USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1005 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 47 TYR OH : rot 180:sc= -0.0273 USER MOD Set 1.2: A 64 HIS :FLIP no HE2:sc= -8.48! C(o=-11!,f=-8.5!) USER MOD Single : A 1 GLY N :NH3+ -107:sc= 0.105 (180deg=0) USER MOD Single : A 2 SER OG : rot 50:sc= 0.24 USER MOD Single : A 3 SER OG : rot 41:sc= 1.24 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 133:sc= -1.45 (180deg=-4.05!) USER MOD Single : A 21 GLN : amide:sc= -4.17! C(o=-4.2!,f=-12!) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0.509 K(o=0.51,f=-2.4!) USER MOD Single : A 29 HIS :FLIP no HD1:sc= -0.208 F(o=-1.7,f=-0.21) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.118 K(o=-0.12,f=-2) USER MOD Single : A 35 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.246) USER MOD Single : A 38 LYS NZ :NH3+ 178:sc= -1 (180deg=-1.02) USER MOD Single : A 49 HIS : no HD1:sc= -3.21! C(o=-3.2!,f=-3.5!) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.66 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot -67:sc= -3! USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -140:sc= -0.379 USER MOD Single : A 76 ASN :FLIP amide:sc= -0.846 F(o=-1.4,f=-0.85) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.374 K(o=-0.37,f=-2.7!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN :FLIP amide:sc= -0.243 F(o=-0.84,f=-0.24) USER MOD Single : A 92 THR OG1 : rot 160:sc= 0.00569 USER MOD Single : A 97 HIS : no HD1:sc= -4.02! C(o=-4!,f=-5.7!) USER MOD Single : A 98 TYR OH : rot 180:sc= -0.171 USER MOD Single : A 101 GLN :FLIP amide:sc= -0.858 F(o=-1.8!,f=-0.86) USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.146 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -0.492 X(o=-0.49,f=-0.014) USER MOD Single : A 117 MET CE :methyl 168:sc= -1.69 (180deg=-2.54) USER MOD Single : A 119 SER OG : rot -37:sc= -1.46 USER MOD Single : A 121 THR OG1 : rot 180:sc= -0.0113! USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.847 6.573 11.540 1.00 0.00 N ATOM 2 CA GLY A 1 22.572 7.816 11.746 1.00 0.00 C ATOM 3 C GLY A 1 22.598 8.197 13.227 1.00 0.00 C ATOM 4 O GLY A 1 21.939 7.559 14.048 1.00 0.00 O ATOM 0 H1 GLY A 1 22.520 5.811 11.319 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.321 6.331 12.404 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.181 6.686 10.749 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.592 7.712 11.376 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.104 8.614 11.170 1.00 0.00 H new ATOM 8 N SER A 2 23.366 9.235 13.525 1.00 0.00 N ATOM 9 CA SER A 2 23.486 9.708 14.893 1.00 0.00 C ATOM 10 C SER A 2 22.953 11.138 15.002 1.00 0.00 C ATOM 11 O SER A 2 23.725 12.095 14.980 1.00 0.00 O ATOM 12 CB SER A 2 24.938 9.646 15.372 1.00 0.00 C ATOM 13 OG SER A 2 25.830 10.276 14.456 1.00 0.00 O ATOM 0 H SER A 2 23.911 9.761 12.842 1.00 0.00 H new ATOM 0 HA SER A 2 22.892 9.056 15.533 1.00 0.00 H new ATOM 0 HB2 SER A 2 25.019 10.128 16.346 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.231 8.605 15.506 1.00 0.00 H new ATOM 0 HG SER A 2 25.487 11.165 14.224 1.00 0.00 H new ATOM 19 N SER A 3 21.637 11.237 15.116 1.00 0.00 N ATOM 20 CA SER A 3 20.991 12.534 15.227 1.00 0.00 C ATOM 21 C SER A 3 19.503 12.353 15.536 1.00 0.00 C ATOM 22 O SER A 3 19.002 12.884 16.526 1.00 0.00 O ATOM 23 CB SER A 3 21.172 13.352 13.947 1.00 0.00 C ATOM 24 OG SER A 3 22.347 14.157 13.989 1.00 0.00 O ATOM 0 H SER A 3 21.000 10.440 15.134 1.00 0.00 H new ATOM 0 HA SER A 3 21.461 13.081 16.044 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.224 12.679 13.091 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.301 13.990 13.798 1.00 0.00 H new ATOM 0 HG SER A 3 23.081 13.644 14.387 1.00 0.00 H new ATOM 30 N GLY A 4 18.839 11.602 14.669 1.00 0.00 N ATOM 31 CA GLY A 4 17.419 11.345 14.837 1.00 0.00 C ATOM 32 C GLY A 4 17.147 9.847 14.982 1.00 0.00 C ATOM 33 O GLY A 4 17.063 9.128 13.988 1.00 0.00 O ATOM 0 H GLY A 4 19.258 11.164 13.849 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.052 11.872 15.718 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.871 11.737 13.980 1.00 0.00 H new ATOM 37 N SER A 5 17.016 9.420 16.230 1.00 0.00 N ATOM 38 CA SER A 5 16.755 8.020 16.518 1.00 0.00 C ATOM 39 C SER A 5 17.915 7.157 16.017 1.00 0.00 C ATOM 40 O SER A 5 18.361 7.310 14.881 1.00 0.00 O ATOM 41 CB SER A 5 15.440 7.562 15.883 1.00 0.00 C ATOM 42 OG SER A 5 14.400 7.429 16.847 1.00 0.00 O ATOM 0 H SER A 5 17.086 10.019 17.053 1.00 0.00 H new ATOM 0 HA SER A 5 16.665 7.905 17.598 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.137 8.279 15.120 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.593 6.607 15.381 1.00 0.00 H new ATOM 0 HG SER A 5 13.577 7.137 16.402 1.00 0.00 H new ATOM 48 N SER A 6 18.370 6.269 16.888 1.00 0.00 N ATOM 49 CA SER A 6 19.469 5.382 16.548 1.00 0.00 C ATOM 50 C SER A 6 18.965 4.240 15.663 1.00 0.00 C ATOM 51 O SER A 6 17.904 3.673 15.919 1.00 0.00 O ATOM 52 CB SER A 6 20.136 4.823 17.807 1.00 0.00 C ATOM 53 OG SER A 6 21.497 4.469 17.578 1.00 0.00 O ATOM 0 H SER A 6 17.997 6.145 17.829 1.00 0.00 H new ATOM 0 HA SER A 6 20.215 5.957 15.999 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.084 5.564 18.605 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.586 3.946 18.150 1.00 0.00 H new ATOM 0 HG SER A 6 21.887 4.118 18.406 1.00 0.00 H new ATOM 59 N GLY A 7 19.751 3.936 14.640 1.00 0.00 N ATOM 60 CA GLY A 7 19.398 2.872 13.716 1.00 0.00 C ATOM 61 C GLY A 7 20.110 3.053 12.374 1.00 0.00 C ATOM 62 O GLY A 7 21.338 3.053 12.314 1.00 0.00 O ATOM 0 H GLY A 7 20.631 4.408 14.431 1.00 0.00 H new ATOM 0 HA2 GLY A 7 19.666 1.907 14.147 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.319 2.863 13.561 1.00 0.00 H new ATOM 66 N VAL A 8 19.307 3.202 11.330 1.00 0.00 N ATOM 67 CA VAL A 8 19.845 3.383 9.992 1.00 0.00 C ATOM 68 C VAL A 8 19.387 4.735 9.442 1.00 0.00 C ATOM 69 O VAL A 8 18.390 5.291 9.901 1.00 0.00 O ATOM 70 CB VAL A 8 19.441 2.206 9.102 1.00 0.00 C ATOM 71 CG1 VAL A 8 19.618 2.553 7.622 1.00 0.00 C ATOM 72 CG2 VAL A 8 20.227 0.946 9.468 1.00 0.00 C ATOM 0 H VAL A 8 18.288 3.201 11.384 1.00 0.00 H new ATOM 0 HA VAL A 8 20.935 3.395 10.016 1.00 0.00 H new ATOM 0 HB VAL A 8 18.384 2.002 9.275 1.00 0.00 H new ATOM 0 HG11 VAL A 8 19.324 1.700 7.011 1.00 0.00 H new ATOM 0 HG12 VAL A 8 18.994 3.411 7.372 1.00 0.00 H new ATOM 0 HG13 VAL A 8 20.663 2.796 7.428 1.00 0.00 H new ATOM 0 HG21 VAL A 8 19.920 0.125 8.820 1.00 0.00 H new ATOM 0 HG22 VAL A 8 21.293 1.132 9.338 1.00 0.00 H new ATOM 0 HG23 VAL A 8 20.028 0.682 10.507 1.00 0.00 H new ATOM 82 N ILE A 9 20.136 5.225 8.465 1.00 0.00 N ATOM 83 CA ILE A 9 19.819 6.501 7.847 1.00 0.00 C ATOM 84 C ILE A 9 18.336 6.527 7.473 1.00 0.00 C ATOM 85 O ILE A 9 17.742 5.485 7.201 1.00 0.00 O ATOM 86 CB ILE A 9 20.755 6.773 6.668 1.00 0.00 C ATOM 87 CG1 ILE A 9 22.061 7.414 7.141 1.00 0.00 C ATOM 88 CG2 ILE A 9 20.059 7.614 5.597 1.00 0.00 C ATOM 89 CD1 ILE A 9 21.796 8.756 7.827 1.00 0.00 C ATOM 0 H ILE A 9 20.962 4.761 8.086 1.00 0.00 H new ATOM 0 HA ILE A 9 19.985 7.317 8.551 1.00 0.00 H new ATOM 0 HB ILE A 9 21.012 5.818 6.210 1.00 0.00 H new ATOM 0 HG12 ILE A 9 22.570 6.743 7.832 1.00 0.00 H new ATOM 0 HG13 ILE A 9 22.727 7.561 6.291 1.00 0.00 H new ATOM 0 HG21 ILE A 9 20.747 7.792 4.771 1.00 0.00 H new ATOM 0 HG22 ILE A 9 19.181 7.082 5.230 1.00 0.00 H new ATOM 0 HG23 ILE A 9 19.752 8.568 6.026 1.00 0.00 H new ATOM 0 HD11 ILE A 9 22.741 9.190 8.154 1.00 0.00 H new ATOM 0 HD12 ILE A 9 21.308 9.433 7.126 1.00 0.00 H new ATOM 0 HD13 ILE A 9 21.150 8.602 8.691 1.00 0.00 H new ATOM 101 N LEU A 10 17.780 7.730 7.471 1.00 0.00 N ATOM 102 CA LEU A 10 16.377 7.905 7.135 1.00 0.00 C ATOM 103 C LEU A 10 16.220 7.919 5.613 1.00 0.00 C ATOM 104 O LEU A 10 16.538 8.913 4.962 1.00 0.00 O ATOM 105 CB LEU A 10 15.813 9.150 7.823 1.00 0.00 C ATOM 106 CG LEU A 10 14.288 9.273 7.841 1.00 0.00 C ATOM 107 CD1 LEU A 10 13.713 9.182 6.427 1.00 0.00 C ATOM 108 CD2 LEU A 10 13.666 8.238 8.781 1.00 0.00 C ATOM 0 H LEU A 10 18.276 8.593 7.697 1.00 0.00 H new ATOM 0 HA LEU A 10 15.788 7.068 7.509 1.00 0.00 H new ATOM 0 HB2 LEU A 10 16.171 9.166 8.852 1.00 0.00 H new ATOM 0 HB3 LEU A 10 16.223 10.031 7.329 1.00 0.00 H new ATOM 0 HG LEU A 10 14.030 10.258 8.230 1.00 0.00 H new ATOM 0 HD11 LEU A 10 12.628 9.272 6.469 1.00 0.00 H new ATOM 0 HD12 LEU A 10 14.121 9.987 5.816 1.00 0.00 H new ATOM 0 HD13 LEU A 10 13.980 8.221 5.987 1.00 0.00 H new ATOM 0 HD21 LEU A 10 12.581 8.347 8.775 1.00 0.00 H new ATOM 0 HD22 LEU A 10 13.932 7.236 8.445 1.00 0.00 H new ATOM 0 HD23 LEU A 10 14.041 8.393 9.793 1.00 0.00 H new ATOM 120 N LYS A 11 15.729 6.805 5.091 1.00 0.00 N ATOM 121 CA LYS A 11 15.526 6.676 3.658 1.00 0.00 C ATOM 122 C LYS A 11 14.629 7.816 3.170 1.00 0.00 C ATOM 123 O LYS A 11 14.354 8.756 3.914 1.00 0.00 O ATOM 124 CB LYS A 11 14.992 5.284 3.315 1.00 0.00 C ATOM 125 CG LYS A 11 16.139 4.307 3.049 1.00 0.00 C ATOM 126 CD LYS A 11 15.606 2.946 2.595 1.00 0.00 C ATOM 127 CE LYS A 11 16.219 1.814 3.421 1.00 0.00 C ATOM 128 NZ LYS A 11 16.050 0.517 2.729 1.00 0.00 N ATOM 0 H LYS A 11 15.466 5.983 5.635 1.00 0.00 H new ATOM 0 HA LYS A 11 16.475 6.767 3.129 1.00 0.00 H new ATOM 0 HB2 LYS A 11 14.377 4.914 4.136 1.00 0.00 H new ATOM 0 HB3 LYS A 11 14.349 5.343 2.437 1.00 0.00 H new ATOM 0 HG2 LYS A 11 16.800 4.716 2.285 1.00 0.00 H new ATOM 0 HG3 LYS A 11 16.735 4.185 3.954 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.521 2.926 2.693 1.00 0.00 H new ATOM 0 HD3 LYS A 11 15.834 2.796 1.540 1.00 0.00 H new ATOM 0 HE2 LYS A 11 17.279 2.009 3.586 1.00 0.00 H new ATOM 0 HE3 LYS A 11 15.745 1.774 4.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 16.472 -0.240 3.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 15.037 0.325 2.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 16.522 0.553 1.803 1.00 0.00 H new ATOM 142 N GLU A 12 14.198 7.695 1.923 1.00 0.00 N ATOM 143 CA GLU A 12 13.339 8.703 1.327 1.00 0.00 C ATOM 144 C GLU A 12 11.899 8.191 1.244 1.00 0.00 C ATOM 145 O GLU A 12 10.959 8.919 1.559 1.00 0.00 O ATOM 146 CB GLU A 12 13.854 9.117 -0.053 1.00 0.00 C ATOM 147 CG GLU A 12 15.350 9.436 -0.006 1.00 0.00 C ATOM 148 CD GLU A 12 15.586 10.945 0.091 1.00 0.00 C ATOM 149 OE1 GLU A 12 15.471 11.466 1.221 1.00 0.00 O ATOM 150 OE2 GLU A 12 15.875 11.543 -0.968 1.00 0.00 O ATOM 0 H GLU A 12 14.428 6.914 1.309 1.00 0.00 H new ATOM 0 HA GLU A 12 13.354 9.587 1.964 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.672 8.316 -0.769 1.00 0.00 H new ATOM 0 HB3 GLU A 12 13.303 9.990 -0.404 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.805 8.937 0.850 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.837 9.045 -0.899 1.00 0.00 H new ATOM 157 N GLU A 13 11.772 6.943 0.818 1.00 0.00 N ATOM 158 CA GLU A 13 10.463 6.326 0.689 1.00 0.00 C ATOM 159 C GLU A 13 9.801 6.194 2.062 1.00 0.00 C ATOM 160 O GLU A 13 8.598 5.959 2.155 1.00 0.00 O ATOM 161 CB GLU A 13 10.565 4.965 -0.004 1.00 0.00 C ATOM 162 CG GLU A 13 11.634 4.092 0.656 1.00 0.00 C ATOM 163 CD GLU A 13 12.843 3.918 -0.265 1.00 0.00 C ATOM 164 OE1 GLU A 13 13.344 4.956 -0.748 1.00 0.00 O ATOM 165 OE2 GLU A 13 13.240 2.749 -0.465 1.00 0.00 O ATOM 0 H GLU A 13 12.554 6.342 0.558 1.00 0.00 H new ATOM 0 HA GLU A 13 9.839 6.968 0.067 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.601 4.459 0.037 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.806 5.107 -1.058 1.00 0.00 H new ATOM 0 HG2 GLU A 13 11.950 4.545 1.596 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.213 3.116 0.899 1.00 0.00 H new ATOM 172 N PHE A 14 10.617 6.351 3.095 1.00 0.00 N ATOM 173 CA PHE A 14 10.126 6.252 4.458 1.00 0.00 C ATOM 174 C PHE A 14 10.004 7.636 5.099 1.00 0.00 C ATOM 175 O PHE A 14 9.814 7.750 6.309 1.00 0.00 O ATOM 176 CB PHE A 14 11.148 5.428 5.244 1.00 0.00 C ATOM 177 CG PHE A 14 11.319 3.997 4.732 1.00 0.00 C ATOM 178 CD1 PHE A 14 10.477 3.509 3.781 1.00 0.00 C ATOM 179 CD2 PHE A 14 12.312 3.211 5.228 1.00 0.00 C ATOM 180 CE1 PHE A 14 10.636 2.181 3.306 1.00 0.00 C ATOM 181 CE2 PHE A 14 12.470 1.882 4.753 1.00 0.00 C ATOM 182 CZ PHE A 14 11.629 1.395 3.802 1.00 0.00 C ATOM 0 H PHE A 14 11.615 6.546 3.014 1.00 0.00 H new ATOM 0 HA PHE A 14 9.139 5.789 4.464 1.00 0.00 H new ATOM 0 HB2 PHE A 14 12.113 5.934 5.207 1.00 0.00 H new ATOM 0 HB3 PHE A 14 10.845 5.395 6.291 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.688 4.132 3.388 1.00 0.00 H new ATOM 0 HD2 PHE A 14 12.980 3.598 5.983 1.00 0.00 H new ATOM 0 HE1 PHE A 14 9.968 1.794 2.550 1.00 0.00 H new ATOM 0 HE2 PHE A 14 13.258 1.258 5.147 1.00 0.00 H new ATOM 0 HZ PHE A 14 11.749 0.384 3.441 1.00 0.00 H new ATOM 192 N ARG A 15 10.118 8.654 4.258 1.00 0.00 N ATOM 193 CA ARG A 15 10.023 10.026 4.727 1.00 0.00 C ATOM 194 C ARG A 15 8.560 10.406 4.962 1.00 0.00 C ATOM 195 O ARG A 15 8.074 11.391 4.408 1.00 0.00 O ATOM 196 CB ARG A 15 10.639 10.997 3.718 1.00 0.00 C ATOM 197 CG ARG A 15 12.166 10.911 3.736 1.00 0.00 C ATOM 198 CD ARG A 15 12.754 11.813 4.824 1.00 0.00 C ATOM 199 NE ARG A 15 12.462 13.231 4.517 1.00 0.00 N ATOM 200 CZ ARG A 15 13.024 14.268 5.153 1.00 0.00 C ATOM 201 NH1 ARG A 15 13.911 14.052 6.134 1.00 0.00 N ATOM 202 NH2 ARG A 15 12.700 15.521 4.807 1.00 0.00 N ATOM 0 H ARG A 15 10.275 8.556 3.255 1.00 0.00 H new ATOM 0 HA ARG A 15 10.575 10.095 5.664 1.00 0.00 H new ATOM 0 HB2 ARG A 15 10.270 10.770 2.718 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.326 12.015 3.950 1.00 0.00 H new ATOM 0 HG2 ARG A 15 12.474 9.880 3.908 1.00 0.00 H new ATOM 0 HG3 ARG A 15 12.562 11.203 2.763 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.334 11.548 5.794 1.00 0.00 H new ATOM 0 HD3 ARG A 15 13.831 11.661 4.891 1.00 0.00 H new ATOM 0 HE ARG A 15 11.791 13.431 3.775 1.00 0.00 H new ATOM 0 HH11 ARG A 15 14.159 13.098 6.397 1.00 0.00 H new ATOM 0 HH12 ARG A 15 14.339 14.842 6.618 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.026 15.686 4.060 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.128 16.310 5.291 1.00 0.00 H new ATOM 216 N GLY A 16 7.899 9.606 5.786 1.00 0.00 N ATOM 217 CA GLY A 16 6.501 9.846 6.101 1.00 0.00 C ATOM 218 C GLY A 16 6.119 9.193 7.431 1.00 0.00 C ATOM 219 O GLY A 16 6.954 9.060 8.324 1.00 0.00 O ATOM 0 H GLY A 16 8.306 8.791 6.245 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.315 10.919 6.152 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.872 9.451 5.304 1.00 0.00 H new ATOM 223 N VAL A 17 4.856 8.802 7.520 1.00 0.00 N ATOM 224 CA VAL A 17 4.353 8.166 8.725 1.00 0.00 C ATOM 225 C VAL A 17 3.425 7.012 8.339 1.00 0.00 C ATOM 226 O VAL A 17 2.978 6.926 7.196 1.00 0.00 O ATOM 227 CB VAL A 17 3.674 9.204 9.621 1.00 0.00 C ATOM 228 CG1 VAL A 17 2.314 9.613 9.054 1.00 0.00 C ATOM 229 CG2 VAL A 17 3.537 8.686 11.054 1.00 0.00 C ATOM 0 H VAL A 17 4.166 8.914 6.777 1.00 0.00 H new ATOM 0 HA VAL A 17 5.174 7.743 9.304 1.00 0.00 H new ATOM 0 HB VAL A 17 4.307 10.091 9.644 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.853 10.351 9.710 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.448 10.043 8.061 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.670 8.736 8.986 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.051 9.443 11.670 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.936 7.776 11.056 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.526 8.469 11.458 1.00 0.00 H new ATOM 239 N ILE A 18 3.161 6.155 9.314 1.00 0.00 N ATOM 240 CA ILE A 18 2.295 5.010 9.090 1.00 0.00 C ATOM 241 C ILE A 18 0.861 5.378 9.477 1.00 0.00 C ATOM 242 O ILE A 18 0.633 6.387 10.143 1.00 0.00 O ATOM 243 CB ILE A 18 2.832 3.779 9.822 1.00 0.00 C ATOM 244 CG1 ILE A 18 4.095 3.245 9.143 1.00 0.00 C ATOM 245 CG2 ILE A 18 1.752 2.703 9.953 1.00 0.00 C ATOM 246 CD1 ILE A 18 5.034 2.596 10.162 1.00 0.00 C ATOM 0 H ILE A 18 3.532 6.231 10.261 1.00 0.00 H new ATOM 0 HA ILE A 18 2.283 4.743 8.033 1.00 0.00 H new ATOM 0 HB ILE A 18 3.112 4.078 10.832 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.821 2.516 8.380 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.611 4.060 8.635 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.161 1.839 10.477 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.907 3.102 10.515 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.418 2.400 8.961 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.923 2.225 9.653 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.325 3.334 10.910 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.523 1.766 10.651 1.00 0.00 H new ATOM 258 N ILE A 19 -0.069 4.540 9.043 1.00 0.00 N ATOM 259 CA ILE A 19 -1.474 4.765 9.336 1.00 0.00 C ATOM 260 C ILE A 19 -2.150 3.424 9.633 1.00 0.00 C ATOM 261 O ILE A 19 -2.936 3.316 10.572 1.00 0.00 O ATOM 262 CB ILE A 19 -2.139 5.550 8.203 1.00 0.00 C ATOM 263 CG1 ILE A 19 -1.655 5.058 6.838 1.00 0.00 C ATOM 264 CG2 ILE A 19 -1.923 7.055 8.380 1.00 0.00 C ATOM 265 CD1 ILE A 19 -0.408 5.823 6.389 1.00 0.00 C ATOM 0 H ILE A 19 0.123 3.704 8.491 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.582 5.382 10.228 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.213 5.371 8.247 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.433 3.992 6.890 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.448 5.183 6.100 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.405 7.590 7.562 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.355 7.376 9.328 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.855 7.272 8.376 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.085 5.453 5.416 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.640 6.885 6.315 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.391 5.676 7.116 1.00 0.00 H new ATOM 277 N LYS A 20 -1.818 2.437 8.814 1.00 0.00 N ATOM 278 CA LYS A 20 -2.382 1.108 8.978 1.00 0.00 C ATOM 279 C LYS A 20 -1.261 0.070 8.906 1.00 0.00 C ATOM 280 O LYS A 20 -0.285 0.254 8.180 1.00 0.00 O ATOM 281 CB LYS A 20 -3.503 0.874 7.963 1.00 0.00 C ATOM 282 CG LYS A 20 -3.902 -0.603 7.917 1.00 0.00 C ATOM 283 CD LYS A 20 -4.781 -0.971 9.114 1.00 0.00 C ATOM 284 CE LYS A 20 -6.256 -1.036 8.711 1.00 0.00 C ATOM 285 NZ LYS A 20 -6.902 0.283 8.896 1.00 0.00 N ATOM 0 H LYS A 20 -1.166 2.531 8.035 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.845 1.009 9.960 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.370 1.480 8.227 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.177 1.197 6.974 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.438 -0.810 6.991 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.007 -1.225 7.914 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.468 -1.934 9.518 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.649 -0.235 9.907 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.341 -1.347 7.670 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.770 -1.787 9.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.457 0.520 8.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.531 0.248 9.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.172 1.009 9.046 1.00 0.00 H new ATOM 299 N GLN A 21 -1.438 -0.999 9.669 1.00 0.00 N ATOM 300 CA GLN A 21 -0.453 -2.067 9.701 1.00 0.00 C ATOM 301 C GLN A 21 -1.112 -3.386 10.109 1.00 0.00 C ATOM 302 O GLN A 21 -2.083 -3.391 10.865 1.00 0.00 O ATOM 303 CB GLN A 21 0.703 -1.718 10.640 1.00 0.00 C ATOM 304 CG GLN A 21 1.601 -0.641 10.029 1.00 0.00 C ATOM 305 CD GLN A 21 2.846 -0.411 10.889 1.00 0.00 C ATOM 306 OE1 GLN A 21 3.956 -0.763 10.526 1.00 0.00 O ATOM 307 NE2 GLN A 21 2.599 0.198 12.045 1.00 0.00 N ATOM 0 H GLN A 21 -2.249 -1.148 10.270 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.041 -2.185 8.699 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.308 -1.369 11.594 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.291 -2.612 10.846 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.899 -0.939 9.024 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.044 0.291 9.933 1.00 0.00 H new ATOM 0 HE21 GLN A 21 1.645 0.466 12.287 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.364 0.397 12.690 1.00 0.00 H new ATOM 316 N GLY A 22 -0.559 -4.472 9.590 1.00 0.00 N ATOM 317 CA GLY A 22 -1.082 -5.794 9.891 1.00 0.00 C ATOM 318 C GLY A 22 -0.704 -6.795 8.798 1.00 0.00 C ATOM 319 O GLY A 22 0.095 -6.484 7.915 1.00 0.00 O ATOM 0 H GLY A 22 0.246 -4.464 8.963 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.692 -6.133 10.851 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.167 -5.747 9.986 1.00 0.00 H new ATOM 323 N CYS A 23 -1.295 -7.978 8.892 1.00 0.00 N ATOM 324 CA CYS A 23 -1.029 -9.026 7.922 1.00 0.00 C ATOM 325 C CYS A 23 -2.178 -9.048 6.912 1.00 0.00 C ATOM 326 O CYS A 23 -3.304 -8.673 7.238 1.00 0.00 O ATOM 327 CB CYS A 23 -0.837 -10.386 8.597 1.00 0.00 C ATOM 328 SG CYS A 23 0.824 -10.477 9.360 1.00 0.00 S ATOM 0 H CYS A 23 -1.957 -8.233 9.625 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.094 -8.816 7.403 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.604 -10.536 9.357 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.954 -11.185 7.864 1.00 0.00 H new ATOM 0 HG CYS A 23 0.976 -11.634 9.932 1.00 0.00 H new ATOM 334 N LEU A 24 -1.855 -9.491 5.706 1.00 0.00 N ATOM 335 CA LEU A 24 -2.846 -9.566 4.646 1.00 0.00 C ATOM 336 C LEU A 24 -2.487 -10.713 3.699 1.00 0.00 C ATOM 337 O LEU A 24 -1.324 -11.101 3.601 1.00 0.00 O ATOM 338 CB LEU A 24 -2.987 -8.213 3.947 1.00 0.00 C ATOM 339 CG LEU A 24 -3.880 -7.186 4.646 1.00 0.00 C ATOM 340 CD1 LEU A 24 -4.005 -5.909 3.812 1.00 0.00 C ATOM 341 CD2 LEU A 24 -5.246 -7.787 4.984 1.00 0.00 C ATOM 0 H LEU A 24 -0.921 -9.802 5.439 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.830 -9.789 5.059 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.993 -7.781 3.831 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.379 -8.384 2.945 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.408 -6.909 5.589 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.645 -5.196 4.332 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.017 -5.471 3.667 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.442 -6.149 2.843 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.861 -7.036 5.480 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.738 -8.111 4.067 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.113 -8.643 5.646 1.00 0.00 H new ATOM 353 N LEU A 25 -3.508 -11.223 3.025 1.00 0.00 N ATOM 354 CA LEU A 25 -3.315 -12.318 2.090 1.00 0.00 C ATOM 355 C LEU A 25 -3.203 -11.757 0.671 1.00 0.00 C ATOM 356 O LEU A 25 -4.213 -11.461 0.035 1.00 0.00 O ATOM 357 CB LEU A 25 -4.420 -13.363 2.252 1.00 0.00 C ATOM 358 CG LEU A 25 -4.658 -13.873 3.675 1.00 0.00 C ATOM 359 CD1 LEU A 25 -3.428 -14.613 4.205 1.00 0.00 C ATOM 360 CD2 LEU A 25 -5.083 -12.732 4.602 1.00 0.00 C ATOM 0 H LEU A 25 -4.471 -10.898 3.108 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.382 -12.840 2.302 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.352 -12.938 1.879 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.182 -14.216 1.617 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.479 -14.590 3.648 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.624 -14.965 5.218 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.210 -15.465 3.561 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.573 -13.937 4.215 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.246 -13.121 5.607 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.300 -11.974 4.629 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.006 -12.287 4.231 1.00 0.00 H new ATOM 372 N LYS A 26 -1.965 -11.626 0.216 1.00 0.00 N ATOM 373 CA LYS A 26 -1.708 -11.106 -1.116 1.00 0.00 C ATOM 374 C LYS A 26 -1.679 -12.264 -2.114 1.00 0.00 C ATOM 375 O LYS A 26 -0.892 -13.198 -1.964 1.00 0.00 O ATOM 376 CB LYS A 26 -0.436 -10.256 -1.122 1.00 0.00 C ATOM 377 CG LYS A 26 -0.275 -9.520 -2.454 1.00 0.00 C ATOM 378 CD LYS A 26 1.143 -8.966 -2.607 1.00 0.00 C ATOM 379 CE LYS A 26 2.014 -9.911 -3.438 1.00 0.00 C ATOM 380 NZ LYS A 26 3.390 -9.379 -3.554 1.00 0.00 N ATOM 0 H LYS A 26 -1.129 -11.871 0.747 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.512 -10.438 -1.426 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.473 -9.534 -0.306 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.432 -10.892 -0.947 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.495 -10.199 -3.278 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.996 -8.705 -2.512 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.105 -7.987 -3.084 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.590 -8.824 -1.623 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.037 -10.897 -2.974 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.581 -10.036 -4.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.968 -10.032 -4.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.364 -8.448 -4.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.806 -9.282 -2.606 1.00 0.00 H new ATOM 394 N GLN A 27 -2.545 -12.166 -3.112 1.00 0.00 N ATOM 395 CA GLN A 27 -2.628 -13.194 -4.135 1.00 0.00 C ATOM 396 C GLN A 27 -1.643 -12.897 -5.268 1.00 0.00 C ATOM 397 O GLN A 27 -1.343 -11.737 -5.546 1.00 0.00 O ATOM 398 CB GLN A 27 -4.056 -13.321 -4.670 1.00 0.00 C ATOM 399 CG GLN A 27 -4.732 -14.584 -4.133 1.00 0.00 C ATOM 400 CD GLN A 27 -4.689 -15.711 -5.167 1.00 0.00 C ATOM 401 OE1 GLN A 27 -4.134 -15.579 -6.245 1.00 0.00 O ATOM 402 NE2 GLN A 27 -5.303 -16.825 -4.778 1.00 0.00 N ATOM 0 H GLN A 27 -3.196 -11.390 -3.234 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.357 -14.149 -3.685 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.635 -12.444 -4.382 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.039 -13.348 -5.760 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.235 -14.906 -3.218 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.767 -14.364 -3.873 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.748 -16.868 -3.861 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.329 -17.636 -5.396 1.00 0.00 H new ATOM 411 N GLY A 28 -1.166 -13.965 -5.890 1.00 0.00 N ATOM 412 CA GLY A 28 -0.221 -13.833 -6.985 1.00 0.00 C ATOM 413 C GLY A 28 -0.447 -14.920 -8.038 1.00 0.00 C ATOM 414 O GLY A 28 -1.583 -15.316 -8.293 1.00 0.00 O ATOM 0 H GLY A 28 -1.417 -14.926 -5.656 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.326 -12.850 -7.444 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.797 -13.899 -6.601 1.00 0.00 H new ATOM 418 N HIS A 29 0.654 -15.372 -8.622 1.00 0.00 N ATOM 419 CA HIS A 29 0.590 -16.405 -9.641 1.00 0.00 C ATOM 420 C HIS A 29 1.276 -17.674 -9.130 1.00 0.00 C ATOM 421 O HIS A 29 2.292 -18.098 -9.678 1.00 0.00 O ATOM 422 CB HIS A 29 1.180 -15.904 -10.961 1.00 0.00 C ATOM 423 CG HIS A 29 2.607 -15.422 -10.853 1.00 0.00 C ATOM 424 ND1 HIS A 29 3.501 -15.508 -9.827 1.00 0.00 N flip ATOM 425 CD2 HIS A 29 3.256 -14.764 -11.883 1.00 0.00 C flip ATOM 426 CE1 HIS A 29 4.636 -14.936 -10.210 1.00 0.00 C flip ATOM 427 NE2 HIS A 29 4.486 -14.474 -11.484 1.00 0.00 N flip ATOM 0 H HIS A 29 1.595 -15.041 -8.408 1.00 0.00 H new ATOM 0 HA HIS A 29 -0.451 -16.653 -9.846 1.00 0.00 H new ATOM 0 HB2 HIS A 29 1.134 -16.708 -11.696 1.00 0.00 H new ATOM 0 HB3 HIS A 29 0.560 -15.091 -11.338 1.00 0.00 H new ATOM 0 HD2 HIS A 29 2.832 -14.527 -12.848 1.00 0.00 H new ATOM 0 HE1 HIS A 29 5.531 -14.851 -9.611 1.00 0.00 H new ATOM 0 HE2 HIS A 29 5.196 -13.990 -12.034 1.00 0.00 H new ATOM 435 N ARG A 30 0.694 -18.243 -8.085 1.00 0.00 N ATOM 436 CA ARG A 30 1.236 -19.454 -7.493 1.00 0.00 C ATOM 437 C ARG A 30 0.342 -20.652 -7.822 1.00 0.00 C ATOM 438 O ARG A 30 0.838 -21.740 -8.109 1.00 0.00 O ATOM 439 CB ARG A 30 1.357 -19.318 -5.974 1.00 0.00 C ATOM 440 CG ARG A 30 2.817 -19.129 -5.555 1.00 0.00 C ATOM 441 CD ARG A 30 3.474 -20.473 -5.235 1.00 0.00 C ATOM 442 NE ARG A 30 2.988 -20.976 -3.931 1.00 0.00 N ATOM 443 CZ ARG A 30 3.349 -22.151 -3.397 1.00 0.00 C ATOM 444 NH1 ARG A 30 4.201 -22.951 -4.052 1.00 0.00 N ATOM 445 NH2 ARG A 30 2.857 -22.526 -2.208 1.00 0.00 N ATOM 0 H ARG A 30 -0.148 -17.887 -7.633 1.00 0.00 H new ATOM 0 HA ARG A 30 2.230 -19.612 -7.912 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.764 -18.469 -5.633 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.949 -20.206 -5.492 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.367 -18.632 -6.354 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.867 -18.479 -4.682 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.247 -21.194 -6.020 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.558 -20.360 -5.210 1.00 0.00 H new ATOM 0 HE ARG A 30 2.337 -20.392 -3.406 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.575 -22.666 -4.957 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.476 -23.845 -3.646 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.208 -21.917 -1.710 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.132 -23.420 -1.801 1.00 0.00 H new ATOM 459 N ARG A 31 -0.959 -20.410 -7.768 1.00 0.00 N ATOM 460 CA ARG A 31 -1.927 -21.455 -8.056 1.00 0.00 C ATOM 461 C ARG A 31 -1.838 -22.565 -7.006 1.00 0.00 C ATOM 462 O ARG A 31 -1.228 -23.605 -7.248 1.00 0.00 O ATOM 463 CB ARG A 31 -1.692 -22.056 -9.444 1.00 0.00 C ATOM 464 CG ARG A 31 -2.848 -21.720 -10.389 1.00 0.00 C ATOM 465 CD ARG A 31 -3.720 -22.950 -10.648 1.00 0.00 C ATOM 466 NE ARG A 31 -4.714 -22.652 -11.702 1.00 0.00 N ATOM 467 CZ ARG A 31 -5.463 -23.581 -12.313 1.00 0.00 C ATOM 468 NH1 ARG A 31 -5.333 -24.872 -11.977 1.00 0.00 N ATOM 469 NH2 ARG A 31 -6.340 -23.220 -13.259 1.00 0.00 N ATOM 0 H ARG A 31 -1.366 -19.506 -7.529 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.919 -21.004 -8.030 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.758 -21.675 -9.856 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.586 -23.138 -9.363 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.455 -20.924 -9.958 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.453 -21.344 -11.333 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.096 -23.791 -10.952 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.228 -23.246 -9.730 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.837 -21.679 -11.981 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.665 -25.147 -11.257 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.902 -25.580 -12.441 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.438 -22.238 -13.515 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.909 -23.928 -13.723 1.00 0.00 H new ATOM 483 N LYS A 32 -2.456 -22.306 -5.864 1.00 0.00 N ATOM 484 CA LYS A 32 -2.454 -23.269 -4.776 1.00 0.00 C ATOM 485 C LYS A 32 -3.266 -22.712 -3.605 1.00 0.00 C ATOM 486 O LYS A 32 -4.056 -23.431 -2.995 1.00 0.00 O ATOM 487 CB LYS A 32 -1.021 -23.654 -4.403 1.00 0.00 C ATOM 488 CG LYS A 32 -0.929 -25.136 -4.035 1.00 0.00 C ATOM 489 CD LYS A 32 -1.257 -25.355 -2.557 1.00 0.00 C ATOM 490 CE LYS A 32 -0.178 -26.199 -1.875 1.00 0.00 C ATOM 491 NZ LYS A 32 -0.393 -26.232 -0.411 1.00 0.00 N ATOM 0 H LYS A 32 -2.962 -21.442 -5.668 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.937 -24.195 -5.087 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.354 -23.441 -5.239 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.684 -23.046 -3.564 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.618 -25.711 -4.653 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.074 -25.506 -4.247 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.343 -24.392 -2.053 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.224 -25.850 -2.465 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.195 -27.213 -2.274 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.807 -25.787 -2.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.348 -26.809 0.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.354 -25.264 -0.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.325 -26.646 -0.206 1.00 0.00 H new ATOM 505 N ASN A 33 -3.044 -21.436 -3.327 1.00 0.00 N ATOM 506 CA ASN A 33 -3.745 -20.774 -2.240 1.00 0.00 C ATOM 507 C ASN A 33 -3.144 -19.384 -2.022 1.00 0.00 C ATOM 508 O ASN A 33 -2.316 -18.932 -2.811 1.00 0.00 O ATOM 509 CB ASN A 33 -3.605 -21.560 -0.934 1.00 0.00 C ATOM 510 CG ASN A 33 -4.948 -21.664 -0.210 1.00 0.00 C ATOM 511 OD1 ASN A 33 -5.850 -20.865 -0.402 1.00 0.00 O ATOM 512 ND2 ASN A 33 -5.031 -22.691 0.631 1.00 0.00 N ATOM 0 H ASN A 33 -2.388 -20.843 -3.836 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.799 -20.708 -2.510 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -3.224 -22.559 -1.146 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -2.876 -21.071 -0.288 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -5.888 -22.847 1.162 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -4.238 -23.323 0.745 1.00 0.00 H new ATOM 519 N TRP A 34 -3.583 -18.746 -0.947 1.00 0.00 N ATOM 520 CA TRP A 34 -3.098 -17.417 -0.615 1.00 0.00 C ATOM 521 C TRP A 34 -1.879 -17.572 0.296 1.00 0.00 C ATOM 522 O TRP A 34 -1.446 -18.689 0.575 1.00 0.00 O ATOM 523 CB TRP A 34 -4.208 -16.569 0.009 1.00 0.00 C ATOM 524 CG TRP A 34 -5.466 -16.456 -0.855 1.00 0.00 C ATOM 525 CD1 TRP A 34 -6.094 -17.429 -1.529 1.00 0.00 C ATOM 526 CD2 TRP A 34 -6.228 -15.258 -1.111 1.00 0.00 C ATOM 527 NE1 TRP A 34 -7.200 -16.948 -2.199 1.00 0.00 N ATOM 528 CE2 TRP A 34 -7.285 -15.585 -1.936 1.00 0.00 C ATOM 529 CE3 TRP A 34 -6.032 -13.941 -0.660 1.00 0.00 C ATOM 530 CZ2 TRP A 34 -8.227 -14.651 -2.382 1.00 0.00 C ATOM 531 CZ3 TRP A 34 -6.982 -13.019 -1.115 1.00 0.00 C ATOM 532 CH2 TRP A 34 -8.051 -13.332 -1.946 1.00 0.00 C ATOM 0 H TRP A 34 -4.269 -19.125 -0.295 1.00 0.00 H new ATOM 0 HA TRP A 34 -2.794 -16.881 -1.514 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -4.480 -16.998 0.974 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -3.821 -15.568 0.202 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -5.774 -18.461 -1.546 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -7.838 -17.492 -2.780 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -5.213 -13.662 -0.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -9.046 -14.932 -3.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -6.877 -11.992 -0.798 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -8.743 -12.562 -2.254 1.00 0.00 H new ATOM 543 N LYS A 35 -1.361 -16.435 0.736 1.00 0.00 N ATOM 544 CA LYS A 35 -0.201 -16.430 1.611 1.00 0.00 C ATOM 545 C LYS A 35 -0.282 -15.228 2.553 1.00 0.00 C ATOM 546 O LYS A 35 -0.618 -14.123 2.128 1.00 0.00 O ATOM 547 CB LYS A 35 1.089 -16.482 0.790 1.00 0.00 C ATOM 548 CG LYS A 35 2.311 -16.209 1.670 1.00 0.00 C ATOM 549 CD LYS A 35 3.366 -17.304 1.499 1.00 0.00 C ATOM 550 CE LYS A 35 4.460 -17.182 2.561 1.00 0.00 C ATOM 551 NZ LYS A 35 5.797 -17.162 1.928 1.00 0.00 N ATOM 0 H LYS A 35 -1.723 -15.510 0.503 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.191 -17.324 2.235 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.186 -17.461 0.320 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.043 -15.746 -0.013 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.741 -15.241 1.411 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.006 -16.153 2.715 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.893 -18.284 1.570 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.809 -17.235 0.506 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.312 -16.271 3.141 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.393 -18.018 3.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.502 -16.829 2.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.047 -18.121 1.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.784 -16.522 1.108 1.00 0.00 H new ATOM 565 N VAL A 36 0.030 -15.483 3.815 1.00 0.00 N ATOM 566 CA VAL A 36 -0.004 -14.435 4.821 1.00 0.00 C ATOM 567 C VAL A 36 1.270 -13.594 4.718 1.00 0.00 C ATOM 568 O VAL A 36 2.367 -14.136 4.591 1.00 0.00 O ATOM 569 CB VAL A 36 -0.205 -15.048 6.208 1.00 0.00 C ATOM 570 CG1 VAL A 36 0.193 -14.060 7.307 1.00 0.00 C ATOM 571 CG2 VAL A 36 -1.648 -15.521 6.394 1.00 0.00 C ATOM 0 H VAL A 36 0.308 -16.400 4.164 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.849 -13.768 4.650 1.00 0.00 H new ATOM 0 HB VAL A 36 0.446 -15.918 6.287 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.040 -14.521 8.283 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.243 -13.792 7.192 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.421 -13.163 7.229 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.764 -15.953 7.388 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.325 -14.674 6.285 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.884 -16.274 5.642 1.00 0.00 H new ATOM 581 N ARG A 37 1.083 -12.284 4.777 1.00 0.00 N ATOM 582 CA ARG A 37 2.203 -11.363 4.692 1.00 0.00 C ATOM 583 C ARG A 37 1.874 -10.057 5.419 1.00 0.00 C ATOM 584 O ARG A 37 0.708 -9.676 5.520 1.00 0.00 O ATOM 585 CB ARG A 37 2.553 -11.053 3.235 1.00 0.00 C ATOM 586 CG ARG A 37 3.063 -12.304 2.516 1.00 0.00 C ATOM 587 CD ARG A 37 3.569 -11.961 1.113 1.00 0.00 C ATOM 588 NE ARG A 37 3.524 -13.164 0.252 1.00 0.00 N ATOM 589 CZ ARG A 37 4.502 -14.078 0.186 1.00 0.00 C ATOM 590 NH1 ARG A 37 5.607 -13.932 0.930 1.00 0.00 N ATOM 591 NH2 ARG A 37 4.375 -15.138 -0.624 1.00 0.00 N ATOM 0 H ARG A 37 0.172 -11.838 4.883 1.00 0.00 H new ATOM 0 HA ARG A 37 3.060 -11.841 5.166 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.673 -10.666 2.720 1.00 0.00 H new ATOM 0 HB3 ARG A 37 3.313 -10.272 3.198 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.866 -12.759 3.095 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.263 -13.041 2.448 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.957 -11.170 0.680 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.589 -11.581 1.168 1.00 0.00 H new ATOM 0 HE ARG A 37 2.697 -13.306 -0.327 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.704 -13.125 1.547 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.351 -14.628 0.880 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.534 -15.249 -1.190 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.119 -15.834 -0.674 1.00 0.00 H new ATOM 605 N LYS A 38 2.921 -9.408 5.906 1.00 0.00 N ATOM 606 CA LYS A 38 2.757 -8.153 6.620 1.00 0.00 C ATOM 607 C LYS A 38 2.588 -7.015 5.611 1.00 0.00 C ATOM 608 O LYS A 38 3.238 -7.005 4.566 1.00 0.00 O ATOM 609 CB LYS A 38 3.912 -7.939 7.600 1.00 0.00 C ATOM 610 CG LYS A 38 3.773 -6.602 8.329 1.00 0.00 C ATOM 611 CD LYS A 38 3.996 -6.771 9.833 1.00 0.00 C ATOM 612 CE LYS A 38 4.449 -5.457 10.472 1.00 0.00 C ATOM 613 NZ LYS A 38 5.922 -5.326 10.399 1.00 0.00 N ATOM 0 H LYS A 38 3.886 -9.727 5.820 1.00 0.00 H new ATOM 0 HA LYS A 38 1.853 -8.177 7.229 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.933 -8.752 8.326 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.860 -7.967 7.062 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.494 -5.889 7.929 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.781 -6.187 8.149 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.074 -7.110 10.305 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.746 -7.542 10.008 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.978 -4.617 9.963 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.126 -5.421 11.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.210 -4.414 10.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.366 -6.100 10.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.226 -5.373 9.405 1.00 0.00 H new ATOM 627 N PHE A 39 1.712 -6.084 5.959 1.00 0.00 N ATOM 628 CA PHE A 39 1.450 -4.944 5.096 1.00 0.00 C ATOM 629 C PHE A 39 1.380 -3.648 5.907 1.00 0.00 C ATOM 630 O PHE A 39 0.478 -3.471 6.725 1.00 0.00 O ATOM 631 CB PHE A 39 0.094 -5.189 4.431 1.00 0.00 C ATOM 632 CG PHE A 39 0.186 -5.889 3.073 1.00 0.00 C ATOM 633 CD1 PHE A 39 0.172 -7.248 3.007 1.00 0.00 C ATOM 634 CD2 PHE A 39 0.280 -5.154 1.933 1.00 0.00 C ATOM 635 CE1 PHE A 39 0.257 -7.898 1.747 1.00 0.00 C ATOM 636 CE2 PHE A 39 0.364 -5.804 0.674 1.00 0.00 C ATOM 637 CZ PHE A 39 0.351 -7.162 0.607 1.00 0.00 C ATOM 0 H PHE A 39 1.175 -6.095 6.826 1.00 0.00 H new ATOM 0 HA PHE A 39 2.250 -4.840 4.363 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.523 -5.791 5.098 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.414 -4.233 4.302 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.096 -7.832 3.912 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.291 -4.075 1.985 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.247 -8.977 1.694 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.438 -5.220 -0.231 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.415 -7.656 -0.351 1.00 0.00 H new ATOM 647 N ILE A 40 2.343 -2.775 5.651 1.00 0.00 N ATOM 648 CA ILE A 40 2.401 -1.500 6.347 1.00 0.00 C ATOM 649 C ILE A 40 2.057 -0.375 5.369 1.00 0.00 C ATOM 650 O ILE A 40 2.594 -0.322 4.264 1.00 0.00 O ATOM 651 CB ILE A 40 3.758 -1.326 7.033 1.00 0.00 C ATOM 652 CG1 ILE A 40 4.002 -2.439 8.054 1.00 0.00 C ATOM 653 CG2 ILE A 40 3.881 0.064 7.659 1.00 0.00 C ATOM 654 CD1 ILE A 40 5.476 -2.494 8.463 1.00 0.00 C ATOM 0 H ILE A 40 3.089 -2.925 4.972 1.00 0.00 H new ATOM 0 HA ILE A 40 1.660 -1.467 7.145 1.00 0.00 H new ATOM 0 HB ILE A 40 4.538 -1.408 6.276 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.382 -2.272 8.935 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.702 -3.398 7.631 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.854 0.162 8.140 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.782 0.823 6.883 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.094 0.200 8.401 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.622 -3.293 9.189 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.091 -2.686 7.584 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.766 -1.542 8.908 1.00 0.00 H new ATOM 666 N LEU A 41 1.165 0.499 5.813 1.00 0.00 N ATOM 667 CA LEU A 41 0.743 1.620 4.991 1.00 0.00 C ATOM 668 C LEU A 41 1.328 2.914 5.562 1.00 0.00 C ATOM 669 O LEU A 41 1.357 3.103 6.777 1.00 0.00 O ATOM 670 CB LEU A 41 -0.781 1.642 4.855 1.00 0.00 C ATOM 671 CG LEU A 41 -1.374 2.867 4.156 1.00 0.00 C ATOM 672 CD1 LEU A 41 -1.077 2.839 2.656 1.00 0.00 C ATOM 673 CD2 LEU A 41 -2.873 2.988 4.441 1.00 0.00 C ATOM 0 H LEU A 41 0.723 0.453 6.731 1.00 0.00 H new ATOM 0 HA LEU A 41 1.129 1.515 3.977 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.090 0.751 4.308 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.216 1.571 5.852 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.895 3.758 4.563 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.509 3.721 2.183 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.002 2.835 2.499 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.511 1.941 2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.270 3.867 3.933 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.385 2.097 4.079 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.032 3.087 5.515 1.00 0.00 H new ATOM 685 N ARG A 42 1.781 3.770 4.658 1.00 0.00 N ATOM 686 CA ARG A 42 2.363 5.040 5.056 1.00 0.00 C ATOM 687 C ARG A 42 1.928 6.149 4.095 1.00 0.00 C ATOM 688 O ARG A 42 2.087 6.021 2.882 1.00 0.00 O ATOM 689 CB ARG A 42 3.891 4.963 5.076 1.00 0.00 C ATOM 690 CG ARG A 42 4.443 4.653 3.683 1.00 0.00 C ATOM 691 CD ARG A 42 5.956 4.432 3.729 1.00 0.00 C ATOM 692 NE ARG A 42 6.332 3.766 4.996 1.00 0.00 N ATOM 693 CZ ARG A 42 6.572 4.416 6.143 1.00 0.00 C ATOM 694 NH1 ARG A 42 6.477 5.751 6.190 1.00 0.00 N ATOM 695 NH2 ARG A 42 6.908 3.729 7.244 1.00 0.00 N ATOM 0 H ARG A 42 1.757 3.609 3.651 1.00 0.00 H new ATOM 0 HA ARG A 42 2.008 5.266 6.061 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.302 5.908 5.432 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.211 4.192 5.777 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.954 3.764 3.284 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.212 5.475 3.005 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.269 3.822 2.881 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.474 5.387 3.643 1.00 0.00 H new ATOM 0 HE ARG A 42 6.414 2.749 4.996 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.222 6.274 5.352 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.660 6.245 7.064 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.981 2.712 7.208 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.091 4.223 8.117 1.00 0.00 H new ATOM 709 N GLU A 43 1.388 7.211 4.674 1.00 0.00 N ATOM 710 CA GLU A 43 0.928 8.341 3.884 1.00 0.00 C ATOM 711 C GLU A 43 1.940 9.486 3.959 1.00 0.00 C ATOM 712 O GLU A 43 2.555 9.710 5.000 1.00 0.00 O ATOM 713 CB GLU A 43 -0.457 8.802 4.341 1.00 0.00 C ATOM 714 CG GLU A 43 -0.427 9.266 5.799 1.00 0.00 C ATOM 715 CD GLU A 43 -0.642 10.778 5.898 1.00 0.00 C ATOM 716 OE1 GLU A 43 0.349 11.507 5.678 1.00 0.00 O ATOM 717 OE2 GLU A 43 -1.792 11.169 6.191 1.00 0.00 O ATOM 0 H GLU A 43 1.259 7.313 5.681 1.00 0.00 H new ATOM 0 HA GLU A 43 0.844 8.023 2.845 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.802 9.616 3.704 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.171 7.986 4.230 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.200 8.747 6.365 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.530 9.001 6.249 1.00 0.00 H new ATOM 724 N ASP A 44 2.080 10.183 2.840 1.00 0.00 N ATOM 725 CA ASP A 44 3.006 11.300 2.765 1.00 0.00 C ATOM 726 C ASP A 44 4.398 10.832 3.196 1.00 0.00 C ATOM 727 O ASP A 44 4.838 11.124 4.307 1.00 0.00 O ATOM 728 CB ASP A 44 2.578 12.434 3.698 1.00 0.00 C ATOM 729 CG ASP A 44 3.402 13.717 3.577 1.00 0.00 C ATOM 730 OD1 ASP A 44 3.182 14.441 2.582 1.00 0.00 O ATOM 731 OD2 ASP A 44 4.234 13.945 4.482 1.00 0.00 O ATOM 0 H ASP A 44 1.567 9.995 1.978 1.00 0.00 H new ATOM 0 HA ASP A 44 3.014 11.663 1.737 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.533 12.672 3.501 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.635 12.079 4.727 1.00 0.00 H new ATOM 736 N PRO A 45 5.069 10.096 2.271 1.00 0.00 N ATOM 737 CA PRO A 45 4.476 9.796 0.979 1.00 0.00 C ATOM 738 C PRO A 45 3.399 8.716 1.108 1.00 0.00 C ATOM 739 O PRO A 45 3.256 8.100 2.163 1.00 0.00 O ATOM 740 CB PRO A 45 5.641 9.371 0.100 1.00 0.00 C ATOM 741 CG PRO A 45 6.768 9.003 1.051 1.00 0.00 C ATOM 742 CD PRO A 45 6.407 9.532 2.429 1.00 0.00 C ATOM 0 HA PRO A 45 3.959 10.651 0.545 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.367 8.523 -0.528 1.00 0.00 H new ATOM 0 HB3 PRO A 45 5.941 10.178 -0.568 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.904 7.922 1.081 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.710 9.434 0.711 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.416 8.736 3.174 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.118 10.288 2.762 1.00 0.00 H new ATOM 750 N ALA A 46 2.670 8.520 0.019 1.00 0.00 N ATOM 751 CA ALA A 46 1.611 7.525 -0.003 1.00 0.00 C ATOM 752 C ALA A 46 2.148 6.228 -0.612 1.00 0.00 C ATOM 753 O ALA A 46 2.176 6.076 -1.832 1.00 0.00 O ATOM 754 CB ALA A 46 0.409 8.077 -0.772 1.00 0.00 C ATOM 0 H ALA A 46 2.792 9.033 -0.854 1.00 0.00 H new ATOM 0 HA ALA A 46 1.275 7.299 1.009 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.386 7.331 -0.789 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.048 8.981 -0.282 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.708 8.312 -1.794 1.00 0.00 H new ATOM 760 N TYR A 47 2.561 5.327 0.267 1.00 0.00 N ATOM 761 CA TYR A 47 3.096 4.048 -0.169 1.00 0.00 C ATOM 762 C TYR A 47 2.657 2.922 0.770 1.00 0.00 C ATOM 763 O TYR A 47 2.217 3.178 1.889 1.00 0.00 O ATOM 764 CB TYR A 47 4.619 4.184 -0.106 1.00 0.00 C ATOM 765 CG TYR A 47 5.252 4.687 -1.405 1.00 0.00 C ATOM 766 CD1 TYR A 47 5.008 4.029 -2.593 1.00 0.00 C ATOM 767 CD2 TYR A 47 6.068 5.800 -1.388 1.00 0.00 C ATOM 768 CE1 TYR A 47 5.604 4.502 -3.815 1.00 0.00 C ATOM 769 CE2 TYR A 47 6.664 6.274 -2.610 1.00 0.00 C ATOM 770 CZ TYR A 47 6.403 5.602 -3.763 1.00 0.00 C ATOM 771 OH TYR A 47 6.966 6.050 -4.917 1.00 0.00 O ATOM 0 H TYR A 47 2.536 5.457 1.278 1.00 0.00 H new ATOM 0 HA TYR A 47 2.739 3.804 -1.170 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.880 4.868 0.702 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.050 3.215 0.145 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.369 3.158 -2.606 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.259 6.315 -0.458 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.421 3.996 -4.751 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.304 7.144 -2.611 1.00 0.00 H new ATOM 0 HH TYR A 47 7.510 6.843 -4.729 1.00 0.00 H new ATOM 781 N LEU A 48 2.794 1.699 0.279 1.00 0.00 N ATOM 782 CA LEU A 48 2.417 0.533 1.060 1.00 0.00 C ATOM 783 C LEU A 48 3.527 -0.516 0.970 1.00 0.00 C ATOM 784 O LEU A 48 3.746 -1.104 -0.088 1.00 0.00 O ATOM 785 CB LEU A 48 1.045 0.015 0.623 1.00 0.00 C ATOM 786 CG LEU A 48 0.676 -1.391 1.098 1.00 0.00 C ATOM 787 CD1 LEU A 48 1.404 -2.456 0.275 1.00 0.00 C ATOM 788 CD2 LEU A 48 0.935 -1.549 2.597 1.00 0.00 C ATOM 0 H LEU A 48 3.161 1.490 -0.650 1.00 0.00 H new ATOM 0 HA LEU A 48 2.312 0.798 2.112 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.285 0.709 0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.003 0.032 -0.466 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.393 -1.536 0.939 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.124 -3.447 0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.126 -2.358 -0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.481 -2.323 0.379 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.664 -2.558 2.909 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.991 -1.377 2.804 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.334 -0.825 3.148 1.00 0.00 H new ATOM 800 N HIS A 49 4.198 -0.719 2.094 1.00 0.00 N ATOM 801 CA HIS A 49 5.280 -1.687 2.156 1.00 0.00 C ATOM 802 C HIS A 49 4.792 -2.959 2.851 1.00 0.00 C ATOM 803 O HIS A 49 3.983 -2.895 3.775 1.00 0.00 O ATOM 804 CB HIS A 49 6.514 -1.081 2.827 1.00 0.00 C ATOM 805 CG HIS A 49 7.283 -0.123 1.949 1.00 0.00 C ATOM 806 ND1 HIS A 49 6.987 1.227 1.873 1.00 0.00 N ATOM 807 CD2 HIS A 49 8.339 -0.333 1.112 1.00 0.00 C ATOM 808 CE1 HIS A 49 7.832 1.794 1.025 1.00 0.00 C ATOM 809 NE2 HIS A 49 8.669 0.825 0.554 1.00 0.00 N ATOM 0 H HIS A 49 4.013 -0.229 2.970 1.00 0.00 H new ATOM 0 HA HIS A 49 5.585 -1.961 1.146 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.203 -0.559 3.732 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.179 -1.887 3.137 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.824 -1.281 0.933 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.854 2.839 0.754 1.00 0.00 H new ATOM 0 HE2 HIS A 49 9.424 0.967 -0.117 1.00 0.00 H new ATOM 817 N TYR A 50 5.303 -4.087 2.378 1.00 0.00 N ATOM 818 CA TYR A 50 4.929 -5.372 2.943 1.00 0.00 C ATOM 819 C TYR A 50 6.156 -6.269 3.126 1.00 0.00 C ATOM 820 O TYR A 50 6.871 -6.551 2.166 1.00 0.00 O ATOM 821 CB TYR A 50 3.986 -6.020 1.928 1.00 0.00 C ATOM 822 CG TYR A 50 4.489 -5.960 0.484 1.00 0.00 C ATOM 823 CD1 TYR A 50 4.253 -4.838 -0.283 1.00 0.00 C ATOM 824 CD2 TYR A 50 5.179 -7.029 -0.051 1.00 0.00 C ATOM 825 CE1 TYR A 50 4.727 -4.781 -1.642 1.00 0.00 C ATOM 826 CE2 TYR A 50 5.652 -6.973 -1.410 1.00 0.00 C ATOM 827 CZ TYR A 50 5.403 -5.852 -2.138 1.00 0.00 C ATOM 828 OH TYR A 50 5.850 -5.799 -3.421 1.00 0.00 O ATOM 0 H TYR A 50 5.973 -4.137 1.610 1.00 0.00 H new ATOM 0 HA TYR A 50 4.465 -5.241 3.921 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.832 -7.063 2.205 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.015 -5.528 1.984 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.713 -4.002 0.136 1.00 0.00 H new ATOM 0 HD2 TYR A 50 5.364 -7.907 0.550 1.00 0.00 H new ATOM 0 HE1 TYR A 50 4.550 -3.908 -2.253 1.00 0.00 H new ATOM 0 HE2 TYR A 50 6.192 -7.803 -1.841 1.00 0.00 H new ATOM 0 HH TYR A 50 6.316 -6.633 -3.640 1.00 0.00 H new ATOM 838 N TYR A 51 6.361 -6.690 4.365 1.00 0.00 N ATOM 839 CA TYR A 51 7.489 -7.549 4.685 1.00 0.00 C ATOM 840 C TYR A 51 7.020 -8.965 5.028 1.00 0.00 C ATOM 841 O TYR A 51 5.862 -9.169 5.389 1.00 0.00 O ATOM 842 CB TYR A 51 8.152 -6.932 5.919 1.00 0.00 C ATOM 843 CG TYR A 51 8.361 -5.419 5.821 1.00 0.00 C ATOM 844 CD1 TYR A 51 7.318 -4.559 6.095 1.00 0.00 C ATOM 845 CD2 TYR A 51 9.594 -4.915 5.458 1.00 0.00 C ATOM 846 CE1 TYR A 51 7.515 -3.135 6.003 1.00 0.00 C ATOM 847 CE2 TYR A 51 9.791 -3.492 5.366 1.00 0.00 C ATOM 848 CZ TYR A 51 8.742 -2.672 5.643 1.00 0.00 C ATOM 849 OH TYR A 51 8.928 -1.328 5.556 1.00 0.00 O ATOM 0 H TYR A 51 5.766 -6.453 5.159 1.00 0.00 H new ATOM 0 HA TYR A 51 8.169 -7.621 3.836 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.540 -7.148 6.794 1.00 0.00 H new ATOM 0 HB3 TYR A 51 9.117 -7.412 6.079 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.353 -4.953 6.379 1.00 0.00 H new ATOM 0 HD2 TYR A 51 10.411 -5.588 5.243 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.707 -2.451 6.215 1.00 0.00 H new ATOM 0 HE2 TYR A 51 10.750 -3.085 5.083 1.00 0.00 H new ATOM 0 HH TYR A 51 9.853 -1.142 5.290 1.00 0.00 H new ATOM 859 N ASP A 52 7.944 -9.906 4.902 1.00 0.00 N ATOM 860 CA ASP A 52 7.640 -11.296 5.194 1.00 0.00 C ATOM 861 C ASP A 52 7.401 -11.457 6.697 1.00 0.00 C ATOM 862 O ASP A 52 8.099 -10.853 7.508 1.00 0.00 O ATOM 863 CB ASP A 52 8.804 -12.209 4.801 1.00 0.00 C ATOM 864 CG ASP A 52 8.545 -13.705 4.989 1.00 0.00 C ATOM 865 OD1 ASP A 52 8.415 -14.115 6.163 1.00 0.00 O ATOM 866 OD2 ASP A 52 8.482 -14.405 3.956 1.00 0.00 O ATOM 0 H ASP A 52 8.903 -9.733 4.602 1.00 0.00 H new ATOM 0 HA ASP A 52 6.754 -11.574 4.623 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.051 -12.027 3.755 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.679 -11.930 5.389 1.00 0.00 H new ATOM 871 N PRO A 53 6.384 -12.297 7.030 1.00 0.00 N ATOM 872 CA PRO A 53 6.043 -12.545 8.420 1.00 0.00 C ATOM 873 C PRO A 53 7.069 -13.469 9.080 1.00 0.00 C ATOM 874 O PRO A 53 7.581 -13.167 10.157 1.00 0.00 O ATOM 875 CB PRO A 53 4.645 -13.140 8.383 1.00 0.00 C ATOM 876 CG PRO A 53 4.440 -13.633 6.960 1.00 0.00 C ATOM 877 CD PRO A 53 5.535 -13.030 6.095 1.00 0.00 C ATOM 0 HA PRO A 53 6.059 -11.638 9.025 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.549 -13.958 9.097 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.896 -12.394 8.650 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.481 -14.722 6.924 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.457 -13.339 6.592 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.098 -13.803 5.572 1.00 0.00 H new ATOM 0 HD3 PRO A 53 5.120 -12.368 5.335 1.00 0.00 H new ATOM 885 N ALA A 54 7.339 -14.578 8.406 1.00 0.00 N ATOM 886 CA ALA A 54 8.294 -15.548 8.913 1.00 0.00 C ATOM 887 C ALA A 54 9.534 -14.815 9.429 1.00 0.00 C ATOM 888 O ALA A 54 10.197 -15.284 10.352 1.00 0.00 O ATOM 889 CB ALA A 54 8.629 -16.557 7.813 1.00 0.00 C ATOM 0 H ALA A 54 6.913 -14.826 7.513 1.00 0.00 H new ATOM 0 HA ALA A 54 7.869 -16.105 9.748 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.346 -17.285 8.193 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.720 -17.071 7.502 1.00 0.00 H new ATOM 0 HB3 ALA A 54 9.061 -16.035 6.959 1.00 0.00 H new ATOM 895 N GLY A 55 9.809 -13.676 8.810 1.00 0.00 N ATOM 896 CA GLY A 55 10.958 -12.874 9.195 1.00 0.00 C ATOM 897 C GLY A 55 11.682 -12.327 7.963 1.00 0.00 C ATOM 898 O GLY A 55 11.798 -13.015 6.950 1.00 0.00 O ATOM 0 H GLY A 55 9.256 -13.290 8.045 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.634 -12.048 9.827 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.646 -13.478 9.787 1.00 0.00 H new ATOM 902 N ALA A 56 12.152 -11.095 8.091 1.00 0.00 N ATOM 903 CA ALA A 56 12.862 -10.448 7.001 1.00 0.00 C ATOM 904 C ALA A 56 13.502 -9.155 7.510 1.00 0.00 C ATOM 905 O ALA A 56 13.416 -8.842 8.697 1.00 0.00 O ATOM 906 CB ALA A 56 11.899 -10.203 5.838 1.00 0.00 C ATOM 0 H ALA A 56 12.055 -10.528 8.933 1.00 0.00 H new ATOM 0 HA ALA A 56 13.663 -11.089 6.632 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.432 -9.718 5.020 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.495 -11.155 5.493 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.083 -9.562 6.170 1.00 0.00 H new ATOM 912 N GLU A 57 14.129 -8.439 6.589 1.00 0.00 N ATOM 913 CA GLU A 57 14.782 -7.187 6.930 1.00 0.00 C ATOM 914 C GLU A 57 14.184 -6.037 6.118 1.00 0.00 C ATOM 915 O GLU A 57 13.593 -5.117 6.681 1.00 0.00 O ATOM 916 CB GLU A 57 16.294 -7.281 6.715 1.00 0.00 C ATOM 917 CG GLU A 57 17.005 -6.044 7.266 1.00 0.00 C ATOM 918 CD GLU A 57 18.373 -5.858 6.607 1.00 0.00 C ATOM 919 OE1 GLU A 57 18.411 -5.177 5.560 1.00 0.00 O ATOM 920 OE2 GLU A 57 19.350 -6.402 7.166 1.00 0.00 O ATOM 0 H GLU A 57 14.199 -8.702 5.606 1.00 0.00 H new ATOM 0 HA GLU A 57 14.610 -6.987 7.988 1.00 0.00 H new ATOM 0 HB2 GLU A 57 16.680 -8.175 7.205 1.00 0.00 H new ATOM 0 HB3 GLU A 57 16.508 -7.384 5.651 1.00 0.00 H new ATOM 0 HG2 GLU A 57 16.391 -5.160 7.093 1.00 0.00 H new ATOM 0 HG3 GLU A 57 17.127 -6.141 8.345 1.00 0.00 H new ATOM 927 N ASP A 58 14.358 -6.127 4.808 1.00 0.00 N ATOM 928 CA ASP A 58 13.842 -5.105 3.912 1.00 0.00 C ATOM 929 C ASP A 58 12.458 -5.522 3.413 1.00 0.00 C ATOM 930 O ASP A 58 12.088 -6.692 3.503 1.00 0.00 O ATOM 931 CB ASP A 58 14.751 -4.931 2.694 1.00 0.00 C ATOM 932 CG ASP A 58 15.910 -3.950 2.887 1.00 0.00 C ATOM 933 OD1 ASP A 58 15.952 -3.328 3.970 1.00 0.00 O ATOM 934 OD2 ASP A 58 16.726 -3.844 1.946 1.00 0.00 O ATOM 0 H ASP A 58 14.849 -6.892 4.345 1.00 0.00 H new ATOM 0 HA ASP A 58 13.794 -4.166 4.463 1.00 0.00 H new ATOM 0 HB2 ASP A 58 15.160 -5.904 2.423 1.00 0.00 H new ATOM 0 HB3 ASP A 58 14.146 -4.594 1.853 1.00 0.00 H new ATOM 939 N PRO A 59 11.710 -4.517 2.884 1.00 0.00 N ATOM 940 CA PRO A 59 10.374 -4.767 2.370 1.00 0.00 C ATOM 941 C PRO A 59 10.432 -5.482 1.019 1.00 0.00 C ATOM 942 O PRO A 59 11.121 -5.033 0.104 1.00 0.00 O ATOM 943 CB PRO A 59 9.720 -3.398 2.291 1.00 0.00 C ATOM 944 CG PRO A 59 10.858 -2.390 2.319 1.00 0.00 C ATOM 945 CD PRO A 59 12.116 -3.119 2.762 1.00 0.00 C ATOM 0 HA PRO A 59 9.795 -5.433 3.009 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.132 -3.298 1.379 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.039 -3.242 3.128 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.000 -1.948 1.333 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.628 -1.574 3.004 1.00 0.00 H new ATOM 0 HD2 PRO A 59 12.919 -3.002 2.034 1.00 0.00 H new ATOM 0 HD3 PRO A 59 12.486 -2.730 3.710 1.00 0.00 H new ATOM 953 N LEU A 60 9.698 -6.582 0.936 1.00 0.00 N ATOM 954 CA LEU A 60 9.657 -7.363 -0.289 1.00 0.00 C ATOM 955 C LEU A 60 9.434 -6.427 -1.478 1.00 0.00 C ATOM 956 O LEU A 60 9.900 -6.701 -2.584 1.00 0.00 O ATOM 957 CB LEU A 60 8.614 -8.477 -0.179 1.00 0.00 C ATOM 958 CG LEU A 60 8.895 -9.559 0.867 1.00 0.00 C ATOM 959 CD1 LEU A 60 7.695 -9.747 1.797 1.00 0.00 C ATOM 960 CD2 LEU A 60 9.316 -10.870 0.200 1.00 0.00 C ATOM 0 H LEU A 60 9.127 -6.951 1.697 1.00 0.00 H new ATOM 0 HA LEU A 60 10.610 -7.865 -0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.649 -8.023 0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.520 -8.957 -1.153 1.00 0.00 H new ATOM 0 HG LEU A 60 9.731 -9.230 1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.921 -10.521 2.530 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.483 -8.810 2.312 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.824 -10.044 1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.510 -11.622 0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.518 -11.217 -0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.221 -10.706 -0.385 1.00 0.00 H new ATOM 972 N GLY A 61 8.722 -5.342 -1.211 1.00 0.00 N ATOM 973 CA GLY A 61 8.432 -4.365 -2.246 1.00 0.00 C ATOM 974 C GLY A 61 7.573 -3.224 -1.697 1.00 0.00 C ATOM 975 O GLY A 61 7.489 -3.034 -0.484 1.00 0.00 O ATOM 0 H GLY A 61 8.338 -5.118 -0.293 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.364 -3.964 -2.644 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.914 -4.849 -3.074 1.00 0.00 H new ATOM 979 N ALA A 62 6.958 -2.494 -2.615 1.00 0.00 N ATOM 980 CA ALA A 62 6.109 -1.376 -2.238 1.00 0.00 C ATOM 981 C ALA A 62 5.102 -1.105 -3.358 1.00 0.00 C ATOM 982 O ALA A 62 5.375 -1.387 -4.524 1.00 0.00 O ATOM 983 CB ALA A 62 6.978 -0.157 -1.927 1.00 0.00 C ATOM 0 H ALA A 62 7.030 -2.655 -3.620 1.00 0.00 H new ATOM 0 HA ALA A 62 5.543 -1.611 -1.336 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.341 0.681 -1.644 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.654 -0.392 -1.105 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.559 0.110 -2.810 1.00 0.00 H new ATOM 989 N ILE A 63 3.960 -0.560 -2.965 1.00 0.00 N ATOM 990 CA ILE A 63 2.912 -0.248 -3.922 1.00 0.00 C ATOM 991 C ILE A 63 2.669 1.263 -3.929 1.00 0.00 C ATOM 992 O ILE A 63 2.238 1.831 -2.927 1.00 0.00 O ATOM 993 CB ILE A 63 1.657 -1.072 -3.630 1.00 0.00 C ATOM 994 CG1 ILE A 63 2.015 -2.529 -3.332 1.00 0.00 C ATOM 995 CG2 ILE A 63 0.644 -0.952 -4.770 1.00 0.00 C ATOM 996 CD1 ILE A 63 0.824 -3.273 -2.724 1.00 0.00 C ATOM 0 H ILE A 63 3.738 -0.327 -1.997 1.00 0.00 H new ATOM 0 HA ILE A 63 3.220 -0.527 -4.930 1.00 0.00 H new ATOM 0 HB ILE A 63 1.184 -0.667 -2.735 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.328 -3.025 -4.250 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.861 -2.566 -2.645 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.239 -1.548 -4.537 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.355 0.092 -4.892 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.092 -1.315 -5.695 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.105 -4.306 -2.522 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.529 -2.788 -1.793 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.012 -3.255 -3.423 1.00 0.00 H new ATOM 1008 N HIS A 64 2.955 1.871 -5.071 1.00 0.00 N ATOM 1009 CA HIS A 64 2.772 3.304 -5.222 1.00 0.00 C ATOM 1010 C HIS A 64 1.287 3.649 -5.090 1.00 0.00 C ATOM 1011 O HIS A 64 0.445 3.051 -5.758 1.00 0.00 O ATOM 1012 CB HIS A 64 3.379 3.794 -6.539 1.00 0.00 C ATOM 1013 CG HIS A 64 3.819 5.238 -6.512 1.00 0.00 C ATOM 1014 ND1 HIS A 64 3.942 6.114 -5.474 1.00 0.00 N flip ATOM 1015 CD2 HIS A 64 4.192 5.929 -7.652 1.00 0.00 C flip ATOM 1016 CE1 HIS A 64 4.367 7.276 -5.953 1.00 0.00 C flip ATOM 1017 NE2 HIS A 64 4.522 7.164 -7.304 1.00 0.00 N flip ATOM 0 H HIS A 64 3.312 1.397 -5.900 1.00 0.00 H new ATOM 0 HA HIS A 64 3.303 3.827 -4.427 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.236 3.168 -6.787 1.00 0.00 H new ATOM 0 HB3 HIS A 64 2.647 3.663 -7.336 1.00 0.00 H new ATOM 0 HD1 HIS A 64 3.741 5.910 -4.495 1.00 0.00 H new ATOM 0 HD2 HIS A 64 4.211 5.529 -8.655 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.559 8.164 -5.370 1.00 0.00 H new ATOM 1025 N LEU A 65 1.011 4.613 -4.224 1.00 0.00 N ATOM 1026 CA LEU A 65 -0.357 5.044 -3.995 1.00 0.00 C ATOM 1027 C LEU A 65 -0.575 6.405 -4.659 1.00 0.00 C ATOM 1028 O LEU A 65 -1.541 7.103 -4.351 1.00 0.00 O ATOM 1029 CB LEU A 65 -0.681 5.031 -2.500 1.00 0.00 C ATOM 1030 CG LEU A 65 -0.417 3.713 -1.769 1.00 0.00 C ATOM 1031 CD1 LEU A 65 -0.441 3.913 -0.252 1.00 0.00 C ATOM 1032 CD2 LEU A 65 -1.398 2.629 -2.220 1.00 0.00 C ATOM 0 H LEU A 65 1.712 5.108 -3.672 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.058 4.347 -4.455 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.100 5.815 -2.015 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.732 5.289 -2.374 1.00 0.00 H new ATOM 0 HG LEU A 65 0.584 3.371 -2.033 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.251 2.961 0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.329 4.631 0.033 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.418 4.290 0.050 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.188 1.703 -1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.418 2.949 -2.005 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.288 2.462 -3.291 1.00 0.00 H new ATOM 1044 N ARG A 66 0.338 6.743 -5.558 1.00 0.00 N ATOM 1045 CA ARG A 66 0.257 8.008 -6.268 1.00 0.00 C ATOM 1046 C ARG A 66 -0.902 7.984 -7.266 1.00 0.00 C ATOM 1047 O ARG A 66 -0.714 7.644 -8.433 1.00 0.00 O ATOM 1048 CB ARG A 66 1.558 8.304 -7.016 1.00 0.00 C ATOM 1049 CG ARG A 66 2.263 9.528 -6.427 1.00 0.00 C ATOM 1050 CD ARG A 66 2.142 10.733 -7.361 1.00 0.00 C ATOM 1051 NE ARG A 66 3.452 11.412 -7.484 1.00 0.00 N ATOM 1052 CZ ARG A 66 3.623 12.617 -8.043 1.00 0.00 C ATOM 1053 NH1 ARG A 66 2.570 13.284 -8.534 1.00 0.00 N ATOM 1054 NH2 ARG A 66 4.848 13.156 -8.111 1.00 0.00 N ATOM 0 H ARG A 66 1.138 6.163 -5.811 1.00 0.00 H new ATOM 0 HA ARG A 66 0.089 8.792 -5.529 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.218 7.438 -6.961 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.344 8.476 -8.071 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.829 9.770 -5.457 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.315 9.299 -6.257 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.797 10.409 -8.343 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.397 11.429 -6.975 1.00 0.00 H new ATOM 0 HE ARG A 66 4.275 10.932 -7.120 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.637 12.874 -8.482 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.701 14.202 -8.960 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.650 12.649 -7.737 1.00 0.00 H new ATOM 0 HH22 ARG A 66 4.978 14.074 -8.537 1.00 0.00 H new ATOM 1068 N GLY A 67 -2.076 8.348 -6.770 1.00 0.00 N ATOM 1069 CA GLY A 67 -3.266 8.372 -7.604 1.00 0.00 C ATOM 1070 C GLY A 67 -3.860 6.970 -7.753 1.00 0.00 C ATOM 1071 O GLY A 67 -4.617 6.708 -8.686 1.00 0.00 O ATOM 0 H GLY A 67 -2.228 8.629 -5.801 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.008 9.040 -7.166 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.017 8.772 -8.587 1.00 0.00 H new ATOM 1075 N CYS A 68 -3.493 6.105 -6.819 1.00 0.00 N ATOM 1076 CA CYS A 68 -3.980 4.736 -6.834 1.00 0.00 C ATOM 1077 C CYS A 68 -5.504 4.767 -6.705 1.00 0.00 C ATOM 1078 O CYS A 68 -6.096 5.834 -6.552 1.00 0.00 O ATOM 1079 CB CYS A 68 -3.331 3.892 -5.735 1.00 0.00 C ATOM 1080 SG CYS A 68 -3.573 4.692 -4.107 1.00 0.00 S ATOM 0 H CYS A 68 -2.864 6.326 -6.047 1.00 0.00 H new ATOM 0 HA CYS A 68 -3.706 4.260 -7.775 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.767 2.893 -5.727 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -2.266 3.774 -5.937 1.00 0.00 H new ATOM 0 HG CYS A 68 -2.896 5.801 -4.064 1.00 0.00 H new ATOM 1086 N VAL A 69 -6.096 3.583 -6.771 1.00 0.00 N ATOM 1087 CA VAL A 69 -7.540 3.461 -6.664 1.00 0.00 C ATOM 1088 C VAL A 69 -7.881 2.307 -5.720 1.00 0.00 C ATOM 1089 O VAL A 69 -7.230 1.263 -5.749 1.00 0.00 O ATOM 1090 CB VAL A 69 -8.157 3.298 -8.054 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -9.685 3.293 -7.979 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -7.658 4.388 -9.006 1.00 0.00 C ATOM 0 H VAL A 69 -5.602 2.700 -6.897 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.969 4.368 -6.238 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.839 2.334 -8.451 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -10.098 3.176 -8.981 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -10.016 2.466 -7.351 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -10.031 4.234 -7.552 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.112 4.249 -9.987 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.933 5.367 -8.614 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.574 4.325 -9.095 1.00 0.00 H new ATOM 1102 N VAL A 70 -8.901 2.532 -4.904 1.00 0.00 N ATOM 1103 CA VAL A 70 -9.336 1.524 -3.953 1.00 0.00 C ATOM 1104 C VAL A 70 -10.702 0.982 -4.381 1.00 0.00 C ATOM 1105 O VAL A 70 -11.569 1.742 -4.808 1.00 0.00 O ATOM 1106 CB VAL A 70 -9.340 2.106 -2.538 1.00 0.00 C ATOM 1107 CG1 VAL A 70 -10.141 1.219 -1.583 1.00 0.00 C ATOM 1108 CG2 VAL A 70 -7.913 2.314 -2.027 1.00 0.00 C ATOM 0 H VAL A 70 -9.439 3.399 -4.882 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.641 0.684 -3.942 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.827 3.080 -2.578 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -10.128 1.655 -0.584 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -11.171 1.144 -1.933 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.696 0.225 -1.550 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.944 2.729 -1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.390 1.358 -2.010 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.387 3.004 -2.687 1.00 0.00 H new ATOM 1118 N THR A 71 -10.850 -0.329 -4.250 1.00 0.00 N ATOM 1119 CA THR A 71 -12.095 -0.981 -4.617 1.00 0.00 C ATOM 1120 C THR A 71 -12.223 -2.327 -3.902 1.00 0.00 C ATOM 1121 O THR A 71 -11.261 -2.812 -3.307 1.00 0.00 O ATOM 1122 CB THR A 71 -12.136 -1.097 -6.142 1.00 0.00 C ATOM 1123 OG1 THR A 71 -13.515 -0.943 -6.465 1.00 0.00 O ATOM 1124 CG2 THR A 71 -11.794 -2.506 -6.632 1.00 0.00 C ATOM 0 H THR A 71 -10.128 -0.956 -3.895 1.00 0.00 H new ATOM 0 HA THR A 71 -12.957 -0.396 -4.298 1.00 0.00 H new ATOM 0 HB THR A 71 -11.439 -0.382 -6.579 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.632 -1.003 -7.436 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.838 -2.533 -7.721 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.790 -2.772 -6.302 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.511 -3.218 -6.222 1.00 0.00 H new ATOM 1132 N SER A 72 -13.418 -2.893 -3.983 1.00 0.00 N ATOM 1133 CA SER A 72 -13.684 -4.174 -3.350 1.00 0.00 C ATOM 1134 C SER A 72 -13.827 -5.264 -4.415 1.00 0.00 C ATOM 1135 O SER A 72 -14.037 -4.965 -5.589 1.00 0.00 O ATOM 1136 CB SER A 72 -14.944 -4.110 -2.484 1.00 0.00 C ATOM 1137 OG SER A 72 -15.507 -2.801 -2.458 1.00 0.00 O ATOM 0 H SER A 72 -14.213 -2.488 -4.477 1.00 0.00 H new ATOM 0 HA SER A 72 -12.842 -4.416 -2.701 1.00 0.00 H new ATOM 0 HB2 SER A 72 -15.683 -4.815 -2.866 1.00 0.00 H new ATOM 0 HB3 SER A 72 -14.702 -4.421 -1.468 1.00 0.00 H new ATOM 0 HG SER A 72 -16.310 -2.801 -1.897 1.00 0.00 H new ATOM 1143 N VAL A 73 -13.707 -6.504 -3.965 1.00 0.00 N ATOM 1144 CA VAL A 73 -13.820 -7.640 -4.865 1.00 0.00 C ATOM 1145 C VAL A 73 -15.281 -8.091 -4.929 1.00 0.00 C ATOM 1146 O VAL A 73 -16.174 -7.381 -4.469 1.00 0.00 O ATOM 1147 CB VAL A 73 -12.869 -8.754 -4.423 1.00 0.00 C ATOM 1148 CG1 VAL A 73 -11.439 -8.229 -4.279 1.00 0.00 C ATOM 1149 CG2 VAL A 73 -13.349 -9.401 -3.122 1.00 0.00 C ATOM 0 H VAL A 73 -13.533 -6.747 -2.990 1.00 0.00 H new ATOM 0 HA VAL A 73 -13.522 -7.359 -5.875 1.00 0.00 H new ATOM 0 HB VAL A 73 -12.868 -9.521 -5.198 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -10.783 -9.041 -3.964 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.097 -7.837 -5.237 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.417 -7.434 -3.533 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -12.655 -10.189 -2.830 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -13.393 -8.647 -2.336 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -14.341 -9.828 -3.272 1.00 0.00 H new ATOM 1159 N GLU A 74 -15.478 -9.269 -5.503 1.00 0.00 N ATOM 1160 CA GLU A 74 -16.815 -9.823 -5.633 1.00 0.00 C ATOM 1161 C GLU A 74 -16.756 -11.351 -5.662 1.00 0.00 C ATOM 1162 O GLU A 74 -17.669 -12.002 -6.167 1.00 0.00 O ATOM 1163 CB GLU A 74 -17.516 -9.278 -6.879 1.00 0.00 C ATOM 1164 CG GLU A 74 -16.950 -9.915 -8.149 1.00 0.00 C ATOM 1165 CD GLU A 74 -16.894 -8.902 -9.294 1.00 0.00 C ATOM 1166 OE1 GLU A 74 -17.968 -8.350 -9.616 1.00 0.00 O ATOM 1167 OE2 GLU A 74 -15.778 -8.702 -9.821 1.00 0.00 O ATOM 0 H GLU A 74 -14.734 -9.855 -5.883 1.00 0.00 H new ATOM 0 HA GLU A 74 -17.399 -9.518 -4.765 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -18.586 -9.476 -6.814 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -17.394 -8.196 -6.925 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -15.950 -10.301 -7.952 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.568 -10.764 -8.440 1.00 0.00 H new ATOM 1174 N SER A 75 -15.672 -11.880 -5.112 1.00 0.00 N ATOM 1175 CA SER A 75 -15.482 -13.320 -5.069 1.00 0.00 C ATOM 1176 C SER A 75 -16.807 -14.013 -4.747 1.00 0.00 C ATOM 1177 O SER A 75 -17.390 -14.674 -5.604 1.00 0.00 O ATOM 1178 CB SER A 75 -14.418 -13.704 -4.038 1.00 0.00 C ATOM 1179 OG SER A 75 -13.114 -13.289 -4.437 1.00 0.00 O ATOM 0 H SER A 75 -14.917 -11.337 -4.693 1.00 0.00 H new ATOM 0 HA SER A 75 -15.136 -13.649 -6.049 1.00 0.00 H new ATOM 0 HB2 SER A 75 -14.664 -13.252 -3.077 1.00 0.00 H new ATOM 0 HB3 SER A 75 -14.426 -14.784 -3.893 1.00 0.00 H new ATOM 0 HG SER A 75 -12.465 -13.987 -4.210 1.00 0.00 H new ATOM 1185 N ASN A 76 -17.244 -13.839 -3.508 1.00 0.00 N ATOM 1186 CA ASN A 76 -18.490 -14.439 -3.062 1.00 0.00 C ATOM 1187 C ASN A 76 -18.661 -14.194 -1.562 1.00 0.00 C ATOM 1188 O ASN A 76 -17.686 -14.204 -0.812 1.00 0.00 O ATOM 1189 CB ASN A 76 -18.487 -15.951 -3.296 1.00 0.00 C ATOM 1190 CG ASN A 76 -19.526 -16.346 -4.347 1.00 0.00 C ATOM 1191 OD1 ASN A 76 -19.051 -17.131 -5.310 1.00 0.00 O flip ATOM 1192 ND2 ASN A 76 -20.683 -15.963 -4.288 1.00 0.00 N flip ATOM 0 H ASN A 76 -16.757 -13.291 -2.799 1.00 0.00 H new ATOM 0 HA ASN A 76 -19.304 -13.987 -3.629 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -17.497 -16.270 -3.621 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -18.697 -16.468 -2.360 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -20.982 -15.361 -3.521 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -21.351 -16.245 -5.006 1.00 0.00 H new ATOM 1199 N SER A 77 -19.908 -13.979 -1.168 1.00 0.00 N ATOM 1200 CA SER A 77 -20.220 -13.730 0.229 1.00 0.00 C ATOM 1201 C SER A 77 -21.731 -13.579 0.409 1.00 0.00 C ATOM 1202 O SER A 77 -22.243 -12.462 0.479 1.00 0.00 O ATOM 1203 CB SER A 77 -19.496 -12.484 0.742 1.00 0.00 C ATOM 1204 OG SER A 77 -19.762 -12.241 2.120 1.00 0.00 O ATOM 0 H SER A 77 -20.714 -13.972 -1.793 1.00 0.00 H new ATOM 0 HA SER A 77 -19.875 -14.583 0.813 1.00 0.00 H new ATOM 0 HB2 SER A 77 -18.422 -12.603 0.596 1.00 0.00 H new ATOM 0 HB3 SER A 77 -19.804 -11.619 0.155 1.00 0.00 H new ATOM 0 HG SER A 77 -19.280 -11.438 2.409 1.00 0.00 H new ATOM 1210 N ASN A 78 -22.404 -14.718 0.478 1.00 0.00 N ATOM 1211 CA ASN A 78 -23.847 -14.726 0.649 1.00 0.00 C ATOM 1212 C ASN A 78 -24.338 -16.172 0.742 1.00 0.00 C ATOM 1213 O ASN A 78 -24.860 -16.589 1.774 1.00 0.00 O ATOM 1214 CB ASN A 78 -24.546 -14.065 -0.541 1.00 0.00 C ATOM 1215 CG ASN A 78 -25.280 -12.794 -0.110 1.00 0.00 C ATOM 1216 OD1 ASN A 78 -25.086 -12.273 0.976 1.00 0.00 O ATOM 1217 ND2 ASN A 78 -26.132 -12.327 -1.018 1.00 0.00 N ATOM 0 H ASN A 78 -21.977 -15.642 0.419 1.00 0.00 H new ATOM 0 HA ASN A 78 -24.082 -14.173 1.558 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -23.812 -13.822 -1.309 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -25.254 -14.765 -0.986 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -26.671 -11.483 -0.825 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -26.246 -12.813 -1.908 1.00 0.00 H new ATOM 1224 N GLY A 79 -24.152 -16.898 -0.351 1.00 0.00 N ATOM 1225 CA GLY A 79 -24.569 -18.289 -0.406 1.00 0.00 C ATOM 1226 C GLY A 79 -23.358 -19.223 -0.451 1.00 0.00 C ATOM 1227 O GLY A 79 -23.350 -20.267 0.199 1.00 0.00 O ATOM 0 H GLY A 79 -23.718 -16.549 -1.206 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -25.181 -18.523 0.465 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -25.191 -18.451 -1.286 1.00 0.00 H new ATOM 1231 N ARG A 80 -22.364 -18.814 -1.226 1.00 0.00 N ATOM 1232 CA ARG A 80 -21.151 -19.601 -1.364 1.00 0.00 C ATOM 1233 C ARG A 80 -20.619 -20.003 0.013 1.00 0.00 C ATOM 1234 O ARG A 80 -20.641 -19.204 0.948 1.00 0.00 O ATOM 1235 CB ARG A 80 -20.069 -18.819 -2.113 1.00 0.00 C ATOM 1236 CG ARG A 80 -18.862 -19.708 -2.418 1.00 0.00 C ATOM 1237 CD ARG A 80 -18.687 -19.894 -3.927 1.00 0.00 C ATOM 1238 NE ARG A 80 -18.216 -21.267 -4.216 1.00 0.00 N ATOM 1239 CZ ARG A 80 -17.936 -21.722 -5.445 1.00 0.00 C ATOM 1240 NH1 ARG A 80 -18.077 -20.916 -6.506 1.00 0.00 N ATOM 1241 NH2 ARG A 80 -17.514 -22.983 -5.613 1.00 0.00 N ATOM 0 H ARG A 80 -22.374 -17.948 -1.765 1.00 0.00 H new ATOM 0 HA ARG A 80 -21.399 -20.495 -1.936 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -20.479 -18.424 -3.043 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -19.754 -17.964 -1.515 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -17.961 -19.262 -1.996 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -18.991 -20.679 -1.941 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -19.633 -19.710 -4.437 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -17.972 -19.167 -4.311 1.00 0.00 H new ATOM 0 HE ARG A 80 -18.097 -21.907 -3.431 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -18.397 -19.956 -6.378 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -17.864 -21.262 -7.441 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -17.406 -23.597 -4.805 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -17.301 -23.329 -6.549 1.00 0.00 H new ATOM 1255 N LYS A 81 -20.153 -21.241 0.094 1.00 0.00 N ATOM 1256 CA LYS A 81 -19.616 -21.758 1.341 1.00 0.00 C ATOM 1257 C LYS A 81 -18.221 -21.173 1.572 1.00 0.00 C ATOM 1258 O LYS A 81 -17.814 -20.238 0.885 1.00 0.00 O ATOM 1259 CB LYS A 81 -19.650 -23.288 1.345 1.00 0.00 C ATOM 1260 CG LYS A 81 -20.599 -23.813 2.424 1.00 0.00 C ATOM 1261 CD LYS A 81 -20.006 -25.035 3.128 1.00 0.00 C ATOM 1262 CE LYS A 81 -19.621 -24.703 4.571 1.00 0.00 C ATOM 1263 NZ LYS A 81 -20.096 -25.761 5.491 1.00 0.00 N ATOM 0 H LYS A 81 -20.136 -21.901 -0.684 1.00 0.00 H new ATOM 0 HA LYS A 81 -20.236 -21.446 2.182 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -19.969 -23.651 0.368 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -18.647 -23.677 1.518 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -20.795 -23.028 3.154 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -21.556 -24.077 1.974 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -20.729 -25.851 3.119 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -19.127 -25.382 2.584 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -18.539 -24.603 4.651 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -20.052 -23.744 4.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -19.826 -25.520 6.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -21.131 -25.838 5.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -19.665 -26.670 5.227 1.00 0.00 H new ATOM 1277 N SER A 82 -17.527 -21.748 2.543 1.00 0.00 N ATOM 1278 CA SER A 82 -16.187 -21.296 2.874 1.00 0.00 C ATOM 1279 C SER A 82 -15.271 -21.436 1.656 1.00 0.00 C ATOM 1280 O SER A 82 -15.030 -22.544 1.182 1.00 0.00 O ATOM 1281 CB SER A 82 -15.618 -22.079 4.059 1.00 0.00 C ATOM 1282 OG SER A 82 -15.007 -21.223 5.021 1.00 0.00 O ATOM 0 H SER A 82 -17.868 -22.523 3.111 1.00 0.00 H new ATOM 0 HA SER A 82 -16.242 -20.246 3.160 1.00 0.00 H new ATOM 0 HB2 SER A 82 -16.417 -22.647 4.535 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.885 -22.800 3.698 1.00 0.00 H new ATOM 0 HG SER A 82 -14.658 -21.761 5.762 1.00 0.00 H new ATOM 1288 N GLU A 83 -14.787 -20.296 1.186 1.00 0.00 N ATOM 1289 CA GLU A 83 -13.904 -20.278 0.032 1.00 0.00 C ATOM 1290 C GLU A 83 -12.977 -19.061 0.092 1.00 0.00 C ATOM 1291 O GLU A 83 -11.762 -19.195 -0.042 1.00 0.00 O ATOM 1292 CB GLU A 83 -14.704 -20.294 -1.271 1.00 0.00 C ATOM 1293 CG GLU A 83 -15.526 -21.578 -1.395 1.00 0.00 C ATOM 1294 CD GLU A 83 -14.616 -22.806 -1.471 1.00 0.00 C ATOM 1295 OE1 GLU A 83 -13.494 -22.649 -1.999 1.00 0.00 O ATOM 1296 OE2 GLU A 83 -15.063 -23.874 -1.000 1.00 0.00 O ATOM 0 H GLU A 83 -14.989 -19.378 1.583 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.291 -21.179 0.054 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -15.367 -19.429 -1.305 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.025 -20.209 -2.120 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -16.196 -21.669 -0.540 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -16.152 -21.529 -2.286 1.00 0.00 H new ATOM 1303 N GLU A 84 -13.587 -17.903 0.294 1.00 0.00 N ATOM 1304 CA GLU A 84 -12.832 -16.664 0.374 1.00 0.00 C ATOM 1305 C GLU A 84 -13.518 -15.685 1.329 1.00 0.00 C ATOM 1306 O GLU A 84 -14.717 -15.438 1.215 1.00 0.00 O ATOM 1307 CB GLU A 84 -12.652 -16.041 -1.012 1.00 0.00 C ATOM 1308 CG GLU A 84 -11.623 -16.820 -1.834 1.00 0.00 C ATOM 1309 CD GLU A 84 -10.291 -16.923 -1.088 1.00 0.00 C ATOM 1310 OE1 GLU A 84 -9.870 -15.885 -0.533 1.00 0.00 O ATOM 1311 OE2 GLU A 84 -9.724 -18.037 -1.090 1.00 0.00 O ATOM 0 H GLU A 84 -14.595 -17.796 0.405 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.841 -16.891 0.766 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.608 -16.029 -1.536 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.331 -15.004 -0.910 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.003 -17.819 -2.047 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.469 -16.326 -2.794 1.00 0.00 H new ATOM 1318 N GLU A 85 -12.726 -15.154 2.250 1.00 0.00 N ATOM 1319 CA GLU A 85 -13.242 -14.208 3.224 1.00 0.00 C ATOM 1320 C GLU A 85 -13.492 -12.850 2.565 1.00 0.00 C ATOM 1321 O GLU A 85 -13.839 -12.782 1.387 1.00 0.00 O ATOM 1322 CB GLU A 85 -12.289 -14.072 4.414 1.00 0.00 C ATOM 1323 CG GLU A 85 -11.799 -15.444 4.883 1.00 0.00 C ATOM 1324 CD GLU A 85 -11.336 -15.392 6.340 1.00 0.00 C ATOM 1325 OE1 GLU A 85 -12.072 -14.786 7.148 1.00 0.00 O ATOM 1326 OE2 GLU A 85 -10.256 -15.959 6.613 1.00 0.00 O ATOM 0 H GLU A 85 -11.731 -15.361 2.342 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.192 -14.587 3.602 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.436 -13.454 4.133 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.795 -13.563 5.234 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -12.600 -16.176 4.778 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.978 -15.777 4.248 1.00 0.00 H new ATOM 1333 N ASN A 86 -13.306 -11.802 3.354 1.00 0.00 N ATOM 1334 CA ASN A 86 -13.508 -10.450 2.862 1.00 0.00 C ATOM 1335 C ASN A 86 -12.228 -9.965 2.176 1.00 0.00 C ATOM 1336 O ASN A 86 -11.198 -9.796 2.826 1.00 0.00 O ATOM 1337 CB ASN A 86 -13.823 -9.487 4.008 1.00 0.00 C ATOM 1338 CG ASN A 86 -15.094 -9.912 4.747 1.00 0.00 C ATOM 1339 OD1 ASN A 86 -14.885 -10.308 5.999 1.00 0.00 O flip ATOM 1340 ND2 ASN A 86 -16.191 -9.882 4.215 1.00 0.00 N flip ATOM 0 H ASN A 86 -13.018 -11.862 4.331 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.346 -10.467 2.165 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -12.985 -9.459 4.705 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -13.946 -8.477 3.616 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -16.281 -9.567 3.249 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -17.019 -10.172 4.736 1.00 0.00 H new ATOM 1347 N LEU A 87 -12.336 -9.756 0.873 1.00 0.00 N ATOM 1348 CA LEU A 87 -11.201 -9.294 0.092 1.00 0.00 C ATOM 1349 C LEU A 87 -11.576 -7.998 -0.628 1.00 0.00 C ATOM 1350 O LEU A 87 -12.741 -7.603 -0.637 1.00 0.00 O ATOM 1351 CB LEU A 87 -10.711 -10.399 -0.846 1.00 0.00 C ATOM 1352 CG LEU A 87 -11.468 -11.727 -0.772 1.00 0.00 C ATOM 1353 CD1 LEU A 87 -11.507 -12.412 -2.139 1.00 0.00 C ATOM 1354 CD2 LEU A 87 -10.879 -12.635 0.308 1.00 0.00 C ATOM 0 H LEU A 87 -13.192 -9.898 0.338 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.358 -9.064 0.744 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.765 -10.029 -1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.660 -10.591 -0.631 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.499 -11.517 -0.488 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.051 -13.353 -2.059 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.009 -11.763 -2.857 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.489 -12.608 -2.477 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -11.436 -13.572 0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.833 -12.842 0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.947 -12.140 1.277 1.00 0.00 H new ATOM 1366 N PHE A 88 -10.567 -7.371 -1.215 1.00 0.00 N ATOM 1367 CA PHE A 88 -10.776 -6.127 -1.937 1.00 0.00 C ATOM 1368 C PHE A 88 -9.671 -5.900 -2.970 1.00 0.00 C ATOM 1369 O PHE A 88 -8.532 -6.320 -2.768 1.00 0.00 O ATOM 1370 CB PHE A 88 -10.733 -4.999 -0.904 1.00 0.00 C ATOM 1371 CG PHE A 88 -9.556 -5.091 0.069 1.00 0.00 C ATOM 1372 CD1 PHE A 88 -8.340 -4.595 -0.285 1.00 0.00 C ATOM 1373 CD2 PHE A 88 -9.725 -5.668 1.289 1.00 0.00 C ATOM 1374 CE1 PHE A 88 -7.248 -4.680 0.618 1.00 0.00 C ATOM 1375 CE2 PHE A 88 -8.633 -5.753 2.192 1.00 0.00 C ATOM 1376 CZ PHE A 88 -7.417 -5.257 1.838 1.00 0.00 C ATOM 0 H PHE A 88 -9.602 -7.701 -1.205 1.00 0.00 H new ATOM 0 HA PHE A 88 -11.729 -6.159 -2.466 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -10.686 -4.043 -1.426 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.663 -5.005 -0.335 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -8.205 -4.136 -1.253 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.690 -6.062 1.571 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -6.283 -4.286 0.336 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -8.768 -6.212 3.160 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.586 -5.321 2.525 1.00 0.00 H new ATOM 1386 N GLU A 89 -10.045 -5.237 -4.054 1.00 0.00 N ATOM 1387 CA GLU A 89 -9.100 -4.949 -5.119 1.00 0.00 C ATOM 1388 C GLU A 89 -8.594 -3.509 -5.005 1.00 0.00 C ATOM 1389 O GLU A 89 -9.374 -2.591 -4.757 1.00 0.00 O ATOM 1390 CB GLU A 89 -9.726 -5.203 -6.491 1.00 0.00 C ATOM 1391 CG GLU A 89 -8.748 -4.851 -7.614 1.00 0.00 C ATOM 1392 CD GLU A 89 -9.483 -4.250 -8.814 1.00 0.00 C ATOM 1393 OE1 GLU A 89 -9.771 -3.035 -8.752 1.00 0.00 O ATOM 1394 OE2 GLU A 89 -9.739 -5.018 -9.766 1.00 0.00 O ATOM 0 H GLU A 89 -10.990 -4.891 -4.218 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.249 -5.622 -5.015 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.018 -6.250 -6.573 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.634 -4.610 -6.596 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.006 -4.143 -7.246 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.208 -5.746 -7.925 1.00 0.00 H new ATOM 1401 N ILE A 90 -7.291 -3.357 -5.192 1.00 0.00 N ATOM 1402 CA ILE A 90 -6.672 -2.045 -5.113 1.00 0.00 C ATOM 1403 C ILE A 90 -5.801 -1.821 -6.351 1.00 0.00 C ATOM 1404 O ILE A 90 -4.827 -2.541 -6.566 1.00 0.00 O ATOM 1405 CB ILE A 90 -5.916 -1.887 -3.792 1.00 0.00 C ATOM 1406 CG1 ILE A 90 -6.869 -1.987 -2.599 1.00 0.00 C ATOM 1407 CG2 ILE A 90 -5.109 -0.588 -3.774 1.00 0.00 C ATOM 1408 CD1 ILE A 90 -6.106 -1.882 -1.277 1.00 0.00 C ATOM 0 H ILE A 90 -6.647 -4.121 -5.398 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.433 -1.265 -5.113 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.205 -2.709 -3.705 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.614 -1.194 -2.657 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.408 -2.934 -2.638 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.581 -0.501 -2.824 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.387 -0.597 -4.591 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.783 0.260 -3.894 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.807 -1.956 -0.446 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.379 -2.691 -1.212 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.588 -0.924 -1.231 1.00 0.00 H new ATOM 1420 N ILE A 91 -6.183 -0.821 -7.131 1.00 0.00 N ATOM 1421 CA ILE A 91 -5.449 -0.494 -8.342 1.00 0.00 C ATOM 1422 C ILE A 91 -4.451 0.625 -8.041 1.00 0.00 C ATOM 1423 O ILE A 91 -4.737 1.521 -7.248 1.00 0.00 O ATOM 1424 CB ILE A 91 -6.415 -0.167 -9.482 1.00 0.00 C ATOM 1425 CG1 ILE A 91 -7.544 -1.197 -9.557 1.00 0.00 C ATOM 1426 CG2 ILE A 91 -5.669 -0.036 -10.812 1.00 0.00 C ATOM 1427 CD1 ILE A 91 -8.908 -0.510 -9.649 1.00 0.00 C ATOM 0 H ILE A 91 -6.991 -0.226 -6.948 1.00 0.00 H new ATOM 0 HA ILE A 91 -4.871 -1.354 -8.682 1.00 0.00 H new ATOM 0 HB ILE A 91 -6.874 0.799 -9.274 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.397 -1.840 -10.425 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -7.515 -1.839 -8.676 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.379 0.197 -11.606 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.932 0.764 -10.738 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.164 -0.975 -11.040 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -9.693 -1.265 -9.701 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -9.062 0.113 -8.768 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -8.943 0.112 -10.544 1.00 0.00 H new ATOM 1439 N THR A 92 -3.299 0.539 -8.690 1.00 0.00 N ATOM 1440 CA THR A 92 -2.257 1.533 -8.502 1.00 0.00 C ATOM 1441 C THR A 92 -2.162 2.445 -9.727 1.00 0.00 C ATOM 1442 O THR A 92 -2.998 2.371 -10.626 1.00 0.00 O ATOM 1443 CB THR A 92 -0.952 0.798 -8.189 1.00 0.00 C ATOM 1444 OG1 THR A 92 -0.627 0.134 -9.407 1.00 0.00 O ATOM 1445 CG2 THR A 92 -1.148 -0.340 -7.185 1.00 0.00 C ATOM 0 H THR A 92 -3.065 -0.205 -9.347 1.00 0.00 H new ATOM 0 HA THR A 92 -2.485 2.191 -7.663 1.00 0.00 H new ATOM 0 HB THR A 92 -0.221 1.506 -7.798 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.326 -0.093 -9.412 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.192 -0.829 -6.998 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.539 0.063 -6.251 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.853 -1.066 -7.591 1.00 0.00 H new ATOM 1453 N ALA A 93 -1.135 3.283 -9.724 1.00 0.00 N ATOM 1454 CA ALA A 93 -0.920 4.207 -10.824 1.00 0.00 C ATOM 1455 C ALA A 93 -0.422 3.432 -12.046 1.00 0.00 C ATOM 1456 O ALA A 93 -0.308 3.991 -13.135 1.00 0.00 O ATOM 1457 CB ALA A 93 0.058 5.300 -10.389 1.00 0.00 C ATOM 0 H ALA A 93 -0.443 3.341 -8.977 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.854 4.696 -11.102 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.219 5.993 -11.214 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.355 5.840 -9.537 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.008 4.847 -10.105 1.00 0.00 H new ATOM 1463 N ASP A 94 -0.139 2.157 -11.822 1.00 0.00 N ATOM 1464 CA ASP A 94 0.344 1.299 -12.892 1.00 0.00 C ATOM 1465 C ASP A 94 -0.778 0.356 -13.330 1.00 0.00 C ATOM 1466 O ASP A 94 -0.579 -0.489 -14.201 1.00 0.00 O ATOM 1467 CB ASP A 94 1.523 0.445 -12.422 1.00 0.00 C ATOM 1468 CG ASP A 94 2.828 0.665 -13.190 1.00 0.00 C ATOM 1469 OD1 ASP A 94 3.201 1.848 -13.348 1.00 0.00 O ATOM 1470 OD2 ASP A 94 3.422 -0.354 -13.603 1.00 0.00 O ATOM 0 H ASP A 94 -0.235 1.697 -10.916 1.00 0.00 H new ATOM 0 HA ASP A 94 0.665 1.936 -13.716 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.702 0.649 -11.366 1.00 0.00 H new ATOM 0 HB3 ASP A 94 1.245 -0.606 -12.501 1.00 0.00 H new ATOM 1475 N GLU A 95 -1.934 0.532 -12.705 1.00 0.00 N ATOM 1476 CA GLU A 95 -3.088 -0.292 -13.020 1.00 0.00 C ATOM 1477 C GLU A 95 -2.950 -1.669 -12.367 1.00 0.00 C ATOM 1478 O GLU A 95 -3.786 -2.547 -12.578 1.00 0.00 O ATOM 1479 CB GLU A 95 -3.274 -0.420 -14.533 1.00 0.00 C ATOM 1480 CG GLU A 95 -2.908 0.885 -15.243 1.00 0.00 C ATOM 1481 CD GLU A 95 -3.669 1.024 -16.563 1.00 0.00 C ATOM 1482 OE1 GLU A 95 -4.790 1.575 -16.517 1.00 0.00 O ATOM 1483 OE2 GLU A 95 -3.112 0.575 -17.588 1.00 0.00 O ATOM 0 H GLU A 95 -2.095 1.233 -11.982 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.977 0.193 -12.617 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.652 -1.231 -14.912 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.309 -0.681 -14.755 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.138 1.732 -14.596 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.835 0.911 -15.433 1.00 0.00 H new ATOM 1490 N VAL A 96 -1.890 -1.815 -11.586 1.00 0.00 N ATOM 1491 CA VAL A 96 -1.632 -3.070 -10.900 1.00 0.00 C ATOM 1492 C VAL A 96 -2.731 -3.314 -9.863 1.00 0.00 C ATOM 1493 O VAL A 96 -3.026 -2.441 -9.049 1.00 0.00 O ATOM 1494 CB VAL A 96 -0.229 -3.055 -10.291 1.00 0.00 C ATOM 1495 CG1 VAL A 96 0.091 -4.391 -9.617 1.00 0.00 C ATOM 1496 CG2 VAL A 96 0.823 -2.708 -11.347 1.00 0.00 C ATOM 0 H VAL A 96 -1.199 -1.085 -11.413 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.657 -3.902 -11.604 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.204 -2.279 -9.525 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.094 -4.353 -9.192 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.632 -4.581 -8.824 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.039 -5.192 -10.354 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.812 -2.704 -10.888 1.00 0.00 H new ATOM 0 HG22 VAL A 96 0.796 -3.450 -12.145 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.611 -1.722 -11.761 1.00 0.00 H new ATOM 1506 N HIS A 97 -3.306 -4.506 -9.927 1.00 0.00 N ATOM 1507 CA HIS A 97 -4.365 -4.877 -9.005 1.00 0.00 C ATOM 1508 C HIS A 97 -3.794 -5.766 -7.898 1.00 0.00 C ATOM 1509 O HIS A 97 -2.902 -6.576 -8.146 1.00 0.00 O ATOM 1510 CB HIS A 97 -5.530 -5.531 -9.749 1.00 0.00 C ATOM 1511 CG HIS A 97 -5.917 -4.825 -11.027 1.00 0.00 C ATOM 1512 ND1 HIS A 97 -7.111 -4.140 -11.173 1.00 0.00 N ATOM 1513 CD2 HIS A 97 -5.255 -4.703 -12.213 1.00 0.00 C ATOM 1514 CE1 HIS A 97 -7.155 -3.634 -12.397 1.00 0.00 C ATOM 1515 NE2 HIS A 97 -6.005 -3.985 -13.040 1.00 0.00 N ATOM 0 H HIS A 97 -3.058 -5.228 -10.604 1.00 0.00 H new ATOM 0 HA HIS A 97 -4.770 -3.982 -8.532 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -5.266 -6.563 -9.982 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -6.396 -5.565 -9.088 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -4.285 -5.120 -12.441 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -7.960 -3.047 -12.812 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -5.761 -3.737 -13.999 1.00 0.00 H new ATOM 1523 N TYR A 98 -4.332 -5.586 -6.701 1.00 0.00 N ATOM 1524 CA TYR A 98 -3.887 -6.362 -5.556 1.00 0.00 C ATOM 1525 C TYR A 98 -5.079 -6.861 -4.736 1.00 0.00 C ATOM 1526 O TYR A 98 -5.942 -6.076 -4.347 1.00 0.00 O ATOM 1527 CB TYR A 98 -3.056 -5.407 -4.697 1.00 0.00 C ATOM 1528 CG TYR A 98 -1.699 -5.046 -5.302 1.00 0.00 C ATOM 1529 CD1 TYR A 98 -1.599 -4.003 -6.200 1.00 0.00 C ATOM 1530 CD2 TYR A 98 -0.573 -5.764 -4.951 1.00 0.00 C ATOM 1531 CE1 TYR A 98 -0.321 -3.663 -6.770 1.00 0.00 C ATOM 1532 CE2 TYR A 98 0.705 -5.424 -5.521 1.00 0.00 C ATOM 1533 CZ TYR A 98 0.768 -4.391 -6.403 1.00 0.00 C ATOM 1534 OH TYR A 98 1.975 -4.070 -6.941 1.00 0.00 O ATOM 0 H TYR A 98 -5.072 -4.914 -6.499 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.319 -7.234 -5.880 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.625 -4.492 -4.536 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.897 -5.860 -3.719 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -2.479 -3.442 -6.475 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -0.651 -6.581 -4.249 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.229 -2.848 -7.473 1.00 0.00 H new ATOM 0 HE2 TYR A 98 1.593 -5.977 -5.254 1.00 0.00 H new ATOM 0 HH TYR A 98 2.662 -4.673 -6.587 1.00 0.00 H new ATOM 1544 N PHE A 99 -5.087 -8.165 -4.498 1.00 0.00 N ATOM 1545 CA PHE A 99 -6.159 -8.778 -3.732 1.00 0.00 C ATOM 1546 C PHE A 99 -5.683 -9.151 -2.326 1.00 0.00 C ATOM 1547 O PHE A 99 -4.897 -10.082 -2.159 1.00 0.00 O ATOM 1548 CB PHE A 99 -6.566 -10.052 -4.474 1.00 0.00 C ATOM 1549 CG PHE A 99 -7.124 -9.804 -5.877 1.00 0.00 C ATOM 1550 CD1 PHE A 99 -8.443 -9.517 -6.043 1.00 0.00 C ATOM 1551 CD2 PHE A 99 -6.300 -9.870 -6.957 1.00 0.00 C ATOM 1552 CE1 PHE A 99 -8.960 -9.287 -7.345 1.00 0.00 C ATOM 1553 CE2 PHE A 99 -6.818 -9.640 -8.259 1.00 0.00 C ATOM 1554 CZ PHE A 99 -8.137 -9.353 -8.426 1.00 0.00 C ATOM 0 H PHE A 99 -4.369 -8.813 -4.822 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.991 -8.081 -3.632 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.699 -10.709 -4.550 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -7.315 -10.580 -3.884 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -9.097 -9.464 -5.185 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -5.253 -10.097 -6.824 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -10.007 -9.059 -7.477 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.164 -9.693 -9.117 1.00 0.00 H new ATOM 0 HZ PHE A 99 -8.531 -9.178 -9.416 1.00 0.00 H new ATOM 1564 N LEU A 100 -6.180 -8.404 -1.350 1.00 0.00 N ATOM 1565 CA LEU A 100 -5.816 -8.645 0.036 1.00 0.00 C ATOM 1566 C LEU A 100 -7.061 -9.063 0.820 1.00 0.00 C ATOM 1567 O LEU A 100 -8.109 -8.428 0.713 1.00 0.00 O ATOM 1568 CB LEU A 100 -5.101 -7.425 0.621 1.00 0.00 C ATOM 1569 CG LEU A 100 -4.005 -6.808 -0.250 1.00 0.00 C ATOM 1570 CD1 LEU A 100 -2.989 -7.867 -0.684 1.00 0.00 C ATOM 1571 CD2 LEU A 100 -4.606 -6.067 -1.446 1.00 0.00 C ATOM 0 H LEU A 100 -6.831 -7.632 -1.492 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.104 -9.467 0.106 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.846 -6.658 0.830 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.661 -7.710 1.576 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.468 -6.072 0.348 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.221 -7.402 -1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.526 -8.310 0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.495 -8.644 -1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.805 -5.638 -2.048 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -5.183 -6.764 -2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -5.259 -5.270 -1.090 1.00 0.00 H new ATOM 1583 N GLN A 101 -6.904 -10.129 1.592 1.00 0.00 N ATOM 1584 CA GLN A 101 -8.003 -10.640 2.394 1.00 0.00 C ATOM 1585 C GLN A 101 -7.898 -10.120 3.829 1.00 0.00 C ATOM 1586 O GLN A 101 -6.836 -10.196 4.445 1.00 0.00 O ATOM 1587 CB GLN A 101 -8.037 -12.169 2.366 1.00 0.00 C ATOM 1588 CG GLN A 101 -9.204 -12.706 3.197 1.00 0.00 C ATOM 1589 CD GLN A 101 -8.787 -13.946 3.991 1.00 0.00 C ATOM 1590 OE1 GLN A 101 -8.980 -15.092 3.345 1.00 0.00 O flip ATOM 1591 NE2 GLN A 101 -8.321 -13.867 5.115 1.00 0.00 N flip ATOM 0 H GLN A 101 -6.033 -10.652 1.679 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.939 -10.281 1.965 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.129 -12.516 1.337 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -7.098 -12.564 2.753 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.554 -11.933 3.881 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -10.039 -12.953 2.541 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -8.199 -12.954 5.554 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -8.053 -14.714 5.617 1.00 0.00 H new ATOM 1600 N ALA A 102 -9.015 -9.602 4.320 1.00 0.00 N ATOM 1601 CA ALA A 102 -9.063 -9.070 5.671 1.00 0.00 C ATOM 1602 C ALA A 102 -9.772 -10.072 6.585 1.00 0.00 C ATOM 1603 O ALA A 102 -10.902 -10.472 6.313 1.00 0.00 O ATOM 1604 CB ALA A 102 -9.751 -7.704 5.658 1.00 0.00 C ATOM 0 H ALA A 102 -9.894 -9.540 3.806 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.056 -8.924 6.061 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.787 -7.305 6.672 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.192 -7.021 5.019 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.766 -7.811 5.274 1.00 0.00 H new ATOM 1610 N ALA A 103 -9.078 -10.447 7.649 1.00 0.00 N ATOM 1611 CA ALA A 103 -9.627 -11.394 8.605 1.00 0.00 C ATOM 1612 C ALA A 103 -11.112 -11.094 8.817 1.00 0.00 C ATOM 1613 O ALA A 103 -11.966 -11.928 8.520 1.00 0.00 O ATOM 1614 CB ALA A 103 -8.826 -11.328 9.907 1.00 0.00 C ATOM 0 H ALA A 103 -8.140 -10.112 7.871 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.548 -12.413 8.226 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -9.238 -12.038 10.624 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.784 -11.578 9.706 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.885 -10.321 10.320 1.00 0.00 H new ATOM 1620 N THR A 104 -11.375 -9.902 9.331 1.00 0.00 N ATOM 1621 CA THR A 104 -12.742 -9.482 9.587 1.00 0.00 C ATOM 1622 C THR A 104 -13.243 -8.580 8.457 1.00 0.00 C ATOM 1623 O THR A 104 -12.449 -8.051 7.681 1.00 0.00 O ATOM 1624 CB THR A 104 -12.781 -8.811 10.962 1.00 0.00 C ATOM 1625 OG1 THR A 104 -11.991 -7.637 10.798 1.00 0.00 O ATOM 1626 CG2 THR A 104 -12.035 -9.617 12.027 1.00 0.00 C ATOM 0 H THR A 104 -10.664 -9.213 9.577 1.00 0.00 H new ATOM 0 HA THR A 104 -13.421 -10.335 9.606 1.00 0.00 H new ATOM 0 HB THR A 104 -13.818 -8.674 11.270 1.00 0.00 H new ATOM 0 HG1 THR A 104 -11.964 -7.140 11.642 1.00 0.00 H new ATOM 0 HG21 THR A 104 -12.093 -9.097 12.983 1.00 0.00 H new ATOM 0 HG22 THR A 104 -12.489 -10.603 12.122 1.00 0.00 H new ATOM 0 HG23 THR A 104 -10.990 -9.725 11.736 1.00 0.00 H new ATOM 1634 N PRO A 105 -14.593 -8.429 8.399 1.00 0.00 N ATOM 1635 CA PRO A 105 -15.210 -7.600 7.377 1.00 0.00 C ATOM 1636 C PRO A 105 -15.022 -6.114 7.688 1.00 0.00 C ATOM 1637 O PRO A 105 -15.167 -5.268 6.807 1.00 0.00 O ATOM 1638 CB PRO A 105 -16.670 -8.023 7.356 1.00 0.00 C ATOM 1639 CG PRO A 105 -16.917 -8.735 8.676 1.00 0.00 C ATOM 1640 CD PRO A 105 -15.565 -9.040 9.301 1.00 0.00 C ATOM 0 HA PRO A 105 -14.756 -7.735 6.395 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -17.325 -7.159 7.250 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -16.873 -8.683 6.512 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -17.513 -8.110 9.341 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -17.479 -9.655 8.514 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -15.490 -8.623 10.305 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -15.403 -10.114 9.389 1.00 0.00 H new ATOM 1648 N LYS A 106 -14.703 -5.842 8.945 1.00 0.00 N ATOM 1649 CA LYS A 106 -14.493 -4.472 9.383 1.00 0.00 C ATOM 1650 C LYS A 106 -13.099 -4.012 8.955 1.00 0.00 C ATOM 1651 O LYS A 106 -12.874 -2.823 8.734 1.00 0.00 O ATOM 1652 CB LYS A 106 -14.748 -4.347 10.887 1.00 0.00 C ATOM 1653 CG LYS A 106 -15.014 -2.892 11.278 1.00 0.00 C ATOM 1654 CD LYS A 106 -15.300 -2.770 12.776 1.00 0.00 C ATOM 1655 CE LYS A 106 -14.232 -1.923 13.471 1.00 0.00 C ATOM 1656 NZ LYS A 106 -14.838 -0.709 14.063 1.00 0.00 N ATOM 0 H LYS A 106 -14.585 -6.546 9.674 1.00 0.00 H new ATOM 0 HA LYS A 106 -15.209 -3.804 8.904 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -15.601 -4.965 11.168 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.887 -4.724 11.438 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -14.152 -2.278 11.018 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -15.861 -2.508 10.710 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -16.281 -2.320 12.927 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -15.332 -3.762 13.226 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -13.744 -2.510 14.249 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -13.461 -1.640 12.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -14.100 -0.145 14.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -15.283 -0.142 13.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -15.557 -0.985 14.762 1.00 0.00 H new ATOM 1670 N GLU A 107 -12.197 -4.977 8.851 1.00 0.00 N ATOM 1671 CA GLU A 107 -10.830 -4.686 8.454 1.00 0.00 C ATOM 1672 C GLU A 107 -10.771 -4.354 6.961 1.00 0.00 C ATOM 1673 O GLU A 107 -10.063 -3.434 6.554 1.00 0.00 O ATOM 1674 CB GLU A 107 -9.900 -5.852 8.794 1.00 0.00 C ATOM 1675 CG GLU A 107 -8.454 -5.373 8.944 1.00 0.00 C ATOM 1676 CD GLU A 107 -8.162 -4.957 10.387 1.00 0.00 C ATOM 1677 OE1 GLU A 107 -7.791 -5.855 11.173 1.00 0.00 O ATOM 1678 OE2 GLU A 107 -8.317 -3.749 10.672 1.00 0.00 O ATOM 0 H GLU A 107 -12.387 -5.962 9.035 1.00 0.00 H new ATOM 0 HA GLU A 107 -10.487 -3.816 9.014 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -10.228 -6.326 9.719 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.957 -6.608 8.011 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -7.771 -6.168 8.645 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.275 -4.531 8.275 1.00 0.00 H new ATOM 1685 N ARG A 108 -11.524 -5.122 6.187 1.00 0.00 N ATOM 1686 CA ARG A 108 -11.566 -4.921 4.748 1.00 0.00 C ATOM 1687 C ARG A 108 -11.730 -3.435 4.424 1.00 0.00 C ATOM 1688 O ARG A 108 -10.985 -2.887 3.613 1.00 0.00 O ATOM 1689 CB ARG A 108 -12.719 -5.704 4.116 1.00 0.00 C ATOM 1690 CG ARG A 108 -12.828 -5.407 2.620 1.00 0.00 C ATOM 1691 CD ARG A 108 -14.165 -4.741 2.289 1.00 0.00 C ATOM 1692 NE ARG A 108 -15.244 -5.754 2.268 1.00 0.00 N ATOM 1693 CZ ARG A 108 -16.106 -5.952 3.274 1.00 0.00 C ATOM 1694 NH1 ARG A 108 -16.022 -5.209 4.386 1.00 0.00 N ATOM 1695 NH2 ARG A 108 -17.053 -6.895 3.167 1.00 0.00 N ATOM 0 H ARG A 108 -12.110 -5.884 6.529 1.00 0.00 H new ATOM 0 HA ARG A 108 -10.625 -5.285 4.335 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -12.564 -6.772 4.268 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -13.655 -5.444 4.611 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -12.008 -4.757 2.314 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -12.729 -6.333 2.054 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -14.391 -3.973 3.028 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -14.103 -4.244 1.321 1.00 0.00 H new ATOM 0 HE ARG A 108 -15.337 -6.337 1.436 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -15.301 -4.492 4.467 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -16.679 -5.361 5.151 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -17.116 -7.460 2.320 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -17.710 -7.047 3.932 1.00 0.00 H new ATOM 1709 N THR A 109 -12.709 -2.824 5.075 1.00 0.00 N ATOM 1710 CA THR A 109 -12.980 -1.412 4.866 1.00 0.00 C ATOM 1711 C THR A 109 -11.834 -0.562 5.418 1.00 0.00 C ATOM 1712 O THR A 109 -11.153 0.132 4.665 1.00 0.00 O ATOM 1713 CB THR A 109 -14.335 -1.092 5.502 1.00 0.00 C ATOM 1714 OG1 THR A 109 -15.285 -1.564 4.551 1.00 0.00 O ATOM 1715 CG2 THR A 109 -14.603 0.412 5.581 1.00 0.00 C ATOM 0 H THR A 109 -13.324 -3.281 5.748 1.00 0.00 H new ATOM 0 HA THR A 109 -13.038 -1.173 3.804 1.00 0.00 H new ATOM 0 HB THR A 109 -14.377 -1.522 6.503 1.00 0.00 H new ATOM 0 HG1 THR A 109 -16.192 -1.398 4.884 1.00 0.00 H new ATOM 0 HG21 THR A 109 -15.577 0.584 6.040 1.00 0.00 H new ATOM 0 HG22 THR A 109 -13.829 0.888 6.183 1.00 0.00 H new ATOM 0 HG23 THR A 109 -14.595 0.836 4.577 1.00 0.00 H new ATOM 1723 N GLU A 110 -11.657 -0.644 6.728 1.00 0.00 N ATOM 1724 CA GLU A 110 -10.605 0.109 7.390 1.00 0.00 C ATOM 1725 C GLU A 110 -9.371 0.200 6.490 1.00 0.00 C ATOM 1726 O GLU A 110 -8.916 1.295 6.162 1.00 0.00 O ATOM 1727 CB GLU A 110 -10.252 -0.513 8.743 1.00 0.00 C ATOM 1728 CG GLU A 110 -11.325 -0.198 9.787 1.00 0.00 C ATOM 1729 CD GLU A 110 -10.707 -0.037 11.177 1.00 0.00 C ATOM 1730 OE1 GLU A 110 -10.332 -1.079 11.756 1.00 0.00 O ATOM 1731 OE2 GLU A 110 -10.623 1.125 11.630 1.00 0.00 O ATOM 0 H GLU A 110 -12.224 -1.221 7.349 1.00 0.00 H new ATOM 0 HA GLU A 110 -10.971 1.119 7.576 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -10.150 -1.593 8.635 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -9.288 -0.134 9.081 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -11.849 0.717 9.510 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -12.066 -0.997 9.805 1.00 0.00 H new ATOM 1738 N TRP A 111 -8.864 -0.966 6.116 1.00 0.00 N ATOM 1739 CA TRP A 111 -7.691 -1.032 5.260 1.00 0.00 C ATOM 1740 C TRP A 111 -7.929 -0.112 4.061 1.00 0.00 C ATOM 1741 O TRP A 111 -7.150 0.808 3.816 1.00 0.00 O ATOM 1742 CB TRP A 111 -7.388 -2.476 4.856 1.00 0.00 C ATOM 1743 CG TRP A 111 -6.151 -3.066 5.536 1.00 0.00 C ATOM 1744 CD1 TRP A 111 -6.097 -4.073 6.419 1.00 0.00 C ATOM 1745 CD2 TRP A 111 -4.784 -2.643 5.351 1.00 0.00 C ATOM 1746 NE1 TRP A 111 -4.799 -4.328 6.815 1.00 0.00 N ATOM 1747 CE2 TRP A 111 -3.976 -3.431 6.145 1.00 0.00 C ATOM 1748 CE3 TRP A 111 -4.248 -1.628 4.539 1.00 0.00 C ATOM 1749 CZ2 TRP A 111 -2.585 -3.286 6.205 1.00 0.00 C ATOM 1750 CZ3 TRP A 111 -2.856 -1.495 4.611 1.00 0.00 C ATOM 1751 CH2 TRP A 111 -2.028 -2.281 5.405 1.00 0.00 C ATOM 0 H TRP A 111 -9.244 -1.872 6.390 1.00 0.00 H new ATOM 0 HA TRP A 111 -6.804 -0.687 5.792 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -8.251 -3.098 5.093 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -7.251 -2.519 3.775 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -6.960 -4.616 6.776 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -4.499 -5.043 7.478 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -4.861 -1.001 3.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -1.974 -3.916 6.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -2.393 -0.728 4.008 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -0.961 -2.117 5.405 1.00 0.00 H new ATOM 1762 N ILE A 112 -9.007 -0.393 3.345 1.00 0.00 N ATOM 1763 CA ILE A 112 -9.357 0.397 2.177 1.00 0.00 C ATOM 1764 C ILE A 112 -9.246 1.884 2.521 1.00 0.00 C ATOM 1765 O ILE A 112 -8.422 2.597 1.950 1.00 0.00 O ATOM 1766 CB ILE A 112 -10.733 -0.010 1.647 1.00 0.00 C ATOM 1767 CG1 ILE A 112 -10.605 -1.038 0.520 1.00 0.00 C ATOM 1768 CG2 ILE A 112 -11.539 1.216 1.214 1.00 0.00 C ATOM 1769 CD1 ILE A 112 -11.313 -2.344 0.886 1.00 0.00 C ATOM 0 H ILE A 112 -9.650 -1.157 3.551 1.00 0.00 H new ATOM 0 HA ILE A 112 -8.658 0.204 1.363 1.00 0.00 H new ATOM 0 HB ILE A 112 -11.283 -0.487 2.458 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -11.033 -0.633 -0.397 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -9.552 -1.235 0.320 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -12.513 0.898 0.841 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -11.676 1.881 2.067 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -11.003 1.744 0.425 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -11.207 -3.057 0.068 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -10.867 -2.759 1.790 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -12.371 -2.148 1.061 1.00 0.00 H new ATOM 1781 N LYS A 113 -10.088 2.308 3.452 1.00 0.00 N ATOM 1782 CA LYS A 113 -10.095 3.697 3.879 1.00 0.00 C ATOM 1783 C LYS A 113 -8.667 4.129 4.217 1.00 0.00 C ATOM 1784 O LYS A 113 -8.278 5.264 3.947 1.00 0.00 O ATOM 1785 CB LYS A 113 -11.087 3.900 5.025 1.00 0.00 C ATOM 1786 CG LYS A 113 -12.283 2.955 4.890 1.00 0.00 C ATOM 1787 CD LYS A 113 -13.524 3.542 5.565 1.00 0.00 C ATOM 1788 CE LYS A 113 -14.125 4.669 4.722 1.00 0.00 C ATOM 1789 NZ LYS A 113 -14.980 5.542 5.558 1.00 0.00 N ATOM 0 H LYS A 113 -10.770 1.714 3.923 1.00 0.00 H new ATOM 0 HA LYS A 113 -10.441 4.342 3.072 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -10.587 3.726 5.978 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -11.434 4.933 5.031 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -12.490 2.773 3.835 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -12.042 1.991 5.339 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -14.267 2.758 5.713 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -13.260 3.922 6.552 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -13.327 5.257 4.269 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -14.713 4.248 3.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -15.380 6.301 4.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -15.752 4.980 5.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -14.409 5.959 6.321 1.00 0.00 H new ATOM 1803 N ALA A 114 -7.925 3.201 4.803 1.00 0.00 N ATOM 1804 CA ALA A 114 -6.548 3.471 5.181 1.00 0.00 C ATOM 1805 C ALA A 114 -5.754 3.882 3.939 1.00 0.00 C ATOM 1806 O ALA A 114 -5.088 4.916 3.938 1.00 0.00 O ATOM 1807 CB ALA A 114 -5.957 2.241 5.871 1.00 0.00 C ATOM 0 H ALA A 114 -8.252 2.261 5.025 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.500 4.297 5.891 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -4.924 2.444 6.154 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.539 2.009 6.763 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.986 1.392 5.188 1.00 0.00 H new ATOM 1813 N ILE A 115 -5.852 3.050 2.912 1.00 0.00 N ATOM 1814 CA ILE A 115 -5.151 3.314 1.667 1.00 0.00 C ATOM 1815 C ILE A 115 -5.570 4.684 1.131 1.00 0.00 C ATOM 1816 O ILE A 115 -4.722 5.524 0.832 1.00 0.00 O ATOM 1817 CB ILE A 115 -5.374 2.171 0.675 1.00 0.00 C ATOM 1818 CG1 ILE A 115 -4.792 0.860 1.208 1.00 0.00 C ATOM 1819 CG2 ILE A 115 -4.816 2.526 -0.705 1.00 0.00 C ATOM 1820 CD1 ILE A 115 -5.843 -0.252 1.194 1.00 0.00 C ATOM 0 H ILE A 115 -6.406 2.193 2.917 1.00 0.00 H new ATOM 0 HA ILE A 115 -4.075 3.354 1.836 1.00 0.00 H new ATOM 0 HB ILE A 115 -6.448 2.023 0.560 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -3.936 0.564 0.601 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -4.426 1.007 2.224 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -4.988 1.697 -1.391 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -5.317 3.418 -1.081 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -3.746 2.717 -0.627 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -5.404 -1.173 1.578 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -6.686 0.036 1.821 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -6.189 -0.413 0.173 1.00 0.00 H new ATOM 1832 N GLN A 116 -6.878 4.868 1.026 1.00 0.00 N ATOM 1833 CA GLN A 116 -7.419 6.123 0.531 1.00 0.00 C ATOM 1834 C GLN A 116 -6.778 7.303 1.263 1.00 0.00 C ATOM 1835 O GLN A 116 -6.109 8.131 0.647 1.00 0.00 O ATOM 1836 CB GLN A 116 -8.943 6.154 0.669 1.00 0.00 C ATOM 1837 CG GLN A 116 -9.574 4.901 0.059 1.00 0.00 C ATOM 1838 CD GLN A 116 -11.065 5.115 -0.212 1.00 0.00 C ATOM 1839 OE1 GLN A 116 -11.852 5.386 0.679 1.00 0.00 O ATOM 1840 NE2 GLN A 116 -11.407 4.978 -1.490 1.00 0.00 N ATOM 0 H GLN A 116 -7.579 4.170 1.275 1.00 0.00 H new ATOM 0 HA GLN A 116 -7.181 6.207 -0.529 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -9.215 6.227 1.722 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -9.338 7.042 0.176 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -9.064 4.648 -0.871 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -9.441 4.056 0.735 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -10.697 4.750 -2.186 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -12.379 5.101 -1.774 1.00 0.00 H new ATOM 1849 N MET A 117 -7.005 7.343 2.568 1.00 0.00 N ATOM 1850 CA MET A 117 -6.458 8.409 3.391 1.00 0.00 C ATOM 1851 C MET A 117 -5.060 8.806 2.914 1.00 0.00 C ATOM 1852 O MET A 117 -4.770 9.989 2.745 1.00 0.00 O ATOM 1853 CB MET A 117 -6.389 7.945 4.847 1.00 0.00 C ATOM 1854 CG MET A 117 -4.984 8.143 5.419 1.00 0.00 C ATOM 1855 SD MET A 117 -5.006 7.901 7.188 1.00 0.00 S ATOM 1856 CE MET A 117 -5.596 6.218 7.263 1.00 0.00 C ATOM 0 H MET A 117 -7.560 6.654 3.076 1.00 0.00 H new ATOM 0 HA MET A 117 -7.110 9.279 3.308 1.00 0.00 H new ATOM 0 HB2 MET A 117 -7.111 8.502 5.445 1.00 0.00 H new ATOM 0 HB3 MET A 117 -6.667 6.893 4.911 1.00 0.00 H new ATOM 0 HG2 MET A 117 -4.291 7.440 4.956 1.00 0.00 H new ATOM 0 HG3 MET A 117 -4.625 9.145 5.185 1.00 0.00 H new ATOM 0 HE1 MET A 117 -5.469 5.833 8.275 1.00 0.00 H new ATOM 0 HE2 MET A 117 -6.652 6.190 6.994 1.00 0.00 H new ATOM 0 HE3 MET A 117 -5.028 5.602 6.566 1.00 0.00 H new ATOM 1866 N ALA A 118 -4.229 7.794 2.712 1.00 0.00 N ATOM 1867 CA ALA A 118 -2.867 8.023 2.259 1.00 0.00 C ATOM 1868 C ALA A 118 -2.894 8.533 0.817 1.00 0.00 C ATOM 1869 O ALA A 118 -2.318 9.578 0.514 1.00 0.00 O ATOM 1870 CB ALA A 118 -2.057 6.733 2.406 1.00 0.00 C ATOM 0 H ALA A 118 -4.472 6.814 2.854 1.00 0.00 H new ATOM 0 HA ALA A 118 -2.382 8.784 2.869 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -1.035 6.904 2.066 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -2.045 6.428 3.452 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.513 5.947 1.804 1.00 0.00 H new ATOM 1876 N SER A 119 -3.567 7.773 -0.035 1.00 0.00 N ATOM 1877 CA SER A 119 -3.676 8.136 -1.437 1.00 0.00 C ATOM 1878 C SER A 119 -4.051 9.613 -1.568 1.00 0.00 C ATOM 1879 O SER A 119 -3.425 10.352 -2.327 1.00 0.00 O ATOM 1880 CB SER A 119 -4.706 7.261 -2.154 1.00 0.00 C ATOM 1881 OG SER A 119 -6.040 7.588 -1.775 1.00 0.00 O ATOM 0 H SER A 119 -4.042 6.907 0.219 1.00 0.00 H new ATOM 0 HA SER A 119 -2.707 7.971 -1.909 1.00 0.00 H new ATOM 0 HB2 SER A 119 -4.596 7.380 -3.232 1.00 0.00 H new ATOM 0 HB3 SER A 119 -4.511 6.213 -1.928 1.00 0.00 H new ATOM 0 HG SER A 119 -6.063 7.817 -0.822 1.00 0.00 H new ATOM 1887 N ARG A 120 -5.071 10.001 -0.817 1.00 0.00 N ATOM 1888 CA ARG A 120 -5.537 11.377 -0.839 1.00 0.00 C ATOM 1889 C ARG A 120 -4.402 12.328 -0.455 1.00 0.00 C ATOM 1890 O ARG A 120 -4.166 13.326 -1.135 1.00 0.00 O ATOM 1891 CB ARG A 120 -6.709 11.577 0.123 1.00 0.00 C ATOM 1892 CG ARG A 120 -8.006 11.022 -0.469 1.00 0.00 C ATOM 1893 CD ARG A 120 -8.334 9.649 0.119 1.00 0.00 C ATOM 1894 NE ARG A 120 -9.783 9.555 0.410 1.00 0.00 N ATOM 1895 CZ ARG A 120 -10.736 9.505 -0.530 1.00 0.00 C ATOM 1896 NH1 ARG A 120 -10.400 9.538 -1.827 1.00 0.00 N ATOM 1897 NH2 ARG A 120 -12.025 9.421 -0.173 1.00 0.00 N ATOM 0 H ARG A 120 -5.588 9.386 -0.189 1.00 0.00 H new ATOM 0 HA ARG A 120 -5.873 11.597 -1.852 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -6.496 11.081 1.070 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -6.829 12.638 0.340 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -8.826 11.712 -0.269 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -7.911 10.944 -1.552 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -8.044 8.866 -0.581 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.760 9.489 1.032 1.00 0.00 H new ATOM 0 HE ARG A 120 -10.074 9.527 1.387 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -9.419 9.601 -2.098 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -11.126 9.500 -2.543 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -12.280 9.395 0.814 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -12.751 9.383 -0.889 1.00 0.00 H new ATOM 1911 N THR A 121 -3.729 11.986 0.634 1.00 0.00 N ATOM 1912 CA THR A 121 -2.625 12.797 1.117 1.00 0.00 C ATOM 1913 C THR A 121 -3.002 14.279 1.095 1.00 0.00 C ATOM 1914 O THR A 121 -4.155 14.627 0.840 1.00 0.00 O ATOM 1915 CB THR A 121 -1.393 12.471 0.270 1.00 0.00 C ATOM 1916 OG1 THR A 121 -0.412 13.406 0.710 1.00 0.00 O ATOM 1917 CG2 THR A 121 -1.593 12.808 -1.209 1.00 0.00 C ATOM 0 H THR A 121 -3.927 11.158 1.195 1.00 0.00 H new ATOM 0 HA THR A 121 -2.392 12.569 2.157 1.00 0.00 H new ATOM 0 HB THR A 121 -1.153 11.413 0.371 1.00 0.00 H new ATOM 0 HG1 THR A 121 0.421 13.264 0.213 1.00 0.00 H new ATOM 0 HG21 THR A 121 -0.689 12.557 -1.765 1.00 0.00 H new ATOM 0 HG22 THR A 121 -2.432 12.234 -1.603 1.00 0.00 H new ATOM 0 HG23 THR A 121 -1.800 13.873 -1.315 1.00 0.00 H new ATOM 1925 N GLY A 122 -2.010 15.114 1.365 1.00 0.00 N ATOM 1926 CA GLY A 122 -2.223 16.551 1.380 1.00 0.00 C ATOM 1927 C GLY A 122 -1.068 17.284 0.694 1.00 0.00 C ATOM 1928 O GLY A 122 -0.180 17.812 1.361 1.00 0.00 O ATOM 0 H GLY A 122 -1.055 14.823 1.575 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -3.160 16.789 0.876 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -2.318 16.897 2.409 1.00 0.00 H new ATOM 1932 N LYS A 123 -1.118 17.293 -0.630 1.00 0.00 N ATOM 1933 CA LYS A 123 -0.087 17.952 -1.413 1.00 0.00 C ATOM 1934 C LYS A 123 -0.486 19.410 -1.649 1.00 0.00 C ATOM 1935 O LYS A 123 -0.958 19.761 -2.730 1.00 0.00 O ATOM 1936 CB LYS A 123 0.187 17.173 -2.702 1.00 0.00 C ATOM 1937 CG LYS A 123 1.583 16.548 -2.678 1.00 0.00 C ATOM 1938 CD LYS A 123 2.660 17.600 -2.952 1.00 0.00 C ATOM 1939 CE LYS A 123 3.788 17.020 -3.808 1.00 0.00 C ATOM 1940 NZ LYS A 123 4.717 16.227 -2.972 1.00 0.00 N ATOM 0 H LYS A 123 -1.856 16.854 -1.180 1.00 0.00 H new ATOM 0 HA LYS A 123 0.857 17.963 -0.868 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -0.563 16.392 -2.826 1.00 0.00 H new ATOM 0 HB3 LYS A 123 0.098 17.839 -3.560 1.00 0.00 H new ATOM 0 HG2 LYS A 123 1.761 16.084 -1.708 1.00 0.00 H new ATOM 0 HG3 LYS A 123 1.644 15.757 -3.425 1.00 0.00 H new ATOM 0 HD2 LYS A 123 2.216 18.456 -3.460 1.00 0.00 H new ATOM 0 HD3 LYS A 123 3.066 17.965 -2.008 1.00 0.00 H new ATOM 0 HE2 LYS A 123 3.370 16.391 -4.594 1.00 0.00 H new ATOM 0 HE3 LYS A 123 4.331 17.827 -4.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 5.477 15.840 -3.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 5.130 16.837 -2.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 4.198 15.446 -2.522 1.00 0.00 H new ATOM 1954 N SER A 124 -0.281 20.220 -0.621 1.00 0.00 N ATOM 1955 CA SER A 124 -0.614 21.632 -0.703 1.00 0.00 C ATOM 1956 C SER A 124 -2.130 21.808 -0.809 1.00 0.00 C ATOM 1957 O SER A 124 -2.681 21.822 -1.909 1.00 0.00 O ATOM 1958 CB SER A 124 0.082 22.294 -1.894 1.00 0.00 C ATOM 1959 OG SER A 124 0.439 23.646 -1.621 1.00 0.00 O ATOM 0 H SER A 124 0.112 19.926 0.273 1.00 0.00 H new ATOM 0 HA SER A 124 -0.261 22.119 0.206 1.00 0.00 H new ATOM 0 HB2 SER A 124 0.977 21.728 -2.151 1.00 0.00 H new ATOM 0 HB3 SER A 124 -0.576 22.261 -2.762 1.00 0.00 H new ATOM 0 HG SER A 124 0.882 24.032 -2.405 1.00 0.00 H new ATOM 1965 N GLY A 125 -2.761 21.937 0.348 1.00 0.00 N ATOM 1966 CA GLY A 125 -4.203 22.111 0.399 1.00 0.00 C ATOM 1967 C GLY A 125 -4.685 22.274 1.842 1.00 0.00 C ATOM 1968 O GLY A 125 -3.895 22.580 2.734 1.00 0.00 O ATOM 0 H GLY A 125 -2.300 21.925 1.258 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -4.488 22.986 -0.184 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -4.693 21.251 -0.057 1.00 0.00 H new ATOM 1972 N PRO A 126 -6.014 22.058 2.032 1.00 0.00 N ATOM 1973 CA PRO A 126 -6.611 22.178 3.352 1.00 0.00 C ATOM 1974 C PRO A 126 -6.254 20.974 4.226 1.00 0.00 C ATOM 1975 O PRO A 126 -5.495 20.101 3.808 1.00 0.00 O ATOM 1976 CB PRO A 126 -8.104 22.306 3.098 1.00 0.00 C ATOM 1977 CG PRO A 126 -8.333 21.789 1.687 1.00 0.00 C ATOM 1978 CD PRO A 126 -6.980 21.694 1.000 1.00 0.00 C ATOM 0 HA PRO A 126 -6.239 23.040 3.905 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -8.675 21.726 3.824 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -8.429 23.342 3.192 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -8.818 20.813 1.712 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -8.994 22.459 1.137 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -6.797 20.688 0.623 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -6.921 22.369 0.146 1.00 0.00 H new ATOM 1986 N SER A 127 -6.819 20.966 5.425 1.00 0.00 N ATOM 1987 CA SER A 127 -6.570 19.884 6.362 1.00 0.00 C ATOM 1988 C SER A 127 -7.897 19.334 6.890 1.00 0.00 C ATOM 1989 O SER A 127 -8.331 19.695 7.983 1.00 0.00 O ATOM 1990 CB SER A 127 -5.690 20.352 7.523 1.00 0.00 C ATOM 1991 OG SER A 127 -4.462 20.916 7.068 1.00 0.00 O ATOM 0 H SER A 127 -7.448 21.692 5.769 1.00 0.00 H new ATOM 0 HA SER A 127 -6.039 19.091 5.836 1.00 0.00 H new ATOM 0 HB2 SER A 127 -6.232 21.091 8.114 1.00 0.00 H new ATOM 0 HB3 SER A 127 -5.480 19.509 8.182 1.00 0.00 H new ATOM 0 HG SER A 127 -3.929 21.204 7.838 1.00 0.00 H new ATOM 1997 N SER A 128 -8.503 18.470 6.090 1.00 0.00 N ATOM 1998 CA SER A 128 -9.771 17.866 6.463 1.00 0.00 C ATOM 1999 C SER A 128 -10.785 18.956 6.816 1.00 0.00 C ATOM 2000 O SER A 128 -10.766 19.492 7.923 1.00 0.00 O ATOM 2001 CB SER A 128 -9.597 16.903 7.639 1.00 0.00 C ATOM 2002 OG SER A 128 -9.254 15.589 7.206 1.00 0.00 O ATOM 0 H SER A 128 -8.140 18.173 5.184 1.00 0.00 H new ATOM 0 HA SER A 128 -10.142 17.295 5.612 1.00 0.00 H new ATOM 0 HB2 SER A 128 -8.820 17.280 8.304 1.00 0.00 H new ATOM 0 HB3 SER A 128 -10.521 16.865 8.216 1.00 0.00 H new ATOM 0 HG SER A 128 -9.150 15.004 7.986 1.00 0.00 H new ATOM 2008 N GLY A 129 -11.647 19.251 5.854 1.00 0.00 N ATOM 2009 CA GLY A 129 -12.667 20.268 6.048 1.00 0.00 C ATOM 2010 C GLY A 129 -13.900 19.978 5.191 1.00 0.00 C ATOM 2011 O GLY A 129 -14.086 20.587 4.139 1.00 0.00 O ATOM 0 H GLY A 129 -11.660 18.803 4.938 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -12.952 20.307 7.099 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -12.263 21.247 5.791 1.00 0.00 H new TER 2015 GLY A 129