USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 816 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 23 ASN : amide:sc= 0.0525 K(o=0.11,f=-0.55) USER MOD Set 1.2: A 84 LYS NZ :NH3+ -145:sc= 0.0574 (180deg=-0.36) USER MOD Set 2.1: A 37 MET CE :methyl 151:sc= -0.353 (180deg=-1.27!) USER MOD Set 2.2: A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ -149:sc= 0.0416 (180deg=0) USER MOD Single : A 1 SER OG : rot 166:sc= -0.712 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -6.96! C(o=-7!,f=-13!) USER MOD Single : A 8 LYS NZ :NH3+ 158:sc= -0.0259 (180deg=-0.223) USER MOD Single : A 12 SER OG : rot -101:sc= 1.17 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -1.18 K(o=-1.2,f=-3.4!) USER MOD Single : A 25 GLN :FLIP amide:sc= -1.05 F(o=-1.7,f=-1.1) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot -170:sc= -0.275 USER MOD Single : A 39 THR OG1 : rot 72:sc= 0.339 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.846 K(o=-0.85,f=-7.1!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 165:sc= -0.0605 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.12) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -164:sc= -0.977 (180deg=-1.08) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN :FLIP amide:sc= -0.439 F(o=-1.2,f=-0.44) USER MOD Single : A 75 ASN : amide:sc= 1.28 K(o=1.3,f=-0.25) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 1.06 K(o=1.1,f=-0.25) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 82:sc= 0.448 USER MOD Single : A 92 HIS :FLIP no HE2:sc= -2.17 F(o=-4.8,f=-2.2) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -1.45 X(o=-1.5,f=-1.4) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -2.687 25.401 -14.347 1.00 0.00 N ATOM 2 CA SER A 1 -3.116 25.429 -12.925 1.00 0.00 C ATOM 3 C SER A 1 -2.066 26.106 -12.049 1.00 0.00 C ATOM 4 O SER A 1 -1.071 26.627 -12.551 1.00 0.00 O ATOM 5 CB SER A 1 -3.348 23.990 -12.459 1.00 0.00 C ATOM 6 OG SER A 1 -4.515 23.892 -11.662 1.00 0.00 O ATOM 0 H1 SER A 1 -3.524 25.447 -14.963 1.00 0.00 H new ATOM 0 H2 SER A 1 -2.070 26.216 -14.540 1.00 0.00 H new ATOM 0 H3 SER A 1 -2.167 24.520 -14.535 1.00 0.00 H new ATOM 0 HA SER A 1 -4.037 26.005 -12.837 1.00 0.00 H new ATOM 0 HB2 SER A 1 -3.440 23.335 -13.325 1.00 0.00 H new ATOM 0 HB3 SER A 1 -2.485 23.646 -11.889 1.00 0.00 H new ATOM 0 HG SER A 1 -4.767 22.950 -11.565 1.00 0.00 H new ATOM 14 N ALA A 2 -2.294 26.098 -10.740 1.00 0.00 N ATOM 15 CA ALA A 2 -1.363 26.715 -9.802 1.00 0.00 C ATOM 16 C ALA A 2 -1.393 26.018 -8.446 1.00 0.00 C ATOM 17 O ALA A 2 -1.079 26.624 -7.422 1.00 0.00 O ATOM 18 CB ALA A 2 -1.679 28.193 -9.641 1.00 0.00 C ATOM 0 H ALA A 2 -3.113 25.672 -10.305 1.00 0.00 H new ATOM 0 HA ALA A 2 -0.358 26.608 -10.211 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -0.976 28.641 -8.938 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -1.593 28.691 -10.607 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -2.695 28.309 -9.262 1.00 0.00 H new ATOM 24 N LEU A 3 -1.766 24.743 -8.444 1.00 0.00 N ATOM 25 CA LEU A 3 -1.829 23.969 -7.208 1.00 0.00 C ATOM 26 C LEU A 3 -0.453 23.879 -6.553 1.00 0.00 C ATOM 27 O LEU A 3 -0.349 23.745 -5.335 1.00 0.00 O ATOM 28 CB LEU A 3 -2.366 22.563 -7.487 1.00 0.00 C ATOM 29 CG LEU A 3 -1.846 21.913 -8.773 1.00 0.00 C ATOM 30 CD1 LEU A 3 -1.357 20.499 -8.502 1.00 0.00 C ATOM 31 CD2 LEU A 3 -2.926 21.909 -9.845 1.00 0.00 C ATOM 0 H LEU A 3 -2.029 24.224 -9.282 1.00 0.00 H new ATOM 0 HA LEU A 3 -2.506 24.479 -6.523 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -2.112 21.920 -6.645 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -3.454 22.609 -7.536 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.003 22.502 -9.136 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.992 20.056 -9.429 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.549 20.527 -7.771 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.179 19.898 -8.112 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.538 21.443 -10.751 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.789 21.347 -9.489 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -3.225 22.934 -10.064 1.00 0.00 H new ATOM 43 N LEU A 4 0.591 23.938 -7.386 1.00 0.00 N ATOM 44 CA LEU A 4 1.990 23.853 -6.940 1.00 0.00 C ATOM 45 C LEU A 4 2.524 22.438 -7.131 1.00 0.00 C ATOM 46 O LEU A 4 2.031 21.490 -6.524 1.00 0.00 O ATOM 47 CB LEU A 4 2.164 24.282 -5.475 1.00 0.00 C ATOM 48 CG LEU A 4 1.628 25.675 -5.134 1.00 0.00 C ATOM 49 CD1 LEU A 4 0.880 25.652 -3.807 1.00 0.00 C ATOM 50 CD2 LEU A 4 2.768 26.685 -5.092 1.00 0.00 C ATOM 0 H LEU A 4 0.491 24.047 -8.395 1.00 0.00 H new ATOM 0 HA LEU A 4 2.562 24.547 -7.556 1.00 0.00 H new ATOM 0 HB2 LEU A 4 1.664 23.552 -4.838 1.00 0.00 H new ATOM 0 HB3 LEU A 4 3.225 24.248 -5.227 1.00 0.00 H new ATOM 0 HG LEU A 4 0.928 25.977 -5.913 1.00 0.00 H new ATOM 0 HD11 LEU A 4 0.507 26.651 -3.582 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.042 24.958 -3.874 1.00 0.00 H new ATOM 0 HD13 LEU A 4 1.555 25.330 -3.014 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.372 27.671 -4.848 1.00 0.00 H new ATOM 0 HD22 LEU A 4 3.491 26.387 -4.333 1.00 0.00 H new ATOM 0 HD23 LEU A 4 3.258 26.721 -6.065 1.00 0.00 H new ATOM 62 N LYS A 5 3.537 22.308 -7.982 1.00 0.00 N ATOM 63 CA LYS A 5 4.146 21.010 -8.264 1.00 0.00 C ATOM 64 C LYS A 5 4.493 20.272 -6.975 1.00 0.00 C ATOM 65 O LYS A 5 4.476 19.047 -6.927 1.00 0.00 O ATOM 66 CB LYS A 5 5.404 21.192 -9.115 1.00 0.00 C ATOM 67 CG LYS A 5 5.169 21.992 -10.387 1.00 0.00 C ATOM 68 CD LYS A 5 5.575 23.448 -10.217 1.00 0.00 C ATOM 69 CE LYS A 5 6.287 23.973 -11.453 1.00 0.00 C ATOM 70 NZ LYS A 5 7.729 23.602 -11.460 1.00 0.00 N ATOM 0 H LYS A 5 3.955 23.087 -8.490 1.00 0.00 H new ATOM 0 HA LYS A 5 3.421 20.411 -8.815 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.167 21.691 -8.518 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.798 20.211 -9.380 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.736 21.549 -11.206 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.116 21.937 -10.662 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.690 24.053 -10.020 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.228 23.546 -9.350 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.805 23.576 -12.346 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.191 25.058 -11.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.180 23.978 -12.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.195 24.002 -10.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.821 22.566 -11.446 1.00 0.00 H new ATOM 84 N ALA A 6 4.819 21.032 -5.938 1.00 0.00 N ATOM 85 CA ALA A 6 5.182 20.457 -4.645 1.00 0.00 C ATOM 86 C ALA A 6 4.141 19.449 -4.159 1.00 0.00 C ATOM 87 O ALA A 6 4.484 18.414 -3.581 1.00 0.00 O ATOM 88 CB ALA A 6 5.368 21.562 -3.616 1.00 0.00 C ATOM 0 H ALA A 6 4.840 22.051 -5.965 1.00 0.00 H new ATOM 0 HA ALA A 6 6.122 19.921 -4.772 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.638 21.123 -2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.161 22.235 -3.944 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.438 22.121 -3.510 1.00 0.00 H new ATOM 94 N ASN A 7 2.867 19.750 -4.397 1.00 0.00 N ATOM 95 CA ASN A 7 1.786 18.864 -3.975 1.00 0.00 C ATOM 96 C ASN A 7 1.709 17.621 -4.862 1.00 0.00 C ATOM 97 O ASN A 7 1.595 16.501 -4.365 1.00 0.00 O ATOM 98 CB ASN A 7 0.446 19.619 -3.970 1.00 0.00 C ATOM 99 CG ASN A 7 -0.313 19.510 -5.281 1.00 0.00 C ATOM 100 OD1 ASN A 7 0.198 19.869 -6.339 1.00 0.00 O ATOM 101 ND2 ASN A 7 -1.543 19.010 -5.212 1.00 0.00 N ATOM 0 H ASN A 7 2.559 20.596 -4.877 1.00 0.00 H new ATOM 0 HA ASN A 7 1.998 18.530 -2.959 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -0.178 19.232 -3.164 1.00 0.00 H new ATOM 0 HB3 ASN A 7 0.631 20.671 -3.752 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -2.102 18.912 -6.060 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -1.928 18.724 -4.312 1.00 0.00 H new ATOM 108 N LYS A 8 1.775 17.824 -6.173 1.00 0.00 N ATOM 109 CA LYS A 8 1.713 16.715 -7.120 1.00 0.00 C ATOM 110 C LYS A 8 2.948 15.829 -6.998 1.00 0.00 C ATOM 111 O LYS A 8 2.887 14.625 -7.242 1.00 0.00 O ATOM 112 CB LYS A 8 1.581 17.243 -8.550 1.00 0.00 C ATOM 113 CG LYS A 8 0.503 16.541 -9.361 1.00 0.00 C ATOM 114 CD LYS A 8 1.071 15.371 -10.150 1.00 0.00 C ATOM 115 CE LYS A 8 0.758 14.043 -9.481 1.00 0.00 C ATOM 116 NZ LYS A 8 -0.696 13.723 -9.529 1.00 0.00 N ATOM 0 H LYS A 8 1.871 18.743 -6.604 1.00 0.00 H new ATOM 0 HA LYS A 8 0.835 16.114 -6.884 1.00 0.00 H new ATOM 0 HB2 LYS A 8 1.361 18.310 -8.516 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.538 17.131 -9.060 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.281 16.184 -8.693 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.040 17.252 -10.045 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.659 15.377 -11.159 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.151 15.486 -10.246 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.320 13.249 -9.971 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.088 14.073 -8.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.830 12.698 -9.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.187 14.222 -8.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.088 14.025 -10.444 1.00 0.00 H new ATOM 130 N ASP A 9 4.065 16.433 -6.608 1.00 0.00 N ATOM 131 CA ASP A 9 5.311 15.702 -6.443 1.00 0.00 C ATOM 132 C ASP A 9 5.244 14.830 -5.198 1.00 0.00 C ATOM 133 O ASP A 9 5.653 13.670 -5.216 1.00 0.00 O ATOM 134 CB ASP A 9 6.491 16.671 -6.343 1.00 0.00 C ATOM 135 CG ASP A 9 7.288 16.748 -7.630 1.00 0.00 C ATOM 136 OD1 ASP A 9 6.821 17.413 -8.577 1.00 0.00 O ATOM 137 OD2 ASP A 9 8.378 16.141 -7.690 1.00 0.00 O ATOM 0 H ASP A 9 4.131 17.429 -6.400 1.00 0.00 H new ATOM 0 HA ASP A 9 5.458 15.065 -7.315 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.121 17.664 -6.088 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.147 16.357 -5.531 1.00 0.00 H new ATOM 142 N LEU A 10 4.717 15.397 -4.119 1.00 0.00 N ATOM 143 CA LEU A 10 4.591 14.663 -2.869 1.00 0.00 C ATOM 144 C LEU A 10 3.587 13.521 -3.008 1.00 0.00 C ATOM 145 O LEU A 10 3.834 12.407 -2.540 1.00 0.00 O ATOM 146 CB LEU A 10 4.167 15.595 -1.734 1.00 0.00 C ATOM 147 CG LEU A 10 4.557 15.113 -0.336 1.00 0.00 C ATOM 148 CD1 LEU A 10 5.582 16.047 0.288 1.00 0.00 C ATOM 149 CD2 LEU A 10 3.328 14.995 0.554 1.00 0.00 C ATOM 0 H LEU A 10 4.373 16.356 -4.086 1.00 0.00 H new ATOM 0 HA LEU A 10 5.567 14.241 -2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.610 16.576 -1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.085 15.723 -1.771 1.00 0.00 H new ATOM 0 HG LEU A 10 5.008 14.125 -0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.846 15.686 1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.475 16.076 -0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.161 17.049 0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.627 14.651 1.544 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.845 15.969 0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.630 14.281 0.117 1.00 0.00 H new ATOM 161 N ILE A 11 2.454 13.798 -3.651 1.00 0.00 N ATOM 162 CA ILE A 11 1.422 12.783 -3.841 1.00 0.00 C ATOM 163 C ILE A 11 1.929 11.645 -4.724 1.00 0.00 C ATOM 164 O ILE A 11 1.825 10.473 -4.359 1.00 0.00 O ATOM 165 CB ILE A 11 0.143 13.385 -4.463 1.00 0.00 C ATOM 166 CG1 ILE A 11 -0.479 14.407 -3.510 1.00 0.00 C ATOM 167 CG2 ILE A 11 -0.862 12.290 -4.798 1.00 0.00 C ATOM 168 CD1 ILE A 11 -1.653 15.152 -4.107 1.00 0.00 C ATOM 0 H ILE A 11 2.229 14.711 -4.047 1.00 0.00 H new ATOM 0 HA ILE A 11 1.178 12.389 -2.855 1.00 0.00 H new ATOM 0 HB ILE A 11 0.417 13.891 -5.389 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.806 13.896 -2.604 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.284 15.126 -3.212 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.755 12.737 -5.235 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.418 11.595 -5.511 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.133 11.754 -3.888 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.044 15.860 -3.376 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.327 15.691 -4.996 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.434 14.442 -4.379 1.00 0.00 H new ATOM 180 N SER A 12 2.481 11.994 -5.881 1.00 0.00 N ATOM 181 CA SER A 12 3.005 10.993 -6.805 1.00 0.00 C ATOM 182 C SER A 12 4.219 10.296 -6.206 1.00 0.00 C ATOM 183 O SER A 12 4.388 9.089 -6.365 1.00 0.00 O ATOM 184 CB SER A 12 3.373 11.639 -8.141 1.00 0.00 C ATOM 185 OG SER A 12 4.296 12.698 -7.958 1.00 0.00 O ATOM 0 H SER A 12 2.577 12.958 -6.201 1.00 0.00 H new ATOM 0 HA SER A 12 2.228 10.249 -6.980 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.802 10.889 -8.805 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.473 12.017 -8.626 1.00 0.00 H new ATOM 0 HG SER A 12 3.821 13.555 -7.990 1.00 0.00 H new ATOM 191 N ALA A 13 5.059 11.056 -5.509 1.00 0.00 N ATOM 192 CA ALA A 13 6.244 10.487 -4.882 1.00 0.00 C ATOM 193 C ALA A 13 5.838 9.434 -3.865 1.00 0.00 C ATOM 194 O ALA A 13 6.511 8.417 -3.701 1.00 0.00 O ATOM 195 CB ALA A 13 7.079 11.576 -4.224 1.00 0.00 C ATOM 0 H ALA A 13 4.941 12.059 -5.366 1.00 0.00 H new ATOM 0 HA ALA A 13 6.854 10.014 -5.651 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.959 11.130 -3.761 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.392 12.300 -4.977 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.485 12.080 -3.462 1.00 0.00 H new ATOM 201 N GLY A 14 4.717 9.675 -3.197 1.00 0.00 N ATOM 202 CA GLY A 14 4.225 8.724 -2.227 1.00 0.00 C ATOM 203 C GLY A 14 3.628 7.512 -2.911 1.00 0.00 C ATOM 204 O GLY A 14 3.764 6.384 -2.431 1.00 0.00 O ATOM 0 H GLY A 14 4.143 10.510 -3.311 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.039 8.413 -1.572 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.473 9.198 -1.597 1.00 0.00 H new ATOM 208 N LEU A 15 2.970 7.747 -4.048 1.00 0.00 N ATOM 209 CA LEU A 15 2.359 6.663 -4.805 1.00 0.00 C ATOM 210 C LEU A 15 3.425 5.776 -5.437 1.00 0.00 C ATOM 211 O LEU A 15 3.289 4.554 -5.461 1.00 0.00 O ATOM 212 CB LEU A 15 1.451 7.242 -5.896 1.00 0.00 C ATOM 213 CG LEU A 15 -0.052 7.135 -5.626 1.00 0.00 C ATOM 214 CD1 LEU A 15 -0.726 8.486 -5.823 1.00 0.00 C ATOM 215 CD2 LEU A 15 -0.683 6.089 -6.534 1.00 0.00 C ATOM 0 H LEU A 15 2.849 8.673 -4.459 1.00 0.00 H new ATOM 0 HA LEU A 15 1.766 6.055 -4.122 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.704 8.293 -6.035 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.671 6.734 -6.835 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.195 6.825 -4.591 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.794 8.392 -5.627 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.293 9.212 -5.135 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.574 8.823 -6.848 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.752 6.026 -6.329 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.530 6.371 -7.576 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.220 5.120 -6.349 1.00 0.00 H new ATOM 227 N LYS A 16 4.483 6.394 -5.958 1.00 0.00 N ATOM 228 CA LYS A 16 5.557 5.648 -6.596 1.00 0.00 C ATOM 229 C LYS A 16 6.323 4.823 -5.567 1.00 0.00 C ATOM 230 O LYS A 16 6.489 3.615 -5.727 1.00 0.00 O ATOM 231 CB LYS A 16 6.505 6.610 -7.324 1.00 0.00 C ATOM 232 CG LYS A 16 7.335 7.471 -6.391 1.00 0.00 C ATOM 233 CD LYS A 16 8.195 8.463 -7.143 1.00 0.00 C ATOM 234 CE LYS A 16 7.360 9.386 -8.017 1.00 0.00 C ATOM 235 NZ LYS A 16 7.611 9.154 -9.467 1.00 0.00 N ATOM 0 H LYS A 16 4.616 7.405 -5.949 1.00 0.00 H new ATOM 0 HA LYS A 16 5.121 4.965 -7.325 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.174 6.033 -7.963 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.920 7.257 -7.977 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.674 8.008 -5.711 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.971 6.832 -5.779 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.770 9.057 -6.433 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.912 7.925 -7.763 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.303 9.231 -7.802 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.587 10.423 -7.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.023 9.802 -10.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.615 9.326 -9.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.370 8.171 -9.708 1.00 0.00 H new ATOM 249 N GLU A 17 6.784 5.483 -4.511 1.00 0.00 N ATOM 250 CA GLU A 17 7.531 4.811 -3.457 1.00 0.00 C ATOM 251 C GLU A 17 6.711 3.682 -2.845 1.00 0.00 C ATOM 252 O GLU A 17 7.249 2.632 -2.497 1.00 0.00 O ATOM 253 CB GLU A 17 7.935 5.815 -2.374 1.00 0.00 C ATOM 254 CG GLU A 17 9.428 5.833 -2.090 1.00 0.00 C ATOM 255 CD GLU A 17 9.926 4.525 -1.508 1.00 0.00 C ATOM 256 OE1 GLU A 17 9.693 4.284 -0.305 1.00 0.00 O ATOM 257 OE2 GLU A 17 10.547 3.741 -2.256 1.00 0.00 O ATOM 0 H GLU A 17 6.653 6.484 -4.363 1.00 0.00 H new ATOM 0 HA GLU A 17 8.431 4.381 -3.897 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.619 6.813 -2.679 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.401 5.579 -1.454 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.967 6.044 -3.013 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.653 6.644 -1.397 1.00 0.00 H new ATOM 264 N PHE A 18 5.407 3.905 -2.708 1.00 0.00 N ATOM 265 CA PHE A 18 4.521 2.904 -2.126 1.00 0.00 C ATOM 266 C PHE A 18 4.330 1.708 -3.056 1.00 0.00 C ATOM 267 O PHE A 18 4.359 0.558 -2.614 1.00 0.00 O ATOM 268 CB PHE A 18 3.164 3.520 -1.788 1.00 0.00 C ATOM 269 CG PHE A 18 2.240 2.568 -1.088 1.00 0.00 C ATOM 270 CD1 PHE A 18 2.675 1.850 0.015 1.00 0.00 C ATOM 271 CD2 PHE A 18 0.940 2.385 -1.533 1.00 0.00 C ATOM 272 CE1 PHE A 18 1.830 0.969 0.663 1.00 0.00 C ATOM 273 CE2 PHE A 18 0.092 1.505 -0.890 1.00 0.00 C ATOM 274 CZ PHE A 18 0.538 0.796 0.210 1.00 0.00 C ATOM 0 H PHE A 18 4.942 4.768 -2.991 1.00 0.00 H new ATOM 0 HA PHE A 18 4.993 2.547 -1.210 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.317 4.397 -1.158 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.691 3.866 -2.707 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.686 1.981 0.372 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.587 2.937 -2.392 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.180 0.417 1.523 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.919 1.371 -1.246 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.124 0.108 0.714 1.00 0.00 H new ATOM 284 N SER A 19 4.135 1.981 -4.341 1.00 0.00 N ATOM 285 CA SER A 19 3.934 0.919 -5.324 1.00 0.00 C ATOM 286 C SER A 19 5.187 0.066 -5.478 1.00 0.00 C ATOM 287 O SER A 19 5.109 -1.161 -5.531 1.00 0.00 O ATOM 288 CB SER A 19 3.540 1.517 -6.676 1.00 0.00 C ATOM 289 OG SER A 19 2.548 0.729 -7.313 1.00 0.00 O ATOM 0 H SER A 19 4.112 2.925 -4.727 1.00 0.00 H new ATOM 0 HA SER A 19 3.128 0.279 -4.966 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.167 2.531 -6.534 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.419 1.587 -7.316 1.00 0.00 H new ATOM 0 HG SER A 19 2.312 1.133 -8.174 1.00 0.00 H new ATOM 295 N VAL A 20 6.345 0.717 -5.529 1.00 0.00 N ATOM 296 CA VAL A 20 7.610 0.002 -5.655 1.00 0.00 C ATOM 297 C VAL A 20 7.966 -0.653 -4.330 1.00 0.00 C ATOM 298 O VAL A 20 8.635 -1.681 -4.291 1.00 0.00 O ATOM 299 CB VAL A 20 8.770 0.929 -6.075 1.00 0.00 C ATOM 300 CG1 VAL A 20 9.888 0.123 -6.718 1.00 0.00 C ATOM 301 CG2 VAL A 20 8.285 2.024 -7.014 1.00 0.00 C ATOM 0 H VAL A 20 6.434 1.732 -5.485 1.00 0.00 H new ATOM 0 HA VAL A 20 7.475 -0.748 -6.434 1.00 0.00 H new ATOM 0 HB VAL A 20 9.162 1.409 -5.178 1.00 0.00 H new ATOM 0 HG11 VAL A 20 10.698 0.792 -7.008 1.00 0.00 H new ATOM 0 HG12 VAL A 20 10.262 -0.613 -6.006 1.00 0.00 H new ATOM 0 HG13 VAL A 20 9.506 -0.389 -7.601 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.124 2.662 -7.293 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.858 1.573 -7.910 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.525 2.623 -6.512 1.00 0.00 H new ATOM 311 N LEU A 21 7.507 -0.035 -3.249 1.00 0.00 N ATOM 312 CA LEU A 21 7.761 -0.539 -1.905 1.00 0.00 C ATOM 313 C LEU A 21 7.117 -1.911 -1.707 1.00 0.00 C ATOM 314 O LEU A 21 7.733 -2.818 -1.149 1.00 0.00 O ATOM 315 CB LEU A 21 7.233 0.459 -0.864 1.00 0.00 C ATOM 316 CG LEU A 21 6.883 -0.127 0.511 1.00 0.00 C ATOM 317 CD1 LEU A 21 7.981 -1.062 0.997 1.00 0.00 C ATOM 318 CD2 LEU A 21 6.645 0.989 1.517 1.00 0.00 C ATOM 0 H LEU A 21 6.954 0.821 -3.278 1.00 0.00 H new ATOM 0 HA LEU A 21 8.837 -0.651 -1.774 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.982 1.239 -0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.343 0.940 -1.269 1.00 0.00 H new ATOM 0 HG LEU A 21 5.965 -0.707 0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.710 -1.465 1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.102 -1.881 0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.918 -0.511 1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.398 0.558 2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.546 1.595 1.608 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.820 1.615 1.177 1.00 0.00 H new ATOM 330 N LEU A 22 5.872 -2.054 -2.151 1.00 0.00 N ATOM 331 CA LEU A 22 5.155 -3.318 -2.003 1.00 0.00 C ATOM 332 C LEU A 22 5.517 -4.300 -3.105 1.00 0.00 C ATOM 333 O LEU A 22 5.856 -5.451 -2.835 1.00 0.00 O ATOM 334 CB LEU A 22 3.657 -3.063 -2.043 1.00 0.00 C ATOM 335 CG LEU A 22 3.135 -2.059 -1.013 1.00 0.00 C ATOM 336 CD1 LEU A 22 1.671 -1.742 -1.267 1.00 0.00 C ATOM 337 CD2 LEU A 22 3.333 -2.591 0.399 1.00 0.00 C ATOM 0 H LEU A 22 5.341 -1.316 -2.613 1.00 0.00 H new ATOM 0 HA LEU A 22 5.443 -3.752 -1.046 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.393 -2.707 -3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.140 -4.011 -1.896 1.00 0.00 H new ATOM 0 HG LEU A 22 3.705 -1.136 -1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.319 -1.026 -0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.559 -1.315 -2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.083 -2.657 -1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.956 -1.864 1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.790 -3.529 0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.395 -2.761 0.578 1.00 0.00 H new ATOM 349 N ASN A 23 5.466 -3.834 -4.342 1.00 0.00 N ATOM 350 CA ASN A 23 5.817 -4.679 -5.468 1.00 0.00 C ATOM 351 C ASN A 23 7.312 -4.962 -5.431 1.00 0.00 C ATOM 352 O ASN A 23 7.804 -5.866 -6.107 1.00 0.00 O ATOM 353 CB ASN A 23 5.435 -4.009 -6.791 1.00 0.00 C ATOM 354 CG ASN A 23 3.957 -4.145 -7.101 1.00 0.00 C ATOM 355 OD1 ASN A 23 3.407 -5.245 -7.089 1.00 0.00 O ATOM 356 ND2 ASN A 23 3.307 -3.022 -7.384 1.00 0.00 N ATOM 0 H ASN A 23 5.188 -2.884 -4.589 1.00 0.00 H new ATOM 0 HA ASN A 23 5.265 -5.616 -5.397 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.699 -2.952 -6.750 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.016 -4.451 -7.600 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.311 -3.050 -7.603 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.804 -2.131 -7.382 1.00 0.00 H new ATOM 363 N GLN A 24 8.024 -4.144 -4.648 1.00 0.00 N ATOM 364 CA GLN A 24 9.467 -4.223 -4.498 1.00 0.00 C ATOM 365 C GLN A 24 10.026 -5.585 -4.810 1.00 0.00 C ATOM 366 O GLN A 24 10.683 -5.763 -5.835 1.00 0.00 O ATOM 367 CB GLN A 24 9.883 -3.804 -3.085 1.00 0.00 C ATOM 368 CG GLN A 24 11.323 -3.325 -2.989 1.00 0.00 C ATOM 369 CD GLN A 24 11.607 -2.129 -3.876 1.00 0.00 C ATOM 370 OE1 GLN A 24 11.736 -2.261 -5.094 1.00 0.00 O ATOM 371 NE2 GLN A 24 11.709 -0.952 -3.270 1.00 0.00 N ATOM 0 H GLN A 24 7.600 -3.399 -4.095 1.00 0.00 H new ATOM 0 HA GLN A 24 9.886 -3.533 -5.230 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.221 -3.009 -2.742 1.00 0.00 H new ATOM 0 HB3 GLN A 24 9.744 -4.648 -2.410 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.546 -3.065 -1.954 1.00 0.00 H new ATOM 0 HG3 GLN A 24 11.991 -4.141 -3.263 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.595 -0.888 -2.258 1.00 0.00 H new ATOM 0 HE22 GLN A 24 11.901 -0.112 -3.816 1.00 0.00 H new ATOM 380 N GLN A 25 9.811 -6.546 -3.932 1.00 0.00 N ATOM 381 CA GLN A 25 10.352 -7.882 -4.139 1.00 0.00 C ATOM 382 C GLN A 25 9.943 -8.463 -5.480 1.00 0.00 C ATOM 383 O GLN A 25 8.886 -8.137 -6.018 1.00 0.00 O ATOM 384 CB GLN A 25 9.887 -8.833 -3.019 1.00 0.00 C ATOM 385 CG GLN A 25 9.486 -8.148 -1.712 1.00 0.00 C ATOM 386 CD GLN A 25 10.585 -7.268 -1.150 1.00 0.00 C ATOM 387 OE1 GLN A 25 10.204 -6.111 -0.620 1.00 0.00 O flip ATOM 388 NE2 GLN A 25 11.763 -7.625 -1.189 1.00 0.00 N flip ATOM 0 H GLN A 25 9.271 -6.432 -3.074 1.00 0.00 H new ATOM 0 HA GLN A 25 11.438 -7.787 -4.122 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.038 -9.411 -3.384 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.688 -9.541 -2.809 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.594 -7.544 -1.882 1.00 0.00 H new ATOM 0 HG3 GLN A 25 9.222 -8.907 -0.975 1.00 0.00 H new ATOM 0 HE21 GLN A 25 12.010 -8.523 -1.606 1.00 0.00 H new ATOM 0 HE22 GLN A 25 12.491 -7.023 -0.804 1.00 0.00 H new ATOM 397 N VAL A 26 10.777 -9.355 -5.992 1.00 0.00 N ATOM 398 CA VAL A 26 10.494 -10.024 -7.245 1.00 0.00 C ATOM 399 C VAL A 26 9.590 -11.215 -6.969 1.00 0.00 C ATOM 400 O VAL A 26 10.061 -12.312 -6.674 1.00 0.00 O ATOM 401 CB VAL A 26 11.788 -10.500 -7.941 1.00 0.00 C ATOM 402 CG1 VAL A 26 12.585 -11.423 -7.028 1.00 0.00 C ATOM 403 CG2 VAL A 26 11.469 -11.186 -9.263 1.00 0.00 C ATOM 0 H VAL A 26 11.657 -9.630 -5.555 1.00 0.00 H new ATOM 0 HA VAL A 26 10.002 -9.318 -7.914 1.00 0.00 H new ATOM 0 HB VAL A 26 12.401 -9.624 -8.154 1.00 0.00 H new ATOM 0 HG11 VAL A 26 13.492 -11.746 -7.539 1.00 0.00 H new ATOM 0 HG12 VAL A 26 12.853 -10.890 -6.116 1.00 0.00 H new ATOM 0 HG13 VAL A 26 11.981 -12.295 -6.775 1.00 0.00 H new ATOM 0 HG21 VAL A 26 12.395 -11.513 -9.736 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.830 -12.050 -9.080 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.953 -10.486 -9.921 1.00 0.00 H new ATOM 413 N PHE A 27 8.285 -10.975 -6.989 1.00 0.00 N ATOM 414 CA PHE A 27 7.326 -12.013 -6.653 1.00 0.00 C ATOM 415 C PHE A 27 7.420 -13.183 -7.629 1.00 0.00 C ATOM 416 O PHE A 27 7.156 -13.044 -8.822 1.00 0.00 O ATOM 417 CB PHE A 27 5.901 -11.442 -6.696 1.00 0.00 C ATOM 418 CG PHE A 27 5.519 -10.539 -5.548 1.00 0.00 C ATOM 419 CD1 PHE A 27 6.122 -9.294 -5.343 1.00 0.00 C ATOM 420 CD2 PHE A 27 4.512 -10.934 -4.683 1.00 0.00 C ATOM 421 CE1 PHE A 27 5.716 -8.482 -4.299 1.00 0.00 C ATOM 422 CE2 PHE A 27 4.112 -10.125 -3.639 1.00 0.00 C ATOM 423 CZ PHE A 27 4.712 -8.901 -3.447 1.00 0.00 C ATOM 0 H PHE A 27 7.871 -10.075 -7.233 1.00 0.00 H new ATOM 0 HA PHE A 27 7.556 -12.370 -5.649 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.781 -10.886 -7.626 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.198 -12.274 -6.729 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.910 -8.964 -6.004 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.032 -11.891 -4.828 1.00 0.00 H new ATOM 0 HE1 PHE A 27 6.184 -7.520 -4.150 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.328 -10.452 -2.972 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.398 -8.268 -2.630 1.00 0.00 H new ATOM 433 N ASN A 28 7.794 -14.345 -7.086 1.00 0.00 N ATOM 434 CA ASN A 28 7.928 -15.572 -7.866 1.00 0.00 C ATOM 435 C ASN A 28 7.275 -16.732 -7.122 1.00 0.00 C ATOM 436 O ASN A 28 6.256 -17.266 -7.558 1.00 0.00 O ATOM 437 CB ASN A 28 9.402 -15.886 -8.131 1.00 0.00 C ATOM 438 CG ASN A 28 9.622 -16.508 -9.497 1.00 0.00 C ATOM 439 OD1 ASN A 28 9.843 -15.806 -10.484 1.00 0.00 O ATOM 440 ND2 ASN A 28 9.564 -17.834 -9.560 1.00 0.00 N ATOM 0 H ASN A 28 8.011 -14.458 -6.096 1.00 0.00 H new ATOM 0 HA ASN A 28 7.428 -15.430 -8.824 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.986 -14.969 -8.054 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.771 -16.565 -7.362 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.705 -18.309 -10.452 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.378 -18.377 -8.717 1.00 0.00 H new ATOM 447 N ASP A 29 7.857 -17.100 -5.982 1.00 0.00 N ATOM 448 CA ASP A 29 7.311 -18.177 -5.161 1.00 0.00 C ATOM 449 C ASP A 29 7.092 -17.709 -3.720 1.00 0.00 C ATOM 450 O ASP A 29 8.004 -17.756 -2.892 1.00 0.00 O ATOM 451 CB ASP A 29 8.251 -19.386 -5.179 1.00 0.00 C ATOM 452 CG ASP A 29 9.693 -19.000 -4.920 1.00 0.00 C ATOM 453 OD1 ASP A 29 10.299 -18.346 -5.794 1.00 0.00 O ATOM 454 OD2 ASP A 29 10.218 -19.352 -3.842 1.00 0.00 O ATOM 0 H ASP A 29 8.703 -16.670 -5.608 1.00 0.00 H new ATOM 0 HA ASP A 29 6.347 -18.467 -5.580 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.929 -20.104 -4.425 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.179 -19.884 -6.146 1.00 0.00 H new ATOM 459 N ALA A 30 5.888 -17.215 -3.448 1.00 0.00 N ATOM 460 CA ALA A 30 5.546 -16.682 -2.129 1.00 0.00 C ATOM 461 C ALA A 30 5.372 -17.775 -1.078 1.00 0.00 C ATOM 462 O ALA A 30 4.270 -18.277 -0.858 1.00 0.00 O ATOM 463 CB ALA A 30 4.285 -15.837 -2.221 1.00 0.00 C ATOM 0 H ALA A 30 5.127 -17.172 -4.126 1.00 0.00 H new ATOM 0 HA ALA A 30 6.383 -16.063 -1.806 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.038 -15.444 -1.235 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.451 -15.009 -2.910 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.461 -16.451 -2.584 1.00 0.00 H new ATOM 469 N LEU A 31 6.477 -18.129 -0.428 1.00 0.00 N ATOM 470 CA LEU A 31 6.468 -19.154 0.612 1.00 0.00 C ATOM 471 C LEU A 31 6.239 -18.540 1.994 1.00 0.00 C ATOM 472 O LEU A 31 5.247 -18.837 2.659 1.00 0.00 O ATOM 473 CB LEU A 31 7.786 -19.933 0.602 1.00 0.00 C ATOM 474 CG LEU A 31 7.767 -21.234 -0.200 1.00 0.00 C ATOM 475 CD1 LEU A 31 6.812 -22.237 0.429 1.00 0.00 C ATOM 476 CD2 LEU A 31 7.381 -20.963 -1.647 1.00 0.00 C ATOM 0 H LEU A 31 7.394 -17.719 -0.604 1.00 0.00 H new ATOM 0 HA LEU A 31 5.645 -19.836 0.400 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.567 -19.288 0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.061 -20.163 1.631 1.00 0.00 H new ATOM 0 HG LEU A 31 8.770 -21.661 -0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.813 -23.156 -0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.133 -22.455 1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.805 -21.819 0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.373 -21.900 -2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.389 -20.512 -1.681 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.104 -20.282 -2.095 1.00 0.00 H new ATOM 488 N VAL A 32 7.184 -17.703 2.418 1.00 0.00 N ATOM 489 CA VAL A 32 7.141 -17.039 3.730 1.00 0.00 C ATOM 490 C VAL A 32 5.717 -16.736 4.209 1.00 0.00 C ATOM 491 O VAL A 32 4.791 -16.595 3.410 1.00 0.00 O ATOM 492 CB VAL A 32 7.950 -15.727 3.714 1.00 0.00 C ATOM 493 CG1 VAL A 32 7.330 -14.720 2.756 1.00 0.00 C ATOM 494 CG2 VAL A 32 8.058 -15.146 5.117 1.00 0.00 C ATOM 0 H VAL A 32 8.006 -17.462 1.864 1.00 0.00 H new ATOM 0 HA VAL A 32 7.586 -17.747 4.429 1.00 0.00 H new ATOM 0 HB VAL A 32 8.956 -15.952 3.361 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.918 -13.802 2.762 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.317 -15.136 1.749 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.310 -14.499 3.070 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.633 -14.220 5.084 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.060 -14.940 5.503 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.559 -15.861 5.769 1.00 0.00 H new ATOM 504 N SER A 33 5.566 -16.641 5.530 1.00 0.00 N ATOM 505 CA SER A 33 4.273 -16.362 6.157 1.00 0.00 C ATOM 506 C SER A 33 3.586 -15.150 5.534 1.00 0.00 C ATOM 507 O SER A 33 4.219 -14.130 5.264 1.00 0.00 O ATOM 508 CB SER A 33 4.454 -16.138 7.658 1.00 0.00 C ATOM 509 OG SER A 33 5.372 -15.087 7.910 1.00 0.00 O ATOM 0 H SER A 33 6.332 -16.755 6.193 1.00 0.00 H new ATOM 0 HA SER A 33 3.635 -17.230 5.989 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.492 -15.901 8.112 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.810 -17.056 8.126 1.00 0.00 H new ATOM 0 HG SER A 33 5.591 -15.066 8.865 1.00 0.00 H new ATOM 515 N GLU A 34 2.282 -15.280 5.312 1.00 0.00 N ATOM 516 CA GLU A 34 1.485 -14.211 4.724 1.00 0.00 C ATOM 517 C GLU A 34 1.217 -13.090 5.726 1.00 0.00 C ATOM 518 O GLU A 34 1.321 -11.909 5.394 1.00 0.00 O ATOM 519 CB GLU A 34 0.156 -14.766 4.207 1.00 0.00 C ATOM 520 CG GLU A 34 -0.705 -15.407 5.284 1.00 0.00 C ATOM 521 CD GLU A 34 -1.603 -14.408 5.986 1.00 0.00 C ATOM 522 OE1 GLU A 34 -1.900 -13.353 5.388 1.00 0.00 O ATOM 523 OE2 GLU A 34 -2.007 -14.679 7.137 1.00 0.00 O ATOM 0 H GLU A 34 1.752 -16.123 5.533 1.00 0.00 H new ATOM 0 HA GLU A 34 2.056 -13.795 3.894 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.406 -13.958 3.739 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.359 -15.504 3.431 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.318 -16.189 4.836 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.061 -15.890 6.019 1.00 0.00 H new ATOM 530 N GLU A 35 0.852 -13.471 6.943 1.00 0.00 N ATOM 531 CA GLU A 35 0.541 -12.508 7.997 1.00 0.00 C ATOM 532 C GLU A 35 1.678 -11.512 8.205 1.00 0.00 C ATOM 533 O GLU A 35 1.439 -10.313 8.362 1.00 0.00 O ATOM 534 CB GLU A 35 0.240 -13.238 9.309 1.00 0.00 C ATOM 535 CG GLU A 35 -1.226 -13.195 9.707 1.00 0.00 C ATOM 536 CD GLU A 35 -1.571 -11.968 10.528 1.00 0.00 C ATOM 537 OE1 GLU A 35 -0.979 -11.792 11.613 1.00 0.00 O ATOM 538 OE2 GLU A 35 -2.435 -11.182 10.086 1.00 0.00 O ATOM 0 H GLU A 35 0.763 -14.446 7.228 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.340 -11.949 7.682 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.552 -14.278 9.216 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.837 -12.796 10.106 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.843 -13.212 8.809 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.470 -14.091 10.278 1.00 0.00 H new ATOM 545 N ASP A 36 2.913 -12.003 8.211 1.00 0.00 N ATOM 546 CA ASP A 36 4.071 -11.136 8.409 1.00 0.00 C ATOM 547 C ASP A 36 4.097 -10.023 7.371 1.00 0.00 C ATOM 548 O ASP A 36 4.106 -8.838 7.714 1.00 0.00 O ATOM 549 CB ASP A 36 5.366 -11.948 8.344 1.00 0.00 C ATOM 550 CG ASP A 36 6.542 -11.211 8.954 1.00 0.00 C ATOM 551 OD1 ASP A 36 6.926 -10.154 8.412 1.00 0.00 O ATOM 552 OD2 ASP A 36 7.080 -11.692 9.974 1.00 0.00 O ATOM 0 H ASP A 36 3.138 -12.989 8.082 1.00 0.00 H new ATOM 0 HA ASP A 36 3.990 -10.684 9.398 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.224 -12.895 8.865 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.590 -12.187 7.304 1.00 0.00 H new ATOM 557 N MET A 37 4.084 -10.402 6.099 1.00 0.00 N ATOM 558 CA MET A 37 4.085 -9.424 5.023 1.00 0.00 C ATOM 559 C MET A 37 2.878 -8.508 5.168 1.00 0.00 C ATOM 560 O MET A 37 2.970 -7.294 4.970 1.00 0.00 O ATOM 561 CB MET A 37 4.056 -10.124 3.665 1.00 0.00 C ATOM 562 CG MET A 37 4.038 -9.167 2.485 1.00 0.00 C ATOM 563 SD MET A 37 5.641 -8.392 2.197 1.00 0.00 S ATOM 564 CE MET A 37 6.661 -9.831 1.886 1.00 0.00 C ATOM 0 H MET A 37 4.073 -11.374 5.790 1.00 0.00 H new ATOM 0 HA MET A 37 4.997 -8.830 5.083 1.00 0.00 H new ATOM 0 HB2 MET A 37 4.928 -10.773 3.582 1.00 0.00 H new ATOM 0 HB3 MET A 37 3.176 -10.765 3.615 1.00 0.00 H new ATOM 0 HG2 MET A 37 3.733 -9.707 1.589 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.291 -8.393 2.661 1.00 0.00 H new ATOM 0 HE1 MET A 37 7.480 -9.559 1.220 1.00 0.00 H new ATOM 0 HE2 MET A 37 7.066 -10.200 2.828 1.00 0.00 H new ATOM 0 HE3 MET A 37 6.058 -10.610 1.420 1.00 0.00 H new ATOM 574 N VAL A 38 1.735 -9.107 5.491 1.00 0.00 N ATOM 575 CA VAL A 38 0.504 -8.351 5.630 1.00 0.00 C ATOM 576 C VAL A 38 0.670 -7.236 6.655 1.00 0.00 C ATOM 577 O VAL A 38 0.278 -6.096 6.394 1.00 0.00 O ATOM 578 CB VAL A 38 -0.659 -9.271 6.055 1.00 0.00 C ATOM 579 CG1 VAL A 38 -1.933 -8.476 6.291 1.00 0.00 C ATOM 580 CG2 VAL A 38 -0.886 -10.354 5.011 1.00 0.00 C ATOM 0 H VAL A 38 1.640 -10.108 5.660 1.00 0.00 H new ATOM 0 HA VAL A 38 0.273 -7.912 4.659 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.386 -9.747 6.997 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.734 -9.152 6.589 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.764 -7.744 7.080 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.216 -7.961 5.373 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.710 -10.995 5.325 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.130 -9.892 4.054 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.019 -10.952 4.904 1.00 0.00 H new ATOM 590 N THR A 39 1.266 -7.530 7.813 1.00 0.00 N ATOM 591 CA THR A 39 1.469 -6.497 8.816 1.00 0.00 C ATOM 592 C THR A 39 2.396 -5.427 8.265 1.00 0.00 C ATOM 593 O THR A 39 2.217 -4.238 8.523 1.00 0.00 O ATOM 594 CB THR A 39 2.056 -7.101 10.093 1.00 0.00 C ATOM 595 OG1 THR A 39 1.281 -8.204 10.527 1.00 0.00 O ATOM 596 CG2 THR A 39 2.134 -6.117 11.240 1.00 0.00 C ATOM 0 H THR A 39 1.608 -8.456 8.071 1.00 0.00 H new ATOM 0 HA THR A 39 0.508 -6.046 9.061 1.00 0.00 H new ATOM 0 HB THR A 39 3.068 -7.407 9.829 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.421 -8.961 9.921 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.559 -6.610 12.114 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.765 -5.275 10.955 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.134 -5.756 11.478 1.00 0.00 H new ATOM 604 N VAL A 40 3.385 -5.863 7.488 1.00 0.00 N ATOM 605 CA VAL A 40 4.336 -4.944 6.881 1.00 0.00 C ATOM 606 C VAL A 40 3.604 -3.918 6.019 1.00 0.00 C ATOM 607 O VAL A 40 3.983 -2.748 5.974 1.00 0.00 O ATOM 608 CB VAL A 40 5.376 -5.687 6.021 1.00 0.00 C ATOM 609 CG1 VAL A 40 6.429 -4.723 5.504 1.00 0.00 C ATOM 610 CG2 VAL A 40 6.024 -6.810 6.817 1.00 0.00 C ATOM 0 H VAL A 40 3.546 -6.845 7.266 1.00 0.00 H new ATOM 0 HA VAL A 40 4.861 -4.437 7.690 1.00 0.00 H new ATOM 0 HB VAL A 40 4.863 -6.125 5.165 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.154 -5.267 4.899 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.952 -3.955 4.895 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.938 -4.254 6.346 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.756 -7.323 6.193 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.522 -6.395 7.693 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.259 -7.518 7.136 1.00 0.00 H new ATOM 620 N VAL A 41 2.542 -4.362 5.347 1.00 0.00 N ATOM 621 CA VAL A 41 1.754 -3.470 4.502 1.00 0.00 C ATOM 622 C VAL A 41 0.958 -2.484 5.350 1.00 0.00 C ATOM 623 O VAL A 41 0.954 -1.283 5.080 1.00 0.00 O ATOM 624 CB VAL A 41 0.764 -4.239 3.599 1.00 0.00 C ATOM 625 CG1 VAL A 41 0.074 -3.284 2.636 1.00 0.00 C ATOM 626 CG2 VAL A 41 1.466 -5.349 2.837 1.00 0.00 C ATOM 0 H VAL A 41 2.211 -5.326 5.372 1.00 0.00 H new ATOM 0 HA VAL A 41 2.468 -2.940 3.871 1.00 0.00 H new ATOM 0 HB VAL A 41 0.009 -4.697 4.238 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.620 -3.841 2.007 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.473 -2.530 3.201 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.821 -2.797 2.009 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.744 -5.873 2.210 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.249 -4.921 2.210 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.910 -6.051 3.543 1.00 0.00 H new ATOM 636 N GLU A 42 0.283 -2.996 6.376 1.00 0.00 N ATOM 637 CA GLU A 42 -0.514 -2.150 7.258 1.00 0.00 C ATOM 638 C GLU A 42 0.367 -1.121 7.957 1.00 0.00 C ATOM 639 O GLU A 42 0.012 0.052 8.053 1.00 0.00 O ATOM 640 CB GLU A 42 -1.251 -3.002 8.295 1.00 0.00 C ATOM 641 CG GLU A 42 -2.721 -3.221 7.971 1.00 0.00 C ATOM 642 CD GLU A 42 -3.547 -3.551 9.200 1.00 0.00 C ATOM 643 OE1 GLU A 42 -3.619 -4.744 9.564 1.00 0.00 O ATOM 644 OE2 GLU A 42 -4.120 -2.617 9.799 1.00 0.00 O ATOM 0 H GLU A 42 0.272 -3.987 6.616 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.249 -1.623 6.650 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.757 -3.970 8.374 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.170 -2.522 9.270 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.122 -2.325 7.498 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.813 -4.031 7.248 1.00 0.00 H new ATOM 651 N ASP A 43 1.518 -1.568 8.446 1.00 0.00 N ATOM 652 CA ASP A 43 2.446 -0.682 9.136 1.00 0.00 C ATOM 653 C ASP A 43 2.973 0.392 8.190 1.00 0.00 C ATOM 654 O ASP A 43 3.018 1.571 8.538 1.00 0.00 O ATOM 655 CB ASP A 43 3.613 -1.483 9.717 1.00 0.00 C ATOM 656 CG ASP A 43 4.101 -0.919 11.037 1.00 0.00 C ATOM 657 OD1 ASP A 43 4.872 0.063 11.014 1.00 0.00 O ATOM 658 OD2 ASP A 43 3.711 -1.458 12.094 1.00 0.00 O ATOM 0 H ASP A 43 1.830 -2.537 8.377 1.00 0.00 H new ATOM 0 HA ASP A 43 1.909 -0.195 9.950 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.304 -2.519 9.860 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.436 -1.491 9.002 1.00 0.00 H new ATOM 663 N TRP A 44 3.381 -0.027 6.995 1.00 0.00 N ATOM 664 CA TRP A 44 3.915 0.906 6.011 1.00 0.00 C ATOM 665 C TRP A 44 2.889 1.983 5.668 1.00 0.00 C ATOM 666 O TRP A 44 3.205 3.172 5.659 1.00 0.00 O ATOM 667 CB TRP A 44 4.316 0.155 4.738 1.00 0.00 C ATOM 668 CG TRP A 44 5.657 -0.507 4.829 1.00 0.00 C ATOM 669 CD1 TRP A 44 6.678 -0.173 5.667 1.00 0.00 C ATOM 670 CD2 TRP A 44 6.122 -1.617 4.053 1.00 0.00 C ATOM 671 NE1 TRP A 44 7.753 -1.003 5.458 1.00 0.00 N ATOM 672 CE2 TRP A 44 7.436 -1.899 4.472 1.00 0.00 C ATOM 673 CE3 TRP A 44 5.553 -2.400 3.045 1.00 0.00 C ATOM 674 CZ2 TRP A 44 8.190 -2.929 3.916 1.00 0.00 C ATOM 675 CZ3 TRP A 44 6.302 -3.423 2.494 1.00 0.00 C ATOM 676 CH2 TRP A 44 7.608 -3.680 2.930 1.00 0.00 C ATOM 0 H TRP A 44 3.352 -0.999 6.688 1.00 0.00 H new ATOM 0 HA TRP A 44 4.793 1.387 6.442 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.561 -0.600 4.519 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.321 0.853 3.901 1.00 0.00 H new ATOM 0 HD1 TRP A 44 6.647 0.628 6.391 1.00 0.00 H new ATOM 0 HE1 TRP A 44 8.642 -0.959 5.956 1.00 0.00 H new ATOM 0 HE3 TRP A 44 4.547 -2.209 2.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 9.197 -3.128 4.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 5.873 -4.034 1.714 1.00 0.00 H new ATOM 0 HH2 TRP A 44 8.167 -4.487 2.479 1.00 0.00 H new ATOM 687 N MET A 45 1.667 1.558 5.362 1.00 0.00 N ATOM 688 CA MET A 45 0.608 2.489 4.993 1.00 0.00 C ATOM 689 C MET A 45 0.281 3.465 6.120 1.00 0.00 C ATOM 690 O MET A 45 0.087 4.655 5.875 1.00 0.00 O ATOM 691 CB MET A 45 -0.649 1.722 4.554 1.00 0.00 C ATOM 692 CG MET A 45 -1.640 1.442 5.674 1.00 0.00 C ATOM 693 SD MET A 45 -2.801 0.126 5.259 1.00 0.00 S ATOM 694 CE MET A 45 -4.346 1.031 5.250 1.00 0.00 C ATOM 0 H MET A 45 1.387 0.577 5.362 1.00 0.00 H new ATOM 0 HA MET A 45 0.972 3.082 4.154 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.153 2.292 3.774 1.00 0.00 H new ATOM 0 HB3 MET A 45 -0.344 0.774 4.110 1.00 0.00 H new ATOM 0 HG2 MET A 45 -1.094 1.169 6.577 1.00 0.00 H new ATOM 0 HG3 MET A 45 -2.194 2.353 5.900 1.00 0.00 H new ATOM 0 HE1 MET A 45 -5.164 0.352 5.008 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.517 1.469 6.233 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.299 1.823 4.503 1.00 0.00 H new ATOM 704 N ASN A 46 0.222 2.970 7.348 1.00 0.00 N ATOM 705 CA ASN A 46 -0.082 3.825 8.490 1.00 0.00 C ATOM 706 C ASN A 46 1.060 4.801 8.741 1.00 0.00 C ATOM 707 O ASN A 46 0.837 5.989 8.970 1.00 0.00 O ATOM 708 CB ASN A 46 -0.334 2.975 9.737 1.00 0.00 C ATOM 709 CG ASN A 46 -1.626 2.187 9.647 1.00 0.00 C ATOM 710 OD1 ASN A 46 -2.078 1.837 8.556 1.00 0.00 O ATOM 711 ND2 ASN A 46 -2.229 1.902 10.796 1.00 0.00 N ATOM 0 H ASN A 46 0.379 1.989 7.580 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.984 4.394 8.266 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.499 2.287 9.879 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.366 3.622 10.614 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -3.101 1.374 10.797 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -1.819 2.212 11.677 1.00 0.00 H new ATOM 718 N PHE A 47 2.285 4.292 8.688 1.00 0.00 N ATOM 719 CA PHE A 47 3.465 5.119 8.900 1.00 0.00 C ATOM 720 C PHE A 47 3.506 6.257 7.888 1.00 0.00 C ATOM 721 O PHE A 47 3.918 7.374 8.207 1.00 0.00 O ATOM 722 CB PHE A 47 4.733 4.270 8.787 1.00 0.00 C ATOM 723 CG PHE A 47 6.003 5.049 8.984 1.00 0.00 C ATOM 724 CD1 PHE A 47 6.500 5.855 7.972 1.00 0.00 C ATOM 725 CD2 PHE A 47 6.699 4.973 10.179 1.00 0.00 C ATOM 726 CE1 PHE A 47 7.669 6.572 8.149 1.00 0.00 C ATOM 727 CE2 PHE A 47 7.869 5.686 10.362 1.00 0.00 C ATOM 728 CZ PHE A 47 8.355 6.487 9.346 1.00 0.00 C ATOM 0 H PHE A 47 2.486 3.310 8.500 1.00 0.00 H new ATOM 0 HA PHE A 47 3.414 5.545 9.902 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.690 3.470 9.526 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.756 3.797 7.805 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.968 5.924 7.035 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.323 4.350 10.977 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.046 7.198 7.353 1.00 0.00 H new ATOM 0 HE2 PHE A 47 8.403 5.617 11.298 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.269 7.045 9.487 1.00 0.00 H new ATOM 738 N TYR A 48 3.071 5.967 6.667 1.00 0.00 N ATOM 739 CA TYR A 48 3.056 6.967 5.609 1.00 0.00 C ATOM 740 C TYR A 48 1.972 8.007 5.864 1.00 0.00 C ATOM 741 O TYR A 48 2.212 9.207 5.738 1.00 0.00 O ATOM 742 CB TYR A 48 2.836 6.302 4.249 1.00 0.00 C ATOM 743 CG TYR A 48 4.121 5.905 3.560 1.00 0.00 C ATOM 744 CD1 TYR A 48 5.120 6.841 3.322 1.00 0.00 C ATOM 745 CD2 TYR A 48 4.337 4.595 3.152 1.00 0.00 C ATOM 746 CE1 TYR A 48 6.298 6.482 2.695 1.00 0.00 C ATOM 747 CE2 TYR A 48 5.513 4.229 2.525 1.00 0.00 C ATOM 748 CZ TYR A 48 6.490 5.176 2.299 1.00 0.00 C ATOM 749 OH TYR A 48 7.662 4.815 1.676 1.00 0.00 O ATOM 0 H TYR A 48 2.725 5.049 6.387 1.00 0.00 H new ATOM 0 HA TYR A 48 4.023 7.470 5.603 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.215 5.416 4.382 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.283 6.985 3.604 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.974 7.865 3.632 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.574 3.851 3.327 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.065 7.221 2.516 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.666 3.206 2.213 1.00 0.00 H new ATOM 0 HH TYR A 48 7.638 3.859 1.463 1.00 0.00 H new ATOM 759 N ILE A 49 0.777 7.542 6.211 1.00 0.00 N ATOM 760 CA ILE A 49 -0.341 8.440 6.471 1.00 0.00 C ATOM 761 C ILE A 49 -0.003 9.450 7.572 1.00 0.00 C ATOM 762 O ILE A 49 -0.224 10.650 7.406 1.00 0.00 O ATOM 763 CB ILE A 49 -1.635 7.654 6.819 1.00 0.00 C ATOM 764 CG1 ILE A 49 -2.837 8.287 6.119 1.00 0.00 C ATOM 765 CG2 ILE A 49 -1.874 7.581 8.324 1.00 0.00 C ATOM 766 CD1 ILE A 49 -2.898 7.986 4.637 1.00 0.00 C ATOM 0 H ILE A 49 0.558 6.552 6.318 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.527 8.996 5.552 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.506 6.632 6.462 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.752 7.931 6.592 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.804 9.367 6.262 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.789 7.023 8.520 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.033 7.079 8.802 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.971 8.589 8.726 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.776 8.466 4.204 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.999 8.366 4.151 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.963 6.908 4.487 1.00 0.00 H new ATOM 778 N ASN A 50 0.528 8.964 8.693 1.00 0.00 N ATOM 779 CA ASN A 50 0.884 9.839 9.806 1.00 0.00 C ATOM 780 C ASN A 50 2.034 10.769 9.427 1.00 0.00 C ATOM 781 O ASN A 50 2.004 11.964 9.721 1.00 0.00 O ATOM 782 CB ASN A 50 1.265 9.010 11.035 1.00 0.00 C ATOM 783 CG ASN A 50 0.314 9.227 12.196 1.00 0.00 C ATOM 784 OD1 ASN A 50 0.532 10.100 13.037 1.00 0.00 O ATOM 785 ND2 ASN A 50 -0.747 8.431 12.250 1.00 0.00 N ATOM 0 H ASN A 50 0.720 7.975 8.853 1.00 0.00 H new ATOM 0 HA ASN A 50 0.013 10.450 10.045 1.00 0.00 H new ATOM 0 HB2 ASN A 50 1.274 7.953 10.769 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.277 9.269 11.345 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -1.420 8.530 13.010 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.889 7.721 11.532 1.00 0.00 H new ATOM 792 N TYR A 51 3.052 10.217 8.778 1.00 0.00 N ATOM 793 CA TYR A 51 4.206 11.007 8.367 1.00 0.00 C ATOM 794 C TYR A 51 3.817 12.023 7.297 1.00 0.00 C ATOM 795 O TYR A 51 4.447 13.073 7.167 1.00 0.00 O ATOM 796 CB TYR A 51 5.315 10.096 7.839 1.00 0.00 C ATOM 797 CG TYR A 51 6.699 10.689 7.972 1.00 0.00 C ATOM 798 CD1 TYR A 51 7.131 11.689 7.109 1.00 0.00 C ATOM 799 CD2 TYR A 51 7.571 10.254 8.962 1.00 0.00 C ATOM 800 CE1 TYR A 51 8.394 12.237 7.229 1.00 0.00 C ATOM 801 CE2 TYR A 51 8.836 10.797 9.087 1.00 0.00 C ATOM 802 CZ TYR A 51 9.243 11.788 8.219 1.00 0.00 C ATOM 803 OH TYR A 51 10.501 12.332 8.341 1.00 0.00 O ATOM 0 H TYR A 51 3.102 9.230 8.526 1.00 0.00 H new ATOM 0 HA TYR A 51 4.573 11.546 9.240 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.282 9.148 8.376 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.123 9.874 6.789 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.469 12.043 6.332 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.256 9.479 9.645 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.715 13.014 6.550 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.503 10.447 9.861 1.00 0.00 H new ATOM 0 HH TYR A 51 10.971 11.906 9.088 1.00 0.00 H new ATOM 813 N TYR A 52 2.782 11.700 6.527 1.00 0.00 N ATOM 814 CA TYR A 52 2.317 12.578 5.461 1.00 0.00 C ATOM 815 C TYR A 52 1.356 13.644 5.984 1.00 0.00 C ATOM 816 O TYR A 52 1.426 14.803 5.576 1.00 0.00 O ATOM 817 CB TYR A 52 1.642 11.759 4.359 1.00 0.00 C ATOM 818 CG TYR A 52 2.615 11.204 3.341 1.00 0.00 C ATOM 819 CD1 TYR A 52 3.603 12.010 2.789 1.00 0.00 C ATOM 820 CD2 TYR A 52 2.547 9.877 2.936 1.00 0.00 C ATOM 821 CE1 TYR A 52 4.496 11.508 1.861 1.00 0.00 C ATOM 822 CE2 TYR A 52 3.436 9.368 2.008 1.00 0.00 C ATOM 823 CZ TYR A 52 4.409 10.188 1.474 1.00 0.00 C ATOM 824 OH TYR A 52 5.297 9.685 0.552 1.00 0.00 O ATOM 0 H TYR A 52 2.250 10.835 6.623 1.00 0.00 H new ATOM 0 HA TYR A 52 3.188 13.088 5.051 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.094 10.934 4.814 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.910 12.385 3.848 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.674 13.045 3.090 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.787 9.233 3.353 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.259 12.147 1.441 1.00 0.00 H new ATOM 0 HE2 TYR A 52 3.369 8.334 1.703 1.00 0.00 H new ATOM 0 HH TYR A 52 5.262 8.706 0.565 1.00 0.00 H new ATOM 834 N ARG A 53 0.455 13.252 6.882 1.00 0.00 N ATOM 835 CA ARG A 53 -0.516 14.193 7.438 1.00 0.00 C ATOM 836 C ARG A 53 0.186 15.366 8.117 1.00 0.00 C ATOM 837 O ARG A 53 -0.237 16.514 7.980 1.00 0.00 O ATOM 838 CB ARG A 53 -1.454 13.490 8.426 1.00 0.00 C ATOM 839 CG ARG A 53 -0.767 13.005 9.691 1.00 0.00 C ATOM 840 CD ARG A 53 -1.758 12.371 10.653 1.00 0.00 C ATOM 841 NE ARG A 53 -2.484 13.372 11.433 1.00 0.00 N ATOM 842 CZ ARG A 53 -3.629 13.129 12.069 1.00 0.00 C ATOM 843 NH1 ARG A 53 -4.182 11.924 12.018 1.00 0.00 N ATOM 844 NH2 ARG A 53 -4.221 14.095 12.757 1.00 0.00 N ATOM 0 H ARG A 53 0.376 12.299 7.238 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.112 14.582 6.612 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.256 14.175 8.700 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.918 12.639 7.928 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.005 12.281 9.432 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.268 13.842 10.180 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.469 11.763 10.093 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.228 11.700 11.329 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.091 14.311 11.494 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.730 11.178 11.490 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.059 11.744 12.507 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.800 15.023 12.799 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.098 13.910 13.244 1.00 0.00 H new ATOM 858 N GLN A 54 1.264 15.077 8.839 1.00 0.00 N ATOM 859 CA GLN A 54 2.021 16.119 9.524 1.00 0.00 C ATOM 860 C GLN A 54 2.831 16.935 8.520 1.00 0.00 C ATOM 861 O GLN A 54 3.052 18.132 8.706 1.00 0.00 O ATOM 862 CB GLN A 54 2.954 15.498 10.567 1.00 0.00 C ATOM 863 CG GLN A 54 2.885 16.177 11.926 1.00 0.00 C ATOM 864 CD GLN A 54 2.255 15.297 12.988 1.00 0.00 C ATOM 865 OE1 GLN A 54 1.038 15.112 13.016 1.00 0.00 O ATOM 866 NE2 GLN A 54 3.083 14.747 13.869 1.00 0.00 N ATOM 0 H GLN A 54 1.632 14.134 8.965 1.00 0.00 H new ATOM 0 HA GLN A 54 1.318 16.782 10.029 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.704 14.443 10.684 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.979 15.544 10.199 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.891 16.455 12.240 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.312 17.100 11.838 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.085 14.927 13.809 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.717 14.144 14.606 1.00 0.00 H new ATOM 875 N GLN A 55 3.278 16.269 7.459 1.00 0.00 N ATOM 876 CA GLN A 55 4.075 16.917 6.419 1.00 0.00 C ATOM 877 C GLN A 55 3.219 17.819 5.528 1.00 0.00 C ATOM 878 O GLN A 55 3.321 17.772 4.302 1.00 0.00 O ATOM 879 CB GLN A 55 4.785 15.865 5.565 1.00 0.00 C ATOM 880 CG GLN A 55 6.107 16.343 4.990 1.00 0.00 C ATOM 881 CD GLN A 55 7.300 15.869 5.799 1.00 0.00 C ATOM 882 OE1 GLN A 55 8.118 15.085 5.319 1.00 0.00 O ATOM 883 NE2 GLN A 55 7.401 16.344 7.035 1.00 0.00 N ATOM 0 H GLN A 55 3.102 15.278 7.296 1.00 0.00 H new ATOM 0 HA GLN A 55 4.816 17.543 6.916 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.961 14.976 6.170 1.00 0.00 H new ATOM 0 HB3 GLN A 55 4.128 15.569 4.747 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.203 15.986 3.964 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.109 17.432 4.950 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.699 16.992 7.391 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.181 16.060 7.628 1.00 0.00 H new ATOM 892 N VAL A 56 2.375 18.639 6.148 1.00 0.00 N ATOM 893 CA VAL A 56 1.509 19.549 5.405 1.00 0.00 C ATOM 894 C VAL A 56 1.257 20.827 6.197 1.00 0.00 C ATOM 895 O VAL A 56 0.299 20.915 6.965 1.00 0.00 O ATOM 896 CB VAL A 56 0.153 18.898 5.059 1.00 0.00 C ATOM 897 CG1 VAL A 56 -0.430 19.529 3.804 1.00 0.00 C ATOM 898 CG2 VAL A 56 0.296 17.393 4.883 1.00 0.00 C ATOM 0 H VAL A 56 2.272 18.692 7.161 1.00 0.00 H new ATOM 0 HA VAL A 56 2.029 19.788 4.477 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.530 19.074 5.890 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.386 19.060 3.572 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.579 20.596 3.969 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.257 19.384 2.971 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.675 16.961 4.640 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.998 17.186 4.075 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.668 16.952 5.808 1.00 0.00 H new ATOM 908 N THR A 57 2.125 21.816 6.006 1.00 0.00 N ATOM 909 CA THR A 57 1.999 23.090 6.706 1.00 0.00 C ATOM 910 C THR A 57 1.199 24.096 5.882 1.00 0.00 C ATOM 911 O THR A 57 1.384 25.306 6.014 1.00 0.00 O ATOM 912 CB THR A 57 3.382 23.663 7.022 1.00 0.00 C ATOM 913 OG1 THR A 57 4.193 22.691 7.659 1.00 0.00 O ATOM 914 CG2 THR A 57 3.336 24.880 7.919 1.00 0.00 C ATOM 0 H THR A 57 2.923 21.760 5.373 1.00 0.00 H new ATOM 0 HA THR A 57 1.464 22.906 7.638 1.00 0.00 H new ATOM 0 HB THR A 57 3.799 23.958 6.059 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.074 23.075 7.852 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.350 25.235 8.103 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.758 25.667 7.435 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.867 24.616 8.867 1.00 0.00 H new ATOM 922 N GLY A 58 0.306 23.590 5.035 1.00 0.00 N ATOM 923 CA GLY A 58 -0.509 24.462 4.210 1.00 0.00 C ATOM 924 C GLY A 58 -1.915 24.615 4.755 1.00 0.00 C ATOM 925 O GLY A 58 -2.210 24.157 5.859 1.00 0.00 O ATOM 0 H GLY A 58 0.133 22.593 4.906 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.038 25.443 4.145 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.555 24.062 3.197 1.00 0.00 H new ATOM 929 N GLU A 59 -2.786 25.258 3.982 1.00 0.00 N ATOM 930 CA GLU A 59 -4.169 25.466 4.399 1.00 0.00 C ATOM 931 C GLU A 59 -4.845 24.136 4.723 1.00 0.00 C ATOM 932 O GLU A 59 -4.379 23.076 4.303 1.00 0.00 O ATOM 933 CB GLU A 59 -4.949 26.198 3.304 1.00 0.00 C ATOM 934 CG GLU A 59 -5.330 27.623 3.678 1.00 0.00 C ATOM 935 CD GLU A 59 -4.805 28.649 2.693 1.00 0.00 C ATOM 936 OE1 GLU A 59 -3.591 28.940 2.726 1.00 0.00 O ATOM 937 OE2 GLU A 59 -5.609 29.162 1.886 1.00 0.00 O ATOM 0 H GLU A 59 -2.559 25.643 3.065 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.164 26.078 5.301 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.350 26.218 2.394 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.855 25.636 3.077 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.416 27.701 3.733 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.943 27.849 4.672 1.00 0.00 H new ATOM 944 N PRO A 60 -5.957 24.171 5.475 1.00 0.00 N ATOM 945 CA PRO A 60 -6.692 22.960 5.849 1.00 0.00 C ATOM 946 C PRO A 60 -7.236 22.224 4.639 1.00 0.00 C ATOM 947 O PRO A 60 -7.411 21.005 4.675 1.00 0.00 O ATOM 948 CB PRO A 60 -7.832 23.479 6.734 1.00 0.00 C ATOM 949 CG PRO A 60 -7.969 24.919 6.377 1.00 0.00 C ATOM 950 CD PRO A 60 -6.588 25.388 6.015 1.00 0.00 C ATOM 0 HA PRO A 60 -6.053 22.236 6.355 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -8.758 22.935 6.545 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -7.599 23.355 7.792 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.657 25.050 5.542 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.369 25.492 7.213 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.614 26.190 5.278 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.051 25.770 6.883 1.00 0.00 H new ATOM 958 N GLN A 61 -7.483 22.952 3.558 1.00 0.00 N ATOM 959 CA GLN A 61 -7.980 22.328 2.345 1.00 0.00 C ATOM 960 C GLN A 61 -6.854 21.541 1.692 1.00 0.00 C ATOM 961 O GLN A 61 -7.024 20.381 1.330 1.00 0.00 O ATOM 962 CB GLN A 61 -8.520 23.385 1.377 1.00 0.00 C ATOM 963 CG GLN A 61 -9.278 24.509 2.063 1.00 0.00 C ATOM 964 CD GLN A 61 -9.988 25.421 1.081 1.00 0.00 C ATOM 965 OE1 GLN A 61 -9.568 26.557 0.856 1.00 0.00 O ATOM 966 NE2 GLN A 61 -11.069 24.927 0.492 1.00 0.00 N ATOM 0 H GLN A 61 -7.349 23.961 3.498 1.00 0.00 H new ATOM 0 HA GLN A 61 -8.798 21.653 2.598 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -7.688 23.809 0.815 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -9.179 22.902 0.655 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -10.009 24.082 2.750 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -8.583 25.098 2.662 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -11.380 23.980 0.709 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -11.589 25.494 -0.178 1.00 0.00 H new ATOM 975 N GLU A 62 -5.698 22.183 1.557 1.00 0.00 N ATOM 976 CA GLU A 62 -4.534 21.547 0.954 1.00 0.00 C ATOM 977 C GLU A 62 -4.165 20.263 1.691 1.00 0.00 C ATOM 978 O GLU A 62 -3.864 19.245 1.066 1.00 0.00 O ATOM 979 CB GLU A 62 -3.347 22.512 0.949 1.00 0.00 C ATOM 980 CG GLU A 62 -2.629 22.586 -0.389 1.00 0.00 C ATOM 981 CD GLU A 62 -2.868 23.898 -1.109 1.00 0.00 C ATOM 982 OE1 GLU A 62 -2.267 24.915 -0.704 1.00 0.00 O ATOM 983 OE2 GLU A 62 -3.658 23.909 -2.077 1.00 0.00 O ATOM 0 H GLU A 62 -5.543 23.145 1.858 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.786 21.287 -0.074 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.698 23.508 1.219 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.637 22.205 1.717 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.559 22.453 -0.230 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.962 21.763 -1.022 1.00 0.00 H new ATOM 990 N ARG A 63 -4.186 20.310 3.019 1.00 0.00 N ATOM 991 CA ARG A 63 -3.849 19.136 3.818 1.00 0.00 C ATOM 992 C ARG A 63 -4.979 18.111 3.791 1.00 0.00 C ATOM 993 O ARG A 63 -4.742 16.926 3.572 1.00 0.00 O ATOM 994 CB ARG A 63 -3.511 19.523 5.262 1.00 0.00 C ATOM 995 CG ARG A 63 -4.410 20.599 5.846 1.00 0.00 C ATOM 996 CD ARG A 63 -4.783 20.290 7.288 1.00 0.00 C ATOM 997 NE ARG A 63 -3.904 20.969 8.236 1.00 0.00 N ATOM 998 CZ ARG A 63 -3.738 20.586 9.501 1.00 0.00 C ATOM 999 NH1 ARG A 63 -4.381 19.526 9.973 1.00 0.00 N ATOM 1000 NH2 ARG A 63 -2.924 21.267 10.295 1.00 0.00 N ATOM 0 H ARG A 63 -4.430 21.139 3.561 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.963 18.682 3.373 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -3.574 18.633 5.889 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.478 19.868 5.301 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.904 21.563 5.798 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.315 20.684 5.245 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.814 20.592 7.469 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.733 19.214 7.453 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.386 21.785 7.910 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.008 18.998 9.366 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.248 19.239 10.943 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.426 22.082 9.937 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.795 20.976 11.264 1.00 0.00 H new ATOM 1014 N ASP A 64 -6.209 18.568 4.012 1.00 0.00 N ATOM 1015 CA ASP A 64 -7.364 17.673 4.003 1.00 0.00 C ATOM 1016 C ASP A 64 -7.490 16.957 2.659 1.00 0.00 C ATOM 1017 O ASP A 64 -7.804 15.767 2.601 1.00 0.00 O ATOM 1018 CB ASP A 64 -8.644 18.457 4.300 1.00 0.00 C ATOM 1019 CG ASP A 64 -9.820 17.551 4.613 1.00 0.00 C ATOM 1020 OD1 ASP A 64 -9.908 17.069 5.762 1.00 0.00 O ATOM 1021 OD2 ASP A 64 -10.652 17.325 3.710 1.00 0.00 O ATOM 0 H ASP A 64 -6.431 19.546 4.198 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.217 16.923 4.780 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.470 19.125 5.143 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.890 19.083 3.443 1.00 0.00 H new ATOM 1026 N LYS A 65 -7.242 17.694 1.583 1.00 0.00 N ATOM 1027 CA LYS A 65 -7.327 17.134 0.236 1.00 0.00 C ATOM 1028 C LYS A 65 -6.138 16.223 -0.053 1.00 0.00 C ATOM 1029 O LYS A 65 -6.290 15.157 -0.648 1.00 0.00 O ATOM 1030 CB LYS A 65 -7.406 18.249 -0.812 1.00 0.00 C ATOM 1031 CG LYS A 65 -8.601 18.120 -1.743 1.00 0.00 C ATOM 1032 CD LYS A 65 -9.755 19.004 -1.296 1.00 0.00 C ATOM 1033 CE LYS A 65 -9.807 20.303 -2.086 1.00 0.00 C ATOM 1034 NZ LYS A 65 -9.684 21.496 -1.204 1.00 0.00 N ATOM 0 H LYS A 65 -6.981 18.679 1.615 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.238 16.538 0.180 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.453 19.212 -0.304 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.491 18.246 -1.405 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.305 18.392 -2.756 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.928 17.081 -1.774 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.695 18.466 -1.419 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.652 19.228 -0.234 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.004 20.312 -2.823 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.746 20.355 -2.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.990 22.344 -1.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.283 21.369 -0.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.693 21.609 -0.909 1.00 0.00 H new ATOM 1048 N ALA A 66 -4.955 16.644 0.379 1.00 0.00 N ATOM 1049 CA ALA A 66 -3.748 15.856 0.170 1.00 0.00 C ATOM 1050 C ALA A 66 -3.785 14.584 1.010 1.00 0.00 C ATOM 1051 O ALA A 66 -3.258 13.544 0.612 1.00 0.00 O ATOM 1052 CB ALA A 66 -2.513 16.678 0.511 1.00 0.00 C ATOM 0 H ALA A 66 -4.807 17.523 0.874 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.700 15.573 -0.882 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.619 16.076 0.350 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.476 17.561 -0.127 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.559 16.987 1.555 1.00 0.00 H new ATOM 1058 N LEU A 67 -4.420 14.677 2.174 1.00 0.00 N ATOM 1059 CA LEU A 67 -4.538 13.539 3.075 1.00 0.00 C ATOM 1060 C LEU A 67 -5.519 12.516 2.523 1.00 0.00 C ATOM 1061 O LEU A 67 -5.238 11.318 2.508 1.00 0.00 O ATOM 1062 CB LEU A 67 -4.991 14.006 4.460 1.00 0.00 C ATOM 1063 CG LEU A 67 -3.864 14.208 5.473 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -3.270 12.868 5.880 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -2.788 15.123 4.903 1.00 0.00 C ATOM 0 H LEU A 67 -4.861 15.531 2.515 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.559 13.068 3.162 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.534 14.945 4.351 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.694 13.276 4.861 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.279 14.684 6.361 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.469 13.029 6.601 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.045 12.248 6.331 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.870 12.365 5.000 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.995 15.254 5.639 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.374 14.678 3.998 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.225 16.093 4.663 1.00 0.00 H new ATOM 1077 N GLN A 68 -6.669 12.994 2.059 1.00 0.00 N ATOM 1078 CA GLN A 68 -7.680 12.111 1.500 1.00 0.00 C ATOM 1079 C GLN A 68 -7.141 11.424 0.253 1.00 0.00 C ATOM 1080 O GLN A 68 -7.423 10.251 0.004 1.00 0.00 O ATOM 1081 CB GLN A 68 -8.962 12.891 1.182 1.00 0.00 C ATOM 1082 CG GLN A 68 -8.876 13.753 -0.068 1.00 0.00 C ATOM 1083 CD GLN A 68 -10.235 14.244 -0.529 1.00 0.00 C ATOM 1084 OE1 GLN A 68 -10.892 15.025 0.159 1.00 0.00 O ATOM 1085 NE2 GLN A 68 -10.663 13.788 -1.700 1.00 0.00 N ATOM 0 H GLN A 68 -6.921 13.982 2.060 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.926 11.347 2.238 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -9.784 12.185 1.066 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.206 13.528 2.032 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.231 14.610 0.129 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.409 13.180 -0.869 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.085 13.142 -2.238 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -11.569 14.084 -2.062 1.00 0.00 H new ATOM 1094 N GLU A 69 -6.347 12.158 -0.518 1.00 0.00 N ATOM 1095 CA GLU A 69 -5.748 11.616 -1.727 1.00 0.00 C ATOM 1096 C GLU A 69 -4.689 10.585 -1.363 1.00 0.00 C ATOM 1097 O GLU A 69 -4.524 9.576 -2.049 1.00 0.00 O ATOM 1098 CB GLU A 69 -5.128 12.737 -2.566 1.00 0.00 C ATOM 1099 CG GLU A 69 -5.199 12.487 -4.064 1.00 0.00 C ATOM 1100 CD GLU A 69 -6.104 13.472 -4.779 1.00 0.00 C ATOM 1101 OE1 GLU A 69 -5.770 14.676 -4.803 1.00 0.00 O ATOM 1102 OE2 GLU A 69 -7.145 13.040 -5.314 1.00 0.00 O ATOM 0 H GLU A 69 -6.104 13.130 -0.326 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.526 11.133 -2.318 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.637 13.674 -2.338 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.085 12.862 -2.276 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.196 12.548 -4.486 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.559 11.474 -4.243 1.00 0.00 H new ATOM 1109 N LEU A 70 -3.981 10.842 -0.267 1.00 0.00 N ATOM 1110 CA LEU A 70 -2.946 9.931 0.203 1.00 0.00 C ATOM 1111 C LEU A 70 -3.570 8.615 0.657 1.00 0.00 C ATOM 1112 O LEU A 70 -3.157 7.538 0.232 1.00 0.00 O ATOM 1113 CB LEU A 70 -2.171 10.565 1.360 1.00 0.00 C ATOM 1114 CG LEU A 70 -0.650 10.449 1.270 1.00 0.00 C ATOM 1115 CD1 LEU A 70 -0.232 9.006 1.027 1.00 0.00 C ATOM 1116 CD2 LEU A 70 -0.110 11.356 0.175 1.00 0.00 C ATOM 0 H LEU A 70 -4.106 11.673 0.311 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.257 9.732 -0.618 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.435 11.621 1.417 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.499 10.104 2.291 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.226 10.769 2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.855 8.947 0.966 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.584 8.382 1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.667 8.654 0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.975 11.260 0.125 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.544 11.068 -0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.373 12.390 0.397 1.00 0.00 H new ATOM 1128 N ARG A 71 -4.566 8.714 1.527 1.00 0.00 N ATOM 1129 CA ARG A 71 -5.247 7.530 2.037 1.00 0.00 C ATOM 1130 C ARG A 71 -5.885 6.748 0.895 1.00 0.00 C ATOM 1131 O ARG A 71 -5.908 5.516 0.904 1.00 0.00 O ATOM 1132 CB ARG A 71 -6.314 7.936 3.055 1.00 0.00 C ATOM 1133 CG ARG A 71 -5.777 8.804 4.180 1.00 0.00 C ATOM 1134 CD ARG A 71 -6.823 9.793 4.671 1.00 0.00 C ATOM 1135 NE ARG A 71 -7.008 9.718 6.118 1.00 0.00 N ATOM 1136 CZ ARG A 71 -6.065 10.027 7.004 1.00 0.00 C ATOM 1137 NH1 ARG A 71 -4.871 10.442 6.597 1.00 0.00 N ATOM 1138 NH2 ARG A 71 -6.316 9.925 8.301 1.00 0.00 N ATOM 0 H ARG A 71 -4.920 9.598 1.894 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.512 6.891 2.528 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.110 8.473 2.540 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.760 7.037 3.481 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.457 8.171 5.008 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.897 9.346 3.834 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.524 10.804 4.395 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.772 9.594 4.173 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.914 9.410 6.470 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -4.673 10.525 5.600 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -4.152 10.677 7.281 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.232 9.610 8.620 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.593 10.162 8.981 1.00 0.00 H new ATOM 1152 N GLN A 72 -6.399 7.476 -0.090 1.00 0.00 N ATOM 1153 CA GLN A 72 -7.037 6.856 -1.242 1.00 0.00 C ATOM 1154 C GLN A 72 -6.012 6.146 -2.116 1.00 0.00 C ATOM 1155 O GLN A 72 -6.203 4.989 -2.487 1.00 0.00 O ATOM 1156 CB GLN A 72 -7.783 7.909 -2.064 1.00 0.00 C ATOM 1157 CG GLN A 72 -8.489 7.343 -3.286 1.00 0.00 C ATOM 1158 CD GLN A 72 -9.585 6.363 -2.921 1.00 0.00 C ATOM 1159 OE1 GLN A 72 -9.194 5.172 -2.489 1.00 0.00 O flip ATOM 1160 NE2 GLN A 72 -10.772 6.675 -3.028 1.00 0.00 N flip ATOM 0 H GLN A 72 -6.386 8.496 -0.113 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.749 6.116 -0.877 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.517 8.401 -1.427 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -7.076 8.674 -2.386 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.916 8.161 -3.866 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.759 6.846 -3.925 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.027 7.603 -3.365 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.500 6.005 -2.780 1.00 0.00 H new ATOM 1169 N GLU A 73 -4.928 6.845 -2.443 1.00 0.00 N ATOM 1170 CA GLU A 73 -3.876 6.276 -3.276 1.00 0.00 C ATOM 1171 C GLU A 73 -3.297 5.013 -2.640 1.00 0.00 C ATOM 1172 O GLU A 73 -3.065 4.013 -3.321 1.00 0.00 O ATOM 1173 CB GLU A 73 -2.770 7.310 -3.527 1.00 0.00 C ATOM 1174 CG GLU A 73 -1.884 7.589 -2.323 1.00 0.00 C ATOM 1175 CD GLU A 73 -0.654 8.401 -2.677 1.00 0.00 C ATOM 1176 OE1 GLU A 73 -0.787 9.628 -2.871 1.00 0.00 O ATOM 1177 OE2 GLU A 73 0.445 7.813 -2.758 1.00 0.00 O ATOM 0 H GLU A 73 -4.757 7.805 -2.144 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.315 6.000 -4.235 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.145 6.963 -4.350 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.230 8.245 -3.849 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.462 8.122 -1.568 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.574 6.643 -1.878 1.00 0.00 H new ATOM 1184 N LEU A 74 -3.059 5.070 -1.335 1.00 0.00 N ATOM 1185 CA LEU A 74 -2.499 3.938 -0.605 1.00 0.00 C ATOM 1186 C LEU A 74 -3.462 2.757 -0.576 1.00 0.00 C ATOM 1187 O LEU A 74 -3.043 1.613 -0.725 1.00 0.00 O ATOM 1188 CB LEU A 74 -2.130 4.356 0.819 1.00 0.00 C ATOM 1189 CG LEU A 74 -0.928 5.296 0.922 1.00 0.00 C ATOM 1190 CD1 LEU A 74 -0.926 6.015 2.262 1.00 0.00 C ATOM 1191 CD2 LEU A 74 0.369 4.527 0.724 1.00 0.00 C ATOM 0 H LEU A 74 -3.246 5.891 -0.759 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.598 3.619 -1.128 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.993 4.842 1.275 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.923 3.459 1.403 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.007 6.044 0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.064 6.679 2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.841 6.599 2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.872 5.283 3.068 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.213 5.212 0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.456 3.757 1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.369 4.060 -0.261 1.00 0.00 H new ATOM 1203 N ASN A 75 -4.747 3.024 -0.375 1.00 0.00 N ATOM 1204 CA ASN A 75 -5.733 1.949 -0.329 1.00 0.00 C ATOM 1205 C ASN A 75 -5.890 1.296 -1.698 1.00 0.00 C ATOM 1206 O ASN A 75 -6.154 0.098 -1.799 1.00 0.00 O ATOM 1207 CB ASN A 75 -7.082 2.476 0.165 1.00 0.00 C ATOM 1208 CG ASN A 75 -7.202 2.428 1.676 1.00 0.00 C ATOM 1209 OD1 ASN A 75 -7.788 1.500 2.234 1.00 0.00 O ATOM 1210 ND2 ASN A 75 -6.645 3.428 2.347 1.00 0.00 N ATOM 0 H ASN A 75 -5.128 3.961 -0.243 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.376 1.195 0.372 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.215 3.503 -0.175 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.884 1.887 -0.280 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.693 3.448 3.366 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.169 4.177 1.844 1.00 0.00 H new ATOM 1217 N THR A 76 -5.715 2.089 -2.747 1.00 0.00 N ATOM 1218 CA THR A 76 -5.825 1.582 -4.109 1.00 0.00 C ATOM 1219 C THR A 76 -4.525 0.909 -4.535 1.00 0.00 C ATOM 1220 O THR A 76 -4.529 -0.005 -5.360 1.00 0.00 O ATOM 1221 CB THR A 76 -6.178 2.710 -5.080 1.00 0.00 C ATOM 1222 OG1 THR A 76 -6.288 2.219 -6.404 1.00 0.00 O ATOM 1223 CG2 THR A 76 -5.159 3.827 -5.088 1.00 0.00 C ATOM 0 H THR A 76 -5.497 3.083 -2.682 1.00 0.00 H new ATOM 0 HA THR A 76 -6.626 0.843 -4.132 1.00 0.00 H new ATOM 0 HB THR A 76 -7.130 3.108 -4.729 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.516 2.956 -7.008 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.467 4.596 -5.797 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.087 4.261 -4.091 1.00 0.00 H new ATOM 0 HG23 THR A 76 -4.187 3.431 -5.382 1.00 0.00 H new ATOM 1231 N LEU A 77 -3.414 1.362 -3.962 1.00 0.00 N ATOM 1232 CA LEU A 77 -2.108 0.799 -4.279 1.00 0.00 C ATOM 1233 C LEU A 77 -1.871 -0.485 -3.488 1.00 0.00 C ATOM 1234 O LEU A 77 -1.321 -1.455 -4.009 1.00 0.00 O ATOM 1235 CB LEU A 77 -0.999 1.814 -3.974 1.00 0.00 C ATOM 1236 CG LEU A 77 -0.794 2.909 -5.028 1.00 0.00 C ATOM 1237 CD1 LEU A 77 0.498 3.664 -4.761 1.00 0.00 C ATOM 1238 CD2 LEU A 77 -0.782 2.319 -6.431 1.00 0.00 C ATOM 0 H LEU A 77 -3.393 2.117 -3.276 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.087 0.563 -5.343 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.220 2.291 -3.019 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.061 1.273 -3.850 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.629 3.606 -4.960 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.630 4.438 -5.517 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.453 4.125 -3.774 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.339 2.971 -4.800 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.635 3.116 -7.160 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.030 1.597 -6.515 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.732 1.821 -6.624 1.00 0.00 H new ATOM 1250 N ALA A 78 -2.290 -0.482 -2.223 1.00 0.00 N ATOM 1251 CA ALA A 78 -2.124 -1.644 -1.358 1.00 0.00 C ATOM 1252 C ALA A 78 -3.180 -2.709 -1.645 1.00 0.00 C ATOM 1253 O ALA A 78 -3.010 -3.873 -1.286 1.00 0.00 O ATOM 1254 CB ALA A 78 -2.183 -1.222 0.100 1.00 0.00 C ATOM 0 H ALA A 78 -2.747 0.313 -1.777 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.147 -2.081 -1.565 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.058 -2.097 0.737 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.386 -0.507 0.304 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.148 -0.758 0.306 1.00 0.00 H new ATOM 1260 N ASN A 79 -4.280 -2.301 -2.274 1.00 0.00 N ATOM 1261 CA ASN A 79 -5.368 -3.222 -2.580 1.00 0.00 C ATOM 1262 C ASN A 79 -4.880 -4.370 -3.460 1.00 0.00 C ATOM 1263 O ASN A 79 -5.047 -5.539 -3.108 1.00 0.00 O ATOM 1264 CB ASN A 79 -6.506 -2.478 -3.284 1.00 0.00 C ATOM 1265 CG ASN A 79 -7.821 -2.585 -2.535 1.00 0.00 C ATOM 1266 OD1 ASN A 79 -8.702 -3.357 -2.912 1.00 0.00 O ATOM 1267 ND2 ASN A 79 -7.960 -1.805 -1.470 1.00 0.00 N ATOM 0 H ASN A 79 -4.440 -1.341 -2.580 1.00 0.00 H new ATOM 0 HA ASN A 79 -5.735 -3.637 -1.641 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.237 -1.427 -3.391 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.631 -2.879 -4.290 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -8.824 -1.831 -0.928 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -7.203 -1.180 -1.193 1.00 0.00 H new ATOM 1274 N PRO A 80 -4.265 -4.064 -4.614 1.00 0.00 N ATOM 1275 CA PRO A 80 -3.757 -5.096 -5.519 1.00 0.00 C ATOM 1276 C PRO A 80 -2.710 -5.975 -4.844 1.00 0.00 C ATOM 1277 O PRO A 80 -2.655 -7.180 -5.077 1.00 0.00 O ATOM 1278 CB PRO A 80 -3.133 -4.301 -6.673 1.00 0.00 C ATOM 1279 CG PRO A 80 -2.920 -2.928 -6.132 1.00 0.00 C ATOM 1280 CD PRO A 80 -4.011 -2.708 -5.125 1.00 0.00 C ATOM 0 HA PRO A 80 -4.543 -5.777 -5.844 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.192 -4.747 -6.995 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -3.792 -4.284 -7.541 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -1.937 -2.839 -5.669 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.966 -2.184 -6.927 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.698 -2.029 -4.332 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.901 -2.275 -5.582 1.00 0.00 H new ATOM 1288 N PHE A 81 -1.877 -5.359 -4.011 1.00 0.00 N ATOM 1289 CA PHE A 81 -0.829 -6.081 -3.309 1.00 0.00 C ATOM 1290 C PHE A 81 -1.417 -7.048 -2.288 1.00 0.00 C ATOM 1291 O PHE A 81 -0.888 -8.134 -2.070 1.00 0.00 O ATOM 1292 CB PHE A 81 0.105 -5.094 -2.606 1.00 0.00 C ATOM 1293 CG PHE A 81 1.154 -5.745 -1.748 1.00 0.00 C ATOM 1294 CD1 PHE A 81 1.594 -7.032 -2.016 1.00 0.00 C ATOM 1295 CD2 PHE A 81 1.699 -5.066 -0.674 1.00 0.00 C ATOM 1296 CE1 PHE A 81 2.560 -7.627 -1.228 1.00 0.00 C ATOM 1297 CE2 PHE A 81 2.668 -5.655 0.116 1.00 0.00 C ATOM 1298 CZ PHE A 81 3.098 -6.937 -0.161 1.00 0.00 C ATOM 0 H PHE A 81 -1.910 -4.360 -3.807 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.265 -6.657 -4.043 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.598 -4.478 -3.358 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -0.492 -4.424 -1.986 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.177 -7.576 -2.851 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.364 -4.064 -0.450 1.00 0.00 H new ATOM 0 HE1 PHE A 81 2.894 -8.631 -1.447 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.089 -5.112 0.950 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.854 -7.399 0.456 1.00 0.00 H new ATOM 1308 N LEU A 82 -2.514 -6.643 -1.668 1.00 0.00 N ATOM 1309 CA LEU A 82 -3.169 -7.476 -0.669 1.00 0.00 C ATOM 1310 C LEU A 82 -3.983 -8.593 -1.310 1.00 0.00 C ATOM 1311 O LEU A 82 -3.993 -9.720 -0.817 1.00 0.00 O ATOM 1312 CB LEU A 82 -4.055 -6.628 0.244 1.00 0.00 C ATOM 1313 CG LEU A 82 -3.364 -6.103 1.502 1.00 0.00 C ATOM 1314 CD1 LEU A 82 -2.424 -4.961 1.156 1.00 0.00 C ATOM 1315 CD2 LEU A 82 -4.393 -5.657 2.528 1.00 0.00 C ATOM 0 H LEU A 82 -2.969 -5.746 -1.837 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.386 -7.940 -0.068 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.433 -5.780 -0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.919 -7.222 0.542 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.776 -6.912 1.935 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.941 -4.600 2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.666 -5.313 0.457 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.990 -4.150 0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.883 -5.286 3.417 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.008 -4.863 2.105 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.027 -6.502 2.799 1.00 0.00 H new ATOM 1327 N ALA A 83 -4.655 -8.287 -2.415 1.00 0.00 N ATOM 1328 CA ALA A 83 -5.451 -9.289 -3.108 1.00 0.00 C ATOM 1329 C ALA A 83 -4.545 -10.218 -3.895 1.00 0.00 C ATOM 1330 O ALA A 83 -4.791 -11.423 -3.986 1.00 0.00 O ATOM 1331 CB ALA A 83 -6.469 -8.623 -4.025 1.00 0.00 C ATOM 0 H ALA A 83 -4.664 -7.362 -2.845 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.996 -9.877 -2.370 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.055 -9.388 -4.535 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.132 -7.991 -3.434 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.949 -8.012 -4.763 1.00 0.00 H new ATOM 1337 N LYS A 84 -3.476 -9.652 -4.445 1.00 0.00 N ATOM 1338 CA LYS A 84 -2.515 -10.432 -5.201 1.00 0.00 C ATOM 1339 C LYS A 84 -1.749 -11.345 -4.262 1.00 0.00 C ATOM 1340 O LYS A 84 -1.587 -12.533 -4.535 1.00 0.00 O ATOM 1341 CB LYS A 84 -1.541 -9.525 -5.960 1.00 0.00 C ATOM 1342 CG LYS A 84 -0.668 -10.274 -6.954 1.00 0.00 C ATOM 1343 CD LYS A 84 -0.052 -9.334 -7.979 1.00 0.00 C ATOM 1344 CE LYS A 84 1.273 -8.770 -7.492 1.00 0.00 C ATOM 1345 NZ LYS A 84 1.086 -7.552 -6.657 1.00 0.00 N ATOM 0 H LYS A 84 -3.257 -8.658 -4.379 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.057 -11.031 -5.933 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.107 -8.759 -6.490 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.902 -9.010 -5.243 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.124 -10.800 -6.420 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.264 -11.030 -7.465 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.101 -9.867 -8.917 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.743 -8.516 -8.186 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.800 -9.529 -6.914 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.902 -8.529 -8.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.870 -6.891 -6.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.187 -7.094 -6.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.070 -7.819 -5.652 1.00 0.00 H new ATOM 1359 N TYR A 85 -1.287 -10.791 -3.141 1.00 0.00 N ATOM 1360 CA TYR A 85 -0.554 -11.581 -2.171 1.00 0.00 C ATOM 1361 C TYR A 85 -1.423 -12.701 -1.618 1.00 0.00 C ATOM 1362 O TYR A 85 -0.978 -13.840 -1.507 1.00 0.00 O ATOM 1363 CB TYR A 85 -0.042 -10.711 -1.025 1.00 0.00 C ATOM 1364 CG TYR A 85 1.099 -11.351 -0.271 1.00 0.00 C ATOM 1365 CD1 TYR A 85 2.194 -11.864 -0.952 1.00 0.00 C ATOM 1366 CD2 TYR A 85 1.077 -11.451 1.113 1.00 0.00 C ATOM 1367 CE1 TYR A 85 3.241 -12.459 -0.277 1.00 0.00 C ATOM 1368 CE2 TYR A 85 2.121 -12.047 1.799 1.00 0.00 C ATOM 1369 CZ TYR A 85 3.200 -12.548 1.099 1.00 0.00 C ATOM 1370 OH TYR A 85 4.243 -13.141 1.775 1.00 0.00 O ATOM 0 H TYR A 85 -1.409 -9.810 -2.890 1.00 0.00 H new ATOM 0 HA TYR A 85 0.302 -12.018 -2.685 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.284 -9.750 -1.422 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.861 -10.509 -0.334 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.228 -11.797 -2.029 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.234 -11.058 1.662 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.086 -12.852 -0.822 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.092 -12.120 2.876 1.00 0.00 H new ATOM 0 HH TYR A 85 4.061 -13.123 2.738 1.00 0.00 H new ATOM 1380 N ARG A 86 -2.664 -12.376 -1.273 1.00 0.00 N ATOM 1381 CA ARG A 86 -3.583 -13.368 -0.722 1.00 0.00 C ATOM 1382 C ARG A 86 -3.758 -14.539 -1.679 1.00 0.00 C ATOM 1383 O ARG A 86 -3.540 -15.692 -1.304 1.00 0.00 O ATOM 1384 CB ARG A 86 -4.944 -12.735 -0.421 1.00 0.00 C ATOM 1385 CG ARG A 86 -4.991 -11.976 0.896 1.00 0.00 C ATOM 1386 CD ARG A 86 -5.765 -12.745 1.957 1.00 0.00 C ATOM 1387 NE ARG A 86 -4.939 -13.753 2.616 1.00 0.00 N ATOM 1388 CZ ARG A 86 -5.232 -14.299 3.795 1.00 0.00 C ATOM 1389 NH1 ARG A 86 -6.331 -13.941 4.447 1.00 0.00 N ATOM 1390 NH2 ARG A 86 -4.421 -15.206 4.324 1.00 0.00 N ATOM 0 H ARG A 86 -3.056 -11.439 -1.364 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.153 -13.740 0.208 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.205 -12.054 -1.231 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.703 -13.518 -0.406 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.976 -11.792 1.247 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.456 -11.003 0.739 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.149 -12.048 2.702 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.628 -13.228 1.498 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.087 -14.057 2.145 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.958 -13.243 4.046 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.549 -14.363 5.349 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.574 -15.484 3.828 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.644 -15.625 5.227 1.00 0.00 H new ATOM 1404 N ASP A 87 -4.134 -14.245 -2.918 1.00 0.00 N ATOM 1405 CA ASP A 87 -4.311 -15.290 -3.916 1.00 0.00 C ATOM 1406 C ASP A 87 -3.001 -16.055 -4.090 1.00 0.00 C ATOM 1407 O ASP A 87 -2.985 -17.275 -4.260 1.00 0.00 O ATOM 1408 CB ASP A 87 -4.768 -14.678 -5.251 1.00 0.00 C ATOM 1409 CG ASP A 87 -3.619 -14.387 -6.203 1.00 0.00 C ATOM 1410 OD1 ASP A 87 -3.055 -15.349 -6.764 1.00 0.00 O ATOM 1411 OD2 ASP A 87 -3.284 -13.197 -6.384 1.00 0.00 O ATOM 0 H ASP A 87 -4.321 -13.300 -3.253 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.082 -15.984 -3.581 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.468 -15.360 -5.735 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.309 -13.753 -5.052 1.00 0.00 H new ATOM 1416 N PHE A 88 -1.905 -15.303 -4.050 1.00 0.00 N ATOM 1417 CA PHE A 88 -0.567 -15.857 -4.207 1.00 0.00 C ATOM 1418 C PHE A 88 -0.235 -16.873 -3.110 1.00 0.00 C ATOM 1419 O PHE A 88 0.193 -17.989 -3.404 1.00 0.00 O ATOM 1420 CB PHE A 88 0.455 -14.713 -4.191 1.00 0.00 C ATOM 1421 CG PHE A 88 1.800 -15.055 -4.772 1.00 0.00 C ATOM 1422 CD1 PHE A 88 2.115 -16.356 -5.134 1.00 0.00 C ATOM 1423 CD2 PHE A 88 2.757 -14.065 -4.950 1.00 0.00 C ATOM 1424 CE1 PHE A 88 3.352 -16.661 -5.661 1.00 0.00 C ATOM 1425 CE2 PHE A 88 3.994 -14.367 -5.476 1.00 0.00 C ATOM 1426 CZ PHE A 88 4.292 -15.665 -5.830 1.00 0.00 C ATOM 0 H PHE A 88 -1.921 -14.293 -3.908 1.00 0.00 H new ATOM 0 HA PHE A 88 -0.526 -16.385 -5.160 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.042 -13.869 -4.743 1.00 0.00 H new ATOM 0 HB3 PHE A 88 0.594 -14.384 -3.161 1.00 0.00 H new ATOM 0 HD1 PHE A 88 1.383 -17.139 -5.002 1.00 0.00 H new ATOM 0 HD2 PHE A 88 2.529 -13.046 -4.673 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.585 -17.678 -5.941 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.729 -13.587 -5.611 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.262 -15.903 -6.240 1.00 0.00 H new ATOM 1436 N LEU A 89 -0.428 -16.491 -1.848 1.00 0.00 N ATOM 1437 CA LEU A 89 -0.131 -17.394 -0.737 1.00 0.00 C ATOM 1438 C LEU A 89 -1.183 -18.493 -0.611 1.00 0.00 C ATOM 1439 O LEU A 89 -0.907 -19.567 -0.076 1.00 0.00 O ATOM 1440 CB LEU A 89 -0.002 -16.629 0.587 1.00 0.00 C ATOM 1441 CG LEU A 89 -1.026 -15.513 0.819 1.00 0.00 C ATOM 1442 CD1 LEU A 89 -1.901 -15.827 2.023 1.00 0.00 C ATOM 1443 CD2 LEU A 89 -0.320 -14.176 1.011 1.00 0.00 C ATOM 0 H LEU A 89 -0.784 -15.576 -1.572 1.00 0.00 H new ATOM 0 HA LEU A 89 0.828 -17.864 -0.957 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.081 -17.344 1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.997 -16.195 0.638 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.665 -15.447 -0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.621 -15.022 2.170 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.433 -16.763 1.852 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.277 -15.922 2.912 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.061 -13.393 1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.342 -14.235 1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.264 -13.942 0.121 1.00 0.00 H new ATOM 1455 N LYS A 90 -2.388 -18.221 -1.100 1.00 0.00 N ATOM 1456 CA LYS A 90 -3.474 -19.194 -1.034 1.00 0.00 C ATOM 1457 C LYS A 90 -3.457 -20.134 -2.240 1.00 0.00 C ATOM 1458 O LYS A 90 -4.131 -21.163 -2.242 1.00 0.00 O ATOM 1459 CB LYS A 90 -4.822 -18.476 -0.955 1.00 0.00 C ATOM 1460 CG LYS A 90 -5.015 -17.690 0.332 1.00 0.00 C ATOM 1461 CD LYS A 90 -5.162 -18.612 1.531 1.00 0.00 C ATOM 1462 CE LYS A 90 -5.085 -17.847 2.843 1.00 0.00 C ATOM 1463 NZ LYS A 90 -4.073 -18.430 3.766 1.00 0.00 N ATOM 0 H LYS A 90 -2.638 -17.338 -1.545 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.329 -19.793 -0.135 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -4.914 -17.798 -1.803 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -5.622 -19.211 -1.046 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -4.165 -17.026 0.485 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.900 -17.060 0.246 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -6.115 -19.137 1.471 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -4.379 -19.370 1.505 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.836 -16.805 2.642 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -6.063 -17.853 3.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -4.051 -17.881 4.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.324 -19.417 3.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.136 -18.401 3.317 1.00 0.00 H new ATOM 1477 N SER A 91 -2.691 -19.773 -3.267 1.00 0.00 N ATOM 1478 CA SER A 91 -2.604 -20.586 -4.476 1.00 0.00 C ATOM 1479 C SER A 91 -1.705 -21.806 -4.275 1.00 0.00 C ATOM 1480 O SER A 91 -2.137 -22.942 -4.464 1.00 0.00 O ATOM 1481 CB SER A 91 -2.079 -19.744 -5.641 1.00 0.00 C ATOM 1482 OG SER A 91 -3.145 -19.164 -6.372 1.00 0.00 O ATOM 0 H SER A 91 -2.124 -18.926 -3.286 1.00 0.00 H new ATOM 0 HA SER A 91 -3.608 -20.942 -4.705 1.00 0.00 H new ATOM 0 HB2 SER A 91 -1.425 -18.959 -5.261 1.00 0.00 H new ATOM 0 HB3 SER A 91 -1.477 -20.368 -6.302 1.00 0.00 H new ATOM 0 HG SER A 91 -3.448 -18.350 -5.918 1.00 0.00 H new ATOM 1488 N HIS A 92 -0.442 -21.561 -3.934 1.00 0.00 N ATOM 1489 CA HIS A 92 0.526 -22.642 -3.761 1.00 0.00 C ATOM 1490 C HIS A 92 0.109 -23.624 -2.667 1.00 0.00 C ATOM 1491 O HIS A 92 -0.131 -23.247 -1.519 1.00 0.00 O ATOM 1492 CB HIS A 92 1.914 -22.069 -3.455 1.00 0.00 C ATOM 1493 CG HIS A 92 2.044 -21.489 -2.079 1.00 0.00 C ATOM 1494 ND1 HIS A 92 2.231 -22.087 -0.878 1.00 0.00 N flip ATOM 1495 CD2 HIS A 92 1.990 -20.136 -1.826 1.00 0.00 C flip ATOM 1496 CE1 HIS A 92 2.286 -21.092 0.067 1.00 0.00 C flip ATOM 1497 NE2 HIS A 92 2.138 -19.925 -0.532 1.00 0.00 N flip ATOM 0 H HIS A 92 -0.066 -20.627 -3.772 1.00 0.00 H new ATOM 0 HA HIS A 92 0.561 -23.196 -4.699 1.00 0.00 H new ATOM 0 HB2 HIS A 92 2.656 -22.858 -3.577 1.00 0.00 H new ATOM 0 HB3 HIS A 92 2.146 -21.296 -4.188 1.00 0.00 H new ATOM 0 HD1 HIS A 92 2.315 -23.089 -0.707 1.00 0.00 H new ATOM 0 HD2 HIS A 92 1.848 -19.367 -2.571 1.00 0.00 H new ATOM 0 HE1 HIS A 92 2.427 -21.240 1.127 1.00 0.00 H new ATOM 1506 N GLU A 93 0.026 -24.893 -3.059 1.00 0.00 N ATOM 1507 CA GLU A 93 -0.361 -25.964 -2.146 1.00 0.00 C ATOM 1508 C GLU A 93 0.248 -27.298 -2.569 1.00 0.00 C ATOM 1509 O GLU A 93 0.209 -27.668 -3.743 1.00 0.00 O ATOM 1510 CB GLU A 93 -1.885 -26.083 -2.090 1.00 0.00 C ATOM 1511 CG GLU A 93 -2.386 -26.944 -0.943 1.00 0.00 C ATOM 1512 CD GLU A 93 -3.598 -26.349 -0.253 1.00 0.00 C ATOM 1513 OE1 GLU A 93 -4.692 -26.363 -0.857 1.00 0.00 O ATOM 1514 OE2 GLU A 93 -3.454 -25.868 0.892 1.00 0.00 O ATOM 0 H GLU A 93 0.223 -25.206 -4.010 1.00 0.00 H new ATOM 0 HA GLU A 93 0.019 -25.715 -1.155 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.316 -25.086 -2.000 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.243 -26.501 -3.031 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.638 -27.935 -1.321 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.585 -27.074 -0.215 1.00 0.00 H new ATOM 1521 N LEU A 94 0.805 -28.021 -1.600 1.00 0.00 N ATOM 1522 CA LEU A 94 1.418 -29.318 -1.864 1.00 0.00 C ATOM 1523 C LEU A 94 0.642 -30.432 -1.161 1.00 0.00 C ATOM 1524 O LEU A 94 0.158 -30.248 -0.044 1.00 0.00 O ATOM 1525 CB LEU A 94 2.877 -29.326 -1.404 1.00 0.00 C ATOM 1526 CG LEU A 94 3.110 -28.845 0.032 1.00 0.00 C ATOM 1527 CD1 LEU A 94 4.378 -29.462 0.601 1.00 0.00 C ATOM 1528 CD2 LEU A 94 3.187 -27.325 0.081 1.00 0.00 C ATOM 0 H LEU A 94 0.844 -27.729 -0.624 1.00 0.00 H new ATOM 0 HA LEU A 94 1.388 -29.495 -2.939 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.266 -30.340 -1.498 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.458 -28.698 -2.079 1.00 0.00 H new ATOM 0 HG LEU A 94 2.267 -29.166 0.643 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.528 -29.109 1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.285 -30.548 0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.231 -29.171 -0.012 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.353 -27.002 1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.011 -26.982 -0.545 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.252 -26.901 -0.286 1.00 0.00 H new ATOM 1540 N PRO A 95 0.507 -31.605 -1.807 1.00 0.00 N ATOM 1541 CA PRO A 95 -0.221 -32.737 -1.234 1.00 0.00 C ATOM 1542 C PRO A 95 0.620 -33.531 -0.226 1.00 0.00 C ATOM 1543 O PRO A 95 0.718 -33.147 0.939 1.00 0.00 O ATOM 1544 CB PRO A 95 -0.571 -33.570 -2.468 1.00 0.00 C ATOM 1545 CG PRO A 95 0.544 -33.312 -3.427 1.00 0.00 C ATOM 1546 CD PRO A 95 1.043 -31.914 -3.147 1.00 0.00 C ATOM 0 HA PRO A 95 -1.093 -32.429 -0.656 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -0.645 -34.629 -2.223 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -1.532 -33.272 -2.888 1.00 0.00 H new ATOM 0 HG2 PRO A 95 1.343 -34.042 -3.296 1.00 0.00 H new ATOM 0 HG3 PRO A 95 0.197 -33.400 -4.457 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.132 -31.869 -3.161 1.00 0.00 H new ATOM 0 HD3 PRO A 95 0.684 -31.205 -3.893 1.00 0.00 H new ATOM 1554 N SER A 96 1.221 -34.639 -0.666 1.00 0.00 N ATOM 1555 CA SER A 96 2.035 -35.469 0.218 1.00 0.00 C ATOM 1556 C SER A 96 3.207 -34.680 0.793 1.00 0.00 C ATOM 1557 O SER A 96 4.239 -34.517 0.142 1.00 0.00 O ATOM 1558 CB SER A 96 2.555 -36.694 -0.537 1.00 0.00 C ATOM 1559 OG SER A 96 1.560 -37.699 -0.622 1.00 0.00 O ATOM 0 H SER A 96 1.158 -34.979 -1.626 1.00 0.00 H new ATOM 0 HA SER A 96 1.404 -35.795 1.045 1.00 0.00 H new ATOM 0 HB2 SER A 96 2.868 -36.402 -1.539 1.00 0.00 H new ATOM 0 HB3 SER A 96 3.435 -37.091 -0.031 1.00 0.00 H new ATOM 0 HG SER A 96 1.915 -38.471 -1.110 1.00 0.00 H new ATOM 1565 N HIS A 97 3.041 -34.196 2.022 1.00 0.00 N ATOM 1566 CA HIS A 97 4.083 -33.428 2.699 1.00 0.00 C ATOM 1567 C HIS A 97 3.533 -32.767 3.960 1.00 0.00 C ATOM 1568 O HIS A 97 3.091 -31.619 3.925 1.00 0.00 O ATOM 1569 CB HIS A 97 4.669 -32.363 1.764 1.00 0.00 C ATOM 1570 CG HIS A 97 6.017 -32.724 1.223 1.00 0.00 C ATOM 1571 ND1 HIS A 97 7.071 -33.111 2.025 1.00 0.00 N ATOM 1572 CD2 HIS A 97 6.482 -32.761 -0.047 1.00 0.00 C ATOM 1573 CE1 HIS A 97 8.124 -33.368 1.270 1.00 0.00 C ATOM 1574 NE2 HIS A 97 7.794 -33.164 0.009 1.00 0.00 N ATOM 0 H HIS A 97 2.191 -34.323 2.571 1.00 0.00 H new ATOM 0 HA HIS A 97 4.877 -34.119 2.983 1.00 0.00 H new ATOM 0 HB2 HIS A 97 3.983 -32.203 0.932 1.00 0.00 H new ATOM 0 HB3 HIS A 97 4.743 -31.418 2.303 1.00 0.00 H new ATOM 0 HD2 HIS A 97 5.925 -32.519 -0.940 1.00 0.00 H new ATOM 0 HE1 HIS A 97 9.092 -33.691 1.625 1.00 0.00 H new ATOM 0 HE2 HIS A 97 8.412 -33.286 -0.793 1.00 0.00 H new ATOM 1583 N PRO A 98 3.551 -33.487 5.096 1.00 0.00 N ATOM 1584 CA PRO A 98 3.051 -32.963 6.371 1.00 0.00 C ATOM 1585 C PRO A 98 3.920 -31.828 6.911 1.00 0.00 C ATOM 1586 O PRO A 98 5.055 -32.054 7.328 1.00 0.00 O ATOM 1587 CB PRO A 98 3.113 -34.174 7.306 1.00 0.00 C ATOM 1588 CG PRO A 98 4.150 -35.063 6.712 1.00 0.00 C ATOM 1589 CD PRO A 98 4.062 -34.864 5.225 1.00 0.00 C ATOM 0 HA PRO A 98 2.053 -32.537 6.272 1.00 0.00 H new ATOM 0 HB2 PRO A 98 3.381 -33.877 8.320 1.00 0.00 H new ATOM 0 HB3 PRO A 98 2.148 -34.677 7.365 1.00 0.00 H new ATOM 0 HG2 PRO A 98 5.143 -34.806 7.082 1.00 0.00 H new ATOM 0 HG3 PRO A 98 3.970 -36.105 6.978 1.00 0.00 H new ATOM 0 HD2 PRO A 98 5.034 -34.979 4.746 1.00 0.00 H new ATOM 0 HD3 PRO A 98 3.391 -35.587 4.762 1.00 0.00 H new ATOM 1597 N PRO A 99 3.399 -30.587 6.909 1.00 0.00 N ATOM 1598 CA PRO A 99 4.140 -29.423 7.400 1.00 0.00 C ATOM 1599 C PRO A 99 4.210 -29.375 8.925 1.00 0.00 C ATOM 1600 O PRO A 99 3.327 -29.892 9.610 1.00 0.00 O ATOM 1601 CB PRO A 99 3.327 -28.244 6.867 1.00 0.00 C ATOM 1602 CG PRO A 99 1.933 -28.762 6.781 1.00 0.00 C ATOM 1603 CD PRO A 99 2.052 -30.220 6.427 1.00 0.00 C ATOM 0 HA PRO A 99 5.179 -29.432 7.071 1.00 0.00 H new ATOM 0 HB2 PRO A 99 3.391 -27.384 7.534 1.00 0.00 H new ATOM 0 HB3 PRO A 99 3.691 -27.919 5.892 1.00 0.00 H new ATOM 0 HG2 PRO A 99 1.410 -28.632 7.728 1.00 0.00 H new ATOM 0 HG3 PRO A 99 1.362 -28.222 6.025 1.00 0.00 H new ATOM 0 HD2 PRO A 99 1.277 -30.814 6.911 1.00 0.00 H new ATOM 0 HD3 PRO A 99 1.953 -30.381 5.354 1.00 0.00 H new ATOM 1611 N PRO A 100 5.265 -28.752 9.477 1.00 0.00 N ATOM 1612 CA PRO A 100 5.444 -28.639 10.929 1.00 0.00 C ATOM 1613 C PRO A 100 4.456 -27.662 11.558 1.00 0.00 C ATOM 1614 O PRO A 100 3.588 -27.117 10.877 1.00 0.00 O ATOM 1615 CB PRO A 100 6.875 -28.115 11.068 1.00 0.00 C ATOM 1616 CG PRO A 100 7.131 -27.377 9.801 1.00 0.00 C ATOM 1617 CD PRO A 100 6.364 -28.107 8.732 1.00 0.00 C ATOM 0 HA PRO A 100 5.271 -29.587 11.438 1.00 0.00 H new ATOM 0 HB2 PRO A 100 6.975 -27.461 11.934 1.00 0.00 H new ATOM 0 HB3 PRO A 100 7.585 -28.932 11.201 1.00 0.00 H new ATOM 0 HG2 PRO A 100 6.801 -26.341 9.880 1.00 0.00 H new ATOM 0 HG3 PRO A 100 8.196 -27.355 9.571 1.00 0.00 H new ATOM 0 HD2 PRO A 100 5.987 -27.424 7.971 1.00 0.00 H new ATOM 0 HD3 PRO A 100 6.987 -28.841 8.221 1.00 0.00 H new ATOM 1625 N SER A 101 4.596 -27.443 12.861 1.00 0.00 N ATOM 1626 CA SER A 101 3.716 -26.530 13.581 1.00 0.00 C ATOM 1627 C SER A 101 4.127 -26.419 15.046 1.00 0.00 C ATOM 1628 O SER A 101 5.029 -27.122 15.503 1.00 0.00 O ATOM 1629 CB SER A 101 2.264 -27.002 13.482 1.00 0.00 C ATOM 1630 OG SER A 101 1.378 -25.903 13.360 1.00 0.00 O ATOM 0 H SER A 101 5.310 -27.885 13.440 1.00 0.00 H new ATOM 0 HA SER A 101 3.803 -25.545 13.122 1.00 0.00 H new ATOM 0 HB2 SER A 101 2.151 -27.662 12.622 1.00 0.00 H new ATOM 0 HB3 SER A 101 2.006 -27.584 14.367 1.00 0.00 H new ATOM 0 HG SER A 101 0.457 -26.231 13.297 1.00 0.00 H new ATOM 1636 N SER A 102 3.460 -25.532 15.778 1.00 0.00 N ATOM 1637 CA SER A 102 3.756 -25.330 17.191 1.00 0.00 C ATOM 1638 C SER A 102 2.787 -24.329 17.812 1.00 0.00 C ATOM 1639 O SER A 102 1.832 -24.771 18.485 1.00 0.00 O ATOM 1640 CB SER A 102 5.195 -24.841 17.368 1.00 0.00 C ATOM 1641 OG SER A 102 5.786 -25.401 18.527 1.00 0.00 O ATOM 1642 OXT SER A 102 2.990 -23.112 17.620 1.00 0.00 O ATOM 0 H SER A 102 2.711 -24.942 15.415 1.00 0.00 H new ATOM 0 HA SER A 102 3.639 -26.286 17.701 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.784 -25.109 16.491 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.206 -23.753 17.440 1.00 0.00 H new ATOM 0 HG SER A 102 6.706 -25.074 18.616 1.00 0.00 H new TER 1648 SER A 102