USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 819 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 41 LYS NZ :NH3+ -175:sc= -0.522! (180deg=0.733) USER MOD Set 1.2: A 45 ASN : amide:sc= -1.58! C(o=-2.1!,f=-9.4!) USER MOD Single : A 3 GLN : amide:sc= -0.157 K(o=-0.16,f=-0.81) USER MOD Single : A 7 GLN : amide:sc= -0.484 X(o=-0.48,f=-0.14) USER MOD Single : A 13 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-2.5!) USER MOD Single : A 14 GLN :FLIP amide:sc= -0.0331 F(o=-1.3,f=-0.033) USER MOD Single : A 17 LYS NZ :NH3+ -108:sc= 1.22 (180deg=-0.215) USER MOD Single : A 19 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.011) USER MOD Single : A 21 SER OG : rot -130:sc= -0.138 USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 23 TYR OH : rot 68:sc= 0.00631 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 158:sc= -1.46 (180deg=-2.28) USER MOD Single : A 32 TYR OH : rot -155:sc= 0.0669 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS :FLIP no HD1:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 50 SER OG : rot 92:sc= 0.388 USER MOD Single : A 51 LYS NZ :NH3+ 167:sc= -0.0271 (180deg=-0.212) USER MOD Single : A 59 ASN : amide:sc= -1.18 K(o=-1.2,f=-9!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.0212 K(o=-0.021,f=-0.53) USER MOD Single : A 63 LYS NZ :NH3+ -173:sc= 0.946 (180deg=0.743) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -1.33 K(o=-1.3,f=-4!) USER MOD Single : A 75 LYS NZ :NH3+ -164:sc= 1.22 (180deg=1.16) USER MOD Single : A 76 GLN : amide:sc= 0.433 K(o=0.43,f=-0.41) USER MOD Single : A 77 LYS NZ :NH3+ -166:sc=-0.00123 (180deg=-0.165) USER MOD Single : A 86 SER OG : rot 180:sc= -0.0958 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0.423 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ASP A 2 -10.492 -8.068 15.559 1.00 13.20 N ATOM 21 CA ASP A 2 -10.763 -9.293 14.798 1.00 42.14 C ATOM 22 C ASP A 2 -9.527 -9.790 14.026 1.00 25.11 C ATOM 23 O ASP A 2 -8.660 -9.005 13.629 1.00 1.34 O ATOM 24 CB ASP A 2 -11.928 -9.052 13.831 1.00 62.14 C ATOM 25 CG ASP A 2 -12.346 -10.318 13.103 1.00 23.40 C ATOM 26 OD1 ASP A 2 -13.035 -11.158 13.718 1.00 44.21 O ATOM 27 OD2 ASP A 2 -11.969 -10.491 11.929 1.00 13.51 O ATOM 0 HA ASP A 2 -11.028 -10.072 15.512 1.00 42.14 H new ATOM 0 HB2 ASP A 2 -12.780 -8.656 14.384 1.00 62.14 H new ATOM 0 HB3 ASP A 2 -11.641 -8.294 13.102 1.00 62.14 H new ATOM 32 N GLN A 3 -9.477 -11.104 13.796 1.00 70.31 N ATOM 33 CA GLN A 3 -8.337 -11.749 13.133 1.00 63.51 C ATOM 34 C GLN A 3 -8.089 -11.175 11.726 1.00 33.23 C ATOM 35 O GLN A 3 -6.966 -11.227 11.215 1.00 51.14 O ATOM 36 CB GLN A 3 -8.572 -13.267 13.059 1.00 65.03 C ATOM 37 CG GLN A 3 -7.315 -14.086 12.769 1.00 31.53 C ATOM 38 CD GLN A 3 -6.236 -13.904 13.826 1.00 55.24 C ATOM 39 OE1 GLN A 3 -6.520 -13.602 14.980 1.00 13.23 O ATOM 40 NE2 GLN A 3 -4.992 -14.106 13.448 1.00 3.34 N ATOM 0 H GLN A 3 -10.221 -11.750 14.062 1.00 70.31 H new ATOM 0 HA GLN A 3 -7.445 -11.546 13.726 1.00 63.51 H new ATOM 0 HB2 GLN A 3 -9.000 -13.603 14.004 1.00 65.03 H new ATOM 0 HB3 GLN A 3 -9.311 -13.471 12.284 1.00 65.03 H new ATOM 0 HG2 GLN A 3 -7.581 -15.141 12.706 1.00 31.53 H new ATOM 0 HG3 GLN A 3 -6.916 -13.799 11.796 1.00 31.53 H new ATOM 0 HE21 GLN A 3 -4.787 -14.356 12.481 1.00 3.34 H new ATOM 0 HE22 GLN A 3 -4.232 -14.012 14.122 1.00 3.34 H new ATOM 49 N PHE A 4 -9.137 -10.637 11.100 1.00 13.13 N ATOM 50 CA PHE A 4 -9.009 -9.978 9.793 1.00 42.03 C ATOM 51 C PHE A 4 -7.961 -8.856 9.841 1.00 34.45 C ATOM 52 O PHE A 4 -6.975 -8.879 9.099 1.00 10.44 O ATOM 53 CB PHE A 4 -10.364 -9.413 9.344 1.00 65.42 C ATOM 54 CG PHE A 4 -10.310 -8.642 8.046 1.00 14.30 C ATOM 55 CD1 PHE A 4 -10.173 -9.305 6.836 1.00 41.22 C ATOM 56 CD2 PHE A 4 -10.395 -7.256 8.038 1.00 72.20 C ATOM 57 CE1 PHE A 4 -10.120 -8.604 5.647 1.00 42.33 C ATOM 58 CE2 PHE A 4 -10.343 -6.551 6.850 1.00 41.54 C ATOM 59 CZ PHE A 4 -10.205 -7.226 5.655 1.00 1.25 C ATOM 0 H PHE A 4 -10.086 -10.643 11.475 1.00 13.13 H new ATOM 0 HA PHE A 4 -8.679 -10.725 9.071 1.00 42.03 H new ATOM 0 HB2 PHE A 4 -11.071 -10.235 9.237 1.00 65.42 H new ATOM 0 HB3 PHE A 4 -10.751 -8.760 10.126 1.00 65.42 H new ATOM 0 HD1 PHE A 4 -10.107 -10.383 6.823 1.00 41.22 H new ATOM 0 HD2 PHE A 4 -10.503 -6.723 8.971 1.00 72.20 H new ATOM 0 HE1 PHE A 4 -10.012 -9.133 4.712 1.00 42.33 H new ATOM 0 HE2 PHE A 4 -10.410 -5.473 6.858 1.00 41.54 H new ATOM 0 HZ PHE A 4 -10.163 -6.677 4.726 1.00 1.25 H new ATOM 69 N LEU A 5 -8.176 -7.890 10.732 1.00 34.25 N ATOM 70 CA LEU A 5 -7.254 -6.762 10.888 1.00 53.43 C ATOM 71 C LEU A 5 -5.868 -7.241 11.342 1.00 43.33 C ATOM 72 O LEU A 5 -4.844 -6.784 10.832 1.00 42.33 O ATOM 73 CB LEU A 5 -7.815 -5.746 11.893 1.00 44.42 C ATOM 74 CG LEU A 5 -9.165 -5.112 11.509 1.00 1.15 C ATOM 75 CD1 LEU A 5 -9.614 -4.107 12.571 1.00 62.35 C ATOM 76 CD2 LEU A 5 -9.080 -4.445 10.137 1.00 10.33 C ATOM 0 H LEU A 5 -8.981 -7.864 11.358 1.00 34.25 H new ATOM 0 HA LEU A 5 -7.148 -6.279 9.917 1.00 53.43 H new ATOM 0 HB2 LEU A 5 -7.926 -6.239 12.859 1.00 44.42 H new ATOM 0 HB3 LEU A 5 -7.083 -4.949 12.025 1.00 44.42 H new ATOM 0 HG LEU A 5 -9.909 -5.907 11.456 1.00 1.15 H new ATOM 0 HD11 LEU A 5 -10.570 -3.672 12.279 1.00 62.35 H new ATOM 0 HD12 LEU A 5 -9.724 -4.615 13.529 1.00 62.35 H new ATOM 0 HD13 LEU A 5 -8.868 -3.317 12.663 1.00 62.35 H new ATOM 0 HD21 LEU A 5 -10.045 -4.004 9.886 1.00 10.33 H new ATOM 0 HD22 LEU A 5 -8.319 -3.665 10.158 1.00 10.33 H new ATOM 0 HD23 LEU A 5 -8.815 -5.190 9.386 1.00 10.33 H new ATOM 88 N VAL A 6 -5.849 -8.179 12.288 1.00 13.51 N ATOM 89 CA VAL A 6 -4.593 -8.739 12.805 1.00 33.35 C ATOM 90 C VAL A 6 -3.691 -9.264 11.673 1.00 23.53 C ATOM 91 O VAL A 6 -2.501 -8.946 11.617 1.00 22.15 O ATOM 92 CB VAL A 6 -4.867 -9.887 13.813 1.00 43.25 C ATOM 93 CG1 VAL A 6 -3.558 -10.502 14.308 1.00 23.42 C ATOM 94 CG2 VAL A 6 -5.708 -9.387 14.988 1.00 55.01 C ATOM 0 H VAL A 6 -6.689 -8.570 12.715 1.00 13.51 H new ATOM 0 HA VAL A 6 -4.075 -7.926 13.314 1.00 33.35 H new ATOM 0 HB VAL A 6 -5.431 -10.663 13.296 1.00 43.25 H new ATOM 0 HG11 VAL A 6 -3.777 -11.304 15.013 1.00 23.42 H new ATOM 0 HG12 VAL A 6 -3.002 -10.905 13.461 1.00 23.42 H new ATOM 0 HG13 VAL A 6 -2.961 -9.736 14.803 1.00 23.42 H new ATOM 0 HG21 VAL A 6 -5.888 -10.208 15.682 1.00 55.01 H new ATOM 0 HG22 VAL A 6 -5.175 -8.587 15.502 1.00 55.01 H new ATOM 0 HG23 VAL A 6 -6.661 -9.009 14.618 1.00 55.01 H new ATOM 104 N GLN A 7 -4.267 -10.057 10.769 1.00 12.35 N ATOM 105 CA GLN A 7 -3.504 -10.665 9.670 1.00 73.12 C ATOM 106 C GLN A 7 -3.075 -9.639 8.610 1.00 13.22 C ATOM 107 O GLN A 7 -1.887 -9.516 8.315 1.00 0.44 O ATOM 108 CB GLN A 7 -4.315 -11.791 9.016 1.00 42.10 C ATOM 109 CG GLN A 7 -4.421 -13.049 9.870 1.00 60.11 C ATOM 110 CD GLN A 7 -3.071 -13.721 10.083 1.00 62.31 C ATOM 111 OE1 GLN A 7 -2.657 -14.573 9.302 1.00 12.04 O ATOM 112 NE2 GLN A 7 -2.370 -13.338 11.132 1.00 13.11 N ATOM 0 H GLN A 7 -5.259 -10.295 10.773 1.00 12.35 H new ATOM 0 HA GLN A 7 -2.594 -11.077 10.106 1.00 73.12 H new ATOM 0 HB2 GLN A 7 -5.318 -11.425 8.799 1.00 42.10 H new ATOM 0 HB3 GLN A 7 -3.857 -12.049 8.061 1.00 42.10 H new ATOM 0 HG2 GLN A 7 -4.853 -12.793 10.837 1.00 60.11 H new ATOM 0 HG3 GLN A 7 -5.103 -13.753 9.393 1.00 60.11 H new ATOM 0 HE21 GLN A 7 -2.742 -12.627 11.762 1.00 13.11 H new ATOM 0 HE22 GLN A 7 -1.456 -13.752 11.313 1.00 13.11 H new ATOM 121 N ILE A 8 -4.035 -8.903 8.039 1.00 42.11 N ATOM 122 CA ILE A 8 -3.732 -7.954 6.957 1.00 3.14 C ATOM 123 C ILE A 8 -2.638 -6.947 7.364 1.00 31.22 C ATOM 124 O ILE A 8 -1.706 -6.694 6.600 1.00 61.32 O ATOM 125 CB ILE A 8 -4.999 -7.189 6.475 1.00 4.33 C ATOM 126 CG1 ILE A 8 -5.605 -6.346 7.609 1.00 0.33 C ATOM 127 CG2 ILE A 8 -6.032 -8.170 5.923 1.00 1.52 C ATOM 128 CD1 ILE A 8 -6.798 -5.511 7.184 1.00 52.24 C ATOM 0 H ILE A 8 -5.019 -8.944 8.303 1.00 42.11 H new ATOM 0 HA ILE A 8 -3.359 -8.554 6.127 1.00 3.14 H new ATOM 0 HB ILE A 8 -4.701 -6.508 5.677 1.00 4.33 H new ATOM 0 HG12 ILE A 8 -5.908 -7.009 8.419 1.00 0.33 H new ATOM 0 HG13 ILE A 8 -4.835 -5.686 8.009 1.00 0.33 H new ATOM 0 HG21 ILE A 8 -6.913 -7.621 5.590 1.00 1.52 H new ATOM 0 HG22 ILE A 8 -5.603 -8.714 5.082 1.00 1.52 H new ATOM 0 HG23 ILE A 8 -6.318 -8.875 6.704 1.00 1.52 H new ATOM 0 HD11 ILE A 8 -7.169 -4.945 8.039 1.00 52.24 H new ATOM 0 HD12 ILE A 8 -6.497 -4.821 6.395 1.00 52.24 H new ATOM 0 HD13 ILE A 8 -7.586 -6.166 6.812 1.00 52.24 H new ATOM 140 N PHE A 9 -2.737 -6.400 8.580 1.00 72.13 N ATOM 141 CA PHE A 9 -1.726 -5.463 9.083 1.00 54.03 C ATOM 142 C PHE A 9 -0.374 -6.168 9.290 1.00 0.31 C ATOM 143 O PHE A 9 0.678 -5.640 8.920 1.00 5.22 O ATOM 144 CB PHE A 9 -2.191 -4.814 10.398 1.00 60.24 C ATOM 145 CG PHE A 9 -3.450 -3.987 10.271 1.00 34.41 C ATOM 146 CD1 PHE A 9 -3.820 -3.424 9.056 1.00 13.44 C ATOM 147 CD2 PHE A 9 -4.257 -3.765 11.379 1.00 75.31 C ATOM 148 CE1 PHE A 9 -4.968 -2.663 8.950 1.00 50.33 C ATOM 149 CE2 PHE A 9 -5.405 -3.004 11.276 1.00 12.14 C ATOM 150 CZ PHE A 9 -5.761 -2.452 10.060 1.00 34.20 C ATOM 0 H PHE A 9 -3.500 -6.588 9.230 1.00 72.13 H new ATOM 0 HA PHE A 9 -1.596 -4.682 8.334 1.00 54.03 H new ATOM 0 HB2 PHE A 9 -2.358 -5.597 11.137 1.00 60.24 H new ATOM 0 HB3 PHE A 9 -1.391 -4.180 10.780 1.00 60.24 H new ATOM 0 HD1 PHE A 9 -3.203 -3.583 8.184 1.00 13.44 H new ATOM 0 HD2 PHE A 9 -3.984 -4.192 12.332 1.00 75.31 H new ATOM 0 HE1 PHE A 9 -5.245 -2.233 7.999 1.00 50.33 H new ATOM 0 HE2 PHE A 9 -6.024 -2.840 12.145 1.00 12.14 H new ATOM 0 HZ PHE A 9 -6.658 -1.856 9.978 1.00 34.20 H new ATOM 160 N ALA A 10 -0.413 -7.372 9.866 1.00 0.32 N ATOM 161 CA ALA A 10 0.799 -8.167 10.098 1.00 62.45 C ATOM 162 C ALA A 10 1.575 -8.411 8.795 1.00 63.43 C ATOM 163 O ALA A 10 2.805 -8.315 8.766 1.00 52.12 O ATOM 164 CB ALA A 10 0.441 -9.494 10.756 1.00 13.21 C ATOM 0 H ALA A 10 -1.273 -7.820 10.182 1.00 0.32 H new ATOM 0 HA ALA A 10 1.446 -7.599 10.767 1.00 62.45 H new ATOM 0 HB1 ALA A 10 1.349 -10.074 10.923 1.00 13.21 H new ATOM 0 HB2 ALA A 10 -0.050 -9.306 11.711 1.00 13.21 H new ATOM 0 HB3 ALA A 10 -0.232 -10.053 10.106 1.00 13.21 H new ATOM 170 N VAL A 11 0.846 -8.725 7.722 1.00 13.31 N ATOM 171 CA VAL A 11 1.451 -8.909 6.398 1.00 64.12 C ATOM 172 C VAL A 11 2.133 -7.615 5.917 1.00 42.34 C ATOM 173 O VAL A 11 3.236 -7.649 5.364 1.00 65.23 O ATOM 174 CB VAL A 11 0.398 -9.361 5.350 1.00 45.42 C ATOM 175 CG1 VAL A 11 1.038 -9.539 3.972 1.00 31.30 C ATOM 176 CG2 VAL A 11 -0.283 -10.655 5.799 1.00 41.14 C ATOM 0 H VAL A 11 -0.165 -8.858 7.743 1.00 13.31 H new ATOM 0 HA VAL A 11 2.203 -9.692 6.497 1.00 64.12 H new ATOM 0 HB VAL A 11 -0.359 -8.581 5.271 1.00 45.42 H new ATOM 0 HG11 VAL A 11 0.279 -9.856 3.257 1.00 31.30 H new ATOM 0 HG12 VAL A 11 1.471 -8.593 3.647 1.00 31.30 H new ATOM 0 HG13 VAL A 11 1.821 -10.295 4.029 1.00 31.30 H new ATOM 0 HG21 VAL A 11 -1.018 -10.957 5.053 1.00 41.14 H new ATOM 0 HG22 VAL A 11 0.465 -11.440 5.911 1.00 41.14 H new ATOM 0 HG23 VAL A 11 -0.782 -10.491 6.754 1.00 41.14 H new ATOM 186 N ILE A 12 1.479 -6.479 6.151 1.00 62.32 N ATOM 187 CA ILE A 12 2.031 -5.170 5.783 1.00 22.42 C ATOM 188 C ILE A 12 3.339 -4.868 6.547 1.00 34.32 C ATOM 189 O ILE A 12 4.274 -4.283 5.995 1.00 32.25 O ATOM 190 CB ILE A 12 1.001 -4.041 6.037 1.00 62.34 C ATOM 191 CG1 ILE A 12 -0.276 -4.292 5.217 1.00 71.32 C ATOM 192 CG2 ILE A 12 1.601 -2.679 5.699 1.00 35.04 C ATOM 193 CD1 ILE A 12 -1.384 -3.289 5.474 1.00 31.14 C ATOM 0 H ILE A 12 0.562 -6.435 6.596 1.00 62.32 H new ATOM 0 HA ILE A 12 2.258 -5.208 4.718 1.00 22.42 H new ATOM 0 HB ILE A 12 0.739 -4.042 7.095 1.00 62.34 H new ATOM 0 HG12 ILE A 12 -0.023 -4.274 4.157 1.00 71.32 H new ATOM 0 HG13 ILE A 12 -0.647 -5.292 5.440 1.00 71.32 H new ATOM 0 HG21 ILE A 12 0.862 -1.900 5.884 1.00 35.04 H new ATOM 0 HG22 ILE A 12 2.478 -2.503 6.322 1.00 35.04 H new ATOM 0 HG23 ILE A 12 1.893 -2.660 4.649 1.00 35.04 H new ATOM 0 HD11 ILE A 12 -2.248 -3.536 4.858 1.00 31.14 H new ATOM 0 HD12 ILE A 12 -1.667 -3.321 6.526 1.00 31.14 H new ATOM 0 HD13 ILE A 12 -1.034 -2.288 5.223 1.00 31.14 H new ATOM 205 N HIS A 13 3.408 -5.279 7.815 1.00 20.03 N ATOM 206 CA HIS A 13 4.642 -5.133 8.609 1.00 52.32 C ATOM 207 C HIS A 13 5.800 -5.968 8.028 1.00 60.31 C ATOM 208 O HIS A 13 6.972 -5.695 8.301 1.00 30.30 O ATOM 209 CB HIS A 13 4.408 -5.538 10.074 1.00 25.12 C ATOM 210 CG HIS A 13 3.600 -4.552 10.864 1.00 11.24 C ATOM 211 ND1 HIS A 13 4.158 -3.388 11.334 1.00 54.44 N ATOM 212 CD2 HIS A 13 2.305 -4.608 11.256 1.00 74.02 C ATOM 213 CE1 HIS A 13 3.200 -2.765 11.993 1.00 44.53 C ATOM 214 NE2 HIS A 13 2.058 -3.466 11.978 1.00 0.24 N ATOM 0 H HIS A 13 2.633 -5.713 8.316 1.00 20.03 H new ATOM 0 HA HIS A 13 4.919 -4.080 8.566 1.00 52.32 H new ATOM 0 HB2 HIS A 13 3.904 -6.504 10.096 1.00 25.12 H new ATOM 0 HB3 HIS A 13 5.374 -5.672 10.561 1.00 25.12 H new ATOM 0 HD2 HIS A 13 1.601 -5.399 11.042 1.00 74.02 H new ATOM 0 HE1 HIS A 13 3.321 -1.810 12.483 1.00 44.53 H new ATOM 0 HE2 HIS A 13 1.176 -3.203 12.418 1.00 0.24 H new ATOM 222 N GLN A 14 5.466 -6.984 7.229 1.00 23.22 N ATOM 223 CA GLN A 14 6.471 -7.875 6.628 1.00 61.23 C ATOM 224 C GLN A 14 7.031 -7.314 5.308 1.00 23.21 C ATOM 225 O GLN A 14 7.986 -7.859 4.753 1.00 52.24 O ATOM 226 CB GLN A 14 5.858 -9.263 6.382 1.00 31.53 C ATOM 227 CG GLN A 14 5.418 -9.976 7.658 1.00 35.52 C ATOM 228 CD GLN A 14 4.729 -11.310 7.399 1.00 44.12 C ATOM 229 OE1 GLN A 14 4.012 -11.419 6.295 1.00 22.21 O flip ATOM 230 NE2 GLN A 14 4.825 -12.236 8.198 1.00 11.41 N flip ATOM 0 H GLN A 14 4.504 -7.214 6.980 1.00 23.22 H new ATOM 0 HA GLN A 14 7.300 -7.952 7.331 1.00 61.23 H new ATOM 0 HB2 GLN A 14 4.998 -9.158 5.720 1.00 31.53 H new ATOM 0 HB3 GLN A 14 6.587 -9.885 5.862 1.00 31.53 H new ATOM 0 HG2 GLN A 14 6.289 -10.143 8.291 1.00 35.52 H new ATOM 0 HG3 GLN A 14 4.740 -9.327 8.213 1.00 35.52 H new ATOM 0 HE21 GLN A 14 5.386 -12.125 9.043 1.00 11.41 H new ATOM 0 HE22 GLN A 14 4.344 -13.117 8.017 1.00 11.41 H new ATOM 239 N ILE A 15 6.437 -6.229 4.809 1.00 41.13 N ATOM 240 CA ILE A 15 6.867 -5.632 3.535 1.00 34.53 C ATOM 241 C ILE A 15 8.275 -5.006 3.642 1.00 74.00 C ATOM 242 O ILE A 15 8.542 -4.210 4.549 1.00 72.41 O ATOM 243 CB ILE A 15 5.872 -4.542 3.052 1.00 43.34 C ATOM 244 CG1 ILE A 15 4.439 -5.097 2.990 1.00 14.12 C ATOM 245 CG2 ILE A 15 6.291 -3.993 1.686 1.00 44.15 C ATOM 246 CD1 ILE A 15 4.260 -6.247 2.023 1.00 30.01 C ATOM 0 H ILE A 15 5.661 -5.745 5.261 1.00 41.13 H new ATOM 0 HA ILE A 15 6.892 -6.446 2.811 1.00 34.53 H new ATOM 0 HB ILE A 15 5.892 -3.725 3.773 1.00 43.34 H new ATOM 0 HG12 ILE A 15 4.146 -5.426 3.987 1.00 14.12 H new ATOM 0 HG13 ILE A 15 3.761 -4.291 2.708 1.00 14.12 H new ATOM 0 HG21 ILE A 15 5.580 -3.231 1.367 1.00 44.15 H new ATOM 0 HG22 ILE A 15 7.286 -3.553 1.760 1.00 44.15 H new ATOM 0 HG23 ILE A 15 6.306 -4.803 0.957 1.00 44.15 H new ATOM 0 HD11 ILE A 15 3.222 -6.579 2.040 1.00 30.01 H new ATOM 0 HD12 ILE A 15 4.519 -5.920 1.016 1.00 30.01 H new ATOM 0 HD13 ILE A 15 4.910 -7.072 2.315 1.00 30.01 H new ATOM 258 N PRO A 16 9.202 -5.375 2.730 1.00 63.54 N ATOM 259 CA PRO A 16 10.538 -4.749 2.649 1.00 15.31 C ATOM 260 C PRO A 16 10.471 -3.247 2.310 1.00 23.20 C ATOM 261 O PRO A 16 9.554 -2.792 1.624 1.00 3.21 O ATOM 262 CB PRO A 16 11.231 -5.528 1.515 1.00 14.13 C ATOM 263 CG PRO A 16 10.460 -6.800 1.393 1.00 53.33 C ATOM 264 CD PRO A 16 9.041 -6.444 1.734 1.00 51.50 C ATOM 0 HA PRO A 16 11.064 -4.797 3.602 1.00 15.31 H new ATOM 0 HB2 PRO A 16 11.214 -4.965 0.582 1.00 14.13 H new ATOM 0 HB3 PRO A 16 12.277 -5.722 1.751 1.00 14.13 H new ATOM 0 HG2 PRO A 16 10.531 -7.207 0.384 1.00 53.33 H new ATOM 0 HG3 PRO A 16 10.848 -7.560 2.071 1.00 53.33 H new ATOM 0 HD2 PRO A 16 8.489 -6.101 0.859 1.00 51.50 H new ATOM 0 HD3 PRO A 16 8.497 -7.297 2.140 1.00 51.50 H new ATOM 272 N LYS A 17 11.464 -2.485 2.769 1.00 4.15 N ATOM 273 CA LYS A 17 11.470 -1.038 2.608 1.00 63.11 C ATOM 274 C LYS A 17 11.684 -0.649 1.132 1.00 13.51 C ATOM 275 O LYS A 17 12.677 -1.037 0.505 1.00 64.24 O ATOM 276 CB LYS A 17 12.557 -0.442 3.529 1.00 21.23 C ATOM 277 CG LYS A 17 12.457 1.068 3.747 1.00 32.22 C ATOM 278 CD LYS A 17 12.955 1.855 2.542 1.00 14.32 C ATOM 279 CE LYS A 17 14.478 1.839 2.432 1.00 1.44 C ATOM 280 NZ LYS A 17 14.963 2.682 1.305 1.00 72.43 N ATOM 0 H LYS A 17 12.279 -2.854 3.259 1.00 4.15 H new ATOM 0 HA LYS A 17 10.502 -0.628 2.897 1.00 63.11 H new ATOM 0 HB2 LYS A 17 12.505 -0.939 4.498 1.00 21.23 H new ATOM 0 HB3 LYS A 17 13.536 -0.670 3.107 1.00 21.23 H new ATOM 0 HG2 LYS A 17 11.421 1.336 3.952 1.00 32.22 H new ATOM 0 HG3 LYS A 17 13.038 1.346 4.626 1.00 32.22 H new ATOM 0 HD2 LYS A 17 12.522 1.437 1.633 1.00 14.32 H new ATOM 0 HD3 LYS A 17 12.608 2.886 2.615 1.00 14.32 H new ATOM 0 HE2 LYS A 17 14.913 2.196 3.366 1.00 1.44 H new ATOM 0 HE3 LYS A 17 14.821 0.814 2.292 1.00 1.44 H new ATOM 0 HZ1 LYS A 17 15.313 2.071 0.540 1.00 72.43 H new ATOM 0 HZ2 LYS A 17 14.182 3.269 0.949 1.00 72.43 H new ATOM 0 HZ3 LYS A 17 15.734 3.296 1.637 1.00 72.43 H new ATOM 294 N GLY A 18 10.746 0.120 0.582 1.00 24.13 N ATOM 295 CA GLY A 18 10.843 0.555 -0.808 1.00 25.31 C ATOM 296 C GLY A 18 10.001 -0.275 -1.777 1.00 43.11 C ATOM 297 O GLY A 18 9.770 0.142 -2.913 1.00 62.53 O ATOM 0 H GLY A 18 9.917 0.452 1.074 1.00 24.13 H new ATOM 0 HA2 GLY A 18 10.533 1.598 -0.874 1.00 25.31 H new ATOM 0 HA3 GLY A 18 11.887 0.512 -1.120 1.00 25.31 H new ATOM 301 N LYS A 19 9.553 -1.451 -1.342 1.00 42.14 N ATOM 302 CA LYS A 19 8.712 -2.313 -2.182 1.00 2.34 C ATOM 303 C LYS A 19 7.223 -2.106 -1.872 1.00 65.52 C ATOM 304 O LYS A 19 6.837 -1.926 -0.717 1.00 32.55 O ATOM 305 CB LYS A 19 9.088 -3.788 -1.982 1.00 3.14 C ATOM 306 CG LYS A 19 10.470 -4.164 -2.522 1.00 54.13 C ATOM 307 CD LYS A 19 10.587 -3.898 -4.025 1.00 51.35 C ATOM 308 CE LYS A 19 11.876 -4.471 -4.618 1.00 2.25 C ATOM 309 NZ LYS A 19 13.099 -3.913 -3.979 1.00 53.22 N ATOM 0 H LYS A 19 9.755 -1.831 -0.417 1.00 42.14 H new ATOM 0 HA LYS A 19 8.887 -2.038 -3.222 1.00 2.34 H new ATOM 0 HB2 LYS A 19 9.052 -4.019 -0.917 1.00 3.14 H new ATOM 0 HB3 LYS A 19 8.338 -4.411 -2.469 1.00 3.14 H new ATOM 0 HG2 LYS A 19 11.234 -3.595 -1.992 1.00 54.13 H new ATOM 0 HG3 LYS A 19 10.663 -5.218 -2.324 1.00 54.13 H new ATOM 0 HD2 LYS A 19 9.729 -4.334 -4.537 1.00 51.35 H new ATOM 0 HD3 LYS A 19 10.553 -2.824 -4.205 1.00 51.35 H new ATOM 0 HE2 LYS A 19 11.873 -5.555 -4.504 1.00 2.25 H new ATOM 0 HE3 LYS A 19 11.903 -4.263 -5.688 1.00 2.25 H new ATOM 0 HZ1 LYS A 19 13.943 -4.282 -4.462 1.00 53.22 H new ATOM 0 HZ2 LYS A 19 13.085 -2.876 -4.050 1.00 53.22 H new ATOM 0 HZ3 LYS A 19 13.125 -4.191 -2.977 1.00 53.22 H new ATOM 323 N VAL A 20 6.388 -2.138 -2.910 1.00 23.11 N ATOM 324 CA VAL A 20 4.943 -1.929 -2.753 1.00 71.23 C ATOM 325 C VAL A 20 4.122 -3.099 -3.323 1.00 43.31 C ATOM 326 O VAL A 20 4.630 -3.926 -4.087 1.00 15.31 O ATOM 327 CB VAL A 20 4.485 -0.611 -3.432 1.00 10.45 C ATOM 328 CG1 VAL A 20 5.136 0.600 -2.764 1.00 54.43 C ATOM 329 CG2 VAL A 20 4.786 -0.635 -4.931 1.00 63.33 C ATOM 0 H VAL A 20 6.685 -2.307 -3.871 1.00 23.11 H new ATOM 0 HA VAL A 20 4.761 -1.866 -1.680 1.00 71.23 H new ATOM 0 HB VAL A 20 3.406 -0.525 -3.308 1.00 10.45 H new ATOM 0 HG11 VAL A 20 4.800 1.512 -3.257 1.00 54.43 H new ATOM 0 HG12 VAL A 20 4.853 0.631 -1.712 1.00 54.43 H new ATOM 0 HG13 VAL A 20 6.220 0.522 -2.846 1.00 54.43 H new ATOM 0 HG21 VAL A 20 4.455 0.300 -5.383 1.00 63.33 H new ATOM 0 HG22 VAL A 20 5.859 -0.753 -5.085 1.00 63.33 H new ATOM 0 HG23 VAL A 20 4.259 -1.469 -5.395 1.00 63.33 H new ATOM 339 N SER A 21 2.849 -3.155 -2.942 1.00 4.21 N ATOM 340 CA SER A 21 1.930 -4.201 -3.416 1.00 24.43 C ATOM 341 C SER A 21 0.482 -3.690 -3.429 1.00 53.13 C ATOM 342 O SER A 21 0.217 -2.533 -3.093 1.00 4.50 O ATOM 343 CB SER A 21 2.036 -5.456 -2.535 1.00 41.32 C ATOM 344 OG SER A 21 1.672 -5.181 -1.193 1.00 63.33 O ATOM 0 H SER A 21 2.422 -2.486 -2.302 1.00 4.21 H new ATOM 0 HA SER A 21 2.216 -4.462 -4.435 1.00 24.43 H new ATOM 0 HB2 SER A 21 1.391 -6.238 -2.935 1.00 41.32 H new ATOM 0 HB3 SER A 21 3.056 -5.838 -2.565 1.00 41.32 H new ATOM 0 HG SER A 21 2.364 -5.524 -0.590 1.00 63.33 H new ATOM 350 N THR A 22 -0.455 -4.551 -3.825 1.00 51.11 N ATOM 351 CA THR A 22 -1.871 -4.160 -3.924 1.00 42.31 C ATOM 352 C THR A 22 -2.728 -4.788 -2.815 1.00 65.33 C ATOM 353 O THR A 22 -2.355 -5.802 -2.214 1.00 44.02 O ATOM 354 CB THR A 22 -2.471 -4.550 -5.295 1.00 60.11 C ATOM 355 OG1 THR A 22 -2.587 -5.976 -5.402 1.00 12.24 O ATOM 356 CG2 THR A 22 -1.603 -4.025 -6.435 1.00 72.03 C ATOM 0 H THR A 22 -0.266 -5.520 -4.082 1.00 51.11 H new ATOM 0 HA THR A 22 -1.889 -3.076 -3.810 1.00 42.31 H new ATOM 0 HB THR A 22 -3.461 -4.100 -5.368 1.00 60.11 H new ATOM 0 HG1 THR A 22 -2.969 -6.209 -6.274 1.00 12.24 H new ATOM 0 HG21 THR A 22 -2.044 -4.311 -7.390 1.00 72.03 H new ATOM 0 HG22 THR A 22 -1.541 -2.938 -6.375 1.00 72.03 H new ATOM 0 HG23 THR A 22 -0.602 -4.450 -6.356 1.00 72.03 H new ATOM 364 N TYR A 23 -3.889 -4.176 -2.559 1.00 42.23 N ATOM 365 CA TYR A 23 -4.823 -4.641 -1.518 1.00 33.05 C ATOM 366 C TYR A 23 -5.163 -6.133 -1.673 1.00 40.13 C ATOM 367 O TYR A 23 -5.170 -6.887 -0.696 1.00 72.54 O ATOM 368 CB TYR A 23 -6.117 -3.813 -1.562 1.00 30.10 C ATOM 369 CG TYR A 23 -5.891 -2.311 -1.490 1.00 14.53 C ATOM 370 CD1 TYR A 23 -5.549 -1.697 -0.291 1.00 21.14 C ATOM 371 CD2 TYR A 23 -6.017 -1.511 -2.621 1.00 34.33 C ATOM 372 CE1 TYR A 23 -5.336 -0.333 -0.221 1.00 24.43 C ATOM 373 CE2 TYR A 23 -5.805 -0.146 -2.558 1.00 71.32 C ATOM 374 CZ TYR A 23 -5.465 0.437 -1.356 1.00 73.25 C ATOM 375 OH TYR A 23 -5.252 1.795 -1.290 1.00 61.35 O ATOM 0 H TYR A 23 -4.210 -3.349 -3.062 1.00 42.23 H new ATOM 0 HA TYR A 23 -4.329 -4.508 -0.556 1.00 33.05 H new ATOM 0 HB2 TYR A 23 -6.654 -4.046 -2.481 1.00 30.10 H new ATOM 0 HB3 TYR A 23 -6.758 -4.114 -0.733 1.00 30.10 H new ATOM 0 HD1 TYR A 23 -5.448 -2.296 0.602 1.00 21.14 H new ATOM 0 HD2 TYR A 23 -6.285 -1.964 -3.564 1.00 34.33 H new ATOM 0 HE1 TYR A 23 -5.070 0.127 0.719 1.00 24.43 H new ATOM 0 HE2 TYR A 23 -5.905 0.460 -3.446 1.00 71.32 H new ATOM 0 HH TYR A 23 -4.303 1.969 -1.117 1.00 61.35 H new ATOM 385 N GLY A 24 -5.445 -6.547 -2.909 1.00 4.42 N ATOM 386 CA GLY A 24 -5.791 -7.937 -3.179 1.00 11.23 C ATOM 387 C GLY A 24 -4.676 -8.913 -2.821 1.00 72.44 C ATOM 388 O GLY A 24 -4.927 -9.968 -2.239 1.00 32.31 O ATOM 0 H GLY A 24 -5.440 -5.943 -3.731 1.00 4.42 H new ATOM 0 HA2 GLY A 24 -6.688 -8.197 -2.617 1.00 11.23 H new ATOM 0 HA3 GLY A 24 -6.035 -8.045 -4.236 1.00 11.23 H new ATOM 392 N GLU A 25 -3.438 -8.556 -3.159 1.00 62.12 N ATOM 393 CA GLU A 25 -2.281 -9.407 -2.859 1.00 32.15 C ATOM 394 C GLU A 25 -2.082 -9.568 -1.344 1.00 34.03 C ATOM 395 O GLU A 25 -1.898 -10.682 -0.847 1.00 20.24 O ATOM 396 CB GLU A 25 -1.021 -8.827 -3.514 1.00 64.24 C ATOM 397 CG GLU A 25 -1.137 -8.714 -5.031 1.00 12.11 C ATOM 398 CD GLU A 25 0.076 -8.070 -5.685 1.00 20.12 C ATOM 399 OE1 GLU A 25 0.281 -6.854 -5.494 1.00 34.33 O ATOM 400 OE2 GLU A 25 0.819 -8.775 -6.404 1.00 34.34 O ATOM 0 H GLU A 25 -3.208 -7.686 -3.640 1.00 62.12 H new ATOM 0 HA GLU A 25 -2.470 -10.398 -3.271 1.00 32.15 H new ATOM 0 HB2 GLU A 25 -0.822 -7.840 -3.096 1.00 64.24 H new ATOM 0 HB3 GLU A 25 -0.166 -9.457 -3.266 1.00 64.24 H new ATOM 0 HG2 GLU A 25 -1.281 -9.709 -5.452 1.00 12.11 H new ATOM 0 HG3 GLU A 25 -2.025 -8.132 -5.277 1.00 12.11 H new ATOM 407 N ILE A 26 -2.135 -8.453 -0.610 1.00 33.22 N ATOM 408 CA ILE A 26 -2.064 -8.493 0.857 1.00 15.33 C ATOM 409 C ILE A 26 -3.142 -9.429 1.425 1.00 43.03 C ATOM 410 O ILE A 26 -2.883 -10.219 2.336 1.00 53.10 O ATOM 411 CB ILE A 26 -2.233 -7.079 1.478 1.00 72.15 C ATOM 412 CG1 ILE A 26 -1.103 -6.145 1.009 1.00 32.13 C ATOM 413 CG2 ILE A 26 -2.279 -7.148 3.008 1.00 42.12 C ATOM 414 CD1 ILE A 26 0.283 -6.593 1.429 1.00 33.33 C ATOM 0 H ILE A 26 -2.226 -7.516 -1.003 1.00 33.22 H new ATOM 0 HA ILE A 26 -1.076 -8.871 1.121 1.00 15.33 H new ATOM 0 HB ILE A 26 -3.184 -6.672 1.134 1.00 72.15 H new ATOM 0 HG12 ILE A 26 -1.135 -6.070 -0.078 1.00 32.13 H new ATOM 0 HG13 ILE A 26 -1.285 -5.145 1.403 1.00 32.13 H new ATOM 0 HG21 ILE A 26 -2.398 -6.143 3.414 1.00 42.12 H new ATOM 0 HG22 ILE A 26 -3.120 -7.767 3.319 1.00 42.12 H new ATOM 0 HG23 ILE A 26 -1.351 -7.583 3.381 1.00 42.12 H new ATOM 0 HD11 ILE A 26 1.022 -5.882 1.060 1.00 33.33 H new ATOM 0 HD12 ILE A 26 0.336 -6.640 2.517 1.00 33.33 H new ATOM 0 HD13 ILE A 26 0.488 -7.579 1.013 1.00 33.33 H new ATOM 426 N ALA A 27 -4.344 -9.343 0.858 1.00 32.42 N ATOM 427 CA ALA A 27 -5.455 -10.216 1.242 1.00 3.32 C ATOM 428 C ALA A 27 -5.138 -11.697 0.965 1.00 13.34 C ATOM 429 O ALA A 27 -5.555 -12.574 1.720 1.00 51.44 O ATOM 430 CB ALA A 27 -6.726 -9.799 0.511 1.00 50.43 C ATOM 0 H ALA A 27 -4.576 -8.672 0.125 1.00 32.42 H new ATOM 0 HA ALA A 27 -5.607 -10.109 2.316 1.00 3.32 H new ATOM 0 HB1 ALA A 27 -7.546 -10.455 0.804 1.00 50.43 H new ATOM 0 HB2 ALA A 27 -6.974 -8.770 0.771 1.00 50.43 H new ATOM 0 HB3 ALA A 27 -6.568 -9.874 -0.565 1.00 50.43 H new ATOM 436 N LYS A 28 -4.398 -11.970 -0.114 1.00 54.32 N ATOM 437 CA LYS A 28 -4.001 -13.348 -0.451 1.00 12.35 C ATOM 438 C LYS A 28 -3.177 -13.989 0.676 1.00 53.31 C ATOM 439 O LYS A 28 -3.552 -15.032 1.214 1.00 13.13 O ATOM 440 CB LYS A 28 -3.198 -13.392 -1.760 1.00 31.40 C ATOM 441 CG LYS A 28 -3.986 -12.967 -2.996 1.00 52.01 C ATOM 442 CD LYS A 28 -3.176 -13.178 -4.273 1.00 24.43 C ATOM 443 CE LYS A 28 -3.947 -12.754 -5.517 1.00 73.25 C ATOM 444 NZ LYS A 28 -3.186 -13.041 -6.761 1.00 25.00 N ATOM 0 H LYS A 28 -4.062 -11.263 -0.768 1.00 54.32 H new ATOM 0 HA LYS A 28 -4.921 -13.918 -0.580 1.00 12.35 H new ATOM 0 HB2 LYS A 28 -2.326 -12.745 -1.659 1.00 31.40 H new ATOM 0 HB3 LYS A 28 -2.827 -14.406 -1.911 1.00 31.40 H new ATOM 0 HG2 LYS A 28 -4.913 -13.538 -3.053 1.00 52.01 H new ATOM 0 HG3 LYS A 28 -4.264 -11.917 -2.909 1.00 52.01 H new ATOM 0 HD2 LYS A 28 -2.248 -12.610 -4.211 1.00 24.43 H new ATOM 0 HD3 LYS A 28 -2.901 -14.229 -4.358 1.00 24.43 H new ATOM 0 HE2 LYS A 28 -4.904 -13.276 -5.547 1.00 73.25 H new ATOM 0 HE3 LYS A 28 -4.167 -11.688 -5.463 1.00 73.25 H new ATOM 0 HZ1 LYS A 28 -3.743 -12.739 -7.586 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 -2.284 -12.523 -6.743 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 -2.998 -14.062 -6.825 1.00 25.00 H new ATOM 458 N MET A 29 -2.050 -13.368 1.034 1.00 44.23 N ATOM 459 CA MET A 29 -1.211 -13.890 2.125 1.00 52.43 C ATOM 460 C MET A 29 -1.940 -13.822 3.477 1.00 14.52 C ATOM 461 O MET A 29 -1.725 -14.664 4.351 1.00 52.50 O ATOM 462 CB MET A 29 0.133 -13.152 2.211 1.00 62.34 C ATOM 463 CG MET A 29 1.054 -13.407 1.019 1.00 60.01 C ATOM 464 SD MET A 29 0.571 -12.490 -0.456 1.00 21.51 S ATOM 465 CE MET A 29 0.941 -10.818 0.067 1.00 62.01 C ATOM 0 H MET A 29 -1.698 -12.517 0.595 1.00 44.23 H new ATOM 0 HA MET A 29 -1.010 -14.936 1.894 1.00 52.43 H new ATOM 0 HB2 MET A 29 -0.055 -12.081 2.290 1.00 62.34 H new ATOM 0 HB3 MET A 29 0.645 -13.454 3.125 1.00 62.34 H new ATOM 0 HG2 MET A 29 2.074 -13.135 1.291 1.00 60.01 H new ATOM 0 HG3 MET A 29 1.058 -14.473 0.792 1.00 60.01 H new ATOM 0 HE1 MET A 29 1.078 -10.184 -0.809 1.00 62.01 H new ATOM 0 HE2 MET A 29 0.116 -10.434 0.668 1.00 62.01 H new ATOM 0 HE3 MET A 29 1.854 -10.817 0.662 1.00 62.01 H new ATOM 475 N ALA A 30 -2.805 -12.822 3.644 1.00 72.23 N ATOM 476 CA ALA A 30 -3.605 -12.690 4.868 1.00 74.50 C ATOM 477 C ALA A 30 -4.654 -13.807 4.985 1.00 33.13 C ATOM 478 O ALA A 30 -5.010 -14.226 6.088 1.00 20.15 O ATOM 479 CB ALA A 30 -4.281 -11.324 4.915 1.00 44.54 C ATOM 0 H ALA A 30 -2.972 -12.092 2.951 1.00 72.23 H new ATOM 0 HA ALA A 30 -2.927 -12.782 5.716 1.00 74.50 H new ATOM 0 HB1 ALA A 30 -4.870 -11.241 5.828 1.00 44.54 H new ATOM 0 HB2 ALA A 30 -3.522 -10.542 4.901 1.00 44.54 H new ATOM 0 HB3 ALA A 30 -4.934 -11.211 4.050 1.00 44.54 H new ATOM 485 N GLY A 31 -5.135 -14.293 3.840 1.00 52.55 N ATOM 486 CA GLY A 31 -6.133 -15.361 3.826 1.00 2.43 C ATOM 487 C GLY A 31 -7.568 -14.848 3.724 1.00 44.14 C ATOM 488 O GLY A 31 -8.500 -15.478 4.230 1.00 20.53 O ATOM 0 H GLY A 31 -4.851 -13.966 2.916 1.00 52.55 H new ATOM 0 HA2 GLY A 31 -5.932 -16.025 2.986 1.00 2.43 H new ATOM 0 HA3 GLY A 31 -6.031 -15.956 4.734 1.00 2.43 H new ATOM 492 N TYR A 32 -7.746 -13.701 3.060 1.00 44.45 N ATOM 493 CA TYR A 32 -9.076 -13.089 2.887 1.00 33.31 C ATOM 494 C TYR A 32 -9.291 -12.538 1.454 1.00 51.45 C ATOM 495 O TYR A 32 -9.589 -11.352 1.279 1.00 2.44 O ATOM 496 CB TYR A 32 -9.264 -11.944 3.899 1.00 14.13 C ATOM 497 CG TYR A 32 -8.985 -12.327 5.343 1.00 23.13 C ATOM 498 CD1 TYR A 32 -9.929 -13.009 6.106 1.00 53.03 C ATOM 499 CD2 TYR A 32 -7.772 -12.002 5.944 1.00 40.41 C ATOM 500 CE1 TYR A 32 -9.670 -13.355 7.421 1.00 25.52 C ATOM 501 CE2 TYR A 32 -7.508 -12.346 7.255 1.00 21.43 C ATOM 502 CZ TYR A 32 -8.458 -13.021 7.989 1.00 62.15 C ATOM 503 OH TYR A 32 -8.194 -13.365 9.299 1.00 22.02 O ATOM 0 H TYR A 32 -6.986 -13.173 2.631 1.00 44.45 H new ATOM 0 HA TYR A 32 -9.812 -13.874 3.059 1.00 33.31 H new ATOM 0 HB2 TYR A 32 -8.607 -11.119 3.622 1.00 14.13 H new ATOM 0 HB3 TYR A 32 -10.287 -11.575 3.825 1.00 14.13 H new ATOM 0 HD1 TYR A 32 -10.879 -13.272 5.665 1.00 53.03 H new ATOM 0 HD2 TYR A 32 -7.024 -11.471 5.374 1.00 40.41 H new ATOM 0 HE1 TYR A 32 -10.413 -13.884 7.999 1.00 25.52 H new ATOM 0 HE2 TYR A 32 -6.560 -12.087 7.703 1.00 21.43 H new ATOM 0 HH TYR A 32 -7.524 -12.753 9.669 1.00 22.02 H new ATOM 513 N PRO A 33 -9.156 -13.379 0.405 1.00 15.34 N ATOM 514 CA PRO A 33 -9.399 -12.946 -0.986 1.00 3.25 C ATOM 515 C PRO A 33 -10.826 -12.398 -1.193 1.00 33.33 C ATOM 516 O PRO A 33 -11.813 -13.023 -0.789 1.00 4.31 O ATOM 517 CB PRO A 33 -9.180 -14.230 -1.805 1.00 34.31 C ATOM 518 CG PRO A 33 -8.331 -15.096 -0.935 1.00 10.12 C ATOM 519 CD PRO A 33 -8.759 -14.796 0.475 1.00 73.24 C ATOM 0 HA PRO A 33 -8.743 -12.126 -1.278 1.00 3.25 H new ATOM 0 HB2 PRO A 33 -10.127 -14.715 -2.042 1.00 34.31 H new ATOM 0 HB3 PRO A 33 -8.686 -14.016 -2.753 1.00 34.31 H new ATOM 0 HG2 PRO A 33 -8.474 -16.150 -1.172 1.00 10.12 H new ATOM 0 HG3 PRO A 33 -7.273 -14.878 -1.078 1.00 10.12 H new ATOM 0 HD2 PRO A 33 -9.586 -15.432 0.790 1.00 73.24 H new ATOM 0 HD3 PRO A 33 -7.948 -14.953 1.186 1.00 73.24 H new ATOM 527 N GLY A 34 -10.928 -11.227 -1.826 1.00 2.41 N ATOM 528 CA GLY A 34 -12.224 -10.577 -2.020 1.00 41.10 C ATOM 529 C GLY A 34 -12.507 -9.481 -0.996 1.00 11.23 C ATOM 530 O GLY A 34 -13.483 -8.740 -1.123 1.00 73.44 O ATOM 0 H GLY A 34 -10.135 -10.714 -2.210 1.00 2.41 H new ATOM 0 HA2 GLY A 34 -12.262 -10.148 -3.021 1.00 41.10 H new ATOM 0 HA3 GLY A 34 -13.012 -11.328 -1.965 1.00 41.10 H new ATOM 534 N TYR A 35 -11.661 -9.378 0.027 1.00 73.11 N ATOM 535 CA TYR A 35 -11.796 -8.334 1.054 1.00 54.35 C ATOM 536 C TYR A 35 -10.805 -7.178 0.821 1.00 73.50 C ATOM 537 O TYR A 35 -10.533 -6.391 1.727 1.00 74.11 O ATOM 538 CB TYR A 35 -11.581 -8.938 2.450 1.00 60.55 C ATOM 539 CG TYR A 35 -12.645 -9.941 2.863 1.00 14.21 C ATOM 540 CD1 TYR A 35 -12.539 -11.287 2.520 1.00 4.13 C ATOM 541 CD2 TYR A 35 -13.753 -9.542 3.604 1.00 3.43 C ATOM 542 CE1 TYR A 35 -13.503 -12.200 2.902 1.00 35.42 C ATOM 543 CE2 TYR A 35 -14.720 -10.450 3.987 1.00 3.33 C ATOM 544 CZ TYR A 35 -14.591 -11.777 3.635 1.00 11.23 C ATOM 545 OH TYR A 35 -15.553 -12.686 4.018 1.00 5.23 O ATOM 0 H TYR A 35 -10.870 -10.005 0.171 1.00 73.11 H new ATOM 0 HA TYR A 35 -12.805 -7.927 0.986 1.00 54.35 H new ATOM 0 HB2 TYR A 35 -10.607 -9.426 2.477 1.00 60.55 H new ATOM 0 HB3 TYR A 35 -11.553 -8.131 3.183 1.00 60.55 H new ATOM 0 HD1 TYR A 35 -11.688 -11.623 1.945 1.00 4.13 H new ATOM 0 HD2 TYR A 35 -13.858 -8.504 3.884 1.00 3.43 H new ATOM 0 HE1 TYR A 35 -13.405 -13.240 2.628 1.00 35.42 H new ATOM 0 HE2 TYR A 35 -15.575 -10.122 4.560 1.00 3.33 H new ATOM 0 HH TYR A 35 -16.252 -12.227 4.529 1.00 5.23 H new ATOM 555 N ALA A 36 -10.301 -7.064 -0.409 1.00 61.12 N ATOM 556 CA ALA A 36 -9.302 -6.043 -0.763 1.00 61.31 C ATOM 557 C ALA A 36 -9.754 -4.619 -0.383 1.00 51.40 C ATOM 558 O ALA A 36 -8.999 -3.861 0.231 1.00 32.34 O ATOM 559 CB ALA A 36 -8.995 -6.119 -2.253 1.00 23.34 C ATOM 0 H ALA A 36 -10.568 -7.669 -1.185 1.00 61.12 H new ATOM 0 HA ALA A 36 -8.400 -6.254 -0.188 1.00 61.31 H new ATOM 0 HB1 ALA A 36 -8.255 -5.361 -2.511 1.00 23.34 H new ATOM 0 HB2 ALA A 36 -8.602 -7.107 -2.494 1.00 23.34 H new ATOM 0 HB3 ALA A 36 -9.908 -5.943 -2.822 1.00 23.34 H new ATOM 565 N ARG A 37 -10.984 -4.259 -0.757 1.00 2.32 N ATOM 566 CA ARG A 37 -11.532 -2.936 -0.430 1.00 52.24 C ATOM 567 C ARG A 37 -11.654 -2.737 1.090 1.00 71.04 C ATOM 568 O ARG A 37 -11.479 -1.626 1.592 1.00 44.15 O ATOM 569 CB ARG A 37 -12.898 -2.733 -1.103 1.00 41.10 C ATOM 570 CG ARG A 37 -13.498 -1.347 -0.864 1.00 43.52 C ATOM 571 CD ARG A 37 -14.812 -1.148 -1.611 1.00 44.52 C ATOM 572 NE ARG A 37 -14.642 -1.219 -3.063 1.00 52.21 N ATOM 573 CZ ARG A 37 -15.469 -0.691 -3.924 1.00 12.43 C ATOM 574 NH1 ARG A 37 -16.516 -0.045 -3.523 1.00 22.54 N ATOM 575 NH2 ARG A 37 -15.243 -0.808 -5.189 1.00 34.03 N ATOM 0 H ARG A 37 -11.618 -4.860 -1.284 1.00 2.32 H new ATOM 0 HA ARG A 37 -10.836 -2.189 -0.813 1.00 52.24 H new ATOM 0 HB2 ARG A 37 -12.793 -2.894 -2.176 1.00 41.10 H new ATOM 0 HB3 ARG A 37 -13.591 -3.489 -0.734 1.00 41.10 H new ATOM 0 HG2 ARG A 37 -13.665 -1.205 0.204 1.00 43.52 H new ATOM 0 HG3 ARG A 37 -12.785 -0.586 -1.179 1.00 43.52 H new ATOM 0 HD2 ARG A 37 -15.526 -1.908 -1.294 1.00 44.52 H new ATOM 0 HD3 ARG A 37 -15.236 -0.180 -1.344 1.00 44.52 H new ATOM 0 HE ARG A 37 -13.826 -1.712 -3.425 1.00 52.21 H new ATOM 0 HH11 ARG A 37 -16.702 0.056 -2.525 1.00 22.54 H new ATOM 0 HH12 ARG A 37 -17.155 0.363 -4.205 1.00 22.54 H new ATOM 0 HH21 ARG A 37 -14.419 -1.313 -5.515 1.00 34.03 H new ATOM 0 HH22 ARG A 37 -15.889 -0.396 -5.863 1.00 34.03 H new ATOM 589 N HIS A 38 -11.940 -3.818 1.819 1.00 12.34 N ATOM 590 CA HIS A 38 -12.036 -3.762 3.283 1.00 31.54 C ATOM 591 C HIS A 38 -10.665 -3.462 3.906 1.00 51.31 C ATOM 592 O HIS A 38 -10.554 -2.654 4.830 1.00 32.42 O ATOM 593 CB HIS A 38 -12.593 -5.081 3.834 1.00 34.15 C ATOM 594 CG HIS A 38 -13.995 -5.373 3.385 1.00 12.35 C ATOM 595 ND1 HIS A 38 -14.432 -6.005 2.269 1.00 74.24 N flip ATOM 596 CD2 HIS A 38 -15.080 -4.991 4.136 1.00 44.33 C flip ATOM 597 CE1 HIS A 38 -15.800 -6.012 2.329 1.00 63.25 C flip ATOM 598 NE2 HIS A 38 -16.144 -5.392 3.465 1.00 73.42 N flip ATOM 0 H HIS A 38 -12.109 -4.742 1.422 1.00 12.34 H new ATOM 0 HA HIS A 38 -12.719 -2.956 3.550 1.00 31.54 H new ATOM 0 HB2 HIS A 38 -11.943 -5.899 3.523 1.00 34.15 H new ATOM 0 HB3 HIS A 38 -12.568 -5.050 4.923 1.00 34.15 H new ATOM 0 HD2 HIS A 38 -15.066 -4.469 5.082 1.00 44.33 H new ATOM 0 HE1 HIS A 38 -16.473 -6.437 1.599 1.00 63.25 H new ATOM 0 HE2 HIS A 38 -17.106 -5.248 3.773 1.00 73.42 H new ATOM 606 N VAL A 39 -9.623 -4.108 3.380 1.00 33.35 N ATOM 607 CA VAL A 39 -8.245 -3.823 3.797 1.00 72.43 C ATOM 608 C VAL A 39 -7.921 -2.335 3.592 1.00 33.42 C ATOM 609 O VAL A 39 -7.479 -1.647 4.514 1.00 13.52 O ATOM 610 CB VAL A 39 -7.221 -4.682 3.008 1.00 12.33 C ATOM 611 CG1 VAL A 39 -5.790 -4.389 3.466 1.00 53.12 C ATOM 612 CG2 VAL A 39 -7.547 -6.169 3.145 1.00 41.04 C ATOM 0 H VAL A 39 -9.705 -4.831 2.665 1.00 33.35 H new ATOM 0 HA VAL A 39 -8.167 -4.075 4.855 1.00 72.43 H new ATOM 0 HB VAL A 39 -7.294 -4.414 1.954 1.00 12.33 H new ATOM 0 HG11 VAL A 39 -5.093 -5.004 2.897 1.00 53.12 H new ATOM 0 HG12 VAL A 39 -5.563 -3.336 3.300 1.00 53.12 H new ATOM 0 HG13 VAL A 39 -5.694 -4.618 4.527 1.00 53.12 H new ATOM 0 HG21 VAL A 39 -6.818 -6.754 2.585 1.00 41.04 H new ATOM 0 HG22 VAL A 39 -7.511 -6.454 4.196 1.00 41.04 H new ATOM 0 HG23 VAL A 39 -8.545 -6.360 2.752 1.00 41.04 H new ATOM 622 N GLY A 40 -8.167 -1.846 2.376 1.00 21.03 N ATOM 623 CA GLY A 40 -7.948 -0.436 2.068 1.00 72.42 C ATOM 624 C GLY A 40 -8.803 0.501 2.915 1.00 23.23 C ATOM 625 O GLY A 40 -8.354 1.580 3.307 1.00 40.24 O ATOM 0 H GLY A 40 -8.515 -2.402 1.595 1.00 21.03 H new ATOM 0 HA2 GLY A 40 -6.896 -0.196 2.221 1.00 72.42 H new ATOM 0 HA3 GLY A 40 -8.165 -0.263 1.014 1.00 72.42 H new ATOM 629 N LYS A 41 -10.035 0.089 3.205 1.00 10.41 N ATOM 630 CA LYS A 41 -10.929 0.877 4.054 1.00 41.32 C ATOM 631 C LYS A 41 -10.343 1.042 5.462 1.00 53.13 C ATOM 632 O LYS A 41 -10.371 2.135 6.027 1.00 30.12 O ATOM 633 CB LYS A 41 -12.320 0.228 4.134 1.00 63.22 C ATOM 634 CG LYS A 41 -13.342 0.999 4.983 1.00 5.13 C ATOM 635 CD LYS A 41 -13.965 2.198 4.249 1.00 54.12 C ATOM 636 CE LYS A 41 -12.987 3.355 4.031 1.00 45.13 C ATOM 637 NZ LYS A 41 -12.435 3.876 5.312 1.00 73.01 N ATOM 0 H LYS A 41 -10.438 -0.785 2.866 1.00 10.41 H new ATOM 0 HA LYS A 41 -11.031 1.864 3.603 1.00 41.32 H new ATOM 0 HB2 LYS A 41 -12.715 0.121 3.124 1.00 63.22 H new ATOM 0 HB3 LYS A 41 -12.214 -0.777 4.542 1.00 63.22 H new ATOM 0 HG2 LYS A 41 -14.136 0.318 5.290 1.00 5.13 H new ATOM 0 HG3 LYS A 41 -12.855 1.352 5.892 1.00 5.13 H new ATOM 0 HD2 LYS A 41 -14.344 1.866 3.282 1.00 54.12 H new ATOM 0 HD3 LYS A 41 -14.821 2.559 4.820 1.00 54.12 H new ATOM 0 HE2 LYS A 41 -12.168 3.021 3.394 1.00 45.13 H new ATOM 0 HE3 LYS A 41 -13.494 4.162 3.501 1.00 45.13 H new ATOM 0 HZ1 LYS A 41 -11.845 4.711 5.122 1.00 73.01 H new ATOM 0 HZ2 LYS A 41 -13.217 4.141 5.944 1.00 73.01 H new ATOM 0 HZ3 LYS A 41 -11.857 3.140 5.766 1.00 73.01 H new ATOM 651 N ALA A 42 -9.812 -0.048 6.016 1.00 62.01 N ATOM 652 CA ALA A 42 -9.164 -0.014 7.331 1.00 43.14 C ATOM 653 C ALA A 42 -7.927 0.898 7.323 1.00 24.30 C ATOM 654 O ALA A 42 -7.734 1.711 8.228 1.00 71.42 O ATOM 655 CB ALA A 42 -8.785 -1.426 7.761 1.00 14.14 C ATOM 0 H ALA A 42 -9.817 -0.968 5.575 1.00 62.01 H new ATOM 0 HA ALA A 42 -9.873 0.399 8.049 1.00 43.14 H new ATOM 0 HB1 ALA A 42 -8.304 -1.392 8.739 1.00 14.14 H new ATOM 0 HB2 ALA A 42 -9.682 -2.042 7.819 1.00 14.14 H new ATOM 0 HB3 ALA A 42 -8.097 -1.856 7.033 1.00 14.14 H new ATOM 661 N LEU A 43 -7.097 0.760 6.287 1.00 32.22 N ATOM 662 CA LEU A 43 -5.910 1.609 6.120 1.00 32.31 C ATOM 663 C LEU A 43 -6.301 3.093 5.988 1.00 41.05 C ATOM 664 O LEU A 43 -5.613 3.980 6.493 1.00 14.24 O ATOM 665 CB LEU A 43 -5.111 1.169 4.883 1.00 71.12 C ATOM 666 CG LEU A 43 -4.637 -0.297 4.888 1.00 43.14 C ATOM 667 CD1 LEU A 43 -3.889 -0.628 3.597 1.00 12.32 C ATOM 668 CD2 LEU A 43 -3.764 -0.580 6.110 1.00 73.32 C ATOM 0 H LEU A 43 -7.223 0.068 5.549 1.00 32.22 H new ATOM 0 HA LEU A 43 -5.290 1.496 7.009 1.00 32.31 H new ATOM 0 HB2 LEU A 43 -5.726 1.331 3.998 1.00 71.12 H new ATOM 0 HB3 LEU A 43 -4.238 1.815 4.787 1.00 71.12 H new ATOM 0 HG LEU A 43 -5.516 -0.939 4.944 1.00 43.14 H new ATOM 0 HD11 LEU A 43 -3.563 -1.668 3.622 1.00 12.32 H new ATOM 0 HD12 LEU A 43 -4.550 -0.475 2.744 1.00 12.32 H new ATOM 0 HD13 LEU A 43 -3.019 0.022 3.503 1.00 12.32 H new ATOM 0 HD21 LEU A 43 -3.441 -1.621 6.093 1.00 73.32 H new ATOM 0 HD22 LEU A 43 -2.890 0.072 6.092 1.00 73.32 H new ATOM 0 HD23 LEU A 43 -4.337 -0.393 7.018 1.00 73.32 H new ATOM 680 N GLY A 44 -7.428 3.344 5.324 1.00 44.01 N ATOM 681 CA GLY A 44 -7.907 4.709 5.121 1.00 71.32 C ATOM 682 C GLY A 44 -8.448 5.372 6.392 1.00 33.10 C ATOM 683 O GLY A 44 -8.916 6.513 6.348 1.00 41.45 O ATOM 0 H GLY A 44 -8.024 2.622 4.919 1.00 44.01 H new ATOM 0 HA2 GLY A 44 -7.092 5.315 4.726 1.00 71.32 H new ATOM 0 HA3 GLY A 44 -8.692 4.699 4.365 1.00 71.32 H new ATOM 687 N ASN A 45 -8.409 4.657 7.519 1.00 22.11 N ATOM 688 CA ASN A 45 -8.828 5.221 8.814 1.00 23.01 C ATOM 689 C ASN A 45 -7.668 5.257 9.824 1.00 54.32 C ATOM 690 O ASN A 45 -7.848 5.674 10.973 1.00 64.41 O ATOM 691 CB ASN A 45 -10.006 4.422 9.392 1.00 34.33 C ATOM 692 CG ASN A 45 -11.304 4.674 8.647 1.00 11.30 C ATOM 693 OD1 ASN A 45 -11.647 3.969 7.706 1.00 52.33 O ATOM 694 ND2 ASN A 45 -12.030 5.696 9.054 1.00 71.21 N ATOM 0 H ASN A 45 -8.093 3.688 7.566 1.00 22.11 H new ATOM 0 HA ASN A 45 -9.145 6.248 8.634 1.00 23.01 H new ATOM 0 HB2 ASN A 45 -9.771 3.358 9.356 1.00 34.33 H new ATOM 0 HB3 ASN A 45 -10.137 4.684 10.442 1.00 34.33 H new ATOM 0 HD21 ASN A 45 -12.906 5.919 8.582 1.00 71.21 H new ATOM 0 HD22 ASN A 45 -11.716 6.263 9.841 1.00 71.21 H new ATOM 701 N LEU A 46 -6.479 4.838 9.391 1.00 62.01 N ATOM 702 CA LEU A 46 -5.297 4.825 10.263 1.00 44.32 C ATOM 703 C LEU A 46 -4.788 6.250 10.559 1.00 34.10 C ATOM 704 O LEU A 46 -4.942 7.159 9.737 1.00 52.33 O ATOM 705 CB LEU A 46 -4.178 3.982 9.632 1.00 22.05 C ATOM 706 CG LEU A 46 -4.462 2.471 9.555 1.00 12.50 C ATOM 707 CD1 LEU A 46 -3.310 1.737 8.877 1.00 24.35 C ATOM 708 CD2 LEU A 46 -4.717 1.897 10.948 1.00 23.13 C ATOM 0 H LEU A 46 -6.305 4.503 8.443 1.00 62.01 H new ATOM 0 HA LEU A 46 -5.593 4.376 11.211 1.00 44.32 H new ATOM 0 HB2 LEU A 46 -3.990 4.352 8.624 1.00 22.05 H new ATOM 0 HB3 LEU A 46 -3.263 4.135 10.204 1.00 22.05 H new ATOM 0 HG LEU A 46 -5.360 2.326 8.954 1.00 12.50 H new ATOM 0 HD11 LEU A 46 -3.533 0.671 8.834 1.00 24.35 H new ATOM 0 HD12 LEU A 46 -3.179 2.121 7.866 1.00 24.35 H new ATOM 0 HD13 LEU A 46 -2.394 1.893 9.446 1.00 24.35 H new ATOM 0 HD21 LEU A 46 -4.916 0.828 10.870 1.00 23.13 H new ATOM 0 HD22 LEU A 46 -3.840 2.059 11.574 1.00 23.13 H new ATOM 0 HD23 LEU A 46 -5.578 2.394 11.394 1.00 23.13 H new ATOM 720 N PRO A 47 -4.176 6.464 11.745 1.00 71.12 N ATOM 721 CA PRO A 47 -3.677 7.789 12.158 1.00 42.12 C ATOM 722 C PRO A 47 -2.506 8.308 11.301 1.00 62.33 C ATOM 723 O PRO A 47 -1.913 7.571 10.511 1.00 52.11 O ATOM 724 CB PRO A 47 -3.228 7.560 13.613 1.00 71.34 C ATOM 725 CG PRO A 47 -2.934 6.101 13.692 1.00 34.31 C ATOM 726 CD PRO A 47 -3.925 5.437 12.778 1.00 63.44 C ATOM 0 HA PRO A 47 -4.445 8.554 12.041 1.00 42.12 H new ATOM 0 HB2 PRO A 47 -2.347 8.155 13.854 1.00 71.34 H new ATOM 0 HB3 PRO A 47 -4.009 7.846 14.318 1.00 71.34 H new ATOM 0 HG2 PRO A 47 -1.911 5.890 13.380 1.00 34.31 H new ATOM 0 HG3 PRO A 47 -3.037 5.735 14.714 1.00 34.31 H new ATOM 0 HD2 PRO A 47 -3.522 4.521 12.345 1.00 63.44 H new ATOM 0 HD3 PRO A 47 -4.839 5.165 13.305 1.00 63.44 H new ATOM 734 N GLU A 48 -2.179 9.587 11.480 1.00 34.00 N ATOM 735 CA GLU A 48 -1.113 10.245 10.711 1.00 62.43 C ATOM 736 C GLU A 48 0.269 9.629 10.997 1.00 0.05 C ATOM 737 O GLU A 48 1.061 9.389 10.081 1.00 74.02 O ATOM 738 CB GLU A 48 -1.089 11.743 11.046 1.00 5.31 C ATOM 739 CG GLU A 48 -2.393 12.478 10.737 1.00 2.44 C ATOM 740 CD GLU A 48 -2.661 12.618 9.247 1.00 25.40 C ATOM 741 OE1 GLU A 48 -2.080 13.536 8.621 1.00 51.22 O ATOM 742 OE2 GLU A 48 -3.456 11.830 8.697 1.00 15.53 O ATOM 0 H GLU A 48 -2.639 10.196 12.156 1.00 34.00 H new ATOM 0 HA GLU A 48 -1.328 10.099 9.652 1.00 62.43 H new ATOM 0 HB2 GLU A 48 -0.860 11.863 12.105 1.00 5.31 H new ATOM 0 HB3 GLU A 48 -0.279 12.215 10.490 1.00 5.31 H new ATOM 0 HG2 GLU A 48 -3.223 11.944 11.201 1.00 2.44 H new ATOM 0 HG3 GLU A 48 -2.360 13.469 11.189 1.00 2.44 H new ATOM 749 N GLY A 49 0.558 9.382 12.274 1.00 52.33 N ATOM 750 CA GLY A 49 1.858 8.841 12.668 1.00 35.20 C ATOM 751 C GLY A 49 1.781 7.415 13.208 1.00 62.41 C ATOM 752 O GLY A 49 2.067 7.170 14.384 1.00 0.43 O ATOM 0 H GLY A 49 -0.085 9.546 13.048 1.00 52.33 H new ATOM 0 HA2 GLY A 49 2.527 8.861 11.808 1.00 35.20 H new ATOM 0 HA3 GLY A 49 2.297 9.487 13.429 1.00 35.20 H new ATOM 756 N SER A 50 1.387 6.475 12.356 1.00 2.15 N ATOM 757 CA SER A 50 1.315 5.055 12.732 1.00 33.12 C ATOM 758 C SER A 50 2.589 4.303 12.321 1.00 24.43 C ATOM 759 O SER A 50 3.096 4.493 11.218 1.00 50.43 O ATOM 760 CB SER A 50 0.099 4.390 12.068 1.00 32.32 C ATOM 761 OG SER A 50 0.152 4.500 10.651 1.00 32.33 O ATOM 0 H SER A 50 1.110 6.666 11.393 1.00 2.15 H new ATOM 0 HA SER A 50 1.216 5.006 13.816 1.00 33.12 H new ATOM 0 HB2 SER A 50 0.059 3.338 12.351 1.00 32.32 H new ATOM 0 HB3 SER A 50 -0.816 4.854 12.436 1.00 32.32 H new ATOM 0 HG SER A 50 0.599 3.712 10.278 1.00 32.33 H new ATOM 767 N LYS A 51 3.103 3.445 13.209 1.00 54.53 N ATOM 768 CA LYS A 51 4.258 2.596 12.875 1.00 42.13 C ATOM 769 C LYS A 51 3.919 1.646 11.715 1.00 10.42 C ATOM 770 O LYS A 51 4.793 1.242 10.947 1.00 12.11 O ATOM 771 CB LYS A 51 4.714 1.784 14.098 1.00 13.42 C ATOM 772 CG LYS A 51 5.223 2.639 15.257 1.00 1.33 C ATOM 773 CD LYS A 51 5.768 1.780 16.395 1.00 73.31 C ATOM 774 CE LYS A 51 6.262 2.628 17.564 1.00 44.44 C ATOM 775 NZ LYS A 51 5.176 3.463 18.143 1.00 62.23 N ATOM 0 H LYS A 51 2.744 3.319 14.155 1.00 54.53 H new ATOM 0 HA LYS A 51 5.073 3.251 12.567 1.00 42.13 H new ATOM 0 HB2 LYS A 51 3.881 1.175 14.448 1.00 13.42 H new ATOM 0 HB3 LYS A 51 5.504 1.098 13.792 1.00 13.42 H new ATOM 0 HG2 LYS A 51 6.005 3.308 14.899 1.00 1.33 H new ATOM 0 HG3 LYS A 51 4.413 3.266 15.630 1.00 1.33 H new ATOM 0 HD2 LYS A 51 4.989 1.102 16.743 1.00 73.31 H new ATOM 0 HD3 LYS A 51 6.586 1.162 16.024 1.00 73.31 H new ATOM 0 HE2 LYS A 51 6.671 1.977 18.337 1.00 44.44 H new ATOM 0 HE3 LYS A 51 7.074 3.272 17.227 1.00 44.44 H new ATOM 0 HZ1 LYS A 51 5.486 3.851 19.057 1.00 62.23 H new ATOM 0 HZ2 LYS A 51 4.954 4.244 17.493 1.00 62.23 H new ATOM 0 HZ3 LYS A 51 4.327 2.879 18.285 1.00 62.23 H new ATOM 789 N LEU A 52 2.639 1.290 11.609 1.00 62.00 N ATOM 790 CA LEU A 52 2.136 0.476 10.498 1.00 62.21 C ATOM 791 C LEU A 52 2.135 1.278 9.183 1.00 63.40 C ATOM 792 O LEU A 52 1.405 2.267 9.054 1.00 43.42 O ATOM 793 CB LEU A 52 0.715 -0.008 10.821 1.00 34.55 C ATOM 794 CG LEU A 52 -0.017 -0.755 9.690 1.00 44.40 C ATOM 795 CD1 LEU A 52 0.716 -2.039 9.314 1.00 53.32 C ATOM 796 CD2 LEU A 52 -1.457 -1.051 10.098 1.00 2.30 C ATOM 0 H LEU A 52 1.923 1.555 12.286 1.00 62.00 H new ATOM 0 HA LEU A 52 2.794 -0.383 10.369 1.00 62.21 H new ATOM 0 HB2 LEU A 52 0.765 -0.664 11.690 1.00 34.55 H new ATOM 0 HB3 LEU A 52 0.115 0.856 11.107 1.00 34.55 H new ATOM 0 HG LEU A 52 -0.031 -0.113 8.809 1.00 44.40 H new ATOM 0 HD11 LEU A 52 0.176 -2.545 8.513 1.00 53.32 H new ATOM 0 HD12 LEU A 52 1.724 -1.797 8.976 1.00 53.32 H new ATOM 0 HD13 LEU A 52 0.773 -2.694 10.184 1.00 53.32 H new ATOM 0 HD21 LEU A 52 -1.963 -1.579 9.290 1.00 2.30 H new ATOM 0 HD22 LEU A 52 -1.461 -1.671 10.995 1.00 2.30 H new ATOM 0 HD23 LEU A 52 -1.977 -0.115 10.301 1.00 2.30 H new ATOM 808 N PRO A 53 2.952 0.877 8.188 1.00 52.24 N ATOM 809 CA PRO A 53 3.024 1.595 6.912 1.00 63.12 C ATOM 810 C PRO A 53 1.872 1.237 5.952 1.00 33.12 C ATOM 811 O PRO A 53 1.947 0.264 5.200 1.00 63.13 O ATOM 812 CB PRO A 53 4.375 1.136 6.347 1.00 11.40 C ATOM 813 CG PRO A 53 4.556 -0.249 6.880 1.00 44.43 C ATOM 814 CD PRO A 53 3.871 -0.281 8.228 1.00 73.22 C ATOM 0 HA PRO A 53 2.935 2.674 7.039 1.00 63.12 H new ATOM 0 HB2 PRO A 53 4.372 1.144 5.257 1.00 11.40 H new ATOM 0 HB3 PRO A 53 5.183 1.793 6.668 1.00 11.40 H new ATOM 0 HG2 PRO A 53 4.119 -0.985 6.205 1.00 44.43 H new ATOM 0 HG3 PRO A 53 5.614 -0.493 6.976 1.00 44.43 H new ATOM 0 HD2 PRO A 53 3.330 -1.215 8.379 1.00 73.22 H new ATOM 0 HD3 PRO A 53 4.589 -0.193 9.043 1.00 73.22 H new ATOM 822 N TRP A 54 0.819 2.050 5.964 1.00 15.23 N ATOM 823 CA TRP A 54 -0.336 1.843 5.076 1.00 22.22 C ATOM 824 C TRP A 54 -0.061 2.364 3.658 1.00 11.14 C ATOM 825 O TRP A 54 -0.640 1.888 2.682 1.00 50.53 O ATOM 826 CB TRP A 54 -1.587 2.521 5.664 1.00 51.42 C ATOM 827 CG TRP A 54 -1.348 3.912 6.193 1.00 23.32 C ATOM 828 CD1 TRP A 54 -1.038 4.251 7.480 1.00 33.32 C ATOM 829 CD2 TRP A 54 -1.405 5.144 5.460 1.00 3.13 C ATOM 830 NE1 TRP A 54 -0.899 5.612 7.591 1.00 13.20 N ATOM 831 CE2 TRP A 54 -1.120 6.184 6.367 1.00 41.13 C ATOM 832 CE3 TRP A 54 -1.670 5.469 4.128 1.00 25.34 C ATOM 833 CZ2 TRP A 54 -1.089 7.522 5.982 1.00 42.21 C ATOM 834 CZ3 TRP A 54 -1.640 6.797 3.747 1.00 23.41 C ATOM 835 CH2 TRP A 54 -1.351 7.811 4.671 1.00 61.10 C ATOM 0 H TRP A 54 0.736 2.861 6.577 1.00 15.23 H new ATOM 0 HA TRP A 54 -0.513 0.770 5.004 1.00 22.22 H new ATOM 0 HB2 TRP A 54 -2.358 2.565 4.894 1.00 51.42 H new ATOM 0 HB3 TRP A 54 -1.977 1.900 6.471 1.00 51.42 H new ATOM 0 HD1 TRP A 54 -0.919 3.549 8.292 1.00 33.32 H new ATOM 0 HE1 TRP A 54 -0.668 6.116 8.447 1.00 13.20 H new ATOM 0 HE3 TRP A 54 -1.895 4.696 3.408 1.00 25.34 H new ATOM 0 HZ2 TRP A 54 -0.866 8.304 6.693 1.00 42.21 H new ATOM 0 HZ3 TRP A 54 -1.843 7.058 2.719 1.00 23.41 H new ATOM 0 HH2 TRP A 54 -1.335 8.839 4.342 1.00 61.10 H new ATOM 846 N PHE A 55 0.852 3.323 3.557 1.00 21.30 N ATOM 847 CA PHE A 55 1.176 3.969 2.279 1.00 53.40 C ATOM 848 C PHE A 55 1.728 2.991 1.220 1.00 23.51 C ATOM 849 O PHE A 55 1.658 3.268 0.022 1.00 53.15 O ATOM 850 CB PHE A 55 2.170 5.121 2.514 1.00 61.15 C ATOM 851 CG PHE A 55 3.390 4.746 3.323 1.00 33.31 C ATOM 852 CD1 PHE A 55 4.516 4.215 2.709 1.00 52.40 C ATOM 853 CD2 PHE A 55 3.413 4.942 4.698 1.00 34.11 C ATOM 854 CE1 PHE A 55 5.636 3.887 3.448 1.00 34.53 C ATOM 855 CE2 PHE A 55 4.531 4.613 5.440 1.00 32.44 C ATOM 856 CZ PHE A 55 5.643 4.086 4.813 1.00 34.32 C ATOM 0 H PHE A 55 1.388 3.677 4.349 1.00 21.30 H new ATOM 0 HA PHE A 55 0.241 4.358 1.876 1.00 53.40 H new ATOM 0 HB2 PHE A 55 2.496 5.505 1.547 1.00 61.15 H new ATOM 0 HB3 PHE A 55 1.650 5.934 3.021 1.00 61.15 H new ATOM 0 HD1 PHE A 55 4.516 4.056 1.641 1.00 52.40 H new ATOM 0 HD2 PHE A 55 2.547 5.356 5.193 1.00 34.11 H new ATOM 0 HE1 PHE A 55 6.506 3.475 2.957 1.00 34.53 H new ATOM 0 HE2 PHE A 55 4.535 4.768 6.509 1.00 32.44 H new ATOM 0 HZ PHE A 55 6.518 3.830 5.391 1.00 34.32 H new ATOM 866 N ARG A 56 2.265 1.853 1.661 1.00 53.32 N ATOM 867 CA ARG A 56 2.880 0.874 0.746 1.00 43.14 C ATOM 868 C ARG A 56 1.842 0.091 -0.078 1.00 51.42 C ATOM 869 O ARG A 56 2.193 -0.559 -1.064 1.00 3.52 O ATOM 870 CB ARG A 56 3.745 -0.122 1.531 1.00 41.12 C ATOM 871 CG ARG A 56 5.016 0.474 2.130 1.00 63.01 C ATOM 872 CD ARG A 56 5.816 -0.577 2.893 1.00 14.24 C ATOM 873 NE ARG A 56 7.105 -0.071 3.358 1.00 42.30 N ATOM 874 CZ ARG A 56 7.894 -0.717 4.172 1.00 13.23 C ATOM 875 NH1 ARG A 56 7.547 -1.865 4.658 1.00 12.32 N ATOM 876 NH2 ARG A 56 9.034 -0.210 4.494 1.00 41.33 N ATOM 0 H ARG A 56 2.290 1.581 2.644 1.00 53.32 H new ATOM 0 HA ARG A 56 3.494 1.448 0.052 1.00 43.14 H new ATOM 0 HB2 ARG A 56 3.145 -0.548 2.335 1.00 41.12 H new ATOM 0 HB3 ARG A 56 4.021 -0.943 0.870 1.00 41.12 H new ATOM 0 HG2 ARG A 56 5.631 0.896 1.336 1.00 63.01 H new ATOM 0 HG3 ARG A 56 4.755 1.293 2.801 1.00 63.01 H new ATOM 0 HD2 ARG A 56 5.235 -0.921 3.748 1.00 14.24 H new ATOM 0 HD3 ARG A 56 5.979 -1.442 2.250 1.00 14.24 H new ATOM 0 HE ARG A 56 7.407 0.845 3.026 1.00 42.30 H new ATOM 0 HH11 ARG A 56 6.648 -2.275 4.406 1.00 12.32 H new ATOM 0 HH12 ARG A 56 8.173 -2.360 5.293 1.00 12.32 H new ATOM 0 HH21 ARG A 56 9.317 0.693 4.113 1.00 41.33 H new ATOM 0 HH22 ARG A 56 9.654 -0.712 5.130 1.00 41.33 H new ATOM 890 N VAL A 57 0.575 0.139 0.326 1.00 71.22 N ATOM 891 CA VAL A 57 -0.466 -0.659 -0.334 1.00 40.23 C ATOM 892 C VAL A 57 -1.366 0.205 -1.242 1.00 52.01 C ATOM 893 O VAL A 57 -2.187 0.993 -0.762 1.00 14.25 O ATOM 894 CB VAL A 57 -1.342 -1.403 0.704 1.00 62.13 C ATOM 895 CG1 VAL A 57 -2.264 -2.407 0.016 1.00 30.20 C ATOM 896 CG2 VAL A 57 -0.467 -2.094 1.753 1.00 33.32 C ATOM 0 H VAL A 57 0.242 0.715 1.099 1.00 71.22 H new ATOM 0 HA VAL A 57 0.050 -1.390 -0.957 1.00 40.23 H new ATOM 0 HB VAL A 57 -1.966 -0.668 1.213 1.00 62.13 H new ATOM 0 HG11 VAL A 57 -2.870 -2.917 0.765 1.00 30.20 H new ATOM 0 HG12 VAL A 57 -2.916 -1.883 -0.682 1.00 30.20 H new ATOM 0 HG13 VAL A 57 -1.665 -3.139 -0.526 1.00 30.20 H new ATOM 0 HG21 VAL A 57 -1.102 -2.611 2.473 1.00 33.32 H new ATOM 0 HG22 VAL A 57 0.188 -2.815 1.263 1.00 33.32 H new ATOM 0 HG23 VAL A 57 0.137 -1.349 2.271 1.00 33.32 H new ATOM 906 N ILE A 58 -1.209 0.045 -2.557 1.00 15.53 N ATOM 907 CA ILE A 58 -1.994 0.811 -3.538 1.00 40.22 C ATOM 908 C ILE A 58 -2.915 -0.106 -4.367 1.00 23.33 C ATOM 909 O ILE A 58 -3.086 -1.287 -4.051 1.00 71.20 O ATOM 910 CB ILE A 58 -1.072 1.614 -4.495 1.00 33.51 C ATOM 911 CG1 ILE A 58 -0.267 0.662 -5.399 1.00 73.01 C ATOM 912 CG2 ILE A 58 -0.141 2.535 -3.701 1.00 14.30 C ATOM 913 CD1 ILE A 58 0.700 1.365 -6.329 1.00 54.22 C ATOM 0 H ILE A 58 -0.545 -0.609 -2.972 1.00 15.53 H new ATOM 0 HA ILE A 58 -2.611 1.508 -2.970 1.00 40.22 H new ATOM 0 HB ILE A 58 -1.698 2.237 -5.134 1.00 33.51 H new ATOM 0 HG12 ILE A 58 0.290 -0.034 -4.772 1.00 73.01 H new ATOM 0 HG13 ILE A 58 -0.961 0.069 -5.994 1.00 73.01 H new ATOM 0 HG21 ILE A 58 0.497 3.089 -4.390 1.00 14.30 H new ATOM 0 HG22 ILE A 58 -0.736 3.235 -3.114 1.00 14.30 H new ATOM 0 HG23 ILE A 58 0.479 1.937 -3.033 1.00 14.30 H new ATOM 0 HD11 ILE A 58 1.228 0.626 -6.931 1.00 54.22 H new ATOM 0 HD12 ILE A 58 0.149 2.040 -6.984 1.00 54.22 H new ATOM 0 HD13 ILE A 58 1.420 1.935 -5.742 1.00 54.22 H new ATOM 925 N ASN A 59 -3.525 0.444 -5.418 1.00 31.22 N ATOM 926 CA ASN A 59 -4.420 -0.334 -6.287 1.00 14.42 C ATOM 927 C ASN A 59 -3.640 -1.142 -7.340 1.00 74.14 C ATOM 928 O ASN A 59 -2.445 -0.925 -7.553 1.00 41.13 O ATOM 929 CB ASN A 59 -5.432 0.596 -6.970 1.00 41.11 C ATOM 930 CG ASN A 59 -4.780 1.660 -7.842 1.00 32.25 C ATOM 931 OD1 ASN A 59 -3.738 1.443 -8.451 1.00 25.34 O ATOM 932 ND2 ASN A 59 -5.382 2.825 -7.902 1.00 34.25 N ATOM 0 H ASN A 59 -3.419 1.421 -5.690 1.00 31.22 H new ATOM 0 HA ASN A 59 -4.953 -1.047 -5.658 1.00 14.42 H new ATOM 0 HB2 ASN A 59 -6.108 -0.001 -7.582 1.00 41.11 H new ATOM 0 HB3 ASN A 59 -6.039 1.083 -6.207 1.00 41.11 H new ATOM 0 HD21 ASN A 59 -4.984 3.576 -8.465 1.00 34.25 H new ATOM 0 HD22 ASN A 59 -6.248 2.979 -7.385 1.00 34.25 H new ATOM 939 N SER A 60 -4.333 -2.054 -8.021 1.00 32.44 N ATOM 940 CA SER A 60 -3.706 -2.889 -9.063 1.00 4.22 C ATOM 941 C SER A 60 -3.481 -2.110 -10.369 1.00 55.11 C ATOM 942 O SER A 60 -3.180 -2.697 -11.407 1.00 42.33 O ATOM 943 CB SER A 60 -4.566 -4.133 -9.343 1.00 3.01 C ATOM 944 OG SER A 60 -4.754 -4.906 -8.165 1.00 32.44 O ATOM 0 H SER A 60 -5.326 -2.238 -7.876 1.00 32.44 H new ATOM 0 HA SER A 60 -2.731 -3.196 -8.685 1.00 4.22 H new ATOM 0 HB2 SER A 60 -5.535 -3.827 -9.738 1.00 3.01 H new ATOM 0 HB3 SER A 60 -4.088 -4.744 -10.109 1.00 3.01 H new ATOM 0 HG SER A 60 -5.305 -5.689 -8.372 1.00 32.44 H new ATOM 950 N GLN A 61 -3.616 -0.786 -10.309 1.00 5.22 N ATOM 951 CA GLN A 61 -3.421 0.079 -11.480 1.00 33.13 C ATOM 952 C GLN A 61 -2.130 0.907 -11.360 1.00 52.40 C ATOM 953 O GLN A 61 -1.824 1.726 -12.230 1.00 53.13 O ATOM 954 CB GLN A 61 -4.626 1.017 -11.641 1.00 75.11 C ATOM 955 CG GLN A 61 -5.959 0.288 -11.795 1.00 23.21 C ATOM 956 CD GLN A 61 -6.018 -0.584 -13.041 1.00 52.42 C ATOM 957 OE1 GLN A 61 -5.391 -0.286 -14.055 1.00 12.53 O ATOM 958 NE2 GLN A 61 -6.776 -1.658 -12.980 1.00 34.30 N ATOM 0 H GLN A 61 -3.861 -0.282 -9.457 1.00 5.22 H new ATOM 0 HA GLN A 61 -3.332 -0.560 -12.359 1.00 33.13 H new ATOM 0 HB2 GLN A 61 -4.681 1.675 -10.774 1.00 75.11 H new ATOM 0 HB3 GLN A 61 -4.467 1.651 -12.513 1.00 75.11 H new ATOM 0 HG2 GLN A 61 -6.132 -0.332 -10.915 1.00 23.21 H new ATOM 0 HG3 GLN A 61 -6.765 1.020 -11.832 1.00 23.21 H new ATOM 0 HE21 GLN A 61 -7.283 -1.876 -12.122 1.00 34.30 H new ATOM 0 HE22 GLN A 61 -6.856 -2.272 -13.790 1.00 34.30 H new ATOM 967 N GLY A 62 -1.377 0.690 -10.281 1.00 63.21 N ATOM 968 CA GLY A 62 -0.153 1.454 -10.053 1.00 21.30 C ATOM 969 C GLY A 62 -0.428 2.920 -9.720 1.00 72.54 C ATOM 970 O GLY A 62 0.205 3.827 -10.271 1.00 24.13 O ATOM 0 H GLY A 62 -1.590 0.000 -9.560 1.00 63.21 H new ATOM 0 HA2 GLY A 62 0.408 0.999 -9.237 1.00 21.30 H new ATOM 0 HA3 GLY A 62 0.476 1.399 -10.942 1.00 21.30 H new ATOM 974 N LYS A 63 -1.390 3.150 -8.830 1.00 43.24 N ATOM 975 CA LYS A 63 -1.787 4.507 -8.439 1.00 44.25 C ATOM 976 C LYS A 63 -2.304 4.543 -6.992 1.00 4.04 C ATOM 977 O LYS A 63 -2.890 3.577 -6.503 1.00 63.22 O ATOM 978 CB LYS A 63 -2.874 5.024 -9.402 1.00 45.11 C ATOM 979 CG LYS A 63 -3.447 6.395 -9.036 1.00 31.01 C ATOM 980 CD LYS A 63 -4.598 6.791 -9.962 1.00 21.22 C ATOM 981 CE LYS A 63 -5.311 8.055 -9.486 1.00 22.03 C ATOM 982 NZ LYS A 63 -4.438 9.256 -9.531 1.00 24.12 N ATOM 0 H LYS A 63 -1.914 2.411 -8.361 1.00 43.24 H new ATOM 0 HA LYS A 63 -0.910 5.151 -8.496 1.00 44.25 H new ATOM 0 HB2 LYS A 63 -2.456 5.076 -10.407 1.00 45.11 H new ATOM 0 HB3 LYS A 63 -3.689 4.300 -9.432 1.00 45.11 H new ATOM 0 HG2 LYS A 63 -3.799 6.379 -8.004 1.00 31.01 H new ATOM 0 HG3 LYS A 63 -2.659 7.146 -9.093 1.00 31.01 H new ATOM 0 HD2 LYS A 63 -4.214 6.950 -10.969 1.00 21.22 H new ATOM 0 HD3 LYS A 63 -5.314 5.971 -10.020 1.00 21.22 H new ATOM 0 HE2 LYS A 63 -6.191 8.227 -10.106 1.00 22.03 H new ATOM 0 HE3 LYS A 63 -5.665 7.906 -8.466 1.00 22.03 H new ATOM 0 HZ1 LYS A 63 -4.929 10.059 -9.089 1.00 24.12 H new ATOM 0 HZ2 LYS A 63 -3.556 9.063 -9.015 1.00 24.12 H new ATOM 0 HZ3 LYS A 63 -4.217 9.488 -10.521 1.00 24.12 H new ATOM 996 N ILE A 64 -2.070 5.658 -6.303 1.00 61.20 N ATOM 997 CA ILE A 64 -2.625 5.865 -4.962 1.00 74.05 C ATOM 998 C ILE A 64 -4.162 5.958 -5.016 1.00 31.31 C ATOM 999 O ILE A 64 -4.718 6.719 -5.807 1.00 5.45 O ATOM 1000 CB ILE A 64 -2.042 7.145 -4.313 1.00 42.10 C ATOM 1001 CG1 ILE A 64 -0.518 7.002 -4.136 1.00 24.12 C ATOM 1002 CG2 ILE A 64 -2.720 7.434 -2.976 1.00 14.45 C ATOM 1003 CD1 ILE A 64 0.155 8.231 -3.555 1.00 14.14 C ATOM 0 H ILE A 64 -1.502 6.432 -6.648 1.00 61.20 H new ATOM 0 HA ILE A 64 -2.346 5.007 -4.351 1.00 74.05 H new ATOM 0 HB ILE A 64 -2.237 7.989 -4.974 1.00 42.10 H new ATOM 0 HG12 ILE A 64 -0.317 6.150 -3.487 1.00 24.12 H new ATOM 0 HG13 ILE A 64 -0.070 6.779 -5.104 1.00 24.12 H new ATOM 0 HG21 ILE A 64 -2.294 8.337 -2.540 1.00 14.45 H new ATOM 0 HG22 ILE A 64 -3.789 7.577 -3.134 1.00 14.45 H new ATOM 0 HG23 ILE A 64 -2.562 6.595 -2.299 1.00 14.45 H new ATOM 0 HD11 ILE A 64 1.226 8.050 -3.462 1.00 14.14 H new ATOM 0 HD12 ILE A 64 -0.013 9.083 -4.213 1.00 14.14 H new ATOM 0 HD13 ILE A 64 -0.264 8.444 -2.571 1.00 14.14 H new ATOM 1015 N SER A 65 -4.839 5.177 -4.175 1.00 55.45 N ATOM 1016 CA SER A 65 -6.310 5.078 -4.217 1.00 51.02 C ATOM 1017 C SER A 65 -7.005 6.228 -3.466 1.00 33.05 C ATOM 1018 O SER A 65 -8.166 6.539 -3.733 1.00 61.31 O ATOM 1019 CB SER A 65 -6.760 3.729 -3.637 1.00 24.44 C ATOM 1020 OG SER A 65 -8.170 3.575 -3.696 1.00 1.21 O ATOM 0 H SER A 65 -4.400 4.602 -3.456 1.00 55.45 H new ATOM 0 HA SER A 65 -6.606 5.153 -5.263 1.00 51.02 H new ATOM 0 HB2 SER A 65 -6.282 2.919 -4.188 1.00 24.44 H new ATOM 0 HB3 SER A 65 -6.428 3.649 -2.602 1.00 24.44 H new ATOM 0 HG SER A 65 -8.420 2.705 -3.320 1.00 1.21 H new ATOM 1026 N LEU A 66 -6.287 6.865 -2.540 1.00 12.44 N ATOM 1027 CA LEU A 66 -6.859 7.935 -1.706 1.00 73.41 C ATOM 1028 C LEU A 66 -7.071 9.245 -2.495 1.00 73.32 C ATOM 1029 O LEU A 66 -6.599 9.391 -3.624 1.00 51.13 O ATOM 1030 CB LEU A 66 -5.950 8.188 -0.496 1.00 21.21 C ATOM 1031 CG LEU A 66 -5.754 6.980 0.442 1.00 61.04 C ATOM 1032 CD1 LEU A 66 -4.801 7.330 1.583 1.00 21.12 C ATOM 1033 CD2 LEU A 66 -7.099 6.493 0.988 1.00 34.34 C ATOM 0 H LEU A 66 -5.307 6.662 -2.345 1.00 12.44 H new ATOM 0 HA LEU A 66 -7.841 7.601 -1.370 1.00 73.41 H new ATOM 0 HB2 LEU A 66 -4.973 8.510 -0.857 1.00 21.21 H new ATOM 0 HB3 LEU A 66 -6.364 9.014 0.083 1.00 21.21 H new ATOM 0 HG LEU A 66 -5.309 6.170 -0.136 1.00 61.04 H new ATOM 0 HD11 LEU A 66 -4.677 6.463 2.232 1.00 21.12 H new ATOM 0 HD12 LEU A 66 -3.833 7.618 1.173 1.00 21.12 H new ATOM 0 HD13 LEU A 66 -5.212 8.159 2.159 1.00 21.12 H new ATOM 0 HD21 LEU A 66 -6.937 5.640 1.647 1.00 34.34 H new ATOM 0 HD22 LEU A 66 -7.578 7.297 1.546 1.00 34.34 H new ATOM 0 HD23 LEU A 66 -7.741 6.194 0.160 1.00 34.34 H new ATOM 1045 N LYS A 67 -7.790 10.195 -1.888 1.00 22.50 N ATOM 1046 CA LYS A 67 -8.076 11.489 -2.531 1.00 74.22 C ATOM 1047 C LYS A 67 -6.838 12.406 -2.544 1.00 12.00 C ATOM 1048 O LYS A 67 -5.855 12.128 -1.871 1.00 40.42 O ATOM 1049 CB LYS A 67 -9.246 12.183 -1.819 1.00 33.05 C ATOM 1050 CG LYS A 67 -10.560 11.403 -1.886 1.00 2.31 C ATOM 1051 CD LYS A 67 -11.045 11.220 -3.324 1.00 10.34 C ATOM 1052 CE LYS A 67 -11.413 12.551 -3.979 1.00 11.11 C ATOM 1053 NZ LYS A 67 -11.749 12.386 -5.419 1.00 72.10 N ATOM 0 H LYS A 67 -8.186 10.096 -0.953 1.00 22.50 H new ATOM 0 HA LYS A 67 -8.350 11.293 -3.568 1.00 74.22 H new ATOM 0 HB2 LYS A 67 -8.981 12.341 -0.774 1.00 33.05 H new ATOM 0 HB3 LYS A 67 -9.396 13.168 -2.262 1.00 33.05 H new ATOM 0 HG2 LYS A 67 -10.426 10.426 -1.422 1.00 2.31 H new ATOM 0 HG3 LYS A 67 -11.323 11.927 -1.310 1.00 2.31 H new ATOM 0 HD2 LYS A 67 -10.266 10.731 -3.910 1.00 10.34 H new ATOM 0 HD3 LYS A 67 -11.912 10.560 -3.333 1.00 10.34 H new ATOM 0 HE2 LYS A 67 -12.262 12.991 -3.456 1.00 11.11 H new ATOM 0 HE3 LYS A 67 -10.581 13.248 -3.878 1.00 11.11 H new ATOM 0 HZ1 LYS A 67 -11.993 13.311 -5.827 1.00 72.10 H new ATOM 0 HZ2 LYS A 67 -10.930 11.990 -5.923 1.00 72.10 H new ATOM 0 HZ3 LYS A 67 -12.559 11.741 -5.515 1.00 72.10 H new ATOM 1067 N GLY A 68 -6.921 13.519 -3.283 1.00 34.44 N ATOM 1068 CA GLY A 68 -5.758 14.390 -3.517 1.00 40.30 C ATOM 1069 C GLY A 68 -4.923 14.706 -2.270 1.00 32.34 C ATOM 1070 O GLY A 68 -3.701 14.536 -2.275 1.00 61.22 O ATOM 0 H GLY A 68 -7.780 13.839 -3.730 1.00 34.44 H new ATOM 0 HA2 GLY A 68 -5.113 13.918 -4.258 1.00 40.30 H new ATOM 0 HA3 GLY A 68 -6.107 15.328 -3.950 1.00 40.30 H new ATOM 1074 N ARG A 69 -5.578 15.167 -1.204 1.00 2.43 N ATOM 1075 CA ARG A 69 -4.885 15.499 0.051 1.00 41.22 C ATOM 1076 C ARG A 69 -4.150 14.283 0.635 1.00 53.03 C ATOM 1077 O ARG A 69 -2.963 14.351 0.964 1.00 4.32 O ATOM 1078 CB ARG A 69 -5.888 16.048 1.078 1.00 23.14 C ATOM 1079 CG ARG A 69 -6.375 17.462 0.776 1.00 22.23 C ATOM 1080 CD ARG A 69 -5.232 18.468 0.850 1.00 13.54 C ATOM 1081 NE ARG A 69 -5.693 19.848 0.709 1.00 62.32 N ATOM 1082 CZ ARG A 69 -5.198 20.854 1.381 1.00 23.30 C ATOM 1083 NH1 ARG A 69 -4.269 20.661 2.263 1.00 53.32 N ATOM 1084 NH2 ARG A 69 -5.642 22.052 1.178 1.00 14.12 N ATOM 0 H ARG A 69 -6.586 15.320 -1.180 1.00 2.43 H new ATOM 0 HA ARG A 69 -4.140 16.262 -0.175 1.00 41.22 H new ATOM 0 HB2 ARG A 69 -6.748 15.380 1.123 1.00 23.14 H new ATOM 0 HB3 ARG A 69 -5.425 16.037 2.065 1.00 23.14 H new ATOM 0 HG2 ARG A 69 -6.824 17.490 -0.217 1.00 22.23 H new ATOM 0 HG3 ARG A 69 -7.154 17.740 1.486 1.00 22.23 H new ATOM 0 HD2 ARG A 69 -4.715 18.356 1.803 1.00 13.54 H new ATOM 0 HD3 ARG A 69 -4.507 18.248 0.066 1.00 13.54 H new ATOM 0 HE ARG A 69 -6.446 20.037 0.047 1.00 62.32 H new ATOM 0 HH11 ARG A 69 -3.919 19.719 2.437 1.00 53.32 H new ATOM 0 HH12 ARG A 69 -3.888 21.451 2.783 1.00 53.32 H new ATOM 0 HH21 ARG A 69 -6.380 22.213 0.492 1.00 14.12 H new ATOM 0 HH22 ARG A 69 -5.254 22.835 1.704 1.00 14.12 H new ATOM 1098 N ASP A 70 -4.862 13.172 0.751 1.00 43.14 N ATOM 1099 CA ASP A 70 -4.291 11.942 1.301 1.00 73.33 C ATOM 1100 C ASP A 70 -3.297 11.306 0.315 1.00 14.23 C ATOM 1101 O ASP A 70 -2.407 10.549 0.709 1.00 24.53 O ATOM 1102 CB ASP A 70 -5.418 10.964 1.624 1.00 75.24 C ATOM 1103 CG ASP A 70 -6.531 11.625 2.414 1.00 61.35 C ATOM 1104 OD1 ASP A 70 -7.438 12.210 1.787 1.00 13.44 O ATOM 1105 OD2 ASP A 70 -6.502 11.576 3.665 1.00 3.13 O ATOM 0 H ASP A 70 -5.840 13.093 0.472 1.00 43.14 H new ATOM 0 HA ASP A 70 -3.745 12.184 2.213 1.00 73.33 H new ATOM 0 HB2 ASP A 70 -5.823 10.557 0.697 1.00 75.24 H new ATOM 0 HB3 ASP A 70 -5.018 10.124 2.193 1.00 75.24 H new ATOM 1110 N LEU A 71 -3.459 11.631 -0.965 1.00 10.53 N ATOM 1111 CA LEU A 71 -2.581 11.137 -2.023 1.00 45.25 C ATOM 1112 C LEU A 71 -1.185 11.750 -1.879 1.00 72.41 C ATOM 1113 O LEU A 71 -0.182 11.041 -1.919 1.00 1.14 O ATOM 1114 CB LEU A 71 -3.197 11.465 -3.400 1.00 2.42 C ATOM 1115 CG LEU A 71 -2.472 10.896 -4.641 1.00 52.32 C ATOM 1116 CD1 LEU A 71 -3.432 10.817 -5.826 1.00 0.42 C ATOM 1117 CD2 LEU A 71 -1.251 11.741 -5.015 1.00 21.13 C ATOM 0 H LEU A 71 -4.203 12.244 -1.298 1.00 10.53 H new ATOM 0 HA LEU A 71 -2.480 10.055 -1.939 1.00 45.25 H new ATOM 0 HB2 LEU A 71 -4.224 11.099 -3.409 1.00 2.42 H new ATOM 0 HB3 LEU A 71 -3.244 12.549 -3.502 1.00 2.42 H new ATOM 0 HG LEU A 71 -2.125 9.894 -4.390 1.00 52.32 H new ATOM 0 HD11 LEU A 71 -2.908 10.415 -6.693 1.00 0.42 H new ATOM 0 HD12 LEU A 71 -4.269 10.166 -5.574 1.00 0.42 H new ATOM 0 HD13 LEU A 71 -3.806 11.814 -6.059 1.00 0.42 H new ATOM 0 HD21 LEU A 71 -0.766 11.312 -5.892 1.00 21.13 H new ATOM 0 HD22 LEU A 71 -1.568 12.760 -5.238 1.00 21.13 H new ATOM 0 HD23 LEU A 71 -0.549 11.754 -4.182 1.00 21.13 H new ATOM 1129 N ASP A 72 -1.131 13.071 -1.705 1.00 71.22 N ATOM 1130 CA ASP A 72 0.139 13.762 -1.478 1.00 31.13 C ATOM 1131 C ASP A 72 0.818 13.247 -0.198 1.00 51.32 C ATOM 1132 O ASP A 72 2.007 12.940 -0.194 1.00 51.13 O ATOM 1133 CB ASP A 72 -0.087 15.276 -1.393 1.00 12.32 C ATOM 1134 CG ASP A 72 1.205 16.044 -1.163 1.00 51.12 C ATOM 1135 OD1 ASP A 72 2.085 16.015 -2.045 1.00 31.40 O ATOM 1136 OD2 ASP A 72 1.344 16.696 -0.106 1.00 20.45 O ATOM 0 H ASP A 72 -1.948 13.682 -1.717 1.00 71.22 H new ATOM 0 HA ASP A 72 0.799 13.554 -2.321 1.00 31.13 H new ATOM 0 HB2 ASP A 72 -0.553 15.623 -2.315 1.00 12.32 H new ATOM 0 HB3 ASP A 72 -0.784 15.492 -0.583 1.00 12.32 H new ATOM 1141 N ARG A 73 0.041 13.141 0.881 1.00 44.15 N ATOM 1142 CA ARG A 73 0.540 12.619 2.162 1.00 64.14 C ATOM 1143 C ARG A 73 1.158 11.216 1.994 1.00 34.00 C ATOM 1144 O ARG A 73 2.286 10.954 2.435 1.00 33.51 O ATOM 1145 CB ARG A 73 -0.607 12.572 3.184 1.00 62.14 C ATOM 1146 CG ARG A 73 -0.170 12.192 4.599 1.00 74.22 C ATOM 1147 CD ARG A 73 -1.347 12.173 5.569 1.00 40.25 C ATOM 1148 NE ARG A 73 -2.300 11.098 5.271 1.00 61.14 N ATOM 1149 CZ ARG A 73 -3.548 11.288 4.928 1.00 41.22 C ATOM 1150 NH1 ARG A 73 -4.018 12.484 4.762 1.00 1.51 N ATOM 1151 NH2 ARG A 73 -4.328 10.274 4.737 1.00 2.14 N ATOM 0 H ARG A 73 -0.943 13.411 0.896 1.00 44.15 H new ATOM 0 HA ARG A 73 1.322 13.287 2.522 1.00 64.14 H new ATOM 0 HB2 ARG A 73 -1.091 13.548 3.215 1.00 62.14 H new ATOM 0 HB3 ARG A 73 -1.354 11.856 2.842 1.00 62.14 H new ATOM 0 HG2 ARG A 73 0.303 11.210 4.582 1.00 74.22 H new ATOM 0 HG3 ARG A 73 0.580 12.901 4.951 1.00 74.22 H new ATOM 0 HD2 ARG A 73 -0.974 12.053 6.586 1.00 40.25 H new ATOM 0 HD3 ARG A 73 -1.862 13.133 5.530 1.00 40.25 H new ATOM 0 HE ARG A 73 -1.966 10.136 5.336 1.00 61.14 H new ATOM 0 HH11 ARG A 73 -3.413 13.293 4.899 1.00 1.51 H new ATOM 0 HH12 ARG A 73 -4.993 12.616 4.494 1.00 1.51 H new ATOM 0 HH21 ARG A 73 -3.970 9.326 4.854 1.00 2.14 H new ATOM 0 HH22 ARG A 73 -5.301 10.422 4.470 1.00 2.14 H new ATOM 1165 N GLN A 74 0.411 10.317 1.354 1.00 1.44 N ATOM 1166 CA GLN A 74 0.897 8.964 1.067 1.00 24.01 C ATOM 1167 C GLN A 74 2.132 9.014 0.152 1.00 73.21 C ATOM 1168 O GLN A 74 3.103 8.283 0.352 1.00 44.30 O ATOM 1169 CB GLN A 74 -0.213 8.127 0.411 1.00 71.12 C ATOM 1170 CG GLN A 74 0.154 6.656 0.228 1.00 52.34 C ATOM 1171 CD GLN A 74 -0.975 5.814 -0.344 1.00 72.34 C ATOM 1172 OE1 GLN A 74 -2.150 6.116 -0.170 1.00 61.14 O ATOM 1173 NE2 GLN A 74 -0.631 4.726 -1.005 1.00 4.14 N ATOM 0 H GLN A 74 -0.536 10.500 1.023 1.00 1.44 H new ATOM 0 HA GLN A 74 1.183 8.495 2.009 1.00 24.01 H new ATOM 0 HB2 GLN A 74 -1.115 8.194 1.020 1.00 71.12 H new ATOM 0 HB3 GLN A 74 -0.453 8.556 -0.562 1.00 71.12 H new ATOM 0 HG2 GLN A 74 1.019 6.585 -0.432 1.00 52.34 H new ATOM 0 HG3 GLN A 74 0.453 6.242 1.191 1.00 52.34 H new ATOM 0 HE21 GLN A 74 0.355 4.499 -1.135 1.00 4.14 H new ATOM 0 HE22 GLN A 74 -1.351 4.112 -1.386 1.00 4.14 H new ATOM 1182 N LYS A 75 2.082 9.901 -0.839 1.00 31.23 N ATOM 1183 CA LYS A 75 3.180 10.092 -1.791 1.00 23.23 C ATOM 1184 C LYS A 75 4.482 10.510 -1.087 1.00 10.42 C ATOM 1185 O LYS A 75 5.551 9.986 -1.394 1.00 12.41 O ATOM 1186 CB LYS A 75 2.773 11.135 -2.843 1.00 30.32 C ATOM 1187 CG LYS A 75 3.874 11.510 -3.829 1.00 61.22 C ATOM 1188 CD LYS A 75 3.331 12.357 -4.978 1.00 3.13 C ATOM 1189 CE LYS A 75 4.441 12.853 -5.897 1.00 42.42 C ATOM 1190 NZ LYS A 75 5.302 13.869 -5.237 1.00 53.41 N ATOM 0 H LYS A 75 1.280 10.509 -1.007 1.00 31.23 H new ATOM 0 HA LYS A 75 3.375 9.139 -2.282 1.00 23.23 H new ATOM 0 HB2 LYS A 75 1.919 10.753 -3.402 1.00 30.32 H new ATOM 0 HB3 LYS A 75 2.441 12.038 -2.330 1.00 30.32 H new ATOM 0 HG2 LYS A 75 4.658 12.060 -3.309 1.00 61.22 H new ATOM 0 HG3 LYS A 75 4.331 10.604 -4.228 1.00 61.22 H new ATOM 0 HD2 LYS A 75 2.618 11.769 -5.556 1.00 3.13 H new ATOM 0 HD3 LYS A 75 2.787 13.211 -4.573 1.00 3.13 H new ATOM 0 HE2 LYS A 75 5.054 12.009 -6.212 1.00 42.42 H new ATOM 0 HE3 LYS A 75 4.001 13.281 -6.798 1.00 42.42 H new ATOM 0 HZ1 LYS A 75 5.860 14.372 -5.957 1.00 53.41 H new ATOM 0 HZ2 LYS A 75 4.705 14.549 -4.724 1.00 53.41 H new ATOM 0 HZ3 LYS A 75 5.944 13.398 -4.568 1.00 53.41 H new ATOM 1204 N GLN A 76 4.385 11.442 -0.136 1.00 3.45 N ATOM 1205 CA GLN A 76 5.556 11.883 0.638 1.00 10.22 C ATOM 1206 C GLN A 76 6.210 10.697 1.362 1.00 12.43 C ATOM 1207 O GLN A 76 7.431 10.529 1.338 1.00 31.44 O ATOM 1208 CB GLN A 76 5.159 12.957 1.667 1.00 50.15 C ATOM 1209 CG GLN A 76 4.476 14.183 1.063 1.00 25.23 C ATOM 1210 CD GLN A 76 5.351 14.938 0.075 1.00 41.32 C ATOM 1211 OE1 GLN A 76 6.576 14.973 0.201 1.00 74.02 O ATOM 1212 NE2 GLN A 76 4.738 15.549 -0.922 1.00 51.51 N ATOM 0 H GLN A 76 3.513 11.906 0.119 1.00 3.45 H new ATOM 0 HA GLN A 76 6.273 12.310 -0.063 1.00 10.22 H new ATOM 0 HB2 GLN A 76 4.491 12.509 2.403 1.00 50.15 H new ATOM 0 HB3 GLN A 76 6.053 13.280 2.202 1.00 50.15 H new ATOM 0 HG2 GLN A 76 3.561 13.869 0.560 1.00 25.23 H new ATOM 0 HG3 GLN A 76 4.182 14.858 1.866 1.00 25.23 H new ATOM 0 HE21 GLN A 76 3.722 15.503 -1.001 1.00 51.51 H new ATOM 0 HE22 GLN A 76 5.280 16.067 -1.613 1.00 51.51 H new ATOM 1221 N LYS A 77 5.379 9.876 2.001 1.00 71.21 N ATOM 1222 CA LYS A 77 5.860 8.688 2.715 1.00 61.21 C ATOM 1223 C LYS A 77 6.465 7.646 1.758 1.00 65.35 C ATOM 1224 O LYS A 77 7.468 7.005 2.078 1.00 11.11 O ATOM 1225 CB LYS A 77 4.718 8.075 3.536 1.00 71.23 C ATOM 1226 CG LYS A 77 4.274 8.960 4.694 1.00 34.31 C ATOM 1227 CD LYS A 77 5.376 9.101 5.742 1.00 42.13 C ATOM 1228 CE LYS A 77 5.043 10.163 6.783 1.00 30.23 C ATOM 1229 NZ LYS A 77 5.059 11.532 6.204 1.00 20.11 N ATOM 0 H LYS A 77 4.368 10.009 2.041 1.00 71.21 H new ATOM 0 HA LYS A 77 6.658 9.002 3.389 1.00 61.21 H new ATOM 0 HB2 LYS A 77 3.867 7.889 2.881 1.00 71.23 H new ATOM 0 HB3 LYS A 77 5.037 7.109 3.926 1.00 71.23 H new ATOM 0 HG2 LYS A 77 4.000 9.945 4.317 1.00 34.31 H new ATOM 0 HG3 LYS A 77 3.382 8.537 5.156 1.00 34.31 H new ATOM 0 HD2 LYS A 77 5.529 8.143 6.238 1.00 42.13 H new ATOM 0 HD3 LYS A 77 6.314 9.358 5.249 1.00 42.13 H new ATOM 0 HE2 LYS A 77 4.060 9.960 7.207 1.00 30.23 H new ATOM 0 HE3 LYS A 77 5.761 10.107 7.601 1.00 30.23 H new ATOM 0 HZ1 LYS A 77 5.065 12.234 6.972 1.00 20.11 H new ATOM 0 HZ2 LYS A 77 5.911 11.652 5.619 1.00 20.11 H new ATOM 0 HZ3 LYS A 77 4.213 11.670 5.616 1.00 20.11 H new ATOM 1243 N LEU A 78 5.857 7.483 0.584 1.00 24.32 N ATOM 1244 CA LEU A 78 6.385 6.580 -0.446 1.00 11.13 C ATOM 1245 C LEU A 78 7.749 7.061 -0.959 1.00 72.03 C ATOM 1246 O LEU A 78 8.694 6.280 -1.083 1.00 42.32 O ATOM 1247 CB LEU A 78 5.385 6.463 -1.605 1.00 34.02 C ATOM 1248 CG LEU A 78 4.106 5.674 -1.281 1.00 75.32 C ATOM 1249 CD1 LEU A 78 3.089 5.796 -2.413 1.00 3.10 C ATOM 1250 CD2 LEU A 78 4.444 4.208 -1.013 1.00 54.14 C ATOM 0 H LEU A 78 4.997 7.964 0.319 1.00 24.32 H new ATOM 0 HA LEU A 78 6.526 5.596 0.001 1.00 11.13 H new ATOM 0 HB2 LEU A 78 5.104 7.466 -1.925 1.00 34.02 H new ATOM 0 HB3 LEU A 78 5.884 5.987 -2.449 1.00 34.02 H new ATOM 0 HG LEU A 78 3.658 6.098 -0.382 1.00 75.32 H new ATOM 0 HD11 LEU A 78 2.193 5.229 -2.160 1.00 3.10 H new ATOM 0 HD12 LEU A 78 2.827 6.844 -2.555 1.00 3.10 H new ATOM 0 HD13 LEU A 78 3.520 5.402 -3.333 1.00 3.10 H new ATOM 0 HD21 LEU A 78 3.530 3.660 -0.785 1.00 54.14 H new ATOM 0 HD22 LEU A 78 4.915 3.776 -1.896 1.00 54.14 H new ATOM 0 HD23 LEU A 78 5.128 4.141 -0.167 1.00 54.14 H new ATOM 1262 N GLU A 79 7.855 8.355 -1.246 1.00 21.14 N ATOM 1263 CA GLU A 79 9.128 8.937 -1.676 1.00 3.51 C ATOM 1264 C GLU A 79 10.174 8.865 -0.556 1.00 1.15 C ATOM 1265 O GLU A 79 11.371 8.761 -0.819 1.00 4.51 O ATOM 1266 CB GLU A 79 8.931 10.383 -2.144 1.00 65.43 C ATOM 1267 CG GLU A 79 8.016 10.502 -3.360 1.00 52.33 C ATOM 1268 CD GLU A 79 7.904 11.926 -3.875 1.00 5.34 C ATOM 1269 OE1 GLU A 79 8.734 12.327 -4.717 1.00 1.23 O ATOM 1270 OE2 GLU A 79 6.989 12.653 -3.439 1.00 3.43 O ATOM 0 H GLU A 79 7.082 9.019 -1.190 1.00 21.14 H new ATOM 0 HA GLU A 79 9.498 8.352 -2.518 1.00 3.51 H new ATOM 0 HB2 GLU A 79 8.514 10.970 -1.325 1.00 65.43 H new ATOM 0 HB3 GLU A 79 9.902 10.816 -2.384 1.00 65.43 H new ATOM 0 HG2 GLU A 79 8.393 9.861 -4.157 1.00 52.33 H new ATOM 0 HG3 GLU A 79 7.023 10.136 -3.099 1.00 52.33 H new ATOM 1277 N ALA A 80 9.715 8.907 0.697 1.00 40.25 N ATOM 1278 CA ALA A 80 10.595 8.696 1.852 1.00 12.15 C ATOM 1279 C ALA A 80 11.240 7.298 1.808 1.00 23.34 C ATOM 1280 O ALA A 80 12.391 7.117 2.212 1.00 52.01 O ATOM 1281 CB ALA A 80 9.822 8.886 3.152 1.00 22.13 C ATOM 0 H ALA A 80 8.740 9.085 0.939 1.00 40.25 H new ATOM 0 HA ALA A 80 11.393 9.437 1.809 1.00 12.15 H new ATOM 0 HB1 ALA A 80 10.489 8.726 3.999 1.00 22.13 H new ATOM 0 HB2 ALA A 80 9.421 9.899 3.192 1.00 22.13 H new ATOM 0 HB3 ALA A 80 9.002 8.169 3.196 1.00 22.13 H new ATOM 1287 N GLU A 81 10.488 6.320 1.297 1.00 2.30 N ATOM 1288 CA GLU A 81 11.001 4.957 1.089 1.00 54.54 C ATOM 1289 C GLU A 81 12.086 4.932 -0.007 1.00 71.40 C ATOM 1290 O GLU A 81 12.914 4.019 -0.061 1.00 35.12 O ATOM 1291 CB GLU A 81 9.851 4.020 0.685 1.00 4.21 C ATOM 1292 CG GLU A 81 8.755 3.864 1.738 1.00 75.44 C ATOM 1293 CD GLU A 81 9.141 2.925 2.873 1.00 61.44 C ATOM 1294 OE1 GLU A 81 9.222 1.704 2.626 1.00 13.13 O ATOM 1295 OE2 GLU A 81 9.344 3.395 4.014 1.00 20.32 O ATOM 0 H GLU A 81 9.515 6.445 1.017 1.00 2.30 H new ATOM 0 HA GLU A 81 11.444 4.618 2.026 1.00 54.54 H new ATOM 0 HB2 GLU A 81 9.402 4.394 -0.235 1.00 4.21 H new ATOM 0 HB3 GLU A 81 10.264 3.036 0.461 1.00 4.21 H new ATOM 0 HG2 GLU A 81 8.516 4.844 2.151 1.00 75.44 H new ATOM 0 HG3 GLU A 81 7.850 3.491 1.258 1.00 75.44 H new ATOM 1302 N GLY A 82 12.077 5.952 -0.867 1.00 54.51 N ATOM 1303 CA GLY A 82 12.996 6.009 -2.002 1.00 23.11 C ATOM 1304 C GLY A 82 12.298 5.777 -3.343 1.00 11.22 C ATOM 1305 O GLY A 82 12.950 5.529 -4.360 1.00 64.42 O ATOM 0 H GLY A 82 11.444 6.749 -0.798 1.00 54.51 H new ATOM 0 HA2 GLY A 82 13.487 6.982 -2.017 1.00 23.11 H new ATOM 0 HA3 GLY A 82 13.776 5.260 -1.870 1.00 23.11 H new ATOM 1309 N ILE A 83 10.967 5.867 -3.342 1.00 20.14 N ATOM 1310 CA ILE A 83 10.160 5.606 -4.543 1.00 22.34 C ATOM 1311 C ILE A 83 9.913 6.886 -5.361 1.00 52.41 C ATOM 1312 O ILE A 83 9.535 7.924 -4.814 1.00 1.05 O ATOM 1313 CB ILE A 83 8.794 4.982 -4.155 1.00 51.23 C ATOM 1314 CG1 ILE A 83 9.012 3.722 -3.300 1.00 63.43 C ATOM 1315 CG2 ILE A 83 7.968 4.655 -5.403 1.00 75.51 C ATOM 1316 CD1 ILE A 83 7.730 3.080 -2.811 1.00 31.43 C ATOM 0 H ILE A 83 10.419 6.120 -2.520 1.00 20.14 H new ATOM 0 HA ILE A 83 10.726 4.908 -5.159 1.00 22.34 H new ATOM 0 HB ILE A 83 8.236 5.710 -3.567 1.00 51.23 H new ATOM 0 HG12 ILE A 83 9.572 2.992 -3.884 1.00 63.43 H new ATOM 0 HG13 ILE A 83 9.628 3.982 -2.439 1.00 63.43 H new ATOM 0 HG21 ILE A 83 7.015 4.219 -5.104 1.00 75.51 H new ATOM 0 HG22 ILE A 83 7.787 5.569 -5.969 1.00 75.51 H new ATOM 0 HG23 ILE A 83 8.513 3.945 -6.024 1.00 75.51 H new ATOM 0 HD11 ILE A 83 7.968 2.198 -2.216 1.00 31.43 H new ATOM 0 HD12 ILE A 83 7.177 3.792 -2.199 1.00 31.43 H new ATOM 0 HD13 ILE A 83 7.121 2.787 -3.666 1.00 31.43 H new ATOM 1328 N GLU A 84 10.136 6.810 -6.672 1.00 62.23 N ATOM 1329 CA GLU A 84 9.844 7.933 -7.573 1.00 13.03 C ATOM 1330 C GLU A 84 8.354 7.957 -7.959 1.00 45.10 C ATOM 1331 O GLU A 84 7.935 7.299 -8.915 1.00 32.30 O ATOM 1332 CB GLU A 84 10.718 7.845 -8.834 1.00 62.04 C ATOM 1333 CG GLU A 84 10.488 8.977 -9.836 1.00 14.22 C ATOM 1334 CD GLU A 84 11.301 8.810 -11.112 1.00 53.35 C ATOM 1335 OE1 GLU A 84 10.864 8.058 -12.010 1.00 22.34 O ATOM 1336 OE2 GLU A 84 12.385 9.421 -11.223 1.00 25.24 O ATOM 0 H GLU A 84 10.517 5.986 -7.137 1.00 62.23 H new ATOM 0 HA GLU A 84 10.074 8.859 -7.047 1.00 13.03 H new ATOM 0 HB2 GLU A 84 11.767 7.846 -8.536 1.00 62.04 H new ATOM 0 HB3 GLU A 84 10.528 6.893 -9.329 1.00 62.04 H new ATOM 0 HG2 GLU A 84 9.429 9.022 -10.089 1.00 14.22 H new ATOM 0 HG3 GLU A 84 10.745 9.928 -9.369 1.00 14.22 H new ATOM 1343 N VAL A 85 7.554 8.700 -7.197 1.00 64.12 N ATOM 1344 CA VAL A 85 6.112 8.800 -7.453 1.00 51.03 C ATOM 1345 C VAL A 85 5.765 10.095 -8.206 1.00 54.12 C ATOM 1346 O VAL A 85 6.234 11.177 -7.845 1.00 43.12 O ATOM 1347 CB VAL A 85 5.300 8.763 -6.133 1.00 44.21 C ATOM 1348 CG1 VAL A 85 3.800 8.718 -6.419 1.00 64.33 C ATOM 1349 CG2 VAL A 85 5.726 7.582 -5.263 1.00 53.31 C ATOM 0 H VAL A 85 7.877 9.243 -6.396 1.00 64.12 H new ATOM 0 HA VAL A 85 5.845 7.940 -8.068 1.00 51.03 H new ATOM 0 HB VAL A 85 5.511 9.679 -5.581 1.00 44.21 H new ATOM 0 HG11 VAL A 85 3.251 8.693 -5.478 1.00 64.33 H new ATOM 0 HG12 VAL A 85 3.511 9.604 -6.984 1.00 64.33 H new ATOM 0 HG13 VAL A 85 3.567 7.825 -6.999 1.00 64.33 H new ATOM 0 HG21 VAL A 85 5.142 7.578 -4.343 1.00 53.31 H new ATOM 0 HG22 VAL A 85 5.556 6.651 -5.804 1.00 53.31 H new ATOM 0 HG23 VAL A 85 6.785 7.672 -5.020 1.00 53.31 H new ATOM 1359 N SER A 86 4.951 9.981 -9.254 1.00 43.23 N ATOM 1360 CA SER A 86 4.486 11.163 -9.999 1.00 63.13 C ATOM 1361 C SER A 86 3.288 11.818 -9.301 1.00 52.30 C ATOM 1362 O SER A 86 2.574 11.167 -8.531 1.00 2.54 O ATOM 1363 CB SER A 86 4.116 10.800 -11.445 1.00 44.25 C ATOM 1364 OG SER A 86 3.565 11.911 -12.136 1.00 64.23 O ATOM 0 H SER A 86 4.599 9.092 -9.609 1.00 43.23 H new ATOM 0 HA SER A 86 5.310 11.877 -10.022 1.00 63.13 H new ATOM 0 HB2 SER A 86 5.003 10.447 -11.971 1.00 44.25 H new ATOM 0 HB3 SER A 86 3.399 9.979 -11.443 1.00 44.25 H new ATOM 0 HG SER A 86 3.342 11.648 -13.053 1.00 64.23 H new ATOM 1370 N GLU A 87 3.063 13.097 -9.609 1.00 64.02 N ATOM 1371 CA GLU A 87 2.086 13.947 -8.897 1.00 34.02 C ATOM 1372 C GLU A 87 0.729 13.261 -8.636 1.00 4.21 C ATOM 1373 O GLU A 87 0.189 13.353 -7.531 1.00 33.14 O ATOM 1374 CB GLU A 87 1.866 15.254 -9.678 1.00 72.41 C ATOM 1375 CG GLU A 87 1.334 15.054 -11.094 1.00 31.11 C ATOM 1376 CD GLU A 87 1.177 16.363 -11.848 1.00 21.35 C ATOM 1377 OE1 GLU A 87 0.123 17.017 -11.705 1.00 44.52 O ATOM 1378 OE2 GLU A 87 2.115 16.751 -12.580 1.00 75.51 O ATOM 0 H GLU A 87 3.552 13.581 -10.362 1.00 64.02 H new ATOM 0 HA GLU A 87 2.518 14.150 -7.917 1.00 34.02 H new ATOM 0 HB2 GLU A 87 1.167 15.882 -9.125 1.00 72.41 H new ATOM 0 HB3 GLU A 87 2.810 15.797 -9.730 1.00 72.41 H new ATOM 0 HG2 GLU A 87 2.012 14.401 -11.644 1.00 31.11 H new ATOM 0 HG3 GLU A 87 0.370 14.547 -11.048 1.00 31.11 H new ATOM 1385 N ILE A 88 0.184 12.569 -9.637 1.00 10.22 N ATOM 1386 CA ILE A 88 -1.139 11.927 -9.507 1.00 42.20 C ATOM 1387 C ILE A 88 -1.061 10.569 -8.781 1.00 74.11 C ATOM 1388 O ILE A 88 -1.958 9.728 -8.909 1.00 53.23 O ATOM 1389 CB ILE A 88 -1.805 11.713 -10.892 1.00 60.43 C ATOM 1390 CG1 ILE A 88 -0.941 10.795 -11.777 1.00 13.24 C ATOM 1391 CG2 ILE A 88 -2.056 13.056 -11.578 1.00 40.01 C ATOM 1392 CD1 ILE A 88 -1.623 10.372 -13.061 1.00 32.31 C ATOM 0 H ILE A 88 0.629 12.435 -10.545 1.00 10.22 H new ATOM 0 HA ILE A 88 -1.744 12.610 -8.911 1.00 42.20 H new ATOM 0 HB ILE A 88 -2.767 11.223 -10.740 1.00 60.43 H new ATOM 0 HG12 ILE A 88 -0.012 11.310 -12.022 1.00 13.24 H new ATOM 0 HG13 ILE A 88 -0.672 9.905 -11.208 1.00 13.24 H new ATOM 0 HG21 ILE A 88 -2.523 12.887 -12.548 1.00 40.01 H new ATOM 0 HG22 ILE A 88 -2.715 13.664 -10.958 1.00 40.01 H new ATOM 0 HG23 ILE A 88 -1.108 13.576 -11.718 1.00 40.01 H new ATOM 0 HD11 ILE A 88 -0.955 9.728 -13.633 1.00 32.31 H new ATOM 0 HD12 ILE A 88 -2.538 9.828 -12.825 1.00 32.31 H new ATOM 0 HD13 ILE A 88 -1.868 11.255 -13.651 1.00 32.31 H new ATOM 1404 N GLY A 89 0.001 10.361 -8.006 1.00 24.34 N ATOM 1405 CA GLY A 89 0.193 9.083 -7.330 1.00 54.11 C ATOM 1406 C GLY A 89 0.551 7.963 -8.297 1.00 30.54 C ATOM 1407 O GLY A 89 0.181 6.808 -8.092 1.00 52.42 O ATOM 0 H GLY A 89 0.732 11.051 -7.833 1.00 24.34 H new ATOM 0 HA2 GLY A 89 0.983 9.184 -6.586 1.00 54.11 H new ATOM 0 HA3 GLY A 89 -0.718 8.819 -6.793 1.00 54.11 H new ATOM 1411 N LYS A 90 1.276 8.318 -9.355 1.00 51.23 N ATOM 1412 CA LYS A 90 1.673 7.369 -10.405 1.00 25.44 C ATOM 1413 C LYS A 90 2.950 6.609 -10.016 1.00 25.00 C ATOM 1414 O LYS A 90 4.024 7.198 -9.886 1.00 50.44 O ATOM 1415 CB LYS A 90 1.866 8.134 -11.732 1.00 41.40 C ATOM 1416 CG LYS A 90 2.735 7.448 -12.801 1.00 63.05 C ATOM 1417 CD LYS A 90 1.972 6.446 -13.673 1.00 23.42 C ATOM 1418 CE LYS A 90 1.826 5.073 -13.021 1.00 40.24 C ATOM 1419 NZ LYS A 90 1.424 4.036 -14.011 1.00 70.51 N ATOM 0 H LYS A 90 1.607 9.270 -9.513 1.00 51.23 H new ATOM 0 HA LYS A 90 0.885 6.627 -10.529 1.00 25.44 H new ATOM 0 HB2 LYS A 90 0.883 8.324 -12.162 1.00 41.40 H new ATOM 0 HB3 LYS A 90 2.307 9.104 -11.505 1.00 41.40 H new ATOM 0 HG2 LYS A 90 3.175 8.212 -13.442 1.00 63.05 H new ATOM 0 HG3 LYS A 90 3.559 6.932 -12.309 1.00 63.05 H new ATOM 0 HD2 LYS A 90 0.981 6.845 -13.892 1.00 23.42 H new ATOM 0 HD3 LYS A 90 2.489 6.336 -14.626 1.00 23.42 H new ATOM 0 HE2 LYS A 90 2.770 4.788 -12.557 1.00 40.24 H new ATOM 0 HE3 LYS A 90 1.083 5.125 -12.225 1.00 40.24 H new ATOM 0 HZ1 LYS A 90 1.334 3.116 -13.533 1.00 70.51 H new ATOM 0 HZ2 LYS A 90 0.511 4.296 -14.435 1.00 70.51 H new ATOM 0 HZ3 LYS A 90 2.146 3.970 -14.757 1.00 70.51 H new ATOM 1433 N ILE A 91 2.811 5.297 -9.818 1.00 52.15 N ATOM 1434 CA ILE A 91 3.942 4.425 -9.481 1.00 72.40 C ATOM 1435 C ILE A 91 4.103 3.314 -10.531 1.00 13.44 C ATOM 1436 O ILE A 91 3.112 2.766 -11.024 1.00 10.12 O ATOM 1437 CB ILE A 91 3.744 3.773 -8.087 1.00 40.25 C ATOM 1438 CG1 ILE A 91 3.512 4.851 -7.016 1.00 63.45 C ATOM 1439 CG2 ILE A 91 4.947 2.898 -7.719 1.00 42.42 C ATOM 1440 CD1 ILE A 91 3.224 4.288 -5.639 1.00 35.21 C ATOM 0 H ILE A 91 1.918 4.809 -9.886 1.00 52.15 H new ATOM 0 HA ILE A 91 4.838 5.045 -9.465 1.00 72.40 H new ATOM 0 HB ILE A 91 2.861 3.135 -8.132 1.00 40.25 H new ATOM 0 HG12 ILE A 91 4.392 5.491 -6.960 1.00 63.45 H new ATOM 0 HG13 ILE A 91 2.678 5.482 -7.323 1.00 63.45 H new ATOM 0 HG21 ILE A 91 4.786 2.451 -6.738 1.00 42.42 H new ATOM 0 HG22 ILE A 91 5.064 2.109 -8.462 1.00 42.42 H new ATOM 0 HG23 ILE A 91 5.848 3.510 -7.695 1.00 42.42 H new ATOM 0 HD11 ILE A 91 3.071 5.107 -4.936 1.00 35.21 H new ATOM 0 HD12 ILE A 91 2.326 3.671 -5.679 1.00 35.21 H new ATOM 0 HD13 ILE A 91 4.067 3.680 -5.311 1.00 35.21 H new ATOM 1452 N ALA A 92 5.346 2.989 -10.878 1.00 13.44 N ATOM 1453 CA ALA A 92 5.626 1.900 -11.818 1.00 21.14 C ATOM 1454 C ALA A 92 5.867 0.572 -11.078 1.00 72.40 C ATOM 1455 O ALA A 92 6.966 0.317 -10.577 1.00 73.42 O ATOM 1456 CB ALA A 92 6.825 2.253 -12.695 1.00 22.43 C ATOM 0 H ALA A 92 6.177 3.463 -10.524 1.00 13.44 H new ATOM 0 HA ALA A 92 4.752 1.770 -12.456 1.00 21.14 H new ATOM 0 HB1 ALA A 92 7.022 1.435 -13.388 1.00 22.43 H new ATOM 0 HB2 ALA A 92 6.610 3.162 -13.257 1.00 22.43 H new ATOM 0 HB3 ALA A 92 7.701 2.414 -12.066 1.00 22.43 H new ATOM 1462 N LEU A 93 4.837 -0.272 -11.006 1.00 71.04 N ATOM 1463 CA LEU A 93 4.936 -1.561 -10.308 1.00 61.44 C ATOM 1464 C LEU A 93 6.027 -2.450 -10.926 1.00 63.41 C ATOM 1465 O LEU A 93 6.727 -3.165 -10.221 1.00 62.23 O ATOM 1466 CB LEU A 93 3.581 -2.286 -10.320 1.00 23.10 C ATOM 1467 CG LEU A 93 2.445 -1.564 -9.571 1.00 61.54 C ATOM 1468 CD1 LEU A 93 1.144 -2.359 -9.658 1.00 13.11 C ATOM 1469 CD2 LEU A 93 2.829 -1.319 -8.112 1.00 71.12 C ATOM 0 H LEU A 93 3.924 -0.089 -11.421 1.00 71.04 H new ATOM 0 HA LEU A 93 5.216 -1.359 -9.274 1.00 61.44 H new ATOM 0 HB2 LEU A 93 3.275 -2.434 -11.356 1.00 23.10 H new ATOM 0 HB3 LEU A 93 3.712 -3.275 -9.882 1.00 23.10 H new ATOM 0 HG LEU A 93 2.286 -0.598 -10.050 1.00 61.54 H new ATOM 0 HD11 LEU A 93 0.357 -1.829 -9.122 1.00 13.11 H new ATOM 0 HD12 LEU A 93 0.857 -2.474 -10.703 1.00 13.11 H new ATOM 0 HD13 LEU A 93 1.288 -3.343 -9.211 1.00 13.11 H new ATOM 0 HD21 LEU A 93 2.013 -0.808 -7.602 1.00 71.12 H new ATOM 0 HD22 LEU A 93 3.023 -2.273 -7.622 1.00 71.12 H new ATOM 0 HD23 LEU A 93 3.726 -0.701 -8.071 1.00 71.12 H new ATOM 1481 N ARG A 94 6.185 -2.372 -12.246 1.00 34.24 N ATOM 1482 CA ARG A 94 7.252 -3.097 -12.960 1.00 63.51 C ATOM 1483 C ARG A 94 8.655 -2.804 -12.387 1.00 50.31 C ATOM 1484 O ARG A 94 9.627 -3.478 -12.731 1.00 65.41 O ATOM 1485 CB ARG A 94 7.212 -2.741 -14.454 1.00 4.33 C ATOM 1486 CG ARG A 94 7.244 -1.238 -14.726 1.00 44.14 C ATOM 1487 CD ARG A 94 7.069 -0.914 -16.210 1.00 71.21 C ATOM 1488 NE ARG A 94 6.769 0.501 -16.423 1.00 32.34 N ATOM 1489 CZ ARG A 94 5.559 1.000 -16.401 1.00 41.22 C ATOM 1490 NH1 ARG A 94 4.537 0.225 -16.220 1.00 62.31 N ATOM 1491 NH2 ARG A 94 5.372 2.268 -16.576 1.00 72.14 N ATOM 0 H ARG A 94 5.586 -1.812 -12.853 1.00 34.24 H new ATOM 0 HA ARG A 94 7.066 -4.162 -12.824 1.00 63.51 H new ATOM 0 HB2 ARG A 94 8.060 -3.210 -14.953 1.00 4.33 H new ATOM 0 HB3 ARG A 94 6.309 -3.162 -14.895 1.00 4.33 H new ATOM 0 HG2 ARG A 94 6.454 -0.750 -14.154 1.00 44.14 H new ATOM 0 HG3 ARG A 94 8.191 -0.828 -14.376 1.00 44.14 H new ATOM 0 HD2 ARG A 94 7.978 -1.178 -16.750 1.00 71.21 H new ATOM 0 HD3 ARG A 94 6.265 -1.523 -16.623 1.00 71.21 H new ATOM 0 HE ARG A 94 7.548 1.136 -16.599 1.00 32.34 H new ATOM 0 HH11 ARG A 94 4.673 -0.778 -16.094 1.00 62.31 H new ATOM 0 HH12 ARG A 94 3.596 0.618 -16.203 1.00 62.31 H new ATOM 0 HH21 ARG A 94 6.170 2.884 -16.732 1.00 72.14 H new ATOM 0 HH22 ARG A 94 4.427 2.651 -16.558 1.00 72.14 H new ATOM 1505 N LYS A 95 8.757 -1.780 -11.536 1.00 34.15 N ATOM 1506 CA LYS A 95 10.018 -1.438 -10.862 1.00 71.12 C ATOM 1507 C LYS A 95 9.960 -1.751 -9.353 1.00 34.23 C ATOM 1508 O LYS A 95 10.902 -2.308 -8.788 1.00 13.54 O ATOM 1509 CB LYS A 95 10.332 0.055 -11.054 1.00 44.33 C ATOM 1510 CG LYS A 95 10.458 0.484 -12.513 1.00 42.33 C ATOM 1511 CD LYS A 95 10.763 1.976 -12.643 1.00 31.20 C ATOM 1512 CE LYS A 95 12.069 2.351 -11.953 1.00 1.41 C ATOM 1513 NZ LYS A 95 12.384 3.793 -12.112 1.00 41.31 N ATOM 0 H LYS A 95 7.978 -1.168 -11.294 1.00 34.15 H new ATOM 0 HA LYS A 95 10.803 -2.046 -11.311 1.00 71.12 H new ATOM 0 HB2 LYS A 95 9.547 0.644 -10.580 1.00 44.33 H new ATOM 0 HB3 LYS A 95 11.262 0.289 -10.536 1.00 44.33 H new ATOM 0 HG2 LYS A 95 11.249 -0.092 -12.994 1.00 42.33 H new ATOM 0 HG3 LYS A 95 9.532 0.255 -13.040 1.00 42.33 H new ATOM 0 HD2 LYS A 95 10.820 2.244 -13.698 1.00 31.20 H new ATOM 0 HD3 LYS A 95 9.945 2.553 -12.211 1.00 31.20 H new ATOM 0 HE2 LYS A 95 12.002 2.109 -10.892 1.00 1.41 H new ATOM 0 HE3 LYS A 95 12.882 1.754 -12.366 1.00 1.41 H new ATOM 0 HZ1 LYS A 95 13.279 4.008 -11.629 1.00 41.31 H new ATOM 0 HZ2 LYS A 95 12.473 4.019 -13.123 1.00 41.31 H new ATOM 0 HZ3 LYS A 95 11.620 4.363 -11.696 1.00 41.31 H new ATOM 1527 N TYR A 96 8.848 -1.389 -8.709 1.00 2.04 N ATOM 1528 CA TYR A 96 8.729 -1.473 -7.242 1.00 30.33 C ATOM 1529 C TYR A 96 7.842 -2.643 -6.770 1.00 2.32 C ATOM 1530 O TYR A 96 7.456 -2.697 -5.600 1.00 1.41 O ATOM 1531 CB TYR A 96 8.169 -0.151 -6.700 1.00 31.12 C ATOM 1532 CG TYR A 96 9.074 1.040 -6.950 1.00 35.33 C ATOM 1533 CD1 TYR A 96 10.054 1.392 -6.029 1.00 12.33 C ATOM 1534 CD2 TYR A 96 8.949 1.813 -8.101 1.00 24.42 C ATOM 1535 CE1 TYR A 96 10.879 2.476 -6.245 1.00 21.03 C ATOM 1536 CE2 TYR A 96 9.776 2.899 -8.324 1.00 1.15 C ATOM 1537 CZ TYR A 96 10.737 3.226 -7.393 1.00 44.53 C ATOM 1538 OH TYR A 96 11.559 4.310 -7.606 1.00 62.21 O ATOM 0 H TYR A 96 8.014 -1.034 -9.176 1.00 2.04 H new ATOM 0 HA TYR A 96 9.729 -1.659 -6.851 1.00 30.33 H new ATOM 0 HB2 TYR A 96 7.199 0.038 -7.159 1.00 31.12 H new ATOM 0 HB3 TYR A 96 8.001 -0.250 -5.628 1.00 31.12 H new ATOM 0 HD1 TYR A 96 10.171 0.807 -5.129 1.00 12.33 H new ATOM 0 HD2 TYR A 96 8.194 1.561 -8.831 1.00 24.42 H new ATOM 0 HE1 TYR A 96 11.634 2.736 -5.517 1.00 21.03 H new ATOM 0 HE2 TYR A 96 9.669 3.487 -9.223 1.00 1.15 H new ATOM 0 HH TYR A 96 11.331 4.731 -8.461 1.00 62.21 H new ATOM 1548 N LYS A 97 7.532 -3.575 -7.663 1.00 3.10 N ATOM 1549 CA LYS A 97 6.714 -4.743 -7.302 1.00 33.11 C ATOM 1550 C LYS A 97 7.394 -5.606 -6.223 1.00 14.41 C ATOM 1551 O LYS A 97 8.504 -6.107 -6.416 1.00 45.23 O ATOM 1552 CB LYS A 97 6.423 -5.605 -8.543 1.00 53.34 C ATOM 1553 CG LYS A 97 7.676 -6.037 -9.306 1.00 33.42 C ATOM 1554 CD LYS A 97 7.361 -7.023 -10.428 1.00 42.50 C ATOM 1555 CE LYS A 97 6.832 -8.349 -9.888 1.00 12.43 C ATOM 1556 NZ LYS A 97 6.644 -9.353 -10.969 1.00 64.31 N ATOM 0 H LYS A 97 7.829 -3.552 -8.639 1.00 3.10 H new ATOM 0 HA LYS A 97 5.777 -4.364 -6.895 1.00 33.11 H new ATOM 0 HB2 LYS A 97 5.873 -6.494 -8.235 1.00 53.34 H new ATOM 0 HB3 LYS A 97 5.774 -5.046 -9.217 1.00 53.34 H new ATOM 0 HG2 LYS A 97 8.165 -5.157 -9.725 1.00 33.42 H new ATOM 0 HG3 LYS A 97 8.382 -6.493 -8.612 1.00 33.42 H new ATOM 0 HD2 LYS A 97 6.623 -6.585 -11.100 1.00 42.50 H new ATOM 0 HD3 LYS A 97 8.261 -7.203 -11.016 1.00 42.50 H new ATOM 0 HE2 LYS A 97 7.526 -8.741 -9.145 1.00 12.43 H new ATOM 0 HE3 LYS A 97 5.883 -8.181 -9.380 1.00 12.43 H new ATOM 0 HZ1 LYS A 97 6.284 -10.239 -10.561 1.00 64.31 H new ATOM 0 HZ2 LYS A 97 5.962 -8.990 -11.665 1.00 64.31 H new ATOM 0 HZ3 LYS A 97 7.555 -9.533 -11.438 1.00 64.31 H new ATOM 1570 N TRP A 98 6.733 -5.769 -5.079 1.00 52.34 N ATOM 1571 CA TRP A 98 7.227 -6.687 -4.050 1.00 51.12 C ATOM 1572 C TRP A 98 7.080 -8.143 -4.512 1.00 2.52 C ATOM 1573 O TRP A 98 6.035 -8.538 -5.029 1.00 20.44 O ATOM 1574 CB TRP A 98 6.493 -6.486 -2.715 1.00 53.14 C ATOM 1575 CG TRP A 98 6.910 -7.480 -1.664 1.00 34.11 C ATOM 1576 CD1 TRP A 98 8.189 -7.826 -1.326 1.00 22.24 C ATOM 1577 CD2 TRP A 98 6.053 -8.258 -0.819 1.00 44.23 C ATOM 1578 NE1 TRP A 98 8.177 -8.774 -0.336 1.00 41.44 N ATOM 1579 CE2 TRP A 98 6.879 -9.052 0.000 1.00 72.21 C ATOM 1580 CE3 TRP A 98 4.669 -8.361 -0.674 1.00 55.15 C ATOM 1581 CZ2 TRP A 98 6.367 -9.933 0.948 1.00 24.32 C ATOM 1582 CZ3 TRP A 98 4.161 -9.234 0.269 1.00 15.32 C ATOM 1583 CH2 TRP A 98 5.006 -10.011 1.070 1.00 11.54 C ATOM 0 H TRP A 98 5.867 -5.286 -4.841 1.00 52.34 H new ATOM 0 HA TRP A 98 8.283 -6.465 -3.894 1.00 51.12 H new ATOM 0 HB2 TRP A 98 6.683 -5.477 -2.350 1.00 53.14 H new ATOM 0 HB3 TRP A 98 5.419 -6.568 -2.880 1.00 53.14 H new ATOM 0 HD1 TRP A 98 9.080 -7.412 -1.774 1.00 22.24 H new ATOM 0 HE1 TRP A 98 9.002 -9.203 0.083 1.00 41.44 H new ATOM 0 HE3 TRP A 98 4.007 -7.769 -1.288 1.00 55.15 H new ATOM 0 HZ2 TRP A 98 7.020 -10.533 1.565 1.00 24.32 H new ATOM 0 HZ3 TRP A 98 3.091 -9.318 0.390 1.00 15.32 H new ATOM 0 HH2 TRP A 98 4.576 -10.684 1.797 1.00 11.54 H new ATOM 1594 N GLN A 99 8.133 -8.933 -4.325 1.00 34.14 N ATOM 1595 CA GLN A 99 8.139 -10.335 -4.753 1.00 33.34 C ATOM 1596 C GLN A 99 8.012 -11.289 -3.550 1.00 13.23 C ATOM 1597 O GLN A 99 9.005 -11.598 -2.890 1.00 30.44 O ATOM 1598 CB GLN A 99 9.437 -10.633 -5.516 1.00 2.43 C ATOM 1599 CG GLN A 99 9.741 -9.645 -6.636 1.00 64.43 C ATOM 1600 CD GLN A 99 11.081 -9.916 -7.297 1.00 31.45 C ATOM 1601 OE1 GLN A 99 12.114 -9.416 -6.861 1.00 33.03 O ATOM 1602 NE2 GLN A 99 11.078 -10.699 -8.354 1.00 54.13 N ATOM 0 H GLN A 99 8.998 -8.628 -3.879 1.00 34.14 H new ATOM 0 HA GLN A 99 7.280 -10.497 -5.404 1.00 33.34 H new ATOM 0 HB2 GLN A 99 10.268 -10.634 -4.811 1.00 2.43 H new ATOM 0 HB3 GLN A 99 9.376 -11.636 -5.938 1.00 2.43 H new ATOM 0 HG2 GLN A 99 8.952 -9.696 -7.386 1.00 64.43 H new ATOM 0 HG3 GLN A 99 9.735 -8.632 -6.235 1.00 64.43 H new ATOM 0 HE21 GLN A 99 10.202 -11.098 -8.690 1.00 54.13 H new ATOM 0 HE22 GLN A 99 11.952 -10.907 -8.837 1.00 54.13 H new ATOM 1611 N PRO A 100 6.789 -11.762 -3.233 1.00 52.11 N ATOM 1612 CA PRO A 100 6.574 -12.720 -2.129 1.00 4.10 C ATOM 1613 C PRO A 100 7.191 -14.102 -2.409 1.00 74.22 C ATOM 1614 O PRO A 100 7.282 -14.947 -1.520 1.00 54.40 O ATOM 1615 CB PRO A 100 5.043 -12.811 -2.033 1.00 63.30 C ATOM 1616 CG PRO A 100 4.555 -12.430 -3.391 1.00 44.23 C ATOM 1617 CD PRO A 100 5.523 -11.392 -3.896 1.00 62.34 C ATOM 0 HA PRO A 100 7.053 -12.391 -1.207 1.00 4.10 H new ATOM 0 HB2 PRO A 100 4.722 -13.818 -1.765 1.00 63.30 H new ATOM 0 HB3 PRO A 100 4.653 -12.138 -1.269 1.00 63.30 H new ATOM 0 HG2 PRO A 100 4.527 -13.295 -4.054 1.00 44.23 H new ATOM 0 HG3 PRO A 100 3.542 -12.031 -3.345 1.00 44.23 H new ATOM 0 HD2 PRO A 100 5.614 -11.420 -4.982 1.00 62.34 H new ATOM 0 HD3 PRO A 100 5.208 -10.383 -3.629 1.00 62.34 H new