USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 634 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 16 ASN : amide:sc= -1.92 K(o=-3.3,f=-6!) USER MOD Set 1.2: A 63 MET CE :methyl 144:sc= -1.41 (180deg=-3.38!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -1.87 K(o=-1.9,f=-2.6) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN :FLIP amide:sc= -0.759 F(o=-2.3,f=-0.76) USER MOD Single : A 18 HIS : no HD1:sc= -1.48 X(o=-1.5,f=-1.5) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HE2:sc= -4.43 K(o=-4.4,f=-8!) USER MOD Single : A 27 ASN : amide:sc= -0.827 X(o=-0.83,f=-0.73!) USER MOD Single : A 28 GLN :FLIP amide:sc= -0.142 F(o=-0.68,f=-0.14) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 106:sc= 1.22 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN :FLIP amide:sc= -0.217 F(o=-0.84,f=-0.22) USER MOD Single : A 40 ASN : amide:sc= -1.53 X(o=-1.5,f=-1.3) USER MOD Single : A 42 SER OG : rot 176:sc= -1.08 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS :FLIP no HE2:sc= 0.0569 F(o=-0.47,f=0.057) USER MOD Single : A 49 MET CE :methyl 173:sc= 0 (180deg=-0.00449) USER MOD Single : A 50 LYS NZ :NH3+ -150:sc= -0.101 (180deg=-0.555) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.485 K(o=-0.49,f=-2.4) USER MOD Single : A 53 LYS NZ :NH3+ 143:sc= -0.471 (180deg=-1.86!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0.486 K(o=0.49,f=-2.2) USER MOD Single : A 62 SER OG : rot 70:sc= 1.15 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.143 -4.679 2.171 1.00 0.00 N ATOM 2 CA MET A 1 -14.203 -4.986 3.624 1.00 0.00 C ATOM 3 C MET A 1 -13.228 -4.116 4.411 1.00 0.00 C ATOM 4 O MET A 1 -12.131 -3.814 3.942 1.00 0.00 O ATOM 5 CB MET A 1 -13.873 -6.468 3.822 1.00 0.00 C ATOM 6 CG MET A 1 -14.897 -7.212 4.664 1.00 0.00 C ATOM 7 SD MET A 1 -16.407 -7.583 3.752 1.00 0.00 S ATOM 8 CE MET A 1 -17.482 -8.119 5.080 1.00 0.00 C ATOM 0 H1 MET A 1 -14.816 -5.285 1.660 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.390 -3.681 2.017 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.181 -4.856 1.818 1.00 0.00 H new ATOM 0 HA MET A 1 -15.205 -4.772 3.996 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.799 -6.949 2.847 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.895 -6.554 4.295 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.458 -8.142 5.026 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.144 -6.614 5.541 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.458 -8.384 4.674 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.046 -8.988 5.573 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.597 -7.312 5.803 1.00 0.00 H new ATOM 20 N PHE A 2 -13.637 -3.714 5.611 1.00 0.00 N ATOM 21 CA PHE A 2 -12.801 -2.877 6.463 1.00 0.00 C ATOM 22 C PHE A 2 -11.993 -3.728 7.438 1.00 0.00 C ATOM 23 O PHE A 2 -12.076 -4.956 7.420 1.00 0.00 O ATOM 24 CB PHE A 2 -13.662 -1.876 7.234 1.00 0.00 C ATOM 25 CG PHE A 2 -13.028 -0.522 7.378 1.00 0.00 C ATOM 26 CD1 PHE A 2 -12.424 0.093 6.292 1.00 0.00 C ATOM 27 CD2 PHE A 2 -13.036 0.136 8.597 1.00 0.00 C ATOM 28 CE1 PHE A 2 -11.839 1.338 6.421 1.00 0.00 C ATOM 29 CE2 PHE A 2 -12.452 1.381 8.731 1.00 0.00 C ATOM 30 CZ PHE A 2 -11.853 1.983 7.642 1.00 0.00 C ATOM 0 H PHE A 2 -14.542 -3.955 6.014 1.00 0.00 H new ATOM 0 HA PHE A 2 -12.107 -2.331 5.824 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -14.620 -1.767 6.726 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -13.871 -2.277 8.226 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -12.411 -0.407 5.335 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -13.504 -0.329 9.452 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -11.371 1.806 5.568 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -12.464 1.883 9.687 1.00 0.00 H new ATOM 0 HZ PHE A 2 -11.396 2.956 7.745 1.00 0.00 H new ATOM 40 N HIS A 3 -11.210 -3.067 8.287 1.00 0.00 N ATOM 41 CA HIS A 3 -10.381 -3.754 9.277 1.00 0.00 C ATOM 42 C HIS A 3 -9.141 -4.367 8.632 1.00 0.00 C ATOM 43 O HIS A 3 -8.018 -4.093 9.043 1.00 0.00 O ATOM 44 CB HIS A 3 -11.187 -4.837 10.004 1.00 0.00 C ATOM 45 CG HIS A 3 -11.192 -4.676 11.493 1.00 0.00 C ATOM 46 ND1 HIS A 3 -11.126 -3.448 12.118 1.00 0.00 N ATOM 47 CD2 HIS A 3 -11.259 -5.596 12.484 1.00 0.00 C ATOM 48 CE1 HIS A 3 -11.150 -3.620 13.428 1.00 0.00 C ATOM 49 NE2 HIS A 3 -11.230 -4.915 13.676 1.00 0.00 N ATOM 0 H HIS A 3 -11.131 -2.050 8.310 1.00 0.00 H new ATOM 0 HA HIS A 3 -10.055 -3.011 10.005 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -12.215 -4.820 9.641 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -10.776 -5.815 9.753 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -11.323 -6.667 12.360 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -11.111 -2.836 14.169 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -11.265 -5.340 14.603 1.00 0.00 H new ATOM 58 N GLU A 4 -9.355 -5.197 7.622 1.00 0.00 N ATOM 59 CA GLU A 4 -8.262 -5.858 6.911 1.00 0.00 C ATOM 60 C GLU A 4 -7.462 -4.874 6.055 1.00 0.00 C ATOM 61 O GLU A 4 -6.465 -5.239 5.438 1.00 0.00 O ATOM 62 CB GLU A 4 -8.806 -6.982 6.031 1.00 0.00 C ATOM 63 CG GLU A 4 -9.236 -8.212 6.814 1.00 0.00 C ATOM 64 CD GLU A 4 -10.709 -8.188 7.173 1.00 0.00 C ATOM 65 OE1 GLU A 4 -11.547 -8.320 6.256 1.00 0.00 O ATOM 66 OE2 GLU A 4 -11.026 -8.037 8.372 1.00 0.00 O ATOM 0 H GLU A 4 -10.283 -5.433 7.271 1.00 0.00 H new ATOM 0 HA GLU A 4 -7.590 -6.274 7.662 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -9.657 -6.608 5.462 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -8.042 -7.270 5.309 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.023 -9.105 6.226 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.644 -8.283 7.727 1.00 0.00 H new ATOM 73 N PHE A 5 -7.901 -3.629 6.005 1.00 0.00 N ATOM 74 CA PHE A 5 -7.218 -2.617 5.221 1.00 0.00 C ATOM 75 C PHE A 5 -6.177 -1.903 6.061 1.00 0.00 C ATOM 76 O PHE A 5 -5.160 -1.446 5.552 1.00 0.00 O ATOM 77 CB PHE A 5 -8.218 -1.613 4.656 1.00 0.00 C ATOM 78 CG PHE A 5 -8.764 -2.001 3.312 1.00 0.00 C ATOM 79 CD1 PHE A 5 -9.202 -3.294 3.074 1.00 0.00 C ATOM 80 CD2 PHE A 5 -8.838 -1.073 2.286 1.00 0.00 C ATOM 81 CE1 PHE A 5 -9.706 -3.654 1.839 1.00 0.00 C ATOM 82 CE2 PHE A 5 -9.339 -1.427 1.047 1.00 0.00 C ATOM 83 CZ PHE A 5 -9.774 -2.720 0.824 1.00 0.00 C ATOM 0 H PHE A 5 -8.728 -3.295 6.499 1.00 0.00 H new ATOM 0 HA PHE A 5 -6.714 -3.112 4.391 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -9.045 -1.503 5.357 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.736 -0.639 4.576 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -9.149 -4.029 3.863 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.500 -0.061 2.456 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -10.046 -4.665 1.668 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -9.390 -0.695 0.255 1.00 0.00 H new ATOM 0 HZ PHE A 5 -10.166 -2.999 -0.143 1.00 0.00 H new ATOM 93 N ARG A 6 -6.437 -1.821 7.355 1.00 0.00 N ATOM 94 CA ARG A 6 -5.516 -1.180 8.275 1.00 0.00 C ATOM 95 C ARG A 6 -4.948 -2.210 9.236 1.00 0.00 C ATOM 96 O ARG A 6 -3.843 -2.051 9.751 1.00 0.00 O ATOM 97 CB ARG A 6 -6.213 -0.056 9.044 1.00 0.00 C ATOM 98 CG ARG A 6 -5.314 0.646 10.050 1.00 0.00 C ATOM 99 CD ARG A 6 -5.345 -0.046 11.404 1.00 0.00 C ATOM 100 NE ARG A 6 -6.160 0.683 12.373 1.00 0.00 N ATOM 101 CZ ARG A 6 -5.742 1.761 13.031 1.00 0.00 C ATOM 102 NH1 ARG A 6 -4.522 2.241 12.826 1.00 0.00 N ATOM 103 NH2 ARG A 6 -6.545 2.361 13.898 1.00 0.00 N ATOM 0 H ARG A 6 -7.281 -2.192 7.792 1.00 0.00 H new ATOM 0 HA ARG A 6 -4.699 -0.741 7.703 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.591 0.679 8.333 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.077 -0.467 9.567 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -4.291 0.666 9.674 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.632 1.682 10.163 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.738 -1.056 11.286 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.328 -0.143 11.785 1.00 0.00 H new ATOM 0 HE ARG A 6 -7.105 0.346 12.556 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -3.899 1.783 12.161 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -4.207 3.068 13.334 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -7.484 1.996 14.061 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -6.224 3.188 14.402 1.00 0.00 H new ATOM 117 N ASP A 7 -5.703 -3.282 9.457 1.00 0.00 N ATOM 118 CA ASP A 7 -5.258 -4.347 10.333 1.00 0.00 C ATOM 119 C ASP A 7 -4.495 -5.386 9.537 1.00 0.00 C ATOM 120 O ASP A 7 -3.569 -6.010 10.051 1.00 0.00 O ATOM 121 CB ASP A 7 -6.435 -5.002 11.052 1.00 0.00 C ATOM 122 CG ASP A 7 -7.362 -3.990 11.695 1.00 0.00 C ATOM 123 OD1 ASP A 7 -6.934 -2.832 11.889 1.00 0.00 O ATOM 124 OD2 ASP A 7 -8.515 -4.354 12.004 1.00 0.00 O ATOM 0 H ASP A 7 -6.622 -3.431 9.040 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.601 -3.913 11.087 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -6.999 -5.606 10.341 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.057 -5.680 11.817 1.00 0.00 H new ATOM 129 N GLU A 8 -4.858 -5.555 8.266 1.00 0.00 N ATOM 130 CA GLU A 8 -4.150 -6.506 7.430 1.00 0.00 C ATOM 131 C GLU A 8 -2.980 -5.802 6.779 1.00 0.00 C ATOM 132 O GLU A 8 -1.899 -6.374 6.640 1.00 0.00 O ATOM 133 CB GLU A 8 -5.060 -7.139 6.378 1.00 0.00 C ATOM 134 CG GLU A 8 -4.855 -8.637 6.224 1.00 0.00 C ATOM 135 CD GLU A 8 -3.644 -8.975 5.378 1.00 0.00 C ATOM 136 OE1 GLU A 8 -2.524 -9.003 5.930 1.00 0.00 O ATOM 137 OE2 GLU A 8 -3.815 -9.212 4.164 1.00 0.00 O ATOM 0 H GLU A 8 -5.620 -5.056 7.807 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.792 -7.323 8.057 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.099 -6.948 6.645 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.884 -6.655 5.417 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.742 -9.088 7.210 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.744 -9.077 5.772 1.00 0.00 H new ATOM 144 N ILE A 9 -3.184 -4.535 6.413 1.00 0.00 N ATOM 145 CA ILE A 9 -2.106 -3.760 5.816 1.00 0.00 C ATOM 146 C ILE A 9 -1.041 -3.466 6.852 1.00 0.00 C ATOM 147 O ILE A 9 0.142 -3.377 6.528 1.00 0.00 O ATOM 148 CB ILE A 9 -2.598 -2.429 5.210 1.00 0.00 C ATOM 149 CG1 ILE A 9 -3.359 -2.686 3.907 1.00 0.00 C ATOM 150 CG2 ILE A 9 -1.423 -1.485 4.970 1.00 0.00 C ATOM 151 CD1 ILE A 9 -3.827 -1.424 3.213 1.00 0.00 C ATOM 0 H ILE A 9 -4.068 -4.036 6.518 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.695 -4.365 5.007 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.278 -1.955 5.918 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.718 -3.247 3.227 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.224 -3.314 4.120 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.788 -0.551 4.542 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.922 -1.280 5.916 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.718 -1.949 4.280 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.358 -1.687 2.298 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.495 -0.872 3.874 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.965 -0.803 2.967 1.00 0.00 H new ATOM 163 N SER A 10 -1.461 -3.309 8.099 1.00 0.00 N ATOM 164 CA SER A 10 -0.519 -3.014 9.158 1.00 0.00 C ATOM 165 C SER A 10 0.255 -4.261 9.568 1.00 0.00 C ATOM 166 O SER A 10 1.391 -4.172 10.026 1.00 0.00 O ATOM 167 CB SER A 10 -1.232 -2.413 10.370 1.00 0.00 C ATOM 168 OG SER A 10 -0.330 -2.203 11.442 1.00 0.00 O ATOM 0 H SER A 10 -2.434 -3.380 8.395 1.00 0.00 H new ATOM 0 HA SER A 10 0.190 -2.281 8.773 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.696 -1.467 10.090 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.034 -3.078 10.691 1.00 0.00 H new ATOM 0 HG SER A 10 -0.811 -1.817 12.203 1.00 0.00 H new ATOM 174 N VAL A 11 -0.362 -5.425 9.407 1.00 0.00 N ATOM 175 CA VAL A 11 0.290 -6.676 9.770 1.00 0.00 C ATOM 176 C VAL A 11 1.219 -7.165 8.664 1.00 0.00 C ATOM 177 O VAL A 11 2.208 -7.843 8.934 1.00 0.00 O ATOM 178 CB VAL A 11 -0.744 -7.776 10.089 1.00 0.00 C ATOM 179 CG1 VAL A 11 -0.056 -9.107 10.361 1.00 0.00 C ATOM 180 CG2 VAL A 11 -1.605 -7.368 11.273 1.00 0.00 C ATOM 0 H VAL A 11 -1.304 -5.529 9.031 1.00 0.00 H new ATOM 0 HA VAL A 11 0.881 -6.473 10.663 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.388 -7.900 9.218 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.806 -9.866 10.583 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.515 -9.408 9.483 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.617 -9.002 11.212 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.329 -8.155 11.485 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.972 -7.213 12.147 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.132 -6.443 11.038 1.00 0.00 H new ATOM 190 N LEU A 12 0.901 -6.829 7.421 1.00 0.00 N ATOM 191 CA LEU A 12 1.720 -7.251 6.291 1.00 0.00 C ATOM 192 C LEU A 12 2.802 -6.225 5.981 1.00 0.00 C ATOM 193 O LEU A 12 3.969 -6.572 5.804 1.00 0.00 O ATOM 194 CB LEU A 12 0.851 -7.480 5.054 1.00 0.00 C ATOM 195 CG LEU A 12 0.036 -6.271 4.595 1.00 0.00 C ATOM 196 CD1 LEU A 12 0.848 -5.405 3.643 1.00 0.00 C ATOM 197 CD2 LEU A 12 -1.252 -6.726 3.931 1.00 0.00 C ATOM 0 H LEU A 12 0.087 -6.269 7.170 1.00 0.00 H new ATOM 0 HA LEU A 12 2.204 -8.189 6.565 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.494 -7.797 4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.166 -8.303 5.259 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.215 -5.672 5.471 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.249 -4.550 3.328 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.747 -5.052 4.149 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.130 -5.992 2.769 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.823 -5.855 3.609 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.016 -7.345 3.066 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.843 -7.305 4.641 1.00 0.00 H new ATOM 209 N LYS A 13 2.404 -4.964 5.911 1.00 0.00 N ATOM 210 CA LYS A 13 3.334 -3.882 5.613 1.00 0.00 C ATOM 211 C LYS A 13 4.339 -3.696 6.741 1.00 0.00 C ATOM 212 O LYS A 13 5.506 -3.392 6.504 1.00 0.00 O ATOM 213 CB LYS A 13 2.570 -2.576 5.372 1.00 0.00 C ATOM 214 CG LYS A 13 2.312 -1.763 6.637 1.00 0.00 C ATOM 215 CD LYS A 13 1.132 -0.819 6.472 1.00 0.00 C ATOM 216 CE LYS A 13 1.457 0.577 6.975 1.00 0.00 C ATOM 217 NZ LYS A 13 0.303 1.505 6.824 1.00 0.00 N ATOM 0 H LYS A 13 1.441 -4.663 6.057 1.00 0.00 H new ATOM 0 HA LYS A 13 3.881 -4.149 4.709 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.132 -1.963 4.668 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.615 -2.808 4.901 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.123 -2.439 7.471 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.204 -1.189 6.888 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.849 -0.771 5.421 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.273 -1.211 7.016 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.747 0.526 8.025 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.313 0.970 6.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.566 2.447 7.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.042 1.574 5.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.506 1.144 7.368 1.00 0.00 H new ATOM 231 N ALA A 14 3.870 -3.863 7.967 1.00 0.00 N ATOM 232 CA ALA A 14 4.718 -3.695 9.137 1.00 0.00 C ATOM 233 C ALA A 14 5.506 -4.963 9.462 1.00 0.00 C ATOM 234 O ALA A 14 6.325 -4.969 10.379 1.00 0.00 O ATOM 235 CB ALA A 14 3.878 -3.264 10.327 1.00 0.00 C ATOM 0 H ALA A 14 2.905 -4.115 8.178 1.00 0.00 H new ATOM 0 HA ALA A 14 5.447 -2.917 8.911 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.520 -3.140 11.199 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.386 -2.318 10.101 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.125 -4.024 10.535 1.00 0.00 H new ATOM 241 N ASN A 15 5.254 -6.040 8.716 1.00 0.00 N ATOM 242 CA ASN A 15 5.954 -7.300 8.961 1.00 0.00 C ATOM 243 C ASN A 15 6.524 -7.904 7.685 1.00 0.00 C ATOM 244 O ASN A 15 7.077 -9.004 7.713 1.00 0.00 O ATOM 245 CB ASN A 15 5.024 -8.307 9.639 1.00 0.00 C ATOM 246 CG ASN A 15 4.456 -7.783 10.944 1.00 0.00 C ATOM 247 OD1 ASN A 15 3.565 -6.802 10.854 1.00 0.00 O flip ATOM 248 ND2 ASN A 15 4.815 -8.253 12.024 1.00 0.00 N flip ATOM 0 H ASN A 15 4.582 -6.066 7.949 1.00 0.00 H new ATOM 0 HA ASN A 15 6.791 -7.073 9.621 1.00 0.00 H new ATOM 0 HB2 ASN A 15 4.205 -8.554 8.963 1.00 0.00 H new ATOM 0 HB3 ASN A 15 5.570 -9.231 9.829 1.00 0.00 H new ATOM 0 HD21 ASN A 15 5.502 -9.006 12.049 1.00 0.00 H new ATOM 0 HD22 ASN A 15 4.425 -7.889 12.893 1.00 0.00 H new ATOM 255 N ASN A 16 6.408 -7.195 6.569 1.00 0.00 N ATOM 256 CA ASN A 16 6.941 -7.701 5.313 1.00 0.00 C ATOM 257 C ASN A 16 8.381 -7.232 5.118 1.00 0.00 C ATOM 258 O ASN A 16 8.687 -6.065 5.337 1.00 0.00 O ATOM 259 CB ASN A 16 6.074 -7.249 4.136 1.00 0.00 C ATOM 260 CG ASN A 16 4.942 -8.217 3.846 1.00 0.00 C ATOM 261 OD1 ASN A 16 4.691 -9.144 4.616 1.00 0.00 O ATOM 262 ND2 ASN A 16 4.254 -8.007 2.731 1.00 0.00 N ATOM 0 H ASN A 16 5.957 -6.282 6.508 1.00 0.00 H new ATOM 0 HA ASN A 16 6.929 -8.790 5.352 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.660 -6.264 4.351 1.00 0.00 H new ATOM 0 HB3 ASN A 16 6.697 -7.146 3.248 1.00 0.00 H new ATOM 0 HD21 ASN A 16 3.483 -8.627 2.483 1.00 0.00 H new ATOM 0 HD22 ASN A 16 4.497 -7.226 2.122 1.00 0.00 H new ATOM 269 N PRO A 17 9.292 -8.132 4.706 1.00 0.00 N ATOM 270 CA PRO A 17 10.700 -7.781 4.492 1.00 0.00 C ATOM 271 C PRO A 17 10.860 -6.584 3.575 1.00 0.00 C ATOM 272 O PRO A 17 11.807 -5.810 3.700 1.00 0.00 O ATOM 273 CB PRO A 17 11.311 -9.042 3.865 1.00 0.00 C ATOM 274 CG PRO A 17 10.150 -9.897 3.472 1.00 0.00 C ATOM 275 CD PRO A 17 9.036 -9.547 4.416 1.00 0.00 C ATOM 0 HA PRO A 17 11.189 -7.490 5.422 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.925 -8.792 2.999 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.957 -9.559 4.575 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.859 -9.708 2.439 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.403 -10.955 3.543 1.00 0.00 H new ATOM 0 HD2 PRO A 17 8.057 -9.696 3.960 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.064 -10.157 5.319 1.00 0.00 H new ATOM 283 N HIS A 18 9.916 -6.431 2.668 1.00 0.00 N ATOM 284 CA HIS A 18 9.931 -5.317 1.741 1.00 0.00 C ATOM 285 C HIS A 18 9.610 -4.017 2.472 1.00 0.00 C ATOM 286 O HIS A 18 9.882 -2.928 1.969 1.00 0.00 O ATOM 287 CB HIS A 18 8.918 -5.576 0.635 1.00 0.00 C ATOM 288 CG HIS A 18 9.491 -5.468 -0.743 1.00 0.00 C ATOM 289 ND1 HIS A 18 10.616 -4.725 -1.035 1.00 0.00 N ATOM 290 CD2 HIS A 18 9.091 -6.016 -1.916 1.00 0.00 C ATOM 291 CE1 HIS A 18 10.882 -4.820 -2.326 1.00 0.00 C ATOM 292 NE2 HIS A 18 9.972 -5.598 -2.882 1.00 0.00 N ATOM 0 H HIS A 18 9.126 -7.066 2.553 1.00 0.00 H new ATOM 0 HA HIS A 18 10.924 -5.220 1.302 1.00 0.00 H new ATOM 0 HB2 HIS A 18 8.497 -6.573 0.767 1.00 0.00 H new ATOM 0 HB3 HIS A 18 8.096 -4.867 0.734 1.00 0.00 H new ATOM 0 HD2 HIS A 18 8.238 -6.662 -2.063 1.00 0.00 H new ATOM 0 HE1 HIS A 18 11.704 -4.342 -2.839 1.00 0.00 H new ATOM 0 HE2 HIS A 18 9.930 -5.848 -3.870 1.00 0.00 H new ATOM 301 N PHE A 19 9.036 -4.139 3.672 1.00 0.00 N ATOM 302 CA PHE A 19 8.687 -2.973 4.473 1.00 0.00 C ATOM 303 C PHE A 19 9.880 -2.034 4.598 1.00 0.00 C ATOM 304 O PHE A 19 9.727 -0.818 4.628 1.00 0.00 O ATOM 305 CB PHE A 19 8.181 -3.400 5.861 1.00 0.00 C ATOM 306 CG PHE A 19 9.254 -3.557 6.910 1.00 0.00 C ATOM 307 CD1 PHE A 19 10.339 -4.395 6.707 1.00 0.00 C ATOM 308 CD2 PHE A 19 9.168 -2.862 8.106 1.00 0.00 C ATOM 309 CE1 PHE A 19 11.317 -4.535 7.675 1.00 0.00 C ATOM 310 CE2 PHE A 19 10.141 -2.998 9.077 1.00 0.00 C ATOM 311 CZ PHE A 19 11.218 -3.835 8.861 1.00 0.00 C ATOM 0 H PHE A 19 8.805 -5.033 4.105 1.00 0.00 H new ATOM 0 HA PHE A 19 7.883 -2.438 3.969 1.00 0.00 H new ATOM 0 HB2 PHE A 19 7.458 -2.663 6.210 1.00 0.00 H new ATOM 0 HB3 PHE A 19 7.649 -4.346 5.762 1.00 0.00 H new ATOM 0 HD1 PHE A 19 10.422 -4.946 5.782 1.00 0.00 H new ATOM 0 HD2 PHE A 19 8.329 -2.205 8.281 1.00 0.00 H new ATOM 0 HE1 PHE A 19 12.157 -5.191 7.503 1.00 0.00 H new ATOM 0 HE2 PHE A 19 10.060 -2.450 10.004 1.00 0.00 H new ATOM 0 HZ PHE A 19 11.981 -3.942 9.618 1.00 0.00 H new ATOM 321 N ASP A 20 11.074 -2.601 4.648 1.00 0.00 N ATOM 322 CA ASP A 20 12.282 -1.795 4.751 1.00 0.00 C ATOM 323 C ASP A 20 12.208 -0.601 3.810 1.00 0.00 C ATOM 324 O ASP A 20 12.409 0.541 4.215 1.00 0.00 O ATOM 325 CB ASP A 20 13.507 -2.635 4.417 1.00 0.00 C ATOM 326 CG ASP A 20 14.042 -3.386 5.621 1.00 0.00 C ATOM 327 OD1 ASP A 20 14.599 -2.733 6.529 1.00 0.00 O ATOM 328 OD2 ASP A 20 13.907 -4.627 5.654 1.00 0.00 O ATOM 0 H ASP A 20 11.234 -3.608 4.619 1.00 0.00 H new ATOM 0 HA ASP A 20 12.365 -1.433 5.776 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.252 -3.347 3.632 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.289 -1.989 4.019 1.00 0.00 H new ATOM 333 N LYS A 21 11.911 -0.885 2.552 1.00 0.00 N ATOM 334 CA LYS A 21 11.796 0.150 1.536 1.00 0.00 C ATOM 335 C LYS A 21 10.363 0.659 1.415 1.00 0.00 C ATOM 336 O LYS A 21 10.103 1.856 1.536 1.00 0.00 O ATOM 337 CB LYS A 21 12.276 -0.389 0.186 1.00 0.00 C ATOM 338 CG LYS A 21 13.761 -0.174 -0.061 1.00 0.00 C ATOM 339 CD LYS A 21 14.079 1.292 -0.318 1.00 0.00 C ATOM 340 CE LYS A 21 14.753 1.935 0.883 1.00 0.00 C ATOM 341 NZ LYS A 21 16.233 1.991 0.724 1.00 0.00 N ATOM 0 H LYS A 21 11.744 -1.831 2.208 1.00 0.00 H new ATOM 0 HA LYS A 21 12.424 0.988 1.838 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.058 -1.455 0.131 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.710 0.094 -0.611 1.00 0.00 H new ATOM 0 HG2 LYS A 21 14.328 -0.524 0.801 1.00 0.00 H new ATOM 0 HG3 LYS A 21 14.079 -0.771 -0.916 1.00 0.00 H new ATOM 0 HD2 LYS A 21 14.728 1.377 -1.190 1.00 0.00 H new ATOM 0 HD3 LYS A 21 13.160 1.829 -0.551 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.364 2.944 1.021 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.505 1.372 1.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 16.656 2.436 1.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 16.607 1.027 0.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 16.471 2.549 -0.121 1.00 0.00 H new ATOM 355 N ILE A 22 9.445 -0.260 1.155 1.00 0.00 N ATOM 356 CA ILE A 22 8.033 0.079 0.987 1.00 0.00 C ATOM 357 C ILE A 22 7.439 0.714 2.240 1.00 0.00 C ATOM 358 O ILE A 22 6.538 1.549 2.151 1.00 0.00 O ATOM 359 CB ILE A 22 7.182 -1.159 0.630 1.00 0.00 C ATOM 360 CG1 ILE A 22 7.918 -2.070 -0.356 1.00 0.00 C ATOM 361 CG2 ILE A 22 5.840 -0.725 0.054 1.00 0.00 C ATOM 362 CD1 ILE A 22 7.079 -3.234 -0.839 1.00 0.00 C ATOM 0 H ILE A 22 9.651 -1.254 1.055 1.00 0.00 H new ATOM 0 HA ILE A 22 8.004 0.797 0.167 1.00 0.00 H new ATOM 0 HB ILE A 22 7.008 -1.727 1.544 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.237 -1.480 -1.215 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.820 -2.454 0.120 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.248 -1.606 -0.194 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.305 -0.124 0.790 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.005 -0.133 -0.847 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.661 -3.838 -1.534 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.781 -3.846 0.012 1.00 0.00 H new ATOM 0 HD13 ILE A 22 6.189 -2.857 -1.343 1.00 0.00 H new ATOM 374 N PHE A 23 7.927 0.305 3.403 1.00 0.00 N ATOM 375 CA PHE A 23 7.414 0.833 4.663 1.00 0.00 C ATOM 376 C PHE A 23 8.183 2.071 5.104 1.00 0.00 C ATOM 377 O PHE A 23 7.608 2.977 5.704 1.00 0.00 O ATOM 378 CB PHE A 23 7.460 -0.242 5.751 1.00 0.00 C ATOM 379 CG PHE A 23 6.703 0.110 6.996 1.00 0.00 C ATOM 380 CD1 PHE A 23 5.369 0.475 6.940 1.00 0.00 C ATOM 381 CD2 PHE A 23 7.332 0.068 8.229 1.00 0.00 C ATOM 382 CE1 PHE A 23 4.676 0.793 8.091 1.00 0.00 C ATOM 383 CE2 PHE A 23 6.645 0.385 9.384 1.00 0.00 C ATOM 384 CZ PHE A 23 5.314 0.748 9.315 1.00 0.00 C ATOM 0 H PHE A 23 8.672 -0.385 3.502 1.00 0.00 H new ATOM 0 HA PHE A 23 6.377 1.127 4.502 1.00 0.00 H new ATOM 0 HB2 PHE A 23 7.058 -1.171 5.346 1.00 0.00 H new ATOM 0 HB3 PHE A 23 8.501 -0.433 6.014 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.865 0.511 5.986 1.00 0.00 H new ATOM 0 HD2 PHE A 23 8.372 -0.216 8.288 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.636 1.077 8.034 1.00 0.00 H new ATOM 0 HE2 PHE A 23 7.147 0.349 10.339 1.00 0.00 H new ATOM 0 HZ PHE A 23 4.773 0.996 10.216 1.00 0.00 H new ATOM 394 N GLU A 24 9.477 2.122 4.803 1.00 0.00 N ATOM 395 CA GLU A 24 10.279 3.281 5.181 1.00 0.00 C ATOM 396 C GLU A 24 9.942 4.464 4.288 1.00 0.00 C ATOM 397 O GLU A 24 9.845 5.600 4.752 1.00 0.00 O ATOM 398 CB GLU A 24 11.770 2.966 5.098 1.00 0.00 C ATOM 399 CG GLU A 24 12.659 4.112 5.552 1.00 0.00 C ATOM 400 CD GLU A 24 13.220 4.910 4.390 1.00 0.00 C ATOM 401 OE1 GLU A 24 12.491 5.100 3.394 1.00 0.00 O ATOM 402 OE2 GLU A 24 14.388 5.344 4.477 1.00 0.00 O ATOM 0 H GLU A 24 9.985 1.389 4.308 1.00 0.00 H new ATOM 0 HA GLU A 24 10.043 3.536 6.214 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.982 2.088 5.709 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.022 2.707 4.070 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.087 4.775 6.201 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.482 3.715 6.147 1.00 0.00 H new ATOM 409 N LYS A 25 9.748 4.187 3.007 1.00 0.00 N ATOM 410 CA LYS A 25 9.404 5.225 2.047 1.00 0.00 C ATOM 411 C LYS A 25 7.960 5.662 2.251 1.00 0.00 C ATOM 412 O LYS A 25 7.628 6.839 2.111 1.00 0.00 O ATOM 413 CB LYS A 25 9.607 4.717 0.618 1.00 0.00 C ATOM 414 CG LYS A 25 10.241 5.738 -0.309 1.00 0.00 C ATOM 415 CD LYS A 25 11.714 5.940 0.009 1.00 0.00 C ATOM 416 CE LYS A 25 12.538 4.712 -0.348 1.00 0.00 C ATOM 417 NZ LYS A 25 13.579 5.018 -1.367 1.00 0.00 N ATOM 0 H LYS A 25 9.823 3.251 2.608 1.00 0.00 H new ATOM 0 HA LYS A 25 10.059 6.082 2.205 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.233 3.825 0.645 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.643 4.417 0.208 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.133 5.409 -1.343 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.715 6.688 -0.220 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.090 6.803 -0.540 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.831 6.161 1.070 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.014 4.321 0.551 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.879 3.930 -0.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.118 4.155 -1.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.124 5.367 -2.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.224 5.746 -0.997 1.00 0.00 H new ATOM 431 N HIS A 26 7.109 4.702 2.599 1.00 0.00 N ATOM 432 CA HIS A 26 5.703 4.980 2.840 1.00 0.00 C ATOM 433 C HIS A 26 5.521 5.656 4.193 1.00 0.00 C ATOM 434 O HIS A 26 4.775 6.628 4.319 1.00 0.00 O ATOM 435 CB HIS A 26 4.885 3.687 2.784 1.00 0.00 C ATOM 436 CG HIS A 26 3.431 3.881 3.092 1.00 0.00 C ATOM 437 ND1 HIS A 26 2.424 3.566 2.204 1.00 0.00 N ATOM 438 CD2 HIS A 26 2.817 4.363 4.198 1.00 0.00 C ATOM 439 CE1 HIS A 26 1.254 3.846 2.750 1.00 0.00 C ATOM 440 NE2 HIS A 26 1.466 4.331 3.961 1.00 0.00 N ATOM 0 H HIS A 26 7.372 3.724 2.720 1.00 0.00 H new ATOM 0 HA HIS A 26 5.346 5.653 2.060 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.982 3.249 1.791 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.305 2.971 3.490 1.00 0.00 H new ATOM 0 HD1 HIS A 26 2.561 3.177 1.271 1.00 0.00 H new ATOM 0 HD2 HIS A 26 3.301 4.709 5.100 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.289 3.703 2.286 1.00 0.00 H new ATOM 449 N ASN A 27 6.210 5.137 5.201 1.00 0.00 N ATOM 450 CA ASN A 27 6.127 5.694 6.547 1.00 0.00 C ATOM 451 C ASN A 27 6.857 7.033 6.637 1.00 0.00 C ATOM 452 O ASN A 27 6.554 7.854 7.503 1.00 0.00 O ATOM 453 CB ASN A 27 6.703 4.714 7.570 1.00 0.00 C ATOM 454 CG ASN A 27 6.342 5.085 8.994 1.00 0.00 C ATOM 455 OD1 ASN A 27 5.860 6.186 9.259 1.00 0.00 O ATOM 456 ND2 ASN A 27 6.576 4.164 9.923 1.00 0.00 N ATOM 0 H ASN A 27 6.832 4.333 5.114 1.00 0.00 H new ATOM 0 HA ASN A 27 5.074 5.863 6.772 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.335 3.711 7.355 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.788 4.684 7.469 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.355 4.357 10.900 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.977 3.264 9.659 1.00 0.00 H new ATOM 463 N GLN A 28 7.808 7.254 5.734 1.00 0.00 N ATOM 464 CA GLN A 28 8.561 8.502 5.716 1.00 0.00 C ATOM 465 C GLN A 28 7.730 9.598 5.065 1.00 0.00 C ATOM 466 O GLN A 28 7.814 10.768 5.441 1.00 0.00 O ATOM 467 CB GLN A 28 9.881 8.324 4.963 1.00 0.00 C ATOM 468 CG GLN A 28 10.695 9.603 4.846 1.00 0.00 C ATOM 469 CD GLN A 28 11.278 10.046 6.172 1.00 0.00 C ATOM 470 OE1 GLN A 28 10.429 10.574 7.046 1.00 0.00 O flip ATOM 471 NE2 GLN A 28 12.478 9.917 6.409 1.00 0.00 N flip ATOM 0 H GLN A 28 8.074 6.588 5.009 1.00 0.00 H new ATOM 0 HA GLN A 28 8.787 8.788 6.743 1.00 0.00 H new ATOM 0 HB2 GLN A 28 10.480 7.568 5.471 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.670 7.945 3.963 1.00 0.00 H new ATOM 0 HG2 GLN A 28 11.503 9.451 4.131 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.063 10.397 4.448 1.00 0.00 H new ATOM 0 HE21 GLN A 28 13.095 9.506 5.708 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.856 10.221 7.306 1.00 0.00 H new ATOM 480 N LEU A 29 6.914 9.205 4.093 1.00 0.00 N ATOM 481 CA LEU A 29 6.050 10.142 3.395 1.00 0.00 C ATOM 482 C LEU A 29 4.907 10.561 4.304 1.00 0.00 C ATOM 483 O LEU A 29 4.662 11.750 4.506 1.00 0.00 O ATOM 484 CB LEU A 29 5.506 9.515 2.111 1.00 0.00 C ATOM 485 CG LEU A 29 6.177 9.997 0.824 1.00 0.00 C ATOM 486 CD1 LEU A 29 7.664 9.680 0.845 1.00 0.00 C ATOM 487 CD2 LEU A 29 5.510 9.366 -0.387 1.00 0.00 C ATOM 0 H LEU A 29 6.835 8.240 3.772 1.00 0.00 H new ATOM 0 HA LEU A 29 6.631 11.024 3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.616 8.433 2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.438 9.723 2.047 1.00 0.00 H new ATOM 0 HG LEU A 29 6.061 11.079 0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.124 10.031 -0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.130 10.179 1.694 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.805 8.603 0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.998 9.718 -1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.596 8.281 -0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.457 9.645 -0.409 1.00 0.00 H new ATOM 499 N ASP A 30 4.223 9.572 4.867 1.00 0.00 N ATOM 500 CA ASP A 30 3.118 9.836 5.776 1.00 0.00 C ATOM 501 C ASP A 30 3.614 10.609 6.995 1.00 0.00 C ATOM 502 O ASP A 30 2.835 11.255 7.694 1.00 0.00 O ATOM 503 CB ASP A 30 2.452 8.529 6.208 1.00 0.00 C ATOM 504 CG ASP A 30 1.233 8.759 7.079 1.00 0.00 C ATOM 505 OD1 ASP A 30 1.396 9.276 8.204 1.00 0.00 O ATOM 506 OD2 ASP A 30 0.114 8.424 6.635 1.00 0.00 O ATOM 0 H ASP A 30 4.415 8.583 4.710 1.00 0.00 H new ATOM 0 HA ASP A 30 2.377 10.441 5.254 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.161 7.964 5.323 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.174 7.920 6.752 1.00 0.00 H new ATOM 511 N ASP A 31 4.922 10.558 7.233 1.00 0.00 N ATOM 512 CA ASP A 31 5.508 11.285 8.347 1.00 0.00 C ATOM 513 C ASP A 31 5.784 12.722 7.924 1.00 0.00 C ATOM 514 O ASP A 31 5.751 13.641 8.742 1.00 0.00 O ATOM 515 CB ASP A 31 6.796 10.607 8.820 1.00 0.00 C ATOM 516 CG ASP A 31 6.591 9.799 10.086 1.00 0.00 C ATOM 517 OD1 ASP A 31 5.618 9.017 10.141 1.00 0.00 O ATOM 518 OD2 ASP A 31 7.404 9.947 11.024 1.00 0.00 O ATOM 0 H ASP A 31 5.588 10.025 6.673 1.00 0.00 H new ATOM 0 HA ASP A 31 4.805 11.285 9.180 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.170 9.954 8.032 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.559 11.365 8.995 1.00 0.00 H new ATOM 523 N ASP A 32 6.032 12.907 6.629 1.00 0.00 N ATOM 524 CA ASP A 32 6.284 14.230 6.079 1.00 0.00 C ATOM 525 C ASP A 32 4.960 14.932 5.798 1.00 0.00 C ATOM 526 O ASP A 32 4.848 16.151 5.933 1.00 0.00 O ATOM 527 CB ASP A 32 7.114 14.128 4.798 1.00 0.00 C ATOM 528 CG ASP A 32 8.258 15.124 4.770 1.00 0.00 C ATOM 529 OD1 ASP A 32 8.878 15.346 5.831 1.00 0.00 O ATOM 530 OD2 ASP A 32 8.533 15.681 3.686 1.00 0.00 O ATOM 0 H ASP A 32 6.063 12.153 5.943 1.00 0.00 H new ATOM 0 HA ASP A 32 6.848 14.813 6.807 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.513 13.118 4.706 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.469 14.296 3.936 1.00 0.00 H new ATOM 535 N ILE A 33 3.954 14.145 5.420 1.00 0.00 N ATOM 536 CA ILE A 33 2.634 14.674 5.137 1.00 0.00 C ATOM 537 C ILE A 33 2.019 15.247 6.407 1.00 0.00 C ATOM 538 O ILE A 33 1.349 16.279 6.376 1.00 0.00 O ATOM 539 CB ILE A 33 1.706 13.586 4.543 1.00 0.00 C ATOM 540 CG1 ILE A 33 1.183 12.646 5.633 1.00 0.00 C ATOM 541 CG2 ILE A 33 2.430 12.798 3.459 1.00 0.00 C ATOM 542 CD1 ILE A 33 0.219 11.599 5.118 1.00 0.00 C ATOM 0 H ILE A 33 4.035 13.135 5.304 1.00 0.00 H new ATOM 0 HA ILE A 33 2.740 15.467 4.397 1.00 0.00 H new ATOM 0 HB ILE A 33 0.848 14.087 4.094 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.028 12.148 6.108 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.687 13.237 6.404 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.762 12.038 3.054 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.737 13.474 2.661 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.310 12.317 3.885 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.110 10.969 5.945 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.645 12.089 4.669 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.717 10.983 4.369 1.00 0.00 H new ATOM 554 N LYS A 34 2.272 14.577 7.531 1.00 0.00 N ATOM 555 CA LYS A 34 1.760 15.034 8.814 1.00 0.00 C ATOM 556 C LYS A 34 2.577 16.220 9.299 1.00 0.00 C ATOM 557 O LYS A 34 2.033 17.191 9.829 1.00 0.00 O ATOM 558 CB LYS A 34 1.804 13.907 9.846 1.00 0.00 C ATOM 559 CG LYS A 34 3.193 13.330 10.059 1.00 0.00 C ATOM 560 CD LYS A 34 3.212 12.329 11.203 1.00 0.00 C ATOM 561 CE LYS A 34 4.527 12.373 11.965 1.00 0.00 C ATOM 562 NZ LYS A 34 4.370 12.987 13.313 1.00 0.00 N ATOM 0 H LYS A 34 2.825 13.721 7.575 1.00 0.00 H new ATOM 0 HA LYS A 34 0.722 15.340 8.687 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.426 14.282 10.797 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.133 13.109 9.529 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.530 12.844 9.144 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.895 14.137 10.269 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.389 12.540 11.885 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.052 11.325 10.811 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.919 11.361 12.071 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.260 12.940 11.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.289 12.998 13.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.020 13.961 13.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.690 12.431 13.871 1.00 0.00 H new ATOM 576 N THR A 35 3.887 16.144 9.093 1.00 0.00 N ATOM 577 CA THR A 35 4.782 17.222 9.487 1.00 0.00 C ATOM 578 C THR A 35 4.461 18.475 8.684 1.00 0.00 C ATOM 579 O THR A 35 4.628 19.596 9.164 1.00 0.00 O ATOM 580 CB THR A 35 6.239 16.814 9.269 1.00 0.00 C ATOM 581 OG1 THR A 35 6.548 15.643 10.004 1.00 0.00 O ATOM 582 CG2 THR A 35 7.227 17.886 9.677 1.00 0.00 C ATOM 0 H THR A 35 4.351 15.348 8.656 1.00 0.00 H new ATOM 0 HA THR A 35 4.638 17.430 10.547 1.00 0.00 H new ATOM 0 HB THR A 35 6.334 16.643 8.197 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.615 14.881 9.392 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.242 17.533 9.497 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.047 18.788 9.092 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.104 18.110 10.737 1.00 0.00 H new ATOM 590 N ALA A 36 3.985 18.271 7.458 1.00 0.00 N ATOM 591 CA ALA A 36 3.622 19.376 6.585 1.00 0.00 C ATOM 592 C ALA A 36 2.173 19.793 6.817 1.00 0.00 C ATOM 593 O ALA A 36 1.798 20.938 6.563 1.00 0.00 O ATOM 594 CB ALA A 36 3.837 18.992 5.129 1.00 0.00 C ATOM 0 H ALA A 36 3.843 17.347 7.049 1.00 0.00 H new ATOM 0 HA ALA A 36 4.264 20.225 6.820 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.561 19.829 4.487 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.886 18.743 4.969 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.218 18.129 4.885 1.00 0.00 H new ATOM 600 N GLU A 37 1.361 18.856 7.305 1.00 0.00 N ATOM 601 CA GLU A 37 -0.045 19.130 7.576 1.00 0.00 C ATOM 602 C GLU A 37 -0.219 19.782 8.944 1.00 0.00 C ATOM 603 O GLU A 37 -1.230 20.433 9.207 1.00 0.00 O ATOM 604 CB GLU A 37 -0.861 17.837 7.508 1.00 0.00 C ATOM 605 CG GLU A 37 -1.439 17.553 6.131 1.00 0.00 C ATOM 606 CD GLU A 37 -2.576 16.550 6.172 1.00 0.00 C ATOM 607 OE1 GLU A 37 -2.481 15.576 6.947 1.00 0.00 O ATOM 608 OE2 GLU A 37 -3.562 16.740 5.430 1.00 0.00 O ATOM 0 H GLU A 37 1.654 17.903 7.520 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.407 19.821 6.815 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.228 17.002 7.806 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.676 17.893 8.230 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.797 18.484 5.692 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.650 17.176 5.480 1.00 0.00 H new ATOM 615 N GLN A 38 0.770 19.601 9.814 1.00 0.00 N ATOM 616 CA GLN A 38 0.723 20.172 11.155 1.00 0.00 C ATOM 617 C GLN A 38 0.519 21.683 11.101 1.00 0.00 C ATOM 618 O GLN A 38 -0.247 22.242 11.886 1.00 0.00 O ATOM 619 CB GLN A 38 2.009 19.843 11.916 1.00 0.00 C ATOM 620 CG GLN A 38 1.864 18.675 12.877 1.00 0.00 C ATOM 621 CD GLN A 38 3.162 18.337 13.583 1.00 0.00 C ATOM 622 OE1 GLN A 38 3.596 19.051 14.486 1.00 0.00 O ATOM 623 NE2 GLN A 38 3.791 17.241 13.172 1.00 0.00 N ATOM 0 H GLN A 38 1.613 19.063 9.614 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.125 19.732 11.680 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.798 19.617 11.199 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.327 20.724 12.473 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.102 18.912 13.619 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.514 17.800 12.329 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.395 16.678 12.419 1.00 0.00 H new ATOM 0 HE22 GLN A 38 4.670 16.963 13.609 1.00 0.00 H new ATOM 632 N GLN A 39 1.210 22.341 10.174 1.00 0.00 N ATOM 633 CA GLN A 39 1.098 23.788 10.029 1.00 0.00 C ATOM 634 C GLN A 39 0.595 24.170 8.639 1.00 0.00 C ATOM 635 O GLN A 39 0.020 25.242 8.453 1.00 0.00 O ATOM 636 CB GLN A 39 2.452 24.454 10.295 1.00 0.00 C ATOM 637 CG GLN A 39 3.436 24.329 9.139 1.00 0.00 C ATOM 638 CD GLN A 39 4.686 23.556 9.516 1.00 0.00 C ATOM 639 OE1 GLN A 39 4.651 22.244 9.321 1.00 0.00 O flip ATOM 640 NE2 GLN A 39 5.670 24.133 9.978 1.00 0.00 N flip ATOM 0 H GLN A 39 1.850 21.897 9.515 1.00 0.00 H new ATOM 0 HA GLN A 39 0.373 24.141 10.762 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.291 25.510 10.510 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.895 24.011 11.187 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.945 23.833 8.302 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.719 25.325 8.798 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.653 25.144 10.111 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.503 23.600 10.228 1.00 0.00 H new ATOM 649 N ASN A 40 0.830 23.294 7.663 1.00 0.00 N ATOM 650 CA ASN A 40 0.411 23.556 6.293 1.00 0.00 C ATOM 651 C ASN A 40 1.139 24.772 5.739 1.00 0.00 C ATOM 652 O ASN A 40 0.523 25.682 5.185 1.00 0.00 O ATOM 653 CB ASN A 40 -1.099 23.778 6.235 1.00 0.00 C ATOM 654 CG ASN A 40 -1.874 22.480 6.142 1.00 0.00 C ATOM 655 OD1 ASN A 40 -2.203 22.015 5.051 1.00 0.00 O ATOM 656 ND2 ASN A 40 -2.167 21.885 7.292 1.00 0.00 N ATOM 0 H ASN A 40 1.306 22.402 7.797 1.00 0.00 H new ATOM 0 HA ASN A 40 0.663 22.689 5.682 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.417 24.324 7.123 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.338 24.402 5.374 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -2.685 21.006 7.294 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -1.874 22.307 8.173 1.00 0.00 H new ATOM 663 N ALA A 41 2.461 24.777 5.898 1.00 0.00 N ATOM 664 CA ALA A 41 3.293 25.879 5.420 1.00 0.00 C ATOM 665 C ALA A 41 2.875 26.330 4.023 1.00 0.00 C ATOM 666 O ALA A 41 3.021 27.501 3.669 1.00 0.00 O ATOM 667 CB ALA A 41 4.758 25.474 5.429 1.00 0.00 C ATOM 0 H ALA A 41 2.980 24.028 6.356 1.00 0.00 H new ATOM 0 HA ALA A 41 3.153 26.722 6.097 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.367 26.304 5.071 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.058 25.216 6.445 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.901 24.611 4.778 1.00 0.00 H new ATOM 673 N SER A 42 2.350 25.396 3.236 1.00 0.00 N ATOM 674 CA SER A 42 1.906 25.699 1.881 1.00 0.00 C ATOM 675 C SER A 42 0.983 24.605 1.354 1.00 0.00 C ATOM 676 O SER A 42 1.388 23.451 1.213 1.00 0.00 O ATOM 677 CB SER A 42 3.111 25.864 0.950 1.00 0.00 C ATOM 678 OG SER A 42 4.307 25.437 1.579 1.00 0.00 O ATOM 0 H SER A 42 2.222 24.423 3.514 1.00 0.00 H new ATOM 0 HA SER A 42 1.349 26.636 1.908 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.951 25.288 0.038 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.205 26.909 0.655 1.00 0.00 H new ATOM 0 HG SER A 42 5.049 25.492 0.942 1.00 0.00 H new ATOM 684 N ASP A 43 -0.260 24.977 1.058 1.00 0.00 N ATOM 685 CA ASP A 43 -1.246 24.032 0.540 1.00 0.00 C ATOM 686 C ASP A 43 -0.657 23.220 -0.605 1.00 0.00 C ATOM 687 O ASP A 43 -0.733 21.991 -0.615 1.00 0.00 O ATOM 688 CB ASP A 43 -2.498 24.772 0.067 1.00 0.00 C ATOM 689 CG ASP A 43 -3.235 25.450 1.206 1.00 0.00 C ATOM 690 OD1 ASP A 43 -3.805 24.732 2.054 1.00 0.00 O ATOM 691 OD2 ASP A 43 -3.243 26.698 1.248 1.00 0.00 O ATOM 0 H ASP A 43 -0.609 25.929 1.168 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.523 23.351 1.345 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.216 25.519 -0.675 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.168 24.068 -0.427 1.00 0.00 H new ATOM 696 N ALA A 44 -0.054 23.919 -1.557 1.00 0.00 N ATOM 697 CA ALA A 44 0.570 23.266 -2.698 1.00 0.00 C ATOM 698 C ALA A 44 1.685 22.343 -2.227 1.00 0.00 C ATOM 699 O ALA A 44 1.978 21.329 -2.859 1.00 0.00 O ATOM 700 CB ALA A 44 1.110 24.303 -3.671 1.00 0.00 C ATOM 0 H ALA A 44 0.016 24.937 -1.561 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.181 22.669 -3.215 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.574 23.799 -4.519 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.292 24.931 -4.025 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.852 24.923 -3.167 1.00 0.00 H new ATOM 706 N GLU A 45 2.296 22.700 -1.099 1.00 0.00 N ATOM 707 CA GLU A 45 3.372 21.907 -0.523 1.00 0.00 C ATOM 708 C GLU A 45 2.812 20.670 0.163 1.00 0.00 C ATOM 709 O GLU A 45 3.353 19.573 0.030 1.00 0.00 O ATOM 710 CB GLU A 45 4.169 22.740 0.481 1.00 0.00 C ATOM 711 CG GLU A 45 5.573 22.215 0.730 1.00 0.00 C ATOM 712 CD GLU A 45 5.576 20.873 1.437 1.00 0.00 C ATOM 713 OE1 GLU A 45 4.727 20.671 2.330 1.00 0.00 O ATOM 714 OE2 GLU A 45 6.427 20.024 1.097 1.00 0.00 O ATOM 0 H GLU A 45 2.061 23.537 -0.566 1.00 0.00 H new ATOM 0 HA GLU A 45 4.036 21.594 -1.329 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.233 23.766 0.119 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.628 22.769 1.427 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.096 22.122 -0.222 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.127 22.938 1.329 1.00 0.00 H new ATOM 721 N VAL A 46 1.722 20.856 0.896 1.00 0.00 N ATOM 722 CA VAL A 46 1.085 19.752 1.602 1.00 0.00 C ATOM 723 C VAL A 46 0.315 18.861 0.634 1.00 0.00 C ATOM 724 O VAL A 46 0.115 17.674 0.895 1.00 0.00 O ATOM 725 CB VAL A 46 0.124 20.254 2.697 1.00 0.00 C ATOM 726 CG1 VAL A 46 -0.296 19.105 3.602 1.00 0.00 C ATOM 727 CG2 VAL A 46 0.766 21.375 3.505 1.00 0.00 C ATOM 0 H VAL A 46 1.262 21.758 1.017 1.00 0.00 H new ATOM 0 HA VAL A 46 1.882 19.177 2.073 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.768 20.655 2.216 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.975 19.476 4.370 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.801 18.341 3.010 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.586 18.673 4.075 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.071 21.715 4.272 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.677 21.007 3.978 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.011 22.206 2.844 1.00 0.00 H new ATOM 737 N SER A 47 -0.109 19.436 -0.487 1.00 0.00 N ATOM 738 CA SER A 47 -0.851 18.688 -1.494 1.00 0.00 C ATOM 739 C SER A 47 0.091 17.930 -2.419 1.00 0.00 C ATOM 740 O SER A 47 -0.316 16.991 -3.103 1.00 0.00 O ATOM 741 CB SER A 47 -1.743 19.626 -2.308 1.00 0.00 C ATOM 742 OG SER A 47 -2.936 18.976 -2.711 1.00 0.00 O ATOM 0 H SER A 47 0.049 20.416 -0.720 1.00 0.00 H new ATOM 0 HA SER A 47 -1.479 17.963 -0.976 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.988 20.506 -1.714 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.201 19.976 -3.187 1.00 0.00 H new ATOM 0 HG SER A 47 -3.489 19.598 -3.228 1.00 0.00 H new ATOM 748 N HIS A 48 1.353 18.338 -2.434 1.00 0.00 N ATOM 749 CA HIS A 48 2.351 17.694 -3.271 1.00 0.00 C ATOM 750 C HIS A 48 2.904 16.450 -2.588 1.00 0.00 C ATOM 751 O HIS A 48 3.234 15.462 -3.246 1.00 0.00 O ATOM 752 CB HIS A 48 3.479 18.673 -3.573 1.00 0.00 C ATOM 753 CG HIS A 48 4.303 18.294 -4.765 1.00 0.00 C ATOM 754 ND1 HIS A 48 4.920 17.131 -5.082 1.00 0.00 N flip ATOM 755 CD2 HIS A 48 4.573 19.163 -5.802 1.00 0.00 C flip ATOM 756 CE1 HIS A 48 5.543 17.318 -6.292 1.00 0.00 C flip ATOM 757 NE2 HIS A 48 5.318 18.551 -6.704 1.00 0.00 N flip ATOM 0 H HIS A 48 1.708 19.113 -1.874 1.00 0.00 H new ATOM 0 HA HIS A 48 1.880 17.390 -4.206 1.00 0.00 H new ATOM 0 HB2 HIS A 48 3.054 19.664 -3.736 1.00 0.00 H new ATOM 0 HB3 HIS A 48 4.129 18.745 -2.701 1.00 0.00 H new ATOM 0 HD1 HIS A 48 4.922 16.276 -4.526 1.00 0.00 H new ATOM 0 HD2 HIS A 48 4.229 20.185 -5.866 1.00 0.00 H new ATOM 0 HE1 HIS A 48 6.123 16.576 -6.820 1.00 0.00 H new ATOM 766 N MET A 49 3.000 16.502 -1.263 1.00 0.00 N ATOM 767 CA MET A 49 3.510 15.376 -0.492 1.00 0.00 C ATOM 768 C MET A 49 2.496 14.243 -0.463 1.00 0.00 C ATOM 769 O MET A 49 2.864 13.069 -0.534 1.00 0.00 O ATOM 770 CB MET A 49 3.853 15.812 0.933 1.00 0.00 C ATOM 771 CG MET A 49 4.886 16.925 0.998 1.00 0.00 C ATOM 772 SD MET A 49 6.577 16.301 1.037 1.00 0.00 S ATOM 773 CE MET A 49 7.238 17.021 -0.463 1.00 0.00 C ATOM 0 H MET A 49 2.732 17.311 -0.703 1.00 0.00 H new ATOM 0 HA MET A 49 4.419 15.017 -0.975 1.00 0.00 H new ATOM 0 HB2 MET A 49 2.942 16.144 1.431 1.00 0.00 H new ATOM 0 HB3 MET A 49 4.224 14.950 1.488 1.00 0.00 H new ATOM 0 HG2 MET A 49 4.764 17.579 0.135 1.00 0.00 H new ATOM 0 HG3 MET A 49 4.706 17.531 1.886 1.00 0.00 H new ATOM 0 HE1 MET A 49 8.310 16.830 -0.517 1.00 0.00 H new ATOM 0 HE2 MET A 49 6.746 16.575 -1.328 1.00 0.00 H new ATOM 0 HE3 MET A 49 7.061 18.096 -0.459 1.00 0.00 H new ATOM 783 N LYS A 50 1.221 14.594 -0.366 1.00 0.00 N ATOM 784 CA LYS A 50 0.168 13.591 -0.341 1.00 0.00 C ATOM 785 C LYS A 50 0.096 12.869 -1.675 1.00 0.00 C ATOM 786 O LYS A 50 -0.164 11.667 -1.728 1.00 0.00 O ATOM 787 CB LYS A 50 -1.182 14.220 -0.026 1.00 0.00 C ATOM 788 CG LYS A 50 -1.204 15.002 1.277 1.00 0.00 C ATOM 789 CD LYS A 50 -2.339 16.016 1.301 1.00 0.00 C ATOM 790 CE LYS A 50 -3.371 15.675 2.364 1.00 0.00 C ATOM 791 NZ LYS A 50 -3.863 14.276 2.231 1.00 0.00 N ATOM 0 H LYS A 50 0.894 15.558 -0.304 1.00 0.00 H new ATOM 0 HA LYS A 50 0.408 12.875 0.445 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.462 14.885 -0.843 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.937 13.435 0.019 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.313 14.313 2.114 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.252 15.517 1.410 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.935 17.011 1.491 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.820 16.048 0.323 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.933 15.814 3.353 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.212 16.364 2.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.844 14.219 2.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.827 13.989 1.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.263 13.642 2.796 1.00 0.00 H new ATOM 805 N LYS A 51 0.346 13.603 -2.756 1.00 0.00 N ATOM 806 CA LYS A 51 0.326 13.014 -4.087 1.00 0.00 C ATOM 807 C LYS A 51 1.250 11.805 -4.124 1.00 0.00 C ATOM 808 O LYS A 51 0.998 10.832 -4.834 1.00 0.00 O ATOM 809 CB LYS A 51 0.751 14.039 -5.138 1.00 0.00 C ATOM 810 CG LYS A 51 0.065 13.852 -6.483 1.00 0.00 C ATOM 811 CD LYS A 51 -0.610 15.131 -6.951 1.00 0.00 C ATOM 812 CE LYS A 51 -0.452 15.328 -8.450 1.00 0.00 C ATOM 813 NZ LYS A 51 -1.540 16.173 -9.016 1.00 0.00 N ATOM 0 H LYS A 51 0.563 14.599 -2.735 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.691 12.696 -4.316 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.535 15.040 -4.765 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.830 13.977 -5.278 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.798 13.535 -7.225 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.676 13.056 -6.406 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.669 15.098 -6.697 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.182 15.984 -6.424 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.513 15.792 -8.656 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.451 14.357 -8.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.396 16.284 -10.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.459 15.718 -8.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.525 17.108 -8.561 1.00 0.00 H new ATOM 827 N GLN A 52 2.314 11.870 -3.325 1.00 0.00 N ATOM 828 CA GLN A 52 3.267 10.778 -3.237 1.00 0.00 C ATOM 829 C GLN A 52 2.778 9.730 -2.239 1.00 0.00 C ATOM 830 O GLN A 52 3.186 8.570 -2.292 1.00 0.00 O ATOM 831 CB GLN A 52 4.642 11.305 -2.821 1.00 0.00 C ATOM 832 CG GLN A 52 5.160 12.419 -3.716 1.00 0.00 C ATOM 833 CD GLN A 52 5.420 11.954 -5.134 1.00 0.00 C ATOM 834 OE1 GLN A 52 4.501 11.550 -5.846 1.00 0.00 O ATOM 835 NE2 GLN A 52 6.679 12.009 -5.553 1.00 0.00 N ATOM 0 H GLN A 52 2.533 12.670 -2.731 1.00 0.00 H new ATOM 0 HA GLN A 52 3.355 10.312 -4.218 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.588 11.669 -1.795 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.356 10.481 -2.829 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.436 13.234 -3.732 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.082 12.820 -3.294 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.410 12.351 -4.929 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.915 11.709 -6.499 1.00 0.00 H new ATOM 844 N LYS A 53 1.889 10.146 -1.333 1.00 0.00 N ATOM 845 CA LYS A 53 1.334 9.242 -0.333 1.00 0.00 C ATOM 846 C LYS A 53 0.522 8.146 -0.998 1.00 0.00 C ATOM 847 O LYS A 53 0.817 6.962 -0.857 1.00 0.00 O ATOM 848 CB LYS A 53 0.438 10.014 0.627 1.00 0.00 C ATOM 849 CG LYS A 53 0.284 9.353 1.986 1.00 0.00 C ATOM 850 CD LYS A 53 -0.858 8.350 1.991 1.00 0.00 C ATOM 851 CE LYS A 53 -2.199 9.034 2.193 1.00 0.00 C ATOM 852 NZ LYS A 53 -2.831 9.412 0.899 1.00 0.00 N ATOM 0 H LYS A 53 1.541 11.103 -1.275 1.00 0.00 H new ATOM 0 HA LYS A 53 2.160 8.792 0.217 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.846 11.015 0.764 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.547 10.130 0.176 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.213 8.850 2.254 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.104 10.115 2.744 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.866 7.802 1.049 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.698 7.619 2.784 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.866 8.370 2.742 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.063 9.926 2.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.860 9.276 0.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.626 10.410 0.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.449 8.814 0.138 1.00 0.00 H new ATOM 866 N LEU A 54 -0.500 8.561 -1.733 1.00 0.00 N ATOM 867 CA LEU A 54 -1.366 7.631 -2.442 1.00 0.00 C ATOM 868 C LEU A 54 -0.544 6.775 -3.394 1.00 0.00 C ATOM 869 O LEU A 54 -0.950 5.675 -3.768 1.00 0.00 O ATOM 870 CB LEU A 54 -2.444 8.392 -3.217 1.00 0.00 C ATOM 871 CG LEU A 54 -3.445 7.512 -3.968 1.00 0.00 C ATOM 872 CD1 LEU A 54 -4.697 7.295 -3.131 1.00 0.00 C ATOM 873 CD2 LEU A 54 -3.801 8.134 -5.309 1.00 0.00 C ATOM 0 H LEU A 54 -0.750 9.542 -1.854 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.853 6.983 -1.713 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.992 9.026 -2.520 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.956 9.054 -3.933 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.981 6.543 -4.151 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.398 6.667 -3.681 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.428 6.806 -2.195 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.163 8.257 -2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.514 7.494 -5.829 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.245 9.116 -5.148 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.899 8.238 -5.913 1.00 0.00 H new ATOM 885 N LYS A 55 0.625 7.284 -3.771 1.00 0.00 N ATOM 886 CA LYS A 55 1.513 6.554 -4.666 1.00 0.00 C ATOM 887 C LYS A 55 2.283 5.510 -3.886 1.00 0.00 C ATOM 888 O LYS A 55 2.218 4.320 -4.193 1.00 0.00 O ATOM 889 CB LYS A 55 2.472 7.505 -5.384 1.00 0.00 C ATOM 890 CG LYS A 55 2.965 6.975 -6.721 1.00 0.00 C ATOM 891 CD LYS A 55 4.453 7.226 -6.912 1.00 0.00 C ATOM 892 CE LYS A 55 4.706 8.354 -7.900 1.00 0.00 C ATOM 893 NZ LYS A 55 6.106 8.344 -8.408 1.00 0.00 N ATOM 0 H LYS A 55 0.977 8.194 -3.472 1.00 0.00 H new ATOM 0 HA LYS A 55 0.909 6.056 -5.424 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.972 8.460 -5.543 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.330 7.698 -4.740 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.765 5.905 -6.784 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.409 7.451 -7.529 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.907 7.473 -5.952 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.934 6.315 -7.268 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.015 8.264 -8.738 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.501 9.311 -7.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.238 9.128 -9.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.765 8.455 -7.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.294 7.442 -8.889 1.00 0.00 H new ATOM 907 N LEU A 56 2.978 5.950 -2.849 1.00 0.00 N ATOM 908 CA LEU A 56 3.711 5.028 -2.005 1.00 0.00 C ATOM 909 C LEU A 56 2.725 4.194 -1.197 1.00 0.00 C ATOM 910 O LEU A 56 3.108 3.229 -0.537 1.00 0.00 O ATOM 911 CB LEU A 56 4.669 5.777 -1.076 1.00 0.00 C ATOM 912 CG LEU A 56 6.016 6.158 -1.699 1.00 0.00 C ATOM 913 CD1 LEU A 56 6.946 6.744 -0.645 1.00 0.00 C ATOM 914 CD2 LEU A 56 6.659 4.950 -2.365 1.00 0.00 C ATOM 0 H LEU A 56 3.048 6.930 -2.576 1.00 0.00 H new ATOM 0 HA LEU A 56 4.310 4.371 -2.636 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.177 6.686 -0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.855 5.160 -0.197 1.00 0.00 H new ATOM 0 HG LEU A 56 5.838 6.916 -2.461 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.898 7.009 -1.106 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.491 7.636 -0.214 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.116 6.008 0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.614 5.241 -2.801 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.822 4.169 -1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.002 4.574 -3.149 1.00 0.00 H new ATOM 926 N LYS A 57 1.441 4.559 -1.277 1.00 0.00 N ATOM 927 CA LYS A 57 0.403 3.822 -0.575 1.00 0.00 C ATOM 928 C LYS A 57 -0.087 2.682 -1.452 1.00 0.00 C ATOM 929 O LYS A 57 -0.494 1.634 -0.958 1.00 0.00 O ATOM 930 CB LYS A 57 -0.767 4.736 -0.208 1.00 0.00 C ATOM 931 CG LYS A 57 -1.963 3.992 0.370 1.00 0.00 C ATOM 932 CD LYS A 57 -3.237 4.817 0.274 1.00 0.00 C ATOM 933 CE LYS A 57 -3.885 5.008 1.637 1.00 0.00 C ATOM 934 NZ LYS A 57 -5.369 4.908 1.565 1.00 0.00 N ATOM 0 H LYS A 57 1.104 5.355 -1.818 1.00 0.00 H new ATOM 0 HA LYS A 57 0.823 3.423 0.348 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.426 5.476 0.516 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.084 5.281 -1.097 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.098 3.050 -0.162 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.768 3.743 1.413 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.009 5.790 -0.161 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.940 4.325 -0.398 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.504 4.257 2.329 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.606 5.982 2.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.773 5.044 2.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.736 5.641 0.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.637 3.969 1.206 1.00 0.00 H new ATOM 948 N ASP A 58 -0.035 2.898 -2.763 1.00 0.00 N ATOM 949 CA ASP A 58 -0.464 1.890 -3.716 1.00 0.00 C ATOM 950 C ASP A 58 0.352 0.619 -3.539 1.00 0.00 C ATOM 951 O ASP A 58 -0.167 -0.483 -3.682 1.00 0.00 O ATOM 952 CB ASP A 58 -0.322 2.413 -5.147 1.00 0.00 C ATOM 953 CG ASP A 58 -1.483 2.001 -6.031 1.00 0.00 C ATOM 954 OD1 ASP A 58 -2.644 2.203 -5.618 1.00 0.00 O ATOM 955 OD2 ASP A 58 -1.230 1.477 -7.137 1.00 0.00 O ATOM 0 H ASP A 58 0.301 3.763 -3.186 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.514 1.663 -3.532 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.251 3.501 -5.128 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.608 2.041 -5.576 1.00 0.00 H new ATOM 960 N GLU A 59 1.633 0.783 -3.222 1.00 0.00 N ATOM 961 CA GLU A 59 2.517 -0.360 -3.020 1.00 0.00 C ATOM 962 C GLU A 59 2.167 -1.104 -1.734 1.00 0.00 C ATOM 963 O GLU A 59 2.142 -2.334 -1.703 1.00 0.00 O ATOM 964 CB GLU A 59 3.977 0.089 -2.981 1.00 0.00 C ATOM 965 CG GLU A 59 4.238 1.242 -2.025 1.00 0.00 C ATOM 966 CD GLU A 59 5.713 1.565 -1.890 1.00 0.00 C ATOM 967 OE1 GLU A 59 6.470 1.290 -2.845 1.00 0.00 O ATOM 968 OE2 GLU A 59 6.111 2.095 -0.832 1.00 0.00 O ATOM 0 H GLU A 59 2.080 1.692 -3.100 1.00 0.00 H new ATOM 0 HA GLU A 59 2.378 -1.040 -3.861 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.600 -0.758 -2.693 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.284 0.384 -3.984 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.707 2.127 -2.375 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.833 0.994 -1.044 1.00 0.00 H new ATOM 975 N ILE A 60 1.891 -0.348 -0.677 1.00 0.00 N ATOM 976 CA ILE A 60 1.532 -0.933 0.609 1.00 0.00 C ATOM 977 C ILE A 60 0.108 -1.467 0.556 1.00 0.00 C ATOM 978 O ILE A 60 -0.200 -2.514 1.127 1.00 0.00 O ATOM 979 CB ILE A 60 1.662 0.097 1.755 1.00 0.00 C ATOM 980 CG1 ILE A 60 3.132 0.468 1.972 1.00 0.00 C ATOM 981 CG2 ILE A 60 1.050 -0.440 3.044 1.00 0.00 C ATOM 982 CD1 ILE A 60 3.932 -0.599 2.693 1.00 0.00 C ATOM 0 H ILE A 60 1.909 0.672 -0.686 1.00 0.00 H new ATOM 0 HA ILE A 60 2.223 -1.751 0.810 1.00 0.00 H new ATOM 0 HB ILE A 60 1.113 0.995 1.470 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.594 0.664 1.005 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.183 1.395 2.543 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.155 0.304 3.834 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.007 -0.653 2.884 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.564 -1.355 3.337 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.963 -0.264 2.810 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.496 -0.779 3.675 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.914 -1.522 2.113 1.00 0.00 H new ATOM 994 N HIS A 61 -0.753 -0.746 -0.153 1.00 0.00 N ATOM 995 CA HIS A 61 -2.142 -1.153 -0.307 1.00 0.00 C ATOM 996 C HIS A 61 -2.220 -2.321 -1.273 1.00 0.00 C ATOM 997 O HIS A 61 -2.997 -3.253 -1.078 1.00 0.00 O ATOM 998 CB HIS A 61 -2.994 0.013 -0.810 1.00 0.00 C ATOM 999 CG HIS A 61 -4.456 -0.151 -0.532 1.00 0.00 C ATOM 1000 ND1 HIS A 61 -5.296 -0.896 -1.332 1.00 0.00 N ATOM 1001 CD2 HIS A 61 -5.229 0.341 0.466 1.00 0.00 C ATOM 1002 CE1 HIS A 61 -6.521 -0.855 -0.840 1.00 0.00 C ATOM 1003 NE2 HIS A 61 -6.507 -0.112 0.252 1.00 0.00 N ATOM 0 H HIS A 61 -0.512 0.123 -0.630 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.532 -1.461 0.663 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -2.645 0.935 -0.344 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.847 0.123 -1.884 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -4.901 0.972 1.279 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -7.387 -1.346 -1.259 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -7.315 0.092 0.841 1.00 0.00 H new ATOM 1012 N SER A 62 -1.389 -2.273 -2.308 1.00 0.00 N ATOM 1013 CA SER A 62 -1.349 -3.345 -3.290 1.00 0.00 C ATOM 1014 C SER A 62 -0.895 -4.634 -2.623 1.00 0.00 C ATOM 1015 O SER A 62 -1.326 -5.725 -2.994 1.00 0.00 O ATOM 1016 CB SER A 62 -0.408 -3.000 -4.446 1.00 0.00 C ATOM 1017 OG SER A 62 -1.017 -2.092 -5.347 1.00 0.00 O ATOM 0 H SER A 62 -0.739 -1.508 -2.487 1.00 0.00 H new ATOM 0 HA SER A 62 -2.352 -3.475 -3.696 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.511 -2.566 -4.053 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.129 -3.911 -4.976 1.00 0.00 H new ATOM 0 HG SER A 62 -1.100 -1.214 -4.920 1.00 0.00 H new ATOM 1023 N MET A 63 -0.020 -4.499 -1.625 1.00 0.00 N ATOM 1024 CA MET A 63 0.488 -5.658 -0.902 1.00 0.00 C ATOM 1025 C MET A 63 -0.655 -6.482 -0.307 1.00 0.00 C ATOM 1026 O MET A 63 -0.660 -7.707 -0.406 1.00 0.00 O ATOM 1027 CB MET A 63 1.444 -5.215 0.208 1.00 0.00 C ATOM 1028 CG MET A 63 2.864 -4.972 -0.275 1.00 0.00 C ATOM 1029 SD MET A 63 3.767 -6.503 -0.575 1.00 0.00 S ATOM 1030 CE MET A 63 5.368 -6.095 0.115 1.00 0.00 C ATOM 0 H MET A 63 0.347 -3.604 -1.303 1.00 0.00 H new ATOM 0 HA MET A 63 1.029 -6.285 -1.611 1.00 0.00 H new ATOM 0 HB2 MET A 63 1.062 -4.301 0.662 1.00 0.00 H new ATOM 0 HB3 MET A 63 1.459 -5.976 0.988 1.00 0.00 H new ATOM 0 HG2 MET A 63 2.836 -4.385 -1.193 1.00 0.00 H new ATOM 0 HG3 MET A 63 3.399 -4.378 0.466 1.00 0.00 H new ATOM 0 HE1 MET A 63 5.795 -6.978 0.590 1.00 0.00 H new ATOM 0 HE2 MET A 63 6.031 -5.754 -0.680 1.00 0.00 H new ATOM 0 HE3 MET A 63 5.254 -5.304 0.856 1.00 0.00 H new ATOM 1040 N ILE A 64 -1.618 -5.801 0.314 1.00 0.00 N ATOM 1041 CA ILE A 64 -2.760 -6.475 0.929 1.00 0.00 C ATOM 1042 C ILE A 64 -3.569 -7.253 -0.097 1.00 0.00 C ATOM 1043 O ILE A 64 -4.071 -8.340 0.189 1.00 0.00 O ATOM 1044 CB ILE A 64 -3.672 -5.474 1.667 1.00 0.00 C ATOM 1045 CG1 ILE A 64 -4.371 -6.153 2.847 1.00 0.00 C ATOM 1046 CG2 ILE A 64 -4.698 -4.844 0.734 1.00 0.00 C ATOM 1047 CD1 ILE A 64 -5.358 -7.223 2.432 1.00 0.00 C ATOM 0 H ILE A 64 -1.630 -4.785 0.404 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.357 -7.180 1.656 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.036 -4.673 2.044 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.618 -6.598 3.498 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -4.893 -5.397 3.434 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.319 -4.146 1.295 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.184 -4.311 -0.065 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -5.326 -5.624 0.304 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.815 -7.661 3.320 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.133 -6.780 1.806 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.838 -8.000 1.871 1.00 0.00 H new ATOM 1059 N ILE A 65 -3.681 -6.703 -1.299 1.00 0.00 N ATOM 1060 CA ILE A 65 -4.414 -7.370 -2.363 1.00 0.00 C ATOM 1061 C ILE A 65 -3.762 -8.706 -2.654 1.00 0.00 C ATOM 1062 O ILE A 65 -4.433 -9.725 -2.815 1.00 0.00 O ATOM 1063 CB ILE A 65 -4.450 -6.527 -3.652 1.00 0.00 C ATOM 1064 CG1 ILE A 65 -4.632 -5.037 -3.334 1.00 0.00 C ATOM 1065 CG2 ILE A 65 -5.557 -7.016 -4.573 1.00 0.00 C ATOM 1066 CD1 ILE A 65 -5.725 -4.744 -2.323 1.00 0.00 C ATOM 0 H ILE A 65 -3.276 -5.803 -1.559 1.00 0.00 H new ATOM 0 HA ILE A 65 -5.442 -7.510 -2.028 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.494 -6.646 -4.161 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.689 -4.640 -2.958 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.856 -4.505 -4.258 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.570 -6.411 -5.479 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.378 -8.059 -4.835 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.518 -6.930 -4.065 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.787 -3.669 -2.156 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.680 -5.108 -2.703 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.495 -5.245 -1.383 1.00 0.00 H new ATOM 1078 N GLU A 66 -2.436 -8.693 -2.676 1.00 0.00 N ATOM 1079 CA GLU A 66 -1.668 -9.902 -2.897 1.00 0.00 C ATOM 1080 C GLU A 66 -1.565 -10.678 -1.589 1.00 0.00 C ATOM 1081 O GLU A 66 -1.266 -11.873 -1.584 1.00 0.00 O ATOM 1082 CB GLU A 66 -0.273 -9.565 -3.426 1.00 0.00 C ATOM 1083 CG GLU A 66 0.294 -10.618 -4.363 1.00 0.00 C ATOM 1084 CD GLU A 66 0.351 -10.147 -5.804 1.00 0.00 C ATOM 1085 OE1 GLU A 66 -0.709 -9.779 -6.350 1.00 0.00 O ATOM 1086 OE2 GLU A 66 1.457 -10.149 -6.385 1.00 0.00 O ATOM 0 H GLU A 66 -1.872 -7.854 -2.543 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.173 -10.515 -3.644 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.313 -8.609 -3.949 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.405 -9.438 -2.582 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.297 -10.890 -4.034 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.317 -11.519 -4.303 1.00 0.00 H new ATOM 1093 N TYR A 67 -1.822 -9.986 -0.473 1.00 0.00 N ATOM 1094 CA TYR A 67 -1.765 -10.613 0.840 1.00 0.00 C ATOM 1095 C TYR A 67 -3.049 -11.382 1.131 1.00 0.00 C ATOM 1096 O TYR A 67 -3.028 -12.403 1.817 1.00 0.00 O ATOM 1097 CB TYR A 67 -1.533 -9.560 1.925 1.00 0.00 C ATOM 1098 CG TYR A 67 -0.615 -10.025 3.034 1.00 0.00 C ATOM 1099 CD1 TYR A 67 0.761 -9.863 2.936 1.00 0.00 C ATOM 1100 CD2 TYR A 67 -1.126 -10.628 4.176 1.00 0.00 C ATOM 1101 CE1 TYR A 67 1.602 -10.289 3.946 1.00 0.00 C ATOM 1102 CE2 TYR A 67 -0.291 -11.056 5.191 1.00 0.00 C ATOM 1103 CZ TYR A 67 1.072 -10.884 5.071 1.00 0.00 C ATOM 1104 OH TYR A 67 1.907 -11.310 6.078 1.00 0.00 O ATOM 0 H TYR A 67 -2.070 -8.997 -0.459 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.931 -11.315 0.842 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.111 -8.665 1.467 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.493 -9.276 2.355 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.180 -9.397 2.057 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.193 -10.765 4.273 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.670 -10.156 3.855 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.704 -11.523 6.073 1.00 0.00 H new ATOM 0 HH TYR A 67 1.374 -11.706 6.799 1.00 0.00 H new ATOM 1114 N ARG A 68 -4.167 -10.888 0.606 1.00 0.00 N ATOM 1115 CA ARG A 68 -5.456 -11.538 0.818 1.00 0.00 C ATOM 1116 C ARG A 68 -5.596 -12.766 -0.072 1.00 0.00 C ATOM 1117 O ARG A 68 -6.235 -13.748 0.305 1.00 0.00 O ATOM 1118 CB ARG A 68 -6.603 -10.560 0.554 1.00 0.00 C ATOM 1119 CG ARG A 68 -6.668 -10.065 -0.882 1.00 0.00 C ATOM 1120 CD ARG A 68 -8.059 -10.234 -1.471 1.00 0.00 C ATOM 1121 NE ARG A 68 -8.990 -9.222 -0.977 1.00 0.00 N ATOM 1122 CZ ARG A 68 -10.142 -8.922 -1.571 1.00 0.00 C ATOM 1123 NH1 ARG A 68 -10.510 -9.552 -2.680 1.00 0.00 N ATOM 1124 NH2 ARG A 68 -10.929 -7.988 -1.055 1.00 0.00 N ATOM 0 H ARG A 68 -4.206 -10.044 0.034 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.504 -11.859 1.859 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.547 -11.045 0.805 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.498 -9.703 1.220 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.383 -9.014 -0.918 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.947 -10.612 -1.489 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.002 -10.174 -2.558 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.438 -11.226 -1.226 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.742 -8.716 -0.127 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.908 -10.271 -3.082 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.395 -9.317 -3.130 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.651 -7.500 -0.203 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.812 -7.757 -1.510 1.00 0.00 H new ATOM 1138 N GLU A 69 -4.986 -12.712 -1.250 1.00 0.00 N ATOM 1139 CA GLU A 69 -5.035 -13.829 -2.185 1.00 0.00 C ATOM 1140 C GLU A 69 -3.942 -14.844 -1.862 1.00 0.00 C ATOM 1141 O GLU A 69 -4.018 -16.004 -2.263 1.00 0.00 O ATOM 1142 CB GLU A 69 -4.886 -13.329 -3.624 1.00 0.00 C ATOM 1143 CG GLU A 69 -6.040 -13.730 -4.529 1.00 0.00 C ATOM 1144 CD GLU A 69 -6.896 -12.549 -4.941 1.00 0.00 C ATOM 1145 OE1 GLU A 69 -6.384 -11.667 -5.662 1.00 0.00 O ATOM 1146 OE2 GLU A 69 -8.079 -12.506 -4.542 1.00 0.00 O ATOM 0 H GLU A 69 -4.452 -11.908 -1.580 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.004 -14.318 -2.086 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.802 -12.242 -3.616 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.956 -13.717 -4.040 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.645 -14.216 -5.421 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.662 -14.463 -4.015 1.00 0.00 H new ATOM 1153 N LYS A 70 -2.938 -14.397 -1.119 1.00 0.00 N ATOM 1154 CA LYS A 70 -1.838 -15.249 -0.713 1.00 0.00 C ATOM 1155 C LYS A 70 -2.171 -15.894 0.622 1.00 0.00 C ATOM 1156 O LYS A 70 -1.956 -17.083 0.819 1.00 0.00 O ATOM 1157 CB LYS A 70 -0.547 -14.431 -0.605 1.00 0.00 C ATOM 1158 CG LYS A 70 0.609 -15.183 0.036 1.00 0.00 C ATOM 1159 CD LYS A 70 1.862 -14.325 0.104 1.00 0.00 C ATOM 1160 CE LYS A 70 2.768 -14.750 1.248 1.00 0.00 C ATOM 1161 NZ LYS A 70 4.207 -14.693 0.868 1.00 0.00 N ATOM 0 H LYS A 70 -2.867 -13.436 -0.784 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.687 -16.028 -1.460 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.249 -14.108 -1.603 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -0.747 -13.530 -0.025 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.327 -15.498 1.041 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.817 -16.088 -0.535 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.405 -14.398 -0.838 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.582 -13.279 0.230 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.594 -14.104 2.108 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.514 -15.764 1.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.791 -14.990 1.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.379 -15.329 0.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.457 -13.720 0.600 1.00 0.00 H new ATOM 1175 N GLN A 71 -2.715 -15.094 1.531 1.00 0.00 N ATOM 1176 CA GLN A 71 -3.095 -15.583 2.846 1.00 0.00 C ATOM 1177 C GLN A 71 -4.365 -16.411 2.760 1.00 0.00 C ATOM 1178 O GLN A 71 -4.599 -17.284 3.588 1.00 0.00 O ATOM 1179 CB GLN A 71 -3.285 -14.418 3.816 1.00 0.00 C ATOM 1180 CG GLN A 71 -3.144 -14.811 5.278 1.00 0.00 C ATOM 1181 CD GLN A 71 -4.092 -14.046 6.181 1.00 0.00 C ATOM 1182 OE1 GLN A 71 -3.713 -13.051 6.798 1.00 0.00 O ATOM 1183 NE2 GLN A 71 -5.335 -14.509 6.262 1.00 0.00 N ATOM 0 H GLN A 71 -2.902 -14.103 1.379 1.00 0.00 H new ATOM 0 HA GLN A 71 -2.292 -16.218 3.221 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.555 -13.642 3.585 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.272 -13.984 3.659 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -3.331 -15.880 5.383 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.118 -14.634 5.601 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -5.606 -15.338 5.733 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.018 -14.036 6.853 1.00 0.00 H new ATOM 1192 N LYS A 72 -5.183 -16.152 1.749 1.00 0.00 N ATOM 1193 CA LYS A 72 -6.408 -16.914 1.587 1.00 0.00 C ATOM 1194 C LYS A 72 -6.158 -18.135 0.718 1.00 0.00 C ATOM 1195 O LYS A 72 -6.852 -19.142 0.829 1.00 0.00 O ATOM 1196 CB LYS A 72 -7.520 -16.048 0.996 1.00 0.00 C ATOM 1197 CG LYS A 72 -8.869 -16.746 0.944 1.00 0.00 C ATOM 1198 CD LYS A 72 -9.168 -17.279 -0.448 1.00 0.00 C ATOM 1199 CE LYS A 72 -10.662 -17.443 -0.672 1.00 0.00 C ATOM 1200 NZ LYS A 72 -10.970 -18.643 -1.498 1.00 0.00 N ATOM 0 H LYS A 72 -5.023 -15.434 1.042 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.734 -17.249 2.572 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.614 -15.137 1.588 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.237 -15.746 -0.012 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.882 -17.568 1.660 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.652 -16.049 1.244 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.760 -16.598 -1.195 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.671 -18.239 -0.586 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.167 -17.525 0.291 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.056 -16.553 -1.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.999 -18.720 -1.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.509 -18.553 -2.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.617 -19.495 -1.017 1.00 0.00 H new ATOM 1214 N SER A 73 -5.145 -18.052 -0.129 1.00 0.00 N ATOM 1215 CA SER A 73 -4.793 -19.168 -0.982 1.00 0.00 C ATOM 1216 C SER A 73 -3.785 -20.047 -0.263 1.00 0.00 C ATOM 1217 O SER A 73 -3.808 -21.271 -0.385 1.00 0.00 O ATOM 1218 CB SER A 73 -4.215 -18.675 -2.305 1.00 0.00 C ATOM 1219 OG SER A 73 -3.957 -19.754 -3.186 1.00 0.00 O ATOM 0 H SER A 73 -4.556 -17.227 -0.242 1.00 0.00 H new ATOM 0 HA SER A 73 -5.691 -19.746 -1.201 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.912 -17.979 -2.772 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.292 -18.125 -2.119 1.00 0.00 H new ATOM 0 HG SER A 73 -3.589 -19.409 -4.026 1.00 0.00 H new ATOM 1225 N GLU A 74 -2.899 -19.406 0.499 1.00 0.00 N ATOM 1226 CA GLU A 74 -1.885 -20.136 1.251 1.00 0.00 C ATOM 1227 C GLU A 74 -2.407 -20.550 2.626 1.00 0.00 C ATOM 1228 O GLU A 74 -2.131 -21.658 3.085 1.00 0.00 O ATOM 1229 CB GLU A 74 -0.609 -19.308 1.407 1.00 0.00 C ATOM 1230 CG GLU A 74 -0.025 -18.832 0.085 1.00 0.00 C ATOM 1231 CD GLU A 74 1.348 -19.413 -0.189 1.00 0.00 C ATOM 1232 OE1 GLU A 74 1.607 -20.558 0.240 1.00 0.00 O ATOM 1233 OE2 GLU A 74 2.166 -18.724 -0.835 1.00 0.00 O ATOM 0 H GLU A 74 -2.864 -18.393 0.610 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.649 -21.036 0.683 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.823 -18.442 2.033 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.138 -19.903 1.931 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.700 -19.106 -0.726 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.040 -17.744 0.091 1.00 0.00 H new ATOM 1240 N ARG A 75 -3.168 -19.671 3.286 1.00 0.00 N ATOM 1241 CA ARG A 75 -3.710 -20.001 4.599 1.00 0.00 C ATOM 1242 C ARG A 75 -5.083 -20.639 4.458 1.00 0.00 C ATOM 1243 O ARG A 75 -5.468 -21.491 5.259 1.00 0.00 O ATOM 1244 CB ARG A 75 -3.785 -18.763 5.495 1.00 0.00 C ATOM 1245 CG ARG A 75 -3.361 -19.026 6.931 1.00 0.00 C ATOM 1246 CD ARG A 75 -2.546 -17.873 7.495 1.00 0.00 C ATOM 1247 NE ARG A 75 -1.434 -17.509 6.621 1.00 0.00 N ATOM 1248 CZ ARG A 75 -0.294 -18.193 6.547 1.00 0.00 C ATOM 1249 NH1 ARG A 75 -0.112 -19.276 7.294 1.00 0.00 N ATOM 1250 NH2 ARG A 75 0.666 -17.794 5.724 1.00 0.00 N ATOM 0 H ARG A 75 -3.416 -18.745 2.938 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.036 -20.716 5.072 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.152 -17.982 5.075 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.806 -18.382 5.490 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.245 -19.184 7.549 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.774 -19.943 6.975 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.193 -17.008 7.638 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.160 -18.148 8.477 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.537 -16.682 6.033 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.848 -19.588 7.928 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.763 -19.796 7.233 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.531 -16.963 5.148 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.539 -18.318 5.667 1.00 0.00 H new ATOM 1264 N ALA A 76 -5.815 -20.224 3.430 1.00 0.00 N ATOM 1265 CA ALA A 76 -7.149 -20.766 3.184 1.00 0.00 C ATOM 1266 C ALA A 76 -7.171 -21.618 1.919 1.00 0.00 C ATOM 1267 O ALA A 76 -8.257 -22.127 1.569 1.00 0.00 O ATOM 1268 CB ALA A 76 -8.172 -19.643 3.090 1.00 0.00 C ATOM 1269 OXT ALA A 76 -6.103 -21.768 1.288 1.00 0.00 O ATOM 0 H ALA A 76 -5.512 -19.520 2.758 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.413 -21.407 4.025 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.160 -20.065 2.906 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.185 -19.083 4.025 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.905 -18.975 2.271 1.00 0.00 H new TER 1275 ALA A 76