USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 906 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 61 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 66 SER OG : rot 42:sc= 0.212 USER MOD Set 2.1: A 36 ASN : amide:sc= 1.13 K(o=2.1,f=0.3) USER MOD Set 2.2: A 50 ASN : amide:sc= 0.962 K(o=2.1,f=0.3) USER MOD Set 3.1: A 41 MET CE :methyl -146:sc= -0.457 (180deg=-1.68!) USER MOD Set 3.2: A 44 ASN : amide:sc= -0.0273 K(o=-0.48,f=-1.4) USER MOD Set 4.1: A 10 TYR OH : rot -101:sc= 1.67 USER MOD Set 4.2: A 59 SER OG : rot 56:sc= 0.232 USER MOD Set 4.3: A 60 THR OG1 : rot 180:sc= 1.07 USER MOD Set 5.1: A 3 HIS : no HE2:sc= -2.69 K(o=-2.6,f=-3.8!) USER MOD Set 5.2: A 28 SER OG : rot 81:sc= 0.0463 USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0863 (180deg=0) USER MOD Single : A 2 SER OG : rot 76:sc= 0.958 USER MOD Single : A 4 MET CE :methyl 160:sc= -0.0123 (180deg=-0.744) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.223 X(o=-0.22,f=-0.069) USER MOD Single : A 19 HIS : no HD1:sc= -1.61 K(o=-1.6,f=-2.3!) USER MOD Single : A 23 THR OG1 : rot 160:sc= 0 USER MOD Single : A 33 THR OG1 : rot 74:sc= 1.25 USER MOD Single : A 40 GLN : amide:sc= -0.0426 X(o=-0.043,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 0:sc= 1.2 USER MOD Single : A 47 MET CE :methyl -154:sc= 0 (180deg=-0.0783) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.0394 X(o=-0.039,f=0) USER MOD Single : A 53 THR OG1 : rot 88:sc= 0.399 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc=-0.00727 X(o=-0.0073,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.32 X(o=-0.32,f=-0.019) USER MOD Single : A 68 SER OG : rot -157:sc= 0.453 USER MOD Single : A 75 SER OG : rot 74:sc= 1.14 USER MOD Single : A 76 GLN : amide:sc= -0.0141 X(o=-0.014,f=-0.014) USER MOD Single : A 83 GLN : amide:sc= 0.514 K(o=0.51,f=0) USER MOD Single : A 86 TYR OH : rot -52:sc= 1.28 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 130:sc= 0.393 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -0.526 X(o=-0.53,f=-0.046) USER MOD Single : A 102 HIS : no HD1:sc= -0.0329 X(o=-0.033,f=-0.17) USER MOD Single : A 103 TYR OH : rot 150:sc= -0.137 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 109 MET CE :methyl -121:sc= -2.09 (180deg=-3.9!) USER MOD Single : A 113 ASN : amide:sc= 0.813 K(o=0.81,f=-0.88) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 148:sc= 2.31 (180deg=0.0637) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.037 -2.412 11.891 1.00 0.00 N ATOM 2 CA GLY A 1 -14.919 -3.036 10.897 1.00 0.00 C ATOM 3 C GLY A 1 -14.201 -4.189 10.209 1.00 0.00 C ATOM 4 O GLY A 1 -12.980 -4.333 10.316 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.516 -2.389 12.814 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.159 -2.963 11.970 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.811 -1.441 11.594 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.825 -3.399 11.381 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.227 -2.297 10.158 1.00 0.00 H new ATOM 8 N SER A 2 -14.962 -5.035 9.514 1.00 0.00 N ATOM 9 CA SER A 2 -14.501 -6.255 8.858 1.00 0.00 C ATOM 10 C SER A 2 -13.302 -6.026 7.927 1.00 0.00 C ATOM 11 O SER A 2 -12.366 -6.817 7.960 1.00 0.00 O ATOM 12 CB SER A 2 -15.674 -6.865 8.072 1.00 0.00 C ATOM 13 OG SER A 2 -16.605 -5.863 7.674 1.00 0.00 O ATOM 0 H SER A 2 -15.962 -4.880 9.388 1.00 0.00 H new ATOM 0 HA SER A 2 -14.156 -6.938 9.634 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.295 -7.383 7.191 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.179 -7.610 8.687 1.00 0.00 H new ATOM 0 HG SER A 2 -16.239 -5.357 6.919 1.00 0.00 H new ATOM 19 N HIS A 3 -13.343 -4.953 7.127 1.00 0.00 N ATOM 20 CA HIS A 3 -12.479 -4.516 6.027 1.00 0.00 C ATOM 21 C HIS A 3 -12.186 -5.557 4.930 1.00 0.00 C ATOM 22 O HIS A 3 -12.337 -5.229 3.754 1.00 0.00 O ATOM 23 CB HIS A 3 -11.219 -3.788 6.526 1.00 0.00 C ATOM 24 CG HIS A 3 -10.008 -4.674 6.667 1.00 0.00 C ATOM 25 ND1 HIS A 3 -9.807 -5.647 7.618 1.00 0.00 N ATOM 26 CD2 HIS A 3 -8.971 -4.752 5.779 1.00 0.00 C ATOM 27 CE1 HIS A 3 -8.688 -6.308 7.299 1.00 0.00 C ATOM 28 NE2 HIS A 3 -8.160 -5.813 6.169 1.00 0.00 N ATOM 0 H HIS A 3 -14.094 -4.275 7.259 1.00 0.00 H new ATOM 0 HA HIS A 3 -13.091 -3.786 5.498 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -10.984 -2.978 5.836 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -11.435 -3.331 7.492 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -10.405 -5.832 8.424 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -8.811 -4.106 4.928 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -8.269 -7.124 7.870 1.00 0.00 H new ATOM 36 N MET A 4 -11.795 -6.791 5.269 1.00 0.00 N ATOM 37 CA MET A 4 -11.434 -7.843 4.317 1.00 0.00 C ATOM 38 C MET A 4 -12.564 -8.105 3.328 1.00 0.00 C ATOM 39 O MET A 4 -12.292 -8.446 2.189 1.00 0.00 O ATOM 40 CB MET A 4 -11.087 -9.155 5.043 1.00 0.00 C ATOM 41 CG MET A 4 -9.655 -9.211 5.591 1.00 0.00 C ATOM 42 SD MET A 4 -8.393 -9.934 4.496 1.00 0.00 S ATOM 43 CE MET A 4 -7.937 -8.515 3.465 1.00 0.00 C ATOM 0 H MET A 4 -11.720 -7.092 6.241 1.00 0.00 H new ATOM 0 HA MET A 4 -10.557 -7.491 3.773 1.00 0.00 H new ATOM 0 HB2 MET A 4 -11.785 -9.296 5.868 1.00 0.00 H new ATOM 0 HB3 MET A 4 -11.234 -9.988 4.355 1.00 0.00 H new ATOM 0 HG2 MET A 4 -9.347 -8.196 5.844 1.00 0.00 H new ATOM 0 HG3 MET A 4 -9.667 -9.781 6.520 1.00 0.00 H new ATOM 0 HE1 MET A 4 -6.962 -8.694 3.011 1.00 0.00 H new ATOM 0 HE2 MET A 4 -8.683 -8.380 2.682 1.00 0.00 H new ATOM 0 HE3 MET A 4 -7.891 -7.617 4.081 1.00 0.00 H new ATOM 53 N GLU A 5 -13.821 -7.924 3.734 1.00 0.00 N ATOM 54 CA GLU A 5 -14.978 -8.043 2.852 1.00 0.00 C ATOM 55 C GLU A 5 -14.826 -7.166 1.607 1.00 0.00 C ATOM 56 O GLU A 5 -15.031 -7.642 0.489 1.00 0.00 O ATOM 57 CB GLU A 5 -16.316 -7.826 3.591 1.00 0.00 C ATOM 58 CG GLU A 5 -16.332 -6.864 4.773 1.00 0.00 C ATOM 59 CD GLU A 5 -16.474 -5.371 4.507 1.00 0.00 C ATOM 60 OE1 GLU A 5 -17.178 -4.957 3.560 1.00 0.00 O ATOM 61 OE2 GLU A 5 -15.944 -4.623 5.363 1.00 0.00 O ATOM 0 H GLU A 5 -14.065 -7.688 4.696 1.00 0.00 H new ATOM 0 HA GLU A 5 -15.011 -9.075 2.502 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -17.046 -7.473 2.863 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -16.663 -8.797 3.945 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -17.151 -7.161 5.428 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -15.407 -7.013 5.331 1.00 0.00 H new ATOM 68 N VAL A 6 -14.453 -5.896 1.769 1.00 0.00 N ATOM 69 CA VAL A 6 -14.205 -5.019 0.631 1.00 0.00 C ATOM 70 C VAL A 6 -13.012 -5.541 -0.170 1.00 0.00 C ATOM 71 O VAL A 6 -13.073 -5.581 -1.399 1.00 0.00 O ATOM 72 CB VAL A 6 -13.971 -3.577 1.115 1.00 0.00 C ATOM 73 CG1 VAL A 6 -13.692 -2.620 -0.051 1.00 0.00 C ATOM 74 CG2 VAL A 6 -15.186 -3.060 1.899 1.00 0.00 C ATOM 0 H VAL A 6 -14.317 -5.454 2.678 1.00 0.00 H new ATOM 0 HA VAL A 6 -15.077 -5.012 -0.023 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.095 -3.604 1.764 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.533 -1.613 0.335 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.801 -2.949 -0.586 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -14.544 -2.617 -0.731 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -14.997 -2.039 2.231 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -16.067 -3.076 1.257 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -15.358 -3.698 2.766 1.00 0.00 H new ATOM 84 N PHE A 7 -11.934 -5.954 0.499 1.00 0.00 N ATOM 85 CA PHE A 7 -10.667 -6.300 -0.127 1.00 0.00 C ATOM 86 C PHE A 7 -10.479 -7.806 -0.193 1.00 0.00 C ATOM 87 O PHE A 7 -9.422 -8.324 0.156 1.00 0.00 O ATOM 88 CB PHE A 7 -9.505 -5.624 0.587 1.00 0.00 C ATOM 89 CG PHE A 7 -9.642 -4.135 0.762 1.00 0.00 C ATOM 90 CD1 PHE A 7 -9.647 -3.274 -0.352 1.00 0.00 C ATOM 91 CD2 PHE A 7 -9.663 -3.611 2.060 1.00 0.00 C ATOM 92 CE1 PHE A 7 -9.629 -1.882 -0.164 1.00 0.00 C ATOM 93 CE2 PHE A 7 -9.605 -2.229 2.247 1.00 0.00 C ATOM 94 CZ PHE A 7 -9.575 -1.368 1.141 1.00 0.00 C ATOM 0 H PHE A 7 -11.923 -6.058 1.514 1.00 0.00 H new ATOM 0 HA PHE A 7 -10.687 -5.929 -1.152 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -9.388 -6.080 1.570 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -8.590 -5.826 0.031 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -9.665 -3.684 -1.351 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -9.724 -4.272 2.912 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -9.656 -1.215 -1.013 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -9.583 -1.822 3.247 1.00 0.00 H new ATOM 0 HZ PHE A 7 -9.510 -0.301 1.294 1.00 0.00 H new ATOM 104 N ALA A 8 -11.493 -8.494 -0.697 1.00 0.00 N ATOM 105 CA ALA A 8 -11.414 -9.899 -1.055 1.00 0.00 C ATOM 106 C ALA A 8 -11.862 -10.106 -2.507 1.00 0.00 C ATOM 107 O ALA A 8 -11.388 -11.019 -3.184 1.00 0.00 O ATOM 108 CB ALA A 8 -12.251 -10.670 -0.040 1.00 0.00 C ATOM 0 H ALA A 8 -12.410 -8.082 -0.871 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.391 -10.273 -1.015 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.218 -11.734 -0.274 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.851 -10.506 0.961 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.283 -10.322 -0.080 1.00 0.00 H new ATOM 114 N GLU A 9 -12.723 -9.235 -3.032 1.00 0.00 N ATOM 115 CA GLU A 9 -13.333 -9.401 -4.349 1.00 0.00 C ATOM 116 C GLU A 9 -12.354 -9.075 -5.497 1.00 0.00 C ATOM 117 O GLU A 9 -12.621 -9.413 -6.645 1.00 0.00 O ATOM 118 CB GLU A 9 -14.630 -8.573 -4.413 1.00 0.00 C ATOM 119 CG GLU A 9 -15.637 -9.044 -3.346 1.00 0.00 C ATOM 120 CD GLU A 9 -16.927 -8.229 -3.351 1.00 0.00 C ATOM 121 OE1 GLU A 9 -16.908 -7.070 -2.878 1.00 0.00 O ATOM 122 OE2 GLU A 9 -17.975 -8.770 -3.777 1.00 0.00 O ATOM 0 H GLU A 9 -13.019 -8.386 -2.550 1.00 0.00 H new ATOM 0 HA GLU A 9 -13.588 -10.451 -4.491 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -14.401 -7.518 -4.262 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -15.075 -8.663 -5.404 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -15.875 -10.094 -3.516 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -15.174 -8.977 -2.361 1.00 0.00 H new ATOM 129 N TYR A 10 -11.207 -8.450 -5.219 1.00 0.00 N ATOM 130 CA TYR A 10 -10.046 -8.369 -6.111 1.00 0.00 C ATOM 131 C TYR A 10 -9.270 -9.692 -6.044 1.00 0.00 C ATOM 132 O TYR A 10 -8.983 -10.312 -7.066 1.00 0.00 O ATOM 133 CB TYR A 10 -9.205 -7.150 -5.679 1.00 0.00 C ATOM 134 CG TYR A 10 -7.897 -6.861 -6.403 1.00 0.00 C ATOM 135 CD1 TYR A 10 -7.902 -6.446 -7.749 1.00 0.00 C ATOM 136 CD2 TYR A 10 -6.675 -6.867 -5.697 1.00 0.00 C ATOM 137 CE1 TYR A 10 -6.704 -6.065 -8.384 1.00 0.00 C ATOM 138 CE2 TYR A 10 -5.476 -6.482 -6.325 1.00 0.00 C ATOM 139 CZ TYR A 10 -5.483 -6.080 -7.676 1.00 0.00 C ATOM 140 OH TYR A 10 -4.330 -5.665 -8.276 1.00 0.00 O ATOM 0 H TYR A 10 -11.055 -7.968 -4.333 1.00 0.00 H new ATOM 0 HA TYR A 10 -10.335 -8.227 -7.152 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.835 -6.266 -5.773 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.976 -7.267 -4.620 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -8.832 -6.420 -8.298 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.660 -7.171 -4.661 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.720 -5.759 -9.420 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.549 -6.495 -5.771 1.00 0.00 H new ATOM 0 HH TYR A 10 -3.806 -6.446 -8.553 1.00 0.00 H new ATOM 150 N LEU A 11 -8.993 -10.164 -4.825 1.00 0.00 N ATOM 151 CA LEU A 11 -8.213 -11.357 -4.481 1.00 0.00 C ATOM 152 C LEU A 11 -8.808 -12.639 -5.049 1.00 0.00 C ATOM 153 O LEU A 11 -8.060 -13.596 -5.244 1.00 0.00 O ATOM 154 CB LEU A 11 -8.086 -11.472 -2.949 1.00 0.00 C ATOM 155 CG LEU A 11 -7.293 -10.377 -2.215 1.00 0.00 C ATOM 156 CD1 LEU A 11 -5.830 -10.309 -2.656 1.00 0.00 C ATOM 157 CD2 LEU A 11 -7.831 -8.960 -2.329 1.00 0.00 C ATOM 0 H LEU A 11 -9.334 -9.687 -3.990 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.229 -11.237 -4.934 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.092 -11.496 -2.530 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.622 -12.432 -2.722 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.400 -10.703 -1.180 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.320 -9.519 -2.105 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.344 -11.264 -2.454 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.781 -10.096 -3.724 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.187 -8.280 -1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.851 -8.662 -3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.841 -8.920 -1.921 1.00 0.00 H new ATOM 169 N LYS A 12 -10.106 -12.686 -5.360 1.00 0.00 N ATOM 170 CA LYS A 12 -10.685 -13.840 -6.045 1.00 0.00 C ATOM 171 C LYS A 12 -10.010 -14.015 -7.413 1.00 0.00 C ATOM 172 O LYS A 12 -9.584 -15.119 -7.743 1.00 0.00 O ATOM 173 CB LYS A 12 -12.227 -13.743 -6.096 1.00 0.00 C ATOM 174 CG LYS A 12 -12.785 -12.719 -7.097 1.00 0.00 C ATOM 175 CD LYS A 12 -14.279 -12.430 -6.885 1.00 0.00 C ATOM 176 CE LYS A 12 -14.738 -11.365 -7.890 1.00 0.00 C ATOM 177 NZ LYS A 12 -16.178 -11.049 -7.797 1.00 0.00 N ATOM 0 H LYS A 12 -10.771 -11.942 -5.149 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.485 -14.752 -5.483 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.629 -14.725 -6.343 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.592 -13.491 -5.101 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.224 -11.789 -7.009 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -12.632 -13.089 -8.111 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -14.860 -13.343 -7.015 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -14.453 -12.084 -5.866 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -14.163 -10.453 -7.729 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -14.514 -11.709 -8.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -16.421 -10.324 -8.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -16.734 -11.909 -7.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -16.394 -10.692 -6.845 1.00 0.00 H new ATOM 191 N GLY A 13 -9.816 -12.919 -8.155 1.00 0.00 N ATOM 192 CA GLY A 13 -9.492 -12.928 -9.576 1.00 0.00 C ATOM 193 C GLY A 13 -8.029 -12.627 -9.905 1.00 0.00 C ATOM 194 O GLY A 13 -7.716 -12.403 -11.079 1.00 0.00 O ATOM 0 H GLY A 13 -9.883 -11.978 -7.768 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.748 -13.905 -9.986 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.121 -12.196 -10.082 1.00 0.00 H new ATOM 198 N ILE A 14 -7.152 -12.594 -8.895 1.00 0.00 N ATOM 199 CA ILE A 14 -5.709 -12.427 -9.042 1.00 0.00 C ATOM 200 C ILE A 14 -5.182 -13.563 -9.923 1.00 0.00 C ATOM 201 O ILE A 14 -5.343 -14.734 -9.586 1.00 0.00 O ATOM 202 CB ILE A 14 -5.036 -12.431 -7.645 1.00 0.00 C ATOM 203 CG1 ILE A 14 -5.354 -11.165 -6.821 1.00 0.00 C ATOM 204 CG2 ILE A 14 -3.514 -12.662 -7.716 1.00 0.00 C ATOM 205 CD1 ILE A 14 -4.458 -9.959 -7.086 1.00 0.00 C ATOM 0 H ILE A 14 -7.441 -12.686 -7.921 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.476 -11.473 -9.515 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.475 -13.281 -7.123 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.387 -10.877 -7.017 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.289 -11.417 -5.763 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.097 -12.655 -6.709 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.314 -13.626 -8.184 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.053 -11.869 -8.305 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.771 -9.128 -6.454 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.424 -10.218 -6.860 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.539 -9.669 -8.134 1.00 0.00 H new ATOM 217 N ASP A 15 -4.505 -13.218 -11.017 1.00 0.00 N ATOM 218 CA ASP A 15 -3.880 -14.159 -11.939 1.00 0.00 C ATOM 219 C ASP A 15 -2.869 -15.092 -11.255 1.00 0.00 C ATOM 220 O ASP A 15 -2.789 -16.272 -11.600 1.00 0.00 O ATOM 221 CB ASP A 15 -3.212 -13.373 -13.077 1.00 0.00 C ATOM 222 CG ASP A 15 -1.949 -12.620 -12.648 1.00 0.00 C ATOM 223 OD1 ASP A 15 -2.085 -11.506 -12.079 1.00 0.00 O ATOM 224 OD2 ASP A 15 -0.843 -13.156 -12.858 1.00 0.00 O ATOM 0 H ASP A 15 -4.373 -12.245 -11.293 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.662 -14.806 -12.335 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -2.957 -14.062 -13.882 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.929 -12.660 -13.483 1.00 0.00 H new ATOM 229 N HIS A 16 -2.131 -14.588 -10.265 1.00 0.00 N ATOM 230 CA HIS A 16 -0.961 -15.210 -9.649 1.00 0.00 C ATOM 231 C HIS A 16 -1.218 -15.512 -8.161 1.00 0.00 C ATOM 232 O HIS A 16 -0.877 -14.697 -7.298 1.00 0.00 O ATOM 233 CB HIS A 16 0.270 -14.317 -9.858 1.00 0.00 C ATOM 234 CG HIS A 16 1.241 -14.752 -10.926 1.00 0.00 C ATOM 235 ND1 HIS A 16 1.847 -15.984 -11.063 1.00 0.00 N ATOM 236 CD2 HIS A 16 1.825 -13.907 -11.827 1.00 0.00 C ATOM 237 CE1 HIS A 16 2.785 -15.871 -12.020 1.00 0.00 C ATOM 238 NE2 HIS A 16 2.834 -14.611 -12.497 1.00 0.00 N ATOM 0 H HIS A 16 -2.347 -13.682 -9.849 1.00 0.00 H new ATOM 0 HA HIS A 16 -0.765 -16.168 -10.131 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -0.075 -13.311 -10.099 1.00 0.00 H new ATOM 0 HB3 HIS A 16 0.809 -14.251 -8.913 1.00 0.00 H new ATOM 0 HD2 HIS A 16 1.555 -12.875 -11.994 1.00 0.00 H new ATOM 0 HE1 HIS A 16 3.414 -16.680 -12.360 1.00 0.00 H new ATOM 0 HE2 HIS A 16 3.475 -14.245 -13.201 1.00 0.00 H new ATOM 246 N PRO A 17 -1.815 -16.665 -7.815 1.00 0.00 N ATOM 247 CA PRO A 17 -2.070 -17.025 -6.422 1.00 0.00 C ATOM 248 C PRO A 17 -0.767 -17.156 -5.618 1.00 0.00 C ATOM 249 O PRO A 17 -0.780 -16.963 -4.402 1.00 0.00 O ATOM 250 CB PRO A 17 -2.828 -18.351 -6.484 1.00 0.00 C ATOM 251 CG PRO A 17 -2.375 -18.970 -7.803 1.00 0.00 C ATOM 252 CD PRO A 17 -2.165 -17.760 -8.705 1.00 0.00 C ATOM 0 HA PRO A 17 -2.645 -16.254 -5.908 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.583 -18.992 -5.637 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.907 -18.196 -6.465 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.457 -19.546 -7.683 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -3.126 -19.648 -8.208 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -1.372 -17.944 -9.430 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.068 -17.532 -9.271 1.00 0.00 H new ATOM 260 N ASP A 18 0.374 -17.418 -6.269 1.00 0.00 N ATOM 261 CA ASP A 18 1.650 -17.677 -5.595 1.00 0.00 C ATOM 262 C ASP A 18 2.163 -16.440 -4.847 1.00 0.00 C ATOM 263 O ASP A 18 3.009 -16.571 -3.966 1.00 0.00 O ATOM 264 CB ASP A 18 2.706 -18.112 -6.617 1.00 0.00 C ATOM 265 CG ASP A 18 2.392 -19.432 -7.305 1.00 0.00 C ATOM 266 OD1 ASP A 18 2.589 -20.516 -6.708 1.00 0.00 O ATOM 267 OD2 ASP A 18 1.999 -19.344 -8.492 1.00 0.00 O ATOM 0 H ASP A 18 0.436 -17.456 -7.286 1.00 0.00 H new ATOM 0 HA ASP A 18 1.476 -18.471 -4.869 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.807 -17.334 -7.374 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.670 -18.195 -6.115 1.00 0.00 H new ATOM 272 N HIS A 19 1.638 -15.248 -5.156 1.00 0.00 N ATOM 273 CA HIS A 19 2.007 -13.966 -4.530 1.00 0.00 C ATOM 274 C HIS A 19 0.755 -13.213 -4.051 1.00 0.00 C ATOM 275 O HIS A 19 0.861 -12.124 -3.484 1.00 0.00 O ATOM 276 CB HIS A 19 2.852 -13.103 -5.489 1.00 0.00 C ATOM 277 CG HIS A 19 3.622 -13.901 -6.513 1.00 0.00 C ATOM 278 ND1 HIS A 19 3.135 -14.226 -7.755 1.00 0.00 N ATOM 279 CD2 HIS A 19 4.726 -14.680 -6.282 1.00 0.00 C ATOM 280 CE1 HIS A 19 3.861 -15.248 -8.220 1.00 0.00 C ATOM 281 NE2 HIS A 19 4.884 -15.523 -7.392 1.00 0.00 N ATOM 0 H HIS A 19 0.920 -15.143 -5.873 1.00 0.00 H new ATOM 0 HA HIS A 19 2.622 -14.179 -3.656 1.00 0.00 H new ATOM 0 HB2 HIS A 19 2.195 -12.404 -6.007 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.553 -12.508 -4.904 1.00 0.00 H new ATOM 0 HD2 HIS A 19 5.358 -14.650 -5.407 1.00 0.00 H new ATOM 0 HE1 HIS A 19 3.654 -15.780 -9.136 1.00 0.00 H new ATOM 0 HE2 HIS A 19 5.626 -16.207 -7.541 1.00 0.00 H new ATOM 289 N ARG A 20 -0.441 -13.782 -4.263 1.00 0.00 N ATOM 290 CA ARG A 20 -1.710 -13.200 -3.843 1.00 0.00 C ATOM 291 C ARG A 20 -1.658 -12.890 -2.358 1.00 0.00 C ATOM 292 O ARG A 20 -1.885 -11.750 -1.970 1.00 0.00 O ATOM 293 CB ARG A 20 -2.875 -14.149 -4.174 1.00 0.00 C ATOM 294 CG ARG A 20 -4.108 -13.695 -3.394 1.00 0.00 C ATOM 295 CD ARG A 20 -5.442 -14.201 -3.905 1.00 0.00 C ATOM 296 NE ARG A 20 -5.514 -15.643 -4.071 1.00 0.00 N ATOM 297 CZ ARG A 20 -5.616 -16.570 -3.106 1.00 0.00 C ATOM 298 NH1 ARG A 20 -5.520 -16.245 -1.819 1.00 0.00 N ATOM 299 NH2 ARG A 20 -5.817 -17.836 -3.444 1.00 0.00 N ATOM 0 H ARG A 20 -0.548 -14.677 -4.741 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.879 -12.271 -4.387 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.079 -14.139 -5.245 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.615 -15.174 -3.909 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.995 -14.012 -2.357 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.132 -12.605 -3.393 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.224 -13.888 -3.214 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.654 -13.726 -4.863 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.484 -15.990 -5.030 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.366 -15.274 -1.548 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.601 -16.967 -1.103 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.892 -18.095 -4.428 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.896 -18.551 -2.720 1.00 0.00 H new ATOM 313 N ASP A 21 -1.391 -13.919 -1.562 1.00 0.00 N ATOM 314 CA ASP A 21 -1.357 -13.877 -0.099 1.00 0.00 C ATOM 315 C ASP A 21 -0.527 -12.694 0.435 1.00 0.00 C ATOM 316 O ASP A 21 -0.889 -12.076 1.431 1.00 0.00 O ATOM 317 CB ASP A 21 -0.805 -15.223 0.414 1.00 0.00 C ATOM 318 CG ASP A 21 -1.484 -15.763 1.673 1.00 0.00 C ATOM 319 OD1 ASP A 21 -1.907 -14.969 2.536 1.00 0.00 O ATOM 320 OD2 ASP A 21 -1.489 -17.006 1.838 1.00 0.00 O ATOM 0 H ASP A 21 -1.183 -14.847 -1.931 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.370 -13.722 0.272 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.902 -15.964 -0.379 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.260 -15.109 0.615 1.00 0.00 H new ATOM 325 N ARG A 22 0.566 -12.307 -0.243 1.00 0.00 N ATOM 326 CA ARG A 22 1.362 -11.122 0.126 1.00 0.00 C ATOM 327 C ARG A 22 0.531 -9.836 0.065 1.00 0.00 C ATOM 328 O ARG A 22 0.689 -8.943 0.888 1.00 0.00 O ATOM 329 CB ARG A 22 2.574 -10.952 -0.807 1.00 0.00 C ATOM 330 CG ARG A 22 3.394 -12.201 -1.150 1.00 0.00 C ATOM 331 CD ARG A 22 4.191 -12.837 -0.001 1.00 0.00 C ATOM 332 NE ARG A 22 3.319 -13.403 1.040 1.00 0.00 N ATOM 333 CZ ARG A 22 3.736 -13.952 2.193 1.00 0.00 C ATOM 334 NH1 ARG A 22 5.031 -14.190 2.386 1.00 0.00 N ATOM 335 NH2 ARG A 22 2.876 -14.283 3.150 1.00 0.00 N ATOM 0 H ARG A 22 0.923 -12.804 -1.059 1.00 0.00 H new ATOM 0 HA ARG A 22 1.698 -11.289 1.149 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.219 -10.518 -1.742 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.247 -10.224 -0.353 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.716 -12.954 -1.552 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.092 -11.942 -1.946 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.834 -13.622 -0.399 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.844 -12.086 0.444 1.00 0.00 H new ATOM 0 HE ARG A 22 2.313 -13.376 0.872 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.707 -13.956 1.659 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.348 -14.607 3.261 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.878 -14.121 3.017 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.214 -14.699 4.018 1.00 0.00 H new ATOM 349 N THR A 23 -0.336 -9.717 -0.931 1.00 0.00 N ATOM 350 CA THR A 23 -1.254 -8.595 -1.073 1.00 0.00 C ATOM 351 C THR A 23 -2.230 -8.577 0.122 1.00 0.00 C ATOM 352 O THR A 23 -2.403 -7.535 0.760 1.00 0.00 O ATOM 353 CB THR A 23 -1.976 -8.693 -2.429 1.00 0.00 C ATOM 354 OG1 THR A 23 -1.043 -8.925 -3.470 1.00 0.00 O ATOM 355 CG2 THR A 23 -2.673 -7.372 -2.738 1.00 0.00 C ATOM 0 H THR A 23 -0.423 -10.409 -1.675 1.00 0.00 H new ATOM 0 HA THR A 23 -0.712 -7.649 -1.063 1.00 0.00 H new ATOM 0 HB THR A 23 -2.693 -9.512 -2.369 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.507 -9.298 -4.248 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.183 -7.446 -3.699 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.401 -7.153 -1.957 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.934 -6.572 -2.780 1.00 0.00 H new ATOM 363 N GLU A 24 -2.857 -9.720 0.432 1.00 0.00 N ATOM 364 CA GLU A 24 -3.733 -9.926 1.592 1.00 0.00 C ATOM 365 C GLU A 24 -3.063 -9.587 2.925 1.00 0.00 C ATOM 366 O GLU A 24 -3.757 -9.140 3.844 1.00 0.00 O ATOM 367 CB GLU A 24 -4.293 -11.365 1.614 1.00 0.00 C ATOM 368 CG GLU A 24 -5.108 -11.602 0.343 1.00 0.00 C ATOM 369 CD GLU A 24 -5.887 -12.922 0.282 1.00 0.00 C ATOM 370 OE1 GLU A 24 -6.921 -13.060 0.973 1.00 0.00 O ATOM 371 OE2 GLU A 24 -5.540 -13.779 -0.562 1.00 0.00 O ATOM 0 H GLU A 24 -2.764 -10.559 -0.141 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.559 -9.225 1.475 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.477 -12.085 1.678 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.918 -11.512 2.495 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.815 -10.780 0.229 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.432 -11.562 -0.511 1.00 0.00 H new ATOM 378 N GLU A 25 -1.742 -9.757 3.043 1.00 0.00 N ATOM 379 CA GLU A 25 -1.010 -9.326 4.228 1.00 0.00 C ATOM 380 C GLU A 25 -1.163 -7.826 4.426 1.00 0.00 C ATOM 381 O GLU A 25 -1.622 -7.390 5.477 1.00 0.00 O ATOM 382 CB GLU A 25 0.490 -9.627 4.160 1.00 0.00 C ATOM 383 CG GLU A 25 0.843 -11.106 4.297 1.00 0.00 C ATOM 384 CD GLU A 25 2.053 -11.242 5.215 1.00 0.00 C ATOM 385 OE1 GLU A 25 1.910 -10.936 6.425 1.00 0.00 O ATOM 386 OE2 GLU A 25 3.154 -11.597 4.750 1.00 0.00 O ATOM 0 H GLU A 25 -1.160 -10.192 2.327 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.439 -9.889 5.056 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.879 -9.259 3.211 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.996 -9.071 4.949 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.003 -11.659 4.704 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.062 -11.533 3.319 1.00 0.00 H new ATOM 393 N ILE A 26 -0.745 -7.042 3.430 1.00 0.00 N ATOM 394 CA ILE A 26 -0.694 -5.580 3.508 1.00 0.00 C ATOM 395 C ILE A 26 -2.079 -5.014 3.827 1.00 0.00 C ATOM 396 O ILE A 26 -2.195 -4.056 4.593 1.00 0.00 O ATOM 397 CB ILE A 26 -0.111 -5.009 2.196 1.00 0.00 C ATOM 398 CG1 ILE A 26 1.380 -5.396 2.059 1.00 0.00 C ATOM 399 CG2 ILE A 26 -0.254 -3.477 2.127 1.00 0.00 C ATOM 400 CD1 ILE A 26 1.831 -5.764 0.644 1.00 0.00 C ATOM 0 H ILE A 26 -0.428 -7.410 2.533 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.034 -5.277 4.321 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.680 -5.440 1.372 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.989 -4.563 2.412 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.582 -6.240 2.718 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.168 -3.114 1.190 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.309 -3.207 2.179 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.278 -3.024 2.964 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.891 -6.019 0.655 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.255 -6.619 0.289 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.669 -4.916 -0.022 1.00 0.00 H new ATOM 412 N LEU A 27 -3.113 -5.613 3.237 1.00 0.00 N ATOM 413 CA LEU A 27 -4.500 -5.248 3.457 1.00 0.00 C ATOM 414 C LEU A 27 -4.837 -5.328 4.947 1.00 0.00 C ATOM 415 O LEU A 27 -5.125 -4.296 5.557 1.00 0.00 O ATOM 416 CB LEU A 27 -5.391 -6.137 2.581 1.00 0.00 C ATOM 417 CG LEU A 27 -5.408 -5.712 1.106 1.00 0.00 C ATOM 418 CD1 LEU A 27 -5.992 -6.824 0.234 1.00 0.00 C ATOM 419 CD2 LEU A 27 -6.168 -4.399 0.912 1.00 0.00 C ATOM 0 H LEU A 27 -3.000 -6.383 2.578 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.681 -4.214 3.163 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.045 -7.168 2.651 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.409 -6.115 2.970 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.378 -5.539 0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.996 -6.505 -0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.384 -7.723 0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.012 -7.038 0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.161 -4.127 -0.143 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.198 -4.521 1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.688 -3.611 1.493 1.00 0.00 H new ATOM 431 N SER A 28 -4.747 -6.522 5.538 1.00 0.00 N ATOM 432 CA SER A 28 -5.044 -6.722 6.948 1.00 0.00 C ATOM 433 C SER A 28 -4.072 -5.967 7.864 1.00 0.00 C ATOM 434 O SER A 28 -4.456 -5.504 8.940 1.00 0.00 O ATOM 435 CB SER A 28 -5.036 -8.223 7.238 1.00 0.00 C ATOM 436 OG SER A 28 -6.306 -8.794 6.972 1.00 0.00 O ATOM 0 H SER A 28 -4.466 -7.372 5.049 1.00 0.00 H new ATOM 0 HA SER A 28 -6.030 -6.310 7.162 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.277 -8.712 6.627 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.766 -8.395 8.280 1.00 0.00 H new ATOM 0 HG SER A 28 -6.395 -8.961 6.010 1.00 0.00 H new ATOM 442 N TRP A 29 -2.822 -5.803 7.436 1.00 0.00 N ATOM 443 CA TRP A 29 -1.795 -5.108 8.186 1.00 0.00 C ATOM 444 C TRP A 29 -2.176 -3.646 8.404 1.00 0.00 C ATOM 445 O TRP A 29 -2.012 -3.176 9.536 1.00 0.00 O ATOM 446 CB TRP A 29 -0.456 -5.259 7.461 1.00 0.00 C ATOM 447 CG TRP A 29 0.661 -4.406 7.958 1.00 0.00 C ATOM 448 CD1 TRP A 29 1.434 -4.655 9.034 1.00 0.00 C ATOM 449 CD2 TRP A 29 1.122 -3.137 7.425 1.00 0.00 C ATOM 450 NE1 TRP A 29 2.340 -3.628 9.202 1.00 0.00 N ATOM 451 CE2 TRP A 29 2.209 -2.675 8.222 1.00 0.00 C ATOM 452 CE3 TRP A 29 0.754 -2.346 6.322 1.00 0.00 C ATOM 453 CZ2 TRP A 29 2.921 -1.505 7.927 1.00 0.00 C ATOM 454 CZ3 TRP A 29 1.458 -1.169 6.022 1.00 0.00 C ATOM 455 CH2 TRP A 29 2.544 -0.745 6.809 1.00 0.00 C ATOM 0 H TRP A 29 -2.495 -6.160 6.538 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.698 -5.551 9.177 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -0.146 -6.302 7.527 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.611 -5.039 6.405 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.356 -5.526 9.668 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.022 -3.582 9.959 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.077 -2.646 5.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.746 -1.193 8.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.160 -0.577 5.169 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.082 0.156 6.555 1.00 0.00 H new ATOM 466 N VAL A 30 -2.704 -2.913 7.404 1.00 0.00 N ATOM 467 CA VAL A 30 -3.007 -1.513 7.698 1.00 0.00 C ATOM 468 C VAL A 30 -4.177 -1.496 8.669 1.00 0.00 C ATOM 469 O VAL A 30 -4.212 -0.697 9.583 1.00 0.00 O ATOM 470 CB VAL A 30 -3.412 -0.656 6.503 1.00 0.00 C ATOM 471 CG1 VAL A 30 -2.343 -0.509 5.412 1.00 0.00 C ATOM 472 CG2 VAL A 30 -4.864 -0.524 6.065 1.00 0.00 C ATOM 0 H VAL A 30 -2.914 -3.239 6.460 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.083 -1.084 8.084 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.433 0.292 7.041 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.728 0.118 4.607 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.451 -0.048 5.836 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.089 -1.492 5.016 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.924 0.132 5.196 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.256 -1.507 5.805 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.453 -0.102 6.879 1.00 0.00 H new ATOM 482 N ALA A 31 -5.151 -2.365 8.456 1.00 0.00 N ATOM 483 CA ALA A 31 -6.320 -2.469 9.316 1.00 0.00 C ATOM 484 C ALA A 31 -5.948 -2.619 10.800 1.00 0.00 C ATOM 485 O ALA A 31 -6.748 -2.199 11.637 1.00 0.00 O ATOM 486 CB ALA A 31 -7.251 -3.569 8.812 1.00 0.00 C ATOM 0 H ALA A 31 -5.154 -3.023 7.677 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.869 -1.529 9.260 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.122 -3.636 9.465 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.575 -3.335 7.798 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.722 -4.522 8.813 1.00 0.00 H new ATOM 492 N ALA A 32 -4.760 -3.141 11.138 1.00 0.00 N ATOM 493 CA ALA A 32 -4.228 -3.174 12.497 1.00 0.00 C ATOM 494 C ALA A 32 -3.248 -2.033 12.833 1.00 0.00 C ATOM 495 O ALA A 32 -3.126 -1.679 14.007 1.00 0.00 O ATOM 496 CB ALA A 32 -3.545 -4.522 12.696 1.00 0.00 C ATOM 0 H ALA A 32 -4.132 -3.561 10.453 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.068 -3.032 13.177 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.136 -4.577 13.705 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.271 -5.322 12.554 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.738 -4.632 11.971 1.00 0.00 H new ATOM 502 N THR A 33 -2.528 -1.472 11.858 1.00 0.00 N ATOM 503 CA THR A 33 -1.489 -0.467 12.093 1.00 0.00 C ATOM 504 C THR A 33 -2.046 0.955 11.941 1.00 0.00 C ATOM 505 O THR A 33 -1.700 1.860 12.701 1.00 0.00 O ATOM 506 CB THR A 33 -0.350 -0.685 11.089 1.00 0.00 C ATOM 507 OG1 THR A 33 0.023 -2.046 10.964 1.00 0.00 O ATOM 508 CG2 THR A 33 0.931 0.021 11.509 1.00 0.00 C ATOM 0 H THR A 33 -2.652 -1.706 10.873 1.00 0.00 H new ATOM 0 HA THR A 33 -1.121 -0.577 13.113 1.00 0.00 H new ATOM 0 HB THR A 33 -0.752 -0.292 10.155 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.664 -2.528 10.459 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.708 -0.163 10.767 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.748 1.093 11.585 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.256 -0.361 12.477 1.00 0.00 H new ATOM 516 N PHE A 34 -2.905 1.143 10.938 1.00 0.00 N ATOM 517 CA PHE A 34 -3.601 2.352 10.529 1.00 0.00 C ATOM 518 C PHE A 34 -5.130 2.178 10.582 1.00 0.00 C ATOM 519 O PHE A 34 -5.806 2.354 9.563 1.00 0.00 O ATOM 520 CB PHE A 34 -3.109 2.860 9.166 1.00 0.00 C ATOM 521 CG PHE A 34 -1.633 2.695 8.917 1.00 0.00 C ATOM 522 CD1 PHE A 34 -0.681 3.122 9.858 1.00 0.00 C ATOM 523 CD2 PHE A 34 -1.212 1.988 7.780 1.00 0.00 C ATOM 524 CE1 PHE A 34 0.653 2.714 9.733 1.00 0.00 C ATOM 525 CE2 PHE A 34 0.117 1.570 7.662 1.00 0.00 C ATOM 526 CZ PHE A 34 1.036 1.883 8.669 1.00 0.00 C ATOM 0 H PHE A 34 -3.153 0.363 10.330 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.356 3.129 11.253 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.655 2.335 8.382 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.361 3.917 9.077 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.977 3.763 10.675 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.917 1.766 6.993 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.387 3.039 10.456 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.433 1.007 6.796 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.039 1.486 8.628 1.00 0.00 H new ATOM 536 N PRO A 35 -5.732 1.844 11.740 1.00 0.00 N ATOM 537 CA PRO A 35 -7.170 1.587 11.842 1.00 0.00 C ATOM 538 C PRO A 35 -8.045 2.813 11.507 1.00 0.00 C ATOM 539 O PRO A 35 -9.246 2.654 11.279 1.00 0.00 O ATOM 540 CB PRO A 35 -7.397 1.068 13.267 1.00 0.00 C ATOM 541 CG PRO A 35 -6.219 1.635 14.053 1.00 0.00 C ATOM 542 CD PRO A 35 -5.091 1.653 13.031 1.00 0.00 C ATOM 0 HA PRO A 35 -7.480 0.854 11.097 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.350 1.411 13.671 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.412 -0.021 13.298 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -6.433 2.634 14.433 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -5.972 1.012 14.913 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.386 2.457 13.241 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.527 0.720 13.054 1.00 0.00 H new ATOM 550 N ASN A 36 -7.465 4.022 11.443 1.00 0.00 N ATOM 551 CA ASN A 36 -8.124 5.256 10.980 1.00 0.00 C ATOM 552 C ASN A 36 -8.480 5.205 9.492 1.00 0.00 C ATOM 553 O ASN A 36 -9.361 5.936 9.041 1.00 0.00 O ATOM 554 CB ASN A 36 -7.209 6.482 11.194 1.00 0.00 C ATOM 555 CG ASN A 36 -7.895 7.547 12.040 1.00 0.00 C ATOM 556 OD1 ASN A 36 -8.161 7.313 13.215 1.00 0.00 O ATOM 557 ND2 ASN A 36 -8.171 8.716 11.501 1.00 0.00 N ATOM 0 H ASN A 36 -6.495 4.174 11.720 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.038 5.343 11.568 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.285 6.168 11.680 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.933 6.905 10.228 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.613 9.445 12.062 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.943 8.893 10.523 1.00 0.00 H new ATOM 564 N LEU A 37 -7.783 4.375 8.711 1.00 0.00 N ATOM 565 CA LEU A 37 -8.098 4.170 7.307 1.00 0.00 C ATOM 566 C LEU A 37 -9.365 3.319 7.225 1.00 0.00 C ATOM 567 O LEU A 37 -9.549 2.386 8.013 1.00 0.00 O ATOM 568 CB LEU A 37 -6.953 3.442 6.583 1.00 0.00 C ATOM 569 CG LEU A 37 -5.653 4.246 6.412 1.00 0.00 C ATOM 570 CD1 LEU A 37 -4.580 3.333 5.818 1.00 0.00 C ATOM 571 CD2 LEU A 37 -5.862 5.448 5.486 1.00 0.00 C ATOM 0 H LEU A 37 -6.986 3.830 9.040 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.242 5.138 6.826 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.724 2.528 7.132 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.305 3.141 5.596 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.343 4.617 7.389 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.654 3.894 5.693 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.407 2.491 6.488 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.914 2.962 4.849 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.926 5.997 5.385 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.186 5.100 4.505 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.623 6.104 5.908 1.00 0.00 H new ATOM 583 N GLU A 38 -10.186 3.580 6.219 1.00 0.00 N ATOM 584 CA GLU A 38 -11.435 2.903 5.912 1.00 0.00 C ATOM 585 C GLU A 38 -11.301 2.238 4.538 1.00 0.00 C ATOM 586 O GLU A 38 -10.547 2.721 3.689 1.00 0.00 O ATOM 587 CB GLU A 38 -12.574 3.934 5.891 1.00 0.00 C ATOM 588 CG GLU A 38 -12.927 4.419 7.301 1.00 0.00 C ATOM 589 CD GLU A 38 -13.736 3.363 8.050 1.00 0.00 C ATOM 590 OE1 GLU A 38 -14.975 3.350 7.899 1.00 0.00 O ATOM 591 OE2 GLU A 38 -13.155 2.465 8.706 1.00 0.00 O ATOM 0 H GLU A 38 -9.982 4.322 5.550 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.656 2.146 6.665 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.283 4.785 5.276 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.456 3.492 5.427 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.014 4.643 7.853 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.498 5.345 7.240 1.00 0.00 H new ATOM 598 N PRO A 39 -12.001 1.123 4.290 1.00 0.00 N ATOM 599 CA PRO A 39 -11.899 0.387 3.035 1.00 0.00 C ATOM 600 C PRO A 39 -12.743 1.037 1.925 1.00 0.00 C ATOM 601 O PRO A 39 -13.872 1.469 2.207 1.00 0.00 O ATOM 602 CB PRO A 39 -12.445 -0.998 3.382 1.00 0.00 C ATOM 603 CG PRO A 39 -13.493 -0.725 4.453 1.00 0.00 C ATOM 604 CD PRO A 39 -12.877 0.435 5.228 1.00 0.00 C ATOM 0 HA PRO A 39 -10.879 0.365 2.652 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.883 -1.484 2.510 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -11.658 -1.656 3.752 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.457 -0.457 4.019 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -13.660 -1.595 5.089 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.649 1.106 5.605 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -12.318 0.074 6.092 1.00 0.00 H new ATOM 612 N GLN A 40 -12.252 1.095 0.673 1.00 0.00 N ATOM 613 CA GLN A 40 -13.057 1.509 -0.464 1.00 0.00 C ATOM 614 C GLN A 40 -12.313 1.096 -1.734 1.00 0.00 C ATOM 615 O GLN A 40 -11.400 1.803 -2.151 1.00 0.00 O ATOM 616 CB GLN A 40 -13.300 3.033 -0.409 1.00 0.00 C ATOM 617 CG GLN A 40 -14.619 3.333 -1.113 1.00 0.00 C ATOM 618 CD GLN A 40 -14.956 4.822 -1.156 1.00 0.00 C ATOM 619 OE1 GLN A 40 -15.307 5.366 -2.202 1.00 0.00 O ATOM 620 NE2 GLN A 40 -14.835 5.531 -0.043 1.00 0.00 N ATOM 0 H GLN A 40 -11.290 0.855 0.434 1.00 0.00 H new ATOM 0 HA GLN A 40 -14.036 1.030 -0.450 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.335 3.375 0.625 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.481 3.566 -0.893 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -14.575 2.948 -2.132 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -15.423 2.800 -0.606 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -14.544 5.076 0.822 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.033 6.532 -0.052 1.00 0.00 H new ATOM 629 N MET A 41 -12.634 -0.051 -2.339 1.00 0.00 N ATOM 630 CA MET A 41 -11.928 -0.448 -3.552 1.00 0.00 C ATOM 631 C MET A 41 -12.344 0.483 -4.695 1.00 0.00 C ATOM 632 O MET A 41 -13.530 0.780 -4.850 1.00 0.00 O ATOM 633 CB MET A 41 -12.088 -1.947 -3.815 1.00 0.00 C ATOM 634 CG MET A 41 -13.258 -2.387 -4.704 1.00 0.00 C ATOM 635 SD MET A 41 -12.973 -3.977 -5.530 1.00 0.00 S ATOM 636 CE MET A 41 -11.500 -3.533 -6.500 1.00 0.00 C ATOM 0 H MET A 41 -13.354 -0.699 -2.020 1.00 0.00 H new ATOM 0 HA MET A 41 -10.851 -0.323 -3.444 1.00 0.00 H new ATOM 0 HB2 MET A 41 -11.166 -2.310 -4.268 1.00 0.00 H new ATOM 0 HB3 MET A 41 -12.189 -2.449 -2.853 1.00 0.00 H new ATOM 0 HG2 MET A 41 -14.160 -2.458 -4.097 1.00 0.00 H new ATOM 0 HG3 MET A 41 -13.440 -1.621 -5.458 1.00 0.00 H new ATOM 0 HE1 MET A 41 -11.515 -4.067 -7.450 1.00 0.00 H new ATOM 0 HE2 MET A 41 -11.498 -2.459 -6.687 1.00 0.00 H new ATOM 0 HE3 MET A 41 -10.603 -3.806 -5.945 1.00 0.00 H new ATOM 646 N LYS A 42 -11.395 0.948 -5.508 1.00 0.00 N ATOM 647 CA LYS A 42 -11.651 1.898 -6.589 1.00 0.00 C ATOM 648 C LYS A 42 -10.636 1.655 -7.691 1.00 0.00 C ATOM 649 O LYS A 42 -9.556 1.129 -7.425 1.00 0.00 O ATOM 650 CB LYS A 42 -11.543 3.335 -6.034 1.00 0.00 C ATOM 651 CG LYS A 42 -12.462 4.340 -6.755 1.00 0.00 C ATOM 652 CD LYS A 42 -13.446 4.995 -5.771 1.00 0.00 C ATOM 653 CE LYS A 42 -14.385 5.973 -6.486 1.00 0.00 C ATOM 654 NZ LYS A 42 -15.268 6.674 -5.526 1.00 0.00 N ATOM 0 H LYS A 42 -10.416 0.672 -5.433 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.653 1.766 -6.998 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.789 3.326 -4.972 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.510 3.673 -6.119 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.858 5.109 -7.236 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.016 3.830 -7.543 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.033 4.223 -5.273 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.890 5.523 -4.996 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.797 6.703 -7.042 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.992 5.432 -7.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.891 7.328 -6.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.846 5.978 -5.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -14.688 7.209 -4.848 1.00 0.00 H new ATOM 668 N TRP A 43 -10.965 2.024 -8.925 1.00 0.00 N ATOM 669 CA TRP A 43 -10.153 1.765 -10.112 1.00 0.00 C ATOM 670 C TRP A 43 -9.767 0.290 -10.265 1.00 0.00 C ATOM 671 O TRP A 43 -8.697 -0.051 -10.765 1.00 0.00 O ATOM 672 CB TRP A 43 -8.985 2.752 -10.145 1.00 0.00 C ATOM 673 CG TRP A 43 -9.280 3.966 -10.957 1.00 0.00 C ATOM 674 CD1 TRP A 43 -10.073 4.998 -10.601 1.00 0.00 C ATOM 675 CD2 TRP A 43 -8.844 4.241 -12.315 1.00 0.00 C ATOM 676 NE1 TRP A 43 -10.138 5.906 -11.637 1.00 0.00 N ATOM 677 CE2 TRP A 43 -9.365 5.507 -12.709 1.00 0.00 C ATOM 678 CE3 TRP A 43 -8.059 3.536 -13.249 1.00 0.00 C ATOM 679 CZ2 TRP A 43 -9.082 6.065 -13.965 1.00 0.00 C ATOM 680 CZ3 TRP A 43 -7.774 4.085 -14.511 1.00 0.00 C ATOM 681 CH2 TRP A 43 -8.273 5.349 -14.865 1.00 0.00 C ATOM 0 H TRP A 43 -11.828 2.526 -9.134 1.00 0.00 H new ATOM 0 HA TRP A 43 -10.749 1.946 -11.007 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -8.740 3.052 -9.126 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.105 2.253 -10.551 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -10.579 5.098 -9.652 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -10.688 6.765 -11.614 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -7.671 2.561 -12.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -9.480 7.031 -14.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -7.168 3.531 -15.213 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -8.035 5.772 -15.830 1.00 0.00 H new ATOM 692 N ASN A 44 -10.668 -0.593 -9.832 1.00 0.00 N ATOM 693 CA ASN A 44 -10.500 -2.052 -9.784 1.00 0.00 C ATOM 694 C ASN A 44 -9.350 -2.480 -8.863 1.00 0.00 C ATOM 695 O ASN A 44 -8.839 -3.591 -8.987 1.00 0.00 O ATOM 696 CB ASN A 44 -10.297 -2.628 -11.197 1.00 0.00 C ATOM 697 CG ASN A 44 -10.690 -4.099 -11.345 1.00 0.00 C ATOM 698 OD1 ASN A 44 -11.285 -4.728 -10.467 1.00 0.00 O ATOM 699 ND2 ASN A 44 -10.434 -4.665 -12.514 1.00 0.00 N ATOM 0 H ASN A 44 -11.582 -0.298 -9.487 1.00 0.00 H new ATOM 0 HA ASN A 44 -11.420 -2.459 -9.364 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -10.879 -2.037 -11.904 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.249 -2.515 -11.474 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -10.729 -5.625 -12.691 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -9.942 -4.141 -13.237 1.00 0.00 H new ATOM 706 N THR A 45 -8.918 -1.602 -7.959 1.00 0.00 N ATOM 707 CA THR A 45 -7.755 -1.786 -7.113 1.00 0.00 C ATOM 708 C THR A 45 -8.124 -1.516 -5.646 1.00 0.00 C ATOM 709 O THR A 45 -9.098 -0.812 -5.357 1.00 0.00 O ATOM 710 CB THR A 45 -6.598 -0.912 -7.636 1.00 0.00 C ATOM 711 OG1 THR A 45 -6.924 0.444 -7.880 1.00 0.00 O ATOM 712 CG2 THR A 45 -6.085 -1.460 -8.975 1.00 0.00 C ATOM 0 H THR A 45 -9.390 -0.713 -7.795 1.00 0.00 H new ATOM 0 HA THR A 45 -7.409 -2.819 -7.151 1.00 0.00 H new ATOM 0 HB THR A 45 -5.862 -0.950 -6.833 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.867 0.598 -7.663 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.268 -0.835 -9.335 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.728 -2.481 -8.838 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.895 -1.454 -9.705 1.00 0.00 H new ATOM 720 N PRO A 46 -7.374 -2.084 -4.700 1.00 0.00 N ATOM 721 CA PRO A 46 -7.470 -1.762 -3.283 1.00 0.00 C ATOM 722 C PRO A 46 -6.799 -0.412 -2.999 1.00 0.00 C ATOM 723 O PRO A 46 -5.599 -0.224 -3.208 1.00 0.00 O ATOM 724 CB PRO A 46 -6.753 -2.919 -2.589 1.00 0.00 C ATOM 725 CG PRO A 46 -5.735 -3.402 -3.623 1.00 0.00 C ATOM 726 CD PRO A 46 -6.447 -3.180 -4.936 1.00 0.00 C ATOM 0 HA PRO A 46 -8.496 -1.658 -2.931 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.264 -2.592 -1.671 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -7.449 -3.712 -2.314 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.805 -2.836 -3.568 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.478 -4.451 -3.476 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.740 -2.932 -5.728 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.976 -4.079 -5.252 1.00 0.00 H new ATOM 734 N MET A 47 -7.571 0.527 -2.470 1.00 0.00 N ATOM 735 CA MET A 47 -7.077 1.734 -1.826 1.00 0.00 C ATOM 736 C MET A 47 -7.886 1.887 -0.545 1.00 0.00 C ATOM 737 O MET A 47 -8.949 1.272 -0.415 1.00 0.00 O ATOM 738 CB MET A 47 -7.203 2.955 -2.754 1.00 0.00 C ATOM 739 CG MET A 47 -8.595 3.084 -3.387 1.00 0.00 C ATOM 740 SD MET A 47 -9.281 4.763 -3.468 1.00 0.00 S ATOM 741 CE MET A 47 -9.650 5.015 -1.714 1.00 0.00 C ATOM 0 H MET A 47 -8.589 0.467 -2.478 1.00 0.00 H new ATOM 0 HA MET A 47 -6.014 1.662 -1.598 1.00 0.00 H new ATOM 0 HB2 MET A 47 -6.982 3.860 -2.188 1.00 0.00 H new ATOM 0 HB3 MET A 47 -6.456 2.883 -3.544 1.00 0.00 H new ATOM 0 HG2 MET A 47 -8.551 2.682 -4.399 1.00 0.00 H new ATOM 0 HG3 MET A 47 -9.287 2.457 -2.825 1.00 0.00 H new ATOM 0 HE1 MET A 47 -10.459 5.739 -1.613 1.00 0.00 H new ATOM 0 HE2 MET A 47 -9.952 4.068 -1.266 1.00 0.00 H new ATOM 0 HE3 MET A 47 -8.762 5.390 -1.206 1.00 0.00 H new ATOM 751 N PHE A 48 -7.398 2.696 0.389 1.00 0.00 N ATOM 752 CA PHE A 48 -8.086 2.972 1.639 1.00 0.00 C ATOM 753 C PHE A 48 -8.212 4.483 1.764 1.00 0.00 C ATOM 754 O PHE A 48 -7.543 5.233 1.050 1.00 0.00 O ATOM 755 CB PHE A 48 -7.345 2.393 2.858 1.00 0.00 C ATOM 756 CG PHE A 48 -6.587 1.086 2.710 1.00 0.00 C ATOM 757 CD1 PHE A 48 -5.271 1.105 2.232 1.00 0.00 C ATOM 758 CD2 PHE A 48 -7.128 -0.126 3.164 1.00 0.00 C ATOM 759 CE1 PHE A 48 -4.487 -0.054 2.212 1.00 0.00 C ATOM 760 CE2 PHE A 48 -6.358 -1.304 3.130 1.00 0.00 C ATOM 761 CZ PHE A 48 -5.031 -1.260 2.667 1.00 0.00 C ATOM 0 H PHE A 48 -6.506 3.182 0.296 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.065 2.492 1.623 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.636 3.147 3.200 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.077 2.260 3.654 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -4.853 2.033 1.871 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.140 -0.156 3.541 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.471 -0.018 1.848 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -6.786 -2.240 3.459 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.431 -2.158 2.663 1.00 0.00 H new ATOM 771 N SER A 49 -9.014 4.946 2.709 1.00 0.00 N ATOM 772 CA SER A 49 -9.309 6.352 2.877 1.00 0.00 C ATOM 773 C SER A 49 -9.201 6.722 4.345 1.00 0.00 C ATOM 774 O SER A 49 -9.887 6.132 5.170 1.00 0.00 O ATOM 775 CB SER A 49 -10.697 6.638 2.279 1.00 0.00 C ATOM 776 OG SER A 49 -11.619 5.595 2.545 1.00 0.00 O ATOM 0 H SER A 49 -9.482 4.345 3.387 1.00 0.00 H new ATOM 0 HA SER A 49 -8.589 6.975 2.346 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.081 7.573 2.687 1.00 0.00 H new ATOM 0 HB3 SER A 49 -10.606 6.774 1.201 1.00 0.00 H new ATOM 0 HG SER A 49 -12.488 5.817 2.149 1.00 0.00 H new ATOM 782 N ASN A 50 -8.341 7.676 4.716 1.00 0.00 N ATOM 783 CA ASN A 50 -8.367 8.210 6.079 1.00 0.00 C ATOM 784 C ASN A 50 -9.662 8.992 6.226 1.00 0.00 C ATOM 785 O ASN A 50 -9.732 10.161 5.852 1.00 0.00 O ATOM 786 CB ASN A 50 -7.142 9.072 6.426 1.00 0.00 C ATOM 787 CG ASN A 50 -7.329 9.699 7.811 1.00 0.00 C ATOM 788 OD1 ASN A 50 -7.824 9.043 8.720 1.00 0.00 O ATOM 789 ND2 ASN A 50 -6.967 10.952 8.013 1.00 0.00 N ATOM 0 H ASN A 50 -7.634 8.086 4.106 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.323 7.383 6.788 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.239 8.461 6.411 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.011 9.853 5.677 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.099 11.379 8.930 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.555 11.493 7.252 1.00 0.00 H new ATOM 796 N GLN A 51 -10.711 8.334 6.715 1.00 0.00 N ATOM 797 CA GLN A 51 -12.027 8.922 6.929 1.00 0.00 C ATOM 798 C GLN A 51 -12.571 9.599 5.649 1.00 0.00 C ATOM 799 O GLN A 51 -13.318 10.576 5.729 1.00 0.00 O ATOM 800 CB GLN A 51 -11.964 9.848 8.158 1.00 0.00 C ATOM 801 CG GLN A 51 -11.366 9.190 9.417 1.00 0.00 C ATOM 802 CD GLN A 51 -10.948 10.205 10.475 1.00 0.00 C ATOM 803 OE1 GLN A 51 -11.404 10.141 11.610 1.00 0.00 O ATOM 804 NE2 GLN A 51 -10.051 11.124 10.160 1.00 0.00 N ATOM 0 H GLN A 51 -10.665 7.350 6.980 1.00 0.00 H new ATOM 0 HA GLN A 51 -12.755 8.141 7.146 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -11.372 10.728 7.906 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -12.971 10.197 8.388 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.098 8.506 9.846 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -10.500 8.592 9.132 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -9.678 11.168 9.212 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -9.732 11.788 10.865 1.00 0.00 H new ATOM 813 N GLY A 52 -12.174 9.119 4.462 1.00 0.00 N ATOM 814 CA GLY A 52 -12.656 9.572 3.152 1.00 0.00 C ATOM 815 C GLY A 52 -11.571 10.066 2.177 1.00 0.00 C ATOM 816 O GLY A 52 -11.828 10.086 0.971 1.00 0.00 O ATOM 0 H GLY A 52 -11.481 8.375 4.387 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.196 8.751 2.680 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.373 10.378 3.308 1.00 0.00 H new ATOM 820 N THR A 53 -10.364 10.400 2.641 1.00 0.00 N ATOM 821 CA THR A 53 -9.292 11.003 1.845 1.00 0.00 C ATOM 822 C THR A 53 -8.557 9.939 0.998 1.00 0.00 C ATOM 823 O THR A 53 -8.910 8.762 1.013 1.00 0.00 O ATOM 824 CB THR A 53 -8.356 11.758 2.820 1.00 0.00 C ATOM 825 OG1 THR A 53 -9.114 12.337 3.863 1.00 0.00 O ATOM 826 CG2 THR A 53 -7.559 12.882 2.157 1.00 0.00 C ATOM 0 H THR A 53 -10.097 10.253 3.614 1.00 0.00 H new ATOM 0 HA THR A 53 -9.695 11.712 1.121 1.00 0.00 H new ATOM 0 HB THR A 53 -7.652 11.012 3.189 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.224 11.686 4.587 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.926 13.366 2.900 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.936 12.468 1.364 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.246 13.614 1.734 1.00 0.00 H new ATOM 834 N PHE A 54 -7.538 10.321 0.226 1.00 0.00 N ATOM 835 CA PHE A 54 -6.880 9.516 -0.815 1.00 0.00 C ATOM 836 C PHE A 54 -5.439 9.104 -0.456 1.00 0.00 C ATOM 837 O PHE A 54 -4.640 8.752 -1.320 1.00 0.00 O ATOM 838 CB PHE A 54 -6.961 10.316 -2.121 1.00 0.00 C ATOM 839 CG PHE A 54 -6.492 9.581 -3.362 1.00 0.00 C ATOM 840 CD1 PHE A 54 -7.245 8.507 -3.876 1.00 0.00 C ATOM 841 CD2 PHE A 54 -5.280 9.946 -3.981 1.00 0.00 C ATOM 842 CE1 PHE A 54 -6.796 7.809 -5.008 1.00 0.00 C ATOM 843 CE2 PHE A 54 -4.824 9.239 -5.103 1.00 0.00 C ATOM 844 CZ PHE A 54 -5.581 8.171 -5.612 1.00 0.00 C ATOM 0 H PHE A 54 -7.124 11.249 0.312 1.00 0.00 H new ATOM 0 HA PHE A 54 -7.398 8.563 -0.921 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -7.994 10.629 -2.273 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -6.367 11.223 -2.010 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -8.170 8.220 -3.398 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.702 10.771 -3.591 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -7.382 6.997 -5.413 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.893 9.515 -5.575 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.226 7.625 -6.473 1.00 0.00 H new ATOM 854 N ILE A 55 -5.084 9.170 0.825 1.00 0.00 N ATOM 855 CA ILE A 55 -3.712 9.163 1.336 1.00 0.00 C ATOM 856 C ILE A 55 -3.047 7.773 1.225 1.00 0.00 C ATOM 857 O ILE A 55 -2.010 7.552 1.845 1.00 0.00 O ATOM 858 CB ILE A 55 -3.688 9.771 2.773 1.00 0.00 C ATOM 859 CG1 ILE A 55 -4.525 11.075 2.832 1.00 0.00 C ATOM 860 CG2 ILE A 55 -2.267 10.104 3.269 1.00 0.00 C ATOM 861 CD1 ILE A 55 -4.658 11.711 4.216 1.00 0.00 C ATOM 0 H ILE A 55 -5.776 9.233 1.571 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.092 9.800 0.705 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.111 9.002 3.420 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.076 11.805 2.158 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.524 10.862 2.452 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.321 10.523 4.274 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.666 9.195 3.287 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.808 10.830 2.598 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.262 12.616 4.144 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.139 11.007 4.895 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.669 11.964 4.597 1.00 0.00 H new ATOM 873 N ILE A 56 -3.600 6.797 0.493 1.00 0.00 N ATOM 874 CA ILE A 56 -2.979 5.508 0.240 1.00 0.00 C ATOM 875 C ILE A 56 -3.649 4.790 -0.937 1.00 0.00 C ATOM 876 O ILE A 56 -4.869 4.860 -1.093 1.00 0.00 O ATOM 877 CB ILE A 56 -3.046 4.700 1.549 1.00 0.00 C ATOM 878 CG1 ILE A 56 -2.373 3.328 1.405 1.00 0.00 C ATOM 879 CG2 ILE A 56 -4.477 4.616 2.112 1.00 0.00 C ATOM 880 CD1 ILE A 56 -1.795 2.928 2.759 1.00 0.00 C ATOM 0 H ILE A 56 -4.515 6.893 0.053 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.937 5.630 -0.054 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.469 5.246 2.295 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.096 2.585 1.067 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.584 3.370 0.654 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.471 4.036 3.035 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.847 5.621 2.317 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.127 4.132 1.383 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.312 1.954 2.675 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.062 3.670 3.075 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.597 2.873 3.495 1.00 0.00 H new ATOM 892 N GLY A 57 -2.868 4.030 -1.710 1.00 0.00 N ATOM 893 CA GLY A 57 -3.381 3.078 -2.684 1.00 0.00 C ATOM 894 C GLY A 57 -2.266 2.162 -3.173 1.00 0.00 C ATOM 895 O GLY A 57 -1.096 2.569 -3.221 1.00 0.00 O ATOM 0 H GLY A 57 -1.849 4.063 -1.672 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.178 2.484 -2.236 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.818 3.612 -3.528 1.00 0.00 H new ATOM 899 N PHE A 58 -2.609 0.930 -3.564 1.00 0.00 N ATOM 900 CA PHE A 58 -1.666 -0.021 -4.143 1.00 0.00 C ATOM 901 C PHE A 58 -2.382 -1.016 -5.065 1.00 0.00 C ATOM 902 O PHE A 58 -3.595 -0.912 -5.245 1.00 0.00 O ATOM 903 CB PHE A 58 -0.830 -0.689 -3.036 1.00 0.00 C ATOM 904 CG PHE A 58 -1.386 -1.843 -2.232 1.00 0.00 C ATOM 905 CD1 PHE A 58 -2.755 -2.014 -1.951 1.00 0.00 C ATOM 906 CD2 PHE A 58 -0.454 -2.771 -1.748 1.00 0.00 C ATOM 907 CE1 PHE A 58 -3.182 -3.139 -1.221 1.00 0.00 C ATOM 908 CE2 PHE A 58 -0.895 -3.933 -1.093 1.00 0.00 C ATOM 909 CZ PHE A 58 -2.258 -4.113 -0.808 1.00 0.00 C ATOM 0 H PHE A 58 -3.558 0.566 -3.485 1.00 0.00 H new ATOM 0 HA PHE A 58 -0.960 0.512 -4.780 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.093 -1.037 -3.499 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.556 0.092 -2.327 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.474 -1.285 -2.294 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.603 -2.593 -1.879 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.228 -3.254 -0.977 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.182 -4.692 -0.807 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.593 -4.992 -0.277 1.00 0.00 H new ATOM 919 N SER A 59 -1.666 -1.968 -5.684 1.00 0.00 N ATOM 920 CA SER A 59 -2.260 -2.932 -6.621 1.00 0.00 C ATOM 921 C SER A 59 -1.153 -3.834 -7.147 1.00 0.00 C ATOM 922 O SER A 59 -0.013 -3.391 -7.323 1.00 0.00 O ATOM 923 CB SER A 59 -3.022 -2.214 -7.752 1.00 0.00 C ATOM 924 OG SER A 59 -3.075 -2.909 -8.989 1.00 0.00 O ATOM 0 H SER A 59 -0.662 -2.090 -5.549 1.00 0.00 H new ATOM 0 HA SER A 59 -3.000 -3.546 -6.108 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.042 -2.025 -7.417 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.557 -1.243 -7.920 1.00 0.00 H new ATOM 0 HG SER A 59 -3.462 -3.798 -8.848 1.00 0.00 H new ATOM 930 N THR A 60 -1.495 -5.092 -7.420 1.00 0.00 N ATOM 931 CA THR A 60 -0.576 -6.063 -7.987 1.00 0.00 C ATOM 932 C THR A 60 -0.119 -5.620 -9.374 1.00 0.00 C ATOM 933 O THR A 60 -0.880 -4.998 -10.125 1.00 0.00 O ATOM 934 CB THR A 60 -1.237 -7.453 -8.028 1.00 0.00 C ATOM 935 OG1 THR A 60 -2.403 -7.493 -8.827 1.00 0.00 O ATOM 936 CG2 THR A 60 -1.636 -7.928 -6.631 1.00 0.00 C ATOM 0 H THR A 60 -2.429 -5.464 -7.250 1.00 0.00 H new ATOM 0 HA THR A 60 0.309 -6.128 -7.354 1.00 0.00 H new ATOM 0 HB THR A 60 -0.479 -8.104 -8.462 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.776 -8.399 -8.816 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.099 -8.912 -6.700 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.749 -7.988 -6.000 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.344 -7.223 -6.196 1.00 0.00 H new ATOM 944 N SER A 61 1.118 -5.946 -9.730 1.00 0.00 N ATOM 945 CA SER A 61 1.706 -5.673 -11.031 1.00 0.00 C ATOM 946 C SER A 61 2.254 -7.001 -11.576 1.00 0.00 C ATOM 947 O SER A 61 2.441 -7.973 -10.828 1.00 0.00 O ATOM 948 CB SER A 61 2.801 -4.597 -10.890 1.00 0.00 C ATOM 949 OG SER A 61 2.522 -3.621 -9.895 1.00 0.00 O ATOM 0 H SER A 61 1.759 -6.424 -9.097 1.00 0.00 H new ATOM 0 HA SER A 61 0.970 -5.280 -11.733 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.747 -5.084 -10.653 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.931 -4.097 -11.850 1.00 0.00 H new ATOM 0 HG SER A 61 3.256 -2.972 -9.858 1.00 0.00 H new ATOM 955 N LYS A 62 2.563 -7.048 -12.875 1.00 0.00 N ATOM 956 CA LYS A 62 2.841 -8.289 -13.608 1.00 0.00 C ATOM 957 C LYS A 62 4.054 -9.071 -13.097 1.00 0.00 C ATOM 958 O LYS A 62 4.266 -10.201 -13.537 1.00 0.00 O ATOM 959 CB LYS A 62 3.016 -7.996 -15.114 1.00 0.00 C ATOM 960 CG LYS A 62 2.209 -8.943 -16.021 1.00 0.00 C ATOM 961 CD LYS A 62 0.728 -8.546 -16.140 1.00 0.00 C ATOM 962 CE LYS A 62 0.523 -7.280 -16.988 1.00 0.00 C ATOM 963 NZ LYS A 62 0.639 -7.554 -18.434 1.00 0.00 N ATOM 0 H LYS A 62 2.628 -6.213 -13.457 1.00 0.00 H new ATOM 0 HA LYS A 62 1.973 -8.925 -13.436 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.713 -6.968 -15.314 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.073 -8.072 -15.371 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.657 -8.955 -17.015 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.277 -9.958 -15.629 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.169 -9.370 -16.583 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.318 -8.382 -15.143 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.460 -6.859 -16.777 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.260 -6.529 -16.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.494 -6.673 -18.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.586 -7.932 -18.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.081 -8.251 -18.714 1.00 0.00 H new ATOM 977 N HIS A 63 4.897 -8.490 -12.241 1.00 0.00 N ATOM 978 CA HIS A 63 6.045 -9.174 -11.645 1.00 0.00 C ATOM 979 C HIS A 63 6.439 -8.574 -10.291 1.00 0.00 C ATOM 980 O HIS A 63 7.516 -8.866 -9.775 1.00 0.00 O ATOM 981 CB HIS A 63 7.227 -9.161 -12.637 1.00 0.00 C ATOM 982 CG HIS A 63 7.823 -10.531 -12.825 1.00 0.00 C ATOM 983 ND1 HIS A 63 9.090 -10.930 -12.474 1.00 0.00 N ATOM 984 CD2 HIS A 63 7.210 -11.592 -13.431 1.00 0.00 C ATOM 985 CE1 HIS A 63 9.254 -12.195 -12.896 1.00 0.00 C ATOM 986 NE2 HIS A 63 8.142 -12.629 -13.512 1.00 0.00 N ATOM 0 H HIS A 63 4.800 -7.521 -11.939 1.00 0.00 H new ATOM 0 HA HIS A 63 5.761 -10.207 -11.446 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.888 -8.778 -13.600 1.00 0.00 H new ATOM 0 HB3 HIS A 63 7.996 -8.478 -12.276 1.00 0.00 H new ATOM 0 HD2 HIS A 63 6.190 -11.623 -13.783 1.00 0.00 H new ATOM 0 HE1 HIS A 63 10.152 -12.780 -12.759 1.00 0.00 H new ATOM 0 HE2 HIS A 63 8.005 -13.539 -13.953 1.00 0.00 H new ATOM 994 N HIS A 64 5.634 -7.666 -9.753 1.00 0.00 N ATOM 995 CA HIS A 64 5.971 -6.771 -8.663 1.00 0.00 C ATOM 996 C HIS A 64 4.673 -6.214 -8.067 1.00 0.00 C ATOM 997 O HIS A 64 3.589 -6.552 -8.541 1.00 0.00 O ATOM 998 CB HIS A 64 6.918 -5.664 -9.179 1.00 0.00 C ATOM 999 CG HIS A 64 6.568 -4.979 -10.476 1.00 0.00 C ATOM 1000 ND1 HIS A 64 6.848 -5.430 -11.750 1.00 0.00 N ATOM 1001 CD2 HIS A 64 6.066 -3.710 -10.580 1.00 0.00 C ATOM 1002 CE1 HIS A 64 6.480 -4.465 -12.610 1.00 0.00 C ATOM 1003 NE2 HIS A 64 6.014 -3.397 -11.944 1.00 0.00 N ATOM 0 H HIS A 64 4.679 -7.530 -10.086 1.00 0.00 H new ATOM 0 HA HIS A 64 6.502 -7.297 -7.870 1.00 0.00 H new ATOM 0 HB2 HIS A 64 6.989 -4.899 -8.406 1.00 0.00 H new ATOM 0 HB3 HIS A 64 7.911 -6.099 -9.289 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.766 -3.070 -9.763 1.00 0.00 H new ATOM 0 HE1 HIS A 64 6.549 -4.539 -13.685 1.00 0.00 H new ATOM 0 HE2 HIS A 64 5.684 -2.523 -12.354 1.00 0.00 H new ATOM 1011 N LEU A 65 4.773 -5.366 -7.050 1.00 0.00 N ATOM 1012 CA LEU A 65 3.682 -4.628 -6.414 1.00 0.00 C ATOM 1013 C LEU A 65 4.087 -3.158 -6.399 1.00 0.00 C ATOM 1014 O LEU A 65 5.278 -2.839 -6.430 1.00 0.00 O ATOM 1015 CB LEU A 65 3.470 -5.218 -5.009 1.00 0.00 C ATOM 1016 CG LEU A 65 2.440 -4.596 -4.035 1.00 0.00 C ATOM 1017 CD1 LEU A 65 3.006 -3.442 -3.204 1.00 0.00 C ATOM 1018 CD2 LEU A 65 1.058 -4.272 -4.597 1.00 0.00 C ATOM 0 H LEU A 65 5.674 -5.161 -6.618 1.00 0.00 H new ATOM 0 HA LEU A 65 2.733 -4.711 -6.944 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.196 -6.265 -5.139 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.437 -5.202 -4.506 1.00 0.00 H new ATOM 0 HG LEU A 65 2.248 -5.432 -3.362 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.230 -3.054 -2.544 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.844 -3.801 -2.607 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.347 -2.648 -3.869 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.437 -3.843 -3.811 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.156 -3.557 -5.414 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.593 -5.185 -4.969 1.00 0.00 H new ATOM 1030 N SER A 66 3.107 -2.264 -6.371 1.00 0.00 N ATOM 1031 CA SER A 66 3.268 -0.817 -6.488 1.00 0.00 C ATOM 1032 C SER A 66 2.467 -0.140 -5.386 1.00 0.00 C ATOM 1033 O SER A 66 1.263 -0.380 -5.350 1.00 0.00 O ATOM 1034 CB SER A 66 2.703 -0.349 -7.833 1.00 0.00 C ATOM 1035 OG SER A 66 1.490 -0.998 -8.160 1.00 0.00 O ATOM 0 H SER A 66 2.131 -2.539 -6.261 1.00 0.00 H new ATOM 0 HA SER A 66 4.326 -0.564 -6.411 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.539 0.728 -7.801 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.436 -0.537 -8.618 1.00 0.00 H new ATOM 0 HG SER A 66 0.925 -1.057 -7.361 1.00 0.00 H new ATOM 1041 N VAL A 67 3.077 0.677 -4.528 1.00 0.00 N ATOM 1042 CA VAL A 67 2.448 1.233 -3.324 1.00 0.00 C ATOM 1043 C VAL A 67 2.935 2.662 -3.038 1.00 0.00 C ATOM 1044 O VAL A 67 4.098 2.958 -3.295 1.00 0.00 O ATOM 1045 CB VAL A 67 2.686 0.226 -2.178 1.00 0.00 C ATOM 1046 CG1 VAL A 67 4.085 -0.380 -2.054 1.00 0.00 C ATOM 1047 CG2 VAL A 67 2.279 0.784 -0.804 1.00 0.00 C ATOM 0 H VAL A 67 4.043 0.979 -4.651 1.00 0.00 H new ATOM 0 HA VAL A 67 1.372 1.354 -3.453 1.00 0.00 H new ATOM 0 HB VAL A 67 2.032 -0.590 -2.484 1.00 0.00 H new ATOM 0 HG11 VAL A 67 4.110 -1.068 -1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.330 -0.920 -2.969 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.813 0.415 -1.896 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.468 0.034 -0.036 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.862 1.679 -0.588 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.218 1.035 -0.813 1.00 0.00 H new ATOM 1057 N SER A 68 2.076 3.544 -2.507 1.00 0.00 N ATOM 1058 CA SER A 68 2.428 4.869 -1.980 1.00 0.00 C ATOM 1059 C SER A 68 1.320 5.358 -1.034 1.00 0.00 C ATOM 1060 O SER A 68 0.243 4.749 -1.014 1.00 0.00 O ATOM 1061 CB SER A 68 2.605 5.843 -3.154 1.00 0.00 C ATOM 1062 OG SER A 68 2.669 7.205 -2.776 1.00 0.00 O ATOM 0 H SER A 68 1.078 3.346 -2.430 1.00 0.00 H new ATOM 0 HA SER A 68 3.361 4.813 -1.420 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.517 5.584 -3.691 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.776 5.710 -3.850 1.00 0.00 H new ATOM 0 HG SER A 68 2.420 7.768 -3.538 1.00 0.00 H new ATOM 1068 N PRO A 69 1.569 6.397 -0.210 1.00 0.00 N ATOM 1069 CA PRO A 69 0.513 7.229 0.334 1.00 0.00 C ATOM 1070 C PRO A 69 0.034 8.315 -0.653 1.00 0.00 C ATOM 1071 O PRO A 69 -1.125 8.298 -1.059 1.00 0.00 O ATOM 1072 CB PRO A 69 1.111 7.852 1.602 1.00 0.00 C ATOM 1073 CG PRO A 69 2.611 7.900 1.312 1.00 0.00 C ATOM 1074 CD PRO A 69 2.832 6.651 0.459 1.00 0.00 C ATOM 0 HA PRO A 69 -0.379 6.637 0.541 1.00 0.00 H new ATOM 0 HB2 PRO A 69 0.707 8.847 1.787 1.00 0.00 H new ATOM 0 HB3 PRO A 69 0.893 7.250 2.484 1.00 0.00 H new ATOM 0 HG2 PRO A 69 2.891 8.809 0.779 1.00 0.00 H new ATOM 0 HG3 PRO A 69 3.201 7.874 2.228 1.00 0.00 H new ATOM 0 HD2 PRO A 69 3.632 6.809 -0.264 1.00 0.00 H new ATOM 0 HD3 PRO A 69 3.124 5.802 1.078 1.00 0.00 H new ATOM 1082 N GLU A 70 0.926 9.185 -1.140 1.00 0.00 N ATOM 1083 CA GLU A 70 0.661 10.228 -2.129 1.00 0.00 C ATOM 1084 C GLU A 70 1.954 10.424 -2.930 1.00 0.00 C ATOM 1085 O GLU A 70 2.193 9.744 -3.929 1.00 0.00 O ATOM 1086 CB GLU A 70 0.242 11.567 -1.460 1.00 0.00 C ATOM 1087 CG GLU A 70 -1.099 11.570 -0.721 1.00 0.00 C ATOM 1088 CD GLU A 70 -1.460 12.981 -0.230 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -0.770 13.520 0.665 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -2.475 13.562 -0.688 1.00 0.00 O ATOM 0 H GLU A 70 1.900 9.178 -0.838 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.167 9.926 -2.770 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.021 11.855 -0.754 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.209 12.338 -2.230 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.883 11.201 -1.383 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.051 10.888 0.128 1.00 0.00 H new ATOM 1097 N GLU A 71 2.852 11.275 -2.420 1.00 0.00 N ATOM 1098 CA GLU A 71 4.068 11.705 -3.102 1.00 0.00 C ATOM 1099 C GLU A 71 5.185 12.091 -2.125 1.00 0.00 C ATOM 1100 O GLU A 71 6.350 11.902 -2.468 1.00 0.00 O ATOM 1101 CB GLU A 71 3.780 12.846 -4.089 1.00 0.00 C ATOM 1102 CG GLU A 71 2.929 13.978 -3.495 1.00 0.00 C ATOM 1103 CD GLU A 71 2.959 15.220 -4.389 1.00 0.00 C ATOM 1104 OE1 GLU A 71 2.704 15.100 -5.610 1.00 0.00 O ATOM 1105 OE2 GLU A 71 3.392 16.295 -3.906 1.00 0.00 O ATOM 0 H GLU A 71 2.745 11.692 -1.495 1.00 0.00 H new ATOM 0 HA GLU A 71 4.427 10.846 -3.669 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.726 13.260 -4.438 1.00 0.00 H new ATOM 0 HB3 GLU A 71 3.269 12.439 -4.962 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.900 13.638 -3.374 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.299 14.232 -2.502 1.00 0.00 H new ATOM 1112 N ILE A 72 4.891 12.543 -0.896 1.00 0.00 N ATOM 1113 CA ILE A 72 5.953 12.824 0.077 1.00 0.00 C ATOM 1114 C ILE A 72 6.709 11.542 0.404 1.00 0.00 C ATOM 1115 O ILE A 72 7.938 11.536 0.444 1.00 0.00 O ATOM 1116 CB ILE A 72 5.407 13.512 1.342 1.00 0.00 C ATOM 1117 CG1 ILE A 72 6.577 14.135 2.132 1.00 0.00 C ATOM 1118 CG2 ILE A 72 4.543 12.603 2.244 1.00 0.00 C ATOM 1119 CD1 ILE A 72 6.100 15.219 3.097 1.00 0.00 C ATOM 0 H ILE A 72 3.945 12.719 -0.558 1.00 0.00 H new ATOM 0 HA ILE A 72 6.653 13.529 -0.372 1.00 0.00 H new ATOM 0 HB ILE A 72 4.724 14.291 1.003 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.095 13.355 2.690 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.299 14.561 1.436 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.201 13.169 3.110 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.681 12.246 1.681 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.136 11.752 2.578 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.955 15.631 3.633 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.606 16.013 2.537 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.398 14.788 3.811 1.00 0.00 H new ATOM 1131 N GLY A 73 5.981 10.431 0.537 1.00 0.00 N ATOM 1132 CA GLY A 73 6.524 9.095 0.714 1.00 0.00 C ATOM 1133 C GLY A 73 7.414 8.652 -0.444 1.00 0.00 C ATOM 1134 O GLY A 73 8.088 7.638 -0.330 1.00 0.00 O ATOM 0 H GLY A 73 4.961 10.444 0.523 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.099 9.063 1.639 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.703 8.387 0.824 1.00 0.00 H new ATOM 1138 N ILE A 74 7.420 9.396 -1.550 1.00 0.00 N ATOM 1139 CA ILE A 74 8.152 9.125 -2.776 1.00 0.00 C ATOM 1140 C ILE A 74 9.179 10.241 -3.034 1.00 0.00 C ATOM 1141 O ILE A 74 9.924 10.165 -4.015 1.00 0.00 O ATOM 1142 CB ILE A 74 7.149 8.956 -3.951 1.00 0.00 C ATOM 1143 CG1 ILE A 74 5.820 8.250 -3.589 1.00 0.00 C ATOM 1144 CG2 ILE A 74 7.818 8.184 -5.098 1.00 0.00 C ATOM 1145 CD1 ILE A 74 6.021 6.822 -3.079 1.00 0.00 C ATOM 0 H ILE A 74 6.878 10.258 -1.612 1.00 0.00 H new ATOM 0 HA ILE A 74 8.710 8.194 -2.683 1.00 0.00 H new ATOM 0 HB ILE A 74 6.883 9.972 -4.242 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.302 8.832 -2.827 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.175 8.229 -4.468 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.111 8.068 -5.919 1.00 0.00 H new ATOM 0 HG22 ILE A 74 8.692 8.735 -5.446 1.00 0.00 H new ATOM 0 HG23 ILE A 74 8.127 7.201 -4.743 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.053 6.381 -2.842 1.00 0.00 H new ATOM 0 HD12 ILE A 74 6.513 6.227 -3.848 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.641 6.840 -2.183 1.00 0.00 H new ATOM 1157 N SER A 75 9.253 11.258 -2.160 1.00 0.00 N ATOM 1158 CA SER A 75 10.142 12.396 -2.353 1.00 0.00 C ATOM 1159 C SER A 75 11.060 12.618 -1.138 1.00 0.00 C ATOM 1160 O SER A 75 12.279 12.678 -1.285 1.00 0.00 O ATOM 1161 CB SER A 75 9.318 13.649 -2.682 1.00 0.00 C ATOM 1162 OG SER A 75 8.358 13.384 -3.695 1.00 0.00 O ATOM 0 H SER A 75 8.697 11.307 -1.306 1.00 0.00 H new ATOM 0 HA SER A 75 10.798 12.182 -3.197 1.00 0.00 H new ATOM 0 HB2 SER A 75 8.813 14.001 -1.783 1.00 0.00 H new ATOM 0 HB3 SER A 75 9.983 14.449 -3.008 1.00 0.00 H new ATOM 0 HG SER A 75 7.621 12.859 -3.318 1.00 0.00 H new ATOM 1168 N GLN A 76 10.502 12.672 0.075 1.00 0.00 N ATOM 1169 CA GLN A 76 11.211 12.841 1.337 1.00 0.00 C ATOM 1170 C GLN A 76 11.782 11.488 1.723 1.00 0.00 C ATOM 1171 O GLN A 76 12.995 11.329 1.843 1.00 0.00 O ATOM 1172 CB GLN A 76 10.224 13.424 2.371 1.00 0.00 C ATOM 1173 CG GLN A 76 10.513 13.164 3.859 1.00 0.00 C ATOM 1174 CD GLN A 76 11.904 13.615 4.310 1.00 0.00 C ATOM 1175 OE1 GLN A 76 12.753 12.820 4.700 1.00 0.00 O ATOM 1176 NE2 GLN A 76 12.173 14.906 4.238 1.00 0.00 N ATOM 0 H GLN A 76 9.493 12.595 0.205 1.00 0.00 H new ATOM 0 HA GLN A 76 12.044 13.541 1.272 1.00 0.00 H new ATOM 0 HB2 GLN A 76 10.179 14.503 2.221 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.233 13.030 2.148 1.00 0.00 H new ATOM 0 HG2 GLN A 76 9.763 13.678 4.460 1.00 0.00 H new ATOM 0 HG3 GLN A 76 10.405 12.098 4.059 1.00 0.00 H new ATOM 0 HE21 GLN A 76 11.460 15.558 3.912 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.094 15.251 4.508 1.00 0.00 H new ATOM 1185 N PHE A 77 10.910 10.488 1.845 1.00 0.00 N ATOM 1186 CA PHE A 77 11.266 9.133 2.251 1.00 0.00 C ATOM 1187 C PHE A 77 12.002 8.360 1.142 1.00 0.00 C ATOM 1188 O PHE A 77 12.378 7.201 1.318 1.00 0.00 O ATOM 1189 CB PHE A 77 10.013 8.399 2.721 1.00 0.00 C ATOM 1190 CG PHE A 77 9.238 9.074 3.843 1.00 0.00 C ATOM 1191 CD1 PHE A 77 8.399 10.166 3.557 1.00 0.00 C ATOM 1192 CD2 PHE A 77 9.311 8.597 5.167 1.00 0.00 C ATOM 1193 CE1 PHE A 77 7.627 10.767 4.555 1.00 0.00 C ATOM 1194 CE2 PHE A 77 8.530 9.191 6.177 1.00 0.00 C ATOM 1195 CZ PHE A 77 7.682 10.272 5.862 1.00 0.00 C ATOM 0 H PHE A 77 9.914 10.602 1.659 1.00 0.00 H new ATOM 0 HA PHE A 77 11.970 9.198 3.080 1.00 0.00 H new ATOM 0 HB2 PHE A 77 9.346 8.272 1.868 1.00 0.00 H new ATOM 0 HB3 PHE A 77 10.301 7.401 3.052 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.350 10.547 2.548 1.00 0.00 H new ATOM 0 HD2 PHE A 77 9.968 7.774 5.408 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.992 11.608 4.319 1.00 0.00 H new ATOM 0 HE2 PHE A 77 8.581 8.819 7.190 1.00 0.00 H new ATOM 0 HZ PHE A 77 7.072 10.720 6.633 1.00 0.00 H new ATOM 1205 N ALA A 78 12.194 9.008 -0.009 1.00 0.00 N ATOM 1206 CA ALA A 78 12.757 8.457 -1.223 1.00 0.00 C ATOM 1207 C ALA A 78 14.198 7.985 -1.043 1.00 0.00 C ATOM 1208 O ALA A 78 14.640 7.110 -1.790 1.00 0.00 O ATOM 1209 CB ALA A 78 12.701 9.556 -2.279 1.00 0.00 C ATOM 0 H ALA A 78 11.942 9.991 -0.115 1.00 0.00 H new ATOM 0 HA ALA A 78 12.183 7.578 -1.516 1.00 0.00 H new ATOM 0 HB1 ALA A 78 13.117 9.183 -3.215 1.00 0.00 H new ATOM 0 HB2 ALA A 78 11.665 9.857 -2.437 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.281 10.415 -1.941 1.00 0.00 H new ATOM 1215 N ASP A 79 14.927 8.552 -0.082 1.00 0.00 N ATOM 1216 CA ASP A 79 16.323 8.219 0.173 1.00 0.00 C ATOM 1217 C ASP A 79 16.387 6.918 0.957 1.00 0.00 C ATOM 1218 O ASP A 79 17.103 5.990 0.596 1.00 0.00 O ATOM 1219 CB ASP A 79 16.997 9.338 0.975 1.00 0.00 C ATOM 1220 CG ASP A 79 18.514 9.361 0.778 1.00 0.00 C ATOM 1221 OD1 ASP A 79 19.108 8.345 0.352 1.00 0.00 O ATOM 1222 OD2 ASP A 79 19.133 10.418 1.036 1.00 0.00 O ATOM 0 H ASP A 79 14.557 9.264 0.548 1.00 0.00 H new ATOM 0 HA ASP A 79 16.846 8.106 -0.777 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.579 10.299 0.675 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.772 9.209 2.034 1.00 0.00 H new ATOM 1227 N ALA A 80 15.585 6.823 2.018 1.00 0.00 N ATOM 1228 CA ALA A 80 15.491 5.639 2.847 1.00 0.00 C ATOM 1229 C ALA A 80 14.991 4.437 2.029 1.00 0.00 C ATOM 1230 O ALA A 80 15.483 3.321 2.211 1.00 0.00 O ATOM 1231 CB ALA A 80 14.591 5.962 4.039 1.00 0.00 C ATOM 0 H ALA A 80 14.977 7.583 2.323 1.00 0.00 H new ATOM 0 HA ALA A 80 16.474 5.353 3.222 1.00 0.00 H new ATOM 0 HB1 ALA A 80 14.505 5.084 4.679 1.00 0.00 H new ATOM 0 HB2 ALA A 80 15.023 6.785 4.609 1.00 0.00 H new ATOM 0 HB3 ALA A 80 13.602 6.248 3.681 1.00 0.00 H new ATOM 1237 N ILE A 81 14.045 4.661 1.109 1.00 0.00 N ATOM 1238 CA ILE A 81 13.602 3.667 0.130 1.00 0.00 C ATOM 1239 C ILE A 81 14.782 3.251 -0.761 1.00 0.00 C ATOM 1240 O ILE A 81 15.016 2.057 -0.970 1.00 0.00 O ATOM 1241 CB ILE A 81 12.431 4.249 -0.703 1.00 0.00 C ATOM 1242 CG1 ILE A 81 11.163 4.385 0.157 1.00 0.00 C ATOM 1243 CG2 ILE A 81 12.076 3.380 -1.925 1.00 0.00 C ATOM 1244 CD1 ILE A 81 10.148 5.341 -0.477 1.00 0.00 C ATOM 0 H ILE A 81 13.559 5.554 1.024 1.00 0.00 H new ATOM 0 HA ILE A 81 13.242 2.774 0.641 1.00 0.00 H new ATOM 0 HB ILE A 81 12.774 5.224 -1.050 1.00 0.00 H new ATOM 0 HG12 ILE A 81 10.706 3.404 0.289 1.00 0.00 H new ATOM 0 HG13 ILE A 81 11.433 4.747 1.149 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.250 3.838 -2.469 1.00 0.00 H new ATOM 0 HG22 ILE A 81 12.943 3.302 -2.580 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.783 2.385 -1.591 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.266 5.410 0.160 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.596 6.329 -0.585 1.00 0.00 H new ATOM 0 HD13 ILE A 81 9.858 4.965 -1.458 1.00 0.00 H new ATOM 1256 N ALA A 82 15.495 4.234 -1.319 1.00 0.00 N ATOM 1257 CA ALA A 82 16.573 4.017 -2.265 1.00 0.00 C ATOM 1258 C ALA A 82 17.694 3.188 -1.649 1.00 0.00 C ATOM 1259 O ALA A 82 18.097 2.192 -2.246 1.00 0.00 O ATOM 1260 CB ALA A 82 17.109 5.364 -2.741 1.00 0.00 C ATOM 0 H ALA A 82 15.329 5.220 -1.116 1.00 0.00 H new ATOM 0 HA ALA A 82 16.181 3.459 -3.115 1.00 0.00 H new ATOM 0 HB1 ALA A 82 17.919 5.202 -3.452 1.00 0.00 H new ATOM 0 HB2 ALA A 82 16.308 5.924 -3.224 1.00 0.00 H new ATOM 0 HB3 ALA A 82 17.483 5.929 -1.887 1.00 0.00 H new ATOM 1266 N GLN A 83 18.171 3.578 -0.468 1.00 0.00 N ATOM 1267 CA GLN A 83 19.238 2.918 0.279 1.00 0.00 C ATOM 1268 C GLN A 83 18.894 1.469 0.634 1.00 0.00 C ATOM 1269 O GLN A 83 19.800 0.654 0.832 1.00 0.00 O ATOM 1270 CB GLN A 83 19.478 3.703 1.566 1.00 0.00 C ATOM 1271 CG GLN A 83 20.225 5.025 1.355 1.00 0.00 C ATOM 1272 CD GLN A 83 20.276 5.802 2.665 1.00 0.00 C ATOM 1273 OE1 GLN A 83 20.882 5.357 3.639 1.00 0.00 O ATOM 1274 NE2 GLN A 83 19.651 6.957 2.736 1.00 0.00 N ATOM 0 H GLN A 83 17.807 4.400 0.015 1.00 0.00 H new ATOM 0 HA GLN A 83 20.128 2.896 -0.349 1.00 0.00 H new ATOM 0 HB2 GLN A 83 18.518 3.911 2.038 1.00 0.00 H new ATOM 0 HB3 GLN A 83 20.046 3.082 2.259 1.00 0.00 H new ATOM 0 HG2 GLN A 83 21.236 4.829 0.998 1.00 0.00 H new ATOM 0 HG3 GLN A 83 19.725 5.618 0.589 1.00 0.00 H new ATOM 0 HE21 GLN A 83 19.151 7.317 1.923 1.00 0.00 H new ATOM 0 HE22 GLN A 83 19.666 7.492 3.604 1.00 0.00 H new ATOM 1283 N ALA A 84 17.601 1.132 0.734 1.00 0.00 N ATOM 1284 CA ALA A 84 17.179 -0.249 0.929 1.00 0.00 C ATOM 1285 C ALA A 84 17.399 -1.074 -0.349 1.00 0.00 C ATOM 1286 O ALA A 84 17.603 -2.283 -0.271 1.00 0.00 O ATOM 1287 CB ALA A 84 15.705 -0.296 1.332 1.00 0.00 C ATOM 0 H ALA A 84 16.834 1.802 0.682 1.00 0.00 H new ATOM 0 HA ALA A 84 17.783 -0.681 1.727 1.00 0.00 H new ATOM 0 HB1 ALA A 84 15.400 -1.333 1.475 1.00 0.00 H new ATOM 0 HB2 ALA A 84 15.564 0.255 2.262 1.00 0.00 H new ATOM 0 HB3 ALA A 84 15.099 0.156 0.547 1.00 0.00 H new ATOM 1293 N GLY A 85 17.376 -0.432 -1.521 1.00 0.00 N ATOM 1294 CA GLY A 85 17.654 -1.033 -2.821 1.00 0.00 C ATOM 1295 C GLY A 85 16.503 -0.880 -3.822 1.00 0.00 C ATOM 1296 O GLY A 85 16.566 -1.485 -4.897 1.00 0.00 O ATOM 0 H GLY A 85 17.154 0.561 -1.588 1.00 0.00 H new ATOM 0 HA2 GLY A 85 18.552 -0.578 -3.239 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.868 -2.093 -2.684 1.00 0.00 H new ATOM 1300 N TYR A 86 15.439 -0.134 -3.494 1.00 0.00 N ATOM 1301 CA TYR A 86 14.230 -0.020 -4.312 1.00 0.00 C ATOM 1302 C TYR A 86 14.227 1.324 -5.063 1.00 0.00 C ATOM 1303 O TYR A 86 14.246 2.369 -4.419 1.00 0.00 O ATOM 1304 CB TYR A 86 12.993 -0.110 -3.402 1.00 0.00 C ATOM 1305 CG TYR A 86 12.883 -1.314 -2.490 1.00 0.00 C ATOM 1306 CD1 TYR A 86 12.655 -2.592 -3.033 1.00 0.00 C ATOM 1307 CD2 TYR A 86 12.952 -1.146 -1.093 1.00 0.00 C ATOM 1308 CE1 TYR A 86 12.508 -3.704 -2.182 1.00 0.00 C ATOM 1309 CE2 TYR A 86 12.851 -2.260 -0.247 1.00 0.00 C ATOM 1310 CZ TYR A 86 12.603 -3.538 -0.782 1.00 0.00 C ATOM 1311 OH TYR A 86 12.463 -4.581 0.077 1.00 0.00 O ATOM 0 H TYR A 86 15.397 0.416 -2.636 1.00 0.00 H new ATOM 0 HA TYR A 86 14.208 -0.830 -5.041 1.00 0.00 H new ATOM 0 HB2 TYR A 86 12.966 0.786 -2.782 1.00 0.00 H new ATOM 0 HB3 TYR A 86 12.107 -0.086 -4.036 1.00 0.00 H new ATOM 0 HD1 TYR A 86 12.593 -2.720 -4.104 1.00 0.00 H new ATOM 0 HD2 TYR A 86 13.083 -0.159 -0.674 1.00 0.00 H new ATOM 0 HE1 TYR A 86 12.323 -4.683 -2.599 1.00 0.00 H new ATOM 0 HE2 TYR A 86 12.964 -2.137 0.820 1.00 0.00 H new ATOM 0 HH TYR A 86 11.629 -5.057 -0.119 1.00 0.00 H new ATOM 1321 N SER A 87 14.152 1.342 -6.401 1.00 0.00 N ATOM 1322 CA SER A 87 14.357 2.587 -7.159 1.00 0.00 C ATOM 1323 C SER A 87 13.215 3.611 -7.210 1.00 0.00 C ATOM 1324 O SER A 87 13.378 4.658 -7.848 1.00 0.00 O ATOM 1325 CB SER A 87 14.811 2.270 -8.592 1.00 0.00 C ATOM 1326 OG SER A 87 16.206 2.409 -8.713 1.00 0.00 O ATOM 0 H SER A 87 13.954 0.522 -6.975 1.00 0.00 H new ATOM 0 HA SER A 87 15.124 3.090 -6.570 1.00 0.00 H new ATOM 0 HB2 SER A 87 14.517 1.254 -8.856 1.00 0.00 H new ATOM 0 HB3 SER A 87 14.312 2.938 -9.293 1.00 0.00 H new ATOM 0 HG SER A 87 16.477 2.202 -9.632 1.00 0.00 H new ATOM 1332 N ALA A 88 12.118 3.367 -6.505 1.00 0.00 N ATOM 1333 CA ALA A 88 10.863 4.123 -6.538 1.00 0.00 C ATOM 1334 C ALA A 88 10.374 4.431 -7.969 1.00 0.00 C ATOM 1335 O ALA A 88 10.836 3.839 -8.955 1.00 0.00 O ATOM 1336 CB ALA A 88 10.989 5.370 -5.648 1.00 0.00 C ATOM 0 H ALA A 88 12.074 2.586 -5.851 1.00 0.00 H new ATOM 0 HA ALA A 88 10.074 3.495 -6.124 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.055 5.931 -5.674 1.00 0.00 H new ATOM 0 HB2 ALA A 88 11.201 5.066 -4.623 1.00 0.00 H new ATOM 0 HB3 ALA A 88 11.800 5.999 -6.015 1.00 0.00 H new ATOM 1342 N THR A 89 9.382 5.313 -8.074 1.00 0.00 N ATOM 1343 CA THR A 89 8.888 5.949 -9.291 1.00 0.00 C ATOM 1344 C THR A 89 8.539 7.408 -8.959 1.00 0.00 C ATOM 1345 O THR A 89 8.928 7.927 -7.916 1.00 0.00 O ATOM 1346 CB THR A 89 7.697 5.185 -9.920 1.00 0.00 C ATOM 1347 OG1 THR A 89 6.497 5.426 -9.220 1.00 0.00 O ATOM 1348 CG2 THR A 89 7.903 3.675 -10.061 1.00 0.00 C ATOM 0 H THR A 89 8.866 5.623 -7.251 1.00 0.00 H new ATOM 0 HA THR A 89 9.667 5.925 -10.053 1.00 0.00 H new ATOM 0 HB THR A 89 7.631 5.587 -10.931 1.00 0.00 H new ATOM 0 HG1 THR A 89 5.794 5.682 -9.854 1.00 0.00 H new ATOM 0 HG21 THR A 89 7.017 3.227 -10.511 1.00 0.00 H new ATOM 0 HG22 THR A 89 8.768 3.484 -10.696 1.00 0.00 H new ATOM 0 HG23 THR A 89 8.071 3.237 -9.077 1.00 0.00 H new ATOM 1356 N LYS A 90 7.787 8.075 -9.834 1.00 0.00 N ATOM 1357 CA LYS A 90 7.221 9.407 -9.672 1.00 0.00 C ATOM 1358 C LYS A 90 5.948 9.392 -8.812 1.00 0.00 C ATOM 1359 O LYS A 90 5.257 10.410 -8.739 1.00 0.00 O ATOM 1360 CB LYS A 90 6.945 9.953 -11.092 1.00 0.00 C ATOM 1361 CG LYS A 90 7.577 11.327 -11.339 1.00 0.00 C ATOM 1362 CD LYS A 90 6.878 12.510 -10.664 1.00 0.00 C ATOM 1363 CE LYS A 90 5.413 12.599 -11.109 1.00 0.00 C ATOM 1364 NZ LYS A 90 4.865 13.963 -10.999 1.00 0.00 N ATOM 0 H LYS A 90 7.542 7.667 -10.736 1.00 0.00 H new ATOM 0 HA LYS A 90 7.920 10.053 -9.141 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.328 9.246 -11.828 1.00 0.00 H new ATOM 0 HB3 LYS A 90 5.868 10.022 -11.246 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.612 11.297 -10.998 1.00 0.00 H new ATOM 0 HG3 LYS A 90 7.601 11.508 -12.414 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.928 12.399 -9.581 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.396 13.436 -10.914 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.331 12.261 -12.142 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.812 11.921 -10.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.873 13.965 -11.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.916 14.279 -10.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.418 14.609 -11.598 1.00 0.00 H new ATOM 1378 N GLY A 91 5.553 8.254 -8.229 1.00 0.00 N ATOM 1379 CA GLY A 91 4.264 8.175 -7.552 1.00 0.00 C ATOM 1380 C GLY A 91 3.989 6.909 -6.751 1.00 0.00 C ATOM 1381 O GLY A 91 2.973 6.856 -6.061 1.00 0.00 O ATOM 0 H GLY A 91 6.099 7.393 -8.214 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.180 9.028 -6.879 1.00 0.00 H new ATOM 0 HA3 GLY A 91 3.479 8.281 -8.301 1.00 0.00 H new ATOM 1385 N LEU A 92 4.843 5.891 -6.835 1.00 0.00 N ATOM 1386 CA LEU A 92 4.740 4.646 -6.088 1.00 0.00 C ATOM 1387 C LEU A 92 6.143 4.111 -5.840 1.00 0.00 C ATOM 1388 O LEU A 92 7.111 4.620 -6.407 1.00 0.00 O ATOM 1389 CB LEU A 92 3.781 3.639 -6.767 1.00 0.00 C ATOM 1390 CG LEU A 92 3.977 3.396 -8.276 1.00 0.00 C ATOM 1391 CD1 LEU A 92 5.016 2.293 -8.507 1.00 0.00 C ATOM 1392 CD2 LEU A 92 2.629 3.110 -8.953 1.00 0.00 C ATOM 0 H LEU A 92 5.656 5.915 -7.450 1.00 0.00 H new ATOM 0 HA LEU A 92 4.281 4.827 -5.116 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.876 2.682 -6.254 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.759 3.985 -6.609 1.00 0.00 H new ATOM 0 HG LEU A 92 4.372 4.298 -8.743 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.144 2.132 -9.577 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.968 2.592 -8.069 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.676 1.369 -8.039 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.786 2.941 -10.018 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.179 2.223 -8.507 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.964 3.963 -8.815 1.00 0.00 H new ATOM 1404 N PHE A 93 6.274 3.079 -5.010 1.00 0.00 N ATOM 1405 CA PHE A 93 7.505 2.301 -4.968 1.00 0.00 C ATOM 1406 C PHE A 93 7.176 0.890 -5.412 1.00 0.00 C ATOM 1407 O PHE A 93 6.258 0.250 -4.897 1.00 0.00 O ATOM 1408 CB PHE A 93 8.291 2.400 -3.646 1.00 0.00 C ATOM 1409 CG PHE A 93 7.499 2.675 -2.388 1.00 0.00 C ATOM 1410 CD1 PHE A 93 6.984 1.619 -1.624 1.00 0.00 C ATOM 1411 CD2 PHE A 93 7.296 3.998 -1.970 1.00 0.00 C ATOM 1412 CE1 PHE A 93 6.218 1.893 -0.479 1.00 0.00 C ATOM 1413 CE2 PHE A 93 6.486 4.275 -0.859 1.00 0.00 C ATOM 1414 CZ PHE A 93 5.912 3.222 -0.133 1.00 0.00 C ATOM 0 H PHE A 93 5.549 2.766 -4.364 1.00 0.00 H new ATOM 0 HA PHE A 93 8.223 2.734 -5.665 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.834 1.465 -3.505 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.036 3.188 -3.755 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.176 0.597 -1.915 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.766 4.809 -2.507 1.00 0.00 H new ATOM 0 HE1 PHE A 93 5.863 1.081 0.138 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.305 5.298 -0.563 1.00 0.00 H new ATOM 0 HZ PHE A 93 5.240 3.430 0.686 1.00 0.00 H new ATOM 1424 N ARG A 94 7.923 0.437 -6.417 1.00 0.00 N ATOM 1425 CA ARG A 94 7.927 -0.935 -6.877 1.00 0.00 C ATOM 1426 C ARG A 94 8.643 -1.788 -5.843 1.00 0.00 C ATOM 1427 O ARG A 94 9.758 -1.430 -5.451 1.00 0.00 O ATOM 1428 CB ARG A 94 8.632 -1.016 -8.240 1.00 0.00 C ATOM 1429 CG ARG A 94 8.740 -2.466 -8.731 1.00 0.00 C ATOM 1430 CD ARG A 94 10.097 -3.131 -8.468 1.00 0.00 C ATOM 1431 NE ARG A 94 11.069 -2.753 -9.508 1.00 0.00 N ATOM 1432 CZ ARG A 94 12.331 -2.326 -9.374 1.00 0.00 C ATOM 1433 NH1 ARG A 94 12.952 -2.330 -8.196 1.00 0.00 N ATOM 1434 NH2 ARG A 94 12.961 -1.878 -10.453 1.00 0.00 N ATOM 0 H ARG A 94 8.557 1.038 -6.943 1.00 0.00 H new ATOM 0 HA ARG A 94 6.908 -1.302 -6.999 1.00 0.00 H new ATOM 0 HB2 ARG A 94 8.082 -0.423 -8.971 1.00 0.00 H new ATOM 0 HB3 ARG A 94 9.629 -0.582 -8.162 1.00 0.00 H new ATOM 0 HG2 ARG A 94 7.961 -3.057 -8.250 1.00 0.00 H new ATOM 0 HG3 ARG A 94 8.541 -2.489 -9.802 1.00 0.00 H new ATOM 0 HD2 ARG A 94 10.470 -2.833 -7.488 1.00 0.00 H new ATOM 0 HD3 ARG A 94 9.980 -4.214 -8.449 1.00 0.00 H new ATOM 0 HE ARG A 94 10.733 -2.827 -10.468 1.00 0.00 H new ATOM 0 HH11 ARG A 94 12.466 -2.665 -7.364 1.00 0.00 H new ATOM 0 HH12 ARG A 94 13.914 -1.998 -8.125 1.00 0.00 H new ATOM 0 HH21 ARG A 94 12.483 -1.865 -11.354 1.00 0.00 H new ATOM 0 HH22 ARG A 94 13.923 -1.546 -10.381 1.00 0.00 H new ATOM 1448 N ILE A 95 8.078 -2.938 -5.500 1.00 0.00 N ATOM 1449 CA ILE A 95 8.754 -4.008 -4.777 1.00 0.00 C ATOM 1450 C ILE A 95 8.573 -5.269 -5.640 1.00 0.00 C ATOM 1451 O ILE A 95 7.500 -5.425 -6.218 1.00 0.00 O ATOM 1452 CB ILE A 95 8.082 -4.188 -3.393 1.00 0.00 C ATOM 1453 CG1 ILE A 95 7.805 -2.891 -2.592 1.00 0.00 C ATOM 1454 CG2 ILE A 95 8.896 -5.175 -2.552 1.00 0.00 C ATOM 1455 CD1 ILE A 95 9.035 -2.111 -2.116 1.00 0.00 C ATOM 0 H ILE A 95 7.108 -3.159 -5.724 1.00 0.00 H new ATOM 0 HA ILE A 95 9.810 -3.798 -4.607 1.00 0.00 H new ATOM 0 HB ILE A 95 7.088 -4.578 -3.611 1.00 0.00 H new ATOM 0 HG12 ILE A 95 7.199 -2.229 -3.211 1.00 0.00 H new ATOM 0 HG13 ILE A 95 7.205 -3.149 -1.719 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.422 -5.301 -1.578 1.00 0.00 H new ATOM 0 HG22 ILE A 95 8.939 -6.138 -3.061 1.00 0.00 H new ATOM 0 HG23 ILE A 95 9.907 -4.790 -2.416 1.00 0.00 H new ATOM 0 HD11 ILE A 95 8.714 -1.225 -1.568 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.637 -2.743 -1.463 1.00 0.00 H new ATOM 0 HD13 ILE A 95 9.630 -1.809 -2.978 1.00 0.00 H new ATOM 1467 N PRO A 96 9.537 -6.198 -5.746 1.00 0.00 N ATOM 1468 CA PRO A 96 9.327 -7.461 -6.455 1.00 0.00 C ATOM 1469 C PRO A 96 8.395 -8.373 -5.646 1.00 0.00 C ATOM 1470 O PRO A 96 8.211 -8.172 -4.445 1.00 0.00 O ATOM 1471 CB PRO A 96 10.726 -8.069 -6.609 1.00 0.00 C ATOM 1472 CG PRO A 96 11.458 -7.527 -5.386 1.00 0.00 C ATOM 1473 CD PRO A 96 10.891 -6.121 -5.232 1.00 0.00 C ATOM 0 HA PRO A 96 8.849 -7.325 -7.425 1.00 0.00 H new ATOM 0 HB2 PRO A 96 10.697 -9.159 -6.614 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.203 -7.758 -7.538 1.00 0.00 H new ATOM 0 HG2 PRO A 96 11.269 -8.136 -4.502 1.00 0.00 H new ATOM 0 HG3 PRO A 96 12.537 -7.511 -5.538 1.00 0.00 H new ATOM 0 HD2 PRO A 96 10.899 -5.806 -4.189 1.00 0.00 H new ATOM 0 HD3 PRO A 96 11.483 -5.395 -5.789 1.00 0.00 H new ATOM 1481 N TRP A 97 7.834 -9.407 -6.278 1.00 0.00 N ATOM 1482 CA TRP A 97 7.077 -10.418 -5.544 1.00 0.00 C ATOM 1483 C TRP A 97 7.960 -11.309 -4.671 1.00 0.00 C ATOM 1484 O TRP A 97 7.511 -11.748 -3.615 1.00 0.00 O ATOM 1485 CB TRP A 97 6.239 -11.273 -6.505 1.00 0.00 C ATOM 1486 CG TRP A 97 5.031 -10.561 -7.025 1.00 0.00 C ATOM 1487 CD1 TRP A 97 4.673 -10.412 -8.319 1.00 0.00 C ATOM 1488 CD2 TRP A 97 3.998 -9.894 -6.241 1.00 0.00 C ATOM 1489 NE1 TRP A 97 3.547 -9.610 -8.397 1.00 0.00 N ATOM 1490 CE2 TRP A 97 3.079 -9.289 -7.140 1.00 0.00 C ATOM 1491 CE3 TRP A 97 3.737 -9.749 -4.860 1.00 0.00 C ATOM 1492 CZ2 TRP A 97 1.981 -8.548 -6.694 1.00 0.00 C ATOM 1493 CZ3 TRP A 97 2.630 -9.012 -4.403 1.00 0.00 C ATOM 1494 CH2 TRP A 97 1.752 -8.410 -5.315 1.00 0.00 C ATOM 0 H TRP A 97 7.890 -9.564 -7.284 1.00 0.00 H new ATOM 0 HA TRP A 97 6.412 -9.877 -4.871 1.00 0.00 H new ATOM 0 HB2 TRP A 97 6.862 -11.580 -7.345 1.00 0.00 H new ATOM 0 HB3 TRP A 97 5.925 -12.182 -5.992 1.00 0.00 H new ATOM 0 HD1 TRP A 97 5.186 -10.851 -9.162 1.00 0.00 H new ATOM 0 HE1 TRP A 97 3.120 -9.298 -9.269 1.00 0.00 H new ATOM 0 HE3 TRP A 97 4.399 -10.212 -4.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 1.313 -8.085 -7.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 2.455 -8.909 -3.342 1.00 0.00 H new ATOM 0 HH2 TRP A 97 0.904 -7.843 -4.959 1.00 0.00 H new ATOM 1505 N ASN A 98 9.180 -11.624 -5.118 1.00 0.00 N ATOM 1506 CA ASN A 98 10.044 -12.562 -4.398 1.00 0.00 C ATOM 1507 C ASN A 98 10.489 -11.963 -3.065 1.00 0.00 C ATOM 1508 O ASN A 98 10.293 -12.553 -2.004 1.00 0.00 O ATOM 1509 CB ASN A 98 11.275 -12.932 -5.244 1.00 0.00 C ATOM 1510 CG ASN A 98 12.086 -14.042 -4.584 1.00 0.00 C ATOM 1511 OD1 ASN A 98 12.003 -15.198 -4.989 1.00 0.00 O ATOM 1512 ND2 ASN A 98 12.872 -13.749 -3.565 1.00 0.00 N ATOM 0 H ASN A 98 9.589 -11.244 -5.972 1.00 0.00 H new ATOM 0 HA ASN A 98 9.470 -13.468 -4.205 1.00 0.00 H new ATOM 0 HB2 ASN A 98 10.955 -13.253 -6.235 1.00 0.00 H new ATOM 0 HB3 ASN A 98 11.903 -12.052 -5.381 1.00 0.00 H new ATOM 0 HD21 ASN A 98 13.414 -14.484 -3.111 1.00 0.00 H new ATOM 0 HD22 ASN A 98 12.938 -12.787 -3.232 1.00 0.00 H new ATOM 1519 N ASP A 99 11.175 -10.828 -3.162 1.00 0.00 N ATOM 1520 CA ASP A 99 11.853 -10.128 -2.075 1.00 0.00 C ATOM 1521 C ASP A 99 10.818 -9.353 -1.240 1.00 0.00 C ATOM 1522 O ASP A 99 9.693 -9.156 -1.707 1.00 0.00 O ATOM 1523 CB ASP A 99 12.900 -9.191 -2.709 1.00 0.00 C ATOM 1524 CG ASP A 99 14.260 -9.218 -2.020 1.00 0.00 C ATOM 1525 OD1 ASP A 99 14.756 -10.327 -1.717 1.00 0.00 O ATOM 1526 OD2 ASP A 99 14.826 -8.110 -1.865 1.00 0.00 O ATOM 0 H ASP A 99 11.279 -10.344 -4.054 1.00 0.00 H new ATOM 0 HA ASP A 99 12.356 -10.822 -1.401 1.00 0.00 H new ATOM 0 HB2 ASP A 99 13.030 -9.465 -3.756 1.00 0.00 H new ATOM 0 HB3 ASP A 99 12.516 -8.171 -2.692 1.00 0.00 H new ATOM 1531 N PRO A 100 11.137 -8.923 -0.011 1.00 0.00 N ATOM 1532 CA PRO A 100 10.131 -8.386 0.894 1.00 0.00 C ATOM 1533 C PRO A 100 9.733 -6.948 0.573 1.00 0.00 C ATOM 1534 O PRO A 100 10.437 -6.226 -0.134 1.00 0.00 O ATOM 1535 CB PRO A 100 10.760 -8.489 2.278 1.00 0.00 C ATOM 1536 CG PRO A 100 12.239 -8.344 2.001 1.00 0.00 C ATOM 1537 CD PRO A 100 12.413 -9.066 0.675 1.00 0.00 C ATOM 0 HA PRO A 100 9.199 -8.945 0.810 1.00 0.00 H new ATOM 0 HB2 PRO A 100 10.397 -7.706 2.944 1.00 0.00 H new ATOM 0 HB3 PRO A 100 10.532 -9.443 2.753 1.00 0.00 H new ATOM 0 HG2 PRO A 100 12.536 -7.297 1.932 1.00 0.00 H new ATOM 0 HG3 PRO A 100 12.843 -8.795 2.788 1.00 0.00 H new ATOM 0 HD2 PRO A 100 13.224 -8.629 0.092 1.00 0.00 H new ATOM 0 HD3 PRO A 100 12.661 -10.116 0.829 1.00 0.00 H new ATOM 1545 N VAL A 101 8.620 -6.524 1.172 1.00 0.00 N ATOM 1546 CA VAL A 101 8.124 -5.156 1.205 1.00 0.00 C ATOM 1547 C VAL A 101 8.659 -4.525 2.491 1.00 0.00 C ATOM 1548 O VAL A 101 8.600 -5.150 3.556 1.00 0.00 O ATOM 1549 CB VAL A 101 6.576 -5.196 1.173 1.00 0.00 C ATOM 1550 CG1 VAL A 101 5.923 -3.817 1.334 1.00 0.00 C ATOM 1551 CG2 VAL A 101 6.034 -5.832 -0.119 1.00 0.00 C ATOM 0 H VAL A 101 8.008 -7.167 1.675 1.00 0.00 H new ATOM 0 HA VAL A 101 8.454 -4.564 0.351 1.00 0.00 H new ATOM 0 HB VAL A 101 6.309 -5.811 2.032 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.839 -3.922 1.302 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.218 -3.384 2.290 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.248 -3.164 0.524 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.944 -5.837 -0.093 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.374 -5.255 -0.979 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.399 -6.856 -0.202 1.00 0.00 H new ATOM 1561 N HIS A 102 9.173 -3.296 2.406 1.00 0.00 N ATOM 1562 CA HIS A 102 9.562 -2.474 3.528 1.00 0.00 C ATOM 1563 C HIS A 102 8.325 -1.867 4.213 1.00 0.00 C ATOM 1564 O HIS A 102 7.987 -0.698 3.990 1.00 0.00 O ATOM 1565 CB HIS A 102 10.525 -1.436 2.940 1.00 0.00 C ATOM 1566 CG HIS A 102 11.673 -1.073 3.818 1.00 0.00 C ATOM 1567 ND1 HIS A 102 11.872 -1.302 5.162 1.00 0.00 N ATOM 1568 CD2 HIS A 102 12.818 -0.581 3.294 1.00 0.00 C ATOM 1569 CE1 HIS A 102 13.134 -0.922 5.437 1.00 0.00 C ATOM 1570 NE2 HIS A 102 13.747 -0.468 4.329 1.00 0.00 N ATOM 0 H HIS A 102 9.332 -2.837 1.509 1.00 0.00 H new ATOM 0 HA HIS A 102 10.057 -3.032 4.323 1.00 0.00 H new ATOM 0 HB2 HIS A 102 10.915 -1.818 1.997 1.00 0.00 H new ATOM 0 HB3 HIS A 102 9.963 -0.531 2.709 1.00 0.00 H new ATOM 0 HD2 HIS A 102 12.984 -0.322 2.259 1.00 0.00 H new ATOM 0 HE1 HIS A 102 13.592 -0.975 6.414 1.00 0.00 H new ATOM 0 HE2 HIS A 102 14.700 -0.112 4.259 1.00 0.00 H new ATOM 1578 N TYR A 103 7.604 -2.677 4.995 1.00 0.00 N ATOM 1579 CA TYR A 103 6.404 -2.264 5.710 1.00 0.00 C ATOM 1580 C TYR A 103 6.705 -1.073 6.613 1.00 0.00 C ATOM 1581 O TYR A 103 5.937 -0.116 6.644 1.00 0.00 O ATOM 1582 CB TYR A 103 5.874 -3.426 6.560 1.00 0.00 C ATOM 1583 CG TYR A 103 5.216 -4.542 5.774 1.00 0.00 C ATOM 1584 CD1 TYR A 103 5.991 -5.558 5.189 1.00 0.00 C ATOM 1585 CD2 TYR A 103 3.818 -4.577 5.628 1.00 0.00 C ATOM 1586 CE1 TYR A 103 5.380 -6.573 4.431 1.00 0.00 C ATOM 1587 CE2 TYR A 103 3.199 -5.596 4.891 1.00 0.00 C ATOM 1588 CZ TYR A 103 3.976 -6.609 4.284 1.00 0.00 C ATOM 1589 OH TYR A 103 3.387 -7.632 3.611 1.00 0.00 O ATOM 0 H TYR A 103 7.847 -3.656 5.148 1.00 0.00 H new ATOM 0 HA TYR A 103 5.650 -1.974 4.978 1.00 0.00 H new ATOM 0 HB2 TYR A 103 6.701 -3.844 7.134 1.00 0.00 H new ATOM 0 HB3 TYR A 103 5.154 -3.033 7.278 1.00 0.00 H new ATOM 0 HD1 TYR A 103 7.063 -5.559 5.322 1.00 0.00 H new ATOM 0 HD2 TYR A 103 3.214 -3.810 6.089 1.00 0.00 H new ATOM 0 HE1 TYR A 103 5.989 -7.330 3.958 1.00 0.00 H new ATOM 0 HE2 TYR A 103 2.124 -5.607 4.786 1.00 0.00 H new ATOM 0 HH TYR A 103 2.492 -7.792 3.977 1.00 0.00 H new ATOM 1599 N GLU A 104 7.825 -1.120 7.336 1.00 0.00 N ATOM 1600 CA GLU A 104 8.186 -0.125 8.333 1.00 0.00 C ATOM 1601 C GLU A 104 8.436 1.244 7.702 1.00 0.00 C ATOM 1602 O GLU A 104 8.226 2.256 8.361 1.00 0.00 O ATOM 1603 CB GLU A 104 9.413 -0.656 9.076 1.00 0.00 C ATOM 1604 CG GLU A 104 9.845 0.171 10.292 1.00 0.00 C ATOM 1605 CD GLU A 104 10.804 -0.667 11.139 1.00 0.00 C ATOM 1606 OE1 GLU A 104 11.902 -1.021 10.649 1.00 0.00 O ATOM 1607 OE2 GLU A 104 10.407 -1.113 12.237 1.00 0.00 O ATOM 0 H GLU A 104 8.515 -1.865 7.240 1.00 0.00 H new ATOM 0 HA GLU A 104 7.366 0.030 9.034 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.207 -1.675 9.404 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.247 -0.708 8.377 1.00 0.00 H new ATOM 0 HG2 GLU A 104 10.332 1.092 9.969 1.00 0.00 H new ATOM 0 HG3 GLU A 104 8.975 0.460 10.881 1.00 0.00 H new ATOM 1614 N LEU A 105 8.828 1.297 6.426 1.00 0.00 N ATOM 1615 CA LEU A 105 9.039 2.556 5.720 1.00 0.00 C ATOM 1616 C LEU A 105 7.679 3.112 5.294 1.00 0.00 C ATOM 1617 O LEU A 105 7.325 4.244 5.624 1.00 0.00 O ATOM 1618 CB LEU A 105 9.946 2.304 4.491 1.00 0.00 C ATOM 1619 CG LEU A 105 11.048 3.342 4.217 1.00 0.00 C ATOM 1620 CD1 LEU A 105 10.565 4.796 4.210 1.00 0.00 C ATOM 1621 CD2 LEU A 105 12.207 3.176 5.198 1.00 0.00 C ATOM 0 H LEU A 105 9.007 0.469 5.858 1.00 0.00 H new ATOM 0 HA LEU A 105 9.531 3.283 6.366 1.00 0.00 H new ATOM 0 HB2 LEU A 105 10.420 1.330 4.613 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.311 2.242 3.607 1.00 0.00 H new ATOM 0 HG LEU A 105 11.387 3.136 3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 105 11.407 5.458 4.009 1.00 0.00 H new ATOM 0 HD12 LEU A 105 9.810 4.925 3.435 1.00 0.00 H new ATOM 0 HD13 LEU A 105 10.134 5.041 5.181 1.00 0.00 H new ATOM 0 HD21 LEU A 105 12.974 3.921 4.985 1.00 0.00 H new ATOM 0 HD22 LEU A 105 11.844 3.311 6.217 1.00 0.00 H new ATOM 0 HD23 LEU A 105 12.632 2.178 5.094 1.00 0.00 H new ATOM 1633 N LEU A 106 6.896 2.288 4.583 1.00 0.00 N ATOM 1634 CA LEU A 106 5.562 2.628 4.083 1.00 0.00 C ATOM 1635 C LEU A 106 4.602 3.014 5.219 1.00 0.00 C ATOM 1636 O LEU A 106 3.707 3.827 5.008 1.00 0.00 O ATOM 1637 CB LEU A 106 5.102 1.570 3.062 1.00 0.00 C ATOM 1638 CG LEU A 106 4.128 0.481 3.520 1.00 0.00 C ATOM 1639 CD1 LEU A 106 2.692 0.961 3.357 1.00 0.00 C ATOM 1640 CD2 LEU A 106 4.312 -0.795 2.698 1.00 0.00 C ATOM 0 H LEU A 106 7.184 1.341 4.335 1.00 0.00 H new ATOM 0 HA LEU A 106 5.579 3.552 3.505 1.00 0.00 H new ATOM 0 HB2 LEU A 106 4.641 2.096 2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.993 1.075 2.675 1.00 0.00 H new ATOM 0 HG LEU A 106 4.335 0.268 4.569 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.007 0.179 3.686 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.537 1.856 3.960 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.502 1.192 2.309 1.00 0.00 H new ATOM 0 HD21 LEU A 106 3.609 -1.554 3.042 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.127 -0.580 1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.331 -1.162 2.820 1.00 0.00 H new ATOM 1652 N LYS A 107 4.860 2.534 6.439 1.00 0.00 N ATOM 1653 CA LYS A 107 4.221 2.935 7.690 1.00 0.00 C ATOM 1654 C LYS A 107 4.518 4.386 8.083 1.00 0.00 C ATOM 1655 O LYS A 107 3.571 5.132 8.319 1.00 0.00 O ATOM 1656 CB LYS A 107 4.703 1.913 8.749 1.00 0.00 C ATOM 1657 CG LYS A 107 4.427 2.146 10.235 1.00 0.00 C ATOM 1658 CD LYS A 107 5.169 1.051 11.043 1.00 0.00 C ATOM 1659 CE LYS A 107 4.199 0.517 12.095 1.00 0.00 C ATOM 1660 NZ LYS A 107 4.800 -0.449 13.040 1.00 0.00 N ATOM 0 H LYS A 107 5.564 1.811 6.585 1.00 0.00 H new ATOM 0 HA LYS A 107 3.135 2.921 7.593 1.00 0.00 H new ATOM 0 HB2 LYS A 107 4.266 0.949 8.488 1.00 0.00 H new ATOM 0 HB3 LYS A 107 5.782 1.815 8.634 1.00 0.00 H new ATOM 0 HG2 LYS A 107 4.769 3.137 10.534 1.00 0.00 H new ATOM 0 HG3 LYS A 107 3.356 2.105 10.434 1.00 0.00 H new ATOM 0 HD2 LYS A 107 5.500 0.248 10.385 1.00 0.00 H new ATOM 0 HD3 LYS A 107 6.060 1.463 11.517 1.00 0.00 H new ATOM 0 HE2 LYS A 107 3.795 1.357 12.660 1.00 0.00 H new ATOM 0 HE3 LYS A 107 3.360 0.039 11.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 4.079 -0.763 13.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 5.161 -1.270 12.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 5.583 0.007 13.551 1.00 0.00 H new ATOM 1674 N GLN A 108 5.786 4.807 8.171 1.00 0.00 N ATOM 1675 CA GLN A 108 6.098 6.149 8.687 1.00 0.00 C ATOM 1676 C GLN A 108 5.406 7.230 7.865 1.00 0.00 C ATOM 1677 O GLN A 108 4.818 8.150 8.421 1.00 0.00 O ATOM 1678 CB GLN A 108 7.605 6.439 8.670 1.00 0.00 C ATOM 1679 CG GLN A 108 8.413 5.451 9.501 1.00 0.00 C ATOM 1680 CD GLN A 108 9.875 5.856 9.624 1.00 0.00 C ATOM 1681 OE1 GLN A 108 10.214 7.008 9.865 1.00 0.00 O ATOM 1682 NE2 GLN A 108 10.770 4.910 9.409 1.00 0.00 N ATOM 0 H GLN A 108 6.598 4.253 7.899 1.00 0.00 H new ATOM 0 HA GLN A 108 5.737 6.165 9.716 1.00 0.00 H new ATOM 0 HB2 GLN A 108 7.962 6.416 7.640 1.00 0.00 H new ATOM 0 HB3 GLN A 108 7.779 7.448 9.045 1.00 0.00 H new ATOM 0 HG2 GLN A 108 7.975 5.374 10.496 1.00 0.00 H new ATOM 0 HG3 GLN A 108 8.350 4.462 9.048 1.00 0.00 H new ATOM 0 HE21 GLN A 108 10.467 3.957 9.210 1.00 0.00 H new ATOM 0 HE22 GLN A 108 11.765 5.132 9.442 1.00 0.00 H new ATOM 1691 N MET A 109 5.488 7.119 6.541 1.00 0.00 N ATOM 1692 CA MET A 109 4.968 8.131 5.637 1.00 0.00 C ATOM 1693 C MET A 109 3.449 8.255 5.683 1.00 0.00 C ATOM 1694 O MET A 109 2.948 9.358 5.478 1.00 0.00 O ATOM 1695 CB MET A 109 5.469 7.855 4.218 1.00 0.00 C ATOM 1696 CG MET A 109 5.120 6.443 3.728 1.00 0.00 C ATOM 1697 SD MET A 109 5.790 6.036 2.107 1.00 0.00 S ATOM 1698 CE MET A 109 7.547 5.993 2.533 1.00 0.00 C ATOM 0 H MET A 109 5.918 6.323 6.069 1.00 0.00 H new ATOM 0 HA MET A 109 5.346 9.097 5.971 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.038 8.588 3.536 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.550 7.988 4.187 1.00 0.00 H new ATOM 0 HG2 MET A 109 5.489 5.718 4.453 1.00 0.00 H new ATOM 0 HG3 MET A 109 4.035 6.339 3.697 1.00 0.00 H new ATOM 0 HE1 MET A 109 8.086 6.723 1.929 1.00 0.00 H new ATOM 0 HE2 MET A 109 7.671 6.233 3.589 1.00 0.00 H new ATOM 0 HE3 MET A 109 7.944 4.997 2.338 1.00 0.00 H new ATOM 1708 N ILE A 110 2.713 7.167 5.934 1.00 0.00 N ATOM 1709 CA ILE A 110 1.261 7.251 6.016 1.00 0.00 C ATOM 1710 C ILE A 110 0.872 7.869 7.366 1.00 0.00 C ATOM 1711 O ILE A 110 0.057 8.787 7.396 1.00 0.00 O ATOM 1712 CB ILE A 110 0.620 5.889 5.648 1.00 0.00 C ATOM 1713 CG1 ILE A 110 -0.874 6.031 5.284 1.00 0.00 C ATOM 1714 CG2 ILE A 110 0.842 4.739 6.635 1.00 0.00 C ATOM 1715 CD1 ILE A 110 -1.820 6.005 6.485 1.00 0.00 C ATOM 0 H ILE A 110 3.097 6.233 6.081 1.00 0.00 H new ATOM 0 HA ILE A 110 0.842 7.929 5.272 1.00 0.00 H new ATOM 0 HB ILE A 110 1.180 5.588 4.763 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -1.017 6.967 4.744 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.148 5.225 4.603 1.00 0.00 H new ATOM 0 HG21 ILE A 110 0.345 3.842 6.266 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.910 4.547 6.736 1.00 0.00 H new ATOM 0 HG23 ILE A 110 0.429 5.009 7.607 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -2.849 6.110 6.140 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -1.710 5.059 7.014 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.577 6.827 7.158 1.00 0.00 H new ATOM 1727 N GLU A 111 1.497 7.430 8.464 1.00 0.00 N ATOM 1728 CA GLU A 111 1.224 7.937 9.810 1.00 0.00 C ATOM 1729 C GLU A 111 1.554 9.428 9.904 1.00 0.00 C ATOM 1730 O GLU A 111 0.758 10.200 10.435 1.00 0.00 O ATOM 1731 CB GLU A 111 2.037 7.134 10.837 1.00 0.00 C ATOM 1732 CG GLU A 111 1.598 5.669 10.946 1.00 0.00 C ATOM 1733 CD GLU A 111 0.879 5.370 12.263 1.00 0.00 C ATOM 1734 OE1 GLU A 111 1.558 4.978 13.244 1.00 0.00 O ATOM 1735 OE2 GLU A 111 -0.365 5.456 12.338 1.00 0.00 O ATOM 0 H GLU A 111 2.214 6.705 8.441 1.00 0.00 H new ATOM 0 HA GLU A 111 0.162 7.817 10.026 1.00 0.00 H new ATOM 0 HB2 GLU A 111 3.092 7.171 10.564 1.00 0.00 H new ATOM 0 HB3 GLU A 111 1.944 7.608 11.814 1.00 0.00 H new ATOM 0 HG2 GLU A 111 0.938 5.428 10.113 1.00 0.00 H new ATOM 0 HG3 GLU A 111 2.472 5.024 10.858 1.00 0.00 H new ATOM 1742 N PHE A 112 2.694 9.849 9.346 1.00 0.00 N ATOM 1743 CA PHE A 112 3.056 11.257 9.298 1.00 0.00 C ATOM 1744 C PHE A 112 1.988 12.056 8.566 1.00 0.00 C ATOM 1745 O PHE A 112 1.562 13.087 9.074 1.00 0.00 O ATOM 1746 CB PHE A 112 4.433 11.460 8.661 1.00 0.00 C ATOM 1747 CG PHE A 112 4.785 12.897 8.285 1.00 0.00 C ATOM 1748 CD1 PHE A 112 4.447 13.986 9.118 1.00 0.00 C ATOM 1749 CD2 PHE A 112 5.432 13.154 7.062 1.00 0.00 C ATOM 1750 CE1 PHE A 112 4.737 15.302 8.721 1.00 0.00 C ATOM 1751 CE2 PHE A 112 5.772 14.468 6.697 1.00 0.00 C ATOM 1752 CZ PHE A 112 5.411 15.545 7.516 1.00 0.00 C ATOM 0 H PHE A 112 3.381 9.226 8.921 1.00 0.00 H new ATOM 0 HA PHE A 112 3.117 11.625 10.322 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.190 11.089 9.352 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.492 10.845 7.763 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.962 13.806 10.066 1.00 0.00 H new ATOM 0 HD2 PHE A 112 5.669 12.335 6.399 1.00 0.00 H new ATOM 0 HE1 PHE A 112 4.439 16.130 9.347 1.00 0.00 H new ATOM 0 HE2 PHE A 112 6.314 14.648 5.781 1.00 0.00 H new ATOM 0 HZ PHE A 112 5.650 16.556 7.221 1.00 0.00 H new ATOM 1762 N ASN A 113 1.550 11.595 7.393 1.00 0.00 N ATOM 1763 CA ASN A 113 0.566 12.327 6.606 1.00 0.00 C ATOM 1764 C ASN A 113 -0.721 12.519 7.408 1.00 0.00 C ATOM 1765 O ASN A 113 -1.255 13.616 7.436 1.00 0.00 O ATOM 1766 CB ASN A 113 0.326 11.610 5.275 1.00 0.00 C ATOM 1767 CG ASN A 113 -0.278 12.527 4.213 1.00 0.00 C ATOM 1768 OD1 ASN A 113 -1.310 13.160 4.393 1.00 0.00 O ATOM 1769 ND2 ASN A 113 0.348 12.563 3.049 1.00 0.00 N ATOM 0 H ASN A 113 1.862 10.720 6.971 1.00 0.00 H new ATOM 0 HA ASN A 113 0.947 13.322 6.376 1.00 0.00 H new ATOM 0 HB2 ASN A 113 1.270 11.208 4.908 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -0.339 10.762 5.438 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -0.028 13.124 2.285 1.00 0.00 H new ATOM 0 HD22 ASN A 113 1.207 12.030 2.915 1.00 0.00 H new ATOM 1776 N ILE A 114 -1.169 11.510 8.158 1.00 0.00 N ATOM 1777 CA ILE A 114 -2.318 11.652 9.053 1.00 0.00 C ATOM 1778 C ILE A 114 -2.030 12.731 10.118 1.00 0.00 C ATOM 1779 O ILE A 114 -2.844 13.644 10.260 1.00 0.00 O ATOM 1780 CB ILE A 114 -2.668 10.280 9.665 1.00 0.00 C ATOM 1781 CG1 ILE A 114 -3.184 9.315 8.558 1.00 0.00 C ATOM 1782 CG2 ILE A 114 -3.727 10.385 10.780 1.00 0.00 C ATOM 1783 CD1 ILE A 114 -3.408 7.851 8.982 1.00 0.00 C ATOM 0 H ILE A 114 -0.750 10.580 8.162 1.00 0.00 H new ATOM 0 HA ILE A 114 -3.192 11.989 8.495 1.00 0.00 H new ATOM 0 HB ILE A 114 -1.753 9.890 10.110 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -4.125 9.708 8.172 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -2.472 9.328 7.733 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -3.937 9.392 11.177 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -3.351 11.023 11.580 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -4.643 10.814 10.373 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -3.767 7.276 8.129 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -2.468 7.427 9.336 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -4.147 7.813 9.782 1.00 0.00 H new ATOM 1795 N GLN A 115 -0.906 12.674 10.854 1.00 0.00 N ATOM 1796 CA GLN A 115 -0.642 13.666 11.910 1.00 0.00 C ATOM 1797 C GLN A 115 -0.299 15.054 11.339 1.00 0.00 C ATOM 1798 O GLN A 115 -0.115 16.007 12.098 1.00 0.00 O ATOM 1799 CB GLN A 115 0.410 13.169 12.922 1.00 0.00 C ATOM 1800 CG GLN A 115 1.829 13.100 12.373 1.00 0.00 C ATOM 1801 CD GLN A 115 2.846 12.669 13.426 1.00 0.00 C ATOM 1802 OE1 GLN A 115 3.233 11.510 13.490 1.00 0.00 O ATOM 1803 NE2 GLN A 115 3.310 13.576 14.269 1.00 0.00 N ATOM 0 H GLN A 115 -0.180 11.967 10.741 1.00 0.00 H new ATOM 0 HA GLN A 115 -1.573 13.787 12.464 1.00 0.00 H new ATOM 0 HB2 GLN A 115 0.401 13.828 13.790 1.00 0.00 H new ATOM 0 HB3 GLN A 115 0.120 12.178 13.271 1.00 0.00 H new ATOM 0 HG2 GLN A 115 1.858 12.400 11.538 1.00 0.00 H new ATOM 0 HG3 GLN A 115 2.110 14.077 11.980 1.00 0.00 H new ATOM 0 HE21 GLN A 115 2.984 14.541 14.211 1.00 0.00 H new ATOM 0 HE22 GLN A 115 3.994 13.311 14.977 1.00 0.00 H new ATOM 1812 N ASP A 116 -0.179 15.187 10.019 1.00 0.00 N ATOM 1813 CA ASP A 116 0.064 16.442 9.277 1.00 0.00 C ATOM 1814 C ASP A 116 -1.234 17.094 8.800 1.00 0.00 C ATOM 1815 O ASP A 116 -1.239 18.107 8.097 1.00 0.00 O ATOM 1816 CB ASP A 116 0.985 16.128 8.096 1.00 0.00 C ATOM 1817 CG ASP A 116 1.433 17.322 7.241 1.00 0.00 C ATOM 1818 OD1 ASP A 116 1.727 18.422 7.758 1.00 0.00 O ATOM 1819 OD2 ASP A 116 1.464 17.166 5.994 1.00 0.00 O ATOM 0 H ASP A 116 -0.251 14.383 9.396 1.00 0.00 H new ATOM 0 HA ASP A 116 0.536 17.163 9.945 1.00 0.00 H new ATOM 0 HB2 ASP A 116 1.875 15.630 8.480 1.00 0.00 H new ATOM 0 HB3 ASP A 116 0.477 15.415 7.447 1.00 0.00 H new ATOM 1824 N LYS A 117 -2.359 16.488 9.156 1.00 0.00 N ATOM 1825 CA LYS A 117 -3.695 16.865 8.714 1.00 0.00 C ATOM 1826 C LYS A 117 -4.649 17.016 9.901 1.00 0.00 C ATOM 1827 O LYS A 117 -5.869 16.993 9.714 1.00 0.00 O ATOM 1828 CB LYS A 117 -4.183 15.817 7.708 1.00 0.00 C ATOM 1829 CG LYS A 117 -3.277 15.670 6.473 1.00 0.00 C ATOM 1830 CD LYS A 117 -3.362 16.786 5.431 1.00 0.00 C ATOM 1831 CE LYS A 117 -2.022 16.842 4.680 1.00 0.00 C ATOM 1832 NZ LYS A 117 -1.084 17.777 5.337 1.00 0.00 N ATOM 0 H LYS A 117 -2.366 15.687 9.787 1.00 0.00 H new ATOM 0 HA LYS A 117 -3.666 17.839 8.226 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -4.256 14.852 8.210 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -5.188 16.083 7.380 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -2.244 15.598 6.814 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -3.517 14.726 5.983 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -4.180 16.596 4.736 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -3.568 17.742 5.913 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -1.581 15.846 4.642 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -2.191 17.155 3.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -0.109 17.439 5.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -1.182 18.722 4.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -1.301 17.829 6.353 1.00 0.00 H new ATOM 1846 N GLU A 118 -4.134 17.189 11.116 1.00 0.00 N ATOM 1847 CA GLU A 118 -4.929 17.436 12.322 1.00 0.00 C ATOM 1848 C GLU A 118 -5.692 18.751 12.172 1.00 0.00 C ATOM 1849 O GLU A 118 -6.933 18.721 12.016 1.00 0.00 O ATOM 1850 CB GLU A 118 -4.031 17.375 13.581 1.00 0.00 C ATOM 1851 CG GLU A 118 -4.476 16.237 14.515 1.00 0.00 C ATOM 1852 CD GLU A 118 -3.525 16.032 15.706 1.00 0.00 C ATOM 1853 OE1 GLU A 118 -3.656 16.757 16.721 1.00 0.00 O ATOM 1854 OE2 GLU A 118 -2.669 15.117 15.662 1.00 0.00 O ATOM 0 H GLU A 118 -3.130 17.161 11.296 1.00 0.00 H new ATOM 0 HA GLU A 118 -5.676 16.653 12.451 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -2.993 17.224 13.286 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -4.076 18.326 14.112 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -5.477 16.452 14.889 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -4.541 15.310 13.945 1.00 0.00 H new TER 1861 GLU A 118