USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 731 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 GLN : amide:sc= -3.29 K(o=-3.3,f=-6.8!) USER MOD Set 1.2: A 86 SER OG : rot 180:sc= 0.0114 USER MOD Set 2.1: A 51 HIS : no HD1:sc= -4.66! C(o=-7.7!,f=-8.3!) USER MOD Set 2.2: A 54 HIS : no HD1:sc= -3.03 K(o=-7.7,f=-9) USER MOD Set 3.1: A 10 THR OG1 : rot -100:sc= -1.27 USER MOD Set 3.2: A 81 MET CE :methyl 148:sc= -6.53! (180deg=-6.25!) USER MOD Set 4.1: A 6 SER OG : rot 150:sc= -1.24 USER MOD Set 4.2: A 57 MET CE :methyl -111:sc= -4.87 (180deg=-7.34!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 178:sc= -1.29 (180deg=-1.31) USER MOD Single : A 4 SER OG : rot 122:sc= 0.437 USER MOD Single : A 5 THR OG1 : rot 10:sc= 0.147 USER MOD Single : A 7 HIS :FLIP no HD1:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 12 SER OG : rot -64:sc= 1.06 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -3.35! C(o=-3.3!,f=-5.5!) USER MOD Single : A 21 CYS SG : rot -56:sc= -5.37! USER MOD Single : A 22 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0254) USER MOD Single : A 23 HIS : no HD1:sc= -0.441 K(o=-0.44,f=-1.3) USER MOD Single : A 26 HIS : no HD1:sc= -0.272 X(o=-0.27,f=-0.59) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -91:sc= -0.525 USER MOD Single : A 45 ASN : amide:sc= -5.8! C(o=-5.8!,f=-6.9!) USER MOD Single : A 46 CYS SG : rot 159:sc= -3.81 USER MOD Single : A 60 ASN : amide:sc= -4.08 K(o=-4.1,f=-8.5!) USER MOD Single : A 61 SER OG : rot -72:sc= -5.59! USER MOD Single : A 66 SER OG : rot -10:sc= -1.89 USER MOD Single : A 69 HIS : no HE2:sc= 0.186 K(o=0.19,f=-1.5) USER MOD Single : A 70 MET CE :methyl -172:sc= -1.99 (180deg=-2.38!) USER MOD Single : A 71 GLN : amide:sc= -1.24! C(o=-1.2!,f=-1.3!) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 77 HIS : no HD1:sc= -0.222 K(o=-0.22,f=-2.1) USER MOD Single : A 83 ASN : amide:sc= -1.03 K(o=-1,f=-3.3!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.353 15.522 -5.634 1.00 0.00 N ATOM 2 CA MET A 1 6.851 14.554 -4.619 1.00 0.00 C ATOM 3 C MET A 1 5.413 14.862 -4.217 1.00 0.00 C ATOM 4 O MET A 1 5.145 15.638 -3.300 1.00 0.00 O ATOM 5 CB MET A 1 7.789 14.566 -3.408 1.00 0.00 C ATOM 6 CG MET A 1 7.750 15.852 -2.595 1.00 0.00 C ATOM 7 SD MET A 1 7.660 15.550 -0.819 1.00 0.00 S ATOM 8 CE MET A 1 7.600 17.227 -0.194 1.00 0.00 C ATOM 0 H1 MET A 1 8.345 15.305 -5.860 1.00 0.00 H new ATOM 0 H2 MET A 1 6.777 15.450 -6.497 1.00 0.00 H new ATOM 0 H3 MET A 1 7.288 16.488 -5.254 1.00 0.00 H new ATOM 0 HA MET A 1 6.844 13.554 -5.053 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.532 13.731 -2.757 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.810 14.399 -3.753 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.639 16.443 -2.814 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.889 16.446 -2.903 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.542 17.208 0.894 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.499 17.762 -0.500 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.722 17.734 -0.595 1.00 0.00 H new ATOM 17 N PHE A 2 4.493 14.222 -4.920 1.00 0.00 N ATOM 18 CA PHE A 2 3.064 14.383 -4.664 1.00 0.00 C ATOM 19 C PHE A 2 2.594 13.258 -3.751 1.00 0.00 C ATOM 20 O PHE A 2 3.348 12.318 -3.499 1.00 0.00 O ATOM 21 CB PHE A 2 2.267 14.378 -5.978 1.00 0.00 C ATOM 22 CG PHE A 2 3.076 14.737 -7.194 1.00 0.00 C ATOM 23 CD1 PHE A 2 3.581 16.018 -7.351 1.00 0.00 C ATOM 24 CD2 PHE A 2 3.318 13.798 -8.184 1.00 0.00 C ATOM 25 CE1 PHE A 2 4.313 16.356 -8.473 1.00 0.00 C ATOM 26 CE2 PHE A 2 4.049 14.131 -9.306 1.00 0.00 C ATOM 27 CZ PHE A 2 4.546 15.411 -9.453 1.00 0.00 C ATOM 0 H PHE A 2 4.710 13.579 -5.681 1.00 0.00 H new ATOM 0 HA PHE A 2 2.894 15.344 -4.178 1.00 0.00 H new ATOM 0 HB2 PHE A 2 1.834 13.388 -6.123 1.00 0.00 H new ATOM 0 HB3 PHE A 2 1.437 15.079 -5.888 1.00 0.00 H new ATOM 0 HD1 PHE A 2 3.400 16.760 -6.588 1.00 0.00 H new ATOM 0 HD2 PHE A 2 2.931 12.796 -8.076 1.00 0.00 H new ATOM 0 HE1 PHE A 2 4.702 17.357 -8.584 1.00 0.00 H new ATOM 0 HE2 PHE A 2 4.233 13.390 -10.070 1.00 0.00 H new ATOM 0 HZ PHE A 2 5.116 15.673 -10.332 1.00 0.00 H new ATOM 37 N ARG A 3 1.362 13.332 -3.247 1.00 0.00 N ATOM 38 CA ARG A 3 0.882 12.272 -2.366 1.00 0.00 C ATOM 39 C ARG A 3 -0.630 12.049 -2.479 1.00 0.00 C ATOM 40 O ARG A 3 -1.426 12.968 -2.291 1.00 0.00 O ATOM 41 CB ARG A 3 1.271 12.548 -0.904 1.00 0.00 C ATOM 42 CG ARG A 3 2.091 11.425 -0.290 1.00 0.00 C ATOM 43 CD ARG A 3 3.561 11.797 -0.163 1.00 0.00 C ATOM 44 NE ARG A 3 4.045 11.647 1.207 1.00 0.00 N ATOM 45 CZ ARG A 3 5.158 12.213 1.667 1.00 0.00 C ATOM 46 NH1 ARG A 3 5.905 12.966 0.870 1.00 0.00 N ATOM 47 NH2 ARG A 3 5.525 12.025 2.927 1.00 0.00 N ATOM 0 H ARG A 3 0.700 14.087 -3.426 1.00 0.00 H new ATOM 0 HA ARG A 3 1.370 11.355 -2.696 1.00 0.00 H new ATOM 0 HB2 ARG A 3 1.840 13.476 -0.853 1.00 0.00 H new ATOM 0 HB3 ARG A 3 0.367 12.696 -0.314 1.00 0.00 H new ATOM 0 HG2 ARG A 3 1.692 11.181 0.695 1.00 0.00 H new ATOM 0 HG3 ARG A 3 1.995 10.529 -0.903 1.00 0.00 H new ATOM 0 HD2 ARG A 3 4.153 11.168 -0.828 1.00 0.00 H new ATOM 0 HD3 ARG A 3 3.704 12.828 -0.488 1.00 0.00 H new ATOM 0 HE ARG A 3 3.497 11.074 1.849 1.00 0.00 H new ATOM 0 HH11 ARG A 3 5.627 13.113 -0.100 1.00 0.00 H new ATOM 0 HH12 ARG A 3 6.757 13.398 1.228 1.00 0.00 H new ATOM 0 HH21 ARG A 3 4.954 11.447 3.544 1.00 0.00 H new ATOM 0 HH22 ARG A 3 6.378 12.459 3.280 1.00 0.00 H new ATOM 61 N SER A 4 -0.999 10.798 -2.757 1.00 0.00 N ATOM 62 CA SER A 4 -2.392 10.380 -2.877 1.00 0.00 C ATOM 63 C SER A 4 -2.696 9.367 -1.782 1.00 0.00 C ATOM 64 O SER A 4 -1.775 8.801 -1.192 1.00 0.00 O ATOM 65 CB SER A 4 -2.647 9.751 -4.256 1.00 0.00 C ATOM 66 OG SER A 4 -3.610 8.712 -4.177 1.00 0.00 O ATOM 0 H SER A 4 -0.332 10.041 -2.906 1.00 0.00 H new ATOM 0 HA SER A 4 -3.041 11.249 -2.771 1.00 0.00 H new ATOM 0 HB2 SER A 4 -2.992 10.518 -4.950 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.714 9.355 -4.656 1.00 0.00 H new ATOM 0 HG SER A 4 -4.365 8.920 -4.767 1.00 0.00 H new ATOM 72 N THR A 5 -3.971 9.128 -1.503 1.00 0.00 N ATOM 73 CA THR A 5 -4.322 8.168 -0.465 1.00 0.00 C ATOM 74 C THR A 5 -5.604 7.407 -0.785 1.00 0.00 C ATOM 75 O THR A 5 -6.634 8.002 -1.104 1.00 0.00 O ATOM 76 CB THR A 5 -4.457 8.863 0.898 1.00 0.00 C ATOM 77 OG1 THR A 5 -5.627 9.661 0.934 1.00 0.00 O ATOM 78 CG2 THR A 5 -3.286 9.758 1.268 1.00 0.00 C ATOM 0 H THR A 5 -4.762 9.573 -1.968 1.00 0.00 H new ATOM 0 HA THR A 5 -3.509 7.444 -0.424 1.00 0.00 H new ATOM 0 HB THR A 5 -4.495 8.047 1.619 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.175 9.475 0.143 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.466 10.207 2.245 1.00 0.00 H new ATOM 0 HG22 THR A 5 -2.372 9.165 1.304 1.00 0.00 H new ATOM 0 HG23 THR A 5 -3.179 10.544 0.521 1.00 0.00 H new ATOM 86 N SER A 6 -5.532 6.080 -0.675 1.00 0.00 N ATOM 87 CA SER A 6 -6.688 5.222 -0.928 1.00 0.00 C ATOM 88 C SER A 6 -7.174 4.575 0.372 1.00 0.00 C ATOM 89 O SER A 6 -6.386 3.990 1.115 1.00 0.00 O ATOM 90 CB SER A 6 -6.337 4.139 -1.950 1.00 0.00 C ATOM 91 OG SER A 6 -7.497 3.450 -2.382 1.00 0.00 O ATOM 0 H SER A 6 -4.685 5.577 -0.412 1.00 0.00 H new ATOM 0 HA SER A 6 -7.489 5.841 -1.331 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.839 4.592 -2.807 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.634 3.433 -1.509 1.00 0.00 H new ATOM 0 HG SER A 6 -7.370 3.141 -3.303 1.00 0.00 H new ATOM 97 N HIS A 7 -8.475 4.686 0.641 1.00 0.00 N ATOM 98 CA HIS A 7 -9.061 4.111 1.858 1.00 0.00 C ATOM 99 C HIS A 7 -10.040 2.983 1.522 1.00 0.00 C ATOM 100 O HIS A 7 -10.915 3.143 0.671 1.00 0.00 O ATOM 101 CB HIS A 7 -9.776 5.199 2.667 1.00 0.00 C ATOM 102 CG HIS A 7 -9.920 4.877 4.123 1.00 0.00 C ATOM 103 ND1 HIS A 7 -10.087 3.694 4.762 1.00 0.00 N flip ATOM 104 CD2 HIS A 7 -9.903 5.842 5.110 1.00 0.00 C flip ATOM 105 CE1 HIS A 7 -10.166 3.965 6.106 1.00 0.00 C flip ATOM 106 NE2 HIS A 7 -10.051 5.267 6.289 1.00 0.00 N flip ATOM 0 H HIS A 7 -9.143 5.166 0.037 1.00 0.00 H new ATOM 0 HA HIS A 7 -8.251 3.693 2.455 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -9.226 6.135 2.565 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -10.766 5.363 2.242 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -9.787 6.903 4.943 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -10.300 3.231 6.887 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -10.073 5.747 7.189 1.00 0.00 H new ATOM 115 N VAL A 8 -9.885 1.840 2.194 1.00 0.00 N ATOM 116 CA VAL A 8 -10.753 0.685 1.962 1.00 0.00 C ATOM 117 C VAL A 8 -11.098 -0.011 3.275 1.00 0.00 C ATOM 118 O VAL A 8 -10.326 0.048 4.232 1.00 0.00 O ATOM 119 CB VAL A 8 -10.091 -0.342 1.019 1.00 0.00 C ATOM 120 CG1 VAL A 8 -11.138 -1.236 0.370 1.00 0.00 C ATOM 121 CG2 VAL A 8 -9.247 0.354 -0.040 1.00 0.00 C ATOM 0 H VAL A 8 -9.167 1.690 2.903 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.662 1.065 1.496 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.431 -0.970 1.618 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.647 -1.951 -0.290 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.687 -1.773 1.143 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.830 -0.625 -0.209 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.792 -0.392 -0.691 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.879 1.015 -0.633 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.465 0.938 0.444 1.00 0.00 H new ATOM 131 N ARG A 9 -12.244 -0.693 3.320 1.00 0.00 N ATOM 132 CA ARG A 9 -12.630 -1.410 4.537 1.00 0.00 C ATOM 133 C ARG A 9 -12.296 -2.897 4.403 1.00 0.00 C ATOM 134 O ARG A 9 -12.971 -3.634 3.685 1.00 0.00 O ATOM 135 CB ARG A 9 -14.124 -1.231 4.842 1.00 0.00 C ATOM 136 CG ARG A 9 -14.411 -0.075 5.787 1.00 0.00 C ATOM 137 CD ARG A 9 -14.129 1.267 5.132 1.00 0.00 C ATOM 138 NE ARG A 9 -14.914 2.343 5.730 1.00 0.00 N ATOM 139 CZ ARG A 9 -15.138 3.515 5.140 1.00 0.00 C ATOM 140 NH1 ARG A 9 -14.636 3.767 3.937 1.00 0.00 N ATOM 141 NH2 ARG A 9 -15.863 4.439 5.754 1.00 0.00 N ATOM 0 H ARG A 9 -12.907 -0.764 2.548 1.00 0.00 H new ATOM 0 HA ARG A 9 -12.064 -0.988 5.367 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.662 -1.069 3.908 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -14.512 -2.152 5.278 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.453 -0.114 6.104 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.801 -0.178 6.684 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.068 1.499 5.223 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -14.352 1.205 4.067 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.315 2.187 6.655 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -14.075 3.061 3.460 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.811 4.667 3.490 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.250 4.252 6.679 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -16.034 5.337 5.301 1.00 0.00 H new ATOM 155 N THR A 10 -11.244 -3.326 5.101 1.00 0.00 N ATOM 156 CA THR A 10 -10.802 -4.722 5.067 1.00 0.00 C ATOM 157 C THR A 10 -10.602 -5.280 6.480 1.00 0.00 C ATOM 158 O THR A 10 -10.365 -4.525 7.415 1.00 0.00 O ATOM 159 CB THR A 10 -9.513 -4.844 4.254 1.00 0.00 C ATOM 160 OG1 THR A 10 -9.633 -5.860 3.275 1.00 0.00 O ATOM 161 CG2 THR A 10 -8.303 -5.160 5.095 1.00 0.00 C ATOM 0 H THR A 10 -10.679 -2.724 5.700 1.00 0.00 H new ATOM 0 HA THR A 10 -11.582 -5.313 4.587 1.00 0.00 H new ATOM 0 HB THR A 10 -9.369 -3.866 3.794 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.192 -6.675 3.594 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.424 -5.232 4.455 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.153 -4.368 5.829 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.456 -6.108 5.610 1.00 0.00 H new ATOM 169 N GLU A 11 -10.671 -6.601 6.628 1.00 0.00 N ATOM 170 CA GLU A 11 -10.469 -7.227 7.936 1.00 0.00 C ATOM 171 C GLU A 11 -9.099 -7.915 8.028 1.00 0.00 C ATOM 172 O GLU A 11 -8.581 -8.415 7.028 1.00 0.00 O ATOM 173 CB GLU A 11 -11.585 -8.231 8.217 1.00 0.00 C ATOM 174 CG GLU A 11 -12.330 -7.944 9.505 1.00 0.00 C ATOM 175 CD GLU A 11 -12.126 -9.018 10.555 1.00 0.00 C ATOM 176 OE1 GLU A 11 -11.045 -9.039 11.180 1.00 0.00 O ATOM 177 OE2 GLU A 11 -13.046 -9.839 10.751 1.00 0.00 O ATOM 0 H GLU A 11 -10.863 -7.254 5.868 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.496 -6.440 8.690 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.291 -8.223 7.386 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.160 -9.234 8.265 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.000 -6.985 9.904 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.394 -7.850 9.290 1.00 0.00 H new ATOM 184 N SER A 12 -8.517 -7.936 9.234 1.00 0.00 N ATOM 185 CA SER A 12 -7.212 -8.559 9.456 1.00 0.00 C ATOM 186 C SER A 12 -6.147 -7.943 8.555 1.00 0.00 C ATOM 187 O SER A 12 -5.150 -8.581 8.214 1.00 0.00 O ATOM 188 CB SER A 12 -7.302 -10.066 9.231 1.00 0.00 C ATOM 189 OG SER A 12 -6.014 -10.656 9.176 1.00 0.00 O ATOM 0 H SER A 12 -8.933 -7.527 10.071 1.00 0.00 H new ATOM 0 HA SER A 12 -6.919 -8.376 10.490 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.879 -10.522 10.035 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.836 -10.266 8.302 1.00 0.00 H new ATOM 0 HG SER A 12 -5.530 -10.314 8.395 1.00 0.00 H new ATOM 195 N ALA A 13 -6.375 -6.695 8.178 1.00 0.00 N ATOM 196 CA ALA A 13 -5.449 -5.955 7.312 1.00 0.00 C ATOM 197 C ALA A 13 -4.005 -5.990 7.809 1.00 0.00 C ATOM 198 O ALA A 13 -3.087 -6.324 7.061 1.00 0.00 O ATOM 199 CB ALA A 13 -5.891 -4.511 7.197 1.00 0.00 C ATOM 0 H ALA A 13 -7.199 -6.163 8.457 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.475 -6.449 6.341 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.199 -3.969 6.553 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.893 -4.470 6.769 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.900 -4.053 8.186 1.00 0.00 H new ATOM 205 N ALA A 14 -3.809 -5.588 9.058 1.00 0.00 N ATOM 206 CA ALA A 14 -2.468 -5.508 9.655 1.00 0.00 C ATOM 207 C ALA A 14 -1.563 -6.696 9.308 1.00 0.00 C ATOM 208 O ALA A 14 -0.339 -6.561 9.317 1.00 0.00 O ATOM 209 CB ALA A 14 -2.590 -5.345 11.158 1.00 0.00 C ATOM 0 H ALA A 14 -4.562 -5.309 9.687 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.981 -4.635 9.221 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.595 -5.286 11.600 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.141 -4.431 11.381 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.122 -6.200 11.575 1.00 0.00 H new ATOM 215 N ARG A 15 -2.145 -7.850 9.006 1.00 0.00 N ATOM 216 CA ARG A 15 -1.348 -9.029 8.666 1.00 0.00 C ATOM 217 C ARG A 15 -0.892 -8.993 7.220 1.00 0.00 C ATOM 218 O ARG A 15 0.246 -9.348 6.911 1.00 0.00 O ATOM 219 CB ARG A 15 -2.148 -10.308 8.920 1.00 0.00 C ATOM 220 CG ARG A 15 -1.303 -11.544 9.206 1.00 0.00 C ATOM 221 CD ARG A 15 0.078 -11.502 8.552 1.00 0.00 C ATOM 222 NE ARG A 15 0.962 -12.529 9.099 1.00 0.00 N ATOM 223 CZ ARG A 15 1.751 -12.347 10.156 1.00 0.00 C ATOM 224 NH1 ARG A 15 1.766 -11.183 10.795 1.00 0.00 N ATOM 225 NH2 ARG A 15 2.526 -13.337 10.580 1.00 0.00 N ATOM 0 H ARG A 15 -3.154 -7.998 8.989 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.465 -9.021 9.305 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.817 -10.140 9.764 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.775 -10.507 8.051 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.183 -11.651 10.284 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.836 -12.428 8.855 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.024 -11.644 7.476 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.524 -10.519 8.703 1.00 0.00 H new ATOM 0 HE ARG A 15 0.975 -13.441 8.643 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.170 -10.419 10.477 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.374 -11.053 11.604 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.517 -14.235 10.096 1.00 0.00 H new ATOM 0 HH22 ARG A 15 3.131 -13.200 11.389 1.00 0.00 H new ATOM 239 N TYR A 16 -1.769 -8.558 6.331 1.00 0.00 N ATOM 240 CA TYR A 16 -1.412 -8.485 4.923 1.00 0.00 C ATOM 241 C TYR A 16 -0.305 -7.458 4.727 1.00 0.00 C ATOM 242 O TYR A 16 0.500 -7.589 3.813 1.00 0.00 O ATOM 243 CB TYR A 16 -2.631 -8.166 4.044 1.00 0.00 C ATOM 244 CG TYR A 16 -3.797 -9.148 4.162 1.00 0.00 C ATOM 245 CD1 TYR A 16 -3.632 -10.466 4.609 1.00 0.00 C ATOM 246 CD2 TYR A 16 -5.084 -8.740 3.826 1.00 0.00 C ATOM 247 CE1 TYR A 16 -4.710 -11.325 4.711 1.00 0.00 C ATOM 248 CE2 TYR A 16 -6.163 -9.597 3.932 1.00 0.00 C ATOM 249 CZ TYR A 16 -5.970 -10.886 4.374 1.00 0.00 C ATOM 250 OH TYR A 16 -7.044 -11.742 4.479 1.00 0.00 O ATOM 0 H TYR A 16 -2.717 -8.255 6.552 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.046 -9.462 4.609 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -2.990 -7.169 4.298 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.309 -8.133 3.003 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.646 -10.816 4.878 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.243 -7.731 3.475 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.564 -12.338 5.054 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.154 -9.257 3.669 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.861 -11.277 4.204 1.00 0.00 H new ATOM 260 N VAL A 17 -0.236 -6.463 5.615 1.00 0.00 N ATOM 261 CA VAL A 17 0.821 -5.453 5.540 1.00 0.00 C ATOM 262 C VAL A 17 2.135 -6.059 6.014 1.00 0.00 C ATOM 263 O VAL A 17 3.173 -5.897 5.374 1.00 0.00 O ATOM 264 CB VAL A 17 0.495 -4.177 6.367 1.00 0.00 C ATOM 265 CG1 VAL A 17 1.755 -3.426 6.796 1.00 0.00 C ATOM 266 CG2 VAL A 17 -0.379 -3.244 5.563 1.00 0.00 C ATOM 0 H VAL A 17 -0.892 -6.336 6.386 1.00 0.00 H new ATOM 0 HA VAL A 17 0.901 -5.142 4.499 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.027 -4.508 7.265 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.475 -2.543 7.370 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.375 -4.078 7.412 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.315 -3.121 5.912 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.600 -2.354 6.153 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.141 -2.954 4.650 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.310 -3.749 5.305 1.00 0.00 H new ATOM 276 N ASN A 18 2.083 -6.763 7.141 1.00 0.00 N ATOM 277 CA ASN A 18 3.269 -7.395 7.694 1.00 0.00 C ATOM 278 C ASN A 18 3.746 -8.546 6.812 1.00 0.00 C ATOM 279 O ASN A 18 4.933 -8.863 6.790 1.00 0.00 O ATOM 280 CB ASN A 18 2.991 -7.902 9.110 1.00 0.00 C ATOM 281 CG ASN A 18 2.369 -6.838 9.994 1.00 0.00 C ATOM 282 OD1 ASN A 18 2.328 -5.662 9.634 1.00 0.00 O ATOM 283 ND2 ASN A 18 1.881 -7.249 11.158 1.00 0.00 N ATOM 0 H ASN A 18 1.233 -6.908 7.686 1.00 0.00 H new ATOM 0 HA ASN A 18 4.059 -6.645 7.732 1.00 0.00 H new ATOM 0 HB2 ASN A 18 2.325 -8.764 9.060 1.00 0.00 H new ATOM 0 HB3 ASN A 18 3.923 -8.245 9.560 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.450 -6.579 11.795 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.937 -8.234 11.415 1.00 0.00 H new ATOM 290 N ARG A 19 2.820 -9.181 6.093 1.00 0.00 N ATOM 291 CA ARG A 19 3.172 -10.302 5.229 1.00 0.00 C ATOM 292 C ARG A 19 3.819 -9.842 3.923 1.00 0.00 C ATOM 293 O ARG A 19 4.469 -10.631 3.239 1.00 0.00 O ATOM 294 CB ARG A 19 1.928 -11.136 4.928 1.00 0.00 C ATOM 295 CG ARG A 19 2.197 -12.629 4.919 1.00 0.00 C ATOM 296 CD ARG A 19 1.430 -13.345 6.017 1.00 0.00 C ATOM 297 NE ARG A 19 -0.014 -13.277 5.812 1.00 0.00 N ATOM 298 CZ ARG A 19 -0.886 -14.093 6.400 1.00 0.00 C ATOM 299 NH1 ARG A 19 -0.464 -15.039 7.230 1.00 0.00 N ATOM 300 NH2 ARG A 19 -2.184 -13.962 6.160 1.00 0.00 N ATOM 0 H ARG A 19 1.829 -8.939 6.093 1.00 0.00 H new ATOM 0 HA ARG A 19 3.905 -10.909 5.761 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.162 -10.916 5.672 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.526 -10.840 3.959 1.00 0.00 H new ATOM 0 HG2 ARG A 19 1.917 -13.043 3.950 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.265 -12.807 5.046 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.742 -14.389 6.055 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.680 -12.902 6.981 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.376 -12.562 5.181 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.533 -15.143 7.420 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.136 -15.662 7.678 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.514 -13.236 5.525 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.852 -14.588 6.611 1.00 0.00 H new ATOM 314 N LEU A 20 3.631 -8.575 3.572 1.00 0.00 N ATOM 315 CA LEU A 20 4.192 -8.037 2.334 1.00 0.00 C ATOM 316 C LEU A 20 5.708 -7.904 2.406 1.00 0.00 C ATOM 317 O LEU A 20 6.416 -8.305 1.483 1.00 0.00 O ATOM 318 CB LEU A 20 3.578 -6.677 2.013 1.00 0.00 C ATOM 319 CG LEU A 20 2.065 -6.674 1.781 1.00 0.00 C ATOM 320 CD1 LEU A 20 1.645 -5.365 1.132 1.00 0.00 C ATOM 321 CD2 LEU A 20 1.623 -7.858 0.918 1.00 0.00 C ATOM 0 H LEU A 20 3.097 -7.902 4.123 1.00 0.00 H new ATOM 0 HA LEU A 20 3.950 -8.745 1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.804 -5.994 2.832 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.065 -6.279 1.123 1.00 0.00 H new ATOM 0 HG LEU A 20 1.576 -6.773 2.750 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.567 -5.369 0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.910 -4.534 1.785 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.156 -5.253 0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.543 -7.821 0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.119 -7.807 -0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.892 -8.790 1.414 1.00 0.00 H new ATOM 333 N CYS A 21 6.205 -7.334 3.498 1.00 0.00 N ATOM 334 CA CYS A 21 7.644 -7.151 3.662 1.00 0.00 C ATOM 335 C CYS A 21 8.364 -8.483 3.534 1.00 0.00 C ATOM 336 O CYS A 21 9.447 -8.568 2.961 1.00 0.00 O ATOM 337 CB CYS A 21 7.959 -6.520 5.018 1.00 0.00 C ATOM 338 SG CYS A 21 7.477 -7.544 6.427 1.00 0.00 S ATOM 0 H CYS A 21 5.640 -6.993 4.276 1.00 0.00 H new ATOM 0 HA CYS A 21 7.992 -6.481 2.876 1.00 0.00 H new ATOM 0 HB2 CYS A 21 9.029 -6.319 5.075 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.450 -5.559 5.088 1.00 0.00 H new ATOM 0 HG CYS A 21 6.213 -7.833 6.341 1.00 0.00 H new ATOM 344 N LYS A 22 7.743 -9.523 4.066 1.00 0.00 N ATOM 345 CA LYS A 22 8.311 -10.860 4.003 1.00 0.00 C ATOM 346 C LYS A 22 8.029 -11.498 2.643 1.00 0.00 C ATOM 347 O LYS A 22 8.709 -12.440 2.235 1.00 0.00 O ATOM 348 CB LYS A 22 7.737 -11.730 5.122 1.00 0.00 C ATOM 349 CG LYS A 22 7.948 -11.153 6.516 1.00 0.00 C ATOM 350 CD LYS A 22 6.677 -11.229 7.345 1.00 0.00 C ATOM 351 CE LYS A 22 6.369 -12.657 7.757 1.00 0.00 C ATOM 352 NZ LYS A 22 7.261 -13.125 8.853 1.00 0.00 N ATOM 0 H LYS A 22 6.845 -9.467 4.547 1.00 0.00 H new ATOM 0 HA LYS A 22 9.391 -10.784 4.133 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.669 -11.866 4.953 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.196 -12.718 5.074 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.746 -11.698 7.020 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.271 -10.115 6.437 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.783 -10.607 8.234 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.842 -10.826 6.772 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.330 -12.725 8.081 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.478 -13.315 6.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.943 -14.058 9.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.236 -13.198 8.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.228 -12.447 9.641 1.00 0.00 H new ATOM 366 N HIS A 23 7.014 -10.981 1.950 1.00 0.00 N ATOM 367 CA HIS A 23 6.630 -11.500 0.642 1.00 0.00 C ATOM 368 C HIS A 23 7.451 -10.881 -0.486 1.00 0.00 C ATOM 369 O HIS A 23 8.143 -11.591 -1.216 1.00 0.00 O ATOM 370 CB HIS A 23 5.142 -11.257 0.387 1.00 0.00 C ATOM 371 CG HIS A 23 4.605 -12.017 -0.786 1.00 0.00 C ATOM 372 ND1 HIS A 23 5.048 -11.821 -2.077 1.00 0.00 N ATOM 373 CD2 HIS A 23 3.657 -12.982 -0.857 1.00 0.00 C ATOM 374 CE1 HIS A 23 4.394 -12.631 -2.891 1.00 0.00 C ATOM 375 NE2 HIS A 23 3.546 -13.345 -2.176 1.00 0.00 N ATOM 0 H HIS A 23 6.443 -10.201 2.276 1.00 0.00 H new ATOM 0 HA HIS A 23 6.830 -12.571 0.653 1.00 0.00 H new ATOM 0 HB2 HIS A 23 4.579 -11.534 1.278 1.00 0.00 H new ATOM 0 HB3 HIS A 23 4.978 -10.192 0.225 1.00 0.00 H new ATOM 0 HD2 HIS A 23 3.094 -13.389 -0.030 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.531 -12.697 -3.960 1.00 0.00 H new ATOM 0 HE2 HIS A 23 2.910 -14.053 -2.544 1.00 0.00 H new ATOM 384 N TRP A 24 7.356 -9.560 -0.645 1.00 0.00 N ATOM 385 CA TRP A 24 8.080 -8.880 -1.713 1.00 0.00 C ATOM 386 C TRP A 24 9.451 -8.383 -1.250 1.00 0.00 C ATOM 387 O TRP A 24 10.266 -7.962 -2.070 1.00 0.00 O ATOM 388 CB TRP A 24 7.249 -7.714 -2.245 1.00 0.00 C ATOM 389 CG TRP A 24 5.971 -8.146 -2.895 1.00 0.00 C ATOM 390 CD1 TRP A 24 4.703 -7.888 -2.461 1.00 0.00 C ATOM 391 CD2 TRP A 24 5.837 -8.916 -4.096 1.00 0.00 C ATOM 392 NE1 TRP A 24 3.788 -8.451 -3.319 1.00 0.00 N ATOM 393 CE2 TRP A 24 4.460 -9.087 -4.330 1.00 0.00 C ATOM 394 CE3 TRP A 24 6.748 -9.478 -4.995 1.00 0.00 C ATOM 395 CZ2 TRP A 24 3.973 -9.794 -5.425 1.00 0.00 C ATOM 396 CZ3 TRP A 24 6.263 -10.180 -6.082 1.00 0.00 C ATOM 397 CH2 TRP A 24 4.886 -10.333 -6.290 1.00 0.00 C ATOM 0 H TRP A 24 6.792 -8.949 -0.055 1.00 0.00 H new ATOM 0 HA TRP A 24 8.248 -9.603 -2.511 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.019 -7.036 -1.423 1.00 0.00 H new ATOM 0 HB3 TRP A 24 7.843 -7.152 -2.966 1.00 0.00 H new ATOM 0 HD1 TRP A 24 4.455 -7.324 -1.574 1.00 0.00 H new ATOM 0 HE1 TRP A 24 2.774 -8.403 -3.219 1.00 0.00 H new ATOM 0 HE3 TRP A 24 7.811 -9.366 -4.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 2.912 -9.913 -5.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 6.958 -10.618 -6.783 1.00 0.00 H new ATOM 0 HH2 TRP A 24 4.538 -10.887 -7.150 1.00 0.00 H new ATOM 408 N GLY A 25 9.712 -8.428 0.060 1.00 0.00 N ATOM 409 CA GLY A 25 10.994 -7.972 0.567 1.00 0.00 C ATOM 410 C GLY A 25 12.134 -8.906 0.209 1.00 0.00 C ATOM 411 O GLY A 25 12.803 -9.446 1.091 1.00 0.00 O ATOM 0 H GLY A 25 9.063 -8.769 0.769 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.205 -6.980 0.169 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.937 -7.875 1.651 1.00 0.00 H new ATOM 415 N HIS A 26 12.361 -9.094 -1.086 1.00 0.00 N ATOM 416 CA HIS A 26 13.432 -9.961 -1.558 1.00 0.00 C ATOM 417 C HIS A 26 14.538 -9.137 -2.208 1.00 0.00 C ATOM 418 O HIS A 26 15.706 -9.527 -2.199 1.00 0.00 O ATOM 419 CB HIS A 26 12.888 -10.986 -2.556 1.00 0.00 C ATOM 420 CG HIS A 26 12.449 -12.267 -1.917 1.00 0.00 C ATOM 421 ND1 HIS A 26 13.089 -12.824 -0.829 1.00 0.00 N ATOM 422 CD2 HIS A 26 11.426 -13.102 -2.217 1.00 0.00 C ATOM 423 CE1 HIS A 26 12.479 -13.946 -0.489 1.00 0.00 C ATOM 424 NE2 HIS A 26 11.467 -14.136 -1.315 1.00 0.00 N ATOM 0 H HIS A 26 11.816 -8.656 -1.829 1.00 0.00 H new ATOM 0 HA HIS A 26 13.847 -10.491 -0.701 1.00 0.00 H new ATOM 0 HB2 HIS A 26 12.045 -10.549 -3.091 1.00 0.00 H new ATOM 0 HB3 HIS A 26 13.657 -11.204 -3.297 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.711 -12.978 -3.017 1.00 0.00 H new ATOM 0 HE1 HIS A 26 12.761 -14.597 0.326 1.00 0.00 H new ATOM 0 HE2 HIS A 26 10.820 -14.924 -1.287 1.00 0.00 H new ATOM 433 N LYS A 27 14.160 -7.991 -2.765 1.00 0.00 N ATOM 434 CA LYS A 27 15.117 -7.101 -3.417 1.00 0.00 C ATOM 435 C LYS A 27 14.670 -5.649 -3.255 1.00 0.00 C ATOM 436 O LYS A 27 14.952 -4.796 -4.096 1.00 0.00 O ATOM 437 CB LYS A 27 15.240 -7.467 -4.904 1.00 0.00 C ATOM 438 CG LYS A 27 16.099 -6.512 -5.729 1.00 0.00 C ATOM 439 CD LYS A 27 15.250 -5.675 -6.674 1.00 0.00 C ATOM 440 CE LYS A 27 14.989 -6.400 -7.985 1.00 0.00 C ATOM 441 NZ LYS A 27 15.600 -5.691 -9.143 1.00 0.00 N ATOM 0 H LYS A 27 13.197 -7.656 -2.778 1.00 0.00 H new ATOM 0 HA LYS A 27 16.095 -7.217 -2.949 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.658 -8.470 -4.983 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.241 -7.503 -5.339 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.658 -5.856 -5.062 1.00 0.00 H new ATOM 0 HG3 LYS A 27 16.830 -7.082 -6.303 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.301 -5.435 -6.195 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.753 -4.729 -6.875 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.390 -7.412 -7.926 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.914 -6.492 -8.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.399 -6.217 -10.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.199 -4.734 -9.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.629 -5.626 -9.007 1.00 0.00 H new ATOM 455 N PHE A 28 13.961 -5.378 -2.164 1.00 0.00 N ATOM 456 CA PHE A 28 13.466 -4.042 -1.886 1.00 0.00 C ATOM 457 C PHE A 28 13.594 -3.710 -0.408 1.00 0.00 C ATOM 458 O PHE A 28 13.507 -4.592 0.447 1.00 0.00 O ATOM 459 CB PHE A 28 12.002 -3.923 -2.310 1.00 0.00 C ATOM 460 CG PHE A 28 11.816 -3.488 -3.733 1.00 0.00 C ATOM 461 CD1 PHE A 28 11.849 -4.414 -4.763 1.00 0.00 C ATOM 462 CD2 PHE A 28 11.600 -2.154 -4.040 1.00 0.00 C ATOM 463 CE1 PHE A 28 11.672 -4.017 -6.075 1.00 0.00 C ATOM 464 CE2 PHE A 28 11.420 -1.753 -5.347 1.00 0.00 C ATOM 465 CZ PHE A 28 11.457 -2.685 -6.367 1.00 0.00 C ATOM 0 H PHE A 28 13.717 -6.072 -1.457 1.00 0.00 H new ATOM 0 HA PHE A 28 14.069 -3.335 -2.456 1.00 0.00 H new ATOM 0 HB2 PHE A 28 11.513 -4.887 -2.168 1.00 0.00 H new ATOM 0 HB3 PHE A 28 11.500 -3.211 -1.654 1.00 0.00 H new ATOM 0 HD1 PHE A 28 12.015 -5.457 -4.538 1.00 0.00 H new ATOM 0 HD2 PHE A 28 11.572 -1.421 -3.247 1.00 0.00 H new ATOM 0 HE1 PHE A 28 11.702 -4.747 -6.870 1.00 0.00 H new ATOM 0 HE2 PHE A 28 11.250 -0.711 -5.574 1.00 0.00 H new ATOM 0 HZ PHE A 28 11.318 -2.372 -7.391 1.00 0.00 H new ATOM 475 N GLU A 29 13.780 -2.432 -0.109 1.00 0.00 N ATOM 476 CA GLU A 29 13.896 -1.988 1.273 1.00 0.00 C ATOM 477 C GLU A 29 12.517 -1.939 1.911 1.00 0.00 C ATOM 478 O GLU A 29 11.838 -0.913 1.861 1.00 0.00 O ATOM 479 CB GLU A 29 14.550 -0.606 1.346 1.00 0.00 C ATOM 480 CG GLU A 29 14.086 0.346 0.258 1.00 0.00 C ATOM 481 CD GLU A 29 15.039 0.396 -0.921 1.00 0.00 C ATOM 482 OE1 GLU A 29 15.753 -0.604 -1.149 1.00 0.00 O ATOM 483 OE2 GLU A 29 15.072 1.434 -1.615 1.00 0.00 O ATOM 0 H GLU A 29 13.854 -1.687 -0.802 1.00 0.00 H new ATOM 0 HA GLU A 29 14.524 -2.696 1.814 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.337 -0.164 2.319 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.632 -0.721 1.279 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.099 0.040 -0.090 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.980 1.347 0.677 1.00 0.00 H new ATOM 490 N VAL A 30 12.091 -3.056 2.493 1.00 0.00 N ATOM 491 CA VAL A 30 10.776 -3.119 3.109 1.00 0.00 C ATOM 492 C VAL A 30 10.846 -3.191 4.631 1.00 0.00 C ATOM 493 O VAL A 30 11.484 -4.082 5.194 1.00 0.00 O ATOM 494 CB VAL A 30 9.957 -4.323 2.592 1.00 0.00 C ATOM 495 CG1 VAL A 30 9.358 -4.028 1.226 1.00 0.00 C ATOM 496 CG2 VAL A 30 10.812 -5.579 2.537 1.00 0.00 C ATOM 0 H VAL A 30 12.632 -3.919 2.549 1.00 0.00 H new ATOM 0 HA VAL A 30 10.278 -2.192 2.825 1.00 0.00 H new ATOM 0 HB VAL A 30 9.141 -4.495 3.293 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.787 -4.891 0.885 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.700 -3.162 1.297 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.158 -3.819 0.516 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.212 -6.412 2.170 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.655 -5.416 1.866 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.182 -5.811 3.536 1.00 0.00 H new ATOM 506 N GLU A 31 10.161 -2.258 5.290 1.00 0.00 N ATOM 507 CA GLU A 31 10.115 -2.220 6.745 1.00 0.00 C ATOM 508 C GLU A 31 8.807 -2.832 7.237 1.00 0.00 C ATOM 509 O GLU A 31 7.826 -2.887 6.496 1.00 0.00 O ATOM 510 CB GLU A 31 10.252 -0.780 7.248 1.00 0.00 C ATOM 511 CG GLU A 31 11.445 -0.568 8.166 1.00 0.00 C ATOM 512 CD GLU A 31 11.995 0.842 8.090 1.00 0.00 C ATOM 513 OE1 GLU A 31 11.896 1.460 7.008 1.00 0.00 O ATOM 514 OE2 GLU A 31 12.526 1.328 9.110 1.00 0.00 O ATOM 0 H GLU A 31 9.629 -1.517 4.834 1.00 0.00 H new ATOM 0 HA GLU A 31 10.949 -2.801 7.139 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.340 -0.111 6.392 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.342 -0.501 7.778 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.152 -0.785 9.193 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.231 -1.276 7.903 1.00 0.00 H new ATOM 521 N LEU A 32 8.793 -3.298 8.480 1.00 0.00 N ATOM 522 CA LEU A 32 7.593 -3.912 9.041 1.00 0.00 C ATOM 523 C LEU A 32 7.319 -3.412 10.452 1.00 0.00 C ATOM 524 O LEU A 32 8.016 -3.772 11.401 1.00 0.00 O ATOM 525 CB LEU A 32 7.733 -5.440 9.043 1.00 0.00 C ATOM 526 CG LEU A 32 6.436 -6.252 9.223 1.00 0.00 C ATOM 527 CD1 LEU A 32 6.765 -7.696 9.578 1.00 0.00 C ATOM 528 CD2 LEU A 32 5.541 -5.638 10.296 1.00 0.00 C ATOM 0 H LEU A 32 9.591 -3.264 9.115 1.00 0.00 H new ATOM 0 HA LEU A 32 6.748 -3.628 8.414 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.195 -5.741 8.103 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.422 -5.718 9.840 1.00 0.00 H new ATOM 0 HG LEU A 32 5.893 -6.230 8.278 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.840 -8.260 9.703 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.357 -8.142 8.778 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.334 -7.722 10.508 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.634 -6.234 10.399 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.073 -5.620 11.247 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.275 -4.620 10.010 1.00 0.00 H new ATOM 540 N THR A 33 6.277 -2.603 10.582 1.00 0.00 N ATOM 541 CA THR A 33 5.872 -2.072 11.878 1.00 0.00 C ATOM 542 C THR A 33 4.399 -2.381 12.093 1.00 0.00 C ATOM 543 O THR A 33 3.690 -2.718 11.145 1.00 0.00 O ATOM 544 CB THR A 33 6.109 -0.562 11.936 1.00 0.00 C ATOM 545 OG1 THR A 33 5.987 0.016 10.648 1.00 0.00 O ATOM 546 CG2 THR A 33 7.472 -0.189 12.478 1.00 0.00 C ATOM 0 H THR A 33 5.694 -2.298 9.803 1.00 0.00 H new ATOM 0 HA THR A 33 6.466 -2.537 12.664 1.00 0.00 H new ATOM 0 HB THR A 33 5.348 -0.178 12.615 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.140 0.982 10.707 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.574 0.896 12.492 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.579 -0.576 13.491 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.246 -0.618 11.842 1.00 0.00 H new ATOM 554 N PRO A 34 3.904 -2.270 13.329 1.00 0.00 N ATOM 555 CA PRO A 34 2.502 -2.541 13.625 1.00 0.00 C ATOM 556 C PRO A 34 1.609 -1.384 13.217 1.00 0.00 C ATOM 557 O PRO A 34 0.789 -0.906 14.001 1.00 0.00 O ATOM 558 CB PRO A 34 2.496 -2.726 15.132 1.00 0.00 C ATOM 559 CG PRO A 34 3.628 -1.891 15.627 1.00 0.00 C ATOM 560 CD PRO A 34 4.659 -1.866 14.527 1.00 0.00 C ATOM 0 HA PRO A 34 2.117 -3.404 13.081 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.549 -2.404 15.566 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.631 -3.773 15.402 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.290 -0.882 15.864 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.047 -2.310 16.542 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.095 -0.874 14.410 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.480 -2.553 14.733 1.00 0.00 H new ATOM 568 N GLU A 35 1.788 -0.935 11.984 1.00 0.00 N ATOM 569 CA GLU A 35 1.018 0.176 11.451 1.00 0.00 C ATOM 570 C GLU A 35 0.971 0.145 9.922 1.00 0.00 C ATOM 571 O GLU A 35 -0.065 0.445 9.328 1.00 0.00 O ATOM 572 CB GLU A 35 1.613 1.510 11.925 1.00 0.00 C ATOM 573 CG GLU A 35 1.604 1.685 13.435 1.00 0.00 C ATOM 574 CD GLU A 35 0.201 1.737 14.008 1.00 0.00 C ATOM 575 OE1 GLU A 35 -0.694 2.296 13.340 1.00 0.00 O ATOM 576 OE2 GLU A 35 -0.003 1.219 15.127 1.00 0.00 O ATOM 0 H GLU A 35 2.466 -1.327 11.330 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.002 0.080 11.823 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.639 1.587 11.566 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.054 2.328 11.471 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.150 0.862 13.896 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.132 2.603 13.694 1.00 0.00 H new ATOM 583 N ARG A 36 2.089 -0.207 9.280 1.00 0.00 N ATOM 584 CA ARG A 36 2.129 -0.253 7.826 1.00 0.00 C ATOM 585 C ARG A 36 3.401 -0.895 7.294 1.00 0.00 C ATOM 586 O ARG A 36 4.370 -1.110 8.022 1.00 0.00 O ATOM 587 CB ARG A 36 2.007 1.156 7.242 1.00 0.00 C ATOM 588 CG ARG A 36 3.151 2.075 7.647 1.00 0.00 C ATOM 589 CD ARG A 36 2.662 3.477 7.970 1.00 0.00 C ATOM 590 NE ARG A 36 3.768 4.413 8.153 1.00 0.00 N ATOM 591 CZ ARG A 36 3.655 5.581 8.781 1.00 0.00 C ATOM 592 NH1 ARG A 36 2.488 5.961 9.285 1.00 0.00 N ATOM 593 NH2 ARG A 36 4.712 6.373 8.904 1.00 0.00 N ATOM 0 H ARG A 36 2.963 -0.460 9.741 1.00 0.00 H new ATOM 0 HA ARG A 36 1.284 -0.868 7.516 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.971 1.090 6.155 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.064 1.596 7.566 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.661 1.659 8.516 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.882 2.122 6.840 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.017 3.830 7.165 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.056 3.450 8.876 1.00 0.00 H new ATOM 0 HE ARG A 36 4.681 4.156 7.777 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.671 5.357 9.192 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.407 6.857 9.765 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.611 6.087 8.517 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.625 7.268 9.385 1.00 0.00 H new ATOM 607 N GLY A 37 3.383 -1.159 5.993 1.00 0.00 N ATOM 608 CA GLY A 37 4.527 -1.733 5.318 1.00 0.00 C ATOM 609 C GLY A 37 5.191 -0.689 4.424 1.00 0.00 C ATOM 610 O GLY A 37 4.530 -0.114 3.560 1.00 0.00 O ATOM 0 H GLY A 37 2.582 -0.982 5.387 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.243 -2.103 6.052 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.214 -2.588 4.719 1.00 0.00 H new ATOM 614 N PHE A 38 6.480 -0.421 4.628 1.00 0.00 N ATOM 615 CA PHE A 38 7.187 0.575 3.836 1.00 0.00 C ATOM 616 C PHE A 38 7.999 -0.105 2.750 1.00 0.00 C ATOM 617 O PHE A 38 8.921 -0.860 3.040 1.00 0.00 O ATOM 618 CB PHE A 38 8.095 1.388 4.760 1.00 0.00 C ATOM 619 CG PHE A 38 8.870 2.495 4.092 1.00 0.00 C ATOM 620 CD1 PHE A 38 8.228 3.641 3.642 1.00 0.00 C ATOM 621 CD2 PHE A 38 10.248 2.406 3.946 1.00 0.00 C ATOM 622 CE1 PHE A 38 8.943 4.670 3.062 1.00 0.00 C ATOM 623 CE2 PHE A 38 10.967 3.435 3.369 1.00 0.00 C ATOM 624 CZ PHE A 38 10.314 4.569 2.927 1.00 0.00 C ATOM 0 H PHE A 38 7.053 -0.881 5.335 1.00 0.00 H new ATOM 0 HA PHE A 38 6.472 1.243 3.356 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.485 1.821 5.552 1.00 0.00 H new ATOM 0 HB3 PHE A 38 8.802 0.709 5.237 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.157 3.729 3.747 1.00 0.00 H new ATOM 0 HD2 PHE A 38 10.764 1.521 4.288 1.00 0.00 H new ATOM 0 HE1 PHE A 38 8.430 5.554 2.714 1.00 0.00 H new ATOM 0 HE2 PHE A 38 12.039 3.353 3.264 1.00 0.00 H new ATOM 0 HZ PHE A 38 10.874 5.375 2.477 1.00 0.00 H new ATOM 634 N ILE A 39 7.658 0.172 1.502 1.00 0.00 N ATOM 635 CA ILE A 39 8.375 -0.418 0.375 1.00 0.00 C ATOM 636 C ILE A 39 8.784 0.683 -0.595 1.00 0.00 C ATOM 637 O ILE A 39 7.948 1.199 -1.337 1.00 0.00 O ATOM 638 CB ILE A 39 7.526 -1.472 -0.390 1.00 0.00 C ATOM 639 CG1 ILE A 39 6.629 -2.289 0.570 1.00 0.00 C ATOM 640 CG2 ILE A 39 8.447 -2.391 -1.192 1.00 0.00 C ATOM 641 CD1 ILE A 39 6.127 -3.601 -0.006 1.00 0.00 C ATOM 0 H ILE A 39 6.895 0.797 1.241 1.00 0.00 H new ATOM 0 HA ILE A 39 9.249 -0.928 0.781 1.00 0.00 H new ATOM 0 HB ILE A 39 6.862 -0.945 -1.076 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.188 -2.497 1.482 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.771 -1.679 0.854 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.849 -3.129 -1.727 1.00 0.00 H new ATOM 0 HG22 ILE A 39 9.018 -1.799 -1.907 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.132 -2.901 -0.514 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.507 -4.109 0.732 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.537 -3.403 -0.901 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.976 -4.234 -0.263 1.00 0.00 H new ATOM 653 N ASP A 40 10.062 1.069 -0.580 1.00 0.00 N ATOM 654 CA ASP A 40 10.522 2.136 -1.459 1.00 0.00 C ATOM 655 C ASP A 40 11.507 1.648 -2.511 1.00 0.00 C ATOM 656 O ASP A 40 12.413 0.862 -2.231 1.00 0.00 O ATOM 657 CB ASP A 40 11.148 3.278 -0.652 1.00 0.00 C ATOM 658 CG ASP A 40 12.035 2.794 0.480 1.00 0.00 C ATOM 659 OD1 ASP A 40 11.621 1.869 1.210 1.00 0.00 O ATOM 660 OD2 ASP A 40 13.143 3.348 0.640 1.00 0.00 O ATOM 0 H ASP A 40 10.781 0.665 0.020 1.00 0.00 H new ATOM 0 HA ASP A 40 9.639 2.503 -1.982 1.00 0.00 H new ATOM 0 HB2 ASP A 40 11.735 3.908 -1.321 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.354 3.902 -0.242 1.00 0.00 H new ATOM 665 N PHE A 41 11.313 2.148 -3.724 1.00 0.00 N ATOM 666 CA PHE A 41 12.166 1.813 -4.864 1.00 0.00 C ATOM 667 C PHE A 41 13.333 2.795 -4.966 1.00 0.00 C ATOM 668 O PHE A 41 14.131 2.739 -5.902 1.00 0.00 O ATOM 669 CB PHE A 41 11.343 1.883 -6.150 1.00 0.00 C ATOM 670 CG PHE A 41 11.717 0.875 -7.203 1.00 0.00 C ATOM 671 CD1 PHE A 41 13.017 0.401 -7.319 1.00 0.00 C ATOM 672 CD2 PHE A 41 10.758 0.402 -8.083 1.00 0.00 C ATOM 673 CE1 PHE A 41 13.348 -0.524 -8.291 1.00 0.00 C ATOM 674 CE2 PHE A 41 11.083 -0.522 -9.057 1.00 0.00 C ATOM 675 CZ PHE A 41 12.380 -0.986 -9.161 1.00 0.00 C ATOM 0 H PHE A 41 10.560 2.798 -3.949 1.00 0.00 H new ATOM 0 HA PHE A 41 12.559 0.806 -4.723 1.00 0.00 H new ATOM 0 HB2 PHE A 41 10.291 1.748 -5.898 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.444 2.882 -6.574 1.00 0.00 H new ATOM 0 HD1 PHE A 41 13.778 0.759 -6.642 1.00 0.00 H new ATOM 0 HD2 PHE A 41 9.742 0.760 -8.007 1.00 0.00 H new ATOM 0 HE1 PHE A 41 14.363 -0.885 -8.370 1.00 0.00 H new ATOM 0 HE2 PHE A 41 10.324 -0.881 -9.736 1.00 0.00 H new ATOM 0 HZ PHE A 41 12.637 -1.709 -9.921 1.00 0.00 H new ATOM 685 N GLY A 42 13.403 3.710 -4.010 1.00 0.00 N ATOM 686 CA GLY A 42 14.448 4.718 -4.011 1.00 0.00 C ATOM 687 C GLY A 42 13.891 6.094 -4.325 1.00 0.00 C ATOM 688 O GLY A 42 13.616 6.881 -3.417 1.00 0.00 O ATOM 0 H GLY A 42 12.751 3.774 -3.228 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.939 4.736 -3.038 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.208 4.455 -4.747 1.00 0.00 H new ATOM 692 N ASP A 43 13.690 6.373 -5.610 1.00 0.00 N ATOM 693 CA ASP A 43 13.121 7.649 -6.041 1.00 0.00 C ATOM 694 C ASP A 43 11.607 7.508 -6.148 1.00 0.00 C ATOM 695 O ASP A 43 11.000 7.851 -7.163 1.00 0.00 O ATOM 696 CB ASP A 43 13.711 8.077 -7.387 1.00 0.00 C ATOM 697 CG ASP A 43 13.677 6.962 -8.415 1.00 0.00 C ATOM 698 OD1 ASP A 43 14.229 5.878 -8.132 1.00 0.00 O ATOM 699 OD2 ASP A 43 13.099 7.173 -9.501 1.00 0.00 O ATOM 0 H ASP A 43 13.912 5.733 -6.372 1.00 0.00 H new ATOM 0 HA ASP A 43 13.366 8.417 -5.307 1.00 0.00 H new ATOM 0 HB2 ASP A 43 13.156 8.935 -7.767 1.00 0.00 H new ATOM 0 HB3 ASP A 43 14.741 8.402 -7.242 1.00 0.00 H new ATOM 704 N SER A 44 11.019 6.967 -5.085 1.00 0.00 N ATOM 705 CA SER A 44 9.584 6.716 -5.000 1.00 0.00 C ATOM 706 C SER A 44 9.335 5.729 -3.860 1.00 0.00 C ATOM 707 O SER A 44 10.250 5.008 -3.464 1.00 0.00 O ATOM 708 CB SER A 44 9.061 6.158 -6.332 1.00 0.00 C ATOM 709 OG SER A 44 10.069 5.425 -7.006 1.00 0.00 O ATOM 0 H SER A 44 11.532 6.687 -4.249 1.00 0.00 H new ATOM 0 HA SER A 44 9.051 7.646 -4.801 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.200 5.515 -6.148 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.718 6.977 -6.964 1.00 0.00 H new ATOM 0 HG SER A 44 10.559 6.022 -7.609 1.00 0.00 H new ATOM 715 N ASN A 45 8.120 5.695 -3.312 1.00 0.00 N ATOM 716 CA ASN A 45 7.838 4.785 -2.207 1.00 0.00 C ATOM 717 C ASN A 45 6.379 4.354 -2.205 1.00 0.00 C ATOM 718 O ASN A 45 5.560 4.897 -2.945 1.00 0.00 O ATOM 719 CB ASN A 45 8.184 5.436 -0.858 1.00 0.00 C ATOM 720 CG ASN A 45 9.222 6.541 -0.973 1.00 0.00 C ATOM 721 OD1 ASN A 45 9.086 7.460 -1.780 1.00 0.00 O ATOM 722 ND2 ASN A 45 10.266 6.456 -0.156 1.00 0.00 N ATOM 0 H ASN A 45 7.333 6.273 -3.608 1.00 0.00 H new ATOM 0 HA ASN A 45 8.462 3.903 -2.347 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.275 5.845 -0.416 1.00 0.00 H new ATOM 0 HB3 ASN A 45 8.553 4.670 -0.176 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.994 7.170 -0.183 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.340 5.677 0.498 1.00 0.00 H new ATOM 729 N CYS A 46 6.059 3.376 -1.362 1.00 0.00 N ATOM 730 CA CYS A 46 4.696 2.881 -1.266 1.00 0.00 C ATOM 731 C CYS A 46 4.433 2.279 0.112 1.00 0.00 C ATOM 732 O CYS A 46 4.852 1.160 0.404 1.00 0.00 O ATOM 733 CB CYS A 46 4.436 1.843 -2.353 1.00 0.00 C ATOM 734 SG CYS A 46 2.706 1.716 -2.852 1.00 0.00 S ATOM 0 H CYS A 46 6.723 2.915 -0.740 1.00 0.00 H new ATOM 0 HA CYS A 46 4.015 3.721 -1.408 1.00 0.00 H new ATOM 0 HB2 CYS A 46 5.038 2.090 -3.227 1.00 0.00 H new ATOM 0 HB3 CYS A 46 4.773 0.869 -1.998 1.00 0.00 H new ATOM 0 HG CYS A 46 2.633 1.172 -4.030 1.00 0.00 H new ATOM 740 N GLU A 47 3.737 3.037 0.952 1.00 0.00 N ATOM 741 CA GLU A 47 3.410 2.596 2.301 1.00 0.00 C ATOM 742 C GLU A 47 2.001 2.006 2.328 1.00 0.00 C ATOM 743 O GLU A 47 1.166 2.348 1.491 1.00 0.00 O ATOM 744 CB GLU A 47 3.530 3.784 3.263 1.00 0.00 C ATOM 745 CG GLU A 47 3.976 3.437 4.681 1.00 0.00 C ATOM 746 CD GLU A 47 4.735 4.573 5.339 1.00 0.00 C ATOM 747 OE1 GLU A 47 4.182 5.691 5.414 1.00 0.00 O ATOM 748 OE2 GLU A 47 5.881 4.345 5.778 1.00 0.00 O ATOM 0 H GLU A 47 3.387 3.966 0.719 1.00 0.00 H new ATOM 0 HA GLU A 47 4.106 1.819 2.617 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.237 4.500 2.843 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.563 4.285 3.317 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.102 3.189 5.284 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.607 2.549 4.654 1.00 0.00 H new ATOM 755 N LEU A 48 1.738 1.116 3.279 1.00 0.00 N ATOM 756 CA LEU A 48 0.418 0.488 3.378 1.00 0.00 C ATOM 757 C LEU A 48 -0.023 0.369 4.831 1.00 0.00 C ATOM 758 O LEU A 48 0.528 -0.424 5.592 1.00 0.00 O ATOM 759 CB LEU A 48 0.422 -0.899 2.697 1.00 0.00 C ATOM 760 CG LEU A 48 -0.910 -1.666 2.721 1.00 0.00 C ATOM 761 CD1 LEU A 48 -2.083 -0.745 2.420 1.00 0.00 C ATOM 762 CD2 LEU A 48 -0.879 -2.824 1.730 1.00 0.00 C ATOM 0 H LEU A 48 2.409 0.814 3.985 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.297 1.126 2.859 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.726 -0.771 1.658 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.182 -1.515 3.177 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.045 -2.067 3.726 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.010 -1.317 2.444 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.125 0.047 3.168 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.955 -0.304 1.432 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.830 -3.355 1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.712 -2.438 0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.073 -3.508 1.995 1.00 0.00 H new ATOM 774 N LEU A 49 -1.038 1.148 5.204 1.00 0.00 N ATOM 775 CA LEU A 49 -1.564 1.109 6.572 1.00 0.00 C ATOM 776 C LEU A 49 -2.597 0.010 6.674 1.00 0.00 C ATOM 777 O LEU A 49 -3.463 -0.105 5.812 1.00 0.00 O ATOM 778 CB LEU A 49 -2.183 2.449 6.981 1.00 0.00 C ATOM 779 CG LEU A 49 -2.329 2.649 8.493 1.00 0.00 C ATOM 780 CD1 LEU A 49 -1.309 3.657 9.001 1.00 0.00 C ATOM 781 CD2 LEU A 49 -3.741 3.096 8.839 1.00 0.00 C ATOM 0 H LEU A 49 -1.510 1.808 4.586 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.736 0.911 7.252 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.570 3.255 6.579 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.167 2.536 6.520 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.141 1.695 8.985 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.429 3.785 10.077 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.303 3.295 8.789 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.463 4.614 8.502 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.825 3.233 9.917 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.958 4.038 8.336 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.453 2.338 8.513 1.00 0.00 H new ATOM 793 N ALA A 50 -2.494 -0.819 7.700 1.00 0.00 N ATOM 794 CA ALA A 50 -3.426 -1.922 7.845 1.00 0.00 C ATOM 795 C ALA A 50 -3.790 -2.214 9.293 1.00 0.00 C ATOM 796 O ALA A 50 -2.960 -2.665 10.082 1.00 0.00 O ATOM 797 CB ALA A 50 -2.850 -3.151 7.175 1.00 0.00 C ATOM 0 H ALA A 50 -1.787 -0.751 8.432 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.357 -1.632 7.359 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.546 -3.983 7.281 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.688 -2.946 6.117 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.901 -3.410 7.644 1.00 0.00 H new ATOM 803 N HIS A 51 -5.059 -1.984 9.614 1.00 0.00 N ATOM 804 CA HIS A 51 -5.584 -2.244 10.930 1.00 0.00 C ATOM 805 C HIS A 51 -6.567 -3.421 10.838 1.00 0.00 C ATOM 806 O HIS A 51 -6.984 -3.805 9.746 1.00 0.00 O ATOM 807 CB HIS A 51 -6.253 -0.982 11.501 1.00 0.00 C ATOM 808 CG HIS A 51 -5.918 -0.722 12.939 1.00 0.00 C ATOM 809 ND1 HIS A 51 -6.828 -0.211 13.842 1.00 0.00 N ATOM 810 CD2 HIS A 51 -4.769 -0.911 13.634 1.00 0.00 C ATOM 811 CE1 HIS A 51 -6.253 -0.093 15.026 1.00 0.00 C ATOM 812 NE2 HIS A 51 -5.006 -0.511 14.926 1.00 0.00 N ATOM 0 H HIS A 51 -5.746 -1.611 8.959 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.778 -2.510 11.614 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.952 -0.120 10.905 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -7.334 -1.077 11.400 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -3.841 -1.303 13.244 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.724 0.282 15.923 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.327 -0.534 15.686 1.00 0.00 H new ATOM 821 N PRO A 52 -6.926 -4.020 11.974 1.00 0.00 N ATOM 822 CA PRO A 52 -7.833 -5.177 12.031 1.00 0.00 C ATOM 823 C PRO A 52 -9.101 -5.033 11.188 1.00 0.00 C ATOM 824 O PRO A 52 -9.748 -6.034 10.880 1.00 0.00 O ATOM 825 CB PRO A 52 -8.183 -5.260 13.515 1.00 0.00 C ATOM 826 CG PRO A 52 -6.980 -4.719 14.199 1.00 0.00 C ATOM 827 CD PRO A 52 -6.456 -3.629 13.304 1.00 0.00 C ATOM 0 HA PRO A 52 -7.357 -6.067 11.620 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.072 -4.674 13.749 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.388 -6.286 13.820 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -7.233 -4.328 15.185 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.231 -5.497 14.347 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.842 -2.652 13.594 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.368 -3.567 13.343 1.00 0.00 H new ATOM 835 N ASP A 53 -9.476 -3.808 10.821 1.00 0.00 N ATOM 836 CA ASP A 53 -10.690 -3.620 10.028 1.00 0.00 C ATOM 837 C ASP A 53 -10.565 -2.531 8.965 1.00 0.00 C ATOM 838 O ASP A 53 -11.523 -2.281 8.233 1.00 0.00 O ATOM 839 CB ASP A 53 -11.883 -3.320 10.941 1.00 0.00 C ATOM 840 CG ASP A 53 -11.911 -4.205 12.172 1.00 0.00 C ATOM 841 OD1 ASP A 53 -12.224 -5.405 12.034 1.00 0.00 O ATOM 842 OD2 ASP A 53 -11.618 -3.696 13.275 1.00 0.00 O ATOM 0 H ASP A 53 -8.972 -2.952 11.052 1.00 0.00 H new ATOM 0 HA ASP A 53 -10.850 -4.558 9.497 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.846 -2.275 11.250 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -12.808 -3.454 10.380 1.00 0.00 H new ATOM 847 N HIS A 54 -9.401 -1.903 8.840 1.00 0.00 N ATOM 848 CA HIS A 54 -9.238 -0.882 7.808 1.00 0.00 C ATOM 849 C HIS A 54 -7.818 -0.871 7.245 1.00 0.00 C ATOM 850 O HIS A 54 -6.881 -1.330 7.896 1.00 0.00 O ATOM 851 CB HIS A 54 -9.623 0.504 8.326 1.00 0.00 C ATOM 852 CG HIS A 54 -8.852 0.947 9.529 1.00 0.00 C ATOM 853 ND1 HIS A 54 -7.694 1.691 9.449 1.00 0.00 N ATOM 854 CD2 HIS A 54 -9.086 0.764 10.851 1.00 0.00 C ATOM 855 CE1 HIS A 54 -7.250 1.946 10.665 1.00 0.00 C ATOM 856 NE2 HIS A 54 -8.077 1.395 11.536 1.00 0.00 N ATOM 0 H HIS A 54 -8.579 -2.074 9.419 1.00 0.00 H new ATOM 0 HA HIS A 54 -9.918 -1.140 6.996 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -9.477 1.231 7.527 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -10.686 0.506 8.569 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -9.913 0.222 11.286 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -6.361 2.510 10.907 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -7.981 1.432 12.551 1.00 0.00 H new ATOM 865 N VAL A 55 -7.665 -0.351 6.023 1.00 0.00 N ATOM 866 CA VAL A 55 -6.365 -0.293 5.377 1.00 0.00 C ATOM 867 C VAL A 55 -6.201 1.020 4.612 1.00 0.00 C ATOM 868 O VAL A 55 -7.128 1.487 3.952 1.00 0.00 O ATOM 869 CB VAL A 55 -6.168 -1.498 4.424 1.00 0.00 C ATOM 870 CG1 VAL A 55 -6.685 -1.203 3.021 1.00 0.00 C ATOM 871 CG2 VAL A 55 -4.710 -1.928 4.380 1.00 0.00 C ATOM 0 H VAL A 55 -8.429 0.034 5.468 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.601 -0.341 6.153 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.758 -2.323 4.824 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.528 -2.074 2.385 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.750 -0.974 3.066 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.148 -0.350 2.607 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.601 -2.776 3.703 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.097 -1.099 4.026 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.386 -2.218 5.380 1.00 0.00 H new ATOM 881 N LEU A 56 -5.016 1.602 4.707 1.00 0.00 N ATOM 882 CA LEU A 56 -4.721 2.861 4.026 1.00 0.00 C ATOM 883 C LEU A 56 -3.549 2.673 3.072 1.00 0.00 C ATOM 884 O LEU A 56 -2.626 1.910 3.353 1.00 0.00 O ATOM 885 CB LEU A 56 -4.401 3.968 5.048 1.00 0.00 C ATOM 886 CG LEU A 56 -5.405 5.124 5.140 1.00 0.00 C ATOM 887 CD1 LEU A 56 -5.002 6.087 6.250 1.00 0.00 C ATOM 888 CD2 LEU A 56 -5.518 5.870 3.816 1.00 0.00 C ATOM 0 H LEU A 56 -4.239 1.225 5.249 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.600 3.163 3.456 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.317 3.509 6.033 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.423 4.384 4.806 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.382 4.699 5.372 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.723 6.902 6.304 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.982 5.557 7.202 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.012 6.492 6.039 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.238 6.683 3.916 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.545 6.279 3.544 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.853 5.183 3.039 1.00 0.00 H new ATOM 900 N MET A 57 -3.593 3.362 1.941 1.00 0.00 N ATOM 901 CA MET A 57 -2.531 3.252 0.949 1.00 0.00 C ATOM 902 C MET A 57 -1.995 4.629 0.564 1.00 0.00 C ATOM 903 O MET A 57 -2.709 5.436 -0.029 1.00 0.00 O ATOM 904 CB MET A 57 -3.058 2.503 -0.279 1.00 0.00 C ATOM 905 CG MET A 57 -3.949 1.327 0.088 1.00 0.00 C ATOM 906 SD MET A 57 -4.563 0.441 -1.358 1.00 0.00 S ATOM 907 CE MET A 57 -6.258 1.017 -1.416 1.00 0.00 C ATOM 0 H MET A 57 -4.347 4.000 1.687 1.00 0.00 H new ATOM 0 HA MET A 57 -1.701 2.690 1.378 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.618 3.195 -0.909 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.215 2.144 -0.870 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.391 0.638 0.722 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.794 1.686 0.675 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.930 0.196 -1.165 1.00 0.00 H new ATOM 0 HE2 MET A 57 -6.392 1.828 -0.700 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.485 1.378 -2.419 1.00 0.00 H new ATOM 917 N ILE A 58 -0.730 4.895 0.905 1.00 0.00 N ATOM 918 CA ILE A 58 -0.111 6.170 0.594 1.00 0.00 C ATOM 919 C ILE A 58 1.168 5.968 -0.211 1.00 0.00 C ATOM 920 O ILE A 58 1.968 5.082 0.090 1.00 0.00 O ATOM 921 CB ILE A 58 0.236 6.959 1.875 1.00 0.00 C ATOM 922 CG1 ILE A 58 -0.999 7.092 2.785 1.00 0.00 C ATOM 923 CG2 ILE A 58 0.801 8.323 1.509 1.00 0.00 C ATOM 924 CD1 ILE A 58 -1.308 8.516 3.218 1.00 0.00 C ATOM 0 H ILE A 58 -0.122 4.239 1.396 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.834 6.738 0.008 1.00 0.00 H new ATOM 0 HB ILE A 58 0.997 6.411 2.431 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.866 6.688 2.262 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.848 6.479 3.674 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.043 8.873 2.419 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.704 8.195 0.912 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.062 8.881 0.934 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.192 8.519 3.856 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.460 8.920 3.771 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.494 9.132 2.338 1.00 0.00 H new ATOM 936 N LEU A 59 1.360 6.798 -1.228 1.00 0.00 N ATOM 937 CA LEU A 59 2.550 6.709 -2.064 1.00 0.00 C ATOM 938 C LEU A 59 3.353 7.998 -2.012 1.00 0.00 C ATOM 939 O LEU A 59 2.791 9.088 -1.976 1.00 0.00 O ATOM 940 CB LEU A 59 2.177 6.385 -3.523 1.00 0.00 C ATOM 941 CG LEU A 59 1.696 7.554 -4.395 1.00 0.00 C ATOM 942 CD1 LEU A 59 0.495 8.223 -3.769 1.00 0.00 C ATOM 943 CD2 LEU A 59 2.807 8.568 -4.640 1.00 0.00 C ATOM 0 H LEU A 59 0.710 7.538 -1.493 1.00 0.00 H new ATOM 0 HA LEU A 59 3.165 5.899 -1.671 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.047 5.939 -4.004 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.395 5.626 -3.512 1.00 0.00 H new ATOM 0 HG LEU A 59 1.405 7.145 -5.363 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.168 9.049 -4.401 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.314 7.499 -3.670 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.763 8.604 -2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.428 9.380 -5.261 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.150 8.970 -3.686 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.639 8.081 -5.148 1.00 0.00 H new ATOM 955 N ASN A 60 4.669 7.867 -2.056 1.00 0.00 N ATOM 956 CA ASN A 60 5.545 9.027 -2.068 1.00 0.00 C ATOM 957 C ASN A 60 6.396 8.967 -3.322 1.00 0.00 C ATOM 958 O ASN A 60 7.341 8.183 -3.401 1.00 0.00 O ATOM 959 CB ASN A 60 6.436 9.062 -0.823 1.00 0.00 C ATOM 960 CG ASN A 60 5.691 8.674 0.441 1.00 0.00 C ATOM 961 OD1 ASN A 60 5.454 9.507 1.315 1.00 0.00 O ATOM 962 ND2 ASN A 60 5.322 7.403 0.546 1.00 0.00 N ATOM 0 H ASN A 60 5.154 6.970 -2.084 1.00 0.00 H new ATOM 0 HA ASN A 60 4.943 9.935 -2.062 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.279 8.386 -0.965 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.848 10.064 -0.704 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.821 7.084 1.376 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.539 6.745 -0.203 1.00 0.00 H new ATOM 969 N SER A 61 6.045 9.771 -4.319 1.00 0.00 N ATOM 970 CA SER A 61 6.792 9.748 -5.582 1.00 0.00 C ATOM 971 C SER A 61 6.791 11.101 -6.305 1.00 0.00 C ATOM 972 O SER A 61 5.757 11.758 -6.428 1.00 0.00 O ATOM 973 CB SER A 61 6.226 8.666 -6.506 1.00 0.00 C ATOM 974 OG SER A 61 5.361 7.792 -5.803 1.00 0.00 O ATOM 0 H SER A 61 5.269 10.433 -4.286 1.00 0.00 H new ATOM 0 HA SER A 61 7.828 9.523 -5.330 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.685 9.133 -7.329 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.044 8.096 -6.946 1.00 0.00 H new ATOM 0 HG SER A 61 5.888 7.217 -5.210 1.00 0.00 H new ATOM 980 N PRO A 62 7.978 11.523 -6.785 1.00 0.00 N ATOM 981 CA PRO A 62 8.173 12.798 -7.501 1.00 0.00 C ATOM 982 C PRO A 62 7.428 12.906 -8.829 1.00 0.00 C ATOM 983 O PRO A 62 7.333 13.995 -9.395 1.00 0.00 O ATOM 984 CB PRO A 62 9.680 12.830 -7.751 1.00 0.00 C ATOM 985 CG PRO A 62 10.110 11.408 -7.689 1.00 0.00 C ATOM 986 CD PRO A 62 9.244 10.788 -6.643 1.00 0.00 C ATOM 0 HA PRO A 62 7.780 13.627 -6.913 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.910 13.270 -8.721 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.192 13.430 -6.999 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.981 10.914 -8.652 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.165 11.326 -7.428 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.111 9.719 -6.810 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.669 10.904 -5.646 1.00 0.00 H new ATOM 994 N ASP A 63 6.904 11.797 -9.337 1.00 0.00 N ATOM 995 CA ASP A 63 6.185 11.831 -10.605 1.00 0.00 C ATOM 996 C ASP A 63 4.870 11.069 -10.497 1.00 0.00 C ATOM 997 O ASP A 63 4.776 10.100 -9.747 1.00 0.00 O ATOM 998 CB ASP A 63 7.045 11.235 -11.720 1.00 0.00 C ATOM 999 CG ASP A 63 7.491 9.819 -11.413 1.00 0.00 C ATOM 1000 OD1 ASP A 63 8.235 9.632 -10.428 1.00 0.00 O ATOM 1001 OD2 ASP A 63 7.099 8.898 -12.160 1.00 0.00 O ATOM 0 H ASP A 63 6.961 10.877 -8.899 1.00 0.00 H new ATOM 0 HA ASP A 63 5.966 12.871 -10.846 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.481 11.241 -12.653 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.922 11.864 -11.874 1.00 0.00 H new ATOM 1006 N GLU A 64 3.852 11.502 -11.240 1.00 0.00 N ATOM 1007 CA GLU A 64 2.559 10.815 -11.184 1.00 0.00 C ATOM 1008 C GLU A 64 2.692 9.374 -11.681 1.00 0.00 C ATOM 1009 O GLU A 64 2.169 8.459 -11.051 1.00 0.00 O ATOM 1010 CB GLU A 64 1.463 11.553 -11.961 1.00 0.00 C ATOM 1011 CG GLU A 64 0.092 11.323 -11.362 1.00 0.00 C ATOM 1012 CD GLU A 64 -0.986 11.133 -12.412 1.00 0.00 C ATOM 1013 OE1 GLU A 64 -0.705 10.481 -13.440 1.00 0.00 O ATOM 1014 OE2 GLU A 64 -2.111 11.636 -12.205 1.00 0.00 O ATOM 0 H GLU A 64 3.891 12.302 -11.871 1.00 0.00 H new ATOM 0 HA GLU A 64 2.253 10.805 -10.138 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.681 12.621 -11.969 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.466 11.219 -12.999 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.125 10.444 -10.719 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.170 12.171 -10.729 1.00 0.00 H new ATOM 1021 N ASP A 65 3.413 9.156 -12.792 1.00 0.00 N ATOM 1022 CA ASP A 65 3.611 7.801 -13.301 1.00 0.00 C ATOM 1023 C ASP A 65 4.064 6.909 -12.156 1.00 0.00 C ATOM 1024 O ASP A 65 3.433 5.898 -11.846 1.00 0.00 O ATOM 1025 CB ASP A 65 4.669 7.801 -14.398 1.00 0.00 C ATOM 1026 CG ASP A 65 4.767 6.467 -15.113 1.00 0.00 C ATOM 1027 OD1 ASP A 65 3.711 5.921 -15.497 1.00 0.00 O ATOM 1028 OD2 ASP A 65 5.899 5.970 -15.289 1.00 0.00 O ATOM 0 H ASP A 65 3.859 9.890 -13.343 1.00 0.00 H new ATOM 0 HA ASP A 65 2.675 7.429 -13.718 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.436 8.581 -15.123 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.638 8.048 -13.964 1.00 0.00 H new ATOM 1033 N SER A 66 5.135 7.337 -11.495 1.00 0.00 N ATOM 1034 CA SER A 66 5.652 6.625 -10.332 1.00 0.00 C ATOM 1035 C SER A 66 4.562 6.584 -9.269 1.00 0.00 C ATOM 1036 O SER A 66 4.142 5.524 -8.810 1.00 0.00 O ATOM 1037 CB SER A 66 6.887 7.335 -9.776 1.00 0.00 C ATOM 1038 OG SER A 66 7.451 6.608 -8.701 1.00 0.00 O ATOM 0 H SER A 66 5.662 8.174 -11.745 1.00 0.00 H new ATOM 0 HA SER A 66 5.939 5.614 -10.620 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.628 7.455 -10.566 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.615 8.335 -9.440 1.00 0.00 H new ATOM 0 HG SER A 66 6.842 5.887 -8.439 1.00 0.00 H new ATOM 1044 N LEU A 67 4.105 7.778 -8.919 1.00 0.00 N ATOM 1045 CA LEU A 67 3.043 7.986 -7.935 1.00 0.00 C ATOM 1046 C LEU A 67 1.935 6.943 -8.086 1.00 0.00 C ATOM 1047 O LEU A 67 1.665 6.180 -7.159 1.00 0.00 O ATOM 1048 CB LEU A 67 2.503 9.424 -8.113 1.00 0.00 C ATOM 1049 CG LEU A 67 1.133 9.764 -7.512 1.00 0.00 C ATOM 1050 CD1 LEU A 67 0.885 11.259 -7.603 1.00 0.00 C ATOM 1051 CD2 LEU A 67 0.001 9.017 -8.206 1.00 0.00 C ATOM 0 H LEU A 67 4.465 8.646 -9.315 1.00 0.00 H new ATOM 0 HA LEU A 67 3.439 7.866 -6.926 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.234 10.109 -7.684 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.459 9.633 -9.182 1.00 0.00 H new ATOM 0 HG LEU A 67 1.148 9.450 -6.468 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.090 11.493 -7.174 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.661 11.791 -7.052 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.905 11.568 -8.648 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.950 9.289 -7.747 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.017 9.284 -9.263 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.158 7.943 -8.105 1.00 0.00 H new ATOM 1063 N ALA A 68 1.300 6.905 -9.248 1.00 0.00 N ATOM 1064 CA ALA A 68 0.231 5.946 -9.487 1.00 0.00 C ATOM 1065 C ALA A 68 0.780 4.526 -9.461 1.00 0.00 C ATOM 1066 O ALA A 68 0.101 3.595 -9.030 1.00 0.00 O ATOM 1067 CB ALA A 68 -0.454 6.231 -10.816 1.00 0.00 C ATOM 0 H ALA A 68 1.504 7.522 -10.035 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.509 6.045 -8.693 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.250 5.504 -10.978 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.877 7.235 -10.799 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.274 6.158 -11.624 1.00 0.00 H new ATOM 1073 N HIS A 69 2.023 4.369 -9.913 1.00 0.00 N ATOM 1074 CA HIS A 69 2.667 3.062 -9.926 1.00 0.00 C ATOM 1075 C HIS A 69 2.638 2.449 -8.533 1.00 0.00 C ATOM 1076 O HIS A 69 2.466 1.242 -8.374 1.00 0.00 O ATOM 1077 CB HIS A 69 4.113 3.181 -10.415 1.00 0.00 C ATOM 1078 CG HIS A 69 4.683 1.889 -10.913 1.00 0.00 C ATOM 1079 ND1 HIS A 69 4.084 0.667 -10.692 1.00 0.00 N ATOM 1080 CD2 HIS A 69 5.806 1.633 -11.624 1.00 0.00 C ATOM 1081 CE1 HIS A 69 4.813 -0.286 -11.247 1.00 0.00 C ATOM 1082 NE2 HIS A 69 5.863 0.275 -11.819 1.00 0.00 N ATOM 0 H HIS A 69 2.600 5.129 -10.273 1.00 0.00 H new ATOM 0 HA HIS A 69 2.120 2.414 -10.611 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.158 3.921 -11.214 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.734 3.553 -9.600 1.00 0.00 H new ATOM 0 HD1 HIS A 69 3.214 0.521 -10.180 1.00 0.00 H new ATOM 0 HD2 HIS A 69 6.523 2.361 -11.973 1.00 0.00 H new ATOM 0 HE1 HIS A 69 4.588 -1.342 -11.235 1.00 0.00 H new ATOM 1091 N MET A 70 2.803 3.300 -7.524 1.00 0.00 N ATOM 1092 CA MET A 70 2.791 2.844 -6.132 1.00 0.00 C ATOM 1093 C MET A 70 1.356 2.650 -5.621 1.00 0.00 C ATOM 1094 O MET A 70 0.995 1.556 -5.188 1.00 0.00 O ATOM 1095 CB MET A 70 3.543 3.825 -5.208 1.00 0.00 C ATOM 1096 CG MET A 70 4.357 4.893 -5.926 1.00 0.00 C ATOM 1097 SD MET A 70 5.753 4.203 -6.837 1.00 0.00 S ATOM 1098 CE MET A 70 6.507 3.179 -5.576 1.00 0.00 C ATOM 0 H MET A 70 2.946 4.303 -7.640 1.00 0.00 H new ATOM 0 HA MET A 70 3.305 1.883 -6.110 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.818 4.317 -4.560 1.00 0.00 H new ATOM 0 HB3 MET A 70 4.211 3.253 -4.563 1.00 0.00 H new ATOM 0 HG2 MET A 70 3.710 5.436 -6.615 1.00 0.00 H new ATOM 0 HG3 MET A 70 4.724 5.616 -5.198 1.00 0.00 H new ATOM 0 HE1 MET A 70 7.461 2.797 -5.940 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.673 3.772 -4.677 1.00 0.00 H new ATOM 0 HE3 MET A 70 5.847 2.344 -5.343 1.00 0.00 H new ATOM 1108 N GLN A 71 0.537 3.711 -5.662 1.00 0.00 N ATOM 1109 CA GLN A 71 -0.845 3.617 -5.184 1.00 0.00 C ATOM 1110 C GLN A 71 -1.599 2.464 -5.847 1.00 0.00 C ATOM 1111 O GLN A 71 -2.530 1.910 -5.262 1.00 0.00 O ATOM 1112 CB GLN A 71 -1.624 4.932 -5.379 1.00 0.00 C ATOM 1113 CG GLN A 71 -1.290 5.708 -6.636 1.00 0.00 C ATOM 1114 CD GLN A 71 -2.527 6.060 -7.442 1.00 0.00 C ATOM 1115 OE1 GLN A 71 -2.931 7.221 -7.505 1.00 0.00 O ATOM 1116 NE2 GLN A 71 -3.135 5.057 -8.063 1.00 0.00 N ATOM 0 H GLN A 71 0.804 4.630 -6.016 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.778 3.420 -4.114 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.690 4.705 -5.386 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.440 5.574 -4.517 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.763 6.623 -6.366 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.612 5.120 -7.254 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.766 4.109 -7.984 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.971 5.234 -8.619 1.00 0.00 H new ATOM 1125 N ASN A 72 -1.197 2.100 -7.061 1.00 0.00 N ATOM 1126 CA ASN A 72 -1.848 1.006 -7.777 1.00 0.00 C ATOM 1127 C ASN A 72 -1.308 -0.345 -7.317 1.00 0.00 C ATOM 1128 O ASN A 72 -2.073 -1.277 -7.070 1.00 0.00 O ATOM 1129 CB ASN A 72 -1.657 1.161 -9.286 1.00 0.00 C ATOM 1130 CG ASN A 72 -2.823 0.598 -10.076 1.00 0.00 C ATOM 1131 OD1 ASN A 72 -3.489 -0.340 -9.639 1.00 0.00 O ATOM 1132 ND2 ASN A 72 -3.074 1.170 -11.248 1.00 0.00 N ATOM 0 H ASN A 72 -0.430 2.542 -7.567 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.914 1.046 -7.552 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.534 2.217 -9.528 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -0.739 0.656 -9.587 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.845 0.834 -11.825 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -2.496 1.946 -11.571 1.00 0.00 H new ATOM 1139 N VAL A 73 0.017 -0.444 -7.201 1.00 0.00 N ATOM 1140 CA VAL A 73 0.664 -1.679 -6.767 1.00 0.00 C ATOM 1141 C VAL A 73 -0.047 -2.274 -5.551 1.00 0.00 C ATOM 1142 O VAL A 73 -0.234 -3.487 -5.460 1.00 0.00 O ATOM 1143 CB VAL A 73 2.156 -1.434 -6.438 1.00 0.00 C ATOM 1144 CG1 VAL A 73 2.717 -2.522 -5.533 1.00 0.00 C ATOM 1145 CG2 VAL A 73 2.969 -1.333 -7.718 1.00 0.00 C ATOM 0 H VAL A 73 0.663 0.319 -7.403 1.00 0.00 H new ATOM 0 HA VAL A 73 0.599 -2.391 -7.590 1.00 0.00 H new ATOM 0 HB VAL A 73 2.227 -0.489 -5.899 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.767 -2.316 -5.324 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.158 -2.541 -4.598 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.629 -3.489 -6.029 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.017 -1.161 -7.471 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.877 -2.261 -8.282 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.597 -0.504 -8.321 1.00 0.00 H new ATOM 1155 N VAL A 74 -0.444 -1.409 -4.622 1.00 0.00 N ATOM 1156 CA VAL A 74 -1.138 -1.857 -3.416 1.00 0.00 C ATOM 1157 C VAL A 74 -2.572 -2.286 -3.736 1.00 0.00 C ATOM 1158 O VAL A 74 -3.012 -3.353 -3.309 1.00 0.00 O ATOM 1159 CB VAL A 74 -1.162 -0.765 -2.325 1.00 0.00 C ATOM 1160 CG1 VAL A 74 -1.951 -1.224 -1.104 1.00 0.00 C ATOM 1161 CG2 VAL A 74 0.251 -0.365 -1.923 1.00 0.00 C ATOM 0 H VAL A 74 -0.299 -0.401 -4.679 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.581 -2.713 -3.034 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.661 0.108 -2.745 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.951 -0.434 -0.353 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.977 -1.446 -1.396 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.490 -2.120 -0.689 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.206 0.405 -1.153 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.779 -1.236 -1.534 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.781 0.022 -2.793 1.00 0.00 H new ATOM 1171 N ALA A 75 -3.297 -1.462 -4.501 1.00 0.00 N ATOM 1172 CA ALA A 75 -4.672 -1.785 -4.877 1.00 0.00 C ATOM 1173 C ALA A 75 -4.753 -3.205 -5.419 1.00 0.00 C ATOM 1174 O ALA A 75 -5.799 -3.853 -5.355 1.00 0.00 O ATOM 1175 CB ALA A 75 -5.193 -0.795 -5.912 1.00 0.00 C ATOM 0 H ALA A 75 -2.955 -0.574 -4.868 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.297 -1.714 -3.987 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.218 -1.053 -6.179 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.169 0.212 -5.496 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.565 -0.835 -6.802 1.00 0.00 H new ATOM 1181 N ASP A 76 -3.632 -3.682 -5.948 1.00 0.00 N ATOM 1182 CA ASP A 76 -3.555 -5.028 -6.500 1.00 0.00 C ATOM 1183 C ASP A 76 -3.453 -6.069 -5.386 1.00 0.00 C ATOM 1184 O ASP A 76 -4.060 -7.137 -5.464 1.00 0.00 O ATOM 1185 CB ASP A 76 -2.352 -5.148 -7.437 1.00 0.00 C ATOM 1186 CG ASP A 76 -2.654 -5.991 -8.661 1.00 0.00 C ATOM 1187 OD1 ASP A 76 -3.685 -5.737 -9.316 1.00 0.00 O ATOM 1188 OD2 ASP A 76 -1.858 -6.905 -8.963 1.00 0.00 O ATOM 0 H ASP A 76 -2.761 -3.154 -6.006 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.468 -5.215 -7.065 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.040 -4.152 -7.753 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.515 -5.587 -6.894 1.00 0.00 H new ATOM 1193 N HIS A 77 -2.672 -5.751 -4.356 1.00 0.00 N ATOM 1194 CA HIS A 77 -2.482 -6.669 -3.230 1.00 0.00 C ATOM 1195 C HIS A 77 -3.786 -6.904 -2.463 1.00 0.00 C ATOM 1196 O HIS A 77 -4.100 -8.038 -2.100 1.00 0.00 O ATOM 1197 CB HIS A 77 -1.400 -6.149 -2.276 1.00 0.00 C ATOM 1198 CG HIS A 77 -0.025 -6.138 -2.874 1.00 0.00 C ATOM 1199 ND1 HIS A 77 0.999 -5.347 -2.397 1.00 0.00 N ATOM 1200 CD2 HIS A 77 0.497 -6.836 -3.914 1.00 0.00 C ATOM 1201 CE1 HIS A 77 2.088 -5.555 -3.117 1.00 0.00 C ATOM 1202 NE2 HIS A 77 1.809 -6.454 -4.042 1.00 0.00 N ATOM 0 H HIS A 77 -2.162 -4.871 -4.275 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.158 -7.623 -3.646 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -1.659 -5.137 -1.964 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -1.391 -6.767 -1.378 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.023 -7.558 -4.527 1.00 0.00 H new ATOM 0 HE1 HIS A 77 3.043 -5.072 -2.973 1.00 0.00 H new ATOM 0 HE2 HIS A 77 2.463 -6.808 -4.740 1.00 0.00 H new ATOM 1211 N LEU A 78 -4.541 -5.836 -2.212 1.00 0.00 N ATOM 1212 CA LEU A 78 -5.800 -5.948 -1.487 1.00 0.00 C ATOM 1213 C LEU A 78 -6.785 -6.853 -2.227 1.00 0.00 C ATOM 1214 O LEU A 78 -7.721 -7.381 -1.629 1.00 0.00 O ATOM 1215 CB LEU A 78 -6.424 -4.560 -1.279 1.00 0.00 C ATOM 1216 CG LEU A 78 -5.702 -3.630 -0.290 1.00 0.00 C ATOM 1217 CD1 LEU A 78 -6.622 -2.493 0.127 1.00 0.00 C ATOM 1218 CD2 LEU A 78 -5.219 -4.395 0.936 1.00 0.00 C ATOM 0 H LEU A 78 -4.302 -4.887 -2.500 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.586 -6.394 -0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.474 -4.059 -2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.450 -4.694 -0.936 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.828 -3.215 -0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.100 -1.841 0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.915 -1.920 -0.753 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.512 -2.902 0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.713 -3.710 1.616 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.072 -4.845 1.443 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.526 -5.178 0.627 1.00 0.00 H new ATOM 1230 N GLN A 79 -6.574 -7.025 -3.529 1.00 0.00 N ATOM 1231 CA GLN A 79 -7.455 -7.858 -4.342 1.00 0.00 C ATOM 1232 C GLN A 79 -7.289 -9.344 -4.026 1.00 0.00 C ATOM 1233 O GLN A 79 -8.241 -10.010 -3.619 1.00 0.00 O ATOM 1234 CB GLN A 79 -7.185 -7.622 -5.829 1.00 0.00 C ATOM 1235 CG GLN A 79 -7.133 -6.154 -6.217 1.00 0.00 C ATOM 1236 CD GLN A 79 -8.100 -5.809 -7.332 1.00 0.00 C ATOM 1237 OE1 GLN A 79 -8.638 -6.692 -7.999 1.00 0.00 O ATOM 1238 NE2 GLN A 79 -8.323 -4.517 -7.545 1.00 0.00 N ATOM 0 H GLN A 79 -5.802 -6.600 -4.043 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.479 -7.573 -4.102 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.239 -8.093 -6.096 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.962 -8.115 -6.413 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.360 -5.543 -5.343 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.120 -5.901 -6.529 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.856 -3.817 -6.969 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.961 -4.225 -8.285 1.00 0.00 H new ATOM 1247 N ARG A 80 -6.085 -9.865 -4.241 1.00 0.00 N ATOM 1248 CA ARG A 80 -5.812 -11.280 -4.003 1.00 0.00 C ATOM 1249 C ARG A 80 -6.047 -11.679 -2.548 1.00 0.00 C ATOM 1250 O ARG A 80 -6.334 -12.842 -2.262 1.00 0.00 O ATOM 1251 CB ARG A 80 -4.382 -11.638 -4.413 1.00 0.00 C ATOM 1252 CG ARG A 80 -3.352 -10.584 -4.046 1.00 0.00 C ATOM 1253 CD ARG A 80 -2.207 -11.178 -3.240 1.00 0.00 C ATOM 1254 NE ARG A 80 -2.656 -11.696 -1.950 1.00 0.00 N ATOM 1255 CZ ARG A 80 -1.843 -11.942 -0.925 1.00 0.00 C ATOM 1256 NH1 ARG A 80 -0.540 -11.718 -1.035 1.00 0.00 N ATOM 1257 NH2 ARG A 80 -2.335 -12.413 0.213 1.00 0.00 N ATOM 0 H ARG A 80 -5.284 -9.331 -4.579 1.00 0.00 H new ATOM 0 HA ARG A 80 -6.514 -11.840 -4.620 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -4.105 -12.581 -3.942 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -4.354 -11.799 -5.491 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -2.960 -10.126 -4.954 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -3.830 -9.792 -3.470 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -1.741 -11.981 -3.811 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -1.444 -10.417 -3.079 1.00 0.00 H new ATOM 0 HE ARG A 80 -3.652 -11.880 -1.827 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -0.157 -11.356 -1.908 1.00 0.00 H new ATOM 0 HH12 ARG A 80 0.079 -11.908 -0.247 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -3.336 -12.587 0.303 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -1.712 -12.602 0.999 1.00 0.00 H new ATOM 1271 N MET A 81 -5.922 -10.728 -1.626 1.00 0.00 N ATOM 1272 CA MET A 81 -6.122 -11.033 -0.213 1.00 0.00 C ATOM 1273 C MET A 81 -7.606 -11.154 0.132 1.00 0.00 C ATOM 1274 O MET A 81 -7.966 -11.731 1.157 1.00 0.00 O ATOM 1275 CB MET A 81 -5.435 -9.990 0.686 1.00 0.00 C ATOM 1276 CG MET A 81 -5.985 -8.570 0.579 1.00 0.00 C ATOM 1277 SD MET A 81 -7.674 -8.408 1.198 1.00 0.00 S ATOM 1278 CE MET A 81 -7.872 -6.630 1.224 1.00 0.00 C ATOM 0 H MET A 81 -5.687 -9.756 -1.827 1.00 0.00 H new ATOM 0 HA MET A 81 -5.658 -12.001 -0.023 1.00 0.00 H new ATOM 0 HB2 MET A 81 -5.519 -10.317 1.722 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.373 -9.969 0.443 1.00 0.00 H new ATOM 0 HG2 MET A 81 -5.336 -7.894 1.135 1.00 0.00 H new ATOM 0 HG3 MET A 81 -5.956 -8.254 -0.464 1.00 0.00 H new ATOM 0 HE1 MET A 81 -8.913 -6.377 1.021 1.00 0.00 H new ATOM 0 HE2 MET A 81 -7.590 -6.247 2.205 1.00 0.00 H new ATOM 0 HE3 MET A 81 -7.234 -6.182 0.462 1.00 0.00 H new ATOM 1288 N ALA A 82 -8.467 -10.609 -0.726 1.00 0.00 N ATOM 1289 CA ALA A 82 -9.909 -10.668 -0.496 1.00 0.00 C ATOM 1290 C ALA A 82 -10.584 -11.622 -1.476 1.00 0.00 C ATOM 1291 O ALA A 82 -11.313 -12.529 -1.073 1.00 0.00 O ATOM 1292 CB ALA A 82 -10.524 -9.278 -0.598 1.00 0.00 C ATOM 0 H ALA A 82 -8.193 -10.125 -1.581 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.072 -11.049 0.512 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -11.598 -9.342 -0.424 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.073 -8.625 0.149 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.341 -8.871 -1.593 1.00 0.00 H new ATOM 1298 N ASN A 83 -10.334 -11.416 -2.766 1.00 0.00 N ATOM 1299 CA ASN A 83 -10.916 -12.262 -3.804 1.00 0.00 C ATOM 1300 C ASN A 83 -12.438 -12.169 -3.799 1.00 0.00 C ATOM 1301 O ASN A 83 -13.108 -12.812 -2.990 1.00 0.00 O ATOM 1302 CB ASN A 83 -10.483 -13.716 -3.608 1.00 0.00 C ATOM 1303 CG ASN A 83 -8.978 -13.886 -3.673 1.00 0.00 C ATOM 1304 OD1 ASN A 83 -8.291 -13.163 -4.395 1.00 0.00 O ATOM 1305 ND2 ASN A 83 -8.458 -14.844 -2.915 1.00 0.00 N ATOM 0 H ASN A 83 -9.733 -10.671 -3.118 1.00 0.00 H new ATOM 0 HA ASN A 83 -10.554 -11.907 -4.769 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -10.845 -14.073 -2.644 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -10.949 -14.337 -4.373 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.451 -15.005 -2.916 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -9.066 -15.419 -2.332 1.00 0.00 H new ATOM 1312 N SER A 84 -12.979 -11.364 -4.709 1.00 0.00 N ATOM 1313 CA SER A 84 -14.425 -11.183 -4.818 1.00 0.00 C ATOM 1314 C SER A 84 -14.759 -10.141 -5.882 1.00 0.00 C ATOM 1315 O SER A 84 -15.737 -10.277 -6.617 1.00 0.00 O ATOM 1316 CB SER A 84 -15.017 -10.759 -3.470 1.00 0.00 C ATOM 1317 OG SER A 84 -16.194 -11.491 -3.177 1.00 0.00 O ATOM 0 H SER A 84 -12.437 -10.825 -5.384 1.00 0.00 H new ATOM 0 HA SER A 84 -14.864 -12.137 -5.112 1.00 0.00 H new ATOM 0 HB2 SER A 84 -14.282 -10.916 -2.681 1.00 0.00 H new ATOM 0 HB3 SER A 84 -15.243 -9.693 -3.488 1.00 0.00 H new ATOM 0 HG SER A 84 -16.551 -11.203 -2.311 1.00 0.00 H new ATOM 1323 N GLU A 85 -13.938 -9.100 -5.952 1.00 0.00 N ATOM 1324 CA GLU A 85 -14.134 -8.027 -6.920 1.00 0.00 C ATOM 1325 C GLU A 85 -12.844 -7.238 -7.107 1.00 0.00 C ATOM 1326 O GLU A 85 -11.885 -7.423 -6.357 1.00 0.00 O ATOM 1327 CB GLU A 85 -15.250 -7.091 -6.452 1.00 0.00 C ATOM 1328 CG GLU A 85 -14.902 -6.312 -5.193 1.00 0.00 C ATOM 1329 CD GLU A 85 -15.944 -5.267 -4.846 1.00 0.00 C ATOM 1330 OE1 GLU A 85 -16.311 -4.475 -5.740 1.00 0.00 O ATOM 1331 OE2 GLU A 85 -16.395 -5.242 -3.681 1.00 0.00 O ATOM 0 H GLU A 85 -13.126 -8.976 -5.347 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.417 -8.471 -7.874 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.483 -6.388 -7.252 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -16.151 -7.676 -6.270 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.797 -7.006 -4.359 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -13.936 -5.826 -5.327 1.00 0.00 H new ATOM 1338 N SER A 86 -12.820 -6.353 -8.097 1.00 0.00 N ATOM 1339 CA SER A 86 -11.635 -5.545 -8.344 1.00 0.00 C ATOM 1340 C SER A 86 -11.486 -4.491 -7.254 1.00 0.00 C ATOM 1341 O SER A 86 -11.688 -3.302 -7.494 1.00 0.00 O ATOM 1342 CB SER A 86 -11.723 -4.874 -9.717 1.00 0.00 C ATOM 1343 OG SER A 86 -10.592 -4.054 -9.957 1.00 0.00 O ATOM 0 H SER A 86 -13.598 -6.179 -8.734 1.00 0.00 H new ATOM 0 HA SER A 86 -10.760 -6.195 -8.331 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.795 -5.636 -10.494 1.00 0.00 H new ATOM 0 HB3 SER A 86 -12.631 -4.273 -9.774 1.00 0.00 H new ATOM 0 HG SER A 86 -10.671 -3.638 -10.841 1.00 0.00 H new ATOM 1349 N LEU A 87 -11.141 -4.960 -6.052 1.00 0.00 N ATOM 1350 CA LEU A 87 -10.961 -4.104 -4.864 1.00 0.00 C ATOM 1351 C LEU A 87 -11.606 -2.737 -5.007 1.00 0.00 C ATOM 1352 O LEU A 87 -11.074 -1.862 -5.692 1.00 0.00 O ATOM 1353 CB LEU A 87 -9.475 -3.885 -4.527 1.00 0.00 C ATOM 1354 CG LEU A 87 -9.011 -4.397 -3.156 1.00 0.00 C ATOM 1355 CD1 LEU A 87 -9.081 -3.276 -2.130 1.00 0.00 C ATOM 1356 CD2 LEU A 87 -9.830 -5.592 -2.682 1.00 0.00 C ATOM 0 H LEU A 87 -10.976 -5.950 -5.869 1.00 0.00 H new ATOM 0 HA LEU A 87 -11.455 -4.650 -4.060 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.874 -4.370 -5.296 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.264 -2.817 -4.584 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.979 -4.731 -3.264 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.750 -3.649 -1.161 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.435 -2.455 -2.443 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.108 -2.919 -2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.466 -5.920 -1.708 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -10.878 -5.305 -2.599 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.732 -6.407 -3.399 1.00 0.00 H new ATOM 1368 N GLU A 88 -12.715 -2.529 -4.319 1.00 0.00 N ATOM 1369 CA GLU A 88 -13.358 -1.232 -4.355 1.00 0.00 C ATOM 1370 C GLU A 88 -12.474 -0.252 -3.600 1.00 0.00 C ATOM 1371 O GLU A 88 -12.503 -0.197 -2.370 1.00 0.00 O ATOM 1372 CB GLU A 88 -14.745 -1.299 -3.712 1.00 0.00 C ATOM 1373 CG GLU A 88 -15.534 -0.006 -3.835 1.00 0.00 C ATOM 1374 CD GLU A 88 -16.972 -0.239 -4.254 1.00 0.00 C ATOM 1375 OE1 GLU A 88 -17.525 -1.306 -3.914 1.00 0.00 O ATOM 1376 OE2 GLU A 88 -17.547 0.646 -4.923 1.00 0.00 O ATOM 0 H GLU A 88 -13.180 -3.228 -3.740 1.00 0.00 H new ATOM 0 HA GLU A 88 -13.489 -0.909 -5.388 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -15.312 -2.107 -4.174 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.636 -1.550 -2.657 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -15.518 0.517 -2.879 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -15.048 0.644 -4.563 1.00 0.00 H new ATOM 1383 N ILE A 89 -11.674 0.508 -4.337 1.00 0.00 N ATOM 1384 CA ILE A 89 -10.769 1.464 -3.719 1.00 0.00 C ATOM 1385 C ILE A 89 -10.833 2.817 -4.426 1.00 0.00 C ATOM 1386 O ILE A 89 -10.697 2.885 -5.647 1.00 0.00 O ATOM 1387 CB ILE A 89 -9.299 0.938 -3.709 1.00 0.00 C ATOM 1388 CG1 ILE A 89 -8.603 1.116 -5.072 1.00 0.00 C ATOM 1389 CG2 ILE A 89 -9.266 -0.525 -3.307 1.00 0.00 C ATOM 1390 CD1 ILE A 89 -8.901 0.008 -6.063 1.00 0.00 C ATOM 0 H ILE A 89 -11.634 0.481 -5.356 1.00 0.00 H new ATOM 0 HA ILE A 89 -11.094 1.591 -2.686 1.00 0.00 H new ATOM 0 HB ILE A 89 -8.753 1.535 -2.978 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -8.910 2.069 -5.504 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.526 1.169 -4.915 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.235 -0.878 -3.304 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.691 -0.638 -2.310 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -9.848 -1.111 -4.018 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.375 0.205 -6.997 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.568 -0.946 -5.653 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -9.974 -0.033 -6.252 1.00 0.00 H new ATOM 1402 N ALA A 90 -11.024 3.898 -3.670 1.00 0.00 N ATOM 1403 CA ALA A 90 -11.067 5.214 -4.285 1.00 0.00 C ATOM 1404 C ALA A 90 -9.712 5.884 -4.154 1.00 0.00 C ATOM 1405 O ALA A 90 -9.292 6.258 -3.058 1.00 0.00 O ATOM 1406 CB ALA A 90 -12.150 6.089 -3.663 1.00 0.00 C ATOM 0 H ALA A 90 -11.148 3.887 -2.658 1.00 0.00 H new ATOM 0 HA ALA A 90 -11.311 5.088 -5.340 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -12.152 7.065 -4.148 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -13.122 5.615 -3.797 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.951 6.213 -2.599 1.00 0.00 H new ATOM 1412 N TRP A 91 -9.033 6.034 -5.278 1.00 0.00 N ATOM 1413 CA TRP A 91 -7.722 6.664 -5.292 1.00 0.00 C ATOM 1414 C TRP A 91 -7.843 8.163 -5.529 1.00 0.00 C ATOM 1415 O TRP A 91 -8.585 8.609 -6.403 1.00 0.00 O ATOM 1416 CB TRP A 91 -6.824 6.032 -6.363 1.00 0.00 C ATOM 1417 CG TRP A 91 -7.515 5.790 -7.671 1.00 0.00 C ATOM 1418 CD1 TRP A 91 -8.041 6.731 -8.511 1.00 0.00 C ATOM 1419 CD2 TRP A 91 -7.751 4.521 -8.295 1.00 0.00 C ATOM 1420 NE1 TRP A 91 -8.592 6.125 -9.614 1.00 0.00 N ATOM 1421 CE2 TRP A 91 -8.426 4.769 -9.505 1.00 0.00 C ATOM 1422 CE3 TRP A 91 -7.457 3.199 -7.947 1.00 0.00 C ATOM 1423 CZ2 TRP A 91 -8.813 3.745 -10.367 1.00 0.00 C ATOM 1424 CZ3 TRP A 91 -7.840 2.184 -8.804 1.00 0.00 C ATOM 1425 CH2 TRP A 91 -8.511 2.462 -10.001 1.00 0.00 C ATOM 0 H TRP A 91 -9.366 5.729 -6.192 1.00 0.00 H new ATOM 0 HA TRP A 91 -7.265 6.503 -4.316 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -5.965 6.681 -6.532 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -6.438 5.085 -5.987 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -8.026 7.796 -8.334 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -9.050 6.606 -10.388 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -6.940 2.975 -7.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -9.332 3.956 -11.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -7.618 1.159 -8.546 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -8.796 1.646 -10.649 1.00 0.00 H new ATOM 1436 N GLN A 92 -7.110 8.937 -4.740 1.00 0.00 N ATOM 1437 CA GLN A 92 -7.134 10.388 -4.861 1.00 0.00 C ATOM 1438 C GLN A 92 -6.080 10.862 -5.860 1.00 0.00 C ATOM 1439 O GLN A 92 -5.072 10.189 -6.077 1.00 0.00 O ATOM 1440 CB GLN A 92 -6.892 11.040 -3.498 1.00 0.00 C ATOM 1441 CG GLN A 92 -7.991 10.759 -2.486 1.00 0.00 C ATOM 1442 CD GLN A 92 -7.743 11.435 -1.152 1.00 0.00 C ATOM 1443 OE1 GLN A 92 -6.786 12.194 -0.996 1.00 0.00 O ATOM 1444 NE2 GLN A 92 -8.605 11.161 -0.180 1.00 0.00 N ATOM 0 H GLN A 92 -6.492 8.584 -4.010 1.00 0.00 H new ATOM 0 HA GLN A 92 -8.118 10.684 -5.225 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -5.942 10.685 -3.098 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.799 12.118 -3.631 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -8.946 11.098 -2.889 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -8.073 9.683 -2.334 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -9.384 10.526 -0.353 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -8.488 11.586 0.740 1.00 0.00 H new ATOM 1453 N PRO A 93 -6.305 12.027 -6.490 1.00 0.00 N ATOM 1454 CA PRO A 93 -5.377 12.587 -7.478 1.00 0.00 C ATOM 1455 C PRO A 93 -3.931 12.582 -6.998 1.00 0.00 C ATOM 1456 O PRO A 93 -3.015 12.327 -7.782 1.00 0.00 O ATOM 1457 CB PRO A 93 -5.864 14.021 -7.645 1.00 0.00 C ATOM 1458 CG PRO A 93 -7.319 13.968 -7.328 1.00 0.00 C ATOM 1459 CD PRO A 93 -7.487 12.889 -6.293 1.00 0.00 C ATOM 0 HA PRO A 93 -5.374 12.004 -8.399 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.337 14.698 -6.973 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.693 14.381 -8.659 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.670 14.928 -6.949 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.903 13.745 -8.221 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.517 13.303 -5.285 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.415 12.336 -6.439 1.00 0.00 H new ATOM 1467 N ALA A 94 -3.737 12.877 -5.710 1.00 0.00 N ATOM 1468 CA ALA A 94 -2.405 12.922 -5.099 1.00 0.00 C ATOM 1469 C ALA A 94 -1.877 14.352 -5.048 1.00 0.00 C ATOM 1470 O ALA A 94 -0.793 14.645 -5.552 1.00 0.00 O ATOM 1471 CB ALA A 94 -1.412 12.024 -5.837 1.00 0.00 C ATOM 0 H ALA A 94 -4.496 13.091 -5.063 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.508 12.546 -4.081 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.437 12.085 -5.353 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.765 10.993 -5.812 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.325 12.352 -6.873 1.00 0.00 H new ATOM 1477 N GLU A 95 -2.653 15.242 -4.435 1.00 0.00 N ATOM 1478 CA GLU A 95 -2.264 16.642 -4.318 1.00 0.00 C ATOM 1479 C GLU A 95 -2.899 17.281 -3.088 1.00 0.00 C ATOM 1480 O GLU A 95 -4.118 17.243 -2.915 1.00 0.00 O ATOM 1481 CB GLU A 95 -2.669 17.413 -5.576 1.00 0.00 C ATOM 1482 CG GLU A 95 -1.657 18.467 -5.994 1.00 0.00 C ATOM 1483 CD GLU A 95 -2.304 19.794 -6.343 1.00 0.00 C ATOM 1484 OE1 GLU A 95 -2.746 19.953 -7.499 1.00 0.00 O ATOM 1485 OE2 GLU A 95 -2.369 20.672 -5.457 1.00 0.00 O ATOM 0 H GLU A 95 -3.554 15.018 -4.012 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.180 16.685 -4.209 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.807 16.708 -6.396 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.632 17.894 -5.404 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.941 18.618 -5.186 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.095 18.104 -6.854 1.00 0.00 H new ATOM 1492 N SER A 96 -2.066 17.870 -2.236 1.00 0.00 N ATOM 1493 CA SER A 96 -2.545 18.519 -1.022 1.00 0.00 C ATOM 1494 C SER A 96 -3.270 17.522 -0.122 1.00 0.00 C ATOM 1495 O SER A 96 -3.904 17.963 0.858 1.00 0.00 O ATOM 1496 CB SER A 96 -3.477 19.682 -1.374 1.00 0.00 C ATOM 1497 OG SER A 96 -2.989 20.903 -0.849 1.00 0.00 O ATOM 1498 OXT SER A 96 -3.196 16.308 -0.407 1.00 0.00 O ATOM 0 H SER A 96 -1.055 17.911 -2.365 1.00 0.00 H new ATOM 0 HA SER A 96 -1.682 18.907 -0.481 1.00 0.00 H new ATOM 0 HB2 SER A 96 -3.573 19.761 -2.457 1.00 0.00 H new ATOM 0 HB3 SER A 96 -4.474 19.485 -0.979 1.00 0.00 H new ATOM 0 HG SER A 96 -3.601 21.630 -1.089 1.00 0.00 H new TER 1504 SER A 96