USER MOD reduce.3.24.130724 H: found=0, std=0, add=274, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 274 hydrogens (57 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: X 13 LYS HZ1 : X 13 LYS NZ : X 101 GGL CD :(NH2R) USER MOD NoAdj-H: X 13 LYS HZ2 : X 13 LYS NZ : X 101 GGL CD :(NH2R) USER MOD NoAdj-H: X 101 GGL HXT : X 101 GGL OXT : X 101 GGL C :(short bond) USER MOD NoAdj-H: X 101 GGL H2 : X 101 GGL N : X 102 GGL CD :(H bumps) USER MOD NoAdj-H: X 101 GGL H : X 101 GGL N : X 102 GGL CD :(H bumps) USER MOD NoAdj-H: X 102 GGL HXT : X 102 GGL OXT : X 102 GGL C :(short bond) USER MOD NoAdj-H: X 102 GGL H : X 102 GGL N : X 103 PLM C1 :(H bumps) USER MOD Single : X 1 HIS : no HD1:sc= 0.327 K(o=0.33,f=-2.4!) USER MOD Single : X 1 HIS N :NH3+ -162:sc= 0.614 (180deg=0.408) USER MOD Single : X 3 GLN : amide:sc= -3.8! C(o=-3.8!,f=-2.6!) USER MOD Single : X 5 THR OG1 : rot -19:sc= 0.0565! USER MOD Single : X 7 THR OG1 : rot -4:sc= 0.606 USER MOD Single : X 8 SER OG : rot -110:sc= 1.06 USER MOD Single : X 10 TYR OH : rot 105:sc= 0.0448 USER MOD Single : X 11 SER OG : rot 180:sc= 0 USER MOD Single : X 12 LYS NZ :NH3+ -174:sc= -3.99! (180deg=-4.14!) USER MOD Single : X 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 24 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : X 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : X 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 29 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS X 1 18.773 -28.160 6.229 1.00 0.00 N ATOM 2 CA HIS X 1 19.621 -27.539 5.172 1.00 0.00 C ATOM 3 C HIS X 1 20.682 -26.674 5.797 1.00 0.00 C ATOM 4 O HIS X 1 20.623 -26.339 6.979 1.00 0.00 O ATOM 5 CB HIS X 1 18.767 -26.660 4.257 1.00 0.00 C ATOM 6 CG HIS X 1 18.381 -25.403 4.983 1.00 0.00 C ATOM 7 ND1 HIS X 1 17.662 -25.416 6.168 1.00 0.00 N ATOM 8 CD2 HIS X 1 18.621 -24.081 4.704 1.00 0.00 C ATOM 9 CE1 HIS X 1 17.497 -24.136 6.555 1.00 0.00 C ATOM 10 NE2 HIS X 1 18.063 -23.283 5.697 1.00 0.00 N ATOM 0 H1 HIS X 1 18.258 -28.970 5.829 1.00 0.00 H new ATOM 0 H2 HIS X 1 19.376 -28.485 7.012 1.00 0.00 H new ATOM 0 H3 HIS X 1 18.092 -27.459 6.585 1.00 0.00 H new ATOM 0 HA HIS X 1 20.083 -28.341 4.596 1.00 0.00 H new ATOM 0 HB2 HIS X 1 19.322 -26.413 3.352 1.00 0.00 H new ATOM 0 HB3 HIS X 1 17.874 -27.201 3.946 1.00 0.00 H new ATOM 0 HD2 HIS X 1 19.162 -23.715 3.843 1.00 0.00 H new ATOM 0 HE1 HIS X 1 16.971 -23.836 7.450 1.00 0.00 H new ATOM 0 HE2 HIS X 1 18.082 -22.265 5.757 1.00 0.00 H new HETATM 20 N AIB X 2 21.621 -26.291 4.951 1.00 0.00 N HETATM 21 CA AIB X 2 22.705 -25.414 5.328 1.00 0.00 C HETATM 22 C AIB X 2 23.117 -24.642 4.116 1.00 0.00 C HETATM 23 O AIB X 2 24.277 -24.675 3.704 1.00 0.00 O HETATM 24 CB1 AIB X 2 23.908 -26.157 5.854 1.00 0.00 C HETATM 25 CB2 AIB X 2 22.236 -24.414 6.383 1.00 0.00 C HETATM 0 H AIB X 2 21.649 -26.585 3.975 1.00 0.00 H new HETATM 0 HB11 AIB X 2 24.688 -25.444 6.120 1.00 0.00 H new HETATM 0 HB12 AIB X 2 23.624 -26.731 6.736 1.00 0.00 H new HETATM 0 HB13 AIB X 2 24.282 -26.834 5.086 1.00 0.00 H new HETATM 0 HB21 AIB X 2 23.063 -23.760 6.657 1.00 0.00 H new HETATM 0 HB22 AIB X 2 21.419 -23.816 5.980 1.00 0.00 H new HETATM 0 HB23 AIB X 2 21.891 -24.952 7.266 1.00 0.00 H new ATOM 33 N GLN X 3 22.128 -23.952 3.578 1.00 0.00 N ATOM 34 CA GLN X 3 22.282 -23.092 2.414 1.00 0.00 C ATOM 35 C GLN X 3 23.721 -22.724 2.190 1.00 0.00 C ATOM 36 O GLN X 3 24.236 -22.691 1.073 1.00 0.00 O ATOM 37 CB GLN X 3 21.509 -21.806 2.664 1.00 0.00 C ATOM 38 CG GLN X 3 21.409 -21.557 4.168 1.00 0.00 C ATOM 39 CD GLN X 3 20.647 -20.266 4.445 1.00 0.00 C ATOM 40 OE1 GLN X 3 20.758 -19.698 5.532 1.00 0.00 O ATOM 41 NE2 GLN X 3 19.874 -19.765 3.520 1.00 0.00 N ATOM 0 H GLN X 3 21.176 -23.973 3.943 1.00 0.00 H new ATOM 0 HA GLN X 3 21.913 -23.628 1.540 1.00 0.00 H new ATOM 0 HB2 GLN X 3 22.009 -20.968 2.178 1.00 0.00 H new ATOM 0 HB3 GLN X 3 20.512 -21.878 2.229 1.00 0.00 H new ATOM 0 HG2 GLN X 3 20.904 -22.395 4.649 1.00 0.00 H new ATOM 0 HG3 GLN X 3 22.408 -21.497 4.600 1.00 0.00 H new ATOM 0 HE21 GLN X 3 19.783 -20.237 2.620 1.00 0.00 H new ATOM 0 HE22 GLN X 3 19.361 -18.902 3.697 1.00 0.00 H new ATOM 50 N GLY X 4 24.334 -22.454 3.300 1.00 0.00 N ATOM 51 CA GLY X 4 25.734 -22.073 3.350 1.00 0.00 C ATOM 52 C GLY X 4 25.923 -20.686 2.774 1.00 0.00 C ATOM 53 O GLY X 4 27.040 -20.195 2.631 1.00 0.00 O ATOM 0 H GLY X 4 23.882 -22.489 4.214 1.00 0.00 H new ATOM 0 HA2 GLY X 4 26.088 -22.097 4.381 1.00 0.00 H new ATOM 0 HA3 GLY X 4 26.333 -22.791 2.790 1.00 0.00 H new ATOM 57 N THR X 5 24.805 -20.052 2.485 1.00 0.00 N ATOM 58 CA THR X 5 24.790 -18.702 1.954 1.00 0.00 C ATOM 59 C THR X 5 25.693 -17.815 2.757 1.00 0.00 C ATOM 60 O THR X 5 26.046 -16.708 2.349 1.00 0.00 O ATOM 61 CB THR X 5 23.372 -18.175 2.021 1.00 0.00 C ATOM 62 OG1 THR X 5 23.355 -16.789 1.712 1.00 0.00 O ATOM 63 CG2 THR X 5 22.809 -18.405 3.421 1.00 0.00 C ATOM 0 H THR X 5 23.878 -20.458 2.612 1.00 0.00 H new ATOM 0 HA THR X 5 25.143 -18.712 0.923 1.00 0.00 H new ATOM 0 HB THR X 5 22.756 -18.704 1.294 1.00 0.00 H new ATOM 0 HG1 THR X 5 24.256 -16.419 1.818 1.00 0.00 H new ATOM 0 HG21 THR X 5 21.788 -18.026 3.470 1.00 0.00 H new ATOM 0 HG22 THR X 5 22.811 -19.472 3.643 1.00 0.00 H new ATOM 0 HG23 THR X 5 23.426 -17.882 4.152 1.00 0.00 H new ATOM 71 N PHE X 6 26.027 -18.320 3.908 1.00 0.00 N ATOM 72 CA PHE X 6 26.866 -17.600 4.835 1.00 0.00 C ATOM 73 C PHE X 6 28.177 -18.317 5.116 1.00 0.00 C ATOM 74 O PHE X 6 29.248 -17.854 4.726 1.00 0.00 O ATOM 75 CB PHE X 6 26.071 -17.368 6.113 1.00 0.00 C ATOM 76 CG PHE X 6 25.761 -18.664 6.824 1.00 0.00 C ATOM 77 CD1 PHE X 6 24.821 -19.525 6.275 1.00 0.00 C ATOM 78 CD2 PHE X 6 26.383 -18.991 8.033 1.00 0.00 C ATOM 79 CE1 PHE X 6 24.483 -20.710 6.910 1.00 0.00 C ATOM 80 CE2 PHE X 6 26.053 -20.191 8.682 1.00 0.00 C ATOM 81 CZ PHE X 6 25.097 -21.051 8.120 1.00 0.00 C ATOM 0 H PHE X 6 25.729 -19.239 4.235 1.00 0.00 H new ATOM 0 HA PHE X 6 27.147 -16.646 4.390 1.00 0.00 H new ATOM 0 HB2 PHE X 6 26.635 -16.714 6.778 1.00 0.00 H new ATOM 0 HB3 PHE X 6 25.141 -16.853 5.874 1.00 0.00 H new ATOM 0 HD1 PHE X 6 24.346 -19.268 5.340 1.00 0.00 H new ATOM 0 HD2 PHE X 6 27.114 -18.323 8.465 1.00 0.00 H new ATOM 0 HE1 PHE X 6 23.748 -21.368 6.472 1.00 0.00 H new ATOM 0 HE2 PHE X 6 26.534 -20.452 9.613 1.00 0.00 H new ATOM 0 HZ PHE X 6 24.836 -21.972 8.620 1.00 0.00 H new ATOM 91 N THR X 7 28.079 -19.426 5.798 1.00 0.00 N ATOM 92 CA THR X 7 29.260 -20.209 6.161 1.00 0.00 C ATOM 93 C THR X 7 30.006 -20.717 4.938 1.00 0.00 C ATOM 94 O THR X 7 30.978 -21.463 5.059 1.00 0.00 O ATOM 95 CB THR X 7 28.869 -21.371 7.053 1.00 0.00 C ATOM 96 OG1 THR X 7 29.983 -22.231 7.249 1.00 0.00 O ATOM 97 CG2 THR X 7 27.749 -22.115 6.390 1.00 0.00 C ATOM 0 H THR X 7 27.196 -19.820 6.121 1.00 0.00 H new ATOM 0 HA THR X 7 29.933 -19.547 6.705 1.00 0.00 H new ATOM 0 HB THR X 7 28.547 -21.005 8.028 1.00 0.00 H new ATOM 0 HG1 THR X 7 30.740 -21.912 6.715 1.00 0.00 H new ATOM 0 HG21 THR X 7 27.451 -22.957 7.015 1.00 0.00 H new ATOM 0 HG22 THR X 7 26.899 -21.446 6.253 1.00 0.00 H new ATOM 0 HG23 THR X 7 28.081 -22.484 5.420 1.00 0.00 H new ATOM 105 N SER X 8 29.566 -20.295 3.766 1.00 0.00 N ATOM 106 CA SER X 8 30.226 -20.701 2.535 1.00 0.00 C ATOM 107 C SER X 8 31.591 -20.054 2.453 1.00 0.00 C ATOM 108 O SER X 8 32.520 -20.462 3.132 1.00 0.00 O ATOM 109 CB SER X 8 29.384 -20.310 1.317 1.00 0.00 C ATOM 110 OG SER X 8 28.793 -19.038 1.541 1.00 0.00 O ATOM 0 H SER X 8 28.764 -19.678 3.639 1.00 0.00 H new ATOM 0 HA SER X 8 30.340 -21.785 2.539 1.00 0.00 H new ATOM 0 HB2 SER X 8 30.008 -20.281 0.424 1.00 0.00 H new ATOM 0 HB3 SER X 8 28.610 -21.057 1.141 1.00 0.00 H new ATOM 0 HG SER X 8 27.826 -19.143 1.662 1.00 0.00 H new ATOM 116 N ASP X 9 31.669 -19.050 1.611 1.00 0.00 N ATOM 117 CA ASP X 9 32.885 -18.274 1.375 1.00 0.00 C ATOM 118 C ASP X 9 34.016 -18.549 2.376 1.00 0.00 C ATOM 119 O ASP X 9 35.144 -18.830 1.969 1.00 0.00 O ATOM 120 CB ASP X 9 32.517 -16.807 1.438 1.00 0.00 C ATOM 121 CG ASP X 9 33.740 -15.971 1.804 1.00 0.00 C ATOM 122 OD1 ASP X 9 34.816 -16.290 1.327 1.00 0.00 O ATOM 123 OD2 ASP X 9 33.581 -15.020 2.552 1.00 0.00 O ATOM 0 H ASP X 9 30.875 -18.735 1.053 1.00 0.00 H new ATOM 0 HA ASP X 9 33.271 -18.570 0.399 1.00 0.00 H new ATOM 0 HB2 ASP X 9 32.121 -16.483 0.476 1.00 0.00 H new ATOM 0 HB3 ASP X 9 31.729 -16.654 2.175 1.00 0.00 H new ATOM 128 N TYR X 10 33.727 -18.455 3.678 1.00 0.00 N ATOM 129 CA TYR X 10 34.763 -18.684 4.685 1.00 0.00 C ATOM 130 C TYR X 10 35.233 -20.124 4.605 1.00 0.00 C ATOM 131 O TYR X 10 36.429 -20.408 4.549 1.00 0.00 O ATOM 132 CB TYR X 10 34.236 -18.395 6.099 1.00 0.00 C ATOM 133 CG TYR X 10 32.979 -17.554 6.036 1.00 0.00 C ATOM 134 CD1 TYR X 10 32.923 -16.429 5.205 1.00 0.00 C ATOM 135 CD2 TYR X 10 31.868 -17.901 6.817 1.00 0.00 C ATOM 136 CE1 TYR X 10 31.758 -15.654 5.152 1.00 0.00 C ATOM 137 CE2 TYR X 10 30.701 -17.127 6.765 1.00 0.00 C ATOM 138 CZ TYR X 10 30.646 -16.004 5.931 1.00 0.00 C ATOM 139 OH TYR X 10 29.500 -15.238 5.877 1.00 0.00 O ATOM 0 H TYR X 10 32.806 -18.227 4.052 1.00 0.00 H new ATOM 0 HA TYR X 10 35.593 -18.007 4.484 1.00 0.00 H new ATOM 0 HB2 TYR X 10 34.028 -19.333 6.614 1.00 0.00 H new ATOM 0 HB3 TYR X 10 34.999 -17.876 6.679 1.00 0.00 H new ATOM 0 HD1 TYR X 10 33.779 -16.159 4.604 1.00 0.00 H new ATOM 0 HD2 TYR X 10 31.911 -18.767 7.461 1.00 0.00 H new ATOM 0 HE1 TYR X 10 31.716 -14.786 4.511 1.00 0.00 H new ATOM 0 HE2 TYR X 10 29.846 -17.396 7.367 1.00 0.00 H new ATOM 0 HH TYR X 10 28.816 -15.708 5.355 1.00 0.00 H new ATOM 149 N SER X 11 34.265 -21.019 4.581 1.00 0.00 N ATOM 150 CA SER X 11 34.530 -22.438 4.485 1.00 0.00 C ATOM 151 C SER X 11 34.815 -22.820 3.036 1.00 0.00 C ATOM 152 O SER X 11 35.465 -23.829 2.763 1.00 0.00 O ATOM 153 CB SER X 11 33.304 -23.192 4.983 1.00 0.00 C ATOM 154 OG SER X 11 33.622 -24.569 5.138 1.00 0.00 O ATOM 0 H SER X 11 33.274 -20.782 4.628 1.00 0.00 H new ATOM 0 HA SER X 11 35.400 -22.694 5.089 1.00 0.00 H new ATOM 0 HB2 SER X 11 32.970 -22.776 5.934 1.00 0.00 H new ATOM 0 HB3 SER X 11 32.481 -23.075 4.277 1.00 0.00 H new ATOM 0 HG SER X 11 32.833 -25.053 5.460 1.00 0.00 H new ATOM 160 N LYS X 12 34.312 -22.004 2.109 1.00 0.00 N ATOM 161 CA LYS X 12 34.506 -22.259 0.690 1.00 0.00 C ATOM 162 C LYS X 12 35.760 -21.563 0.171 1.00 0.00 C ATOM 163 O LYS X 12 36.851 -22.134 0.183 1.00 0.00 O ATOM 164 CB LYS X 12 33.298 -21.746 -0.107 1.00 0.00 C ATOM 165 CG LYS X 12 32.211 -22.822 -0.208 1.00 0.00 C ATOM 166 CD LYS X 12 32.566 -23.841 -1.304 1.00 0.00 C ATOM 167 CE LYS X 12 31.332 -24.664 -1.676 1.00 0.00 C ATOM 168 NZ LYS X 12 30.909 -24.312 -3.061 1.00 0.00 N ATOM 0 H LYS X 12 33.770 -21.166 2.319 1.00 0.00 H new ATOM 0 HA LYS X 12 34.615 -23.336 0.561 1.00 0.00 H new ATOM 0 HB2 LYS X 12 32.891 -20.857 0.374 1.00 0.00 H new ATOM 0 HB3 LYS X 12 33.616 -21.450 -1.107 1.00 0.00 H new ATOM 0 HG2 LYS X 12 32.104 -23.331 0.750 1.00 0.00 H new ATOM 0 HG3 LYS X 12 31.250 -22.358 -0.431 1.00 0.00 H new ATOM 0 HD2 LYS X 12 32.946 -23.322 -2.184 1.00 0.00 H new ATOM 0 HD3 LYS X 12 33.361 -24.500 -0.955 1.00 0.00 H new ATOM 0 HE2 LYS X 12 31.557 -25.729 -1.611 1.00 0.00 H new ATOM 0 HE3 LYS X 12 30.522 -24.466 -0.974 1.00 0.00 H new ATOM 0 HZ1 LYS X 12 30.013 -24.791 -3.283 1.00 0.00 H new ATOM 0 HZ2 LYS X 12 30.778 -23.283 -3.133 1.00 0.00 H new ATOM 0 HZ3 LYS X 12 31.640 -24.616 -3.735 1.00 0.00 H new ATOM 182 N LYS X 13 35.585 -20.334 -0.311 1.00 0.00 N ATOM 183 CA LYS X 13 36.699 -19.572 -0.868 1.00 0.00 C ATOM 184 C LYS X 13 36.458 -18.072 -0.739 1.00 0.00 C ATOM 185 O LYS X 13 36.990 -17.421 0.160 1.00 0.00 O ATOM 186 CB LYS X 13 36.862 -19.911 -2.352 1.00 0.00 C ATOM 187 CG LYS X 13 35.604 -20.639 -2.839 1.00 0.00 C ATOM 188 CD LYS X 13 35.615 -20.776 -4.364 1.00 0.00 C ATOM 189 CE LYS X 13 34.402 -21.610 -4.810 1.00 0.00 C ATOM 190 NZ LYS X 13 33.194 -20.794 -4.826 1.00 0.00 N ATOM 0 H LYS X 13 34.688 -19.848 -0.327 1.00 0.00 H new ATOM 0 HA LYS X 13 37.598 -19.838 -0.312 1.00 0.00 H new ATOM 0 HB2 LYS X 13 37.018 -19.001 -2.931 1.00 0.00 H new ATOM 0 HB3 LYS X 13 37.741 -20.538 -2.501 1.00 0.00 H new ATOM 0 HG2 LYS X 13 35.549 -21.626 -2.380 1.00 0.00 H new ATOM 0 HG3 LYS X 13 34.716 -20.091 -2.524 1.00 0.00 H new ATOM 0 HD2 LYS X 13 35.584 -19.791 -4.829 1.00 0.00 H new ATOM 0 HD3 LYS X 13 36.539 -21.254 -4.691 1.00 0.00 H new ATOM 0 HE2 LYS X 13 34.582 -22.021 -5.803 1.00 0.00 H new ATOM 0 HE3 LYS X 13 34.267 -22.455 -4.135 1.00 0.00 H new ATOM 0 HZ3 LYS X 13 32.387 -21.375 -5.130 1.00 0.00 H new ATOM 202 N LEU X 14 35.672 -17.532 -1.671 1.00 0.00 N ATOM 203 CA LEU X 14 35.380 -16.108 -1.686 1.00 0.00 C ATOM 204 C LEU X 14 33.876 -15.865 -1.806 1.00 0.00 C ATOM 205 O LEU X 14 33.168 -16.624 -2.463 1.00 0.00 O ATOM 206 CB LEU X 14 36.117 -15.458 -2.865 1.00 0.00 C ATOM 207 CG LEU X 14 35.812 -13.956 -2.936 1.00 0.00 C ATOM 208 CD1 LEU X 14 36.266 -13.272 -1.645 1.00 0.00 C ATOM 209 CD2 LEU X 14 36.569 -13.344 -4.116 1.00 0.00 C ATOM 0 H LEU X 14 35.229 -18.062 -2.422 1.00 0.00 H new ATOM 0 HA LEU X 14 35.719 -15.664 -0.750 1.00 0.00 H new ATOM 0 HB2 LEU X 14 37.191 -15.611 -2.758 1.00 0.00 H new ATOM 0 HB3 LEU X 14 35.818 -15.939 -3.796 1.00 0.00 H new ATOM 0 HG LEU X 14 34.739 -13.813 -3.065 1.00 0.00 H new ATOM 0 HD11 LEU X 14 36.047 -12.206 -1.702 1.00 0.00 H new ATOM 0 HD12 LEU X 14 35.737 -13.707 -0.797 1.00 0.00 H new ATOM 0 HD13 LEU X 14 37.339 -13.415 -1.515 1.00 0.00 H new ATOM 0 HD21 LEU X 14 36.356 -12.277 -4.171 1.00 0.00 H new ATOM 0 HD22 LEU X 14 37.640 -13.493 -3.978 1.00 0.00 H new ATOM 0 HD23 LEU X 14 36.252 -13.825 -5.041 1.00 0.00 H new ATOM 221 N ASP X 15 33.391 -14.797 -1.175 1.00 0.00 N ATOM 222 CA ASP X 15 31.968 -14.475 -1.235 1.00 0.00 C ATOM 223 C ASP X 15 31.697 -13.429 -2.313 1.00 0.00 C ATOM 224 O ASP X 15 30.797 -13.593 -3.137 1.00 0.00 O ATOM 225 CB ASP X 15 31.491 -13.936 0.116 1.00 0.00 C ATOM 226 CG ASP X 15 30.251 -14.697 0.571 1.00 0.00 C ATOM 227 OD1 ASP X 15 29.416 -14.985 -0.271 1.00 0.00 O ATOM 228 OD2 ASP X 15 30.155 -14.983 1.753 1.00 0.00 O ATOM 0 H ASP X 15 33.954 -14.149 -0.624 1.00 0.00 H new ATOM 0 HA ASP X 15 31.425 -15.388 -1.478 1.00 0.00 H new ATOM 0 HB2 ASP X 15 32.283 -14.038 0.858 1.00 0.00 H new ATOM 0 HB3 ASP X 15 31.266 -12.873 0.034 1.00 0.00 H new HETATM 233 N AIB X 16 32.474 -12.351 -2.294 1.00 0.00 N HETATM 234 CA AIB X 16 32.304 -11.277 -3.265 1.00 0.00 C HETATM 235 C AIB X 16 32.905 -11.659 -4.614 1.00 0.00 C HETATM 236 O AIB X 16 33.519 -10.828 -5.283 1.00 0.00 O HETATM 237 CB1 AIB X 16 30.813 -10.980 -3.445 1.00 0.00 C HETATM 238 CB2 AIB X 16 32.992 -10.011 -2.752 1.00 0.00 C HETATM 0 H AIB X 16 33.224 -12.198 -1.620 1.00 0.00 H new HETATM 0 HB11 AIB X 16 30.687 -10.177 -4.171 1.00 0.00 H new HETATM 0 HB12 AIB X 16 30.304 -11.875 -3.802 1.00 0.00 H new HETATM 0 HB13 AIB X 16 30.385 -10.676 -2.490 1.00 0.00 H new HETATM 0 HB21 AIB X 16 32.865 -9.208 -3.478 1.00 0.00 H new HETATM 0 HB22 AIB X 16 32.547 -9.715 -1.802 1.00 0.00 H new HETATM 0 HB23 AIB X 16 34.055 -10.207 -2.610 1.00 0.00 H new ATOM 246 N ARG X 17 32.715 -12.915 -5.016 1.00 0.00 N ATOM 247 CA ARG X 17 33.239 -13.381 -6.296 1.00 0.00 C ATOM 248 C ARG X 17 32.114 -13.505 -7.319 1.00 0.00 C ATOM 249 O ARG X 17 32.350 -13.457 -8.527 1.00 0.00 O ATOM 250 CB ARG X 17 33.932 -14.735 -6.130 1.00 0.00 C ATOM 251 CG ARG X 17 32.923 -15.787 -5.666 1.00 0.00 C ATOM 252 CD ARG X 17 32.737 -16.825 -6.770 1.00 0.00 C ATOM 253 NE ARG X 17 31.703 -17.783 -6.395 1.00 0.00 N ATOM 254 CZ ARG X 17 31.551 -18.924 -7.062 1.00 0.00 C ATOM 255 NH1 ARG X 17 32.334 -19.201 -8.068 1.00 0.00 N ATOM 256 NH2 ARG X 17 30.616 -19.764 -6.709 1.00 0.00 N ATOM 0 H ARG X 17 32.208 -13.620 -4.480 1.00 0.00 H new ATOM 0 HA ARG X 17 33.966 -12.651 -6.652 1.00 0.00 H new ATOM 0 HB2 ARG X 17 34.380 -15.041 -7.075 1.00 0.00 H new ATOM 0 HB3 ARG X 17 34.742 -14.652 -5.405 1.00 0.00 H new ATOM 0 HG2 ARG X 17 33.275 -16.268 -4.753 1.00 0.00 H new ATOM 0 HG3 ARG X 17 31.969 -15.315 -5.430 1.00 0.00 H new ATOM 0 HD2 ARG X 17 32.463 -16.330 -7.702 1.00 0.00 H new ATOM 0 HD3 ARG X 17 33.677 -17.346 -6.951 1.00 0.00 H new ATOM 0 HE ARG X 17 31.087 -17.575 -5.609 1.00 0.00 H new ATOM 0 HH11 ARG X 17 33.063 -18.543 -8.343 1.00 0.00 H new ATOM 0 HH12 ARG X 17 32.217 -20.076 -8.579 1.00 0.00 H new ATOM 0 HH21 ARG X 17 30.004 -19.545 -5.923 1.00 0.00 H new ATOM 0 HH22 ARG X 17 30.498 -20.639 -7.219 1.00 0.00 H new ATOM 270 N ARG X 18 30.890 -13.664 -6.825 1.00 0.00 N ATOM 271 CA ARG X 18 29.732 -13.792 -7.701 1.00 0.00 C ATOM 272 C ARG X 18 29.189 -12.418 -8.068 1.00 0.00 C ATOM 273 O ARG X 18 27.992 -12.255 -8.309 1.00 0.00 O ATOM 274 CB ARG X 18 28.643 -14.609 -7.006 1.00 0.00 C ATOM 275 CG ARG X 18 29.038 -16.097 -7.030 1.00 0.00 C ATOM 276 CD ARG X 18 28.684 -16.784 -5.705 1.00 0.00 C ATOM 277 NE ARG X 18 27.247 -17.001 -5.631 1.00 0.00 N ATOM 278 CZ ARG X 18 26.685 -18.089 -6.154 1.00 0.00 C ATOM 279 NH1 ARG X 18 27.421 -18.978 -6.762 1.00 0.00 N ATOM 280 NH2 ARG X 18 25.396 -18.264 -6.063 1.00 0.00 N ATOM 0 H ARG X 18 30.676 -13.707 -5.829 1.00 0.00 H new ATOM 0 HA ARG X 18 30.040 -14.303 -8.613 1.00 0.00 H new ATOM 0 HB2 ARG X 18 28.517 -14.270 -5.978 1.00 0.00 H new ATOM 0 HB3 ARG X 18 27.687 -14.466 -7.509 1.00 0.00 H new ATOM 0 HG2 ARG X 18 28.527 -16.599 -7.851 1.00 0.00 H new ATOM 0 HG3 ARG X 18 30.108 -16.189 -7.217 1.00 0.00 H new ATOM 0 HD2 ARG X 18 29.209 -17.736 -5.627 1.00 0.00 H new ATOM 0 HD3 ARG X 18 29.012 -16.169 -4.867 1.00 0.00 H new ATOM 0 HE ARG X 18 26.659 -16.307 -5.170 1.00 0.00 H new ATOM 0 HH11 ARG X 18 28.429 -18.840 -6.837 1.00 0.00 H new ATOM 0 HH12 ARG X 18 26.989 -19.811 -7.162 1.00 0.00 H new ATOM 0 HH21 ARG X 18 24.819 -17.568 -5.591 1.00 0.00 H new ATOM 0 HH22 ARG X 18 24.965 -19.097 -6.463 1.00 0.00 H new ATOM 294 N ALA X 19 30.077 -11.430 -8.106 1.00 0.00 N ATOM 295 CA ALA X 19 29.677 -10.072 -8.441 1.00 0.00 C ATOM 296 C ALA X 19 28.933 -9.433 -7.275 1.00 0.00 C ATOM 297 O ALA X 19 29.251 -8.313 -6.884 1.00 0.00 O ATOM 298 CB ALA X 19 28.780 -10.080 -9.681 1.00 0.00 C ATOM 0 H ALA X 19 31.071 -11.545 -7.910 1.00 0.00 H new ATOM 0 HA ALA X 19 30.574 -9.489 -8.649 1.00 0.00 H new ATOM 0 HB1 ALA X 19 28.486 -9.059 -9.924 1.00 0.00 H new ATOM 0 HB2 ALA X 19 29.325 -10.510 -10.521 1.00 0.00 H new ATOM 0 HB3 ALA X 19 27.890 -10.677 -9.482 1.00 0.00 H new ATOM 304 N GLN X 20 27.943 -10.175 -6.750 1.00 0.00 N ATOM 305 CA GLN X 20 27.095 -9.746 -5.621 1.00 0.00 C ATOM 306 C GLN X 20 25.642 -10.004 -5.986 1.00 0.00 C ATOM 307 O GLN X 20 24.806 -9.104 -5.965 1.00 0.00 O ATOM 308 CB GLN X 20 27.284 -8.261 -5.262 1.00 0.00 C ATOM 309 CG GLN X 20 26.258 -7.845 -4.201 1.00 0.00 C ATOM 310 CD GLN X 20 26.932 -6.993 -3.132 1.00 0.00 C ATOM 311 OE1 GLN X 20 27.302 -7.502 -2.073 1.00 0.00 O ATOM 312 NE2 GLN X 20 27.116 -5.719 -3.345 1.00 0.00 N ATOM 0 H GLN X 20 27.705 -11.102 -7.102 1.00 0.00 H new ATOM 0 HA GLN X 20 27.389 -10.320 -4.742 1.00 0.00 H new ATOM 0 HB2 GLN X 20 28.294 -8.094 -4.888 1.00 0.00 H new ATOM 0 HB3 GLN X 20 27.168 -7.645 -6.154 1.00 0.00 H new ATOM 0 HG2 GLN X 20 25.447 -7.285 -4.667 1.00 0.00 H new ATOM 0 HG3 GLN X 20 25.814 -8.730 -3.746 1.00 0.00 H new ATOM 0 HE21 GLN X 20 26.809 -5.299 -4.222 1.00 0.00 H new ATOM 0 HE22 GLN X 20 27.567 -5.143 -2.634 1.00 0.00 H new ATOM 321 N ASP X 21 25.362 -11.248 -6.346 1.00 0.00 N ATOM 322 CA ASP X 21 24.021 -11.644 -6.743 1.00 0.00 C ATOM 323 C ASP X 21 23.661 -12.983 -6.113 1.00 0.00 C ATOM 324 O ASP X 21 22.530 -13.194 -5.663 1.00 0.00 O ATOM 325 CB ASP X 21 23.974 -11.769 -8.264 1.00 0.00 C ATOM 326 CG ASP X 21 22.992 -10.755 -8.842 1.00 0.00 C ATOM 327 OD1 ASP X 21 23.301 -9.575 -8.807 1.00 0.00 O ATOM 328 OD2 ASP X 21 21.947 -11.172 -9.312 1.00 0.00 O ATOM 0 H ASP X 21 26.049 -12.002 -6.371 1.00 0.00 H new ATOM 0 HA ASP X 21 23.306 -10.893 -6.406 1.00 0.00 H new ATOM 0 HB2 ASP X 21 24.967 -11.604 -8.681 1.00 0.00 H new ATOM 0 HB3 ASP X 21 23.674 -12.779 -8.545 1.00 0.00 H new ATOM 333 N PHE X 22 24.647 -13.876 -6.093 1.00 0.00 N ATOM 334 CA PHE X 22 24.482 -15.216 -5.543 1.00 0.00 C ATOM 335 C PHE X 22 23.069 -15.739 -5.776 1.00 0.00 C ATOM 336 O PHE X 22 22.808 -16.398 -6.782 1.00 0.00 O ATOM 337 CB PHE X 22 24.835 -15.263 -4.046 1.00 0.00 C ATOM 338 CG PHE X 22 24.306 -14.054 -3.302 1.00 0.00 C ATOM 339 CD1 PHE X 22 24.849 -12.785 -3.539 1.00 0.00 C ATOM 340 CD2 PHE X 22 23.289 -14.211 -2.353 1.00 0.00 C ATOM 341 CE1 PHE X 22 24.372 -11.676 -2.833 1.00 0.00 C ATOM 342 CE2 PHE X 22 22.811 -13.103 -1.648 1.00 0.00 C ATOM 343 CZ PHE X 22 23.351 -11.834 -1.888 1.00 0.00 C ATOM 0 H PHE X 22 25.581 -13.690 -6.457 1.00 0.00 H new ATOM 0 HA PHE X 22 25.179 -15.867 -6.071 1.00 0.00 H new ATOM 0 HB2 PHE X 22 24.423 -16.170 -3.604 1.00 0.00 H new ATOM 0 HB3 PHE X 22 25.918 -15.316 -3.930 1.00 0.00 H new ATOM 0 HD1 PHE X 22 25.637 -12.663 -4.268 1.00 0.00 H new ATOM 0 HD2 PHE X 22 22.873 -15.190 -2.165 1.00 0.00 H new ATOM 0 HE1 PHE X 22 24.791 -10.698 -3.017 1.00 0.00 H new ATOM 0 HE2 PHE X 22 22.025 -13.226 -0.918 1.00 0.00 H new ATOM 0 HZ PHE X 22 22.980 -10.977 -1.345 1.00 0.00 H new ATOM 353 N VAL X 23 22.161 -15.444 -4.851 1.00 0.00 N ATOM 354 CA VAL X 23 20.781 -15.898 -4.983 1.00 0.00 C ATOM 355 C VAL X 23 19.865 -14.739 -5.339 1.00 0.00 C ATOM 356 O VAL X 23 18.771 -14.609 -4.791 1.00 0.00 O ATOM 357 CB VAL X 23 20.314 -16.547 -3.679 1.00 0.00 C ATOM 358 CG1 VAL X 23 21.338 -17.592 -3.232 1.00 0.00 C ATOM 359 CG2 VAL X 23 20.179 -15.474 -2.601 1.00 0.00 C ATOM 0 H VAL X 23 22.353 -14.899 -4.011 1.00 0.00 H new ATOM 0 HA VAL X 23 20.738 -16.634 -5.786 1.00 0.00 H new ATOM 0 HB VAL X 23 19.350 -17.030 -3.837 1.00 0.00 H new ATOM 0 HG11 VAL X 23 21.005 -18.054 -2.303 1.00 0.00 H new ATOM 0 HG12 VAL X 23 21.437 -18.357 -4.002 1.00 0.00 H new ATOM 0 HG13 VAL X 23 22.303 -17.111 -3.072 1.00 0.00 H new ATOM 0 HG21 VAL X 23 19.846 -15.933 -1.670 1.00 0.00 H new ATOM 0 HG22 VAL X 23 21.144 -14.993 -2.444 1.00 0.00 H new ATOM 0 HG23 VAL X 23 19.450 -14.729 -2.919 1.00 0.00 H new ATOM 369 N GLN X 24 20.322 -13.905 -6.267 1.00 0.00 N ATOM 370 CA GLN X 24 19.543 -12.756 -6.701 1.00 0.00 C ATOM 371 C GLN X 24 18.825 -12.119 -5.520 1.00 0.00 C ATOM 372 O GLN X 24 17.756 -11.530 -5.678 1.00 0.00 O ATOM 373 CB GLN X 24 18.517 -13.188 -7.751 1.00 0.00 C ATOM 374 CG GLN X 24 19.227 -13.447 -9.080 1.00 0.00 C ATOM 375 CD GLN X 24 18.211 -13.848 -10.144 1.00 0.00 C ATOM 376 OE1 GLN X 24 17.056 -14.133 -9.825 1.00 0.00 O ATOM 377 NE2 GLN X 24 18.573 -13.887 -11.397 1.00 0.00 N ATOM 0 H GLN X 24 21.225 -14.004 -6.731 1.00 0.00 H new ATOM 0 HA GLN X 24 20.223 -12.023 -7.136 1.00 0.00 H new ATOM 0 HB2 GLN X 24 18.000 -14.089 -7.421 1.00 0.00 H new ATOM 0 HB3 GLN X 24 17.760 -12.414 -7.876 1.00 0.00 H new ATOM 0 HG2 GLN X 24 19.763 -12.552 -9.396 1.00 0.00 H new ATOM 0 HG3 GLN X 24 19.969 -14.236 -8.958 1.00 0.00 H new ATOM 0 HE21 GLN X 24 19.530 -13.651 -11.659 1.00 0.00 H new ATOM 0 HE22 GLN X 24 17.899 -14.154 -12.115 1.00 0.00 H new ATOM 386 N TRP X 25 19.417 -12.234 -4.333 1.00 0.00 N ATOM 387 CA TRP X 25 18.797 -11.647 -3.143 1.00 0.00 C ATOM 388 C TRP X 25 18.719 -10.135 -3.299 1.00 0.00 C ATOM 389 O TRP X 25 18.237 -9.429 -2.415 1.00 0.00 O ATOM 390 CB TRP X 25 19.608 -11.984 -1.885 1.00 0.00 C ATOM 391 CG TRP X 25 19.064 -11.224 -0.712 1.00 0.00 C ATOM 392 CD1 TRP X 25 18.048 -11.640 0.080 1.00 0.00 C ATOM 393 CD2 TRP X 25 19.485 -9.928 -0.187 1.00 0.00 C ATOM 394 NE1 TRP X 25 17.817 -10.683 1.053 1.00 0.00 N ATOM 395 CE2 TRP X 25 18.677 -9.608 0.928 1.00 0.00 C ATOM 396 CE3 TRP X 25 20.476 -9.009 -0.571 1.00 0.00 C ATOM 397 CZ2 TRP X 25 18.849 -8.416 1.636 1.00 0.00 C ATOM 398 CZ3 TRP X 25 20.654 -7.813 0.134 1.00 0.00 C ATOM 399 CH2 TRP X 25 19.840 -7.513 1.236 1.00 0.00 C ATOM 0 H TRP X 25 20.302 -12.714 -4.169 1.00 0.00 H new ATOM 0 HA TRP X 25 17.795 -12.062 -3.037 1.00 0.00 H new ATOM 0 HB2 TRP X 25 19.563 -13.055 -1.688 1.00 0.00 H new ATOM 0 HB3 TRP X 25 20.657 -11.732 -2.039 1.00 0.00 H new ATOM 0 HD1 TRP X 25 17.506 -12.568 -0.030 1.00 0.00 H new ATOM 0 HE1 TRP X 25 17.100 -10.761 1.774 1.00 0.00 H new ATOM 0 HE3 TRP X 25 21.107 -9.228 -1.419 1.00 0.00 H new ATOM 0 HZ2 TRP X 25 18.221 -8.193 2.486 1.00 0.00 H new ATOM 0 HZ3 TRP X 25 21.422 -7.118 -0.172 1.00 0.00 H new ATOM 0 HH2 TRP X 25 19.978 -6.587 1.775 1.00 0.00 H new ATOM 410 N LEU X 26 19.215 -9.643 -4.426 1.00 0.00 N ATOM 411 CA LEU X 26 19.221 -8.215 -4.675 1.00 0.00 C ATOM 412 C LEU X 26 18.906 -7.908 -6.135 1.00 0.00 C ATOM 413 O LEU X 26 18.917 -6.750 -6.552 1.00 0.00 O ATOM 414 CB LEU X 26 20.583 -7.612 -4.269 1.00 0.00 C ATOM 415 CG LEU X 26 21.788 -8.369 -4.888 1.00 0.00 C ATOM 416 CD1 LEU X 26 21.835 -9.840 -4.438 1.00 0.00 C ATOM 417 CD2 LEU X 26 21.730 -8.314 -6.418 1.00 0.00 C ATOM 0 H LEU X 26 19.615 -10.209 -5.174 1.00 0.00 H new ATOM 0 HA LEU X 26 18.440 -7.758 -4.067 1.00 0.00 H new ATOM 0 HB2 LEU X 26 20.619 -6.568 -4.579 1.00 0.00 H new ATOM 0 HB3 LEU X 26 20.671 -7.626 -3.183 1.00 0.00 H new ATOM 0 HG LEU X 26 22.691 -7.871 -4.534 1.00 0.00 H new ATOM 0 HD11 LEU X 26 22.693 -10.333 -4.894 1.00 0.00 H new ATOM 0 HD12 LEU X 26 21.925 -9.886 -3.353 1.00 0.00 H new ATOM 0 HD13 LEU X 26 20.920 -10.345 -4.748 1.00 0.00 H new ATOM 0 HD21 LEU X 26 22.583 -8.850 -6.834 1.00 0.00 H new ATOM 0 HD22 LEU X 26 20.806 -8.778 -6.764 1.00 0.00 H new ATOM 0 HD23 LEU X 26 21.759 -7.275 -6.746 1.00 0.00 H new ATOM 429 N MET X 27 18.626 -8.954 -6.909 1.00 0.00 N ATOM 430 CA MET X 27 18.309 -8.780 -8.323 1.00 0.00 C ATOM 431 C MET X 27 16.804 -8.881 -8.550 1.00 0.00 C ATOM 432 O MET X 27 16.199 -7.996 -9.155 1.00 0.00 O ATOM 433 CB MET X 27 19.026 -9.848 -9.153 1.00 0.00 C ATOM 434 CG MET X 27 19.498 -9.236 -10.473 1.00 0.00 C ATOM 435 SD MET X 27 21.001 -8.270 -10.188 1.00 0.00 S ATOM 436 CE MET X 27 21.136 -7.564 -11.848 1.00 0.00 C ATOM 0 H MET X 27 18.612 -9.921 -6.585 1.00 0.00 H new ATOM 0 HA MET X 27 18.646 -7.791 -8.634 1.00 0.00 H new ATOM 0 HB2 MET X 27 19.877 -10.244 -8.599 1.00 0.00 H new ATOM 0 HB3 MET X 27 18.355 -10.684 -9.347 1.00 0.00 H new ATOM 0 HG2 MET X 27 19.692 -10.023 -11.202 1.00 0.00 H new ATOM 0 HG3 MET X 27 18.718 -8.600 -10.890 1.00 0.00 H new ATOM 0 HE1 MET X 27 22.014 -6.920 -11.899 1.00 0.00 H new ATOM 0 HE2 MET X 27 21.232 -8.367 -12.578 1.00 0.00 H new ATOM 0 HE3 MET X 27 20.243 -6.979 -12.068 1.00 0.00 H new ATOM 446 N ASN X 28 16.208 -9.965 -8.064 1.00 0.00 N ATOM 447 CA ASN X 28 14.773 -10.171 -8.222 1.00 0.00 C ATOM 448 C ASN X 28 14.038 -9.843 -6.926 1.00 0.00 C ATOM 449 O ASN X 28 12.906 -10.278 -6.716 1.00 0.00 O ATOM 450 CB ASN X 28 14.493 -11.624 -8.615 1.00 0.00 C ATOM 451 CG ASN X 28 13.710 -11.667 -9.921 1.00 0.00 C ATOM 452 OD1 ASN X 28 12.544 -12.065 -9.936 1.00 0.00 O ATOM 453 ND2 ASN X 28 14.283 -11.280 -11.028 1.00 0.00 N ATOM 0 H ASN X 28 16.692 -10.709 -7.561 1.00 0.00 H new ATOM 0 HA ASN X 28 14.415 -9.506 -9.008 1.00 0.00 H new ATOM 0 HB2 ASN X 28 15.432 -12.167 -8.726 1.00 0.00 H new ATOM 0 HB3 ASN X 28 13.928 -12.121 -7.826 1.00 0.00 H new ATOM 0 HD21 ASN X 28 13.765 -11.307 -11.907 1.00 0.00 H new ATOM 0 HD22 ASN X 28 15.248 -10.951 -11.015 1.00 0.00 H new ATOM 460 N THR X 29 14.691 -9.074 -6.060 1.00 0.00 N ATOM 461 CA THR X 29 14.089 -8.693 -4.788 1.00 0.00 C ATOM 462 C THR X 29 12.987 -7.660 -5.003 1.00 0.00 C ATOM 463 O THR X 29 11.902 -7.864 -4.488 1.00 0.00 O ATOM 464 CB THR X 29 15.158 -8.118 -3.856 1.00 0.00 C ATOM 465 OG1 THR X 29 14.648 -8.061 -2.530 1.00 0.00 O ATOM 466 CG2 THR X 29 15.535 -6.709 -4.318 1.00 0.00 C ATOM 0 H THR X 29 15.629 -8.705 -6.214 1.00 0.00 H new ATOM 0 HA THR X 29 13.652 -9.582 -4.334 1.00 0.00 H new ATOM 0 HB THR X 29 16.042 -8.756 -3.880 1.00 0.00 H new ATOM 0 HG1 THR X 29 15.332 -7.694 -1.932 1.00 0.00 H new ATOM 0 HG21 THR X 29 16.296 -6.300 -3.654 1.00 0.00 H new ATOM 0 HG22 THR X 29 15.925 -6.752 -5.335 1.00 0.00 H new ATOM 0 HG23 THR X 29 14.652 -6.070 -4.295 1.00 0.00 H new HETATM 474 N NH2 X 30 13.249 -6.679 -5.680 1.00 0.00 N TER 475 NH2 X 30 HETATM 476 N GGL X 101 29.485 -20.051 -4.067 1.00 0.00 N HETATM 477 CA GGL X 101 29.516 -19.372 -2.778 1.00 0.00 C HETATM 478 C GGL X 101 29.088 -17.917 -2.914 1.00 0.00 C HETATM 479 O GGL X 101 27.898 -17.678 -3.036 1.00 0.00 O HETATM 480 CB GGL X 101 30.924 -19.441 -2.201 1.00 0.00 C HETATM 481 CG GGL X 101 31.953 -19.371 -3.332 1.00 0.00 C HETATM 482 CD GGL X 101 32.359 -20.767 -3.788 1.00 0.00 C HETATM 483 OE1 GGL X 101 31.706 -21.749 -3.440 1.00 0.00 O HETATM 484 OXT GGL X 101 29.958 -17.061 -2.908 1.00 0.00 O HETATM 0 HG3 GGL X 101 31.537 -18.816 -4.173 1.00 0.00 H new HETATM 0 HG2 GGL X 101 32.833 -18.824 -2.994 1.00 0.00 H new HETATM 0 HB3 GGL X 101 31.081 -18.619 -1.503 1.00 0.00 H new HETATM 0 HB2 GGL X 101 31.051 -20.366 -1.638 1.00 0.00 H new HETATM 0 HA GGL X 101 28.816 -19.872 -2.108 1.00 0.00 H new HETATM 491 N GGL X 102 28.391 -23.870 -2.384 1.00 0.00 N HETATM 492 CA GGL X 102 28.282 -22.620 -3.106 1.00 0.00 C HETATM 493 C GGL X 102 26.999 -21.897 -2.701 1.00 0.00 C HETATM 494 O GGL X 102 26.033 -21.984 -3.442 1.00 0.00 O HETATM 495 CB GGL X 102 28.294 -22.912 -4.615 1.00 0.00 C HETATM 496 CG GGL X 102 28.356 -21.634 -5.472 1.00 0.00 C HETATM 497 CD GGL X 102 28.332 -20.369 -4.628 1.00 0.00 C HETATM 498 OE1 GGL X 102 27.264 -19.847 -4.307 1.00 0.00 O HETATM 499 OXT GGL X 102 26.999 -21.274 -1.652 1.00 0.00 O HETATM 0 HG3 GGL X 102 29.264 -21.648 -6.075 1.00 0.00 H new HETATM 0 HG2 GGL X 102 27.514 -21.622 -6.164 1.00 0.00 H new HETATM 0 HB3 GGL X 102 29.150 -23.544 -4.851 1.00 0.00 H new HETATM 0 HB2 GGL X 102 27.399 -23.477 -4.878 1.00 0.00 H new HETATM 0 HA GGL X 102 29.125 -21.974 -2.863 1.00 0.00 H new HETATM 0 H2 GGL X 102 29.194 -24.479 -2.538 1.00 0.00 H new HETATM 506 C1 PLM X 103 27.308 -24.577 -2.067 1.00 0.00 C HETATM 507 O2 PLM X 103 26.692 -25.254 -2.891 1.00 0.00 O HETATM 508 C2 PLM X 103 26.737 -24.343 -0.670 1.00 0.00 C HETATM 509 C3 PLM X 103 25.474 -25.189 -0.464 1.00 0.00 C HETATM 510 C4 PLM X 103 25.306 -25.505 1.024 1.00 0.00 C HETATM 511 C5 PLM X 103 26.056 -26.802 1.352 1.00 0.00 C HETATM 512 C6 PLM X 103 26.038 -27.045 2.865 1.00 0.00 C HETATM 513 C7 PLM X 103 27.133 -28.048 3.238 1.00 0.00 C HETATM 514 C8 PLM X 103 27.193 -28.197 4.760 1.00 0.00 C HETATM 515 C9 PLM X 103 28.166 -27.166 5.336 1.00 0.00 C HETATM 516 CA PLM X 103 27.776 -26.844 6.780 1.00 0.00 C HETATM 517 CB PLM X 103 28.782 -25.854 7.371 1.00 0.00 C HETATM 518 CC PLM X 103 28.395 -25.534 8.818 1.00 0.00 C HETATM 519 CD PLM X 103 29.384 -24.520 9.397 1.00 0.00 C HETATM 520 CE PLM X 103 28.615 -23.347 10.013 1.00 0.00 C HETATM 521 CF PLM X 103 29.608 -22.309 10.542 1.00 0.00 C HETATM 522 CG PLM X 103 28.845 -21.076 11.032 1.00 0.00 C HETATM 0 HG3 PLM X 103 28.277 -20.647 10.206 1.00 0.00 H new HETATM 0 HG2 PLM X 103 28.162 -21.365 11.831 1.00 0.00 H new HETATM 0 HG1 PLM X 103 29.552 -20.337 11.409 1.00 0.00 H new HETATM 0 HF2 PLM X 103 30.195 -22.734 11.356 1.00 0.00 H new HETATM 0 HF1 PLM X 103 30.309 -22.027 9.756 1.00 0.00 H new HETATM 0 HE2 PLM X 103 27.962 -22.894 9.267 1.00 0.00 H new HETATM 0 HE1 PLM X 103 27.977 -23.701 10.822 1.00 0.00 H new HETATM 0 HD2 PLM X 103 30.008 -24.996 10.153 1.00 0.00 H new HETATM 0 HD1 PLM X 103 30.051 -24.160 8.614 1.00 0.00 H new HETATM 0 HC2 PLM X 103 27.382 -25.132 8.855 1.00 0.00 H new HETATM 0 HC1 PLM X 103 28.399 -26.445 9.417 1.00 0.00 H new HETATM 0 HB2 PLM X 103 29.786 -26.276 7.337 1.00 0.00 H new HETATM 0 HB1 PLM X 103 28.800 -24.940 6.778 1.00 0.00 H new HETATM 0 HA2 PLM X 103 26.772 -26.421 6.811 1.00 0.00 H new HETATM 0 HA1 PLM X 103 27.756 -27.757 7.375 1.00 0.00 H new HETATM 0 H92 PLM X 103 29.184 -27.553 5.301 1.00 0.00 H new HETATM 0 H91 PLM X 103 28.149 -26.258 4.733 1.00 0.00 H new HETATM 0 H82 PLM X 103 26.201 -28.056 5.189 1.00 0.00 H new HETATM 0 H81 PLM X 103 27.515 -29.204 5.025 1.00 0.00 H new HETATM 0 H72 PLM X 103 26.929 -29.014 2.775 1.00 0.00 H new HETATM 0 H71 PLM X 103 28.096 -27.709 2.857 1.00 0.00 H new HETATM 0 H62 PLM X 103 26.195 -26.106 3.396 1.00 0.00 H new HETATM 0 H61 PLM X 103 25.063 -27.425 3.171 1.00 0.00 H new HETATM 0 H52 PLM X 103 25.592 -27.642 0.834 1.00 0.00 H new HETATM 0 H51 PLM X 103 27.085 -26.738 0.997 1.00 0.00 H new HETATM 0 H42 PLM X 103 25.693 -24.684 1.628 1.00 0.00 H new HETATM 0 H41 PLM X 103 24.249 -25.610 1.269 1.00 0.00 H new HETATM 0 H32 PLM X 103 24.600 -24.652 -0.833 1.00 0.00 H new HETATM 0 H31 PLM X 103 25.546 -26.114 -1.037 1.00 0.00 H new HETATM 0 H22 PLM X 103 27.482 -24.600 0.083 1.00 0.00 H new HETATM 0 H21 PLM X 103 26.501 -23.287 -0.538 1.00 0.00 H new