USER MOD reduce.3.24.130724 H: found=0, std=0, add=912, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 915 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 Single : A 1 TYR N :NH3+ -148:sc= 1.78 (180deg=1.05) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.00281 USER MOD Single : A 9 MET CE :methyl 131:sc= -0.76 (180deg=-2.56!) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.582 X(o=-0.58,f=-0.14) USER MOD Single : A 16 TYR OH : rot 50:sc= -2.86! USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 66:sc= -0.359 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 141:sc= 1.79 USER MOD Single : A 24 MET CE :methyl -167:sc= -0.0556 (180deg=-0.327) USER MOD Single : A 25 SER OG : rot 157:sc= 1.23 USER MOD Single : A 30 GLN : amide:sc= 1.34 K(o=1.3,f=-8!) USER MOD Single : A 34 SER OG : rot -115:sc= 0.217 USER MOD Single : A 35 GLN : amide:sc= 0.377 X(o=0.38,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS :FLIP no HD1:sc= -1.35 F(o=-2.3!,f=-1.3) USER MOD Single : A 40 HIS : no HD1:sc= -0.105 K(o=-0.11,f=-2.9!) USER MOD Single : A 42 TYR OH : rot 150:sc= 2.26 USER MOD Single : A 45 SER OG : rot 180:sc= -0.318 USER MOD Single : A 46 LYS NZ :NH3+ 146:sc= 1.23 (180deg=1.15) USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 50 LYS NZ :NH3+ -143:sc= 2.18 (180deg=1.1) USER MOD Single : A 51 ASN : amide:sc= -0.192 K(o=-0.19,f=-2.7) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN :FLIP amide:sc= -1.24 F(o=-2.4!,f=-1.2) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.0739 K(o=-0.074,f=-12!) USER MOD Single : A 70 THR OG1 : rot -70:sc= 0.00261 USER MOD Single : A 71 THR OG1 : rot -37:sc= 0.267 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 75 LYS NZ :NH3+ 179:sc= 0.572 (180deg=0.562) USER MOD Single : A 79 TYR OH : rot 13:sc= 1.24 USER MOD Single : B 100 SER OG : rot 180:sc= 0 USER MOD Single : B 103 LYS NZ :NH3+ -169:sc= 1.28 (180deg=1.03) USER MOD Single : B 105 THR OG1 : rot 180:sc= 0 USER MOD Single : B 111 GLN : amide:sc= -0.0169 K(o=-0.017,f=-3!) USER MOD Single : B 114 LYS NZ :NH3+ 178:sc= 1.39 (180deg=1.38) USER MOD Single : B 115 ASN : amide:sc= -0.105 K(o=-0.11,f=-0.98) USER MOD Single : B 118 HIS : no HD1:sc= -1.15 K(o=-1.1,f=-6.6!) USER MOD Single : B 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 128 SER OG : rot 72:sc= 0.576 USER MOD Single : B 130 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 -7.129 28.234 -10.799 1.00 0.00 N ATOM 2 CA TYR A 1 -5.828 28.056 -10.171 1.00 0.00 C ATOM 3 C TYR A 1 -5.775 26.688 -9.532 1.00 0.00 C ATOM 4 O TYR A 1 -6.769 26.237 -8.956 1.00 0.00 O ATOM 5 CB TYR A 1 -5.519 29.206 -9.172 1.00 0.00 C ATOM 6 CG TYR A 1 -6.531 29.429 -8.064 1.00 0.00 C ATOM 7 CD1 TYR A 1 -7.682 30.177 -8.284 1.00 0.00 C ATOM 8 CD2 TYR A 1 -6.322 28.913 -6.796 1.00 0.00 C ATOM 9 CE1 TYR A 1 -8.591 30.399 -7.272 1.00 0.00 C ATOM 10 CE2 TYR A 1 -7.229 29.130 -5.781 1.00 0.00 C ATOM 11 CZ TYR A 1 -8.359 29.872 -6.022 1.00 0.00 C ATOM 12 OH TYR A 1 -9.270 30.088 -5.004 1.00 0.00 O ATOM 0 H1 TYR A 1 -7.029 28.838 -11.640 1.00 0.00 H new ATOM 0 H2 TYR A 1 -7.508 27.308 -11.081 1.00 0.00 H new ATOM 0 H3 TYR A 1 -7.781 28.684 -10.125 1.00 0.00 H new ATOM 0 HA TYR A 1 -5.043 28.108 -10.925 1.00 0.00 H new ATOM 0 HB2 TYR A 1 -4.550 29.009 -8.714 1.00 0.00 H new ATOM 0 HB3 TYR A 1 -5.422 30.133 -9.738 1.00 0.00 H new ATOM 0 HD1 TYR A 1 -7.867 30.591 -9.264 1.00 0.00 H new ATOM 0 HD2 TYR A 1 -5.434 28.331 -6.599 1.00 0.00 H new ATOM 0 HE1 TYR A 1 -9.480 30.983 -7.459 1.00 0.00 H new ATOM 0 HE2 TYR A 1 -7.051 28.718 -4.799 1.00 0.00 H new ATOM 0 HH TYR A 1 -8.957 29.647 -4.186 1.00 0.00 H new ATOM 24 N VAL A 2 -4.618 26.041 -9.634 1.00 0.00 N ATOM 25 CA VAL A 2 -4.418 24.648 -9.259 1.00 0.00 C ATOM 26 C VAL A 2 -5.312 23.790 -10.149 1.00 0.00 C ATOM 27 O VAL A 2 -6.403 23.338 -9.757 1.00 0.00 O ATOM 28 CB VAL A 2 -4.639 24.358 -7.740 1.00 0.00 C ATOM 29 CG1 VAL A 2 -4.325 22.900 -7.406 1.00 0.00 C ATOM 30 CG2 VAL A 2 -3.777 25.289 -6.897 1.00 0.00 C ATOM 0 H VAL A 2 -3.771 26.485 -9.990 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.370 24.395 -9.418 1.00 0.00 H new ATOM 0 HB VAL A 2 -5.689 24.539 -7.509 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -4.488 22.727 -6.342 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.978 22.246 -7.984 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -3.285 22.686 -7.654 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.939 25.078 -5.840 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -2.726 25.132 -7.141 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.048 26.324 -7.106 1.00 0.00 H new ATOM 40 N GLU A 3 -4.884 23.657 -11.390 1.00 0.00 N ATOM 41 CA GLU A 3 -5.676 22.995 -12.391 1.00 0.00 C ATOM 42 C GLU A 3 -5.360 21.517 -12.521 1.00 0.00 C ATOM 43 O GLU A 3 -6.083 20.780 -13.194 1.00 0.00 O ATOM 44 CB GLU A 3 -5.576 23.714 -13.736 1.00 0.00 C ATOM 45 CG GLU A 3 -6.064 25.158 -13.693 1.00 0.00 C ATOM 46 CD GLU A 3 -7.457 25.276 -13.123 1.00 0.00 C ATOM 47 OE1 GLU A 3 -8.377 24.596 -13.624 1.00 0.00 O ATOM 48 OE2 GLU A 3 -7.663 26.051 -12.170 1.00 0.00 O ATOM 0 H GLU A 3 -3.985 24.004 -11.724 1.00 0.00 H new ATOM 0 HA GLU A 3 -6.711 23.050 -12.053 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -4.539 23.699 -14.070 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.157 23.165 -14.477 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.377 25.754 -13.092 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -6.050 25.574 -14.700 1.00 0.00 H new ATOM 55 N PHE A 4 -4.288 21.081 -11.919 1.00 0.00 N ATOM 56 CA PHE A 4 -3.965 19.684 -11.906 1.00 0.00 C ATOM 57 C PHE A 4 -4.783 18.969 -10.831 1.00 0.00 C ATOM 58 O PHE A 4 -5.094 19.554 -9.795 1.00 0.00 O ATOM 59 CB PHE A 4 -2.447 19.457 -11.760 1.00 0.00 C ATOM 60 CG PHE A 4 -1.767 20.262 -10.684 1.00 0.00 C ATOM 61 CD1 PHE A 4 -1.856 19.896 -9.358 1.00 0.00 C ATOM 62 CD2 PHE A 4 -1.020 21.378 -11.015 1.00 0.00 C ATOM 63 CE1 PHE A 4 -1.218 20.628 -8.382 1.00 0.00 C ATOM 64 CE2 PHE A 4 -0.381 22.116 -10.042 1.00 0.00 C ATOM 65 CZ PHE A 4 -0.481 21.740 -8.723 1.00 0.00 C ATOM 0 H PHE A 4 -3.621 21.678 -11.429 1.00 0.00 H new ATOM 0 HA PHE A 4 -4.238 19.247 -12.866 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -2.274 18.399 -11.561 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.971 19.684 -12.714 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -2.432 19.026 -9.082 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.936 21.675 -12.050 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.296 20.329 -7.347 1.00 0.00 H new ATOM 0 HE2 PHE A 4 0.197 22.987 -10.315 1.00 0.00 H new ATOM 0 HZ PHE A 4 0.017 22.315 -7.957 1.00 0.00 H new ATOM 75 N SER A 5 -5.144 17.731 -11.096 1.00 0.00 N ATOM 76 CA SER A 5 -6.006 16.965 -10.216 1.00 0.00 C ATOM 77 C SER A 5 -5.311 16.561 -8.916 1.00 0.00 C ATOM 78 O SER A 5 -5.965 16.362 -7.882 1.00 0.00 O ATOM 79 CB SER A 5 -6.539 15.739 -10.964 1.00 0.00 C ATOM 80 OG SER A 5 -5.471 14.975 -11.541 1.00 0.00 O ATOM 0 H SER A 5 -4.848 17.225 -11.930 1.00 0.00 H new ATOM 0 HA SER A 5 -6.840 17.603 -9.925 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.109 15.112 -10.279 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.225 16.059 -11.748 1.00 0.00 H new ATOM 0 HG SER A 5 -5.841 14.198 -12.010 1.00 0.00 H new ATOM 86 N GLU A 6 -4.001 16.455 -8.964 1.00 0.00 N ATOM 87 CA GLU A 6 -3.216 16.071 -7.812 1.00 0.00 C ATOM 88 C GLU A 6 -2.943 17.275 -6.925 1.00 0.00 C ATOM 89 O GLU A 6 -1.854 17.844 -6.931 1.00 0.00 O ATOM 90 CB GLU A 6 -1.925 15.394 -8.260 1.00 0.00 C ATOM 91 CG GLU A 6 -2.164 14.080 -8.983 1.00 0.00 C ATOM 92 CD GLU A 6 -0.994 13.662 -9.821 1.00 0.00 C ATOM 93 OE1 GLU A 6 -0.085 12.997 -9.323 1.00 0.00 O ATOM 94 OE2 GLU A 6 -0.980 13.998 -11.026 1.00 0.00 O ATOM 0 H GLU A 6 -3.450 16.633 -9.804 1.00 0.00 H new ATOM 0 HA GLU A 6 -3.782 15.353 -7.219 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.376 16.069 -8.917 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -1.295 15.214 -7.389 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -2.379 13.301 -8.252 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -3.045 14.174 -9.617 1.00 0.00 H new ATOM 101 N GLU A 7 -3.965 17.687 -6.218 1.00 0.00 N ATOM 102 CA GLU A 7 -3.889 18.818 -5.331 1.00 0.00 C ATOM 103 C GLU A 7 -3.166 18.402 -4.077 1.00 0.00 C ATOM 104 O GLU A 7 -2.043 18.839 -3.814 1.00 0.00 O ATOM 105 CB GLU A 7 -5.291 19.309 -4.979 1.00 0.00 C ATOM 106 CG GLU A 7 -6.148 19.664 -6.172 1.00 0.00 C ATOM 107 CD GLU A 7 -7.550 20.007 -5.767 1.00 0.00 C ATOM 108 OE1 GLU A 7 -7.832 21.191 -5.488 1.00 0.00 O ATOM 109 OE2 GLU A 7 -8.404 19.099 -5.720 1.00 0.00 O ATOM 0 H GLU A 7 -4.882 17.241 -6.243 1.00 0.00 H new ATOM 0 HA GLU A 7 -3.351 19.629 -5.821 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.798 18.537 -4.400 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.205 20.185 -4.336 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.705 20.509 -6.700 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -6.166 18.826 -6.869 1.00 0.00 H new ATOM 116 N CYS A 8 -3.817 17.567 -3.306 1.00 0.00 N ATOM 117 CA CYS A 8 -3.250 17.012 -2.114 1.00 0.00 C ATOM 118 C CYS A 8 -4.102 15.913 -1.586 1.00 0.00 C ATOM 119 O CYS A 8 -5.248 15.723 -2.021 1.00 0.00 O ATOM 120 CB CYS A 8 -3.018 18.057 -1.035 1.00 0.00 C ATOM 121 SG CYS A 8 -4.507 18.932 -0.504 1.00 0.00 S ATOM 0 H CYS A 8 -4.769 17.253 -3.496 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.275 16.610 -2.392 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -2.569 17.572 -0.168 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -2.296 18.786 -1.403 1.00 0.00 H new ATOM 126 N MET A 9 -3.534 15.172 -0.698 1.00 0.00 N ATOM 127 CA MET A 9 -4.232 14.115 -0.026 1.00 0.00 C ATOM 128 C MET A 9 -4.555 14.548 1.405 1.00 0.00 C ATOM 129 O MET A 9 -4.008 15.551 1.904 1.00 0.00 O ATOM 130 CB MET A 9 -3.403 12.836 -0.007 1.00 0.00 C ATOM 131 CG MET A 9 -4.152 11.551 -0.410 1.00 0.00 C ATOM 132 SD MET A 9 -5.682 11.196 0.529 1.00 0.00 S ATOM 133 CE MET A 9 -6.961 12.050 -0.427 1.00 0.00 C ATOM 0 H MET A 9 -2.561 15.279 -0.410 1.00 0.00 H new ATOM 0 HA MET A 9 -5.156 13.911 -0.567 1.00 0.00 H new ATOM 0 HB2 MET A 9 -2.553 12.965 -0.677 1.00 0.00 H new ATOM 0 HB3 MET A 9 -3.000 12.701 0.997 1.00 0.00 H new ATOM 0 HG2 MET A 9 -4.404 11.616 -1.468 1.00 0.00 H new ATOM 0 HG3 MET A 9 -3.473 10.706 -0.296 1.00 0.00 H new ATOM 0 HE1 MET A 9 -7.796 11.373 -0.604 1.00 0.00 H new ATOM 0 HE2 MET A 9 -7.311 12.920 0.129 1.00 0.00 H new ATOM 0 HE3 MET A 9 -6.547 12.372 -1.382 1.00 0.00 H new ATOM 143 N HIS A 10 -5.393 13.780 2.052 1.00 0.00 N ATOM 144 CA HIS A 10 -5.882 14.059 3.380 1.00 0.00 C ATOM 145 C HIS A 10 -5.202 13.124 4.373 1.00 0.00 C ATOM 146 O HIS A 10 -5.071 11.924 4.106 1.00 0.00 O ATOM 147 CB HIS A 10 -7.410 13.833 3.402 1.00 0.00 C ATOM 148 CG HIS A 10 -8.096 14.177 4.693 1.00 0.00 C ATOM 149 ND1 HIS A 10 -8.735 15.368 4.903 1.00 0.00 N ATOM 150 CD2 HIS A 10 -8.267 13.461 5.826 1.00 0.00 C ATOM 151 CE1 HIS A 10 -9.267 15.379 6.096 1.00 0.00 C ATOM 152 NE2 HIS A 10 -8.997 14.232 6.683 1.00 0.00 N ATOM 0 H HIS A 10 -5.766 12.916 1.658 1.00 0.00 H new ATOM 0 HA HIS A 10 -5.661 15.090 3.656 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -7.859 14.424 2.604 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -7.608 12.786 3.173 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -7.896 12.465 6.017 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -9.833 16.192 6.528 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -9.286 13.964 7.624 1.00 0.00 H new ATOM 161 N GLY A 11 -4.817 13.668 5.506 1.00 0.00 N ATOM 162 CA GLY A 11 -4.166 12.913 6.555 1.00 0.00 C ATOM 163 C GLY A 11 -2.830 12.365 6.121 1.00 0.00 C ATOM 164 O GLY A 11 -1.919 13.115 5.776 1.00 0.00 O ATOM 0 H GLY A 11 -4.948 14.655 5.728 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.028 13.552 7.427 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.812 12.090 6.861 1.00 0.00 H new ATOM 168 N SER A 12 -2.716 11.065 6.153 1.00 0.00 N ATOM 169 CA SER A 12 -1.542 10.378 5.697 1.00 0.00 C ATOM 170 C SER A 12 -1.795 9.836 4.285 1.00 0.00 C ATOM 171 O SER A 12 -0.896 9.298 3.638 1.00 0.00 O ATOM 172 CB SER A 12 -1.226 9.226 6.648 1.00 0.00 C ATOM 173 OG SER A 12 -1.171 9.686 7.987 1.00 0.00 O ATOM 0 H SER A 12 -3.448 10.446 6.502 1.00 0.00 H new ATOM 0 HA SER A 12 -0.695 11.064 5.675 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.987 8.451 6.555 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.274 8.772 6.374 1.00 0.00 H new ATOM 0 HG SER A 12 -0.969 8.935 8.583 1.00 0.00 H new ATOM 179 N GLY A 13 -3.021 9.993 3.816 1.00 0.00 N ATOM 180 CA GLY A 13 -3.384 9.515 2.510 1.00 0.00 C ATOM 181 C GLY A 13 -4.238 8.276 2.567 1.00 0.00 C ATOM 182 O GLY A 13 -4.443 7.616 1.559 1.00 0.00 O ATOM 0 H GLY A 13 -3.777 10.449 4.327 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.921 10.299 1.976 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.480 9.303 1.940 1.00 0.00 H new ATOM 186 N GLU A 14 -4.734 7.955 3.746 1.00 0.00 N ATOM 187 CA GLU A 14 -5.589 6.779 3.936 1.00 0.00 C ATOM 188 C GLU A 14 -6.940 6.986 3.227 1.00 0.00 C ATOM 189 O GLU A 14 -7.587 6.040 2.771 1.00 0.00 O ATOM 190 CB GLU A 14 -5.803 6.493 5.439 1.00 0.00 C ATOM 191 CG GLU A 14 -6.461 5.151 5.711 1.00 0.00 C ATOM 192 CD GLU A 14 -6.768 4.896 7.165 1.00 0.00 C ATOM 193 OE1 GLU A 14 -7.775 5.413 7.669 1.00 0.00 O ATOM 194 OE2 GLU A 14 -6.051 4.112 7.819 1.00 0.00 O ATOM 0 H GLU A 14 -4.563 8.490 4.597 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.091 5.915 3.496 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.840 6.527 5.948 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.418 7.284 5.868 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.387 5.091 5.140 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.809 4.358 5.345 1.00 0.00 H new ATOM 201 N ASN A 15 -7.316 8.244 3.089 1.00 0.00 N ATOM 202 CA ASN A 15 -8.580 8.645 2.461 1.00 0.00 C ATOM 203 C ASN A 15 -8.438 8.675 0.919 1.00 0.00 C ATOM 204 O ASN A 15 -9.341 9.113 0.194 1.00 0.00 O ATOM 205 CB ASN A 15 -8.955 10.058 2.972 1.00 0.00 C ATOM 206 CG ASN A 15 -10.320 10.547 2.573 1.00 0.00 C ATOM 207 OD1 ASN A 15 -10.506 11.732 2.287 1.00 0.00 O ATOM 208 ND2 ASN A 15 -11.289 9.700 2.634 1.00 0.00 N ATOM 0 H ASN A 15 -6.753 9.031 3.410 1.00 0.00 H new ATOM 0 HA ASN A 15 -9.357 7.926 2.721 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -8.890 10.061 4.060 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -8.212 10.767 2.606 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -12.244 10.003 2.443 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -11.101 8.726 2.874 1.00 0.00 H new ATOM 215 N TYR A 16 -7.316 8.205 0.423 1.00 0.00 N ATOM 216 CA TYR A 16 -7.047 8.262 -0.992 1.00 0.00 C ATOM 217 C TYR A 16 -7.728 7.142 -1.757 1.00 0.00 C ATOM 218 O TYR A 16 -7.560 5.958 -1.448 1.00 0.00 O ATOM 219 CB TYR A 16 -5.531 8.263 -1.271 1.00 0.00 C ATOM 220 CG TYR A 16 -5.152 8.391 -2.738 1.00 0.00 C ATOM 221 CD1 TYR A 16 -5.293 9.597 -3.411 1.00 0.00 C ATOM 222 CD2 TYR A 16 -4.652 7.309 -3.440 1.00 0.00 C ATOM 223 CE1 TYR A 16 -4.950 9.716 -4.744 1.00 0.00 C ATOM 224 CE2 TYR A 16 -4.302 7.415 -4.776 1.00 0.00 C ATOM 225 CZ TYR A 16 -4.455 8.622 -5.420 1.00 0.00 C ATOM 226 OH TYR A 16 -4.128 8.730 -6.745 1.00 0.00 O ATOM 0 H TYR A 16 -6.576 7.779 0.981 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.468 9.201 -1.351 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.075 9.085 -0.720 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.103 7.340 -0.879 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.678 10.457 -2.883 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.532 6.362 -2.936 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.069 10.661 -5.253 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -3.913 6.559 -5.307 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.557 9.515 -6.878 1.00 0.00 H new ATOM 236 N ASP A 17 -8.511 7.537 -2.716 1.00 0.00 N ATOM 237 CA ASP A 17 -9.093 6.656 -3.700 1.00 0.00 C ATOM 238 C ASP A 17 -8.901 7.295 -5.043 1.00 0.00 C ATOM 239 O ASP A 17 -9.763 8.006 -5.555 1.00 0.00 O ATOM 240 CB ASP A 17 -10.578 6.315 -3.459 1.00 0.00 C ATOM 241 CG ASP A 17 -11.188 5.557 -4.648 1.00 0.00 C ATOM 242 OD1 ASP A 17 -10.679 4.481 -5.022 1.00 0.00 O ATOM 243 OD2 ASP A 17 -12.148 6.069 -5.271 1.00 0.00 O ATOM 0 H ASP A 17 -8.775 8.514 -2.844 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.584 5.694 -3.632 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.671 5.711 -2.556 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.139 7.234 -3.287 1.00 0.00 H new ATOM 248 N GLY A 18 -7.708 7.184 -5.514 1.00 0.00 N ATOM 249 CA GLY A 18 -7.353 7.723 -6.780 1.00 0.00 C ATOM 250 C GLY A 18 -7.092 6.636 -7.753 1.00 0.00 C ATOM 251 O GLY A 18 -7.132 5.452 -7.393 1.00 0.00 O ATOM 0 H GLY A 18 -6.945 6.713 -5.028 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.155 8.363 -7.147 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.467 8.349 -6.679 1.00 0.00 H new ATOM 255 N LYS A 19 -6.844 6.998 -8.969 1.00 0.00 N ATOM 256 CA LYS A 19 -6.524 6.041 -9.970 1.00 0.00 C ATOM 257 C LYS A 19 -5.038 5.990 -10.251 1.00 0.00 C ATOM 258 O LYS A 19 -4.594 5.347 -11.218 1.00 0.00 O ATOM 259 CB LYS A 19 -7.335 6.266 -11.221 1.00 0.00 C ATOM 260 CG LYS A 19 -8.807 6.115 -10.959 1.00 0.00 C ATOM 261 CD LYS A 19 -9.587 6.067 -12.240 1.00 0.00 C ATOM 262 CE LYS A 19 -11.058 5.822 -11.983 1.00 0.00 C ATOM 263 NZ LYS A 19 -11.840 5.847 -13.228 1.00 0.00 N ATOM 0 H LYS A 19 -6.858 7.965 -9.294 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.797 5.059 -9.583 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.135 7.264 -11.611 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.026 5.556 -11.988 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.985 5.204 -10.388 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.157 6.947 -10.349 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.462 7.006 -12.779 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.191 5.277 -12.879 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -11.186 4.857 -11.493 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.439 6.580 -11.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -12.843 5.675 -13.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.738 6.776 -13.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.493 5.107 -13.871 1.00 0.00 H new ATOM 277 N ILE A 20 -4.254 6.642 -9.407 1.00 0.00 N ATOM 278 CA ILE A 20 -2.838 6.536 -9.513 1.00 0.00 C ATOM 279 C ILE A 20 -2.406 5.150 -9.189 1.00 0.00 C ATOM 280 O ILE A 20 -2.618 4.641 -8.103 1.00 0.00 O ATOM 281 CB ILE A 20 -2.075 7.632 -8.732 1.00 0.00 C ATOM 282 CG1 ILE A 20 -1.798 8.762 -9.684 1.00 0.00 C ATOM 283 CG2 ILE A 20 -0.778 7.131 -8.087 1.00 0.00 C ATOM 284 CD1 ILE A 20 -1.302 10.025 -9.022 1.00 0.00 C ATOM 0 H ILE A 20 -4.587 7.242 -8.652 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.564 6.730 -10.550 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.698 7.961 -7.900 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.058 8.434 -10.414 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.710 8.989 -10.235 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.295 7.951 -7.556 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.007 6.329 -7.385 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.108 6.755 -8.861 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.127 10.789 -9.780 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.049 10.382 -8.313 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.371 9.818 -8.494 1.00 0.00 H new ATOM 296 N SER A 21 -1.886 4.535 -10.175 1.00 0.00 N ATOM 297 CA SER A 21 -1.475 3.186 -10.099 1.00 0.00 C ATOM 298 C SER A 21 0.025 3.086 -10.247 1.00 0.00 C ATOM 299 O SER A 21 0.579 1.995 -10.326 1.00 0.00 O ATOM 300 CB SER A 21 -2.133 2.462 -11.232 1.00 0.00 C ATOM 301 OG SER A 21 -3.525 2.622 -11.202 1.00 0.00 O ATOM 0 H SER A 21 -1.728 4.965 -11.086 1.00 0.00 H new ATOM 0 HA SER A 21 -1.753 2.757 -9.136 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.743 2.834 -12.179 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.886 1.402 -11.180 1.00 0.00 H new ATOM 0 HG SER A 21 -3.750 3.561 -11.370 1.00 0.00 H new ATOM 307 N LYS A 22 0.683 4.223 -10.291 1.00 0.00 N ATOM 308 CA LYS A 22 2.104 4.248 -10.504 1.00 0.00 C ATOM 309 C LYS A 22 2.786 4.885 -9.318 1.00 0.00 C ATOM 310 O LYS A 22 2.274 5.856 -8.748 1.00 0.00 O ATOM 311 CB LYS A 22 2.436 4.899 -11.856 1.00 0.00 C ATOM 312 CG LYS A 22 1.803 4.107 -13.009 1.00 0.00 C ATOM 313 CD LYS A 22 1.988 4.725 -14.382 1.00 0.00 C ATOM 314 CE LYS A 22 3.426 4.710 -14.855 1.00 0.00 C ATOM 315 NZ LYS A 22 3.540 5.195 -16.242 1.00 0.00 N ATOM 0 H LYS A 22 0.252 5.141 -10.181 1.00 0.00 H new ATOM 0 HA LYS A 22 2.497 3.233 -10.571 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.071 5.926 -11.870 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.517 4.943 -11.989 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.228 3.103 -13.018 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.736 4.000 -12.815 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.370 4.187 -15.101 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.630 5.754 -14.361 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.033 5.333 -14.199 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.822 3.697 -14.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.537 5.173 -16.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.979 4.585 -16.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.184 6.171 -16.299 1.00 0.00 H new ATOM 329 N THR A 23 3.909 4.332 -8.939 1.00 0.00 N ATOM 330 CA THR A 23 4.565 4.681 -7.697 1.00 0.00 C ATOM 331 C THR A 23 5.401 5.960 -7.810 1.00 0.00 C ATOM 332 O THR A 23 5.315 6.701 -8.802 1.00 0.00 O ATOM 333 CB THR A 23 5.478 3.521 -7.304 1.00 0.00 C ATOM 334 OG1 THR A 23 6.397 3.286 -8.383 1.00 0.00 O ATOM 335 CG2 THR A 23 4.664 2.254 -7.042 1.00 0.00 C ATOM 0 H THR A 23 4.400 3.623 -9.483 1.00 0.00 H new ATOM 0 HA THR A 23 3.797 4.865 -6.946 1.00 0.00 H new ATOM 0 HB THR A 23 6.014 3.776 -6.390 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.282 3.073 -8.019 1.00 0.00 H new ATOM 0 HG21 THR A 23 5.335 1.441 -6.764 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.959 2.436 -6.231 1.00 0.00 H new ATOM 0 HG23 THR A 23 4.117 1.980 -7.944 1.00 0.00 H new ATOM 343 N MET A 24 6.204 6.215 -6.785 1.00 0.00 N ATOM 344 CA MET A 24 7.143 7.312 -6.760 1.00 0.00 C ATOM 345 C MET A 24 8.172 7.152 -7.884 1.00 0.00 C ATOM 346 O MET A 24 8.656 8.128 -8.427 1.00 0.00 O ATOM 347 CB MET A 24 7.835 7.389 -5.380 1.00 0.00 C ATOM 348 CG MET A 24 8.671 6.177 -5.012 1.00 0.00 C ATOM 349 SD MET A 24 9.313 6.221 -3.320 1.00 0.00 S ATOM 350 CE MET A 24 10.300 7.721 -3.356 1.00 0.00 C ATOM 0 H MET A 24 6.216 5.651 -5.936 1.00 0.00 H new ATOM 0 HA MET A 24 6.605 8.246 -6.923 1.00 0.00 H new ATOM 0 HB2 MET A 24 8.474 8.272 -5.360 1.00 0.00 H new ATOM 0 HB3 MET A 24 7.071 7.531 -4.615 1.00 0.00 H new ATOM 0 HG2 MET A 24 8.067 5.278 -5.139 1.00 0.00 H new ATOM 0 HG3 MET A 24 9.508 6.099 -5.706 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.936 7.759 -2.472 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.922 7.726 -4.251 1.00 0.00 H new ATOM 0 HE3 MET A 24 9.642 8.590 -3.367 1.00 0.00 H new ATOM 360 N SER A 25 8.463 5.910 -8.246 1.00 0.00 N ATOM 361 CA SER A 25 9.372 5.615 -9.316 1.00 0.00 C ATOM 362 C SER A 25 8.614 5.529 -10.639 1.00 0.00 C ATOM 363 O SER A 25 9.204 5.415 -11.718 1.00 0.00 O ATOM 364 CB SER A 25 10.051 4.312 -9.024 1.00 0.00 C ATOM 365 OG SER A 25 10.594 4.312 -7.708 1.00 0.00 O ATOM 0 H SER A 25 8.068 5.084 -7.797 1.00 0.00 H new ATOM 0 HA SER A 25 10.116 6.407 -9.398 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.339 3.493 -9.129 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.845 4.139 -9.750 1.00 0.00 H new ATOM 0 HG SER A 25 10.704 3.388 -7.399 1.00 0.00 H new ATOM 371 N GLY A 26 7.299 5.602 -10.539 1.00 0.00 N ATOM 372 CA GLY A 26 6.440 5.516 -11.683 1.00 0.00 C ATOM 373 C GLY A 26 6.262 4.104 -12.141 1.00 0.00 C ATOM 374 O GLY A 26 5.945 3.853 -13.299 1.00 0.00 O ATOM 0 H GLY A 26 6.805 5.723 -9.655 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.468 5.944 -11.440 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.856 6.112 -12.495 1.00 0.00 H new ATOM 378 N LEU A 27 6.470 3.181 -11.250 1.00 0.00 N ATOM 379 CA LEU A 27 6.277 1.808 -11.561 1.00 0.00 C ATOM 380 C LEU A 27 4.844 1.477 -11.365 1.00 0.00 C ATOM 381 O LEU A 27 4.155 2.141 -10.610 1.00 0.00 O ATOM 382 CB LEU A 27 7.130 0.926 -10.695 1.00 0.00 C ATOM 383 CG LEU A 27 8.651 0.997 -10.929 1.00 0.00 C ATOM 384 CD1 LEU A 27 9.396 0.114 -9.945 1.00 0.00 C ATOM 385 CD2 LEU A 27 8.989 0.583 -12.353 1.00 0.00 C ATOM 0 H LEU A 27 6.776 3.363 -10.294 1.00 0.00 H new ATOM 0 HA LEU A 27 6.569 1.634 -12.597 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.933 1.178 -9.653 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.810 -0.106 -10.840 1.00 0.00 H new ATOM 0 HG LEU A 27 8.965 2.029 -10.773 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.467 0.183 -10.133 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.184 0.443 -8.928 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.072 -0.920 -10.067 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.067 0.639 -12.502 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.651 -0.439 -12.525 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.491 1.252 -13.054 1.00 0.00 H new ATOM 397 N GLU A 28 4.400 0.476 -12.016 1.00 0.00 N ATOM 398 CA GLU A 28 3.020 0.127 -11.959 1.00 0.00 C ATOM 399 C GLU A 28 2.751 -0.796 -10.788 1.00 0.00 C ATOM 400 O GLU A 28 3.543 -1.710 -10.480 1.00 0.00 O ATOM 401 CB GLU A 28 2.565 -0.481 -13.271 1.00 0.00 C ATOM 402 CG GLU A 28 1.085 -0.770 -13.341 1.00 0.00 C ATOM 403 CD GLU A 28 0.687 -1.304 -14.675 1.00 0.00 C ATOM 404 OE1 GLU A 28 0.879 -2.512 -14.923 1.00 0.00 O ATOM 405 OE2 GLU A 28 0.192 -0.527 -15.512 1.00 0.00 O ATOM 0 H GLU A 28 4.972 -0.130 -12.605 1.00 0.00 H new ATOM 0 HA GLU A 28 2.438 1.035 -11.802 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.830 0.196 -14.083 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.113 -1.408 -13.438 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.818 -1.490 -12.567 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.526 0.143 -13.134 1.00 0.00 H new ATOM 412 N CYS A 29 1.675 -0.530 -10.128 1.00 0.00 N ATOM 413 CA CYS A 29 1.265 -1.275 -8.988 1.00 0.00 C ATOM 414 C CYS A 29 0.629 -2.607 -9.355 1.00 0.00 C ATOM 415 O CYS A 29 0.124 -2.809 -10.475 1.00 0.00 O ATOM 416 CB CYS A 29 0.315 -0.438 -8.125 1.00 0.00 C ATOM 417 SG CYS A 29 -0.358 -1.273 -6.651 1.00 0.00 S ATOM 0 H CYS A 29 1.041 0.231 -10.373 1.00 0.00 H new ATOM 0 HA CYS A 29 2.162 -1.507 -8.414 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.843 0.459 -7.802 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.518 -0.111 -8.747 1.00 0.00 H new ATOM 422 N GLN A 30 0.706 -3.489 -8.416 1.00 0.00 N ATOM 423 CA GLN A 30 0.122 -4.792 -8.449 1.00 0.00 C ATOM 424 C GLN A 30 -1.252 -4.702 -7.812 1.00 0.00 C ATOM 425 O GLN A 30 -1.406 -4.071 -6.775 1.00 0.00 O ATOM 426 CB GLN A 30 0.990 -5.763 -7.639 1.00 0.00 C ATOM 427 CG GLN A 30 0.326 -7.109 -7.384 1.00 0.00 C ATOM 428 CD GLN A 30 1.097 -7.994 -6.438 1.00 0.00 C ATOM 429 OE1 GLN A 30 2.321 -7.949 -6.364 1.00 0.00 O ATOM 430 NE2 GLN A 30 0.388 -8.798 -5.693 1.00 0.00 N ATOM 0 H GLN A 30 1.211 -3.309 -7.548 1.00 0.00 H new ATOM 0 HA GLN A 30 0.049 -5.150 -9.476 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.929 -5.925 -8.168 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.239 -5.303 -6.682 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.672 -6.941 -6.979 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.201 -7.629 -8.334 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.628 -8.810 -5.780 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.850 -9.414 -5.024 1.00 0.00 H new ATOM 439 N ALA A 31 -2.231 -5.318 -8.425 1.00 0.00 N ATOM 440 CA ALA A 31 -3.571 -5.312 -7.910 1.00 0.00 C ATOM 441 C ALA A 31 -3.627 -5.896 -6.505 1.00 0.00 C ATOM 442 O ALA A 31 -3.095 -6.983 -6.254 1.00 0.00 O ATOM 443 CB ALA A 31 -4.498 -6.085 -8.843 1.00 0.00 C ATOM 0 H ALA A 31 -2.118 -5.837 -9.296 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.906 -4.276 -7.855 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.511 -6.073 -8.441 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.493 -5.620 -9.829 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.153 -7.116 -8.927 1.00 0.00 H new ATOM 449 N TRP A 32 -4.279 -5.169 -5.596 1.00 0.00 N ATOM 450 CA TRP A 32 -4.489 -5.594 -4.215 1.00 0.00 C ATOM 451 C TRP A 32 -5.270 -6.891 -4.221 1.00 0.00 C ATOM 452 O TRP A 32 -5.102 -7.760 -3.360 1.00 0.00 O ATOM 453 CB TRP A 32 -5.330 -4.555 -3.461 1.00 0.00 C ATOM 454 CG TRP A 32 -4.768 -3.167 -3.410 1.00 0.00 C ATOM 455 CD1 TRP A 32 -5.165 -2.100 -4.156 1.00 0.00 C ATOM 456 CD2 TRP A 32 -3.727 -2.692 -2.556 1.00 0.00 C ATOM 457 NE1 TRP A 32 -4.440 -0.994 -3.816 1.00 0.00 N ATOM 458 CE2 TRP A 32 -3.538 -1.330 -2.846 1.00 0.00 C ATOM 459 CE3 TRP A 32 -2.932 -3.287 -1.581 1.00 0.00 C ATOM 460 CZ2 TRP A 32 -2.582 -0.550 -2.190 1.00 0.00 C ATOM 461 CZ3 TRP A 32 -1.993 -2.517 -0.935 1.00 0.00 C ATOM 462 CH2 TRP A 32 -1.823 -1.161 -1.245 1.00 0.00 C ATOM 0 H TRP A 32 -4.681 -4.255 -5.804 1.00 0.00 H new ATOM 0 HA TRP A 32 -3.519 -5.711 -3.732 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -6.316 -4.510 -3.924 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -5.473 -4.905 -2.439 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.940 -2.125 -4.907 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.554 -0.065 -4.221 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -3.050 -4.332 -1.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -2.452 0.496 -2.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.374 -2.967 -0.173 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -1.072 -0.590 -0.720 1.00 0.00 H new ATOM 473 N ASP A 33 -6.059 -7.019 -5.263 1.00 0.00 N ATOM 474 CA ASP A 33 -6.982 -8.109 -5.487 1.00 0.00 C ATOM 475 C ASP A 33 -6.241 -9.355 -5.981 1.00 0.00 C ATOM 476 O ASP A 33 -6.814 -10.436 -6.098 1.00 0.00 O ATOM 477 CB ASP A 33 -8.009 -7.635 -6.530 1.00 0.00 C ATOM 478 CG ASP A 33 -9.167 -8.576 -6.728 1.00 0.00 C ATOM 479 OD1 ASP A 33 -9.946 -8.749 -5.794 1.00 0.00 O ATOM 480 OD2 ASP A 33 -9.358 -9.103 -7.852 1.00 0.00 O ATOM 0 H ASP A 33 -6.075 -6.331 -6.016 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.482 -8.382 -4.558 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.394 -6.661 -6.227 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.502 -7.495 -7.485 1.00 0.00 H new ATOM 485 N SER A 34 -4.957 -9.201 -6.227 1.00 0.00 N ATOM 486 CA SER A 34 -4.146 -10.249 -6.758 1.00 0.00 C ATOM 487 C SER A 34 -2.928 -10.487 -5.856 1.00 0.00 C ATOM 488 O SER A 34 -2.325 -9.548 -5.336 1.00 0.00 O ATOM 489 CB SER A 34 -3.695 -9.845 -8.170 1.00 0.00 C ATOM 490 OG SER A 34 -2.946 -10.875 -8.810 1.00 0.00 O ATOM 0 H SER A 34 -4.452 -8.331 -6.058 1.00 0.00 H new ATOM 0 HA SER A 34 -4.718 -11.176 -6.803 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.570 -9.605 -8.774 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.090 -8.940 -8.112 1.00 0.00 H new ATOM 0 HG SER A 34 -2.028 -10.567 -8.959 1.00 0.00 H new ATOM 496 N GLN A 35 -2.573 -11.733 -5.669 1.00 0.00 N ATOM 497 CA GLN A 35 -1.381 -12.092 -4.914 1.00 0.00 C ATOM 498 C GLN A 35 -0.272 -12.471 -5.894 1.00 0.00 C ATOM 499 O GLN A 35 0.662 -13.192 -5.566 1.00 0.00 O ATOM 500 CB GLN A 35 -1.660 -13.244 -3.931 1.00 0.00 C ATOM 501 CG GLN A 35 -2.691 -12.921 -2.852 1.00 0.00 C ATOM 502 CD GLN A 35 -2.773 -14.001 -1.785 1.00 0.00 C ATOM 503 OE1 GLN A 35 -3.539 -14.958 -1.899 1.00 0.00 O ATOM 504 NE2 GLN A 35 -2.031 -13.825 -0.720 1.00 0.00 N ATOM 0 H GLN A 35 -3.095 -12.531 -6.031 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.068 -11.235 -4.318 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -2.003 -14.111 -4.495 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.725 -13.527 -3.449 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -2.437 -11.970 -2.384 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.670 -12.797 -3.315 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.407 -13.020 -0.660 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.077 -14.493 0.050 1.00 0.00 H new ATOM 513 N SER A 36 -0.385 -11.945 -7.086 1.00 0.00 N ATOM 514 CA SER A 36 0.552 -12.176 -8.140 1.00 0.00 C ATOM 515 C SER A 36 0.937 -10.817 -8.725 1.00 0.00 C ATOM 516 O SER A 36 0.050 -10.043 -9.134 1.00 0.00 O ATOM 517 CB SER A 36 -0.110 -13.042 -9.207 1.00 0.00 C ATOM 518 OG SER A 36 -0.690 -14.202 -8.621 1.00 0.00 O ATOM 0 H SER A 36 -1.153 -11.329 -7.351 1.00 0.00 H new ATOM 0 HA SER A 36 1.442 -12.689 -7.774 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.878 -12.467 -9.725 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.627 -13.335 -9.954 1.00 0.00 H new ATOM 0 HG SER A 36 -1.112 -14.745 -9.319 1.00 0.00 H new ATOM 524 N PRO A 37 2.239 -10.478 -8.720 1.00 0.00 N ATOM 525 CA PRO A 37 3.329 -11.475 -8.569 1.00 0.00 C ATOM 526 C PRO A 37 3.699 -11.701 -7.105 1.00 0.00 C ATOM 527 O PRO A 37 4.120 -12.784 -6.714 1.00 0.00 O ATOM 528 CB PRO A 37 4.504 -10.789 -9.273 1.00 0.00 C ATOM 529 CG PRO A 37 4.230 -9.353 -9.048 1.00 0.00 C ATOM 530 CD PRO A 37 2.773 -9.219 -9.290 1.00 0.00 C ATOM 0 HA PRO A 37 3.052 -12.451 -8.968 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.461 -11.089 -8.847 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.537 -11.033 -10.335 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.495 -9.051 -8.035 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.806 -8.726 -9.729 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.358 -8.341 -8.795 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.544 -9.125 -10.352 1.00 0.00 H new ATOM 538 N HIS A 38 3.533 -10.672 -6.312 1.00 0.00 N ATOM 539 CA HIS A 38 3.924 -10.710 -4.936 1.00 0.00 C ATOM 540 C HIS A 38 2.795 -11.113 -4.024 1.00 0.00 C ATOM 541 O HIS A 38 1.713 -10.491 -4.024 1.00 0.00 O ATOM 542 CB HIS A 38 4.507 -9.371 -4.501 1.00 0.00 C ATOM 543 CG HIS A 38 5.810 -9.051 -5.149 1.00 0.00 C ATOM 544 ND1 HIS A 38 7.029 -9.616 -4.998 1.00 0.00 N flip ATOM 545 CD2 HIS A 38 5.965 -8.061 -6.092 1.00 0.00 C flip ATOM 546 CE1 HIS A 38 7.883 -8.972 -5.845 1.00 0.00 C flip ATOM 547 NE2 HIS A 38 7.214 -8.048 -6.489 1.00 0.00 N flip ATOM 0 H HIS A 38 3.122 -9.787 -6.608 1.00 0.00 H new ATOM 0 HA HIS A 38 4.694 -11.477 -4.851 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.792 -8.581 -4.731 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.640 -9.376 -3.419 1.00 0.00 H new ATOM 0 HD2 HIS A 38 5.186 -7.403 -6.447 1.00 0.00 H new ATOM 0 HE1 HIS A 38 8.934 -9.188 -5.965 1.00 0.00 H new ATOM 0 HE2 HIS A 38 7.604 -7.417 -7.189 1.00 0.00 H new ATOM 556 N ALA A 39 3.042 -12.137 -3.249 1.00 0.00 N ATOM 557 CA ALA A 39 2.110 -12.616 -2.276 1.00 0.00 C ATOM 558 C ALA A 39 2.033 -11.613 -1.143 1.00 0.00 C ATOM 559 O ALA A 39 3.064 -11.111 -0.657 1.00 0.00 O ATOM 560 CB ALA A 39 2.529 -13.986 -1.760 1.00 0.00 C ATOM 0 H ALA A 39 3.913 -12.667 -3.281 1.00 0.00 H new ATOM 0 HA ALA A 39 1.126 -12.725 -2.732 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.807 -14.333 -1.021 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.566 -14.692 -2.590 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.514 -13.916 -1.299 1.00 0.00 H new ATOM 566 N HIS A 40 0.838 -11.289 -0.741 1.00 0.00 N ATOM 567 CA HIS A 40 0.646 -10.295 0.283 1.00 0.00 C ATOM 568 C HIS A 40 -0.578 -10.617 1.071 1.00 0.00 C ATOM 569 O HIS A 40 -1.382 -11.427 0.624 1.00 0.00 O ATOM 570 CB HIS A 40 0.526 -8.870 -0.326 1.00 0.00 C ATOM 571 CG HIS A 40 -0.648 -8.620 -1.270 1.00 0.00 C ATOM 572 ND1 HIS A 40 -0.553 -7.804 -2.353 1.00 0.00 N ATOM 573 CD2 HIS A 40 -1.962 -8.995 -1.220 1.00 0.00 C ATOM 574 CE1 HIS A 40 -1.731 -7.683 -2.907 1.00 0.00 C ATOM 575 NE2 HIS A 40 -2.594 -8.394 -2.245 1.00 0.00 N ATOM 0 H HIS A 40 -0.022 -11.698 -1.106 1.00 0.00 H new ATOM 0 HA HIS A 40 1.518 -10.307 0.938 1.00 0.00 H new ATOM 0 HB2 HIS A 40 0.461 -8.155 0.494 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.448 -8.653 -0.866 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -2.411 -9.653 -0.491 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.952 -7.085 -3.779 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -3.586 -8.482 -2.466 1.00 0.00 H new ATOM 584 N GLY A 41 -0.767 -9.935 2.169 1.00 0.00 N ATOM 585 CA GLY A 41 -1.916 -10.164 2.970 1.00 0.00 C ATOM 586 C GLY A 41 -2.965 -9.096 2.816 1.00 0.00 C ATOM 587 O GLY A 41 -3.998 -9.150 3.471 1.00 0.00 O ATOM 0 H GLY A 41 -0.133 -9.218 2.521 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.348 -11.130 2.708 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.616 -10.223 4.016 1.00 0.00 H new ATOM 591 N TYR A 42 -2.744 -8.133 1.921 1.00 0.00 N ATOM 592 CA TYR A 42 -3.693 -7.064 1.762 1.00 0.00 C ATOM 593 C TYR A 42 -4.703 -7.486 0.755 1.00 0.00 C ATOM 594 O TYR A 42 -4.596 -7.190 -0.428 1.00 0.00 O ATOM 595 CB TYR A 42 -3.041 -5.742 1.365 1.00 0.00 C ATOM 596 CG TYR A 42 -2.085 -5.162 2.384 1.00 0.00 C ATOM 597 CD1 TYR A 42 -0.777 -5.601 2.438 1.00 0.00 C ATOM 598 CD2 TYR A 42 -2.476 -4.139 3.262 1.00 0.00 C ATOM 599 CE1 TYR A 42 0.125 -5.056 3.312 1.00 0.00 C ATOM 600 CE2 TYR A 42 -1.571 -3.595 4.155 1.00 0.00 C ATOM 601 CZ TYR A 42 -0.269 -4.062 4.169 1.00 0.00 C ATOM 602 OH TYR A 42 0.660 -3.498 4.995 1.00 0.00 O ATOM 0 H TYR A 42 -1.928 -8.082 1.311 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.168 -6.876 2.725 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.503 -5.888 0.428 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -3.827 -5.012 1.171 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.458 -6.392 1.776 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -3.492 -3.774 3.240 1.00 0.00 H new ATOM 0 HE1 TYR A 42 1.146 -5.409 3.326 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.878 -2.814 4.835 1.00 0.00 H new ATOM 0 HH TYR A 42 0.416 -2.566 5.174 1.00 0.00 H new ATOM 612 N ILE A 43 -5.558 -8.326 1.208 1.00 0.00 N ATOM 613 CA ILE A 43 -6.630 -8.840 0.420 1.00 0.00 C ATOM 614 C ILE A 43 -7.830 -7.906 0.604 1.00 0.00 C ATOM 615 O ILE A 43 -8.203 -7.602 1.746 1.00 0.00 O ATOM 616 CB ILE A 43 -7.001 -10.276 0.907 1.00 0.00 C ATOM 617 CG1 ILE A 43 -5.730 -11.135 1.093 1.00 0.00 C ATOM 618 CG2 ILE A 43 -7.950 -10.955 -0.074 1.00 0.00 C ATOM 619 CD1 ILE A 43 -4.923 -11.372 -0.171 1.00 0.00 C ATOM 0 H ILE A 43 -5.537 -8.688 2.161 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.343 -8.894 -0.630 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.505 -10.182 1.869 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.088 -10.652 1.830 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.020 -12.101 1.507 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.193 -11.954 0.288 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.864 -10.368 -0.161 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.472 -11.029 -1.051 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.052 -11.984 0.063 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.541 -11.887 -0.906 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.595 -10.415 -0.578 1.00 0.00 H new ATOM 631 N PRO A 44 -8.460 -7.439 -0.488 1.00 0.00 N ATOM 632 CA PRO A 44 -9.623 -6.528 -0.417 1.00 0.00 C ATOM 633 C PRO A 44 -10.812 -7.153 0.317 1.00 0.00 C ATOM 634 O PRO A 44 -11.741 -6.458 0.730 1.00 0.00 O ATOM 635 CB PRO A 44 -9.994 -6.293 -1.884 1.00 0.00 C ATOM 636 CG PRO A 44 -8.766 -6.630 -2.650 1.00 0.00 C ATOM 637 CD PRO A 44 -8.086 -7.724 -1.885 1.00 0.00 C ATOM 0 HA PRO A 44 -9.380 -5.619 0.133 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.832 -6.922 -2.185 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.294 -5.259 -2.054 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -9.014 -6.957 -3.660 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.116 -5.760 -2.747 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -8.429 -8.709 -2.201 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.005 -7.702 -2.025 1.00 0.00 H new ATOM 645 N SER A 45 -10.760 -8.454 0.490 1.00 0.00 N ATOM 646 CA SER A 45 -11.792 -9.191 1.129 1.00 0.00 C ATOM 647 C SER A 45 -11.738 -8.932 2.631 1.00 0.00 C ATOM 648 O SER A 45 -12.769 -8.857 3.303 1.00 0.00 O ATOM 649 CB SER A 45 -11.540 -10.661 0.855 1.00 0.00 C ATOM 650 OG SER A 45 -11.171 -10.837 -0.500 1.00 0.00 O ATOM 0 H SER A 45 -9.977 -9.029 0.179 1.00 0.00 H new ATOM 0 HA SER A 45 -12.772 -8.895 0.755 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.750 -11.032 1.508 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.436 -11.241 1.076 1.00 0.00 H new ATOM 0 HG SER A 45 -11.007 -11.787 -0.674 1.00 0.00 H new ATOM 656 N LYS A 46 -10.527 -8.750 3.141 1.00 0.00 N ATOM 657 CA LYS A 46 -10.327 -8.596 4.525 1.00 0.00 C ATOM 658 C LYS A 46 -10.207 -7.120 4.917 1.00 0.00 C ATOM 659 O LYS A 46 -10.528 -6.751 6.054 1.00 0.00 O ATOM 660 CB LYS A 46 -9.118 -9.411 4.974 1.00 0.00 C ATOM 661 CG LYS A 46 -7.775 -8.897 4.496 1.00 0.00 C ATOM 662 CD LYS A 46 -6.602 -9.571 5.203 1.00 0.00 C ATOM 663 CE LYS A 46 -6.506 -11.064 4.966 1.00 0.00 C ATOM 664 NZ LYS A 46 -5.325 -11.629 5.658 1.00 0.00 N ATOM 0 H LYS A 46 -9.674 -8.709 2.584 1.00 0.00 H new ATOM 0 HA LYS A 46 -11.203 -8.981 5.047 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.108 -9.445 6.063 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.241 -10.436 4.624 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.689 -9.060 3.422 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.723 -7.821 4.660 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.675 -9.102 4.872 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.686 -9.390 6.275 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.412 -11.553 5.324 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.437 -11.264 3.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.543 -12.591 5.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.520 -11.662 5.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.081 -11.031 6.473 1.00 0.00 H new ATOM 678 N PHE A 47 -9.749 -6.273 3.978 1.00 0.00 N ATOM 679 CA PHE A 47 -9.661 -4.828 4.235 1.00 0.00 C ATOM 680 C PHE A 47 -10.452 -4.058 3.156 1.00 0.00 C ATOM 681 O PHE A 47 -9.865 -3.422 2.278 1.00 0.00 O ATOM 682 CB PHE A 47 -8.195 -4.307 4.257 1.00 0.00 C ATOM 683 CG PHE A 47 -7.222 -5.120 5.078 1.00 0.00 C ATOM 684 CD1 PHE A 47 -7.458 -5.396 6.413 1.00 0.00 C ATOM 685 CD2 PHE A 47 -6.077 -5.631 4.491 1.00 0.00 C ATOM 686 CE1 PHE A 47 -6.574 -6.162 7.137 1.00 0.00 C ATOM 687 CE2 PHE A 47 -5.193 -6.401 5.213 1.00 0.00 C ATOM 688 CZ PHE A 47 -5.443 -6.668 6.537 1.00 0.00 C ATOM 0 H PHE A 47 -9.439 -6.560 3.049 1.00 0.00 H new ATOM 0 HA PHE A 47 -10.086 -4.656 5.224 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.829 -4.264 3.231 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.198 -3.286 4.637 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.345 -5.006 6.891 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -5.874 -5.422 3.451 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.768 -6.367 8.179 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -4.305 -6.794 4.740 1.00 0.00 H new ATOM 0 HZ PHE A 47 -4.754 -7.274 7.106 1.00 0.00 H new ATOM 698 N PRO A 48 -11.796 -4.136 3.168 1.00 0.00 N ATOM 699 CA PRO A 48 -12.623 -3.479 2.150 1.00 0.00 C ATOM 700 C PRO A 48 -12.789 -1.983 2.416 1.00 0.00 C ATOM 701 O PRO A 48 -12.830 -1.169 1.487 1.00 0.00 O ATOM 702 CB PRO A 48 -13.964 -4.191 2.301 1.00 0.00 C ATOM 703 CG PRO A 48 -14.029 -4.530 3.751 1.00 0.00 C ATOM 704 CD PRO A 48 -12.629 -4.886 4.146 1.00 0.00 C ATOM 0 HA PRO A 48 -12.186 -3.545 1.153 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -14.793 -3.549 2.003 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -14.014 -5.085 1.679 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.398 -3.686 4.334 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -14.710 -5.363 3.929 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.412 -4.587 5.172 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -12.454 -5.960 4.083 1.00 0.00 H new ATOM 712 N ASN A 49 -12.849 -1.636 3.694 1.00 0.00 N ATOM 713 CA ASN A 49 -13.105 -0.278 4.137 1.00 0.00 C ATOM 714 C ASN A 49 -11.994 0.703 3.747 1.00 0.00 C ATOM 715 O ASN A 49 -12.232 1.887 3.656 1.00 0.00 O ATOM 716 CB ASN A 49 -13.367 -0.222 5.655 1.00 0.00 C ATOM 717 CG ASN A 49 -12.109 -0.221 6.530 1.00 0.00 C ATOM 718 OD1 ASN A 49 -11.572 0.835 6.848 1.00 0.00 O ATOM 719 ND2 ASN A 49 -11.660 -1.375 6.954 1.00 0.00 N ATOM 0 H ASN A 49 -12.720 -2.299 4.459 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.006 0.042 3.613 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -13.945 0.675 5.876 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -13.984 -1.076 5.934 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.844 -1.411 7.565 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -12.126 -2.238 6.674 1.00 0.00 H new ATOM 726 N LYS A 50 -10.783 0.210 3.501 1.00 0.00 N ATOM 727 CA LYS A 50 -9.698 1.091 3.110 1.00 0.00 C ATOM 728 C LYS A 50 -9.661 1.259 1.601 1.00 0.00 C ATOM 729 O LYS A 50 -8.784 1.935 1.054 1.00 0.00 O ATOM 730 CB LYS A 50 -8.363 0.583 3.623 1.00 0.00 C ATOM 731 CG LYS A 50 -8.245 0.488 5.140 1.00 0.00 C ATOM 732 CD LYS A 50 -8.614 1.809 5.827 1.00 0.00 C ATOM 733 CE LYS A 50 -8.555 1.696 7.346 1.00 0.00 C ATOM 734 NZ LYS A 50 -7.185 1.715 7.894 1.00 0.00 N ATOM 0 H LYS A 50 -10.535 -0.777 3.565 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.881 2.065 3.563 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.180 -0.404 3.198 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.576 1.240 3.254 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.897 -0.306 5.506 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.225 0.212 5.408 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.934 2.593 5.495 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.617 2.108 5.524 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.122 2.517 7.784 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.045 0.771 7.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.126 1.064 8.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.513 1.416 7.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.950 2.678 8.207 1.00 0.00 H new ATOM 748 N ASN A 51 -10.630 0.628 0.957 1.00 0.00 N ATOM 749 CA ASN A 51 -10.854 0.688 -0.478 1.00 0.00 C ATOM 750 C ASN A 51 -9.673 0.110 -1.258 1.00 0.00 C ATOM 751 O ASN A 51 -9.016 0.788 -2.018 1.00 0.00 O ATOM 752 CB ASN A 51 -11.183 2.126 -0.923 1.00 0.00 C ATOM 753 CG ASN A 51 -11.782 2.207 -2.302 1.00 0.00 C ATOM 754 OD1 ASN A 51 -11.093 2.350 -3.277 1.00 0.00 O ATOM 755 ND2 ASN A 51 -13.081 2.114 -2.385 1.00 0.00 N ATOM 0 H ASN A 51 -11.308 0.037 1.439 1.00 0.00 H new ATOM 0 HA ASN A 51 -11.719 0.065 -0.706 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -11.876 2.569 -0.208 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.272 2.723 -0.896 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -13.539 2.162 -3.295 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -13.639 1.993 -1.540 1.00 0.00 H new ATOM 762 N LEU A 52 -9.356 -1.131 -0.999 1.00 0.00 N ATOM 763 CA LEU A 52 -8.316 -1.813 -1.747 1.00 0.00 C ATOM 764 C LEU A 52 -8.838 -2.235 -3.096 1.00 0.00 C ATOM 765 O LEU A 52 -9.270 -3.368 -3.267 1.00 0.00 O ATOM 766 CB LEU A 52 -7.754 -3.024 -0.986 1.00 0.00 C ATOM 767 CG LEU A 52 -6.667 -2.766 0.067 1.00 0.00 C ATOM 768 CD1 LEU A 52 -7.103 -1.751 1.091 1.00 0.00 C ATOM 769 CD2 LEU A 52 -6.279 -4.063 0.744 1.00 0.00 C ATOM 0 H LEU A 52 -9.800 -1.697 -0.276 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.495 -1.109 -1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.587 -3.525 -0.492 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.351 -3.723 -1.719 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.800 -2.355 -0.449 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.304 -1.599 1.816 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.327 -0.807 0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.995 -2.112 1.604 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.507 -3.868 1.489 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.153 -4.495 1.231 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.897 -4.762 -0.000 1.00 0.00 H new ATOM 781 N LYS A 53 -8.885 -1.326 -4.037 1.00 0.00 N ATOM 782 CA LYS A 53 -9.407 -1.691 -5.329 1.00 0.00 C ATOM 783 C LYS A 53 -8.372 -1.663 -6.400 1.00 0.00 C ATOM 784 O LYS A 53 -7.549 -0.740 -6.485 1.00 0.00 O ATOM 785 CB LYS A 53 -10.610 -0.869 -5.760 1.00 0.00 C ATOM 786 CG LYS A 53 -11.794 -0.788 -4.775 1.00 0.00 C ATOM 787 CD LYS A 53 -12.772 -1.978 -4.868 1.00 0.00 C ATOM 788 CE LYS A 53 -12.189 -3.304 -4.414 1.00 0.00 C ATOM 789 NZ LYS A 53 -13.171 -4.391 -4.501 1.00 0.00 N ATOM 0 H LYS A 53 -8.579 -0.358 -3.940 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.743 -2.719 -5.195 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.270 0.146 -5.965 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.980 -1.277 -6.701 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.404 -0.730 -3.759 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.343 0.135 -4.959 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.653 -1.757 -4.266 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -13.108 -2.077 -5.900 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.322 -3.548 -5.027 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.838 -3.213 -3.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.734 -5.280 -4.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -13.988 -4.170 -3.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.488 -4.495 -5.486 1.00 0.00 H new ATOM 803 N LYS A 54 -8.483 -2.650 -7.243 1.00 0.00 N ATOM 804 CA LYS A 54 -7.614 -2.885 -8.380 1.00 0.00 C ATOM 805 C LYS A 54 -6.146 -2.741 -7.998 1.00 0.00 C ATOM 806 O LYS A 54 -5.712 -3.303 -7.007 1.00 0.00 O ATOM 807 CB LYS A 54 -8.011 -1.981 -9.565 1.00 0.00 C ATOM 808 CG LYS A 54 -9.457 -2.162 -10.013 1.00 0.00 C ATOM 809 CD LYS A 54 -9.750 -3.601 -10.425 1.00 0.00 C ATOM 810 CE LYS A 54 -11.215 -3.793 -10.775 1.00 0.00 C ATOM 811 NZ LYS A 54 -11.507 -5.192 -11.130 1.00 0.00 N ATOM 0 H LYS A 54 -9.217 -3.353 -7.159 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.745 -3.917 -8.706 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.854 -0.939 -9.285 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.350 -2.188 -10.407 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.127 -1.873 -9.203 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.664 -1.496 -10.850 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.132 -3.868 -11.282 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.477 -4.276 -9.613 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.834 -3.495 -9.929 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.479 -3.142 -11.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.516 -5.288 -11.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.934 -5.468 -11.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.278 -5.809 -10.325 1.00 0.00 H new ATOM 825 N ASN A 55 -5.414 -1.995 -8.760 1.00 0.00 N ATOM 826 CA ASN A 55 -3.997 -1.793 -8.526 1.00 0.00 C ATOM 827 C ASN A 55 -3.750 -0.316 -8.293 1.00 0.00 C ATOM 828 O ASN A 55 -2.685 0.220 -8.585 1.00 0.00 O ATOM 829 CB ASN A 55 -3.211 -2.320 -9.741 1.00 0.00 C ATOM 830 CG ASN A 55 -3.492 -1.566 -11.024 1.00 0.00 C ATOM 831 OD1 ASN A 55 -2.638 -0.649 -11.356 1.00 0.00 O flip ATOM 832 ND2 ASN A 55 -4.465 -1.851 -11.731 1.00 0.00 N flip ATOM 0 H ASN A 55 -5.774 -1.498 -9.574 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.661 -2.339 -7.644 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.144 -2.264 -9.524 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.452 -3.373 -9.889 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.115 -2.579 -11.435 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.618 -1.358 -12.611 1.00 0.00 H new ATOM 839 N TYR A 56 -4.743 0.330 -7.730 1.00 0.00 N ATOM 840 CA TYR A 56 -4.673 1.734 -7.464 1.00 0.00 C ATOM 841 C TYR A 56 -4.008 1.962 -6.130 1.00 0.00 C ATOM 842 O TYR A 56 -4.336 1.282 -5.157 1.00 0.00 O ATOM 843 CB TYR A 56 -6.076 2.341 -7.480 1.00 0.00 C ATOM 844 CG TYR A 56 -6.790 2.253 -8.803 1.00 0.00 C ATOM 845 CD1 TYR A 56 -6.178 2.668 -9.956 1.00 0.00 C ATOM 846 CD2 TYR A 56 -8.083 1.756 -8.893 1.00 0.00 C ATOM 847 CE1 TYR A 56 -6.809 2.602 -11.173 1.00 0.00 C ATOM 848 CE2 TYR A 56 -8.729 1.684 -10.113 1.00 0.00 C ATOM 849 CZ TYR A 56 -8.077 2.111 -11.251 1.00 0.00 C ATOM 850 OH TYR A 56 -8.698 2.046 -12.472 1.00 0.00 O ATOM 0 H TYR A 56 -5.619 -0.109 -7.446 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.081 2.222 -8.239 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -6.681 1.841 -6.723 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -6.006 3.390 -7.191 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.172 3.058 -9.906 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -8.590 1.422 -8.000 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.302 2.938 -12.065 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -9.735 1.297 -10.175 1.00 0.00 H new ATOM 0 HH TYR A 56 -9.597 1.672 -12.362 1.00 0.00 H new ATOM 860 N CYS A 57 -3.117 2.919 -6.086 1.00 0.00 N ATOM 861 CA CYS A 57 -2.351 3.226 -4.903 1.00 0.00 C ATOM 862 C CYS A 57 -3.257 3.655 -3.796 1.00 0.00 C ATOM 863 O CYS A 57 -4.193 4.409 -4.020 1.00 0.00 O ATOM 864 CB CYS A 57 -1.345 4.321 -5.199 1.00 0.00 C ATOM 865 SG CYS A 57 -0.448 4.909 -3.750 1.00 0.00 S ATOM 0 H CYS A 57 -2.899 3.517 -6.883 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.816 2.328 -4.594 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.628 3.952 -5.932 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.865 5.162 -5.657 1.00 0.00 H new ATOM 870 N ARG A 58 -3.003 3.161 -2.614 1.00 0.00 N ATOM 871 CA ARG A 58 -3.814 3.451 -1.469 1.00 0.00 C ATOM 872 C ARG A 58 -2.905 3.612 -0.260 1.00 0.00 C ATOM 873 O ARG A 58 -1.701 3.439 -0.360 1.00 0.00 O ATOM 874 CB ARG A 58 -4.823 2.285 -1.209 1.00 0.00 C ATOM 875 CG ARG A 58 -5.829 2.005 -2.275 1.00 0.00 C ATOM 876 CD ARG A 58 -6.582 3.253 -2.659 1.00 0.00 C ATOM 877 NE ARG A 58 -7.801 3.033 -3.455 1.00 0.00 N ATOM 878 CZ ARG A 58 -8.000 2.233 -4.518 1.00 0.00 C ATOM 879 NH1 ARG A 58 -7.141 1.295 -4.840 1.00 0.00 N ATOM 880 NH2 ARG A 58 -9.107 2.352 -5.218 1.00 0.00 N ATOM 0 H ARG A 58 -2.218 2.539 -2.420 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.378 4.367 -1.645 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.250 1.374 -1.037 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.360 2.502 -0.286 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.328 1.596 -3.152 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.531 1.247 -1.926 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.854 3.788 -1.749 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.912 3.903 -3.223 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.617 3.567 -3.156 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.300 1.160 -4.279 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.315 0.701 -5.651 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -9.806 3.046 -4.953 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -9.267 1.750 -6.026 1.00 0.00 H new ATOM 894 N ASN A 59 -3.468 3.980 0.844 1.00 0.00 N ATOM 895 CA ASN A 59 -2.758 3.966 2.109 1.00 0.00 C ATOM 896 C ASN A 59 -3.727 3.333 3.082 1.00 0.00 C ATOM 897 O ASN A 59 -4.490 4.008 3.707 1.00 0.00 O ATOM 898 CB ASN A 59 -2.340 5.390 2.606 1.00 0.00 C ATOM 899 CG ASN A 59 -1.422 5.345 3.837 1.00 0.00 C ATOM 900 OD1 ASN A 59 -1.411 4.386 4.577 1.00 0.00 O ATOM 901 ND2 ASN A 59 -0.686 6.411 4.093 1.00 0.00 N ATOM 0 H ASN A 59 -4.434 4.301 0.909 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.819 3.421 2.012 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.832 5.917 1.798 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.235 5.963 2.847 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.096 6.436 4.925 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.707 7.210 3.459 1.00 0.00 H new ATOM 908 N PRO A 60 -3.784 2.012 3.132 1.00 0.00 N ATOM 909 CA PRO A 60 -4.804 1.312 3.912 1.00 0.00 C ATOM 910 C PRO A 60 -4.447 1.127 5.361 1.00 0.00 C ATOM 911 O PRO A 60 -5.307 0.999 6.220 1.00 0.00 O ATOM 912 CB PRO A 60 -4.839 -0.043 3.237 1.00 0.00 C ATOM 913 CG PRO A 60 -3.424 -0.272 2.815 1.00 0.00 C ATOM 914 CD PRO A 60 -2.878 1.075 2.431 1.00 0.00 C ATOM 0 HA PRO A 60 -5.742 1.867 3.928 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.183 -0.820 3.919 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.516 -0.046 2.383 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -2.842 -0.711 3.625 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -3.375 -0.966 1.975 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.843 1.198 2.752 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.897 1.226 1.352 1.00 0.00 H new ATOM 922 N ASP A 61 -3.215 1.059 5.607 1.00 0.00 N ATOM 923 CA ASP A 61 -2.710 0.750 6.896 1.00 0.00 C ATOM 924 C ASP A 61 -2.130 1.930 7.634 1.00 0.00 C ATOM 925 O ASP A 61 -1.779 1.810 8.816 1.00 0.00 O ATOM 926 CB ASP A 61 -1.690 -0.358 6.761 1.00 0.00 C ATOM 927 CG ASP A 61 -0.584 -0.087 5.755 1.00 0.00 C ATOM 928 OD1 ASP A 61 -0.588 0.972 5.065 1.00 0.00 O ATOM 929 OD2 ASP A 61 0.278 -0.952 5.621 1.00 0.00 O ATOM 0 H ASP A 61 -2.492 1.219 4.906 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.554 0.429 7.506 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.238 -0.538 7.737 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.206 -1.275 6.475 1.00 0.00 H new ATOM 934 N ARG A 62 -2.060 3.054 6.979 1.00 0.00 N ATOM 935 CA ARG A 62 -1.463 4.244 7.539 1.00 0.00 C ATOM 936 C ARG A 62 0.027 4.129 7.695 1.00 0.00 C ATOM 937 O ARG A 62 0.567 4.073 8.814 1.00 0.00 O ATOM 938 CB ARG A 62 -2.174 4.832 8.770 1.00 0.00 C ATOM 939 CG ARG A 62 -3.319 5.760 8.412 1.00 0.00 C ATOM 940 CD ARG A 62 -4.094 6.193 9.641 1.00 0.00 C ATOM 941 NE ARG A 62 -4.943 5.116 10.158 1.00 0.00 N ATOM 942 CZ ARG A 62 -5.014 4.722 11.441 1.00 0.00 C ATOM 943 NH1 ARG A 62 -4.107 5.136 12.339 1.00 0.00 N ATOM 944 NH2 ARG A 62 -5.966 3.886 11.820 1.00 0.00 N ATOM 0 H ARG A 62 -2.418 3.176 6.032 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.634 5.007 6.779 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.554 4.017 9.386 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.449 5.377 9.375 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.928 6.639 7.899 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.991 5.258 7.716 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.397 6.510 10.417 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.712 7.057 9.395 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.531 4.623 9.486 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -3.351 5.758 12.051 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.173 4.829 13.309 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.643 3.542 11.139 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.023 3.585 12.793 1.00 0.00 H new ATOM 958 N ASP A 63 0.672 3.943 6.558 1.00 0.00 N ATOM 959 CA ASP A 63 2.121 3.980 6.435 1.00 0.00 C ATOM 960 C ASP A 63 2.500 5.480 6.506 1.00 0.00 C ATOM 961 O ASP A 63 1.661 6.327 6.852 1.00 0.00 O ATOM 962 CB ASP A 63 2.526 3.382 5.057 1.00 0.00 C ATOM 963 CG ASP A 63 3.978 2.902 4.987 1.00 0.00 C ATOM 964 OD1 ASP A 63 4.901 3.645 5.367 1.00 0.00 O ATOM 965 OD2 ASP A 63 4.215 1.758 4.592 1.00 0.00 O ATOM 0 H ASP A 63 0.195 3.758 5.675 1.00 0.00 H new ATOM 0 HA ASP A 63 2.626 3.406 7.212 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.866 2.545 4.828 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.366 4.135 4.285 1.00 0.00 H new ATOM 970 N LEU A 64 3.690 5.831 6.178 1.00 0.00 N ATOM 971 CA LEU A 64 4.115 7.226 6.274 1.00 0.00 C ATOM 972 C LEU A 64 3.603 8.044 5.093 1.00 0.00 C ATOM 973 O LEU A 64 3.564 9.282 5.138 1.00 0.00 O ATOM 974 CB LEU A 64 5.657 7.359 6.388 1.00 0.00 C ATOM 975 CG LEU A 64 6.363 6.874 7.689 1.00 0.00 C ATOM 976 CD1 LEU A 64 6.183 5.382 7.940 1.00 0.00 C ATOM 977 CD2 LEU A 64 7.841 7.212 7.630 1.00 0.00 C ATOM 0 H LEU A 64 4.406 5.189 5.838 1.00 0.00 H new ATOM 0 HA LEU A 64 3.677 7.623 7.190 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.097 6.814 5.552 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.908 8.411 6.250 1.00 0.00 H new ATOM 0 HG LEU A 64 5.891 7.396 8.521 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.697 5.103 8.860 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.121 5.154 8.034 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.602 4.820 7.106 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.329 6.870 8.543 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.293 6.718 6.770 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.964 8.291 7.535 1.00 0.00 H new ATOM 989 N ARG A 65 3.185 7.360 4.071 1.00 0.00 N ATOM 990 CA ARG A 65 2.782 7.959 2.830 1.00 0.00 C ATOM 991 C ARG A 65 2.089 6.852 2.065 1.00 0.00 C ATOM 992 O ARG A 65 2.380 5.688 2.351 1.00 0.00 O ATOM 993 CB ARG A 65 4.084 8.393 2.143 1.00 0.00 C ATOM 994 CG ARG A 65 4.013 9.130 0.827 1.00 0.00 C ATOM 995 CD ARG A 65 5.440 9.424 0.428 1.00 0.00 C ATOM 996 NE ARG A 65 5.610 10.141 -0.821 1.00 0.00 N ATOM 997 CZ ARG A 65 6.807 10.342 -1.383 1.00 0.00 C ATOM 998 NH1 ARG A 65 7.903 9.861 -0.794 1.00 0.00 N ATOM 999 NH2 ARG A 65 6.914 11.041 -2.505 1.00 0.00 N ATOM 0 H ARG A 65 3.112 6.343 4.075 1.00 0.00 H new ATOM 0 HA ARG A 65 2.116 8.818 2.918 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.630 9.025 2.844 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.686 7.498 1.986 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.514 8.526 0.069 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.440 10.052 0.928 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.908 10.003 1.224 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.980 8.480 0.360 1.00 0.00 H new ATOM 0 HE ARG A 65 4.782 10.507 -1.291 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.826 9.343 0.081 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.818 10.012 -1.219 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.080 11.430 -2.945 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.830 11.190 -2.928 1.00 0.00 H new ATOM 1013 N PRO A 66 1.103 7.154 1.179 1.00 0.00 N ATOM 1014 CA PRO A 66 0.453 6.126 0.351 1.00 0.00 C ATOM 1015 C PRO A 66 1.464 5.339 -0.439 1.00 0.00 C ATOM 1016 O PRO A 66 2.582 5.822 -0.711 1.00 0.00 O ATOM 1017 CB PRO A 66 -0.470 6.938 -0.550 1.00 0.00 C ATOM 1018 CG PRO A 66 -0.815 8.076 0.317 1.00 0.00 C ATOM 1019 CD PRO A 66 0.496 8.473 0.936 1.00 0.00 C ATOM 0 HA PRO A 66 -0.083 5.378 0.935 1.00 0.00 H new ATOM 0 HB2 PRO A 66 0.029 7.258 -1.465 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.351 6.371 -0.850 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.251 8.895 -0.255 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.545 7.793 1.075 1.00 0.00 H new ATOM 0 HD2 PRO A 66 1.099 9.087 0.267 1.00 0.00 H new ATOM 0 HD3 PRO A 66 0.362 9.041 1.856 1.00 0.00 H new ATOM 1027 N TRP A 67 1.075 4.187 -0.854 1.00 0.00 N ATOM 1028 CA TRP A 67 1.989 3.241 -1.383 1.00 0.00 C ATOM 1029 C TRP A 67 1.225 2.203 -2.165 1.00 0.00 C ATOM 1030 O TRP A 67 -0.014 2.188 -2.153 1.00 0.00 O ATOM 1031 CB TRP A 67 2.788 2.583 -0.223 1.00 0.00 C ATOM 1032 CG TRP A 67 1.925 1.867 0.790 1.00 0.00 C ATOM 1033 CD1 TRP A 67 1.325 2.404 1.899 1.00 0.00 C ATOM 1034 CD2 TRP A 67 1.576 0.486 0.779 1.00 0.00 C ATOM 1035 NE1 TRP A 67 0.622 1.432 2.567 1.00 0.00 N ATOM 1036 CE2 TRP A 67 0.758 0.250 1.895 1.00 0.00 C ATOM 1037 CE3 TRP A 67 1.874 -0.575 -0.074 1.00 0.00 C ATOM 1038 CZ2 TRP A 67 0.237 -1.002 2.178 1.00 0.00 C ATOM 1039 CZ3 TRP A 67 1.361 -1.811 0.210 1.00 0.00 C ATOM 1040 CH2 TRP A 67 0.546 -2.016 1.327 1.00 0.00 C ATOM 0 H TRP A 67 0.105 3.872 -0.836 1.00 0.00 H new ATOM 0 HA TRP A 67 2.696 3.734 -2.049 1.00 0.00 H new ATOM 0 HB2 TRP A 67 3.501 1.874 -0.643 1.00 0.00 H new ATOM 0 HB3 TRP A 67 3.367 3.352 0.288 1.00 0.00 H new ATOM 0 HD1 TRP A 67 1.395 3.438 2.202 1.00 0.00 H new ATOM 0 HE1 TRP A 67 0.086 1.570 3.424 1.00 0.00 H new ATOM 0 HE3 TRP A 67 2.498 -0.424 -0.943 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -0.391 -1.166 3.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 1.590 -2.643 -0.440 1.00 0.00 H new ATOM 0 HH2 TRP A 67 0.152 -3.003 1.518 1.00 0.00 H new ATOM 1051 N CYS A 68 1.925 1.353 -2.832 1.00 0.00 N ATOM 1052 CA CYS A 68 1.293 0.328 -3.574 1.00 0.00 C ATOM 1053 C CYS A 68 2.305 -0.771 -3.802 1.00 0.00 C ATOM 1054 O CYS A 68 3.522 -0.523 -3.696 1.00 0.00 O ATOM 1055 CB CYS A 68 0.776 0.889 -4.903 1.00 0.00 C ATOM 1056 SG CYS A 68 -0.833 0.220 -5.407 1.00 0.00 S ATOM 0 H CYS A 68 2.944 1.351 -2.877 1.00 0.00 H new ATOM 0 HA CYS A 68 0.436 -0.072 -3.031 1.00 0.00 H new ATOM 0 HB2 CYS A 68 0.699 1.973 -4.823 1.00 0.00 H new ATOM 0 HB3 CYS A 68 1.507 0.678 -5.684 1.00 0.00 H new ATOM 1061 N PHE A 69 1.837 -1.974 -4.063 1.00 0.00 N ATOM 1062 CA PHE A 69 2.734 -3.074 -4.346 1.00 0.00 C ATOM 1063 C PHE A 69 3.222 -2.970 -5.760 1.00 0.00 C ATOM 1064 O PHE A 69 2.484 -2.567 -6.627 1.00 0.00 O ATOM 1065 CB PHE A 69 2.062 -4.421 -4.115 1.00 0.00 C ATOM 1066 CG PHE A 69 1.945 -4.808 -2.676 1.00 0.00 C ATOM 1067 CD1 PHE A 69 3.044 -5.317 -2.002 1.00 0.00 C ATOM 1068 CD2 PHE A 69 0.753 -4.680 -2.000 1.00 0.00 C ATOM 1069 CE1 PHE A 69 2.957 -5.685 -0.679 1.00 0.00 C ATOM 1070 CE2 PHE A 69 0.658 -5.048 -0.675 1.00 0.00 C ATOM 1071 CZ PHE A 69 1.763 -5.550 -0.014 1.00 0.00 C ATOM 0 H PHE A 69 0.846 -2.214 -4.085 1.00 0.00 H new ATOM 0 HA PHE A 69 3.580 -3.011 -3.661 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.065 -4.398 -4.556 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.626 -5.191 -4.642 1.00 0.00 H new ATOM 0 HD1 PHE A 69 3.983 -5.426 -2.523 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.114 -4.288 -2.511 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.823 -6.078 -0.166 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.281 -4.944 -0.153 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.688 -5.836 1.025 1.00 0.00 H new ATOM 1081 N THR A 70 4.438 -3.304 -5.997 1.00 0.00 N ATOM 1082 CA THR A 70 4.973 -3.191 -7.303 1.00 0.00 C ATOM 1083 C THR A 70 4.770 -4.487 -8.083 1.00 0.00 C ATOM 1084 O THR A 70 4.822 -5.600 -7.511 1.00 0.00 O ATOM 1085 CB THR A 70 6.465 -2.906 -7.229 1.00 0.00 C ATOM 1086 OG1 THR A 70 6.787 -2.371 -5.940 1.00 0.00 O ATOM 1087 CG2 THR A 70 6.843 -1.893 -8.275 1.00 0.00 C ATOM 0 H THR A 70 5.087 -3.661 -5.296 1.00 0.00 H new ATOM 0 HA THR A 70 4.456 -2.376 -7.809 1.00 0.00 H new ATOM 0 HB THR A 70 7.011 -3.834 -7.398 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.420 -1.466 -5.860 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.913 -1.693 -8.218 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.599 -2.282 -9.263 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.291 -0.969 -8.103 1.00 0.00 H new ATOM 1095 N THR A 71 4.530 -4.355 -9.374 1.00 0.00 N ATOM 1096 CA THR A 71 4.453 -5.506 -10.228 1.00 0.00 C ATOM 1097 C THR A 71 5.875 -5.884 -10.694 1.00 0.00 C ATOM 1098 O THR A 71 6.063 -6.882 -11.377 1.00 0.00 O ATOM 1099 CB THR A 71 3.489 -5.288 -11.456 1.00 0.00 C ATOM 1100 OG1 THR A 71 3.316 -6.515 -12.206 1.00 0.00 O ATOM 1101 CG2 THR A 71 4.019 -4.216 -12.393 1.00 0.00 C ATOM 0 H THR A 71 4.387 -3.462 -9.845 1.00 0.00 H new ATOM 0 HA THR A 71 4.024 -6.327 -9.654 1.00 0.00 H new ATOM 0 HB THR A 71 2.529 -4.969 -11.050 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.162 -7.010 -12.224 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.331 -4.091 -13.229 1.00 0.00 H new ATOM 0 HG22 THR A 71 4.110 -3.273 -11.853 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.997 -4.514 -12.770 1.00 0.00 H new ATOM 1109 N ASP A 72 6.877 -5.084 -10.296 1.00 0.00 N ATOM 1110 CA ASP A 72 8.248 -5.379 -10.630 1.00 0.00 C ATOM 1111 C ASP A 72 8.665 -6.536 -9.770 1.00 0.00 C ATOM 1112 O ASP A 72 8.526 -6.453 -8.573 1.00 0.00 O ATOM 1113 CB ASP A 72 9.134 -4.170 -10.335 1.00 0.00 C ATOM 1114 CG ASP A 72 10.597 -4.460 -10.546 1.00 0.00 C ATOM 1115 OD1 ASP A 72 11.082 -4.311 -11.680 1.00 0.00 O ATOM 1116 OD2 ASP A 72 11.286 -4.824 -9.574 1.00 0.00 O ATOM 0 H ASP A 72 6.748 -4.235 -9.745 1.00 0.00 H new ATOM 0 HA ASP A 72 8.347 -5.618 -11.689 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.836 -3.340 -10.976 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.975 -3.850 -9.305 1.00 0.00 H new ATOM 1121 N PRO A 73 9.158 -7.639 -10.356 1.00 0.00 N ATOM 1122 CA PRO A 73 9.488 -8.861 -9.604 1.00 0.00 C ATOM 1123 C PRO A 73 10.466 -8.633 -8.436 1.00 0.00 C ATOM 1124 O PRO A 73 10.407 -9.338 -7.413 1.00 0.00 O ATOM 1125 CB PRO A 73 10.109 -9.783 -10.659 1.00 0.00 C ATOM 1126 CG PRO A 73 9.627 -9.279 -11.952 1.00 0.00 C ATOM 1127 CD PRO A 73 9.443 -7.796 -11.797 1.00 0.00 C ATOM 0 HA PRO A 73 8.599 -9.271 -9.124 1.00 0.00 H new ATOM 0 HB2 PRO A 73 11.198 -9.759 -10.609 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.805 -10.818 -10.503 1.00 0.00 H new ATOM 0 HG2 PRO A 73 10.343 -9.499 -12.744 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.688 -9.759 -12.228 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.337 -7.246 -12.093 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.623 -7.426 -12.412 1.00 0.00 H new ATOM 1135 N ASN A 74 11.313 -7.648 -8.572 1.00 0.00 N ATOM 1136 CA ASN A 74 12.313 -7.344 -7.586 1.00 0.00 C ATOM 1137 C ASN A 74 11.771 -6.426 -6.482 1.00 0.00 C ATOM 1138 O ASN A 74 12.150 -6.553 -5.311 1.00 0.00 O ATOM 1139 CB ASN A 74 13.503 -6.689 -8.285 1.00 0.00 C ATOM 1140 CG ASN A 74 14.624 -6.318 -7.353 1.00 0.00 C ATOM 1141 OD1 ASN A 74 14.659 -5.212 -6.805 1.00 0.00 O ATOM 1142 ND2 ASN A 74 15.549 -7.212 -7.190 1.00 0.00 N ATOM 0 H ASN A 74 11.327 -7.027 -9.381 1.00 0.00 H new ATOM 0 HA ASN A 74 12.620 -8.272 -7.103 1.00 0.00 H new ATOM 0 HB2 ASN A 74 13.885 -7.369 -9.046 1.00 0.00 H new ATOM 0 HB3 ASN A 74 13.161 -5.793 -8.802 1.00 0.00 H new ATOM 0 HD21 ASN A 74 16.348 -7.015 -6.588 1.00 0.00 H new ATOM 0 HD22 ASN A 74 15.477 -8.112 -7.664 1.00 0.00 H new ATOM 1149 N LYS A 75 10.880 -5.530 -6.837 1.00 0.00 N ATOM 1150 CA LYS A 75 10.379 -4.549 -5.895 1.00 0.00 C ATOM 1151 C LYS A 75 9.077 -5.024 -5.285 1.00 0.00 C ATOM 1152 O LYS A 75 8.140 -5.308 -6.003 1.00 0.00 O ATOM 1153 CB LYS A 75 10.126 -3.228 -6.604 1.00 0.00 C ATOM 1154 CG LYS A 75 10.180 -2.015 -5.680 1.00 0.00 C ATOM 1155 CD LYS A 75 11.507 -1.934 -4.923 1.00 0.00 C ATOM 1156 CE LYS A 75 11.601 -0.687 -4.063 1.00 0.00 C ATOM 1157 NZ LYS A 75 11.805 0.539 -4.856 1.00 0.00 N ATOM 0 H LYS A 75 10.484 -5.458 -7.774 1.00 0.00 H new ATOM 0 HA LYS A 75 11.126 -4.415 -5.112 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.865 -3.104 -7.396 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.148 -3.265 -7.084 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.040 -1.106 -6.265 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.357 -2.065 -4.967 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.619 -2.817 -4.293 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.331 -1.945 -5.636 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.688 -0.587 -3.475 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.424 -0.799 -3.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.845 1.361 -4.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.698 0.466 -5.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.016 0.656 -5.524 1.00 0.00 H new ATOM 1171 N ARG A 76 8.985 -5.047 -3.976 1.00 0.00 N ATOM 1172 CA ARG A 76 7.772 -5.559 -3.356 1.00 0.00 C ATOM 1173 C ARG A 76 6.725 -4.466 -3.315 1.00 0.00 C ATOM 1174 O ARG A 76 5.606 -4.648 -3.787 1.00 0.00 O ATOM 1175 CB ARG A 76 8.021 -6.119 -1.953 1.00 0.00 C ATOM 1176 CG ARG A 76 6.885 -7.023 -1.484 1.00 0.00 C ATOM 1177 CD ARG A 76 7.110 -7.597 -0.092 1.00 0.00 C ATOM 1178 NE ARG A 76 6.096 -8.625 0.211 1.00 0.00 N ATOM 1179 CZ ARG A 76 5.390 -8.744 1.349 1.00 0.00 C ATOM 1180 NH1 ARG A 76 5.617 -7.936 2.372 1.00 0.00 N ATOM 1181 NH2 ARG A 76 4.463 -9.698 1.465 1.00 0.00 N ATOM 0 H ARG A 76 9.708 -4.729 -3.331 1.00 0.00 H new ATOM 0 HA ARG A 76 7.414 -6.390 -3.964 1.00 0.00 H new ATOM 0 HB2 ARG A 76 8.955 -6.680 -1.948 1.00 0.00 H new ATOM 0 HB3 ARG A 76 8.141 -5.294 -1.250 1.00 0.00 H new ATOM 0 HG2 ARG A 76 5.953 -6.457 -1.490 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.765 -7.842 -2.193 1.00 0.00 H new ATOM 0 HD2 ARG A 76 8.108 -8.031 -0.028 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.061 -6.799 0.649 1.00 0.00 H new ATOM 0 HE ARG A 76 5.912 -9.316 -0.517 1.00 0.00 H new ATOM 0 HH11 ARG A 76 6.334 -7.214 2.302 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.075 -8.036 3.230 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.290 -10.338 0.690 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.928 -9.787 2.329 1.00 0.00 H new ATOM 1195 N TRP A 77 7.097 -3.338 -2.775 1.00 0.00 N ATOM 1196 CA TRP A 77 6.227 -2.181 -2.729 1.00 0.00 C ATOM 1197 C TRP A 77 7.038 -0.919 -2.826 1.00 0.00 C ATOM 1198 O TRP A 77 8.264 -0.932 -2.632 1.00 0.00 O ATOM 1199 CB TRP A 77 5.341 -2.139 -1.448 1.00 0.00 C ATOM 1200 CG TRP A 77 6.094 -2.057 -0.132 1.00 0.00 C ATOM 1201 CD1 TRP A 77 6.510 -3.092 0.658 1.00 0.00 C ATOM 1202 CD2 TRP A 77 6.486 -0.857 0.557 1.00 0.00 C ATOM 1203 NE1 TRP A 77 7.177 -2.602 1.761 1.00 0.00 N ATOM 1204 CE2 TRP A 77 7.168 -1.243 1.723 1.00 0.00 C ATOM 1205 CE3 TRP A 77 6.341 0.502 0.287 1.00 0.00 C ATOM 1206 CZ2 TRP A 77 7.697 -0.321 2.617 1.00 0.00 C ATOM 1207 CZ3 TRP A 77 6.861 1.415 1.175 1.00 0.00 C ATOM 1208 CH2 TRP A 77 7.532 1.000 2.328 1.00 0.00 C ATOM 0 H TRP A 77 8.013 -3.189 -2.352 1.00 0.00 H new ATOM 0 HA TRP A 77 5.554 -2.261 -3.583 1.00 0.00 H new ATOM 0 HB2 TRP A 77 4.673 -1.280 -1.518 1.00 0.00 H new ATOM 0 HB3 TRP A 77 4.714 -3.030 -1.432 1.00 0.00 H new ATOM 0 HD1 TRP A 77 6.341 -4.138 0.449 1.00 0.00 H new ATOM 0 HE1 TRP A 77 7.609 -3.170 2.490 1.00 0.00 H new ATOM 0 HE3 TRP A 77 5.829 0.833 -0.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 8.219 -0.639 3.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 6.749 2.471 0.977 1.00 0.00 H new ATOM 0 HH2 TRP A 77 7.928 1.742 3.005 1.00 0.00 H new ATOM 1219 N GLU A 78 6.367 0.152 -3.107 1.00 0.00 N ATOM 1220 CA GLU A 78 6.975 1.470 -3.157 1.00 0.00 C ATOM 1221 C GLU A 78 6.000 2.485 -2.663 1.00 0.00 C ATOM 1222 O GLU A 78 4.799 2.210 -2.593 1.00 0.00 O ATOM 1223 CB GLU A 78 7.404 1.901 -4.560 1.00 0.00 C ATOM 1224 CG GLU A 78 8.415 1.031 -5.239 1.00 0.00 C ATOM 1225 CD GLU A 78 9.022 1.722 -6.418 1.00 0.00 C ATOM 1226 OE1 GLU A 78 8.335 1.956 -7.399 1.00 0.00 O ATOM 1227 OE2 GLU A 78 10.223 2.059 -6.353 1.00 0.00 O ATOM 0 H GLU A 78 5.368 0.150 -3.313 1.00 0.00 H new ATOM 0 HA GLU A 78 7.868 1.408 -2.535 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.516 1.950 -5.190 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.807 2.912 -4.499 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.198 0.759 -4.531 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.942 0.104 -5.562 1.00 0.00 H new ATOM 1234 N TYR A 79 6.503 3.655 -2.349 1.00 0.00 N ATOM 1235 CA TYR A 79 5.680 4.748 -1.944 1.00 0.00 C ATOM 1236 C TYR A 79 5.109 5.438 -3.158 1.00 0.00 C ATOM 1237 O TYR A 79 5.626 5.297 -4.273 1.00 0.00 O ATOM 1238 CB TYR A 79 6.456 5.758 -1.094 1.00 0.00 C ATOM 1239 CG TYR A 79 6.689 5.342 0.340 1.00 0.00 C ATOM 1240 CD1 TYR A 79 5.650 5.392 1.251 1.00 0.00 C ATOM 1241 CD2 TYR A 79 7.938 4.924 0.791 1.00 0.00 C ATOM 1242 CE1 TYR A 79 5.832 5.040 2.566 1.00 0.00 C ATOM 1243 CE2 TYR A 79 8.133 4.568 2.118 1.00 0.00 C ATOM 1244 CZ TYR A 79 7.068 4.628 3.001 1.00 0.00 C ATOM 1245 OH TYR A 79 7.241 4.286 4.330 1.00 0.00 O ATOM 0 H TYR A 79 7.500 3.867 -2.370 1.00 0.00 H new ATOM 0 HA TYR A 79 4.872 4.346 -1.333 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.422 5.940 -1.565 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.916 6.705 -1.098 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.674 5.715 0.921 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.766 4.876 0.099 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.004 5.087 3.258 1.00 0.00 H new ATOM 0 HE2 TYR A 79 9.106 4.247 2.459 1.00 0.00 H new ATOM 0 HH TYR A 79 6.365 4.187 4.759 1.00 0.00 H new ATOM 1255 N CYS A 80 4.055 6.131 -2.954 1.00 0.00 N ATOM 1256 CA CYS A 80 3.416 6.886 -3.978 1.00 0.00 C ATOM 1257 C CYS A 80 3.678 8.349 -3.756 1.00 0.00 C ATOM 1258 O CYS A 80 3.603 8.842 -2.624 1.00 0.00 O ATOM 1259 CB CYS A 80 1.934 6.619 -3.941 1.00 0.00 C ATOM 1260 SG CYS A 80 1.467 4.936 -4.355 1.00 0.00 S ATOM 0 H CYS A 80 3.594 6.195 -2.046 1.00 0.00 H new ATOM 0 HA CYS A 80 3.810 6.595 -4.952 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.561 6.850 -2.943 1.00 0.00 H new ATOM 0 HB3 CYS A 80 1.438 7.300 -4.632 1.00 0.00 H new ATOM 1265 N ASP A 81 3.986 9.045 -4.806 1.00 0.00 N ATOM 1266 CA ASP A 81 4.270 10.447 -4.714 1.00 0.00 C ATOM 1267 C ASP A 81 2.995 11.242 -4.885 1.00 0.00 C ATOM 1268 O ASP A 81 2.583 11.566 -5.998 1.00 0.00 O ATOM 1269 CB ASP A 81 5.333 10.864 -5.728 1.00 0.00 C ATOM 1270 CG ASP A 81 5.643 12.336 -5.662 1.00 0.00 C ATOM 1271 OD1 ASP A 81 5.962 12.833 -4.567 1.00 0.00 O ATOM 1272 OD2 ASP A 81 5.628 13.007 -6.720 1.00 0.00 O ATOM 0 H ASP A 81 4.048 8.661 -5.749 1.00 0.00 H new ATOM 0 HA ASP A 81 4.676 10.658 -3.725 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.245 10.295 -5.549 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.992 10.612 -6.732 1.00 0.00 H new ATOM 1277 N ILE A 82 2.322 11.443 -3.784 1.00 0.00 N ATOM 1278 CA ILE A 82 1.090 12.179 -3.744 1.00 0.00 C ATOM 1279 C ILE A 82 1.233 13.313 -2.732 1.00 0.00 C ATOM 1280 O ILE A 82 1.617 13.056 -1.585 1.00 0.00 O ATOM 1281 CB ILE A 82 -0.078 11.265 -3.288 1.00 0.00 C ATOM 1282 CG1 ILE A 82 -0.040 9.943 -4.067 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -1.423 11.978 -3.486 1.00 0.00 C ATOM 1284 CD1 ILE A 82 -1.160 8.979 -3.733 1.00 0.00 C ATOM 0 H ILE A 82 2.621 11.093 -2.874 1.00 0.00 H new ATOM 0 HA ILE A 82 0.876 12.564 -4.741 1.00 0.00 H new ATOM 0 HB ILE A 82 0.035 11.046 -2.226 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.076 10.164 -5.134 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.914 9.451 -3.875 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.233 11.324 -3.162 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.439 12.895 -2.897 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.554 12.222 -4.540 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.052 8.074 -4.331 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.115 8.722 -2.675 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.120 9.446 -3.953 1.00 0.00 H new ATOM 1296 N PRO A 83 1.028 14.571 -3.159 1.00 0.00 N ATOM 1297 CA PRO A 83 1.009 15.745 -2.261 1.00 0.00 C ATOM 1298 C PRO A 83 0.079 15.542 -1.061 1.00 0.00 C ATOM 1299 O PRO A 83 -0.959 14.923 -1.188 1.00 0.00 O ATOM 1300 CB PRO A 83 0.408 16.803 -3.160 1.00 0.00 C ATOM 1301 CG PRO A 83 0.948 16.485 -4.490 1.00 0.00 C ATOM 1302 CD PRO A 83 0.864 14.985 -4.577 1.00 0.00 C ATOM 0 HA PRO A 83 1.992 15.970 -1.846 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -0.681 16.763 -3.151 1.00 0.00 H new ATOM 0 HB3 PRO A 83 0.693 17.806 -2.842 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.367 16.962 -5.279 1.00 0.00 H new ATOM 0 HG3 PRO A 83 1.976 16.833 -4.596 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -0.090 14.655 -4.988 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.646 14.571 -5.214 1.00 0.00 H new ATOM 1310 N ARG A 84 0.443 16.070 0.073 1.00 0.00 N ATOM 1311 CA ARG A 84 -0.327 15.928 1.281 1.00 0.00 C ATOM 1312 C ARG A 84 -0.706 17.307 1.835 1.00 0.00 C ATOM 1313 O ARG A 84 0.111 18.223 1.818 1.00 0.00 O ATOM 1314 CB ARG A 84 0.546 15.183 2.269 1.00 0.00 C ATOM 1315 CG ARG A 84 -0.016 14.989 3.649 1.00 0.00 C ATOM 1316 CD ARG A 84 1.048 14.363 4.502 1.00 0.00 C ATOM 1317 NE ARG A 84 0.679 14.265 5.911 1.00 0.00 N ATOM 1318 CZ ARG A 84 1.560 14.257 6.926 1.00 0.00 C ATOM 1319 NH1 ARG A 84 2.880 14.255 6.671 1.00 0.00 N ATOM 1320 NH2 ARG A 84 1.127 14.232 8.182 1.00 0.00 N ATOM 0 H ARG A 84 1.295 16.619 0.188 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.254 15.386 1.094 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.772 14.202 1.852 1.00 0.00 H new ATOM 0 HB3 ARG A 84 1.492 15.717 2.358 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.328 15.944 4.070 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.900 14.352 3.614 1.00 0.00 H new ATOM 0 HD2 ARG A 84 1.268 13.366 4.122 1.00 0.00 H new ATOM 0 HD3 ARG A 84 1.964 14.947 4.414 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.313 14.198 6.140 1.00 0.00 H new ATOM 0 HH11 ARG A 84 3.213 14.260 5.707 1.00 0.00 H new ATOM 0 HH12 ARG A 84 3.548 14.249 7.442 1.00 0.00 H new ATOM 0 HH21 ARG A 84 0.126 14.219 8.376 1.00 0.00 H new ATOM 0 HH22 ARG A 84 1.796 14.226 8.952 1.00 0.00 H new ATOM 1334 N CYS A 85 -1.942 17.459 2.267 1.00 0.00 N ATOM 1335 CA CYS A 85 -2.384 18.680 2.916 1.00 0.00 C ATOM 1336 C CYS A 85 -2.347 18.528 4.430 1.00 0.00 C ATOM 1337 O CYS A 85 -2.177 17.420 4.950 1.00 0.00 O ATOM 1338 CB CYS A 85 -3.786 19.111 2.450 1.00 0.00 C ATOM 1339 SG CYS A 85 -3.812 20.147 0.941 1.00 0.00 S ATOM 0 H CYS A 85 -2.665 16.745 2.180 1.00 0.00 H new ATOM 0 HA CYS A 85 -1.690 19.468 2.624 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -4.384 18.217 2.270 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -4.269 19.660 3.258 1.00 0.00 H new ATOM 1344 N ALA A 86 -2.546 19.630 5.127 1.00 0.00 N ATOM 1345 CA ALA A 86 -2.506 19.702 6.587 1.00 0.00 C ATOM 1346 C ALA A 86 -3.898 19.465 7.180 1.00 0.00 C ATOM 1347 O ALA A 86 -4.250 19.994 8.249 1.00 0.00 O ATOM 1348 CB ALA A 86 -1.997 21.076 6.990 1.00 0.00 C ATOM 0 H ALA A 86 -2.746 20.528 4.687 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.841 18.928 6.970 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.961 21.146 8.077 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -0.997 21.227 6.583 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.667 21.841 6.599 1.00 0.00 H new ATOM 1354 N ALA A 87 -4.657 18.652 6.507 1.00 0.00 N ATOM 1355 CA ALA A 87 -5.992 18.311 6.890 1.00 0.00 C ATOM 1356 C ALA A 87 -6.034 16.822 7.089 1.00 0.00 C ATOM 1357 O ALA A 87 -6.418 16.358 8.177 1.00 0.00 O ATOM 1358 CB ALA A 87 -6.980 18.746 5.817 1.00 0.00 C ATOM 1359 OXT ALA A 87 -5.566 16.107 6.191 1.00 0.00 O ATOM 0 H ALA A 87 -4.352 18.194 5.648 1.00 0.00 H new ATOM 0 HA ALA A 87 -6.273 18.822 7.811 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -7.991 18.479 6.124 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.916 19.825 5.679 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -6.742 18.245 4.879 1.00 0.00 H new TER 1365 ALA A 87 ATOM 1366 N GLY B 99 -4.740 -6.338 23.127 1.00 0.00 N ATOM 1367 CA GLY B 99 -3.475 -6.986 22.793 1.00 0.00 C ATOM 1368 C GLY B 99 -3.500 -8.461 23.118 1.00 0.00 C ATOM 1369 O GLY B 99 -2.457 -9.073 23.360 1.00 0.00 O ATOM 0 HA2 GLY B 99 -3.266 -6.851 21.732 1.00 0.00 H new ATOM 0 HA3 GLY B 99 -2.664 -6.506 23.341 1.00 0.00 H new ATOM 1375 N SER B 100 -4.670 -9.052 23.091 1.00 0.00 N ATOM 1376 CA SER B 100 -4.817 -10.444 23.433 1.00 0.00 C ATOM 1377 C SER B 100 -4.675 -11.272 22.170 1.00 0.00 C ATOM 1378 O SER B 100 -5.683 -11.627 21.551 1.00 0.00 O ATOM 1379 CB SER B 100 -6.181 -10.650 24.084 1.00 0.00 C ATOM 1380 OG SER B 100 -6.332 -9.740 25.173 1.00 0.00 O ATOM 0 H SER B 100 -5.540 -8.585 22.833 1.00 0.00 H new ATOM 0 HA SER B 100 -4.049 -10.757 24.140 1.00 0.00 H new ATOM 0 HB2 SER B 100 -6.973 -10.492 23.352 1.00 0.00 H new ATOM 0 HB3 SER B 100 -6.275 -11.676 24.438 1.00 0.00 H new ATOM 0 HG SER B 100 -7.209 -9.871 25.590 1.00 0.00 H new ATOM 1386 N VAL B 101 -3.387 -11.525 21.772 1.00 0.00 N ATOM 1387 CA VAL B 101 -3.022 -12.139 20.470 1.00 0.00 C ATOM 1388 C VAL B 101 -3.913 -11.590 19.382 1.00 0.00 C ATOM 1389 O VAL B 101 -4.530 -12.319 18.602 1.00 0.00 O ATOM 1390 CB VAL B 101 -2.927 -13.714 20.456 1.00 0.00 C ATOM 1391 CG1 VAL B 101 -1.745 -14.176 21.283 1.00 0.00 C ATOM 1392 CG2 VAL B 101 -4.199 -14.387 20.958 1.00 0.00 C ATOM 0 H VAL B 101 -2.578 -11.305 22.353 1.00 0.00 H new ATOM 0 HA VAL B 101 -1.991 -11.845 20.274 1.00 0.00 H new ATOM 0 HB VAL B 101 -2.792 -14.010 19.416 1.00 0.00 H new ATOM 0 HG11 VAL B 101 -1.691 -15.265 21.265 1.00 0.00 H new ATOM 0 HG12 VAL B 101 -0.826 -13.760 20.869 1.00 0.00 H new ATOM 0 HG13 VAL B 101 -1.865 -13.836 22.312 1.00 0.00 H new ATOM 0 HG21 VAL B 101 -4.075 -15.469 20.926 1.00 0.00 H new ATOM 0 HG22 VAL B 101 -4.395 -14.075 21.984 1.00 0.00 H new ATOM 0 HG23 VAL B 101 -5.038 -14.099 20.324 1.00 0.00 H new ATOM 1402 N GLU B 102 -3.908 -10.266 19.322 1.00 0.00 N ATOM 1403 CA GLU B 102 -4.864 -9.430 18.594 1.00 0.00 C ATOM 1404 C GLU B 102 -4.723 -9.509 17.074 1.00 0.00 C ATOM 1405 O GLU B 102 -5.359 -8.774 16.338 1.00 0.00 O ATOM 1406 CB GLU B 102 -4.661 -7.999 19.038 1.00 0.00 C ATOM 1407 CG GLU B 102 -5.933 -7.240 19.105 1.00 0.00 C ATOM 1408 CD GLU B 102 -6.791 -7.724 20.244 1.00 0.00 C ATOM 1409 OE1 GLU B 102 -6.398 -7.521 21.428 1.00 0.00 O ATOM 1410 OE2 GLU B 102 -7.870 -8.290 20.002 1.00 0.00 O ATOM 0 H GLU B 102 -3.200 -9.712 19.805 1.00 0.00 H new ATOM 0 HA GLU B 102 -5.864 -9.798 18.825 1.00 0.00 H new ATOM 0 HB2 GLU B 102 -4.184 -7.990 20.018 1.00 0.00 H new ATOM 0 HB3 GLU B 102 -3.980 -7.501 18.348 1.00 0.00 H new ATOM 0 HG2 GLU B 102 -5.721 -6.178 19.231 1.00 0.00 H new ATOM 0 HG3 GLU B 102 -6.475 -7.348 18.165 1.00 0.00 H new ATOM 1417 N LYS B 103 -3.969 -10.444 16.639 1.00 0.00 N ATOM 1418 CA LYS B 103 -3.645 -10.659 15.245 1.00 0.00 C ATOM 1419 C LYS B 103 -4.922 -11.067 14.462 1.00 0.00 C ATOM 1420 O LYS B 103 -4.987 -10.946 13.241 1.00 0.00 O ATOM 1421 CB LYS B 103 -2.532 -11.737 15.190 1.00 0.00 C ATOM 1422 CG LYS B 103 -1.698 -11.817 13.904 1.00 0.00 C ATOM 1423 CD LYS B 103 -2.427 -12.460 12.748 1.00 0.00 C ATOM 1424 CE LYS B 103 -1.555 -12.491 11.521 1.00 0.00 C ATOM 1425 NZ LYS B 103 -2.234 -13.142 10.387 1.00 0.00 N ATOM 0 H LYS B 103 -3.529 -11.124 17.259 1.00 0.00 H new ATOM 0 HA LYS B 103 -3.276 -9.750 14.770 1.00 0.00 H new ATOM 0 HB2 LYS B 103 -1.852 -11.564 16.024 1.00 0.00 H new ATOM 0 HB3 LYS B 103 -2.995 -12.710 15.354 1.00 0.00 H new ATOM 0 HG2 LYS B 103 -1.393 -10.811 13.616 1.00 0.00 H new ATOM 0 HG3 LYS B 103 -0.787 -12.380 14.106 1.00 0.00 H new ATOM 0 HD2 LYS B 103 -2.722 -13.474 13.016 1.00 0.00 H new ATOM 0 HD3 LYS B 103 -3.342 -11.907 12.536 1.00 0.00 H new ATOM 0 HE2 LYS B 103 -1.279 -11.473 11.245 1.00 0.00 H new ATOM 0 HE3 LYS B 103 -0.630 -13.022 11.745 1.00 0.00 H new ATOM 0 HZ1 LYS B 103 -1.549 -13.313 9.624 1.00 0.00 H new ATOM 0 HZ2 LYS B 103 -2.639 -14.048 10.698 1.00 0.00 H new ATOM 0 HZ3 LYS B 103 -2.995 -12.525 10.037 1.00 0.00 H new ATOM 1439 N LEU B 104 -5.950 -11.505 15.186 1.00 0.00 N ATOM 1440 CA LEU B 104 -7.220 -11.867 14.565 1.00 0.00 C ATOM 1441 C LEU B 104 -8.006 -10.635 14.187 1.00 0.00 C ATOM 1442 O LEU B 104 -8.925 -10.698 13.361 1.00 0.00 O ATOM 1443 CB LEU B 104 -8.047 -12.802 15.441 1.00 0.00 C ATOM 1444 CG LEU B 104 -7.383 -14.124 15.842 1.00 0.00 C ATOM 1445 CD1 LEU B 104 -8.329 -14.947 16.689 1.00 0.00 C ATOM 1446 CD2 LEU B 104 -6.939 -14.915 14.616 1.00 0.00 C ATOM 0 H LEU B 104 -5.928 -11.617 16.200 1.00 0.00 H new ATOM 0 HA LEU B 104 -6.985 -12.416 13.653 1.00 0.00 H new ATOM 0 HB2 LEU B 104 -8.319 -12.267 16.351 1.00 0.00 H new ATOM 0 HB3 LEU B 104 -8.975 -13.031 14.916 1.00 0.00 H new ATOM 0 HG LEU B 104 -6.494 -13.892 16.428 1.00 0.00 H new ATOM 0 HD11 LEU B 104 -7.846 -15.884 16.968 1.00 0.00 H new ATOM 0 HD12 LEU B 104 -8.589 -14.391 17.590 1.00 0.00 H new ATOM 0 HD13 LEU B 104 -9.234 -15.160 16.121 1.00 0.00 H new ATOM 0 HD21 LEU B 104 -6.472 -15.847 14.934 1.00 0.00 H new ATOM 0 HD22 LEU B 104 -7.805 -15.137 13.993 1.00 0.00 H new ATOM 0 HD23 LEU B 104 -6.222 -14.327 14.044 1.00 0.00 H new ATOM 1458 N THR B 105 -7.638 -9.523 14.761 1.00 0.00 N ATOM 1459 CA THR B 105 -8.224 -8.297 14.404 1.00 0.00 C ATOM 1460 C THR B 105 -7.634 -7.838 13.078 1.00 0.00 C ATOM 1461 O THR B 105 -6.413 -7.781 12.930 1.00 0.00 O ATOM 1462 CB THR B 105 -7.988 -7.250 15.475 1.00 0.00 C ATOM 1463 OG1 THR B 105 -8.655 -7.631 16.676 1.00 0.00 O ATOM 1464 CG2 THR B 105 -8.458 -5.898 15.030 1.00 0.00 C ATOM 0 H THR B 105 -6.923 -9.459 15.486 1.00 0.00 H new ATOM 0 HA THR B 105 -9.301 -8.431 14.304 1.00 0.00 H new ATOM 0 HB THR B 105 -6.916 -7.186 15.659 1.00 0.00 H new ATOM 0 HG1 THR B 105 -8.499 -6.953 17.366 1.00 0.00 H new ATOM 0 HG21 THR B 105 -8.274 -5.171 15.821 1.00 0.00 H new ATOM 0 HG22 THR B 105 -7.916 -5.602 14.132 1.00 0.00 H new ATOM 0 HG23 THR B 105 -9.526 -5.937 14.814 1.00 0.00 H new ATOM 1472 N ALA B 106 -8.501 -7.536 12.130 1.00 0.00 N ATOM 1473 CA ALA B 106 -8.106 -7.103 10.794 1.00 0.00 C ATOM 1474 C ALA B 106 -7.153 -5.921 10.850 1.00 0.00 C ATOM 1475 O ALA B 106 -6.132 -5.920 10.185 1.00 0.00 O ATOM 1476 CB ALA B 106 -9.329 -6.773 9.957 1.00 0.00 C ATOM 0 H ALA B 106 -9.511 -7.583 12.263 1.00 0.00 H new ATOM 0 HA ALA B 106 -7.575 -7.929 10.320 1.00 0.00 H new ATOM 0 HB1 ALA B 106 -9.014 -6.452 8.964 1.00 0.00 H new ATOM 0 HB2 ALA B 106 -9.960 -7.658 9.870 1.00 0.00 H new ATOM 0 HB3 ALA B 106 -9.892 -5.972 10.436 1.00 0.00 H new ATOM 1482 N ASP B 107 -7.464 -4.952 11.686 1.00 0.00 N ATOM 1483 CA ASP B 107 -6.632 -3.767 11.836 1.00 0.00 C ATOM 1484 C ASP B 107 -5.260 -4.116 12.368 1.00 0.00 C ATOM 1485 O ASP B 107 -4.264 -3.605 11.896 1.00 0.00 O ATOM 1486 CB ASP B 107 -7.276 -2.745 12.761 1.00 0.00 C ATOM 1487 CG ASP B 107 -8.507 -2.112 12.200 1.00 0.00 C ATOM 1488 OD1 ASP B 107 -9.613 -2.644 12.415 1.00 0.00 O ATOM 1489 OD2 ASP B 107 -8.397 -1.070 11.538 1.00 0.00 O ATOM 0 H ASP B 107 -8.294 -4.959 12.279 1.00 0.00 H new ATOM 0 HA ASP B 107 -6.530 -3.334 10.841 1.00 0.00 H new ATOM 0 HB2 ASP B 107 -7.526 -3.230 13.704 1.00 0.00 H new ATOM 0 HB3 ASP B 107 -6.549 -1.965 12.987 1.00 0.00 H new ATOM 1494 N ALA B 108 -5.213 -5.014 13.325 1.00 0.00 N ATOM 1495 CA ALA B 108 -3.954 -5.411 13.922 1.00 0.00 C ATOM 1496 C ALA B 108 -3.159 -6.271 12.952 1.00 0.00 C ATOM 1497 O ALA B 108 -1.932 -6.240 12.938 1.00 0.00 O ATOM 1498 CB ALA B 108 -4.181 -6.131 15.234 1.00 0.00 C ATOM 0 H ALA B 108 -6.032 -5.485 13.709 1.00 0.00 H new ATOM 0 HA ALA B 108 -3.374 -4.514 14.136 1.00 0.00 H new ATOM 0 HB1 ALA B 108 -3.221 -6.419 15.662 1.00 0.00 H new ATOM 0 HB2 ALA B 108 -4.703 -5.470 15.926 1.00 0.00 H new ATOM 0 HB3 ALA B 108 -4.783 -7.023 15.060 1.00 0.00 H new ATOM 1504 N GLU B 109 -3.865 -7.024 12.130 1.00 0.00 N ATOM 1505 CA GLU B 109 -3.239 -7.816 11.106 1.00 0.00 C ATOM 1506 C GLU B 109 -2.641 -6.903 10.040 1.00 0.00 C ATOM 1507 O GLU B 109 -1.510 -7.100 9.620 1.00 0.00 O ATOM 1508 CB GLU B 109 -4.225 -8.818 10.497 1.00 0.00 C ATOM 1509 CG GLU B 109 -3.621 -9.674 9.397 1.00 0.00 C ATOM 1510 CD GLU B 109 -4.530 -10.778 8.944 1.00 0.00 C ATOM 1511 OE1 GLU B 109 -5.403 -10.554 8.098 1.00 0.00 O ATOM 1512 OE2 GLU B 109 -4.381 -11.919 9.431 1.00 0.00 O ATOM 0 H GLU B 109 -4.882 -7.099 12.158 1.00 0.00 H new ATOM 0 HA GLU B 109 -2.434 -8.396 11.556 1.00 0.00 H new ATOM 0 HB2 GLU B 109 -4.603 -9.468 11.286 1.00 0.00 H new ATOM 0 HB3 GLU B 109 -5.080 -8.275 10.095 1.00 0.00 H new ATOM 0 HG2 GLU B 109 -3.376 -9.040 8.545 1.00 0.00 H new ATOM 0 HG3 GLU B 109 -2.685 -10.105 9.753 1.00 0.00 H new ATOM 1519 N LEU B 110 -3.382 -5.874 9.651 1.00 0.00 N ATOM 1520 CA LEU B 110 -2.916 -4.930 8.656 1.00 0.00 C ATOM 1521 C LEU B 110 -1.771 -4.104 9.207 1.00 0.00 C ATOM 1522 O LEU B 110 -0.851 -3.733 8.498 1.00 0.00 O ATOM 1523 CB LEU B 110 -4.106 -4.114 8.105 1.00 0.00 C ATOM 1524 CG LEU B 110 -4.800 -3.011 8.903 1.00 0.00 C ATOM 1525 CD1 LEU B 110 -4.046 -1.742 8.855 1.00 0.00 C ATOM 1526 CD2 LEU B 110 -6.178 -2.783 8.335 1.00 0.00 C ATOM 0 H LEU B 110 -4.314 -5.675 10.015 1.00 0.00 H new ATOM 0 HA LEU B 110 -2.498 -5.453 7.796 1.00 0.00 H new ATOM 0 HB2 LEU B 110 -3.764 -3.656 7.177 1.00 0.00 H new ATOM 0 HB3 LEU B 110 -4.878 -4.835 7.838 1.00 0.00 H new ATOM 0 HG LEU B 110 -4.857 -3.333 9.943 1.00 0.00 H new ATOM 0 HD11 LEU B 110 -4.573 -0.984 9.434 1.00 0.00 H new ATOM 0 HD12 LEU B 110 -3.052 -1.894 9.275 1.00 0.00 H new ATOM 0 HD13 LEU B 110 -3.957 -1.411 7.820 1.00 0.00 H new ATOM 0 HD21 LEU B 110 -6.679 -1.997 8.900 1.00 0.00 H new ATOM 0 HD22 LEU B 110 -6.096 -2.483 7.290 1.00 0.00 H new ATOM 0 HD23 LEU B 110 -6.757 -3.704 8.404 1.00 0.00 H new ATOM 1538 N GLN B 111 -1.839 -3.873 10.485 1.00 0.00 N ATOM 1539 CA GLN B 111 -0.775 -3.219 11.251 1.00 0.00 C ATOM 1540 C GLN B 111 0.499 -4.091 11.215 1.00 0.00 C ATOM 1541 O GLN B 111 1.604 -3.600 10.999 1.00 0.00 O ATOM 1542 CB GLN B 111 -1.257 -3.030 12.689 1.00 0.00 C ATOM 1543 CG GLN B 111 -0.276 -2.393 13.653 1.00 0.00 C ATOM 1544 CD GLN B 111 -0.853 -2.332 15.055 1.00 0.00 C ATOM 1545 OE1 GLN B 111 -1.667 -3.172 15.442 1.00 0.00 O ATOM 1546 NE2 GLN B 111 -0.444 -1.368 15.828 1.00 0.00 N ATOM 0 H GLN B 111 -2.646 -4.133 11.052 1.00 0.00 H new ATOM 0 HA GLN B 111 -0.538 -2.247 10.819 1.00 0.00 H new ATOM 0 HB2 GLN B 111 -2.160 -2.420 12.669 1.00 0.00 H new ATOM 0 HB3 GLN B 111 -1.540 -4.005 13.085 1.00 0.00 H new ATOM 0 HG2 GLN B 111 0.653 -2.964 13.663 1.00 0.00 H new ATOM 0 HG3 GLN B 111 -0.028 -1.387 13.314 1.00 0.00 H new ATOM 0 HE21 GLN B 111 0.231 -0.687 15.480 1.00 0.00 H new ATOM 0 HE22 GLN B 111 -0.798 -1.294 16.782 1.00 0.00 H new ATOM 1555 N ARG B 112 0.312 -5.381 11.412 1.00 0.00 N ATOM 1556 CA ARG B 112 1.385 -6.379 11.360 1.00 0.00 C ATOM 1557 C ARG B 112 1.963 -6.444 9.964 1.00 0.00 C ATOM 1558 O ARG B 112 3.158 -6.485 9.791 1.00 0.00 O ATOM 1559 CB ARG B 112 0.827 -7.739 11.726 1.00 0.00 C ATOM 1560 CG ARG B 112 1.860 -8.841 11.752 1.00 0.00 C ATOM 1561 CD ARG B 112 1.239 -10.161 12.067 1.00 0.00 C ATOM 1562 NE ARG B 112 2.183 -11.263 11.865 1.00 0.00 N ATOM 1563 CZ ARG B 112 2.423 -12.262 12.724 1.00 0.00 C ATOM 1564 NH1 ARG B 112 1.944 -12.213 13.969 1.00 0.00 N ATOM 1565 NH2 ARG B 112 3.209 -13.273 12.357 1.00 0.00 N ATOM 0 H ARG B 112 -0.603 -5.782 11.617 1.00 0.00 H new ATOM 0 HA ARG B 112 2.167 -6.096 12.064 1.00 0.00 H new ATOM 0 HB2 ARG B 112 0.355 -7.675 12.706 1.00 0.00 H new ATOM 0 HB3 ARG B 112 0.046 -8.004 11.013 1.00 0.00 H new ATOM 0 HG2 ARG B 112 2.362 -8.894 10.786 1.00 0.00 H new ATOM 0 HG3 ARG B 112 2.623 -8.609 12.495 1.00 0.00 H new ATOM 0 HD2 ARG B 112 0.892 -10.163 13.100 1.00 0.00 H new ATOM 0 HD3 ARG B 112 0.363 -10.311 11.436 1.00 0.00 H new ATOM 0 HE ARG B 112 2.706 -11.270 10.989 1.00 0.00 H new ATOM 0 HH11 ARG B 112 1.391 -11.411 14.272 1.00 0.00 H new ATOM 0 HH12 ARG B 112 2.131 -12.978 14.618 1.00 0.00 H new ATOM 0 HH21 ARG B 112 3.625 -13.284 11.426 1.00 0.00 H new ATOM 0 HH22 ARG B 112 3.395 -14.036 13.007 1.00 0.00 H new ATOM 1579 N LEU B 113 1.096 -6.482 8.989 1.00 0.00 N ATOM 1580 CA LEU B 113 1.497 -6.486 7.576 1.00 0.00 C ATOM 1581 C LEU B 113 2.264 -5.219 7.229 1.00 0.00 C ATOM 1582 O LEU B 113 3.240 -5.254 6.473 1.00 0.00 O ATOM 1583 CB LEU B 113 0.280 -6.628 6.670 1.00 0.00 C ATOM 1584 CG LEU B 113 -0.499 -7.933 6.790 1.00 0.00 C ATOM 1585 CD1 LEU B 113 -1.737 -7.887 5.924 1.00 0.00 C ATOM 1586 CD2 LEU B 113 0.377 -9.110 6.404 1.00 0.00 C ATOM 0 H LEU B 113 0.087 -6.511 9.134 1.00 0.00 H new ATOM 0 HA LEU B 113 2.152 -7.343 7.415 1.00 0.00 H new ATOM 0 HB2 LEU B 113 -0.400 -5.802 6.878 1.00 0.00 H new ATOM 0 HB3 LEU B 113 0.608 -6.518 5.636 1.00 0.00 H new ATOM 0 HG LEU B 113 -0.807 -8.060 7.828 1.00 0.00 H new ATOM 0 HD11 LEU B 113 -2.283 -8.825 6.020 1.00 0.00 H new ATOM 0 HD12 LEU B 113 -2.374 -7.062 6.243 1.00 0.00 H new ATOM 0 HD13 LEU B 113 -1.448 -7.740 4.883 1.00 0.00 H new ATOM 0 HD21 LEU B 113 -0.194 -10.034 6.495 1.00 0.00 H new ATOM 0 HD22 LEU B 113 0.713 -8.991 5.374 1.00 0.00 H new ATOM 0 HD23 LEU B 113 1.242 -9.152 7.065 1.00 0.00 H new ATOM 1598 N LYS B 114 1.824 -4.114 7.795 1.00 0.00 N ATOM 1599 CA LYS B 114 2.475 -2.838 7.625 1.00 0.00 C ATOM 1600 C LYS B 114 3.877 -2.932 8.192 1.00 0.00 C ATOM 1601 O LYS B 114 4.854 -2.564 7.546 1.00 0.00 O ATOM 1602 CB LYS B 114 1.674 -1.762 8.354 1.00 0.00 C ATOM 1603 CG LYS B 114 2.097 -0.353 8.031 1.00 0.00 C ATOM 1604 CD LYS B 114 1.159 0.664 8.635 1.00 0.00 C ATOM 1605 CE LYS B 114 1.412 0.917 10.100 1.00 0.00 C ATOM 1606 NZ LYS B 114 0.495 1.940 10.629 1.00 0.00 N ATOM 0 H LYS B 114 0.997 -4.080 8.391 1.00 0.00 H new ATOM 0 HA LYS B 114 2.530 -2.575 6.569 1.00 0.00 H new ATOM 0 HB2 LYS B 114 0.619 -1.879 8.105 1.00 0.00 H new ATOM 0 HB3 LYS B 114 1.768 -1.920 9.428 1.00 0.00 H new ATOM 0 HG2 LYS B 114 3.107 -0.182 8.403 1.00 0.00 H new ATOM 0 HG3 LYS B 114 2.129 -0.221 6.949 1.00 0.00 H new ATOM 0 HD2 LYS B 114 1.254 1.603 8.090 1.00 0.00 H new ATOM 0 HD3 LYS B 114 0.132 0.322 8.505 1.00 0.00 H new ATOM 0 HE2 LYS B 114 1.288 -0.011 10.659 1.00 0.00 H new ATOM 0 HE3 LYS B 114 2.443 1.240 10.243 1.00 0.00 H new ATOM 0 HZ1 LYS B 114 0.669 2.069 11.646 1.00 0.00 H new ATOM 0 HZ2 LYS B 114 0.656 2.840 10.133 1.00 0.00 H new ATOM 0 HZ3 LYS B 114 -0.488 1.634 10.482 1.00 0.00 H new ATOM 1620 N ASN B 115 3.949 -3.451 9.389 1.00 0.00 N ATOM 1621 CA ASN B 115 5.199 -3.716 10.102 1.00 0.00 C ATOM 1622 C ASN B 115 6.085 -4.641 9.298 1.00 0.00 C ATOM 1623 O ASN B 115 7.257 -4.379 9.142 1.00 0.00 O ATOM 1624 CB ASN B 115 4.870 -4.311 11.479 1.00 0.00 C ATOM 1625 CG ASN B 115 4.662 -3.265 12.552 1.00 0.00 C ATOM 1626 OD1 ASN B 115 5.312 -2.216 12.546 1.00 0.00 O ATOM 1627 ND2 ASN B 115 3.730 -3.498 13.443 1.00 0.00 N ATOM 0 H ASN B 115 3.121 -3.714 9.923 1.00 0.00 H new ATOM 0 HA ASN B 115 5.748 -2.785 10.241 1.00 0.00 H new ATOM 0 HB2 ASN B 115 3.970 -4.921 11.397 1.00 0.00 H new ATOM 0 HB3 ASN B 115 5.679 -4.976 11.782 1.00 0.00 H new ATOM 0 HD21 ASN B 115 3.524 -2.802 14.159 1.00 0.00 H new ATOM 0 HD22 ASN B 115 3.211 -4.376 13.420 1.00 0.00 H new ATOM 1634 N GLU B 116 5.488 -5.682 8.748 1.00 0.00 N ATOM 1635 CA GLU B 116 6.155 -6.643 7.877 1.00 0.00 C ATOM 1636 C GLU B 116 6.853 -5.913 6.755 1.00 0.00 C ATOM 1637 O GLU B 116 8.054 -6.010 6.594 1.00 0.00 O ATOM 1638 CB GLU B 116 5.113 -7.591 7.276 1.00 0.00 C ATOM 1639 CG GLU B 116 5.633 -8.431 6.131 1.00 0.00 C ATOM 1640 CD GLU B 116 4.540 -9.104 5.347 1.00 0.00 C ATOM 1641 OE1 GLU B 116 4.013 -8.478 4.404 1.00 0.00 O ATOM 1642 OE2 GLU B 116 4.208 -10.274 5.623 1.00 0.00 O ATOM 0 H GLU B 116 4.501 -5.892 8.896 1.00 0.00 H new ATOM 0 HA GLU B 116 6.884 -7.208 8.458 1.00 0.00 H new ATOM 0 HB2 GLU B 116 4.744 -8.252 8.060 1.00 0.00 H new ATOM 0 HB3 GLU B 116 4.263 -7.005 6.926 1.00 0.00 H new ATOM 0 HG2 GLU B 116 6.216 -7.799 5.461 1.00 0.00 H new ATOM 0 HG3 GLU B 116 6.310 -9.190 6.523 1.00 0.00 H new ATOM 1649 N ARG B 117 6.077 -5.179 6.000 1.00 0.00 N ATOM 1650 CA ARG B 117 6.581 -4.393 4.885 1.00 0.00 C ATOM 1651 C ARG B 117 7.645 -3.409 5.321 1.00 0.00 C ATOM 1652 O ARG B 117 8.592 -3.169 4.592 1.00 0.00 O ATOM 1653 CB ARG B 117 5.502 -3.613 4.214 1.00 0.00 C ATOM 1654 CG ARG B 117 4.409 -4.400 3.553 1.00 0.00 C ATOM 1655 CD ARG B 117 3.505 -3.439 2.821 1.00 0.00 C ATOM 1656 NE ARG B 117 2.916 -2.454 3.727 1.00 0.00 N ATOM 1657 CZ ARG B 117 3.259 -1.155 3.839 1.00 0.00 C ATOM 1658 NH1 ARG B 117 4.285 -0.653 3.183 1.00 0.00 N ATOM 1659 NH2 ARG B 117 2.564 -0.361 4.585 1.00 0.00 N ATOM 0 H ARG B 117 5.069 -5.104 6.136 1.00 0.00 H new ATOM 0 HA ARG B 117 7.003 -5.120 4.191 1.00 0.00 H new ATOM 0 HB2 ARG B 117 5.047 -2.956 4.955 1.00 0.00 H new ATOM 0 HB3 ARG B 117 5.963 -2.974 3.461 1.00 0.00 H new ATOM 0 HG2 ARG B 117 4.832 -5.126 2.859 1.00 0.00 H new ATOM 0 HG3 ARG B 117 3.843 -4.961 4.297 1.00 0.00 H new ATOM 0 HD2 ARG B 117 4.072 -2.926 2.044 1.00 0.00 H new ATOM 0 HD3 ARG B 117 2.711 -3.995 2.322 1.00 0.00 H new ATOM 0 HE ARG B 117 2.168 -2.784 4.337 1.00 0.00 H new ATOM 0 HH11 ARG B 117 4.842 -1.251 2.572 1.00 0.00 H new ATOM 0 HH12 ARG B 117 4.523 0.334 3.286 1.00 0.00 H new ATOM 0 HH21 ARG B 117 1.753 -0.717 5.091 1.00 0.00 H new ATOM 0 HH22 ARG B 117 2.826 0.621 4.667 1.00 0.00 H new ATOM 1673 N HIS B 118 7.459 -2.827 6.485 1.00 0.00 N ATOM 1674 CA HIS B 118 8.415 -1.894 7.056 1.00 0.00 C ATOM 1675 C HIS B 118 9.718 -2.603 7.398 1.00 0.00 C ATOM 1676 O HIS B 118 10.797 -2.043 7.244 1.00 0.00 O ATOM 1677 CB HIS B 118 7.806 -1.142 8.258 1.00 0.00 C ATOM 1678 CG HIS B 118 6.911 0.017 7.872 1.00 0.00 C ATOM 1679 ND1 HIS B 118 5.586 0.056 8.165 1.00 0.00 N ATOM 1680 CD2 HIS B 118 7.158 1.179 7.201 1.00 0.00 C ATOM 1681 CE1 HIS B 118 5.056 1.152 7.696 1.00 0.00 C ATOM 1682 NE2 HIS B 118 5.978 1.853 7.113 1.00 0.00 N ATOM 0 H HIS B 118 6.637 -2.986 7.068 1.00 0.00 H new ATOM 0 HA HIS B 118 8.655 -1.136 6.310 1.00 0.00 H new ATOM 0 HB2 HIS B 118 7.232 -1.846 8.860 1.00 0.00 H new ATOM 0 HB3 HIS B 118 8.614 -0.769 8.887 1.00 0.00 H new ATOM 0 HD2 HIS B 118 8.112 1.504 6.812 1.00 0.00 H new ATOM 0 HE1 HIS B 118 4.016 1.431 7.780 1.00 0.00 H new ATOM 0 HE2 HIS B 118 5.842 2.758 6.663 1.00 0.00 H new ATOM 1691 N GLU B 119 9.618 -3.839 7.831 1.00 0.00 N ATOM 1692 CA GLU B 119 10.789 -4.651 8.044 1.00 0.00 C ATOM 1693 C GLU B 119 11.400 -5.112 6.716 1.00 0.00 C ATOM 1694 O GLU B 119 12.617 -5.142 6.568 1.00 0.00 O ATOM 1695 CB GLU B 119 10.529 -5.823 8.978 1.00 0.00 C ATOM 1696 CG GLU B 119 10.716 -5.494 10.454 1.00 0.00 C ATOM 1697 CD GLU B 119 9.679 -4.587 11.062 1.00 0.00 C ATOM 1698 OE1 GLU B 119 9.791 -3.343 10.913 1.00 0.00 O ATOM 1699 OE2 GLU B 119 8.790 -5.102 11.801 1.00 0.00 O ATOM 0 H GLU B 119 8.734 -4.303 8.042 1.00 0.00 H new ATOM 0 HA GLU B 119 11.520 -4.016 8.544 1.00 0.00 H new ATOM 0 HB2 GLU B 119 9.511 -6.179 8.822 1.00 0.00 H new ATOM 0 HB3 GLU B 119 11.197 -6.642 8.711 1.00 0.00 H new ATOM 0 HG2 GLU B 119 10.728 -6.428 11.016 1.00 0.00 H new ATOM 0 HG3 GLU B 119 11.695 -5.032 10.582 1.00 0.00 H new ATOM 1706 N GLU B 120 10.546 -5.463 5.751 1.00 0.00 N ATOM 1707 CA GLU B 120 10.981 -5.810 4.382 1.00 0.00 C ATOM 1708 C GLU B 120 11.776 -4.659 3.797 1.00 0.00 C ATOM 1709 O GLU B 120 12.754 -4.861 3.109 1.00 0.00 O ATOM 1710 CB GLU B 120 9.776 -6.075 3.463 1.00 0.00 C ATOM 1711 CG GLU B 120 8.924 -7.281 3.821 1.00 0.00 C ATOM 1712 CD GLU B 120 9.680 -8.578 3.741 1.00 0.00 C ATOM 1713 OE1 GLU B 120 10.269 -9.004 4.745 1.00 0.00 O ATOM 1714 OE2 GLU B 120 9.675 -9.214 2.670 1.00 0.00 O ATOM 0 H GLU B 120 9.537 -5.517 5.889 1.00 0.00 H new ATOM 0 HA GLU B 120 11.589 -6.713 4.444 1.00 0.00 H new ATOM 0 HB2 GLU B 120 9.139 -5.190 3.466 1.00 0.00 H new ATOM 0 HB3 GLU B 120 10.141 -6.201 2.444 1.00 0.00 H new ATOM 0 HG2 GLU B 120 8.533 -7.156 4.831 1.00 0.00 H new ATOM 0 HG3 GLU B 120 8.066 -7.325 3.150 1.00 0.00 H new ATOM 1721 N ALA B 121 11.332 -3.456 4.092 1.00 0.00 N ATOM 1722 CA ALA B 121 11.991 -2.242 3.662 1.00 0.00 C ATOM 1723 C ALA B 121 13.402 -2.148 4.231 1.00 0.00 C ATOM 1724 O ALA B 121 14.333 -1.705 3.554 1.00 0.00 O ATOM 1725 CB ALA B 121 11.177 -1.036 4.058 1.00 0.00 C ATOM 0 H ALA B 121 10.491 -3.292 4.645 1.00 0.00 H new ATOM 0 HA ALA B 121 12.072 -2.268 2.575 1.00 0.00 H new ATOM 0 HB1 ALA B 121 11.685 -0.130 3.728 1.00 0.00 H new ATOM 0 HB2 ALA B 121 10.194 -1.091 3.591 1.00 0.00 H new ATOM 0 HB3 ALA B 121 11.063 -1.014 5.142 1.00 0.00 H new ATOM 1731 N GLU B 122 13.567 -2.564 5.467 1.00 0.00 N ATOM 1732 CA GLU B 122 14.867 -2.597 6.076 1.00 0.00 C ATOM 1733 C GLU B 122 15.703 -3.695 5.451 1.00 0.00 C ATOM 1734 O GLU B 122 16.879 -3.514 5.194 1.00 0.00 O ATOM 1735 CB GLU B 122 14.771 -2.778 7.575 1.00 0.00 C ATOM 1736 CG GLU B 122 14.131 -1.606 8.296 1.00 0.00 C ATOM 1737 CD GLU B 122 14.778 -0.281 7.942 1.00 0.00 C ATOM 1738 OE1 GLU B 122 15.977 -0.090 8.229 1.00 0.00 O ATOM 1739 OE2 GLU B 122 14.092 0.583 7.339 1.00 0.00 O ATOM 0 H GLU B 122 12.809 -2.885 6.069 1.00 0.00 H new ATOM 0 HA GLU B 122 15.354 -1.638 5.896 1.00 0.00 H new ATOM 0 HB2 GLU B 122 14.196 -3.680 7.786 1.00 0.00 H new ATOM 0 HB3 GLU B 122 15.772 -2.937 7.977 1.00 0.00 H new ATOM 0 HG2 GLU B 122 13.070 -1.566 8.047 1.00 0.00 H new ATOM 0 HG3 GLU B 122 14.200 -1.764 9.372 1.00 0.00 H new ATOM 1746 N LEU B 123 15.073 -4.820 5.188 1.00 0.00 N ATOM 1747 CA LEU B 123 15.714 -5.931 4.488 1.00 0.00 C ATOM 1748 C LEU B 123 16.175 -5.510 3.086 1.00 0.00 C ATOM 1749 O LEU B 123 17.273 -5.851 2.661 1.00 0.00 O ATOM 1750 CB LEU B 123 14.786 -7.162 4.424 1.00 0.00 C ATOM 1751 CG LEU B 123 14.914 -8.199 5.562 1.00 0.00 C ATOM 1752 CD1 LEU B 123 14.611 -7.602 6.923 1.00 0.00 C ATOM 1753 CD2 LEU B 123 14.020 -9.397 5.292 1.00 0.00 C ATOM 0 H LEU B 123 14.103 -4.998 5.450 1.00 0.00 H new ATOM 0 HA LEU B 123 16.599 -6.214 5.058 1.00 0.00 H new ATOM 0 HB2 LEU B 123 13.755 -6.808 4.403 1.00 0.00 H new ATOM 0 HB3 LEU B 123 14.967 -7.673 3.478 1.00 0.00 H new ATOM 0 HG LEU B 123 15.953 -8.528 5.582 1.00 0.00 H new ATOM 0 HD11 LEU B 123 14.715 -8.371 7.689 1.00 0.00 H new ATOM 0 HD12 LEU B 123 15.308 -6.790 7.127 1.00 0.00 H new ATOM 0 HD13 LEU B 123 13.592 -7.216 6.932 1.00 0.00 H new ATOM 0 HD21 LEU B 123 14.122 -10.118 6.103 1.00 0.00 H new ATOM 0 HD22 LEU B 123 12.982 -9.069 5.227 1.00 0.00 H new ATOM 0 HD23 LEU B 123 14.313 -9.865 4.352 1.00 0.00 H new ATOM 1765 N GLU B 124 15.345 -4.758 2.397 1.00 0.00 N ATOM 1766 CA GLU B 124 15.650 -4.228 1.070 1.00 0.00 C ATOM 1767 C GLU B 124 16.836 -3.255 1.158 1.00 0.00 C ATOM 1768 O GLU B 124 17.746 -3.277 0.327 1.00 0.00 O ATOM 1769 CB GLU B 124 14.422 -3.510 0.522 1.00 0.00 C ATOM 1770 CG GLU B 124 14.566 -2.995 -0.892 1.00 0.00 C ATOM 1771 CD GLU B 124 13.353 -2.236 -1.325 1.00 0.00 C ATOM 1772 OE1 GLU B 124 12.378 -2.845 -1.746 1.00 0.00 O ATOM 1773 OE2 GLU B 124 13.345 -0.995 -1.212 1.00 0.00 O ATOM 0 H GLU B 124 14.423 -4.489 2.741 1.00 0.00 H new ATOM 0 HA GLU B 124 15.918 -5.046 0.401 1.00 0.00 H new ATOM 0 HB2 GLU B 124 13.573 -4.192 0.560 1.00 0.00 H new ATOM 0 HB3 GLU B 124 14.187 -2.671 1.177 1.00 0.00 H new ATOM 0 HG2 GLU B 124 15.443 -2.350 -0.958 1.00 0.00 H new ATOM 0 HG3 GLU B 124 14.734 -3.832 -1.570 1.00 0.00 H new ATOM 1780 N ARG B 125 16.803 -2.418 2.177 1.00 0.00 N ATOM 1781 CA ARG B 125 17.876 -1.471 2.493 1.00 0.00 C ATOM 1782 C ARG B 125 19.185 -2.234 2.765 1.00 0.00 C ATOM 1783 O ARG B 125 20.252 -1.886 2.261 1.00 0.00 O ATOM 1784 CB ARG B 125 17.451 -0.680 3.740 1.00 0.00 C ATOM 1785 CG ARG B 125 18.470 0.285 4.307 1.00 0.00 C ATOM 1786 CD ARG B 125 17.944 0.894 5.599 1.00 0.00 C ATOM 1787 NE ARG B 125 18.914 1.782 6.230 1.00 0.00 N ATOM 1788 CZ ARG B 125 18.881 2.179 7.506 1.00 0.00 C ATOM 1789 NH1 ARG B 125 17.937 1.738 8.341 1.00 0.00 N ATOM 1790 NH2 ARG B 125 19.809 3.007 7.946 1.00 0.00 N ATOM 0 H ARG B 125 16.018 -2.370 2.826 1.00 0.00 H new ATOM 0 HA ARG B 125 18.047 -0.793 1.657 1.00 0.00 H new ATOM 0 HB2 ARG B 125 16.548 -0.119 3.497 1.00 0.00 H new ATOM 0 HB3 ARG B 125 17.184 -1.392 4.521 1.00 0.00 H new ATOM 0 HG2 ARG B 125 19.410 -0.234 4.496 1.00 0.00 H new ATOM 0 HG3 ARG B 125 18.680 1.072 3.583 1.00 0.00 H new ATOM 0 HD2 ARG B 125 17.029 1.449 5.390 1.00 0.00 H new ATOM 0 HD3 ARG B 125 17.681 0.096 6.293 1.00 0.00 H new ATOM 0 HE ARG B 125 19.679 2.128 5.651 1.00 0.00 H new ATOM 0 HH11 ARG B 125 17.225 1.087 8.008 1.00 0.00 H new ATOM 0 HH12 ARG B 125 17.928 2.052 9.311 1.00 0.00 H new ATOM 0 HH21 ARG B 125 20.540 3.336 7.315 1.00 0.00 H new ATOM 0 HH22 ARG B 125 19.796 3.318 8.917 1.00 0.00 H new ATOM 1804 N LEU B 126 19.058 -3.292 3.534 1.00 0.00 N ATOM 1805 CA LEU B 126 20.156 -4.156 3.945 1.00 0.00 C ATOM 1806 C LEU B 126 20.750 -4.930 2.757 1.00 0.00 C ATOM 1807 O LEU B 126 21.955 -5.220 2.739 1.00 0.00 O ATOM 1808 CB LEU B 126 19.628 -5.137 5.003 1.00 0.00 C ATOM 1809 CG LEU B 126 20.617 -6.133 5.597 1.00 0.00 C ATOM 1810 CD1 LEU B 126 21.720 -5.412 6.345 1.00 0.00 C ATOM 1811 CD2 LEU B 126 19.892 -7.107 6.511 1.00 0.00 C ATOM 0 H LEU B 126 18.157 -3.590 3.907 1.00 0.00 H new ATOM 0 HA LEU B 126 20.955 -3.539 4.357 1.00 0.00 H new ATOM 0 HB2 LEU B 126 19.206 -4.554 5.821 1.00 0.00 H new ATOM 0 HB3 LEU B 126 18.808 -5.702 4.558 1.00 0.00 H new ATOM 0 HG LEU B 126 21.076 -6.696 4.784 1.00 0.00 H new ATOM 0 HD11 LEU B 126 22.415 -6.142 6.761 1.00 0.00 H new ATOM 0 HD12 LEU B 126 22.253 -4.753 5.660 1.00 0.00 H new ATOM 0 HD13 LEU B 126 21.287 -4.822 7.153 1.00 0.00 H new ATOM 0 HD21 LEU B 126 20.608 -7.814 6.930 1.00 0.00 H new ATOM 0 HD22 LEU B 126 19.409 -6.557 7.319 1.00 0.00 H new ATOM 0 HD23 LEU B 126 19.138 -7.649 5.940 1.00 0.00 H new ATOM 1823 N LYS B 127 19.913 -5.193 1.753 1.00 0.00 N ATOM 1824 CA LYS B 127 20.272 -6.004 0.579 1.00 0.00 C ATOM 1825 C LYS B 127 21.496 -5.460 -0.140 1.00 0.00 C ATOM 1826 O LYS B 127 22.355 -6.234 -0.561 1.00 0.00 O ATOM 1827 CB LYS B 127 19.074 -6.088 -0.394 1.00 0.00 C ATOM 1828 CG LYS B 127 19.348 -6.801 -1.724 1.00 0.00 C ATOM 1829 CD LYS B 127 19.605 -8.293 -1.561 1.00 0.00 C ATOM 1830 CE LYS B 127 19.952 -8.929 -2.901 1.00 0.00 C ATOM 1831 NZ LYS B 127 20.027 -10.397 -2.823 1.00 0.00 N ATOM 0 H LYS B 127 18.954 -4.847 1.728 1.00 0.00 H new ATOM 0 HA LYS B 127 20.522 -7.003 0.935 1.00 0.00 H new ATOM 0 HB2 LYS B 127 18.255 -6.601 0.110 1.00 0.00 H new ATOM 0 HB3 LYS B 127 18.732 -5.076 -0.609 1.00 0.00 H new ATOM 0 HG2 LYS B 127 18.497 -6.656 -2.389 1.00 0.00 H new ATOM 0 HG3 LYS B 127 20.211 -6.340 -2.205 1.00 0.00 H new ATOM 0 HD2 LYS B 127 20.421 -8.452 -0.855 1.00 0.00 H new ATOM 0 HD3 LYS B 127 18.722 -8.775 -1.142 1.00 0.00 H new ATOM 0 HE2 LYS B 127 19.203 -8.645 -3.640 1.00 0.00 H new ATOM 0 HE3 LYS B 127 20.908 -8.537 -3.249 1.00 0.00 H new ATOM 0 HZ1 LYS B 127 20.266 -10.783 -3.759 1.00 0.00 H new ATOM 0 HZ2 LYS B 127 20.760 -10.671 -2.138 1.00 0.00 H new ATOM 0 HZ3 LYS B 127 19.108 -10.776 -2.517 1.00 0.00 H new ATOM 1845 N SER B 128 21.571 -4.131 -0.262 1.00 0.00 N ATOM 1846 CA SER B 128 22.678 -3.457 -0.914 1.00 0.00 C ATOM 1847 C SER B 128 22.810 -4.001 -2.357 1.00 0.00 C ATOM 1848 O SER B 128 21.796 -4.389 -2.991 1.00 0.00 O ATOM 1849 CB SER B 128 23.961 -3.702 -0.078 1.00 0.00 C ATOM 1850 OG SER B 128 23.742 -3.358 1.300 1.00 0.00 O ATOM 0 H SER B 128 20.856 -3.496 0.094 1.00 0.00 H new ATOM 0 HA SER B 128 22.513 -2.381 -0.976 1.00 0.00 H new ATOM 0 HB2 SER B 128 24.257 -4.748 -0.154 1.00 0.00 H new ATOM 0 HB3 SER B 128 24.782 -3.109 -0.480 1.00 0.00 H new ATOM 0 HG SER B 128 23.155 -4.024 1.714 1.00 0.00 H new ATOM 1856 N GLU B 129 23.983 -3.975 -2.902 1.00 0.00 N ATOM 1857 CA GLU B 129 24.187 -4.601 -4.183 1.00 0.00 C ATOM 1858 C GLU B 129 24.975 -5.901 -4.062 1.00 0.00 C ATOM 1859 O GLU B 129 26.203 -5.935 -4.175 1.00 0.00 O ATOM 1860 CB GLU B 129 24.732 -3.665 -5.299 1.00 0.00 C ATOM 1861 CG GLU B 129 26.095 -3.027 -5.059 1.00 0.00 C ATOM 1862 CD GLU B 129 26.081 -1.999 -3.979 1.00 0.00 C ATOM 1863 OE1 GLU B 129 25.731 -0.845 -4.263 1.00 0.00 O ATOM 1864 OE2 GLU B 129 26.392 -2.326 -2.811 1.00 0.00 O ATOM 0 H GLU B 129 24.808 -3.536 -2.494 1.00 0.00 H new ATOM 0 HA GLU B 129 23.185 -4.855 -4.530 1.00 0.00 H new ATOM 0 HB2 GLU B 129 24.783 -4.236 -6.226 1.00 0.00 H new ATOM 0 HB3 GLU B 129 24.007 -2.867 -5.456 1.00 0.00 H new ATOM 0 HG2 GLU B 129 26.813 -3.806 -4.801 1.00 0.00 H new ATOM 0 HG3 GLU B 129 26.442 -2.567 -5.985 1.00 0.00 H new ATOM 1871 N TYR B 130 24.278 -6.942 -3.721 1.00 0.00 N ATOM 1872 CA TYR B 130 24.829 -8.251 -3.696 1.00 0.00 C ATOM 1873 C TYR B 130 24.264 -9.006 -4.864 1.00 0.00 C ATOM 1874 O TYR B 130 24.970 -9.183 -5.861 1.00 0.00 O ATOM 1875 CB TYR B 130 24.513 -8.984 -2.396 1.00 0.00 C ATOM 1876 CG TYR B 130 25.292 -8.526 -1.178 1.00 0.00 C ATOM 1877 CD1 TYR B 130 26.681 -8.507 -1.186 1.00 0.00 C ATOM 1878 CD2 TYR B 130 24.643 -8.163 -0.007 1.00 0.00 C ATOM 1879 CE1 TYR B 130 27.394 -8.137 -0.064 1.00 0.00 C ATOM 1880 CE2 TYR B 130 25.351 -7.783 1.117 1.00 0.00 C ATOM 1881 CZ TYR B 130 26.726 -7.775 1.084 1.00 0.00 C ATOM 1882 OH TYR B 130 27.444 -7.428 2.223 1.00 0.00 O ATOM 1883 OXT TYR B 130 23.080 -9.348 -4.822 1.00 0.00 O ATOM 0 H TYR B 130 23.296 -6.899 -3.449 1.00 0.00 H new ATOM 0 HA TYR B 130 25.915 -8.182 -3.759 1.00 0.00 H new ATOM 0 HB2 TYR B 130 23.449 -8.873 -2.187 1.00 0.00 H new ATOM 0 HB3 TYR B 130 24.699 -10.048 -2.545 1.00 0.00 H new ATOM 0 HD1 TYR B 130 27.211 -8.786 -2.085 1.00 0.00 H new ATOM 0 HD2 TYR B 130 23.564 -8.178 0.027 1.00 0.00 H new ATOM 0 HE1 TYR B 130 28.474 -8.131 -0.086 1.00 0.00 H new ATOM 0 HE2 TYR B 130 24.828 -7.494 2.016 1.00 0.00 H new ATOM 0 HH TYR B 130 26.822 -7.198 2.944 1.00 0.00 H new TER 1893 TYR B 130