USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 729 hydrogens (14 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 NoAdj-H: A 33 ALY H2 : A 33 ALY N : A 32 PHE C :(H bumps) USER MOD NoAdj-H: A 33 ALY H : A 33 ALY N : A 32 PHE C :(H bumps) USER MOD Set 1.1: A 48 CYS SG : rot 13:sc= -0.468! USER MOD Set 1.2: A 55 MET CE :methyl -130:sc= -1.04 (180deg=-1.97) USER MOD Set 2.1: A 28 SER OG : rot -150:sc= 0.681 USER MOD Set 2.2: A 51 GLN : amide:sc= -0.12 K(o=0.56,f=-2.2) USER MOD Set 3.1: A 25 GLN :FLIP amide:sc= -2.61! C(o=-4.2!,f=-2.8!) USER MOD Set 3.2: A 88 GLN :FLIP amide:sc= -0.261 F(o=-6.1,f=-2.8) USER MOD Set 3.3: A 90 GLN :FLIP amide:sc= 0.0479 F(o=-7.5!,f=-2.8) USER MOD Single : A 1 MET CE :methyl -162:sc= -0.0991 (180deg=-0.545) USER MOD Single : A 1 MET N :NH3+ -178:sc= 1.17 (180deg=1.15) USER MOD Single : A 5 LYS NZ :NH3+ -126:sc= 1.71 (180deg=0.253) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN :FLIP amide:sc= -0.244 F(o=-0.96,f=-0.24) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 17 HIS :FLIP no HD1:sc= 0.0158 F(o=-1.5,f=0.016) USER MOD Single : A 19 ASN :FLIP amide:sc= -0.551 F(o=-1.7,f=-0.55) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.0467 F(o=-1,f=-0.047) USER MOD Single : A 35 LYS NZ :NH3+ -168:sc= 1.04 (180deg=0.86) USER MOD Single : A 37 HIS : no HD1:sc= -0.0248 X(o=-0.025,f=-0.034) USER MOD Single : A 38 THR OG1 : rot -140:sc= -2.43! USER MOD Single : A 41 SER OG : rot -125:sc= -0.393 USER MOD Single : A 42 LYS NZ :NH3+ 165:sc= -0.019 (180deg=-0.218) USER MOD Single : A 44 MET CE :methyl 174:sc= -1.07 (180deg=-1.18) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 171:sc= -0.331 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -3.12 K(o=-3.1,f=-5.6!) USER MOD Single : A 65 GLN :FLIP amide:sc= -0.48 F(o=-2!,f=-0.48) USER MOD Single : A 68 ASN : amide:sc= 0.842 K(o=0.84,f=-0.091) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0233 USER MOD Single : A 72 THR OG1 : rot 180:sc=1.77e-05 USER MOD Single : A 75 GLN : amide:sc= -0.579 K(o=-0.58,f=-1.1) USER MOD Single : A 78 MET CE :methyl -120:sc= -1.12 (180deg=-3.38) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0.602 K(o=0.6,f=-0.9) USER MOD Single : A 91 THR OG1 : rot -47:sc= 1.05 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.756 9.555 25.146 1.00 0.00 N ATOM 2 CA MET A 1 12.665 10.566 24.549 1.00 0.00 C ATOM 3 C MET A 1 12.144 11.987 24.788 1.00 0.00 C ATOM 4 O MET A 1 12.902 12.887 25.135 1.00 0.00 O ATOM 5 CB MET A 1 12.861 10.311 23.039 1.00 0.00 C ATOM 6 CG MET A 1 11.578 10.348 22.216 1.00 0.00 C ATOM 7 SD MET A 1 11.851 10.056 20.452 1.00 0.00 S ATOM 8 CE MET A 1 12.885 11.459 20.021 1.00 0.00 C ATOM 0 H1 MET A 1 12.150 8.604 24.999 1.00 0.00 H new ATOM 0 H2 MET A 1 11.658 9.735 26.166 1.00 0.00 H new ATOM 0 H3 MET A 1 10.822 9.617 24.692 1.00 0.00 H new ATOM 0 HA MET A 1 13.633 10.471 25.042 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.551 11.057 22.645 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.334 9.338 22.907 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.887 9.597 22.599 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.099 11.318 22.347 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.874 11.601 18.940 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.503 12.356 20.509 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.907 11.273 20.352 1.00 0.00 H new ATOM 18 N ALA A 2 10.843 12.188 24.614 1.00 0.00 N ATOM 19 CA ALA A 2 10.235 13.495 24.826 1.00 0.00 C ATOM 20 C ALA A 2 9.286 13.420 26.006 1.00 0.00 C ATOM 21 O ALA A 2 8.435 14.276 26.207 1.00 0.00 O ATOM 22 CB ALA A 2 9.496 13.941 23.571 1.00 0.00 C ATOM 0 H ALA A 2 10.188 11.461 24.326 1.00 0.00 H new ATOM 0 HA ALA A 2 11.013 14.228 25.040 1.00 0.00 H new ATOM 0 HB1 ALA A 2 9.046 14.919 23.742 1.00 0.00 H new ATOM 0 HB2 ALA A 2 10.197 14.005 22.739 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.715 13.219 23.333 1.00 0.00 H new ATOM 28 N ASP A 3 9.457 12.385 26.798 1.00 0.00 N ATOM 29 CA ASP A 3 8.623 12.131 27.961 1.00 0.00 C ATOM 30 C ASP A 3 9.085 12.954 29.157 1.00 0.00 C ATOM 31 O ASP A 3 8.436 12.970 30.204 1.00 0.00 O ATOM 32 CB ASP A 3 8.650 10.636 28.300 1.00 0.00 C ATOM 33 CG ASP A 3 10.059 10.110 28.525 1.00 0.00 C ATOM 34 OD1 ASP A 3 10.896 10.211 27.589 1.00 0.00 O ATOM 35 OD2 ASP A 3 10.338 9.595 29.622 1.00 0.00 O ATOM 0 H ASP A 3 10.186 11.686 26.655 1.00 0.00 H new ATOM 0 HA ASP A 3 7.601 12.428 27.726 1.00 0.00 H new ATOM 0 HB2 ASP A 3 8.054 10.460 29.195 1.00 0.00 H new ATOM 0 HB3 ASP A 3 8.182 10.076 27.490 1.00 0.00 H new ATOM 40 N GLU A 4 10.216 13.626 29.011 1.00 0.00 N ATOM 41 CA GLU A 4 10.758 14.476 30.064 1.00 0.00 C ATOM 42 C GLU A 4 10.830 15.927 29.596 1.00 0.00 C ATOM 43 O GLU A 4 11.457 16.776 30.241 1.00 0.00 O ATOM 44 CB GLU A 4 12.164 14.010 30.425 1.00 0.00 C ATOM 45 CG GLU A 4 13.112 14.019 29.234 1.00 0.00 C ATOM 46 CD GLU A 4 14.557 14.125 29.637 1.00 0.00 C ATOM 47 OE1 GLU A 4 14.998 15.240 29.982 1.00 0.00 O ATOM 48 OE2 GLU A 4 15.263 13.107 29.593 1.00 0.00 O ATOM 0 H GLU A 4 10.783 13.599 28.164 1.00 0.00 H new ATOM 0 HA GLU A 4 10.103 14.408 30.932 1.00 0.00 H new ATOM 0 HB2 GLU A 4 12.565 14.653 31.208 1.00 0.00 H new ATOM 0 HB3 GLU A 4 12.113 13.002 30.836 1.00 0.00 H new ATOM 0 HG2 GLU A 4 12.968 13.107 28.654 1.00 0.00 H new ATOM 0 HG3 GLU A 4 12.860 14.855 28.582 1.00 0.00 H new ATOM 55 N LYS A 5 10.187 16.217 28.480 1.00 0.00 N ATOM 56 CA LYS A 5 10.244 17.529 27.870 1.00 0.00 C ATOM 57 C LYS A 5 8.882 17.873 27.269 1.00 0.00 C ATOM 58 O LYS A 5 8.003 17.016 27.219 1.00 0.00 O ATOM 59 CB LYS A 5 11.349 17.550 26.787 1.00 0.00 C ATOM 60 CG LYS A 5 12.770 17.548 27.345 1.00 0.00 C ATOM 61 CD LYS A 5 13.085 18.855 28.062 1.00 0.00 C ATOM 62 CE LYS A 5 14.391 18.771 28.842 1.00 0.00 C ATOM 63 NZ LYS A 5 14.295 17.829 29.988 1.00 0.00 N ATOM 0 H LYS A 5 9.610 15.547 27.971 1.00 0.00 H new ATOM 0 HA LYS A 5 10.487 18.278 28.624 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.224 16.683 26.139 1.00 0.00 H new ATOM 0 HB3 LYS A 5 11.216 18.435 26.165 1.00 0.00 H new ATOM 0 HG2 LYS A 5 12.891 16.714 28.036 1.00 0.00 H new ATOM 0 HG3 LYS A 5 13.481 17.395 26.533 1.00 0.00 H new ATOM 0 HD2 LYS A 5 13.148 19.663 27.334 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.270 19.102 28.743 1.00 0.00 H new ATOM 0 HE2 LYS A 5 15.192 18.451 28.175 1.00 0.00 H new ATOM 0 HE3 LYS A 5 14.659 19.762 29.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.579 18.316 30.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.315 17.494 30.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.924 17.017 29.824 1.00 0.00 H new ATOM 77 N PRO A 6 8.673 19.132 26.841 1.00 0.00 N ATOM 78 CA PRO A 6 7.416 19.549 26.221 1.00 0.00 C ATOM 79 C PRO A 6 7.167 18.870 24.879 1.00 0.00 C ATOM 80 O PRO A 6 8.006 18.138 24.361 1.00 0.00 O ATOM 81 CB PRO A 6 7.582 21.052 25.992 1.00 0.00 C ATOM 82 CG PRO A 6 8.769 21.458 26.790 1.00 0.00 C ATOM 83 CD PRO A 6 9.624 20.239 26.951 1.00 0.00 C ATOM 0 HA PRO A 6 6.571 19.284 26.857 1.00 0.00 H new ATOM 0 HB2 PRO A 6 7.729 21.272 24.935 1.00 0.00 H new ATOM 0 HB3 PRO A 6 6.693 21.596 26.310 1.00 0.00 H new ATOM 0 HG2 PRO A 6 9.320 22.252 26.286 1.00 0.00 H new ATOM 0 HG3 PRO A 6 8.466 21.848 27.762 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.393 20.184 26.180 1.00 0.00 H new ATOM 0 HD3 PRO A 6 10.136 20.233 27.913 1.00 0.00 H new ATOM 91 N LYS A 7 6.003 19.144 24.311 1.00 0.00 N ATOM 92 CA LYS A 7 5.612 18.592 23.016 1.00 0.00 C ATOM 93 C LYS A 7 6.363 19.279 21.867 1.00 0.00 C ATOM 94 O LYS A 7 6.241 18.885 20.707 1.00 0.00 O ATOM 95 CB LYS A 7 4.095 18.753 22.797 1.00 0.00 C ATOM 96 CG LYS A 7 3.642 20.176 22.408 1.00 0.00 C ATOM 97 CD LYS A 7 3.724 21.169 23.566 1.00 0.00 C ATOM 98 CE LYS A 7 2.708 20.853 24.649 1.00 0.00 C ATOM 99 NZ LYS A 7 2.781 21.813 25.775 1.00 0.00 N ATOM 0 H LYS A 7 5.301 19.754 24.731 1.00 0.00 H new ATOM 0 HA LYS A 7 5.871 17.533 23.021 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.780 18.061 22.016 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.578 18.460 23.710 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.260 20.535 21.585 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.616 20.137 22.043 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.727 21.150 23.991 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.555 22.179 23.192 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.705 20.871 24.222 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.878 19.843 25.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.071 21.561 26.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.730 21.778 26.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.594 22.774 25.425 1.00 0.00 H new ATOM 113 N GLU A 8 7.130 20.311 22.191 1.00 0.00 N ATOM 114 CA GLU A 8 7.858 21.068 21.185 1.00 0.00 C ATOM 115 C GLU A 8 8.963 20.224 20.558 1.00 0.00 C ATOM 116 O GLU A 8 9.731 19.559 21.255 1.00 0.00 O ATOM 117 CB GLU A 8 8.421 22.347 21.802 1.00 0.00 C ATOM 118 CG GLU A 8 7.337 23.323 22.235 1.00 0.00 C ATOM 119 CD GLU A 8 7.874 24.504 23.007 1.00 0.00 C ATOM 120 OE1 GLU A 8 8.658 25.292 22.440 1.00 0.00 O ATOM 121 OE2 GLU A 8 7.494 24.663 24.188 1.00 0.00 O ATOM 0 H GLU A 8 7.264 20.643 23.146 1.00 0.00 H new ATOM 0 HA GLU A 8 7.168 21.344 20.388 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.035 22.088 22.664 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.075 22.835 21.080 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.809 23.684 21.353 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.608 22.796 22.850 1.00 0.00 H new ATOM 128 N GLY A 9 9.048 20.256 19.236 1.00 0.00 N ATOM 129 CA GLY A 9 10.033 19.458 18.541 1.00 0.00 C ATOM 130 C GLY A 9 9.419 18.565 17.481 1.00 0.00 C ATOM 131 O GLY A 9 10.119 18.024 16.624 1.00 0.00 O ATOM 0 H GLY A 9 8.451 20.822 18.633 1.00 0.00 H new ATOM 0 HA2 GLY A 9 10.766 20.117 18.075 1.00 0.00 H new ATOM 0 HA3 GLY A 9 10.571 18.842 19.262 1.00 0.00 H new ATOM 135 N VAL A 10 8.111 18.408 17.528 1.00 0.00 N ATOM 136 CA VAL A 10 7.410 17.559 16.574 1.00 0.00 C ATOM 137 C VAL A 10 7.161 18.285 15.236 1.00 0.00 C ATOM 138 O VAL A 10 6.367 19.229 15.152 1.00 0.00 O ATOM 139 CB VAL A 10 6.068 17.023 17.166 1.00 0.00 C ATOM 140 CG1 VAL A 10 5.187 18.163 17.671 1.00 0.00 C ATOM 141 CG2 VAL A 10 5.322 16.175 16.143 1.00 0.00 C ATOM 0 H VAL A 10 7.507 18.857 18.217 1.00 0.00 H new ATOM 0 HA VAL A 10 8.058 16.706 16.374 1.00 0.00 H new ATOM 0 HB VAL A 10 6.314 16.391 18.019 1.00 0.00 H new ATOM 0 HG11 VAL A 10 4.261 17.755 18.076 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.714 18.712 18.451 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.956 18.837 16.846 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.391 15.814 16.580 1.00 0.00 H new ATOM 0 HG22 VAL A 10 5.100 16.778 15.263 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.941 15.326 15.854 1.00 0.00 H new ATOM 151 N LYS A 11 7.861 17.851 14.194 1.00 0.00 N ATOM 152 CA LYS A 11 7.708 18.429 12.862 1.00 0.00 C ATOM 153 C LYS A 11 7.276 17.381 11.861 1.00 0.00 C ATOM 154 O LYS A 11 8.088 16.605 11.368 1.00 0.00 O ATOM 155 CB LYS A 11 9.010 19.075 12.376 1.00 0.00 C ATOM 156 CG LYS A 11 9.128 20.551 12.685 1.00 0.00 C ATOM 157 CD LYS A 11 9.346 20.805 14.155 1.00 0.00 C ATOM 158 CE LYS A 11 9.322 22.286 14.445 1.00 0.00 C ATOM 159 NZ LYS A 11 9.775 22.592 15.820 1.00 0.00 N ATOM 0 H LYS A 11 8.545 17.096 14.246 1.00 0.00 H new ATOM 0 HA LYS A 11 6.938 19.197 12.939 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.852 18.553 12.830 1.00 0.00 H new ATOM 0 HB3 LYS A 11 9.091 18.934 11.298 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.956 20.975 12.117 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.223 21.063 12.359 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.572 20.302 14.736 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.302 20.383 14.465 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.960 22.805 13.730 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.310 22.666 14.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.742 23.620 15.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.151 22.118 16.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.750 22.253 15.948 1.00 0.00 H new ATOM 173 N THR A 12 6.005 17.336 11.562 1.00 0.00 N ATOM 174 CA THR A 12 5.497 16.387 10.590 1.00 0.00 C ATOM 175 C THR A 12 4.795 17.126 9.460 1.00 0.00 C ATOM 176 O THR A 12 4.187 18.159 9.684 1.00 0.00 O ATOM 177 CB THR A 12 4.517 15.368 11.247 1.00 0.00 C ATOM 178 OG1 THR A 12 4.047 14.427 10.270 1.00 0.00 O ATOM 179 CG2 THR A 12 3.324 16.079 11.883 1.00 0.00 C ATOM 0 H THR A 12 5.297 17.943 11.974 1.00 0.00 H new ATOM 0 HA THR A 12 6.344 15.830 10.190 1.00 0.00 H new ATOM 0 HB THR A 12 5.064 14.840 12.028 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.434 13.792 10.696 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.659 15.342 12.333 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.677 16.766 12.652 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.783 16.637 11.119 1.00 0.00 H new ATOM 187 N GLU A 13 4.957 16.640 8.230 1.00 0.00 N ATOM 188 CA GLU A 13 4.289 17.229 7.058 1.00 0.00 C ATOM 189 C GLU A 13 2.793 17.413 7.279 1.00 0.00 C ATOM 190 O GLU A 13 2.143 16.620 7.962 1.00 0.00 O ATOM 191 CB GLU A 13 4.446 16.349 5.836 1.00 0.00 C ATOM 192 CG GLU A 13 5.846 15.856 5.560 1.00 0.00 C ATOM 193 CD GLU A 13 5.917 15.087 4.259 1.00 0.00 C ATOM 194 OE1 GLU A 13 5.361 13.970 4.186 1.00 0.00 O ATOM 195 OE2 GLU A 13 6.514 15.603 3.294 1.00 0.00 O ATOM 0 H GLU A 13 5.547 15.836 8.013 1.00 0.00 H new ATOM 0 HA GLU A 13 4.767 18.197 6.907 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.791 15.485 5.947 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.097 16.903 4.965 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.530 16.704 5.521 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.176 15.218 6.380 1.00 0.00 H new ATOM 202 N ASN A 14 2.242 18.457 6.676 1.00 0.00 N ATOM 203 CA ASN A 14 0.803 18.730 6.711 1.00 0.00 C ATOM 204 C ASN A 14 0.389 19.213 5.343 1.00 0.00 C ATOM 205 O ASN A 14 -0.727 19.683 5.136 1.00 0.00 O ATOM 206 CB ASN A 14 0.479 19.836 7.727 1.00 0.00 C ATOM 207 CG ASN A 14 0.941 19.526 9.126 1.00 0.00 C ATOM 208 OD1 ASN A 14 2.176 19.859 9.413 1.00 0.00 O flip ATOM 209 ND2 ASN A 14 0.194 18.979 9.936 1.00 0.00 N flip ATOM 0 H ASN A 14 2.778 19.144 6.146 1.00 0.00 H new ATOM 0 HA ASN A 14 0.274 17.821 6.998 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.942 20.766 7.398 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.598 20.003 7.738 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.760 18.738 9.668 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.529 18.766 10.876 1.00 0.00 H new ATOM 216 N ASN A 15 1.297 19.075 4.390 1.00 0.00 N ATOM 217 CA ASN A 15 1.115 19.646 3.070 1.00 0.00 C ATOM 218 C ASN A 15 0.777 18.609 2.016 1.00 0.00 C ATOM 219 O ASN A 15 1.600 17.755 1.686 1.00 0.00 O ATOM 220 CB ASN A 15 2.390 20.386 2.644 1.00 0.00 C ATOM 221 CG ASN A 15 2.851 21.406 3.665 1.00 0.00 C ATOM 222 OD1 ASN A 15 3.577 21.071 4.609 1.00 0.00 O ATOM 223 ND2 ASN A 15 2.454 22.646 3.484 1.00 0.00 N ATOM 0 H ASN A 15 2.174 18.568 4.510 1.00 0.00 H new ATOM 0 HA ASN A 15 0.270 20.331 3.141 1.00 0.00 H new ATOM 0 HB2 ASN A 15 3.186 19.661 2.478 1.00 0.00 H new ATOM 0 HB3 ASN A 15 2.212 20.887 1.693 1.00 0.00 H new ATOM 0 HD21 ASN A 15 2.745 23.375 4.136 1.00 0.00 H new ATOM 0 HD22 ASN A 15 1.855 22.879 2.692 1.00 0.00 H new ATOM 230 N ASP A 16 -0.457 18.663 1.536 1.00 0.00 N ATOM 231 CA ASP A 16 -0.922 17.912 0.356 1.00 0.00 C ATOM 232 C ASP A 16 -0.598 16.411 0.383 1.00 0.00 C ATOM 233 O ASP A 16 -0.086 15.846 -0.593 1.00 0.00 O ATOM 234 CB ASP A 16 -0.369 18.564 -0.907 1.00 0.00 C ATOM 235 CG ASP A 16 -1.237 18.321 -2.116 1.00 0.00 C ATOM 236 OD1 ASP A 16 -2.470 18.145 -1.949 1.00 0.00 O ATOM 237 OD2 ASP A 16 -0.709 18.339 -3.237 1.00 0.00 O ATOM 0 H ASP A 16 -1.186 19.239 1.957 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.011 17.961 0.368 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.272 19.637 -0.744 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.632 18.180 -1.101 1.00 0.00 H new ATOM 242 N HIS A 17 -0.899 15.753 1.486 1.00 0.00 N ATOM 243 CA HIS A 17 -0.711 14.313 1.562 1.00 0.00 C ATOM 244 C HIS A 17 -2.019 13.611 1.901 1.00 0.00 C ATOM 245 O HIS A 17 -2.858 14.150 2.618 1.00 0.00 O ATOM 246 CB HIS A 17 0.423 13.921 2.535 1.00 0.00 C ATOM 247 CG HIS A 17 0.159 14.191 3.986 1.00 0.00 C ATOM 248 ND1 HIS A 17 -0.565 13.501 4.898 1.00 0.00 N flip ATOM 249 CD2 HIS A 17 0.707 15.251 4.663 1.00 0.00 C flip ATOM 250 CE1 HIS A 17 -0.436 14.152 6.094 1.00 0.00 C flip ATOM 251 NE2 HIS A 17 0.335 15.200 5.928 1.00 0.00 N flip ATOM 0 H HIS A 17 -1.270 16.184 2.333 1.00 0.00 H new ATOM 0 HA HIS A 17 -0.397 13.973 0.575 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.629 12.857 2.414 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.327 14.456 2.244 1.00 0.00 H new ATOM 0 HD2 HIS A 17 1.343 16.008 4.229 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -0.895 13.852 7.024 1.00 0.00 H new ATOM 0 HE2 HIS A 17 0.602 15.864 6.655 1.00 0.00 H new ATOM 260 N ILE A 18 -2.182 12.403 1.391 1.00 0.00 N ATOM 261 CA ILE A 18 -3.419 11.650 1.561 1.00 0.00 C ATOM 262 C ILE A 18 -3.153 10.240 2.067 1.00 0.00 C ATOM 263 O ILE A 18 -2.014 9.765 2.080 1.00 0.00 O ATOM 264 CB ILE A 18 -4.220 11.556 0.234 1.00 0.00 C ATOM 265 CG1 ILE A 18 -3.374 10.874 -0.849 1.00 0.00 C ATOM 266 CG2 ILE A 18 -4.667 12.938 -0.228 1.00 0.00 C ATOM 267 CD1 ILE A 18 -4.143 10.515 -2.104 1.00 0.00 C ATOM 0 H ILE A 18 -1.467 11.916 0.850 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.006 12.195 2.300 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.111 10.954 0.412 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.549 11.533 -1.118 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.935 9.967 -0.434 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.226 12.847 -1.159 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.303 13.389 0.534 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.792 13.568 -0.390 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.472 10.037 -2.818 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.952 9.829 -1.852 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.560 11.420 -2.547 1.00 0.00 H new ATOM 279 N ASN A 19 -4.210 9.580 2.503 1.00 0.00 N ATOM 280 CA ASN A 19 -4.134 8.215 2.991 1.00 0.00 C ATOM 281 C ASN A 19 -4.522 7.257 1.895 1.00 0.00 C ATOM 282 O ASN A 19 -5.433 7.519 1.125 1.00 0.00 O ATOM 283 CB ASN A 19 -5.080 8.025 4.187 1.00 0.00 C ATOM 284 CG ASN A 19 -4.850 6.726 4.933 1.00 0.00 C ATOM 285 OD1 ASN A 19 -4.031 6.780 5.961 1.00 0.00 O flip ATOM 286 ND2 ASN A 19 -5.425 5.691 4.604 1.00 0.00 N flip ATOM 0 H ASN A 19 -5.149 9.977 2.529 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.110 8.015 3.307 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.954 8.859 4.877 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.111 8.056 3.834 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.053 5.690 3.800 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.274 4.833 5.135 1.00 0.00 H new ATOM 293 N LEU A 20 -3.824 6.161 1.804 1.00 0.00 N ATOM 294 CA LEU A 20 -4.144 5.128 0.833 1.00 0.00 C ATOM 295 C LEU A 20 -4.188 3.789 1.521 1.00 0.00 C ATOM 296 O LEU A 20 -3.378 3.509 2.404 1.00 0.00 O ATOM 297 CB LEU A 20 -3.135 5.090 -0.338 1.00 0.00 C ATOM 298 CG LEU A 20 -3.190 6.255 -1.345 1.00 0.00 C ATOM 299 CD1 LEU A 20 -4.619 6.548 -1.770 1.00 0.00 C ATOM 300 CD2 LEU A 20 -2.520 7.492 -0.782 1.00 0.00 C ATOM 0 H LEU A 20 -3.019 5.949 2.393 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.120 5.363 0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.130 5.052 0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.287 4.160 -0.886 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.638 5.953 -2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.625 7.375 -2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.048 5.663 -2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.211 6.817 -0.895 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.573 8.299 -1.513 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.029 7.797 0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.476 7.271 -0.560 1.00 0.00 H new ATOM 312 N LYS A 21 -5.140 2.963 1.151 1.00 0.00 N ATOM 313 CA LYS A 21 -5.275 1.660 1.755 1.00 0.00 C ATOM 314 C LYS A 21 -5.274 0.583 0.696 1.00 0.00 C ATOM 315 O LYS A 21 -5.782 0.774 -0.397 1.00 0.00 O ATOM 316 CB LYS A 21 -6.550 1.578 2.581 1.00 0.00 C ATOM 317 CG LYS A 21 -6.644 2.634 3.670 1.00 0.00 C ATOM 318 CD LYS A 21 -7.860 2.401 4.561 1.00 0.00 C ATOM 319 CE LYS A 21 -9.167 2.560 3.787 1.00 0.00 C ATOM 320 NZ LYS A 21 -10.345 2.114 4.575 1.00 0.00 N ATOM 0 H LYS A 21 -5.833 3.172 0.433 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.423 1.504 2.416 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.409 1.677 1.917 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.612 0.591 3.039 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.738 2.617 4.275 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.706 3.623 3.217 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.810 1.400 4.990 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.842 3.105 5.393 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.295 3.605 3.505 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.112 1.985 2.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.209 2.240 4.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.237 1.110 4.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.415 2.679 5.445 1.00 0.00 H new ATOM 334 N VAL A 22 -4.709 -0.544 1.018 1.00 0.00 N ATOM 335 CA VAL A 22 -4.616 -1.654 0.093 1.00 0.00 C ATOM 336 C VAL A 22 -5.195 -2.923 0.715 1.00 0.00 C ATOM 337 O VAL A 22 -4.873 -3.264 1.844 1.00 0.00 O ATOM 338 CB VAL A 22 -3.144 -1.882 -0.315 1.00 0.00 C ATOM 339 CG1 VAL A 22 -2.261 -1.929 0.895 1.00 0.00 C ATOM 340 CG2 VAL A 22 -2.994 -3.137 -1.137 1.00 0.00 C ATOM 0 H VAL A 22 -4.295 -0.728 1.932 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.196 -1.413 -0.797 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.833 -1.040 -0.934 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.228 -2.090 0.586 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.335 -0.986 1.436 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.577 -2.745 1.545 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.947 -3.271 -1.409 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.330 -3.995 -0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.596 -3.054 -2.042 1.00 0.00 H new ATOM 350 N ALA A 23 -6.051 -3.618 -0.024 1.00 0.00 N ATOM 351 CA ALA A 23 -6.691 -4.829 0.477 1.00 0.00 C ATOM 352 C ALA A 23 -6.200 -6.062 -0.287 1.00 0.00 C ATOM 353 O ALA A 23 -6.163 -6.077 -1.526 1.00 0.00 O ATOM 354 CB ALA A 23 -8.203 -4.706 0.365 1.00 0.00 C ATOM 0 H ALA A 23 -6.319 -3.363 -0.975 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.422 -4.950 1.526 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.671 -5.616 0.742 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.543 -3.853 0.952 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.480 -4.561 -0.679 1.00 0.00 H new ATOM 360 N GLY A 24 -5.825 -7.095 0.449 1.00 0.00 N ATOM 361 CA GLY A 24 -5.334 -8.306 -0.152 1.00 0.00 C ATOM 362 C GLY A 24 -6.403 -9.357 -0.285 1.00 0.00 C ATOM 363 O GLY A 24 -7.530 -9.178 0.177 1.00 0.00 O ATOM 0 H GLY A 24 -5.855 -7.111 1.468 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.927 -8.080 -1.137 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.514 -8.700 0.449 1.00 0.00 H new ATOM 367 N GLN A 25 -6.047 -10.475 -0.896 1.00 0.00 N ATOM 368 CA GLN A 25 -6.980 -11.566 -1.141 1.00 0.00 C ATOM 369 C GLN A 25 -7.366 -12.243 0.157 1.00 0.00 C ATOM 370 O GLN A 25 -8.424 -12.845 0.279 1.00 0.00 O ATOM 371 CB GLN A 25 -6.356 -12.596 -2.084 1.00 0.00 C ATOM 372 CG GLN A 25 -5.721 -11.996 -3.326 1.00 0.00 C ATOM 373 CD GLN A 25 -4.267 -11.590 -3.120 1.00 0.00 C ATOM 374 OE1 GLN A 25 -4.037 -10.327 -2.828 1.00 0.00 O flip ATOM 375 NE2 GLN A 25 -3.361 -12.396 -3.269 1.00 0.00 N flip ATOM 0 H GLN A 25 -5.102 -10.653 -1.237 1.00 0.00 H new ATOM 0 HA GLN A 25 -7.875 -11.147 -1.602 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -5.599 -13.160 -1.539 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.125 -13.306 -2.389 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.778 -12.718 -4.140 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.295 -11.122 -3.634 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.575 -13.367 -3.495 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.391 -12.097 -3.167 1.00 0.00 H new ATOM 384 N ASP A 26 -6.504 -12.130 1.134 1.00 0.00 N ATOM 385 CA ASP A 26 -6.720 -12.745 2.434 1.00 0.00 C ATOM 386 C ASP A 26 -7.591 -11.857 3.317 1.00 0.00 C ATOM 387 O ASP A 26 -7.976 -12.239 4.422 1.00 0.00 O ATOM 388 CB ASP A 26 -5.380 -13.013 3.119 1.00 0.00 C ATOM 389 CG ASP A 26 -4.680 -11.746 3.564 1.00 0.00 C ATOM 390 OD1 ASP A 26 -4.741 -10.739 2.828 1.00 0.00 O ATOM 391 OD2 ASP A 26 -4.055 -11.761 4.647 1.00 0.00 O ATOM 0 H ASP A 26 -5.630 -11.610 1.059 1.00 0.00 H new ATOM 0 HA ASP A 26 -7.238 -13.692 2.282 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -5.543 -13.655 3.985 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.731 -13.559 2.434 1.00 0.00 H new ATOM 396 N GLY A 27 -7.917 -10.673 2.825 1.00 0.00 N ATOM 397 CA GLY A 27 -8.738 -9.757 3.586 1.00 0.00 C ATOM 398 C GLY A 27 -7.917 -8.781 4.397 1.00 0.00 C ATOM 399 O GLY A 27 -8.458 -7.983 5.161 1.00 0.00 O ATOM 0 H GLY A 27 -7.627 -10.329 1.910 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.386 -9.204 2.906 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.386 -10.324 4.254 1.00 0.00 H new ATOM 403 N SER A 28 -6.605 -8.842 4.251 1.00 0.00 N ATOM 404 CA SER A 28 -5.722 -7.939 4.960 1.00 0.00 C ATOM 405 C SER A 28 -5.729 -6.578 4.282 1.00 0.00 C ATOM 406 O SER A 28 -6.040 -6.462 3.097 1.00 0.00 O ATOM 407 CB SER A 28 -4.300 -8.510 5.002 1.00 0.00 C ATOM 408 OG SER A 28 -3.422 -7.697 5.772 1.00 0.00 O ATOM 0 H SER A 28 -6.129 -9.510 3.645 1.00 0.00 H new ATOM 0 HA SER A 28 -6.076 -7.825 5.985 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.325 -9.515 5.422 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.915 -8.599 3.986 1.00 0.00 H new ATOM 0 HG SER A 28 -2.510 -7.779 5.423 1.00 0.00 H new ATOM 414 N VAL A 29 -5.398 -5.546 5.027 1.00 0.00 N ATOM 415 CA VAL A 29 -5.373 -4.203 4.498 1.00 0.00 C ATOM 416 C VAL A 29 -4.320 -3.370 5.206 1.00 0.00 C ATOM 417 O VAL A 29 -4.176 -3.434 6.428 1.00 0.00 O ATOM 418 CB VAL A 29 -6.772 -3.521 4.592 1.00 0.00 C ATOM 419 CG1 VAL A 29 -7.357 -3.671 5.978 1.00 0.00 C ATOM 420 CG2 VAL A 29 -6.705 -2.048 4.192 1.00 0.00 C ATOM 0 H VAL A 29 -5.140 -5.615 6.011 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.112 -4.269 3.442 1.00 0.00 H new ATOM 0 HB VAL A 29 -7.430 -4.028 3.886 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.333 -3.186 6.016 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.468 -4.729 6.213 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.692 -3.205 6.706 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.698 -1.604 4.269 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.020 -1.521 4.856 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.350 -1.966 3.165 1.00 0.00 H new ATOM 430 N VAL A 30 -3.569 -2.598 4.441 1.00 0.00 N ATOM 431 CA VAL A 30 -2.536 -1.757 5.000 1.00 0.00 C ATOM 432 C VAL A 30 -2.834 -0.306 4.667 1.00 0.00 C ATOM 433 O VAL A 30 -3.245 0.005 3.548 1.00 0.00 O ATOM 434 CB VAL A 30 -1.139 -2.125 4.468 1.00 0.00 C ATOM 435 CG1 VAL A 30 -0.063 -1.522 5.355 1.00 0.00 C ATOM 436 CG2 VAL A 30 -0.980 -3.630 4.369 1.00 0.00 C ATOM 0 H VAL A 30 -3.659 -2.539 3.427 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.532 -1.909 6.079 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.030 -1.712 3.465 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.920 -1.790 4.968 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.166 -0.437 5.365 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.170 -1.906 6.369 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.015 -3.867 3.991 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.109 -4.075 5.356 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.732 -4.031 3.689 1.00 0.00 H new ATOM 446 N GLN A 31 -2.673 0.580 5.633 1.00 0.00 N ATOM 447 CA GLN A 31 -2.945 1.990 5.416 1.00 0.00 C ATOM 448 C GLN A 31 -1.648 2.791 5.373 1.00 0.00 C ATOM 449 O GLN A 31 -0.702 2.504 6.103 1.00 0.00 O ATOM 450 CB GLN A 31 -3.874 2.550 6.502 1.00 0.00 C ATOM 451 CG GLN A 31 -5.179 1.777 6.701 1.00 0.00 C ATOM 452 CD GLN A 31 -5.075 0.670 7.734 1.00 0.00 C ATOM 453 OE1 GLN A 31 -4.790 -0.535 7.287 1.00 0.00 O flip ATOM 454 NE2 GLN A 31 -5.278 0.900 8.923 1.00 0.00 N flip ATOM 0 H GLN A 31 -2.356 0.349 6.574 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.447 2.084 4.453 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.332 2.568 7.448 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.116 3.583 6.254 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.962 2.473 7.003 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.486 1.346 5.748 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.496 1.848 9.229 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.228 0.143 9.605 1.00 0.00 H new ATOM 463 N PHE A 32 -1.606 3.802 4.514 1.00 0.00 N ATOM 464 CA PHE A 32 -0.402 4.624 4.346 1.00 0.00 C ATOM 465 C PHE A 32 -0.762 6.089 4.200 1.00 0.00 C ATOM 466 O PHE A 32 -1.856 6.432 3.763 1.00 0.00 O ATOM 467 CB PHE A 32 0.387 4.200 3.097 1.00 0.00 C ATOM 468 CG PHE A 32 0.569 2.723 2.933 1.00 0.00 C ATOM 469 CD1 PHE A 32 -0.438 1.956 2.379 1.00 0.00 C ATOM 470 CD2 PHE A 32 1.748 2.103 3.312 1.00 0.00 C ATOM 471 CE1 PHE A 32 -0.279 0.609 2.209 1.00 0.00 C ATOM 472 CE2 PHE A 32 1.912 0.742 3.144 1.00 0.00 C ATOM 473 CZ PHE A 32 0.890 -0.004 2.589 1.00 0.00 C ATOM 0 H PHE A 32 -2.389 4.077 3.921 1.00 0.00 H new ATOM 0 HA PHE A 32 0.209 4.478 5.237 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.123 4.588 2.215 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.370 4.670 3.130 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.362 2.426 2.077 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.546 2.689 3.743 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.076 0.024 1.774 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.833 0.264 3.444 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.010 -1.069 2.454 1.00 0.00 H new HETATM 483 OH ALY A 33 -5.583 10.803 5.094 1.00 0.00 O HETATM 484 CH ALY A 33 -4.797 11.746 5.142 1.00 0.00 C HETATM 485 CH3 ALY A 33 -5.185 13.110 4.665 1.00 0.00 C HETATM 486 NZ ALY A 33 -3.586 11.631 5.658 1.00 0.00 N HETATM 487 CE ALY A 33 -2.704 10.488 5.418 1.00 0.00 C HETATM 488 CD ALY A 33 -2.284 9.848 6.719 1.00 0.00 C HETATM 489 CG ALY A 33 -1.334 8.677 6.539 1.00 0.00 C HETATM 490 CB ALY A 33 -0.091 9.062 5.768 1.00 0.00 C HETATM 491 CA ALY A 33 -0.009 8.388 4.410 1.00 0.00 C HETATM 492 N ALY A 33 0.167 6.956 4.558 1.00 0.00 N HETATM 493 C ALY A 33 1.123 8.963 3.592 1.00 0.00 C HETATM 494 O ALY A 33 2.247 9.127 4.077 1.00 0.00 O HETATM 0 HH33 ALY A 33 -5.454 13.064 3.610 1.00 0.00 H new HETATM 0 HH32 ALY A 33 -6.038 13.468 5.241 1.00 0.00 H new HETATM 0 HH31 ALY A 33 -4.346 13.794 4.796 1.00 0.00 H new HETATM 0 HZ ALY A 33 -3.246 12.382 6.258 1.00 0.00 H new HETATM 0 HG3 ALY A 33 -1.849 7.871 6.016 1.00 0.00 H new HETATM 0 HG2 ALY A 33 -1.047 8.290 7.517 1.00 0.00 H new HETATM 0 HE3 ALY A 33 -1.822 10.814 4.867 1.00 0.00 H new HETATM 0 HE2 ALY A 33 -3.215 9.754 4.795 1.00 0.00 H new HETATM 0 HD3 ALY A 33 -3.172 9.507 7.250 1.00 0.00 H new HETATM 0 HD2 ALY A 33 -1.806 10.600 7.347 1.00 0.00 H new HETATM 0 HCA ALY A 33 -0.947 8.575 3.888 1.00 0.00 H new HETATM 0 HB3 ALY A 33 0.790 8.799 6.353 1.00 0.00 H new HETATM 0 HB2 ALY A 33 -0.073 10.144 5.633 1.00 0.00 H new ATOM 509 N ILE A 34 0.836 9.273 2.349 1.00 0.00 N ATOM 510 CA ILE A 34 1.849 9.755 1.419 1.00 0.00 C ATOM 511 C ILE A 34 1.333 10.957 0.648 1.00 0.00 C ATOM 512 O ILE A 34 0.139 11.237 0.645 1.00 0.00 O ATOM 513 CB ILE A 34 2.270 8.652 0.398 1.00 0.00 C ATOM 514 CG1 ILE A 34 1.113 8.327 -0.556 1.00 0.00 C ATOM 515 CG2 ILE A 34 2.722 7.389 1.127 1.00 0.00 C ATOM 516 CD1 ILE A 34 1.484 7.355 -1.661 1.00 0.00 C ATOM 0 H ILE A 34 -0.099 9.201 1.949 1.00 0.00 H new ATOM 0 HA ILE A 34 2.719 10.034 2.014 1.00 0.00 H new ATOM 0 HB ILE A 34 3.106 9.034 -0.188 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.286 7.910 0.019 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.754 9.253 -1.005 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.011 6.632 0.398 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.574 7.623 1.765 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.904 7.009 1.739 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.615 7.175 -2.294 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.289 7.777 -2.262 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.815 6.414 -1.222 1.00 0.00 H new ATOM 528 N LYS A 35 2.225 11.677 0.001 1.00 0.00 N ATOM 529 CA LYS A 35 1.833 12.823 -0.797 1.00 0.00 C ATOM 530 C LYS A 35 1.202 12.374 -2.103 1.00 0.00 C ATOM 531 O LYS A 35 1.587 11.358 -2.670 1.00 0.00 O ATOM 532 CB LYS A 35 3.034 13.715 -1.080 1.00 0.00 C ATOM 533 CG LYS A 35 3.517 14.508 0.117 1.00 0.00 C ATOM 534 CD LYS A 35 4.765 15.293 -0.227 1.00 0.00 C ATOM 535 CE LYS A 35 6.010 14.421 -0.194 1.00 0.00 C ATOM 536 NZ LYS A 35 6.324 13.946 1.179 1.00 0.00 N ATOM 0 H LYS A 35 3.228 11.490 0.011 1.00 0.00 H new ATOM 0 HA LYS A 35 1.098 13.394 -0.230 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.853 13.096 -1.446 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.776 14.408 -1.881 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.733 15.189 0.448 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.724 13.833 0.947 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.656 15.732 -1.218 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.881 16.118 0.476 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.868 13.563 -0.850 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.857 14.985 -0.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.278 13.531 1.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.285 14.747 1.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.629 13.227 1.465 1.00 0.00 H new ATOM 550 N ARG A 36 0.240 13.141 -2.597 1.00 0.00 N ATOM 551 CA ARG A 36 -0.434 12.808 -3.853 1.00 0.00 C ATOM 552 C ARG A 36 0.496 13.027 -5.045 1.00 0.00 C ATOM 553 O ARG A 36 0.212 12.611 -6.162 1.00 0.00 O ATOM 554 CB ARG A 36 -1.733 13.620 -4.018 1.00 0.00 C ATOM 555 CG ARG A 36 -1.541 15.131 -4.041 1.00 0.00 C ATOM 556 CD ARG A 36 -1.229 15.643 -5.440 1.00 0.00 C ATOM 557 NE ARG A 36 -0.988 17.076 -5.443 1.00 0.00 N ATOM 558 CZ ARG A 36 -0.924 17.839 -6.526 1.00 0.00 C ATOM 559 NH1 ARG A 36 -1.094 17.312 -7.730 1.00 0.00 N ATOM 560 NH2 ARG A 36 -0.705 19.137 -6.398 1.00 0.00 N ATOM 0 H ARG A 36 -0.093 13.996 -2.152 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.700 11.752 -3.818 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.221 13.315 -4.944 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.410 13.366 -3.203 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.443 15.617 -3.669 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.730 15.404 -3.365 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.353 15.125 -5.831 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.060 15.412 -6.107 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.858 17.532 -4.540 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.276 16.313 -7.828 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.043 17.905 -8.558 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.587 19.545 -5.471 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.655 19.730 -7.226 1.00 0.00 H new ATOM 574 N HIS A 37 1.623 13.675 -4.791 1.00 0.00 N ATOM 575 CA HIS A 37 2.611 13.957 -5.823 1.00 0.00 C ATOM 576 C HIS A 37 3.752 12.952 -5.674 1.00 0.00 C ATOM 577 O HIS A 37 4.705 12.917 -6.460 1.00 0.00 O ATOM 578 CB HIS A 37 3.126 15.398 -5.667 1.00 0.00 C ATOM 579 CG HIS A 37 4.025 15.872 -6.776 1.00 0.00 C ATOM 580 ND1 HIS A 37 5.258 16.444 -6.552 1.00 0.00 N ATOM 581 CD2 HIS A 37 3.850 15.879 -8.120 1.00 0.00 C ATOM 582 CE1 HIS A 37 5.802 16.783 -7.704 1.00 0.00 C ATOM 583 NE2 HIS A 37 4.968 16.450 -8.671 1.00 0.00 N ATOM 0 H HIS A 37 1.879 14.020 -3.866 1.00 0.00 H new ATOM 0 HA HIS A 37 2.170 13.864 -6.815 1.00 0.00 H new ATOM 0 HB2 HIS A 37 2.270 16.069 -5.601 1.00 0.00 H new ATOM 0 HB3 HIS A 37 3.666 15.476 -4.723 1.00 0.00 H new ATOM 0 HD2 HIS A 37 2.991 15.505 -8.657 1.00 0.00 H new ATOM 0 HE1 HIS A 37 6.766 17.253 -7.834 1.00 0.00 H new ATOM 0 HE2 HIS A 37 5.129 16.594 -9.668 1.00 0.00 H new ATOM 592 N THR A 38 3.637 12.147 -4.639 1.00 0.00 N ATOM 593 CA THR A 38 4.582 11.109 -4.317 1.00 0.00 C ATOM 594 C THR A 38 4.144 9.784 -4.961 1.00 0.00 C ATOM 595 O THR A 38 2.962 9.457 -4.953 1.00 0.00 O ATOM 596 CB THR A 38 4.665 10.967 -2.771 1.00 0.00 C ATOM 597 OG1 THR A 38 5.574 11.932 -2.229 1.00 0.00 O ATOM 598 CG2 THR A 38 5.050 9.561 -2.332 1.00 0.00 C ATOM 0 H THR A 38 2.859 12.202 -3.982 1.00 0.00 H new ATOM 0 HA THR A 38 5.567 11.367 -4.707 1.00 0.00 H new ATOM 0 HB THR A 38 3.666 11.157 -2.379 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.100 11.520 -1.512 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.093 9.519 -1.244 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.307 8.851 -2.694 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.026 9.306 -2.744 1.00 0.00 H new ATOM 606 N PRO A 39 5.090 9.022 -5.547 1.00 0.00 N ATOM 607 CA PRO A 39 4.782 7.745 -6.206 1.00 0.00 C ATOM 608 C PRO A 39 4.166 6.724 -5.244 1.00 0.00 C ATOM 609 O PRO A 39 4.688 6.473 -4.152 1.00 0.00 O ATOM 610 CB PRO A 39 6.149 7.253 -6.710 1.00 0.00 C ATOM 611 CG PRO A 39 7.148 8.001 -5.896 1.00 0.00 C ATOM 612 CD PRO A 39 6.527 9.339 -5.616 1.00 0.00 C ATOM 0 HA PRO A 39 4.044 7.869 -6.999 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.256 6.177 -6.576 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.274 7.455 -7.774 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.372 7.472 -4.970 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.089 8.112 -6.436 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.892 9.767 -4.683 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.745 10.059 -6.404 1.00 0.00 H new ATOM 620 N LEU A 40 3.058 6.124 -5.659 1.00 0.00 N ATOM 621 CA LEU A 40 2.351 5.141 -4.842 1.00 0.00 C ATOM 622 C LEU A 40 3.133 3.832 -4.715 1.00 0.00 C ATOM 623 O LEU A 40 2.861 3.012 -3.835 1.00 0.00 O ATOM 624 CB LEU A 40 0.923 4.892 -5.376 1.00 0.00 C ATOM 625 CG LEU A 40 0.762 4.741 -6.902 1.00 0.00 C ATOM 626 CD1 LEU A 40 1.439 3.484 -7.416 1.00 0.00 C ATOM 627 CD2 LEU A 40 -0.705 4.737 -7.278 1.00 0.00 C ATOM 0 H LEU A 40 2.625 6.302 -6.565 1.00 0.00 H new ATOM 0 HA LEU A 40 2.265 5.560 -3.840 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.538 3.988 -4.904 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.290 5.717 -5.049 1.00 0.00 H new ATOM 0 HG LEU A 40 1.249 5.596 -7.371 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.303 3.413 -8.495 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.504 3.524 -7.186 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.997 2.611 -6.937 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.803 4.630 -8.358 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.205 3.904 -6.784 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.164 5.674 -6.963 1.00 0.00 H new ATOM 639 N SER A 41 4.102 3.636 -5.606 1.00 0.00 N ATOM 640 CA SER A 41 4.930 2.435 -5.620 1.00 0.00 C ATOM 641 C SER A 41 5.575 2.172 -4.264 1.00 0.00 C ATOM 642 O SER A 41 5.832 1.021 -3.896 1.00 0.00 O ATOM 643 CB SER A 41 6.001 2.571 -6.691 1.00 0.00 C ATOM 644 OG SER A 41 6.539 3.881 -6.702 1.00 0.00 O ATOM 0 H SER A 41 4.335 4.306 -6.339 1.00 0.00 H new ATOM 0 HA SER A 41 4.287 1.584 -5.844 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.796 1.848 -6.510 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.576 2.339 -7.668 1.00 0.00 H new ATOM 0 HG SER A 41 6.464 4.258 -7.604 1.00 0.00 H new ATOM 650 N LYS A 42 5.812 3.239 -3.511 1.00 0.00 N ATOM 651 CA LYS A 42 6.418 3.132 -2.200 1.00 0.00 C ATOM 652 C LYS A 42 5.556 2.263 -1.288 1.00 0.00 C ATOM 653 O LYS A 42 6.050 1.345 -0.637 1.00 0.00 O ATOM 654 CB LYS A 42 6.600 4.521 -1.586 1.00 0.00 C ATOM 655 CG LYS A 42 7.437 5.463 -2.441 1.00 0.00 C ATOM 656 CD LYS A 42 7.538 6.849 -1.818 1.00 0.00 C ATOM 657 CE LYS A 42 8.348 6.834 -0.530 1.00 0.00 C ATOM 658 NZ LYS A 42 9.766 6.464 -0.771 1.00 0.00 N ATOM 0 H LYS A 42 5.590 4.194 -3.794 1.00 0.00 H new ATOM 0 HA LYS A 42 7.397 2.664 -2.306 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.619 4.968 -1.422 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.070 4.418 -0.608 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.437 5.048 -2.568 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.996 5.542 -3.435 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.000 7.534 -2.529 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.537 7.229 -1.613 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.304 7.818 -0.062 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.903 6.128 0.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.335 6.707 0.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.832 5.442 -0.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.125 6.984 -1.597 1.00 0.00 H new ATOM 672 N LEU A 43 4.251 2.534 -1.275 1.00 0.00 N ATOM 673 CA LEU A 43 3.328 1.778 -0.443 1.00 0.00 C ATOM 674 C LEU A 43 3.093 0.388 -1.021 1.00 0.00 C ATOM 675 O LEU A 43 2.958 -0.586 -0.287 1.00 0.00 O ATOM 676 CB LEU A 43 1.985 2.538 -0.256 1.00 0.00 C ATOM 677 CG LEU A 43 0.954 2.459 -1.403 1.00 0.00 C ATOM 678 CD1 LEU A 43 0.110 1.188 -1.307 1.00 0.00 C ATOM 679 CD2 LEU A 43 0.054 3.674 -1.389 1.00 0.00 C ATOM 0 H LEU A 43 3.815 3.270 -1.831 1.00 0.00 H new ATOM 0 HA LEU A 43 3.782 1.664 0.541 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.509 2.162 0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.215 3.589 -0.083 1.00 0.00 H new ATOM 0 HG LEU A 43 1.507 2.432 -2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.606 1.163 -2.129 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.760 0.315 -1.365 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.427 1.178 -0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.667 3.602 -2.204 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.477 3.723 -0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.656 4.574 -1.515 1.00 0.00 H new ATOM 691 N MET A 44 3.054 0.291 -2.351 1.00 0.00 N ATOM 692 CA MET A 44 2.795 -0.987 -3.009 1.00 0.00 C ATOM 693 C MET A 44 3.889 -1.989 -2.700 1.00 0.00 C ATOM 694 O MET A 44 3.619 -3.121 -2.303 1.00 0.00 O ATOM 695 CB MET A 44 2.649 -0.822 -4.524 1.00 0.00 C ATOM 696 CG MET A 44 1.517 0.097 -4.947 1.00 0.00 C ATOM 697 SD MET A 44 1.016 -0.161 -6.663 1.00 0.00 S ATOM 698 CE MET A 44 2.580 0.013 -7.514 1.00 0.00 C ATOM 0 H MET A 44 3.197 1.075 -2.987 1.00 0.00 H new ATOM 0 HA MET A 44 1.851 -1.364 -2.615 1.00 0.00 H new ATOM 0 HB2 MET A 44 3.585 -0.435 -4.927 1.00 0.00 H new ATOM 0 HB3 MET A 44 2.491 -1.803 -4.971 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.659 -0.065 -4.294 1.00 0.00 H new ATOM 0 HG3 MET A 44 1.827 1.134 -4.815 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.448 -0.226 -8.569 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.936 1.039 -7.415 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.310 -0.668 -7.076 1.00 0.00 H new ATOM 708 N LYS A 45 5.132 -1.577 -2.868 1.00 0.00 N ATOM 709 CA LYS A 45 6.247 -2.455 -2.587 1.00 0.00 C ATOM 710 C LYS A 45 6.368 -2.704 -1.094 1.00 0.00 C ATOM 711 O LYS A 45 6.738 -3.790 -0.665 1.00 0.00 O ATOM 712 CB LYS A 45 7.548 -1.903 -3.158 1.00 0.00 C ATOM 713 CG LYS A 45 7.513 -1.717 -4.671 1.00 0.00 C ATOM 714 CD LYS A 45 8.897 -1.480 -5.249 1.00 0.00 C ATOM 715 CE LYS A 45 9.736 -2.753 -5.235 1.00 0.00 C ATOM 716 NZ LYS A 45 11.093 -2.523 -5.789 1.00 0.00 N ATOM 0 H LYS A 45 5.391 -0.646 -3.195 1.00 0.00 H new ATOM 0 HA LYS A 45 6.054 -3.409 -3.078 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.766 -0.945 -2.686 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.364 -2.578 -2.901 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.073 -2.600 -5.134 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.868 -0.873 -4.917 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.807 -1.114 -6.272 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.403 -0.703 -4.676 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.818 -3.123 -4.213 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.233 -3.527 -5.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.634 -3.411 -5.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.015 -2.194 -6.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.583 -1.803 -5.220 1.00 0.00 H new ATOM 730 N ALA A 46 6.022 -1.703 -0.294 1.00 0.00 N ATOM 731 CA ALA A 46 6.053 -1.852 1.151 1.00 0.00 C ATOM 732 C ALA A 46 5.044 -2.904 1.578 1.00 0.00 C ATOM 733 O ALA A 46 5.286 -3.686 2.495 1.00 0.00 O ATOM 734 CB ALA A 46 5.763 -0.526 1.832 1.00 0.00 C ATOM 0 H ALA A 46 5.719 -0.786 -0.621 1.00 0.00 H new ATOM 0 HA ALA A 46 7.050 -2.174 1.452 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.791 -0.659 2.914 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.514 0.207 1.537 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.775 -0.173 1.535 1.00 0.00 H new ATOM 740 N TYR A 47 3.906 -2.934 0.882 1.00 0.00 N ATOM 741 CA TYR A 47 2.859 -3.903 1.132 1.00 0.00 C ATOM 742 C TYR A 47 3.380 -5.316 0.952 1.00 0.00 C ATOM 743 O TYR A 47 3.273 -6.140 1.846 1.00 0.00 O ATOM 744 CB TYR A 47 1.676 -3.662 0.180 1.00 0.00 C ATOM 745 CG TYR A 47 0.586 -4.719 0.252 1.00 0.00 C ATOM 746 CD1 TYR A 47 0.638 -5.860 -0.542 1.00 0.00 C ATOM 747 CD2 TYR A 47 -0.489 -4.572 1.106 1.00 0.00 C ATOM 748 CE1 TYR A 47 -0.354 -6.819 -0.482 1.00 0.00 C ATOM 749 CE2 TYR A 47 -1.487 -5.523 1.176 1.00 0.00 C ATOM 750 CZ TYR A 47 -1.416 -6.645 0.380 1.00 0.00 C ATOM 751 OH TYR A 47 -2.403 -7.600 0.452 1.00 0.00 O ATOM 0 H TYR A 47 3.692 -2.281 0.128 1.00 0.00 H new ATOM 0 HA TYR A 47 2.523 -3.783 2.162 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.237 -2.690 0.404 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.052 -3.614 -0.842 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.469 -5.998 -1.218 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.550 -3.694 1.732 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.298 -7.699 -1.106 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -2.319 -5.388 1.851 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.998 -7.399 1.204 1.00 0.00 H new ATOM 761 N CYS A 48 3.963 -5.601 -0.204 1.00 0.00 N ATOM 762 CA CYS A 48 4.448 -6.936 -0.485 1.00 0.00 C ATOM 763 C CYS A 48 5.596 -7.315 0.449 1.00 0.00 C ATOM 764 O CYS A 48 5.703 -8.462 0.879 1.00 0.00 O ATOM 765 CB CYS A 48 4.847 -7.082 -1.965 1.00 0.00 C ATOM 766 SG CYS A 48 6.082 -5.902 -2.557 1.00 0.00 S ATOM 0 H CYS A 48 4.109 -4.927 -0.956 1.00 0.00 H new ATOM 0 HA CYS A 48 3.633 -7.635 -0.297 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.229 -8.091 -2.123 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.951 -6.981 -2.577 1.00 0.00 H new ATOM 0 HG CYS A 48 6.624 -5.295 -1.543 1.00 0.00 H new ATOM 772 N GLU A 49 6.429 -6.339 0.799 1.00 0.00 N ATOM 773 CA GLU A 49 7.547 -6.581 1.698 1.00 0.00 C ATOM 774 C GLU A 49 7.064 -6.961 3.097 1.00 0.00 C ATOM 775 O GLU A 49 7.598 -7.870 3.718 1.00 0.00 O ATOM 776 CB GLU A 49 8.460 -5.354 1.775 1.00 0.00 C ATOM 777 CG GLU A 49 9.222 -5.075 0.493 1.00 0.00 C ATOM 778 CD GLU A 49 10.169 -3.906 0.631 1.00 0.00 C ATOM 779 OE1 GLU A 49 11.316 -4.113 1.079 1.00 0.00 O ATOM 780 OE2 GLU A 49 9.777 -2.769 0.292 1.00 0.00 O ATOM 0 H GLU A 49 6.349 -5.376 0.473 1.00 0.00 H new ATOM 0 HA GLU A 49 8.116 -7.418 1.293 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.858 -4.481 2.026 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.173 -5.494 2.587 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.785 -5.964 0.207 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.514 -4.873 -0.311 1.00 0.00 H new ATOM 787 N ARG A 50 6.040 -6.275 3.589 1.00 0.00 N ATOM 788 CA ARG A 50 5.522 -6.543 4.930 1.00 0.00 C ATOM 789 C ARG A 50 4.599 -7.770 4.948 1.00 0.00 C ATOM 790 O ARG A 50 4.556 -8.515 5.925 1.00 0.00 O ATOM 791 CB ARG A 50 4.780 -5.312 5.488 1.00 0.00 C ATOM 792 CG ARG A 50 3.523 -4.942 4.710 1.00 0.00 C ATOM 793 CD ARG A 50 2.811 -3.736 5.301 1.00 0.00 C ATOM 794 NE ARG A 50 2.297 -4.000 6.649 1.00 0.00 N ATOM 795 CZ ARG A 50 2.241 -3.094 7.632 1.00 0.00 C ATOM 796 NH1 ARG A 50 2.801 -1.897 7.479 1.00 0.00 N ATOM 797 NH2 ARG A 50 1.650 -3.403 8.778 1.00 0.00 N ATOM 0 H ARG A 50 5.553 -5.533 3.086 1.00 0.00 H new ATOM 0 HA ARG A 50 6.378 -6.758 5.569 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.509 -5.503 6.526 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.459 -4.460 5.488 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.789 -4.732 3.674 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.842 -5.793 4.698 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.499 -2.891 5.336 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.986 -3.448 4.649 1.00 0.00 H new ATOM 0 HE ARG A 50 1.958 -4.941 6.851 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.277 -1.664 6.608 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.754 -1.212 8.233 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.240 -4.328 8.907 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.605 -2.716 9.530 1.00 0.00 H new ATOM 811 N GLN A 51 3.867 -7.986 3.859 1.00 0.00 N ATOM 812 CA GLN A 51 2.906 -9.088 3.784 1.00 0.00 C ATOM 813 C GLN A 51 3.560 -10.407 3.439 1.00 0.00 C ATOM 814 O GLN A 51 3.017 -11.475 3.726 1.00 0.00 O ATOM 815 CB GLN A 51 1.821 -8.776 2.763 1.00 0.00 C ATOM 816 CG GLN A 51 0.943 -7.624 3.159 1.00 0.00 C ATOM 817 CD GLN A 51 0.134 -7.908 4.414 1.00 0.00 C ATOM 818 OE1 GLN A 51 -1.003 -8.376 4.345 1.00 0.00 O ATOM 819 NE2 GLN A 51 0.721 -7.656 5.564 1.00 0.00 N ATOM 0 H GLN A 51 3.919 -7.415 3.016 1.00 0.00 H new ATOM 0 HA GLN A 51 2.466 -9.188 4.776 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.288 -8.554 1.804 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.202 -9.662 2.619 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.561 -6.741 3.322 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.264 -7.391 2.339 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.664 -7.268 5.581 1.00 0.00 H new ATOM 0 HE22 GLN A 51 0.233 -7.848 6.439 1.00 0.00 H new ATOM 828 N GLY A 52 4.720 -10.352 2.833 1.00 0.00 N ATOM 829 CA GLY A 52 5.372 -11.566 2.424 1.00 0.00 C ATOM 830 C GLY A 52 4.934 -11.979 1.034 1.00 0.00 C ATOM 831 O GLY A 52 4.731 -13.166 0.750 1.00 0.00 O ATOM 0 H GLY A 52 5.224 -9.492 2.615 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.453 -11.426 2.441 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.143 -12.362 3.132 1.00 0.00 H new ATOM 835 N LEU A 53 4.785 -10.997 0.159 1.00 0.00 N ATOM 836 CA LEU A 53 4.370 -11.234 -1.213 1.00 0.00 C ATOM 837 C LEU A 53 5.370 -10.614 -2.176 1.00 0.00 C ATOM 838 O LEU A 53 6.244 -9.858 -1.777 1.00 0.00 O ATOM 839 CB LEU A 53 2.977 -10.648 -1.481 1.00 0.00 C ATOM 840 CG LEU A 53 1.770 -11.441 -0.965 1.00 0.00 C ATOM 841 CD1 LEU A 53 1.776 -12.865 -1.498 1.00 0.00 C ATOM 842 CD2 LEU A 53 1.694 -11.429 0.546 1.00 0.00 C ATOM 0 H LEU A 53 4.948 -10.015 0.380 1.00 0.00 H new ATOM 0 HA LEU A 53 4.330 -12.312 -1.367 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.940 -9.652 -1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.864 -10.525 -2.558 1.00 0.00 H new ATOM 0 HG LEU A 53 0.876 -10.944 -1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.908 -13.401 -1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.738 -12.846 -2.587 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.686 -13.370 -1.175 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.825 -12.002 0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.598 -11.875 0.959 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.603 -10.401 0.898 1.00 0.00 H new ATOM 854 N SER A 54 5.261 -10.950 -3.440 1.00 0.00 N ATOM 855 CA SER A 54 6.122 -10.381 -4.456 1.00 0.00 C ATOM 856 C SER A 54 5.297 -9.754 -5.572 1.00 0.00 C ATOM 857 O SER A 54 4.136 -10.102 -5.760 1.00 0.00 O ATOM 858 CB SER A 54 7.046 -11.456 -5.010 1.00 0.00 C ATOM 859 OG SER A 54 7.995 -11.849 -4.033 1.00 0.00 O ATOM 0 H SER A 54 4.579 -11.621 -3.794 1.00 0.00 H new ATOM 0 HA SER A 54 6.727 -9.595 -4.004 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.460 -12.320 -5.324 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.561 -11.081 -5.895 1.00 0.00 H new ATOM 0 HG SER A 54 8.580 -12.542 -4.405 1.00 0.00 H new ATOM 865 N MET A 55 5.899 -8.838 -6.324 1.00 0.00 N ATOM 866 CA MET A 55 5.209 -8.159 -7.426 1.00 0.00 C ATOM 867 C MET A 55 4.835 -9.130 -8.540 1.00 0.00 C ATOM 868 O MET A 55 3.923 -8.888 -9.314 1.00 0.00 O ATOM 869 CB MET A 55 6.059 -7.014 -7.977 1.00 0.00 C ATOM 870 CG MET A 55 6.024 -5.785 -7.103 1.00 0.00 C ATOM 871 SD MET A 55 4.356 -5.140 -6.927 1.00 0.00 S ATOM 872 CE MET A 55 4.606 -3.972 -5.612 1.00 0.00 C ATOM 0 H MET A 55 6.867 -8.545 -6.193 1.00 0.00 H new ATOM 0 HA MET A 55 4.285 -7.744 -7.024 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.090 -7.351 -8.081 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.707 -6.754 -8.975 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.426 -6.027 -6.119 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.668 -5.016 -7.530 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.856 -4.131 -4.837 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.601 -4.109 -5.188 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.514 -2.959 -6.003 1.00 0.00 H new ATOM 882 N ARG A 56 5.571 -10.222 -8.642 1.00 0.00 N ATOM 883 CA ARG A 56 5.262 -11.262 -9.618 1.00 0.00 C ATOM 884 C ARG A 56 4.238 -12.244 -9.058 1.00 0.00 C ATOM 885 O ARG A 56 3.641 -13.029 -9.783 1.00 0.00 O ATOM 886 CB ARG A 56 6.528 -11.999 -10.086 1.00 0.00 C ATOM 887 CG ARG A 56 7.486 -12.417 -8.982 1.00 0.00 C ATOM 888 CD ARG A 56 8.552 -11.356 -8.745 1.00 0.00 C ATOM 889 NE ARG A 56 9.303 -11.060 -9.964 1.00 0.00 N ATOM 890 CZ ARG A 56 10.207 -10.086 -10.080 1.00 0.00 C ATOM 891 NH1 ARG A 56 10.497 -9.307 -9.039 1.00 0.00 N ATOM 892 NH2 ARG A 56 10.820 -9.892 -11.239 1.00 0.00 N ATOM 0 H ARG A 56 6.388 -10.416 -8.063 1.00 0.00 H new ATOM 0 HA ARG A 56 4.828 -10.773 -10.490 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.226 -12.889 -10.638 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.064 -11.357 -10.785 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.930 -12.589 -8.061 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.962 -13.361 -9.248 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.082 -10.444 -8.377 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.238 -11.696 -7.969 1.00 0.00 H new ATOM 0 HE ARG A 56 9.123 -11.639 -10.784 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.027 -9.453 -8.146 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.189 -8.564 -9.135 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.600 -10.486 -12.038 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.512 -9.148 -11.332 1.00 0.00 H new ATOM 906 N GLN A 57 4.044 -12.188 -7.751 1.00 0.00 N ATOM 907 CA GLN A 57 3.112 -13.067 -7.060 1.00 0.00 C ATOM 908 C GLN A 57 1.758 -12.409 -6.902 1.00 0.00 C ATOM 909 O GLN A 57 0.737 -13.078 -6.796 1.00 0.00 O ATOM 910 CB GLN A 57 3.678 -13.454 -5.695 1.00 0.00 C ATOM 911 CG GLN A 57 4.395 -14.796 -5.679 1.00 0.00 C ATOM 912 CD GLN A 57 5.287 -15.002 -6.886 1.00 0.00 C ATOM 913 OE1 GLN A 57 4.875 -15.582 -7.889 1.00 0.00 O ATOM 914 NE2 GLN A 57 6.487 -14.492 -6.817 1.00 0.00 N ATOM 0 H GLN A 57 4.528 -11.532 -7.138 1.00 0.00 H new ATOM 0 HA GLN A 57 2.979 -13.967 -7.660 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.372 -12.679 -5.368 1.00 0.00 H new ATOM 0 HB3 GLN A 57 2.864 -13.480 -4.970 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.996 -14.871 -4.773 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.656 -15.596 -5.639 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.792 -14.018 -5.967 1.00 0.00 H new ATOM 0 HE22 GLN A 57 7.120 -14.567 -7.613 1.00 0.00 H new ATOM 923 N ILE A 58 1.743 -11.095 -6.871 1.00 0.00 N ATOM 924 CA ILE A 58 0.491 -10.353 -6.739 1.00 0.00 C ATOM 925 C ILE A 58 0.416 -9.229 -7.758 1.00 0.00 C ATOM 926 O ILE A 58 1.331 -9.026 -8.541 1.00 0.00 O ATOM 927 CB ILE A 58 0.317 -9.755 -5.321 1.00 0.00 C ATOM 928 CG1 ILE A 58 1.322 -8.615 -5.088 1.00 0.00 C ATOM 929 CG2 ILE A 58 0.470 -10.840 -4.268 1.00 0.00 C ATOM 930 CD1 ILE A 58 1.310 -8.050 -3.682 1.00 0.00 C ATOM 0 H ILE A 58 2.577 -10.512 -6.935 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.312 -11.068 -6.917 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.687 -9.339 -5.239 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.325 -8.979 -5.312 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.110 -7.810 -5.792 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.345 -10.405 -3.276 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.287 -11.609 -4.425 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.462 -11.286 -4.346 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.048 -7.251 -3.604 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.320 -7.652 -3.458 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.553 -8.839 -2.971 1.00 0.00 H new ATOM 942 N ARG A 59 -0.682 -8.504 -7.744 1.00 0.00 N ATOM 943 CA ARG A 59 -0.882 -7.385 -8.639 1.00 0.00 C ATOM 944 C ARG A 59 -1.842 -6.383 -8.033 1.00 0.00 C ATOM 945 O ARG A 59 -2.827 -6.757 -7.393 1.00 0.00 O ATOM 946 CB ARG A 59 -1.396 -7.855 -9.999 1.00 0.00 C ATOM 947 CG ARG A 59 -0.315 -7.967 -11.059 1.00 0.00 C ATOM 948 CD ARG A 59 0.261 -6.601 -11.384 1.00 0.00 C ATOM 949 NE ARG A 59 1.308 -6.666 -12.407 1.00 0.00 N ATOM 950 CZ ARG A 59 1.170 -6.249 -13.668 1.00 0.00 C ATOM 951 NH1 ARG A 59 -0.012 -5.825 -14.114 1.00 0.00 N ATOM 952 NH2 ARG A 59 2.214 -6.280 -14.488 1.00 0.00 N ATOM 0 H ARG A 59 -1.463 -8.675 -7.110 1.00 0.00 H new ATOM 0 HA ARG A 59 0.082 -6.899 -8.788 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.876 -8.826 -9.879 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.162 -7.162 -10.347 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.478 -8.628 -10.708 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.729 -8.417 -11.961 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.539 -5.945 -11.727 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.670 -6.157 -10.477 1.00 0.00 H new ATOM 0 HE ARG A 59 2.209 -7.059 -12.136 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.819 -5.817 -13.491 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.109 -5.508 -15.079 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.115 -6.621 -14.154 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.115 -5.963 -15.452 1.00 0.00 H new ATOM 966 N PHE A 60 -1.547 -5.110 -8.223 1.00 0.00 N ATOM 967 CA PHE A 60 -2.364 -4.035 -7.691 1.00 0.00 C ATOM 968 C PHE A 60 -3.282 -3.481 -8.775 1.00 0.00 C ATOM 969 O PHE A 60 -2.881 -3.323 -9.932 1.00 0.00 O ATOM 970 CB PHE A 60 -1.468 -2.924 -7.130 1.00 0.00 C ATOM 971 CG PHE A 60 -0.624 -3.355 -5.957 1.00 0.00 C ATOM 972 CD1 PHE A 60 0.456 -4.204 -6.132 1.00 0.00 C ATOM 973 CD2 PHE A 60 -0.917 -2.912 -4.681 1.00 0.00 C ATOM 974 CE1 PHE A 60 1.222 -4.604 -5.059 1.00 0.00 C ATOM 975 CE2 PHE A 60 -0.150 -3.307 -3.603 1.00 0.00 C ATOM 976 CZ PHE A 60 0.920 -4.154 -3.792 1.00 0.00 C ATOM 0 H PHE A 60 -0.734 -4.792 -8.751 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.982 -4.429 -6.884 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.813 -2.563 -7.923 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.093 -2.085 -6.826 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.701 -4.557 -7.123 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.755 -2.249 -4.525 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.059 -5.270 -5.211 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.389 -2.952 -2.611 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.520 -4.464 -2.950 1.00 0.00 H new ATOM 986 N ARG A 61 -4.507 -3.182 -8.405 1.00 0.00 N ATOM 987 CA ARG A 61 -5.499 -2.692 -9.344 1.00 0.00 C ATOM 988 C ARG A 61 -6.418 -1.678 -8.673 1.00 0.00 C ATOM 989 O ARG A 61 -6.861 -1.869 -7.539 1.00 0.00 O ATOM 990 CB ARG A 61 -6.281 -3.891 -9.913 1.00 0.00 C ATOM 991 CG ARG A 61 -7.494 -3.569 -10.776 1.00 0.00 C ATOM 992 CD ARG A 61 -8.768 -3.586 -9.951 1.00 0.00 C ATOM 993 NE ARG A 61 -9.950 -3.872 -10.765 1.00 0.00 N ATOM 994 CZ ARG A 61 -11.001 -4.578 -10.332 1.00 0.00 C ATOM 995 NH1 ARG A 61 -10.986 -5.128 -9.121 1.00 0.00 N ATOM 996 NH2 ARG A 61 -12.054 -4.759 -11.121 1.00 0.00 N ATOM 0 H ARG A 61 -4.846 -3.270 -7.447 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.009 -2.174 -10.168 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.594 -4.496 -10.504 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.612 -4.509 -9.078 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.368 -2.589 -11.236 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.571 -4.294 -11.586 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.680 -4.336 -9.165 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.893 -2.622 -9.458 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.974 -3.512 -11.719 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.171 -5.012 -8.518 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.789 -5.665 -8.795 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.063 -4.359 -12.059 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.854 -5.298 -10.788 1.00 0.00 H new ATOM 1010 N PHE A 62 -6.692 -0.587 -9.368 1.00 0.00 N ATOM 1011 CA PHE A 62 -7.542 0.465 -8.849 1.00 0.00 C ATOM 1012 C PHE A 62 -8.420 1.014 -9.954 1.00 0.00 C ATOM 1013 O PHE A 62 -8.011 1.074 -11.102 1.00 0.00 O ATOM 1014 CB PHE A 62 -6.699 1.586 -8.237 1.00 0.00 C ATOM 1015 CG PHE A 62 -7.500 2.722 -7.676 1.00 0.00 C ATOM 1016 CD1 PHE A 62 -8.040 2.637 -6.410 1.00 0.00 C ATOM 1017 CD2 PHE A 62 -7.708 3.877 -8.413 1.00 0.00 C ATOM 1018 CE1 PHE A 62 -8.769 3.681 -5.886 1.00 0.00 C ATOM 1019 CE2 PHE A 62 -8.439 4.923 -7.896 1.00 0.00 C ATOM 1020 CZ PHE A 62 -8.970 4.826 -6.632 1.00 0.00 C ATOM 0 H PHE A 62 -6.331 -0.408 -10.305 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.176 0.046 -8.067 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.079 1.167 -7.444 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.023 1.974 -8.999 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.890 1.743 -5.824 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.291 3.958 -9.406 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -9.184 3.605 -4.892 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.595 5.817 -8.482 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.544 5.644 -6.222 1.00 0.00 H new ATOM 1030 N ASP A 63 -9.624 1.423 -9.592 1.00 0.00 N ATOM 1031 CA ASP A 63 -10.617 1.966 -10.534 1.00 0.00 C ATOM 1032 C ASP A 63 -10.837 1.037 -11.724 1.00 0.00 C ATOM 1033 O ASP A 63 -11.227 1.469 -12.805 1.00 0.00 O ATOM 1034 CB ASP A 63 -10.187 3.336 -11.038 1.00 0.00 C ATOM 1035 CG ASP A 63 -11.262 4.388 -10.837 1.00 0.00 C ATOM 1036 OD1 ASP A 63 -12.315 4.311 -11.521 1.00 0.00 O ATOM 1037 OD2 ASP A 63 -11.068 5.293 -9.997 1.00 0.00 O ATOM 0 H ASP A 63 -9.954 1.391 -8.627 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.557 2.056 -9.989 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.280 3.643 -10.518 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -9.940 3.270 -12.098 1.00 0.00 H new ATOM 1042 N GLY A 64 -10.586 -0.242 -11.526 1.00 0.00 N ATOM 1043 CA GLY A 64 -10.775 -1.203 -12.581 1.00 0.00 C ATOM 1044 C GLY A 64 -9.544 -1.393 -13.459 1.00 0.00 C ATOM 1045 O GLY A 64 -9.476 -2.331 -14.248 1.00 0.00 O ATOM 0 H GLY A 64 -10.252 -0.634 -10.645 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.050 -2.162 -12.143 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.611 -0.886 -13.205 1.00 0.00 H new ATOM 1049 N GLN A 65 -8.564 -0.521 -13.320 1.00 0.00 N ATOM 1050 CA GLN A 65 -7.348 -0.600 -14.118 1.00 0.00 C ATOM 1051 C GLN A 65 -6.153 -1.040 -13.261 1.00 0.00 C ATOM 1052 O GLN A 65 -6.115 -0.779 -12.055 1.00 0.00 O ATOM 1053 CB GLN A 65 -7.063 0.757 -14.788 1.00 0.00 C ATOM 1054 CG GLN A 65 -7.065 1.929 -13.821 1.00 0.00 C ATOM 1055 CD GLN A 65 -6.727 3.249 -14.478 1.00 0.00 C ATOM 1056 OE1 GLN A 65 -6.132 4.139 -13.716 1.00 0.00 O flip ATOM 1057 NE2 GLN A 65 -6.999 3.463 -15.660 1.00 0.00 N flip ATOM 0 H GLN A 65 -8.583 0.256 -12.659 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.497 -1.350 -14.894 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.094 0.710 -15.286 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.810 0.934 -15.561 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.047 2.004 -13.355 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.348 1.734 -13.024 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.462 2.743 -16.215 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.762 4.360 -16.084 1.00 0.00 H new ATOM 1066 N PRO A 66 -5.174 -1.726 -13.869 1.00 0.00 N ATOM 1067 CA PRO A 66 -3.976 -2.185 -13.163 1.00 0.00 C ATOM 1068 C PRO A 66 -3.040 -1.024 -12.822 1.00 0.00 C ATOM 1069 O PRO A 66 -2.846 -0.104 -13.622 1.00 0.00 O ATOM 1070 CB PRO A 66 -3.313 -3.133 -14.167 1.00 0.00 C ATOM 1071 CG PRO A 66 -3.774 -2.656 -15.500 1.00 0.00 C ATOM 1072 CD PRO A 66 -5.160 -2.108 -15.294 1.00 0.00 C ATOM 0 HA PRO A 66 -4.212 -2.658 -12.210 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.226 -3.097 -14.088 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.611 -4.167 -13.992 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.106 -1.888 -15.891 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.781 -3.471 -16.224 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.353 -1.252 -15.940 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.923 -2.854 -15.517 1.00 0.00 H new ATOM 1080 N ILE A 67 -2.463 -1.061 -11.638 1.00 0.00 N ATOM 1081 CA ILE A 67 -1.569 -0.003 -11.199 1.00 0.00 C ATOM 1082 C ILE A 67 -0.131 -0.373 -11.495 1.00 0.00 C ATOM 1083 O ILE A 67 0.242 -1.550 -11.460 1.00 0.00 O ATOM 1084 CB ILE A 67 -1.703 0.263 -9.679 1.00 0.00 C ATOM 1085 CG1 ILE A 67 -3.169 0.356 -9.270 1.00 0.00 C ATOM 1086 CG2 ILE A 67 -0.967 1.542 -9.291 1.00 0.00 C ATOM 1087 CD1 ILE A 67 -3.360 0.544 -7.784 1.00 0.00 C ATOM 0 H ILE A 67 -2.596 -1.812 -10.960 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.848 0.899 -11.744 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.250 -0.576 -9.150 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.635 1.188 -9.798 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.686 -0.551 -9.585 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.073 1.712 -8.220 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.090 1.444 -9.540 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.391 2.385 -9.836 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.425 0.603 -7.559 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.922 -0.300 -7.251 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.871 1.465 -7.468 1.00 0.00 H new ATOM 1099 N ASN A 68 0.683 0.617 -11.798 1.00 0.00 N ATOM 1100 CA ASN A 68 2.089 0.393 -12.034 1.00 0.00 C ATOM 1101 C ASN A 68 2.872 1.138 -10.998 1.00 0.00 C ATOM 1102 O ASN A 68 2.357 2.056 -10.359 1.00 0.00 O ATOM 1103 CB ASN A 68 2.530 0.879 -13.420 1.00 0.00 C ATOM 1104 CG ASN A 68 1.439 0.848 -14.452 1.00 0.00 C ATOM 1105 OD1 ASN A 68 1.192 -0.173 -15.088 1.00 0.00 O ATOM 1106 ND2 ASN A 68 0.808 1.978 -14.653 1.00 0.00 N ATOM 0 H ASN A 68 0.390 1.590 -11.886 1.00 0.00 H new ATOM 0 HA ASN A 68 2.270 -0.681 -11.981 1.00 0.00 H new ATOM 0 HB2 ASN A 68 2.906 1.898 -13.334 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.359 0.261 -13.764 1.00 0.00 H new ATOM 0 HD21 ASN A 68 0.077 2.035 -15.362 1.00 0.00 H new ATOM 0 HD22 ASN A 68 1.047 2.801 -14.100 1.00 0.00 H new ATOM 1113 N GLU A 69 4.117 0.777 -10.832 1.00 0.00 N ATOM 1114 CA GLU A 69 4.976 1.441 -9.877 1.00 0.00 C ATOM 1115 C GLU A 69 5.319 2.851 -10.356 1.00 0.00 C ATOM 1116 O GLU A 69 5.778 3.697 -9.588 1.00 0.00 O ATOM 1117 CB GLU A 69 6.251 0.620 -9.662 1.00 0.00 C ATOM 1118 CG GLU A 69 6.982 0.267 -10.949 1.00 0.00 C ATOM 1119 CD GLU A 69 8.160 -0.647 -10.720 1.00 0.00 C ATOM 1120 OE1 GLU A 69 7.941 -1.847 -10.478 1.00 0.00 O ATOM 1121 OE2 GLU A 69 9.314 -0.173 -10.785 1.00 0.00 O ATOM 0 H GLU A 69 4.565 0.021 -11.349 1.00 0.00 H new ATOM 0 HA GLU A 69 4.448 1.524 -8.927 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.926 1.179 -9.014 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.995 -0.300 -9.137 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.285 -0.211 -11.638 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.327 1.183 -11.429 1.00 0.00 H new ATOM 1128 N THR A 70 5.086 3.096 -11.630 1.00 0.00 N ATOM 1129 CA THR A 70 5.406 4.351 -12.237 1.00 0.00 C ATOM 1130 C THR A 70 4.298 5.373 -12.089 1.00 0.00 C ATOM 1131 O THR A 70 4.514 6.564 -12.308 1.00 0.00 O ATOM 1132 CB THR A 70 5.717 4.145 -13.719 1.00 0.00 C ATOM 1133 OG1 THR A 70 4.699 3.308 -14.304 1.00 0.00 O ATOM 1134 CG2 THR A 70 7.071 3.477 -13.880 1.00 0.00 C ATOM 0 H THR A 70 4.667 2.419 -12.268 1.00 0.00 H new ATOM 0 HA THR A 70 6.280 4.743 -11.717 1.00 0.00 H new ATOM 0 HB THR A 70 5.736 5.113 -14.220 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.893 3.174 -15.255 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.283 3.335 -14.940 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.842 4.107 -13.437 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.061 2.509 -13.379 1.00 0.00 H new ATOM 1142 N ASP A 71 3.109 4.938 -11.701 1.00 0.00 N ATOM 1143 CA ASP A 71 1.986 5.844 -11.587 1.00 0.00 C ATOM 1144 C ASP A 71 1.932 6.540 -10.230 1.00 0.00 C ATOM 1145 O ASP A 71 2.536 6.091 -9.249 1.00 0.00 O ATOM 1146 CB ASP A 71 0.688 5.089 -11.839 1.00 0.00 C ATOM 1147 CG ASP A 71 0.183 5.269 -13.249 1.00 0.00 C ATOM 1148 OD1 ASP A 71 0.740 4.637 -14.166 1.00 0.00 O ATOM 1149 OD2 ASP A 71 -0.764 6.048 -13.454 1.00 0.00 O ATOM 0 H ASP A 71 2.901 3.968 -11.462 1.00 0.00 H new ATOM 0 HA ASP A 71 2.117 6.621 -12.340 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.844 4.028 -11.645 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.072 5.433 -11.137 1.00 0.00 H new ATOM 1154 N THR A 72 1.210 7.649 -10.178 1.00 0.00 N ATOM 1155 CA THR A 72 1.026 8.402 -8.951 1.00 0.00 C ATOM 1156 C THR A 72 -0.424 8.344 -8.499 1.00 0.00 C ATOM 1157 O THR A 72 -1.318 8.150 -9.313 1.00 0.00 O ATOM 1158 CB THR A 72 1.427 9.878 -9.133 1.00 0.00 C ATOM 1159 OG1 THR A 72 1.153 10.305 -10.474 1.00 0.00 O ATOM 1160 CG2 THR A 72 2.888 10.091 -8.797 1.00 0.00 C ATOM 0 H THR A 72 0.736 8.051 -10.987 1.00 0.00 H new ATOM 0 HA THR A 72 1.668 7.948 -8.196 1.00 0.00 H new ATOM 0 HB THR A 72 0.833 10.479 -8.445 1.00 0.00 H new ATOM 0 HG1 THR A 72 1.410 11.245 -10.577 1.00 0.00 H new ATOM 0 HG21 THR A 72 3.143 11.142 -8.934 1.00 0.00 H new ATOM 0 HG22 THR A 72 3.068 9.806 -7.760 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.505 9.479 -9.454 1.00 0.00 H new ATOM 1168 N PRO A 73 -0.677 8.520 -7.193 1.00 0.00 N ATOM 1169 CA PRO A 73 -2.039 8.511 -6.631 1.00 0.00 C ATOM 1170 C PRO A 73 -2.918 9.599 -7.254 1.00 0.00 C ATOM 1171 O PRO A 73 -4.138 9.453 -7.377 1.00 0.00 O ATOM 1172 CB PRO A 73 -1.813 8.802 -5.136 1.00 0.00 C ATOM 1173 CG PRO A 73 -0.437 9.378 -5.061 1.00 0.00 C ATOM 1174 CD PRO A 73 0.337 8.736 -6.156 1.00 0.00 C ATOM 0 HA PRO A 73 -2.555 7.570 -6.821 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.556 9.502 -4.753 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.894 7.893 -4.540 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.460 10.461 -5.183 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.018 9.176 -4.091 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.145 9.377 -6.509 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.791 7.799 -5.834 1.00 0.00 H new ATOM 1182 N ALA A 74 -2.290 10.686 -7.665 1.00 0.00 N ATOM 1183 CA ALA A 74 -2.996 11.796 -8.262 1.00 0.00 C ATOM 1184 C ALA A 74 -3.404 11.482 -9.700 1.00 0.00 C ATOM 1185 O ALA A 74 -4.303 12.110 -10.256 1.00 0.00 O ATOM 1186 CB ALA A 74 -2.136 13.043 -8.210 1.00 0.00 C ATOM 0 H ALA A 74 -1.281 10.820 -7.593 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.908 11.971 -7.691 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.675 13.876 -8.662 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.904 13.282 -7.172 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.210 12.870 -8.758 1.00 0.00 H new ATOM 1192 N GLN A 75 -2.752 10.488 -10.298 1.00 0.00 N ATOM 1193 CA GLN A 75 -3.039 10.097 -11.673 1.00 0.00 C ATOM 1194 C GLN A 75 -4.411 9.472 -11.752 1.00 0.00 C ATOM 1195 O GLN A 75 -5.198 9.747 -12.662 1.00 0.00 O ATOM 1196 CB GLN A 75 -2.004 9.095 -12.161 1.00 0.00 C ATOM 1197 CG GLN A 75 -1.690 9.212 -13.637 1.00 0.00 C ATOM 1198 CD GLN A 75 -1.399 10.640 -14.055 1.00 0.00 C ATOM 1199 OE1 GLN A 75 -2.291 11.367 -14.485 1.00 0.00 O ATOM 1200 NE2 GLN A 75 -0.161 11.057 -13.910 1.00 0.00 N ATOM 0 H GLN A 75 -2.020 9.938 -9.849 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.004 10.986 -12.303 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.084 9.230 -11.592 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -2.362 8.087 -11.954 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.830 8.585 -13.874 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -2.531 8.831 -14.216 1.00 0.00 H new ATOM 0 HE21 GLN A 75 0.552 10.423 -13.549 1.00 0.00 H new ATOM 0 HE22 GLN A 75 0.087 12.015 -14.158 1.00 0.00 H new ATOM 1209 N LEU A 76 -4.708 8.630 -10.781 1.00 0.00 N ATOM 1210 CA LEU A 76 -5.979 7.952 -10.724 1.00 0.00 C ATOM 1211 C LEU A 76 -6.999 8.840 -10.036 1.00 0.00 C ATOM 1212 O LEU A 76 -8.129 8.418 -9.768 1.00 0.00 O ATOM 1213 CB LEU A 76 -5.837 6.626 -9.979 1.00 0.00 C ATOM 1214 CG LEU A 76 -4.498 5.904 -10.170 1.00 0.00 C ATOM 1215 CD1 LEU A 76 -3.590 6.164 -8.991 1.00 0.00 C ATOM 1216 CD2 LEU A 76 -4.704 4.415 -10.362 1.00 0.00 C ATOM 0 H LEU A 76 -4.075 8.401 -10.015 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.319 7.741 -11.738 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.983 6.809 -8.914 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.638 5.961 -10.300 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.026 6.297 -11.070 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.643 5.645 -9.140 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.407 7.235 -8.902 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.064 5.800 -8.080 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.738 3.928 -10.495 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.201 4.000 -9.485 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.321 4.244 -11.244 1.00 0.00 H new ATOM 1228 N GLU A 77 -6.579 10.102 -9.755 1.00 0.00 N ATOM 1229 CA GLU A 77 -7.410 11.130 -9.102 1.00 0.00 C ATOM 1230 C GLU A 77 -8.195 10.567 -7.931 1.00 0.00 C ATOM 1231 O GLU A 77 -9.367 10.882 -7.721 1.00 0.00 O ATOM 1232 CB GLU A 77 -8.307 11.869 -10.124 1.00 0.00 C ATOM 1233 CG GLU A 77 -8.966 10.976 -11.163 1.00 0.00 C ATOM 1234 CD GLU A 77 -9.593 11.753 -12.285 1.00 0.00 C ATOM 1235 OE1 GLU A 77 -8.852 12.435 -13.028 1.00 0.00 O ATOM 1236 OE2 GLU A 77 -10.824 11.678 -12.451 1.00 0.00 O ATOM 0 H GLU A 77 -5.640 10.431 -9.982 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.736 11.877 -8.682 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.085 12.405 -9.581 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.705 12.617 -10.639 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.222 10.292 -11.572 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.729 10.365 -10.679 1.00 0.00 H new ATOM 1243 N MET A 78 -7.516 9.755 -7.141 1.00 0.00 N ATOM 1244 CA MET A 78 -8.114 9.096 -6.003 1.00 0.00 C ATOM 1245 C MET A 78 -8.125 10.021 -4.789 1.00 0.00 C ATOM 1246 O MET A 78 -7.500 11.090 -4.792 1.00 0.00 O ATOM 1247 CB MET A 78 -7.337 7.811 -5.697 1.00 0.00 C ATOM 1248 CG MET A 78 -5.949 8.051 -5.129 1.00 0.00 C ATOM 1249 SD MET A 78 -4.767 6.761 -5.587 1.00 0.00 S ATOM 1250 CE MET A 78 -5.648 5.292 -5.098 1.00 0.00 C ATOM 0 H MET A 78 -6.529 9.536 -7.275 1.00 0.00 H new ATOM 0 HA MET A 78 -9.148 8.843 -6.238 1.00 0.00 H new ATOM 0 HB2 MET A 78 -7.910 7.212 -4.989 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.248 7.225 -6.612 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.580 9.015 -5.479 1.00 0.00 H new ATOM 0 HG3 MET A 78 -6.012 8.110 -4.042 1.00 0.00 H new ATOM 0 HE1 MET A 78 -5.068 4.752 -4.350 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.614 5.570 -4.677 1.00 0.00 H new ATOM 0 HE3 MET A 78 -5.802 4.654 -5.968 1.00 0.00 H new ATOM 1260 N GLU A 79 -8.829 9.620 -3.752 1.00 0.00 N ATOM 1261 CA GLU A 79 -8.928 10.416 -2.544 1.00 0.00 C ATOM 1262 C GLU A 79 -8.323 9.664 -1.373 1.00 0.00 C ATOM 1263 O GLU A 79 -8.006 8.477 -1.484 1.00 0.00 O ATOM 1264 CB GLU A 79 -10.392 10.724 -2.245 1.00 0.00 C ATOM 1265 CG GLU A 79 -11.172 9.517 -1.757 1.00 0.00 C ATOM 1266 CD GLU A 79 -12.639 9.803 -1.576 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -13.007 10.418 -0.551 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -13.442 9.405 -2.454 1.00 0.00 O ATOM 0 H GLU A 79 -9.345 8.741 -3.720 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.383 11.348 -2.693 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.444 11.510 -1.492 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.865 11.114 -3.146 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -11.051 8.700 -2.469 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.753 9.179 -0.809 1.00 0.00 H new ATOM 1275 N ASP A 80 -8.124 10.353 -0.258 1.00 0.00 N ATOM 1276 CA ASP A 80 -7.636 9.721 0.956 1.00 0.00 C ATOM 1277 C ASP A 80 -8.562 8.609 1.427 1.00 0.00 C ATOM 1278 O ASP A 80 -9.786 8.693 1.302 1.00 0.00 O ATOM 1279 CB ASP A 80 -7.439 10.757 2.078 1.00 0.00 C ATOM 1280 CG ASP A 80 -8.690 11.565 2.375 1.00 0.00 C ATOM 1281 OD1 ASP A 80 -9.114 12.348 1.499 1.00 0.00 O ATOM 1282 OD2 ASP A 80 -9.244 11.440 3.490 1.00 0.00 O ATOM 0 H ASP A 80 -8.295 11.355 -0.171 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.671 9.275 0.716 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.122 10.244 2.986 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.634 11.436 1.799 1.00 0.00 H new ATOM 1287 N GLU A 81 -7.943 7.556 1.944 1.00 0.00 N ATOM 1288 CA GLU A 81 -8.615 6.378 2.475 1.00 0.00 C ATOM 1289 C GLU A 81 -9.184 5.509 1.375 1.00 0.00 C ATOM 1290 O GLU A 81 -10.013 4.633 1.627 1.00 0.00 O ATOM 1291 CB GLU A 81 -9.700 6.745 3.486 1.00 0.00 C ATOM 1292 CG GLU A 81 -9.170 7.411 4.739 1.00 0.00 C ATOM 1293 CD GLU A 81 -10.249 7.608 5.768 1.00 0.00 C ATOM 1294 OE1 GLU A 81 -10.605 6.627 6.459 1.00 0.00 O ATOM 1295 OE2 GLU A 81 -10.765 8.736 5.881 1.00 0.00 O ATOM 0 H GLU A 81 -6.927 7.497 2.007 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.854 5.800 2.999 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -10.418 7.411 3.008 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.241 5.842 3.767 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -8.371 6.803 5.163 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.734 8.376 4.481 1.00 0.00 H new ATOM 1302 N ASP A 82 -8.738 5.725 0.150 1.00 0.00 N ATOM 1303 CA ASP A 82 -9.212 4.907 -0.957 1.00 0.00 C ATOM 1304 C ASP A 82 -8.584 3.518 -0.874 1.00 0.00 C ATOM 1305 O ASP A 82 -7.512 3.350 -0.293 1.00 0.00 O ATOM 1306 CB ASP A 82 -8.925 5.561 -2.307 1.00 0.00 C ATOM 1307 CG ASP A 82 -10.062 5.343 -3.284 1.00 0.00 C ATOM 1308 OD1 ASP A 82 -10.527 4.192 -3.411 1.00 0.00 O ATOM 1309 OD2 ASP A 82 -10.517 6.326 -3.918 1.00 0.00 O ATOM 0 H ASP A 82 -8.061 6.445 -0.103 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.295 4.813 -0.876 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.764 6.630 -2.167 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.004 5.152 -2.722 1.00 0.00 H new ATOM 1314 N THR A 83 -9.232 2.521 -1.451 1.00 0.00 N ATOM 1315 CA THR A 83 -8.771 1.149 -1.314 1.00 0.00 C ATOM 1316 C THR A 83 -8.239 0.569 -2.628 1.00 0.00 C ATOM 1317 O THR A 83 -8.817 0.759 -3.699 1.00 0.00 O ATOM 1318 CB THR A 83 -9.895 0.250 -0.758 1.00 0.00 C ATOM 1319 OG1 THR A 83 -10.399 0.824 0.459 1.00 0.00 O ATOM 1320 CG2 THR A 83 -9.382 -1.156 -0.470 1.00 0.00 C ATOM 0 H THR A 83 -10.074 2.634 -2.016 1.00 0.00 H new ATOM 0 HA THR A 83 -7.940 1.170 -0.609 1.00 0.00 H new ATOM 0 HB THR A 83 -10.685 0.184 -1.506 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.115 0.258 0.816 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.196 -1.767 -0.079 1.00 0.00 H new ATOM 0 HG22 THR A 83 -9.004 -1.601 -1.390 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.579 -1.107 0.266 1.00 0.00 H new ATOM 1328 N ILE A 84 -7.119 -0.130 -2.525 1.00 0.00 N ATOM 1329 CA ILE A 84 -6.479 -0.786 -3.649 1.00 0.00 C ATOM 1330 C ILE A 84 -6.835 -2.273 -3.651 1.00 0.00 C ATOM 1331 O ILE A 84 -6.865 -2.910 -2.596 1.00 0.00 O ATOM 1332 CB ILE A 84 -4.937 -0.660 -3.547 1.00 0.00 C ATOM 1333 CG1 ILE A 84 -4.507 0.806 -3.395 1.00 0.00 C ATOM 1334 CG2 ILE A 84 -4.261 -1.298 -4.742 1.00 0.00 C ATOM 1335 CD1 ILE A 84 -4.896 1.688 -4.555 1.00 0.00 C ATOM 0 H ILE A 84 -6.623 -0.258 -1.643 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.828 -0.308 -4.564 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.620 -1.195 -2.652 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.947 1.209 -2.483 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.425 0.844 -3.271 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.180 -1.196 -4.646 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.523 -2.355 -4.787 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.592 -0.803 -5.655 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.555 2.706 -4.368 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.434 1.313 -5.468 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.980 1.683 -4.668 1.00 0.00 H new ATOM 1347 N ASP A 85 -7.111 -2.829 -4.820 1.00 0.00 N ATOM 1348 CA ASP A 85 -7.426 -4.249 -4.929 1.00 0.00 C ATOM 1349 C ASP A 85 -6.199 -5.029 -5.354 1.00 0.00 C ATOM 1350 O ASP A 85 -5.616 -4.763 -6.402 1.00 0.00 O ATOM 1351 CB ASP A 85 -8.557 -4.486 -5.935 1.00 0.00 C ATOM 1352 CG ASP A 85 -9.017 -5.934 -5.976 1.00 0.00 C ATOM 1353 OD1 ASP A 85 -9.175 -6.548 -4.893 1.00 0.00 O ATOM 1354 OD2 ASP A 85 -9.235 -6.460 -7.093 1.00 0.00 O ATOM 0 H ASP A 85 -7.124 -2.323 -5.705 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.753 -4.595 -3.948 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -9.403 -3.848 -5.680 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.221 -4.188 -6.928 1.00 0.00 H new ATOM 1359 N VAL A 86 -5.786 -5.965 -4.534 1.00 0.00 N ATOM 1360 CA VAL A 86 -4.651 -6.804 -4.852 1.00 0.00 C ATOM 1361 C VAL A 86 -5.108 -8.231 -5.061 1.00 0.00 C ATOM 1362 O VAL A 86 -5.950 -8.746 -4.318 1.00 0.00 O ATOM 1363 CB VAL A 86 -3.580 -6.758 -3.742 1.00 0.00 C ATOM 1364 CG1 VAL A 86 -2.412 -7.676 -4.069 1.00 0.00 C ATOM 1365 CG2 VAL A 86 -3.093 -5.346 -3.557 1.00 0.00 C ATOM 0 H VAL A 86 -6.221 -6.167 -3.634 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.202 -6.422 -5.769 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.034 -7.107 -2.814 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.673 -7.623 -3.270 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.770 -8.701 -4.165 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.955 -7.363 -5.007 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.337 -5.322 -2.772 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.659 -4.986 -4.490 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.930 -4.707 -3.275 1.00 0.00 H new ATOM 1375 N PHE A 87 -4.554 -8.878 -6.059 1.00 0.00 N ATOM 1376 CA PHE A 87 -4.910 -10.239 -6.386 1.00 0.00 C ATOM 1377 C PHE A 87 -3.661 -11.041 -6.702 1.00 0.00 C ATOM 1378 O PHE A 87 -2.642 -10.482 -7.110 1.00 0.00 O ATOM 1379 CB PHE A 87 -5.912 -10.278 -7.549 1.00 0.00 C ATOM 1380 CG PHE A 87 -5.553 -9.385 -8.700 1.00 0.00 C ATOM 1381 CD1 PHE A 87 -5.937 -8.053 -8.705 1.00 0.00 C ATOM 1382 CD2 PHE A 87 -4.838 -9.872 -9.776 1.00 0.00 C ATOM 1383 CE1 PHE A 87 -5.612 -7.232 -9.758 1.00 0.00 C ATOM 1384 CE2 PHE A 87 -4.511 -9.051 -10.835 1.00 0.00 C ATOM 1385 CZ PHE A 87 -4.899 -7.729 -10.824 1.00 0.00 C ATOM 0 H PHE A 87 -3.842 -8.475 -6.668 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.397 -10.693 -5.523 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.992 -11.303 -7.910 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.896 -9.993 -7.176 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.498 -7.656 -7.872 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.531 -10.907 -9.789 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.917 -6.196 -9.748 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -3.952 -9.444 -11.671 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.644 -7.084 -11.652 1.00 0.00 H new ATOM 1395 N GLN A 88 -3.719 -12.342 -6.489 1.00 0.00 N ATOM 1396 CA GLN A 88 -2.564 -13.203 -6.688 1.00 0.00 C ATOM 1397 C GLN A 88 -2.352 -13.551 -8.172 1.00 0.00 C ATOM 1398 O GLN A 88 -3.194 -14.184 -8.808 1.00 0.00 O ATOM 1399 CB GLN A 88 -2.712 -14.488 -5.869 1.00 0.00 C ATOM 1400 CG GLN A 88 -1.410 -15.251 -5.697 1.00 0.00 C ATOM 1401 CD GLN A 88 -0.709 -14.956 -4.380 1.00 0.00 C ATOM 1402 OE1 GLN A 88 -0.953 -13.793 -3.814 1.00 0.00 O flip ATOM 1403 NE2 GLN A 88 0.028 -15.784 -3.865 1.00 0.00 N flip ATOM 0 H GLN A 88 -4.558 -12.830 -6.176 1.00 0.00 H new ATOM 0 HA GLN A 88 -1.687 -12.652 -6.348 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.110 -14.239 -4.885 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -3.442 -15.136 -6.354 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.612 -16.320 -5.761 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.740 -15.003 -6.521 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.196 -16.676 -4.330 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.475 -15.583 -2.970 1.00 0.00 H new ATOM 1412 N GLN A 89 -1.225 -13.115 -8.711 1.00 0.00 N ATOM 1413 CA GLN A 89 -0.835 -13.419 -10.090 1.00 0.00 C ATOM 1414 C GLN A 89 0.354 -14.367 -10.114 1.00 0.00 C ATOM 1415 O GLN A 89 1.048 -14.502 -11.126 1.00 0.00 O ATOM 1416 CB GLN A 89 -0.507 -12.135 -10.847 1.00 0.00 C ATOM 1417 CG GLN A 89 -1.737 -11.371 -11.288 1.00 0.00 C ATOM 1418 CD GLN A 89 -2.583 -12.164 -12.263 1.00 0.00 C ATOM 1419 OE1 GLN A 89 -2.071 -12.965 -13.041 1.00 0.00 O ATOM 1420 NE2 GLN A 89 -3.880 -11.958 -12.220 1.00 0.00 N ATOM 0 H GLN A 89 -0.550 -12.539 -8.209 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.675 -13.908 -10.584 1.00 0.00 H new ATOM 0 HB2 GLN A 89 0.103 -11.493 -10.212 1.00 0.00 H new ATOM 0 HB3 GLN A 89 0.093 -12.381 -11.723 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.336 -11.115 -10.414 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -1.433 -10.433 -11.752 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -4.268 -11.284 -11.560 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.499 -12.472 -12.847 1.00 0.00 H new ATOM 1429 N GLN A 90 0.563 -15.037 -8.994 1.00 0.00 N ATOM 1430 CA GLN A 90 1.661 -15.979 -8.810 1.00 0.00 C ATOM 1431 C GLN A 90 1.672 -17.058 -9.894 1.00 0.00 C ATOM 1432 O GLN A 90 0.720 -17.823 -10.040 1.00 0.00 O ATOM 1433 CB GLN A 90 1.544 -16.615 -7.426 1.00 0.00 C ATOM 1434 CG GLN A 90 2.520 -17.748 -7.160 1.00 0.00 C ATOM 1435 CD GLN A 90 2.324 -18.370 -5.793 1.00 0.00 C ATOM 1436 OE1 GLN A 90 1.103 -18.327 -5.290 1.00 0.00 O flip ATOM 1437 NE2 GLN A 90 3.264 -18.881 -5.193 1.00 0.00 N flip ATOM 0 H GLN A 90 -0.033 -14.942 -8.172 1.00 0.00 H new ATOM 0 HA GLN A 90 2.602 -15.435 -8.891 1.00 0.00 H new ATOM 0 HB2 GLN A 90 1.693 -15.842 -6.673 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.529 -16.992 -7.299 1.00 0.00 H new ATOM 0 HG2 GLN A 90 2.400 -18.515 -7.926 1.00 0.00 H new ATOM 0 HG3 GLN A 90 3.540 -17.372 -7.242 1.00 0.00 H new ATOM 0 HE21 GLN A 90 4.192 -18.894 -5.616 1.00 0.00 H new ATOM 0 HE22 GLN A 90 3.117 -19.293 -4.271 1.00 0.00 H new ATOM 1446 N THR A 91 2.763 -17.123 -10.641 1.00 0.00 N ATOM 1447 CA THR A 91 2.924 -18.102 -11.711 1.00 0.00 C ATOM 1448 C THR A 91 3.729 -19.316 -11.216 1.00 0.00 C ATOM 1449 O THR A 91 4.453 -19.970 -11.974 1.00 0.00 O ATOM 1450 CB THR A 91 3.626 -17.462 -12.945 1.00 0.00 C ATOM 1451 OG1 THR A 91 3.801 -18.437 -13.989 1.00 0.00 O ATOM 1452 CG2 THR A 91 4.981 -16.874 -12.564 1.00 0.00 C ATOM 0 H THR A 91 3.563 -16.500 -10.525 1.00 0.00 H new ATOM 0 HA THR A 91 1.932 -18.438 -12.013 1.00 0.00 H new ATOM 0 HB THR A 91 2.986 -16.657 -13.308 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.165 -19.263 -13.608 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.448 -16.434 -13.445 1.00 0.00 H new ATOM 0 HG22 THR A 91 4.843 -16.105 -11.804 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.622 -17.663 -12.169 1.00 0.00 H new ATOM 1460 N GLY A 92 3.560 -19.644 -9.955 1.00 0.00 N ATOM 1461 CA GLY A 92 4.294 -20.739 -9.365 1.00 0.00 C ATOM 1462 C GLY A 92 3.647 -21.214 -8.093 1.00 0.00 C ATOM 1463 O GLY A 92 4.317 -21.465 -7.094 1.00 0.00 O ATOM 0 H GLY A 92 2.921 -19.168 -9.319 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.352 -21.564 -10.075 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.317 -20.424 -9.159 1.00 0.00 H new ATOM 1467 N GLY A 93 2.334 -21.333 -8.116 1.00 0.00 N ATOM 1468 CA GLY A 93 1.613 -21.762 -6.949 1.00 0.00 C ATOM 1469 C GLY A 93 0.173 -22.050 -7.267 1.00 0.00 C ATOM 1470 O GLY A 93 -0.348 -21.461 -8.236 1.00 0.00 O ATOM 1471 OXT GLY A 93 -0.453 -22.857 -6.554 1.00 0.00 O ATOM 0 H GLY A 93 1.752 -21.138 -8.931 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.082 -22.656 -6.538 1.00 0.00 H new ATOM 0 HA3 GLY A 93 1.670 -20.991 -6.181 1.00 0.00 H new TER 1475 GLY A 93