USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 824 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 14 HIS : no HD1:sc= -0.198 K(o=1.1,f=0.32) USER MOD Set 1.2: A 98 SER OG : rot 159:sc= 1.28 USER MOD Set 2.1: A 60 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 99 LYS NZ :NH3+ -151:sc= -0.24 (180deg=-1.18!) USER MOD Set 3.1: A 44 MET CE :methyl -143:sc= -1.08 (180deg=-2.67) USER MOD Set 3.2: A 68 GLN : amide:sc= -1.84! K(o=-2.9!,f=-3.9) USER MOD Set 4.1: A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLU N :NH3+ -139:sc= -0.167 (180deg=-1.76!) USER MOD Single : A 10 HIS : no HD1:sc= -1.73 K(o=-1.7,f=-1.2) USER MOD Single : A 21 SER OG : rot 180:sc= -0.492 USER MOD Single : A 24 TYR OH : rot 49:sc= 0.768 USER MOD Single : A 29 ASN : amide:sc= -0.337 K(o=-0.34,f=-4.6!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 158:sc= -5.95! (180deg=-6.96!) USER MOD Single : A 41 HIS : no HD1:sc= -0.492 X(o=-0.49,f=-0.022) USER MOD Single : A 49 GLN : amide:sc= -0.0424 K(o=-0.042,f=-0.75) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.155 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 10:sc= 0.333 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.78! C(o=-1.8!,f=-10!) USER MOD Single : A 58 GLN : amide:sc= -0.174 K(o=-0.17,f=-2!) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 155:sc= -0.0315 USER MOD Single : A 75 MET CE :methyl 178:sc= 0 (180deg=-0.00226) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= -0.508 USER MOD Single : A 79 ASN : amide:sc= -0.537 K(o=-0.54,f=0.43) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.87 K(o=-0.87,f=-3.1!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=-0.0043) USER MOD Single : A 100 GLN : amide:sc= -0.0639 K(o=-0.064,f=-0.75) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 7.105 -6.233 -16.484 1.00 0.00 N ATOM 2 CA GLU A 1 8.223 -7.013 -17.068 1.00 0.00 C ATOM 3 C GLU A 1 8.042 -8.534 -17.020 1.00 0.00 C ATOM 4 O GLU A 1 8.326 -9.214 -17.999 1.00 0.00 O ATOM 5 CB GLU A 1 9.563 -6.668 -16.407 1.00 0.00 C ATOM 6 CG GLU A 1 10.402 -5.714 -17.268 1.00 0.00 C ATOM 7 CD GLU A 1 9.745 -4.342 -17.451 1.00 0.00 C ATOM 8 OE1 GLU A 1 9.365 -3.750 -16.416 1.00 0.00 O ATOM 9 OE2 GLU A 1 9.558 -3.962 -18.625 1.00 0.00 O ATOM 0 H1 GLU A 1 6.909 -5.405 -17.082 1.00 0.00 H new ATOM 0 H2 GLU A 1 6.255 -6.830 -16.431 1.00 0.00 H new ATOM 0 H3 GLU A 1 7.365 -5.916 -15.528 1.00 0.00 H new ATOM 0 HA GLU A 1 8.221 -6.717 -18.117 1.00 0.00 H new ATOM 0 HB2 GLU A 1 9.380 -6.212 -15.434 1.00 0.00 H new ATOM 0 HB3 GLU A 1 10.126 -7.584 -16.229 1.00 0.00 H new ATOM 0 HG2 GLU A 1 11.381 -5.584 -16.808 1.00 0.00 H new ATOM 0 HG3 GLU A 1 10.567 -6.166 -18.246 1.00 0.00 H new ATOM 17 N LEU A 2 7.558 -9.015 -15.869 1.00 0.00 N ATOM 18 CA LEU A 2 7.273 -10.438 -15.594 1.00 0.00 C ATOM 19 C LEU A 2 8.231 -11.419 -16.296 1.00 0.00 C ATOM 20 O LEU A 2 7.944 -11.991 -17.342 1.00 0.00 O ATOM 21 CB LEU A 2 5.784 -10.735 -15.862 1.00 0.00 C ATOM 22 CG LEU A 2 5.267 -10.328 -17.247 1.00 0.00 C ATOM 23 CD1 LEU A 2 4.903 -11.561 -18.073 1.00 0.00 C ATOM 24 CD2 LEU A 2 4.071 -9.386 -17.103 1.00 0.00 C ATOM 0 H LEU A 2 7.346 -8.410 -15.075 1.00 0.00 H new ATOM 0 HA LEU A 2 7.469 -10.612 -14.536 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.616 -11.804 -15.731 1.00 0.00 H new ATOM 0 HB3 LEU A 2 5.188 -10.223 -15.106 1.00 0.00 H new ATOM 0 HG LEU A 2 6.059 -9.799 -17.777 1.00 0.00 H new ATOM 0 HD11 LEU A 2 4.539 -11.249 -19.052 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.785 -12.189 -18.198 1.00 0.00 H new ATOM 0 HD13 LEU A 2 4.125 -12.126 -17.560 1.00 0.00 H new ATOM 0 HD21 LEU A 2 3.710 -9.102 -18.092 1.00 0.00 H new ATOM 0 HD22 LEU A 2 3.274 -9.891 -16.557 1.00 0.00 H new ATOM 0 HD23 LEU A 2 4.375 -8.493 -16.557 1.00 0.00 H new ATOM 36 N ILE A 3 9.436 -11.481 -15.739 1.00 0.00 N ATOM 37 CA ILE A 3 10.503 -12.330 -16.314 1.00 0.00 C ATOM 38 C ILE A 3 10.670 -13.652 -15.538 1.00 0.00 C ATOM 39 O ILE A 3 10.788 -14.719 -16.130 1.00 0.00 O ATOM 40 CB ILE A 3 11.791 -11.486 -16.476 1.00 0.00 C ATOM 41 CG1 ILE A 3 12.811 -12.079 -17.470 1.00 0.00 C ATOM 42 CG2 ILE A 3 12.420 -11.026 -15.148 1.00 0.00 C ATOM 43 CD1 ILE A 3 13.540 -13.381 -17.105 1.00 0.00 C ATOM 0 H ILE A 3 9.708 -10.966 -14.902 1.00 0.00 H new ATOM 0 HA ILE A 3 10.225 -12.662 -17.314 1.00 0.00 H new ATOM 0 HB ILE A 3 11.444 -10.566 -16.947 1.00 0.00 H new ATOM 0 HG12 ILE A 3 12.291 -12.247 -18.413 1.00 0.00 H new ATOM 0 HG13 ILE A 3 13.570 -11.319 -17.655 1.00 0.00 H new ATOM 0 HG21 ILE A 3 13.317 -10.442 -15.353 1.00 0.00 H new ATOM 0 HG22 ILE A 3 11.705 -10.413 -14.600 1.00 0.00 H new ATOM 0 HG23 ILE A 3 12.684 -11.898 -14.549 1.00 0.00 H new ATOM 0 HD11 ILE A 3 14.219 -13.657 -17.912 1.00 0.00 H new ATOM 0 HD12 ILE A 3 14.109 -13.234 -16.187 1.00 0.00 H new ATOM 0 HD13 ILE A 3 12.810 -14.177 -16.957 1.00 0.00 H new ATOM 55 N ARG A 4 10.539 -13.553 -14.218 1.00 0.00 N ATOM 56 CA ARG A 4 10.721 -14.684 -13.283 1.00 0.00 C ATOM 57 C ARG A 4 9.674 -14.641 -12.163 1.00 0.00 C ATOM 58 O ARG A 4 8.735 -15.429 -12.146 1.00 0.00 O ATOM 59 CB ARG A 4 12.119 -14.692 -12.651 1.00 0.00 C ATOM 60 CG ARG A 4 13.263 -14.808 -13.657 1.00 0.00 C ATOM 61 CD ARG A 4 14.177 -15.984 -13.308 1.00 0.00 C ATOM 62 NE ARG A 4 13.782 -17.192 -14.053 1.00 0.00 N ATOM 63 CZ ARG A 4 14.190 -17.519 -15.285 1.00 0.00 C ATOM 64 NH1 ARG A 4 14.963 -16.715 -16.002 1.00 0.00 N ATOM 65 NH2 ARG A 4 13.802 -18.657 -15.837 1.00 0.00 N ATOM 0 H ARG A 4 10.301 -12.678 -13.751 1.00 0.00 H new ATOM 0 HA ARG A 4 10.599 -15.593 -13.872 1.00 0.00 H new ATOM 0 HB2 ARG A 4 12.249 -13.776 -12.074 1.00 0.00 H new ATOM 0 HB3 ARG A 4 12.183 -15.523 -11.949 1.00 0.00 H new ATOM 0 HG2 ARG A 4 12.859 -14.941 -14.660 1.00 0.00 H new ATOM 0 HG3 ARG A 4 13.840 -13.883 -13.666 1.00 0.00 H new ATOM 0 HD2 ARG A 4 15.211 -15.729 -13.542 1.00 0.00 H new ATOM 0 HD3 ARG A 4 14.131 -16.181 -12.237 1.00 0.00 H new ATOM 0 HE ARG A 4 13.141 -17.836 -13.589 1.00 0.00 H new ATOM 0 HH11 ARG A 4 15.263 -15.819 -15.617 1.00 0.00 H new ATOM 0 HH12 ARG A 4 15.258 -16.992 -16.938 1.00 0.00 H new ATOM 0 HH21 ARG A 4 13.189 -19.290 -15.323 1.00 0.00 H new ATOM 0 HH22 ARG A 4 14.116 -18.901 -16.776 1.00 0.00 H new ATOM 79 N VAL A 5 9.748 -13.577 -11.359 1.00 0.00 N ATOM 80 CA VAL A 5 8.783 -13.334 -10.266 1.00 0.00 C ATOM 81 C VAL A 5 7.365 -13.018 -10.788 1.00 0.00 C ATOM 82 O VAL A 5 6.404 -12.944 -10.029 1.00 0.00 O ATOM 83 CB VAL A 5 9.333 -12.271 -9.294 1.00 0.00 C ATOM 84 CG1 VAL A 5 9.420 -10.854 -9.881 1.00 0.00 C ATOM 85 CG2 VAL A 5 8.563 -12.314 -7.973 1.00 0.00 C ATOM 0 H VAL A 5 10.470 -12.861 -11.440 1.00 0.00 H new ATOM 0 HA VAL A 5 8.668 -14.258 -9.700 1.00 0.00 H new ATOM 0 HB VAL A 5 10.373 -12.536 -9.101 1.00 0.00 H new ATOM 0 HG11 VAL A 5 9.817 -10.172 -9.129 1.00 0.00 H new ATOM 0 HG12 VAL A 5 10.079 -10.860 -10.749 1.00 0.00 H new ATOM 0 HG13 VAL A 5 8.426 -10.523 -10.182 1.00 0.00 H new ATOM 0 HG21 VAL A 5 8.961 -11.559 -7.295 1.00 0.00 H new ATOM 0 HG22 VAL A 5 7.508 -12.114 -8.160 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.671 -13.300 -7.521 1.00 0.00 H new ATOM 95 N ALA A 6 7.319 -12.643 -12.067 1.00 0.00 N ATOM 96 CA ALA A 6 6.119 -12.215 -12.806 1.00 0.00 C ATOM 97 C ALA A 6 5.596 -10.857 -12.308 1.00 0.00 C ATOM 98 O ALA A 6 4.431 -10.528 -12.507 1.00 0.00 O ATOM 99 CB ALA A 6 5.034 -13.307 -12.808 1.00 0.00 C ATOM 0 H ALA A 6 8.156 -12.627 -12.649 1.00 0.00 H new ATOM 0 HA ALA A 6 6.409 -12.067 -13.846 1.00 0.00 H new ATOM 0 HB1 ALA A 6 4.164 -12.955 -13.363 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.425 -14.208 -13.281 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.743 -13.533 -11.782 1.00 0.00 H new ATOM 105 N ILE A 7 6.542 -10.019 -11.855 1.00 0.00 N ATOM 106 CA ILE A 7 6.312 -8.681 -11.259 1.00 0.00 C ATOM 107 C ILE A 7 4.938 -8.635 -10.567 1.00 0.00 C ATOM 108 O ILE A 7 3.939 -8.191 -11.125 1.00 0.00 O ATOM 109 CB ILE A 7 6.575 -7.555 -12.296 1.00 0.00 C ATOM 110 CG1 ILE A 7 6.651 -6.135 -11.692 1.00 0.00 C ATOM 111 CG2 ILE A 7 5.682 -7.620 -13.548 1.00 0.00 C ATOM 112 CD1 ILE A 7 5.363 -5.444 -11.215 1.00 0.00 C ATOM 0 H ILE A 7 7.532 -10.260 -11.893 1.00 0.00 H new ATOM 0 HA ILE A 7 7.037 -8.493 -10.468 1.00 0.00 H new ATOM 0 HB ILE A 7 7.583 -7.774 -12.649 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.332 -6.178 -10.842 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.112 -5.487 -12.438 1.00 0.00 H new ATOM 0 HG21 ILE A 7 5.933 -6.797 -14.217 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.844 -8.568 -14.061 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.636 -7.541 -13.253 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.604 -4.457 -10.821 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.673 -5.342 -12.053 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.897 -6.043 -10.432 1.00 0.00 H new ATOM 124 N LEU A 8 4.876 -9.327 -9.435 1.00 0.00 N ATOM 125 CA LEU A 8 3.603 -9.447 -8.700 1.00 0.00 C ATOM 126 C LEU A 8 3.151 -8.062 -8.192 1.00 0.00 C ATOM 127 O LEU A 8 3.707 -7.028 -8.563 1.00 0.00 O ATOM 128 CB LEU A 8 3.784 -10.463 -7.564 1.00 0.00 C ATOM 129 CG LEU A 8 4.324 -11.829 -8.002 1.00 0.00 C ATOM 130 CD1 LEU A 8 4.565 -12.657 -6.743 1.00 0.00 C ATOM 131 CD2 LEU A 8 3.404 -12.561 -8.989 1.00 0.00 C ATOM 0 H LEU A 8 5.667 -9.807 -9.006 1.00 0.00 H new ATOM 0 HA LEU A 8 2.812 -9.811 -9.356 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.462 -10.041 -6.823 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.823 -10.609 -7.070 1.00 0.00 H new ATOM 0 HG LEU A 8 5.254 -11.679 -8.550 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.951 -13.638 -7.021 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.290 -12.149 -6.107 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.627 -12.776 -6.201 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.847 -13.520 -9.257 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.432 -12.727 -8.525 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.279 -11.956 -9.887 1.00 0.00 H new ATOM 143 N TRP A 9 2.280 -8.060 -7.192 1.00 0.00 N ATOM 144 CA TRP A 9 1.875 -6.795 -6.550 1.00 0.00 C ATOM 145 C TRP A 9 2.705 -6.453 -5.303 1.00 0.00 C ATOM 146 O TRP A 9 3.064 -5.300 -5.104 1.00 0.00 O ATOM 147 CB TRP A 9 0.367 -6.740 -6.308 1.00 0.00 C ATOM 148 CG TRP A 9 -0.444 -6.828 -7.618 1.00 0.00 C ATOM 149 CD1 TRP A 9 -0.082 -6.436 -8.847 1.00 0.00 C ATOM 150 CD2 TRP A 9 -1.753 -7.240 -7.701 1.00 0.00 C ATOM 151 NE1 TRP A 9 -1.117 -6.558 -9.675 1.00 0.00 N ATOM 152 CE2 TRP A 9 -2.153 -7.067 -9.034 1.00 0.00 C ATOM 153 CE3 TRP A 9 -2.681 -7.636 -6.755 1.00 0.00 C ATOM 154 CZ2 TRP A 9 -3.470 -7.316 -9.390 1.00 0.00 C ATOM 155 CZ3 TRP A 9 -3.986 -7.934 -7.117 1.00 0.00 C ATOM 156 CH2 TRP A 9 -4.378 -7.774 -8.446 1.00 0.00 C ATOM 0 H TRP A 9 1.842 -8.897 -6.806 1.00 0.00 H new ATOM 0 HA TRP A 9 2.103 -6.000 -7.260 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.078 -7.559 -5.649 1.00 0.00 H new ATOM 0 HB3 TRP A 9 0.118 -5.813 -5.792 1.00 0.00 H new ATOM 0 HD1 TRP A 9 0.898 -6.077 -9.123 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -1.111 -6.296 -10.661 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -2.385 -7.714 -5.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -3.791 -7.152 -10.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -4.691 -8.286 -6.378 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -5.390 -8.007 -8.741 1.00 0.00 H new ATOM 167 N HIS A 10 3.285 -7.491 -4.699 1.00 0.00 N ATOM 168 CA HIS A 10 4.275 -7.369 -3.604 1.00 0.00 C ATOM 169 C HIS A 10 5.532 -6.585 -4.051 1.00 0.00 C ATOM 170 O HIS A 10 6.079 -5.774 -3.311 1.00 0.00 O ATOM 171 CB HIS A 10 4.554 -8.802 -3.113 1.00 0.00 C ATOM 172 CG HIS A 10 5.988 -9.145 -2.647 1.00 0.00 C ATOM 173 ND1 HIS A 10 6.392 -9.467 -1.430 1.00 0.00 N ATOM 174 CD2 HIS A 10 7.042 -9.194 -3.445 1.00 0.00 C ATOM 175 CE1 HIS A 10 7.716 -9.676 -1.477 1.00 0.00 C ATOM 176 NE2 HIS A 10 8.114 -9.508 -2.731 1.00 0.00 N ATOM 0 H HIS A 10 3.084 -8.458 -4.953 1.00 0.00 H new ATOM 0 HA HIS A 10 3.894 -6.776 -2.773 1.00 0.00 H new ATOM 0 HB2 HIS A 10 3.876 -9.009 -2.285 1.00 0.00 H new ATOM 0 HB3 HIS A 10 4.292 -9.488 -3.919 1.00 0.00 H new ATOM 0 HD2 HIS A 10 7.031 -9.008 -4.509 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.348 -9.936 -0.640 1.00 0.00 H new ATOM 0 HE2 HIS A 10 9.067 -9.603 -3.081 1.00 0.00 H new ATOM 184 N GLU A 11 5.911 -6.786 -5.313 1.00 0.00 N ATOM 185 CA GLU A 11 7.130 -6.196 -5.910 1.00 0.00 C ATOM 186 C GLU A 11 6.963 -4.695 -6.179 1.00 0.00 C ATOM 187 O GLU A 11 7.770 -3.878 -5.736 1.00 0.00 O ATOM 188 CB GLU A 11 7.501 -6.939 -7.200 1.00 0.00 C ATOM 189 CG GLU A 11 7.735 -8.442 -6.980 1.00 0.00 C ATOM 190 CD GLU A 11 8.952 -8.825 -6.117 1.00 0.00 C ATOM 191 OE1 GLU A 11 9.426 -7.984 -5.326 1.00 0.00 O ATOM 192 OE2 GLU A 11 9.421 -9.959 -6.333 1.00 0.00 O ATOM 0 H GLU A 11 5.382 -7.367 -5.964 1.00 0.00 H new ATOM 0 HA GLU A 11 7.941 -6.308 -5.190 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.705 -6.804 -7.932 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.402 -6.494 -7.623 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.842 -8.863 -6.518 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.844 -8.917 -7.955 1.00 0.00 H new ATOM 199 N MET A 12 5.766 -4.360 -6.659 1.00 0.00 N ATOM 200 CA MET A 12 5.362 -2.967 -6.907 1.00 0.00 C ATOM 201 C MET A 12 4.934 -2.262 -5.603 1.00 0.00 C ATOM 202 O MET A 12 4.582 -1.091 -5.633 1.00 0.00 O ATOM 203 CB MET A 12 4.255 -2.945 -7.971 1.00 0.00 C ATOM 204 CG MET A 12 2.860 -3.289 -7.434 1.00 0.00 C ATOM 205 SD MET A 12 1.576 -3.631 -8.690 1.00 0.00 S ATOM 206 CE MET A 12 1.598 -2.153 -9.678 1.00 0.00 C ATOM 0 H MET A 12 5.045 -5.044 -6.889 1.00 0.00 H new ATOM 0 HA MET A 12 6.216 -2.406 -7.286 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.223 -1.955 -8.426 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.512 -3.650 -8.761 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.947 -4.161 -6.786 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.519 -2.462 -6.811 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.860 -2.238 -10.476 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.358 -1.293 -9.052 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.589 -2.020 -10.112 1.00 0.00 H new ATOM 216 N TRP A 13 4.980 -2.981 -4.484 1.00 0.00 N ATOM 217 CA TRP A 13 4.647 -2.448 -3.155 1.00 0.00 C ATOM 218 C TRP A 13 5.824 -1.763 -2.455 1.00 0.00 C ATOM 219 O TRP A 13 5.660 -0.646 -1.979 1.00 0.00 O ATOM 220 CB TRP A 13 4.041 -3.540 -2.275 1.00 0.00 C ATOM 221 CG TRP A 13 2.507 -3.566 -2.308 1.00 0.00 C ATOM 222 CD1 TRP A 13 1.751 -4.663 -2.395 1.00 0.00 C ATOM 223 CD2 TRP A 13 1.666 -2.473 -2.291 1.00 0.00 C ATOM 224 NE1 TRP A 13 0.472 -4.305 -2.453 1.00 0.00 N ATOM 225 CE2 TRP A 13 0.366 -2.989 -2.404 1.00 0.00 C ATOM 226 CE3 TRP A 13 1.854 -1.114 -2.098 1.00 0.00 C ATOM 227 CZ2 TRP A 13 -0.710 -2.125 -2.344 1.00 0.00 C ATOM 228 CZ3 TRP A 13 0.768 -0.270 -1.965 1.00 0.00 C ATOM 229 CH2 TRP A 13 -0.524 -0.777 -2.096 1.00 0.00 C ATOM 0 H TRP A 13 5.253 -3.964 -4.469 1.00 0.00 H new ATOM 0 HA TRP A 13 3.904 -1.666 -3.315 1.00 0.00 H new ATOM 0 HB2 TRP A 13 4.421 -4.509 -2.598 1.00 0.00 H new ATOM 0 HB3 TRP A 13 4.373 -3.394 -1.247 1.00 0.00 H new ATOM 0 HD1 TRP A 13 2.119 -5.678 -2.415 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -0.313 -4.952 -2.525 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.855 -0.712 -2.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.709 -2.507 -2.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 0.920 0.779 -1.760 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.376 -0.120 -2.004 1.00 0.00 H new ATOM 240 N HIS A 14 7.031 -2.275 -2.706 1.00 0.00 N ATOM 241 CA HIS A 14 8.283 -1.696 -2.172 1.00 0.00 C ATOM 242 C HIS A 14 8.442 -0.212 -2.556 1.00 0.00 C ATOM 243 O HIS A 14 8.458 0.670 -1.701 1.00 0.00 O ATOM 244 CB HIS A 14 9.465 -2.497 -2.719 1.00 0.00 C ATOM 245 CG HIS A 14 10.205 -3.277 -1.622 1.00 0.00 C ATOM 246 ND1 HIS A 14 10.527 -4.561 -1.698 1.00 0.00 N ATOM 247 CD2 HIS A 14 10.860 -2.739 -0.602 1.00 0.00 C ATOM 248 CE1 HIS A 14 11.400 -4.819 -0.719 1.00 0.00 C ATOM 249 NE2 HIS A 14 11.607 -3.693 -0.045 1.00 0.00 N ATOM 0 H HIS A 14 7.177 -3.103 -3.284 1.00 0.00 H new ATOM 0 HA HIS A 14 8.250 -1.750 -1.084 1.00 0.00 H new ATOM 0 HB2 HIS A 14 9.108 -3.194 -3.478 1.00 0.00 H new ATOM 0 HB3 HIS A 14 10.162 -1.819 -3.212 1.00 0.00 H new ATOM 0 HD2 HIS A 14 10.799 -1.710 -0.279 1.00 0.00 H new ATOM 0 HE1 HIS A 14 11.857 -5.775 -0.512 1.00 0.00 H new ATOM 0 HE2 HIS A 14 12.227 -3.578 0.757 1.00 0.00 H new ATOM 257 N GLU A 15 8.227 0.035 -3.847 1.00 0.00 N ATOM 258 CA GLU A 15 8.274 1.390 -4.427 1.00 0.00 C ATOM 259 C GLU A 15 6.886 2.039 -4.490 1.00 0.00 C ATOM 260 O GLU A 15 6.772 3.236 -4.269 1.00 0.00 O ATOM 261 CB GLU A 15 8.970 1.382 -5.797 1.00 0.00 C ATOM 262 CG GLU A 15 8.199 0.738 -6.960 1.00 0.00 C ATOM 263 CD GLU A 15 7.247 1.719 -7.661 1.00 0.00 C ATOM 264 OE1 GLU A 15 7.738 2.778 -8.105 1.00 0.00 O ATOM 265 OE2 GLU A 15 6.050 1.372 -7.752 1.00 0.00 O ATOM 0 H GLU A 15 8.014 -0.695 -4.527 1.00 0.00 H new ATOM 0 HA GLU A 15 8.873 2.010 -3.760 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.197 2.413 -6.069 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.923 0.863 -5.692 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.910 0.346 -7.688 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.627 -0.110 -6.585 1.00 0.00 H new ATOM 272 N GLY A 16 5.841 1.243 -4.744 1.00 0.00 N ATOM 273 CA GLY A 16 4.460 1.757 -4.773 1.00 0.00 C ATOM 274 C GLY A 16 4.015 2.368 -3.442 1.00 0.00 C ATOM 275 O GLY A 16 3.232 3.316 -3.420 1.00 0.00 O ATOM 0 H GLY A 16 5.921 0.244 -4.932 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.376 2.510 -5.557 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.783 0.945 -5.037 1.00 0.00 H new ATOM 279 N LEU A 17 4.599 1.860 -2.361 1.00 0.00 N ATOM 280 CA LEU A 17 4.486 2.480 -1.038 1.00 0.00 C ATOM 281 C LEU A 17 5.533 3.559 -0.792 1.00 0.00 C ATOM 282 O LEU A 17 5.140 4.616 -0.343 1.00 0.00 O ATOM 283 CB LEU A 17 4.469 1.465 0.107 1.00 0.00 C ATOM 284 CG LEU A 17 3.046 0.972 0.383 1.00 0.00 C ATOM 285 CD1 LEU A 17 3.079 -0.156 1.412 1.00 0.00 C ATOM 286 CD2 LEU A 17 2.162 2.111 0.899 1.00 0.00 C ATOM 0 H LEU A 17 5.163 1.010 -2.373 1.00 0.00 H new ATOM 0 HA LEU A 17 3.512 2.969 -1.047 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.109 0.619 -0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.881 1.921 1.008 1.00 0.00 H new ATOM 0 HG LEU A 17 2.625 0.603 -0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.064 -0.503 1.604 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.678 -0.982 1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.519 0.210 2.339 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.157 1.735 1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.581 2.506 1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.119 2.904 0.153 1.00 0.00 H new ATOM 298 N GLU A 18 6.715 3.442 -1.395 1.00 0.00 N ATOM 299 CA GLU A 18 7.782 4.449 -1.242 1.00 0.00 C ATOM 300 C GLU A 18 7.464 5.753 -1.990 1.00 0.00 C ATOM 301 O GLU A 18 7.446 6.794 -1.350 1.00 0.00 O ATOM 302 CB GLU A 18 9.134 3.875 -1.667 1.00 0.00 C ATOM 303 CG GLU A 18 10.283 4.758 -1.172 1.00 0.00 C ATOM 304 CD GLU A 18 11.621 4.042 -1.348 1.00 0.00 C ATOM 305 OE1 GLU A 18 11.936 3.221 -0.460 1.00 0.00 O ATOM 306 OE2 GLU A 18 12.293 4.330 -2.361 1.00 0.00 O ATOM 0 H GLU A 18 6.966 2.659 -1.998 1.00 0.00 H new ATOM 0 HA GLU A 18 7.838 4.704 -0.184 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.247 2.867 -1.268 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.174 3.794 -2.753 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.291 5.698 -1.724 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.132 5.007 -0.122 1.00 0.00 H new ATOM 313 N GLU A 19 6.939 5.652 -3.208 1.00 0.00 N ATOM 314 CA GLU A 19 6.495 6.803 -4.019 1.00 0.00 C ATOM 315 C GLU A 19 5.260 7.493 -3.407 1.00 0.00 C ATOM 316 O GLU A 19 4.954 8.624 -3.749 1.00 0.00 O ATOM 317 CB GLU A 19 6.257 6.359 -5.472 1.00 0.00 C ATOM 318 CG GLU A 19 5.924 7.499 -6.449 1.00 0.00 C ATOM 319 CD GLU A 19 6.949 8.640 -6.415 1.00 0.00 C ATOM 320 OE1 GLU A 19 7.991 8.482 -7.086 1.00 0.00 O ATOM 321 OE2 GLU A 19 6.670 9.647 -5.729 1.00 0.00 O ATOM 0 H GLU A 19 6.804 4.756 -3.676 1.00 0.00 H new ATOM 0 HA GLU A 19 7.286 7.553 -4.021 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.147 5.842 -5.829 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.441 5.637 -5.487 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.869 7.098 -7.461 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.938 7.897 -6.210 1.00 0.00 H new ATOM 328 N ALA A 20 4.545 6.785 -2.537 1.00 0.00 N ATOM 329 CA ALA A 20 3.405 7.332 -1.777 1.00 0.00 C ATOM 330 C ALA A 20 3.822 7.880 -0.410 1.00 0.00 C ATOM 331 O ALA A 20 3.664 9.061 -0.102 1.00 0.00 O ATOM 332 CB ALA A 20 2.373 6.235 -1.542 1.00 0.00 C ATOM 0 H ALA A 20 4.736 5.804 -2.332 1.00 0.00 H new ATOM 0 HA ALA A 20 2.994 8.149 -2.370 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.532 6.641 -0.980 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.020 5.856 -2.501 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.828 5.422 -0.976 1.00 0.00 H new ATOM 338 N SER A 21 4.430 6.991 0.365 1.00 0.00 N ATOM 339 CA SER A 21 4.977 7.258 1.700 1.00 0.00 C ATOM 340 C SER A 21 5.945 8.440 1.674 1.00 0.00 C ATOM 341 O SER A 21 5.737 9.363 2.444 1.00 0.00 O ATOM 342 CB SER A 21 5.634 6.024 2.340 1.00 0.00 C ATOM 343 OG SER A 21 6.870 5.675 1.711 1.00 0.00 O ATOM 0 H SER A 21 4.564 6.023 0.074 1.00 0.00 H new ATOM 0 HA SER A 21 4.127 7.519 2.331 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.810 6.218 3.398 1.00 0.00 H new ATOM 0 HB3 SER A 21 4.948 5.179 2.280 1.00 0.00 H new ATOM 0 HG SER A 21 7.250 4.887 2.152 1.00 0.00 H new ATOM 349 N ARG A 22 6.664 8.594 0.558 1.00 0.00 N ATOM 350 CA ARG A 22 7.584 9.725 0.351 1.00 0.00 C ATOM 351 C ARG A 22 6.861 11.079 0.331 1.00 0.00 C ATOM 352 O ARG A 22 7.290 12.010 1.013 1.00 0.00 O ATOM 353 CB ARG A 22 8.413 9.549 -0.920 1.00 0.00 C ATOM 354 CG ARG A 22 9.404 10.699 -1.061 1.00 0.00 C ATOM 355 CD ARG A 22 10.498 10.366 -2.058 1.00 0.00 C ATOM 356 NE ARG A 22 11.391 11.531 -2.077 1.00 0.00 N ATOM 357 CZ ARG A 22 12.719 11.499 -2.172 1.00 0.00 C ATOM 358 NH1 ARG A 22 13.390 10.355 -2.172 1.00 0.00 N ATOM 359 NH2 ARG A 22 13.396 12.633 -2.228 1.00 0.00 N ATOM 0 H ARG A 22 6.628 7.943 -0.226 1.00 0.00 H new ATOM 0 HA ARG A 22 8.257 9.726 1.208 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.948 8.600 -0.887 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.757 9.515 -1.790 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.878 11.598 -1.382 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.849 10.920 -0.091 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.036 9.466 -1.762 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.081 10.177 -3.047 1.00 0.00 H new ATOM 0 HE ARG A 22 10.954 12.450 -2.011 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.889 9.470 -2.098 1.00 0.00 H new ATOM 0 HH12 ARG A 22 14.407 10.360 -2.246 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.901 13.524 -2.198 1.00 0.00 H new ATOM 0 HH22 ARG A 22 14.413 12.617 -2.301 1.00 0.00 H new ATOM 373 N LEU A 23 5.701 11.117 -0.325 1.00 0.00 N ATOM 374 CA LEU A 23 4.877 12.338 -0.383 1.00 0.00 C ATOM 375 C LEU A 23 4.573 12.896 1.014 1.00 0.00 C ATOM 376 O LEU A 23 4.694 14.095 1.254 1.00 0.00 O ATOM 377 CB LEU A 23 3.549 12.112 -1.116 1.00 0.00 C ATOM 378 CG LEU A 23 3.511 12.482 -2.609 1.00 0.00 C ATOM 379 CD1 LEU A 23 4.080 13.871 -2.904 1.00 0.00 C ATOM 380 CD2 LEU A 23 4.175 11.432 -3.488 1.00 0.00 C ATOM 0 H LEU A 23 5.306 10.321 -0.825 1.00 0.00 H new ATOM 0 HA LEU A 23 5.473 13.061 -0.940 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.282 11.060 -1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.776 12.685 -0.604 1.00 0.00 H new ATOM 0 HG LEU A 23 2.451 12.511 -2.863 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.023 14.068 -3.975 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.503 14.623 -2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.121 13.914 -2.582 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.120 11.743 -4.531 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.220 11.322 -3.197 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.662 10.478 -3.366 1.00 0.00 H new ATOM 392 N TYR A 24 4.246 12.013 1.953 1.00 0.00 N ATOM 393 CA TYR A 24 4.096 12.451 3.352 1.00 0.00 C ATOM 394 C TYR A 24 5.450 12.562 4.070 1.00 0.00 C ATOM 395 O TYR A 24 5.650 13.503 4.835 1.00 0.00 O ATOM 396 CB TYR A 24 3.124 11.575 4.160 1.00 0.00 C ATOM 397 CG TYR A 24 3.691 10.259 4.693 1.00 0.00 C ATOM 398 CD1 TYR A 24 4.562 10.306 5.782 1.00 0.00 C ATOM 399 CD2 TYR A 24 3.420 9.032 4.098 1.00 0.00 C ATOM 400 CE1 TYR A 24 5.186 9.172 6.241 1.00 0.00 C ATOM 401 CE2 TYR A 24 4.003 7.886 4.597 1.00 0.00 C ATOM 402 CZ TYR A 24 4.926 7.949 5.633 1.00 0.00 C ATOM 403 OH TYR A 24 5.743 6.899 5.862 1.00 0.00 O ATOM 0 H TYR A 24 4.083 11.020 1.788 1.00 0.00 H new ATOM 0 HA TYR A 24 3.656 13.447 3.298 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.758 12.158 5.005 1.00 0.00 H new ATOM 0 HB3 TYR A 24 2.263 11.348 3.532 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.749 11.250 6.272 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.756 8.976 3.248 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.875 9.230 7.070 1.00 0.00 H new ATOM 0 HE2 TYR A 24 3.738 6.927 4.177 1.00 0.00 H new ATOM 0 HH TYR A 24 5.887 6.801 6.826 1.00 0.00 H new ATOM 413 N PHE A 25 6.331 11.594 3.797 1.00 0.00 N ATOM 414 CA PHE A 25 7.638 11.365 4.447 1.00 0.00 C ATOM 415 C PHE A 25 8.407 12.674 4.655 1.00 0.00 C ATOM 416 O PHE A 25 8.956 12.911 5.728 1.00 0.00 O ATOM 417 CB PHE A 25 8.445 10.408 3.553 1.00 0.00 C ATOM 418 CG PHE A 25 9.808 9.983 4.081 1.00 0.00 C ATOM 419 CD1 PHE A 25 10.856 10.904 4.155 1.00 0.00 C ATOM 420 CD2 PHE A 25 10.013 8.672 4.497 1.00 0.00 C ATOM 421 CE1 PHE A 25 12.074 10.529 4.675 1.00 0.00 C ATOM 422 CE2 PHE A 25 11.239 8.292 5.008 1.00 0.00 C ATOM 423 CZ PHE A 25 12.275 9.222 5.109 1.00 0.00 C ATOM 0 H PHE A 25 6.144 10.902 3.071 1.00 0.00 H new ATOM 0 HA PHE A 25 7.480 10.933 5.435 1.00 0.00 H new ATOM 0 HB2 PHE A 25 7.848 9.512 3.385 1.00 0.00 H new ATOM 0 HB3 PHE A 25 8.587 10.884 2.583 1.00 0.00 H new ATOM 0 HD1 PHE A 25 10.710 11.914 3.803 1.00 0.00 H new ATOM 0 HD2 PHE A 25 9.213 7.950 4.421 1.00 0.00 H new ATOM 0 HE1 PHE A 25 12.875 11.250 4.746 1.00 0.00 H new ATOM 0 HE2 PHE A 25 11.396 7.273 5.330 1.00 0.00 H new ATOM 0 HZ PHE A 25 13.229 8.929 5.522 1.00 0.00 H new ATOM 433 N GLY A 26 8.353 13.506 3.609 1.00 0.00 N ATOM 434 CA GLY A 26 8.972 14.841 3.617 1.00 0.00 C ATOM 435 C GLY A 26 8.565 15.632 2.373 1.00 0.00 C ATOM 436 O GLY A 26 9.368 15.861 1.473 1.00 0.00 O ATOM 0 H GLY A 26 7.881 13.276 2.734 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.670 15.382 4.513 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.057 14.744 3.654 1.00 0.00 H new ATOM 440 N GLU A 27 7.298 16.032 2.365 1.00 0.00 N ATOM 441 CA GLU A 27 6.718 16.858 1.281 1.00 0.00 C ATOM 442 C GLU A 27 5.387 17.504 1.670 1.00 0.00 C ATOM 443 O GLU A 27 5.087 18.596 1.196 1.00 0.00 O ATOM 444 CB GLU A 27 6.492 16.039 0.007 1.00 0.00 C ATOM 445 CG GLU A 27 7.151 16.666 -1.219 1.00 0.00 C ATOM 446 CD GLU A 27 8.129 15.689 -1.879 1.00 0.00 C ATOM 447 OE1 GLU A 27 7.779 14.491 -2.000 1.00 0.00 O ATOM 448 OE2 GLU A 27 9.176 16.185 -2.347 1.00 0.00 O ATOM 0 H GLU A 27 6.634 15.799 3.104 1.00 0.00 H new ATOM 0 HA GLU A 27 7.452 17.644 1.100 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.886 15.033 0.152 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.421 15.940 -0.172 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.385 16.960 -1.937 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.680 17.574 -0.927 1.00 0.00 H new ATOM 455 N ARG A 28 4.584 16.767 2.445 1.00 0.00 N ATOM 456 CA ARG A 28 3.271 17.208 2.967 1.00 0.00 C ATOM 457 C ARG A 28 2.225 17.281 1.834 1.00 0.00 C ATOM 458 O ARG A 28 1.326 18.120 1.800 1.00 0.00 O ATOM 459 CB ARG A 28 3.419 18.553 3.695 1.00 0.00 C ATOM 460 CG ARG A 28 2.642 18.591 5.006 1.00 0.00 C ATOM 461 CD ARG A 28 2.393 20.047 5.391 1.00 0.00 C ATOM 462 NE ARG A 28 3.322 20.545 6.420 1.00 0.00 N ATOM 463 CZ ARG A 28 3.034 21.527 7.282 1.00 0.00 C ATOM 464 NH1 ARG A 28 1.869 22.161 7.237 1.00 0.00 N ATOM 465 NH2 ARG A 28 3.912 21.904 8.196 1.00 0.00 N ATOM 0 H ARG A 28 4.829 15.821 2.738 1.00 0.00 H new ATOM 0 HA ARG A 28 2.911 16.473 3.688 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.474 18.741 3.895 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.070 19.355 3.045 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.695 18.062 4.898 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.203 18.084 5.791 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.479 20.671 4.501 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.370 20.150 5.754 1.00 0.00 H new ATOM 0 HE ARG A 28 4.244 20.113 6.479 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.174 21.902 6.536 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.668 22.907 7.903 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.821 21.445 8.250 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.680 22.654 8.847 1.00 0.00 H new ATOM 479 N ASN A 29 2.307 16.284 0.955 1.00 0.00 N ATOM 480 CA ASN A 29 1.398 16.174 -0.193 1.00 0.00 C ATOM 481 C ASN A 29 0.781 14.768 -0.217 1.00 0.00 C ATOM 482 O ASN A 29 0.999 13.953 -1.113 1.00 0.00 O ATOM 483 CB ASN A 29 2.167 16.525 -1.473 1.00 0.00 C ATOM 484 CG ASN A 29 1.252 16.832 -2.659 1.00 0.00 C ATOM 485 OD1 ASN A 29 0.054 16.557 -2.672 1.00 0.00 O ATOM 486 ND2 ASN A 29 1.826 17.402 -3.692 1.00 0.00 N ATOM 0 H ASN A 29 2.997 15.535 1.014 1.00 0.00 H new ATOM 0 HA ASN A 29 0.570 16.879 -0.114 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.805 17.388 -1.281 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.824 15.695 -1.734 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.277 17.624 -4.523 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.821 17.623 -3.665 1.00 0.00 H new ATOM 493 N VAL A 30 -0.039 14.530 0.803 1.00 0.00 N ATOM 494 CA VAL A 30 -0.808 13.272 0.963 1.00 0.00 C ATOM 495 C VAL A 30 -1.755 13.045 -0.238 1.00 0.00 C ATOM 496 O VAL A 30 -1.958 11.914 -0.671 1.00 0.00 O ATOM 497 CB VAL A 30 -1.535 13.253 2.327 1.00 0.00 C ATOM 498 CG1 VAL A 30 -2.390 11.998 2.527 1.00 0.00 C ATOM 499 CG2 VAL A 30 -0.535 13.337 3.488 1.00 0.00 C ATOM 0 H VAL A 30 -0.199 15.202 1.554 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.117 12.429 0.966 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.189 14.125 2.322 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.876 12.040 3.502 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.148 11.946 1.745 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.755 11.113 2.476 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.075 13.322 4.435 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.145 12.487 3.444 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.036 14.263 3.411 1.00 0.00 H new ATOM 509 N LYS A 31 -2.143 14.141 -0.886 1.00 0.00 N ATOM 510 CA LYS A 31 -2.896 14.114 -2.154 1.00 0.00 C ATOM 511 C LYS A 31 -2.107 13.403 -3.279 1.00 0.00 C ATOM 512 O LYS A 31 -2.690 12.687 -4.091 1.00 0.00 O ATOM 513 CB LYS A 31 -3.278 15.574 -2.454 1.00 0.00 C ATOM 514 CG LYS A 31 -3.802 15.915 -3.855 1.00 0.00 C ATOM 515 CD LYS A 31 -2.616 16.043 -4.813 1.00 0.00 C ATOM 516 CE LYS A 31 -2.827 17.073 -5.912 1.00 0.00 C ATOM 517 NZ LYS A 31 -1.520 17.694 -6.150 1.00 0.00 N ATOM 0 H LYS A 31 -1.946 15.084 -0.550 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.805 13.517 -2.081 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.038 15.874 -1.733 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.400 16.193 -2.268 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.484 15.138 -4.201 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.367 16.847 -3.829 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.727 16.310 -4.242 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.422 15.072 -5.269 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.205 16.602 -6.819 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.563 17.819 -5.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.608 18.411 -6.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.186 18.145 -5.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.839 16.966 -6.446 1.00 0.00 H new ATOM 531 N GLY A 32 -0.778 13.580 -3.276 1.00 0.00 N ATOM 532 CA GLY A 32 0.141 12.985 -4.269 1.00 0.00 C ATOM 533 C GLY A 32 0.231 11.459 -4.131 1.00 0.00 C ATOM 534 O GLY A 32 -0.091 10.726 -5.064 1.00 0.00 O ATOM 0 H GLY A 32 -0.300 14.148 -2.576 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.198 13.238 -5.273 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.134 13.419 -4.149 1.00 0.00 H new ATOM 538 N MET A 33 0.481 11.009 -2.899 1.00 0.00 N ATOM 539 CA MET A 33 0.534 9.572 -2.557 1.00 0.00 C ATOM 540 C MET A 33 -0.753 8.832 -2.955 1.00 0.00 C ATOM 541 O MET A 33 -0.722 7.709 -3.450 1.00 0.00 O ATOM 542 CB MET A 33 0.791 9.384 -1.056 1.00 0.00 C ATOM 543 CG MET A 33 -0.424 9.393 -0.122 1.00 0.00 C ATOM 544 SD MET A 33 -0.093 8.634 1.501 1.00 0.00 S ATOM 545 CE MET A 33 0.706 10.047 2.209 1.00 0.00 C ATOM 0 H MET A 33 0.653 11.625 -2.105 1.00 0.00 H new ATOM 0 HA MET A 33 1.358 9.142 -3.127 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.312 8.436 -0.920 1.00 0.00 H new ATOM 0 HB3 MET A 33 1.471 10.171 -0.730 1.00 0.00 H new ATOM 0 HG2 MET A 33 -0.752 10.422 0.026 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.246 8.863 -0.602 1.00 0.00 H new ATOM 0 HE1 MET A 33 0.659 9.985 3.296 1.00 0.00 H new ATOM 0 HE2 MET A 33 1.749 10.072 1.892 1.00 0.00 H new ATOM 0 HE3 MET A 33 0.203 10.955 1.875 1.00 0.00 H new ATOM 555 N PHE A 34 -1.848 9.579 -2.846 1.00 0.00 N ATOM 556 CA PHE A 34 -3.207 9.139 -3.157 1.00 0.00 C ATOM 557 C PHE A 34 -3.376 8.790 -4.637 1.00 0.00 C ATOM 558 O PHE A 34 -4.233 7.980 -4.957 1.00 0.00 O ATOM 559 CB PHE A 34 -4.158 10.262 -2.751 1.00 0.00 C ATOM 560 CG PHE A 34 -5.241 9.746 -1.819 1.00 0.00 C ATOM 561 CD1 PHE A 34 -4.916 9.137 -0.607 1.00 0.00 C ATOM 562 CD2 PHE A 34 -6.574 9.870 -2.202 1.00 0.00 C ATOM 563 CE1 PHE A 34 -5.914 8.641 0.206 1.00 0.00 C ATOM 564 CE2 PHE A 34 -7.573 9.376 -1.388 1.00 0.00 C ATOM 565 CZ PHE A 34 -7.248 8.745 -0.191 1.00 0.00 C ATOM 0 H PHE A 34 -1.813 10.547 -2.526 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.429 8.226 -2.605 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.598 11.058 -2.259 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.615 10.696 -3.640 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.882 9.054 -0.305 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.826 10.352 -3.135 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.664 8.174 1.147 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.608 9.479 -1.680 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.029 8.335 0.432 1.00 0.00 H new ATOM 575 N GLU A 35 -2.489 9.298 -5.485 1.00 0.00 N ATOM 576 CA GLU A 35 -2.446 8.986 -6.923 1.00 0.00 C ATOM 577 C GLU A 35 -1.651 7.704 -7.242 1.00 0.00 C ATOM 578 O GLU A 35 -1.979 7.021 -8.206 1.00 0.00 O ATOM 579 CB GLU A 35 -1.891 10.203 -7.665 1.00 0.00 C ATOM 580 CG GLU A 35 -2.034 10.072 -9.183 1.00 0.00 C ATOM 581 CD GLU A 35 -1.638 11.367 -9.891 1.00 0.00 C ATOM 582 OE1 GLU A 35 -0.425 11.675 -9.881 1.00 0.00 O ATOM 583 OE2 GLU A 35 -2.562 12.030 -10.408 1.00 0.00 O ATOM 0 H GLU A 35 -1.762 9.952 -5.194 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.460 8.776 -7.263 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.412 11.099 -7.329 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.839 10.332 -7.411 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.409 9.254 -9.540 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.064 9.819 -9.433 1.00 0.00 H new ATOM 590 N VAL A 36 -0.661 7.362 -6.418 1.00 0.00 N ATOM 591 CA VAL A 36 0.112 6.111 -6.600 1.00 0.00 C ATOM 592 C VAL A 36 -0.467 4.943 -5.765 1.00 0.00 C ATOM 593 O VAL A 36 -0.412 3.783 -6.167 1.00 0.00 O ATOM 594 CB VAL A 36 1.616 6.388 -6.396 1.00 0.00 C ATOM 595 CG1 VAL A 36 2.038 6.481 -4.935 1.00 0.00 C ATOM 596 CG2 VAL A 36 2.490 5.391 -7.156 1.00 0.00 C ATOM 0 H VAL A 36 -0.368 7.924 -5.618 1.00 0.00 H new ATOM 0 HA VAL A 36 0.010 5.763 -7.628 1.00 0.00 H new ATOM 0 HB VAL A 36 1.778 7.379 -6.820 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.109 6.677 -4.877 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.494 7.291 -4.450 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.814 5.541 -4.431 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.541 5.623 -6.984 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.280 4.381 -6.805 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.274 5.457 -8.222 1.00 0.00 H new ATOM 606 N LEU A 37 -1.165 5.309 -4.690 1.00 0.00 N ATOM 607 CA LEU A 37 -1.911 4.391 -3.814 1.00 0.00 C ATOM 608 C LEU A 37 -3.371 4.186 -4.244 1.00 0.00 C ATOM 609 O LEU A 37 -3.938 3.133 -3.962 1.00 0.00 O ATOM 610 CB LEU A 37 -1.804 4.845 -2.349 1.00 0.00 C ATOM 611 CG LEU A 37 -1.023 3.887 -1.429 1.00 0.00 C ATOM 612 CD1 LEU A 37 -1.779 2.579 -1.196 1.00 0.00 C ATOM 613 CD2 LEU A 37 0.365 3.563 -1.979 1.00 0.00 C ATOM 0 H LEU A 37 -1.232 6.282 -4.391 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.444 3.411 -3.911 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.325 5.824 -2.321 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.810 4.971 -1.948 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.913 4.413 -0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.194 1.932 -0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.740 2.793 -0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.942 2.078 -2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.878 2.885 -1.297 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.268 3.090 -2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.941 4.483 -2.077 1.00 0.00 H new ATOM 625 N GLU A 38 -3.889 5.081 -5.091 1.00 0.00 N ATOM 626 CA GLU A 38 -5.187 4.892 -5.778 1.00 0.00 C ATOM 627 C GLU A 38 -5.177 3.587 -6.599 1.00 0.00 C ATOM 628 O GLU A 38 -5.932 2.677 -6.241 1.00 0.00 O ATOM 629 CB GLU A 38 -5.590 6.124 -6.619 1.00 0.00 C ATOM 630 CG GLU A 38 -6.512 5.860 -7.818 1.00 0.00 C ATOM 631 CD GLU A 38 -6.855 7.081 -8.676 1.00 0.00 C ATOM 632 OE1 GLU A 38 -6.130 8.099 -8.612 1.00 0.00 O ATOM 633 OE2 GLU A 38 -7.861 6.942 -9.402 1.00 0.00 O ATOM 0 H GLU A 38 -3.426 5.959 -5.325 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.961 4.794 -5.016 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.082 6.841 -5.961 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.680 6.600 -6.986 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.042 5.112 -8.456 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.441 5.426 -7.449 1.00 0.00 H new ATOM 640 N PRO A 39 -4.318 3.449 -7.627 1.00 0.00 N ATOM 641 CA PRO A 39 -4.311 2.236 -8.445 1.00 0.00 C ATOM 642 C PRO A 39 -3.744 1.064 -7.641 1.00 0.00 C ATOM 643 O PRO A 39 -4.299 -0.010 -7.762 1.00 0.00 O ATOM 644 CB PRO A 39 -3.513 2.590 -9.697 1.00 0.00 C ATOM 645 CG PRO A 39 -2.473 3.582 -9.185 1.00 0.00 C ATOM 646 CD PRO A 39 -3.190 4.310 -8.046 1.00 0.00 C ATOM 0 HA PRO A 39 -5.307 1.905 -8.741 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.046 1.710 -10.138 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -4.147 3.033 -10.465 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.576 3.074 -8.832 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -2.161 4.274 -9.968 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.510 4.488 -7.213 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -3.550 5.284 -8.377 1.00 0.00 H new ATOM 654 N LEU A 40 -2.907 1.322 -6.635 1.00 0.00 N ATOM 655 CA LEU A 40 -2.413 0.259 -5.743 1.00 0.00 C ATOM 656 C LEU A 40 -3.457 -0.371 -4.813 1.00 0.00 C ATOM 657 O LEU A 40 -3.304 -1.512 -4.390 1.00 0.00 O ATOM 658 CB LEU A 40 -1.214 0.754 -4.950 1.00 0.00 C ATOM 659 CG LEU A 40 0.077 0.357 -5.661 1.00 0.00 C ATOM 660 CD1 LEU A 40 1.207 1.081 -4.959 1.00 0.00 C ATOM 661 CD2 LEU A 40 0.328 -1.154 -5.611 1.00 0.00 C ATOM 0 H LEU A 40 -2.555 2.253 -6.414 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.123 -0.553 -6.410 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.261 1.837 -4.841 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.231 0.331 -3.945 1.00 0.00 H new ATOM 0 HG LEU A 40 0.007 0.628 -6.714 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.154 0.826 -5.435 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.046 2.157 -5.024 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.236 0.781 -3.911 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.258 -1.386 -6.130 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.402 -1.476 -4.572 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.498 -1.676 -6.095 1.00 0.00 H new ATOM 673 N HIS A 41 -4.501 0.396 -4.523 1.00 0.00 N ATOM 674 CA HIS A 41 -5.705 -0.084 -3.820 1.00 0.00 C ATOM 675 C HIS A 41 -6.606 -0.935 -4.741 1.00 0.00 C ATOM 676 O HIS A 41 -7.099 -1.984 -4.338 1.00 0.00 O ATOM 677 CB HIS A 41 -6.408 1.155 -3.256 1.00 0.00 C ATOM 678 CG HIS A 41 -7.855 0.971 -2.760 1.00 0.00 C ATOM 679 ND1 HIS A 41 -8.800 1.872 -2.970 1.00 0.00 N ATOM 680 CD2 HIS A 41 -8.410 -0.095 -2.199 1.00 0.00 C ATOM 681 CE1 HIS A 41 -9.962 1.345 -2.568 1.00 0.00 C ATOM 682 NE2 HIS A 41 -9.719 0.131 -2.092 1.00 0.00 N ATOM 0 H HIS A 41 -4.545 1.385 -4.769 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.444 -0.758 -3.004 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -5.811 1.536 -2.427 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -6.409 1.925 -4.028 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -7.892 -0.989 -1.884 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -10.928 1.824 -2.622 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -10.411 -0.515 -1.712 1.00 0.00 H new ATOM 690 N ALA A 42 -6.742 -0.521 -5.998 1.00 0.00 N ATOM 691 CA ALA A 42 -7.566 -1.244 -6.994 1.00 0.00 C ATOM 692 C ALA A 42 -6.853 -2.469 -7.593 1.00 0.00 C ATOM 693 O ALA A 42 -7.372 -3.585 -7.541 1.00 0.00 O ATOM 694 CB ALA A 42 -8.008 -0.278 -8.094 1.00 0.00 C ATOM 0 H ALA A 42 -6.292 0.318 -6.365 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.441 -1.632 -6.472 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.614 -0.812 -8.826 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.596 0.528 -7.655 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.130 0.139 -8.586 1.00 0.00 H new ATOM 700 N MET A 43 -5.578 -2.275 -7.913 1.00 0.00 N ATOM 701 CA MET A 43 -4.627 -3.308 -8.350 1.00 0.00 C ATOM 702 C MET A 43 -4.331 -4.329 -7.249 1.00 0.00 C ATOM 703 O MET A 43 -3.476 -5.154 -7.460 1.00 0.00 O ATOM 704 CB MET A 43 -3.289 -2.681 -8.762 1.00 0.00 C ATOM 705 CG MET A 43 -3.338 -1.995 -10.125 1.00 0.00 C ATOM 706 SD MET A 43 -2.007 -0.752 -10.282 1.00 0.00 S ATOM 707 CE MET A 43 -1.386 -1.168 -11.896 1.00 0.00 C ATOM 0 H MET A 43 -5.152 -1.349 -7.875 1.00 0.00 H new ATOM 0 HA MET A 43 -5.100 -3.809 -9.194 1.00 0.00 H new ATOM 0 HB2 MET A 43 -2.989 -1.954 -8.008 1.00 0.00 H new ATOM 0 HB3 MET A 43 -2.523 -3.456 -8.780 1.00 0.00 H new ATOM 0 HG2 MET A 43 -3.240 -2.740 -10.915 1.00 0.00 H new ATOM 0 HG3 MET A 43 -4.307 -1.514 -10.259 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.562 -0.501 -12.152 1.00 0.00 H new ATOM 0 HE2 MET A 43 -1.032 -2.199 -11.895 1.00 0.00 H new ATOM 0 HE3 MET A 43 -2.183 -1.059 -12.632 1.00 0.00 H new ATOM 717 N MET A 44 -4.854 -4.148 -6.037 1.00 0.00 N ATOM 718 CA MET A 44 -4.710 -5.160 -4.973 1.00 0.00 C ATOM 719 C MET A 44 -6.031 -5.897 -4.690 1.00 0.00 C ATOM 720 O MET A 44 -6.034 -6.961 -4.074 1.00 0.00 O ATOM 721 CB MET A 44 -4.102 -4.510 -3.722 1.00 0.00 C ATOM 722 CG MET A 44 -5.072 -3.696 -2.859 1.00 0.00 C ATOM 723 SD MET A 44 -5.866 -4.681 -1.539 1.00 0.00 S ATOM 724 CE MET A 44 -4.444 -4.888 -0.492 1.00 0.00 C ATOM 0 H MET A 44 -5.379 -3.318 -5.761 1.00 0.00 H new ATOM 0 HA MET A 44 -4.022 -5.934 -5.314 1.00 0.00 H new ATOM 0 HB2 MET A 44 -3.664 -5.294 -3.104 1.00 0.00 H new ATOM 0 HB3 MET A 44 -3.286 -3.857 -4.034 1.00 0.00 H new ATOM 0 HG2 MET A 44 -4.534 -2.863 -2.407 1.00 0.00 H new ATOM 0 HG3 MET A 44 -5.844 -3.268 -3.498 1.00 0.00 H new ATOM 0 HE1 MET A 44 -4.460 -5.884 -0.049 1.00 0.00 H new ATOM 0 HE2 MET A 44 -3.536 -4.769 -1.084 1.00 0.00 H new ATOM 0 HE3 MET A 44 -4.462 -4.138 0.299 1.00 0.00 H new ATOM 734 N GLU A 45 -7.126 -5.294 -5.151 1.00 0.00 N ATOM 735 CA GLU A 45 -8.494 -5.804 -4.973 1.00 0.00 C ATOM 736 C GLU A 45 -8.992 -6.592 -6.195 1.00 0.00 C ATOM 737 O GLU A 45 -9.712 -7.567 -5.996 1.00 0.00 O ATOM 738 CB GLU A 45 -9.422 -4.629 -4.645 1.00 0.00 C ATOM 739 CG GLU A 45 -10.748 -5.082 -4.015 1.00 0.00 C ATOM 740 CD GLU A 45 -11.916 -5.223 -5.000 1.00 0.00 C ATOM 741 OE1 GLU A 45 -12.022 -4.359 -5.901 1.00 0.00 O ATOM 742 OE2 GLU A 45 -12.733 -6.142 -4.780 1.00 0.00 O ATOM 0 H GLU A 45 -7.091 -4.417 -5.671 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.495 -6.513 -4.145 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.913 -3.949 -3.962 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.630 -4.069 -5.557 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.590 -6.041 -3.521 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.029 -4.368 -3.241 1.00 0.00 H new ATOM 749 N ARG A 46 -8.558 -6.212 -7.404 1.00 0.00 N ATOM 750 CA ARG A 46 -8.853 -6.942 -8.662 1.00 0.00 C ATOM 751 C ARG A 46 -8.701 -8.470 -8.512 1.00 0.00 C ATOM 752 O ARG A 46 -9.497 -9.235 -9.051 1.00 0.00 O ATOM 753 CB ARG A 46 -7.923 -6.443 -9.779 1.00 0.00 C ATOM 754 CG ARG A 46 -8.335 -6.969 -11.162 1.00 0.00 C ATOM 755 CD ARG A 46 -9.561 -6.239 -11.719 1.00 0.00 C ATOM 756 NE ARG A 46 -9.108 -5.056 -12.469 1.00 0.00 N ATOM 757 CZ ARG A 46 -9.782 -3.920 -12.671 1.00 0.00 C ATOM 758 NH1 ARG A 46 -10.964 -3.692 -12.115 1.00 0.00 N ATOM 759 NH2 ARG A 46 -9.251 -2.969 -13.425 1.00 0.00 N ATOM 0 H ARG A 46 -7.985 -5.380 -7.547 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.894 -6.741 -8.914 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.927 -5.353 -9.792 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.901 -6.755 -9.564 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.501 -6.855 -11.855 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.550 -8.035 -11.094 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.132 -6.902 -12.369 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.224 -5.940 -10.907 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.176 -5.109 -12.880 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.388 -4.396 -11.510 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.450 -2.813 -12.292 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.333 -3.106 -13.847 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.760 -2.100 -13.583 1.00 0.00 H new ATOM 773 N GLY A 47 -7.711 -8.855 -7.694 1.00 0.00 N ATOM 774 CA GLY A 47 -7.465 -10.265 -7.369 1.00 0.00 C ATOM 775 C GLY A 47 -6.241 -10.813 -8.115 1.00 0.00 C ATOM 776 O GLY A 47 -5.895 -10.300 -9.184 1.00 0.00 O ATOM 0 H GLY A 47 -7.066 -8.206 -7.244 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.314 -10.370 -6.295 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.343 -10.857 -7.627 1.00 0.00 H new ATOM 780 N PRO A 48 -5.544 -11.789 -7.520 1.00 0.00 N ATOM 781 CA PRO A 48 -4.431 -12.470 -8.195 1.00 0.00 C ATOM 782 C PRO A 48 -4.925 -13.339 -9.358 1.00 0.00 C ATOM 783 O PRO A 48 -6.053 -13.219 -9.830 1.00 0.00 O ATOM 784 CB PRO A 48 -3.722 -13.254 -7.084 1.00 0.00 C ATOM 785 CG PRO A 48 -4.834 -13.554 -6.084 1.00 0.00 C ATOM 786 CD PRO A 48 -5.723 -12.312 -6.147 1.00 0.00 C ATOM 0 HA PRO A 48 -3.737 -11.779 -8.674 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.270 -14.169 -7.466 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.922 -12.669 -6.629 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -5.385 -14.455 -6.356 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.438 -13.713 -5.081 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.766 -12.562 -5.951 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -5.426 -11.575 -5.401 1.00 0.00 H new ATOM 794 N GLN A 49 -3.996 -14.133 -9.862 1.00 0.00 N ATOM 795 CA GLN A 49 -4.227 -15.057 -10.989 1.00 0.00 C ATOM 796 C GLN A 49 -3.637 -16.453 -10.732 1.00 0.00 C ATOM 797 O GLN A 49 -4.360 -17.439 -10.648 1.00 0.00 O ATOM 798 CB GLN A 49 -3.726 -14.402 -12.289 1.00 0.00 C ATOM 799 CG GLN A 49 -2.287 -13.877 -12.184 1.00 0.00 C ATOM 800 CD GLN A 49 -1.993 -12.693 -13.099 1.00 0.00 C ATOM 801 OE1 GLN A 49 -2.813 -11.826 -13.369 1.00 0.00 O ATOM 802 NE2 GLN A 49 -0.748 -12.568 -13.487 1.00 0.00 N ATOM 0 H GLN A 49 -3.042 -14.164 -9.503 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.297 -15.234 -11.096 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.783 -15.128 -13.100 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.389 -13.578 -12.552 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.092 -13.584 -11.152 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.597 -14.687 -12.421 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.068 -13.293 -13.260 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.459 -11.745 -14.016 1.00 0.00 H new ATOM 811 N THR A 50 -2.322 -16.464 -10.530 1.00 0.00 N ATOM 812 CA THR A 50 -1.515 -17.663 -10.224 1.00 0.00 C ATOM 813 C THR A 50 -1.778 -18.129 -8.778 1.00 0.00 C ATOM 814 O THR A 50 -2.869 -18.592 -8.459 1.00 0.00 O ATOM 815 CB THR A 50 -0.022 -17.449 -10.610 1.00 0.00 C ATOM 816 OG1 THR A 50 0.796 -18.483 -10.049 1.00 0.00 O ATOM 817 CG2 THR A 50 0.562 -16.076 -10.241 1.00 0.00 C ATOM 0 H THR A 50 -1.761 -15.614 -10.574 1.00 0.00 H new ATOM 0 HA THR A 50 -1.828 -18.500 -10.848 1.00 0.00 H new ATOM 0 HB THR A 50 -0.012 -17.491 -11.699 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.731 -18.334 -10.303 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.606 -16.029 -10.552 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.003 -15.293 -10.746 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.498 -15.931 -9.163 1.00 0.00 H new ATOM 825 N LEU A 51 -0.829 -17.819 -7.896 1.00 0.00 N ATOM 826 CA LEU A 51 -0.818 -18.163 -6.459 1.00 0.00 C ATOM 827 C LEU A 51 0.488 -17.665 -5.803 1.00 0.00 C ATOM 828 O LEU A 51 1.121 -18.315 -4.975 1.00 0.00 O ATOM 829 CB LEU A 51 -0.951 -19.687 -6.309 1.00 0.00 C ATOM 830 CG LEU A 51 -1.961 -20.050 -5.220 1.00 0.00 C ATOM 831 CD1 LEU A 51 -2.538 -21.434 -5.513 1.00 0.00 C ATOM 832 CD2 LEU A 51 -1.307 -20.053 -3.836 1.00 0.00 C ATOM 0 H LEU A 51 0.001 -17.293 -8.171 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.655 -17.677 -5.958 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.264 -20.122 -7.258 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.020 -20.117 -6.065 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.754 -19.302 -5.220 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.259 -21.699 -4.740 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.034 -21.423 -6.484 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.733 -22.169 -5.525 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.050 -20.315 -3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.499 -20.784 -3.817 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.906 -19.063 -3.621 1.00 0.00 H new ATOM 844 N LYS A 52 0.923 -16.501 -6.272 1.00 0.00 N ATOM 845 CA LYS A 52 2.189 -15.888 -5.820 1.00 0.00 C ATOM 846 C LYS A 52 1.961 -14.479 -5.256 1.00 0.00 C ATOM 847 O LYS A 52 2.452 -14.122 -4.186 1.00 0.00 O ATOM 848 CB LYS A 52 3.225 -15.872 -6.952 1.00 0.00 C ATOM 849 CG LYS A 52 3.414 -17.235 -7.628 1.00 0.00 C ATOM 850 CD LYS A 52 4.817 -17.455 -8.193 1.00 0.00 C ATOM 851 CE LYS A 52 5.809 -17.735 -7.063 1.00 0.00 C ATOM 852 NZ LYS A 52 7.023 -18.379 -7.578 1.00 0.00 N ATOM 0 H LYS A 52 0.421 -15.952 -6.970 1.00 0.00 H new ATOM 0 HA LYS A 52 2.584 -16.502 -5.011 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.920 -15.142 -7.702 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.183 -15.538 -6.553 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.196 -18.022 -6.906 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.688 -17.333 -8.435 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.807 -18.291 -8.892 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.133 -16.575 -8.753 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.071 -16.802 -6.565 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.342 -18.376 -6.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.681 -18.559 -6.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.772 -19.280 -8.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.478 -17.755 -8.275 1.00 0.00 H new ATOM 866 N GLU A 53 1.065 -13.739 -5.908 1.00 0.00 N ATOM 867 CA GLU A 53 0.615 -12.420 -5.436 1.00 0.00 C ATOM 868 C GLU A 53 -0.480 -12.610 -4.367 1.00 0.00 C ATOM 869 O GLU A 53 -1.641 -12.283 -4.565 1.00 0.00 O ATOM 870 CB GLU A 53 0.188 -11.632 -6.682 1.00 0.00 C ATOM 871 CG GLU A 53 -0.410 -10.254 -6.395 1.00 0.00 C ATOM 872 CD GLU A 53 -1.939 -10.318 -6.438 1.00 0.00 C ATOM 873 OE1 GLU A 53 -2.430 -10.468 -7.572 1.00 0.00 O ATOM 874 OE2 GLU A 53 -2.574 -10.096 -5.381 1.00 0.00 O ATOM 0 H GLU A 53 0.627 -14.033 -6.781 1.00 0.00 H new ATOM 0 HA GLU A 53 1.393 -11.843 -4.935 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.055 -11.508 -7.331 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.543 -12.222 -7.235 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.081 -9.904 -5.416 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.049 -9.533 -7.129 1.00 0.00 H new ATOM 881 N THR A 54 -0.101 -13.225 -3.256 1.00 0.00 N ATOM 882 CA THR A 54 -0.988 -13.492 -2.092 1.00 0.00 C ATOM 883 C THR A 54 -0.129 -13.738 -0.830 1.00 0.00 C ATOM 884 O THR A 54 -0.483 -14.443 0.108 1.00 0.00 O ATOM 885 CB THR A 54 -2.044 -14.582 -2.439 1.00 0.00 C ATOM 886 OG1 THR A 54 -3.006 -14.018 -3.331 1.00 0.00 O ATOM 887 CG2 THR A 54 -2.890 -15.152 -1.297 1.00 0.00 C ATOM 0 H THR A 54 0.850 -13.567 -3.118 1.00 0.00 H new ATOM 0 HA THR A 54 -1.595 -12.620 -1.849 1.00 0.00 H new ATOM 0 HB THR A 54 -1.428 -15.394 -2.826 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.697 -13.138 -3.631 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.579 -15.899 -1.692 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.237 -15.615 -0.557 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.457 -14.348 -0.828 1.00 0.00 H new ATOM 895 N SER A 55 0.944 -12.956 -0.736 1.00 0.00 N ATOM 896 CA SER A 55 1.851 -12.980 0.435 1.00 0.00 C ATOM 897 C SER A 55 1.886 -11.641 1.190 1.00 0.00 C ATOM 898 O SER A 55 2.754 -11.379 2.017 1.00 0.00 O ATOM 899 CB SER A 55 3.266 -13.380 0.006 1.00 0.00 C ATOM 900 OG SER A 55 3.547 -14.676 0.534 1.00 0.00 O ATOM 0 H SER A 55 1.218 -12.289 -1.457 1.00 0.00 H new ATOM 0 HA SER A 55 1.453 -13.725 1.124 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.345 -13.388 -1.081 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.993 -12.655 0.373 1.00 0.00 H new ATOM 0 HG SER A 55 4.450 -14.949 0.267 1.00 0.00 H new ATOM 906 N PHE A 56 0.858 -10.836 0.935 1.00 0.00 N ATOM 907 CA PHE A 56 0.726 -9.467 1.470 1.00 0.00 C ATOM 908 C PHE A 56 -0.656 -9.218 2.095 1.00 0.00 C ATOM 909 O PHE A 56 -0.776 -8.936 3.282 1.00 0.00 O ATOM 910 CB PHE A 56 1.054 -8.455 0.356 1.00 0.00 C ATOM 911 CG PHE A 56 0.051 -8.391 -0.789 1.00 0.00 C ATOM 912 CD1 PHE A 56 -0.009 -9.416 -1.724 1.00 0.00 C ATOM 913 CD2 PHE A 56 -0.874 -7.346 -0.837 1.00 0.00 C ATOM 914 CE1 PHE A 56 -0.980 -9.403 -2.700 1.00 0.00 C ATOM 915 CE2 PHE A 56 -1.838 -7.332 -1.826 1.00 0.00 C ATOM 916 CZ PHE A 56 -1.902 -8.355 -2.762 1.00 0.00 C ATOM 0 H PHE A 56 0.076 -11.113 0.342 1.00 0.00 H new ATOM 0 HA PHE A 56 1.440 -9.337 2.283 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.134 -7.464 0.802 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.033 -8.699 -0.055 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.707 -10.224 -1.686 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.836 -6.553 -0.105 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.029 -10.206 -3.421 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.547 -6.519 -1.871 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.659 -8.341 -3.532 1.00 0.00 H new ATOM 926 N ASN A 57 -1.676 -9.531 1.302 1.00 0.00 N ATOM 927 CA ASN A 57 -3.101 -9.515 1.686 1.00 0.00 C ATOM 928 C ASN A 57 -3.476 -10.692 2.603 1.00 0.00 C ATOM 929 O ASN A 57 -4.396 -10.585 3.406 1.00 0.00 O ATOM 930 CB ASN A 57 -3.960 -9.518 0.412 1.00 0.00 C ATOM 931 CG ASN A 57 -3.729 -10.736 -0.490 1.00 0.00 C ATOM 932 OD1 ASN A 57 -2.602 -11.137 -0.794 1.00 0.00 O ATOM 933 ND2 ASN A 57 -4.799 -11.402 -0.840 1.00 0.00 N ATOM 0 H ASN A 57 -1.537 -9.816 0.333 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.291 -8.609 2.261 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.012 -9.482 0.695 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.752 -8.612 -0.157 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.710 -12.267 -1.373 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.723 -11.056 -0.580 1.00 0.00 H new ATOM 940 N GLN A 58 -2.765 -11.810 2.433 1.00 0.00 N ATOM 941 CA GLN A 58 -2.942 -13.008 3.272 1.00 0.00 C ATOM 942 C GLN A 58 -2.076 -13.025 4.540 1.00 0.00 C ATOM 943 O GLN A 58 -2.453 -13.585 5.563 1.00 0.00 O ATOM 944 CB GLN A 58 -2.689 -14.277 2.456 1.00 0.00 C ATOM 945 CG GLN A 58 -3.930 -15.175 2.471 1.00 0.00 C ATOM 946 CD GLN A 58 -4.281 -15.672 3.878 1.00 0.00 C ATOM 947 OE1 GLN A 58 -4.808 -14.962 4.723 1.00 0.00 O ATOM 948 NE2 GLN A 58 -4.038 -16.934 4.139 1.00 0.00 N ATOM 0 H GLN A 58 -2.051 -11.915 1.712 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.978 -12.975 3.610 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.435 -14.013 1.429 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.836 -14.817 2.866 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.777 -14.624 2.062 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.762 -16.032 1.818 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.598 -17.525 3.434 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.289 -17.324 5.047 1.00 0.00 H new ATOM 957 N ALA A 59 -0.932 -12.356 4.458 1.00 0.00 N ATOM 958 CA ALA A 59 -0.023 -12.227 5.609 1.00 0.00 C ATOM 959 C ALA A 59 -0.453 -11.068 6.524 1.00 0.00 C ATOM 960 O ALA A 59 -0.347 -11.151 7.744 1.00 0.00 O ATOM 961 CB ALA A 59 1.404 -12.052 5.089 1.00 0.00 C ATOM 0 H ALA A 59 -0.605 -11.892 3.611 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.065 -13.130 6.218 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.089 -11.955 5.931 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.683 -12.921 4.493 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.459 -11.155 4.472 1.00 0.00 H new ATOM 967 N TYR A 60 -1.040 -10.038 5.910 1.00 0.00 N ATOM 968 CA TYR A 60 -1.453 -8.811 6.607 1.00 0.00 C ATOM 969 C TYR A 60 -2.676 -8.206 5.891 1.00 0.00 C ATOM 970 O TYR A 60 -2.605 -7.161 5.248 1.00 0.00 O ATOM 971 CB TYR A 60 -0.278 -7.812 6.617 1.00 0.00 C ATOM 972 CG TYR A 60 1.128 -8.396 6.750 1.00 0.00 C ATOM 973 CD1 TYR A 60 1.599 -8.810 7.987 1.00 0.00 C ATOM 974 CD2 TYR A 60 1.896 -8.616 5.607 1.00 0.00 C ATOM 975 CE1 TYR A 60 2.824 -9.443 8.089 1.00 0.00 C ATOM 976 CE2 TYR A 60 3.125 -9.239 5.705 1.00 0.00 C ATOM 977 CZ TYR A 60 3.588 -9.668 6.946 1.00 0.00 C ATOM 978 OH TYR A 60 4.783 -10.294 7.041 1.00 0.00 O ATOM 0 H TYR A 60 -1.244 -10.029 4.911 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.728 -9.038 7.637 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -0.318 -7.232 5.695 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.434 -7.114 7.439 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.007 -8.637 8.874 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.529 -8.298 4.642 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.188 -9.763 9.054 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.726 -9.393 4.821 1.00 0.00 H new ATOM 0 HH TYR A 60 5.184 -10.371 6.150 1.00 0.00 H new ATOM 988 N GLY A 61 -3.847 -8.805 6.143 1.00 0.00 N ATOM 989 CA GLY A 61 -5.143 -8.314 5.608 1.00 0.00 C ATOM 990 C GLY A 61 -5.542 -6.930 6.155 1.00 0.00 C ATOM 991 O GLY A 61 -6.380 -6.222 5.603 1.00 0.00 O ATOM 0 H GLY A 61 -3.933 -9.641 6.720 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.084 -8.264 4.521 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.925 -9.033 5.852 1.00 0.00 H new ATOM 995 N ARG A 62 -4.935 -6.597 7.290 1.00 0.00 N ATOM 996 CA ARG A 62 -5.136 -5.325 8.007 1.00 0.00 C ATOM 997 C ARG A 62 -4.108 -4.233 7.660 1.00 0.00 C ATOM 998 O ARG A 62 -4.245 -3.102 8.122 1.00 0.00 O ATOM 999 CB ARG A 62 -5.132 -5.598 9.516 1.00 0.00 C ATOM 1000 CG ARG A 62 -3.745 -5.930 10.068 1.00 0.00 C ATOM 1001 CD ARG A 62 -3.830 -6.273 11.552 1.00 0.00 C ATOM 1002 NE ARG A 62 -3.361 -7.655 11.725 1.00 0.00 N ATOM 1003 CZ ARG A 62 -2.090 -8.073 11.721 1.00 0.00 C ATOM 1004 NH1 ARG A 62 -1.070 -7.237 11.571 1.00 0.00 N ATOM 1005 NH2 ARG A 62 -1.824 -9.358 11.878 1.00 0.00 N ATOM 0 H ARG A 62 -4.271 -7.215 7.756 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.098 -4.929 7.682 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.523 -4.724 10.037 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.808 -6.426 9.730 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.319 -6.770 9.518 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.076 -5.082 9.922 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.218 -5.587 12.138 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.855 -6.171 11.909 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.077 -8.368 11.862 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.242 -6.238 11.454 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.114 -7.593 11.573 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.586 -10.025 12.001 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.857 -9.683 11.876 1.00 0.00 H new ATOM 1019 N ASP A 63 -3.064 -4.613 6.916 1.00 0.00 N ATOM 1020 CA ASP A 63 -1.941 -3.726 6.539 1.00 0.00 C ATOM 1021 C ASP A 63 -2.417 -2.528 5.693 1.00 0.00 C ATOM 1022 O ASP A 63 -3.529 -2.032 5.866 1.00 0.00 O ATOM 1023 CB ASP A 63 -0.873 -4.581 5.831 1.00 0.00 C ATOM 1024 CG ASP A 63 -1.131 -5.060 4.387 1.00 0.00 C ATOM 1025 OD1 ASP A 63 -2.268 -4.866 3.898 1.00 0.00 O ATOM 1026 OD2 ASP A 63 -0.137 -5.423 3.726 1.00 0.00 O ATOM 0 H ASP A 63 -2.967 -5.560 6.549 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.499 -3.280 7.430 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.055 -4.010 5.827 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.700 -5.465 6.445 1.00 0.00 H new ATOM 1031 N LEU A 64 -1.610 -2.126 4.708 1.00 0.00 N ATOM 1032 CA LEU A 64 -2.020 -1.224 3.616 1.00 0.00 C ATOM 1033 C LEU A 64 -3.470 -1.438 3.121 1.00 0.00 C ATOM 1034 O LEU A 64 -4.193 -0.463 2.976 1.00 0.00 O ATOM 1035 CB LEU A 64 -0.993 -1.332 2.478 1.00 0.00 C ATOM 1036 CG LEU A 64 -1.051 -2.641 1.684 1.00 0.00 C ATOM 1037 CD1 LEU A 64 -2.001 -2.488 0.502 1.00 0.00 C ATOM 1038 CD2 LEU A 64 0.335 -3.074 1.217 1.00 0.00 C ATOM 0 H LEU A 64 -0.636 -2.420 4.641 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.031 -0.209 4.012 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.144 -0.499 1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.007 -1.222 2.898 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.428 -3.424 2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.038 -3.422 -0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.999 -2.244 0.866 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.647 -1.688 -0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.256 -4.006 0.657 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.761 -2.301 0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.980 -3.224 2.083 1.00 0.00 H new ATOM 1050 N MET A 65 -3.932 -2.694 3.120 1.00 0.00 N ATOM 1051 CA MET A 65 -5.303 -3.094 2.749 1.00 0.00 C ATOM 1052 C MET A 65 -6.357 -2.256 3.492 1.00 0.00 C ATOM 1053 O MET A 65 -7.037 -1.453 2.862 1.00 0.00 O ATOM 1054 CB MET A 65 -5.445 -4.588 3.054 1.00 0.00 C ATOM 1055 CG MET A 65 -6.700 -5.199 2.429 1.00 0.00 C ATOM 1056 SD MET A 65 -6.612 -7.024 2.392 1.00 0.00 S ATOM 1057 CE MET A 65 -8.117 -7.367 1.509 1.00 0.00 C ATOM 0 H MET A 65 -3.348 -3.487 3.385 1.00 0.00 H new ATOM 0 HA MET A 65 -5.475 -2.913 1.688 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.566 -5.116 2.684 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.474 -4.734 4.134 1.00 0.00 H new ATOM 0 HG2 MET A 65 -7.578 -4.888 2.995 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.824 -4.819 1.415 1.00 0.00 H new ATOM 0 HE1 MET A 65 -8.232 -8.444 1.391 1.00 0.00 H new ATOM 0 HE2 MET A 65 -8.965 -6.970 2.067 1.00 0.00 H new ATOM 0 HE3 MET A 65 -8.078 -6.897 0.527 1.00 0.00 H new ATOM 1067 N GLU A 66 -6.233 -2.216 4.817 1.00 0.00 N ATOM 1068 CA GLU A 66 -7.083 -1.352 5.660 1.00 0.00 C ATOM 1069 C GLU A 66 -6.577 0.092 5.735 1.00 0.00 C ATOM 1070 O GLU A 66 -7.380 1.000 5.554 1.00 0.00 O ATOM 1071 CB GLU A 66 -7.301 -1.922 7.059 1.00 0.00 C ATOM 1072 CG GLU A 66 -8.152 -3.192 6.990 1.00 0.00 C ATOM 1073 CD GLU A 66 -8.666 -3.561 8.379 1.00 0.00 C ATOM 1074 OE1 GLU A 66 -7.885 -4.173 9.135 1.00 0.00 O ATOM 1075 OE2 GLU A 66 -9.825 -3.194 8.667 1.00 0.00 O ATOM 0 H GLU A 66 -5.553 -2.770 5.339 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.051 -1.332 5.160 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.340 -2.145 7.522 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.793 -1.180 7.688 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.992 -3.039 6.313 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.561 -4.013 6.584 1.00 0.00 H new ATOM 1082 N ALA A 67 -5.254 0.263 5.675 1.00 0.00 N ATOM 1083 CA ALA A 67 -4.597 1.589 5.652 1.00 0.00 C ATOM 1084 C ALA A 67 -5.075 2.491 4.495 1.00 0.00 C ATOM 1085 O ALA A 67 -5.018 3.712 4.594 1.00 0.00 O ATOM 1086 CB ALA A 67 -3.081 1.415 5.569 1.00 0.00 C ATOM 0 H ALA A 67 -4.596 -0.516 5.640 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.877 2.089 6.579 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.603 2.394 5.552 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.731 0.855 6.436 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.826 0.871 4.659 1.00 0.00 H new ATOM 1092 N GLN A 68 -5.565 1.855 3.433 1.00 0.00 N ATOM 1093 CA GLN A 68 -6.193 2.514 2.271 1.00 0.00 C ATOM 1094 C GLN A 68 -7.725 2.321 2.227 1.00 0.00 C ATOM 1095 O GLN A 68 -8.427 3.158 1.666 1.00 0.00 O ATOM 1096 CB GLN A 68 -5.539 1.995 0.981 1.00 0.00 C ATOM 1097 CG GLN A 68 -6.060 0.610 0.580 1.00 0.00 C ATOM 1098 CD GLN A 68 -5.052 -0.322 -0.070 1.00 0.00 C ATOM 1099 OE1 GLN A 68 -3.853 -0.075 -0.160 1.00 0.00 O ATOM 1100 NE2 GLN A 68 -5.558 -1.453 -0.490 1.00 0.00 N ATOM 0 H GLN A 68 -5.539 0.839 3.347 1.00 0.00 H new ATOM 0 HA GLN A 68 -6.027 3.587 2.366 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -5.728 2.700 0.172 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -4.459 1.949 1.117 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.454 0.121 1.471 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.896 0.744 -0.107 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -6.559 -1.628 -0.401 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -4.952 -2.160 -0.906 1.00 0.00 H new ATOM 1109 N GLU A 69 -8.218 1.203 2.778 1.00 0.00 N ATOM 1110 CA GLU A 69 -9.657 0.850 2.816 1.00 0.00 C ATOM 1111 C GLU A 69 -10.491 1.951 3.488 1.00 0.00 C ATOM 1112 O GLU A 69 -11.666 2.141 3.174 1.00 0.00 O ATOM 1113 CB GLU A 69 -9.878 -0.468 3.563 1.00 0.00 C ATOM 1114 CG GLU A 69 -11.277 -1.037 3.299 1.00 0.00 C ATOM 1115 CD GLU A 69 -11.271 -2.442 2.684 1.00 0.00 C ATOM 1116 OE1 GLU A 69 -10.310 -2.775 1.954 1.00 0.00 O ATOM 1117 OE2 GLU A 69 -12.256 -3.161 2.958 1.00 0.00 O ATOM 0 H GLU A 69 -7.623 0.502 3.219 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.983 0.742 1.782 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.125 -1.193 3.254 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.746 -0.307 4.633 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.830 -1.064 4.238 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.813 -0.362 2.632 1.00 0.00 H new ATOM 1124 N TRP A 70 -9.801 2.758 4.285 1.00 0.00 N ATOM 1125 CA TRP A 70 -10.356 3.961 4.911 1.00 0.00 C ATOM 1126 C TRP A 70 -10.431 5.100 3.871 1.00 0.00 C ATOM 1127 O TRP A 70 -10.231 6.265 4.192 1.00 0.00 O ATOM 1128 CB TRP A 70 -9.465 4.323 6.102 1.00 0.00 C ATOM 1129 CG TRP A 70 -9.172 3.200 7.114 1.00 0.00 C ATOM 1130 CD1 TRP A 70 -7.961 2.888 7.585 1.00 0.00 C ATOM 1131 CD2 TRP A 70 -10.051 2.240 7.568 1.00 0.00 C ATOM 1132 NE1 TRP A 70 -8.045 1.776 8.311 1.00 0.00 N ATOM 1133 CE2 TRP A 70 -9.288 1.325 8.307 1.00 0.00 C ATOM 1134 CE3 TRP A 70 -11.420 2.072 7.459 1.00 0.00 C ATOM 1135 CZ2 TRP A 70 -9.909 0.235 8.891 1.00 0.00 C ATOM 1136 CZ3 TRP A 70 -12.039 0.986 8.053 1.00 0.00 C ATOM 1137 CH2 TRP A 70 -11.280 0.066 8.781 1.00 0.00 C ATOM 0 H TRP A 70 -8.822 2.595 4.521 1.00 0.00 H new ATOM 0 HA TRP A 70 -11.371 3.791 5.270 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -8.514 4.690 5.716 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -9.932 5.150 6.637 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -7.056 3.450 7.405 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -7.265 1.336 8.799 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -12.008 2.791 6.908 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -9.321 -0.489 9.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -13.106 0.850 7.954 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -11.761 -0.776 9.257 1.00 0.00 H new ATOM 1148 N CYS A 71 -10.902 4.765 2.669 1.00 0.00 N ATOM 1149 CA CYS A 71 -11.087 5.712 1.551 1.00 0.00 C ATOM 1150 C CYS A 71 -12.382 6.499 1.749 1.00 0.00 C ATOM 1151 O CYS A 71 -12.314 7.701 1.961 1.00 0.00 O ATOM 1152 CB CYS A 71 -11.099 5.034 0.176 1.00 0.00 C ATOM 1153 SG CYS A 71 -11.454 6.225 -1.173 1.00 0.00 S ATOM 0 H CYS A 71 -11.173 3.810 2.433 1.00 0.00 H new ATOM 0 HA CYS A 71 -10.227 6.382 1.563 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -10.134 4.560 -0.003 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -11.849 4.243 0.168 1.00 0.00 H new ATOM 0 HG CYS A 71 -11.451 5.602 -2.314 1.00 0.00 H new ATOM 1159 N ARG A 72 -13.502 5.788 1.886 1.00 0.00 N ATOM 1160 CA ARG A 72 -14.818 6.384 2.225 1.00 0.00 C ATOM 1161 C ARG A 72 -14.765 7.274 3.487 1.00 0.00 C ATOM 1162 O ARG A 72 -15.495 8.253 3.617 1.00 0.00 O ATOM 1163 CB ARG A 72 -15.870 5.266 2.356 1.00 0.00 C ATOM 1164 CG ARG A 72 -15.685 4.331 3.564 1.00 0.00 C ATOM 1165 CD ARG A 72 -16.451 4.824 4.798 1.00 0.00 C ATOM 1166 NE ARG A 72 -17.780 4.197 4.832 1.00 0.00 N ATOM 1167 CZ ARG A 72 -18.852 4.608 5.517 1.00 0.00 C ATOM 1168 NH1 ARG A 72 -18.891 5.773 6.151 1.00 0.00 N ATOM 1169 NH2 ARG A 72 -19.949 3.869 5.503 1.00 0.00 N ATOM 0 H ARG A 72 -13.534 4.776 1.766 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.106 7.050 1.412 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -16.857 5.724 2.419 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -15.854 4.666 1.446 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -16.026 3.329 3.302 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -14.624 4.254 3.803 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -15.898 4.579 5.705 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -16.550 5.909 4.769 1.00 0.00 H new ATOM 0 HE ARG A 72 -17.898 3.354 4.270 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -18.082 6.394 6.127 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -19.730 6.048 6.662 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -19.970 2.997 4.974 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -20.774 4.171 6.021 1.00 0.00 H new ATOM 1183 N LYS A 73 -13.793 6.961 4.349 1.00 0.00 N ATOM 1184 CA LYS A 73 -13.554 7.678 5.607 1.00 0.00 C ATOM 1185 C LYS A 73 -12.600 8.862 5.378 1.00 0.00 C ATOM 1186 O LYS A 73 -13.007 9.993 5.595 1.00 0.00 O ATOM 1187 CB LYS A 73 -13.007 6.724 6.671 1.00 0.00 C ATOM 1188 CG LYS A 73 -13.657 7.048 8.018 1.00 0.00 C ATOM 1189 CD LYS A 73 -14.592 5.917 8.450 1.00 0.00 C ATOM 1190 CE LYS A 73 -15.603 6.405 9.489 1.00 0.00 C ATOM 1191 NZ LYS A 73 -15.463 5.713 10.779 1.00 0.00 N ATOM 0 H LYS A 73 -13.141 6.193 4.191 1.00 0.00 H new ATOM 0 HA LYS A 73 -14.502 8.076 5.969 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.215 5.691 6.392 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.924 6.823 6.743 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -12.886 7.198 8.773 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.216 7.981 7.943 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -15.120 5.525 7.581 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.007 5.096 8.865 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.476 7.477 9.640 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.613 6.255 9.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.170 6.079 11.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.611 4.693 10.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.509 5.877 11.159 1.00 0.00 H new ATOM 1205 N TYR A 74 -11.487 8.647 4.683 1.00 0.00 N ATOM 1206 CA TYR A 74 -10.555 9.722 4.282 1.00 0.00 C ATOM 1207 C TYR A 74 -11.195 10.737 3.307 1.00 0.00 C ATOM 1208 O TYR A 74 -10.708 11.851 3.147 1.00 0.00 O ATOM 1209 CB TYR A 74 -9.316 9.052 3.673 1.00 0.00 C ATOM 1210 CG TYR A 74 -8.295 10.028 3.109 1.00 0.00 C ATOM 1211 CD1 TYR A 74 -8.517 10.560 1.843 1.00 0.00 C ATOM 1212 CD2 TYR A 74 -7.169 10.403 3.832 1.00 0.00 C ATOM 1213 CE1 TYR A 74 -7.633 11.459 1.298 1.00 0.00 C ATOM 1214 CE2 TYR A 74 -6.272 11.300 3.283 1.00 0.00 C ATOM 1215 CZ TYR A 74 -6.492 11.820 2.007 1.00 0.00 C ATOM 1216 OH TYR A 74 -5.556 12.590 1.411 1.00 0.00 O ATOM 0 H TYR A 74 -11.195 7.719 4.375 1.00 0.00 H new ATOM 0 HA TYR A 74 -10.280 10.310 5.158 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -8.835 8.441 4.436 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -9.635 8.377 2.879 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -9.392 10.264 1.284 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.996 9.996 4.817 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.823 11.884 0.323 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -5.398 11.599 3.843 1.00 0.00 H new ATOM 0 HH TYR A 74 -5.049 13.076 2.094 1.00 0.00 H new ATOM 1226 N MET A 75 -12.236 10.309 2.606 1.00 0.00 N ATOM 1227 CA MET A 75 -12.988 11.114 1.626 1.00 0.00 C ATOM 1228 C MET A 75 -14.057 12.017 2.250 1.00 0.00 C ATOM 1229 O MET A 75 -14.216 13.159 1.829 1.00 0.00 O ATOM 1230 CB MET A 75 -13.631 10.173 0.606 1.00 0.00 C ATOM 1231 CG MET A 75 -12.756 9.995 -0.636 1.00 0.00 C ATOM 1232 SD MET A 75 -13.038 11.327 -1.859 1.00 0.00 S ATOM 1233 CE MET A 75 -11.475 12.176 -1.818 1.00 0.00 C ATOM 0 H MET A 75 -12.600 9.361 2.700 1.00 0.00 H new ATOM 0 HA MET A 75 -12.274 11.786 1.150 1.00 0.00 H new ATOM 0 HB2 MET A 75 -13.807 9.202 1.068 1.00 0.00 H new ATOM 0 HB3 MET A 75 -14.604 10.567 0.311 1.00 0.00 H new ATOM 0 HG2 MET A 75 -11.706 9.986 -0.343 1.00 0.00 H new ATOM 0 HG3 MET A 75 -12.967 9.029 -1.095 1.00 0.00 H new ATOM 0 HE1 MET A 75 -11.485 12.992 -2.540 1.00 0.00 H new ATOM 0 HE2 MET A 75 -11.305 12.578 -0.819 1.00 0.00 H new ATOM 0 HE3 MET A 75 -10.676 11.479 -2.070 1.00 0.00 H new ATOM 1243 N LYS A 76 -14.712 11.511 3.294 1.00 0.00 N ATOM 1244 CA LYS A 76 -15.794 12.253 3.967 1.00 0.00 C ATOM 1245 C LYS A 76 -15.309 12.891 5.278 1.00 0.00 C ATOM 1246 O LYS A 76 -15.526 14.074 5.519 1.00 0.00 O ATOM 1247 CB LYS A 76 -16.976 11.320 4.233 1.00 0.00 C ATOM 1248 CG LYS A 76 -18.255 12.145 4.363 1.00 0.00 C ATOM 1249 CD LYS A 76 -19.409 11.293 4.882 1.00 0.00 C ATOM 1250 CE LYS A 76 -20.707 12.097 4.854 1.00 0.00 C ATOM 1251 NZ LYS A 76 -21.811 11.291 5.390 1.00 0.00 N ATOM 0 H LYS A 76 -14.518 10.594 3.696 1.00 0.00 H new ATOM 0 HA LYS A 76 -16.114 13.060 3.307 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -17.075 10.600 3.420 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -16.804 10.749 5.145 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -18.084 12.982 5.040 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -18.519 12.568 3.394 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -19.514 10.397 4.270 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -19.199 10.962 5.899 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -20.593 13.008 5.442 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -20.932 12.403 3.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -22.690 11.847 5.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -21.928 10.434 4.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -21.599 11.020 6.371 1.00 0.00 H new ATOM 1265 N SER A 77 -14.614 12.094 6.083 1.00 0.00 N ATOM 1266 CA SER A 77 -13.936 12.562 7.308 1.00 0.00 C ATOM 1267 C SER A 77 -12.700 13.403 6.953 1.00 0.00 C ATOM 1268 O SER A 77 -12.434 14.385 7.638 1.00 0.00 O ATOM 1269 CB SER A 77 -13.573 11.366 8.199 1.00 0.00 C ATOM 1270 OG SER A 77 -12.952 11.752 9.428 1.00 0.00 O ATOM 0 H SER A 77 -14.499 11.095 5.911 1.00 0.00 H new ATOM 0 HA SER A 77 -14.616 13.203 7.869 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.476 10.796 8.418 1.00 0.00 H new ATOM 0 HB3 SER A 77 -12.902 10.703 7.652 1.00 0.00 H new ATOM 0 HG SER A 77 -12.744 10.952 9.955 1.00 0.00 H new ATOM 1276 N GLY A 78 -11.972 13.028 5.880 1.00 0.00 N ATOM 1277 CA GLY A 78 -10.738 13.733 5.449 1.00 0.00 C ATOM 1278 C GLY A 78 -9.751 14.028 6.586 1.00 0.00 C ATOM 1279 O GLY A 78 -8.921 14.932 6.516 1.00 0.00 O ATOM 0 H GLY A 78 -12.218 12.234 5.289 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.234 13.130 4.693 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -11.018 14.673 4.973 1.00 0.00 H new ATOM 1283 N ASN A 79 -9.848 13.200 7.621 1.00 0.00 N ATOM 1284 CA ASN A 79 -9.073 13.369 8.847 1.00 0.00 C ATOM 1285 C ASN A 79 -7.810 12.533 8.735 1.00 0.00 C ATOM 1286 O ASN A 79 -7.846 11.303 8.619 1.00 0.00 O ATOM 1287 CB ASN A 79 -9.900 12.966 10.072 1.00 0.00 C ATOM 1288 CG ASN A 79 -10.483 14.181 10.801 1.00 0.00 C ATOM 1289 OD1 ASN A 79 -11.139 15.054 10.257 1.00 0.00 O ATOM 1290 ND2 ASN A 79 -10.192 14.291 12.078 1.00 0.00 N ATOM 0 H ASN A 79 -10.468 12.390 7.634 1.00 0.00 H new ATOM 0 HA ASN A 79 -8.803 14.417 8.975 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -10.711 12.308 9.760 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -9.274 12.397 10.760 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -10.514 15.102 12.606 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -9.644 13.566 12.541 1.00 0.00 H new ATOM 1297 N VAL A 80 -6.707 13.251 8.913 1.00 0.00 N ATOM 1298 CA VAL A 80 -5.364 12.649 9.048 1.00 0.00 C ATOM 1299 C VAL A 80 -5.341 11.615 10.192 1.00 0.00 C ATOM 1300 O VAL A 80 -4.505 10.731 10.167 1.00 0.00 O ATOM 1301 CB VAL A 80 -4.258 13.720 9.193 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -2.848 13.126 9.332 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -4.238 14.646 7.973 1.00 0.00 C ATOM 0 H VAL A 80 -6.707 14.269 8.969 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.142 12.116 8.124 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.504 14.262 10.106 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.121 13.933 9.430 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.806 12.491 10.217 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.615 12.532 8.448 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.453 15.392 8.095 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.045 14.060 7.074 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.202 15.146 7.880 1.00 0.00 H new ATOM 1313 N LYS A 81 -6.375 11.576 11.033 1.00 0.00 N ATOM 1314 CA LYS A 81 -6.564 10.516 12.044 1.00 0.00 C ATOM 1315 C LYS A 81 -6.576 9.086 11.469 1.00 0.00 C ATOM 1316 O LYS A 81 -6.078 8.154 12.093 1.00 0.00 O ATOM 1317 CB LYS A 81 -7.805 10.795 12.901 1.00 0.00 C ATOM 1318 CG LYS A 81 -7.711 12.101 13.708 1.00 0.00 C ATOM 1319 CD LYS A 81 -6.337 12.297 14.365 1.00 0.00 C ATOM 1320 CE LYS A 81 -6.392 13.208 15.586 1.00 0.00 C ATOM 1321 NZ LYS A 81 -6.273 12.380 16.793 1.00 0.00 N ATOM 0 H LYS A 81 -7.113 12.280 11.038 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.682 10.552 12.683 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.681 10.839 12.254 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.957 9.963 13.588 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.918 12.945 13.050 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -8.481 12.102 14.479 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.938 11.326 14.659 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.646 12.717 13.634 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.586 13.940 15.548 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.328 13.766 15.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.309 12.988 17.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.057 11.698 16.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.368 11.867 16.774 1.00 0.00 H new ATOM 1335 N ASP A 82 -7.005 8.975 10.214 1.00 0.00 N ATOM 1336 CA ASP A 82 -6.847 7.749 9.411 1.00 0.00 C ATOM 1337 C ASP A 82 -5.417 7.602 8.852 1.00 0.00 C ATOM 1338 O ASP A 82 -4.813 6.539 8.962 1.00 0.00 O ATOM 1339 CB ASP A 82 -7.905 7.779 8.299 1.00 0.00 C ATOM 1340 CG ASP A 82 -7.667 6.774 7.167 1.00 0.00 C ATOM 1341 OD1 ASP A 82 -7.063 5.718 7.447 1.00 0.00 O ATOM 1342 OD2 ASP A 82 -8.018 7.148 6.032 1.00 0.00 O ATOM 0 H ASP A 82 -7.475 9.732 9.717 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.999 6.872 10.040 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.883 7.585 8.740 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -7.940 8.783 7.875 1.00 0.00 H new ATOM 1347 N LEU A 83 -4.861 8.697 8.347 1.00 0.00 N ATOM 1348 CA LEU A 83 -3.534 8.722 7.699 1.00 0.00 C ATOM 1349 C LEU A 83 -2.354 8.537 8.666 1.00 0.00 C ATOM 1350 O LEU A 83 -1.480 7.721 8.403 1.00 0.00 O ATOM 1351 CB LEU A 83 -3.394 10.007 6.873 1.00 0.00 C ATOM 1352 CG LEU A 83 -3.072 9.772 5.387 1.00 0.00 C ATOM 1353 CD1 LEU A 83 -1.681 9.163 5.194 1.00 0.00 C ATOM 1354 CD2 LEU A 83 -4.134 8.911 4.696 1.00 0.00 C ATOM 0 H LEU A 83 -5.316 9.609 8.371 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.485 7.853 7.042 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -4.321 10.575 6.946 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.608 10.622 7.310 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.080 10.754 4.914 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.494 9.013 4.131 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.929 9.837 5.604 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.629 8.204 5.710 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.865 8.772 3.649 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -4.192 7.940 5.188 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.102 9.408 4.759 1.00 0.00 H new ATOM 1366 N THR A 84 -2.431 9.159 9.838 1.00 0.00 N ATOM 1367 CA THR A 84 -1.517 8.959 10.987 1.00 0.00 C ATOM 1368 C THR A 84 -1.406 7.476 11.412 1.00 0.00 C ATOM 1369 O THR A 84 -0.368 7.017 11.878 1.00 0.00 O ATOM 1370 CB THR A 84 -1.917 9.866 12.172 1.00 0.00 C ATOM 1371 OG1 THR A 84 -0.907 9.820 13.177 1.00 0.00 O ATOM 1372 CG2 THR A 84 -3.270 9.536 12.813 1.00 0.00 C ATOM 0 H THR A 84 -3.158 9.847 10.034 1.00 0.00 H new ATOM 0 HA THR A 84 -0.521 9.252 10.657 1.00 0.00 H new ATOM 0 HB THR A 84 -2.019 10.864 11.746 1.00 0.00 H new ATOM 0 HG1 THR A 84 -1.164 10.398 13.926 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.462 10.226 13.634 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.059 9.632 12.067 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.253 8.515 13.194 1.00 0.00 H new ATOM 1380 N GLN A 85 -2.463 6.716 11.129 1.00 0.00 N ATOM 1381 CA GLN A 85 -2.479 5.255 11.327 1.00 0.00 C ATOM 1382 C GLN A 85 -2.124 4.472 10.056 1.00 0.00 C ATOM 1383 O GLN A 85 -1.362 3.508 10.108 1.00 0.00 O ATOM 1384 CB GLN A 85 -3.853 4.827 11.837 1.00 0.00 C ATOM 1385 CG GLN A 85 -3.764 4.262 13.259 1.00 0.00 C ATOM 1386 CD GLN A 85 -3.338 5.266 14.337 1.00 0.00 C ATOM 1387 OE1 GLN A 85 -3.280 6.480 14.173 1.00 0.00 O ATOM 1388 NE2 GLN A 85 -3.041 4.751 15.506 1.00 0.00 N ATOM 0 H GLN A 85 -3.336 7.089 10.756 1.00 0.00 H new ATOM 0 HA GLN A 85 -1.709 5.021 12.062 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -4.531 5.680 11.824 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -4.274 4.075 11.170 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.737 3.852 13.531 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -3.057 3.432 13.259 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -3.088 3.742 15.646 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -2.763 5.360 16.276 1.00 0.00 H new ATOM 1397 N ALA A 86 -2.592 4.966 8.914 1.00 0.00 N ATOM 1398 CA ALA A 86 -2.265 4.437 7.581 1.00 0.00 C ATOM 1399 C ALA A 86 -0.755 4.471 7.308 1.00 0.00 C ATOM 1400 O ALA A 86 -0.204 3.432 6.972 1.00 0.00 O ATOM 1401 CB ALA A 86 -3.025 5.228 6.518 1.00 0.00 C ATOM 0 H ALA A 86 -3.225 5.765 8.882 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.572 3.392 7.543 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.783 4.836 5.530 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.097 5.135 6.692 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.738 6.278 6.572 1.00 0.00 H new ATOM 1407 N TRP A 87 -0.086 5.541 7.745 1.00 0.00 N ATOM 1408 CA TRP A 87 1.383 5.685 7.689 1.00 0.00 C ATOM 1409 C TRP A 87 2.054 4.584 8.523 1.00 0.00 C ATOM 1410 O TRP A 87 2.943 3.899 8.028 1.00 0.00 O ATOM 1411 CB TRP A 87 1.816 7.102 8.123 1.00 0.00 C ATOM 1412 CG TRP A 87 2.644 7.215 9.420 1.00 0.00 C ATOM 1413 CD1 TRP A 87 2.232 7.707 10.587 1.00 0.00 C ATOM 1414 CD2 TRP A 87 3.945 6.792 9.596 1.00 0.00 C ATOM 1415 NE1 TRP A 87 3.205 7.587 11.488 1.00 0.00 N ATOM 1416 CE2 TRP A 87 4.273 7.035 10.937 1.00 0.00 C ATOM 1417 CE3 TRP A 87 4.876 6.221 8.753 1.00 0.00 C ATOM 1418 CZ2 TRP A 87 5.536 6.697 11.402 1.00 0.00 C ATOM 1419 CZ3 TRP A 87 6.133 5.882 9.222 1.00 0.00 C ATOM 1420 CH2 TRP A 87 6.464 6.108 10.557 1.00 0.00 C ATOM 0 H TRP A 87 -0.552 6.350 8.156 1.00 0.00 H new ATOM 0 HA TRP A 87 1.714 5.561 6.658 1.00 0.00 H new ATOM 0 HB2 TRP A 87 2.396 7.542 7.312 1.00 0.00 H new ATOM 0 HB3 TRP A 87 0.919 7.709 8.240 1.00 0.00 H new ATOM 0 HD1 TRP A 87 1.259 8.137 10.774 1.00 0.00 H new ATOM 0 HE1 TRP A 87 3.136 7.879 12.463 1.00 0.00 H new ATOM 0 HE3 TRP A 87 4.622 6.037 7.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 5.798 6.894 12.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 6.858 5.442 8.553 1.00 0.00 H new ATOM 0 HH2 TRP A 87 7.437 5.826 10.931 1.00 0.00 H new ATOM 1431 N ASP A 88 1.444 4.294 9.675 1.00 0.00 N ATOM 1432 CA ASP A 88 1.936 3.249 10.580 1.00 0.00 C ATOM 1433 C ASP A 88 1.767 1.880 9.917 1.00 0.00 C ATOM 1434 O ASP A 88 2.771 1.224 9.748 1.00 0.00 O ATOM 1435 CB ASP A 88 1.258 3.295 11.955 1.00 0.00 C ATOM 1436 CG ASP A 88 1.946 2.387 12.986 1.00 0.00 C ATOM 1437 OD1 ASP A 88 3.186 2.229 12.900 1.00 0.00 O ATOM 1438 OD2 ASP A 88 1.208 1.849 13.839 1.00 0.00 O ATOM 0 H ASP A 88 0.605 4.770 10.005 1.00 0.00 H new ATOM 0 HA ASP A 88 2.995 3.431 10.763 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.260 4.321 12.322 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.215 2.995 11.852 1.00 0.00 H new ATOM 1443 N LEU A 89 0.624 1.614 9.282 1.00 0.00 N ATOM 1444 CA LEU A 89 0.388 0.338 8.575 1.00 0.00 C ATOM 1445 C LEU A 89 1.233 0.208 7.298 1.00 0.00 C ATOM 1446 O LEU A 89 1.917 -0.798 7.123 1.00 0.00 O ATOM 1447 CB LEU A 89 -1.100 0.156 8.259 1.00 0.00 C ATOM 1448 CG LEU A 89 -1.992 0.118 9.507 1.00 0.00 C ATOM 1449 CD1 LEU A 89 -3.463 0.163 9.096 1.00 0.00 C ATOM 1450 CD2 LEU A 89 -1.736 -1.139 10.345 1.00 0.00 C ATOM 0 H LEU A 89 -0.161 2.264 9.239 1.00 0.00 H new ATOM 0 HA LEU A 89 0.704 -0.458 9.249 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.428 0.970 7.613 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.234 -0.769 7.699 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.748 0.989 10.116 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.091 0.136 9.987 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.658 1.082 8.543 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.691 -0.696 8.465 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.385 -1.131 11.220 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.946 -2.025 9.745 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.695 -1.156 10.666 1.00 0.00 H new ATOM 1462 N TYR A 90 1.309 1.287 6.524 1.00 0.00 N ATOM 1463 CA TYR A 90 2.165 1.415 5.329 1.00 0.00 C ATOM 1464 C TYR A 90 3.642 1.165 5.634 1.00 0.00 C ATOM 1465 O TYR A 90 4.243 0.323 4.982 1.00 0.00 O ATOM 1466 CB TYR A 90 2.022 2.804 4.693 1.00 0.00 C ATOM 1467 CG TYR A 90 0.644 3.055 4.082 1.00 0.00 C ATOM 1468 CD1 TYR A 90 -0.032 2.053 3.387 1.00 0.00 C ATOM 1469 CD2 TYR A 90 0.072 4.319 4.186 1.00 0.00 C ATOM 1470 CE1 TYR A 90 -1.254 2.308 2.802 1.00 0.00 C ATOM 1471 CE2 TYR A 90 -1.157 4.575 3.614 1.00 0.00 C ATOM 1472 CZ TYR A 90 -1.817 3.576 2.904 1.00 0.00 C ATOM 1473 OH TYR A 90 -2.943 3.867 2.221 1.00 0.00 O ATOM 0 H TYR A 90 0.762 2.128 6.710 1.00 0.00 H new ATOM 0 HA TYR A 90 1.823 0.649 4.633 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.219 3.563 5.450 1.00 0.00 H new ATOM 0 HB3 TYR A 90 2.781 2.921 3.919 1.00 0.00 H new ATOM 0 HD1 TYR A 90 0.405 1.069 3.306 1.00 0.00 H new ATOM 0 HD2 TYR A 90 0.592 5.103 4.717 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -1.772 1.526 2.267 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -1.607 5.551 3.717 1.00 0.00 H new ATOM 0 HH TYR A 90 -3.205 4.794 2.403 1.00 0.00 H new ATOM 1483 N TYR A 91 4.143 1.786 6.698 1.00 0.00 N ATOM 1484 CA TYR A 91 5.527 1.619 7.178 1.00 0.00 C ATOM 1485 C TYR A 91 5.780 0.299 7.925 1.00 0.00 C ATOM 1486 O TYR A 91 6.748 -0.409 7.651 1.00 0.00 O ATOM 1487 CB TYR A 91 5.851 2.794 8.093 1.00 0.00 C ATOM 1488 CG TYR A 91 7.343 2.896 8.374 1.00 0.00 C ATOM 1489 CD1 TYR A 91 8.184 3.383 7.380 1.00 0.00 C ATOM 1490 CD2 TYR A 91 7.839 2.657 9.653 1.00 0.00 C ATOM 1491 CE1 TYR A 91 9.511 3.625 7.652 1.00 0.00 C ATOM 1492 CE2 TYR A 91 9.177 2.898 9.929 1.00 0.00 C ATOM 1493 CZ TYR A 91 10.019 3.368 8.928 1.00 0.00 C ATOM 1494 OH TYR A 91 11.334 3.606 9.147 1.00 0.00 O ATOM 0 H TYR A 91 3.596 2.432 7.266 1.00 0.00 H new ATOM 0 HA TYR A 91 6.174 1.589 6.301 1.00 0.00 H new ATOM 0 HB2 TYR A 91 5.503 3.719 7.633 1.00 0.00 H new ATOM 0 HB3 TYR A 91 5.311 2.683 9.033 1.00 0.00 H new ATOM 0 HD1 TYR A 91 7.794 3.572 6.391 1.00 0.00 H new ATOM 0 HD2 TYR A 91 7.184 2.285 10.427 1.00 0.00 H new ATOM 0 HE1 TYR A 91 10.159 4.013 6.880 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.564 2.720 10.921 1.00 0.00 H new ATOM 0 HH TYR A 91 11.556 3.386 10.076 1.00 0.00 H new ATOM 1504 N HIS A 92 4.838 -0.062 8.788 1.00 0.00 N ATOM 1505 CA HIS A 92 4.852 -1.323 9.555 1.00 0.00 C ATOM 1506 C HIS A 92 4.880 -2.509 8.588 1.00 0.00 C ATOM 1507 O HIS A 92 5.583 -3.471 8.862 1.00 0.00 O ATOM 1508 CB HIS A 92 3.615 -1.435 10.454 1.00 0.00 C ATOM 1509 CG HIS A 92 3.630 -2.657 11.382 1.00 0.00 C ATOM 1510 ND1 HIS A 92 4.643 -3.035 12.144 1.00 0.00 N ATOM 1511 CD2 HIS A 92 2.673 -3.570 11.461 1.00 0.00 C ATOM 1512 CE1 HIS A 92 4.313 -4.204 12.701 1.00 0.00 C ATOM 1513 NE2 HIS A 92 3.099 -4.533 12.277 1.00 0.00 N ATOM 0 H HIS A 92 4.023 0.518 8.985 1.00 0.00 H new ATOM 0 HA HIS A 92 5.741 -1.330 10.185 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.535 -0.532 11.059 1.00 0.00 H new ATOM 0 HB3 HIS A 92 2.725 -1.478 9.827 1.00 0.00 H new ATOM 0 HD2 HIS A 92 1.719 -3.539 10.955 1.00 0.00 H new ATOM 0 HE1 HIS A 92 4.927 -4.780 13.378 1.00 0.00 H new ATOM 0 HE2 HIS A 92 2.583 -5.375 12.531 1.00 0.00 H new ATOM 1521 N VAL A 93 4.215 -2.341 7.444 1.00 0.00 N ATOM 1522 CA VAL A 93 4.193 -3.323 6.350 1.00 0.00 C ATOM 1523 C VAL A 93 5.303 -3.124 5.306 1.00 0.00 C ATOM 1524 O VAL A 93 5.698 -4.096 4.668 1.00 0.00 O ATOM 1525 CB VAL A 93 2.788 -3.418 5.735 1.00 0.00 C ATOM 1526 CG1 VAL A 93 2.493 -2.498 4.539 1.00 0.00 C ATOM 1527 CG2 VAL A 93 2.526 -4.881 5.414 1.00 0.00 C ATOM 0 H VAL A 93 3.666 -1.505 7.245 1.00 0.00 H new ATOM 0 HA VAL A 93 4.426 -4.292 6.792 1.00 0.00 H new ATOM 0 HB VAL A 93 2.091 -3.036 6.481 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.471 -2.661 4.198 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.613 -1.458 4.842 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.186 -2.722 3.728 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.534 -4.985 4.975 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.275 -5.238 4.708 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.581 -5.470 6.330 1.00 0.00 H new ATOM 1537 N PHE A 94 5.782 -1.892 5.155 1.00 0.00 N ATOM 1538 CA PHE A 94 6.922 -1.501 4.295 1.00 0.00 C ATOM 1539 C PHE A 94 8.144 -2.418 4.483 1.00 0.00 C ATOM 1540 O PHE A 94 9.058 -2.421 3.670 1.00 0.00 O ATOM 1541 CB PHE A 94 7.303 -0.051 4.637 1.00 0.00 C ATOM 1542 CG PHE A 94 8.451 0.534 3.822 1.00 0.00 C ATOM 1543 CD1 PHE A 94 9.769 0.190 4.128 1.00 0.00 C ATOM 1544 CD2 PHE A 94 8.189 1.360 2.735 1.00 0.00 C ATOM 1545 CE1 PHE A 94 10.805 0.622 3.327 1.00 0.00 C ATOM 1546 CE2 PHE A 94 9.229 1.818 1.951 1.00 0.00 C ATOM 1547 CZ PHE A 94 10.544 1.439 2.234 1.00 0.00 C ATOM 0 H PHE A 94 5.376 -1.095 5.646 1.00 0.00 H new ATOM 0 HA PHE A 94 6.616 -1.595 3.253 1.00 0.00 H new ATOM 0 HB2 PHE A 94 6.424 0.579 4.500 1.00 0.00 H new ATOM 0 HB3 PHE A 94 7.568 -0.003 5.693 1.00 0.00 H new ATOM 0 HD1 PHE A 94 9.978 -0.417 4.996 1.00 0.00 H new ATOM 0 HD2 PHE A 94 7.173 1.643 2.504 1.00 0.00 H new ATOM 0 HE1 PHE A 94 11.819 0.325 3.549 1.00 0.00 H new ATOM 0 HE2 PHE A 94 9.026 2.472 1.116 1.00 0.00 H new ATOM 0 HZ PHE A 94 11.354 1.780 1.606 1.00 0.00 H new ATOM 1557 N ARG A 95 8.213 -3.043 5.650 1.00 0.00 N ATOM 1558 CA ARG A 95 9.247 -4.036 5.991 1.00 0.00 C ATOM 1559 C ARG A 95 8.716 -5.486 6.032 1.00 0.00 C ATOM 1560 O ARG A 95 9.460 -6.417 5.732 1.00 0.00 O ATOM 1561 CB ARG A 95 9.888 -3.630 7.322 1.00 0.00 C ATOM 1562 CG ARG A 95 8.864 -3.628 8.457 1.00 0.00 C ATOM 1563 CD ARG A 95 9.377 -4.496 9.600 1.00 0.00 C ATOM 1564 NE ARG A 95 10.064 -3.653 10.587 1.00 0.00 N ATOM 1565 CZ ARG A 95 9.465 -2.902 11.517 1.00 0.00 C ATOM 1566 NH1 ARG A 95 8.143 -2.866 11.641 1.00 0.00 N ATOM 1567 NH2 ARG A 95 10.195 -2.173 12.341 1.00 0.00 N ATOM 0 H ARG A 95 7.547 -2.879 6.404 1.00 0.00 H new ATOM 0 HA ARG A 95 9.995 -4.036 5.199 1.00 0.00 H new ATOM 0 HB2 ARG A 95 10.698 -4.318 7.562 1.00 0.00 H new ATOM 0 HB3 ARG A 95 10.330 -2.638 7.227 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.694 -2.610 8.807 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.907 -4.007 8.099 1.00 0.00 H new ATOM 0 HD2 ARG A 95 8.547 -5.023 10.071 1.00 0.00 H new ATOM 0 HD3 ARG A 95 10.059 -5.255 9.216 1.00 0.00 H new ATOM 0 HE ARG A 95 11.084 -3.639 10.561 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.557 -3.421 11.017 1.00 0.00 H new ATOM 0 HH12 ARG A 95 7.714 -2.284 12.360 1.00 0.00 H new ATOM 0 HH21 ARG A 95 11.212 -2.184 12.267 1.00 0.00 H new ATOM 0 HH22 ARG A 95 9.742 -1.599 13.052 1.00 0.00 H new ATOM 1581 N ARG A 96 7.409 -5.632 6.261 1.00 0.00 N ATOM 1582 CA ARG A 96 6.675 -6.913 6.350 1.00 0.00 C ATOM 1583 C ARG A 96 6.518 -7.541 4.959 1.00 0.00 C ATOM 1584 O ARG A 96 7.263 -8.448 4.620 1.00 0.00 O ATOM 1585 CB ARG A 96 5.277 -6.716 6.949 1.00 0.00 C ATOM 1586 CG ARG A 96 5.257 -6.294 8.412 1.00 0.00 C ATOM 1587 CD ARG A 96 5.399 -7.463 9.380 1.00 0.00 C ATOM 1588 NE ARG A 96 6.169 -6.999 10.542 1.00 0.00 N ATOM 1589 CZ ARG A 96 7.489 -7.148 10.684 1.00 0.00 C ATOM 1590 NH1 ARG A 96 8.235 -7.654 9.708 1.00 0.00 N ATOM 1591 NH2 ARG A 96 8.101 -6.712 11.772 1.00 0.00 N ATOM 0 H ARG A 96 6.798 -4.827 6.397 1.00 0.00 H new ATOM 0 HA ARG A 96 7.256 -7.570 6.997 1.00 0.00 H new ATOM 0 HB2 ARG A 96 4.750 -5.964 6.362 1.00 0.00 H new ATOM 0 HB3 ARG A 96 4.720 -7.648 6.848 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.065 -5.585 8.589 1.00 0.00 H new ATOM 0 HG3 ARG A 96 4.323 -5.771 8.619 1.00 0.00 H new ATOM 0 HD2 ARG A 96 4.418 -7.821 9.691 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.905 -8.299 8.897 1.00 0.00 H new ATOM 0 HE ARG A 96 5.661 -6.531 11.292 1.00 0.00 H new ATOM 0 HH11 ARG A 96 7.801 -7.937 8.829 1.00 0.00 H new ATOM 0 HH12 ARG A 96 9.241 -7.759 9.837 1.00 0.00 H new ATOM 0 HH21 ARG A 96 7.565 -6.258 12.511 1.00 0.00 H new ATOM 0 HH22 ARG A 96 9.109 -6.830 11.872 1.00 0.00 H new ATOM 1605 N ILE A 97 5.730 -6.883 4.106 1.00 0.00 N ATOM 1606 CA ILE A 97 5.516 -7.301 2.703 1.00 0.00 C ATOM 1607 C ILE A 97 6.805 -7.257 1.871 1.00 0.00 C ATOM 1608 O ILE A 97 6.873 -7.839 0.796 1.00 0.00 O ATOM 1609 CB ILE A 97 4.368 -6.528 2.024 1.00 0.00 C ATOM 1610 CG1 ILE A 97 4.470 -4.998 2.052 1.00 0.00 C ATOM 1611 CG2 ILE A 97 3.047 -6.952 2.651 1.00 0.00 C ATOM 1612 CD1 ILE A 97 5.234 -4.412 0.867 1.00 0.00 C ATOM 0 H ILE A 97 5.216 -6.040 4.362 1.00 0.00 H new ATOM 0 HA ILE A 97 5.208 -8.346 2.747 1.00 0.00 H new ATOM 0 HB ILE A 97 4.436 -6.792 0.969 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.465 -4.576 2.070 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.960 -4.692 2.976 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.229 -6.410 2.177 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.904 -8.023 2.508 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.062 -6.727 3.717 1.00 0.00 H new ATOM 0 HD11 ILE A 97 5.265 -3.326 0.955 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.251 -4.805 0.860 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.732 -4.686 -0.061 1.00 0.00 H new ATOM 1624 N SER A 98 7.744 -6.449 2.345 1.00 0.00 N ATOM 1625 CA SER A 98 9.093 -6.331 1.776 1.00 0.00 C ATOM 1626 C SER A 98 10.012 -7.502 2.111 1.00 0.00 C ATOM 1627 O SER A 98 10.615 -8.075 1.207 1.00 0.00 O ATOM 1628 CB SER A 98 9.725 -5.041 2.268 1.00 0.00 C ATOM 1629 OG SER A 98 9.022 -3.989 1.614 1.00 0.00 O ATOM 0 H SER A 98 7.593 -5.843 3.151 1.00 0.00 H new ATOM 0 HA SER A 98 8.976 -6.333 0.692 1.00 0.00 H new ATOM 0 HB2 SER A 98 9.641 -4.953 3.351 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.788 -5.010 2.027 1.00 0.00 H new ATOM 0 HG SER A 98 9.139 -3.156 2.116 1.00 0.00 H new ATOM 1635 N LYS A 99 10.109 -7.817 3.402 1.00 0.00 N ATOM 1636 CA LYS A 99 10.985 -8.876 3.948 1.00 0.00 C ATOM 1637 C LYS A 99 12.471 -8.585 3.672 1.00 0.00 C ATOM 1638 O LYS A 99 13.238 -9.461 3.280 1.00 0.00 O ATOM 1639 CB LYS A 99 10.580 -10.270 3.435 1.00 0.00 C ATOM 1640 CG LYS A 99 9.125 -10.573 3.774 1.00 0.00 C ATOM 1641 CD LYS A 99 8.749 -12.045 3.631 1.00 0.00 C ATOM 1642 CE LYS A 99 7.462 -12.313 4.416 1.00 0.00 C ATOM 1643 NZ LYS A 99 7.652 -12.040 5.851 1.00 0.00 N ATOM 0 H LYS A 99 9.571 -7.336 4.123 1.00 0.00 H new ATOM 0 HA LYS A 99 10.850 -8.876 5.030 1.00 0.00 H new ATOM 0 HB2 LYS A 99 10.724 -10.321 2.356 1.00 0.00 H new ATOM 0 HB3 LYS A 99 11.226 -11.027 3.879 1.00 0.00 H new ATOM 0 HG2 LYS A 99 8.927 -10.256 4.798 1.00 0.00 H new ATOM 0 HG3 LYS A 99 8.480 -9.979 3.126 1.00 0.00 H new ATOM 0 HD2 LYS A 99 8.607 -12.296 2.580 1.00 0.00 H new ATOM 0 HD3 LYS A 99 9.555 -12.677 4.004 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.658 -11.689 4.027 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.156 -13.350 4.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.017 -12.648 6.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 8.639 -12.237 6.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 7.434 -11.042 6.046 1.00 0.00 H new ATOM 1657 N GLN A 100 12.860 -7.325 3.880 1.00 0.00 N ATOM 1658 CA GLN A 100 14.256 -6.859 3.704 1.00 0.00 C ATOM 1659 C GLN A 100 15.295 -7.750 4.437 1.00 0.00 C ATOM 1660 O GLN A 100 15.601 -7.469 5.618 1.00 0.00 O ATOM 1661 CB GLN A 100 14.334 -5.388 4.148 1.00 0.00 C ATOM 1662 CG GLN A 100 15.722 -4.779 3.910 1.00 0.00 C ATOM 1663 CD GLN A 100 16.203 -3.930 5.089 1.00 0.00 C ATOM 1664 OE1 GLN A 100 15.946 -4.178 6.262 1.00 0.00 O ATOM 1665 NE2 GLN A 100 16.991 -2.925 4.791 1.00 0.00 N ATOM 1666 OXT GLN A 100 15.796 -8.686 3.779 1.00 99.99 O ATOM 0 H GLN A 100 12.220 -6.588 4.177 1.00 0.00 H new ATOM 0 HA GLN A 100 14.522 -6.940 2.650 1.00 0.00 H new ATOM 0 HB2 GLN A 100 13.588 -4.807 3.606 1.00 0.00 H new ATOM 0 HB3 GLN A 100 14.086 -5.317 5.207 1.00 0.00 H new ATOM 0 HG2 GLN A 100 16.439 -5.579 3.727 1.00 0.00 H new ATOM 0 HG3 GLN A 100 15.695 -4.163 3.011 1.00 0.00 H new ATOM 0 HE21 GLN A 100 17.206 -2.717 3.816 1.00 0.00 H new ATOM 0 HE22 GLN A 100 17.389 -2.351 5.534 1.00 0.00 H new TER 1675 GLN A 100