM 117 CB ASN A 8 -9.016 -11.962 -6.541 1.00 0.00 C ATOM 118 CG ASN A 8 -9.083 -11.271 -7.904 1.00 0.00 C ATOM 119 OD1 ASN A 8 -8.606 -10.164 -8.092 1.00 0.00 O ATOM 120 ND2 ASN A 8 -9.702 -11.983 -8.842 1.00 0.00 N ATOM 0 H ASN A 8 -12.272 -11.386 -6.480 1.00 0.00 H new ATOM 0 HA ASN A 8 -10.827 -13.121 -6.478 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -8.463 -11.337 -5.840 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -8.469 -12.900 -6.632 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -9.800 -11.608 -9.785 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -10.079 -12.904 -8.618 1.00 0.00 H new ATOM 127 N ASN A 9 -10.954 -11.540 -3.749 1.00 0.00 N ATOM 128 CA ASN A 9 -10.935 -11.607 -2.297 1.00 0.00 C ATOM 129 C ASN A 9 -11.801 -12.780 -1.833 1.00 0.00 C ATOM 130 O ASN A 9 -11.654 -13.258 -0.709 1.00 0.00 O ATOM 131 CB ASN A 9 -11.502 -10.327 -1.680 1.00 0.00 C ATOM 132 CG ASN A 9 -11.281 -10.305 -0.166 1.00 0.00 C ATOM 133 OD1 ASN A 9 -12.107 -10.748 0.615 1.00 0.00 O ATOM 134 ND2 ASN A 9 -10.124 -9.764 0.203 1.00 0.00 N ATOM 0 H ASN A 9 -11.495 -10.766 -4.133 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.900 -11.734 -1.979 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -11.025 -9.458 -2.134 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -12.568 -10.255 -1.897 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -9.883 -9.701 1.192 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -9.477 -9.412 -0.503 1.00 0.00 H new ATOM 141 N GLU A 10 -12.683 -13.211 -2.723 1.00 0.00 N ATOM 142 CA GLU A 10 -13.572 -14.319 -2.418 1.00 0.00 C ATOM 143 C GLU A 10 -12.773 -15.614 -2.261 1.00 0.00 C ATOM 144 O GLU A 10 -12.822 -16.255 -1.212 1.00 0.00 O ATOM 145 CB GLU A 10 -14.651 -14.468 -3.493 1.00 0.00 C ATOM 146 CG GLU A 10 -15.962 -14.972 -2.888 1.00 0.00 C ATOM 147 CD GLU A 10 -17.094 -13.967 -3.117 1.00 0.00 C ATOM 148 OE1 GLU A 10 -17.323 -13.541 -4.258 1.00 0.00 O ATOM 149 OE2 GLU A 10 -17.747 -13.632 -2.056 1.00 0.00 O ATOM 0 H GLU A 10 -12.801 -12.813 -3.655 1.00 0.00 H new ATOM 0 HA GLU A 10 -14.073 -14.107 -1.473 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.817 -13.508 -3.982 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.310 -15.162 -4.261 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.227 -15.931 -3.333 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -15.832 -15.141 -1.819 1.00 0.00 H new ATOM 157 N ILE A 11 -12.054 -15.960 -3.319 1.00 0.00 N ATOM 158 CA ILE A 11 -11.244 -17.166 -3.311 1.00 0.00 C ATOM 159 C ILE A 11 -10.211 -17.075 -2.187 1.00 0.00 C ATOM 160 O ILE A 11 -9.832 -18.090 -1.603 1.00 0.00 O ATOM 161 CB ILE A 11 -10.631 -17.408 -4.692 1.00 0.00 C ATOM 162 CG1 ILE A 11 -11.664 -17.187 -5.798 1.00 0.00 C ATOM 163 CG2 ILE A 11 -9.993 -18.797 -4.773 1.00 0.00 C ATOM 164 CD1 ILE A 11 -11.262 -16.018 -6.699 1.00 0.00 C ATOM 0 H ILE A 11 -12.016 -15.426 -4.187 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.863 -18.039 -3.104 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.836 -16.678 -4.845 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -11.762 -18.094 -6.395 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -12.640 -16.990 -5.355 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.565 -18.943 -5.765 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.207 -18.881 -4.022 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -10.752 -19.557 -4.590 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -12.014 -15.883 -7.477 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -11.188 -15.108 -6.103 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.297 -16.229 -7.160 1.00 0.00 H new ATOM 176 N GLN A 12 -9.785 -15.850 -1.915 1.00 0.00 N ATOM 177 CA GLN A 12 -8.803 -15.614 -0.871 1.00 0.00 C ATOM 178 C GLN A 12 -9.441 -15.793 0.508 1.00 0.00 C ATOM 179 O GLN A 12 -8.794 -16.273 1.438 1.00 0.00 O ATOM 180 CB GLN A 12 -8.179 -14.223 -1.010 1.00 0.00 C ATOM 181 CG GLN A 12 -6.853 -14.291 -1.769 1.00 0.00 C ATOM 182 CD GLN A 12 -6.549 -12.960 -2.461 1.00 0.00 C ATOM 183 OE1 GLN A 12 -5.753 -12.159 -2.000 1.00 0.00 O ATOM 184 NE2 GLN A 12 -7.226 -12.771 -3.590 1.00 0.00 N ATOM 0 H GLN A 12 -10.102 -15.011 -2.400 1.00 0.00 H new ATOM 0 HA GLN A 12 -8.004 -16.348 -0.978 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.869 -13.562 -1.534 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.015 -13.794 -0.022 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -6.047 -14.539 -1.078 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -6.894 -15.089 -2.510 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -7.878 -13.483 -3.919 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -7.094 -11.914 -4.127 1.00 0.00 H new ATOM 193 N SER A 13 -10.703 -15.398 0.597 1.00 0.00 N ATOM 194 CA SER A 13 -11.436 -15.509 1.847 1.00 0.00 C ATOM 195 C SER A 13 -11.702 -16.981 2.168 1.00 0.00 C ATOM 196 O SER A 13 -11.659 -17.385 3.329 1.00 0.00 O ATOM 197 CB SER A 13 -12.753 -14.733 1.784 1.00 0.00 C ATOM 198 OG SER A 13 -13.389 -14.658 3.057 1.00 0.00 O ATOM 0 H SER A 13 -11.236 -15.001 -0.176 1.00 0.00 H new ATOM 0 HA SER A 13 -10.828 -15.075 2.640 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.563 -13.726 1.414 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.423 -15.214 1.071 1.00 0.00 H new ATOM 0 HG SER A 13 -14.226 -14.154 2.976 1.00 0.00 H new ATOM 204 N VAL A 14 -11.970 -17.744 1.118 1.00 0.00 N ATOM 205 CA VAL A 14 -12.243 -19.163 1.274 1.00 0.00 C ATOM 206 C VAL A 14 -10.934 -19.901 1.561 1.00 0.00 C ATOM 207 O VAL A 14 -10.921 -20.885 2.298 1.00 0.00 O ATOM 208 CB VAL A 14 -12.971 -19.694 0.038 1.00 0.00 C ATOM 209 CG1 VAL A 14 -13.229 -21.198 0.158 1.00 0.00 C ATOM 210 CG2 VAL A 14 -14.275 -18.931 -0.202 1.00 0.00 C ATOM 0 H VAL A 14 -12.004 -17.406 0.156 1.00 0.00 H new ATOM 0 HA VAL A 14 -12.905 -19.334 2.123 1.00 0.00 H new ATOM 0 HB VAL A 14 -12.326 -19.532 -0.826 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -13.748 -21.550 -0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -12.279 -21.723 0.257 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.844 -21.393 1.036 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -14.772 -19.329 -1.087 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -14.928 -19.045 0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -14.056 -17.874 -0.354 1.00 0.00 H new ATOM 220 N LEU A 15 -9.864 -19.397 0.964 1.00 0.00 N ATOM 221 CA LEU A 15 -8.553 -19.996 1.146 1.00 0.00 C ATOM 222 C LEU A 15 -8.115 -19.821 2.601 1.00 0.00 C ATOM 223 O LEU A 15 -7.528 -20.728 3.190 1.00 0.00 O ATOM 224 CB LEU A 15 -7.559 -19.428 0.131 1.00 0.00 C ATOM 225 CG LEU A 15 -6.078 -19.622 0.463 1.00 0.00 C ATOM 226 CD1 LEU A 15 -5.525 -20.879 -0.213 1.00 0.00 C ATOM 227 CD2 LEU A 15 -5.267 -18.375 0.105 1.00 0.00 C ATOM 0 H LEU A 15 -9.878 -18.580 0.353 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.593 -21.068 0.952 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.757 -19.887 -0.838 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.750 -18.360 0.023 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.986 -19.767 1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.471 -20.994 0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.078 -21.752 0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.632 -20.788 -1.294 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.218 -18.540 0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.362 -18.173 -0.962 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.642 -17.522 0.670 1.00 0.00 H new ATOM 239 N MET A 16 -8.417 -18.649 3.140 1.00 0.00 N ATOM 240 CA MET A 16 -8.062 -18.343 4.515 1.00 0.00 C ATOM 241 C MET A 16 -9.010 -19.040 5.494 1.00 0.00 C ATOM 242 O MET A 16 -8.575 -19.561 6.520 1.00 0.00 O ATOM 243 CB MET A 16 -8.123 -16.830 4.734 1.00 0.00 C ATOM 244 CG MET A 16 -6.759 -16.185 4.480 1.00 0.00 C ATOM 245 SD MET A 16 -6.960 -14.440 4.163 1.00 0.00 S ATOM 246 CE MET A 16 -5.362 -13.843 4.690 1.00 0.00 C ATOM 0 H MET A 16 -8.904 -17.899 2.649 1.00 0.00 H new ATOM 0 HA MET A 16 -7.050 -18.705 4.698 1.00 0.00 H new ATOM 0 HB2 MET A 16 -8.866 -16.392 4.068 1.00 0.00 H new ATOM 0 HB3 MET A 16 -8.445 -16.619 5.754 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.110 -16.334 5.343 1.00 0.00 H new ATOM 0 HG3 MET A 16 -6.273 -16.664 3.630 1.00 0.00 H new ATOM 0 HE1 MET A 16 -5.121 -12.926 4.152 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.384 -13.641 5.761 1.00 0.00 H new ATOM 0 HE3 MET A 16 -4.604 -14.597 4.479 1.00 0.00 H new ATOM 256 N ASN A 17 -10.287 -19.025 5.143 1.00 0.00 N ATOM 257 CA ASN A 17 -11.300 -19.649 5.977 1.00 0.00 C ATOM 258 C ASN A 17 -10.971 -21.133 6.147 1.00 0.00 C ATOM 259 O ASN A 17 -11.120 -21.685 7.237 1.00 0.00 O ATOM 260 CB ASN A 17 -12.685 -19.542 5.336 1.00 0.00 C ATOM 261 CG ASN A 17 -13.402 -18.269 5.789 1.00 0.00 C ATOM 262 OD1 ASN A 17 -13.581 -18.013 6.969 1.00 0.00 O ATOM 263 ND2 ASN A 17 -13.802 -17.488 4.790 1.00 0.00 N ATOM 0 H ASN A 17 -10.644 -18.590 4.292 1.00 0.00 H new ATOM 0 HA ASN A 17 -11.308 -19.136 6.939 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -12.588 -19.542 4.250 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -13.282 -20.414 5.603 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -14.291 -16.615 4.989 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -13.620 -17.762 3.824 1.00 0.00 H new ATOM 270 N ALA A 18 -10.530 -21.738 5.054 1.00 0.00 N ATOM 271 CA ALA A 18 -10.179 -23.148 5.069 1.00 0.00 C ATOM 272 C ALA A 18 -8.892 -23.341 5.873 1.00 0.00 C ATOM 273 O ALA A 18 -8.767 -24.301 6.631 1.00 0.00 O ATOM 274 CB ALA A 18 -10.050 -23.657 3.632 1.00 0.00 C ATOM 0 H ALA A 18 -10.408 -21.278 4.152 1.00 0.00 H new ATOM 0 HA ALA A 18 -10.961 -23.733 5.554 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.787 -24.715 3.643 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -10.999 -23.525 3.113 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -9.272 -23.095 3.115 1.00 0.00 H new ATOM 280 N LEU A 19 -7.967 -22.411 5.681 1.00 0.00 N ATOM 281 CA LEU A 19 -6.694 -22.467 6.379 1.00 0.00 C ATOM 282 C LEU A 19 -5.815 -21.302 5.921 1.00 0.00 C ATOM 283 O LEU A 19 -5.347 -21.283 4.783 1.00 0.00 O ATOM 284 CB LEU A 19 -6.042 -23.839 6.197 1.00 0.00 C ATOM 285 CG LEU A 19 -5.490 -24.493 7.465 1.00 0.00 C ATOM 286 CD1 LEU A 19 -6.404 -24.224 8.663 1.00 0.00 C ATOM 287 CD2 LEU A 19 -5.251 -25.989 7.251 1.00 0.00 C ATOM 0 H LEU A 19 -8.074 -21.615 5.052 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.843 -22.352 7.453 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.776 -24.512 5.755 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.228 -23.740 5.479 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.524 -24.042 7.689 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.989 -24.700 9.551 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.480 -23.149 8.829 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.395 -24.631 8.463 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.859 -26.430 8.168 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.191 -26.474 6.989 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.532 -26.131 6.444 1.00 0.00 H new ATOM 299 N SER A 20 -5.616 -20.358 6.829 1.00 0.00 N ATOM 300 CA SER A 20 -4.801 -19.193 6.532 1.00 0.00 C ATOM 301 C SER A 20 -3.320 -19.575 6.538 1.00 0.00 C ATOM 302 O SER A 20 -2.969 -20.720 6.257 1.00 0.00 O ATOM 303 CB SER A 20 -5.063 -18.067 7.534 1.00 0.00 C ATOM 304 OG SER A 20 -6.449 -17.934 7.837 1.00 0.00 O ATOM 0 H SER A 20 -6.006 -20.377 7.771 1.00 0.00 H new ATOM 0 HA SER A 20 -5.072 -18.830 5.540 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.508 -18.262 8.452 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.689 -17.127 7.129 1.00 0.00 H new ATOM 0 HG SER A 20 -6.976 -18.453 7.194 1.00 0.00 H new ATOM 310 N LEU A 21 -2.490 -18.594 6.862 1.00 0.00 N ATOM 311 CA LEU A 21 -1.054 -18.813 6.909 1.00 0.00 C ATOM 312 C LEU A 21 -0.350 -17.487 7.202 1.00 0.00 C ATOM 313 O LEU A 21 0.605 -17.445 7.977 1.00 0.00 O ATOM 314 CB LEU A 21 -0.574 -19.494 5.625 1.00 0.00 C ATOM 315 CG LEU A 21 0.347 -20.702 5.811 1.00 0.00 C ATOM 316 CD1 LEU A 21 -0.460 -21.964 6.121 1.00 0.00 C ATOM 317 CD2 LEU A 21 1.258 -20.888 4.596 1.00 0.00 C ATOM 0 H LEU A 21 -2.785 -17.646 7.095 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.799 -19.496 7.719 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.448 -19.813 5.057 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.052 -18.754 5.018 1.00 0.00 H new ATOM 0 HG LEU A 21 0.990 -20.513 6.670 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.218 -22.808 6.249 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.030 -21.815 7.038 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.144 -22.170 5.298 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.902 -21.753 4.753 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.649 -21.046 3.706 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.872 -19.998 4.462 1.00 0.00 H new ATOM 329 N GLN A 22 -0.847 -16.436 6.566 1.00 0.00 N ATOM 330 CA GLN A 22 -0.277 -15.112 6.749 1.00 0.00 C ATOM 331 C GLN A 22 -0.640 -14.210 5.568 1.00 0.00 C ATOM 332 O GLN A 22 -1.383 -13.243 5.726 1.00 0.00 O ATOM 333 CB GLN A 22 1.240 -15.189 6.935 1.00 0.00 C ATOM 334 CG GLN A 22 1.629 -14.919 8.390 1.00 0.00 C ATOM 335 CD GLN A 22 2.865 -14.021 8.469 1.00 0.00 C ATOM 336 OE1 GLN A 22 3.504 -13.710 7.477 1.00 0.00 O ATOM 337 NE2 GLN A 22 3.165 -13.622 9.702 1.00 0.00 N ATOM 0 H GLN A 22 -1.638 -16.475 5.923 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.699 -14.678 7.655 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.597 -16.175 6.636 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.727 -14.463 6.284 1.00 0.00 H new ATOM 0 HG2 GLN A 22 0.797 -14.445 8.911 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.827 -15.863 8.898 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.588 -13.919 10.489 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.972 -13.019 9.861 1.00 0.00 H new ATOM 346 N GLU A 23 -0.098 -14.558 4.410 1.00 0.00 N ATOM 347 CA GLU A 23 -0.355 -13.792 3.203 1.00 0.00 C ATOM 348 C GLU A 23 -1.082 -14.657 2.170 1.00 0.00 C ATOM 349 O GLU A 23 -1.252 -15.858 2.371 1.00 0.00 O ATOM 350 CB GLU A 23 0.943 -13.225 2.626 1.00 0.00 C ATOM 351 CG GLU A 23 1.121 -11.756 3.017 1.00 0.00 C ATOM 352 CD GLU A 23 2.413 -11.185 2.429 1.00 0.00 C ATOM 353 OE1 GLU A 23 3.511 -11.611 2.814 1.00 0.00 O ATOM 354 OE2 GLU A 23 2.246 -10.266 1.539 1.00 0.00 O ATOM 0 H GLU A 23 0.518 -15.361 4.282 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.998 -12.950 3.461 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.791 -13.807 2.988 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.933 -13.317 1.540 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.269 -11.176 2.663 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.140 -11.665 4.103 1.00 0.00 H new ATOM 362 N VAL A 24 -1.491 -14.011 1.088 1.00 0.00 N ATOM 363 CA VAL A 24 -2.195 -14.706 0.024 1.00 0.00 C ATOM 364 C VAL A 24 -1.744 -14.150 -1.328 1.00 0.00 C ATOM 365 O VAL A 24 -1.210 -13.044 -1.402 1.00 0.00 O ATOM 366 CB VAL A 24 -3.706 -14.600 0.240 1.00 0.00 C ATOM 367 CG1 VAL A 24 -4.127 -15.312 1.527 1.00 0.00 C ATOM 368 CG2 VAL A 24 -4.157 -13.138 0.249 1.00 0.00 C ATOM 0 H VAL A 24 -1.348 -13.014 0.925 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.952 -15.769 0.036 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.200 -15.098 -0.595 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -5.205 -15.222 1.657 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.856 -16.366 1.465 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.620 -14.856 2.377 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.235 -13.091 0.404 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.651 -12.606 1.054 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.907 -12.674 -0.705 1.00 0.00 H new ATOM 378 N HIS A 25 -1.976 -14.942 -2.365 1.00 0.00 N ATOM 379 CA HIS A 25 -1.600 -14.543 -3.711 1.00 0.00 C ATOM 380 C HIS A 25 -2.686 -14.976 -4.697 1.00 0.00 C ATOM 381 O HIS A 25 -3.166 -16.108 -4.640 1.00 0.00 O ATOM 382 CB HIS A 25 -0.218 -15.089 -4.073 1.00 0.00 C ATOM 383 CG HIS A 25 0.928 -14.230 -3.592 1.00 0.00 C ATOM 384 ND1 HIS A 25 1.146 -13.952 -2.254 1.00 0.00 N ATOM 385 CD2 HIS A 25 1.915 -13.593 -4.284 1.00 0.00 C ATOM 386 CE1 HIS A 25 2.218 -13.181 -2.157 1.00 0.00 C ATOM 387 NE2 HIS A 25 2.694 -12.959 -3.416 1.00 0.00 N ATOM 0 H HIS A 25 -2.420 -15.858 -2.300 1.00 0.00 H new ATOM 0 HA HIS A 25 -1.523 -13.457 -3.764 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -0.112 -16.088 -3.651 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -0.152 -15.192 -5.156 1.00 0.00 H new ATOM 0 HD2 HIS A 25 2.042 -13.603 -5.357 1.00 0.00 H new ATOM 0 HE1 HIS A 25 2.641 -12.795 -1.241 1.00 0.00 H new ATOM 0 HE2 HIS A 25 3.513 -12.399 -3.651 1.00 0.00 H new ATOM 395 N VAL A 26 -3.043 -14.053 -5.578 1.00 0.00 N ATOM 396 CA VAL A 26 -4.064 -14.326 -6.575 1.00 0.00 C ATOM 397 C VAL A 26 -3.458 -14.179 -7.972 1.00 0.00 C ATOM 398 O VAL A 26 -3.626 -13.147 -8.621 1.00 0.00 O ATOM 399 CB VAL A 26 -5.273 -13.415 -6.349 1.00 0.00 C ATOM 400 CG1 VAL A 26 -4.840 -11.954 -6.211 1.00 0.00 C ATOM 401 CG2 VAL A 26 -6.300 -13.580 -7.471 1.00 0.00 C ATOM 0 H VAL A 26 -2.643 -13.116 -5.622 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.424 -15.351 -6.483 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.748 -13.713 -5.414 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.718 -11.328 -6.051 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.163 -11.854 -5.362 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.330 -11.638 -7.121 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.149 -12.922 -7.287 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.841 -13.322 -8.425 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.643 -14.614 -7.502 1.00 0.00 H new ATOM 411 N SER A 27 -2.766 -15.227 -8.395 1.00 0.00 N ATOM 412 CA SER A 27 -2.134 -15.227 -9.704 1.00 0.00 C ATOM 413 C SER A 27 -3.184 -15.456 -10.792 1.00 0.00 C ATOM 414 O SER A 27 -4.251 -16.007 -10.524 1.00 0.00 O ATOM 415 CB SER A 27 -1.042 -16.295 -9.787 1.00 0.00 C ATOM 416 OG SER A 27 -0.331 -16.237 -11.021 1.00 0.00 O ATOM 0 H SER A 27 -2.629 -16.081 -7.855 1.00 0.00 H new ATOM 0 HA SER A 27 -1.667 -14.255 -9.859 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.344 -16.165 -8.960 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.491 -17.282 -9.673 1.00 0.00 H new ATOM 0 HG SER A 27 0.358 -16.933 -11.034 1.00 0.00 H new ATOM 422 N GLY A 28 -2.846 -15.021 -11.997 1.00 0.00 N ATOM 423 CA GLY A 28 -3.747 -15.171 -13.127 1.00 0.00 C ATOM 424 C GLY A 28 -4.818 -14.078 -13.124 1.00 0.00 C ATOM 425 O GLY A 28 -4.899 -13.286 -12.186 1.00 0.00 O ATOM 0 H GLY A 28 -1.960 -14.565 -12.215 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.180 -15.127 -14.057 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.223 -16.151 -13.090 1.00 0.00 H new ATOM 429 N ASP A 29 -5.612 -14.070 -14.184 1.00 0.00 N ATOM 430 CA ASP A 29 -6.674 -13.086 -14.316 1.00 0.00 C ATOM 431 C ASP A 29 -7.400 -13.302 -15.645 1.00 0.00 C ATOM 432 O ASP A 29 -6.814 -13.805 -16.603 1.00 0.00 O ATOM 433 CB ASP A 29 -6.111 -11.664 -14.310 1.00 0.00 C ATOM 434 CG ASP A 29 -6.172 -10.950 -12.958 1.00 0.00 C ATOM 435 OD1 ASP A 29 -5.149 -10.481 -12.437 1.00 0.00 O ATOM 436 OD2 ASP A 29 -7.346 -10.885 -12.428 1.00 0.00 O ATOM 0 H ASP A 29 -5.542 -14.729 -14.960 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.354 -13.208 -13.473 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.072 -11.699 -14.639 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.657 -11.070 -15.043 1.00 0.00 H new ATOM 442 N GLY A 30 -8.666 -12.909 -15.662 1.00 0.00 N ATOM 443 CA GLY A 30 -9.478 -13.053 -16.858 1.00 0.00 C ATOM 444 C GLY A 30 -10.548 -14.129 -16.668 1.00 0.00 C ATOM 445 O GLY A 30 -11.556 -14.140 -17.373 1.00 0.00 O ATOM 0 H GLY A 30 -9.149 -12.491 -14.866 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.953 -12.101 -17.096 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.842 -13.313 -17.704 1.00 0.00 H new ATOM 449 N SER A 31 -10.293 -15.009 -15.711 1.00 0.00 N ATOM 450 CA SER A 31 -11.223 -16.088 -15.419 1.00 0.00 C ATOM 451 C SER A 31 -10.489 -17.237 -14.725 1.00 0.00 C ATOM 452 O SER A 31 -11.100 -18.019 -13.998 1.00 0.00 O ATOM 453 CB SER A 31 -11.906 -16.587 -16.694 1.00 0.00 C ATOM 454 OG SER A 31 -13.153 -15.936 -16.921 1.00 0.00 O ATOM 0 H SER A 31 -9.456 -14.997 -15.128 1.00 0.00 H new ATOM 0 HA SER A 31 -11.995 -15.703 -14.753 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.249 -16.419 -17.547 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.066 -17.663 -16.622 1.00 0.00 H new ATOM 0 HG SER A 31 -13.000 -15.095 -17.400 1.00 0.00 H new ATOM 460 N HIS A 32 -9.189 -17.303 -14.973 1.00 0.00 N ATOM 461 CA HIS A 32 -8.366 -18.344 -14.382 1.00 0.00 C ATOM 462 C HIS A 32 -7.252 -17.706 -13.549 1.00 0.00 C ATOM 463 O HIS A 32 -6.406 -16.990 -14.082 1.00 0.00 O ATOM 464 CB HIS A 32 -7.832 -19.292 -15.458 1.00 0.00 C ATOM 465 CG HIS A 32 -6.500 -18.878 -16.036 1.00 0.00 C ATOM 466 ND1 HIS A 32 -6.377 -17.905 -17.013 1.00 0.00 N ATOM 467 CD2 HIS A 32 -5.237 -19.313 -15.764 1.00 0.00 C ATOM 468 CE1 HIS A 32 -5.093 -17.770 -17.309 1.00 0.00 C ATOM 469 NE2 HIS A 32 -4.388 -18.644 -16.534 1.00 0.00 N ATOM 0 H HIS A 32 -8.685 -16.652 -15.576 1.00 0.00 H new ATOM 0 HA HIS A 32 -8.971 -18.954 -13.711 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -7.737 -20.291 -15.033 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -8.562 -19.357 -16.265 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -4.972 -20.073 -15.044 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -4.677 -17.088 -18.036 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -3.375 -18.764 -16.545 1.00 0.00 H new ATOM 477 N PHE A 33 -7.289 -17.988 -12.255 1.00 0.00 N ATOM 478 CA PHE A 33 -6.293 -17.451 -11.343 1.00 0.00 C ATOM 479 C PHE A 33 -6.036 -18.414 -10.182 1.00 0.00 C ATOM 480 O PHE A 33 -6.968 -19.022 -9.658 1.00 0.00 O ATOM 481 CB PHE A 33 -6.856 -16.141 -10.788 1.00 0.00 C ATOM 482 CG PHE A 33 -8.373 -16.006 -10.929 1.00 0.00 C ATOM 483 CD1 PHE A 33 -8.917 -15.656 -12.126 1.00 0.00 C ATOM 484 CD2 PHE A 33 -9.179 -16.235 -9.858 1.00 0.00 C ATOM 485 CE1 PHE A 33 -10.325 -15.531 -12.257 1.00 0.00 C ATOM 486 CE2 PHE A 33 -10.587 -16.110 -9.989 1.00 0.00 C ATOM 487 CZ PHE A 33 -11.131 -15.761 -11.186 1.00 0.00 C ATOM 0 H PHE A 33 -7.993 -18.581 -11.816 1.00 0.00 H new ATOM 0 HA PHE A 33 -5.350 -17.299 -11.869 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.591 -16.062 -9.734 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.378 -15.306 -11.301 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -8.277 -15.473 -12.977 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.748 -16.512 -8.907 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -10.756 -15.253 -13.207 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -11.227 -16.292 -9.138 1.00 0.00 H new ATOM 0 HZ PHE A 33 -12.202 -15.667 -11.286 1.00 0.00 H new ATOM 497 N GLN A 34 -4.768 -18.523 -9.815 1.00 0.00 N ATOM 498 CA GLN A 34 -4.377 -19.401 -8.726 1.00 0.00 C ATOM 499 C GLN A 34 -4.379 -18.637 -7.401 1.00 0.00 C ATOM 500 O GLN A 34 -3.985 -17.473 -7.351 1.00 0.00 O ATOM 501 CB GLN A 34 -3.008 -20.031 -8.994 1.00 0.00 C ATOM 502 CG GLN A 34 -2.317 -20.418 -7.685 1.00 0.00 C ATOM 503 CD GLN A 34 -1.483 -21.689 -7.861 1.00 0.00 C ATOM 504 OE1 GLN A 34 -1.544 -22.523 -6.826 1.00 0.00 O flip ATOM 505 NE2 GLN A 34 -0.829 -21.899 -8.869 1.00 0.00 N flip ATOM 0 H GLN A 34 -3.998 -18.018 -10.253 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.105 -20.209 -8.658 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -3.127 -20.914 -9.622 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -2.383 -19.329 -9.546 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.676 -19.601 -7.352 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.064 -20.574 -6.907 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.826 -21.216 -9.627 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -0.285 -22.757 -8.954 1.00 0.00 H new ATOM 514 N VAL A 35 -4.826 -19.323 -6.359 1.00 0.00 N ATOM 515 CA VAL A 35 -4.885 -18.724 -5.037 1.00 0.00 C ATOM 516 C VAL A 35 -3.890 -19.433 -4.116 1.00 0.00 C ATOM 517 O VAL A 35 -4.205 -20.473 -3.540 1.00 0.00 O ATOM 518 CB VAL A 35 -6.320 -18.761 -4.509 1.00 0.00 C ATOM 519 CG1 VAL A 35 -6.365 -18.410 -3.020 1.00 0.00 C ATOM 520 CG2 VAL A 35 -7.226 -17.832 -5.318 1.00 0.00 C ATOM 0 H VAL A 35 -5.151 -20.289 -6.404 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.596 -17.674 -5.080 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.694 -19.778 -4.626 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.397 -18.443 -2.669 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.767 -19.128 -2.459 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.963 -17.408 -2.870 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.240 -17.877 -4.922 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.854 -16.810 -5.248 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.230 -18.146 -6.362 1.00 0.00 H new ATOM 530 N ILE A 36 -2.709 -18.842 -4.005 1.00 0.00 N ATOM 531 CA ILE A 36 -1.667 -19.404 -3.164 1.00 0.00 C ATOM 532 C ILE A 36 -1.763 -18.795 -1.764 1.00 0.00 C ATOM 533 O ILE A 36 -2.065 -17.612 -1.617 1.00 0.00 O ATOM 534 CB ILE A 36 -0.295 -19.225 -3.819 1.00 0.00 C ATOM 535 CG1 ILE A 36 0.228 -20.554 -4.367 1.00 0.00 C ATOM 536 CG2 ILE A 36 0.694 -18.575 -2.850 1.00 0.00 C ATOM 537 CD1 ILE A 36 1.430 -20.333 -5.287 1.00 0.00 C ATOM 0 H ILE A 36 -2.451 -17.979 -4.484 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.805 -20.480 -3.055 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.406 -18.549 -4.667 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.513 -21.205 -3.541 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.565 -21.063 -4.915 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.661 -18.459 -3.340 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.320 -17.596 -2.550 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.807 -19.206 -1.968 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.782 -21.294 -5.663 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.135 -19.701 -6.125 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.230 -19.846 -4.730 1.00 0.00 H new ATOM 549 N ALA A 37 -1.503 -19.632 -0.770 1.00 0.00 N ATOM 550 CA ALA A 37 -1.557 -19.191 0.613 1.00 0.00 C ATOM 551 C ALA A 37 -0.134 -18.969 1.129 1.00 0.00 C ATOM 552 O ALA A 37 0.570 -19.925 1.451 1.00 0.00 O ATOM 553 CB ALA A 37 -2.325 -20.218 1.447 1.00 0.00 C ATOM 0 H ALA A 37 -1.254 -20.613 -0.895 1.00 0.00 H new ATOM 0 HA ALA A 37 -2.089 -18.243 0.693 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.365 -19.887 2.485 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.338 -20.318 1.058 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.819 -21.182 1.393 1.00 0.00 H new ATOM 559 N VAL A 38 0.248 -17.702 1.192 1.00 0.00 N ATOM 560 CA VAL A 38 1.575 -17.342 1.663 1.00 0.00 C ATOM 561 C VAL A 38 1.596 -17.383 3.192 1.00 0.00 C ATOM 562 O VAL A 38 0.597 -17.075 3.839 1.00 0.00 O ATOM 563 CB VAL A 38 1.980 -15.980 1.096 1.00 0.00 C ATOM 564 CG1 VAL A 38 3.332 -15.533 1.656 1.00 0.00 C ATOM 565 CG2 VAL A 38 2.003 -16.008 -0.434 1.00 0.00 C ATOM 0 H VAL A 38 -0.338 -16.911 0.925 1.00 0.00 H new ATOM 0 HA VAL A 38 2.315 -18.060 1.308 1.00 0.00 H new ATOM 0 HB VAL A 38 1.231 -15.252 1.407 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.596 -14.562 1.237 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.268 -15.455 2.741 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.096 -16.263 1.389 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.294 -15.028 -0.812 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.720 -16.755 -0.773 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.011 -16.261 -0.808 1.00 0.00 H new ATOM 575 N GLY A 39 2.747 -17.766 3.726 1.00 0.00 N ATOM 576 CA GLY A 39 2.912 -17.851 5.167 1.00 0.00 C ATOM 577 C GLY A 39 4.170 -18.643 5.529 1.00 0.00 C ATOM 578 O GLY A 39 5.286 -18.181 5.301 1.00 0.00 O ATOM 0 H GLY A 39 3.574 -18.021 3.186 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.975 -16.848 5.589 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.038 -18.328 5.609 1.00 0.00 H new ATOM 582 N GLU A 40 3.946 -19.824 6.087 1.00 0.00 N ATOM 583 CA GLU A 40 5.048 -20.685 6.483 1.00 0.00 C ATOM 584 C GLU A 40 4.515 -21.960 7.140 1.00 0.00 C ATOM 585 O GLU A 40 5.129 -23.021 7.033 1.00 0.00 O ATOM 586 CB GLU A 40 6.011 -19.949 7.416 1.00 0.00 C ATOM 587 CG GLU A 40 7.365 -19.724 6.740 1.00 0.00 C ATOM 588 CD GLU A 40 8.301 -18.917 7.642 1.00 0.00 C ATOM 589 OE1 GLU A 40 8.582 -19.335 8.775 1.00 0.00 O ATOM 590 OE2 GLU A 40 8.743 -17.820 7.126 1.00 0.00 O ATOM 0 H GLU A 40 3.018 -20.205 6.274 1.00 0.00 H new ATOM 0 HA GLU A 40 5.604 -20.965 5.589 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.581 -18.990 7.705 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.149 -20.525 8.331 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.821 -20.685 6.503 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.221 -19.198 5.796 1.00 0.00 H new ATOM 598 N LEU A 41 3.379 -21.814 7.805 1.00 0.00 N ATOM 599 CA LEU A 41 2.756 -22.941 8.480 1.00 0.00 C ATOM 600 C LEU A 41 2.878 -24.187 7.600 1.00 0.00 C ATOM 601 O LEU A 41 3.298 -25.244 8.069 1.00 0.00 O ATOM 602 CB LEU A 41 1.316 -22.603 8.870 1.00 0.00 C ATOM 603 CG LEU A 41 0.381 -23.795 9.081 1.00 0.00 C ATOM 604 CD1 LEU A 41 1.014 -24.832 10.010 1.00 0.00 C ATOM 605 CD2 LEU A 41 -0.989 -23.336 9.584 1.00 0.00 C ATOM 0 H LEU A 41 2.873 -20.933 7.891 1.00 0.00 H new ATOM 0 HA LEU A 41 3.272 -23.158 9.415 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.337 -22.016 9.788 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.891 -21.966 8.095 1.00 0.00 H new ATOM 0 HG LEU A 41 0.224 -24.279 8.117 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.328 -25.669 10.143 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.945 -25.192 9.572 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.221 -24.375 10.978 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.634 -24.203 9.726 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.872 -22.812 10.533 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.439 -22.665 8.853 1.00 0.00 H new ATOM 617 N PHE A 42 2.504 -24.022 6.340 1.00 0.00 N ATOM 618 CA PHE A 42 2.566 -25.120 5.390 1.00 0.00 C ATOM 619 C PHE A 42 3.961 -25.232 4.772 1.00 0.00 C ATOM 620 O PHE A 42 4.099 -25.577 3.600 1.00 0.00 O ATOM 621 CB PHE A 42 1.554 -24.813 4.285 1.00 0.00 C ATOM 622 CG PHE A 42 0.106 -25.131 4.661 1.00 0.00 C ATOM 623 CD1 PHE A 42 -0.205 -26.335 5.211 1.00 0.00 C ATOM 624 CD2 PHE A 42 -0.871 -24.209 4.445 1.00 0.00 C ATOM 625 CE1 PHE A 42 -1.550 -26.630 5.560 1.00 0.00 C ATOM 626 CE2 PHE A 42 -2.215 -24.504 4.795 1.00 0.00 C ATOM 627 CZ PHE A 42 -2.526 -25.709 5.345 1.00 0.00 C ATOM 0 H PHE A 42 2.157 -23.144 5.954 1.00 0.00 H new ATOM 0 HA PHE A 42 2.345 -26.061 5.894 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.627 -23.758 4.023 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.821 -25.382 3.394 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.570 -27.067 5.382 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.624 -23.253 4.007 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -1.797 -27.587 5.996 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.990 -23.772 4.625 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.548 -25.934 5.611 1.00 0.00 H new ATOM 637 N ASP A 43 4.961 -24.933 5.589 1.00 0.00 N ATOM 638 CA ASP A 43 6.341 -24.996 5.137 1.00 0.00 C ATOM 639 C ASP A 43 6.946 -26.340 5.545 1.00 0.00 C ATOM 640 O ASP A 43 7.778 -26.401 6.449 1.00 0.00 O ATOM 641 CB ASP A 43 7.180 -23.886 5.774 1.00 0.00 C ATOM 642 CG ASP A 43 8.653 -23.873 5.362 1.00 0.00 C ATOM 643 OD1 ASP A 43 9.493 -24.550 5.974 1.00 0.00 O ATOM 644 OD2 ASP A 43 8.931 -23.118 4.354 1.00 0.00 O ATOM 0 H ASP A 43 4.843 -24.647 6.561 1.00 0.00 H new ATOM 0 HA ASP A 43 6.347 -24.876 4.054 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.738 -22.924 5.517 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.122 -23.984 6.858 1.00 0.00 H new ATOM 650 N GLY A 44 6.505 -27.385 4.860 1.00 0.00 N ATOM 651 CA GLY A 44 6.993 -28.724 5.140 1.00 0.00 C ATOM 652 C GLY A 44 5.924 -29.774 4.826 1.00 0.00 C ATOM 653 O GLY A 44 6.240 -30.945 4.626 1.00 0.00 O ATOM 0 H GLY A 44 5.814 -27.331 4.111 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.886 -28.921 4.547 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.283 -28.797 6.188 1.00 0.00 H new ATOM 657 N MET A 45 4.682 -29.315 4.794 1.00 0.00 N ATOM 658 CA MET A 45 3.565 -30.200 4.508 1.00 0.00 C ATOM 659 C MET A 45 3.648 -30.744 3.081 1.00 0.00 C ATOM 660 O MET A 45 4.213 -30.100 2.199 1.00 0.00 O ATOM 661 CB MET A 45 2.251 -29.437 4.689 1.00 0.00 C ATOM 662 CG MET A 45 1.048 -30.355 4.456 1.00 0.00 C ATOM 663 SD MET A 45 -0.458 -29.515 4.916 1.00 0.00 S ATOM 664 CE MET A 45 -0.585 -30.020 6.623 1.00 0.00 C ATOM 0 H MET A 45 4.424 -28.342 4.961 1.00 0.00 H new ATOM 0 HA MET A 45 3.605 -31.041 5.200 1.00 0.00 H new ATOM 0 HB2 MET A 45 2.205 -29.019 5.694 1.00 0.00 H new ATOM 0 HB3 MET A 45 2.214 -28.599 3.993 1.00 0.00 H new ATOM 0 HG2 MET A 45 1.004 -30.651 3.408 1.00 0.00 H new ATOM 0 HG3 MET A 45 1.158 -31.268 5.041 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.478 -29.581 7.067 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.650 -31.107 6.677 1.00 0.00 H new ATOM 0 HE3 MET A 45 0.295 -29.681 7.169 1.00 0.00 H new ATOM 674 N SER A 46 3.075 -31.925 2.898 1.00 0.00 N ATOM 675 CA SER A 46 3.077 -32.563 1.592 1.00 0.00 C ATOM 676 C SER A 46 2.083 -31.861 0.665 1.00 0.00 C ATOM 677 O SER A 46 0.896 -31.774 0.974 1.00 0.00 O ATOM 678 CB SER A 46 2.738 -34.051 1.706 1.00 0.00 C ATOM 679 OG SER A 46 2.333 -34.603 0.456 1.00 0.00 O ATOM 0 H SER A 46 2.607 -32.456 3.632 1.00 0.00 H new ATOM 0 HA SER A 46 4.079 -32.478 1.171 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.607 -34.594 2.077 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.941 -34.186 2.437 1.00 0.00 H new ATOM 0 HG SER A 46 2.127 -35.554 0.570 1.00 0.00 H new ATOM 685 N ARG A 47 2.605 -31.378 -0.453 1.00 0.00 N ATOM 686 CA ARG A 47 1.779 -30.686 -1.427 1.00 0.00 C ATOM 687 C ARG A 47 0.402 -31.347 -1.519 1.00 0.00 C ATOM 688 O ARG A 47 -0.600 -30.672 -1.749 1.00 0.00 O ATOM 689 CB ARG A 47 2.434 -30.694 -2.810 1.00 0.00 C ATOM 690 CG ARG A 47 1.535 -30.016 -3.846 1.00 0.00 C ATOM 691 CD ARG A 47 2.319 -29.682 -5.117 1.00 0.00 C ATOM 692 NE ARG A 47 2.486 -30.898 -5.943 1.00 0.00 N ATOM 693 CZ ARG A 47 3.402 -31.026 -6.926 1.00 0.00 C ATOM 694 NH1 ARG A 47 4.245 -30.011 -7.213 1.00 0.00 N ATOM 695 NH2 ARG A 47 3.463 -32.159 -7.601 1.00 0.00 N ATOM 0 H ARG A 47 3.590 -31.452 -0.706 1.00 0.00 H new ATOM 0 HA ARG A 47 1.670 -29.653 -1.095 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.394 -30.180 -2.765 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.636 -31.721 -3.115 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.699 -30.671 -4.092 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.112 -29.104 -3.425 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.795 -28.915 -5.687 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.295 -29.273 -4.855 1.00 0.00 H new ATOM 0 HE ARG A 47 1.870 -31.690 -5.758 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.192 -29.140 -6.685 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.934 -30.116 -7.957 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.824 -32.921 -7.377 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.149 -32.272 -8.347 1.00 0.00 H new ATOM 708 N VAL A 48 0.397 -32.659 -1.335 1.00 0.00 N ATOM 709 CA VAL A 48 -0.840 -33.419 -1.395 1.00 0.00 C ATOM 710 C VAL A 48 -1.642 -33.181 -0.113 1.00 0.00 C ATOM 711 O VAL A 48 -2.682 -32.524 -0.140 1.00 0.00 O ATOM 712 CB VAL A 48 -0.536 -34.897 -1.644 1.00 0.00 C ATOM 713 CG1 VAL A 48 -1.811 -35.740 -1.571 1.00 0.00 C ATOM 714 CG2 VAL A 48 0.175 -35.092 -2.985 1.00 0.00 C ATOM 0 H VAL A 48 1.230 -33.215 -1.144 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.454 -33.083 -2.231 1.00 0.00 H new ATOM 0 HB VAL A 48 0.136 -35.238 -0.856 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.566 -36.787 -1.752 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.259 -35.638 -0.583 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.518 -35.397 -2.327 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.380 -36.152 -3.138 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.461 -34.726 -3.791 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.114 -34.538 -2.983 1.00 0.00 H new ATOM 724 N LYS A 49 -1.128 -33.728 0.978 1.00 0.00 N ATOM 725 CA LYS A 49 -1.782 -33.583 2.267 1.00 0.00 C ATOM 726 C LYS A 49 -2.300 -32.151 2.414 1.00 0.00 C ATOM 727 O LYS A 49 -3.354 -31.926 3.006 1.00 0.00 O ATOM 728 CB LYS A 49 -0.845 -34.018 3.396 1.00 0.00 C ATOM 729 CG LYS A 49 -1.540 -35.004 4.337 1.00 0.00 C ATOM 730 CD LYS A 49 -1.820 -34.360 5.697 1.00 0.00 C ATOM 731 CE LYS A 49 -2.707 -35.260 6.558 1.00 0.00 C ATOM 732 NZ LYS A 49 -4.135 -34.922 6.362 1.00 0.00 N ATOM 0 H LYS A 49 -0.266 -34.273 0.996 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.647 -34.243 2.331 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.048 -34.480 2.975 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.517 -33.144 3.958 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.476 -35.340 3.890 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.915 -35.887 4.471 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.879 -34.169 6.214 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.306 -33.395 5.553 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.536 -36.305 6.299 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.441 -35.145 7.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.723 -35.543 6.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.297 -33.931 6.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.389 -35.055 5.362 1.00 0.00 H new ATOM 745 N LYS A 50 -1.533 -31.220 1.866 1.00 0.00 N ATOM 746 CA LYS A 50 -1.901 -29.816 1.928 1.00 0.00 C ATOM 747 C LYS A 50 -3.126 -29.574 1.045 1.00 0.00 C ATOM 748 O LYS A 50 -4.238 -29.422 1.548 1.00 0.00 O ATOM 749 CB LYS A 50 -0.703 -28.932 1.573 1.00 0.00 C ATOM 750 CG LYS A 50 -1.123 -27.467 1.440 1.00 0.00 C ATOM 751 CD LYS A 50 -0.165 -26.703 0.524 1.00 0.00 C ATOM 752 CE LYS A 50 -0.320 -27.153 -0.930 1.00 0.00 C ATOM 753 NZ LYS A 50 1.003 -27.260 -1.584 1.00 0.00 N ATOM 0 H LYS A 50 -0.658 -31.411 1.377 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.181 -29.541 2.945 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.063 -29.026 2.342 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.259 -29.273 0.638 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.136 -27.410 1.041 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.141 -26.999 2.424 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.359 -25.633 0.600 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.862 -26.864 0.851 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.829 -28.116 -0.966 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.944 -26.442 -1.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.103 -28.202 -2.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.085 -26.533 -2.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.752 -27.120 -0.877 1.00 0.00 H new ATOM 766 N GLN A 51 -2.882 -29.545 -0.257 1.00 0.00 N ATOM 767 CA GLN A 51 -3.952 -29.325 -1.215 1.00 0.00 C ATOM 768 C GLN A 51 -5.222 -30.053 -0.769 1.00 0.00 C ATOM 769 O GLN A 51 -6.330 -29.567 -0.991 1.00 0.00 O ATOM 770 CB GLN A 51 -3.531 -29.766 -2.618 1.00 0.00 C ATOM 771 CG GLN A 51 -3.920 -28.717 -3.662 1.00 0.00 C ATOM 772 CD GLN A 51 -5.314 -28.998 -4.228 1.00 0.00 C ATOM 773 OE1 GLN A 51 -5.801 -30.117 -4.221 1.00 0.00 O ATOM 774 NE2 GLN A 51 -5.926 -27.923 -4.717 1.00 0.00 N ATOM 0 H GLN A 51 -1.958 -29.670 -0.671 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.164 -28.257 -1.254 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.453 -29.928 -2.644 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -4.003 -30.718 -2.861 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.900 -27.725 -3.211 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.189 -28.715 -4.470 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -5.461 -27.016 -4.691 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -6.860 -28.006 -5.118 1.00 0.00 H new ATOM 783 N GLN A 52 -5.018 -31.206 -0.149 1.00 0.00 N ATOM 784 CA GLN A 52 -6.133 -32.005 0.330 1.00 0.00 C ATOM 785 C GLN A 52 -6.878 -31.264 1.442 1.00 0.00 C ATOM 786 O GLN A 52 -7.985 -30.771 1.230 1.00 0.00 O ATOM 787 CB GLN A 52 -5.657 -33.378 0.810 1.00 0.00 C ATOM 788 CG GLN A 52 -6.844 -34.281 1.151 1.00 0.00 C ATOM 789 CD GLN A 52 -6.771 -35.598 0.375 1.00 0.00 C ATOM 790 OE1 GLN A 52 -5.752 -35.961 -0.188 1.00 0.00 O ATOM 791 NE2 GLN A 52 -7.907 -36.289 0.376 1.00 0.00 N ATOM 0 H GLN A 52 -4.097 -31.606 0.033 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.823 -32.165 -0.499 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.049 -33.847 0.036 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.021 -33.260 1.687 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.854 -34.486 2.222 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.776 -33.767 0.916 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.724 -35.927 0.868 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.962 -37.181 -0.115 1.00 0.00 H new ATOM 800 N THR A 53 -6.242 -31.209 2.603 1.00 0.00 N ATOM 801 CA THR A 53 -6.832 -30.537 3.748 1.00 0.00 C ATOM 802 C THR A 53 -7.285 -29.127 3.363 1.00 0.00 C ATOM 803 O THR A 53 -8.121 -28.533 4.042 1.00 0.00 O ATOM 804 CB THR A 53 -5.810 -30.558 4.886 1.00 0.00 C ATOM 805 OG1 THR A 53 -6.602 -30.461 6.066 1.00 0.00 O ATOM 806 CG2 THR A 53 -4.941 -29.298 4.916 1.00 0.00 C ATOM 0 H THR A 53 -5.324 -31.619 2.775 1.00 0.00 H new ATOM 0 HA THR A 53 -7.730 -31.051 4.090 1.00 0.00 H new ATOM 0 HB THR A 53 -5.173 -31.436 4.785 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.018 -30.469 6.853 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.233 -29.364 5.742 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.395 -29.210 3.977 1.00 0.00 H new ATOM 0 HG23 THR A 53 -5.575 -28.422 5.051 1.00 0.00 H new ATOM 814 N VAL A 54 -6.712 -28.632 2.276 1.00 0.00 N ATOM 815 CA VAL A 54 -7.047 -27.303 1.793 1.00 0.00 C ATOM 816 C VAL A 54 -8.301 -27.383 0.920 1.00 0.00 C ATOM 817 O VAL A 54 -9.088 -26.439 0.871 1.00 0.00 O ATOM 818 CB VAL A 54 -5.848 -26.695 1.063 1.00 0.00 C ATOM 819 CG1 VAL A 54 -6.277 -25.507 0.198 1.00 0.00 C ATOM 820 CG2 VAL A 54 -4.754 -26.286 2.051 1.00 0.00 C ATOM 0 H VAL A 54 -6.018 -29.127 1.716 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.274 -26.639 2.627 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.436 -27.459 0.403 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.406 -25.093 -0.310 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.005 -25.840 -0.542 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.727 -24.741 0.829 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.913 -25.857 1.506 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.150 -25.547 2.747 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.418 -27.163 2.605 1.00 0.00 H new ATOM 830 N TYR A 55 -8.447 -28.518 0.253 1.00 0.00 N ATOM 831 CA TYR A 55 -9.592 -28.733 -0.616 1.00 0.00 C ATOM 832 C TYR A 55 -10.790 -29.261 0.176 1.00 0.00 C ATOM 833 O TYR A 55 -11.935 -28.932 -0.130 1.00 0.00 O ATOM 834 CB TYR A 55 -9.159 -29.794 -1.630 1.00 0.00 C ATOM 835 CG TYR A 55 -10.168 -30.027 -2.756 1.00 0.00 C ATOM 836 CD1 TYR A 55 -10.890 -28.968 -3.265 1.00 0.00 C ATOM 837 CD2 TYR A 55 -10.355 -31.297 -3.262 1.00 0.00 C ATOM 838 CE1 TYR A 55 -11.840 -29.187 -4.325 1.00 0.00 C ATOM 839 CE2 TYR A 55 -11.305 -31.517 -4.322 1.00 0.00 C ATOM 840 CZ TYR A 55 -12.000 -30.451 -4.801 1.00 0.00 C ATOM 841 OH TYR A 55 -12.897 -30.659 -5.802 1.00 0.00 O ATOM 0 H TYR A 55 -7.792 -29.299 0.297 1.00 0.00 H new ATOM 0 HA TYR A 55 -9.894 -27.799 -1.091 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.205 -29.497 -2.066 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -8.991 -30.735 -1.106 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -10.743 -27.974 -2.869 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.789 -32.126 -2.863 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -12.412 -28.367 -4.732 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -11.462 -32.506 -4.727 1.00 0.00 H new ATOM 0 HH TYR A 55 -12.905 -31.609 -6.042 1.00 0.00 H new ATOM 851 N GLY A 56 -10.484 -30.071 1.179 1.00 0.00 N ATOM 852 CA GLY A 56 -11.521 -30.648 2.018 1.00 0.00 C ATOM 853 C GLY A 56 -12.592 -29.609 2.358 1.00 0.00 C ATOM 854 O GLY A 56 -13.781 -29.848 2.152 1.00 0.00 O ATOM 0 H GLY A 56 -9.533 -30.341 1.430 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.979 -31.494 1.506 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.078 -31.033 2.937 1.00 0.00 H new ATOM 858 N PRO A 57 -12.119 -28.449 2.886 1.00 0.00 N ATOM 859 CA PRO A 57 -13.022 -27.373 3.257 1.00 0.00 C ATOM 860 C PRO A 57 -13.539 -26.638 2.018 1.00 0.00 C ATOM 861 O PRO A 57 -14.746 -26.569 1.791 1.00 0.00 O ATOM 862 CB PRO A 57 -12.212 -26.479 4.182 1.00 0.00 C ATOM 863 CG PRO A 57 -10.754 -26.829 3.927 1.00 0.00 C ATOM 864 CD PRO A 57 -10.718 -28.131 3.144 1.00 0.00 C ATOM 0 HA PRO A 57 -13.920 -27.733 3.759 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.403 -25.426 3.974 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.479 -26.652 5.225 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -10.263 -26.033 3.367 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -10.216 -26.935 4.869 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.160 -28.018 2.214 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -10.231 -28.922 3.714 1.00 0.00 H new ATOM 872 N LEU A 58 -12.599 -26.109 1.249 1.00 0.00 N ATOM 873 CA LEU A 58 -12.943 -25.383 0.038 1.00 0.00 C ATOM 874 C LEU A 58 -13.132 -26.375 -1.111 1.00 0.00 C ATOM 875 O LEU A 58 -12.714 -26.113 -2.237 1.00 0.00 O ATOM 876 CB LEU A 58 -11.903 -24.299 -0.250 1.00 0.00 C ATOM 877 CG LEU A 58 -10.590 -24.778 -0.872 1.00 0.00 C ATOM 878 CD1 LEU A 58 -10.601 -24.589 -2.390 1.00 0.00 C ATOM 879 CD2 LEU A 58 -9.390 -24.089 -0.217 1.00 0.00 C ATOM 0 H LEU A 58 -11.599 -26.169 1.441 1.00 0.00 H new ATOM 0 HA LEU A 58 -13.890 -24.858 0.165 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.350 -23.562 -0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.674 -23.786 0.684 1.00 0.00 H new ATOM 0 HG LEU A 58 -10.492 -25.847 -0.682 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.656 -24.937 -2.807 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.421 -25.162 -2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.733 -23.533 -2.624 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -8.469 -24.447 -0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -9.469 -23.011 -0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -9.376 -24.318 0.849 1.00 0.00 H new ATOM 891 N MET A 59 -13.763 -27.494 -0.786 1.00 0.00 N ATOM 892 CA MET A 59 -14.012 -28.528 -1.777 1.00 0.00 C ATOM 893 C MET A 59 -15.303 -28.246 -2.549 1.00 0.00 C ATOM 894 O MET A 59 -15.358 -28.438 -3.763 1.00 0.00 O ATOM 895 CB MET A 59 -14.119 -29.886 -1.082 1.00 0.00 C ATOM 896 CG MET A 59 -13.049 -30.851 -1.596 1.00 0.00 C ATOM 897 SD MET A 59 -13.785 -32.431 -1.981 1.00 0.00 S ATOM 898 CE MET A 59 -14.698 -31.998 -3.452 1.00 0.00 C ATOM 0 H MET A 59 -14.109 -27.707 0.149 1.00 0.00 H new ATOM 0 HA MET A 59 -13.182 -28.536 -2.483 1.00 0.00 H new ATOM 0 HB2 MET A 59 -14.010 -29.757 -0.005 1.00 0.00 H new ATOM 0 HB3 MET A 59 -15.109 -30.310 -1.254 1.00 0.00 H new ATOM 0 HG2 MET A 59 -12.571 -30.437 -2.484 1.00 0.00 H new ATOM 0 HG3 MET A 59 -12.270 -30.977 -0.844 1.00 0.00 H new ATOM 0 HE1 MET A 59 -15.746 -32.268 -3.323 1.00 0.00 H new ATOM 0 HE2 MET A 59 -14.619 -30.925 -3.627 1.00 0.00 H new ATOM 0 HE3 MET A 59 -14.287 -32.536 -4.307 1.00 0.00 H new ATOM 908 N GLU A 60 -16.309 -27.796 -1.814 1.00 0.00 N ATOM 909 CA GLU A 60 -17.595 -27.486 -2.415 1.00 0.00 C ATOM 910 C GLU A 60 -17.504 -26.191 -3.226 1.00 0.00 C ATOM 911 O GLU A 60 -17.633 -26.210 -4.449 1.00 0.00 O ATOM 912 CB GLU A 60 -18.689 -27.390 -1.350 1.00 0.00 C ATOM 913 CG GLU A 60 -19.961 -28.107 -1.805 1.00 0.00 C ATOM 914 CD GLU A 60 -20.296 -29.273 -0.873 1.00 0.00 C ATOM 915 OE1 GLU A 60 -20.234 -30.439 -1.291 1.00 0.00 O ATOM 916 OE2 GLU A 60 -20.630 -28.935 0.326 1.00 0.00 O ATOM 0 H GLU A 60 -16.260 -27.639 -0.807 1.00 0.00 H new ATOM 0 HA GLU A 60 -17.863 -28.297 -3.092 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -18.334 -27.829 -0.418 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -18.911 -26.343 -1.145 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -20.792 -27.402 -1.825 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -19.831 -28.476 -2.822 1.00 0.00 H new ATOM 924 N TYR A 61 -17.281 -25.098 -2.512 1.00 0.00 N ATOM 925 CA TYR A 61 -17.171 -23.797 -3.150 1.00 0.00 C ATOM 926 C TYR A 61 -16.452 -23.905 -4.496 1.00 0.00 C ATOM 927 O TYR A 61 -16.880 -23.309 -5.483 1.00 0.00 O ATOM 928 CB TYR A 61 -16.333 -22.933 -2.205 1.00 0.00 C ATOM 929 CG TYR A 61 -16.817 -21.486 -2.091 1.00 0.00 C ATOM 930 CD1 TYR A 61 -16.751 -20.649 -3.186 1.00 0.00 C ATOM 931 CD2 TYR A 61 -17.319 -21.019 -0.893 1.00 0.00 C ATOM 932 CE1 TYR A 61 -17.206 -19.287 -3.078 1.00 0.00 C ATOM 933 CE2 TYR A 61 -17.774 -19.657 -0.786 1.00 0.00 C ATOM 934 CZ TYR A 61 -17.695 -18.858 -1.884 1.00 0.00 C ATOM 935 OH TYR A 61 -18.125 -17.572 -1.782 1.00 0.00 O ATOM 0 H TYR A 61 -17.173 -25.086 -1.498 1.00 0.00 H new ATOM 0 HA TYR A 61 -18.159 -23.376 -3.335 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -16.339 -23.386 -1.214 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -15.299 -22.933 -2.550 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -16.358 -21.015 -4.123 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -17.370 -21.675 -0.036 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -17.160 -18.621 -3.927 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -18.169 -19.278 0.145 1.00 0.00 H new ATOM 0 HH TYR A 61 -18.449 -17.407 -0.872 1.00 0.00 H new ATOM 945 N ILE A 62 -15.371 -24.671 -4.493 1.00 0.00 N ATOM 946 CA ILE A 62 -14.587 -24.865 -5.701 1.00 0.00 C ATOM 947 C ILE A 62 -15.368 -25.754 -6.672 1.00 0.00 C ATOM 948 O ILE A 62 -15.466 -25.445 -7.859 1.00 0.00 O ATOM 949 CB ILE A 62 -13.197 -25.403 -5.358 1.00 0.00 C ATOM 950 CG1 ILE A 62 -12.192 -24.260 -5.196 1.00 0.00 C ATOM 951 CG2 ILE A 62 -12.735 -26.430 -6.393 1.00 0.00 C ATOM 952 CD1 ILE A 62 -12.804 -23.098 -4.411 1.00 0.00 C ATOM 0 H ILE A 62 -15.019 -25.165 -3.673 1.00 0.00 H new ATOM 0 HA ILE A 62 -14.419 -23.912 -6.203 1.00 0.00 H new ATOM 0 HB ILE A 62 -13.257 -25.918 -4.399 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -11.303 -24.623 -4.681 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -11.871 -23.911 -6.178 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -11.744 -26.796 -6.125 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -13.436 -27.264 -6.416 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -12.695 -25.962 -7.377 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -12.069 -22.300 -4.310 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -13.679 -22.721 -4.941 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -13.101 -23.444 -3.421 1.00 0.00 H new ATOM 964 N ALA A 63 -15.903 -26.839 -6.131 1.00 0.00 N ATOM 965 CA ALA A 63 -16.671 -27.774 -6.935 1.00 0.00 C ATOM 966 C ALA A 63 -17.607 -26.995 -7.861 1.00 0.00 C ATOM 967 O ALA A 63 -17.780 -27.358 -9.024 1.00 0.00 O ATOM 968 CB ALA A 63 -17.427 -28.735 -6.016 1.00 0.00 C ATOM 0 H ALA A 63 -15.820 -27.091 -5.146 1.00 0.00 H new ATOM 0 HA ALA A 63 -16.011 -28.373 -7.562 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -18.004 -29.437 -6.619 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -16.715 -29.285 -5.400 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -18.102 -28.169 -5.374 1.00 0.00 H new ATOM 974 N ASP A 64 -18.187 -25.938 -7.311 1.00 0.00 N ATOM 975 CA ASP A 64 -19.101 -25.105 -8.073 1.00 0.00 C ATOM 976 C ASP A 64 -18.301 -24.066 -8.862 1.00 0.00 C ATOM 977 O ASP A 64 -18.615 -23.781 -10.016 1.00 0.00 O ATOM 978 CB ASP A 64 -20.065 -24.356 -7.149 1.00 0.00 C ATOM 979 CG ASP A 64 -21.545 -24.499 -7.507 1.00 0.00 C ATOM 980 OD1 ASP A 64 -21.916 -25.287 -8.390 1.00 0.00 O ATOM 981 OD2 ASP A 64 -22.345 -23.747 -6.828 1.00 0.00 O ATOM 0 H ASP A 64 -18.041 -25.640 -6.347 1.00 0.00 H new ATOM 0 HA ASP A 64 -19.670 -25.753 -8.740 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -19.917 -24.712 -6.129 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -19.805 -23.298 -7.158 1.00 0.00 H new ATOM 987 N ASN A 65 -17.281 -23.530 -8.208 1.00 0.00 N ATOM 988 CA ASN A 65 -16.433 -22.530 -8.834 1.00 0.00 C ATOM 989 C ASN A 65 -15.874 -23.089 -10.143 1.00 0.00 C ATOM 990 O ASN A 65 -15.431 -22.332 -11.006 1.00 0.00 O ATOM 991 CB ASN A 65 -15.252 -22.167 -7.932 1.00 0.00 C ATOM 992 CG ASN A 65 -14.627 -20.836 -8.356 1.00 0.00 C ATOM 993 OD1 ASN A 65 -14.007 -20.880 -9.531 1.00 0.00 O flip ATOM 994 ND2 ASN A 65 -14.703 -19.836 -7.662 1.00 0.00 N flip ATOM 0 H ASN A 65 -17.023 -23.769 -7.251 1.00 0.00 H new ATOM 0 HA ASN A 65 -17.037 -21.640 -9.013 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.587 -22.102 -6.897 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -14.501 -22.956 -7.975 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -15.195 -19.871 -6.769 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -14.275 -18.965 -7.975 1.00 0.00 H new ATOM 1001 N ARG A 66 -15.914 -24.409 -10.251 1.00 0.00 N ATOM 1002 CA ARG A 66 -15.416 -25.078 -11.441 1.00 0.00 C ATOM 1003 C ARG A 66 -15.720 -24.242 -12.686 1.00 0.00 C ATOM 1004 O ARG A 66 -14.952 -24.251 -13.646 1.00 0.00 O ATOM 1005 CB ARG A 66 -16.047 -26.463 -11.598 1.00 0.00 C ATOM 1006 CG ARG A 66 -17.567 -26.360 -11.743 1.00 0.00 C ATOM 1007 CD ARG A 66 -18.211 -27.747 -11.770 1.00 0.00 C ATOM 1008 NE ARG A 66 -18.360 -28.210 -13.168 1.00 0.00 N ATOM 1009 CZ ARG A 66 -18.602 -29.490 -13.520 1.00 0.00 C ATOM 1010 NH1 ARG A 66 -18.725 -30.449 -12.577 1.00 0.00 N ATOM 1011 NH2 ARG A 66 -18.717 -29.791 -14.800 1.00 0.00 N ATOM 0 H ARG A 66 -16.284 -25.033 -9.534 1.00 0.00 H new ATOM 0 HA ARG A 66 -14.338 -25.193 -11.331 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -15.628 -26.961 -12.472 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -15.802 -27.079 -10.733 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -17.976 -25.781 -10.915 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -17.813 -25.823 -12.659 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -17.598 -28.452 -11.208 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -19.186 -27.714 -11.284 1.00 0.00 H new ATOM 0 HE ARG A 66 -18.274 -27.518 -13.912 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -18.635 -30.208 -11.590 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -18.908 -31.414 -12.852 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -18.623 -29.061 -15.506 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -18.900 -30.754 -15.083 1.00 0.00 H new ATOM 1024 N ILE A 67 -16.842 -23.540 -12.629 1.00 0.00 N ATOM 1025 CA ILE A 67 -17.257 -22.700 -13.740 1.00 0.00 C ATOM 1026 C ILE A 67 -16.039 -21.960 -14.296 1.00 0.00 C ATOM 1027 O ILE A 67 -15.918 -21.779 -15.507 1.00 0.00 O ATOM 1028 CB ILE A 67 -18.399 -21.774 -13.315 1.00 0.00 C ATOM 1029 CG1 ILE A 67 -18.018 -20.970 -12.070 1.00 0.00 C ATOM 1030 CG2 ILE A 67 -19.696 -22.560 -13.115 1.00 0.00 C ATOM 1031 CD1 ILE A 67 -19.179 -20.086 -11.612 1.00 0.00 C ATOM 0 H ILE A 67 -17.477 -23.536 -11.831 1.00 0.00 H new ATOM 0 HA ILE A 67 -17.657 -23.310 -14.550 1.00 0.00 H new ATOM 0 HB ILE A 67 -18.576 -21.059 -14.118 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -17.735 -21.650 -11.266 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -17.147 -20.350 -12.285 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -20.492 -21.879 -12.813 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -19.972 -23.050 -14.049 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -19.550 -23.313 -12.340 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -18.882 -19.525 -10.726 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -19.444 -19.391 -12.409 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -20.040 -20.711 -11.374 1.00 0.00 H new ATOM 1043 N HIS A 68 -15.168 -21.551 -13.385 1.00 0.00 N ATOM 1044 CA HIS A 68 -13.964 -20.835 -13.770 1.00 0.00 C ATOM 1045 C HIS A 68 -12.735 -21.691 -13.459 1.00 0.00 C ATOM 1046 O HIS A 68 -12.793 -22.917 -13.537 1.00 0.00 O ATOM 1047 CB HIS A 68 -13.913 -19.460 -13.101 1.00 0.00 C ATOM 1048 CG HIS A 68 -15.237 -18.732 -13.091 1.00 0.00 C ATOM 1049 ND1 HIS A 68 -15.823 -18.258 -11.930 1.00 0.00 N ATOM 1050 CD2 HIS A 68 -16.081 -18.403 -14.110 1.00 0.00 C ATOM 1051 CE1 HIS A 68 -16.967 -17.672 -12.248 1.00 0.00 C ATOM 1052 NE2 HIS A 68 -17.126 -17.763 -13.600 1.00 0.00 N ATOM 0 H HIS A 68 -15.272 -21.702 -12.382 1.00 0.00 H new ATOM 0 HA HIS A 68 -13.973 -20.653 -14.845 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -13.568 -19.580 -12.074 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -13.175 -18.844 -13.615 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -15.926 -18.626 -15.155 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -17.654 -17.204 -11.558 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -17.917 -17.399 -14.131 1.00 0.00 H new ATOM 1060 N ALA A 69 -11.652 -21.011 -13.112 1.00 0.00 N ATOM 1061 CA ALA A 69 -10.412 -21.695 -12.788 1.00 0.00 C ATOM 1062 C ALA A 69 -9.732 -20.981 -11.618 1.00 0.00 C ATOM 1063 O ALA A 69 -8.919 -20.080 -11.823 1.00 0.00 O ATOM 1064 CB ALA A 69 -9.522 -21.754 -14.031 1.00 0.00 C ATOM 0 H ALA A 69 -11.608 -19.994 -13.048 1.00 0.00 H new ATOM 0 HA ALA A 69 -10.609 -22.721 -12.479 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.591 -22.267 -13.788 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.039 -22.295 -14.823 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.301 -20.741 -14.368 1.00 0.00 H new ATOM 1070 N VAL A 70 -10.089 -21.410 -10.416 1.00 0.00 N ATOM 1071 CA VAL A 70 -9.523 -20.823 -9.213 1.00 0.00 C ATOM 1072 C VAL A 70 -8.642 -21.859 -8.512 1.00 0.00 C ATOM 1073 O VAL A 70 -9.144 -22.715 -7.784 1.00 0.00 O ATOM 1074 CB VAL A 70 -10.641 -20.285 -8.319 1.00 0.00 C ATOM 1075 CG1 VAL A 70 -11.511 -19.278 -9.074 1.00 0.00 C ATOM 1076 CG2 VAL A 70 -11.489 -21.426 -7.754 1.00 0.00 C ATOM 0 H VAL A 70 -10.763 -22.157 -10.249 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.888 -19.973 -9.464 1.00 0.00 H new ATOM 0 HB VAL A 70 -10.177 -19.765 -7.481 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -12.298 -18.911 -8.415 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.896 -18.441 -9.405 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -11.960 -19.763 -9.941 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -12.276 -21.016 -7.122 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -11.937 -21.987 -8.574 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.858 -22.090 -7.163 1.00 0.00 H new ATOM 1086 N SER A 71 -7.345 -21.748 -8.755 1.00 0.00 N ATOM 1087 CA SER A 71 -6.390 -22.664 -8.156 1.00 0.00 C ATOM 1088 C SER A 71 -6.246 -22.366 -6.662 1.00 0.00 C ATOM 1089 O SER A 71 -6.639 -21.297 -6.198 1.00 0.00 O ATOM 1090 CB SER A 71 -5.029 -22.572 -8.849 1.00 0.00 C ATOM 1091 OG SER A 71 -4.467 -23.858 -9.096 1.00 0.00 O ATOM 0 H SER A 71 -6.933 -21.037 -9.359 1.00 0.00 H new ATOM 0 HA SER A 71 -6.764 -23.680 -8.283 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.138 -22.037 -9.792 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.346 -21.991 -8.230 1.00 0.00 H new ATOM 0 HG SER A 71 -3.600 -23.756 -9.541 1.00 0.00 H new ATOM 1097 N ILE A 72 -5.681 -23.331 -5.951 1.00 0.00 N ATOM 1098 CA ILE A 72 -5.481 -23.186 -4.519 1.00 0.00 C ATOM 1099 C ILE A 72 -4.312 -24.071 -4.080 1.00 0.00 C ATOM 1100 O ILE A 72 -4.328 -25.281 -4.300 1.00 0.00 O ATOM 1101 CB ILE A 72 -6.782 -23.466 -3.764 1.00 0.00 C ATOM 1102 CG1 ILE A 72 -7.465 -22.163 -3.346 1.00 0.00 C ATOM 1103 CG2 ILE A 72 -6.536 -24.392 -2.572 1.00 0.00 C ATOM 1104 CD1 ILE A 72 -8.551 -21.766 -4.349 1.00 0.00 C ATOM 0 H ILE A 72 -5.356 -24.216 -6.340 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.213 -22.158 -4.274 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.463 -23.984 -4.439 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.905 -22.280 -2.356 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.724 -21.367 -3.273 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.477 -24.575 -2.053 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -6.127 -25.339 -2.925 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.829 -23.924 -1.887 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -9.021 -20.836 -4.028 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -8.104 -21.626 -5.333 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.303 -22.553 -4.401 1.00 0.00 H new ATOM 1116 N LYS A 73 -3.327 -23.433 -3.466 1.00 0.00 N ATOM 1117 CA LYS A 73 -2.152 -24.147 -2.994 1.00 0.00 C ATOM 1118 C LYS A 73 -1.423 -23.290 -1.957 1.00 0.00 C ATOM 1119 O LYS A 73 -0.991 -22.179 -2.258 1.00 0.00 O ATOM 1120 CB LYS A 73 -1.272 -24.568 -4.172 1.00 0.00 C ATOM 1121 CG LYS A 73 -1.557 -26.015 -4.579 1.00 0.00 C ATOM 1122 CD LYS A 73 -2.073 -26.089 -6.018 1.00 0.00 C ATOM 1123 CE LYS A 73 -1.465 -27.281 -6.758 1.00 0.00 C ATOM 1124 NZ LYS A 73 -2.140 -27.482 -8.060 1.00 0.00 N ATOM 0 H LYS A 73 -3.318 -22.429 -3.284 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.442 -25.072 -2.497 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.451 -23.906 -5.019 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.221 -24.463 -3.902 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.648 -26.609 -4.484 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.293 -26.449 -3.902 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.160 -26.175 -6.014 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.828 -25.166 -6.544 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.400 -27.113 -6.916 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -1.559 -28.181 -6.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.715 -28.295 -8.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.152 -27.663 -7.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.028 -26.629 -8.644 1.00 0.00 H new ATOM 1137 N ALA A 74 -1.309 -23.841 -0.757 1.00 0.00 N ATOM 1138 CA ALA A 74 -0.639 -23.141 0.326 1.00 0.00 C ATOM 1139 C ALA A 74 0.875 -23.301 0.172 1.00 0.00 C ATOM 1140 O ALA A 74 1.392 -24.416 0.214 1.00 0.00 O ATOM 1141 CB ALA A 74 -1.148 -23.672 1.668 1.00 0.00 C ATOM 0 H ALA A 74 -1.669 -24.763 -0.511 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.863 -22.075 0.291 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.646 -23.147 2.481 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.223 -23.508 1.740 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.938 -24.739 1.740 1.00 0.00 H new ATOM 1147 N TYR A 75 1.542 -22.170 -0.003 1.00 0.00 N ATOM 1148 CA TYR A 75 2.987 -22.171 -0.163 1.00 0.00 C ATOM 1149 C TYR A 75 3.611 -20.933 0.484 1.00 0.00 C ATOM 1150 O TYR A 75 2.906 -20.113 1.071 1.00 0.00 O ATOM 1151 CB TYR A 75 3.243 -22.127 -1.671 1.00 0.00 C ATOM 1152 CG TYR A 75 3.146 -23.491 -2.358 1.00 0.00 C ATOM 1153 CD1 TYR A 75 3.965 -24.526 -1.956 1.00 0.00 C ATOM 1154 CD2 TYR A 75 2.239 -23.685 -3.380 1.00 0.00 C ATOM 1155 CE1 TYR A 75 3.873 -25.810 -2.603 1.00 0.00 C ATOM 1156 CE2 TYR A 75 2.147 -24.968 -4.027 1.00 0.00 C ATOM 1157 CZ TYR A 75 2.969 -25.967 -3.607 1.00 0.00 C ATOM 1158 OH TYR A 75 2.882 -27.179 -4.218 1.00 0.00 O ATOM 0 H TYR A 75 1.109 -21.247 -0.038 1.00 0.00 H new ATOM 0 HA TYR A 75 3.426 -23.049 0.311 1.00 0.00 H new ATOM 0 HB2 TYR A 75 2.526 -21.448 -2.131 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.235 -21.712 -1.849 1.00 0.00 H new ATOM 0 HD1 TYR A 75 4.675 -24.374 -1.156 1.00 0.00 H new ATOM 0 HD2 TYR A 75 1.598 -22.874 -3.694 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.507 -26.629 -2.298 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.441 -25.133 -4.828 1.00 0.00 H new ATOM 0 HH TYR A 75 2.775 -27.052 -5.184 1.00 0.00 H new ATOM 1168 N THR A 76 4.926 -20.837 0.356 1.00 0.00 N ATOM 1169 CA THR A 76 5.653 -19.713 0.922 1.00 0.00 C ATOM 1170 C THR A 76 5.627 -18.523 -0.039 1.00 0.00 C ATOM 1171 O THR A 76 5.002 -18.588 -1.097 1.00 0.00 O ATOM 1172 CB THR A 76 7.067 -20.188 1.262 1.00 0.00 C ATOM 1173 OG1 THR A 76 7.808 -19.958 0.067 1.00 0.00 O ATOM 1174 CG2 THR A 76 7.144 -21.703 1.462 1.00 0.00 C ATOM 0 H THR A 76 5.507 -21.519 -0.131 1.00 0.00 H new ATOM 0 HA THR A 76 5.183 -19.360 1.840 1.00 0.00 H new ATOM 0 HB THR A 76 7.411 -19.685 2.166 1.00 0.00 H new ATOM 0 HG1 THR A 76 8.738 -20.237 0.200 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.169 -21.987 1.701 1.00 0.00 H new ATOM 0 HG22 THR A 76 6.486 -21.996 2.280 1.00 0.00 H new ATOM 0 HG23 THR A 76 6.832 -22.207 0.547 1.00 0.00 H new ATOM 1182 N PRO A 77 6.331 -17.436 0.373 1.00 0.00 N ATOM 1183 CA PRO A 77 6.394 -16.233 -0.439 1.00 0.00 C ATOM 1184 C PRO A 77 7.328 -16.427 -1.635 1.00 0.00 C ATOM 1185 O PRO A 77 7.031 -15.975 -2.740 1.00 0.00 O ATOM 1186 CB PRO A 77 6.863 -15.141 0.509 1.00 0.00 C ATOM 1187 CG PRO A 77 7.489 -15.860 1.694 1.00 0.00 C ATOM 1188 CD PRO A 77 7.083 -17.323 1.619 1.00 0.00 C ATOM 0 HA PRO A 77 5.431 -15.973 -0.879 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.586 -14.486 0.023 1.00 0.00 H new ATOM 0 HB3 PRO A 77 6.029 -14.515 0.827 1.00 0.00 H new ATOM 0 HG2 PRO A 77 8.574 -15.763 1.669 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.151 -15.418 2.631 1.00 0.00 H new ATOM 0 HD2 PRO A 77 7.956 -17.976 1.615 1.00 0.00 H new ATOM 0 HD3 PRO A 77 6.474 -17.609 2.476 1.00 0.00 H new ATOM 1196 N ALA A 78 8.439 -17.100 -1.374 1.00 0.00 N ATOM 1197 CA ALA A 78 9.419 -17.359 -2.416 1.00 0.00 C ATOM 1198 C ALA A 78 8.943 -18.530 -3.277 1.00 0.00 C ATOM 1199 O ALA A 78 9.237 -18.588 -4.470 1.00 0.00 O ATOM 1200 CB ALA A 78 10.785 -17.623 -1.778 1.00 0.00 C ATOM 0 H ALA A 78 8.683 -17.474 -0.457 1.00 0.00 H new ATOM 0 HA ALA A 78 9.525 -16.492 -3.067 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.520 -17.817 -2.559 1.00 0.00 H new ATOM 0 HB2 ALA A 78 11.091 -16.751 -1.200 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.718 -18.489 -1.120 1.00 0.00 H new ATOM 1206 N GLU A 79 8.215 -19.435 -2.640 1.00 0.00 N ATOM 1207 CA GLU A 79 7.695 -20.601 -3.333 1.00 0.00 C ATOM 1208 C GLU A 79 6.967 -20.178 -4.611 1.00 0.00 C ATOM 1209 O GLU A 79 6.993 -20.894 -5.611 1.00 0.00 O ATOM 1210 CB GLU A 79 6.774 -21.416 -2.422 1.00 0.00 C ATOM 1211 CG GLU A 79 6.406 -22.753 -3.069 1.00 0.00 C ATOM 1212 CD GLU A 79 7.075 -23.918 -2.338 1.00 0.00 C ATOM 1213 OE1 GLU A 79 6.861 -24.098 -1.130 1.00 0.00 O ATOM 1214 OE2 GLU A 79 7.841 -24.653 -3.071 1.00 0.00 O ATOM 0 H GLU A 79 7.973 -19.384 -1.650 1.00 0.00 H new ATOM 0 HA GLU A 79 8.535 -21.239 -3.610 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.267 -21.594 -1.466 1.00 0.00 H new ATOM 0 HB3 GLU A 79 5.868 -20.848 -2.213 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.324 -22.883 -3.054 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.712 -22.751 -4.115 1.00 0.00 H new ATOM 1222 N TRP A 80 6.334 -19.017 -4.536 1.00 0.00 N ATOM 1223 CA TRP A 80 5.600 -18.490 -5.674 1.00 0.00 C ATOM 1224 C TRP A 80 6.616 -18.069 -6.738 1.00 0.00 C ATOM 1225 O TRP A 80 6.379 -18.246 -7.932 1.00 0.00 O ATOM 1226 CB TRP A 80 4.673 -17.350 -5.249 1.00 0.00 C ATOM 1227 CG TRP A 80 3.241 -17.483 -5.773 1.00 0.00 C ATOM 1228 CD1 TRP A 80 2.112 -17.028 -5.213 1.00 0.00 C ATOM 1229 CD2 TRP A 80 2.829 -18.136 -6.992 1.00 0.00 C ATOM 1230 NE1 TRP A 80 1.007 -17.339 -5.978 1.00 0.00 N ATOM 1231 CE2 TRP A 80 1.457 -18.034 -7.094 1.00 0.00 C ATOM 1232 CE3 TRP A 80 3.591 -18.792 -7.975 1.00 0.00 C ATOM 1233 CZ2 TRP A 80 0.727 -18.565 -8.165 1.00 0.00 C ATOM 1234 CZ3 TRP A 80 2.846 -19.317 -9.038 1.00 0.00 C ATOM 1235 CH2 TRP A 80 1.465 -19.222 -9.156 1.00 0.00 C ATOM 0 H TRP A 80 6.314 -18.426 -3.705 1.00 0.00 H new ATOM 0 HA TRP A 80 4.947 -19.253 -6.098 1.00 0.00 H new ATOM 0 HB2 TRP A 80 4.648 -17.303 -4.160 1.00 0.00 H new ATOM 0 HB3 TRP A 80 5.091 -16.406 -5.599 1.00 0.00 H new ATOM 0 HD1 TRP A 80 2.072 -16.486 -4.280 1.00 0.00 H new ATOM 0 HE1 TRP A 80 0.038 -17.102 -5.764 1.00 0.00 H new ATOM 0 HE3 TRP A 80 4.665 -18.884 -7.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -0.347 -18.472 -8.223 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 3.383 -19.832 -9.821 1.00 0.00 H new ATOM 0 HH2 TRP A 80 0.963 -19.654 -10.009 1.00 0.00 H new ATOM 1246 N ALA A 81 7.726 -17.520 -6.266 1.00 0.00 N ATOM 1247 CA ALA A 81 8.778 -17.072 -7.162 1.00 0.00 C ATOM 1248 C ALA A 81 9.282 -18.261 -7.984 1.00 0.00 C ATOM 1249 O ALA A 81 9.326 -18.197 -9.211 1.00 0.00 O ATOM 1250 CB ALA A 81 9.893 -16.410 -6.350 1.00 0.00 C ATOM 0 H ALA A 81 7.919 -17.375 -5.275 1.00 0.00 H new ATOM 0 HA ALA A 81 8.397 -16.326 -7.860 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.682 -16.074 -7.022 1.00 0.00 H new ATOM 0 HB2 ALA A 81 9.490 -15.555 -5.808 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.303 -17.129 -5.641 1.00 0.00 H new ATOM 1256 N ARG A 82 9.651 -19.317 -7.273 1.00 0.00 N ATOM 1257 CA ARG A 82 10.150 -20.517 -7.921 1.00 0.00 C ATOM 1258 C ARG A 82 9.030 -21.201 -8.708 1.00 0.00 C ATOM 1259 O ARG A 82 9.190 -21.501 -9.890 1.00 0.00 O ATOM 1260 CB ARG A 82 10.717 -21.501 -6.896 1.00 0.00 C ATOM 1261 CG ARG A 82 11.472 -22.639 -7.587 1.00 0.00 C ATOM 1262 CD ARG A 82 11.468 -23.903 -6.725 1.00 0.00 C ATOM 1263 NE ARG A 82 12.735 -24.644 -6.907 1.00 0.00 N ATOM 1264 CZ ARG A 82 13.931 -24.227 -6.439 1.00 0.00 C ATOM 1265 NH1 ARG A 82 14.031 -23.068 -5.754 1.00 0.00 N ATOM 1266 NH2 ARG A 82 14.999 -24.969 -6.660 1.00 0.00 N ATOM 0 H ARG A 82 9.614 -19.366 -6.255 1.00 0.00 H new ATOM 0 HA ARG A 82 10.947 -20.219 -8.602 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.387 -20.976 -6.215 1.00 0.00 H new ATOM 0 HB3 ARG A 82 9.907 -21.911 -6.293 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.013 -22.851 -8.552 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.499 -22.332 -7.784 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.340 -23.637 -5.676 1.00 0.00 H new ATOM 0 HD3 ARG A 82 10.624 -24.537 -6.998 1.00 0.00 H new ATOM 0 HE ARG A 82 12.703 -25.526 -7.418 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.200 -22.501 -5.587 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.938 -22.759 -5.403 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.914 -25.844 -7.178 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.910 -24.668 -6.313 1.00 0.00 H new ATOM 1279 N ASP A 83 7.920 -21.427 -8.021 1.00 0.00 N ATOM 1280 CA ASP A 83 6.773 -22.069 -8.641 1.00 0.00 C ATOM 1281 C ASP A 83 6.478 -21.392 -9.981 1.00 0.00 C ATOM 1282 O ASP A 83 6.233 -22.066 -10.980 1.00 0.00 O ATOM 1283 CB ASP A 83 5.528 -21.941 -7.761 1.00 0.00 C ATOM 1284 CG ASP A 83 5.358 -23.045 -6.716 1.00 0.00 C ATOM 1285 OD1 ASP A 83 4.236 -23.497 -6.441 1.00 0.00 O ATOM 1286 OD2 ASP A 83 6.453 -23.449 -6.166 1.00 0.00 O ATOM 0 H ASP A 83 7.790 -21.177 -7.041 1.00 0.00 H new ATOM 0 HA ASP A 83 7.010 -23.124 -8.778 1.00 0.00 H new ATOM 0 HB2 ASP A 83 5.561 -20.979 -7.249 1.00 0.00 H new ATOM 0 HB3 ASP A 83 4.647 -21.931 -8.403 1.00 0.00 H new ATOM 1292 N ARG A 84 6.510 -20.068 -9.958 1.00 0.00 N ATOM 1293 CA ARG A 84 6.248 -19.293 -11.159 1.00 0.00 C ATOM 1294 C ARG A 84 7.462 -19.329 -12.089 1.00 0.00 C ATOM 1295 O ARG A 84 7.321 -19.207 -13.305 1.00 0.00 O ATOM 1296 CB ARG A 84 5.922 -17.838 -10.815 1.00 0.00 C ATOM 1297 CG ARG A 84 4.949 -17.239 -11.832 1.00 0.00 C ATOM 1298 CD ARG A 84 3.783 -16.539 -11.130 1.00 0.00 C ATOM 1299 NE ARG A 84 3.801 -15.092 -11.439 1.00 0.00 N ATOM 1300 CZ ARG A 84 2.993 -14.183 -10.854 1.00 0.00 C ATOM 1301 NH1 ARG A 84 2.094 -14.565 -9.922 1.00 0.00 N ATOM 1302 NH2 ARG A 84 3.095 -12.915 -11.206 1.00 0.00 N ATOM 0 H ARG A 84 6.713 -19.512 -9.127 1.00 0.00 H new ATOM 0 HA ARG A 84 5.388 -19.738 -11.660 1.00 0.00 H new ATOM 0 HB2 ARG A 84 5.488 -17.785 -9.816 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.840 -17.251 -10.795 1.00 0.00 H new ATOM 0 HG2 ARG A 84 5.475 -16.527 -12.468 1.00 0.00 H new ATOM 0 HG3 ARG A 84 4.567 -18.026 -12.482 1.00 0.00 H new ATOM 0 HD2 ARG A 84 2.838 -16.976 -11.453 1.00 0.00 H new ATOM 0 HD3 ARG A 84 3.853 -16.690 -10.053 1.00 0.00 H new ATOM 0 HE ARG A 84 4.466 -14.761 -12.138 1.00 0.00 H new ATOM 0 HH11 ARG A 84 2.022 -15.547 -9.655 1.00 0.00 H new ATOM 0 HH12 ARG A 84 1.487 -13.872 -9.485 1.00 0.00 H new ATOM 0 HH21 ARG A 84 3.777 -12.635 -11.911 1.00 0.00 H new ATOM 0 HH22 ARG A 84 2.492 -12.216 -10.773 1.00 0.00 H new ATOM 1315 N LYS A 85 8.628 -19.497 -11.482 1.00 0.00 N ATOM 1316 CA LYS A 85 9.866 -19.552 -12.241 1.00 0.00 C ATOM 1317 C LYS A 85 9.980 -20.915 -12.926 1.00 0.00 C ATOM 1318 O LYS A 85 10.749 -21.076 -13.872 1.00 0.00 O ATOM 1319 CB LYS A 85 11.059 -19.211 -11.345 1.00 0.00 C ATOM 1320 CG LYS A 85 11.533 -17.777 -11.585 1.00 0.00 C ATOM 1321 CD LYS A 85 11.479 -16.958 -10.294 1.00 0.00 C ATOM 1322 CE LYS A 85 10.278 -16.011 -10.294 1.00 0.00 C ATOM 1323 NZ LYS A 85 10.663 -14.686 -10.828 1.00 0.00 N ATOM 0 H LYS A 85 8.741 -19.597 -10.473 1.00 0.00 H new ATOM 0 HA LYS A 85 9.863 -18.799 -13.029 1.00 0.00 H new ATOM 0 HB2 LYS A 85 10.780 -19.335 -10.299 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.876 -19.905 -11.541 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.552 -17.787 -11.971 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.909 -17.306 -12.345 1.00 0.00 H new ATOM 0 HD2 LYS A 85 11.418 -17.628 -9.437 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.399 -16.384 -10.185 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.474 -16.433 -10.897 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.892 -15.903 -9.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.836 -14.055 -10.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.415 -14.278 -10.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.009 -14.792 -11.803 1.00 0.00 H new ATOM 1336 N LEU A 86 9.203 -21.862 -12.421 1.00 0.00 N ATOM 1337 CA LEU A 86 9.207 -23.206 -12.972 1.00 0.00 C ATOM 1338 C LEU A 86 8.215 -23.279 -14.135 1.00 0.00 C ATOM 1339 O LEU A 86 8.037 -22.306 -14.866 1.00 0.00 O ATOM 1340 CB LEU A 86 8.942 -24.237 -11.873 1.00 0.00 C ATOM 1341 CG LEU A 86 9.891 -24.197 -10.674 1.00 0.00 C ATOM 1342 CD1 LEU A 86 9.137 -24.462 -9.369 1.00 0.00 C ATOM 1343 CD2 LEU A 86 11.061 -25.164 -10.867 1.00 0.00 C ATOM 0 H LEU A 86 8.566 -21.725 -11.636 1.00 0.00 H new ATOM 0 HA LEU A 86 10.190 -23.449 -13.375 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.924 -24.098 -11.510 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.990 -25.232 -12.316 1.00 0.00 H new ATOM 0 HG LEU A 86 10.312 -23.194 -10.605 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.835 -24.428 -8.532 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.369 -23.701 -9.232 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.670 -25.446 -9.412 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.720 -25.115 -10.000 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.680 -26.179 -10.976 1.00 0.00 H new ATOM 0 HD23 LEU A 86 11.618 -24.887 -11.762 1.00 0.00 H new ATOM 1355 N ASN A 87 7.596 -24.442 -14.271 1.00 0.00 N ATOM 1356 CA ASN A 87 6.627 -24.655 -15.333 1.00 0.00 C ATOM 1357 C ASN A 87 5.423 -25.416 -14.774 1.00 0.00 C ATOM 1358 O ASN A 87 4.720 -26.102 -15.513 1.00 0.00 O ATOM 1359 CB ASN A 87 7.227 -25.488 -16.467 1.00 0.00 C ATOM 1360 CG ASN A 87 8.756 -25.470 -16.411 1.00 0.00 C ATOM 1361 OD1 ASN A 87 9.382 -26.170 -15.633 1.00 0.00 O ATOM 1362 ND2 ASN A 87 9.319 -24.633 -17.277 1.00 0.00 N ATOM 0 H ASN A 87 7.746 -25.247 -13.663 1.00 0.00 H new ATOM 0 HA ASN A 87 6.331 -23.680 -15.719 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.869 -26.515 -16.397 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.890 -25.098 -17.427 1.00 0.00 H new ATOM 0 HD21 ASN A 87 10.335 -24.548 -17.318 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.735 -24.076 -17.901 1.00 0.00 H new ATOM 1369 N GLY A 88 5.223 -25.268 -13.472 1.00 0.00 N ATOM 1370 CA GLY A 88 4.116 -25.933 -12.805 1.00 0.00 C ATOM 1371 C GLY A 88 2.947 -24.969 -12.590 1.00 0.00 C ATOM 1372 O GLY A 88 1.786 -25.360 -12.703 1.00 0.00 O ATOM 0 H GLY A 88 5.808 -24.698 -12.862 1.00 0.00 H new ATOM 0 HA2 GLY A 88 3.786 -26.784 -13.401 1.00 0.00 H new ATOM 0 HA3 GLY A 88 4.449 -26.327 -11.845 1.00 0.00 H new ATOM 1376 N PHE A 89 3.294 -23.728 -12.283 1.00 0.00 N ATOM 1377 CA PHE A 89 2.289 -22.705 -12.051 1.00 0.00 C ATOM 1378 C PHE A 89 2.364 -21.610 -13.116 1.00 0.00 C ATOM 1379 O PHE A 89 1.489 -20.748 -13.189 1.00 0.00 O ATOM 1380 CB PHE A 89 2.585 -22.090 -10.682 1.00 0.00 C ATOM 1381 CG PHE A 89 1.995 -22.872 -9.507 1.00 0.00 C ATOM 1382 CD1 PHE A 89 1.475 -24.113 -9.709 1.00 0.00 C ATOM 1383 CD2 PHE A 89 1.991 -22.328 -8.260 1.00 0.00 C ATOM 1384 CE1 PHE A 89 0.927 -24.839 -8.618 1.00 0.00 C ATOM 1385 CE2 PHE A 89 1.444 -23.054 -7.170 1.00 0.00 C ATOM 1386 CZ PHE A 89 0.924 -24.295 -7.372 1.00 0.00 C ATOM 0 H PHE A 89 4.258 -23.408 -12.189 1.00 0.00 H new ATOM 0 HA PHE A 89 1.293 -23.146 -12.092 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.665 -22.020 -10.553 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.195 -21.072 -10.660 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.479 -24.546 -10.698 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.404 -21.343 -8.099 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.513 -25.823 -8.778 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.441 -22.621 -6.180 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.509 -24.848 -6.542 1.00 0.00 H new ATOM 1396 N LEU A 90 3.418 -21.679 -13.916 1.00 0.00 N ATOM 1397 CA LEU A 90 3.619 -20.704 -14.975 1.00 0.00 C ATOM 1398 C LEU A 90 3.389 -21.374 -16.331 1.00 0.00 C ATOM 1399 O LEU A 90 3.521 -20.735 -17.373 1.00 0.00 O ATOM 1400 CB LEU A 90 4.992 -20.043 -14.841 1.00 0.00 C ATOM 1401 CG LEU A 90 5.401 -19.107 -15.981 1.00 0.00 C ATOM 1402 CD1 LEU A 90 5.830 -17.742 -15.442 1.00 0.00 C ATOM 1403 CD2 LEU A 90 6.483 -19.746 -16.853 1.00 0.00 C ATOM 0 H LEU A 90 4.142 -22.395 -13.852 1.00 0.00 H new ATOM 0 HA LEU A 90 2.892 -19.896 -14.891 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.012 -19.478 -13.909 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.744 -20.827 -14.754 1.00 0.00 H new ATOM 0 HG LEU A 90 4.531 -18.942 -16.617 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.116 -17.096 -16.272 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.001 -17.289 -14.898 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.680 -17.867 -14.771 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.756 -19.060 -17.655 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.362 -19.960 -16.244 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.104 -20.674 -17.282 1.00 0.00 H new ATOM 1415 N GLU A 91 3.049 -22.653 -16.272 1.00 0.00 N ATOM 1416 CA GLU A 91 2.799 -23.417 -17.483 1.00 0.00 C ATOM 1417 C GLU A 91 4.116 -23.929 -18.068 1.00 0.00 C ATOM 1418 O GLU A 91 5.182 -23.708 -17.496 1.00 0.00 O ATOM 1419 CB GLU A 91 2.030 -22.583 -18.509 1.00 0.00 C ATOM 1420 CG GLU A 91 0.959 -23.424 -19.208 1.00 0.00 C ATOM 1421 CD GLU A 91 0.853 -23.054 -20.689 1.00 0.00 C ATOM 1422 OE1 GLU A 91 1.291 -21.966 -21.089 1.00 0.00 O ATOM 1423 OE2 GLU A 91 0.290 -23.945 -21.433 1.00 0.00 O ATOM 0 H GLU A 91 2.941 -23.180 -15.405 1.00 0.00 H new ATOM 0 HA GLU A 91 2.180 -24.276 -17.226 1.00 0.00 H new ATOM 0 HB2 GLU A 91 1.563 -21.731 -18.014 1.00 0.00 H new ATOM 0 HB3 GLU A 91 2.722 -22.181 -19.249 1.00 0.00 H new ATOM 0 HG2 GLU A 91 1.201 -24.482 -19.110 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.004 -23.271 -18.721 1.00 0.00 H new ATOM 1431 N HIS A 92 4.000 -24.604 -19.203 1.00 0.00 N ATOM 1432 CA HIS A 92 5.169 -25.149 -19.873 1.00 0.00 C ATOM 1433 C HIS A 92 5.687 -26.360 -19.095 1.00 0.00 C ATOM 1434 O HIS A 92 5.090 -26.766 -18.099 1.00 0.00 O ATOM 1435 CB HIS A 92 6.235 -24.069 -20.068 1.00 0.00 C ATOM 1436 CG HIS A 92 6.477 -23.699 -21.512 1.00 0.00 C ATOM 1437 ND1 HIS A 92 6.994 -24.589 -22.438 1.00 0.00 N ATOM 1438 CD2 HIS A 92 6.266 -22.529 -22.180 1.00 0.00 C ATOM 1439 CE1 HIS A 92 7.087 -23.971 -23.606 1.00 0.00 C ATOM 1440 NE2 HIS A 92 6.636 -22.694 -23.444 1.00 0.00 N ATOM 0 H HIS A 92 3.114 -24.786 -19.675 1.00 0.00 H new ATOM 0 HA HIS A 92 4.895 -25.492 -20.871 1.00 0.00 H new ATOM 0 HB2 HIS A 92 5.937 -23.175 -19.520 1.00 0.00 H new ATOM 0 HB3 HIS A 92 7.172 -24.414 -19.630 1.00 0.00 H new ATOM 0 HD2 HIS A 92 5.866 -21.622 -21.753 1.00 0.00 H new ATOM 0 HE1 HIS A 92 7.455 -24.402 -24.525 1.00 0.00 H new ATOM 0 HE2 HIS A 92 6.591 -21.983 -24.174 1.00 0.00 H new ATOM 1448 N HIS A 93 6.793 -26.905 -19.580 1.00 0.00 N ATOM 1449 CA HIS A 93 7.399 -28.062 -18.944 1.00 0.00 C ATOM 1450 C HIS A 93 8.671 -28.456 -19.697 1.00 0.00 C ATOM 1451 O HIS A 93 8.994 -27.866 -20.728 1.00 0.00 O ATOM 1452 CB HIS A 93 6.394 -29.211 -18.837 1.00 0.00 C ATOM 1453 CG HIS A 93 5.896 -29.463 -17.434 1.00 0.00 C ATOM 1454 ND1 HIS A 93 4.716 -29.131 -16.834 1.00 0.00 N flip ATOM 1455 CD2 HIS A 93 6.647 -30.126 -16.479 1.00 0.00 C flip ATOM 1456 CE1 HIS A 93 4.744 -29.571 -15.582 1.00 0.00 C flip ATOM 1457 NE2 HIS A 93 5.941 -30.187 -15.360 1.00 0.00 N flip ATOM 0 H HIS A 93 7.285 -26.566 -20.407 1.00 0.00 H new ATOM 0 HA HIS A 93 7.687 -27.810 -17.923 1.00 0.00 H new ATOM 0 HB2 HIS A 93 5.541 -28.995 -19.481 1.00 0.00 H new ATOM 0 HB3 HIS A 93 6.857 -30.122 -19.216 1.00 0.00 H new ATOM 0 HD1 HIS A 93 3.944 -28.630 -17.273 1.00 0.00 H new ATOM 0 HD2 HIS A 93 7.640 -30.526 -16.622 1.00 0.00 H new ATOM 0 HE1 HIS A 93 3.950 -29.460 -14.858 1.00 0.00 H new ATOM 1465 N HIS A 94 9.359 -29.449 -19.155 1.00 0.00 N ATOM 1466 CA HIS A 94 10.589 -29.928 -19.763 1.00 0.00 C ATOM 1467 C HIS A 94 10.411 -31.382 -20.203 1.00 0.00 C ATOM 1468 O HIS A 94 10.566 -31.701 -21.381 1.00 0.00 O ATOM 1469 CB HIS A 94 11.774 -29.737 -18.814 1.00 0.00 C ATOM 1470 CG HIS A 94 13.122 -29.849 -19.486 1.00 0.00 C ATOM 1471 ND1 HIS A 94 13.555 -31.007 -20.109 1.00 0.00 N ATOM 1472 CD2 HIS A 94 14.127 -28.937 -19.626 1.00 0.00 C ATOM 1473 CE1 HIS A 94 14.767 -30.790 -20.597 1.00 0.00 C ATOM 1474 NE2 HIS A 94 15.120 -29.507 -20.297 1.00 0.00 N ATOM 0 H HIS A 94 9.088 -29.936 -18.301 1.00 0.00 H new ATOM 0 HA HIS A 94 10.812 -29.340 -20.653 1.00 0.00 H new ATOM 0 HB2 HIS A 94 11.695 -28.758 -18.342 1.00 0.00 H new ATOM 0 HB3 HIS A 94 11.713 -30.480 -18.019 1.00 0.00 H new ATOM 0 HD2 HIS A 94 14.116 -27.923 -19.254 1.00 0.00 H new ATOM 0 HE1 HIS A 94 15.370 -31.504 -21.138 1.00 0.00 H new ATOM 0 HE2 HIS A 94 16.002 -29.059 -20.547 1.00 0.00 H new ATOM 1482 N HIS A 95 10.087 -32.226 -19.234 1.00 0.00 N ATOM 1483 CA HIS A 95 9.886 -33.639 -19.507 1.00 0.00 C ATOM 1484 C HIS A 95 8.873 -34.214 -18.516 1.00 0.00 C ATOM 1485 O HIS A 95 9.184 -35.146 -17.776 1.00 0.00 O ATOM 1486 CB HIS A 95 11.220 -34.389 -19.495 1.00 0.00 C ATOM 1487 CG HIS A 95 11.781 -34.621 -18.113 1.00 0.00 C ATOM 1488 ND1 HIS A 95 11.941 -35.884 -17.570 1.00 0.00 N ATOM 1489 CD2 HIS A 95 12.220 -33.738 -17.170 1.00 0.00 C ATOM 1490 CE1 HIS A 95 12.452 -35.755 -16.355 1.00 0.00 C ATOM 1491 NE2 HIS A 95 12.624 -34.425 -16.108 1.00 0.00 N ATOM 0 H HIS A 95 9.959 -31.958 -18.258 1.00 0.00 H new ATOM 0 HA HIS A 95 9.474 -33.765 -20.508 1.00 0.00 H new ATOM 0 HB2 HIS A 95 11.088 -35.352 -19.989 1.00 0.00 H new ATOM 0 HB3 HIS A 95 11.947 -33.827 -20.081 1.00 0.00 H new ATOM 0 HD2 HIS A 95 12.236 -32.663 -17.270 1.00 0.00 H new ATOM 0 HE1 HIS A 95 12.691 -36.562 -15.678 1.00 0.00 H new ATOM 0 HE2 HIS A 95 13.001 -34.024 -15.249 1.00 0.00 H new ATOM 1499 N HIS A 96 7.682 -33.635 -18.534 1.00 0.00 N ATOM 1500 CA HIS A 96 6.621 -34.078 -17.646 1.00 0.00 C ATOM 1501 C HIS A 96 7.196 -34.349 -16.254 1.00 0.00 C ATOM 1502 O HIS A 96 7.556 -35.481 -15.937 1.00 0.00 O ATOM 1503 CB HIS A 96 5.892 -35.289 -18.232 1.00 0.00 C ATOM 1504 CG HIS A 96 4.446 -35.027 -18.579 1.00 0.00 C ATOM 1505 ND1 HIS A 96 3.986 -34.978 -19.884 1.00 0.00 N ATOM 1506 CD2 HIS A 96 3.364 -34.801 -17.780 1.00 0.00 C ATOM 1507 CE1 HIS A 96 2.684 -34.732 -19.859 1.00 0.00 C ATOM 1508 NE2 HIS A 96 2.301 -34.622 -18.554 1.00 0.00 N ATOM 0 H HIS A 96 7.428 -32.863 -19.150 1.00 0.00 H new ATOM 0 HA HIS A 96 5.874 -33.291 -17.546 1.00 0.00 H new ATOM 0 HB2 HIS A 96 6.417 -35.617 -19.129 1.00 0.00 H new ATOM 0 HB3 HIS A 96 5.940 -36.110 -17.517 1.00 0.00 H new ATOM 0 HD2 HIS A 96 3.371 -34.773 -16.700 1.00 0.00 H new ATOM 0 HE1 HIS A 96 2.039 -34.636 -20.720 1.00 0.00 H new ATOM 0 HE2 HIS A 96 1.353 -34.433 -18.227 1.00 0.00 H new ATOM 1516 N HIS A 97 7.264 -33.290 -15.461 1.00 0.00 N ATOM 1517 CA HIS A 97 7.789 -33.399 -14.110 1.00 0.00 C ATOM 1518 C HIS A 97 9.011 -34.319 -14.108 1.00 0.00 C ATOM 1519 O HIS A 97 9.843 -34.251 -13.204 1.00 0.00 O ATOM 1520 CB HIS A 97 6.700 -33.857 -13.139 1.00 0.00 C ATOM 1521 CG HIS A 97 5.865 -35.006 -13.651 1.00 0.00 C ATOM 1522 ND1 HIS A 97 6.349 -36.299 -13.749 1.00 0.00 N ATOM 1523 CD2 HIS A 97 4.574 -35.044 -14.090 1.00 0.00 C ATOM 1524 CE1 HIS A 97 5.384 -37.071 -14.228 1.00 0.00 C ATOM 1525 NE2 HIS A 97 4.286 -36.291 -14.439 1.00 0.00 N ATOM 0 H HIS A 97 6.964 -32.352 -15.728 1.00 0.00 H new ATOM 0 HA HIS A 97 8.115 -32.419 -13.762 1.00 0.00 H new ATOM 0 HB2 HIS A 97 7.166 -34.151 -12.199 1.00 0.00 H new ATOM 0 HB3 HIS A 97 6.045 -33.014 -12.920 1.00 0.00 H new ATOM 0 HD2 HIS A 97 3.900 -34.202 -14.144 1.00 0.00 H new ATOM 0 HE1 HIS A 97 5.455 -38.132 -14.418 1.00 0.00 H new ATOM 0 HE2 HIS A 97 3.390 -36.613 -14.805 1.00 0.00 H new TER 1533 HIS A 97