USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 624 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 ASN : amide:sc= -0.18 X(o=-1,f=-0.86) USER MOD Set 1.2: A 62 GLN : amide:sc= -0.864 X(o=-1,f=-1.3) USER MOD Set 2.1: A 22 THR OG1 : rot 146:sc= 1.26 USER MOD Set 2.2: A 25 ASN :FLIP amide:sc= 0.0221 F(o=0.34,f=1.3) USER MOD Set 3.1: A 7 THR OG1 : rot 145:sc= 1.46 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 1.06 USER MOD Set 4.1: A 6 LYS NZ :NH3+ 160:sc= 1.42 (180deg=-0.0423) USER MOD Set 4.2: A 68 HIS : no HE2:sc= 0.0991 K(o=1.5,f=-8.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 165:sc= 1.76 (180deg=1.51) USER MOD Single : A 2 GLN :FLIP amide:sc= -0.109 F(o=-0.64,f=-0.11) USER MOD Single : A 11 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.385) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -173:sc= 1.19 (180deg=1.17) USER MOD Single : A 31 GLN : amide:sc= -0.373 X(o=-0.37,f=-0.51) USER MOD Single : A 33 LYS NZ :NH3+ 166:sc= 2.06 (180deg=1.5) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.0086) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.66 F(o=-2.8!,f=-0.66) USER MOD Single : A 55 THR OG1 : rot -62:sc= 0.51 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -170:sc= 1.04 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -99:sc= 1.3 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.486 -2.404 3.579 1.00 0.00 N ATOM 2 CA MET A 1 -13.043 -2.489 2.177 1.00 0.00 C ATOM 3 C MET A 1 -11.768 -3.317 2.094 1.00 0.00 C ATOM 4 O MET A 1 -10.782 -2.967 2.743 1.00 0.00 O ATOM 5 CB MET A 1 -12.758 -1.091 1.594 1.00 0.00 C ATOM 6 CG MET A 1 -13.934 -0.497 0.833 1.00 0.00 C ATOM 7 SD MET A 1 -15.375 -0.228 1.874 1.00 0.00 S ATOM 8 CE MET A 1 -16.529 0.445 0.665 1.00 0.00 C ATOM 0 H1 MET A 1 -14.192 -1.647 3.675 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.909 -3.310 3.865 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.670 -2.195 4.189 1.00 0.00 H new ATOM 0 HA MET A 1 -13.843 -2.955 1.602 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.484 -0.417 2.406 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.898 -1.153 0.927 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.631 0.451 0.388 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.203 -1.163 0.013 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.478 0.667 1.152 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.117 1.360 0.239 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.690 -0.284 -0.129 1.00 0.00 H new ATOM 18 N GLN A 2 -11.729 -4.400 1.311 1.00 0.00 N ATOM 19 CA GLN A 2 -10.518 -5.211 1.171 1.00 0.00 C ATOM 20 C GLN A 2 -9.900 -4.992 -0.216 1.00 0.00 C ATOM 21 O GLN A 2 -10.634 -4.807 -1.188 1.00 0.00 O ATOM 22 CB GLN A 2 -10.724 -6.682 1.554 1.00 0.00 C ATOM 23 CG GLN A 2 -11.660 -7.416 0.614 1.00 0.00 C ATOM 24 CD GLN A 2 -11.528 -8.924 0.760 1.00 0.00 C ATOM 25 OE1 GLN A 2 -10.890 -9.571 -0.188 1.00 0.00 O flip ATOM 26 NE2 GLN A 2 -12.027 -9.529 1.708 1.00 0.00 N flip ATOM 0 H GLN A 2 -12.523 -4.734 0.765 1.00 0.00 H new ATOM 0 HA GLN A 2 -9.787 -4.868 1.903 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -9.758 -7.187 1.563 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.121 -6.735 2.568 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -12.689 -7.118 0.818 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -11.443 -7.129 -0.415 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -12.520 -9.015 2.438 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.948 -10.544 1.764 1.00 0.00 H new ATOM 35 N ILE A 3 -8.574 -4.915 -0.308 1.00 0.00 N ATOM 36 CA ILE A 3 -7.847 -4.718 -1.562 1.00 0.00 C ATOM 37 C ILE A 3 -6.675 -5.691 -1.598 1.00 0.00 C ATOM 38 O ILE A 3 -6.217 -6.162 -0.547 1.00 0.00 O ATOM 39 CB ILE A 3 -7.422 -3.244 -1.829 1.00 0.00 C ATOM 40 CG1 ILE A 3 -6.042 -2.807 -1.289 1.00 0.00 C ATOM 41 CG2 ILE A 3 -8.507 -2.219 -1.443 1.00 0.00 C ATOM 42 CD1 ILE A 3 -5.908 -2.829 0.230 1.00 0.00 C ATOM 0 H ILE A 3 -7.961 -4.989 0.504 1.00 0.00 H new ATOM 0 HA ILE A 3 -8.526 -4.934 -2.387 1.00 0.00 H new ATOM 0 HB ILE A 3 -7.305 -3.246 -2.913 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.279 -3.458 -1.715 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.833 -1.797 -1.643 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -8.148 -1.212 -1.654 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -9.411 -2.410 -2.022 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.731 -2.309 -0.380 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.906 -2.507 0.512 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.643 -2.155 0.670 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.080 -3.841 0.596 1.00 0.00 H new ATOM 54 N PHE A 4 -6.207 -6.001 -2.803 1.00 0.00 N ATOM 55 CA PHE A 4 -5.094 -6.902 -3.019 1.00 0.00 C ATOM 56 C PHE A 4 -3.808 -6.090 -3.010 1.00 0.00 C ATOM 57 O PHE A 4 -3.768 -4.935 -3.437 1.00 0.00 O ATOM 58 CB PHE A 4 -5.294 -7.679 -4.319 1.00 0.00 C ATOM 59 CG PHE A 4 -6.625 -8.397 -4.349 1.00 0.00 C ATOM 60 CD1 PHE A 4 -6.850 -9.497 -3.499 1.00 0.00 C ATOM 61 CD2 PHE A 4 -7.671 -7.901 -5.152 1.00 0.00 C ATOM 62 CE1 PHE A 4 -8.100 -10.138 -3.516 1.00 0.00 C ATOM 63 CE2 PHE A 4 -8.934 -8.510 -5.122 1.00 0.00 C ATOM 64 CZ PHE A 4 -9.132 -9.666 -4.347 1.00 0.00 C ATOM 0 H PHE A 4 -6.600 -5.625 -3.666 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.032 -7.643 -2.222 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.232 -6.994 -5.164 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.488 -8.404 -4.436 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.068 -9.845 -2.840 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -7.500 -7.049 -5.793 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.270 -10.999 -2.887 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.751 -8.093 -5.692 1.00 0.00 H new ATOM 0 HZ PHE A 4 -10.075 -10.191 -4.390 1.00 0.00 H new ATOM 74 N VAL A 5 -2.739 -6.729 -2.564 1.00 0.00 N ATOM 75 CA VAL A 5 -1.411 -6.178 -2.424 1.00 0.00 C ATOM 76 C VAL A 5 -0.446 -7.214 -3.001 1.00 0.00 C ATOM 77 O VAL A 5 -0.232 -8.271 -2.405 1.00 0.00 O ATOM 78 CB VAL A 5 -1.213 -5.870 -0.918 1.00 0.00 C ATOM 79 CG1 VAL A 5 0.166 -5.320 -0.548 1.00 0.00 C ATOM 80 CG2 VAL A 5 -2.249 -4.840 -0.424 1.00 0.00 C ATOM 0 H VAL A 5 -2.784 -7.706 -2.274 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.237 -5.246 -2.963 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.332 -6.841 -0.438 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.208 -5.136 0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.932 -6.045 -0.822 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.341 -4.387 -1.083 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.088 -4.642 0.636 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.138 -3.914 -0.988 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.254 -5.236 -0.570 1.00 0.00 H new ATOM 90 N LYS A 6 0.069 -6.968 -4.207 1.00 0.00 N ATOM 91 CA LYS A 6 1.022 -7.849 -4.879 1.00 0.00 C ATOM 92 C LYS A 6 2.374 -7.555 -4.239 1.00 0.00 C ATOM 93 O LYS A 6 2.683 -6.386 -3.982 1.00 0.00 O ATOM 94 CB LYS A 6 1.063 -7.524 -6.381 1.00 0.00 C ATOM 95 CG LYS A 6 1.942 -8.460 -7.232 1.00 0.00 C ATOM 96 CD LYS A 6 1.218 -9.672 -7.836 1.00 0.00 C ATOM 97 CE LYS A 6 0.205 -9.309 -8.934 1.00 0.00 C ATOM 98 NZ LYS A 6 0.801 -8.629 -10.103 1.00 0.00 N ATOM 0 H LYS A 6 -0.169 -6.139 -4.751 1.00 0.00 H new ATOM 0 HA LYS A 6 0.749 -8.899 -4.777 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.045 -7.554 -6.771 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.422 -6.502 -6.505 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.383 -7.880 -8.043 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.765 -8.820 -6.614 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.959 -10.356 -8.250 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.700 -10.207 -7.040 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.292 -10.219 -9.271 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.564 -8.666 -8.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.162 -8.718 -10.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.945 -7.623 -9.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.716 -9.068 -10.330 1.00 0.00 H new ATOM 112 N THR A 7 3.164 -8.583 -3.979 1.00 0.00 N ATOM 113 CA THR A 7 4.476 -8.482 -3.361 1.00 0.00 C ATOM 114 C THR A 7 5.589 -8.539 -4.414 1.00 0.00 C ATOM 115 O THR A 7 5.373 -8.984 -5.546 1.00 0.00 O ATOM 116 CB THR A 7 4.621 -9.633 -2.346 1.00 0.00 C ATOM 117 OG1 THR A 7 4.826 -10.833 -3.052 1.00 0.00 O ATOM 118 CG2 THR A 7 3.387 -9.838 -1.455 1.00 0.00 C ATOM 0 H THR A 7 2.901 -9.543 -4.200 1.00 0.00 H new ATOM 0 HA THR A 7 4.569 -7.523 -2.851 1.00 0.00 H new ATOM 0 HB THR A 7 5.458 -9.366 -1.700 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.436 -11.410 -2.546 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.567 -10.665 -0.768 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.195 -8.929 -0.885 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.522 -10.066 -2.078 1.00 0.00 H new ATOM 126 N LEU A 8 6.806 -8.136 -4.036 1.00 0.00 N ATOM 127 CA LEU A 8 7.981 -8.178 -4.904 1.00 0.00 C ATOM 128 C LEU A 8 8.366 -9.641 -5.132 1.00 0.00 C ATOM 129 O LEU A 8 9.009 -9.948 -6.135 1.00 0.00 O ATOM 130 CB LEU A 8 9.182 -7.441 -4.278 1.00 0.00 C ATOM 131 CG LEU A 8 9.136 -5.908 -4.404 1.00 0.00 C ATOM 132 CD1 LEU A 8 10.368 -5.288 -3.739 1.00 0.00 C ATOM 133 CD2 LEU A 8 9.139 -5.477 -5.870 1.00 0.00 C ATOM 0 H LEU A 8 7.003 -7.767 -3.106 1.00 0.00 H new ATOM 0 HA LEU A 8 7.731 -7.682 -5.842 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.240 -7.703 -3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.097 -7.803 -4.747 1.00 0.00 H new ATOM 0 HG LEU A 8 8.220 -5.570 -3.919 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.325 -4.203 -3.834 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.387 -5.559 -2.684 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.270 -5.660 -4.226 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.106 -4.389 -5.929 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.046 -5.840 -6.354 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.267 -5.894 -6.374 1.00 0.00 H new ATOM 145 N THR A 9 7.959 -10.535 -4.223 1.00 0.00 N ATOM 146 CA THR A 9 8.203 -11.968 -4.273 1.00 0.00 C ATOM 147 C THR A 9 7.271 -12.657 -5.292 1.00 0.00 C ATOM 148 O THR A 9 7.263 -13.885 -5.378 1.00 0.00 O ATOM 149 CB THR A 9 8.132 -12.557 -2.845 1.00 0.00 C ATOM 150 OG1 THR A 9 6.909 -12.264 -2.184 1.00 0.00 O ATOM 151 CG2 THR A 9 9.250 -11.980 -1.970 1.00 0.00 C ATOM 0 H THR A 9 7.427 -10.259 -3.398 1.00 0.00 H new ATOM 0 HA THR A 9 9.211 -12.163 -4.640 1.00 0.00 H new ATOM 0 HB THR A 9 8.228 -13.635 -2.971 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.918 -12.661 -1.288 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.185 -12.406 -0.969 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.218 -12.227 -2.407 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.144 -10.897 -1.911 1.00 0.00 H new ATOM 159 N GLY A 10 6.471 -11.887 -6.043 1.00 0.00 N ATOM 160 CA GLY A 10 5.542 -12.359 -7.068 1.00 0.00 C ATOM 161 C GLY A 10 4.330 -13.054 -6.471 1.00 0.00 C ATOM 162 O GLY A 10 3.760 -13.965 -7.080 1.00 0.00 O ATOM 0 H GLY A 10 6.457 -10.872 -5.944 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.212 -11.515 -7.673 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.060 -13.047 -7.736 1.00 0.00 H new ATOM 166 N LYS A 11 3.954 -12.667 -5.258 1.00 0.00 N ATOM 167 CA LYS A 11 2.847 -13.208 -4.486 1.00 0.00 C ATOM 168 C LYS A 11 1.770 -12.149 -4.326 1.00 0.00 C ATOM 169 O LYS A 11 1.951 -11.014 -4.768 1.00 0.00 O ATOM 170 CB LYS A 11 3.438 -13.546 -3.108 1.00 0.00 C ATOM 171 CG LYS A 11 2.807 -14.742 -2.398 1.00 0.00 C ATOM 172 CD LYS A 11 3.428 -14.892 -1.006 1.00 0.00 C ATOM 173 CE LYS A 11 2.979 -13.786 -0.038 1.00 0.00 C ATOM 174 NZ LYS A 11 3.690 -13.903 1.248 1.00 0.00 N ATOM 0 H LYS A 11 4.444 -11.924 -4.760 1.00 0.00 H new ATOM 0 HA LYS A 11 2.400 -14.077 -4.968 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.505 -13.737 -3.226 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.340 -12.671 -2.465 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.729 -14.602 -2.314 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.967 -15.650 -2.979 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.156 -15.864 -0.593 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.514 -14.875 -1.093 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.173 -12.808 -0.479 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.904 -13.854 0.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.090 -13.530 2.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.906 -14.903 1.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.575 -13.359 1.206 1.00 0.00 H new ATOM 188 N THR A 12 0.662 -12.490 -3.674 1.00 0.00 N ATOM 189 CA THR A 12 -0.398 -11.532 -3.421 1.00 0.00 C ATOM 190 C THR A 12 -0.956 -11.794 -2.027 1.00 0.00 C ATOM 191 O THR A 12 -1.048 -12.936 -1.571 1.00 0.00 O ATOM 192 CB THR A 12 -1.516 -11.561 -4.482 1.00 0.00 C ATOM 193 OG1 THR A 12 -1.084 -11.907 -5.783 1.00 0.00 O ATOM 194 CG2 THR A 12 -2.201 -10.193 -4.588 1.00 0.00 C ATOM 0 H THR A 12 0.479 -13.426 -3.312 1.00 0.00 H new ATOM 0 HA THR A 12 0.027 -10.530 -3.482 1.00 0.00 H new ATOM 0 HB THR A 12 -2.196 -12.337 -4.131 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.850 -11.904 -6.394 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.986 -10.237 -5.343 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.638 -9.929 -3.625 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.467 -9.439 -4.872 1.00 0.00 H new ATOM 202 N ILE A 13 -1.321 -10.716 -1.346 1.00 0.00 N ATOM 203 CA ILE A 13 -1.899 -10.685 -0.010 1.00 0.00 C ATOM 204 C ILE A 13 -3.126 -9.768 -0.114 1.00 0.00 C ATOM 205 O ILE A 13 -3.266 -9.013 -1.076 1.00 0.00 O ATOM 206 CB ILE A 13 -0.827 -10.198 1.008 1.00 0.00 C ATOM 207 CG1 ILE A 13 0.403 -11.143 0.978 1.00 0.00 C ATOM 208 CG2 ILE A 13 -1.377 -10.090 2.443 1.00 0.00 C ATOM 209 CD1 ILE A 13 1.496 -10.798 1.993 1.00 0.00 C ATOM 0 H ILE A 13 -1.214 -9.780 -1.738 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.214 -11.663 0.354 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.529 -9.195 0.704 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.065 -12.163 1.160 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.835 -11.124 -0.022 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.587 -9.746 3.111 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.204 -9.380 2.463 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.730 -11.067 2.772 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.316 -11.510 1.901 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.866 -9.791 1.801 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.085 -10.847 3.001 1.00 0.00 H new ATOM 221 N THR A 14 -4.038 -9.832 0.847 1.00 0.00 N ATOM 222 CA THR A 14 -5.240 -9.018 0.920 1.00 0.00 C ATOM 223 C THR A 14 -5.250 -8.369 2.311 1.00 0.00 C ATOM 224 O THR A 14 -4.714 -8.949 3.258 1.00 0.00 O ATOM 225 CB THR A 14 -6.481 -9.882 0.646 1.00 0.00 C ATOM 226 OG1 THR A 14 -6.193 -11.009 -0.172 1.00 0.00 O ATOM 227 CG2 THR A 14 -7.573 -9.076 -0.044 1.00 0.00 C ATOM 0 H THR A 14 -3.955 -10.481 1.630 1.00 0.00 H new ATOM 0 HA THR A 14 -5.254 -8.235 0.162 1.00 0.00 H new ATOM 0 HB THR A 14 -6.818 -10.226 1.624 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.013 -11.527 -0.316 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.438 -9.715 -0.224 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.865 -8.240 0.592 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.199 -8.695 -0.994 1.00 0.00 H new ATOM 235 N LEU A 15 -5.819 -7.169 2.447 1.00 0.00 N ATOM 236 CA LEU A 15 -5.886 -6.419 3.712 1.00 0.00 C ATOM 237 C LEU A 15 -7.289 -5.841 3.882 1.00 0.00 C ATOM 238 O LEU A 15 -8.087 -5.943 2.954 1.00 0.00 O ATOM 239 CB LEU A 15 -4.929 -5.204 3.673 1.00 0.00 C ATOM 240 CG LEU A 15 -3.481 -5.399 3.193 1.00 0.00 C ATOM 241 CD1 LEU A 15 -2.818 -4.015 3.160 1.00 0.00 C ATOM 242 CD2 LEU A 15 -2.668 -6.322 4.105 1.00 0.00 C ATOM 0 H LEU A 15 -6.256 -6.678 1.667 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.620 -7.102 4.519 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.386 -4.448 3.035 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.887 -4.788 4.680 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.505 -5.871 2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.786 -4.114 2.823 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.363 -3.367 2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.833 -3.580 4.159 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.655 -6.420 3.714 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.630 -5.900 5.109 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.139 -7.304 4.142 1.00 0.00 H new ATOM 254 N GLU A 16 -7.585 -5.170 4.999 1.00 0.00 N ATOM 255 CA GLU A 16 -8.868 -4.517 5.264 1.00 0.00 C ATOM 256 C GLU A 16 -8.554 -3.061 5.612 1.00 0.00 C ATOM 257 O GLU A 16 -7.761 -2.813 6.516 1.00 0.00 O ATOM 258 CB GLU A 16 -9.684 -5.176 6.390 1.00 0.00 C ATOM 259 CG GLU A 16 -10.978 -4.352 6.555 1.00 0.00 C ATOM 260 CD GLU A 16 -11.958 -4.872 7.597 1.00 0.00 C ATOM 261 OE1 GLU A 16 -12.628 -5.899 7.339 1.00 0.00 O ATOM 262 OE2 GLU A 16 -12.226 -4.155 8.587 1.00 0.00 O ATOM 0 H GLU A 16 -6.919 -5.064 5.765 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.496 -4.605 4.378 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.916 -6.212 6.142 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.115 -5.191 7.320 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.706 -3.329 6.816 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.487 -4.310 5.592 1.00 0.00 H new ATOM 269 N VAL A 17 -9.162 -2.114 4.905 1.00 0.00 N ATOM 270 CA VAL A 17 -9.041 -0.671 5.058 1.00 0.00 C ATOM 271 C VAL A 17 -10.439 -0.078 4.832 1.00 0.00 C ATOM 272 O VAL A 17 -11.410 -0.814 4.641 1.00 0.00 O ATOM 273 CB VAL A 17 -8.024 -0.098 4.038 1.00 0.00 C ATOM 274 CG1 VAL A 17 -6.644 -0.769 4.138 1.00 0.00 C ATOM 275 CG2 VAL A 17 -8.548 -0.143 2.584 1.00 0.00 C ATOM 0 H VAL A 17 -9.803 -2.357 4.150 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.673 -0.414 6.051 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.902 0.950 4.311 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.971 -0.329 3.401 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.237 -0.617 5.138 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.744 -1.837 3.946 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.795 0.271 1.913 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.756 -1.176 2.304 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.463 0.444 2.509 1.00 0.00 H new ATOM 285 N GLU A 18 -10.562 1.241 4.863 1.00 0.00 N ATOM 286 CA GLU A 18 -11.775 2.006 4.623 1.00 0.00 C ATOM 287 C GLU A 18 -11.310 3.338 4.014 1.00 0.00 C ATOM 288 O GLU A 18 -10.146 3.706 4.187 1.00 0.00 O ATOM 289 CB GLU A 18 -12.567 2.302 5.905 1.00 0.00 C ATOM 290 CG GLU A 18 -13.473 1.165 6.416 1.00 0.00 C ATOM 291 CD GLU A 18 -14.647 0.816 5.488 1.00 0.00 C ATOM 292 OE1 GLU A 18 -15.621 1.607 5.389 1.00 0.00 O ATOM 293 OE2 GLU A 18 -14.628 -0.290 4.905 1.00 0.00 O ATOM 0 H GLU A 18 -9.765 1.843 5.070 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.441 1.434 3.976 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.860 2.559 6.694 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.185 3.183 5.731 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.865 0.272 6.563 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.869 1.445 7.392 1.00 0.00 H new ATOM 300 N PRO A 19 -12.193 4.095 3.346 1.00 0.00 N ATOM 301 CA PRO A 19 -11.872 5.384 2.739 1.00 0.00 C ATOM 302 C PRO A 19 -11.232 6.387 3.714 1.00 0.00 C ATOM 303 O PRO A 19 -10.431 7.226 3.292 1.00 0.00 O ATOM 304 CB PRO A 19 -13.196 5.913 2.182 1.00 0.00 C ATOM 305 CG PRO A 19 -13.994 4.634 1.936 1.00 0.00 C ATOM 306 CD PRO A 19 -13.575 3.744 3.084 1.00 0.00 C ATOM 0 HA PRO A 19 -11.116 5.254 1.964 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.698 6.573 2.890 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.050 6.482 1.264 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.068 4.821 1.942 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.753 4.188 0.971 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.198 3.913 3.962 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -13.672 2.690 2.822 1.00 0.00 H new ATOM 314 N SER A 20 -11.598 6.336 4.998 1.00 0.00 N ATOM 315 CA SER A 20 -11.101 7.209 6.059 1.00 0.00 C ATOM 316 C SER A 20 -9.720 6.792 6.587 1.00 0.00 C ATOM 317 O SER A 20 -9.056 7.601 7.241 1.00 0.00 O ATOM 318 CB SER A 20 -12.167 7.193 7.171 1.00 0.00 C ATOM 319 OG SER A 20 -11.808 7.924 8.324 1.00 0.00 O ATOM 0 H SER A 20 -12.278 5.656 5.338 1.00 0.00 H new ATOM 0 HA SER A 20 -10.949 8.216 5.670 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.098 7.597 6.773 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.364 6.159 7.456 1.00 0.00 H new ATOM 0 HG SER A 20 -12.531 7.870 8.984 1.00 0.00 H new ATOM 325 N ASP A 21 -9.266 5.562 6.342 1.00 0.00 N ATOM 326 CA ASP A 21 -7.969 5.126 6.853 1.00 0.00 C ATOM 327 C ASP A 21 -6.818 5.836 6.144 1.00 0.00 C ATOM 328 O ASP A 21 -6.834 6.024 4.922 1.00 0.00 O ATOM 329 CB ASP A 21 -7.799 3.602 6.740 1.00 0.00 C ATOM 330 CG ASP A 21 -8.619 2.813 7.761 1.00 0.00 C ATOM 331 OD1 ASP A 21 -8.978 1.655 7.459 1.00 0.00 O ATOM 332 OD2 ASP A 21 -8.891 3.327 8.877 1.00 0.00 O ATOM 0 H ASP A 21 -9.770 4.860 5.800 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.941 5.397 7.908 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.085 3.287 5.736 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.745 3.353 6.864 1.00 0.00 H new ATOM 337 N THR A 22 -5.821 6.266 6.921 1.00 0.00 N ATOM 338 CA THR A 22 -4.643 6.919 6.370 1.00 0.00 C ATOM 339 C THR A 22 -3.729 5.831 5.819 1.00 0.00 C ATOM 340 O THR A 22 -3.774 4.687 6.284 1.00 0.00 O ATOM 341 CB THR A 22 -3.896 7.742 7.429 1.00 0.00 C ATOM 342 OG1 THR A 22 -3.680 7.008 8.611 1.00 0.00 O ATOM 343 CG2 THR A 22 -4.639 9.024 7.775 1.00 0.00 C ATOM 0 H THR A 22 -5.811 6.171 7.936 1.00 0.00 H new ATOM 0 HA THR A 22 -4.950 7.613 5.587 1.00 0.00 H new ATOM 0 HB THR A 22 -2.932 7.994 6.987 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.822 7.269 9.006 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.078 9.578 8.528 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.746 9.636 6.879 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.626 8.778 8.166 1.00 0.00 H new ATOM 351 N ILE A 23 -2.821 6.197 4.911 1.00 0.00 N ATOM 352 CA ILE A 23 -1.866 5.266 4.297 1.00 0.00 C ATOM 353 C ILE A 23 -1.001 4.585 5.362 1.00 0.00 C ATOM 354 O ILE A 23 -0.444 3.519 5.109 1.00 0.00 O ATOM 355 CB ILE A 23 -1.008 5.998 3.252 1.00 0.00 C ATOM 356 CG1 ILE A 23 -1.837 6.924 2.340 1.00 0.00 C ATOM 357 CG2 ILE A 23 -0.169 5.044 2.392 1.00 0.00 C ATOM 358 CD1 ILE A 23 -3.073 6.292 1.688 1.00 0.00 C ATOM 0 H ILE A 23 -2.726 7.156 4.577 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.423 4.481 3.785 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.327 6.615 3.838 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.159 7.785 2.926 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.187 7.301 1.551 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.415 5.620 1.674 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.504 4.474 3.032 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.829 4.360 1.858 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.578 7.034 1.070 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.766 5.450 1.067 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.754 5.942 2.463 1.00 0.00 H new ATOM 370 N GLU A 24 -0.882 5.205 6.537 1.00 0.00 N ATOM 371 CA GLU A 24 -0.144 4.708 7.682 1.00 0.00 C ATOM 372 C GLU A 24 -0.701 3.315 8.001 1.00 0.00 C ATOM 373 O GLU A 24 0.055 2.352 8.090 1.00 0.00 O ATOM 374 CB GLU A 24 -0.352 5.666 8.870 1.00 0.00 C ATOM 375 CG GLU A 24 -0.069 7.147 8.572 1.00 0.00 C ATOM 376 CD GLU A 24 -0.529 8.004 9.749 1.00 0.00 C ATOM 377 OE1 GLU A 24 -1.758 8.193 9.910 1.00 0.00 O ATOM 378 OE2 GLU A 24 0.322 8.427 10.570 1.00 0.00 O ATOM 0 H GLU A 24 -1.320 6.108 6.717 1.00 0.00 H new ATOM 0 HA GLU A 24 0.926 4.648 7.481 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.381 5.572 9.217 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.291 5.347 9.690 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.996 7.296 8.396 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.588 7.451 7.663 1.00 0.00 H new ATOM 385 N ASN A 25 -2.035 3.210 8.083 1.00 0.00 N ATOM 386 CA ASN A 25 -2.776 1.984 8.370 1.00 0.00 C ATOM 387 C ASN A 25 -2.474 0.950 7.317 1.00 0.00 C ATOM 388 O ASN A 25 -2.125 -0.179 7.626 1.00 0.00 O ATOM 389 CB ASN A 25 -4.307 2.156 8.322 1.00 0.00 C ATOM 390 CG ASN A 25 -4.774 3.051 9.424 1.00 0.00 C ATOM 391 OD1 ASN A 25 -4.529 4.326 9.258 1.00 0.00 O flip ATOM 392 ND2 ASN A 25 -5.301 2.609 10.440 1.00 0.00 N flip ATOM 0 H ASN A 25 -2.648 4.013 7.945 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.466 1.697 9.375 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.601 2.573 7.359 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.790 1.183 8.408 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.475 1.608 10.530 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.565 3.243 11.194 1.00 0.00 H new ATOM 399 N VAL A 26 -2.675 1.334 6.060 1.00 0.00 N ATOM 400 CA VAL A 26 -2.479 0.488 4.900 1.00 0.00 C ATOM 401 C VAL A 26 -1.070 -0.113 4.931 1.00 0.00 C ATOM 402 O VAL A 26 -0.911 -1.313 4.710 1.00 0.00 O ATOM 403 CB VAL A 26 -2.817 1.300 3.631 1.00 0.00 C ATOM 404 CG1 VAL A 26 -3.021 0.347 2.445 1.00 0.00 C ATOM 405 CG2 VAL A 26 -4.083 2.170 3.819 1.00 0.00 C ATOM 0 H VAL A 26 -2.989 2.274 5.819 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.154 -0.368 4.901 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.979 1.969 3.436 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.259 0.924 1.551 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.108 -0.224 2.276 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.841 -0.337 2.665 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.283 2.724 2.902 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.934 1.529 4.049 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.924 2.871 4.639 1.00 0.00 H new ATOM 415 N LYS A 27 -0.061 0.705 5.240 1.00 0.00 N ATOM 416 CA LYS A 27 1.331 0.297 5.331 1.00 0.00 C ATOM 417 C LYS A 27 1.528 -0.624 6.543 1.00 0.00 C ATOM 418 O LYS A 27 2.173 -1.661 6.416 1.00 0.00 O ATOM 419 CB LYS A 27 2.197 1.561 5.371 1.00 0.00 C ATOM 420 CG LYS A 27 3.690 1.224 5.430 1.00 0.00 C ATOM 421 CD LYS A 27 4.605 2.427 5.172 1.00 0.00 C ATOM 422 CE LYS A 27 4.165 3.658 5.966 1.00 0.00 C ATOM 423 NZ LYS A 27 5.130 4.769 5.889 1.00 0.00 N ATOM 0 H LYS A 27 -0.200 1.696 5.438 1.00 0.00 H new ATOM 0 HA LYS A 27 1.636 -0.286 4.462 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.996 2.168 4.488 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.925 2.161 6.239 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.921 0.807 6.410 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.908 0.449 4.695 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.629 2.168 5.441 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.604 2.662 4.108 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.198 3.997 5.593 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.024 3.379 7.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.778 5.574 6.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.047 4.459 6.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.247 5.059 4.897 1.00 0.00 H new ATOM 437 N ALA A 28 0.967 -0.286 7.704 1.00 0.00 N ATOM 438 CA ALA A 28 1.075 -1.086 8.918 1.00 0.00 C ATOM 439 C ALA A 28 0.477 -2.483 8.695 1.00 0.00 C ATOM 440 O ALA A 28 1.083 -3.503 9.022 1.00 0.00 O ATOM 441 CB ALA A 28 0.372 -0.352 10.068 1.00 0.00 C ATOM 0 H ALA A 28 0.417 0.564 7.826 1.00 0.00 H new ATOM 0 HA ALA A 28 2.125 -1.220 9.178 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.449 -0.945 10.979 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.846 0.617 10.225 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.679 -0.206 9.818 1.00 0.00 H new ATOM 447 N LYS A 29 -0.704 -2.536 8.077 1.00 0.00 N ATOM 448 CA LYS A 29 -1.451 -3.753 7.768 1.00 0.00 C ATOM 449 C LYS A 29 -0.656 -4.700 6.875 1.00 0.00 C ATOM 450 O LYS A 29 -0.906 -5.909 6.947 1.00 0.00 O ATOM 451 CB LYS A 29 -2.795 -3.361 7.142 1.00 0.00 C ATOM 452 CG LYS A 29 -3.739 -2.781 8.206 1.00 0.00 C ATOM 453 CD LYS A 29 -4.871 -1.966 7.577 1.00 0.00 C ATOM 454 CE LYS A 29 -5.874 -1.516 8.647 1.00 0.00 C ATOM 455 NZ LYS A 29 -6.775 -2.611 9.057 1.00 0.00 N ATOM 0 H LYS A 29 -1.186 -1.693 7.765 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.635 -4.304 8.690 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.634 -2.627 6.352 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.254 -4.234 6.678 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.161 -3.593 8.799 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.172 -2.149 8.889 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.459 -1.095 7.068 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.381 -2.565 6.822 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.333 -1.146 9.518 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.465 -0.685 8.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.510 -2.237 9.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.222 -3.026 8.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.228 -3.342 9.555 1.00 0.00 H new ATOM 469 N ILE A 30 0.252 -4.191 6.032 1.00 0.00 N ATOM 470 CA ILE A 30 1.077 -5.037 5.179 1.00 0.00 C ATOM 471 C ILE A 30 2.386 -5.342 5.909 1.00 0.00 C ATOM 472 O ILE A 30 2.892 -6.450 5.766 1.00 0.00 O ATOM 473 CB ILE A 30 1.248 -4.473 3.754 1.00 0.00 C ATOM 474 CG1 ILE A 30 2.031 -5.429 2.841 1.00 0.00 C ATOM 475 CG2 ILE A 30 1.905 -3.092 3.685 1.00 0.00 C ATOM 476 CD1 ILE A 30 1.337 -6.784 2.644 1.00 0.00 C ATOM 0 H ILE A 30 0.430 -3.192 5.927 1.00 0.00 H new ATOM 0 HA ILE A 30 0.568 -5.985 5.003 1.00 0.00 H new ATOM 0 HB ILE A 30 0.222 -4.367 3.401 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.174 -4.957 1.869 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.022 -5.594 3.264 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.983 -2.778 2.644 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.299 -2.373 4.237 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.901 -3.141 4.125 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.942 -7.411 1.989 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.218 -7.276 3.609 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.357 -6.629 2.193 1.00 0.00 H new ATOM 488 N GLN A 31 2.931 -4.424 6.721 1.00 0.00 N ATOM 489 CA GLN A 31 4.163 -4.661 7.478 1.00 0.00 C ATOM 490 C GLN A 31 3.972 -5.892 8.369 1.00 0.00 C ATOM 491 O GLN A 31 4.894 -6.690 8.523 1.00 0.00 O ATOM 492 CB GLN A 31 4.514 -3.446 8.346 1.00 0.00 C ATOM 493 CG GLN A 31 5.418 -2.445 7.635 1.00 0.00 C ATOM 494 CD GLN A 31 5.720 -1.257 8.548 1.00 0.00 C ATOM 495 OE1 GLN A 31 5.809 -1.374 9.769 1.00 0.00 O ATOM 496 NE2 GLN A 31 5.804 -0.071 7.978 1.00 0.00 N ATOM 0 H GLN A 31 2.529 -3.499 6.869 1.00 0.00 H new ATOM 0 HA GLN A 31 4.981 -4.828 6.777 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.594 -2.945 8.649 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.006 -3.787 9.257 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.348 -2.931 7.340 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.937 -2.096 6.721 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.729 0.014 6.964 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.944 0.761 8.551 1.00 0.00 H new ATOM 505 N ASP A 32 2.754 -6.071 8.881 1.00 0.00 N ATOM 506 CA ASP A 32 2.265 -7.160 9.730 1.00 0.00 C ATOM 507 C ASP A 32 2.355 -8.534 9.045 1.00 0.00 C ATOM 508 O ASP A 32 2.188 -9.567 9.690 1.00 0.00 O ATOM 509 CB ASP A 32 0.778 -6.846 9.966 1.00 0.00 C ATOM 510 CG ASP A 32 -0.010 -7.931 10.701 1.00 0.00 C ATOM 511 OD1 ASP A 32 -0.769 -8.665 10.021 1.00 0.00 O ATOM 512 OD2 ASP A 32 0.019 -7.959 11.952 1.00 0.00 O ATOM 0 H ASP A 32 2.014 -5.394 8.695 1.00 0.00 H new ATOM 0 HA ASP A 32 2.864 -7.216 10.639 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.705 -5.919 10.535 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.304 -6.666 9.001 1.00 0.00 H new ATOM 517 N LYS A 33 2.622 -8.559 7.734 1.00 0.00 N ATOM 518 CA LYS A 33 2.702 -9.766 6.915 1.00 0.00 C ATOM 519 C LYS A 33 4.018 -9.838 6.157 1.00 0.00 C ATOM 520 O LYS A 33 4.584 -10.922 6.029 1.00 0.00 O ATOM 521 CB LYS A 33 1.491 -9.782 5.957 1.00 0.00 C ATOM 522 CG LYS A 33 0.176 -9.665 6.744 1.00 0.00 C ATOM 523 CD LYS A 33 -1.097 -9.567 5.900 1.00 0.00 C ATOM 524 CE LYS A 33 -2.358 -9.449 6.776 1.00 0.00 C ATOM 525 NZ LYS A 33 -2.297 -8.338 7.756 1.00 0.00 N ATOM 0 H LYS A 33 2.794 -7.708 7.199 1.00 0.00 H new ATOM 0 HA LYS A 33 2.672 -10.648 7.555 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.571 -8.958 5.248 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.492 -10.704 5.376 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.089 -10.531 7.400 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.234 -8.784 7.384 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.030 -8.701 5.241 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.179 -10.447 5.262 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.226 -9.307 6.132 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.508 -10.387 7.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.247 -8.163 8.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.650 -8.593 8.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.951 -7.478 7.285 1.00 0.00 H new ATOM 539 N GLU A 34 4.514 -8.714 5.642 1.00 0.00 N ATOM 540 CA GLU A 34 5.767 -8.680 4.909 1.00 0.00 C ATOM 541 C GLU A 34 6.942 -8.817 5.879 1.00 0.00 C ATOM 542 O GLU A 34 7.929 -9.476 5.548 1.00 0.00 O ATOM 543 CB GLU A 34 5.874 -7.379 4.097 1.00 0.00 C ATOM 544 CG GLU A 34 7.067 -7.384 3.123 1.00 0.00 C ATOM 545 CD GLU A 34 6.922 -8.443 2.030 1.00 0.00 C ATOM 546 OE1 GLU A 34 7.200 -9.639 2.283 1.00 0.00 O ATOM 547 OE2 GLU A 34 6.438 -8.078 0.937 1.00 0.00 O ATOM 0 H GLU A 34 4.056 -7.806 5.724 1.00 0.00 H new ATOM 0 HA GLU A 34 5.796 -9.517 4.212 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.952 -7.229 3.535 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.972 -6.536 4.781 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.161 -6.401 2.662 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.987 -7.564 3.680 1.00 0.00 H new ATOM 554 N GLY A 35 6.849 -8.195 7.059 1.00 0.00 N ATOM 555 CA GLY A 35 7.885 -8.248 8.074 1.00 0.00 C ATOM 556 C GLY A 35 9.118 -7.461 7.664 1.00 0.00 C ATOM 557 O GLY A 35 10.200 -8.035 7.574 1.00 0.00 O ATOM 0 H GLY A 35 6.040 -7.637 7.331 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.496 -7.851 9.012 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.161 -9.286 8.258 1.00 0.00 H new ATOM 561 N ILE A 36 8.947 -6.181 7.331 1.00 0.00 N ATOM 562 CA ILE A 36 10.022 -5.276 6.941 1.00 0.00 C ATOM 563 C ILE A 36 9.756 -3.911 7.581 1.00 0.00 C ATOM 564 O ILE A 36 8.598 -3.612 7.894 1.00 0.00 O ATOM 565 CB ILE A 36 10.193 -5.179 5.402 1.00 0.00 C ATOM 566 CG1 ILE A 36 8.909 -4.902 4.582 1.00 0.00 C ATOM 567 CG2 ILE A 36 10.813 -6.484 4.882 1.00 0.00 C ATOM 568 CD1 ILE A 36 8.445 -3.445 4.540 1.00 0.00 C ATOM 0 H ILE A 36 8.030 -5.735 7.326 1.00 0.00 H new ATOM 0 HA ILE A 36 10.971 -5.671 7.304 1.00 0.00 H new ATOM 0 HB ILE A 36 10.830 -4.307 5.255 1.00 0.00 H new ATOM 0 HG12 ILE A 36 9.074 -5.240 3.559 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.101 -5.509 4.992 1.00 0.00 H new ATOM 0 HG21 ILE A 36 10.936 -6.423 3.801 1.00 0.00 H new ATOM 0 HG22 ILE A 36 11.786 -6.636 5.350 1.00 0.00 H new ATOM 0 HG23 ILE A 36 10.158 -7.320 5.126 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.539 -3.369 3.939 1.00 0.00 H new ATOM 0 HD12 ILE A 36 8.239 -3.100 5.553 1.00 0.00 H new ATOM 0 HD13 ILE A 36 9.226 -2.827 4.098 1.00 0.00 H new ATOM 580 N PRO A 37 10.790 -3.080 7.785 1.00 0.00 N ATOM 581 CA PRO A 37 10.611 -1.760 8.367 1.00 0.00 C ATOM 582 C PRO A 37 9.918 -0.818 7.363 1.00 0.00 C ATOM 583 O PRO A 37 9.860 -1.112 6.171 1.00 0.00 O ATOM 584 CB PRO A 37 12.026 -1.245 8.676 1.00 0.00 C ATOM 585 CG PRO A 37 12.946 -2.445 8.464 1.00 0.00 C ATOM 586 CD PRO A 37 12.190 -3.312 7.474 1.00 0.00 C ATOM 0 HA PRO A 37 9.987 -1.800 9.260 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.297 -0.420 8.017 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.095 -0.872 9.698 1.00 0.00 H new ATOM 0 HG2 PRO A 37 13.916 -2.141 8.070 1.00 0.00 H new ATOM 0 HG3 PRO A 37 13.134 -2.975 9.398 1.00 0.00 H new ATOM 0 HD2 PRO A 37 12.420 -3.033 6.446 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.453 -4.364 7.586 1.00 0.00 H new ATOM 594 N PRO A 38 9.453 0.365 7.799 1.00 0.00 N ATOM 595 CA PRO A 38 8.812 1.338 6.922 1.00 0.00 C ATOM 596 C PRO A 38 9.734 1.802 5.785 1.00 0.00 C ATOM 597 O PRO A 38 9.251 2.121 4.697 1.00 0.00 O ATOM 598 CB PRO A 38 8.448 2.527 7.817 1.00 0.00 C ATOM 599 CG PRO A 38 8.465 1.974 9.238 1.00 0.00 C ATOM 600 CD PRO A 38 9.445 0.809 9.177 1.00 0.00 C ATOM 0 HA PRO A 38 7.942 0.892 6.439 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.164 3.341 7.702 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.467 2.927 7.561 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.789 2.729 9.955 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.474 1.644 9.548 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.441 1.120 9.492 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.136 0.004 9.844 1.00 0.00 H new ATOM 608 N ASP A 39 11.034 1.956 6.060 1.00 0.00 N ATOM 609 CA ASP A 39 12.038 2.380 5.082 1.00 0.00 C ATOM 610 C ASP A 39 12.294 1.260 4.070 1.00 0.00 C ATOM 611 O ASP A 39 11.956 0.110 4.329 1.00 0.00 O ATOM 612 CB ASP A 39 13.330 2.767 5.813 1.00 0.00 C ATOM 613 CG ASP A 39 14.402 3.323 4.881 1.00 0.00 C ATOM 614 OD1 ASP A 39 15.590 2.962 5.040 1.00 0.00 O ATOM 615 OD2 ASP A 39 14.077 4.189 4.035 1.00 0.00 O ATOM 0 H ASP A 39 11.424 1.786 6.987 1.00 0.00 H new ATOM 0 HA ASP A 39 11.672 3.249 4.535 1.00 0.00 H new ATOM 0 HB2 ASP A 39 13.100 3.510 6.576 1.00 0.00 H new ATOM 0 HB3 ASP A 39 13.724 1.892 6.329 1.00 0.00 H new ATOM 620 N GLN A 40 12.924 1.570 2.931 1.00 0.00 N ATOM 621 CA GLN A 40 13.214 0.591 1.878 1.00 0.00 C ATOM 622 C GLN A 40 11.917 -0.016 1.301 1.00 0.00 C ATOM 623 O GLN A 40 11.943 -1.126 0.769 1.00 0.00 O ATOM 624 CB GLN A 40 14.202 -0.481 2.379 1.00 0.00 C ATOM 625 CG GLN A 40 15.089 -1.037 1.253 1.00 0.00 C ATOM 626 CD GLN A 40 15.800 -2.320 1.672 1.00 0.00 C ATOM 627 OE1 GLN A 40 15.167 -3.331 1.953 1.00 0.00 O ATOM 628 NE2 GLN A 40 17.119 -2.350 1.718 1.00 0.00 N ATOM 0 H GLN A 40 13.248 2.512 2.713 1.00 0.00 H new ATOM 0 HA GLN A 40 13.703 1.110 1.054 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.834 -0.053 3.157 1.00 0.00 H new ATOM 0 HB3 GLN A 40 13.645 -1.299 2.836 1.00 0.00 H new ATOM 0 HG2 GLN A 40 14.478 -1.231 0.372 1.00 0.00 H new ATOM 0 HG3 GLN A 40 15.828 -0.288 0.969 1.00 0.00 H new ATOM 0 HE21 GLN A 40 17.657 -1.515 1.486 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.601 -3.209 1.985 1.00 0.00 H new ATOM 637 N ASN A 41 10.770 0.677 1.387 1.00 0.00 N ATOM 638 CA ASN A 41 9.515 0.146 0.868 1.00 0.00 C ATOM 639 C ASN A 41 8.515 1.230 0.467 1.00 0.00 C ATOM 640 O ASN A 41 8.550 2.328 1.025 1.00 0.00 O ATOM 641 CB ASN A 41 8.897 -0.717 1.978 1.00 0.00 C ATOM 642 CG ASN A 41 7.969 -1.744 1.380 1.00 0.00 C ATOM 643 OD1 ASN A 41 6.758 -1.547 1.327 1.00 0.00 O ATOM 644 ND2 ASN A 41 8.539 -2.837 0.915 1.00 0.00 N ATOM 0 H ASN A 41 10.693 1.602 1.811 1.00 0.00 H new ATOM 0 HA ASN A 41 9.732 -0.421 -0.037 1.00 0.00 H new ATOM 0 HB2 ASN A 41 9.685 -1.214 2.544 1.00 0.00 H new ATOM 0 HB3 ASN A 41 8.350 -0.086 2.678 1.00 0.00 H new ATOM 0 HD21 ASN A 41 7.969 -3.567 0.487 1.00 0.00 H new ATOM 0 HD22 ASN A 41 9.550 -2.953 0.983 1.00 0.00 H new ATOM 651 N ARG A 42 7.617 0.933 -0.481 1.00 0.00 N ATOM 652 CA ARG A 42 6.567 1.817 -0.996 1.00 0.00 C ATOM 653 C ARG A 42 5.457 0.982 -1.650 1.00 0.00 C ATOM 654 O ARG A 42 5.653 -0.200 -1.936 1.00 0.00 O ATOM 655 CB ARG A 42 7.111 2.750 -2.084 1.00 0.00 C ATOM 656 CG ARG A 42 8.190 3.768 -1.707 1.00 0.00 C ATOM 657 CD ARG A 42 8.451 4.576 -2.980 1.00 0.00 C ATOM 658 NE ARG A 42 9.361 5.701 -2.768 1.00 0.00 N ATOM 659 CZ ARG A 42 9.639 6.625 -3.689 1.00 0.00 C ATOM 660 NH1 ARG A 42 9.191 6.529 -4.936 1.00 0.00 N ATOM 661 NH2 ARG A 42 10.416 7.647 -3.376 1.00 0.00 N ATOM 0 H ARG A 42 7.604 0.019 -0.933 1.00 0.00 H new ATOM 0 HA ARG A 42 6.192 2.396 -0.152 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.510 2.127 -2.885 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.267 3.301 -2.499 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.855 4.413 -0.895 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.097 3.270 -1.365 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.868 3.918 -3.742 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.503 4.951 -3.366 1.00 0.00 H new ATOM 0 HE ARG A 42 9.812 5.784 -1.857 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.617 5.732 -5.212 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.421 7.252 -5.618 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.800 7.726 -2.434 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.632 8.357 -4.076 1.00 0.00 H new ATOM 675 N LEU A 43 4.315 1.605 -1.965 1.00 0.00 N ATOM 676 CA LEU A 43 3.163 0.971 -2.616 1.00 0.00 C ATOM 677 C LEU A 43 2.840 1.728 -3.910 1.00 0.00 C ATOM 678 O LEU A 43 3.221 2.891 -4.080 1.00 0.00 O ATOM 679 CB LEU A 43 1.920 0.982 -1.693 1.00 0.00 C ATOM 680 CG LEU A 43 1.783 -0.124 -0.627 1.00 0.00 C ATOM 681 CD1 LEU A 43 1.685 -1.518 -1.255 1.00 0.00 C ATOM 682 CD2 LEU A 43 2.884 -0.108 0.435 1.00 0.00 C ATOM 0 H LEU A 43 4.163 2.594 -1.768 1.00 0.00 H new ATOM 0 HA LEU A 43 3.417 -0.066 -2.834 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.898 1.943 -1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.035 0.941 -2.328 1.00 0.00 H new ATOM 0 HG LEU A 43 0.848 0.105 -0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.590 -2.266 -0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.812 -1.563 -1.906 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.583 -1.718 -1.839 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.715 -0.916 1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.854 -0.243 -0.044 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.869 0.847 0.960 1.00 0.00 H new ATOM 694 N ILE A 44 2.110 1.081 -4.819 1.00 0.00 N ATOM 695 CA ILE A 44 1.654 1.590 -6.112 1.00 0.00 C ATOM 696 C ILE A 44 0.208 1.100 -6.267 1.00 0.00 C ATOM 697 O ILE A 44 -0.069 -0.023 -5.863 1.00 0.00 O ATOM 698 CB ILE A 44 2.492 1.020 -7.294 1.00 0.00 C ATOM 699 CG1 ILE A 44 4.020 1.224 -7.217 1.00 0.00 C ATOM 700 CG2 ILE A 44 1.977 1.520 -8.662 1.00 0.00 C ATOM 701 CD1 ILE A 44 4.532 2.575 -7.730 1.00 0.00 C ATOM 0 H ILE A 44 1.801 0.122 -4.660 1.00 0.00 H new ATOM 0 HA ILE A 44 1.751 2.675 -6.137 1.00 0.00 H new ATOM 0 HB ILE A 44 2.337 -0.054 -7.194 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.333 1.107 -6.179 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.504 0.431 -7.787 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.590 1.098 -9.458 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.942 1.208 -8.797 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.035 2.608 -8.697 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.617 2.614 -7.631 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.259 2.693 -8.779 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.085 3.379 -7.146 1.00 0.00 H new ATOM 713 N PHE A 45 -0.678 1.882 -6.880 1.00 0.00 N ATOM 714 CA PHE A 45 -2.085 1.601 -7.172 1.00 0.00 C ATOM 715 C PHE A 45 -2.283 2.135 -8.586 1.00 0.00 C ATOM 716 O PHE A 45 -2.409 3.347 -8.786 1.00 0.00 O ATOM 717 CB PHE A 45 -3.021 2.326 -6.196 1.00 0.00 C ATOM 718 CG PHE A 45 -4.447 2.470 -6.696 1.00 0.00 C ATOM 719 CD1 PHE A 45 -5.004 3.748 -6.881 1.00 0.00 C ATOM 720 CD2 PHE A 45 -5.192 1.329 -7.039 1.00 0.00 C ATOM 721 CE1 PHE A 45 -6.291 3.888 -7.431 1.00 0.00 C ATOM 722 CE2 PHE A 45 -6.464 1.471 -7.623 1.00 0.00 C ATOM 723 CZ PHE A 45 -7.017 2.749 -7.819 1.00 0.00 C ATOM 0 H PHE A 45 -0.409 2.807 -7.214 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.316 0.540 -7.076 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.032 1.785 -5.250 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.617 3.318 -5.991 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.441 4.626 -6.600 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.789 0.344 -6.855 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.721 4.871 -7.555 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.019 0.594 -7.922 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.995 2.855 -8.265 1.00 0.00 H new ATOM 733 N ALA A 46 -2.330 1.236 -9.566 1.00 0.00 N ATOM 734 CA ALA A 46 -2.519 1.530 -10.978 1.00 0.00 C ATOM 735 C ALA A 46 -1.580 2.651 -11.415 1.00 0.00 C ATOM 736 O ALA A 46 -2.008 3.743 -11.791 1.00 0.00 O ATOM 737 CB ALA A 46 -4.004 1.780 -11.270 1.00 0.00 C ATOM 0 H ALA A 46 -2.232 0.237 -9.385 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.243 0.670 -11.589 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.135 1.999 -12.330 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.581 0.892 -11.009 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.354 2.626 -10.679 1.00 0.00 H new ATOM 743 N GLY A 47 -0.283 2.394 -11.269 1.00 0.00 N ATOM 744 CA GLY A 47 0.784 3.305 -11.632 1.00 0.00 C ATOM 745 C GLY A 47 0.971 4.527 -10.728 1.00 0.00 C ATOM 746 O GLY A 47 1.927 5.272 -10.959 1.00 0.00 O ATOM 0 H GLY A 47 0.059 1.515 -10.881 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.720 2.746 -11.649 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.603 3.656 -12.648 1.00 0.00 H new ATOM 750 N LYS A 48 0.106 4.780 -9.734 1.00 0.00 N ATOM 751 CA LYS A 48 0.260 5.926 -8.842 1.00 0.00 C ATOM 752 C LYS A 48 0.978 5.440 -7.598 1.00 0.00 C ATOM 753 O LYS A 48 0.560 4.438 -7.027 1.00 0.00 O ATOM 754 CB LYS A 48 -1.109 6.521 -8.489 1.00 0.00 C ATOM 755 CG LYS A 48 -0.955 7.779 -7.609 1.00 0.00 C ATOM 756 CD LYS A 48 -2.124 8.747 -7.804 1.00 0.00 C ATOM 757 CE LYS A 48 -1.977 9.439 -9.164 1.00 0.00 C ATOM 758 NZ LYS A 48 -3.262 9.962 -9.661 1.00 0.00 N ATOM 0 H LYS A 48 -0.709 4.200 -9.532 1.00 0.00 H new ATOM 0 HA LYS A 48 0.837 6.715 -9.325 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.645 6.776 -9.403 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.709 5.777 -7.964 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.895 7.486 -6.561 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.020 8.283 -7.853 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.071 8.209 -7.756 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.137 9.487 -7.004 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.262 10.257 -9.079 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.569 8.733 -9.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.117 10.422 -10.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.938 9.179 -9.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.640 10.655 -8.984 1.00 0.00 H new ATOM 772 N GLN A 49 2.036 6.132 -7.191 1.00 0.00 N ATOM 773 CA GLN A 49 2.819 5.794 -6.015 1.00 0.00 C ATOM 774 C GLN A 49 2.007 6.313 -4.836 1.00 0.00 C ATOM 775 O GLN A 49 1.487 7.434 -4.882 1.00 0.00 O ATOM 776 CB GLN A 49 4.202 6.477 -6.023 1.00 0.00 C ATOM 777 CG GLN A 49 5.143 6.206 -7.213 1.00 0.00 C ATOM 778 CD GLN A 49 4.591 6.525 -8.606 1.00 0.00 C ATOM 779 OE1 GLN A 49 3.906 7.643 -8.799 1.00 0.00 O flip ATOM 780 NE2 GLN A 49 4.777 5.752 -9.538 1.00 0.00 N flip ATOM 0 H GLN A 49 2.378 6.959 -7.681 1.00 0.00 H new ATOM 0 HA GLN A 49 3.004 4.721 -5.972 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.042 7.554 -5.964 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.724 6.182 -5.113 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.055 6.785 -7.066 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.427 5.154 -7.191 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.304 4.892 -9.389 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.405 5.969 -10.463 1.00 0.00 H new ATOM 789 N LEU A 50 1.887 5.504 -3.792 1.00 0.00 N ATOM 790 CA LEU A 50 1.130 5.847 -2.602 1.00 0.00 C ATOM 791 C LEU A 50 2.104 6.029 -1.459 1.00 0.00 C ATOM 792 O LEU A 50 2.928 5.147 -1.203 1.00 0.00 O ATOM 793 CB LEU A 50 0.102 4.751 -2.295 1.00 0.00 C ATOM 794 CG LEU A 50 -0.871 4.468 -3.456 1.00 0.00 C ATOM 795 CD1 LEU A 50 -1.808 3.345 -3.032 1.00 0.00 C ATOM 796 CD2 LEU A 50 -1.696 5.688 -3.875 1.00 0.00 C ATOM 0 H LEU A 50 2.319 4.581 -3.750 1.00 0.00 H new ATOM 0 HA LEU A 50 0.577 6.774 -2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.630 3.831 -2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.472 5.040 -1.415 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.273 4.190 -4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.506 3.129 -3.841 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.226 2.451 -2.806 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.364 3.650 -2.145 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.358 5.415 -4.696 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.290 6.033 -3.029 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.027 6.486 -4.198 1.00 0.00 H new ATOM 808 N GLU A 51 2.022 7.183 -0.812 1.00 0.00 N ATOM 809 CA GLU A 51 2.834 7.588 0.322 1.00 0.00 C ATOM 810 C GLU A 51 1.897 8.226 1.344 1.00 0.00 C ATOM 811 O GLU A 51 0.778 8.630 0.997 1.00 0.00 O ATOM 812 CB GLU A 51 3.952 8.537 -0.131 1.00 0.00 C ATOM 813 CG GLU A 51 3.451 9.913 -0.608 1.00 0.00 C ATOM 814 CD GLU A 51 4.208 10.431 -1.840 1.00 0.00 C ATOM 815 OE1 GLU A 51 5.457 10.524 -1.844 1.00 0.00 O ATOM 816 OE2 GLU A 51 3.579 10.725 -2.887 1.00 0.00 O ATOM 0 H GLU A 51 1.349 7.900 -1.081 1.00 0.00 H new ATOM 0 HA GLU A 51 3.335 6.735 0.780 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.648 8.682 0.695 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.510 8.065 -0.940 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.389 9.846 -0.842 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.553 10.633 0.204 1.00 0.00 H new ATOM 823 N ASP A 52 2.331 8.276 2.600 1.00 0.00 N ATOM 824 CA ASP A 52 1.550 8.836 3.694 1.00 0.00 C ATOM 825 C ASP A 52 1.347 10.343 3.588 1.00 0.00 C ATOM 826 O ASP A 52 1.939 11.017 2.745 1.00 0.00 O ATOM 827 CB ASP A 52 2.079 8.367 5.062 1.00 0.00 C ATOM 828 CG ASP A 52 3.457 8.933 5.395 1.00 0.00 C ATOM 829 OD1 ASP A 52 3.637 9.573 6.458 1.00 0.00 O ATOM 830 OD2 ASP A 52 4.407 8.696 4.618 1.00 0.00 O ATOM 0 H ASP A 52 3.244 7.925 2.888 1.00 0.00 H new ATOM 0 HA ASP A 52 0.542 8.432 3.603 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.374 8.662 5.839 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.127 7.278 5.073 1.00 0.00 H new ATOM 835 N GLY A 53 0.463 10.858 4.440 1.00 0.00 N ATOM 836 CA GLY A 53 0.057 12.251 4.515 1.00 0.00 C ATOM 837 C GLY A 53 -1.349 12.427 3.933 1.00 0.00 C ATOM 838 O GLY A 53 -1.840 13.554 3.865 1.00 0.00 O ATOM 0 H GLY A 53 -0.012 10.279 5.132 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.073 12.586 5.552 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.765 12.873 3.968 1.00 0.00 H new ATOM 842 N ARG A 54 -1.998 11.345 3.480 1.00 0.00 N ATOM 843 CA ARG A 54 -3.330 11.320 2.892 1.00 0.00 C ATOM 844 C ARG A 54 -4.148 10.136 3.411 1.00 0.00 C ATOM 845 O ARG A 54 -3.659 9.343 4.223 1.00 0.00 O ATOM 846 CB ARG A 54 -3.225 11.189 1.375 1.00 0.00 C ATOM 847 CG ARG A 54 -2.086 11.956 0.703 1.00 0.00 C ATOM 848 CD ARG A 54 -2.603 12.380 -0.657 1.00 0.00 C ATOM 849 NE ARG A 54 -1.520 12.862 -1.517 1.00 0.00 N ATOM 850 CZ ARG A 54 -1.635 13.265 -2.781 1.00 0.00 C ATOM 851 NH1 ARG A 54 -2.825 13.291 -3.373 1.00 0.00 N ATOM 852 NH2 ARG A 54 -0.542 13.653 -3.432 1.00 0.00 N ATOM 0 H ARG A 54 -1.578 10.416 3.520 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.826 12.250 3.169 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.116 10.132 1.130 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.166 11.522 0.937 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.798 12.823 1.297 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.200 11.329 0.604 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.102 11.538 -1.136 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.349 13.165 -0.535 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.586 12.892 -1.108 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.657 13.001 -2.859 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.906 13.601 -4.341 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.363 13.638 -2.963 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.609 13.965 -4.401 1.00 0.00 H new ATOM 866 N THR A 55 -5.359 10.000 2.889 1.00 0.00 N ATOM 867 CA THR A 55 -6.312 8.945 3.180 1.00 0.00 C ATOM 868 C THR A 55 -6.551 8.161 1.894 1.00 0.00 C ATOM 869 O THR A 55 -6.131 8.572 0.804 1.00 0.00 O ATOM 870 CB THR A 55 -7.636 9.534 3.686 1.00 0.00 C ATOM 871 OG1 THR A 55 -8.163 10.460 2.750 1.00 0.00 O ATOM 872 CG2 THR A 55 -7.485 10.181 5.055 1.00 0.00 C ATOM 0 H THR A 55 -5.722 10.667 2.208 1.00 0.00 H new ATOM 0 HA THR A 55 -5.916 8.294 3.959 1.00 0.00 H new ATOM 0 HB THR A 55 -8.339 8.708 3.793 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.536 11.205 2.638 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.446 10.585 5.375 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.147 9.435 5.775 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.754 10.987 4.998 1.00 0.00 H new ATOM 880 N LEU A 56 -7.243 7.031 2.008 1.00 0.00 N ATOM 881 CA LEU A 56 -7.568 6.211 0.853 1.00 0.00 C ATOM 882 C LEU A 56 -8.531 6.972 -0.073 1.00 0.00 C ATOM 883 O LEU A 56 -8.529 6.752 -1.286 1.00 0.00 O ATOM 884 CB LEU A 56 -8.214 4.915 1.345 1.00 0.00 C ATOM 885 CG LEU A 56 -7.817 3.706 0.485 1.00 0.00 C ATOM 886 CD1 LEU A 56 -7.025 2.707 1.325 1.00 0.00 C ATOM 887 CD2 LEU A 56 -9.057 3.060 -0.123 1.00 0.00 C ATOM 0 H LEU A 56 -7.589 6.664 2.894 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.664 5.979 0.290 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.921 4.735 2.379 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.298 5.025 1.335 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.180 4.041 -0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.747 1.852 0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.124 3.187 1.707 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.638 2.368 2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.761 2.204 -0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.722 2.727 0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.576 3.786 -0.748 1.00 0.00 H new ATOM 899 N SER A 57 -9.351 7.860 0.508 1.00 0.00 N ATOM 900 CA SER A 57 -10.321 8.678 -0.206 1.00 0.00 C ATOM 901 C SER A 57 -9.608 9.730 -1.056 1.00 0.00 C ATOM 902 O SER A 57 -10.002 9.948 -2.201 1.00 0.00 O ATOM 903 CB SER A 57 -11.256 9.325 0.823 1.00 0.00 C ATOM 904 OG SER A 57 -12.348 10.017 0.246 1.00 0.00 O ATOM 0 H SER A 57 -9.352 8.028 1.514 1.00 0.00 H new ATOM 0 HA SER A 57 -10.909 8.062 -0.887 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.639 8.552 1.489 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.681 10.019 1.437 1.00 0.00 H new ATOM 0 HG SER A 57 -12.903 10.403 0.956 1.00 0.00 H new ATOM 910 N ASP A 58 -8.542 10.346 -0.535 1.00 0.00 N ATOM 911 CA ASP A 58 -7.780 11.379 -1.242 1.00 0.00 C ATOM 912 C ASP A 58 -7.169 10.825 -2.523 1.00 0.00 C ATOM 913 O ASP A 58 -7.164 11.502 -3.549 1.00 0.00 O ATOM 914 CB ASP A 58 -6.638 11.921 -0.383 1.00 0.00 C ATOM 915 CG ASP A 58 -7.085 12.700 0.846 1.00 0.00 C ATOM 916 OD1 ASP A 58 -6.473 12.479 1.916 1.00 0.00 O ATOM 917 OD2 ASP A 58 -8.005 13.546 0.772 1.00 0.00 O ATOM 0 H ASP A 58 -8.181 10.140 0.397 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.484 12.179 -1.470 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.015 11.086 -0.061 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.012 12.567 -0.999 1.00 0.00 H new ATOM 922 N TYR A 59 -6.626 9.602 -2.477 1.00 0.00 N ATOM 923 CA TYR A 59 -6.033 8.980 -3.659 1.00 0.00 C ATOM 924 C TYR A 59 -7.109 8.390 -4.574 1.00 0.00 C ATOM 925 O TYR A 59 -6.784 7.896 -5.659 1.00 0.00 O ATOM 926 CB TYR A 59 -5.039 7.899 -3.239 1.00 0.00 C ATOM 927 CG TYR A 59 -3.714 8.441 -2.759 1.00 0.00 C ATOM 928 CD1 TYR A 59 -2.806 9.005 -3.676 1.00 0.00 C ATOM 929 CD2 TYR A 59 -3.374 8.339 -1.402 1.00 0.00 C ATOM 930 CE1 TYR A 59 -1.544 9.443 -3.238 1.00 0.00 C ATOM 931 CE2 TYR A 59 -2.111 8.759 -0.962 1.00 0.00 C ATOM 932 CZ TYR A 59 -1.190 9.304 -1.878 1.00 0.00 C ATOM 933 OH TYR A 59 0.038 9.689 -1.452 1.00 0.00 O ATOM 0 H TYR A 59 -6.587 9.028 -1.635 1.00 0.00 H new ATOM 0 HA TYR A 59 -5.504 9.751 -4.220 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.484 7.298 -2.446 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.864 7.232 -4.083 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.079 9.101 -4.716 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.085 7.937 -0.696 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.849 9.883 -3.938 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.844 8.665 0.080 1.00 0.00 H new ATOM 0 HH TYR A 59 0.176 9.383 -0.531 1.00 0.00 H new ATOM 943 N ASN A 60 -8.375 8.454 -4.153 1.00 0.00 N ATOM 944 CA ASN A 60 -9.555 7.960 -4.838 1.00 0.00 C ATOM 945 C ASN A 60 -9.310 6.535 -5.342 1.00 0.00 C ATOM 946 O ASN A 60 -9.243 6.257 -6.542 1.00 0.00 O ATOM 947 CB ASN A 60 -9.968 8.950 -5.928 1.00 0.00 C ATOM 948 CG ASN A 60 -11.261 8.499 -6.511 1.00 0.00 C ATOM 949 OD1 ASN A 60 -12.262 8.324 -5.823 1.00 0.00 O ATOM 950 ND2 ASN A 60 -11.215 8.183 -7.778 1.00 0.00 N ATOM 0 H ASN A 60 -8.610 8.885 -3.259 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.400 7.891 -4.153 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.070 9.952 -5.511 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.202 9.003 -6.701 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.032 7.774 -8.232 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.362 8.345 -8.313 1.00 0.00 H new ATOM 957 N ILE A 61 -9.150 5.629 -4.386 1.00 0.00 N ATOM 958 CA ILE A 61 -8.873 4.214 -4.592 1.00 0.00 C ATOM 959 C ILE A 61 -10.178 3.443 -4.447 1.00 0.00 C ATOM 960 O ILE A 61 -10.844 3.502 -3.412 1.00 0.00 O ATOM 961 CB ILE A 61 -7.772 3.732 -3.616 1.00 0.00 C ATOM 962 CG1 ILE A 61 -6.543 4.665 -3.692 1.00 0.00 C ATOM 963 CG2 ILE A 61 -7.398 2.269 -3.906 1.00 0.00 C ATOM 964 CD1 ILE A 61 -5.331 4.216 -2.876 1.00 0.00 C ATOM 0 H ILE A 61 -9.213 5.873 -3.398 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.484 4.036 -5.595 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.157 3.775 -2.597 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.243 4.759 -4.736 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.840 5.658 -3.355 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.623 1.947 -3.211 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.278 1.638 -3.786 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.027 2.184 -4.927 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.523 4.938 -2.997 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.605 4.151 -1.823 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.999 3.238 -3.225 1.00 0.00 H new ATOM 976 N GLN A 62 -10.559 2.735 -5.506 1.00 0.00 N ATOM 977 CA GLN A 62 -11.771 1.931 -5.558 1.00 0.00 C ATOM 978 C GLN A 62 -11.550 0.616 -4.810 1.00 0.00 C ATOM 979 O GLN A 62 -10.410 0.208 -4.550 1.00 0.00 O ATOM 980 CB GLN A 62 -12.149 1.655 -7.026 1.00 0.00 C ATOM 981 CG GLN A 62 -12.677 2.897 -7.764 1.00 0.00 C ATOM 982 CD GLN A 62 -11.644 4.017 -7.829 1.00 0.00 C ATOM 983 OE1 GLN A 62 -10.600 3.886 -8.463 1.00 0.00 O ATOM 984 NE2 GLN A 62 -11.851 5.116 -7.123 1.00 0.00 N ATOM 0 H GLN A 62 -10.019 2.705 -6.371 1.00 0.00 H new ATOM 0 HA GLN A 62 -12.587 2.474 -5.081 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -11.275 1.273 -7.553 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -12.908 0.873 -7.057 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -12.970 2.618 -8.776 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -13.573 3.261 -7.262 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -12.717 5.228 -6.596 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.145 5.852 -7.106 1.00 0.00 H new ATOM 993 N LYS A 63 -12.654 -0.045 -4.457 1.00 0.00 N ATOM 994 CA LYS A 63 -12.602 -1.316 -3.751 1.00 0.00 C ATOM 995 C LYS A 63 -11.966 -2.387 -4.641 1.00 0.00 C ATOM 996 O LYS A 63 -11.952 -2.227 -5.865 1.00 0.00 O ATOM 997 CB LYS A 63 -13.995 -1.689 -3.211 1.00 0.00 C ATOM 998 CG LYS A 63 -15.018 -2.023 -4.310 1.00 0.00 C ATOM 999 CD LYS A 63 -16.360 -2.426 -3.691 1.00 0.00 C ATOM 1000 CE LYS A 63 -17.406 -2.619 -4.791 1.00 0.00 C ATOM 1001 NZ LYS A 63 -18.692 -3.104 -4.258 1.00 0.00 N ATOM 0 H LYS A 63 -13.599 0.286 -4.653 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.959 -1.233 -2.875 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.899 -2.546 -2.545 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -14.376 -0.861 -2.612 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.156 -1.160 -4.961 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.640 -2.834 -4.932 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -16.245 -3.348 -3.121 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.693 -1.659 -2.992 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.563 -1.674 -5.310 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -17.029 -3.329 -5.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -19.370 -3.220 -5.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -18.549 -4.019 -3.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -19.066 -2.416 -3.574 1.00 0.00 H new ATOM 1015 N GLU A 64 -11.494 -3.489 -4.053 1.00 0.00 N ATOM 1016 CA GLU A 64 -10.838 -4.600 -4.729 1.00 0.00 C ATOM 1017 C GLU A 64 -9.785 -4.124 -5.743 1.00 0.00 C ATOM 1018 O GLU A 64 -9.787 -4.506 -6.918 1.00 0.00 O ATOM 1019 CB GLU A 64 -11.853 -5.598 -5.295 1.00 0.00 C ATOM 1020 CG GLU A 64 -12.693 -6.298 -4.214 1.00 0.00 C ATOM 1021 CD GLU A 64 -12.698 -7.806 -4.446 1.00 0.00 C ATOM 1022 OE1 GLU A 64 -13.101 -8.245 -5.546 1.00 0.00 O ATOM 1023 OE2 GLU A 64 -12.205 -8.548 -3.566 1.00 0.00 O ATOM 0 H GLU A 64 -11.564 -3.633 -3.046 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.272 -5.157 -3.982 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -12.520 -5.076 -5.981 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.323 -6.352 -5.877 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -12.287 -6.076 -3.227 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -13.714 -5.916 -4.232 1.00 0.00 H new ATOM 1030 N SER A 65 -8.934 -3.195 -5.304 1.00 0.00 N ATOM 1031 CA SER A 65 -7.836 -2.662 -6.097 1.00 0.00 C ATOM 1032 C SER A 65 -6.698 -3.706 -6.031 1.00 0.00 C ATOM 1033 O SER A 65 -6.817 -4.691 -5.294 1.00 0.00 O ATOM 1034 CB SER A 65 -7.470 -1.255 -5.602 1.00 0.00 C ATOM 1035 OG SER A 65 -7.970 -0.962 -4.310 1.00 0.00 O ATOM 0 H SER A 65 -8.994 -2.788 -4.371 1.00 0.00 H new ATOM 0 HA SER A 65 -8.090 -2.517 -7.147 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.385 -1.152 -5.595 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.855 -0.519 -6.307 1.00 0.00 H new ATOM 0 HG SER A 65 -8.787 -0.426 -4.389 1.00 0.00 H new ATOM 1041 N THR A 66 -5.603 -3.534 -6.780 1.00 0.00 N ATOM 1042 CA THR A 66 -4.510 -4.497 -6.796 1.00 0.00 C ATOM 1043 C THR A 66 -3.270 -3.643 -6.832 1.00 0.00 C ATOM 1044 O THR A 66 -2.876 -3.124 -7.882 1.00 0.00 O ATOM 1045 CB THR A 66 -4.626 -5.478 -7.981 1.00 0.00 C ATOM 1046 OG1 THR A 66 -5.873 -6.142 -7.950 1.00 0.00 O ATOM 1047 CG2 THR A 66 -3.521 -6.541 -7.945 1.00 0.00 C ATOM 0 H THR A 66 -5.455 -2.727 -7.386 1.00 0.00 H new ATOM 0 HA THR A 66 -4.508 -5.156 -5.927 1.00 0.00 H new ATOM 0 HB THR A 66 -4.529 -4.888 -8.892 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.933 -6.760 -8.708 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.635 -7.214 -8.795 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.547 -6.055 -7.996 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.594 -7.111 -7.019 1.00 0.00 H new ATOM 1055 N LEU A 67 -2.742 -3.396 -5.645 1.00 0.00 N ATOM 1056 CA LEU A 67 -1.569 -2.585 -5.439 1.00 0.00 C ATOM 1057 C LEU A 67 -0.320 -3.415 -5.724 1.00 0.00 C ATOM 1058 O LEU A 67 -0.388 -4.645 -5.767 1.00 0.00 O ATOM 1059 CB LEU A 67 -1.597 -2.032 -4.000 1.00 0.00 C ATOM 1060 CG LEU A 67 -2.543 -0.822 -3.835 1.00 0.00 C ATOM 1061 CD1 LEU A 67 -4.018 -1.099 -4.153 1.00 0.00 C ATOM 1062 CD2 LEU A 67 -2.470 -0.260 -2.417 1.00 0.00 C ATOM 0 H LEU A 67 -3.133 -3.767 -4.779 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.553 -1.737 -6.123 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.907 -2.824 -3.319 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.588 -1.739 -3.710 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.181 -0.106 -4.573 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.599 -0.188 -4.007 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.112 -1.427 -5.188 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.393 -1.879 -3.490 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.145 0.591 -2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.762 -1.031 -1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.450 0.062 -2.205 1.00 0.00 H new ATOM 1074 N HIS A 68 0.813 -2.742 -5.918 1.00 0.00 N ATOM 1075 CA HIS A 68 2.122 -3.333 -6.180 1.00 0.00 C ATOM 1076 C HIS A 68 3.117 -2.803 -5.146 1.00 0.00 C ATOM 1077 O HIS A 68 3.295 -1.589 -5.015 1.00 0.00 O ATOM 1078 CB HIS A 68 2.600 -3.027 -7.613 1.00 0.00 C ATOM 1079 CG HIS A 68 2.378 -4.128 -8.622 1.00 0.00 C ATOM 1080 ND1 HIS A 68 3.125 -4.309 -9.768 1.00 0.00 N ATOM 1081 CD2 HIS A 68 1.360 -5.042 -8.632 1.00 0.00 C ATOM 1082 CE1 HIS A 68 2.592 -5.363 -10.416 1.00 0.00 C ATOM 1083 NE2 HIS A 68 1.512 -5.825 -9.773 1.00 0.00 N ATOM 0 H HIS A 68 0.843 -1.723 -5.896 1.00 0.00 H new ATOM 0 HA HIS A 68 2.049 -4.417 -6.095 1.00 0.00 H new ATOM 0 HB2 HIS A 68 2.091 -2.129 -7.963 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.665 -2.797 -7.581 1.00 0.00 H new ATOM 0 HD1 HIS A 68 3.926 -3.752 -10.067 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.581 -5.138 -7.890 1.00 0.00 H new ATOM 0 HE1 HIS A 68 2.984 -5.780 -11.332 1.00 0.00 H new ATOM 1090 N LEU A 69 3.706 -3.703 -4.353 1.00 0.00 N ATOM 1091 CA LEU A 69 4.706 -3.378 -3.343 1.00 0.00 C ATOM 1092 C LEU A 69 5.990 -3.221 -4.128 1.00 0.00 C ATOM 1093 O LEU A 69 6.295 -4.062 -4.976 1.00 0.00 O ATOM 1094 CB LEU A 69 4.913 -4.530 -2.349 1.00 0.00 C ATOM 1095 CG LEU A 69 3.977 -4.510 -1.133 1.00 0.00 C ATOM 1096 CD1 LEU A 69 3.848 -5.923 -0.566 1.00 0.00 C ATOM 1097 CD2 LEU A 69 4.499 -3.558 -0.053 1.00 0.00 C ATOM 0 H LEU A 69 3.493 -4.699 -4.400 1.00 0.00 H new ATOM 0 HA LEU A 69 4.405 -2.499 -2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.779 -5.474 -2.877 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.944 -4.505 -1.996 1.00 0.00 H new ATOM 0 HG LEU A 69 2.998 -4.153 -1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.183 -5.909 0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.438 -6.585 -1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.830 -6.284 -0.262 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.817 -3.563 0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.487 -3.884 0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.565 -2.549 -0.459 1.00 0.00 H new ATOM 1109 N VAL A 70 6.732 -2.160 -3.864 1.00 0.00 N ATOM 1110 CA VAL A 70 7.983 -1.876 -4.537 1.00 0.00 C ATOM 1111 C VAL A 70 8.929 -1.209 -3.544 1.00 0.00 C ATOM 1112 O VAL A 70 8.540 -0.876 -2.424 1.00 0.00 O ATOM 1113 CB VAL A 70 7.727 -0.997 -5.784 1.00 0.00 C ATOM 1114 CG1 VAL A 70 6.937 -1.710 -6.892 1.00 0.00 C ATOM 1115 CG2 VAL A 70 7.027 0.329 -5.458 1.00 0.00 C ATOM 0 H VAL A 70 6.477 -1.462 -3.165 1.00 0.00 H new ATOM 0 HA VAL A 70 8.448 -2.797 -4.889 1.00 0.00 H new ATOM 0 HB VAL A 70 8.730 -0.787 -6.155 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.797 -1.031 -7.733 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.489 -2.590 -7.224 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.964 -2.016 -6.506 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.878 0.897 -6.376 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.061 0.126 -4.995 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.644 0.907 -4.770 1.00 0.00 H new ATOM 1125 N LEU A 71 10.184 -1.021 -3.939 1.00 0.00 N ATOM 1126 CA LEU A 71 11.191 -0.369 -3.121 1.00 0.00 C ATOM 1127 C LEU A 71 11.949 0.590 -4.026 1.00 0.00 C ATOM 1128 O LEU A 71 12.306 0.264 -5.164 1.00 0.00 O ATOM 1129 CB LEU A 71 12.036 -1.373 -2.323 1.00 0.00 C ATOM 1130 CG LEU A 71 12.933 -2.353 -3.098 1.00 0.00 C ATOM 1131 CD1 LEU A 71 14.323 -1.761 -3.334 1.00 0.00 C ATOM 1132 CD2 LEU A 71 13.126 -3.635 -2.284 1.00 0.00 C ATOM 0 H LEU A 71 10.531 -1.323 -4.849 1.00 0.00 H new ATOM 0 HA LEU A 71 10.746 0.223 -2.321 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.673 -0.805 -1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 71 11.357 -1.961 -1.706 1.00 0.00 H new ATOM 0 HG LEU A 71 12.444 -2.555 -4.051 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.935 -2.476 -3.884 1.00 0.00 H new ATOM 0 HD12 LEU A 71 14.233 -0.841 -3.911 1.00 0.00 H new ATOM 0 HD13 LEU A 71 14.793 -1.543 -2.375 1.00 0.00 H new ATOM 0 HD21 LEU A 71 13.762 -4.325 -2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 71 13.596 -3.393 -1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 71 12.157 -4.100 -2.103 1.00 0.00 H new ATOM 1144 N ARG A 72 12.066 1.833 -3.571 1.00 0.00 N ATOM 1145 CA ARG A 72 12.746 2.927 -4.245 1.00 0.00 C ATOM 1146 C ARG A 72 13.319 3.847 -3.183 1.00 0.00 C ATOM 1147 O ARG A 72 12.596 4.261 -2.271 1.00 0.00 O ATOM 1148 CB ARG A 72 11.779 3.653 -5.177 1.00 0.00 C ATOM 1149 CG ARG A 72 12.553 4.521 -6.175 1.00 0.00 C ATOM 1150 CD ARG A 72 12.750 5.979 -5.749 1.00 0.00 C ATOM 1151 NE ARG A 72 13.004 6.802 -6.936 1.00 0.00 N ATOM 1152 CZ ARG A 72 13.945 7.720 -7.150 1.00 0.00 C ATOM 1153 NH1 ARG A 72 14.868 8.003 -6.238 1.00 0.00 N ATOM 1154 NH2 ARG A 72 13.939 8.360 -8.311 1.00 0.00 N ATOM 0 H ARG A 72 11.668 2.116 -2.676 1.00 0.00 H new ATOM 0 HA ARG A 72 13.560 2.556 -4.867 1.00 0.00 H new ATOM 0 HB2 ARG A 72 11.167 2.928 -5.713 1.00 0.00 H new ATOM 0 HB3 ARG A 72 11.099 4.275 -4.594 1.00 0.00 H new ATOM 0 HG2 ARG A 72 13.532 4.072 -6.341 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.028 4.505 -7.130 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.865 6.339 -5.225 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.585 6.057 -5.053 1.00 0.00 H new ATOM 0 HE ARG A 72 12.364 6.648 -7.715 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.869 7.512 -5.344 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.576 8.711 -6.432 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.227 8.144 -9.009 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.646 9.069 -8.506 1.00 0.00 H new ATOM 1168 N LEU A 73 14.589 4.211 -3.307 1.00 0.00 N ATOM 1169 CA LEU A 73 15.278 5.058 -2.342 1.00 0.00 C ATOM 1170 C LEU A 73 16.049 6.190 -3.002 1.00 0.00 C ATOM 1171 O LEU A 73 15.997 6.362 -4.224 1.00 0.00 O ATOM 1172 CB LEU A 73 16.204 4.147 -1.504 1.00 0.00 C ATOM 1173 CG LEU A 73 15.608 3.827 -0.128 1.00 0.00 C ATOM 1174 CD1 LEU A 73 16.408 2.706 0.530 1.00 0.00 C ATOM 1175 CD2 LEU A 73 15.610 5.072 0.757 1.00 0.00 C ATOM 0 H LEU A 73 15.176 3.923 -4.090 1.00 0.00 H new ATOM 0 HA LEU A 73 14.546 5.550 -1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 73 16.384 3.218 -2.045 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.171 4.634 -1.375 1.00 0.00 H new ATOM 0 HG LEU A 73 14.576 3.500 -0.256 1.00 0.00 H new ATOM 0 HD11 LEU A 73 15.982 2.481 1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 73 16.369 1.815 -0.097 1.00 0.00 H new ATOM 0 HD13 LEU A 73 17.445 3.021 0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 73 15.184 4.827 1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 73 16.633 5.424 0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 73 15.014 5.854 0.286 1.00 0.00 H new ATOM 1187 N ARG A 74 16.700 6.997 -2.161 1.00 0.00 N ATOM 1188 CA ARG A 74 17.529 8.133 -2.546 1.00 0.00 C ATOM 1189 C ARG A 74 18.791 7.612 -3.242 1.00 0.00 C ATOM 1190 O ARG A 74 19.065 6.413 -3.201 1.00 0.00 O ATOM 1191 CB ARG A 74 17.837 8.982 -1.300 1.00 0.00 C ATOM 1192 CG ARG A 74 18.833 8.295 -0.356 1.00 0.00 C ATOM 1193 CD ARG A 74 19.075 9.110 0.909 1.00 0.00 C ATOM 1194 NE ARG A 74 20.295 8.667 1.588 1.00 0.00 N ATOM 1195 CZ ARG A 74 20.855 9.249 2.652 1.00 0.00 C ATOM 1196 NH1 ARG A 74 20.241 10.247 3.290 1.00 0.00 N ATOM 1197 NH2 ARG A 74 22.043 8.824 3.049 1.00 0.00 N ATOM 0 H ARG A 74 16.660 6.868 -1.150 1.00 0.00 H new ATOM 0 HA ARG A 74 17.010 8.780 -3.253 1.00 0.00 H new ATOM 0 HB2 ARG A 74 18.241 9.946 -1.611 1.00 0.00 H new ATOM 0 HB3 ARG A 74 16.910 9.183 -0.762 1.00 0.00 H new ATOM 0 HG2 ARG A 74 18.455 7.309 -0.085 1.00 0.00 H new ATOM 0 HG3 ARG A 74 19.779 8.142 -0.876 1.00 0.00 H new ATOM 0 HD2 ARG A 74 19.158 10.167 0.656 1.00 0.00 H new ATOM 0 HD3 ARG A 74 18.223 9.009 1.581 1.00 0.00 H new ATOM 0 HE ARG A 74 20.759 7.839 1.214 1.00 0.00 H new ATOM 0 HH11 ARG A 74 19.331 10.576 2.967 1.00 0.00 H new ATOM 0 HH12 ARG A 74 20.681 10.681 4.101 1.00 0.00 H new ATOM 0 HH21 ARG A 74 22.509 8.069 2.546 1.00 0.00 H new ATOM 0 HH22 ARG A 74 22.493 9.251 3.859 1.00 0.00 H new ATOM 1211 N GLY A 75 19.597 8.495 -3.820 1.00 0.00 N ATOM 1212 CA GLY A 75 20.812 8.152 -4.544 1.00 0.00 C ATOM 1213 C GLY A 75 22.062 7.883 -3.714 1.00 0.00 C ATOM 1214 O GLY A 75 23.140 7.799 -4.307 1.00 0.00 O ATOM 0 H GLY A 75 19.416 9.499 -3.796 1.00 0.00 H new ATOM 0 HA2 GLY A 75 20.609 7.266 -5.146 1.00 0.00 H new ATOM 0 HA3 GLY A 75 21.034 8.964 -5.236 1.00 0.00 H new ATOM 1218 N GLY A 76 21.971 7.803 -2.390 1.00 0.00 N ATOM 1219 CA GLY A 76 23.088 7.546 -1.492 1.00 0.00 C ATOM 1220 C GLY A 76 22.538 7.123 -0.150 1.00 0.00 C ATOM 1221 O GLY A 76 21.457 6.500 -0.135 1.00 0.00 O ATOM 0 H GLY A 76 21.086 7.920 -1.897 1.00 0.00 H new ATOM 0 HA2 GLY A 76 23.731 6.766 -1.901 1.00 0.00 H new ATOM 0 HA3 GLY A 76 23.701 8.441 -1.385 1.00 0.00 H new TER 1225 GLY A 76