USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 820 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 98 ASN : amide:sc= -1.72 K(o=-1.7,f=-4.1!) USER MOD Set 1.2: A 99 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 37 ASN : amide:sc= 0 K(o=-0.01,f=-4.8!) USER MOD Set 2.2: A 70 LYS NZ :NH3+ 162:sc= -0.0102 (180deg=-0.399) USER MOD Set 3.1: A 5 ASN :FLIP amide:sc= -0.806 F(o=-2.5!,f=0.45) USER MOD Set 3.2: A 9 SER OG : rot 124:sc= 1.26 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc=-0.00585 (180deg=-0.163) USER MOD Single : A 3 GLN : amide:sc= -2.75! X(o=-2.8!,f=-2.4) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.182 K(o=-0.18,f=-0.86) USER MOD Single : A 15 TYR OH : rot 30:sc= -0.219 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0213 USER MOD Single : A 22 HIS : no HE2:sc= -1.2 K(o=-1.2,f=-4!) USER MOD Single : A 24 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.216) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.0487 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -2.14! C(o=-2.1!,f=-5!) USER MOD Single : A 35 LYS NZ :NH3+ -139:sc= -0.264 (180deg=-1.38!) USER MOD Single : A 36 ASN : amide:sc= -2.95! C(o=-2.9!,f=-5.4!) USER MOD Single : A 45 ASN : amide:sc= -3.13 K(o=-3.1,f=-4.3!) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.319 K(o=-0.32,f=-0.91) USER MOD Single : A 55 ASN : amide:sc= -0.639 X(o=-0.64,f=-0.38) USER MOD Single : A 56 SER OG : rot -60:sc= 0.982 USER MOD Single : A 60 HIS : no HD1:sc= -1.86 K(o=-1.9,f=-3.8!) USER MOD Single : A 64 SER OG : rot -65:sc= 0.449 USER MOD Single : A 66 TYR OH : rot 82:sc= -0.0177 USER MOD Single : A 71 SER OG : rot 9:sc= 0.702 USER MOD Single : A 73 ASN : amide:sc= -1.31! C(o=-1.3!,f=-11!) USER MOD Single : A 76 ASN :FLIP amide:sc= -1.49! C(o=-3.9!,f=-1.5!) USER MOD Single : A 78 GLN :FLIP amide:sc= -0.371 F(o=-2.6!,f=-0.37) USER MOD Single : A 83 ASN : amide:sc= -0.0535 X(o=-0.054,f=0) USER MOD Single : A 86 LYS NZ :NH3+ -161:sc= -0.0399 (180deg=-0.375) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.0892 F(o=-2.1!,f=-0.089) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -35:sc= 0.819 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.439 K(o=-0.44,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.742 14.210 -8.068 1.00 0.00 N ATOM 2 CA MET A 1 -10.162 14.559 -6.681 1.00 0.00 C ATOM 3 C MET A 1 -10.609 13.293 -5.955 1.00 0.00 C ATOM 4 O MET A 1 -10.312 13.106 -4.776 1.00 0.00 O ATOM 5 CB MET A 1 -11.316 15.563 -6.738 1.00 0.00 C ATOM 6 CG MET A 1 -11.483 16.229 -5.371 1.00 0.00 C ATOM 7 SD MET A 1 -12.806 17.463 -5.458 1.00 0.00 S ATOM 8 CE MET A 1 -12.828 17.895 -3.700 1.00 0.00 C ATOM 0 H1 MET A 1 -9.250 15.020 -8.496 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.101 13.391 -8.041 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.581 13.975 -8.636 1.00 0.00 H new ATOM 0 HA MET A 1 -9.325 15.005 -6.143 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.118 16.317 -7.500 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.238 15.057 -7.023 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.719 15.479 -4.616 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.549 16.702 -5.069 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.587 18.657 -3.522 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.059 17.008 -3.110 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.851 18.281 -3.408 1.00 0.00 H new ATOM 18 N GLU A 2 -11.323 12.429 -6.668 1.00 0.00 N ATOM 19 CA GLU A 2 -11.805 11.184 -6.083 1.00 0.00 C ATOM 20 C GLU A 2 -10.682 10.154 -6.025 1.00 0.00 C ATOM 21 O GLU A 2 -10.784 9.149 -5.325 1.00 0.00 O ATOM 22 CB GLU A 2 -12.963 10.632 -6.918 1.00 0.00 C ATOM 23 CG GLU A 2 -12.467 10.287 -8.327 1.00 0.00 C ATOM 24 CD GLU A 2 -11.814 8.909 -8.330 1.00 0.00 C ATOM 25 OE1 GLU A 2 -12.476 7.961 -7.938 1.00 0.00 O ATOM 26 OE2 GLU A 2 -10.663 8.820 -8.723 1.00 0.00 O ATOM 0 H GLU A 2 -11.579 12.567 -7.646 1.00 0.00 H new ATOM 0 HA GLU A 2 -12.151 11.387 -5.070 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.377 9.744 -6.440 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -13.766 11.367 -6.975 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -13.301 10.304 -9.029 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -11.752 11.038 -8.663 1.00 0.00 H new ATOM 33 N GLN A 3 -9.616 10.417 -6.770 1.00 0.00 N ATOM 34 CA GLN A 3 -8.469 9.514 -6.810 1.00 0.00 C ATOM 35 C GLN A 3 -8.086 9.054 -5.408 1.00 0.00 C ATOM 36 O GLN A 3 -8.367 7.919 -5.020 1.00 0.00 O ATOM 37 CB GLN A 3 -7.277 10.225 -7.458 1.00 0.00 C ATOM 38 CG GLN A 3 -6.116 9.234 -7.655 1.00 0.00 C ATOM 39 CD GLN A 3 -5.546 9.361 -9.066 1.00 0.00 C ATOM 40 OE1 GLN A 3 -5.000 10.404 -9.423 1.00 0.00 O ATOM 41 NE2 GLN A 3 -5.645 8.356 -9.892 1.00 0.00 N ATOM 0 H GLN A 3 -9.520 11.247 -7.355 1.00 0.00 H new ATOM 0 HA GLN A 3 -8.743 8.638 -7.398 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -7.573 10.647 -8.419 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -6.954 11.056 -6.831 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -5.334 9.428 -6.921 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -6.466 8.215 -7.487 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -6.098 7.493 -9.593 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -5.269 8.434 -10.837 1.00 0.00 H new ATOM 50 N PHE A 4 -7.449 9.941 -4.650 1.00 0.00 N ATOM 51 CA PHE A 4 -7.039 9.612 -3.290 1.00 0.00 C ATOM 52 C PHE A 4 -8.143 8.832 -2.592 1.00 0.00 C ATOM 53 O PHE A 4 -7.907 7.763 -2.032 1.00 0.00 O ATOM 54 CB PHE A 4 -6.745 10.899 -2.509 1.00 0.00 C ATOM 55 CG PHE A 4 -5.318 11.331 -2.762 1.00 0.00 C ATOM 56 CD1 PHE A 4 -5.003 12.065 -3.911 1.00 0.00 C ATOM 57 CD2 PHE A 4 -4.313 10.997 -1.847 1.00 0.00 C ATOM 58 CE1 PHE A 4 -3.681 12.465 -4.145 1.00 0.00 C ATOM 59 CE2 PHE A 4 -2.992 11.397 -2.081 1.00 0.00 C ATOM 60 CZ PHE A 4 -2.676 12.131 -3.230 1.00 0.00 C ATOM 0 H PHE A 4 -7.207 10.885 -4.951 1.00 0.00 H new ATOM 0 HA PHE A 4 -6.137 9.001 -3.329 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -7.434 11.687 -2.814 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.902 10.734 -1.443 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -5.779 12.323 -4.617 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.557 10.431 -0.960 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.437 13.031 -5.032 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.217 11.139 -1.375 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.657 12.440 -3.411 1.00 0.00 H new ATOM 70 N ASN A 5 -9.347 9.379 -2.637 1.00 0.00 N ATOM 71 CA ASN A 5 -10.491 8.733 -2.008 1.00 0.00 C ATOM 72 C ASN A 5 -10.720 7.343 -2.598 1.00 0.00 C ATOM 73 O ASN A 5 -11.221 6.449 -1.921 1.00 0.00 O ATOM 74 CB ASN A 5 -11.747 9.586 -2.206 1.00 0.00 C ATOM 75 CG ASN A 5 -12.837 9.145 -1.234 1.00 0.00 C ATOM 76 OD1 ASN A 5 -12.981 7.877 -0.961 1.00 0.00 O flip ATOM 77 ND2 ASN A 5 -13.574 9.978 -0.709 1.00 0.00 N flip ATOM 0 H ASN A 5 -9.558 10.263 -3.099 1.00 0.00 H new ATOM 0 HA ASN A 5 -10.283 8.631 -0.943 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -11.511 10.638 -2.047 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -12.103 9.491 -3.232 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -13.459 10.968 -0.924 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -14.300 9.678 -0.058 1.00 0.00 H new ATOM 84 N ALA A 6 -10.357 7.169 -3.866 1.00 0.00 N ATOM 85 CA ALA A 6 -10.542 5.883 -4.533 1.00 0.00 C ATOM 86 C ALA A 6 -9.413 4.914 -4.184 1.00 0.00 C ATOM 87 O ALA A 6 -9.653 3.843 -3.622 1.00 0.00 O ATOM 88 CB ALA A 6 -10.596 6.089 -6.048 1.00 0.00 C ATOM 0 H ALA A 6 -9.937 7.894 -4.448 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.482 5.452 -4.188 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -10.734 5.127 -6.541 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -11.429 6.747 -6.296 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.664 6.540 -6.387 1.00 0.00 H new ATOM 94 N PHE A 7 -8.185 5.293 -4.519 1.00 0.00 N ATOM 95 CA PHE A 7 -7.034 4.444 -4.233 1.00 0.00 C ATOM 96 C PHE A 7 -6.936 4.176 -2.731 1.00 0.00 C ATOM 97 O PHE A 7 -6.783 3.032 -2.304 1.00 0.00 O ATOM 98 CB PHE A 7 -5.748 5.116 -4.750 1.00 0.00 C ATOM 99 CG PHE A 7 -4.634 4.968 -3.739 1.00 0.00 C ATOM 100 CD1 PHE A 7 -4.200 6.080 -3.006 1.00 0.00 C ATOM 101 CD2 PHE A 7 -4.034 3.720 -3.536 1.00 0.00 C ATOM 102 CE1 PHE A 7 -3.169 5.943 -2.070 1.00 0.00 C ATOM 103 CE2 PHE A 7 -3.002 3.582 -2.600 1.00 0.00 C ATOM 104 CZ PHE A 7 -2.570 4.694 -1.867 1.00 0.00 C ATOM 0 H PHE A 7 -7.962 6.173 -4.984 1.00 0.00 H new ATOM 0 HA PHE A 7 -7.158 3.489 -4.744 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -5.450 4.666 -5.697 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.934 6.172 -4.943 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.661 7.044 -3.163 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.367 2.863 -4.102 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.835 6.800 -1.504 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.540 2.619 -2.443 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.774 4.588 -1.145 1.00 0.00 H new ATOM 114 N LYS A 8 -7.027 5.238 -1.940 1.00 0.00 N ATOM 115 CA LYS A 8 -6.949 5.113 -0.488 1.00 0.00 C ATOM 116 C LYS A 8 -8.069 4.225 0.047 1.00 0.00 C ATOM 117 O LYS A 8 -7.820 3.292 0.817 1.00 0.00 O ATOM 118 CB LYS A 8 -7.051 6.497 0.159 1.00 0.00 C ATOM 119 CG LYS A 8 -6.624 6.410 1.628 1.00 0.00 C ATOM 120 CD LYS A 8 -6.360 7.818 2.168 1.00 0.00 C ATOM 121 CE LYS A 8 -7.642 8.649 2.080 1.00 0.00 C ATOM 122 NZ LYS A 8 -7.511 9.859 2.940 1.00 0.00 N ATOM 0 H LYS A 8 -7.154 6.192 -2.277 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.991 4.656 -0.239 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.417 7.206 -0.373 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -8.073 6.868 0.088 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.403 5.924 2.216 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.726 5.799 1.721 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.020 7.764 3.202 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.565 8.295 1.595 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.827 8.943 1.047 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.497 8.053 2.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.382 10.424 2.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.354 9.569 3.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.705 10.430 2.615 1.00 0.00 H new ATOM 136 N SER A 9 -9.306 4.520 -0.344 1.00 0.00 N ATOM 137 CA SER A 9 -10.423 3.725 0.139 1.00 0.00 C ATOM 138 C SER A 9 -10.151 2.252 -0.126 1.00 0.00 C ATOM 139 O SER A 9 -10.629 1.381 0.600 1.00 0.00 O ATOM 140 CB SER A 9 -11.731 4.153 -0.526 1.00 0.00 C ATOM 141 OG SER A 9 -12.107 5.435 -0.040 1.00 0.00 O ATOM 0 H SER A 9 -9.553 5.282 -0.976 1.00 0.00 H new ATOM 0 HA SER A 9 -10.527 3.886 1.212 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.609 4.183 -1.609 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.515 3.426 -0.314 1.00 0.00 H new ATOM 0 HG SER A 9 -12.218 6.051 -0.794 1.00 0.00 H new ATOM 147 N LEU A 10 -9.354 1.979 -1.159 1.00 0.00 N ATOM 148 CA LEU A 10 -9.006 0.605 -1.483 1.00 0.00 C ATOM 149 C LEU A 10 -8.307 -0.025 -0.285 1.00 0.00 C ATOM 150 O LEU A 10 -8.679 -1.108 0.168 1.00 0.00 O ATOM 151 CB LEU A 10 -8.078 0.563 -2.707 1.00 0.00 C ATOM 152 CG LEU A 10 -8.274 -0.752 -3.480 1.00 0.00 C ATOM 153 CD1 LEU A 10 -7.157 -0.907 -4.517 1.00 0.00 C ATOM 154 CD2 LEU A 10 -8.228 -1.942 -2.515 1.00 0.00 C ATOM 0 H LEU A 10 -8.945 2.682 -1.774 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.914 0.049 -1.717 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.287 1.411 -3.359 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.040 0.654 -2.388 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.243 -0.727 -3.978 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.296 -1.839 -5.065 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.188 -0.069 -5.213 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.191 -0.924 -4.012 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.368 -2.868 -3.072 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.262 -1.964 -2.011 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.022 -1.841 -1.775 1.00 0.00 H new ATOM 166 N LEU A 11 -7.300 0.673 0.237 1.00 0.00 N ATOM 167 CA LEU A 11 -6.570 0.178 1.395 1.00 0.00 C ATOM 168 C LEU A 11 -7.559 -0.196 2.491 1.00 0.00 C ATOM 169 O LEU A 11 -7.458 -1.267 3.081 1.00 0.00 O ATOM 170 CB LEU A 11 -5.585 1.235 1.906 1.00 0.00 C ATOM 171 CG LEU A 11 -4.302 1.204 1.062 1.00 0.00 C ATOM 172 CD1 LEU A 11 -3.646 2.587 1.079 1.00 0.00 C ATOM 173 CD2 LEU A 11 -3.326 0.175 1.643 1.00 0.00 C ATOM 0 H LEU A 11 -6.976 1.572 -0.120 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.999 -0.704 1.105 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.040 2.224 1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.347 1.047 2.953 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.553 0.929 0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.736 2.565 0.480 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.336 3.322 0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.399 2.860 2.105 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.417 0.156 1.042 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.077 0.448 2.668 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.789 -0.812 1.633 1.00 0.00 H new ATOM 185 N LYS A 12 -8.532 0.677 2.740 1.00 0.00 N ATOM 186 CA LYS A 12 -9.550 0.390 3.754 1.00 0.00 C ATOM 187 C LYS A 12 -9.918 -1.093 3.699 1.00 0.00 C ATOM 188 O LYS A 12 -9.798 -1.812 4.691 1.00 0.00 O ATOM 189 CB LYS A 12 -10.797 1.252 3.498 1.00 0.00 C ATOM 190 CG LYS A 12 -11.348 1.788 4.825 1.00 0.00 C ATOM 191 CD LYS A 12 -12.527 2.724 4.545 1.00 0.00 C ATOM 192 CE LYS A 12 -12.902 3.483 5.821 1.00 0.00 C ATOM 193 NZ LYS A 12 -13.655 2.579 6.736 1.00 0.00 N ATOM 0 H LYS A 12 -8.639 1.573 2.265 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.156 0.626 4.742 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.546 2.082 2.838 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.560 0.661 2.991 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.668 0.961 5.459 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.567 2.321 5.367 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.264 3.429 3.756 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.382 2.150 4.188 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.003 3.851 6.315 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.509 4.354 5.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.909 3.095 7.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.520 2.249 6.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.061 1.761 6.982 1.00 0.00 H new ATOM 207 N LYS A 13 -10.336 -1.545 2.521 1.00 0.00 N ATOM 208 CA LYS A 13 -10.687 -2.948 2.325 1.00 0.00 C ATOM 209 C LYS A 13 -9.555 -3.844 2.825 1.00 0.00 C ATOM 210 O LYS A 13 -9.790 -4.887 3.435 1.00 0.00 O ATOM 211 CB LYS A 13 -10.924 -3.208 0.828 1.00 0.00 C ATOM 212 CG LYS A 13 -12.234 -3.982 0.631 1.00 0.00 C ATOM 213 CD LYS A 13 -13.427 -3.027 0.782 1.00 0.00 C ATOM 214 CE LYS A 13 -14.613 -3.770 1.403 1.00 0.00 C ATOM 215 NZ LYS A 13 -14.446 -3.824 2.883 1.00 0.00 N ATOM 0 H LYS A 13 -10.440 -0.963 1.690 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.594 -3.174 2.886 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.966 -2.262 0.288 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.091 -3.775 0.413 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -12.249 -4.445 -0.356 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.305 -4.787 1.362 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.149 -2.180 1.409 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.708 -2.625 -0.191 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -15.545 -3.265 1.150 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -14.677 -4.779 0.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -15.251 -4.329 3.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.564 -4.324 3.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.406 -2.857 3.263 1.00 0.00 H new ATOM 229 N HIS A 14 -8.327 -3.421 2.548 1.00 0.00 N ATOM 230 CA HIS A 14 -7.140 -4.169 2.949 1.00 0.00 C ATOM 231 C HIS A 14 -6.913 -4.101 4.457 1.00 0.00 C ATOM 232 O HIS A 14 -6.937 -5.122 5.145 1.00 0.00 O ATOM 233 CB HIS A 14 -5.914 -3.592 2.238 1.00 0.00 C ATOM 234 CG HIS A 14 -4.774 -4.567 2.330 1.00 0.00 C ATOM 235 ND1 HIS A 14 -4.930 -5.839 2.858 1.00 0.00 N ATOM 236 CD2 HIS A 14 -3.454 -4.472 1.965 1.00 0.00 C ATOM 237 CE1 HIS A 14 -3.735 -6.453 2.798 1.00 0.00 C ATOM 238 NE2 HIS A 14 -2.800 -5.665 2.261 1.00 0.00 N ATOM 0 H HIS A 14 -8.126 -2.558 2.044 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.292 -5.212 2.672 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -6.149 -3.389 1.193 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -5.631 -2.642 2.692 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.993 -3.604 1.517 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -3.554 -7.461 3.142 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -1.818 -5.889 2.102 1.00 0.00 H new ATOM 247 N TYR A 15 -6.670 -2.896 4.960 1.00 0.00 N ATOM 248 CA TYR A 15 -6.411 -2.700 6.380 1.00 0.00 C ATOM 249 C TYR A 15 -7.711 -2.690 7.179 1.00 0.00 C ATOM 250 O TYR A 15 -7.772 -2.124 8.271 1.00 0.00 O ATOM 251 CB TYR A 15 -5.675 -1.368 6.583 1.00 0.00 C ATOM 252 CG TYR A 15 -4.183 -1.562 6.405 1.00 0.00 C ATOM 253 CD1 TYR A 15 -3.695 -2.391 5.385 1.00 0.00 C ATOM 254 CD2 TYR A 15 -3.289 -0.909 7.262 1.00 0.00 C ATOM 255 CE1 TYR A 15 -2.315 -2.565 5.225 1.00 0.00 C ATOM 256 CE2 TYR A 15 -1.909 -1.084 7.102 1.00 0.00 C ATOM 257 CZ TYR A 15 -1.423 -1.912 6.084 1.00 0.00 C ATOM 258 OH TYR A 15 -0.062 -2.084 5.926 1.00 0.00 O ATOM 0 H TYR A 15 -6.647 -2.041 4.405 1.00 0.00 H new ATOM 0 HA TYR A 15 -5.796 -3.526 6.736 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -6.041 -0.630 5.869 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -5.882 -0.978 7.580 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -4.383 -2.895 4.723 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -3.664 -0.270 8.047 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.939 -3.203 4.439 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.220 -0.580 7.764 1.00 0.00 H new ATOM 0 HH TYR A 15 0.139 -2.253 4.982 1.00 0.00 H new ATOM 268 N GLU A 16 -8.747 -3.321 6.640 1.00 0.00 N ATOM 269 CA GLU A 16 -10.032 -3.372 7.329 1.00 0.00 C ATOM 270 C GLU A 16 -9.860 -3.939 8.736 1.00 0.00 C ATOM 271 O GLU A 16 -10.540 -3.520 9.672 1.00 0.00 O ATOM 272 CB GLU A 16 -11.012 -4.245 6.540 1.00 0.00 C ATOM 273 CG GLU A 16 -12.445 -3.976 7.012 1.00 0.00 C ATOM 274 CD GLU A 16 -12.640 -4.516 8.425 1.00 0.00 C ATOM 275 OE1 GLU A 16 -12.238 -5.642 8.670 1.00 0.00 O ATOM 276 OE2 GLU A 16 -13.189 -3.795 9.243 1.00 0.00 O ATOM 0 H GLU A 16 -8.725 -3.799 5.739 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.427 -2.359 7.403 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.925 -4.033 5.474 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.766 -5.298 6.677 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.648 -2.905 6.992 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -13.155 -4.448 6.333 1.00 0.00 H new ATOM 283 N LYS A 17 -8.945 -4.896 8.877 1.00 0.00 N ATOM 284 CA LYS A 17 -8.691 -5.516 10.174 1.00 0.00 C ATOM 285 C LYS A 17 -7.633 -4.733 10.946 1.00 0.00 C ATOM 286 O LYS A 17 -7.644 -4.702 12.176 1.00 0.00 O ATOM 287 CB LYS A 17 -8.215 -6.959 9.980 1.00 0.00 C ATOM 288 CG LYS A 17 -9.030 -7.626 8.870 1.00 0.00 C ATOM 289 CD LYS A 17 -8.578 -9.080 8.711 1.00 0.00 C ATOM 290 CE LYS A 17 -9.101 -9.638 7.386 1.00 0.00 C ATOM 291 NZ LYS A 17 -8.555 -11.010 7.175 1.00 0.00 N ATOM 0 H LYS A 17 -8.371 -5.256 8.115 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.620 -5.511 10.744 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.156 -6.971 9.724 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.325 -7.517 10.910 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.092 -7.588 9.111 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.896 -7.087 7.932 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.490 -9.138 8.737 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.950 -9.680 9.542 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.191 -9.666 7.396 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.806 -8.987 6.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.910 -11.390 6.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.516 -10.970 7.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.858 -11.628 7.955 1.00 0.00 H new ATOM 305 N THR A 18 -6.718 -4.107 10.214 1.00 0.00 N ATOM 306 CA THR A 18 -5.653 -3.330 10.839 1.00 0.00 C ATOM 307 C THR A 18 -6.177 -1.966 11.288 1.00 0.00 C ATOM 308 O THR A 18 -5.536 -0.938 11.066 1.00 0.00 O ATOM 309 CB THR A 18 -4.494 -3.149 9.844 1.00 0.00 C ATOM 310 OG1 THR A 18 -4.596 -4.134 8.824 1.00 0.00 O ATOM 311 CG2 THR A 18 -3.151 -3.304 10.564 1.00 0.00 C ATOM 0 H THR A 18 -6.691 -4.122 9.194 1.00 0.00 H new ATOM 0 HA THR A 18 -5.294 -3.867 11.717 1.00 0.00 H new ATOM 0 HB THR A 18 -4.550 -2.152 9.407 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.860 -4.022 8.186 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.338 -3.174 9.850 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.069 -2.551 11.348 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.089 -4.298 11.008 1.00 0.00 H new ATOM 319 N ILE A 19 -7.347 -1.966 11.918 1.00 0.00 N ATOM 320 CA ILE A 19 -7.950 -0.723 12.390 1.00 0.00 C ATOM 321 C ILE A 19 -6.974 0.054 13.273 1.00 0.00 C ATOM 322 O ILE A 19 -6.283 0.946 12.788 1.00 0.00 O ATOM 323 CB ILE A 19 -9.245 -1.025 13.157 1.00 0.00 C ATOM 324 CG1 ILE A 19 -9.758 0.262 13.820 1.00 0.00 C ATOM 325 CG2 ILE A 19 -8.992 -2.099 14.230 1.00 0.00 C ATOM 326 CD1 ILE A 19 -11.238 0.097 14.174 1.00 0.00 C ATOM 0 H ILE A 19 -7.894 -2.805 12.113 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.189 -0.104 11.525 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.993 -1.399 12.458 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -9.180 0.477 14.719 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -9.626 1.109 13.146 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.919 -2.303 14.766 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -8.639 -3.014 13.753 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.238 -1.742 14.932 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.603 1.010 14.645 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -11.810 -0.097 13.267 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -11.356 -0.739 14.863 1.00 0.00 H new ATOM 338 N GLY A 20 -6.931 -0.275 14.566 1.00 0.00 N ATOM 339 CA GLY A 20 -6.042 0.413 15.505 1.00 0.00 C ATOM 340 C GLY A 20 -4.858 1.044 14.783 1.00 0.00 C ATOM 341 O GLY A 20 -4.697 2.264 14.781 1.00 0.00 O ATOM 0 H GLY A 20 -7.499 -1.011 14.986 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.599 1.184 16.038 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -5.681 -0.294 16.252 1.00 0.00 H new ATOM 345 N PHE A 21 -4.042 0.202 14.162 1.00 0.00 N ATOM 346 CA PHE A 21 -2.878 0.687 13.425 1.00 0.00 C ATOM 347 C PHE A 21 -3.250 1.926 12.618 1.00 0.00 C ATOM 348 O PHE A 21 -2.535 2.928 12.631 1.00 0.00 O ATOM 349 CB PHE A 21 -2.370 -0.407 12.484 1.00 0.00 C ATOM 350 CG PHE A 21 -1.031 -0.004 11.910 1.00 0.00 C ATOM 351 CD1 PHE A 21 -0.905 0.261 10.540 1.00 0.00 C ATOM 352 CD2 PHE A 21 0.086 0.099 12.747 1.00 0.00 C ATOM 353 CE1 PHE A 21 0.337 0.628 10.009 1.00 0.00 C ATOM 354 CE2 PHE A 21 1.326 0.467 12.216 1.00 0.00 C ATOM 355 CZ PHE A 21 1.452 0.731 10.848 1.00 0.00 C ATOM 0 H PHE A 21 -4.161 -0.811 14.152 1.00 0.00 H new ATOM 0 HA PHE A 21 -2.092 0.947 14.134 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.276 -1.350 13.023 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.087 -0.570 11.680 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.766 0.182 9.893 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.010 -0.106 13.803 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.435 0.831 8.953 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.187 0.548 12.863 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.411 1.015 10.439 1.00 0.00 H new ATOM 365 N HIS A 22 -4.379 1.846 11.922 1.00 0.00 N ATOM 366 CA HIS A 22 -4.854 2.962 11.113 1.00 0.00 C ATOM 367 C HIS A 22 -5.262 4.135 11.997 1.00 0.00 C ATOM 368 O HIS A 22 -5.231 5.282 11.557 1.00 0.00 O ATOM 369 CB HIS A 22 -6.039 2.525 10.248 1.00 0.00 C ATOM 370 CG HIS A 22 -6.257 3.530 9.151 1.00 0.00 C ATOM 371 ND1 HIS A 22 -6.688 4.822 9.410 1.00 0.00 N ATOM 372 CD2 HIS A 22 -6.109 3.450 7.789 1.00 0.00 C ATOM 373 CE1 HIS A 22 -6.783 5.462 8.231 1.00 0.00 C ATOM 374 NE2 HIS A 22 -6.442 4.671 7.210 1.00 0.00 N ATOM 0 H HIS A 22 -4.981 1.022 11.902 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.039 3.282 10.464 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.848 1.541 9.821 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -6.937 2.438 10.860 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -6.895 5.216 10.328 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -5.784 2.573 7.249 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -7.097 6.490 8.123 1.00 0.00 H new ATOM 383 N ASP A 23 -5.616 3.860 13.245 1.00 0.00 N ATOM 384 CA ASP A 23 -5.992 4.931 14.165 1.00 0.00 C ATOM 385 C ASP A 23 -4.750 5.421 14.900 1.00 0.00 C ATOM 386 O ASP A 23 -4.809 6.346 15.711 1.00 0.00 O ATOM 387 CB ASP A 23 -7.029 4.427 15.172 1.00 0.00 C ATOM 388 CG ASP A 23 -7.698 5.609 15.865 1.00 0.00 C ATOM 389 OD1 ASP A 23 -8.648 6.136 15.311 1.00 0.00 O ATOM 390 OD2 ASP A 23 -7.251 5.971 16.941 1.00 0.00 O ATOM 0 H ASP A 23 -5.652 2.921 13.642 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.430 5.753 13.599 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.779 3.821 14.663 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.549 3.785 15.911 1.00 0.00 H new ATOM 395 N LYS A 24 -3.629 4.775 14.605 1.00 0.00 N ATOM 396 CA LYS A 24 -2.352 5.110 15.223 1.00 0.00 C ATOM 397 C LYS A 24 -1.542 6.082 14.359 1.00 0.00 C ATOM 398 O LYS A 24 -1.367 7.242 14.736 1.00 0.00 O ATOM 399 CB LYS A 24 -1.550 3.819 15.462 1.00 0.00 C ATOM 400 CG LYS A 24 -1.222 3.666 16.955 1.00 0.00 C ATOM 401 CD LYS A 24 -0.258 4.775 17.399 1.00 0.00 C ATOM 402 CE LYS A 24 0.557 4.297 18.603 1.00 0.00 C ATOM 403 NZ LYS A 24 -0.365 3.942 19.719 1.00 0.00 N ATOM 0 H LYS A 24 -3.579 4.008 13.934 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.550 5.606 16.173 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.123 2.958 15.118 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.628 3.842 14.880 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.138 3.713 17.543 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.775 2.689 17.139 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.409 5.041 16.579 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.817 5.674 17.660 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.160 3.432 18.327 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.247 5.078 18.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.175 3.864 20.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.089 4.682 19.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.825 3.032 19.513 1.00 0.00 H new ATOM 417 N TYR A 25 -1.025 5.615 13.221 1.00 0.00 N ATOM 418 CA TYR A 25 -0.212 6.479 12.359 1.00 0.00 C ATOM 419 C TYR A 25 -0.917 6.820 11.044 1.00 0.00 C ATOM 420 O TYR A 25 -1.301 7.968 10.819 1.00 0.00 O ATOM 421 CB TYR A 25 1.124 5.799 12.054 1.00 0.00 C ATOM 422 CG TYR A 25 1.643 5.122 13.301 1.00 0.00 C ATOM 423 CD1 TYR A 25 1.529 3.733 13.443 1.00 0.00 C ATOM 424 CD2 TYR A 25 2.240 5.882 14.314 1.00 0.00 C ATOM 425 CE1 TYR A 25 2.011 3.105 14.598 1.00 0.00 C ATOM 426 CE2 TYR A 25 2.723 5.254 15.469 1.00 0.00 C ATOM 427 CZ TYR A 25 2.608 3.865 15.611 1.00 0.00 C ATOM 428 OH TYR A 25 3.084 3.247 16.749 1.00 0.00 O ATOM 0 H TYR A 25 -1.150 4.662 12.878 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.049 7.411 12.900 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.998 5.067 11.256 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.846 6.535 11.700 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.069 3.146 12.661 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.328 6.953 14.205 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.922 2.034 14.707 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.184 5.840 16.250 1.00 0.00 H new ATOM 0 HH TYR A 25 3.469 3.919 17.350 1.00 0.00 H new ATOM 438 N ILE A 26 -1.059 5.826 10.171 1.00 0.00 N ATOM 439 CA ILE A 26 -1.693 6.038 8.868 1.00 0.00 C ATOM 440 C ILE A 26 -2.915 6.954 8.985 1.00 0.00 C ATOM 441 O ILE A 26 -3.396 7.477 7.981 1.00 0.00 O ATOM 442 CB ILE A 26 -2.101 4.689 8.262 1.00 0.00 C ATOM 443 CG1 ILE A 26 -0.870 4.009 7.650 1.00 0.00 C ATOM 444 CG2 ILE A 26 -3.152 4.899 7.167 1.00 0.00 C ATOM 445 CD1 ILE A 26 0.177 3.760 8.739 1.00 0.00 C ATOM 0 H ILE A 26 -0.746 4.870 10.339 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.970 6.526 8.214 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.520 4.062 9.049 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.157 3.066 7.186 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.449 4.636 6.864 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.434 3.935 6.744 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.032 5.379 7.595 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.738 5.532 6.382 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.050 3.277 8.301 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.473 4.710 9.183 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.246 3.115 9.510 1.00 0.00 H new ATOM 457 N LYS A 27 -3.401 7.139 10.211 1.00 0.00 N ATOM 458 CA LYS A 27 -4.567 7.993 10.472 1.00 0.00 C ATOM 459 C LYS A 27 -5.031 8.738 9.222 1.00 0.00 C ATOM 460 O LYS A 27 -6.146 8.527 8.745 1.00 0.00 O ATOM 461 CB LYS A 27 -4.225 9.007 11.567 1.00 0.00 C ATOM 462 CG LYS A 27 -5.514 9.611 12.128 1.00 0.00 C ATOM 463 CD LYS A 27 -5.178 10.537 13.299 1.00 0.00 C ATOM 464 CE LYS A 27 -6.449 10.834 14.097 1.00 0.00 C ATOM 465 NZ LYS A 27 -6.102 11.648 15.297 1.00 0.00 N ATOM 0 H LYS A 27 -3.005 6.708 11.046 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.382 7.344 10.793 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.662 8.521 12.364 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.589 9.794 11.162 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.036 10.167 11.349 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.185 8.819 12.459 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.433 10.070 13.943 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.743 11.465 12.929 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.165 11.371 13.475 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.926 9.903 14.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.965 11.851 15.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.433 11.120 15.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.665 12.542 14.995 1.00 0.00 H new ATOM 479 N ASP A 28 -4.179 9.614 8.695 1.00 0.00 N ATOM 480 CA ASP A 28 -4.539 10.378 7.502 1.00 0.00 C ATOM 481 C ASP A 28 -3.297 10.826 6.737 1.00 0.00 C ATOM 482 O ASP A 28 -3.335 10.972 5.515 1.00 0.00 O ATOM 483 CB ASP A 28 -5.360 11.606 7.901 1.00 0.00 C ATOM 484 CG ASP A 28 -6.045 12.197 6.674 1.00 0.00 C ATOM 485 OD1 ASP A 28 -5.949 11.594 5.618 1.00 0.00 O ATOM 486 OD2 ASP A 28 -6.657 13.244 6.809 1.00 0.00 O ATOM 0 H ASP A 28 -3.250 9.811 9.067 1.00 0.00 H new ATOM 0 HA ASP A 28 -5.129 9.731 6.853 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -6.106 11.328 8.646 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.713 12.353 8.361 1.00 0.00 H new ATOM 491 N ILE A 29 -2.201 11.044 7.456 1.00 0.00 N ATOM 492 CA ILE A 29 -0.962 11.479 6.823 1.00 0.00 C ATOM 493 C ILE A 29 -1.218 12.719 5.970 1.00 0.00 C ATOM 494 O ILE A 29 -2.367 13.067 5.697 1.00 0.00 O ATOM 495 CB ILE A 29 -0.415 10.349 5.951 1.00 0.00 C ATOM 496 CG1 ILE A 29 0.044 9.179 6.833 1.00 0.00 C ATOM 497 CG2 ILE A 29 0.761 10.853 5.110 1.00 0.00 C ATOM 498 CD1 ILE A 29 1.128 9.639 7.812 1.00 0.00 C ATOM 0 H ILE A 29 -2.145 10.928 8.468 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.231 11.729 7.592 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.207 10.007 5.285 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.806 8.777 7.385 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.429 8.373 6.208 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.142 10.039 4.493 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.427 11.669 4.469 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.553 11.210 5.769 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.442 8.797 8.429 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.984 10.019 7.255 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.731 10.429 8.450 1.00 0.00 H new ATOM 510 N ASN A 30 -0.147 13.392 5.557 1.00 0.00 N ATOM 511 CA ASN A 30 -0.286 14.595 4.743 1.00 0.00 C ATOM 512 C ASN A 30 0.872 14.732 3.757 1.00 0.00 C ATOM 513 O ASN A 30 1.045 15.783 3.139 1.00 0.00 O ATOM 514 CB ASN A 30 -0.336 15.830 5.646 1.00 0.00 C ATOM 515 CG ASN A 30 -1.711 15.950 6.296 1.00 0.00 C ATOM 516 OD1 ASN A 30 -2.689 15.401 5.788 1.00 0.00 O ATOM 517 ND2 ASN A 30 -1.845 16.641 7.395 1.00 0.00 N ATOM 0 H ASN A 30 0.815 13.129 5.770 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.213 14.514 4.176 1.00 0.00 H new ATOM 0 HB2 ASN A 30 0.433 15.759 6.415 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.122 16.725 5.063 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -2.761 16.727 7.835 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.033 17.095 7.814 1.00 0.00 H new ATOM 524 N ARG A 31 1.661 13.670 3.607 1.00 0.00 N ATOM 525 CA ARG A 31 2.793 13.704 2.682 1.00 0.00 C ATOM 526 C ARG A 31 2.880 12.411 1.873 1.00 0.00 C ATOM 527 O ARG A 31 3.458 11.418 2.317 1.00 0.00 O ATOM 528 CB ARG A 31 4.100 13.932 3.450 1.00 0.00 C ATOM 529 CG ARG A 31 5.106 14.679 2.560 1.00 0.00 C ATOM 530 CD ARG A 31 4.839 16.189 2.602 1.00 0.00 C ATOM 531 NE ARG A 31 3.798 16.549 1.647 1.00 0.00 N ATOM 532 CZ ARG A 31 3.357 17.800 1.551 1.00 0.00 C ATOM 533 NH1 ARG A 31 3.857 18.729 2.318 1.00 0.00 N ATOM 534 NH2 ARG A 31 2.425 18.099 0.689 1.00 0.00 N ATOM 0 H ARG A 31 1.541 12.788 4.105 1.00 0.00 H new ATOM 0 HA ARG A 31 2.638 14.531 1.989 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.905 14.507 4.355 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.519 12.976 3.764 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.122 14.473 2.897 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.031 14.318 1.534 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.537 16.483 3.607 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.755 16.733 2.373 1.00 0.00 H new ATOM 0 HE ARG A 31 3.401 15.830 1.042 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.587 18.496 2.992 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.518 19.688 2.244 1.00 0.00 H new ATOM 0 HH21 ARG A 31 2.034 17.373 0.088 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.087 19.059 0.616 1.00 0.00 H new ATOM 548 N PHE A 32 2.305 12.452 0.676 1.00 0.00 N ATOM 549 CA PHE A 32 2.308 11.307 -0.229 1.00 0.00 C ATOM 550 C PHE A 32 2.387 11.808 -1.670 1.00 0.00 C ATOM 551 O PHE A 32 1.913 12.902 -1.978 1.00 0.00 O ATOM 552 CB PHE A 32 1.036 10.465 -0.034 1.00 0.00 C ATOM 553 CG PHE A 32 -0.026 11.289 0.662 1.00 0.00 C ATOM 554 CD1 PHE A 32 -0.502 12.465 0.069 1.00 0.00 C ATOM 555 CD2 PHE A 32 -0.536 10.874 1.900 1.00 0.00 C ATOM 556 CE1 PHE A 32 -1.486 13.226 0.713 1.00 0.00 C ATOM 557 CE2 PHE A 32 -1.520 11.636 2.543 1.00 0.00 C ATOM 558 CZ PHE A 32 -1.994 12.812 1.950 1.00 0.00 C ATOM 0 H PHE A 32 1.827 13.274 0.307 1.00 0.00 H new ATOM 0 HA PHE A 32 3.172 10.679 -0.011 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.666 10.120 -1.000 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.264 9.577 0.556 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.110 12.785 -0.885 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.170 9.967 2.358 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.853 14.133 0.255 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.913 11.316 3.497 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.752 13.400 2.447 1.00 0.00 H new ATOM 568 N VAL A 33 3.003 11.020 -2.549 1.00 0.00 N ATOM 569 CA VAL A 33 3.140 11.431 -3.944 1.00 0.00 C ATOM 570 C VAL A 33 3.144 10.232 -4.888 1.00 0.00 C ATOM 571 O VAL A 33 3.833 9.236 -4.653 1.00 0.00 O ATOM 572 CB VAL A 33 4.438 12.222 -4.125 1.00 0.00 C ATOM 573 CG1 VAL A 33 4.292 13.604 -3.485 1.00 0.00 C ATOM 574 CG2 VAL A 33 5.589 11.471 -3.454 1.00 0.00 C ATOM 0 H VAL A 33 3.408 10.111 -2.326 1.00 0.00 H new ATOM 0 HA VAL A 33 2.281 12.055 -4.191 1.00 0.00 H new ATOM 0 HB VAL A 33 4.646 12.336 -5.189 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.217 14.165 -3.615 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.472 14.141 -3.962 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.082 13.492 -2.421 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.514 12.033 -3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.378 11.357 -2.391 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.696 10.487 -3.910 1.00 0.00 H new ATOM 584 N PHE A 34 2.371 10.351 -5.968 1.00 0.00 N ATOM 585 CA PHE A 34 2.276 9.297 -6.974 1.00 0.00 C ATOM 586 C PHE A 34 2.351 9.908 -8.372 1.00 0.00 C ATOM 587 O PHE A 34 1.520 9.619 -9.232 1.00 0.00 O ATOM 588 CB PHE A 34 0.953 8.536 -6.817 1.00 0.00 C ATOM 589 CG PHE A 34 -0.187 9.382 -7.325 1.00 0.00 C ATOM 590 CD1 PHE A 34 -0.528 10.563 -6.660 1.00 0.00 C ATOM 591 CD2 PHE A 34 -0.903 8.984 -8.460 1.00 0.00 C ATOM 592 CE1 PHE A 34 -1.586 11.351 -7.129 1.00 0.00 C ATOM 593 CE2 PHE A 34 -1.961 9.770 -8.931 1.00 0.00 C ATOM 594 CZ PHE A 34 -2.303 10.954 -8.265 1.00 0.00 C ATOM 0 H PHE A 34 1.799 11.172 -6.167 1.00 0.00 H new ATOM 0 HA PHE A 34 3.105 8.603 -6.837 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.995 7.597 -7.369 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.791 8.283 -5.769 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.025 10.868 -5.784 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.639 8.071 -8.972 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.849 12.264 -6.615 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.513 9.464 -9.807 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.120 11.561 -8.627 1.00 0.00 H new ATOM 604 N LYS A 35 3.352 10.758 -8.589 1.00 0.00 N ATOM 605 CA LYS A 35 3.527 11.412 -9.885 1.00 0.00 C ATOM 606 C LYS A 35 4.945 11.202 -10.405 1.00 0.00 C ATOM 607 O LYS A 35 5.572 12.127 -10.919 1.00 0.00 O ATOM 608 CB LYS A 35 3.247 12.910 -9.753 1.00 0.00 C ATOM 609 CG LYS A 35 4.163 13.511 -8.681 1.00 0.00 C ATOM 610 CD LYS A 35 3.637 14.886 -8.257 1.00 0.00 C ATOM 611 CE LYS A 35 3.937 15.914 -9.351 1.00 0.00 C ATOM 612 NZ LYS A 35 5.400 15.931 -9.630 1.00 0.00 N ATOM 0 H LYS A 35 4.051 11.009 -7.890 1.00 0.00 H new ATOM 0 HA LYS A 35 2.825 10.971 -10.592 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.414 13.407 -10.709 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.203 13.073 -9.487 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.210 12.848 -7.817 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.178 13.604 -9.068 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.563 14.835 -8.077 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.103 15.191 -7.320 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.386 15.666 -10.258 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.605 16.903 -9.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.718 16.913 -9.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.911 15.503 -8.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.595 15.388 -10.496 1.00 0.00 H new ATOM 626 N ASN A 36 5.439 9.977 -10.268 1.00 0.00 N ATOM 627 CA ASN A 36 6.783 9.648 -10.728 1.00 0.00 C ATOM 628 C ASN A 36 6.899 8.149 -10.977 1.00 0.00 C ATOM 629 O ASN A 36 7.916 7.534 -10.656 1.00 0.00 O ATOM 630 CB ASN A 36 7.815 10.076 -9.683 1.00 0.00 C ATOM 631 CG ASN A 36 7.979 11.592 -9.703 1.00 0.00 C ATOM 632 OD1 ASN A 36 7.935 12.207 -10.768 1.00 0.00 O ATOM 633 ND2 ASN A 36 8.168 12.234 -8.583 1.00 0.00 N ATOM 0 H ASN A 36 4.933 9.199 -9.845 1.00 0.00 H new ATOM 0 HA ASN A 36 6.974 10.181 -11.659 1.00 0.00 H new ATOM 0 HB2 ASN A 36 7.499 9.749 -8.692 1.00 0.00 H new ATOM 0 HB3 ASN A 36 8.772 9.596 -9.887 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.280 13.248 -8.589 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.204 11.722 -7.702 1.00 0.00 H new ATOM 640 N ASN A 37 5.849 7.568 -11.547 1.00 0.00 N ATOM 641 CA ASN A 37 5.840 6.139 -11.832 1.00 0.00 C ATOM 642 C ASN A 37 6.101 5.342 -10.557 1.00 0.00 C ATOM 643 O ASN A 37 6.286 4.126 -10.601 1.00 0.00 O ATOM 644 CB ASN A 37 6.906 5.806 -12.882 1.00 0.00 C ATOM 645 CG ASN A 37 6.381 6.120 -14.280 1.00 0.00 C ATOM 646 OD1 ASN A 37 5.998 5.213 -15.018 1.00 0.00 O ATOM 647 ND2 ASN A 37 6.339 7.359 -14.688 1.00 0.00 N ATOM 0 H ASN A 37 4.999 8.061 -11.819 1.00 0.00 H new ATOM 0 HA ASN A 37 4.859 5.868 -12.221 1.00 0.00 H new ATOM 0 HB2 ASN A 37 7.811 6.381 -12.687 1.00 0.00 H new ATOM 0 HB3 ASN A 37 7.177 4.752 -12.815 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.988 7.577 -15.621 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.657 8.109 -14.074 1.00 0.00 H new ATOM 654 N VAL A 38 6.111 6.037 -9.422 1.00 0.00 N ATOM 655 CA VAL A 38 6.349 5.387 -8.136 1.00 0.00 C ATOM 656 C VAL A 38 5.544 6.073 -7.037 1.00 0.00 C ATOM 657 O VAL A 38 5.179 7.243 -7.163 1.00 0.00 O ATOM 658 CB VAL A 38 7.838 5.438 -7.791 1.00 0.00 C ATOM 659 CG1 VAL A 38 8.093 4.645 -6.508 1.00 0.00 C ATOM 660 CG2 VAL A 38 8.646 4.823 -8.936 1.00 0.00 C ATOM 0 H VAL A 38 5.958 7.044 -9.366 1.00 0.00 H new ATOM 0 HA VAL A 38 6.032 4.347 -8.210 1.00 0.00 H new ATOM 0 HB VAL A 38 8.141 6.475 -7.644 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.154 4.682 -6.263 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.516 5.079 -5.691 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.790 3.608 -6.655 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.708 4.858 -8.692 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.341 3.787 -9.081 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.465 5.385 -9.852 1.00 0.00 H new ATOM 670 N LEU A 39 5.265 5.338 -5.963 1.00 0.00 N ATOM 671 CA LEU A 39 4.495 5.884 -4.846 1.00 0.00 C ATOM 672 C LEU A 39 5.311 5.850 -3.559 1.00 0.00 C ATOM 673 O LEU A 39 5.648 4.779 -3.050 1.00 0.00 O ATOM 674 CB LEU A 39 3.204 5.074 -4.651 1.00 0.00 C ATOM 675 CG LEU A 39 2.131 5.539 -5.644 1.00 0.00 C ATOM 676 CD1 LEU A 39 2.301 4.807 -6.977 1.00 0.00 C ATOM 677 CD2 LEU A 39 0.741 5.234 -5.077 1.00 0.00 C ATOM 0 H LEU A 39 5.558 4.369 -5.842 1.00 0.00 H new ATOM 0 HA LEU A 39 4.246 6.919 -5.079 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.407 4.013 -4.794 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.841 5.194 -3.630 1.00 0.00 H new ATOM 0 HG LEU A 39 2.237 6.612 -5.804 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.535 5.143 -7.677 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.287 5.023 -7.387 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.201 3.733 -6.818 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.021 5.565 -5.783 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.642 4.161 -4.913 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.611 5.759 -4.131 1.00 0.00 H new ATOM 689 N LEU A 40 5.617 7.035 -3.031 1.00 0.00 N ATOM 690 CA LEU A 40 6.387 7.141 -1.794 1.00 0.00 C ATOM 691 C LEU A 40 5.559 7.867 -0.737 1.00 0.00 C ATOM 692 O LEU A 40 4.752 8.739 -1.061 1.00 0.00 O ATOM 693 CB LEU A 40 7.698 7.894 -2.062 1.00 0.00 C ATOM 694 CG LEU A 40 8.731 7.599 -0.957 1.00 0.00 C ATOM 695 CD1 LEU A 40 10.142 7.725 -1.538 1.00 0.00 C ATOM 696 CD2 LEU A 40 8.572 8.592 0.210 1.00 0.00 C ATOM 0 H LEU A 40 5.345 7.930 -3.438 1.00 0.00 H new ATOM 0 HA LEU A 40 6.628 6.143 -1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.101 7.600 -3.031 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.505 8.966 -2.109 1.00 0.00 H new ATOM 0 HG LEU A 40 8.568 6.588 -0.584 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.876 7.517 -0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.265 7.011 -2.353 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.291 8.736 -1.916 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.310 8.369 0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.724 9.608 -0.154 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.570 8.503 0.630 1.00 0.00 H new ATOM 708 N ILE A 41 5.751 7.495 0.525 1.00 0.00 N ATOM 709 CA ILE A 41 5.000 8.113 1.616 1.00 0.00 C ATOM 710 C ILE A 41 5.869 8.262 2.864 1.00 0.00 C ATOM 711 O ILE A 41 6.627 7.359 3.216 1.00 0.00 O ATOM 712 CB ILE A 41 3.782 7.248 1.946 1.00 0.00 C ATOM 713 CG1 ILE A 41 2.998 6.966 0.659 1.00 0.00 C ATOM 714 CG2 ILE A 41 2.884 7.977 2.947 1.00 0.00 C ATOM 715 CD1 ILE A 41 1.685 6.256 1.000 1.00 0.00 C ATOM 0 H ILE A 41 6.413 6.776 0.817 1.00 0.00 H new ATOM 0 HA ILE A 41 4.681 9.105 1.297 1.00 0.00 H new ATOM 0 HB ILE A 41 4.113 6.307 2.385 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.792 7.899 0.135 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.593 6.348 -0.013 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.018 7.356 3.178 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.444 8.174 3.861 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.549 8.920 2.516 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.130 6.057 0.083 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.901 5.314 1.505 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.088 6.890 1.655 1.00 0.00 H new ATOM 727 N LEU A 42 5.755 9.409 3.530 1.00 0.00 N ATOM 728 CA LEU A 42 6.536 9.661 4.737 1.00 0.00 C ATOM 729 C LEU A 42 6.161 8.670 5.835 1.00 0.00 C ATOM 730 O LEU A 42 4.983 8.395 6.064 1.00 0.00 O ATOM 731 CB LEU A 42 6.289 11.090 5.243 1.00 0.00 C ATOM 732 CG LEU A 42 7.113 12.106 4.435 1.00 0.00 C ATOM 733 CD1 LEU A 42 8.573 12.099 4.908 1.00 0.00 C ATOM 734 CD2 LEU A 42 7.049 11.769 2.940 1.00 0.00 C ATOM 0 H LEU A 42 5.135 10.172 3.257 1.00 0.00 H new ATOM 0 HA LEU A 42 7.590 9.540 4.488 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.229 11.330 5.164 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.554 11.158 6.298 1.00 0.00 H new ATOM 0 HG LEU A 42 6.694 13.100 4.593 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.147 12.822 4.329 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.615 12.365 5.964 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.996 11.104 4.768 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.636 12.495 2.378 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.453 10.770 2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.013 11.802 2.604 1.00 0.00 H new ATOM 746 N LEU A 43 7.174 8.139 6.510 1.00 0.00 N ATOM 747 CA LEU A 43 6.946 7.178 7.585 1.00 0.00 C ATOM 748 C LEU A 43 8.159 7.114 8.514 1.00 0.00 C ATOM 749 O LEU A 43 9.142 6.435 8.220 1.00 0.00 O ATOM 750 CB LEU A 43 6.678 5.798 6.982 1.00 0.00 C ATOM 751 CG LEU A 43 6.156 4.842 8.061 1.00 0.00 C ATOM 752 CD1 LEU A 43 4.637 4.992 8.197 1.00 0.00 C ATOM 753 CD2 LEU A 43 6.483 3.399 7.665 1.00 0.00 C ATOM 0 H LEU A 43 8.155 8.355 6.334 1.00 0.00 H new ATOM 0 HA LEU A 43 6.082 7.497 8.169 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.949 5.881 6.175 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.594 5.400 6.545 1.00 0.00 H new ATOM 0 HG LEU A 43 6.632 5.082 9.012 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.271 4.310 8.965 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.396 6.017 8.477 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.161 4.755 7.245 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.112 2.718 8.432 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.007 3.166 6.712 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.563 3.284 7.569 1.00 0.00 H new ATOM 765 N GLU A 44 8.083 7.834 9.634 1.00 0.00 N ATOM 766 CA GLU A 44 9.183 7.863 10.598 1.00 0.00 C ATOM 767 C GLU A 44 9.028 6.772 11.657 1.00 0.00 C ATOM 768 O GLU A 44 10.006 6.135 12.050 1.00 0.00 O ATOM 769 CB GLU A 44 9.237 9.229 11.282 1.00 0.00 C ATOM 770 CG GLU A 44 7.932 9.471 12.043 1.00 0.00 C ATOM 771 CD GLU A 44 7.832 10.936 12.453 1.00 0.00 C ATOM 772 OE1 GLU A 44 6.835 11.295 13.057 1.00 0.00 O ATOM 773 OE2 GLU A 44 8.753 11.679 12.157 1.00 0.00 O ATOM 0 H GLU A 44 7.277 8.401 9.895 1.00 0.00 H new ATOM 0 HA GLU A 44 10.109 7.682 10.053 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.083 9.271 11.968 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.389 10.013 10.540 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.081 9.201 11.418 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.893 8.834 12.927 1.00 0.00 H new ATOM 780 N ASN A 45 7.800 6.569 12.126 1.00 0.00 N ATOM 781 CA ASN A 45 7.533 5.558 13.150 1.00 0.00 C ATOM 782 C ASN A 45 8.293 4.265 12.854 1.00 0.00 C ATOM 783 O ASN A 45 7.767 3.362 12.206 1.00 0.00 O ATOM 784 CB ASN A 45 6.031 5.273 13.220 1.00 0.00 C ATOM 785 CG ASN A 45 5.322 6.399 13.964 1.00 0.00 C ATOM 786 OD1 ASN A 45 4.517 7.122 13.376 1.00 0.00 O ATOM 787 ND2 ASN A 45 5.575 6.595 15.229 1.00 0.00 N ATOM 0 H ASN A 45 6.977 7.087 11.817 1.00 0.00 H new ATOM 0 HA ASN A 45 7.875 5.945 14.110 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.623 5.177 12.214 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.856 4.324 13.727 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.106 7.348 15.732 1.00 0.00 H new ATOM 0 HD22 ASN A 45 6.242 5.995 15.715 1.00 0.00 H new ATOM 794 N GLU A 46 9.533 4.196 13.339 1.00 0.00 N ATOM 795 CA GLU A 46 10.388 3.024 13.134 1.00 0.00 C ATOM 796 C GLU A 46 9.580 1.729 13.076 1.00 0.00 C ATOM 797 O GLU A 46 9.818 0.884 12.213 1.00 0.00 O ATOM 798 CB GLU A 46 11.413 2.930 14.266 1.00 0.00 C ATOM 799 CG GLU A 46 12.231 1.647 14.111 1.00 0.00 C ATOM 800 CD GLU A 46 13.460 1.697 15.014 1.00 0.00 C ATOM 801 OE1 GLU A 46 13.814 0.663 15.556 1.00 0.00 O ATOM 802 OE2 GLU A 46 14.027 2.769 15.151 1.00 0.00 O ATOM 0 H GLU A 46 9.971 4.942 13.880 1.00 0.00 H new ATOM 0 HA GLU A 46 10.892 3.148 12.176 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.072 3.798 14.247 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.906 2.936 15.231 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.618 0.782 14.366 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.538 1.525 13.072 1.00 0.00 H new ATOM 809 N PHE A 47 8.629 1.569 13.989 1.00 0.00 N ATOM 810 CA PHE A 47 7.814 0.363 14.007 1.00 0.00 C ATOM 811 C PHE A 47 7.053 0.234 12.695 1.00 0.00 C ATOM 812 O PHE A 47 7.323 -0.654 11.885 1.00 0.00 O ATOM 813 CB PHE A 47 6.826 0.414 15.174 1.00 0.00 C ATOM 814 CG PHE A 47 7.528 0.935 16.405 1.00 0.00 C ATOM 815 CD1 PHE A 47 7.446 2.293 16.735 1.00 0.00 C ATOM 816 CD2 PHE A 47 8.262 0.061 17.215 1.00 0.00 C ATOM 817 CE1 PHE A 47 8.098 2.777 17.876 1.00 0.00 C ATOM 818 CE2 PHE A 47 8.913 0.544 18.356 1.00 0.00 C ATOM 819 CZ PHE A 47 8.831 1.902 18.687 1.00 0.00 C ATOM 0 H PHE A 47 8.406 2.249 14.716 1.00 0.00 H new ATOM 0 HA PHE A 47 8.466 -0.502 14.131 1.00 0.00 H new ATOM 0 HB2 PHE A 47 5.983 1.058 14.923 1.00 0.00 H new ATOM 0 HB3 PHE A 47 6.422 -0.580 15.366 1.00 0.00 H new ATOM 0 HD1 PHE A 47 6.880 2.967 16.110 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.326 -0.986 16.960 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.035 3.825 18.130 1.00 0.00 H new ATOM 0 HE2 PHE A 47 9.479 -0.131 18.981 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.333 2.275 19.568 1.00 0.00 H new ATOM 829 N ALA A 48 6.092 1.126 12.505 1.00 0.00 N ATOM 830 CA ALA A 48 5.274 1.123 11.298 1.00 0.00 C ATOM 831 C ALA A 48 6.101 0.757 10.065 1.00 0.00 C ATOM 832 O ALA A 48 5.598 0.109 9.151 1.00 0.00 O ATOM 833 CB ALA A 48 4.646 2.502 11.099 1.00 0.00 C ATOM 0 H ALA A 48 5.858 1.862 13.171 1.00 0.00 H new ATOM 0 HA ALA A 48 4.494 0.372 11.421 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.035 2.497 10.196 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.021 2.745 11.958 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.433 3.249 11.000 1.00 0.00 H new ATOM 839 N ARG A 49 7.368 1.169 10.043 1.00 0.00 N ATOM 840 CA ARG A 49 8.235 0.863 8.904 1.00 0.00 C ATOM 841 C ARG A 49 8.763 -0.564 9.009 1.00 0.00 C ATOM 842 O ARG A 49 9.002 -1.227 8.000 1.00 0.00 O ATOM 843 CB ARG A 49 9.419 1.844 8.837 1.00 0.00 C ATOM 844 CG ARG A 49 9.170 3.036 9.757 1.00 0.00 C ATOM 845 CD ARG A 49 10.192 4.133 9.454 1.00 0.00 C ATOM 846 NE ARG A 49 11.528 3.699 9.849 1.00 0.00 N ATOM 847 CZ ARG A 49 12.470 4.579 10.174 1.00 0.00 C ATOM 848 NH1 ARG A 49 12.207 5.857 10.148 1.00 0.00 N ATOM 849 NH2 ARG A 49 13.658 4.164 10.521 1.00 0.00 N ATOM 0 H ARG A 49 7.812 1.707 10.787 1.00 0.00 H new ATOM 0 HA ARG A 49 7.643 0.964 7.995 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.338 1.336 9.129 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.557 2.189 7.812 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.159 3.416 9.613 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.249 2.728 10.800 1.00 0.00 H new ATOM 0 HD2 ARG A 49 10.178 4.369 8.390 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.926 5.046 9.987 1.00 0.00 H new ATOM 0 HE ARG A 49 11.743 2.702 9.876 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.278 6.181 9.878 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.930 6.532 10.397 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.863 3.165 10.543 1.00 0.00 H new ATOM 0 HH22 ARG A 49 14.381 4.839 10.770 1.00 0.00 H new ATOM 863 N ASN A 50 8.949 -1.021 10.239 1.00 0.00 N ATOM 864 CA ASN A 50 9.457 -2.363 10.483 1.00 0.00 C ATOM 865 C ASN A 50 8.595 -3.409 9.779 1.00 0.00 C ATOM 866 O ASN A 50 9.105 -4.341 9.160 1.00 0.00 O ATOM 867 CB ASN A 50 9.449 -2.643 11.986 1.00 0.00 C ATOM 868 CG ASN A 50 10.301 -3.869 12.293 1.00 0.00 C ATOM 869 OD1 ASN A 50 11.529 -3.809 12.214 1.00 0.00 O ATOM 870 ND2 ASN A 50 9.722 -4.986 12.641 1.00 0.00 N ATOM 0 H ASN A 50 8.756 -0.482 11.083 1.00 0.00 H new ATOM 0 HA ASN A 50 10.472 -2.423 10.091 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.833 -1.778 12.527 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.427 -2.805 12.329 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.286 -5.810 12.848 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.705 -5.035 12.706 1.00 0.00 H new ATOM 877 N SER A 51 7.280 -3.250 9.919 1.00 0.00 N ATOM 878 CA SER A 51 6.315 -4.185 9.338 1.00 0.00 C ATOM 879 C SER A 51 5.887 -3.787 7.923 1.00 0.00 C ATOM 880 O SER A 51 5.839 -4.627 7.021 1.00 0.00 O ATOM 881 CB SER A 51 5.078 -4.241 10.237 1.00 0.00 C ATOM 882 OG SER A 51 4.701 -5.599 10.431 1.00 0.00 O ATOM 0 H SER A 51 6.855 -2.478 10.433 1.00 0.00 H new ATOM 0 HA SER A 51 6.799 -5.159 9.270 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.290 -3.769 11.197 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.258 -3.685 9.782 1.00 0.00 H new ATOM 0 HG SER A 51 3.910 -5.640 11.008 1.00 0.00 H new ATOM 888 N LEU A 52 5.547 -2.517 7.736 1.00 0.00 N ATOM 889 CA LEU A 52 5.093 -2.051 6.430 1.00 0.00 C ATOM 890 C LEU A 52 6.037 -2.499 5.318 1.00 0.00 C ATOM 891 O LEU A 52 5.601 -3.090 4.330 1.00 0.00 O ATOM 892 CB LEU A 52 4.972 -0.522 6.420 1.00 0.00 C ATOM 893 CG LEU A 52 3.671 -0.100 7.120 1.00 0.00 C ATOM 894 CD1 LEU A 52 3.637 1.423 7.253 1.00 0.00 C ATOM 895 CD2 LEU A 52 2.454 -0.565 6.302 1.00 0.00 C ATOM 0 H LEU A 52 5.576 -1.800 8.461 1.00 0.00 H new ATOM 0 HA LEU A 52 4.114 -2.493 6.246 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.829 -0.077 6.925 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.980 -0.154 5.394 1.00 0.00 H new ATOM 0 HG LEU A 52 3.634 -0.560 8.108 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.715 1.724 7.749 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.492 1.756 7.842 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.681 1.876 6.262 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.538 -0.260 6.808 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.488 -0.114 5.310 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.472 -1.651 6.208 1.00 0.00 H new ATOM 907 N ASN A 53 7.325 -2.206 5.469 1.00 0.00 N ATOM 908 CA ASN A 53 8.293 -2.584 4.444 1.00 0.00 C ATOM 909 C ASN A 53 8.567 -4.084 4.483 1.00 0.00 C ATOM 910 O ASN A 53 9.181 -4.631 3.565 1.00 0.00 O ATOM 911 CB ASN A 53 9.595 -1.802 4.619 1.00 0.00 C ATOM 912 CG ASN A 53 10.603 -2.221 3.556 1.00 0.00 C ATOM 913 OD1 ASN A 53 10.243 -2.392 2.391 1.00 0.00 O ATOM 914 ND2 ASN A 53 11.853 -2.396 3.888 1.00 0.00 N ATOM 0 H ASN A 53 7.718 -1.718 6.274 1.00 0.00 H new ATOM 0 HA ASN A 53 7.868 -2.338 3.471 1.00 0.00 H new ATOM 0 HB2 ASN A 53 9.399 -0.732 4.544 1.00 0.00 H new ATOM 0 HB3 ASN A 53 10.006 -1.982 5.612 1.00 0.00 H new ATOM 0 HD21 ASN A 53 12.534 -2.675 3.182 1.00 0.00 H new ATOM 0 HD22 ASN A 53 12.149 -2.254 4.854 1.00 0.00 H new ATOM 921 N ASP A 54 8.094 -4.754 5.528 1.00 0.00 N ATOM 922 CA ASP A 54 8.288 -6.196 5.634 1.00 0.00 C ATOM 923 C ASP A 54 7.367 -6.901 4.645 1.00 0.00 C ATOM 924 O ASP A 54 7.691 -7.971 4.128 1.00 0.00 O ATOM 925 CB ASP A 54 7.982 -6.677 7.052 1.00 0.00 C ATOM 926 CG ASP A 54 8.508 -8.095 7.245 1.00 0.00 C ATOM 927 OD1 ASP A 54 9.701 -8.242 7.450 1.00 0.00 O ATOM 928 OD2 ASP A 54 7.708 -9.016 7.185 1.00 0.00 O ATOM 0 H ASP A 54 7.582 -4.331 6.302 1.00 0.00 H new ATOM 0 HA ASP A 54 9.328 -6.430 5.405 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.441 -6.008 7.779 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.907 -6.651 7.230 1.00 0.00 H new ATOM 933 N ASN A 55 6.220 -6.282 4.383 1.00 0.00 N ATOM 934 CA ASN A 55 5.246 -6.837 3.450 1.00 0.00 C ATOM 935 C ASN A 55 4.479 -5.712 2.758 1.00 0.00 C ATOM 936 O ASN A 55 3.262 -5.596 2.902 1.00 0.00 O ATOM 937 CB ASN A 55 4.264 -7.744 4.194 1.00 0.00 C ATOM 938 CG ASN A 55 3.481 -8.595 3.200 1.00 0.00 C ATOM 939 OD1 ASN A 55 2.546 -8.107 2.566 1.00 0.00 O ATOM 940 ND2 ASN A 55 3.809 -9.845 3.026 1.00 0.00 N ATOM 0 H ASN A 55 5.942 -5.395 4.804 1.00 0.00 H new ATOM 0 HA ASN A 55 5.777 -7.422 2.699 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.805 -8.387 4.888 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.578 -7.140 4.788 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.290 -10.421 2.363 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.584 -10.247 3.553 1.00 0.00 H new ATOM 947 N SER A 56 5.203 -4.879 2.014 1.00 0.00 N ATOM 948 CA SER A 56 4.586 -3.758 1.311 1.00 0.00 C ATOM 949 C SER A 56 4.090 -4.180 -0.070 1.00 0.00 C ATOM 950 O SER A 56 4.301 -3.475 -1.057 1.00 0.00 O ATOM 951 CB SER A 56 5.595 -2.618 1.162 1.00 0.00 C ATOM 952 OG SER A 56 4.971 -1.521 0.509 1.00 0.00 O ATOM 0 H SER A 56 6.211 -4.958 1.883 1.00 0.00 H new ATOM 0 HA SER A 56 3.732 -3.421 1.898 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.962 -2.312 2.141 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.459 -2.954 0.588 1.00 0.00 H new ATOM 0 HG SER A 56 4.658 -1.802 -0.376 1.00 0.00 H new ATOM 958 N GLU A 57 3.425 -5.329 -0.132 1.00 0.00 N ATOM 959 CA GLU A 57 2.898 -5.826 -1.399 1.00 0.00 C ATOM 960 C GLU A 57 1.654 -5.043 -1.799 1.00 0.00 C ATOM 961 O GLU A 57 0.672 -5.615 -2.263 1.00 0.00 O ATOM 962 CB GLU A 57 2.551 -7.311 -1.275 1.00 0.00 C ATOM 963 CG GLU A 57 3.649 -8.028 -0.486 1.00 0.00 C ATOM 964 CD GLU A 57 3.387 -9.530 -0.478 1.00 0.00 C ATOM 965 OE1 GLU A 57 4.337 -10.276 -0.309 1.00 0.00 O ATOM 966 OE2 GLU A 57 2.239 -9.912 -0.640 1.00 0.00 O ATOM 0 H GLU A 57 3.239 -5.929 0.672 1.00 0.00 H new ATOM 0 HA GLU A 57 3.661 -5.696 -2.167 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.591 -7.430 -0.773 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.450 -7.756 -2.265 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.622 -7.822 -0.932 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.680 -7.650 0.536 1.00 0.00 H new ATOM 973 N ILE A 58 1.703 -3.729 -1.608 1.00 0.00 N ATOM 974 CA ILE A 58 0.572 -2.870 -1.943 1.00 0.00 C ATOM 975 C ILE A 58 0.308 -2.872 -3.449 1.00 0.00 C ATOM 976 O ILE A 58 -0.803 -2.583 -3.890 1.00 0.00 O ATOM 977 CB ILE A 58 0.854 -1.445 -1.462 1.00 0.00 C ATOM 978 CG1 ILE A 58 1.349 -1.481 -0.011 1.00 0.00 C ATOM 979 CG2 ILE A 58 -0.417 -0.600 -1.547 1.00 0.00 C ATOM 980 CD1 ILE A 58 0.374 -2.287 0.854 1.00 0.00 C ATOM 0 H ILE A 58 2.510 -3.237 -1.225 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.317 -3.256 -1.444 1.00 0.00 H new ATOM 0 HB ILE A 58 1.619 -1.001 -2.098 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.342 -1.928 0.032 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.439 -0.466 0.377 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.205 0.412 -1.202 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.763 -0.566 -2.580 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.191 -1.042 -0.919 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.733 -2.308 1.883 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.611 -1.821 0.822 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.306 -3.306 0.473 1.00 0.00 H new ATOM 992 N ILE A 59 1.324 -3.206 -4.238 1.00 0.00 N ATOM 993 CA ILE A 59 1.160 -3.245 -5.689 1.00 0.00 C ATOM 994 C ILE A 59 0.107 -4.287 -6.069 1.00 0.00 C ATOM 995 O ILE A 59 -0.222 -4.466 -7.242 1.00 0.00 O ATOM 996 CB ILE A 59 2.502 -3.563 -6.357 1.00 0.00 C ATOM 997 CG1 ILE A 59 2.279 -3.918 -7.832 1.00 0.00 C ATOM 998 CG2 ILE A 59 3.165 -4.739 -5.639 1.00 0.00 C ATOM 999 CD1 ILE A 59 3.584 -3.727 -8.610 1.00 0.00 C ATOM 0 H ILE A 59 2.257 -3.450 -3.905 1.00 0.00 H new ATOM 0 HA ILE A 59 0.821 -2.270 -6.038 1.00 0.00 H new ATOM 0 HB ILE A 59 3.150 -2.689 -6.295 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.939 -4.950 -7.921 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.497 -3.287 -8.254 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.119 -4.965 -6.115 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.333 -4.479 -4.594 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.516 -5.613 -5.696 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.423 -3.980 -9.658 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.905 -2.688 -8.533 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.354 -4.377 -8.194 1.00 0.00 H new ATOM 1011 N HIS A 60 -0.426 -4.954 -5.051 1.00 0.00 N ATOM 1012 CA HIS A 60 -1.460 -5.971 -5.233 1.00 0.00 C ATOM 1013 C HIS A 60 -2.833 -5.330 -5.432 1.00 0.00 C ATOM 1014 O HIS A 60 -3.656 -5.850 -6.187 1.00 0.00 O ATOM 1015 CB HIS A 60 -1.500 -6.883 -3.999 1.00 0.00 C ATOM 1016 CG HIS A 60 -0.530 -8.021 -4.178 1.00 0.00 C ATOM 1017 ND1 HIS A 60 0.372 -8.387 -3.192 1.00 0.00 N ATOM 1018 CD2 HIS A 60 -0.311 -8.885 -5.224 1.00 0.00 C ATOM 1019 CE1 HIS A 60 1.084 -9.429 -3.660 1.00 0.00 C ATOM 1020 NE2 HIS A 60 0.708 -9.773 -4.894 1.00 0.00 N ATOM 0 H HIS A 60 -0.156 -4.807 -4.079 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.218 -6.552 -6.123 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.246 -6.313 -3.105 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.508 -7.271 -3.854 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -0.849 -8.876 -6.161 1.00 0.00 H new ATOM 0 HE1 HIS A 60 1.865 -9.927 -3.104 1.00 0.00 H new ATOM 0 HE2 HIS A 60 1.086 -10.525 -5.470 1.00 0.00 H new ATOM 1029 N LEU A 61 -3.085 -4.211 -4.760 1.00 0.00 N ATOM 1030 CA LEU A 61 -4.376 -3.531 -4.888 1.00 0.00 C ATOM 1031 C LEU A 61 -4.193 -2.170 -5.548 1.00 0.00 C ATOM 1032 O LEU A 61 -4.966 -1.782 -6.422 1.00 0.00 O ATOM 1033 CB LEU A 61 -5.024 -3.357 -3.503 1.00 0.00 C ATOM 1034 CG LEU A 61 -4.386 -4.326 -2.498 1.00 0.00 C ATOM 1035 CD1 LEU A 61 -3.087 -3.720 -1.946 1.00 0.00 C ATOM 1036 CD2 LEU A 61 -5.365 -4.581 -1.346 1.00 0.00 C ATOM 0 H LEU A 61 -2.424 -3.758 -4.129 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.029 -4.141 -5.512 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.898 -2.330 -3.160 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.096 -3.542 -3.568 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.158 -5.267 -2.998 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.637 -4.411 -1.233 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.392 -3.541 -2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.309 -2.777 -1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.914 -5.269 -0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.594 -3.639 -0.848 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.284 -5.017 -1.739 1.00 0.00 H new ATOM 1048 N ALA A 62 -3.163 -1.455 -5.122 1.00 0.00 N ATOM 1049 CA ALA A 62 -2.875 -0.138 -5.672 1.00 0.00 C ATOM 1050 C ALA A 62 -3.091 -0.109 -7.183 1.00 0.00 C ATOM 1051 O ALA A 62 -3.468 0.920 -7.742 1.00 0.00 O ATOM 1052 CB ALA A 62 -1.424 0.239 -5.364 1.00 0.00 C ATOM 0 H ALA A 62 -2.513 -1.763 -4.399 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.557 0.578 -5.212 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.209 1.225 -5.776 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.274 0.256 -4.285 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.754 -0.495 -5.812 1.00 0.00 H new ATOM 1058 N GLU A 63 -2.826 -1.232 -7.845 1.00 0.00 N ATOM 1059 CA GLU A 63 -2.973 -1.296 -9.296 1.00 0.00 C ATOM 1060 C GLU A 63 -4.416 -1.032 -9.719 1.00 0.00 C ATOM 1061 O GLU A 63 -4.718 -0.967 -10.911 1.00 0.00 O ATOM 1062 CB GLU A 63 -2.516 -2.662 -9.815 1.00 0.00 C ATOM 1063 CG GLU A 63 -3.295 -3.778 -9.101 1.00 0.00 C ATOM 1064 CD GLU A 63 -4.358 -4.356 -10.031 1.00 0.00 C ATOM 1065 OE1 GLU A 63 -4.255 -5.526 -10.363 1.00 0.00 O ATOM 1066 OE2 GLU A 63 -5.260 -3.621 -10.397 1.00 0.00 O ATOM 0 H GLU A 63 -2.513 -2.099 -7.408 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.345 -0.519 -9.731 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.677 -2.725 -10.891 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.447 -2.787 -9.645 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.610 -4.565 -8.786 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.765 -3.384 -8.200 1.00 0.00 H new ATOM 1073 N SER A 64 -5.304 -0.868 -8.741 1.00 0.00 N ATOM 1074 CA SER A 64 -6.710 -0.598 -9.034 1.00 0.00 C ATOM 1075 C SER A 64 -7.016 0.881 -8.822 1.00 0.00 C ATOM 1076 O SER A 64 -7.282 1.307 -7.700 1.00 0.00 O ATOM 1077 CB SER A 64 -7.611 -1.444 -8.132 1.00 0.00 C ATOM 1078 OG SER A 64 -8.838 -0.758 -7.919 1.00 0.00 O ATOM 0 H SER A 64 -5.078 -0.917 -7.747 1.00 0.00 H new ATOM 0 HA SER A 64 -6.903 -0.858 -10.075 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.798 -2.414 -8.592 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.117 -1.633 -7.179 1.00 0.00 H new ATOM 0 HG SER A 64 -8.670 0.064 -7.412 1.00 0.00 H new ATOM 1084 N LEU A 65 -6.987 1.642 -9.921 1.00 0.00 N ATOM 1085 CA LEU A 65 -7.268 3.086 -9.910 1.00 0.00 C ATOM 1086 C LEU A 65 -6.559 3.744 -11.102 1.00 0.00 C ATOM 1087 O LEU A 65 -7.046 4.722 -11.669 1.00 0.00 O ATOM 1088 CB LEU A 65 -6.817 3.752 -8.590 1.00 0.00 C ATOM 1089 CG LEU A 65 -7.955 4.616 -8.013 1.00 0.00 C ATOM 1090 CD1 LEU A 65 -8.408 5.653 -9.053 1.00 0.00 C ATOM 1091 CD2 LEU A 65 -9.148 3.725 -7.616 1.00 0.00 C ATOM 0 H LEU A 65 -6.768 1.275 -10.847 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.346 3.225 -9.990 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.530 2.987 -7.868 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.937 4.369 -8.768 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.586 5.134 -7.128 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.213 6.259 -8.636 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.568 6.296 -9.315 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.765 5.140 -9.946 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.946 4.346 -7.209 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.513 3.193 -8.495 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.829 3.005 -6.863 1.00 0.00 H new ATOM 1103 N TYR A 66 -5.427 3.163 -11.493 1.00 0.00 N ATOM 1104 CA TYR A 66 -4.660 3.645 -12.644 1.00 0.00 C ATOM 1105 C TYR A 66 -3.505 2.694 -12.936 1.00 0.00 C ATOM 1106 O TYR A 66 -2.359 2.961 -12.585 1.00 0.00 O ATOM 1107 CB TYR A 66 -4.131 5.081 -12.440 1.00 0.00 C ATOM 1108 CG TYR A 66 -3.578 5.283 -11.045 1.00 0.00 C ATOM 1109 CD1 TYR A 66 -2.229 5.017 -10.770 1.00 0.00 C ATOM 1110 CD2 TYR A 66 -4.413 5.756 -10.032 1.00 0.00 C ATOM 1111 CE1 TYR A 66 -1.723 5.223 -9.480 1.00 0.00 C ATOM 1112 CE2 TYR A 66 -3.910 5.960 -8.741 1.00 0.00 C ATOM 1113 CZ TYR A 66 -2.565 5.692 -8.465 1.00 0.00 C ATOM 1114 OH TYR A 66 -2.068 5.895 -7.194 1.00 0.00 O ATOM 0 H TYR A 66 -5.017 2.353 -11.028 1.00 0.00 H new ATOM 0 HA TYR A 66 -5.338 3.672 -13.497 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.352 5.289 -13.174 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.936 5.794 -12.619 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.580 4.653 -11.553 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -5.451 5.966 -10.244 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -0.684 5.020 -9.269 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -4.560 6.324 -7.959 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.616 6.764 -7.154 1.00 0.00 H new ATOM 1124 N GLU A 67 -3.823 1.573 -13.581 1.00 0.00 N ATOM 1125 CA GLU A 67 -2.815 0.571 -13.919 1.00 0.00 C ATOM 1126 C GLU A 67 -1.491 1.234 -14.289 1.00 0.00 C ATOM 1127 O GLU A 67 -1.451 2.149 -15.111 1.00 0.00 O ATOM 1128 CB GLU A 67 -3.305 -0.290 -15.087 1.00 0.00 C ATOM 1129 CG GLU A 67 -3.969 0.600 -16.143 1.00 0.00 C ATOM 1130 CD GLU A 67 -5.389 0.953 -15.715 1.00 0.00 C ATOM 1131 OE1 GLU A 67 -6.079 1.595 -16.489 1.00 0.00 O ATOM 1132 OE2 GLU A 67 -5.768 0.576 -14.617 1.00 0.00 O ATOM 0 H GLU A 67 -4.769 1.336 -13.879 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.654 -0.060 -13.045 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.468 -0.831 -15.528 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.014 -1.036 -14.729 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.386 1.510 -16.281 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.988 0.085 -17.104 1.00 0.00 H new ATOM 1139 N GLY A 68 -0.409 0.764 -13.676 1.00 0.00 N ATOM 1140 CA GLY A 68 0.914 1.317 -13.945 1.00 0.00 C ATOM 1141 C GLY A 68 1.777 1.302 -12.687 1.00 0.00 C ATOM 1142 O GLY A 68 2.977 1.565 -12.744 1.00 0.00 O ATOM 0 H GLY A 68 -0.421 0.006 -12.994 1.00 0.00 H new ATOM 0 HA2 GLY A 68 1.401 0.740 -14.731 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.818 2.339 -14.312 1.00 0.00 H new ATOM 1146 N ILE A 69 1.157 0.995 -11.551 1.00 0.00 N ATOM 1147 CA ILE A 69 1.881 0.953 -10.286 1.00 0.00 C ATOM 1148 C ILE A 69 3.139 0.099 -10.406 1.00 0.00 C ATOM 1149 O ILE A 69 3.063 -1.124 -10.536 1.00 0.00 O ATOM 1150 CB ILE A 69 0.984 0.378 -9.188 1.00 0.00 C ATOM 1151 CG1 ILE A 69 -0.225 1.303 -8.964 1.00 0.00 C ATOM 1152 CG2 ILE A 69 1.785 0.234 -7.891 1.00 0.00 C ATOM 1153 CD1 ILE A 69 0.166 2.520 -8.115 1.00 0.00 C ATOM 0 H ILE A 69 0.164 0.774 -11.481 1.00 0.00 H new ATOM 0 HA ILE A 69 2.171 1.972 -10.029 1.00 0.00 H new ATOM 0 HB ILE A 69 0.624 -0.604 -9.494 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.616 1.636 -9.925 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.024 0.751 -8.469 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.144 -0.176 -7.111 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.628 -0.436 -8.057 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.154 1.212 -7.581 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.706 3.158 -7.971 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.534 2.184 -7.146 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.948 3.083 -8.625 1.00 0.00 H new ATOM 1165 N LYS A 70 4.292 0.752 -10.350 1.00 0.00 N ATOM 1166 CA LYS A 70 5.565 0.047 -10.440 1.00 0.00 C ATOM 1167 C LYS A 70 5.933 -0.542 -9.083 1.00 0.00 C ATOM 1168 O LYS A 70 6.482 -1.641 -8.999 1.00 0.00 O ATOM 1169 CB LYS A 70 6.667 1.007 -10.896 1.00 0.00 C ATOM 1170 CG LYS A 70 6.365 1.512 -12.313 1.00 0.00 C ATOM 1171 CD LYS A 70 6.955 0.548 -13.348 1.00 0.00 C ATOM 1172 CE LYS A 70 6.324 0.815 -14.716 1.00 0.00 C ATOM 1173 NZ LYS A 70 6.479 2.257 -15.063 1.00 0.00 N ATOM 0 H LYS A 70 4.373 1.763 -10.243 1.00 0.00 H new ATOM 0 HA LYS A 70 5.467 -0.759 -11.168 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.736 1.849 -10.207 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.632 0.501 -10.879 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.288 1.598 -12.456 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.785 2.508 -12.450 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.036 0.675 -13.404 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.771 -0.483 -13.046 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.800 0.194 -15.475 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.268 0.545 -14.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.338 2.385 -16.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.774 2.817 -14.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.434 2.576 -14.803 1.00 0.00 H new ATOM 1187 N SER A 71 5.620 0.197 -8.021 1.00 0.00 N ATOM 1188 CA SER A 71 5.917 -0.256 -6.667 1.00 0.00 C ATOM 1189 C SER A 71 5.360 0.724 -5.636 1.00 0.00 C ATOM 1190 O SER A 71 4.809 1.767 -5.988 1.00 0.00 O ATOM 1191 CB SER A 71 7.429 -0.389 -6.480 1.00 0.00 C ATOM 1192 OG SER A 71 7.880 -1.574 -7.122 1.00 0.00 O ATOM 0 H SER A 71 5.163 1.107 -8.073 1.00 0.00 H new ATOM 0 HA SER A 71 5.445 -1.227 -6.520 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.936 0.480 -6.898 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.674 -0.421 -5.418 1.00 0.00 H new ATOM 0 HG SER A 71 7.149 -1.958 -7.650 1.00 0.00 H new ATOM 1198 N VAL A 72 5.521 0.380 -4.361 1.00 0.00 N ATOM 1199 CA VAL A 72 5.045 1.229 -3.269 1.00 0.00 C ATOM 1200 C VAL A 72 5.973 1.086 -2.064 1.00 0.00 C ATOM 1201 O VAL A 72 6.524 0.012 -1.825 1.00 0.00 O ATOM 1202 CB VAL A 72 3.620 0.826 -2.875 1.00 0.00 C ATOM 1203 CG1 VAL A 72 2.962 1.957 -2.079 1.00 0.00 C ATOM 1204 CG2 VAL A 72 2.797 0.549 -4.137 1.00 0.00 C ATOM 0 H VAL A 72 5.977 -0.480 -4.057 1.00 0.00 H new ATOM 0 HA VAL A 72 5.042 2.267 -3.601 1.00 0.00 H new ATOM 0 HB VAL A 72 3.660 -0.073 -2.260 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.949 1.665 -1.802 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.543 2.153 -1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.925 2.859 -2.690 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.784 0.262 -3.855 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.762 1.448 -4.753 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.259 -0.260 -4.702 1.00 0.00 H new ATOM 1214 N ASN A 73 6.150 2.172 -1.311 1.00 0.00 N ATOM 1215 CA ASN A 73 7.028 2.129 -0.145 1.00 0.00 C ATOM 1216 C ASN A 73 6.962 3.418 0.677 1.00 0.00 C ATOM 1217 O ASN A 73 6.541 4.473 0.195 1.00 0.00 O ATOM 1218 CB ASN A 73 8.473 1.889 -0.596 1.00 0.00 C ATOM 1219 CG ASN A 73 9.287 1.276 0.540 1.00 0.00 C ATOM 1220 OD1 ASN A 73 9.345 1.834 1.635 1.00 0.00 O ATOM 1221 ND2 ASN A 73 9.920 0.152 0.342 1.00 0.00 N ATOM 0 H ASN A 73 5.707 3.074 -1.483 1.00 0.00 H new ATOM 0 HA ASN A 73 6.687 1.311 0.490 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.486 1.226 -1.461 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.925 2.830 -0.909 1.00 0.00 H new ATOM 0 HD21 ASN A 73 10.465 -0.266 1.096 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.870 -0.308 -0.567 1.00 0.00 H new ATOM 1228 N PHE A 74 7.403 3.305 1.929 1.00 0.00 N ATOM 1229 CA PHE A 74 7.426 4.433 2.857 1.00 0.00 C ATOM 1230 C PHE A 74 8.807 4.520 3.509 1.00 0.00 C ATOM 1231 O PHE A 74 9.470 3.502 3.703 1.00 0.00 O ATOM 1232 CB PHE A 74 6.344 4.261 3.940 1.00 0.00 C ATOM 1233 CG PHE A 74 5.375 3.164 3.549 1.00 0.00 C ATOM 1234 CD1 PHE A 74 4.019 3.460 3.357 1.00 0.00 C ATOM 1235 CD2 PHE A 74 5.831 1.851 3.380 1.00 0.00 C ATOM 1236 CE1 PHE A 74 3.123 2.448 2.997 1.00 0.00 C ATOM 1237 CE2 PHE A 74 4.934 0.837 3.020 1.00 0.00 C ATOM 1238 CZ PHE A 74 3.580 1.136 2.828 1.00 0.00 C ATOM 0 H PHE A 74 7.753 2.433 2.327 1.00 0.00 H new ATOM 0 HA PHE A 74 7.221 5.352 2.308 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.811 4.019 4.895 1.00 0.00 H new ATOM 0 HB3 PHE A 74 5.806 5.199 4.077 1.00 0.00 H new ATOM 0 HD1 PHE A 74 3.665 4.472 3.487 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.876 1.620 3.527 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.078 2.679 2.849 1.00 0.00 H new ATOM 0 HE2 PHE A 74 5.287 -0.175 2.891 1.00 0.00 H new ATOM 0 HZ PHE A 74 2.888 0.355 2.550 1.00 0.00 H new ATOM 1248 N VAL A 75 9.242 5.734 3.835 1.00 0.00 N ATOM 1249 CA VAL A 75 10.556 5.917 4.450 1.00 0.00 C ATOM 1250 C VAL A 75 10.534 7.057 5.466 1.00 0.00 C ATOM 1251 O VAL A 75 9.497 7.354 6.055 1.00 0.00 O ATOM 1252 CB VAL A 75 11.591 6.208 3.364 1.00 0.00 C ATOM 1253 CG1 VAL A 75 11.571 5.084 2.328 1.00 0.00 C ATOM 1254 CG2 VAL A 75 11.252 7.535 2.679 1.00 0.00 C ATOM 0 H VAL A 75 8.714 6.594 3.687 1.00 0.00 H new ATOM 0 HA VAL A 75 10.822 5.000 4.976 1.00 0.00 H new ATOM 0 HB VAL A 75 12.582 6.272 3.814 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.309 5.291 1.553 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.810 4.138 2.813 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.580 5.021 1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 75 11.990 7.743 1.904 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.262 7.469 2.229 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.263 8.338 3.416 1.00 0.00 H new ATOM 1264 N ASN A 76 11.693 7.688 5.672 1.00 0.00 N ATOM 1265 CA ASN A 76 11.802 8.791 6.627 1.00 0.00 C ATOM 1266 C ASN A 76 12.058 10.114 5.909 1.00 0.00 C ATOM 1267 O ASN A 76 12.451 10.141 4.743 1.00 0.00 O ATOM 1268 CB ASN A 76 12.940 8.517 7.621 1.00 0.00 C ATOM 1269 CG ASN A 76 13.941 7.537 7.018 1.00 0.00 C ATOM 1270 OD1 ASN A 76 13.538 6.354 6.643 1.00 0.00 O flip ATOM 1271 ND2 ASN A 76 15.122 7.857 6.886 1.00 0.00 N flip ATOM 0 H ASN A 76 12.563 7.455 5.193 1.00 0.00 H new ATOM 0 HA ASN A 76 10.857 8.866 7.166 1.00 0.00 H new ATOM 0 HB2 ASN A 76 13.442 9.450 7.876 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.534 8.110 8.547 1.00 0.00 H new ATOM 0 HD21 ASN A 76 15.436 8.782 7.180 1.00 0.00 H new ATOM 0 HD22 ASN A 76 15.787 7.197 6.483 1.00 0.00 H new ATOM 1278 N GLU A 77 11.812 11.209 6.622 1.00 0.00 N ATOM 1279 CA GLU A 77 11.993 12.548 6.070 1.00 0.00 C ATOM 1280 C GLU A 77 13.193 12.614 5.135 1.00 0.00 C ATOM 1281 O GLU A 77 13.037 12.724 3.918 1.00 0.00 O ATOM 1282 CB GLU A 77 12.182 13.554 7.206 1.00 0.00 C ATOM 1283 CG GLU A 77 10.892 13.655 8.021 1.00 0.00 C ATOM 1284 CD GLU A 77 11.170 14.344 9.352 1.00 0.00 C ATOM 1285 OE1 GLU A 77 11.320 15.555 9.350 1.00 0.00 O ATOM 1286 OE2 GLU A 77 11.232 13.651 10.354 1.00 0.00 O ATOM 0 H GLU A 77 11.485 11.195 7.588 1.00 0.00 H new ATOM 0 HA GLU A 77 11.100 12.793 5.495 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.006 13.243 7.848 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.445 14.531 6.800 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.142 14.214 7.462 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.483 12.660 8.195 1.00 0.00 H new ATOM 1293 N GLN A 78 14.390 12.565 5.706 1.00 0.00 N ATOM 1294 CA GLN A 78 15.608 12.642 4.906 1.00 0.00 C ATOM 1295 C GLN A 78 15.536 11.686 3.724 1.00 0.00 C ATOM 1296 O GLN A 78 15.767 12.081 2.582 1.00 0.00 O ATOM 1297 CB GLN A 78 16.830 12.314 5.770 1.00 0.00 C ATOM 1298 CG GLN A 78 17.237 13.549 6.576 1.00 0.00 C ATOM 1299 CD GLN A 78 17.877 14.586 5.658 1.00 0.00 C ATOM 1300 OE1 GLN A 78 18.066 14.302 4.398 1.00 0.00 O flip ATOM 1301 NE2 GLN A 78 18.213 15.685 6.100 1.00 0.00 N flip ATOM 0 H GLN A 78 14.544 12.473 6.710 1.00 0.00 H new ATOM 0 HA GLN A 78 15.704 13.659 4.525 1.00 0.00 H new ATOM 0 HB2 GLN A 78 16.601 11.488 6.443 1.00 0.00 H new ATOM 0 HB3 GLN A 78 17.658 11.991 5.139 1.00 0.00 H new ATOM 0 HG2 GLN A 78 16.363 13.977 7.067 1.00 0.00 H new ATOM 0 HG3 GLN A 78 17.937 13.266 7.362 1.00 0.00 H new ATOM 0 HE21 GLN A 78 18.065 15.906 7.085 1.00 0.00 H new ATOM 0 HE22 GLN A 78 18.640 16.375 5.481 1.00 0.00 H new ATOM 1310 N ASP A 79 15.211 10.431 3.999 1.00 0.00 N ATOM 1311 CA ASP A 79 15.113 9.444 2.931 1.00 0.00 C ATOM 1312 C ASP A 79 14.211 9.973 1.819 1.00 0.00 C ATOM 1313 O ASP A 79 14.662 10.183 0.693 1.00 0.00 O ATOM 1314 CB ASP A 79 14.559 8.129 3.476 1.00 0.00 C ATOM 1315 CG ASP A 79 14.535 7.077 2.371 1.00 0.00 C ATOM 1316 OD1 ASP A 79 14.850 5.935 2.662 1.00 0.00 O ATOM 1317 OD2 ASP A 79 14.201 7.428 1.251 1.00 0.00 O ATOM 0 H ASP A 79 15.014 10.075 4.934 1.00 0.00 H new ATOM 0 HA ASP A 79 16.108 9.261 2.526 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.173 7.782 4.307 1.00 0.00 H new ATOM 0 HB3 ASP A 79 13.553 8.282 3.866 1.00 0.00 H new ATOM 1322 N PHE A 80 12.938 10.206 2.143 1.00 0.00 N ATOM 1323 CA PHE A 80 11.997 10.730 1.158 1.00 0.00 C ATOM 1324 C PHE A 80 12.666 11.832 0.345 1.00 0.00 C ATOM 1325 O PHE A 80 12.526 11.896 -0.876 1.00 0.00 O ATOM 1326 CB PHE A 80 10.759 11.288 1.872 1.00 0.00 C ATOM 1327 CG PHE A 80 9.993 12.210 0.946 1.00 0.00 C ATOM 1328 CD1 PHE A 80 9.633 13.493 1.378 1.00 0.00 C ATOM 1329 CD2 PHE A 80 9.639 11.781 -0.340 1.00 0.00 C ATOM 1330 CE1 PHE A 80 8.922 14.346 0.527 1.00 0.00 C ATOM 1331 CE2 PHE A 80 8.927 12.635 -1.192 1.00 0.00 C ATOM 1332 CZ PHE A 80 8.568 13.917 -0.758 1.00 0.00 C ATOM 0 H PHE A 80 12.541 10.042 3.068 1.00 0.00 H new ATOM 0 HA PHE A 80 11.691 9.926 0.488 1.00 0.00 H new ATOM 0 HB2 PHE A 80 10.116 10.469 2.195 1.00 0.00 H new ATOM 0 HB3 PHE A 80 11.060 11.829 2.769 1.00 0.00 H new ATOM 0 HD1 PHE A 80 9.905 13.824 2.369 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.915 10.792 -0.674 1.00 0.00 H new ATOM 0 HE1 PHE A 80 8.646 15.335 0.861 1.00 0.00 H new ATOM 0 HE2 PHE A 80 8.655 12.305 -2.184 1.00 0.00 H new ATOM 0 HZ PHE A 80 8.018 14.575 -1.414 1.00 0.00 H new ATOM 1342 N PHE A 81 13.404 12.693 1.037 1.00 0.00 N ATOM 1343 CA PHE A 81 14.107 13.783 0.378 1.00 0.00 C ATOM 1344 C PHE A 81 15.033 13.223 -0.697 1.00 0.00 C ATOM 1345 O PHE A 81 14.844 13.469 -1.888 1.00 0.00 O ATOM 1346 CB PHE A 81 14.921 14.574 1.408 1.00 0.00 C ATOM 1347 CG PHE A 81 15.037 16.017 0.975 1.00 0.00 C ATOM 1348 CD1 PHE A 81 16.247 16.502 0.465 1.00 0.00 C ATOM 1349 CD2 PHE A 81 13.932 16.870 1.085 1.00 0.00 C ATOM 1350 CE1 PHE A 81 16.353 17.839 0.066 1.00 0.00 C ATOM 1351 CE2 PHE A 81 14.038 18.207 0.684 1.00 0.00 C ATOM 1352 CZ PHE A 81 15.248 18.692 0.175 1.00 0.00 C ATOM 0 H PHE A 81 13.530 12.656 2.049 1.00 0.00 H new ATOM 0 HA PHE A 81 13.381 14.449 -0.088 1.00 0.00 H new ATOM 0 HB2 PHE A 81 14.442 14.516 2.385 1.00 0.00 H new ATOM 0 HB3 PHE A 81 15.914 14.136 1.514 1.00 0.00 H new ATOM 0 HD1 PHE A 81 17.099 15.844 0.379 1.00 0.00 H new ATOM 0 HD2 PHE A 81 12.998 16.497 1.479 1.00 0.00 H new ATOM 0 HE1 PHE A 81 17.287 18.213 -0.326 1.00 0.00 H new ATOM 0 HE2 PHE A 81 13.185 18.865 0.767 1.00 0.00 H new ATOM 0 HZ PHE A 81 15.329 19.724 -0.134 1.00 0.00 H new ATOM 1362 N PHE A 82 16.035 12.468 -0.259 1.00 0.00 N ATOM 1363 CA PHE A 82 17.000 11.866 -1.172 1.00 0.00 C ATOM 1364 C PHE A 82 16.328 11.391 -2.458 1.00 0.00 C ATOM 1365 O PHE A 82 16.947 11.384 -3.522 1.00 0.00 O ATOM 1366 CB PHE A 82 17.682 10.679 -0.493 1.00 0.00 C ATOM 1367 CG PHE A 82 18.801 10.173 -1.373 1.00 0.00 C ATOM 1368 CD1 PHE A 82 20.117 10.599 -1.148 1.00 0.00 C ATOM 1369 CD2 PHE A 82 18.523 9.280 -2.414 1.00 0.00 C ATOM 1370 CE1 PHE A 82 21.152 10.130 -1.966 1.00 0.00 C ATOM 1371 CE2 PHE A 82 19.558 8.812 -3.230 1.00 0.00 C ATOM 1372 CZ PHE A 82 20.872 9.236 -3.007 1.00 0.00 C ATOM 0 H PHE A 82 16.200 12.258 0.725 1.00 0.00 H new ATOM 0 HA PHE A 82 17.738 12.626 -1.429 1.00 0.00 H new ATOM 0 HB2 PHE A 82 18.075 10.978 0.478 1.00 0.00 H new ATOM 0 HB3 PHE A 82 16.958 9.884 -0.313 1.00 0.00 H new ATOM 0 HD1 PHE A 82 20.332 11.288 -0.345 1.00 0.00 H new ATOM 0 HD2 PHE A 82 17.509 8.952 -2.587 1.00 0.00 H new ATOM 0 HE1 PHE A 82 22.167 10.458 -1.794 1.00 0.00 H new ATOM 0 HE2 PHE A 82 19.342 8.123 -4.033 1.00 0.00 H new ATOM 0 HZ PHE A 82 21.671 8.874 -3.638 1.00 0.00 H new ATOM 1382 N ASN A 83 15.065 10.986 -2.358 1.00 0.00 N ATOM 1383 CA ASN A 83 14.338 10.505 -3.531 1.00 0.00 C ATOM 1384 C ASN A 83 13.856 11.669 -4.391 1.00 0.00 C ATOM 1385 O ASN A 83 14.113 11.709 -5.595 1.00 0.00 O ATOM 1386 CB ASN A 83 13.136 9.661 -3.096 1.00 0.00 C ATOM 1387 CG ASN A 83 12.347 9.209 -4.320 1.00 0.00 C ATOM 1388 OD1 ASN A 83 12.678 8.194 -4.933 1.00 0.00 O ATOM 1389 ND2 ASN A 83 11.318 9.908 -4.715 1.00 0.00 N ATOM 0 H ASN A 83 14.529 10.980 -1.490 1.00 0.00 H new ATOM 0 HA ASN A 83 15.020 9.893 -4.122 1.00 0.00 H new ATOM 0 HB2 ASN A 83 13.476 8.793 -2.531 1.00 0.00 H new ATOM 0 HB3 ASN A 83 12.494 10.241 -2.433 1.00 0.00 H new ATOM 0 HD21 ASN A 83 10.786 9.614 -5.534 1.00 0.00 H new ATOM 0 HD22 ASN A 83 11.046 10.748 -4.205 1.00 0.00 H new ATOM 1396 N LEU A 84 13.152 12.610 -3.772 1.00 0.00 N ATOM 1397 CA LEU A 84 12.636 13.764 -4.498 1.00 0.00 C ATOM 1398 C LEU A 84 13.746 14.776 -4.764 1.00 0.00 C ATOM 1399 O LEU A 84 13.630 15.616 -5.657 1.00 0.00 O ATOM 1400 CB LEU A 84 11.506 14.424 -3.693 1.00 0.00 C ATOM 1401 CG LEU A 84 12.096 15.368 -2.629 1.00 0.00 C ATOM 1402 CD1 LEU A 84 12.323 16.772 -3.219 1.00 0.00 C ATOM 1403 CD2 LEU A 84 11.130 15.461 -1.442 1.00 0.00 C ATOM 0 H LEU A 84 12.927 12.597 -2.777 1.00 0.00 H new ATOM 0 HA LEU A 84 12.245 13.423 -5.457 1.00 0.00 H new ATOM 0 HB2 LEU A 84 10.850 14.982 -4.362 1.00 0.00 H new ATOM 0 HB3 LEU A 84 10.896 13.659 -3.213 1.00 0.00 H new ATOM 0 HG LEU A 84 13.055 14.970 -2.297 1.00 0.00 H new ATOM 0 HD11 LEU A 84 12.740 17.426 -2.453 1.00 0.00 H new ATOM 0 HD12 LEU A 84 13.017 16.707 -4.057 1.00 0.00 H new ATOM 0 HD13 LEU A 84 11.373 17.179 -3.565 1.00 0.00 H new ATOM 0 HD21 LEU A 84 11.545 16.129 -0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 84 10.171 15.850 -1.783 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.987 14.470 -1.011 1.00 0.00 H new ATOM 1415 N ALA A 85 14.821 14.692 -3.989 1.00 0.00 N ATOM 1416 CA ALA A 85 15.935 15.614 -4.165 1.00 0.00 C ATOM 1417 C ALA A 85 16.677 15.304 -5.460 1.00 0.00 C ATOM 1418 O ALA A 85 17.374 16.156 -6.010 1.00 0.00 O ATOM 1419 CB ALA A 85 16.897 15.515 -2.979 1.00 0.00 C ATOM 0 H ALA A 85 14.944 14.006 -3.244 1.00 0.00 H new ATOM 0 HA ALA A 85 15.540 16.629 -4.217 1.00 0.00 H new ATOM 0 HB1 ALA A 85 17.725 16.209 -3.123 1.00 0.00 H new ATOM 0 HB2 ALA A 85 16.368 15.767 -2.060 1.00 0.00 H new ATOM 0 HB3 ALA A 85 17.284 14.498 -2.908 1.00 0.00 H new ATOM 1425 N LYS A 86 16.517 14.074 -5.941 1.00 0.00 N ATOM 1426 CA LYS A 86 17.171 13.650 -7.174 1.00 0.00 C ATOM 1427 C LYS A 86 16.904 14.648 -8.295 1.00 0.00 C ATOM 1428 O LYS A 86 17.816 15.334 -8.759 1.00 0.00 O ATOM 1429 CB LYS A 86 16.653 12.269 -7.587 1.00 0.00 C ATOM 1430 CG LYS A 86 17.543 11.687 -8.696 1.00 0.00 C ATOM 1431 CD LYS A 86 16.695 10.855 -9.667 1.00 0.00 C ATOM 1432 CE LYS A 86 16.103 9.649 -8.934 1.00 0.00 C ATOM 1433 NZ LYS A 86 17.197 8.711 -8.555 1.00 0.00 N ATOM 0 H LYS A 86 15.943 13.357 -5.498 1.00 0.00 H new ATOM 0 HA LYS A 86 18.245 13.601 -6.996 1.00 0.00 H new ATOM 0 HB2 LYS A 86 16.646 11.601 -6.726 1.00 0.00 H new ATOM 0 HB3 LYS A 86 15.624 12.347 -7.938 1.00 0.00 H new ATOM 0 HG2 LYS A 86 18.041 12.493 -9.234 1.00 0.00 H new ATOM 0 HG3 LYS A 86 18.324 11.066 -8.258 1.00 0.00 H new ATOM 0 HD2 LYS A 86 15.895 11.468 -10.083 1.00 0.00 H new ATOM 0 HD3 LYS A 86 17.308 10.519 -10.504 1.00 0.00 H new ATOM 0 HE2 LYS A 86 15.567 9.978 -8.044 1.00 0.00 H new ATOM 0 HE3 LYS A 86 15.379 9.142 -9.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 16.796 7.772 -8.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 17.879 8.639 -9.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 17.680 9.067 -7.706 1.00 0.00 H new ATOM 1447 N LEU A 87 15.649 14.723 -8.729 1.00 0.00 N ATOM 1448 CA LEU A 87 15.270 15.637 -9.799 1.00 0.00 C ATOM 1449 C LEU A 87 15.956 16.988 -9.624 1.00 0.00 C ATOM 1450 O LEU A 87 15.801 17.646 -8.596 1.00 0.00 O ATOM 1451 CB LEU A 87 13.752 15.826 -9.805 1.00 0.00 C ATOM 1452 CG LEU A 87 13.066 14.468 -10.008 1.00 0.00 C ATOM 1453 CD1 LEU A 87 11.681 14.490 -9.359 1.00 0.00 C ATOM 1454 CD2 LEU A 87 12.918 14.185 -11.506 1.00 0.00 C ATOM 0 H LEU A 87 14.881 14.164 -8.357 1.00 0.00 H new ATOM 0 HA LEU A 87 15.588 15.207 -10.749 1.00 0.00 H new ATOM 0 HB2 LEU A 87 13.427 16.272 -8.865 1.00 0.00 H new ATOM 0 HB3 LEU A 87 13.464 16.513 -10.601 1.00 0.00 H new ATOM 0 HG LEU A 87 13.672 13.688 -9.548 1.00 0.00 H new ATOM 0 HD11 LEU A 87 11.196 13.525 -9.504 1.00 0.00 H new ATOM 0 HD12 LEU A 87 11.782 14.688 -8.292 1.00 0.00 H new ATOM 0 HD13 LEU A 87 11.077 15.273 -9.818 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.431 13.220 -11.648 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.315 14.967 -11.966 1.00 0.00 H new ATOM 0 HD23 LEU A 87 13.903 14.166 -11.972 1.00 0.00 H new ATOM 1466 N GLU A 88 16.713 17.394 -10.637 1.00 0.00 N ATOM 1467 CA GLU A 88 17.420 18.669 -10.589 1.00 0.00 C ATOM 1468 C GLU A 88 17.802 19.120 -11.996 1.00 0.00 C ATOM 1469 O GLU A 88 18.950 19.480 -12.254 1.00 0.00 O ATOM 1470 CB GLU A 88 18.680 18.533 -9.724 1.00 0.00 C ATOM 1471 CG GLU A 88 19.007 19.877 -9.066 1.00 0.00 C ATOM 1472 CD GLU A 88 19.047 20.981 -10.117 1.00 0.00 C ATOM 1473 OE1 GLU A 88 18.080 21.720 -10.208 1.00 0.00 O ATOM 1474 OE2 GLU A 88 20.042 21.071 -10.815 1.00 0.00 O ATOM 0 H GLU A 88 16.853 16.863 -11.497 1.00 0.00 H new ATOM 0 HA GLU A 88 16.761 19.418 -10.150 1.00 0.00 H new ATOM 0 HB2 GLU A 88 18.527 17.771 -8.959 1.00 0.00 H new ATOM 0 HB3 GLU A 88 19.519 18.204 -10.337 1.00 0.00 H new ATOM 0 HG2 GLU A 88 18.258 20.112 -8.310 1.00 0.00 H new ATOM 0 HG3 GLU A 88 19.968 19.816 -8.555 1.00 0.00 H new ATOM 1481 N GLU A 89 16.829 19.094 -12.901 1.00 0.00 N ATOM 1482 CA GLU A 89 17.068 19.500 -14.283 1.00 0.00 C ATOM 1483 C GLU A 89 15.829 20.175 -14.864 1.00 0.00 C ATOM 1484 O GLU A 89 15.756 20.431 -16.066 1.00 0.00 O ATOM 1485 CB GLU A 89 17.432 18.279 -15.129 1.00 0.00 C ATOM 1486 CG GLU A 89 16.457 17.141 -14.825 1.00 0.00 C ATOM 1487 CD GLU A 89 16.763 15.941 -15.714 1.00 0.00 C ATOM 1488 OE1 GLU A 89 15.843 15.447 -16.345 1.00 0.00 O ATOM 1489 OE2 GLU A 89 17.912 15.533 -15.749 1.00 0.00 O ATOM 0 H GLU A 89 15.873 18.798 -12.705 1.00 0.00 H new ATOM 0 HA GLU A 89 17.895 20.210 -14.297 1.00 0.00 H new ATOM 0 HB2 GLU A 89 17.393 18.532 -16.188 1.00 0.00 H new ATOM 0 HB3 GLU A 89 18.453 17.965 -14.913 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.534 16.856 -13.776 1.00 0.00 H new ATOM 0 HG3 GLU A 89 15.433 17.475 -14.990 1.00 0.00 H new ATOM 1496 N ASN A 90 14.859 20.461 -14.002 1.00 0.00 N ATOM 1497 CA ASN A 90 13.628 21.107 -14.438 1.00 0.00 C ATOM 1498 C ASN A 90 13.842 22.609 -14.594 1.00 0.00 C ATOM 1499 O ASN A 90 13.218 23.410 -13.898 1.00 0.00 O ATOM 1500 CB ASN A 90 12.515 20.849 -13.420 1.00 0.00 C ATOM 1501 CG ASN A 90 12.128 19.374 -13.433 1.00 0.00 C ATOM 1502 OD1 ASN A 90 12.814 18.537 -14.162 1.00 0.00 O flip ATOM 1503 ND2 ASN A 90 11.177 18.975 -12.763 1.00 0.00 N flip ATOM 0 H ASN A 90 14.901 20.257 -13.004 1.00 0.00 H new ATOM 0 HA ASN A 90 13.339 20.690 -15.403 1.00 0.00 H new ATOM 0 HB2 ASN A 90 12.849 21.137 -12.423 1.00 0.00 H new ATOM 0 HB3 ASN A 90 11.646 21.464 -13.655 1.00 0.00 H new ATOM 0 HD21 ASN A 90 10.643 19.632 -12.194 1.00 0.00 H new ATOM 0 HD22 ASN A 90 10.923 17.987 -12.776 1.00 0.00 H new ATOM 1510 N SER A 91 14.731 22.982 -15.512 1.00 0.00 N ATOM 1511 CA SER A 91 15.028 24.390 -15.757 1.00 0.00 C ATOM 1512 C SER A 91 14.709 24.761 -17.201 1.00 0.00 C ATOM 1513 O SER A 91 15.046 24.025 -18.129 1.00 0.00 O ATOM 1514 CB SER A 91 16.504 24.670 -15.473 1.00 0.00 C ATOM 1515 OG SER A 91 16.730 24.619 -14.071 1.00 0.00 O ATOM 0 H SER A 91 15.256 22.331 -16.096 1.00 0.00 H new ATOM 0 HA SER A 91 14.409 24.993 -15.092 1.00 0.00 H new ATOM 0 HB2 SER A 91 17.130 23.936 -15.981 1.00 0.00 H new ATOM 0 HB3 SER A 91 16.782 25.649 -15.862 1.00 0.00 H new ATOM 0 HG SER A 91 17.676 24.796 -13.885 1.00 0.00 H new ATOM 1521 N ARG A 92 14.057 25.904 -17.382 1.00 0.00 N ATOM 1522 CA ARG A 92 13.697 26.362 -18.718 1.00 0.00 C ATOM 1523 C ARG A 92 14.950 26.692 -19.525 1.00 0.00 C ATOM 1524 O ARG A 92 15.722 25.801 -19.880 1.00 0.00 O ATOM 1525 CB ARG A 92 12.806 27.603 -18.621 1.00 0.00 C ATOM 1526 CG ARG A 92 11.414 27.196 -18.128 1.00 0.00 C ATOM 1527 CD ARG A 92 10.685 28.425 -17.580 1.00 0.00 C ATOM 1528 NE ARG A 92 9.260 28.147 -17.445 1.00 0.00 N ATOM 1529 CZ ARG A 92 8.810 27.281 -16.542 1.00 0.00 C ATOM 1530 NH1 ARG A 92 9.649 26.664 -15.755 1.00 0.00 N ATOM 1531 NH2 ARG A 92 7.530 27.047 -16.443 1.00 0.00 N ATOM 0 H ARG A 92 13.769 26.526 -16.627 1.00 0.00 H new ATOM 0 HA ARG A 92 13.153 25.564 -19.223 1.00 0.00 H new ATOM 0 HB2 ARG A 92 13.248 28.328 -17.938 1.00 0.00 H new ATOM 0 HB3 ARG A 92 12.731 28.087 -19.595 1.00 0.00 H new ATOM 0 HG2 ARG A 92 10.842 26.755 -18.945 1.00 0.00 H new ATOM 0 HG3 ARG A 92 11.500 26.435 -17.352 1.00 0.00 H new ATOM 0 HD2 ARG A 92 11.102 28.703 -16.612 1.00 0.00 H new ATOM 0 HD3 ARG A 92 10.836 29.274 -18.247 1.00 0.00 H new ATOM 0 HE ARG A 92 8.596 28.625 -18.054 1.00 0.00 H new ATOM 0 HH11 ARG A 92 10.650 26.846 -15.833 1.00 0.00 H new ATOM 0 HH12 ARG A 92 9.304 26.000 -15.062 1.00 0.00 H new ATOM 0 HH21 ARG A 92 6.874 27.528 -17.058 1.00 0.00 H new ATOM 0 HH22 ARG A 92 7.185 26.383 -15.750 1.00 0.00 H new ATOM 1545 N ASP A 93 15.146 27.974 -19.811 1.00 0.00 N ATOM 1546 CA ASP A 93 16.309 28.407 -20.576 1.00 0.00 C ATOM 1547 C ASP A 93 17.591 28.133 -19.796 1.00 0.00 C ATOM 1548 O ASP A 93 17.929 28.864 -18.865 1.00 0.00 O ATOM 1549 CB ASP A 93 16.206 29.901 -20.887 1.00 0.00 C ATOM 1550 CG ASP A 93 14.786 30.244 -21.325 1.00 0.00 C ATOM 1551 OD1 ASP A 93 13.917 30.286 -20.469 1.00 0.00 O ATOM 1552 OD2 ASP A 93 14.587 30.460 -22.509 1.00 0.00 O ATOM 0 H ASP A 93 14.519 28.727 -19.527 1.00 0.00 H new ATOM 0 HA ASP A 93 16.337 27.846 -21.510 1.00 0.00 H new ATOM 0 HB2 ASP A 93 16.475 30.484 -20.006 1.00 0.00 H new ATOM 0 HB3 ASP A 93 16.913 30.167 -21.673 1.00 0.00 H new ATOM 1557 N THR A 94 18.297 27.072 -20.177 1.00 0.00 N ATOM 1558 CA THR A 94 19.539 26.707 -19.501 1.00 0.00 C ATOM 1559 C THR A 94 20.751 27.128 -20.328 1.00 0.00 C ATOM 1560 O THR A 94 21.893 26.915 -19.922 1.00 0.00 O ATOM 1561 CB THR A 94 19.579 25.195 -19.266 1.00 0.00 C ATOM 1562 OG1 THR A 94 20.770 24.857 -18.567 1.00 0.00 O ATOM 1563 CG2 THR A 94 19.548 24.464 -20.609 1.00 0.00 C ATOM 0 H THR A 94 18.033 26.454 -20.944 1.00 0.00 H new ATOM 0 HA THR A 94 19.573 27.227 -18.544 1.00 0.00 H new ATOM 0 HB THR A 94 18.713 24.897 -18.675 1.00 0.00 H new ATOM 0 HG1 THR A 94 21.498 25.445 -18.858 1.00 0.00 H new ATOM 0 HG21 THR A 94 19.577 23.388 -20.438 1.00 0.00 H new ATOM 0 HG22 THR A 94 18.634 24.723 -21.143 1.00 0.00 H new ATOM 0 HG23 THR A 94 20.412 24.760 -21.204 1.00 0.00 H new ATOM 1571 N LEU A 95 20.498 27.732 -21.486 1.00 0.00 N ATOM 1572 CA LEU A 95 21.582 28.182 -22.357 1.00 0.00 C ATOM 1573 C LEU A 95 21.818 29.680 -22.185 1.00 0.00 C ATOM 1574 O LEU A 95 22.604 30.282 -22.917 1.00 0.00 O ATOM 1575 CB LEU A 95 21.265 27.869 -23.829 1.00 0.00 C ATOM 1576 CG LEU A 95 19.776 28.100 -24.137 1.00 0.00 C ATOM 1577 CD1 LEU A 95 18.918 26.994 -23.500 1.00 0.00 C ATOM 1578 CD2 LEU A 95 19.336 29.472 -23.609 1.00 0.00 C ATOM 0 H LEU A 95 19.561 27.920 -21.842 1.00 0.00 H new ATOM 0 HA LEU A 95 22.487 27.645 -22.073 1.00 0.00 H new ATOM 0 HB2 LEU A 95 21.875 28.498 -24.477 1.00 0.00 H new ATOM 0 HB3 LEU A 95 21.529 26.834 -24.049 1.00 0.00 H new ATOM 0 HG LEU A 95 19.637 28.072 -25.218 1.00 0.00 H new ATOM 0 HD11 LEU A 95 17.867 27.172 -23.727 1.00 0.00 H new ATOM 0 HD12 LEU A 95 19.217 26.025 -23.901 1.00 0.00 H new ATOM 0 HD13 LEU A 95 19.061 26.999 -22.419 1.00 0.00 H new ATOM 0 HD21 LEU A 95 18.280 29.626 -23.832 1.00 0.00 H new ATOM 0 HD22 LEU A 95 19.489 29.513 -22.531 1.00 0.00 H new ATOM 0 HD23 LEU A 95 19.926 30.253 -24.089 1.00 0.00 H new ATOM 1590 N TYR A 96 21.131 30.274 -21.213 1.00 0.00 N ATOM 1591 CA TYR A 96 21.267 31.704 -20.947 1.00 0.00 C ATOM 1592 C TYR A 96 21.971 31.929 -19.610 1.00 0.00 C ATOM 1593 O TYR A 96 22.754 31.090 -19.163 1.00 0.00 O ATOM 1594 CB TYR A 96 19.879 32.359 -20.922 1.00 0.00 C ATOM 1595 CG TYR A 96 19.948 33.735 -21.546 1.00 0.00 C ATOM 1596 CD1 TYR A 96 19.809 34.877 -20.747 1.00 0.00 C ATOM 1597 CD2 TYR A 96 20.153 33.867 -22.925 1.00 0.00 C ATOM 1598 CE1 TYR A 96 19.873 36.149 -21.328 1.00 0.00 C ATOM 1599 CE2 TYR A 96 20.216 35.139 -23.505 1.00 0.00 C ATOM 1600 CZ TYR A 96 20.077 36.280 -22.706 1.00 0.00 C ATOM 1601 OH TYR A 96 20.140 37.534 -23.279 1.00 0.00 O ATOM 0 H TYR A 96 20.477 29.790 -20.598 1.00 0.00 H new ATOM 0 HA TYR A 96 21.865 32.156 -21.738 1.00 0.00 H new ATOM 0 HB2 TYR A 96 19.165 31.739 -21.465 1.00 0.00 H new ATOM 0 HB3 TYR A 96 19.521 32.433 -19.895 1.00 0.00 H new ATOM 0 HD1 TYR A 96 19.653 34.776 -19.683 1.00 0.00 H new ATOM 0 HD2 TYR A 96 20.263 32.987 -23.541 1.00 0.00 H new ATOM 0 HE1 TYR A 96 19.765 37.030 -20.712 1.00 0.00 H new ATOM 0 HE2 TYR A 96 20.372 35.240 -24.569 1.00 0.00 H new ATOM 0 HH TYR A 96 20.287 37.446 -24.244 1.00 0.00 H new ATOM 1611 N GLN A 97 21.686 33.061 -18.977 1.00 0.00 N ATOM 1612 CA GLN A 97 22.298 33.378 -17.691 1.00 0.00 C ATOM 1613 C GLN A 97 21.522 34.487 -16.988 1.00 0.00 C ATOM 1614 O GLN A 97 20.977 35.383 -17.633 1.00 0.00 O ATOM 1615 CB GLN A 97 23.749 33.818 -17.892 1.00 0.00 C ATOM 1616 CG GLN A 97 24.485 33.784 -16.551 1.00 0.00 C ATOM 1617 CD GLN A 97 25.851 34.447 -16.688 1.00 0.00 C ATOM 1618 OE1 GLN A 97 26.108 35.475 -16.062 1.00 0.00 O ATOM 1619 NE2 GLN A 97 26.748 33.918 -17.474 1.00 0.00 N ATOM 0 H GLN A 97 21.041 33.769 -19.328 1.00 0.00 H new ATOM 0 HA GLN A 97 22.275 32.482 -17.071 1.00 0.00 H new ATOM 0 HB2 GLN A 97 24.244 33.160 -18.607 1.00 0.00 H new ATOM 0 HB3 GLN A 97 23.780 34.824 -18.310 1.00 0.00 H new ATOM 0 HG2 GLN A 97 23.897 34.298 -15.791 1.00 0.00 H new ATOM 0 HG3 GLN A 97 24.604 32.753 -16.218 1.00 0.00 H new ATOM 0 HE21 GLN A 97 26.533 33.066 -17.992 1.00 0.00 H new ATOM 0 HE22 GLN A 97 27.664 34.356 -17.570 1.00 0.00 H new ATOM 1628 N ASN A 98 21.475 34.421 -15.661 1.00 0.00 N ATOM 1629 CA ASN A 98 20.761 35.425 -14.880 1.00 0.00 C ATOM 1630 C ASN A 98 21.140 36.830 -15.340 1.00 0.00 C ATOM 1631 O ASN A 98 20.439 37.799 -15.047 1.00 0.00 O ATOM 1632 CB ASN A 98 21.092 35.264 -13.395 1.00 0.00 C ATOM 1633 CG ASN A 98 20.440 36.384 -12.590 1.00 0.00 C ATOM 1634 OD1 ASN A 98 20.860 37.538 -12.679 1.00 0.00 O ATOM 1635 ND2 ASN A 98 19.433 36.112 -11.808 1.00 0.00 N ATOM 0 H ASN A 98 21.919 33.689 -15.107 1.00 0.00 H new ATOM 0 HA ASN A 98 19.691 35.282 -15.030 1.00 0.00 H new ATOM 0 HB2 ASN A 98 20.740 34.296 -13.038 1.00 0.00 H new ATOM 0 HB3 ASN A 98 22.172 35.283 -13.251 1.00 0.00 H new ATOM 0 HD21 ASN A 98 18.991 36.856 -11.268 1.00 0.00 H new ATOM 0 HD22 ASN A 98 19.087 35.155 -11.736 1.00 0.00 H new ATOM 1642 N SER A 99 22.251 36.931 -16.060 1.00 0.00 N ATOM 1643 CA SER A 99 22.714 38.223 -16.555 1.00 0.00 C ATOM 1644 C SER A 99 23.940 38.046 -17.445 1.00 0.00 C ATOM 1645 O SER A 99 24.504 36.955 -17.533 1.00 0.00 O ATOM 1646 CB SER A 99 23.062 39.138 -15.380 1.00 0.00 C ATOM 1647 OG SER A 99 23.949 38.458 -14.502 1.00 0.00 O ATOM 0 H SER A 99 22.844 36.141 -16.313 1.00 0.00 H new ATOM 0 HA SER A 99 21.914 38.675 -17.142 1.00 0.00 H new ATOM 0 HB2 SER A 99 23.524 40.056 -15.743 1.00 0.00 H new ATOM 0 HB3 SER A 99 22.155 39.427 -14.848 1.00 0.00 H new ATOM 0 HG SER A 99 24.175 39.042 -13.749 1.00 0.00 H new ATOM 1653 N GLY A 100 24.347 39.124 -18.105 1.00 0.00 N ATOM 1654 CA GLY A 100 25.507 39.076 -18.987 1.00 0.00 C ATOM 1655 C GLY A 100 26.078 40.471 -19.212 1.00 0.00 C ATOM 1656 O GLY A 100 25.295 41.402 -19.308 1.00 0.00 O ATOM 1657 OXT GLY A 100 27.290 40.589 -19.283 1.00 0.00 O ATOM 0 H GLY A 100 23.895 40.036 -18.047 1.00 0.00 H new ATOM 0 HA2 GLY A 100 26.272 38.431 -18.554 1.00 0.00 H new ATOM 0 HA3 GLY A 100 25.224 38.636 -19.943 1.00 0.00 H new TER 1661 GLY A 100