USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 623 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 64 ASN : amide:sc= 0 X(o=-0.71,f=-0.71) USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= -0.713 USER MOD Set 2.1: A 50 MET CE :methyl 178:sc= -1.24 (180deg=-1.25) USER MOD Set 2.2: A 54 SER OG : rot -160:sc= 1.2 USER MOD Set 3.1: A 11 TYR OH : rot 120:sc= -1.22 USER MOD Set 3.2: A 41 LYS NZ :NH3+ 177:sc= 0.265 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -110:sc= 0.463 (180deg=-0.32) USER MOD Single : A 3 ASN : amide:sc= -0.371 X(o=-0.37,f=0) USER MOD Single : A 5 TYR OH : rot -45:sc= 0.873 USER MOD Single : A 8 ASN : amide:sc= -0.0875 K(o=-0.087,f=-1.9!) USER MOD Single : A 12 SER OG : rot 36:sc= 0.343 USER MOD Single : A 14 THR OG1 : rot 57:sc= -2.92! USER MOD Single : A 15 SER OG : rot -140:sc= -0.271 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 69:sc= 0.529 USER MOD Single : A 24 GLN : amide:sc= -0.333 X(o=-0.33,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.367 K(o=-0.37,f=-3.2!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.66 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 153:sc= -0.0675 (180deg=-0.465) USER MOD Single : A 51 GLN : amide:sc= -0.0885 X(o=-0.088,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 64:sc= -0.831 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.232 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.746 4.052 -15.174 1.00 0.00 N ATOM 2 CA MET A 1 2.432 3.545 -13.813 1.00 0.00 C ATOM 3 C MET A 1 3.529 3.915 -12.820 1.00 0.00 C ATOM 4 O MET A 1 4.708 3.650 -13.055 1.00 0.00 O ATOM 5 CB MET A 1 2.275 2.025 -13.884 1.00 0.00 C ATOM 6 CG MET A 1 3.416 1.330 -14.608 1.00 0.00 C ATOM 7 SD MET A 1 3.019 0.947 -16.325 1.00 0.00 S ATOM 8 CE MET A 1 3.086 -0.843 -16.298 1.00 0.00 C ATOM 0 H1 MET A 1 2.094 4.826 -15.415 1.00 0.00 H new ATOM 0 H2 MET A 1 3.724 4.404 -15.196 1.00 0.00 H new ATOM 0 H3 MET A 1 2.639 3.282 -15.865 1.00 0.00 H new ATOM 0 HA MET A 1 1.506 4.003 -13.465 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.202 1.628 -12.872 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.338 1.788 -14.388 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.301 1.965 -14.577 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.666 0.408 -14.083 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.862 -1.231 -17.292 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.084 -1.165 -15.999 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.353 -1.224 -15.586 1.00 0.00 H new ATOM 20 N ARG A 2 3.133 4.529 -11.710 1.00 0.00 N ATOM 21 CA ARG A 2 4.084 4.936 -10.681 1.00 0.00 C ATOM 22 C ARG A 2 4.114 3.926 -9.538 1.00 0.00 C ATOM 23 O ARG A 2 3.191 3.128 -9.376 1.00 0.00 O ATOM 24 CB ARG A 2 3.722 6.321 -10.142 1.00 0.00 C ATOM 25 CG ARG A 2 3.836 7.427 -11.179 1.00 0.00 C ATOM 26 CD ARG A 2 5.282 7.666 -11.586 1.00 0.00 C ATOM 27 NE ARG A 2 5.645 9.080 -11.508 1.00 0.00 N ATOM 28 CZ ARG A 2 5.953 9.704 -10.374 1.00 0.00 C ATOM 29 NH1 ARG A 2 5.941 9.045 -9.221 1.00 0.00 N ATOM 30 NH2 ARG A 2 6.276 10.990 -10.392 1.00 0.00 N ATOM 0 H ARG A 2 2.161 4.756 -11.500 1.00 0.00 H new ATOM 0 HA ARG A 2 5.075 4.977 -11.133 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.702 6.297 -9.759 1.00 0.00 H new ATOM 0 HB3 ARG A 2 4.373 6.555 -9.300 1.00 0.00 H new ATOM 0 HG2 ARG A 2 3.249 7.164 -12.059 1.00 0.00 H new ATOM 0 HG3 ARG A 2 3.413 8.348 -10.777 1.00 0.00 H new ATOM 0 HD2 ARG A 2 5.941 7.086 -10.940 1.00 0.00 H new ATOM 0 HD3 ARG A 2 5.436 7.307 -12.604 1.00 0.00 H new ATOM 0 HE ARG A 2 5.663 9.620 -12.373 1.00 0.00 H new ATOM 0 HH11 ARG A 2 5.695 8.055 -9.202 1.00 0.00 H new ATOM 0 HH12 ARG A 2 6.178 9.529 -8.355 1.00 0.00 H new ATOM 0 HH21 ARG A 2 6.288 11.500 -11.275 1.00 0.00 H new ATOM 0 HH22 ARG A 2 6.512 11.469 -9.523 1.00 0.00 H new ATOM 44 N ASN A 3 5.182 3.966 -8.748 1.00 0.00 N ATOM 45 CA ASN A 3 5.333 3.054 -7.619 1.00 0.00 C ATOM 46 C ASN A 3 4.979 3.749 -6.308 1.00 0.00 C ATOM 47 O ASN A 3 5.772 4.518 -5.767 1.00 0.00 O ATOM 48 CB ASN A 3 6.766 2.522 -7.556 1.00 0.00 C ATOM 49 CG ASN A 3 7.056 1.512 -8.649 1.00 0.00 C ATOM 50 OD1 ASN A 3 7.270 0.330 -8.378 1.00 0.00 O ATOM 51 ND2 ASN A 3 7.064 1.973 -9.895 1.00 0.00 N ATOM 0 H ASN A 3 5.956 4.620 -8.868 1.00 0.00 H new ATOM 0 HA ASN A 3 4.648 2.219 -7.764 1.00 0.00 H new ATOM 0 HB2 ASN A 3 7.464 3.355 -7.640 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.937 2.060 -6.584 1.00 0.00 H new ATOM 0 HD21 ASN A 3 7.253 1.340 -10.672 1.00 0.00 H new ATOM 0 HD22 ASN A 3 6.881 2.960 -10.075 1.00 0.00 H new ATOM 58 N ILE A 4 3.782 3.470 -5.802 1.00 0.00 N ATOM 59 CA ILE A 4 3.323 4.068 -4.554 1.00 0.00 C ATOM 60 C ILE A 4 4.056 3.471 -3.357 1.00 0.00 C ATOM 61 O ILE A 4 4.320 2.271 -3.314 1.00 0.00 O ATOM 62 CB ILE A 4 1.806 3.873 -4.362 1.00 0.00 C ATOM 63 CG1 ILE A 4 1.053 4.292 -5.626 1.00 0.00 C ATOM 64 CG2 ILE A 4 1.318 4.666 -3.159 1.00 0.00 C ATOM 65 CD1 ILE A 4 -0.447 4.121 -5.519 1.00 0.00 C ATOM 0 H ILE A 4 3.113 2.834 -6.237 1.00 0.00 H new ATOM 0 HA ILE A 4 3.540 5.134 -4.615 1.00 0.00 H new ATOM 0 HB ILE A 4 1.610 2.817 -4.179 1.00 0.00 H new ATOM 0 HG12 ILE A 4 1.277 5.336 -5.844 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.419 3.705 -6.469 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.245 4.518 -3.037 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.836 4.324 -2.263 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.523 5.725 -3.314 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -0.917 4.437 -6.450 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.681 3.073 -5.332 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -0.825 4.729 -4.697 1.00 0.00 H new ATOM 77 N TYR A 5 4.379 4.321 -2.387 1.00 0.00 N ATOM 78 CA TYR A 5 5.081 3.879 -1.187 1.00 0.00 C ATOM 79 C TYR A 5 4.179 3.986 0.039 1.00 0.00 C ATOM 80 O TYR A 5 3.448 4.962 0.198 1.00 0.00 O ATOM 81 CB TYR A 5 6.348 4.712 -0.977 1.00 0.00 C ATOM 82 CG TYR A 5 7.193 4.248 0.188 1.00 0.00 C ATOM 83 CD1 TYR A 5 8.064 3.174 0.054 1.00 0.00 C ATOM 84 CD2 TYR A 5 7.120 4.884 1.421 1.00 0.00 C ATOM 85 CE1 TYR A 5 8.838 2.748 1.116 1.00 0.00 C ATOM 86 CE2 TYR A 5 7.892 4.463 2.488 1.00 0.00 C ATOM 87 CZ TYR A 5 8.749 3.395 2.330 1.00 0.00 C ATOM 88 OH TYR A 5 9.518 2.973 3.390 1.00 0.00 O ATOM 0 H TYR A 5 4.166 5.318 -2.408 1.00 0.00 H new ATOM 0 HA TYR A 5 5.360 2.834 -1.322 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.949 4.679 -1.886 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.066 5.753 -0.818 1.00 0.00 H new ATOM 0 HD1 TYR A 5 8.137 2.664 -0.895 1.00 0.00 H new ATOM 0 HD2 TYR A 5 6.449 5.721 1.548 1.00 0.00 H new ATOM 0 HE1 TYR A 5 9.510 1.911 0.996 1.00 0.00 H new ATOM 0 HE2 TYR A 5 7.824 4.968 3.440 1.00 0.00 H new ATOM 0 HH TYR A 5 9.482 1.996 3.451 1.00 0.00 H new ATOM 98 N VAL A 6 4.234 2.976 0.901 1.00 0.00 N ATOM 99 CA VAL A 6 3.417 2.961 2.109 1.00 0.00 C ATOM 100 C VAL A 6 4.131 2.244 3.252 1.00 0.00 C ATOM 101 O VAL A 6 4.609 1.121 3.091 1.00 0.00 O ATOM 102 CB VAL A 6 2.055 2.281 1.858 1.00 0.00 C ATOM 103 CG1 VAL A 6 2.246 0.830 1.443 1.00 0.00 C ATOM 104 CG2 VAL A 6 1.171 2.380 3.093 1.00 0.00 C ATOM 0 H VAL A 6 4.834 2.159 0.786 1.00 0.00 H new ATOM 0 HA VAL A 6 3.249 4.001 2.389 1.00 0.00 H new ATOM 0 HB VAL A 6 1.557 2.803 1.041 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.273 0.370 1.271 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.834 0.788 0.526 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.768 0.291 2.234 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.215 1.895 2.896 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.662 1.887 3.932 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.002 3.429 3.336 1.00 0.00 H new ATOM 114 N GLY A 7 4.193 2.900 4.405 1.00 0.00 N ATOM 115 CA GLY A 7 4.843 2.310 5.561 1.00 0.00 C ATOM 116 C GLY A 7 3.847 1.798 6.583 1.00 0.00 C ATOM 117 O GLY A 7 2.639 1.834 6.352 1.00 0.00 O ATOM 0 H GLY A 7 3.805 3.830 4.560 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.481 1.488 5.236 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.491 3.051 6.028 1.00 0.00 H new ATOM 121 N ASN A 8 4.353 1.319 7.715 1.00 0.00 N ATOM 122 CA ASN A 8 3.494 0.797 8.772 1.00 0.00 C ATOM 123 C ASN A 8 2.635 -0.353 8.254 1.00 0.00 C ATOM 124 O ASN A 8 1.468 -0.485 8.624 1.00 0.00 O ATOM 125 CB ASN A 8 2.600 1.909 9.325 1.00 0.00 C ATOM 126 CG ASN A 8 2.283 1.719 10.796 1.00 0.00 C ATOM 127 OD1 ASN A 8 2.664 0.717 11.401 1.00 0.00 O ATOM 128 ND2 ASN A 8 1.580 2.683 11.379 1.00 0.00 N ATOM 0 H ASN A 8 5.351 1.281 7.924 1.00 0.00 H new ATOM 0 HA ASN A 8 4.130 0.420 9.573 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.092 2.871 9.184 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.670 1.940 8.757 1.00 0.00 H new ATOM 0 HD21 ASN A 8 1.335 2.610 12.367 1.00 0.00 H new ATOM 0 HD22 ASN A 8 1.285 3.497 10.839 1.00 0.00 H new ATOM 135 N LEU A 9 3.220 -1.179 7.393 1.00 0.00 N ATOM 136 CA LEU A 9 2.509 -2.315 6.818 1.00 0.00 C ATOM 137 C LEU A 9 2.635 -3.547 7.708 1.00 0.00 C ATOM 138 O LEU A 9 3.539 -3.638 8.538 1.00 0.00 O ATOM 139 CB LEU A 9 3.048 -2.620 5.419 1.00 0.00 C ATOM 140 CG LEU A 9 2.325 -1.908 4.273 1.00 0.00 C ATOM 141 CD1 LEU A 9 0.965 -2.542 4.023 1.00 0.00 C ATOM 142 CD2 LEU A 9 2.177 -0.424 4.572 1.00 0.00 C ATOM 0 H LEU A 9 4.185 -1.083 7.078 1.00 0.00 H new ATOM 0 HA LEU A 9 1.453 -2.054 6.745 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.103 -2.348 5.386 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.990 -3.695 5.251 1.00 0.00 H new ATOM 0 HG LEU A 9 2.925 -2.016 3.370 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.466 -2.022 3.205 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.096 -3.592 3.760 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.357 -2.467 4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.661 0.064 3.745 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.601 -0.293 5.488 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.164 0.022 4.697 1.00 0.00 H new ATOM 154 N VAL A 10 1.718 -4.493 7.528 1.00 0.00 N ATOM 155 CA VAL A 10 1.721 -5.721 8.311 1.00 0.00 C ATOM 156 C VAL A 10 1.043 -6.858 7.541 1.00 0.00 C ATOM 157 O VAL A 10 0.795 -6.739 6.341 1.00 0.00 O ATOM 158 CB VAL A 10 1.027 -5.509 9.680 1.00 0.00 C ATOM 159 CG1 VAL A 10 -0.468 -5.796 9.602 1.00 0.00 C ATOM 160 CG2 VAL A 10 1.689 -6.360 10.756 1.00 0.00 C ATOM 0 H VAL A 10 0.963 -4.431 6.845 1.00 0.00 H new ATOM 0 HA VAL A 10 2.759 -5.997 8.493 1.00 0.00 H new ATOM 0 HB VAL A 10 1.144 -4.460 9.951 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.921 -5.637 10.581 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.929 -5.127 8.876 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.624 -6.830 9.294 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.187 -6.196 11.709 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.616 -7.413 10.483 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.739 -6.081 10.846 1.00 0.00 H new ATOM 170 N TYR A 11 0.747 -7.956 8.231 1.00 0.00 N ATOM 171 CA TYR A 11 0.099 -9.106 7.604 1.00 0.00 C ATOM 172 C TYR A 11 -1.127 -8.676 6.802 1.00 0.00 C ATOM 173 O TYR A 11 -1.319 -9.105 5.665 1.00 0.00 O ATOM 174 CB TYR A 11 -0.307 -10.130 8.665 1.00 0.00 C ATOM 175 CG TYR A 11 0.847 -10.620 9.510 1.00 0.00 C ATOM 176 CD1 TYR A 11 1.588 -11.732 9.130 1.00 0.00 C ATOM 177 CD2 TYR A 11 1.194 -9.973 10.690 1.00 0.00 C ATOM 178 CE1 TYR A 11 2.642 -12.185 9.901 1.00 0.00 C ATOM 179 CE2 TYR A 11 2.247 -10.419 11.466 1.00 0.00 C ATOM 180 CZ TYR A 11 2.968 -11.525 11.067 1.00 0.00 C ATOM 181 OH TYR A 11 4.017 -11.972 11.837 1.00 0.00 O ATOM 0 H TYR A 11 0.945 -8.074 9.225 1.00 0.00 H new ATOM 0 HA TYR A 11 0.814 -9.563 6.920 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -1.060 -9.686 9.316 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.774 -10.984 8.174 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.336 -12.251 8.217 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.631 -9.107 11.006 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.207 -13.052 9.592 1.00 0.00 H new ATOM 0 HE2 TYR A 11 2.504 -9.904 12.380 1.00 0.00 H new ATOM 0 HH TYR A 11 4.691 -11.265 11.914 1.00 0.00 H new ATOM 191 N SER A 12 -1.952 -7.826 7.405 1.00 0.00 N ATOM 192 CA SER A 12 -3.158 -7.335 6.749 1.00 0.00 C ATOM 193 C SER A 12 -3.608 -6.012 7.363 1.00 0.00 C ATOM 194 O SER A 12 -4.731 -5.890 7.850 1.00 0.00 O ATOM 195 CB SER A 12 -4.278 -8.372 6.855 1.00 0.00 C ATOM 196 OG SER A 12 -4.286 -9.232 5.729 1.00 0.00 O ATOM 0 H SER A 12 -1.807 -7.463 8.347 1.00 0.00 H new ATOM 0 HA SER A 12 -2.930 -7.166 5.697 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.149 -8.959 7.764 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.240 -7.866 6.937 1.00 0.00 H new ATOM 0 HG SER A 12 -3.365 -9.398 5.437 1.00 0.00 H new ATOM 202 N ALA A 13 -2.718 -5.024 7.336 1.00 0.00 N ATOM 203 CA ALA A 13 -3.019 -3.709 7.890 1.00 0.00 C ATOM 204 C ALA A 13 -4.183 -3.054 7.157 1.00 0.00 C ATOM 205 O ALA A 13 -5.148 -2.609 7.778 1.00 0.00 O ATOM 206 CB ALA A 13 -1.787 -2.820 7.828 1.00 0.00 C ATOM 0 H ALA A 13 -1.783 -5.110 6.937 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.311 -3.839 8.932 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.024 -1.841 8.244 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.981 -3.274 8.404 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.472 -2.707 6.791 1.00 0.00 H new ATOM 212 N THR A 14 -4.087 -2.995 5.832 1.00 0.00 N ATOM 213 CA THR A 14 -5.135 -2.392 5.017 1.00 0.00 C ATOM 214 C THR A 14 -4.808 -2.505 3.529 1.00 0.00 C ATOM 215 O THR A 14 -5.701 -2.698 2.704 1.00 0.00 O ATOM 216 CB THR A 14 -5.330 -0.920 5.399 1.00 0.00 C ATOM 217 OG1 THR A 14 -4.285 -0.476 6.245 1.00 0.00 O ATOM 218 CG2 THR A 14 -6.640 -0.657 6.110 1.00 0.00 C ATOM 0 H THR A 14 -3.295 -3.357 5.301 1.00 0.00 H new ATOM 0 HA THR A 14 -6.061 -2.935 5.208 1.00 0.00 H new ATOM 0 HB THR A 14 -5.330 -0.375 4.455 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.423 -0.616 5.801 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.716 0.403 6.353 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.469 -0.941 5.462 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.680 -1.243 7.028 1.00 0.00 H new ATOM 226 N SER A 15 -3.528 -2.378 3.193 1.00 0.00 N ATOM 227 CA SER A 15 -3.091 -2.464 1.801 1.00 0.00 C ATOM 228 C SER A 15 -3.628 -3.723 1.131 1.00 0.00 C ATOM 229 O SER A 15 -4.237 -3.656 0.063 1.00 0.00 O ATOM 230 CB SER A 15 -1.564 -2.440 1.721 1.00 0.00 C ATOM 231 OG SER A 15 -1.077 -1.110 1.653 1.00 0.00 O ATOM 0 H SER A 15 -2.776 -2.216 3.863 1.00 0.00 H new ATOM 0 HA SER A 15 -3.490 -1.599 1.271 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.143 -2.940 2.593 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.234 -2.997 0.844 1.00 0.00 H new ATOM 0 HG SER A 15 -0.331 -1.067 1.019 1.00 0.00 H new ATOM 237 N GLU A 16 -3.408 -4.867 1.765 1.00 0.00 N ATOM 238 CA GLU A 16 -3.881 -6.137 1.227 1.00 0.00 C ATOM 239 C GLU A 16 -5.407 -6.196 1.239 1.00 0.00 C ATOM 240 O GLU A 16 -6.010 -7.049 0.588 1.00 0.00 O ATOM 241 CB GLU A 16 -3.308 -7.304 2.035 1.00 0.00 C ATOM 242 CG GLU A 16 -3.285 -8.619 1.272 1.00 0.00 C ATOM 243 CD GLU A 16 -1.923 -8.925 0.680 1.00 0.00 C ATOM 244 OE1 GLU A 16 -1.550 -8.276 -0.320 1.00 0.00 O ATOM 245 OE2 GLU A 16 -1.229 -9.815 1.217 1.00 0.00 O ATOM 0 H GLU A 16 -2.907 -4.943 2.650 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.538 -6.217 0.195 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.293 -7.056 2.346 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.898 -7.431 2.943 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.576 -9.428 1.941 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.025 -8.584 0.473 1.00 0.00 H new ATOM 252 N GLN A 17 -6.027 -5.283 1.983 1.00 0.00 N ATOM 253 CA GLN A 17 -7.481 -5.231 2.079 1.00 0.00 C ATOM 254 C GLN A 17 -8.070 -4.319 1.006 1.00 0.00 C ATOM 255 O GLN A 17 -9.145 -4.588 0.471 1.00 0.00 O ATOM 256 CB GLN A 17 -7.901 -4.744 3.467 1.00 0.00 C ATOM 257 CG GLN A 17 -9.407 -4.701 3.667 1.00 0.00 C ATOM 258 CD GLN A 17 -9.806 -4.837 5.123 1.00 0.00 C ATOM 259 OE1 GLN A 17 -9.087 -4.392 6.019 1.00 0.00 O ATOM 260 NE2 GLN A 17 -10.955 -5.456 5.366 1.00 0.00 N ATOM 0 H GLN A 17 -5.543 -4.569 2.528 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.866 -6.238 1.920 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.461 -5.397 4.221 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.492 -3.747 3.632 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.795 -3.761 3.274 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.869 -5.503 3.091 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.518 -5.808 4.592 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.275 -5.579 6.327 1.00 0.00 H new ATOM 269 N VAL A 18 -7.363 -3.234 0.705 1.00 0.00 N ATOM 270 CA VAL A 18 -7.820 -2.275 -0.294 1.00 0.00 C ATOM 271 C VAL A 18 -7.390 -2.681 -1.702 1.00 0.00 C ATOM 272 O VAL A 18 -8.020 -2.291 -2.686 1.00 0.00 O ATOM 273 CB VAL A 18 -7.293 -0.857 0.009 1.00 0.00 C ATOM 274 CG1 VAL A 18 -5.772 -0.832 -0.016 1.00 0.00 C ATOM 275 CG2 VAL A 18 -7.869 0.151 -0.976 1.00 0.00 C ATOM 0 H VAL A 18 -6.471 -2.997 1.139 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.909 -2.270 -0.247 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.619 -0.577 1.011 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.421 0.177 0.200 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.384 -1.520 0.736 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.419 -1.135 -1.002 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.485 1.145 -0.746 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.578 -0.124 -1.990 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -8.956 0.155 -0.899 1.00 0.00 H new ATOM 285 N LYS A 19 -6.315 -3.459 -1.797 1.00 0.00 N ATOM 286 CA LYS A 19 -5.811 -3.907 -3.093 1.00 0.00 C ATOM 287 C LYS A 19 -6.913 -4.574 -3.909 1.00 0.00 C ATOM 288 O LYS A 19 -6.925 -4.496 -5.138 1.00 0.00 O ATOM 289 CB LYS A 19 -4.638 -4.872 -2.906 1.00 0.00 C ATOM 290 CG LYS A 19 -5.033 -6.198 -2.277 1.00 0.00 C ATOM 291 CD LYS A 19 -3.923 -7.229 -2.409 1.00 0.00 C ATOM 292 CE LYS A 19 -4.483 -8.632 -2.582 1.00 0.00 C ATOM 293 NZ LYS A 19 -4.393 -9.097 -3.994 1.00 0.00 N ATOM 0 H LYS A 19 -5.778 -3.791 -0.996 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.464 -3.030 -3.639 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.178 -5.063 -3.875 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.882 -4.395 -2.282 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.267 -6.047 -1.223 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.938 -6.573 -2.754 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.293 -6.980 -3.263 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.288 -7.196 -1.524 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.938 -9.322 -1.937 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.524 -8.649 -2.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.785 -10.057 -4.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.934 -8.453 -4.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.397 -9.105 -4.294 1.00 0.00 H new ATOM 307 N GLU A 20 -7.841 -5.229 -3.218 1.00 0.00 N ATOM 308 CA GLU A 20 -8.950 -5.907 -3.879 1.00 0.00 C ATOM 309 C GLU A 20 -9.831 -4.903 -4.617 1.00 0.00 C ATOM 310 O GLU A 20 -10.306 -5.171 -5.720 1.00 0.00 O ATOM 311 CB GLU A 20 -9.782 -6.686 -2.857 1.00 0.00 C ATOM 312 CG GLU A 20 -9.867 -8.176 -3.151 1.00 0.00 C ATOM 313 CD GLU A 20 -11.294 -8.654 -3.336 1.00 0.00 C ATOM 314 OE1 GLU A 20 -12.149 -7.835 -3.733 1.00 0.00 O ATOM 315 OE2 GLU A 20 -11.557 -9.849 -3.084 1.00 0.00 O ATOM 0 H GLU A 20 -7.847 -5.304 -2.201 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.539 -6.607 -4.606 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.351 -6.544 -1.866 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.790 -6.271 -2.829 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.294 -8.398 -4.051 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.405 -8.731 -2.334 1.00 0.00 H new ATOM 322 N LEU A 21 -10.040 -3.745 -3.998 1.00 0.00 N ATOM 323 CA LEU A 21 -10.859 -2.696 -4.594 1.00 0.00 C ATOM 324 C LEU A 21 -10.040 -1.865 -5.576 1.00 0.00 C ATOM 325 O LEU A 21 -10.567 -1.351 -6.563 1.00 0.00 O ATOM 326 CB LEU A 21 -11.440 -1.794 -3.503 1.00 0.00 C ATOM 327 CG LEU A 21 -12.630 -0.937 -3.938 1.00 0.00 C ATOM 328 CD1 LEU A 21 -13.614 -0.770 -2.790 1.00 0.00 C ATOM 329 CD2 LEU A 21 -12.156 0.420 -4.435 1.00 0.00 C ATOM 0 H LEU A 21 -9.653 -3.510 -3.084 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.677 -3.168 -5.138 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.748 -2.417 -2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.651 -1.136 -3.139 1.00 0.00 H new ATOM 0 HG LEU A 21 -13.139 -1.445 -4.757 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -14.454 -0.158 -3.117 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.978 -1.749 -2.478 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -13.116 -0.284 -1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -13.016 1.016 -4.740 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -11.623 0.934 -3.635 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.489 0.283 -5.286 1.00 0.00 H new ATOM 341 N PHE A 22 -8.746 -1.737 -5.296 1.00 0.00 N ATOM 342 CA PHE A 22 -7.851 -0.969 -6.151 1.00 0.00 C ATOM 343 C PHE A 22 -7.795 -1.564 -7.556 1.00 0.00 C ATOM 344 O PHE A 22 -7.556 -0.854 -8.531 1.00 0.00 O ATOM 345 CB PHE A 22 -6.446 -0.927 -5.543 1.00 0.00 C ATOM 346 CG PHE A 22 -6.099 0.398 -4.925 1.00 0.00 C ATOM 347 CD1 PHE A 22 -7.012 1.061 -4.120 1.00 0.00 C ATOM 348 CD2 PHE A 22 -4.862 0.979 -5.148 1.00 0.00 C ATOM 349 CE1 PHE A 22 -6.696 2.280 -3.550 1.00 0.00 C ATOM 350 CE2 PHE A 22 -4.540 2.197 -4.580 1.00 0.00 C ATOM 351 CZ PHE A 22 -5.458 2.848 -3.780 1.00 0.00 C ATOM 0 H PHE A 22 -8.295 -2.156 -4.483 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.239 0.047 -6.224 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -6.364 -1.705 -4.784 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.716 -1.159 -6.319 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.981 0.620 -3.936 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.140 0.474 -5.773 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.416 2.788 -2.926 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.572 2.639 -4.762 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.209 3.800 -3.335 1.00 0.00 H new ATOM 361 N SER A 23 -8.018 -2.872 -7.651 1.00 0.00 N ATOM 362 CA SER A 23 -7.994 -3.561 -8.935 1.00 0.00 C ATOM 363 C SER A 23 -9.349 -3.471 -9.632 1.00 0.00 C ATOM 364 O SER A 23 -9.432 -3.531 -10.859 1.00 0.00 O ATOM 365 CB SER A 23 -7.605 -5.028 -8.743 1.00 0.00 C ATOM 366 OG SER A 23 -6.865 -5.207 -7.548 1.00 0.00 O ATOM 0 H SER A 23 -8.217 -3.475 -6.853 1.00 0.00 H new ATOM 0 HA SER A 23 -7.250 -3.072 -9.564 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.503 -5.645 -8.714 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.014 -5.365 -9.594 1.00 0.00 H new ATOM 0 HG SER A 23 -7.449 -5.056 -6.776 1.00 0.00 H new ATOM 372 N GLN A 24 -10.409 -3.330 -8.843 1.00 0.00 N ATOM 373 CA GLN A 24 -11.759 -3.234 -9.387 1.00 0.00 C ATOM 374 C GLN A 24 -12.095 -1.797 -9.775 1.00 0.00 C ATOM 375 O GLN A 24 -12.941 -1.560 -10.637 1.00 0.00 O ATOM 376 CB GLN A 24 -12.778 -3.751 -8.369 1.00 0.00 C ATOM 377 CG GLN A 24 -12.625 -5.230 -8.052 1.00 0.00 C ATOM 378 CD GLN A 24 -13.661 -5.723 -7.062 1.00 0.00 C ATOM 379 OE1 GLN A 24 -14.617 -6.404 -7.433 1.00 0.00 O ATOM 380 NE2 GLN A 24 -13.476 -5.381 -5.793 1.00 0.00 N ATOM 0 H GLN A 24 -10.360 -3.280 -7.825 1.00 0.00 H new ATOM 0 HA GLN A 24 -11.804 -3.850 -10.285 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -12.680 -3.178 -7.447 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -13.783 -3.572 -8.751 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -12.706 -5.806 -8.974 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -11.628 -5.411 -7.650 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -12.669 -4.815 -5.530 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -14.141 -5.684 -5.081 1.00 0.00 H new ATOM 389 N PHE A 25 -11.433 -0.840 -9.131 1.00 0.00 N ATOM 390 CA PHE A 25 -11.670 0.572 -9.410 1.00 0.00 C ATOM 391 C PHE A 25 -10.461 1.211 -10.089 1.00 0.00 C ATOM 392 O PHE A 25 -10.601 2.157 -10.862 1.00 0.00 O ATOM 393 CB PHE A 25 -11.995 1.319 -8.116 1.00 0.00 C ATOM 394 CG PHE A 25 -12.617 2.668 -8.339 1.00 0.00 C ATOM 395 CD1 PHE A 25 -13.747 2.802 -9.132 1.00 0.00 C ATOM 396 CD2 PHE A 25 -12.073 3.801 -7.758 1.00 0.00 C ATOM 397 CE1 PHE A 25 -14.321 4.041 -9.339 1.00 0.00 C ATOM 398 CE2 PHE A 25 -12.643 5.044 -7.962 1.00 0.00 C ATOM 399 CZ PHE A 25 -13.769 5.163 -8.754 1.00 0.00 C ATOM 0 H PHE A 25 -10.730 -1.017 -8.414 1.00 0.00 H new ATOM 0 HA PHE A 25 -12.520 0.642 -10.089 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -12.672 0.711 -7.516 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -11.079 1.442 -7.538 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -14.183 1.928 -9.593 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -11.193 3.713 -7.138 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -15.201 4.132 -9.958 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -12.209 5.920 -7.503 1.00 0.00 H new ATOM 0 HZ PHE A 25 -14.217 6.133 -8.915 1.00 0.00 H new ATOM 409 N GLY A 26 -9.274 0.691 -9.791 1.00 0.00 N ATOM 410 CA GLY A 26 -8.061 1.231 -10.380 1.00 0.00 C ATOM 411 C GLY A 26 -7.371 0.250 -11.308 1.00 0.00 C ATOM 412 O GLY A 26 -6.630 0.652 -12.205 1.00 0.00 O ATOM 0 H GLY A 26 -9.130 -0.093 -9.154 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.304 2.138 -10.933 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.373 1.517 -9.585 1.00 0.00 H new ATOM 416 N LYS A 27 -7.610 -1.040 -11.092 1.00 0.00 N ATOM 417 CA LYS A 27 -7.001 -2.078 -11.917 1.00 0.00 C ATOM 418 C LYS A 27 -5.482 -2.073 -11.760 1.00 0.00 C ATOM 419 O LYS A 27 -4.745 -2.127 -12.745 1.00 0.00 O ATOM 420 CB LYS A 27 -7.382 -1.883 -13.387 1.00 0.00 C ATOM 421 CG LYS A 27 -7.835 -3.162 -14.073 1.00 0.00 C ATOM 422 CD LYS A 27 -7.339 -3.233 -15.509 1.00 0.00 C ATOM 423 CE LYS A 27 -6.149 -4.170 -15.644 1.00 0.00 C ATOM 424 NZ LYS A 27 -6.242 -5.012 -16.869 1.00 0.00 N ATOM 0 H LYS A 27 -8.220 -1.391 -10.354 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.378 -3.044 -11.582 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.180 -1.144 -13.452 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.526 -1.476 -13.925 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.466 -4.024 -13.517 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.924 -3.216 -14.060 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.146 -3.574 -16.157 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.058 -2.236 -15.847 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.229 -3.586 -15.673 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.091 -4.812 -14.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.412 -5.637 -16.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.107 -5.588 -16.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.272 -4.400 -17.709 1.00 0.00 H new ATOM 438 N VAL A 28 -5.022 -2.006 -10.514 1.00 0.00 N ATOM 439 CA VAL A 28 -3.593 -1.993 -10.221 1.00 0.00 C ATOM 440 C VAL A 28 -2.876 -3.155 -10.905 1.00 0.00 C ATOM 441 O VAL A 28 -3.444 -4.233 -11.077 1.00 0.00 O ATOM 442 CB VAL A 28 -3.335 -2.061 -8.701 1.00 0.00 C ATOM 443 CG1 VAL A 28 -3.903 -3.345 -8.115 1.00 0.00 C ATOM 444 CG2 VAL A 28 -1.848 -1.940 -8.402 1.00 0.00 C ATOM 0 H VAL A 28 -5.620 -1.960 -9.689 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.197 -1.054 -10.609 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.845 -1.220 -8.230 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.710 -3.372 -7.043 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.978 -3.381 -8.291 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.429 -4.203 -8.591 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.688 -1.990 -7.325 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.312 -2.756 -8.887 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.477 -0.987 -8.780 1.00 0.00 H new ATOM 454 N PHE A 29 -1.625 -2.924 -11.292 1.00 0.00 N ATOM 455 CA PHE A 29 -0.829 -3.949 -11.957 1.00 0.00 C ATOM 456 C PHE A 29 -0.381 -5.019 -10.966 1.00 0.00 C ATOM 457 O PHE A 29 -0.550 -6.214 -11.209 1.00 0.00 O ATOM 458 CB PHE A 29 0.389 -3.318 -12.633 1.00 0.00 C ATOM 459 CG PHE A 29 0.034 -2.339 -13.715 1.00 0.00 C ATOM 460 CD1 PHE A 29 -0.210 -2.774 -15.008 1.00 0.00 C ATOM 461 CD2 PHE A 29 -0.057 -0.984 -13.439 1.00 0.00 C ATOM 462 CE1 PHE A 29 -0.538 -1.875 -16.006 1.00 0.00 C ATOM 463 CE2 PHE A 29 -0.384 -0.080 -14.432 1.00 0.00 C ATOM 464 CZ PHE A 29 -0.625 -0.527 -15.717 1.00 0.00 C ATOM 0 H PHE A 29 -1.141 -2.036 -11.156 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.452 -4.423 -12.716 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.991 -2.811 -11.879 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.009 -4.108 -13.058 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.143 -3.827 -15.239 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.130 -0.630 -12.436 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.726 -2.226 -17.010 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.451 0.974 -14.204 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.881 0.177 -16.495 1.00 0.00 H new ATOM 474 N ASN A 30 0.194 -4.584 -9.849 1.00 0.00 N ATOM 475 CA ASN A 30 0.668 -5.508 -8.824 1.00 0.00 C ATOM 476 C ASN A 30 0.697 -4.836 -7.454 1.00 0.00 C ATOM 477 O ASN A 30 0.750 -3.610 -7.353 1.00 0.00 O ATOM 478 CB ASN A 30 2.061 -6.028 -9.182 1.00 0.00 C ATOM 479 CG ASN A 30 2.021 -7.419 -9.786 1.00 0.00 C ATOM 480 OD1 ASN A 30 0.985 -8.083 -9.774 1.00 0.00 O ATOM 481 ND2 ASN A 30 3.152 -7.866 -10.317 1.00 0.00 N ATOM 0 H ASN A 30 0.343 -3.599 -9.631 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.025 -6.348 -8.779 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.532 -5.342 -9.886 1.00 0.00 H new ATOM 0 HB3 ASN A 30 2.682 -6.041 -8.286 1.00 0.00 H new ATOM 0 HD21 ASN A 30 3.186 -8.795 -10.737 1.00 0.00 H new ATOM 0 HD22 ASN A 30 3.987 -7.281 -10.305 1.00 0.00 H new ATOM 488 N VAL A 31 0.663 -5.649 -6.404 1.00 0.00 N ATOM 489 CA VAL A 31 0.688 -5.138 -5.038 1.00 0.00 C ATOM 490 C VAL A 31 1.297 -6.159 -4.081 1.00 0.00 C ATOM 491 O VAL A 31 0.835 -7.297 -3.996 1.00 0.00 O ATOM 492 CB VAL A 31 -0.727 -4.775 -4.548 1.00 0.00 C ATOM 493 CG1 VAL A 31 -0.665 -4.082 -3.196 1.00 0.00 C ATOM 494 CG2 VAL A 31 -1.439 -3.902 -5.571 1.00 0.00 C ATOM 0 H VAL A 31 0.618 -6.666 -6.473 1.00 0.00 H new ATOM 0 HA VAL A 31 1.304 -4.239 -5.048 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.297 -5.697 -4.431 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.674 -3.834 -2.868 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.199 -4.746 -2.468 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.077 -3.168 -3.282 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.437 -3.656 -5.208 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.872 -2.984 -5.724 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.519 -4.440 -6.515 1.00 0.00 H new ATOM 504 N LYS A 32 2.336 -5.745 -3.364 1.00 0.00 N ATOM 505 CA LYS A 32 3.006 -6.626 -2.414 1.00 0.00 C ATOM 506 C LYS A 32 3.806 -5.822 -1.394 1.00 0.00 C ATOM 507 O LYS A 32 3.809 -4.592 -1.421 1.00 0.00 O ATOM 508 CB LYS A 32 3.929 -7.598 -3.154 1.00 0.00 C ATOM 509 CG LYS A 32 3.308 -8.965 -3.391 1.00 0.00 C ATOM 510 CD LYS A 32 4.300 -9.927 -4.029 1.00 0.00 C ATOM 511 CE LYS A 32 3.744 -10.538 -5.306 1.00 0.00 C ATOM 512 NZ LYS A 32 4.777 -10.626 -6.375 1.00 0.00 N ATOM 0 H LYS A 32 2.732 -4.807 -3.422 1.00 0.00 H new ATOM 0 HA LYS A 32 2.243 -7.193 -1.881 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.207 -7.163 -4.114 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.848 -7.720 -2.582 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.959 -9.376 -2.444 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.434 -8.862 -4.035 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.228 -9.400 -4.251 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.545 -10.720 -3.322 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.356 -11.534 -5.093 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.905 -9.939 -5.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.358 -11.048 -7.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.129 -9.673 -6.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.566 -11.219 -6.047 1.00 0.00 H new ATOM 526 N LEU A 33 4.483 -6.528 -0.494 1.00 0.00 N ATOM 527 CA LEU A 33 5.288 -5.884 0.537 1.00 0.00 C ATOM 528 C LEU A 33 6.738 -6.356 0.468 1.00 0.00 C ATOM 529 O LEU A 33 7.032 -7.407 -0.102 1.00 0.00 O ATOM 530 CB LEU A 33 4.709 -6.176 1.924 1.00 0.00 C ATOM 531 CG LEU A 33 3.203 -5.944 2.057 1.00 0.00 C ATOM 532 CD1 LEU A 33 2.730 -6.299 3.457 1.00 0.00 C ATOM 533 CD2 LEU A 33 2.857 -4.500 1.723 1.00 0.00 C ATOM 0 H LEU A 33 4.490 -7.547 -0.458 1.00 0.00 H new ATOM 0 HA LEU A 33 5.266 -4.808 0.362 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.926 -7.213 2.181 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.224 -5.552 2.655 1.00 0.00 H new ATOM 0 HG LEU A 33 2.689 -6.593 1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.656 -6.128 3.533 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.945 -7.348 3.659 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.249 -5.676 4.185 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.782 -4.351 1.822 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.380 -3.833 2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.161 -4.281 0.699 1.00 0.00 H new ATOM 545 N ILE A 34 7.638 -5.572 1.051 1.00 0.00 N ATOM 546 CA ILE A 34 9.057 -5.908 1.054 1.00 0.00 C ATOM 547 C ILE A 34 9.392 -6.911 2.153 1.00 0.00 C ATOM 548 O ILE A 34 10.398 -7.616 2.076 1.00 0.00 O ATOM 549 CB ILE A 34 9.932 -4.652 1.234 1.00 0.00 C ATOM 550 CG1 ILE A 34 9.567 -3.928 2.531 1.00 0.00 C ATOM 551 CG2 ILE A 34 9.778 -3.722 0.040 1.00 0.00 C ATOM 552 CD1 ILE A 34 10.482 -4.262 3.688 1.00 0.00 C ATOM 0 H ILE A 34 7.410 -4.699 1.528 1.00 0.00 H new ATOM 0 HA ILE A 34 9.272 -6.358 0.085 1.00 0.00 H new ATOM 0 HB ILE A 34 10.975 -4.962 1.296 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.593 -2.852 2.357 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.543 -4.182 2.803 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.402 -2.840 0.183 1.00 0.00 H new ATOM 0 HG22 ILE A 34 10.086 -4.241 -0.868 1.00 0.00 H new ATOM 0 HG23 ILE A 34 8.735 -3.417 -0.052 1.00 0.00 H new ATOM 0 HD11 ILE A 34 10.164 -3.713 4.574 1.00 0.00 H new ATOM 0 HD12 ILE A 34 10.438 -5.332 3.889 1.00 0.00 H new ATOM 0 HD13 ILE A 34 11.505 -3.982 3.436 1.00 0.00 H new ATOM 564 N TYR A 35 8.542 -6.973 3.172 1.00 0.00 N ATOM 565 CA TYR A 35 8.750 -7.893 4.286 1.00 0.00 C ATOM 566 C TYR A 35 10.087 -7.628 4.972 1.00 0.00 C ATOM 567 O TYR A 35 10.901 -6.844 4.485 1.00 0.00 O ATOM 568 CB TYR A 35 8.695 -9.341 3.796 1.00 0.00 C ATOM 569 CG TYR A 35 7.553 -9.619 2.846 1.00 0.00 C ATOM 570 CD1 TYR A 35 6.239 -9.644 3.296 1.00 0.00 C ATOM 571 CD2 TYR A 35 7.789 -9.857 1.497 1.00 0.00 C ATOM 572 CE1 TYR A 35 5.192 -9.898 2.430 1.00 0.00 C ATOM 573 CE2 TYR A 35 6.748 -10.111 0.625 1.00 0.00 C ATOM 574 CZ TYR A 35 5.452 -10.131 1.096 1.00 0.00 C ATOM 575 OH TYR A 35 4.413 -10.385 0.230 1.00 0.00 O ATOM 0 H TYR A 35 7.703 -6.398 3.250 1.00 0.00 H new ATOM 0 HA TYR A 35 7.952 -7.730 5.011 1.00 0.00 H new ATOM 0 HB2 TYR A 35 9.635 -9.583 3.300 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.609 -10.003 4.657 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.032 -9.462 4.340 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.803 -9.843 1.125 1.00 0.00 H new ATOM 0 HE1 TYR A 35 4.176 -9.914 2.796 1.00 0.00 H new ATOM 0 HE2 TYR A 35 6.948 -10.293 -0.421 1.00 0.00 H new ATOM 0 HH TYR A 35 4.767 -10.526 -0.673 1.00 0.00 H new ATOM 585 N ASP A 36 10.307 -8.289 6.105 1.00 0.00 N ATOM 586 CA ASP A 36 11.545 -8.126 6.857 1.00 0.00 C ATOM 587 C ASP A 36 12.752 -8.524 6.012 1.00 0.00 C ATOM 588 O ASP A 36 12.618 -9.240 5.020 1.00 0.00 O ATOM 589 CB ASP A 36 11.503 -8.966 8.135 1.00 0.00 C ATOM 590 CG ASP A 36 12.364 -8.383 9.239 1.00 0.00 C ATOM 591 OD1 ASP A 36 12.681 -7.177 9.170 1.00 0.00 O ATOM 592 OD2 ASP A 36 12.722 -9.133 10.171 1.00 0.00 O ATOM 0 H ASP A 36 9.644 -8.942 6.522 1.00 0.00 H new ATOM 0 HA ASP A 36 11.643 -7.074 7.124 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.473 -9.042 8.483 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.839 -9.979 7.912 1.00 0.00 H new ATOM 597 N ARG A 37 13.930 -8.055 6.413 1.00 0.00 N ATOM 598 CA ARG A 37 15.159 -8.362 5.692 1.00 0.00 C ATOM 599 C ARG A 37 15.927 -9.488 6.377 1.00 0.00 C ATOM 600 O ARG A 37 17.154 -9.448 6.477 1.00 0.00 O ATOM 601 CB ARG A 37 16.041 -7.115 5.592 1.00 0.00 C ATOM 602 CG ARG A 37 15.304 -5.889 5.077 1.00 0.00 C ATOM 603 CD ARG A 37 15.073 -4.870 6.182 1.00 0.00 C ATOM 604 NE ARG A 37 16.312 -4.525 6.877 1.00 0.00 N ATOM 605 CZ ARG A 37 16.355 -3.856 8.026 1.00 0.00 C ATOM 606 NH1 ARG A 37 15.234 -3.457 8.613 1.00 0.00 N ATOM 607 NH2 ARG A 37 17.524 -3.584 8.591 1.00 0.00 N ATOM 0 H ARG A 37 14.058 -7.462 7.233 1.00 0.00 H new ATOM 0 HA ARG A 37 14.889 -8.690 4.688 1.00 0.00 H new ATOM 0 HB2 ARG A 37 16.455 -6.893 6.575 1.00 0.00 H new ATOM 0 HB3 ARG A 37 16.882 -7.327 4.932 1.00 0.00 H new ATOM 0 HG2 ARG A 37 15.878 -5.430 4.272 1.00 0.00 H new ATOM 0 HG3 ARG A 37 14.346 -6.191 4.653 1.00 0.00 H new ATOM 0 HD2 ARG A 37 14.633 -3.968 5.757 1.00 0.00 H new ATOM 0 HD3 ARG A 37 14.355 -5.269 6.898 1.00 0.00 H new ATOM 0 HE ARG A 37 17.195 -4.814 6.456 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.332 -3.663 8.183 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.274 -2.944 9.494 1.00 0.00 H new ATOM 0 HH21 ARG A 37 18.389 -3.888 8.144 1.00 0.00 H new ATOM 0 HH22 ARG A 37 17.558 -3.071 9.472 1.00 0.00 H new ATOM 621 N GLU A 38 15.196 -10.494 6.848 1.00 0.00 N ATOM 622 CA GLU A 38 15.807 -11.632 7.524 1.00 0.00 C ATOM 623 C GLU A 38 14.781 -12.736 7.759 1.00 0.00 C ATOM 624 O GLU A 38 15.059 -13.915 7.539 1.00 0.00 O ATOM 625 CB GLU A 38 16.417 -11.196 8.857 1.00 0.00 C ATOM 626 CG GLU A 38 17.238 -12.280 9.535 1.00 0.00 C ATOM 627 CD GLU A 38 18.578 -12.504 8.862 1.00 0.00 C ATOM 628 OE1 GLU A 38 18.716 -12.135 7.677 1.00 0.00 O ATOM 629 OE2 GLU A 38 19.488 -13.048 9.520 1.00 0.00 O ATOM 0 H GLU A 38 14.180 -10.544 6.774 1.00 0.00 H new ATOM 0 HA GLU A 38 16.598 -12.022 6.883 1.00 0.00 H new ATOM 0 HB2 GLU A 38 17.050 -10.324 8.689 1.00 0.00 H new ATOM 0 HB3 GLU A 38 15.617 -10.885 9.528 1.00 0.00 H new ATOM 0 HG2 GLU A 38 17.400 -12.009 10.578 1.00 0.00 H new ATOM 0 HG3 GLU A 38 16.674 -13.213 9.532 1.00 0.00 H new ATOM 636 N THR A 39 13.594 -12.345 8.208 1.00 0.00 N ATOM 637 CA THR A 39 12.523 -13.298 8.475 1.00 0.00 C ATOM 638 C THR A 39 11.530 -13.352 7.315 1.00 0.00 C ATOM 639 O THR A 39 10.758 -14.302 7.193 1.00 0.00 O ATOM 640 CB THR A 39 11.795 -12.927 9.769 1.00 0.00 C ATOM 641 OG1 THR A 39 12.025 -11.570 10.104 1.00 0.00 O ATOM 642 CG2 THR A 39 12.216 -13.769 10.954 1.00 0.00 C ATOM 0 H THR A 39 13.349 -11.373 8.395 1.00 0.00 H new ATOM 0 HA THR A 39 12.972 -14.285 8.586 1.00 0.00 H new ATOM 0 HB THR A 39 10.739 -13.110 9.569 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.550 -11.353 10.933 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.662 -13.455 11.839 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.005 -14.818 10.748 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.284 -13.641 11.130 1.00 0.00 H new ATOM 650 N LYS A 40 11.554 -12.327 6.466 1.00 0.00 N ATOM 651 CA LYS A 40 10.653 -12.263 5.319 1.00 0.00 C ATOM 652 C LYS A 40 9.200 -12.171 5.773 1.00 0.00 C ATOM 653 O LYS A 40 8.298 -12.688 5.114 1.00 0.00 O ATOM 654 CB LYS A 40 10.848 -13.487 4.419 1.00 0.00 C ATOM 655 CG LYS A 40 11.799 -13.243 3.258 1.00 0.00 C ATOM 656 CD LYS A 40 11.202 -12.282 2.242 1.00 0.00 C ATOM 657 CE LYS A 40 12.271 -11.703 1.330 1.00 0.00 C ATOM 658 NZ LYS A 40 12.266 -12.349 -0.012 1.00 0.00 N ATOM 0 H LYS A 40 12.186 -11.531 6.551 1.00 0.00 H new ATOM 0 HA LYS A 40 10.892 -11.365 4.750 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.227 -14.313 5.021 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.880 -13.797 4.026 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.739 -12.839 3.635 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.032 -14.190 2.772 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.454 -12.802 1.644 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.689 -11.473 2.762 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.110 -10.631 1.217 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.250 -11.832 1.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.009 -11.926 -0.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.445 -13.368 0.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.340 -12.205 -0.463 1.00 0.00 H new ATOM 672 N LYS A 41 8.981 -11.508 6.904 1.00 0.00 N ATOM 673 CA LYS A 41 7.637 -11.345 7.448 1.00 0.00 C ATOM 674 C LYS A 41 7.114 -9.935 7.185 1.00 0.00 C ATOM 675 O LYS A 41 7.888 -8.982 7.103 1.00 0.00 O ATOM 676 CB LYS A 41 7.635 -11.632 8.950 1.00 0.00 C ATOM 677 CG LYS A 41 7.284 -13.072 9.294 1.00 0.00 C ATOM 678 CD LYS A 41 6.128 -13.148 10.280 1.00 0.00 C ATOM 679 CE LYS A 41 6.621 -13.359 11.701 1.00 0.00 C ATOM 680 NZ LYS A 41 5.718 -14.255 12.475 1.00 0.00 N ATOM 0 H LYS A 41 9.717 -11.075 7.462 1.00 0.00 H new ATOM 0 HA LYS A 41 6.979 -12.057 6.950 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.619 -11.399 9.357 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.923 -10.967 9.438 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.022 -13.610 8.383 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.157 -13.568 9.718 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.544 -12.229 10.229 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.462 -13.964 10.000 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.624 -13.786 11.678 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.697 -12.396 12.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.116 -14.414 13.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.781 -13.812 12.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.625 -15.165 11.981 1.00 0.00 H new ATOM 694 N PRO A 42 5.785 -9.783 7.048 1.00 0.00 N ATOM 695 CA PRO A 42 5.161 -8.480 6.794 1.00 0.00 C ATOM 696 C PRO A 42 5.614 -7.418 7.789 1.00 0.00 C ATOM 697 O PRO A 42 5.114 -7.350 8.912 1.00 0.00 O ATOM 698 CB PRO A 42 3.666 -8.764 6.959 1.00 0.00 C ATOM 699 CG PRO A 42 3.521 -10.214 6.652 1.00 0.00 C ATOM 700 CD PRO A 42 4.787 -10.868 7.131 1.00 0.00 C ATOM 0 HA PRO A 42 5.428 -8.084 5.814 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.329 -8.538 7.971 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.070 -8.154 6.281 1.00 0.00 H new ATOM 0 HG2 PRO A 42 2.650 -10.634 7.155 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.379 -10.374 5.583 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.685 -11.243 8.149 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.063 -11.716 6.505 1.00 0.00 H new ATOM 708 N LYS A 43 6.566 -6.590 7.370 1.00 0.00 N ATOM 709 CA LYS A 43 7.089 -5.530 8.225 1.00 0.00 C ATOM 710 C LYS A 43 8.017 -4.608 7.441 1.00 0.00 C ATOM 711 O LYS A 43 8.936 -5.065 6.764 1.00 0.00 O ATOM 712 CB LYS A 43 7.836 -6.133 9.417 1.00 0.00 C ATOM 713 CG LYS A 43 8.419 -5.092 10.360 1.00 0.00 C ATOM 714 CD LYS A 43 9.834 -4.705 9.958 1.00 0.00 C ATOM 715 CE LYS A 43 10.758 -4.635 11.163 1.00 0.00 C ATOM 716 NZ LYS A 43 10.923 -5.963 11.814 1.00 0.00 N ATOM 0 H LYS A 43 6.991 -6.633 6.444 1.00 0.00 H new ATOM 0 HA LYS A 43 6.248 -4.942 8.591 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.155 -6.775 9.975 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.641 -6.768 9.047 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.785 -4.205 10.362 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.423 -5.483 11.377 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.221 -5.431 9.243 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.818 -3.739 9.454 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.733 -4.260 10.852 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.359 -3.924 11.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.844 -6.001 12.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.162 -6.106 12.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.878 -6.711 11.093 1.00 0.00 H new ATOM 730 N GLY A 44 7.770 -3.305 7.541 1.00 0.00 N ATOM 731 CA GLY A 44 8.592 -2.339 6.837 1.00 0.00 C ATOM 732 C GLY A 44 7.773 -1.372 6.005 1.00 0.00 C ATOM 733 O GLY A 44 7.581 -0.219 6.391 1.00 0.00 O ATOM 0 H GLY A 44 7.016 -2.902 8.097 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.186 -1.778 7.559 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.292 -2.867 6.189 1.00 0.00 H new ATOM 737 N PHE A 45 7.290 -1.842 4.859 1.00 0.00 N ATOM 738 CA PHE A 45 6.488 -1.011 3.970 1.00 0.00 C ATOM 739 C PHE A 45 5.983 -1.818 2.779 1.00 0.00 C ATOM 740 O PHE A 45 6.387 -2.965 2.578 1.00 0.00 O ATOM 741 CB PHE A 45 7.307 0.185 3.480 1.00 0.00 C ATOM 742 CG PHE A 45 8.658 -0.193 2.940 1.00 0.00 C ATOM 743 CD1 PHE A 45 9.745 -0.319 3.790 1.00 0.00 C ATOM 744 CD2 PHE A 45 8.838 -0.421 1.586 1.00 0.00 C ATOM 745 CE1 PHE A 45 10.989 -0.666 3.297 1.00 0.00 C ATOM 746 CE2 PHE A 45 10.079 -0.768 1.088 1.00 0.00 C ATOM 747 CZ PHE A 45 11.156 -0.891 1.945 1.00 0.00 C ATOM 0 H PHE A 45 7.440 -2.794 4.525 1.00 0.00 H new ATOM 0 HA PHE A 45 5.627 -0.648 4.531 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.747 0.705 2.703 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.437 0.888 4.303 1.00 0.00 H new ATOM 0 HD1 PHE A 45 9.619 -0.144 4.848 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.999 -0.327 0.912 1.00 0.00 H new ATOM 0 HE1 PHE A 45 11.829 -0.761 3.969 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.207 -0.943 0.030 1.00 0.00 H new ATOM 0 HZ PHE A 45 12.127 -1.163 1.558 1.00 0.00 H new ATOM 757 N GLY A 46 5.100 -1.214 1.991 1.00 0.00 N ATOM 758 CA GLY A 46 4.555 -1.893 0.829 1.00 0.00 C ATOM 759 C GLY A 46 4.578 -1.025 -0.413 1.00 0.00 C ATOM 760 O GLY A 46 4.869 0.169 -0.339 1.00 0.00 O ATOM 0 H GLY A 46 4.752 -0.266 2.136 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.125 -2.803 0.643 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.529 -2.197 1.037 1.00 0.00 H new ATOM 764 N PHE A 47 4.271 -1.626 -1.559 1.00 0.00 N ATOM 765 CA PHE A 47 4.259 -0.898 -2.822 1.00 0.00 C ATOM 766 C PHE A 47 3.007 -1.230 -3.629 1.00 0.00 C ATOM 767 O PHE A 47 2.515 -2.358 -3.595 1.00 0.00 O ATOM 768 CB PHE A 47 5.511 -1.231 -3.638 1.00 0.00 C ATOM 769 CG PHE A 47 6.597 -0.199 -3.517 1.00 0.00 C ATOM 770 CD1 PHE A 47 6.542 0.973 -4.256 1.00 0.00 C ATOM 771 CD2 PHE A 47 7.671 -0.401 -2.666 1.00 0.00 C ATOM 772 CE1 PHE A 47 7.539 1.923 -4.148 1.00 0.00 C ATOM 773 CE2 PHE A 47 8.671 0.547 -2.553 1.00 0.00 C ATOM 774 CZ PHE A 47 8.605 1.710 -3.295 1.00 0.00 C ATOM 0 H PHE A 47 4.028 -2.613 -1.638 1.00 0.00 H new ATOM 0 HA PHE A 47 4.253 0.169 -2.599 1.00 0.00 H new ATOM 0 HB2 PHE A 47 5.900 -2.196 -3.314 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.234 -1.335 -4.687 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.710 1.145 -4.923 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.728 -1.309 -2.084 1.00 0.00 H new ATOM 0 HE1 PHE A 47 7.485 2.831 -4.730 1.00 0.00 H new ATOM 0 HE2 PHE A 47 9.503 0.378 -1.885 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.385 2.452 -3.209 1.00 0.00 H new ATOM 784 N VAL A 48 2.498 -0.240 -4.355 1.00 0.00 N ATOM 785 CA VAL A 48 1.305 -0.426 -5.172 1.00 0.00 C ATOM 786 C VAL A 48 1.516 0.114 -6.582 1.00 0.00 C ATOM 787 O VAL A 48 1.376 1.313 -6.826 1.00 0.00 O ATOM 788 CB VAL A 48 0.080 0.270 -4.546 1.00 0.00 C ATOM 789 CG1 VAL A 48 -1.185 -0.083 -5.311 1.00 0.00 C ATOM 790 CG2 VAL A 48 -0.055 -0.102 -3.077 1.00 0.00 C ATOM 0 H VAL A 48 2.893 0.699 -4.394 1.00 0.00 H new ATOM 0 HA VAL A 48 1.119 -1.499 -5.220 1.00 0.00 H new ATOM 0 HB VAL A 48 0.227 1.348 -4.611 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.038 0.418 -4.854 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.086 0.241 -6.347 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.339 -1.162 -5.282 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.925 0.399 -2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.177 -1.181 -2.985 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.841 0.209 -2.539 1.00 0.00 H new ATOM 800 N GLU A 49 1.854 -0.777 -7.508 1.00 0.00 N ATOM 801 CA GLU A 49 2.084 -0.389 -8.895 1.00 0.00 C ATOM 802 C GLU A 49 0.785 0.052 -9.561 1.00 0.00 C ATOM 803 O GLU A 49 0.097 -0.751 -10.193 1.00 0.00 O ATOM 804 CB GLU A 49 2.702 -1.550 -9.675 1.00 0.00 C ATOM 805 CG GLU A 49 3.184 -1.162 -11.064 1.00 0.00 C ATOM 806 CD GLU A 49 3.818 -2.322 -11.806 1.00 0.00 C ATOM 807 OE1 GLU A 49 4.282 -3.272 -11.139 1.00 0.00 O ATOM 808 OE2 GLU A 49 3.850 -2.282 -13.054 1.00 0.00 O ATOM 0 H GLU A 49 1.975 -1.773 -7.323 1.00 0.00 H new ATOM 0 HA GLU A 49 2.776 0.453 -8.900 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.541 -1.952 -9.107 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.966 -2.349 -9.765 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.343 -0.781 -11.643 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.907 -0.350 -10.980 1.00 0.00 H new ATOM 815 N MET A 50 0.455 1.331 -9.416 1.00 0.00 N ATOM 816 CA MET A 50 -0.762 1.878 -10.005 1.00 0.00 C ATOM 817 C MET A 50 -0.447 3.086 -10.882 1.00 0.00 C ATOM 818 O MET A 50 0.710 3.485 -11.014 1.00 0.00 O ATOM 819 CB MET A 50 -1.752 2.273 -8.906 1.00 0.00 C ATOM 820 CG MET A 50 -2.787 1.202 -8.607 1.00 0.00 C ATOM 821 SD MET A 50 -4.440 1.879 -8.363 1.00 0.00 S ATOM 822 CE MET A 50 -4.800 2.495 -10.006 1.00 0.00 C ATOM 0 H MET A 50 1.013 2.008 -8.896 1.00 0.00 H new ATOM 0 HA MET A 50 -1.213 1.107 -10.630 1.00 0.00 H new ATOM 0 HB2 MET A 50 -1.199 2.497 -7.994 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.264 3.189 -9.202 1.00 0.00 H new ATOM 0 HG2 MET A 50 -2.810 0.486 -9.428 1.00 0.00 H new ATOM 0 HG3 MET A 50 -2.488 0.653 -7.714 1.00 0.00 H new ATOM 0 HE1 MET A 50 -5.806 2.913 -10.025 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.080 3.270 -10.270 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.733 1.678 -10.724 1.00 0.00 H new ATOM 832 N GLN A 51 -1.485 3.664 -11.480 1.00 0.00 N ATOM 833 CA GLN A 51 -1.320 4.826 -12.343 1.00 0.00 C ATOM 834 C GLN A 51 -0.886 6.046 -11.535 1.00 0.00 C ATOM 835 O GLN A 51 -0.826 6.000 -10.306 1.00 0.00 O ATOM 836 CB GLN A 51 -2.625 5.126 -13.084 1.00 0.00 C ATOM 837 CG GLN A 51 -2.631 4.642 -14.525 1.00 0.00 C ATOM 838 CD GLN A 51 -3.605 5.412 -15.395 1.00 0.00 C ATOM 839 OE1 GLN A 51 -4.633 4.880 -15.817 1.00 0.00 O ATOM 840 NE2 GLN A 51 -3.287 6.672 -15.668 1.00 0.00 N ATOM 0 H GLN A 51 -2.449 3.345 -11.382 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.541 4.600 -13.071 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.452 4.659 -12.549 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.802 6.201 -13.070 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.627 4.735 -14.940 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.888 3.583 -14.548 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.425 7.072 -15.297 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.905 7.240 -16.248 1.00 0.00 H new ATOM 849 N GLU A 52 -0.581 7.135 -12.233 1.00 0.00 N ATOM 850 CA GLU A 52 -0.152 8.367 -11.581 1.00 0.00 C ATOM 851 C GLU A 52 -1.343 9.118 -10.996 1.00 0.00 C ATOM 852 O GLU A 52 -1.247 9.720 -9.927 1.00 0.00 O ATOM 853 CB GLU A 52 0.591 9.263 -12.573 1.00 0.00 C ATOM 854 CG GLU A 52 1.575 8.512 -13.456 1.00 0.00 C ATOM 855 CD GLU A 52 1.189 8.547 -14.922 1.00 0.00 C ATOM 856 OE1 GLU A 52 0.687 9.596 -15.379 1.00 0.00 O ATOM 857 OE2 GLU A 52 1.389 7.526 -15.613 1.00 0.00 O ATOM 0 H GLU A 52 -0.623 7.189 -13.251 1.00 0.00 H new ATOM 0 HA GLU A 52 0.522 8.100 -10.767 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.137 9.771 -13.206 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.127 10.035 -12.021 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.568 8.944 -13.335 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.636 7.475 -13.125 1.00 0.00 H new ATOM 864 N GLU A 53 -2.466 9.079 -11.705 1.00 0.00 N ATOM 865 CA GLU A 53 -3.678 9.756 -11.258 1.00 0.00 C ATOM 866 C GLU A 53 -4.196 9.149 -9.958 1.00 0.00 C ATOM 867 O GLU A 53 -4.717 9.856 -9.095 1.00 0.00 O ATOM 868 CB GLU A 53 -4.758 9.679 -12.337 1.00 0.00 C ATOM 869 CG GLU A 53 -4.952 8.282 -12.905 1.00 0.00 C ATOM 870 CD GLU A 53 -6.309 8.101 -13.558 1.00 0.00 C ATOM 871 OE1 GLU A 53 -7.327 8.157 -12.837 1.00 0.00 O ATOM 872 OE2 GLU A 53 -6.352 7.905 -14.791 1.00 0.00 O ATOM 0 H GLU A 53 -2.562 8.585 -12.592 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.431 10.802 -11.074 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.703 10.027 -11.919 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.499 10.359 -13.148 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.171 8.080 -13.638 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.837 7.550 -12.106 1.00 0.00 H new ATOM 879 N SER A 54 -4.052 7.835 -9.825 1.00 0.00 N ATOM 880 CA SER A 54 -4.508 7.133 -8.630 1.00 0.00 C ATOM 881 C SER A 54 -3.622 7.460 -7.431 1.00 0.00 C ATOM 882 O SER A 54 -4.080 7.457 -6.289 1.00 0.00 O ATOM 883 CB SER A 54 -4.519 5.623 -8.874 1.00 0.00 C ATOM 884 OG SER A 54 -5.179 4.940 -7.821 1.00 0.00 O ATOM 0 H SER A 54 -3.623 7.234 -10.529 1.00 0.00 H new ATOM 0 HA SER A 54 -5.522 7.467 -8.409 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.017 5.408 -9.819 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.496 5.258 -8.963 1.00 0.00 H new ATOM 0 HG SER A 54 -4.911 3.997 -7.824 1.00 0.00 H new ATOM 890 N VAL A 55 -2.351 7.737 -7.700 1.00 0.00 N ATOM 891 CA VAL A 55 -1.399 8.063 -6.644 1.00 0.00 C ATOM 892 C VAL A 55 -1.743 9.393 -5.980 1.00 0.00 C ATOM 893 O VAL A 55 -1.571 9.558 -4.773 1.00 0.00 O ATOM 894 CB VAL A 55 0.041 8.131 -7.191 1.00 0.00 C ATOM 895 CG1 VAL A 55 1.037 8.309 -6.056 1.00 0.00 C ATOM 896 CG2 VAL A 55 0.363 6.887 -8.006 1.00 0.00 C ATOM 0 H VAL A 55 -1.956 7.742 -8.640 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.463 7.266 -5.903 1.00 0.00 H new ATOM 0 HB VAL A 55 0.119 8.997 -7.849 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.047 8.355 -6.462 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.819 9.234 -5.522 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.960 7.466 -5.369 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.383 6.953 -8.384 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.266 6.004 -7.375 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.330 6.812 -8.844 1.00 0.00 H new ATOM 906 N SER A 56 -2.227 10.340 -6.777 1.00 0.00 N ATOM 907 CA SER A 56 -2.591 11.656 -6.265 1.00 0.00 C ATOM 908 C SER A 56 -3.939 11.617 -5.550 1.00 0.00 C ATOM 909 O SER A 56 -4.217 12.445 -4.682 1.00 0.00 O ATOM 910 CB SER A 56 -2.639 12.675 -7.406 1.00 0.00 C ATOM 911 OG SER A 56 -3.037 13.950 -6.936 1.00 0.00 O ATOM 0 H SER A 56 -2.376 10.221 -7.779 1.00 0.00 H new ATOM 0 HA SER A 56 -1.829 11.956 -5.545 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.657 12.747 -7.875 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.334 12.334 -8.173 1.00 0.00 H new ATOM 0 HG SER A 56 -3.058 14.583 -7.684 1.00 0.00 H new ATOM 917 N GLU A 57 -4.774 10.650 -5.918 1.00 0.00 N ATOM 918 CA GLU A 57 -6.093 10.505 -5.310 1.00 0.00 C ATOM 919 C GLU A 57 -6.029 9.590 -4.093 1.00 0.00 C ATOM 920 O GLU A 57 -6.600 9.892 -3.046 1.00 0.00 O ATOM 921 CB GLU A 57 -7.090 9.954 -6.331 1.00 0.00 C ATOM 922 CG GLU A 57 -8.452 10.627 -6.274 1.00 0.00 C ATOM 923 CD GLU A 57 -9.331 10.070 -5.172 1.00 0.00 C ATOM 924 OE1 GLU A 57 -10.012 9.051 -5.414 1.00 0.00 O ATOM 925 OE2 GLU A 57 -9.341 10.653 -4.068 1.00 0.00 O ATOM 0 H GLU A 57 -4.561 9.955 -6.634 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.429 11.489 -4.984 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.676 10.074 -7.332 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.215 8.884 -6.164 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.318 11.698 -6.121 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.955 10.503 -7.233 1.00 0.00 H new ATOM 932 N ALA A 58 -5.328 8.471 -4.240 1.00 0.00 N ATOM 933 CA ALA A 58 -5.186 7.512 -3.154 1.00 0.00 C ATOM 934 C ALA A 58 -4.573 8.169 -1.923 1.00 0.00 C ATOM 935 O ALA A 58 -5.239 8.339 -0.903 1.00 0.00 O ATOM 936 CB ALA A 58 -4.338 6.331 -3.602 1.00 0.00 C ATOM 0 H ALA A 58 -4.850 8.207 -5.101 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.179 7.151 -2.886 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.240 5.621 -2.781 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.816 5.841 -4.450 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.350 6.684 -3.897 1.00 0.00 H new ATOM 942 N ILE A 59 -3.302 8.541 -2.030 1.00 0.00 N ATOM 943 CA ILE A 59 -2.594 9.184 -0.928 1.00 0.00 C ATOM 944 C ILE A 59 -3.343 10.424 -0.443 1.00 0.00 C ATOM 945 O ILE A 59 -3.290 10.773 0.736 1.00 0.00 O ATOM 946 CB ILE A 59 -1.159 9.581 -1.344 1.00 0.00 C ATOM 947 CG1 ILE A 59 -0.379 8.345 -1.800 1.00 0.00 C ATOM 948 CG2 ILE A 59 -0.432 10.280 -0.201 1.00 0.00 C ATOM 949 CD1 ILE A 59 0.345 8.538 -3.114 1.00 0.00 C ATOM 0 H ILE A 59 -2.740 8.408 -2.870 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.540 8.461 -0.114 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.226 10.281 -2.177 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.346 8.079 -1.031 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.067 7.505 -1.894 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.575 10.548 -0.520 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.976 11.182 0.079 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.374 9.610 0.657 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.876 7.622 -3.375 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.377 8.774 -3.896 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.058 9.357 -3.019 1.00 0.00 H new ATOM 961 N ALA A 60 -4.041 11.082 -1.360 1.00 0.00 N ATOM 962 CA ALA A 60 -4.798 12.282 -1.029 1.00 0.00 C ATOM 963 C ALA A 60 -5.802 12.022 0.091 1.00 0.00 C ATOM 964 O ALA A 60 -5.750 12.658 1.143 1.00 0.00 O ATOM 965 CB ALA A 60 -5.513 12.808 -2.265 1.00 0.00 C ATOM 0 H ALA A 60 -4.098 10.804 -2.340 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.093 13.034 -0.674 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.076 13.705 -2.006 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.780 13.049 -3.034 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.197 12.047 -2.641 1.00 0.00 H new ATOM 971 N LYS A 61 -6.723 11.093 -0.148 1.00 0.00 N ATOM 972 CA LYS A 61 -7.748 10.762 0.838 1.00 0.00 C ATOM 973 C LYS A 61 -7.303 9.639 1.776 1.00 0.00 C ATOM 974 O LYS A 61 -7.956 9.375 2.785 1.00 0.00 O ATOM 975 CB LYS A 61 -9.044 10.358 0.132 1.00 0.00 C ATOM 976 CG LYS A 61 -9.866 11.542 -0.353 1.00 0.00 C ATOM 977 CD LYS A 61 -9.117 12.344 -1.404 1.00 0.00 C ATOM 978 CE LYS A 61 -10.020 13.372 -2.067 1.00 0.00 C ATOM 979 NZ LYS A 61 -9.241 14.477 -2.690 1.00 0.00 N ATOM 0 H LYS A 61 -6.781 10.557 -1.014 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.917 11.653 1.442 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.801 9.721 -0.719 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.649 9.761 0.814 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.809 11.186 -0.768 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.112 12.186 0.491 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.268 12.848 -0.942 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.715 11.670 -2.160 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.629 12.883 -2.828 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.706 13.784 -1.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.894 15.156 -3.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.679 14.960 -1.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.605 14.088 -3.415 1.00 0.00 H new ATOM 993 N LEU A 62 -6.201 8.974 1.441 1.00 0.00 N ATOM 994 CA LEU A 62 -5.701 7.877 2.265 1.00 0.00 C ATOM 995 C LEU A 62 -4.728 8.373 3.332 1.00 0.00 C ATOM 996 O LEU A 62 -5.073 8.444 4.511 1.00 0.00 O ATOM 997 CB LEU A 62 -5.020 6.823 1.392 1.00 0.00 C ATOM 998 CG LEU A 62 -5.968 6.002 0.514 1.00 0.00 C ATOM 999 CD1 LEU A 62 -5.190 4.993 -0.319 1.00 0.00 C ATOM 1000 CD2 LEU A 62 -7.010 5.299 1.373 1.00 0.00 C ATOM 0 H LEU A 62 -5.641 9.173 0.612 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.557 7.430 2.770 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.292 7.319 0.750 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.464 6.142 2.037 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.482 6.680 -0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.882 4.420 -0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.483 5.519 -0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.647 4.317 0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.677 4.719 0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.512 4.633 2.077 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.589 6.041 1.923 1.00 0.00 H new ATOM 1012 N ASP A 63 -3.511 8.703 2.913 1.00 0.00 N ATOM 1013 CA ASP A 63 -2.486 9.178 3.840 1.00 0.00 C ATOM 1014 C ASP A 63 -2.999 10.345 4.682 1.00 0.00 C ATOM 1015 O ASP A 63 -3.848 11.120 4.242 1.00 0.00 O ATOM 1016 CB ASP A 63 -1.216 9.575 3.068 1.00 0.00 C ATOM 1017 CG ASP A 63 -1.010 11.078 2.973 1.00 0.00 C ATOM 1018 OD1 ASP A 63 -1.966 11.784 2.587 1.00 0.00 O ATOM 1019 OD2 ASP A 63 0.104 11.546 3.286 1.00 0.00 O ATOM 0 H ASP A 63 -3.209 8.651 1.940 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.239 8.365 4.523 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.350 9.127 3.555 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.267 9.159 2.062 1.00 0.00 H new ATOM 1024 N ASN A 64 -2.471 10.463 5.897 1.00 0.00 N ATOM 1025 CA ASN A 64 -2.866 11.531 6.806 1.00 0.00 C ATOM 1026 C ASN A 64 -2.082 11.450 8.112 1.00 0.00 C ATOM 1027 O ASN A 64 -1.655 12.469 8.656 1.00 0.00 O ATOM 1028 CB ASN A 64 -4.367 11.457 7.095 1.00 0.00 C ATOM 1029 CG ASN A 64 -4.961 12.812 7.424 1.00 0.00 C ATOM 1030 OD1 ASN A 64 -4.705 13.373 8.490 1.00 0.00 O ATOM 1031 ND2 ASN A 64 -5.760 13.347 6.508 1.00 0.00 N ATOM 0 H ASN A 64 -1.766 9.829 6.274 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.643 12.483 6.325 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.880 11.039 6.229 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -4.540 10.776 7.928 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.189 14.258 6.674 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.945 12.847 5.638 1.00 0.00 H new ATOM 1038 N THR A 65 -1.896 10.232 8.610 1.00 0.00 N ATOM 1039 CA THR A 65 -1.163 10.018 9.853 1.00 0.00 C ATOM 1040 C THR A 65 -0.730 8.561 9.982 1.00 0.00 C ATOM 1041 O THR A 65 -0.833 7.786 9.031 1.00 0.00 O ATOM 1042 CB THR A 65 -2.023 10.417 11.054 1.00 0.00 C ATOM 1043 OG1 THR A 65 -3.119 11.214 10.645 1.00 0.00 O ATOM 1044 CG2 THR A 65 -1.259 11.193 12.107 1.00 0.00 C ATOM 0 H THR A 65 -2.242 9.378 8.172 1.00 0.00 H new ATOM 0 HA THR A 65 -0.271 10.644 9.833 1.00 0.00 H new ATOM 0 HB THR A 65 -2.360 9.477 11.491 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.657 11.457 11.427 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.928 11.444 12.930 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.435 10.585 12.481 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.863 12.109 11.668 1.00 0.00 H new ATOM 1052 N ASP A 66 -0.246 8.195 11.165 1.00 0.00 N ATOM 1053 CA ASP A 66 0.202 6.830 11.418 1.00 0.00 C ATOM 1054 C ASP A 66 -0.786 6.093 12.315 1.00 0.00 C ATOM 1055 O ASP A 66 -0.706 6.171 13.540 1.00 0.00 O ATOM 1056 CB ASP A 66 1.589 6.837 12.063 1.00 0.00 C ATOM 1057 CG ASP A 66 2.700 6.679 11.044 1.00 0.00 C ATOM 1058 OD1 ASP A 66 2.499 5.943 10.055 1.00 0.00 O ATOM 1059 OD2 ASP A 66 3.773 7.291 11.235 1.00 0.00 O ATOM 0 H ASP A 66 -0.154 8.824 11.963 1.00 0.00 H new ATOM 0 HA ASP A 66 0.257 6.308 10.463 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.729 7.771 12.607 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.652 6.030 12.793 1.00 0.00 H new ATOM 1064 N PHE A 67 -1.719 5.375 11.695 1.00 0.00 N ATOM 1065 CA PHE A 67 -2.723 4.622 12.437 1.00 0.00 C ATOM 1066 C PHE A 67 -2.574 3.124 12.189 1.00 0.00 C ATOM 1067 O PHE A 67 -1.652 2.688 11.499 1.00 0.00 O ATOM 1068 CB PHE A 67 -4.129 5.082 12.043 1.00 0.00 C ATOM 1069 CG PHE A 67 -4.850 5.815 13.139 1.00 0.00 C ATOM 1070 CD1 PHE A 67 -5.563 5.119 14.101 1.00 0.00 C ATOM 1071 CD2 PHE A 67 -4.811 7.198 13.206 1.00 0.00 C ATOM 1072 CE1 PHE A 67 -6.227 5.789 15.111 1.00 0.00 C ATOM 1073 CE2 PHE A 67 -5.473 7.874 14.214 1.00 0.00 C ATOM 1074 CZ PHE A 67 -6.182 7.169 15.167 1.00 0.00 C ATOM 0 H PHE A 67 -1.800 5.300 10.681 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.572 4.811 13.500 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.059 5.729 11.169 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.718 4.213 11.750 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.601 4.040 14.061 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -4.258 7.754 12.463 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -6.780 5.235 15.855 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -5.436 8.953 14.256 1.00 0.00 H new ATOM 0 HZ PHE A 67 -6.700 7.696 15.955 1.00 0.00 H new ATOM 1084 N MET A 68 -3.487 2.342 12.756 1.00 0.00 N ATOM 1085 CA MET A 68 -3.457 0.892 12.597 1.00 0.00 C ATOM 1086 C MET A 68 -4.346 0.454 11.436 1.00 0.00 C ATOM 1087 O MET A 68 -5.129 -0.487 11.560 1.00 0.00 O ATOM 1088 CB MET A 68 -3.907 0.208 13.889 1.00 0.00 C ATOM 1089 CG MET A 68 -3.185 0.713 15.128 1.00 0.00 C ATOM 1090 SD MET A 68 -3.091 -0.529 16.432 1.00 0.00 S ATOM 1091 CE MET A 68 -4.566 -0.144 17.372 1.00 0.00 C ATOM 0 H MET A 68 -4.256 2.688 13.329 1.00 0.00 H new ATOM 0 HA MET A 68 -2.432 0.595 12.376 1.00 0.00 H new ATOM 0 HB2 MET A 68 -4.979 0.359 14.016 1.00 0.00 H new ATOM 0 HB3 MET A 68 -3.746 -0.866 13.797 1.00 0.00 H new ATOM 0 HG2 MET A 68 -2.177 1.024 14.855 1.00 0.00 H new ATOM 0 HG3 MET A 68 -3.699 1.596 15.509 1.00 0.00 H new ATOM 0 HE1 MET A 68 -4.649 -0.829 18.216 1.00 0.00 H new ATOM 0 HE2 MET A 68 -4.506 0.880 17.740 1.00 0.00 H new ATOM 0 HE3 MET A 68 -5.443 -0.249 16.733 1.00 0.00 H new ATOM 1101 N GLY A 69 -4.217 1.144 10.307 1.00 0.00 N ATOM 1102 CA GLY A 69 -5.013 0.812 9.140 1.00 0.00 C ATOM 1103 C GLY A 69 -6.181 1.759 8.946 1.00 0.00 C ATOM 1104 O GLY A 69 -7.241 1.358 8.464 1.00 0.00 O ATOM 0 H GLY A 69 -3.576 1.927 10.180 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.379 0.835 8.253 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.388 -0.207 9.238 1.00 0.00 H new ATOM 1108 N ARG A 70 -5.988 3.019 9.323 1.00 0.00 N ATOM 1109 CA ARG A 70 -7.034 4.026 9.188 1.00 0.00 C ATOM 1110 C ARG A 70 -6.644 5.092 8.167 1.00 0.00 C ATOM 1111 O ARG A 70 -7.503 5.677 7.509 1.00 0.00 O ATOM 1112 CB ARG A 70 -7.317 4.680 10.542 1.00 0.00 C ATOM 1113 CG ARG A 70 -8.797 4.891 10.819 1.00 0.00 C ATOM 1114 CD ARG A 70 -9.020 5.975 11.863 1.00 0.00 C ATOM 1115 NE ARG A 70 -10.348 5.889 12.464 1.00 0.00 N ATOM 1116 CZ ARG A 70 -10.930 6.891 13.120 1.00 0.00 C ATOM 1117 NH1 ARG A 70 -10.304 8.053 13.263 1.00 0.00 N ATOM 1118 NH2 ARG A 70 -12.141 6.731 13.635 1.00 0.00 N ATOM 0 H ARG A 70 -5.117 3.367 9.724 1.00 0.00 H new ATOM 0 HA ARG A 70 -7.937 3.528 8.834 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.893 4.059 11.331 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.807 5.642 10.585 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -9.306 5.164 9.895 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.241 3.957 11.163 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.263 5.889 12.642 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -8.893 6.954 11.402 1.00 0.00 H new ATOM 0 HE ARG A 70 -10.859 5.011 12.376 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.372 8.182 12.869 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.755 8.817 13.767 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.627 5.840 13.529 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.587 7.498 14.138 1.00 0.00 H new ATOM 1132 N THR A 71 -5.344 5.340 8.041 1.00 0.00 N ATOM 1133 CA THR A 71 -4.844 6.338 7.102 1.00 0.00 C ATOM 1134 C THR A 71 -3.432 5.995 6.640 1.00 0.00 C ATOM 1135 O THR A 71 -3.127 6.058 5.449 1.00 0.00 O ATOM 1136 CB THR A 71 -4.860 7.725 7.745 1.00 0.00 C ATOM 1137 OG1 THR A 71 -4.274 8.684 6.883 1.00 0.00 O ATOM 1138 CG2 THR A 71 -4.119 7.781 9.064 1.00 0.00 C ATOM 0 H THR A 71 -4.618 4.864 8.577 1.00 0.00 H new ATOM 0 HA THR A 71 -5.499 6.340 6.231 1.00 0.00 H new ATOM 0 HB THR A 71 -5.912 7.947 7.927 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.812 8.762 6.067 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.169 8.793 9.467 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.577 7.087 9.769 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.077 7.504 8.908 1.00 0.00 H new ATOM 1146 N ILE A 72 -2.573 5.636 7.587 1.00 0.00 N ATOM 1147 CA ILE A 72 -1.193 5.289 7.270 1.00 0.00 C ATOM 1148 C ILE A 72 -0.467 6.474 6.646 1.00 0.00 C ATOM 1149 O ILE A 72 -1.098 7.413 6.159 1.00 0.00 O ATOM 1150 CB ILE A 72 -1.124 4.089 6.304 1.00 0.00 C ATOM 1151 CG1 ILE A 72 -2.074 2.979 6.761 1.00 0.00 C ATOM 1152 CG2 ILE A 72 0.301 3.566 6.209 1.00 0.00 C ATOM 1153 CD1 ILE A 72 -2.165 1.825 5.787 1.00 0.00 C ATOM 0 H ILE A 72 -2.807 5.578 8.578 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.706 5.017 8.207 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.436 4.423 5.314 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.742 2.602 7.728 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.069 3.400 6.907 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.333 2.719 5.523 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.955 4.356 5.840 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.638 3.247 7.195 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.855 1.076 6.174 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.526 2.188 4.825 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.179 1.378 5.659 1.00 0.00 H new ATOM 1165 N ARG A 73 0.861 6.429 6.662 1.00 0.00 N ATOM 1166 CA ARG A 73 1.666 7.504 6.094 1.00 0.00 C ATOM 1167 C ARG A 73 2.049 7.196 4.649 1.00 0.00 C ATOM 1168 O ARG A 73 3.190 7.404 4.238 1.00 0.00 O ATOM 1169 CB ARG A 73 2.926 7.722 6.937 1.00 0.00 C ATOM 1170 CG ARG A 73 2.760 8.776 8.019 1.00 0.00 C ATOM 1171 CD ARG A 73 3.858 9.826 7.953 1.00 0.00 C ATOM 1172 NE ARG A 73 5.161 9.278 8.324 1.00 0.00 N ATOM 1173 CZ ARG A 73 6.322 9.847 8.012 1.00 0.00 C ATOM 1174 NH1 ARG A 73 6.350 10.981 7.322 1.00 0.00 N ATOM 1175 NH2 ARG A 73 7.460 9.281 8.389 1.00 0.00 N ATOM 0 H ARG A 73 1.401 5.662 7.061 1.00 0.00 H new ATOM 0 HA ARG A 73 1.069 8.416 6.102 1.00 0.00 H new ATOM 0 HB2 ARG A 73 3.210 6.778 7.402 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.746 8.013 6.281 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.788 9.258 7.912 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.772 8.298 8.998 1.00 0.00 H new ATOM 0 HD2 ARG A 73 3.910 10.234 6.943 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.610 10.653 8.618 1.00 0.00 H new ATOM 0 HE ARG A 73 5.181 8.407 8.854 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.478 11.421 7.028 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.244 11.412 7.086 1.00 0.00 H new ATOM 0 HH21 ARG A 73 7.445 8.409 8.918 1.00 0.00 H new ATOM 0 HH22 ARG A 73 8.350 9.717 8.150 1.00 0.00 H new ATOM 1189 N VAL A 74 1.084 6.698 3.879 1.00 0.00 N ATOM 1190 CA VAL A 74 1.322 6.363 2.480 1.00 0.00 C ATOM 1191 C VAL A 74 1.718 7.602 1.681 1.00 0.00 C ATOM 1192 O VAL A 74 1.272 8.710 1.974 1.00 0.00 O ATOM 1193 CB VAL A 74 0.076 5.720 1.836 1.00 0.00 C ATOM 1194 CG1 VAL A 74 -1.109 6.674 1.883 1.00 0.00 C ATOM 1195 CG2 VAL A 74 0.369 5.293 0.406 1.00 0.00 C ATOM 0 H VAL A 74 0.133 6.518 4.201 1.00 0.00 H new ATOM 0 HA VAL A 74 2.141 5.644 2.458 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.183 4.830 2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.976 6.200 1.424 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.337 6.920 2.920 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.864 7.586 1.339 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.523 4.842 -0.029 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.659 6.164 -0.182 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.181 4.566 0.402 1.00 0.00 H new ATOM 1205 N THR A 75 2.563 7.404 0.674 1.00 0.00 N ATOM 1206 CA THR A 75 3.022 8.503 -0.166 1.00 0.00 C ATOM 1207 C THR A 75 3.529 7.987 -1.509 1.00 0.00 C ATOM 1208 O THR A 75 3.659 6.780 -1.713 1.00 0.00 O ATOM 1209 CB THR A 75 4.126 9.288 0.543 1.00 0.00 C ATOM 1210 OG1 THR A 75 4.523 10.406 -0.230 1.00 0.00 O ATOM 1211 CG2 THR A 75 5.364 8.461 0.821 1.00 0.00 C ATOM 0 H THR A 75 2.943 6.492 0.420 1.00 0.00 H new ATOM 0 HA THR A 75 2.176 9.165 -0.349 1.00 0.00 H new ATOM 0 HB THR A 75 3.693 9.599 1.494 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.229 10.896 0.242 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.108 9.078 1.325 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.102 7.616 1.457 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.775 8.093 -0.119 1.00 0.00 H new ATOM 1219 N GLU A 76 3.816 8.910 -2.421 1.00 0.00 N ATOM 1220 CA GLU A 76 4.308 8.550 -3.745 1.00 0.00 C ATOM 1221 C GLU A 76 5.821 8.356 -3.726 1.00 0.00 C ATOM 1222 O GLU A 76 6.571 9.270 -3.383 1.00 0.00 O ATOM 1223 CB GLU A 76 3.933 9.627 -4.763 1.00 0.00 C ATOM 1224 CG GLU A 76 4.289 11.036 -4.317 1.00 0.00 C ATOM 1225 CD GLU A 76 4.197 12.045 -5.444 1.00 0.00 C ATOM 1226 OE1 GLU A 76 3.064 12.375 -5.856 1.00 0.00 O ATOM 1227 OE2 GLU A 76 5.257 12.507 -5.916 1.00 0.00 O ATOM 0 H GLU A 76 3.716 9.913 -2.267 1.00 0.00 H new ATOM 0 HA GLU A 76 3.841 7.609 -4.036 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.437 9.415 -5.706 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.861 9.576 -4.956 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.622 11.337 -3.510 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.301 11.040 -3.912 1.00 0.00 H new ATOM 1234 N ALA A 77 6.264 7.159 -4.099 1.00 0.00 N ATOM 1235 CA ALA A 77 7.688 6.847 -4.126 1.00 0.00 C ATOM 1236 C ALA A 77 8.383 7.549 -5.286 1.00 0.00 C ATOM 1237 O ALA A 77 7.673 8.081 -6.166 1.00 0.00 O ATOM 1238 CB ALA A 77 7.896 5.342 -4.216 1.00 0.00 C ATOM 0 H ALA A 77 5.658 6.391 -4.386 1.00 0.00 H new ATOM 0 HA ALA A 77 8.132 7.210 -3.199 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.964 5.123 -4.235 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.442 4.860 -3.350 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.431 4.964 -5.127 1.00 0.00 H new TER 1244 ALA A 77