USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1000 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 112 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 147:sc= -0.131 (180deg=-0.837) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= -1.35! USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -154:sc= -0.0217 (180deg=-0.279) USER MOD Single : A 31 ASN : amide:sc= -0.0195 X(o=-0.02,f=0) USER MOD Single : A 32 ASN : amide:sc= -0.758 K(o=-0.76,f=-5.5!) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0226) USER MOD Single : A 47 GLN : amide:sc= -0.126 K(o=-0.13,f=-0.63) USER MOD Single : A 51 TYR OH : rot 130:sc= -2.08 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -1.05 K(o=-1,f=-2.4!) USER MOD Single : A 60 MET CE :methyl 172:sc= -1.01 (180deg=-1.46) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.291 F(o=-4.2!,f=-0.29) USER MOD Single : A 63 MET CE :methyl 143:sc= 0 (180deg=-0.583) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -81:sc= 0.871 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 160:sc= 0.0193 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.876! USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -151:sc= -0.238 (180deg=-1.47!) USER MOD Single : A 94 ASN : amide:sc= -0.592 X(o=-0.59,f=-0.93!) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= -1.04 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ -152:sc= -2.98! (180deg=-4.77!) USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 LYS NZ :NH3+ -150:sc= -0.0815 (180deg=-0.71) USER MOD Single : A 126 LYS NZ :NH3+ 177:sc= -0.741 (180deg=-0.883) USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -14.447 -0.853 7.872 1.00 0.00 N ATOM 2 CA ALA A 2 -13.537 0.078 8.597 1.00 0.00 C ATOM 3 C ALA A 2 -13.897 1.524 8.245 1.00 0.00 C ATOM 4 O ALA A 2 -14.882 1.782 7.581 1.00 0.00 O ATOM 5 CB ALA A 2 -12.091 -0.208 8.185 1.00 0.00 C ATOM 0 HA ALA A 2 -13.645 -0.067 9.672 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.421 0.471 8.713 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.837 -1.237 8.438 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.983 -0.061 7.110 1.00 0.00 H new ATOM 11 N ASP A 3 -13.107 2.468 8.687 1.00 0.00 N ATOM 12 CA ASP A 3 -13.398 3.899 8.381 1.00 0.00 C ATOM 13 C ASP A 3 -13.768 4.035 6.904 1.00 0.00 C ATOM 14 O ASP A 3 -13.198 3.381 6.056 1.00 0.00 O ATOM 15 CB ASP A 3 -12.153 4.742 8.671 1.00 0.00 C ATOM 16 CG ASP A 3 -12.529 6.226 8.694 1.00 0.00 C ATOM 17 OD1 ASP A 3 -13.713 6.519 8.728 1.00 0.00 O ATOM 18 OD2 ASP A 3 -11.625 7.045 8.678 1.00 0.00 O ATOM 0 H ASP A 3 -12.271 2.308 9.248 1.00 0.00 H new ATOM 0 HA ASP A 3 -14.226 4.245 8.999 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.720 4.452 9.628 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.394 4.561 7.910 1.00 0.00 H new ATOM 23 N LYS A 4 -14.719 4.868 6.582 1.00 0.00 N ATOM 24 CA LYS A 4 -15.103 5.025 5.151 1.00 0.00 C ATOM 25 C LYS A 4 -14.271 6.133 4.508 1.00 0.00 C ATOM 26 O LYS A 4 -14.593 6.611 3.439 1.00 0.00 O ATOM 27 CB LYS A 4 -16.576 5.405 5.033 1.00 0.00 C ATOM 28 CG LYS A 4 -17.452 4.283 5.588 1.00 0.00 C ATOM 29 CD LYS A 4 -18.363 3.771 4.471 1.00 0.00 C ATOM 30 CE LYS A 4 -19.215 2.614 4.988 1.00 0.00 C ATOM 31 NZ LYS A 4 -19.881 3.018 6.259 1.00 0.00 N ATOM 0 H LYS A 4 -15.243 5.443 7.242 1.00 0.00 H new ATOM 0 HA LYS A 4 -14.925 4.076 4.646 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.766 6.329 5.578 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.829 5.593 3.990 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.831 3.473 5.970 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -18.048 4.648 6.424 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -19.005 4.577 4.115 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -17.763 3.442 3.622 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -19.963 2.338 4.245 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.592 1.735 5.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.811 2.557 6.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -19.292 2.729 7.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -20.005 4.050 6.273 1.00 0.00 H new ATOM 45 N GLU A 5 -13.222 6.566 5.149 1.00 0.00 N ATOM 46 CA GLU A 5 -12.405 7.663 4.558 1.00 0.00 C ATOM 47 C GLU A 5 -10.937 7.502 4.950 1.00 0.00 C ATOM 48 O GLU A 5 -10.270 8.461 5.282 1.00 0.00 O ATOM 49 CB GLU A 5 -12.920 9.009 5.072 1.00 0.00 C ATOM 50 CG GLU A 5 -12.442 10.128 4.146 1.00 0.00 C ATOM 51 CD GLU A 5 -12.517 11.467 4.882 1.00 0.00 C ATOM 52 OE1 GLU A 5 -11.731 11.665 5.794 1.00 0.00 O ATOM 53 OE2 GLU A 5 -13.361 12.273 4.521 1.00 0.00 O ATOM 0 H GLU A 5 -12.897 6.212 6.049 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.488 7.621 3.472 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -14.009 9.000 5.116 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.561 9.184 6.086 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.419 9.935 3.823 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -13.059 10.160 3.248 1.00 0.00 H new ATOM 60 N LEU A 6 -10.417 6.308 4.901 1.00 0.00 N ATOM 61 CA LEU A 6 -8.991 6.125 5.257 1.00 0.00 C ATOM 62 C LEU A 6 -8.154 6.665 4.098 1.00 0.00 C ATOM 63 O LEU A 6 -8.479 6.458 2.948 1.00 0.00 O ATOM 64 CB LEU A 6 -8.710 4.637 5.505 1.00 0.00 C ATOM 65 CG LEU A 6 -7.248 4.413 5.918 1.00 0.00 C ATOM 66 CD1 LEU A 6 -6.914 5.250 7.151 1.00 0.00 C ATOM 67 CD2 LEU A 6 -7.049 2.944 6.263 1.00 0.00 C ATOM 0 H LEU A 6 -10.916 5.460 4.632 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.738 6.663 6.171 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.373 4.263 6.285 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.928 4.067 4.602 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.598 4.705 5.093 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.875 5.082 7.434 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.063 6.306 6.925 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.566 4.960 7.975 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.013 2.777 6.557 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.709 2.671 7.086 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.282 2.331 5.392 1.00 0.00 H new ATOM 79 N LYS A 7 -7.115 7.398 4.381 1.00 0.00 N ATOM 80 CA LYS A 7 -6.304 7.990 3.284 1.00 0.00 C ATOM 81 C LYS A 7 -5.299 6.977 2.723 1.00 0.00 C ATOM 82 O LYS A 7 -4.455 6.456 3.435 1.00 0.00 O ATOM 83 CB LYS A 7 -5.569 9.213 3.824 1.00 0.00 C ATOM 84 CG LYS A 7 -6.567 10.346 4.054 1.00 0.00 C ATOM 85 CD LYS A 7 -6.301 10.993 5.416 1.00 0.00 C ATOM 86 CE LYS A 7 -7.127 12.273 5.544 1.00 0.00 C ATOM 87 NZ LYS A 7 -6.239 13.458 5.375 1.00 0.00 N ATOM 0 H LYS A 7 -6.793 7.613 5.325 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.968 8.279 2.469 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.064 8.964 4.757 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.800 9.529 3.119 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.477 11.090 3.262 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.586 9.961 4.015 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.559 10.300 6.216 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.240 11.220 5.521 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.915 12.286 4.792 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.615 12.307 6.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.801 14.328 5.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.502 13.447 6.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.793 13.427 4.436 1.00 0.00 H new ATOM 101 N PHE A 8 -5.386 6.702 1.439 1.00 0.00 N ATOM 102 CA PHE A 8 -4.452 5.738 0.800 1.00 0.00 C ATOM 103 C PHE A 8 -3.444 6.484 -0.064 1.00 0.00 C ATOM 104 O PHE A 8 -3.690 7.586 -0.511 1.00 0.00 O ATOM 105 CB PHE A 8 -5.233 4.797 -0.120 1.00 0.00 C ATOM 106 CG PHE A 8 -6.207 3.967 0.671 1.00 0.00 C ATOM 107 CD1 PHE A 8 -7.354 4.559 1.188 1.00 0.00 C ATOM 108 CD2 PHE A 8 -5.960 2.607 0.885 1.00 0.00 C ATOM 109 CE1 PHE A 8 -8.263 3.797 1.924 1.00 0.00 C ATOM 110 CE2 PHE A 8 -6.867 1.839 1.625 1.00 0.00 C ATOM 111 CZ PHE A 8 -8.020 2.435 2.146 1.00 0.00 C ATOM 0 H PHE A 8 -6.074 7.113 0.808 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.944 5.180 1.587 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.768 5.377 -0.872 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.541 4.145 -0.653 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.542 5.609 1.020 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.070 2.149 0.479 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.155 4.258 2.323 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.677 0.789 1.793 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.722 1.847 2.718 1.00 0.00 H new ATOM 121 N LEU A 9 -2.320 5.869 -0.319 1.00 0.00 N ATOM 122 CA LEU A 9 -1.289 6.508 -1.190 1.00 0.00 C ATOM 123 C LEU A 9 -0.870 5.504 -2.271 1.00 0.00 C ATOM 124 O LEU A 9 -0.120 4.583 -2.019 1.00 0.00 O ATOM 125 CB LEU A 9 -0.080 6.907 -0.343 1.00 0.00 C ATOM 126 CG LEU A 9 1.063 7.396 -1.238 1.00 0.00 C ATOM 127 CD1 LEU A 9 0.559 8.478 -2.196 1.00 0.00 C ATOM 128 CD2 LEU A 9 2.164 7.983 -0.360 1.00 0.00 C ATOM 0 H LEU A 9 -2.070 4.948 0.040 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.696 7.403 -1.661 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.363 7.692 0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.253 6.055 0.250 1.00 0.00 H new ATOM 0 HG LEU A 9 1.447 6.557 -1.818 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.381 8.817 -2.827 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.234 8.069 -2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.171 9.320 -1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.982 8.334 -0.989 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.764 8.818 0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.533 7.217 0.322 1.00 0.00 H new ATOM 140 N VAL A 10 -1.366 5.665 -3.471 1.00 0.00 N ATOM 141 CA VAL A 10 -1.013 4.709 -4.562 1.00 0.00 C ATOM 142 C VAL A 10 0.209 5.211 -5.337 1.00 0.00 C ATOM 143 O VAL A 10 0.118 6.111 -6.151 1.00 0.00 O ATOM 144 CB VAL A 10 -2.200 4.570 -5.519 1.00 0.00 C ATOM 145 CG1 VAL A 10 -2.439 3.091 -5.828 1.00 0.00 C ATOM 146 CG2 VAL A 10 -3.453 5.162 -4.867 1.00 0.00 C ATOM 0 H VAL A 10 -2.000 6.417 -3.742 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.777 3.741 -4.120 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.983 5.104 -6.444 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.284 2.994 -6.509 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.548 2.668 -6.292 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.655 2.556 -4.903 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.299 5.063 -5.548 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.668 4.628 -3.941 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.285 6.216 -4.647 1.00 0.00 H new ATOM 156 N VAL A 11 1.352 4.627 -5.097 1.00 0.00 N ATOM 157 CA VAL A 11 2.577 5.049 -5.814 1.00 0.00 C ATOM 158 C VAL A 11 2.802 4.127 -7.014 1.00 0.00 C ATOM 159 O VAL A 11 3.058 2.951 -6.857 1.00 0.00 O ATOM 160 CB VAL A 11 3.773 4.962 -4.862 1.00 0.00 C ATOM 161 CG1 VAL A 11 5.040 5.458 -5.565 1.00 0.00 C ATOM 162 CG2 VAL A 11 3.493 5.834 -3.640 1.00 0.00 C ATOM 0 H VAL A 11 1.485 3.869 -4.428 1.00 0.00 H new ATOM 0 HA VAL A 11 2.467 6.076 -6.164 1.00 0.00 H new ATOM 0 HB VAL A 11 3.922 3.926 -4.557 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.885 5.392 -4.880 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.235 4.841 -6.442 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.903 6.494 -5.874 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.338 5.781 -2.954 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.347 6.867 -3.956 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.594 5.478 -3.137 1.00 0.00 H new ATOM 172 N ASP A 12 2.699 4.645 -8.208 1.00 0.00 N ATOM 173 CA ASP A 12 2.898 3.787 -9.411 1.00 0.00 C ATOM 174 C ASP A 12 2.930 4.672 -10.673 1.00 0.00 C ATOM 175 O ASP A 12 2.526 5.817 -10.644 1.00 0.00 O ATOM 176 CB ASP A 12 1.743 2.768 -9.494 1.00 0.00 C ATOM 177 CG ASP A 12 2.100 1.665 -10.492 1.00 0.00 C ATOM 178 OD1 ASP A 12 3.274 1.345 -10.594 1.00 0.00 O ATOM 179 OD2 ASP A 12 1.196 1.160 -11.135 1.00 0.00 O ATOM 0 H ASP A 12 2.486 5.623 -8.402 1.00 0.00 H new ATOM 0 HA ASP A 12 3.844 3.250 -9.339 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.555 2.336 -8.511 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.825 3.268 -9.803 1.00 0.00 H new ATOM 184 N ASP A 13 3.411 4.152 -11.781 1.00 0.00 N ATOM 185 CA ASP A 13 3.466 4.967 -13.043 1.00 0.00 C ATOM 186 C ASP A 13 2.249 4.620 -13.908 1.00 0.00 C ATOM 187 O ASP A 13 1.428 5.465 -14.200 1.00 0.00 O ATOM 188 CB ASP A 13 4.753 4.645 -13.805 1.00 0.00 C ATOM 189 CG ASP A 13 5.956 5.133 -12.996 1.00 0.00 C ATOM 190 OD1 ASP A 13 6.258 4.516 -11.988 1.00 0.00 O ATOM 191 OD2 ASP A 13 6.555 6.118 -13.397 1.00 0.00 O ATOM 0 H ASP A 13 3.767 3.200 -11.867 1.00 0.00 H new ATOM 0 HA ASP A 13 3.454 6.030 -12.801 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.828 3.571 -13.978 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.740 5.125 -14.784 1.00 0.00 H new ATOM 196 N PHE A 14 2.118 3.357 -14.257 1.00 0.00 N ATOM 197 CA PHE A 14 0.944 2.848 -15.058 1.00 0.00 C ATOM 198 C PHE A 14 0.256 3.954 -15.878 1.00 0.00 C ATOM 199 O PHE A 14 0.870 4.876 -16.379 1.00 0.00 O ATOM 200 CB PHE A 14 -0.091 2.249 -14.080 1.00 0.00 C ATOM 201 CG PHE A 14 -0.660 3.361 -13.227 1.00 0.00 C ATOM 202 CD1 PHE A 14 0.117 3.889 -12.212 1.00 0.00 C ATOM 203 CD2 PHE A 14 -1.932 3.888 -13.467 1.00 0.00 C ATOM 204 CE1 PHE A 14 -0.362 4.943 -11.424 1.00 0.00 C ATOM 205 CE2 PHE A 14 -2.414 4.946 -12.695 1.00 0.00 C ATOM 206 CZ PHE A 14 -1.628 5.475 -11.671 1.00 0.00 C ATOM 0 H PHE A 14 2.796 2.635 -14.013 1.00 0.00 H new ATOM 0 HA PHE A 14 1.322 2.105 -15.760 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.888 1.752 -14.633 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.379 1.494 -13.450 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.101 3.485 -12.026 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.545 3.474 -14.254 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.247 5.343 -10.627 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.394 5.355 -12.890 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.998 6.294 -11.072 1.00 0.00 H new ATOM 216 N SER A 15 -1.033 3.825 -16.003 1.00 0.00 N ATOM 217 CA SER A 15 -1.879 4.789 -16.757 1.00 0.00 C ATOM 218 C SER A 15 -3.308 4.253 -16.660 1.00 0.00 C ATOM 219 O SER A 15 -4.272 4.875 -17.061 1.00 0.00 O ATOM 220 CB SER A 15 -1.436 4.846 -18.219 1.00 0.00 C ATOM 221 OG SER A 15 -0.386 3.912 -18.430 1.00 0.00 O ATOM 0 H SER A 15 -1.558 3.053 -15.593 1.00 0.00 H new ATOM 0 HA SER A 15 -1.799 5.798 -16.352 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.277 4.619 -18.874 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.099 5.852 -18.470 1.00 0.00 H new ATOM 0 HG SER A 15 -0.101 3.946 -19.367 1.00 0.00 H new ATOM 227 N THR A 16 -3.411 3.073 -16.109 1.00 0.00 N ATOM 228 CA THR A 16 -4.711 2.381 -15.920 1.00 0.00 C ATOM 229 C THR A 16 -4.827 1.866 -14.474 1.00 0.00 C ATOM 230 O THR A 16 -5.904 1.805 -13.917 1.00 0.00 O ATOM 231 CB THR A 16 -4.707 1.175 -16.846 1.00 0.00 C ATOM 232 OG1 THR A 16 -5.402 0.105 -16.221 1.00 0.00 O ATOM 233 CG2 THR A 16 -3.248 0.771 -17.088 1.00 0.00 C ATOM 0 H THR A 16 -2.609 2.542 -15.769 1.00 0.00 H new ATOM 0 HA THR A 16 -5.537 3.061 -16.129 1.00 0.00 H new ATOM 0 HB THR A 16 -5.195 1.412 -17.791 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.404 -0.675 -16.815 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.215 -0.094 -17.751 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.712 1.601 -17.548 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.778 0.518 -16.138 1.00 0.00 H new ATOM 241 N MET A 17 -3.724 1.459 -13.888 1.00 0.00 N ATOM 242 CA MET A 17 -3.743 0.903 -12.495 1.00 0.00 C ATOM 243 C MET A 17 -4.749 1.650 -11.617 1.00 0.00 C ATOM 244 O MET A 17 -5.833 1.159 -11.376 1.00 0.00 O ATOM 245 CB MET A 17 -2.346 1.015 -11.873 1.00 0.00 C ATOM 246 CG MET A 17 -2.257 0.145 -10.615 1.00 0.00 C ATOM 247 SD MET A 17 -0.991 -1.127 -10.851 1.00 0.00 S ATOM 248 CE MET A 17 -1.643 -2.320 -9.655 1.00 0.00 C ATOM 0 H MET A 17 -2.801 1.489 -14.321 1.00 0.00 H new ATOM 0 HA MET A 17 -4.042 -0.144 -12.552 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.592 0.702 -12.595 1.00 0.00 H new ATOM 0 HB3 MET A 17 -2.134 2.054 -11.621 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.012 0.761 -9.750 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.222 -0.320 -10.412 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.003 -3.202 -9.635 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.666 -1.866 -8.664 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.653 -2.611 -9.945 1.00 0.00 H new ATOM 258 N ARG A 18 -4.390 2.814 -11.122 1.00 0.00 N ATOM 259 CA ARG A 18 -5.327 3.585 -10.238 1.00 0.00 C ATOM 260 C ARG A 18 -6.763 3.398 -10.695 1.00 0.00 C ATOM 261 O ARG A 18 -7.680 3.449 -9.903 1.00 0.00 O ATOM 262 CB ARG A 18 -4.984 5.080 -10.274 1.00 0.00 C ATOM 263 CG ARG A 18 -5.951 5.870 -11.175 1.00 0.00 C ATOM 264 CD ARG A 18 -5.412 7.289 -11.369 1.00 0.00 C ATOM 265 NE ARG A 18 -6.397 8.087 -12.153 1.00 0.00 N ATOM 266 CZ ARG A 18 -6.132 9.325 -12.472 1.00 0.00 C ATOM 267 NH1 ARG A 18 -5.059 9.607 -13.161 1.00 0.00 N ATOM 268 NH2 ARG A 18 -6.939 10.282 -12.104 1.00 0.00 N ATOM 0 H ARG A 18 -3.490 3.263 -11.292 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.218 3.209 -9.221 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.018 5.485 -9.262 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.964 5.210 -10.635 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.056 5.373 -12.139 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.943 5.903 -10.724 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.234 7.758 -10.401 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.455 7.259 -11.889 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.280 7.665 -12.441 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.428 8.860 -13.450 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.852 10.574 -13.410 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.778 10.063 -11.567 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.731 11.249 -12.354 1.00 0.00 H new ATOM 282 N ARG A 19 -6.978 3.213 -11.965 1.00 0.00 N ATOM 283 CA ARG A 19 -8.369 3.067 -12.437 1.00 0.00 C ATOM 284 C ARG A 19 -9.023 1.859 -11.763 1.00 0.00 C ATOM 285 O ARG A 19 -10.114 1.945 -11.234 1.00 0.00 O ATOM 286 CB ARG A 19 -8.389 2.885 -13.957 1.00 0.00 C ATOM 287 CG ARG A 19 -9.745 3.330 -14.510 1.00 0.00 C ATOM 288 CD ARG A 19 -9.926 2.780 -15.928 1.00 0.00 C ATOM 289 NE ARG A 19 -10.834 1.599 -15.893 1.00 0.00 N ATOM 290 CZ ARG A 19 -10.579 0.554 -16.633 1.00 0.00 C ATOM 291 NH1 ARG A 19 -9.782 0.659 -17.661 1.00 0.00 N ATOM 292 NH2 ARG A 19 -11.122 -0.598 -16.344 1.00 0.00 N ATOM 0 H ARG A 19 -6.257 3.158 -12.685 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.927 3.967 -12.178 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.590 3.468 -14.414 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.206 1.841 -14.211 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.547 2.972 -13.865 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.806 4.418 -14.520 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.340 3.551 -16.578 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.960 2.497 -16.345 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.656 1.607 -15.290 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.357 1.558 -17.887 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.584 -0.158 -18.238 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.745 -0.681 -15.541 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -10.923 -1.415 -16.922 1.00 0.00 H new ATOM 306 N ILE A 20 -8.369 0.730 -11.781 1.00 0.00 N ATOM 307 CA ILE A 20 -8.953 -0.485 -11.146 1.00 0.00 C ATOM 308 C ILE A 20 -9.134 -0.247 -9.647 1.00 0.00 C ATOM 309 O ILE A 20 -10.203 -0.430 -9.101 1.00 0.00 O ATOM 310 CB ILE A 20 -8.005 -1.675 -11.374 1.00 0.00 C ATOM 311 CG1 ILE A 20 -8.467 -2.455 -12.607 1.00 0.00 C ATOM 312 CG2 ILE A 20 -8.001 -2.612 -10.156 1.00 0.00 C ATOM 313 CD1 ILE A 20 -8.492 -1.524 -13.819 1.00 0.00 C ATOM 0 H ILE A 20 -7.453 0.596 -12.209 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.925 -0.701 -11.590 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.995 -1.293 -11.523 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.796 -3.293 -12.793 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.459 -2.873 -12.436 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.324 -3.446 -10.341 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.669 -2.062 -9.275 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.008 -2.993 -9.987 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.821 -2.079 -14.697 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.181 -0.701 -13.631 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.492 -1.128 -13.994 1.00 0.00 H new ATOM 325 N VAL A 21 -8.086 0.131 -8.974 1.00 0.00 N ATOM 326 CA VAL A 21 -8.183 0.348 -7.505 1.00 0.00 C ATOM 327 C VAL A 21 -9.066 1.561 -7.190 1.00 0.00 C ATOM 328 O VAL A 21 -9.549 1.708 -6.085 1.00 0.00 O ATOM 329 CB VAL A 21 -6.784 0.553 -6.921 1.00 0.00 C ATOM 330 CG1 VAL A 21 -6.567 -0.446 -5.785 1.00 0.00 C ATOM 331 CG2 VAL A 21 -5.729 0.309 -8.003 1.00 0.00 C ATOM 0 H VAL A 21 -7.165 0.300 -9.378 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.639 -0.533 -7.053 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.694 1.574 -6.549 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.572 -0.307 -5.363 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.316 -0.284 -5.010 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.658 -1.461 -6.171 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.735 0.456 -7.581 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.818 -0.712 -8.374 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.882 1.009 -8.825 1.00 0.00 H new ATOM 341 N ARG A 22 -9.295 2.429 -8.139 1.00 0.00 N ATOM 342 CA ARG A 22 -10.160 3.612 -7.858 1.00 0.00 C ATOM 343 C ARG A 22 -11.566 3.131 -7.500 1.00 0.00 C ATOM 344 O ARG A 22 -12.107 3.460 -6.463 1.00 0.00 O ATOM 345 CB ARG A 22 -10.248 4.497 -9.102 1.00 0.00 C ATOM 346 CG ARG A 22 -9.333 5.715 -8.942 1.00 0.00 C ATOM 347 CD ARG A 22 -10.016 6.754 -8.050 1.00 0.00 C ATOM 348 NE ARG A 22 -8.993 7.432 -7.205 1.00 0.00 N ATOM 349 CZ ARG A 22 -8.165 8.286 -7.740 1.00 0.00 C ATOM 350 NH1 ARG A 22 -8.514 9.537 -7.876 1.00 0.00 N ATOM 351 NH2 ARG A 22 -6.988 7.890 -8.140 1.00 0.00 N ATOM 0 H ARG A 22 -8.925 2.372 -9.088 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.732 4.181 -7.032 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.959 3.927 -9.985 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.277 4.822 -9.255 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.382 5.413 -8.504 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.112 6.147 -9.918 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -10.541 7.487 -8.663 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -10.763 6.273 -7.419 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.940 7.228 -6.207 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.434 9.847 -7.564 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.866 10.205 -8.294 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.716 6.913 -8.034 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.340 8.558 -8.558 1.00 0.00 H new ATOM 365 N ASN A 23 -12.156 2.354 -8.361 1.00 0.00 N ATOM 366 CA ASN A 23 -13.514 1.834 -8.117 1.00 0.00 C ATOM 367 C ASN A 23 -13.483 0.854 -6.956 1.00 0.00 C ATOM 368 O ASN A 23 -14.227 0.969 -6.006 1.00 0.00 O ATOM 369 CB ASN A 23 -13.926 1.086 -9.368 1.00 0.00 C ATOM 370 CG ASN A 23 -15.316 1.536 -9.820 1.00 0.00 C ATOM 371 OD1 ASN A 23 -15.467 2.595 -10.395 1.00 0.00 O ATOM 372 ND2 ASN A 23 -16.346 0.769 -9.584 1.00 0.00 N ATOM 0 H ASN A 23 -11.739 2.054 -9.242 1.00 0.00 H new ATOM 0 HA ASN A 23 -14.204 2.644 -7.883 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -13.202 1.265 -10.163 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.928 0.013 -9.175 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -17.277 1.059 -9.883 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -16.219 -0.121 -9.101 1.00 0.00 H new ATOM 379 N LEU A 24 -12.624 -0.117 -7.050 1.00 0.00 N ATOM 380 CA LEU A 24 -12.510 -1.144 -5.978 1.00 0.00 C ATOM 381 C LEU A 24 -12.582 -0.465 -4.605 1.00 0.00 C ATOM 382 O LEU A 24 -13.424 -0.786 -3.790 1.00 0.00 O ATOM 383 CB LEU A 24 -11.165 -1.851 -6.139 1.00 0.00 C ATOM 384 CG LEU A 24 -11.155 -3.209 -5.396 1.00 0.00 C ATOM 385 CD1 LEU A 24 -11.014 -4.354 -6.408 1.00 0.00 C ATOM 386 CD2 LEU A 24 -9.985 -3.289 -4.400 1.00 0.00 C ATOM 0 H LEU A 24 -11.986 -0.246 -7.835 1.00 0.00 H new ATOM 0 HA LEU A 24 -13.324 -1.865 -6.053 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.959 -2.011 -7.197 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.368 -1.216 -5.752 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.094 -3.297 -4.850 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.007 -5.308 -5.880 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.853 -4.330 -7.104 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.081 -4.239 -6.960 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.004 -4.254 -3.893 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.042 -3.179 -4.936 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.079 -2.491 -3.664 1.00 0.00 H new ATOM 398 N LEU A 25 -11.718 0.482 -4.346 1.00 0.00 N ATOM 399 CA LEU A 25 -11.758 1.184 -3.030 1.00 0.00 C ATOM 400 C LEU A 25 -13.132 1.833 -2.864 1.00 0.00 C ATOM 401 O LEU A 25 -13.813 1.625 -1.880 1.00 0.00 O ATOM 402 CB LEU A 25 -10.674 2.268 -2.983 1.00 0.00 C ATOM 403 CG LEU A 25 -9.331 1.651 -2.564 1.00 0.00 C ATOM 404 CD1 LEU A 25 -8.223 2.693 -2.726 1.00 0.00 C ATOM 405 CD2 LEU A 25 -9.383 1.196 -1.099 1.00 0.00 C ATOM 0 H LEU A 25 -10.990 0.798 -4.986 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.579 0.469 -2.227 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.577 2.740 -3.961 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.960 3.049 -2.279 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.129 0.787 -3.197 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.268 2.258 -2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.170 3.009 -3.768 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.440 3.556 -2.096 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.424 0.761 -0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.594 2.053 -0.459 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.169 0.450 -0.977 1.00 0.00 H new ATOM 417 N LYS A 26 -13.551 2.612 -3.826 1.00 0.00 N ATOM 418 CA LYS A 26 -14.882 3.260 -3.725 1.00 0.00 C ATOM 419 C LYS A 26 -15.919 2.194 -3.372 1.00 0.00 C ATOM 420 O LYS A 26 -16.884 2.454 -2.681 1.00 0.00 O ATOM 421 CB LYS A 26 -15.214 3.947 -5.065 1.00 0.00 C ATOM 422 CG LYS A 26 -16.433 3.300 -5.745 1.00 0.00 C ATOM 423 CD LYS A 26 -16.682 3.982 -7.095 1.00 0.00 C ATOM 424 CE LYS A 26 -17.987 4.780 -7.031 1.00 0.00 C ATOM 425 NZ LYS A 26 -19.138 3.840 -6.927 1.00 0.00 N ATOM 0 H LYS A 26 -13.027 2.825 -4.675 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.886 4.021 -2.945 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -15.411 5.005 -4.893 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -14.352 3.887 -5.729 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -16.259 2.234 -5.890 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -17.313 3.396 -5.108 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -15.851 4.643 -7.339 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -16.738 3.235 -7.887 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -17.973 5.452 -6.173 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -18.090 5.401 -7.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -19.991 4.292 -7.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -18.930 2.975 -7.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -19.298 3.596 -5.929 1.00 0.00 H new ATOM 439 N GLU A 27 -15.721 0.991 -3.838 1.00 0.00 N ATOM 440 CA GLU A 27 -16.680 -0.096 -3.532 1.00 0.00 C ATOM 441 C GLU A 27 -16.563 -0.457 -2.053 1.00 0.00 C ATOM 442 O GLU A 27 -17.540 -0.746 -1.392 1.00 0.00 O ATOM 443 CB GLU A 27 -16.354 -1.323 -4.386 1.00 0.00 C ATOM 444 CG GLU A 27 -17.645 -2.072 -4.721 1.00 0.00 C ATOM 445 CD GLU A 27 -18.290 -1.448 -5.959 1.00 0.00 C ATOM 446 OE1 GLU A 27 -18.768 -0.331 -5.856 1.00 0.00 O ATOM 447 OE2 GLU A 27 -18.295 -2.098 -6.992 1.00 0.00 O ATOM 0 H GLU A 27 -14.930 0.718 -4.421 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.695 0.234 -3.753 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.851 -1.017 -5.303 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.669 -1.980 -3.850 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.430 -3.125 -4.901 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -18.334 -2.027 -3.877 1.00 0.00 H new ATOM 454 N LEU A 28 -15.369 -0.434 -1.530 1.00 0.00 N ATOM 455 CA LEU A 28 -15.181 -0.769 -0.094 1.00 0.00 C ATOM 456 C LEU A 28 -15.644 0.411 0.760 1.00 0.00 C ATOM 457 O LEU A 28 -15.783 0.300 1.962 1.00 0.00 O ATOM 458 CB LEU A 28 -13.701 -1.050 0.181 1.00 0.00 C ATOM 459 CG LEU A 28 -13.504 -2.549 0.419 1.00 0.00 C ATOM 460 CD1 LEU A 28 -13.934 -3.325 -0.827 1.00 0.00 C ATOM 461 CD2 LEU A 28 -12.028 -2.830 0.709 1.00 0.00 C ATOM 0 H LEU A 28 -14.516 -0.197 -2.036 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.766 -1.655 0.154 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.094 -0.722 -0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.368 -0.485 1.052 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.109 -2.863 1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.794 -4.393 -0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.985 -3.126 -1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.330 -3.010 -1.678 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.887 -3.897 0.879 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -11.424 -2.515 -0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.720 -2.278 1.597 1.00 0.00 H new ATOM 473 N GLY A 29 -15.892 1.537 0.144 1.00 0.00 N ATOM 474 CA GLY A 29 -16.354 2.717 0.908 1.00 0.00 C ATOM 475 C GLY A 29 -15.166 3.614 1.258 1.00 0.00 C ATOM 476 O GLY A 29 -14.754 3.692 2.391 1.00 0.00 O ATOM 0 H GLY A 29 -15.792 1.684 -0.860 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.082 3.277 0.322 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.858 2.395 1.819 1.00 0.00 H new ATOM 480 N PHE A 30 -14.613 4.297 0.295 1.00 0.00 N ATOM 481 CA PHE A 30 -13.459 5.195 0.598 1.00 0.00 C ATOM 482 C PHE A 30 -13.460 6.375 -0.381 1.00 0.00 C ATOM 483 O PHE A 30 -13.837 6.239 -1.527 1.00 0.00 O ATOM 484 CB PHE A 30 -12.142 4.421 0.454 1.00 0.00 C ATOM 485 CG PHE A 30 -11.920 3.561 1.671 1.00 0.00 C ATOM 486 CD1 PHE A 30 -11.645 4.157 2.904 1.00 0.00 C ATOM 487 CD2 PHE A 30 -11.981 2.165 1.564 1.00 0.00 C ATOM 488 CE1 PHE A 30 -11.430 3.360 4.033 1.00 0.00 C ATOM 489 CE2 PHE A 30 -11.767 1.368 2.694 1.00 0.00 C ATOM 490 CZ PHE A 30 -11.491 1.965 3.929 1.00 0.00 C ATOM 0 H PHE A 30 -14.906 4.275 -0.682 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.552 5.562 1.620 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -12.171 3.800 -0.441 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.312 5.117 0.333 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.598 5.233 2.985 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.193 1.705 0.610 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.217 3.821 4.986 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.815 0.292 2.613 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.325 1.350 4.801 1.00 0.00 H new ATOM 500 N ASN A 31 -13.041 7.533 0.060 1.00 0.00 N ATOM 501 CA ASN A 31 -13.023 8.713 -0.855 1.00 0.00 C ATOM 502 C ASN A 31 -11.894 9.672 -0.455 1.00 0.00 C ATOM 503 O ASN A 31 -12.134 10.808 -0.094 1.00 0.00 O ATOM 504 CB ASN A 31 -14.365 9.443 -0.767 1.00 0.00 C ATOM 505 CG ASN A 31 -14.569 10.287 -2.026 1.00 0.00 C ATOM 506 OD1 ASN A 31 -14.563 11.500 -1.967 1.00 0.00 O ATOM 507 ND2 ASN A 31 -14.748 9.691 -3.174 1.00 0.00 N ATOM 0 H ASN A 31 -12.712 7.712 1.009 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.855 8.371 -1.876 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.177 8.723 -0.663 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.388 10.079 0.118 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -14.883 10.244 -4.020 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -14.753 8.672 -3.224 1.00 0.00 H new ATOM 514 N ASN A 32 -10.667 9.229 -0.521 1.00 0.00 N ATOM 515 CA ASN A 32 -9.523 10.120 -0.150 1.00 0.00 C ATOM 516 C ASN A 32 -8.208 9.387 -0.425 1.00 0.00 C ATOM 517 O ASN A 32 -7.787 8.543 0.338 1.00 0.00 O ATOM 518 CB ASN A 32 -9.606 10.482 1.338 1.00 0.00 C ATOM 519 CG ASN A 32 -9.178 11.937 1.535 1.00 0.00 C ATOM 520 OD1 ASN A 32 -8.332 12.228 2.357 1.00 0.00 O ATOM 521 ND2 ASN A 32 -9.729 12.873 0.810 1.00 0.00 N ATOM 0 H ASN A 32 -10.405 8.288 -0.816 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.568 11.034 -0.742 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.624 10.339 1.702 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.964 9.821 1.920 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -9.449 13.846 0.934 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -10.439 12.631 0.119 1.00 0.00 H new ATOM 528 N VAL A 33 -7.559 9.685 -1.518 1.00 0.00 N ATOM 529 CA VAL A 33 -6.281 8.984 -1.832 1.00 0.00 C ATOM 530 C VAL A 33 -5.360 9.902 -2.645 1.00 0.00 C ATOM 531 O VAL A 33 -5.825 10.764 -3.366 1.00 0.00 O ATOM 532 CB VAL A 33 -6.604 7.732 -2.647 1.00 0.00 C ATOM 533 CG1 VAL A 33 -7.649 8.076 -3.706 1.00 0.00 C ATOM 534 CG2 VAL A 33 -5.340 7.213 -3.332 1.00 0.00 C ATOM 0 H VAL A 33 -7.856 10.379 -2.204 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.773 8.713 -0.906 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.991 6.961 -1.981 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.882 7.186 -4.290 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.555 8.438 -3.219 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.257 8.850 -4.366 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.580 6.321 -3.910 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.945 7.981 -3.997 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.593 6.966 -2.578 1.00 0.00 H new ATOM 544 N GLU A 34 -4.061 9.708 -2.554 1.00 0.00 N ATOM 545 CA GLU A 34 -3.112 10.548 -3.342 1.00 0.00 C ATOM 546 C GLU A 34 -2.300 9.626 -4.246 1.00 0.00 C ATOM 547 O GLU A 34 -2.579 8.449 -4.332 1.00 0.00 O ATOM 548 CB GLU A 34 -2.182 11.310 -2.400 1.00 0.00 C ATOM 549 CG GLU A 34 -2.904 12.559 -1.883 1.00 0.00 C ATOM 550 CD GLU A 34 -2.527 13.762 -2.750 1.00 0.00 C ATOM 551 OE1 GLU A 34 -2.839 13.737 -3.930 1.00 0.00 O ATOM 552 OE2 GLU A 34 -1.934 14.687 -2.220 1.00 0.00 O ATOM 0 H GLU A 34 -3.622 9.001 -1.965 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.661 11.274 -3.942 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.888 10.673 -1.566 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.268 11.593 -2.922 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.983 12.404 -1.906 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.631 12.746 -0.844 1.00 0.00 H new ATOM 559 N GLU A 35 -1.309 10.139 -4.921 1.00 0.00 N ATOM 560 CA GLU A 35 -0.505 9.267 -5.827 1.00 0.00 C ATOM 561 C GLU A 35 0.954 9.725 -5.860 1.00 0.00 C ATOM 562 O GLU A 35 1.281 10.851 -5.538 1.00 0.00 O ATOM 563 CB GLU A 35 -1.070 9.345 -7.255 1.00 0.00 C ATOM 564 CG GLU A 35 -2.439 8.654 -7.341 1.00 0.00 C ATOM 565 CD GLU A 35 -2.572 7.958 -8.695 1.00 0.00 C ATOM 566 OE1 GLU A 35 -2.111 6.835 -8.806 1.00 0.00 O ATOM 567 OE2 GLU A 35 -3.136 8.558 -9.596 1.00 0.00 O ATOM 0 H GLU A 35 -1.021 11.117 -4.886 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.557 8.245 -5.452 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.165 10.388 -7.556 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.376 8.874 -7.951 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.544 7.928 -6.535 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.237 9.386 -7.216 1.00 0.00 H new ATOM 574 N ALA A 36 1.825 8.847 -6.271 1.00 0.00 N ATOM 575 CA ALA A 36 3.271 9.187 -6.367 1.00 0.00 C ATOM 576 C ALA A 36 3.878 8.355 -7.494 1.00 0.00 C ATOM 577 O ALA A 36 3.166 7.812 -8.316 1.00 0.00 O ATOM 578 CB ALA A 36 3.965 8.876 -5.041 1.00 0.00 C ATOM 0 H ALA A 36 1.592 7.894 -6.549 1.00 0.00 H new ATOM 0 HA ALA A 36 3.401 10.249 -6.578 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.023 9.127 -5.117 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.509 9.464 -4.245 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.859 7.815 -4.815 1.00 0.00 H new ATOM 584 N GLU A 37 5.176 8.254 -7.554 1.00 0.00 N ATOM 585 CA GLU A 37 5.805 7.458 -8.652 1.00 0.00 C ATOM 586 C GLU A 37 7.027 6.685 -8.140 1.00 0.00 C ATOM 587 O GLU A 37 7.617 5.909 -8.864 1.00 0.00 O ATOM 588 CB GLU A 37 6.239 8.404 -9.771 1.00 0.00 C ATOM 589 CG GLU A 37 5.072 9.321 -10.142 1.00 0.00 C ATOM 590 CD GLU A 37 5.393 10.058 -11.443 1.00 0.00 C ATOM 591 OE1 GLU A 37 6.550 10.058 -11.831 1.00 0.00 O ATOM 592 OE2 GLU A 37 4.477 10.611 -12.029 1.00 0.00 O ATOM 0 H GLU A 37 5.827 8.684 -6.897 1.00 0.00 H new ATOM 0 HA GLU A 37 5.074 6.740 -9.024 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.094 8.998 -9.449 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.558 7.832 -10.642 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.160 8.736 -10.259 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.891 10.038 -9.341 1.00 0.00 H new ATOM 599 N ASP A 38 7.416 6.882 -6.909 1.00 0.00 N ATOM 600 CA ASP A 38 8.602 6.140 -6.385 1.00 0.00 C ATOM 601 C ASP A 38 8.786 6.444 -4.896 1.00 0.00 C ATOM 602 O ASP A 38 7.943 7.050 -4.268 1.00 0.00 O ATOM 603 CB ASP A 38 9.866 6.551 -7.157 1.00 0.00 C ATOM 604 CG ASP A 38 9.617 7.845 -7.934 1.00 0.00 C ATOM 605 OD1 ASP A 38 8.958 8.717 -7.397 1.00 0.00 O ATOM 606 OD2 ASP A 38 10.087 7.939 -9.056 1.00 0.00 O ATOM 0 H ASP A 38 6.970 7.518 -6.248 1.00 0.00 H new ATOM 0 HA ASP A 38 8.437 5.071 -6.518 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.695 6.689 -6.463 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.155 5.756 -7.844 1.00 0.00 H new ATOM 611 N GLY A 39 9.882 6.017 -4.325 1.00 0.00 N ATOM 612 CA GLY A 39 10.117 6.272 -2.876 1.00 0.00 C ATOM 613 C GLY A 39 10.388 7.757 -2.645 1.00 0.00 C ATOM 614 O GLY A 39 9.855 8.356 -1.734 1.00 0.00 O ATOM 0 H GLY A 39 10.623 5.503 -4.801 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.248 5.958 -2.297 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.963 5.681 -2.527 1.00 0.00 H new ATOM 618 N VAL A 40 11.209 8.360 -3.457 1.00 0.00 N ATOM 619 CA VAL A 40 11.497 9.808 -3.270 1.00 0.00 C ATOM 620 C VAL A 40 10.177 10.577 -3.264 1.00 0.00 C ATOM 621 O VAL A 40 10.033 11.588 -2.606 1.00 0.00 O ATOM 622 CB VAL A 40 12.379 10.306 -4.416 1.00 0.00 C ATOM 623 CG1 VAL A 40 11.584 10.284 -5.723 1.00 0.00 C ATOM 624 CG2 VAL A 40 12.834 11.739 -4.124 1.00 0.00 C ATOM 0 H VAL A 40 11.691 7.916 -4.238 1.00 0.00 H new ATOM 0 HA VAL A 40 12.018 9.964 -2.326 1.00 0.00 H new ATOM 0 HB VAL A 40 13.250 9.657 -4.509 1.00 0.00 H new ATOM 0 HG11 VAL A 40 12.214 10.639 -6.538 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.258 9.265 -5.934 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.712 10.932 -5.630 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.463 12.095 -4.940 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.962 12.386 -4.030 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.402 11.758 -3.194 1.00 0.00 H new ATOM 634 N ASP A 41 9.209 10.096 -3.995 1.00 0.00 N ATOM 635 CA ASP A 41 7.893 10.786 -4.041 1.00 0.00 C ATOM 636 C ASP A 41 7.042 10.339 -2.852 1.00 0.00 C ATOM 637 O ASP A 41 6.523 11.151 -2.112 1.00 0.00 O ATOM 638 CB ASP A 41 7.183 10.421 -5.342 1.00 0.00 C ATOM 639 CG ASP A 41 6.133 11.482 -5.672 1.00 0.00 C ATOM 640 OD1 ASP A 41 5.717 12.180 -4.762 1.00 0.00 O ATOM 641 OD2 ASP A 41 5.760 11.578 -6.830 1.00 0.00 O ATOM 0 H ASP A 41 9.275 9.252 -4.564 1.00 0.00 H new ATOM 0 HA ASP A 41 8.041 11.865 -3.994 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.907 10.347 -6.154 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.709 9.444 -5.247 1.00 0.00 H new ATOM 646 N ALA A 42 6.893 9.055 -2.656 1.00 0.00 N ATOM 647 CA ALA A 42 6.076 8.581 -1.508 1.00 0.00 C ATOM 648 C ALA A 42 6.614 9.210 -0.225 1.00 0.00 C ATOM 649 O ALA A 42 5.871 9.535 0.676 1.00 0.00 O ATOM 650 CB ALA A 42 6.168 7.058 -1.410 1.00 0.00 C ATOM 0 H ALA A 42 7.299 8.322 -3.238 1.00 0.00 H new ATOM 0 HA ALA A 42 5.034 8.868 -1.651 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.569 6.711 -0.568 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.794 6.611 -2.331 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.207 6.765 -1.261 1.00 0.00 H new ATOM 656 N LEU A 43 7.905 9.388 -0.140 1.00 0.00 N ATOM 657 CA LEU A 43 8.498 9.999 1.081 1.00 0.00 C ATOM 658 C LEU A 43 8.077 11.468 1.167 1.00 0.00 C ATOM 659 O LEU A 43 7.495 11.902 2.141 1.00 0.00 O ATOM 660 CB LEU A 43 10.027 9.907 1.010 1.00 0.00 C ATOM 661 CG LEU A 43 10.651 10.465 2.298 1.00 0.00 C ATOM 662 CD1 LEU A 43 10.214 9.625 3.502 1.00 0.00 C ATOM 663 CD2 LEU A 43 12.176 10.422 2.181 1.00 0.00 C ATOM 0 H LEU A 43 8.575 9.135 -0.866 1.00 0.00 H new ATOM 0 HA LEU A 43 8.145 9.466 1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.330 8.869 0.870 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.393 10.465 0.148 1.00 0.00 H new ATOM 0 HG LEU A 43 10.317 11.493 2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.662 10.029 4.410 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.128 9.653 3.590 1.00 0.00 H new ATOM 0 HD13 LEU A 43 10.541 8.594 3.364 1.00 0.00 H new ATOM 0 HD21 LEU A 43 12.622 10.817 3.094 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.501 9.392 2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.493 11.026 1.331 1.00 0.00 H new ATOM 675 N ASN A 44 8.371 12.237 0.154 1.00 0.00 N ATOM 676 CA ASN A 44 7.993 13.678 0.180 1.00 0.00 C ATOM 677 C ASN A 44 6.479 13.813 0.355 1.00 0.00 C ATOM 678 O ASN A 44 5.993 14.791 0.888 1.00 0.00 O ATOM 679 CB ASN A 44 8.412 14.339 -1.135 1.00 0.00 C ATOM 680 CG ASN A 44 9.675 15.171 -0.910 1.00 0.00 C ATOM 681 OD1 ASN A 44 9.623 16.225 -0.309 1.00 0.00 O ATOM 682 ND2 ASN A 44 10.818 14.738 -1.369 1.00 0.00 N ATOM 0 H ASN A 44 8.856 11.930 -0.689 1.00 0.00 H new ATOM 0 HA ASN A 44 8.498 14.167 1.013 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.596 13.578 -1.894 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.608 14.973 -1.507 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.666 15.285 -1.223 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.862 13.853 -1.874 1.00 0.00 H new ATOM 689 N LYS A 45 5.727 12.845 -0.092 1.00 0.00 N ATOM 690 CA LYS A 45 4.247 12.932 0.046 1.00 0.00 C ATOM 691 C LYS A 45 3.804 12.308 1.373 1.00 0.00 C ATOM 692 O LYS A 45 2.761 12.637 1.902 1.00 0.00 O ATOM 693 CB LYS A 45 3.580 12.194 -1.115 1.00 0.00 C ATOM 694 CG LYS A 45 3.802 12.978 -2.413 1.00 0.00 C ATOM 695 CD LYS A 45 2.656 13.978 -2.627 1.00 0.00 C ATOM 696 CE LYS A 45 1.344 13.240 -2.924 1.00 0.00 C ATOM 697 NZ LYS A 45 0.580 13.986 -3.964 1.00 0.00 N ATOM 0 H LYS A 45 6.073 12.000 -0.546 1.00 0.00 H new ATOM 0 HA LYS A 45 3.950 13.981 0.030 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.995 11.190 -1.208 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.513 12.081 -0.923 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.754 13.507 -2.369 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.858 12.291 -3.257 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.537 14.599 -1.739 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.899 14.646 -3.453 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.554 12.227 -3.268 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.750 13.151 -2.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.277 13.452 -4.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.310 14.920 -3.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.173 14.107 -4.810 1.00 0.00 H new ATOM 711 N LEU A 46 4.582 11.412 1.920 1.00 0.00 N ATOM 712 CA LEU A 46 4.184 10.783 3.212 1.00 0.00 C ATOM 713 C LEU A 46 4.069 11.871 4.281 1.00 0.00 C ATOM 714 O LEU A 46 3.420 11.694 5.294 1.00 0.00 O ATOM 715 CB LEU A 46 5.246 9.755 3.639 1.00 0.00 C ATOM 716 CG LEU A 46 4.703 8.309 3.609 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.514 8.156 4.564 1.00 0.00 C ATOM 718 CD2 LEU A 46 4.277 7.897 2.185 1.00 0.00 C ATOM 0 H LEU A 46 5.469 11.091 1.532 1.00 0.00 H new ATOM 0 HA LEU A 46 3.226 10.278 3.093 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.109 9.831 2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.593 9.990 4.645 1.00 0.00 H new ATOM 0 HG LEU A 46 5.511 7.653 3.933 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.147 7.130 4.527 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.831 8.392 5.580 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.717 8.837 4.265 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.900 6.874 2.200 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.494 8.568 1.831 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.136 7.957 1.516 1.00 0.00 H new ATOM 730 N GLN A 47 4.685 13.000 4.060 1.00 0.00 N ATOM 731 CA GLN A 47 4.602 14.102 5.058 1.00 0.00 C ATOM 732 C GLN A 47 3.357 14.943 4.769 1.00 0.00 C ATOM 733 O GLN A 47 2.984 15.806 5.539 1.00 0.00 O ATOM 734 CB GLN A 47 5.851 14.981 4.955 1.00 0.00 C ATOM 735 CG GLN A 47 7.100 14.098 4.973 1.00 0.00 C ATOM 736 CD GLN A 47 8.226 14.818 5.716 1.00 0.00 C ATOM 737 OE1 GLN A 47 8.019 15.352 6.788 1.00 0.00 O ATOM 738 NE2 GLN A 47 9.419 14.856 5.188 1.00 0.00 N ATOM 0 H GLN A 47 5.242 13.206 3.231 1.00 0.00 H new ATOM 0 HA GLN A 47 4.539 13.685 6.063 1.00 0.00 H new ATOM 0 HB2 GLN A 47 5.821 15.568 4.037 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.881 15.688 5.784 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.879 13.148 5.459 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.411 13.870 3.954 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.593 14.408 4.288 1.00 0.00 H new ATOM 0 HE22 GLN A 47 10.177 15.334 5.675 1.00 0.00 H new ATOM 747 N ALA A 48 2.716 14.697 3.660 1.00 0.00 N ATOM 748 CA ALA A 48 1.498 15.473 3.306 1.00 0.00 C ATOM 749 C ALA A 48 0.580 15.579 4.525 1.00 0.00 C ATOM 750 O ALA A 48 0.447 16.629 5.123 1.00 0.00 O ATOM 751 CB ALA A 48 0.756 14.769 2.168 1.00 0.00 C ATOM 0 H ALA A 48 2.987 13.986 2.980 1.00 0.00 H new ATOM 0 HA ALA A 48 1.790 16.474 2.987 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.137 15.338 1.909 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.408 14.699 1.297 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.468 13.767 2.486 1.00 0.00 H new ATOM 757 N GLY A 49 -0.059 14.501 4.898 1.00 0.00 N ATOM 758 CA GLY A 49 -0.970 14.546 6.078 1.00 0.00 C ATOM 759 C GLY A 49 -0.918 13.211 6.821 1.00 0.00 C ATOM 760 O GLY A 49 -1.711 12.951 7.704 1.00 0.00 O ATOM 0 H GLY A 49 0.011 13.594 4.437 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.676 15.356 6.745 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.990 14.753 5.754 1.00 0.00 H new ATOM 764 N GLY A 50 0.007 12.360 6.471 1.00 0.00 N ATOM 765 CA GLY A 50 0.103 11.042 7.159 1.00 0.00 C ATOM 766 C GLY A 50 -0.891 10.070 6.526 1.00 0.00 C ATOM 767 O GLY A 50 -2.016 9.939 6.968 1.00 0.00 O ATOM 0 H GLY A 50 0.699 12.520 5.739 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.116 10.649 7.077 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.109 11.157 8.222 1.00 0.00 H new ATOM 771 N TYR A 51 -0.486 9.390 5.490 1.00 0.00 N ATOM 772 CA TYR A 51 -1.404 8.433 4.822 1.00 0.00 C ATOM 773 C TYR A 51 -1.722 7.277 5.767 1.00 0.00 C ATOM 774 O TYR A 51 -0.888 6.437 6.044 1.00 0.00 O ATOM 775 CB TYR A 51 -0.729 7.891 3.564 1.00 0.00 C ATOM 776 CG TYR A 51 -0.665 8.981 2.523 1.00 0.00 C ATOM 777 CD1 TYR A 51 -1.840 9.502 1.978 1.00 0.00 C ATOM 778 CD2 TYR A 51 0.569 9.479 2.115 1.00 0.00 C ATOM 779 CE1 TYR A 51 -1.778 10.526 1.027 1.00 0.00 C ATOM 780 CE2 TYR A 51 0.640 10.497 1.162 1.00 0.00 C ATOM 781 CZ TYR A 51 -0.534 11.025 0.618 1.00 0.00 C ATOM 782 OH TYR A 51 -0.463 12.036 -0.319 1.00 0.00 O ATOM 0 H TYR A 51 0.445 9.458 5.078 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.330 8.942 4.555 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.275 7.538 3.800 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.285 7.036 3.179 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.798 9.114 2.291 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.477 9.076 2.538 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.687 10.931 0.609 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.601 10.876 0.846 1.00 0.00 H new ATOM 0 HH TYR A 51 0.123 12.748 0.012 1.00 0.00 H new ATOM 792 N GLY A 52 -2.927 7.223 6.258 1.00 0.00 N ATOM 793 CA GLY A 52 -3.306 6.118 7.177 1.00 0.00 C ATOM 794 C GLY A 52 -3.175 4.790 6.440 1.00 0.00 C ATOM 795 O GLY A 52 -3.433 3.736 6.988 1.00 0.00 O ATOM 0 H GLY A 52 -3.666 7.898 6.062 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.664 6.124 8.058 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.329 6.254 7.527 1.00 0.00 H new ATOM 799 N PHE A 53 -2.796 4.831 5.191 1.00 0.00 N ATOM 800 CA PHE A 53 -2.677 3.567 4.415 1.00 0.00 C ATOM 801 C PHE A 53 -1.886 3.830 3.122 1.00 0.00 C ATOM 802 O PHE A 53 -1.929 4.909 2.564 1.00 0.00 O ATOM 803 CB PHE A 53 -4.095 3.108 4.099 1.00 0.00 C ATOM 804 CG PHE A 53 -4.158 1.627 3.865 1.00 0.00 C ATOM 805 CD1 PHE A 53 -3.754 1.107 2.643 1.00 0.00 C ATOM 806 CD2 PHE A 53 -4.684 0.783 4.848 1.00 0.00 C ATOM 807 CE1 PHE A 53 -3.872 -0.253 2.389 1.00 0.00 C ATOM 808 CE2 PHE A 53 -4.796 -0.584 4.603 1.00 0.00 C ATOM 809 CZ PHE A 53 -4.394 -1.108 3.369 1.00 0.00 C ATOM 0 H PHE A 53 -2.565 5.682 4.678 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.147 2.799 4.977 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.756 3.375 4.923 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.459 3.632 3.215 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.347 1.762 1.887 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -5.003 1.190 5.796 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.561 -0.652 1.435 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.193 -1.239 5.365 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.486 -2.166 3.173 1.00 0.00 H new ATOM 819 N VAL A 54 -1.144 2.863 2.647 1.00 0.00 N ATOM 820 CA VAL A 54 -0.341 3.094 1.408 1.00 0.00 C ATOM 821 C VAL A 54 -0.341 1.848 0.519 1.00 0.00 C ATOM 822 O VAL A 54 -0.327 0.729 0.994 1.00 0.00 O ATOM 823 CB VAL A 54 1.099 3.430 1.807 1.00 0.00 C ATOM 824 CG1 VAL A 54 1.901 3.828 0.567 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.090 4.591 2.804 1.00 0.00 C ATOM 0 H VAL A 54 -1.059 1.933 3.058 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.784 3.918 0.849 1.00 0.00 H new ATOM 0 HB VAL A 54 1.560 2.556 2.266 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.925 4.066 0.857 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.908 3.001 -0.143 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.443 4.701 0.102 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.114 4.833 3.090 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.627 5.463 2.343 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.523 4.305 3.690 1.00 0.00 H new ATOM 835 N ILE A 55 -0.337 2.053 -0.774 1.00 0.00 N ATOM 836 CA ILE A 55 -0.315 0.911 -1.734 1.00 0.00 C ATOM 837 C ILE A 55 0.812 1.150 -2.741 1.00 0.00 C ATOM 838 O ILE A 55 0.847 2.164 -3.411 1.00 0.00 O ATOM 839 CB ILE A 55 -1.650 0.832 -2.478 1.00 0.00 C ATOM 840 CG1 ILE A 55 -2.803 0.869 -1.473 1.00 0.00 C ATOM 841 CG2 ILE A 55 -1.715 -0.472 -3.276 1.00 0.00 C ATOM 842 CD1 ILE A 55 -4.134 0.831 -2.226 1.00 0.00 C ATOM 0 H ILE A 55 -0.348 2.975 -1.209 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.153 -0.023 -1.196 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.733 1.680 -3.157 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.734 0.021 -0.792 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.742 1.772 -0.865 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.666 -0.527 -3.806 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.897 -0.499 -3.996 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.628 -1.319 -2.596 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.957 0.857 -1.512 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.202 1.693 -2.889 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.193 -0.085 -2.814 1.00 0.00 H new ATOM 854 N SER A 56 1.741 0.238 -2.844 1.00 0.00 N ATOM 855 CA SER A 56 2.869 0.431 -3.799 1.00 0.00 C ATOM 856 C SER A 56 3.279 -0.913 -4.403 1.00 0.00 C ATOM 857 O SER A 56 3.313 -1.925 -3.731 1.00 0.00 O ATOM 858 CB SER A 56 4.059 1.029 -3.050 1.00 0.00 C ATOM 859 OG SER A 56 4.558 0.072 -2.124 1.00 0.00 O ATOM 0 H SER A 56 1.767 -0.630 -2.309 1.00 0.00 H new ATOM 0 HA SER A 56 2.554 1.101 -4.599 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.841 1.314 -3.754 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.756 1.936 -2.526 1.00 0.00 H new ATOM 0 HG SER A 56 5.323 0.451 -1.642 1.00 0.00 H new ATOM 865 N ASP A 57 3.610 -0.936 -5.662 1.00 0.00 N ATOM 866 CA ASP A 57 4.034 -2.217 -6.286 1.00 0.00 C ATOM 867 C ASP A 57 5.397 -2.610 -5.707 1.00 0.00 C ATOM 868 O ASP A 57 6.056 -1.816 -5.065 1.00 0.00 O ATOM 869 CB ASP A 57 4.154 -2.036 -7.801 1.00 0.00 C ATOM 870 CG ASP A 57 3.576 -3.261 -8.510 1.00 0.00 C ATOM 871 OD1 ASP A 57 4.294 -4.238 -8.645 1.00 0.00 O ATOM 872 OD2 ASP A 57 2.423 -3.203 -8.906 1.00 0.00 O ATOM 0 H ASP A 57 3.605 -0.127 -6.283 1.00 0.00 H new ATOM 0 HA ASP A 57 3.299 -2.995 -6.079 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.622 -1.137 -8.114 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.199 -1.901 -8.080 1.00 0.00 H new ATOM 877 N TRP A 58 5.828 -3.819 -5.925 1.00 0.00 N ATOM 878 CA TRP A 58 7.149 -4.248 -5.380 1.00 0.00 C ATOM 879 C TRP A 58 8.270 -3.526 -6.132 1.00 0.00 C ATOM 880 O TRP A 58 8.742 -2.489 -5.710 1.00 0.00 O ATOM 881 CB TRP A 58 7.292 -5.762 -5.553 1.00 0.00 C ATOM 882 CG TRP A 58 8.577 -6.229 -4.946 1.00 0.00 C ATOM 883 CD1 TRP A 58 9.712 -6.482 -5.635 1.00 0.00 C ATOM 884 CD2 TRP A 58 8.874 -6.515 -3.548 1.00 0.00 C ATOM 885 NE1 TRP A 58 10.688 -6.904 -4.750 1.00 0.00 N ATOM 886 CE2 TRP A 58 10.220 -6.941 -3.451 1.00 0.00 C ATOM 887 CE3 TRP A 58 8.115 -6.447 -2.365 1.00 0.00 C ATOM 888 CZ2 TRP A 58 10.792 -7.287 -2.226 1.00 0.00 C ATOM 889 CZ3 TRP A 58 8.689 -6.794 -1.131 1.00 0.00 C ATOM 890 CH2 TRP A 58 10.025 -7.214 -1.063 1.00 0.00 C ATOM 0 H TRP A 58 5.325 -4.530 -6.456 1.00 0.00 H new ATOM 0 HA TRP A 58 7.214 -3.997 -4.321 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.452 -6.271 -5.081 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.266 -6.019 -6.612 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.837 -6.373 -6.702 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.638 -7.157 -5.023 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.085 -6.126 -2.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 11.822 -7.609 -2.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.098 -6.737 -0.229 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.460 -7.481 -0.111 1.00 0.00 H new ATOM 901 N ASN A 59 8.701 -4.060 -7.241 1.00 0.00 N ATOM 902 CA ASN A 59 9.790 -3.392 -8.008 1.00 0.00 C ATOM 903 C ASN A 59 9.275 -2.065 -8.568 1.00 0.00 C ATOM 904 O ASN A 59 8.216 -2.006 -9.157 1.00 0.00 O ATOM 905 CB ASN A 59 10.232 -4.298 -9.160 1.00 0.00 C ATOM 906 CG ASN A 59 11.751 -4.217 -9.318 1.00 0.00 C ATOM 907 OD1 ASN A 59 12.312 -3.140 -9.357 1.00 0.00 O ATOM 908 ND2 ASN A 59 12.446 -5.317 -9.411 1.00 0.00 N ATOM 0 H ASN A 59 8.348 -4.926 -7.648 1.00 0.00 H new ATOM 0 HA ASN A 59 10.638 -3.204 -7.350 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.930 -5.327 -8.964 1.00 0.00 H new ATOM 0 HB3 ASN A 59 9.743 -3.993 -10.085 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.460 -5.272 -9.516 1.00 0.00 H new ATOM 0 HD22 ASN A 59 11.976 -6.222 -9.378 1.00 0.00 H new ATOM 915 N MET A 60 10.014 -1.001 -8.392 1.00 0.00 N ATOM 916 CA MET A 60 9.560 0.319 -8.922 1.00 0.00 C ATOM 917 C MET A 60 10.681 1.370 -8.792 1.00 0.00 C ATOM 918 O MET A 60 11.036 1.979 -9.783 1.00 0.00 O ATOM 919 CB MET A 60 8.308 0.788 -8.164 1.00 0.00 C ATOM 920 CG MET A 60 7.079 0.814 -9.084 1.00 0.00 C ATOM 921 SD MET A 60 5.571 0.802 -8.075 1.00 0.00 S ATOM 922 CE MET A 60 6.069 2.041 -6.848 1.00 0.00 C ATOM 0 H MET A 60 10.910 -0.989 -7.905 1.00 0.00 H new ATOM 0 HA MET A 60 9.315 0.203 -9.978 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.120 0.124 -7.321 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.480 1.783 -7.754 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.101 1.703 -9.714 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.091 -0.049 -9.750 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.218 2.285 -6.212 1.00 0.00 H new ATOM 0 HE2 MET A 60 6.878 1.642 -6.236 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.411 2.941 -7.358 1.00 0.00 H new ATOM 932 N PRO A 61 11.225 1.578 -7.600 1.00 0.00 N ATOM 933 CA PRO A 61 12.300 2.576 -7.432 1.00 0.00 C ATOM 934 C PRO A 61 13.523 2.169 -8.258 1.00 0.00 C ATOM 935 O PRO A 61 13.434 1.358 -9.159 1.00 0.00 O ATOM 936 CB PRO A 61 12.643 2.552 -5.938 1.00 0.00 C ATOM 937 CG PRO A 61 11.732 1.501 -5.262 1.00 0.00 C ATOM 938 CD PRO A 61 10.846 0.874 -6.350 1.00 0.00 C ATOM 0 HA PRO A 61 11.995 3.568 -7.765 1.00 0.00 H new ATOM 0 HB2 PRO A 61 13.693 2.299 -5.791 1.00 0.00 H new ATOM 0 HB3 PRO A 61 12.487 3.535 -5.494 1.00 0.00 H new ATOM 0 HG2 PRO A 61 12.332 0.735 -4.771 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.118 1.967 -4.492 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.020 -0.199 -6.432 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.788 1.009 -6.125 1.00 0.00 H new ATOM 946 N ASN A 62 14.664 2.720 -7.952 1.00 0.00 N ATOM 947 CA ASN A 62 15.892 2.358 -8.711 1.00 0.00 C ATOM 948 C ASN A 62 16.250 0.901 -8.416 1.00 0.00 C ATOM 949 O ASN A 62 17.101 0.317 -9.057 1.00 0.00 O ATOM 950 CB ASN A 62 17.045 3.267 -8.279 1.00 0.00 C ATOM 951 CG ASN A 62 17.329 3.059 -6.790 1.00 0.00 C ATOM 952 OD1 ASN A 62 16.380 3.274 -5.920 1.00 0.00 O flip ATOM 953 ND2 ASN A 62 18.427 2.698 -6.413 1.00 0.00 N flip ATOM 0 H ASN A 62 14.799 3.406 -7.209 1.00 0.00 H new ATOM 0 HA ASN A 62 15.716 2.483 -9.779 1.00 0.00 H new ATOM 0 HB2 ASN A 62 17.937 3.044 -8.865 1.00 0.00 H new ATOM 0 HB3 ASN A 62 16.791 4.310 -8.469 1.00 0.00 H new ATOM 0 HD21 ASN A 62 19.169 2.530 -7.092 1.00 0.00 H new ATOM 0 HD22 ASN A 62 18.606 2.563 -5.418 1.00 0.00 H new ATOM 960 N MET A 63 15.601 0.310 -7.446 1.00 0.00 N ATOM 961 CA MET A 63 15.891 -1.112 -7.098 1.00 0.00 C ATOM 962 C MET A 63 14.581 -1.829 -6.762 1.00 0.00 C ATOM 963 O MET A 63 13.839 -2.219 -7.642 1.00 0.00 O ATOM 964 CB MET A 63 16.824 -1.165 -5.884 1.00 0.00 C ATOM 965 CG MET A 63 18.235 -0.737 -6.296 1.00 0.00 C ATOM 966 SD MET A 63 18.960 -1.994 -7.378 1.00 0.00 S ATOM 967 CE MET A 63 19.995 -0.879 -8.357 1.00 0.00 C ATOM 0 H MET A 63 14.879 0.754 -6.878 1.00 0.00 H new ATOM 0 HA MET A 63 16.371 -1.601 -7.945 1.00 0.00 H new ATOM 0 HB2 MET A 63 16.450 -0.509 -5.098 1.00 0.00 H new ATOM 0 HB3 MET A 63 16.845 -2.175 -5.474 1.00 0.00 H new ATOM 0 HG2 MET A 63 18.199 0.223 -6.811 1.00 0.00 H new ATOM 0 HG3 MET A 63 18.857 -0.601 -5.412 1.00 0.00 H new ATOM 0 HE1 MET A 63 20.939 -1.371 -8.591 1.00 0.00 H new ATOM 0 HE2 MET A 63 19.480 -0.623 -9.283 1.00 0.00 H new ATOM 0 HE3 MET A 63 20.190 0.030 -7.788 1.00 0.00 H new ATOM 977 N ASP A 64 14.296 -2.003 -5.494 1.00 0.00 N ATOM 978 CA ASP A 64 13.035 -2.695 -5.084 1.00 0.00 C ATOM 979 C ASP A 64 12.246 -1.795 -4.129 1.00 0.00 C ATOM 980 O ASP A 64 12.813 -1.047 -3.356 1.00 0.00 O ATOM 981 CB ASP A 64 13.381 -4.009 -4.383 1.00 0.00 C ATOM 982 CG ASP A 64 13.081 -5.183 -5.319 1.00 0.00 C ATOM 983 OD1 ASP A 64 11.996 -5.209 -5.874 1.00 0.00 O ATOM 984 OD2 ASP A 64 13.943 -6.034 -5.462 1.00 0.00 O ATOM 0 H ASP A 64 14.886 -1.693 -4.722 1.00 0.00 H new ATOM 0 HA ASP A 64 12.430 -2.904 -5.966 1.00 0.00 H new ATOM 0 HB2 ASP A 64 14.434 -4.016 -4.100 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.803 -4.106 -3.464 1.00 0.00 H new ATOM 989 N GLY A 65 10.941 -1.857 -4.178 1.00 0.00 N ATOM 990 CA GLY A 65 10.119 -0.996 -3.278 1.00 0.00 C ATOM 991 C GLY A 65 10.574 -1.169 -1.826 1.00 0.00 C ATOM 992 O GLY A 65 10.111 -0.480 -0.939 1.00 0.00 O ATOM 0 H GLY A 65 10.410 -2.465 -4.801 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.213 0.049 -3.575 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.066 -1.260 -3.371 1.00 0.00 H new ATOM 996 N LEU A 66 11.468 -2.086 -1.570 1.00 0.00 N ATOM 997 CA LEU A 66 11.933 -2.295 -0.169 1.00 0.00 C ATOM 998 C LEU A 66 12.342 -0.951 0.444 1.00 0.00 C ATOM 999 O LEU A 66 11.670 -0.434 1.306 1.00 0.00 O ATOM 1000 CB LEU A 66 13.132 -3.258 -0.152 1.00 0.00 C ATOM 1001 CG LEU A 66 13.000 -4.263 1.005 1.00 0.00 C ATOM 1002 CD1 LEU A 66 12.797 -3.524 2.331 1.00 0.00 C ATOM 1003 CD2 LEU A 66 11.808 -5.195 0.762 1.00 0.00 C ATOM 0 H LEU A 66 11.895 -2.697 -2.267 1.00 0.00 H new ATOM 0 HA LEU A 66 11.121 -2.727 0.416 1.00 0.00 H new ATOM 0 HB2 LEU A 66 13.190 -3.792 -1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 66 14.058 -2.693 -0.047 1.00 0.00 H new ATOM 0 HG LEU A 66 13.917 -4.850 1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.705 -4.248 3.141 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.652 -2.875 2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.889 -2.923 2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.725 -5.902 1.587 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.893 -4.606 0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.957 -5.741 -0.170 1.00 0.00 H new ATOM 1015 N GLU A 67 13.441 -0.389 0.014 1.00 0.00 N ATOM 1016 CA GLU A 67 13.892 0.917 0.586 1.00 0.00 C ATOM 1017 C GLU A 67 12.710 1.885 0.686 1.00 0.00 C ATOM 1018 O GLU A 67 12.534 2.563 1.679 1.00 0.00 O ATOM 1019 CB GLU A 67 14.969 1.524 -0.317 1.00 0.00 C ATOM 1020 CG GLU A 67 15.407 2.876 0.250 1.00 0.00 C ATOM 1021 CD GLU A 67 16.696 3.327 -0.440 1.00 0.00 C ATOM 1022 OE1 GLU A 67 16.621 3.727 -1.590 1.00 0.00 O ATOM 1023 OE2 GLU A 67 17.737 3.266 0.195 1.00 0.00 O ATOM 0 H GLU A 67 14.047 -0.777 -0.709 1.00 0.00 H new ATOM 0 HA GLU A 67 14.299 0.746 1.583 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.824 0.851 -0.384 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.582 1.650 -1.328 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.622 3.617 0.098 1.00 0.00 H new ATOM 0 HG3 GLU A 67 15.566 2.797 1.325 1.00 0.00 H new ATOM 1030 N LEU A 68 11.905 1.960 -0.335 1.00 0.00 N ATOM 1031 CA LEU A 68 10.737 2.885 -0.308 1.00 0.00 C ATOM 1032 C LEU A 68 9.868 2.564 0.912 1.00 0.00 C ATOM 1033 O LEU A 68 9.265 3.434 1.508 1.00 0.00 O ATOM 1034 CB LEU A 68 9.953 2.711 -1.624 1.00 0.00 C ATOM 1035 CG LEU A 68 8.429 2.731 -1.413 1.00 0.00 C ATOM 1036 CD1 LEU A 68 7.992 4.041 -0.750 1.00 0.00 C ATOM 1037 CD2 LEU A 68 7.748 2.620 -2.781 1.00 0.00 C ATOM 0 H LEU A 68 12.006 1.417 -1.193 1.00 0.00 H new ATOM 0 HA LEU A 68 11.058 3.923 -0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.231 3.506 -2.316 1.00 0.00 H new ATOM 0 HB3 LEU A 68 10.239 1.768 -2.091 1.00 0.00 H new ATOM 0 HG LEU A 68 8.147 1.899 -0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.911 4.035 -0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.483 4.140 0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.271 4.881 -1.386 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.666 2.633 -2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.048 3.461 -3.406 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.045 1.687 -3.261 1.00 0.00 H new ATOM 1049 N LEU A 69 9.804 1.318 1.286 1.00 0.00 N ATOM 1050 CA LEU A 69 8.978 0.927 2.462 1.00 0.00 C ATOM 1051 C LEU A 69 9.831 1.018 3.735 1.00 0.00 C ATOM 1052 O LEU A 69 9.358 1.405 4.788 1.00 0.00 O ATOM 1053 CB LEU A 69 8.456 -0.504 2.219 1.00 0.00 C ATOM 1054 CG LEU A 69 8.415 -1.349 3.498 1.00 0.00 C ATOM 1055 CD1 LEU A 69 7.448 -0.744 4.513 1.00 0.00 C ATOM 1056 CD2 LEU A 69 7.906 -2.741 3.150 1.00 0.00 C ATOM 0 H LEU A 69 10.291 0.549 0.826 1.00 0.00 H new ATOM 0 HA LEU A 69 8.127 1.595 2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.455 -0.452 1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.092 -0.997 1.484 1.00 0.00 H new ATOM 0 HG LEU A 69 9.418 -1.384 3.922 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.434 -1.359 5.413 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.772 0.265 4.768 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.447 -0.706 4.084 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.872 -3.352 4.052 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.905 -2.667 2.724 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.576 -3.202 2.424 1.00 0.00 H new ATOM 1068 N LYS A 70 11.085 0.671 3.644 1.00 0.00 N ATOM 1069 CA LYS A 70 11.976 0.742 4.836 1.00 0.00 C ATOM 1070 C LYS A 70 12.060 2.189 5.318 1.00 0.00 C ATOM 1071 O LYS A 70 11.916 2.473 6.490 1.00 0.00 O ATOM 1072 CB LYS A 70 13.374 0.249 4.455 1.00 0.00 C ATOM 1073 CG LYS A 70 14.016 -0.452 5.653 1.00 0.00 C ATOM 1074 CD LYS A 70 15.422 -0.923 5.274 1.00 0.00 C ATOM 1075 CE LYS A 70 16.082 -1.590 6.483 1.00 0.00 C ATOM 1076 NZ LYS A 70 17.421 -0.982 6.716 1.00 0.00 N ATOM 0 H LYS A 70 11.533 0.339 2.790 1.00 0.00 H new ATOM 0 HA LYS A 70 11.574 0.115 5.632 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.311 -0.437 3.611 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.993 1.089 4.138 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.066 0.229 6.503 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.407 -1.302 5.960 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.370 -1.625 4.442 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.022 -0.077 4.940 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.456 -1.466 7.367 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.182 -2.662 6.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 17.870 -1.435 7.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 18.017 -1.122 5.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.313 0.036 6.898 1.00 0.00 H new ATOM 1090 N THR A 71 12.285 3.110 4.419 1.00 0.00 N ATOM 1091 CA THR A 71 12.371 4.539 4.826 1.00 0.00 C ATOM 1092 C THR A 71 11.185 4.871 5.733 1.00 0.00 C ATOM 1093 O THR A 71 11.316 5.587 6.706 1.00 0.00 O ATOM 1094 CB THR A 71 12.332 5.428 3.581 1.00 0.00 C ATOM 1095 OG1 THR A 71 11.360 4.927 2.673 1.00 0.00 O ATOM 1096 CG2 THR A 71 13.708 5.428 2.910 1.00 0.00 C ATOM 0 H THR A 71 12.412 2.933 3.423 1.00 0.00 H new ATOM 0 HA THR A 71 13.303 4.715 5.362 1.00 0.00 H new ATOM 0 HB THR A 71 12.070 6.446 3.869 1.00 0.00 H new ATOM 0 HG1 THR A 71 11.740 4.179 2.167 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.680 6.061 2.023 1.00 0.00 H new ATOM 0 HG22 THR A 71 14.453 5.812 3.607 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.972 4.411 2.621 1.00 0.00 H new ATOM 1104 N ILE A 72 10.030 4.347 5.425 1.00 0.00 N ATOM 1105 CA ILE A 72 8.839 4.623 6.275 1.00 0.00 C ATOM 1106 C ILE A 72 9.069 4.024 7.663 1.00 0.00 C ATOM 1107 O ILE A 72 8.801 4.644 8.672 1.00 0.00 O ATOM 1108 CB ILE A 72 7.600 3.981 5.642 1.00 0.00 C ATOM 1109 CG1 ILE A 72 7.464 4.452 4.190 1.00 0.00 C ATOM 1110 CG2 ILE A 72 6.353 4.391 6.428 1.00 0.00 C ATOM 1111 CD1 ILE A 72 6.327 3.686 3.506 1.00 0.00 C ATOM 0 H ILE A 72 9.861 3.741 4.623 1.00 0.00 H new ATOM 0 HA ILE A 72 8.686 5.699 6.357 1.00 0.00 H new ATOM 0 HB ILE A 72 7.704 2.896 5.665 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.263 5.523 4.162 1.00 0.00 H new ATOM 0 HG13 ILE A 72 8.400 4.289 3.655 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.472 3.934 5.977 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.447 4.056 7.461 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.250 5.476 6.407 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.231 4.022 2.474 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.547 2.618 3.521 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.393 3.872 4.036 1.00 0.00 H new ATOM 1123 N ARG A 73 9.568 2.818 7.718 1.00 0.00 N ATOM 1124 CA ARG A 73 9.822 2.173 9.039 1.00 0.00 C ATOM 1125 C ARG A 73 10.919 2.937 9.784 1.00 0.00 C ATOM 1126 O ARG A 73 10.961 2.952 10.998 1.00 0.00 O ATOM 1127 CB ARG A 73 10.272 0.727 8.818 1.00 0.00 C ATOM 1128 CG ARG A 73 10.537 0.060 10.170 1.00 0.00 C ATOM 1129 CD ARG A 73 12.047 -0.052 10.399 1.00 0.00 C ATOM 1130 NE ARG A 73 12.639 -0.961 9.377 1.00 0.00 N ATOM 1131 CZ ARG A 73 13.316 -2.016 9.749 1.00 0.00 C ATOM 1132 NH1 ARG A 73 13.984 -2.003 10.870 1.00 0.00 N ATOM 1133 NH2 ARG A 73 13.325 -3.082 8.996 1.00 0.00 N ATOM 0 H ARG A 73 9.811 2.252 6.905 1.00 0.00 H new ATOM 0 HA ARG A 73 8.907 2.187 9.630 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.505 0.176 8.273 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.175 0.706 8.207 1.00 0.00 H new ATOM 0 HG2 ARG A 73 10.080 0.642 10.970 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.081 -0.930 10.195 1.00 0.00 H new ATOM 0 HD2 ARG A 73 12.509 0.933 10.336 1.00 0.00 H new ATOM 0 HD3 ARG A 73 12.246 -0.434 11.400 1.00 0.00 H new ATOM 0 HE ARG A 73 12.516 -0.760 8.385 1.00 0.00 H new ATOM 0 HH11 ARG A 73 13.978 -1.169 11.457 1.00 0.00 H new ATOM 0 HH12 ARG A 73 14.512 -2.827 11.159 1.00 0.00 H new ATOM 0 HH21 ARG A 73 12.804 -3.091 8.119 1.00 0.00 H new ATOM 0 HH22 ARG A 73 13.853 -3.906 9.285 1.00 0.00 H new ATOM 1147 N ALA A 74 11.809 3.567 9.066 1.00 0.00 N ATOM 1148 CA ALA A 74 12.907 4.326 9.731 1.00 0.00 C ATOM 1149 C ALA A 74 12.332 5.179 10.866 1.00 0.00 C ATOM 1150 O ALA A 74 12.996 5.452 11.846 1.00 0.00 O ATOM 1151 CB ALA A 74 13.591 5.234 8.708 1.00 0.00 C ATOM 0 H ALA A 74 11.823 3.589 8.046 1.00 0.00 H new ATOM 0 HA ALA A 74 13.634 3.624 10.140 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.394 5.789 9.193 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.005 4.627 7.902 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.863 5.934 8.298 1.00 0.00 H new ATOM 1157 N ASP A 75 11.104 5.602 10.740 1.00 0.00 N ATOM 1158 CA ASP A 75 10.490 6.436 11.810 1.00 0.00 C ATOM 1159 C ASP A 75 10.393 5.621 13.103 1.00 0.00 C ATOM 1160 O ASP A 75 10.964 4.554 13.218 1.00 0.00 O ATOM 1161 CB ASP A 75 9.091 6.876 11.369 1.00 0.00 C ATOM 1162 CG ASP A 75 9.072 8.393 11.171 1.00 0.00 C ATOM 1163 OD1 ASP A 75 9.941 8.889 10.472 1.00 0.00 O ATOM 1164 OD2 ASP A 75 8.191 9.032 11.721 1.00 0.00 O ATOM 0 H ASP A 75 10.500 5.406 9.942 1.00 0.00 H new ATOM 0 HA ASP A 75 11.108 7.316 11.987 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.816 6.374 10.441 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.354 6.587 12.118 1.00 0.00 H new ATOM 1169 N GLY A 76 9.670 6.113 14.074 1.00 0.00 N ATOM 1170 CA GLY A 76 9.531 5.368 15.359 1.00 0.00 C ATOM 1171 C GLY A 76 8.112 5.552 15.900 1.00 0.00 C ATOM 1172 O GLY A 76 7.563 4.677 16.541 1.00 0.00 O ATOM 0 H GLY A 76 9.169 7.000 14.032 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.738 4.309 15.203 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.259 5.732 16.084 1.00 0.00 H new ATOM 1176 N ALA A 77 7.514 6.684 15.646 1.00 0.00 N ATOM 1177 CA ALA A 77 6.131 6.923 16.146 1.00 0.00 C ATOM 1178 C ALA A 77 5.121 6.506 15.075 1.00 0.00 C ATOM 1179 O ALA A 77 4.250 5.693 15.313 1.00 0.00 O ATOM 1180 CB ALA A 77 5.955 8.410 16.461 1.00 0.00 C ATOM 0 H ALA A 77 7.923 7.453 15.115 1.00 0.00 H new ATOM 0 HA ALA A 77 5.964 6.336 17.049 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.944 8.587 16.827 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.674 8.708 17.224 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.121 8.996 15.557 1.00 0.00 H new ATOM 1186 N MET A 78 5.229 7.056 13.896 1.00 0.00 N ATOM 1187 CA MET A 78 4.273 6.692 12.812 1.00 0.00 C ATOM 1188 C MET A 78 4.854 5.550 11.975 1.00 0.00 C ATOM 1189 O MET A 78 4.406 5.284 10.877 1.00 0.00 O ATOM 1190 CB MET A 78 4.032 7.910 11.917 1.00 0.00 C ATOM 1191 CG MET A 78 5.375 8.470 11.443 1.00 0.00 C ATOM 1192 SD MET A 78 5.374 8.592 9.637 1.00 0.00 S ATOM 1193 CE MET A 78 4.363 10.088 9.512 1.00 0.00 C ATOM 0 H MET A 78 5.938 7.742 13.637 1.00 0.00 H new ATOM 0 HA MET A 78 3.330 6.371 13.254 1.00 0.00 H new ATOM 0 HB2 MET A 78 3.420 7.629 11.060 1.00 0.00 H new ATOM 0 HB3 MET A 78 3.481 8.674 12.465 1.00 0.00 H new ATOM 0 HG2 MET A 78 5.548 9.451 11.884 1.00 0.00 H new ATOM 0 HG3 MET A 78 6.188 7.824 11.774 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.231 10.352 8.463 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.388 9.908 9.966 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.859 10.907 10.032 1.00 0.00 H new ATOM 1203 N SER A 79 5.847 4.872 12.482 1.00 0.00 N ATOM 1204 CA SER A 79 6.451 3.749 11.711 1.00 0.00 C ATOM 1205 C SER A 79 5.547 2.518 11.804 1.00 0.00 C ATOM 1206 O SER A 79 5.993 1.432 12.116 1.00 0.00 O ATOM 1207 CB SER A 79 7.826 3.413 12.290 1.00 0.00 C ATOM 1208 OG SER A 79 7.740 3.366 13.708 1.00 0.00 O ATOM 0 H SER A 79 6.266 5.047 13.396 1.00 0.00 H new ATOM 0 HA SER A 79 6.557 4.044 10.667 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.172 2.454 11.903 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.556 4.162 11.983 1.00 0.00 H new ATOM 0 HG SER A 79 8.496 2.854 14.065 1.00 0.00 H new ATOM 1214 N ALA A 80 4.281 2.677 11.535 1.00 0.00 N ATOM 1215 CA ALA A 80 3.356 1.513 11.611 1.00 0.00 C ATOM 1216 C ALA A 80 2.213 1.698 10.611 1.00 0.00 C ATOM 1217 O ALA A 80 1.201 1.031 10.685 1.00 0.00 O ATOM 1218 CB ALA A 80 2.785 1.407 13.027 1.00 0.00 C ATOM 0 H ALA A 80 3.848 3.561 11.266 1.00 0.00 H new ATOM 0 HA ALA A 80 3.902 0.601 11.370 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.108 0.555 13.083 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.599 1.271 13.738 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.241 2.320 13.269 1.00 0.00 H new ATOM 1224 N LEU A 81 2.363 2.595 9.673 1.00 0.00 N ATOM 1225 CA LEU A 81 1.280 2.808 8.677 1.00 0.00 C ATOM 1226 C LEU A 81 1.129 1.524 7.828 1.00 0.00 C ATOM 1227 O LEU A 81 2.115 1.048 7.300 1.00 0.00 O ATOM 1228 CB LEU A 81 1.663 3.977 7.765 1.00 0.00 C ATOM 1229 CG LEU A 81 1.346 5.313 8.453 1.00 0.00 C ATOM 1230 CD1 LEU A 81 1.883 6.462 7.600 1.00 0.00 C ATOM 1231 CD2 LEU A 81 -0.170 5.488 8.620 1.00 0.00 C ATOM 0 H LEU A 81 3.186 3.186 9.556 1.00 0.00 H new ATOM 0 HA LEU A 81 0.341 3.032 9.183 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.725 3.927 7.524 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.119 3.906 6.823 1.00 0.00 H new ATOM 0 HG LEU A 81 1.817 5.318 9.436 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.659 7.412 8.086 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.962 6.358 7.487 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.411 6.437 6.618 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.375 6.440 9.109 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.648 5.473 7.641 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.565 4.675 9.229 1.00 0.00 H new ATOM 1243 N PRO A 82 -0.073 0.974 7.705 1.00 0.00 N ATOM 1244 CA PRO A 82 -0.266 -0.256 6.912 1.00 0.00 C ATOM 1245 C PRO A 82 0.139 -0.047 5.454 1.00 0.00 C ATOM 1246 O PRO A 82 -0.137 0.979 4.863 1.00 0.00 O ATOM 1247 CB PRO A 82 -1.768 -0.549 6.980 1.00 0.00 C ATOM 1248 CG PRO A 82 -2.427 0.557 7.837 1.00 0.00 C ATOM 1249 CD PRO A 82 -1.314 1.501 8.318 1.00 0.00 C ATOM 0 HA PRO A 82 0.345 -1.070 7.302 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.200 -0.565 5.979 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.946 -1.530 7.420 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.166 1.104 7.252 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.952 0.121 8.687 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.504 2.527 8.004 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.245 1.508 9.406 1.00 0.00 H new ATOM 1257 N VAL A 83 0.755 -1.037 4.866 1.00 0.00 N ATOM 1258 CA VAL A 83 1.147 -0.946 3.432 1.00 0.00 C ATOM 1259 C VAL A 83 0.607 -2.161 2.721 1.00 0.00 C ATOM 1260 O VAL A 83 0.972 -3.275 3.044 1.00 0.00 O ATOM 1261 CB VAL A 83 2.662 -0.962 3.263 1.00 0.00 C ATOM 1262 CG1 VAL A 83 3.001 -1.424 1.833 1.00 0.00 C ATOM 1263 CG2 VAL A 83 3.200 0.444 3.476 1.00 0.00 C ATOM 0 H VAL A 83 1.005 -1.913 5.324 1.00 0.00 H new ATOM 0 HA VAL A 83 0.751 -0.014 3.028 1.00 0.00 H new ATOM 0 HB VAL A 83 3.111 -1.642 3.987 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.083 -1.439 1.702 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.602 -2.425 1.670 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.558 -0.735 1.114 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.283 0.441 3.357 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.756 1.118 2.743 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.947 0.782 4.481 1.00 0.00 H new ATOM 1273 N LEU A 84 -0.229 -1.971 1.747 1.00 0.00 N ATOM 1274 CA LEU A 84 -0.750 -3.142 1.016 1.00 0.00 C ATOM 1275 C LEU A 84 -0.008 -3.268 -0.307 1.00 0.00 C ATOM 1276 O LEU A 84 -0.547 -3.001 -1.363 1.00 0.00 O ATOM 1277 CB LEU A 84 -2.251 -2.987 0.777 1.00 0.00 C ATOM 1278 CG LEU A 84 -2.822 -4.265 0.156 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -2.630 -5.450 1.107 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -4.317 -4.069 -0.100 1.00 0.00 C ATOM 0 H LEU A 84 -0.570 -1.063 1.430 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.592 -4.045 1.606 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.757 -2.774 1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.436 -2.139 0.117 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.300 -4.471 -0.779 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.041 -6.352 0.652 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.567 -5.593 1.300 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.146 -5.250 2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.732 -4.975 -0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.823 -3.861 0.843 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.463 -3.232 -0.783 1.00 0.00 H new ATOM 1292 N MET A 85 1.232 -3.671 -0.250 1.00 0.00 N ATOM 1293 CA MET A 85 2.019 -3.815 -1.500 1.00 0.00 C ATOM 1294 C MET A 85 1.181 -4.577 -2.518 1.00 0.00 C ATOM 1295 O MET A 85 0.166 -5.155 -2.183 1.00 0.00 O ATOM 1296 CB MET A 85 3.314 -4.579 -1.214 1.00 0.00 C ATOM 1297 CG MET A 85 4.504 -3.620 -1.298 1.00 0.00 C ATOM 1298 SD MET A 85 5.976 -4.426 -0.621 1.00 0.00 S ATOM 1299 CE MET A 85 7.167 -3.140 -1.070 1.00 0.00 C ATOM 0 H MET A 85 1.731 -3.906 0.608 1.00 0.00 H new ATOM 0 HA MET A 85 2.275 -2.831 -1.893 1.00 0.00 H new ATOM 0 HB2 MET A 85 3.269 -5.033 -0.224 1.00 0.00 H new ATOM 0 HB3 MET A 85 3.436 -5.390 -1.932 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.679 -3.330 -2.334 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.289 -2.707 -0.743 1.00 0.00 H new ATOM 0 HE1 MET A 85 8.163 -3.435 -0.740 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.168 -3.006 -2.152 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.889 -2.202 -0.589 1.00 0.00 H new ATOM 1309 N VAL A 86 1.573 -4.560 -3.760 1.00 0.00 N ATOM 1310 CA VAL A 86 0.763 -5.261 -4.793 1.00 0.00 C ATOM 1311 C VAL A 86 1.665 -5.857 -5.876 1.00 0.00 C ATOM 1312 O VAL A 86 2.412 -5.153 -6.528 1.00 0.00 O ATOM 1313 CB VAL A 86 -0.187 -4.241 -5.418 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -1.071 -4.930 -6.446 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -1.060 -3.623 -4.323 1.00 0.00 C ATOM 0 H VAL A 86 2.413 -4.095 -4.103 1.00 0.00 H new ATOM 0 HA VAL A 86 0.206 -6.077 -4.333 1.00 0.00 H new ATOM 0 HB VAL A 86 0.392 -3.458 -5.908 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.748 -4.201 -6.891 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.448 -5.369 -7.225 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.651 -5.714 -5.960 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.739 -2.895 -4.767 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.638 -4.407 -3.833 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.426 -3.127 -3.588 1.00 0.00 H new ATOM 1325 N THR A 87 1.597 -7.151 -6.088 1.00 0.00 N ATOM 1326 CA THR A 87 2.450 -7.766 -7.146 1.00 0.00 C ATOM 1327 C THR A 87 1.741 -8.993 -7.721 1.00 0.00 C ATOM 1328 O THR A 87 0.698 -9.394 -7.244 1.00 0.00 O ATOM 1329 CB THR A 87 3.799 -8.179 -6.551 1.00 0.00 C ATOM 1330 OG1 THR A 87 4.326 -9.270 -7.292 1.00 0.00 O ATOM 1331 CG2 THR A 87 3.612 -8.593 -5.093 1.00 0.00 C ATOM 0 H THR A 87 0.994 -7.798 -5.579 1.00 0.00 H new ATOM 0 HA THR A 87 2.620 -7.040 -7.941 1.00 0.00 H new ATOM 0 HB THR A 87 4.490 -7.338 -6.600 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.190 -9.535 -6.914 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.574 -8.886 -4.672 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.208 -7.755 -4.526 1.00 0.00 H new ATOM 0 HG23 THR A 87 2.921 -9.434 -5.039 1.00 0.00 H new ATOM 1339 N ALA A 88 2.300 -9.586 -8.743 1.00 0.00 N ATOM 1340 CA ALA A 88 1.667 -10.787 -9.360 1.00 0.00 C ATOM 1341 C ALA A 88 2.468 -12.037 -8.987 1.00 0.00 C ATOM 1342 O ALA A 88 1.913 -13.091 -8.745 1.00 0.00 O ATOM 1343 CB ALA A 88 1.654 -10.627 -10.881 1.00 0.00 C ATOM 0 H ALA A 88 3.173 -9.288 -9.179 1.00 0.00 H new ATOM 0 HA ALA A 88 0.646 -10.889 -8.993 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.192 -11.504 -11.335 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.084 -9.737 -11.148 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.676 -10.526 -11.245 1.00 0.00 H new ATOM 1349 N GLU A 89 3.768 -11.930 -8.941 1.00 0.00 N ATOM 1350 CA GLU A 89 4.601 -13.114 -8.586 1.00 0.00 C ATOM 1351 C GLU A 89 4.727 -13.218 -7.065 1.00 0.00 C ATOM 1352 O GLU A 89 4.145 -14.084 -6.444 1.00 0.00 O ATOM 1353 CB GLU A 89 5.992 -12.965 -9.205 1.00 0.00 C ATOM 1354 CG GLU A 89 6.844 -14.186 -8.852 1.00 0.00 C ATOM 1355 CD GLU A 89 7.933 -14.374 -9.909 1.00 0.00 C ATOM 1356 OE1 GLU A 89 7.592 -14.420 -11.080 1.00 0.00 O ATOM 1357 OE2 GLU A 89 9.088 -14.469 -9.530 1.00 0.00 O ATOM 0 H GLU A 89 4.289 -11.075 -9.134 1.00 0.00 H new ATOM 0 HA GLU A 89 4.127 -14.017 -8.971 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.911 -12.866 -10.287 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.470 -12.057 -8.837 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.296 -14.055 -7.869 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.217 -15.076 -8.798 1.00 0.00 H new ATOM 1364 N ALA A 90 5.482 -12.338 -6.460 1.00 0.00 N ATOM 1365 CA ALA A 90 5.642 -12.386 -4.978 1.00 0.00 C ATOM 1366 C ALA A 90 6.354 -13.680 -4.575 1.00 0.00 C ATOM 1367 O ALA A 90 5.741 -14.717 -4.418 1.00 0.00 O ATOM 1368 CB ALA A 90 4.264 -12.328 -4.318 1.00 0.00 C ATOM 0 H ALA A 90 5.993 -11.590 -6.928 1.00 0.00 H new ATOM 0 HA ALA A 90 6.239 -11.535 -4.650 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.378 -12.363 -3.235 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.764 -11.402 -4.601 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.667 -13.178 -4.648 1.00 0.00 H new ATOM 1374 N LYS A 91 7.648 -13.627 -4.402 1.00 0.00 N ATOM 1375 CA LYS A 91 8.400 -14.846 -4.006 1.00 0.00 C ATOM 1376 C LYS A 91 7.923 -15.310 -2.628 1.00 0.00 C ATOM 1377 O LYS A 91 6.741 -15.470 -2.394 1.00 0.00 O ATOM 1378 CB LYS A 91 9.890 -14.516 -3.946 1.00 0.00 C ATOM 1379 CG LYS A 91 10.278 -13.677 -5.166 1.00 0.00 C ATOM 1380 CD LYS A 91 11.794 -13.724 -5.357 1.00 0.00 C ATOM 1381 CE LYS A 91 12.142 -14.756 -6.431 1.00 0.00 C ATOM 1382 NZ LYS A 91 13.623 -14.864 -6.557 1.00 0.00 N ATOM 0 H LYS A 91 8.215 -12.788 -4.519 1.00 0.00 H new ATOM 0 HA LYS A 91 8.229 -15.639 -4.734 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.116 -13.970 -3.030 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.476 -15.435 -3.922 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.777 -14.057 -6.056 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.950 -12.646 -5.031 1.00 0.00 H new ATOM 0 HD2 LYS A 91 12.165 -12.741 -5.648 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.282 -13.983 -4.417 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.717 -15.725 -6.170 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.706 -14.464 -7.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.859 -15.566 -7.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.017 -13.940 -6.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.028 -15.162 -5.647 1.00 0.00 H new ATOM 1396 N LYS A 92 8.831 -15.522 -1.715 1.00 0.00 N ATOM 1397 CA LYS A 92 8.428 -15.970 -0.351 1.00 0.00 C ATOM 1398 C LYS A 92 9.365 -15.345 0.686 1.00 0.00 C ATOM 1399 O LYS A 92 8.928 -14.790 1.674 1.00 0.00 O ATOM 1400 CB LYS A 92 8.503 -17.498 -0.267 1.00 0.00 C ATOM 1401 CG LYS A 92 9.958 -17.956 -0.402 1.00 0.00 C ATOM 1402 CD LYS A 92 9.995 -19.438 -0.784 1.00 0.00 C ATOM 1403 CE LYS A 92 11.143 -20.129 -0.047 1.00 0.00 C ATOM 1404 NZ LYS A 92 12.338 -19.237 -0.040 1.00 0.00 N ATOM 0 H LYS A 92 9.835 -15.404 -1.854 1.00 0.00 H new ATOM 0 HA LYS A 92 7.405 -15.653 -0.150 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.092 -17.839 0.683 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.897 -17.945 -1.056 1.00 0.00 H new ATOM 0 HG2 LYS A 92 10.468 -17.362 -1.160 1.00 0.00 H new ATOM 0 HG3 LYS A 92 10.488 -17.799 0.537 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.048 -19.913 -0.530 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.125 -19.543 -1.861 1.00 0.00 H new ATOM 0 HE2 LYS A 92 10.845 -20.363 0.975 1.00 0.00 H new ATOM 0 HE3 LYS A 92 11.384 -21.074 -0.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 13.202 -19.815 -0.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 12.341 -18.654 -0.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 12.306 -18.620 0.796 1.00 0.00 H new ATOM 1418 N GLU A 93 10.649 -15.430 0.471 1.00 0.00 N ATOM 1419 CA GLU A 93 11.605 -14.843 1.440 1.00 0.00 C ATOM 1420 C GLU A 93 11.612 -13.320 1.288 1.00 0.00 C ATOM 1421 O GLU A 93 12.241 -12.611 2.049 1.00 0.00 O ATOM 1422 CB GLU A 93 13.008 -15.390 1.172 1.00 0.00 C ATOM 1423 CG GLU A 93 13.476 -14.947 -0.216 1.00 0.00 C ATOM 1424 CD GLU A 93 14.496 -13.815 -0.075 1.00 0.00 C ATOM 1425 OE1 GLU A 93 14.109 -12.749 0.375 1.00 0.00 O ATOM 1426 OE2 GLU A 93 15.645 -14.034 -0.419 1.00 0.00 O ATOM 0 H GLU A 93 11.074 -15.883 -0.338 1.00 0.00 H new ATOM 0 HA GLU A 93 11.303 -15.107 2.453 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.701 -15.030 1.932 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.003 -16.478 1.235 1.00 0.00 H new ATOM 0 HG2 GLU A 93 13.922 -15.788 -0.746 1.00 0.00 H new ATOM 0 HG3 GLU A 93 12.625 -14.612 -0.808 1.00 0.00 H new ATOM 1433 N ASN A 94 10.915 -12.814 0.308 1.00 0.00 N ATOM 1434 CA ASN A 94 10.880 -11.340 0.098 1.00 0.00 C ATOM 1435 C ASN A 94 9.719 -10.734 0.891 1.00 0.00 C ATOM 1436 O ASN A 94 9.762 -9.588 1.292 1.00 0.00 O ATOM 1437 CB ASN A 94 10.687 -11.047 -1.391 1.00 0.00 C ATOM 1438 CG ASN A 94 12.052 -10.956 -2.078 1.00 0.00 C ATOM 1439 OD1 ASN A 94 13.057 -11.340 -1.514 1.00 0.00 O ATOM 1440 ND2 ASN A 94 12.130 -10.461 -3.283 1.00 0.00 N ATOM 0 H ASN A 94 10.367 -13.359 -0.358 1.00 0.00 H new ATOM 0 HA ASN A 94 11.818 -10.902 0.440 1.00 0.00 H new ATOM 0 HB2 ASN A 94 10.088 -11.833 -1.852 1.00 0.00 H new ATOM 0 HB3 ASN A 94 10.141 -10.113 -1.520 1.00 0.00 H new ATOM 0 HD21 ASN A 94 13.034 -10.397 -3.750 1.00 0.00 H new ATOM 0 HD22 ASN A 94 11.287 -10.138 -3.757 1.00 0.00 H new ATOM 1447 N ILE A 95 8.680 -11.492 1.118 1.00 0.00 N ATOM 1448 CA ILE A 95 7.521 -10.952 1.883 1.00 0.00 C ATOM 1449 C ILE A 95 7.895 -10.828 3.363 1.00 0.00 C ATOM 1450 O ILE A 95 7.296 -10.075 4.103 1.00 0.00 O ATOM 1451 CB ILE A 95 6.321 -11.895 1.734 1.00 0.00 C ATOM 1452 CG1 ILE A 95 6.179 -12.324 0.271 1.00 0.00 C ATOM 1453 CG2 ILE A 95 5.045 -11.176 2.175 1.00 0.00 C ATOM 1454 CD1 ILE A 95 6.272 -11.100 -0.641 1.00 0.00 C ATOM 0 H ILE A 95 8.584 -12.459 0.808 1.00 0.00 H new ATOM 0 HA ILE A 95 7.258 -9.969 1.493 1.00 0.00 H new ATOM 0 HB ILE A 95 6.479 -12.775 2.357 1.00 0.00 H new ATOM 0 HG12 ILE A 95 6.961 -13.039 0.015 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.224 -12.828 0.122 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.193 -11.848 2.068 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.140 -10.873 3.218 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.891 -10.294 1.554 1.00 0.00 H new ATOM 0 HD11 ILE A 95 6.170 -11.412 -1.680 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.474 -10.400 -0.393 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.238 -10.614 -0.501 1.00 0.00 H new ATOM 1466 N ILE A 96 8.882 -11.561 3.801 1.00 0.00 N ATOM 1467 CA ILE A 96 9.288 -11.480 5.234 1.00 0.00 C ATOM 1468 C ILE A 96 10.068 -10.187 5.475 1.00 0.00 C ATOM 1469 O ILE A 96 9.625 -9.309 6.190 1.00 0.00 O ATOM 1470 CB ILE A 96 10.169 -12.679 5.588 1.00 0.00 C ATOM 1471 CG1 ILE A 96 9.326 -13.957 5.553 1.00 0.00 C ATOM 1472 CG2 ILE A 96 10.749 -12.489 6.991 1.00 0.00 C ATOM 1473 CD1 ILE A 96 10.244 -15.179 5.637 1.00 0.00 C ATOM 0 H ILE A 96 9.424 -12.211 3.231 1.00 0.00 H new ATOM 0 HA ILE A 96 8.396 -11.488 5.860 1.00 0.00 H new ATOM 0 HB ILE A 96 10.982 -12.759 4.867 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.620 -13.962 6.383 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.739 -13.993 4.635 1.00 0.00 H new ATOM 0 HG21 ILE A 96 11.377 -13.343 7.244 1.00 0.00 H new ATOM 0 HG22 ILE A 96 11.347 -11.578 7.017 1.00 0.00 H new ATOM 0 HG23 ILE A 96 9.936 -12.410 7.713 1.00 0.00 H new ATOM 0 HD11 ILE A 96 9.643 -16.088 5.612 1.00 0.00 H new ATOM 0 HD12 ILE A 96 10.932 -15.176 4.792 1.00 0.00 H new ATOM 0 HD13 ILE A 96 10.811 -15.145 6.567 1.00 0.00 H new ATOM 1485 N ALA A 97 11.224 -10.069 4.887 1.00 0.00 N ATOM 1486 CA ALA A 97 12.042 -8.835 5.076 1.00 0.00 C ATOM 1487 C ALA A 97 11.148 -7.609 4.934 1.00 0.00 C ATOM 1488 O ALA A 97 11.193 -6.694 5.733 1.00 0.00 O ATOM 1489 CB ALA A 97 13.140 -8.783 4.011 1.00 0.00 C ATOM 0 H ALA A 97 11.641 -10.775 4.281 1.00 0.00 H new ATOM 0 HA ALA A 97 12.494 -8.848 6.068 1.00 0.00 H new ATOM 0 HB1 ALA A 97 13.738 -7.882 4.148 1.00 0.00 H new ATOM 0 HB2 ALA A 97 13.780 -9.661 4.105 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.686 -8.769 3.020 1.00 0.00 H new ATOM 1495 N ALA A 98 10.335 -7.587 3.922 1.00 0.00 N ATOM 1496 CA ALA A 98 9.432 -6.426 3.718 1.00 0.00 C ATOM 1497 C ALA A 98 8.520 -6.267 4.937 1.00 0.00 C ATOM 1498 O ALA A 98 8.427 -5.205 5.519 1.00 0.00 O ATOM 1499 CB ALA A 98 8.584 -6.665 2.468 1.00 0.00 C ATOM 0 H ALA A 98 10.256 -8.326 3.223 1.00 0.00 H new ATOM 0 HA ALA A 98 10.022 -5.518 3.591 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.918 -5.816 2.312 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.236 -6.778 1.602 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.992 -7.571 2.598 1.00 0.00 H new ATOM 1505 N ALA A 99 7.834 -7.310 5.319 1.00 0.00 N ATOM 1506 CA ALA A 99 6.919 -7.214 6.487 1.00 0.00 C ATOM 1507 C ALA A 99 7.668 -6.634 7.690 1.00 0.00 C ATOM 1508 O ALA A 99 7.141 -5.830 8.432 1.00 0.00 O ATOM 1509 CB ALA A 99 6.397 -8.606 6.839 1.00 0.00 C ATOM 0 H ALA A 99 7.869 -8.225 4.870 1.00 0.00 H new ATOM 0 HA ALA A 99 6.084 -6.561 6.235 1.00 0.00 H new ATOM 0 HB1 ALA A 99 5.726 -8.537 7.695 1.00 0.00 H new ATOM 0 HB2 ALA A 99 5.857 -9.018 5.987 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.235 -9.257 7.086 1.00 0.00 H new ATOM 1515 N GLN A 100 8.890 -7.043 7.894 1.00 0.00 N ATOM 1516 CA GLN A 100 9.667 -6.522 9.053 1.00 0.00 C ATOM 1517 C GLN A 100 9.732 -4.993 8.985 1.00 0.00 C ATOM 1518 O GLN A 100 9.949 -4.329 9.979 1.00 0.00 O ATOM 1519 CB GLN A 100 11.084 -7.096 9.013 1.00 0.00 C ATOM 1520 CG GLN A 100 11.647 -7.168 10.434 1.00 0.00 C ATOM 1521 CD GLN A 100 11.239 -8.495 11.078 1.00 0.00 C ATOM 1522 OE1 GLN A 100 10.318 -8.541 11.869 1.00 0.00 O ATOM 1523 NE2 GLN A 100 11.891 -9.583 10.772 1.00 0.00 N ATOM 0 H GLN A 100 9.384 -7.716 7.308 1.00 0.00 H new ATOM 0 HA GLN A 100 9.178 -6.820 9.980 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.073 -8.089 8.564 1.00 0.00 H new ATOM 0 HB3 GLN A 100 11.723 -6.472 8.389 1.00 0.00 H new ATOM 0 HG2 GLN A 100 12.733 -7.082 10.411 1.00 0.00 H new ATOM 0 HG3 GLN A 100 11.273 -6.334 11.027 1.00 0.00 H new ATOM 0 HE21 GLN A 100 12.664 -9.544 10.108 1.00 0.00 H new ATOM 0 HE22 GLN A 100 11.627 -10.472 11.197 1.00 0.00 H new ATOM 1532 N ALA A 101 9.551 -4.433 7.820 1.00 0.00 N ATOM 1533 CA ALA A 101 9.610 -2.945 7.692 1.00 0.00 C ATOM 1534 C ALA A 101 8.202 -2.346 7.810 1.00 0.00 C ATOM 1535 O ALA A 101 7.923 -1.562 8.695 1.00 0.00 O ATOM 1536 CB ALA A 101 10.209 -2.569 6.334 1.00 0.00 C ATOM 0 H ALA A 101 9.365 -4.937 6.953 1.00 0.00 H new ATOM 0 HA ALA A 101 10.235 -2.548 8.492 1.00 0.00 H new ATOM 0 HB1 ALA A 101 10.251 -1.484 6.243 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.216 -2.979 6.254 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.587 -2.976 5.537 1.00 0.00 H new ATOM 1542 N GLY A 102 7.318 -2.705 6.921 1.00 0.00 N ATOM 1543 CA GLY A 102 5.933 -2.156 6.974 1.00 0.00 C ATOM 1544 C GLY A 102 5.040 -2.801 5.898 1.00 0.00 C ATOM 1545 O GLY A 102 3.837 -2.642 5.917 1.00 0.00 O ATOM 0 H GLY A 102 7.495 -3.357 6.157 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.505 -2.334 7.961 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.961 -1.076 6.829 1.00 0.00 H new ATOM 1549 N ALA A 103 5.621 -3.534 4.975 1.00 0.00 N ATOM 1550 CA ALA A 103 4.835 -4.218 3.893 1.00 0.00 C ATOM 1551 C ALA A 103 3.755 -5.123 4.493 1.00 0.00 C ATOM 1552 O ALA A 103 3.188 -5.951 3.809 1.00 0.00 O ATOM 1553 CB ALA A 103 5.768 -5.058 3.029 1.00 0.00 C ATOM 0 H ALA A 103 6.628 -3.690 4.925 1.00 0.00 H new ATOM 0 HA ALA A 103 4.355 -3.452 3.285 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.193 -5.552 2.246 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.521 -4.414 2.575 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.258 -5.810 3.648 1.00 0.00 H new ATOM 1559 N SER A 104 3.525 -5.002 5.772 1.00 0.00 N ATOM 1560 CA SER A 104 2.532 -5.869 6.493 1.00 0.00 C ATOM 1561 C SER A 104 1.391 -6.323 5.573 1.00 0.00 C ATOM 1562 O SER A 104 0.872 -7.410 5.730 1.00 0.00 O ATOM 1563 CB SER A 104 1.926 -5.064 7.646 1.00 0.00 C ATOM 1564 OG SER A 104 2.523 -5.470 8.870 1.00 0.00 O ATOM 0 H SER A 104 3.994 -4.321 6.369 1.00 0.00 H new ATOM 0 HA SER A 104 3.057 -6.754 6.851 1.00 0.00 H new ATOM 0 HB2 SER A 104 2.089 -3.998 7.485 1.00 0.00 H new ATOM 0 HB3 SER A 104 0.848 -5.219 7.685 1.00 0.00 H new ATOM 0 HG SER A 104 2.137 -4.954 9.609 1.00 0.00 H new ATOM 1570 N GLY A 105 1.007 -5.524 4.613 1.00 0.00 N ATOM 1571 CA GLY A 105 -0.087 -5.941 3.687 1.00 0.00 C ATOM 1572 C GLY A 105 0.508 -6.274 2.315 1.00 0.00 C ATOM 1573 O GLY A 105 1.239 -5.492 1.738 1.00 0.00 O ATOM 0 H GLY A 105 1.403 -4.602 4.430 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -0.609 -6.809 4.090 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.823 -5.142 3.593 1.00 0.00 H new ATOM 1577 N TYR A 106 0.197 -7.424 1.781 1.00 0.00 N ATOM 1578 CA TYR A 106 0.736 -7.795 0.441 1.00 0.00 C ATOM 1579 C TYR A 106 -0.281 -8.671 -0.281 1.00 0.00 C ATOM 1580 O TYR A 106 -0.510 -9.809 0.083 1.00 0.00 O ATOM 1581 CB TYR A 106 2.061 -8.551 0.589 1.00 0.00 C ATOM 1582 CG TYR A 106 2.061 -9.787 -0.294 1.00 0.00 C ATOM 1583 CD1 TYR A 106 2.010 -9.668 -1.694 1.00 0.00 C ATOM 1584 CD2 TYR A 106 2.123 -11.060 0.291 1.00 0.00 C ATOM 1585 CE1 TYR A 106 2.022 -10.819 -2.492 1.00 0.00 C ATOM 1586 CE2 TYR A 106 2.133 -12.205 -0.511 1.00 0.00 C ATOM 1587 CZ TYR A 106 2.083 -12.085 -1.899 1.00 0.00 C ATOM 1588 OH TYR A 106 2.094 -13.218 -2.686 1.00 0.00 O ATOM 0 H TYR A 106 -0.407 -8.123 2.214 1.00 0.00 H new ATOM 0 HA TYR A 106 0.918 -6.888 -0.136 1.00 0.00 H new ATOM 0 HB2 TYR A 106 2.892 -7.900 0.316 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.210 -8.839 1.630 1.00 0.00 H new ATOM 0 HD1 TYR A 106 1.962 -8.692 -2.153 1.00 0.00 H new ATOM 0 HD2 TYR A 106 2.163 -11.156 1.366 1.00 0.00 H new ATOM 0 HE1 TYR A 106 1.984 -10.729 -3.568 1.00 0.00 H new ATOM 0 HE2 TYR A 106 2.179 -13.183 -0.055 1.00 0.00 H new ATOM 0 HH TYR A 106 2.140 -14.013 -2.115 1.00 0.00 H new ATOM 1598 N VAL A 107 -0.889 -8.141 -1.301 1.00 0.00 N ATOM 1599 CA VAL A 107 -1.893 -8.919 -2.069 1.00 0.00 C ATOM 1600 C VAL A 107 -1.281 -9.331 -3.403 1.00 0.00 C ATOM 1601 O VAL A 107 -0.651 -8.538 -4.079 1.00 0.00 O ATOM 1602 CB VAL A 107 -3.113 -8.043 -2.337 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -2.685 -6.852 -3.195 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -4.174 -8.861 -3.078 1.00 0.00 C ATOM 0 H VAL A 107 -0.731 -7.192 -1.639 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.189 -9.801 -1.501 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.531 -7.686 -1.396 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.549 -6.218 -3.394 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.926 -6.276 -2.665 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.275 -7.212 -4.138 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.046 -8.236 -3.270 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.765 -9.215 -4.025 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.467 -9.715 -2.468 1.00 0.00 H new ATOM 1614 N VAL A 108 -1.466 -10.554 -3.800 1.00 0.00 N ATOM 1615 CA VAL A 108 -0.896 -10.981 -5.099 1.00 0.00 C ATOM 1616 C VAL A 108 -1.901 -10.612 -6.202 1.00 0.00 C ATOM 1617 O VAL A 108 -2.840 -11.336 -6.471 1.00 0.00 O ATOM 1618 CB VAL A 108 -0.669 -12.501 -5.101 1.00 0.00 C ATOM 1619 CG1 VAL A 108 0.734 -12.821 -5.616 1.00 0.00 C ATOM 1620 CG2 VAL A 108 -0.829 -13.045 -3.679 1.00 0.00 C ATOM 0 H VAL A 108 -1.982 -11.269 -3.287 1.00 0.00 H new ATOM 0 HA VAL A 108 0.060 -10.486 -5.269 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.404 -12.969 -5.756 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.885 -13.900 -5.614 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.844 -12.442 -6.632 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.475 -12.350 -4.970 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.668 -14.123 -3.682 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.099 -12.570 -3.024 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.835 -12.829 -3.318 1.00 0.00 H new ATOM 1630 N LYS A 109 -1.727 -9.486 -6.830 1.00 0.00 N ATOM 1631 CA LYS A 109 -2.685 -9.074 -7.897 1.00 0.00 C ATOM 1632 C LYS A 109 -2.755 -10.177 -8.972 1.00 0.00 C ATOM 1633 O LYS A 109 -1.795 -10.904 -9.139 1.00 0.00 O ATOM 1634 CB LYS A 109 -2.182 -7.761 -8.513 1.00 0.00 C ATOM 1635 CG LYS A 109 -1.326 -8.043 -9.755 1.00 0.00 C ATOM 1636 CD LYS A 109 -0.510 -6.795 -10.105 1.00 0.00 C ATOM 1637 CE LYS A 109 -0.506 -6.586 -11.621 1.00 0.00 C ATOM 1638 NZ LYS A 109 0.279 -5.363 -11.947 1.00 0.00 N ATOM 0 H LYS A 109 -0.965 -8.832 -6.653 1.00 0.00 H new ATOM 0 HA LYS A 109 -3.683 -8.927 -7.483 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -3.030 -7.131 -8.784 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.596 -7.209 -7.778 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.660 -8.885 -9.568 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.964 -8.321 -10.594 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -0.934 -5.922 -9.609 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.512 -6.904 -9.741 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -0.072 -7.454 -12.118 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -1.527 -6.485 -11.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 0.284 -5.218 -12.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -0.154 -4.539 -11.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 1.256 -5.477 -11.609 1.00 0.00 H new ATOM 1652 N PRO A 110 -3.852 -10.266 -9.706 1.00 0.00 N ATOM 1653 CA PRO A 110 -5.056 -9.408 -9.550 1.00 0.00 C ATOM 1654 C PRO A 110 -5.857 -9.825 -8.307 1.00 0.00 C ATOM 1655 O PRO A 110 -5.631 -10.875 -7.738 1.00 0.00 O ATOM 1656 CB PRO A 110 -5.901 -9.702 -10.799 1.00 0.00 C ATOM 1657 CG PRO A 110 -5.151 -10.768 -11.636 1.00 0.00 C ATOM 1658 CD PRO A 110 -3.941 -11.232 -10.812 1.00 0.00 C ATOM 0 HA PRO A 110 -4.792 -8.356 -9.440 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.889 -10.064 -10.515 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -6.050 -8.793 -11.382 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.806 -11.609 -11.862 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.828 -10.350 -12.589 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -4.080 -12.247 -10.441 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -3.030 -11.233 -11.411 1.00 0.00 H new ATOM 1666 N PHE A 111 -6.801 -9.019 -7.892 1.00 0.00 N ATOM 1667 CA PHE A 111 -7.622 -9.388 -6.700 1.00 0.00 C ATOM 1668 C PHE A 111 -9.042 -8.866 -6.852 1.00 0.00 C ATOM 1669 O PHE A 111 -9.319 -7.980 -7.636 1.00 0.00 O ATOM 1670 CB PHE A 111 -7.036 -8.779 -5.420 1.00 0.00 C ATOM 1671 CG PHE A 111 -6.680 -7.329 -5.642 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -7.684 -6.351 -5.734 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -5.340 -6.961 -5.766 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -7.332 -5.016 -5.957 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -4.991 -5.626 -5.983 1.00 0.00 C ATOM 1676 CZ PHE A 111 -5.987 -4.653 -6.081 1.00 0.00 C ATOM 0 H PHE A 111 -7.038 -8.126 -8.324 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.620 -10.476 -6.630 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -7.757 -8.863 -4.607 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -6.149 -9.336 -5.118 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.723 -6.629 -5.633 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -4.568 -7.713 -5.694 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -8.102 -4.262 -6.034 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.952 -5.347 -6.075 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.719 -3.621 -6.252 1.00 0.00 H new ATOM 1686 N THR A 112 -9.928 -9.391 -6.062 1.00 0.00 N ATOM 1687 CA THR A 112 -11.338 -8.925 -6.084 1.00 0.00 C ATOM 1688 C THR A 112 -11.532 -8.013 -4.874 1.00 0.00 C ATOM 1689 O THR A 112 -10.918 -8.212 -3.845 1.00 0.00 O ATOM 1690 CB THR A 112 -12.282 -10.124 -5.983 1.00 0.00 C ATOM 1691 OG1 THR A 112 -11.590 -11.302 -6.370 1.00 0.00 O ATOM 1692 CG2 THR A 112 -13.483 -9.908 -6.904 1.00 0.00 C ATOM 0 H THR A 112 -9.733 -10.135 -5.391 1.00 0.00 H new ATOM 0 HA THR A 112 -11.556 -8.394 -7.010 1.00 0.00 H new ATOM 0 HB THR A 112 -12.630 -10.228 -4.955 1.00 0.00 H new ATOM 0 HG1 THR A 112 -12.193 -12.072 -6.304 1.00 0.00 H new ATOM 0 HG21 THR A 112 -14.155 -10.763 -6.832 1.00 0.00 H new ATOM 0 HG22 THR A 112 -14.013 -9.003 -6.605 1.00 0.00 H new ATOM 0 HG23 THR A 112 -13.138 -9.804 -7.933 1.00 0.00 H new ATOM 1700 N ALA A 113 -12.358 -7.010 -4.980 1.00 0.00 N ATOM 1701 CA ALA A 113 -12.552 -6.098 -3.817 1.00 0.00 C ATOM 1702 C ALA A 113 -12.765 -6.930 -2.558 1.00 0.00 C ATOM 1703 O ALA A 113 -12.373 -6.543 -1.475 1.00 0.00 O ATOM 1704 CB ALA A 113 -13.767 -5.198 -4.055 1.00 0.00 C ATOM 0 H ALA A 113 -12.902 -6.783 -5.812 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.668 -5.471 -3.696 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -13.902 -4.535 -3.200 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -13.609 -4.603 -4.955 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -14.657 -5.814 -4.180 1.00 0.00 H new ATOM 1710 N ALA A 114 -13.356 -8.083 -2.688 1.00 0.00 N ATOM 1711 CA ALA A 114 -13.552 -8.934 -1.490 1.00 0.00 C ATOM 1712 C ALA A 114 -12.184 -9.433 -1.041 1.00 0.00 C ATOM 1713 O ALA A 114 -11.895 -9.516 0.136 1.00 0.00 O ATOM 1714 CB ALA A 114 -14.460 -10.117 -1.830 1.00 0.00 C ATOM 0 H ALA A 114 -13.708 -8.468 -3.564 1.00 0.00 H new ATOM 0 HA ALA A 114 -14.025 -8.362 -0.692 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -14.598 -10.736 -0.944 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -15.428 -9.747 -2.169 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -14.002 -10.712 -2.620 1.00 0.00 H new ATOM 1720 N THR A 115 -11.323 -9.735 -1.975 1.00 0.00 N ATOM 1721 CA THR A 115 -9.963 -10.192 -1.597 1.00 0.00 C ATOM 1722 C THR A 115 -9.227 -9.002 -0.983 1.00 0.00 C ATOM 1723 O THR A 115 -8.948 -9.001 0.199 1.00 0.00 O ATOM 1724 CB THR A 115 -9.221 -10.707 -2.830 1.00 0.00 C ATOM 1725 OG1 THR A 115 -9.667 -12.024 -3.125 1.00 0.00 O ATOM 1726 CG2 THR A 115 -7.711 -10.731 -2.562 1.00 0.00 C ATOM 0 H THR A 115 -11.505 -9.684 -2.977 1.00 0.00 H new ATOM 0 HA THR A 115 -10.018 -11.009 -0.878 1.00 0.00 H new ATOM 0 HB THR A 115 -9.423 -10.047 -3.674 1.00 0.00 H new ATOM 0 HG1 THR A 115 -9.196 -12.359 -3.916 1.00 0.00 H new ATOM 0 HG21 THR A 115 -7.190 -11.099 -3.446 1.00 0.00 H new ATOM 0 HG22 THR A 115 -7.366 -9.723 -2.332 1.00 0.00 H new ATOM 0 HG23 THR A 115 -7.502 -11.388 -1.718 1.00 0.00 H new ATOM 1734 N LEU A 116 -8.920 -7.973 -1.758 1.00 0.00 N ATOM 1735 CA LEU A 116 -8.227 -6.799 -1.155 1.00 0.00 C ATOM 1736 C LEU A 116 -8.893 -6.450 0.181 1.00 0.00 C ATOM 1737 O LEU A 116 -8.232 -6.117 1.147 1.00 0.00 O ATOM 1738 CB LEU A 116 -8.336 -5.596 -2.093 1.00 0.00 C ATOM 1739 CG LEU A 116 -7.055 -4.756 -1.994 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -5.878 -5.506 -2.627 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -7.246 -3.422 -2.718 1.00 0.00 C ATOM 0 H LEU A 116 -9.118 -7.906 -2.756 1.00 0.00 H new ATOM 0 HA LEU A 116 -7.177 -7.044 -0.997 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.485 -5.933 -3.119 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -9.203 -4.991 -1.827 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.843 -4.574 -0.940 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.976 -4.899 -2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.725 -6.451 -2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -6.094 -5.703 -3.677 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -6.332 -2.833 -2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.473 -3.607 -3.768 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -8.070 -2.874 -2.260 1.00 0.00 H new ATOM 1753 N GLU A 117 -10.198 -6.529 0.247 1.00 0.00 N ATOM 1754 CA GLU A 117 -10.893 -6.205 1.518 1.00 0.00 C ATOM 1755 C GLU A 117 -10.455 -7.185 2.608 1.00 0.00 C ATOM 1756 O GLU A 117 -10.072 -6.795 3.692 1.00 0.00 O ATOM 1757 CB GLU A 117 -12.405 -6.309 1.316 1.00 0.00 C ATOM 1758 CG GLU A 117 -13.112 -6.119 2.659 1.00 0.00 C ATOM 1759 CD GLU A 117 -14.580 -5.762 2.418 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -14.990 -5.772 1.270 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -15.268 -5.483 3.386 1.00 0.00 O ATOM 0 H GLU A 117 -10.806 -6.803 -0.525 1.00 0.00 H new ATOM 0 HA GLU A 117 -10.636 -5.190 1.820 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.741 -5.553 0.606 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.660 -7.280 0.892 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -13.041 -7.031 3.251 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -12.624 -5.329 3.230 1.00 0.00 H new ATOM 1768 N GLU A 118 -10.512 -8.456 2.325 1.00 0.00 N ATOM 1769 CA GLU A 118 -10.103 -9.471 3.339 1.00 0.00 C ATOM 1770 C GLU A 118 -8.775 -9.054 3.974 1.00 0.00 C ATOM 1771 O GLU A 118 -8.677 -8.878 5.173 1.00 0.00 O ATOM 1772 CB GLU A 118 -9.938 -10.832 2.658 1.00 0.00 C ATOM 1773 CG GLU A 118 -9.544 -11.882 3.701 1.00 0.00 C ATOM 1774 CD GLU A 118 -9.671 -13.279 3.092 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -9.979 -13.366 1.914 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -9.460 -14.240 3.813 1.00 0.00 O ATOM 0 H GLU A 118 -10.825 -8.838 1.433 1.00 0.00 H new ATOM 0 HA GLU A 118 -10.868 -9.541 4.112 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -10.868 -11.121 2.169 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -9.176 -10.772 1.881 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -8.521 -11.711 4.036 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -10.185 -11.797 4.579 1.00 0.00 H new ATOM 1783 N LYS A 119 -7.753 -8.896 3.181 1.00 0.00 N ATOM 1784 CA LYS A 119 -6.432 -8.489 3.738 1.00 0.00 C ATOM 1785 C LYS A 119 -6.622 -7.283 4.661 1.00 0.00 C ATOM 1786 O LYS A 119 -5.992 -7.172 5.694 1.00 0.00 O ATOM 1787 CB LYS A 119 -5.493 -8.107 2.588 1.00 0.00 C ATOM 1788 CG LYS A 119 -4.224 -8.965 2.634 1.00 0.00 C ATOM 1789 CD LYS A 119 -4.557 -10.406 2.230 1.00 0.00 C ATOM 1790 CE LYS A 119 -4.256 -10.615 0.743 1.00 0.00 C ATOM 1791 NZ LYS A 119 -5.125 -9.719 -0.069 1.00 0.00 N ATOM 0 H LYS A 119 -7.775 -9.031 2.170 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.001 -9.316 4.302 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.000 -8.246 1.633 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.230 -7.052 2.659 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.471 -8.554 1.961 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.798 -8.948 3.637 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -3.973 -11.105 2.829 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -5.608 -10.615 2.430 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.206 -10.403 0.540 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -4.430 -11.655 0.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -5.291 -10.148 -1.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -6.035 -9.584 0.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -4.657 -8.798 -0.190 1.00 0.00 H new ATOM 1805 N LEU A 120 -7.484 -6.375 4.292 1.00 0.00 N ATOM 1806 CA LEU A 120 -7.712 -5.172 5.143 1.00 0.00 C ATOM 1807 C LEU A 120 -8.203 -5.602 6.530 1.00 0.00 C ATOM 1808 O LEU A 120 -7.819 -5.038 7.535 1.00 0.00 O ATOM 1809 CB LEU A 120 -8.772 -4.280 4.482 1.00 0.00 C ATOM 1810 CG LEU A 120 -8.311 -2.818 4.469 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -7.351 -2.590 3.298 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -9.531 -1.908 4.301 1.00 0.00 C ATOM 0 H LEU A 120 -8.040 -6.414 3.438 1.00 0.00 H new ATOM 0 HA LEU A 120 -6.778 -4.621 5.248 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -8.956 -4.618 3.462 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -9.715 -4.365 5.021 1.00 0.00 H new ATOM 0 HG LEU A 120 -7.802 -2.590 5.406 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -7.025 -1.550 3.292 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -6.484 -3.241 3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -7.860 -2.817 2.361 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -9.209 -0.867 4.291 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -10.033 -2.142 3.362 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -10.220 -2.067 5.130 1.00 0.00 H new ATOM 1824 N ASN A 121 -9.053 -6.590 6.592 1.00 0.00 N ATOM 1825 CA ASN A 121 -9.571 -7.044 7.915 1.00 0.00 C ATOM 1826 C ASN A 121 -8.460 -7.753 8.694 1.00 0.00 C ATOM 1827 O ASN A 121 -8.400 -7.688 9.905 1.00 0.00 O ATOM 1828 CB ASN A 121 -10.735 -8.012 7.701 1.00 0.00 C ATOM 1829 CG ASN A 121 -11.876 -7.660 8.659 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -12.582 -6.694 8.451 1.00 0.00 O ATOM 1831 ND2 ASN A 121 -12.086 -8.409 9.706 1.00 0.00 N ATOM 0 H ASN A 121 -9.411 -7.102 5.786 1.00 0.00 H new ATOM 0 HA ASN A 121 -9.912 -6.178 8.482 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -11.082 -7.957 6.669 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -10.406 -9.037 7.872 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -12.844 -8.184 10.351 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -11.493 -9.220 9.880 1.00 0.00 H new ATOM 1838 N LYS A 122 -7.582 -8.433 8.010 1.00 0.00 N ATOM 1839 CA LYS A 122 -6.481 -9.149 8.714 1.00 0.00 C ATOM 1840 C LYS A 122 -5.474 -8.135 9.263 1.00 0.00 C ATOM 1841 O LYS A 122 -4.772 -8.396 10.218 1.00 0.00 O ATOM 1842 CB LYS A 122 -5.774 -10.086 7.733 1.00 0.00 C ATOM 1843 CG LYS A 122 -6.381 -11.486 7.839 1.00 0.00 C ATOM 1844 CD LYS A 122 -5.837 -12.366 6.711 1.00 0.00 C ATOM 1845 CE LYS A 122 -6.577 -13.705 6.708 1.00 0.00 C ATOM 1846 NZ LYS A 122 -6.573 -14.278 8.084 1.00 0.00 N ATOM 0 H LYS A 122 -7.579 -8.524 6.994 1.00 0.00 H new ATOM 0 HA LYS A 122 -6.897 -9.728 9.538 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -5.877 -9.709 6.715 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -4.707 -10.123 7.953 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -6.139 -11.926 8.806 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -7.468 -11.428 7.777 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -5.964 -11.866 5.751 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -4.768 -12.529 6.846 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -7.602 -13.566 6.364 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -6.098 -14.396 6.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -6.588 -15.316 8.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -5.715 -13.971 8.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -7.413 -13.947 8.600 1.00 0.00 H new ATOM 1860 N ILE A 123 -5.398 -6.980 8.662 1.00 0.00 N ATOM 1861 CA ILE A 123 -4.436 -5.948 9.142 1.00 0.00 C ATOM 1862 C ILE A 123 -5.115 -5.067 10.191 1.00 0.00 C ATOM 1863 O ILE A 123 -4.490 -4.598 11.121 1.00 0.00 O ATOM 1864 CB ILE A 123 -4.003 -5.083 7.953 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -3.180 -5.937 6.985 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -3.153 -3.896 8.430 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -3.018 -5.198 5.656 1.00 0.00 C ATOM 0 H ILE A 123 -5.962 -6.706 7.857 1.00 0.00 H new ATOM 0 HA ILE A 123 -3.566 -6.431 9.586 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.892 -4.699 7.454 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.201 -6.151 7.415 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -3.672 -6.896 6.822 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -2.855 -3.294 7.572 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -3.736 -3.284 9.118 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -2.263 -4.267 8.939 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -2.432 -5.809 4.969 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -4.000 -5.007 5.224 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -2.506 -4.251 5.826 1.00 0.00 H new ATOM 1879 N PHE A 124 -6.381 -4.817 10.034 1.00 0.00 N ATOM 1880 CA PHE A 124 -7.087 -3.942 11.003 1.00 0.00 C ATOM 1881 C PHE A 124 -7.509 -4.743 12.228 1.00 0.00 C ATOM 1882 O PHE A 124 -8.202 -4.245 13.093 1.00 0.00 O ATOM 1883 CB PHE A 124 -8.297 -3.323 10.314 1.00 0.00 C ATOM 1884 CG PHE A 124 -7.876 -2.271 9.290 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -6.527 -2.083 8.893 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -8.870 -1.470 8.730 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -6.209 -1.102 7.951 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -8.542 -0.492 7.787 1.00 0.00 C ATOM 1889 CZ PHE A 124 -7.217 -0.309 7.402 1.00 0.00 C ATOM 0 H PHE A 124 -6.958 -5.181 9.276 1.00 0.00 H new ATOM 0 HA PHE A 124 -6.420 -3.148 11.340 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -8.875 -4.104 9.820 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -8.949 -2.867 11.059 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -5.747 -2.697 9.318 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -9.900 -1.606 9.027 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -5.183 -0.957 7.648 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -9.318 0.123 7.356 1.00 0.00 H new ATOM 0 HZ PHE A 124 -6.968 0.450 6.675 1.00 0.00 H new ATOM 1899 N GLU A 125 -7.062 -5.960 12.343 1.00 0.00 N ATOM 1900 CA GLU A 125 -7.409 -6.745 13.552 1.00 0.00 C ATOM 1901 C GLU A 125 -6.539 -6.205 14.682 1.00 0.00 C ATOM 1902 O GLU A 125 -6.884 -6.264 15.845 1.00 0.00 O ATOM 1903 CB GLU A 125 -7.120 -8.232 13.314 1.00 0.00 C ATOM 1904 CG GLU A 125 -7.335 -9.028 14.607 1.00 0.00 C ATOM 1905 CD GLU A 125 -8.756 -8.798 15.128 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -9.665 -8.758 14.314 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -8.911 -8.667 16.330 1.00 0.00 O ATOM 0 H GLU A 125 -6.477 -6.440 11.659 1.00 0.00 H new ATOM 0 HA GLU A 125 -8.467 -6.653 13.797 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -7.773 -8.616 12.530 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -6.095 -8.359 12.966 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -7.173 -10.090 14.422 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -6.608 -8.721 15.359 1.00 0.00 H new ATOM 1914 N LYS A 126 -5.417 -5.641 14.322 1.00 0.00 N ATOM 1915 CA LYS A 126 -4.507 -5.044 15.332 1.00 0.00 C ATOM 1916 C LYS A 126 -4.775 -3.539 15.358 1.00 0.00 C ATOM 1917 O LYS A 126 -4.600 -2.879 16.364 1.00 0.00 O ATOM 1918 CB LYS A 126 -3.052 -5.306 14.931 1.00 0.00 C ATOM 1919 CG LYS A 126 -2.113 -4.872 16.065 1.00 0.00 C ATOM 1920 CD LYS A 126 -1.847 -6.054 17.004 1.00 0.00 C ATOM 1921 CE LYS A 126 -0.826 -5.648 18.072 1.00 0.00 C ATOM 1922 NZ LYS A 126 -0.717 -4.163 18.131 1.00 0.00 N ATOM 0 H LYS A 126 -5.092 -5.570 13.358 1.00 0.00 H new ATOM 0 HA LYS A 126 -4.679 -5.481 16.316 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -2.910 -6.365 14.714 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -2.813 -4.759 14.019 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -1.173 -4.507 15.651 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -2.558 -4.047 16.622 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -2.776 -6.370 17.478 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -1.473 -6.905 16.435 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -1.129 -6.038 19.044 1.00 0.00 H new ATOM 0 HE3 LYS A 126 0.146 -6.084 17.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -0.061 -3.893 18.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -0.360 -3.805 17.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -1.654 -3.753 18.320 1.00 0.00 H new ATOM 1936 N LEU A 127 -5.217 -2.998 14.253 1.00 0.00 N ATOM 1937 CA LEU A 127 -5.520 -1.543 14.199 1.00 0.00 C ATOM 1938 C LEU A 127 -6.928 -1.315 14.758 1.00 0.00 C ATOM 1939 O LEU A 127 -7.259 -0.237 15.210 1.00 0.00 O ATOM 1940 CB LEU A 127 -5.448 -1.043 12.748 1.00 0.00 C ATOM 1941 CG LEU A 127 -4.894 0.385 12.730 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -3.374 0.356 12.917 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -5.228 1.046 11.391 1.00 0.00 C ATOM 0 H LEU A 127 -5.381 -3.506 13.384 1.00 0.00 H new ATOM 0 HA LEU A 127 -4.790 -0.992 14.792 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -4.810 -1.700 12.156 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -6.439 -1.067 12.294 1.00 0.00 H new ATOM 0 HG LEU A 127 -5.346 0.954 13.542 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -2.986 1.375 12.903 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -3.134 -0.111 13.872 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -2.919 -0.216 12.109 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -4.834 2.062 11.378 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -4.779 0.472 10.580 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -6.310 1.075 11.259 1.00 0.00 H new ATOM 1955 N GLY A 128 -7.754 -2.333 14.743 1.00 0.00 N ATOM 1956 CA GLY A 128 -9.137 -2.188 15.283 1.00 0.00 C ATOM 1957 C GLY A 128 -9.752 -0.873 14.803 1.00 0.00 C ATOM 1958 O GLY A 128 -9.704 0.130 15.486 1.00 0.00 O ATOM 0 H GLY A 128 -7.527 -3.258 14.379 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -9.753 -3.027 14.958 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -9.115 -2.212 16.373 1.00 0.00 H new ATOM 1962 N MET A 129 -10.333 -0.871 13.636 1.00 0.00 N ATOM 1963 CA MET A 129 -10.955 0.380 13.116 1.00 0.00 C ATOM 1964 C MET A 129 -12.438 0.405 13.491 1.00 0.00 C ATOM 1965 O MET A 129 -13.221 -0.189 12.769 1.00 0.00 O ATOM 1966 CB MET A 129 -10.813 0.428 11.595 1.00 0.00 C ATOM 1967 CG MET A 129 -9.601 1.283 11.222 1.00 0.00 C ATOM 1968 SD MET A 129 -10.012 3.034 11.424 1.00 0.00 S ATOM 1969 CE MET A 129 -8.316 3.660 11.476 1.00 0.00 C ATOM 1970 OXT MET A 129 -12.766 1.017 14.494 1.00 0.00 O ATOM 0 H MET A 129 -10.404 -1.681 13.020 1.00 0.00 H new ATOM 0 HA MET A 129 -10.454 1.243 13.554 1.00 0.00 H new ATOM 0 HB2 MET A 129 -10.696 -0.580 11.198 1.00 0.00 H new ATOM 0 HB3 MET A 129 -11.716 0.844 11.148 1.00 0.00 H new ATOM 0 HG2 MET A 129 -8.751 1.023 11.853 1.00 0.00 H new ATOM 0 HG3 MET A 129 -9.306 1.084 10.192 1.00 0.00 H new ATOM 0 HE1 MET A 129 -8.331 4.743 11.598 1.00 0.00 H new ATOM 0 HE2 MET A 129 -7.787 3.208 12.315 1.00 0.00 H new ATOM 0 HE3 MET A 129 -7.806 3.407 10.546 1.00 0.00 H new TER 1980 MET A 129