USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 519 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.0859 (180deg=-0.427) USER MOD Single : A 2 ASN : amide:sc= 0.494 X(o=0.49,f=0) USER MOD Single : A 6 THR OG1 : rot -87:sc= 0.933 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -169:sc=-0.00426 (180deg=-0.0985) USER MOD Single : A 11 THR OG1 : rot 77:sc= 0.13 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -1.43 K(o=-1.4,f=-0.91) USER MOD Single : A 22 SER OG : rot 180:sc= 0.00405 USER MOD Single : A 23 GLN : amide:sc= -0.0372 X(o=-0.037,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -167:sc= 0.756 (180deg=0.439) USER MOD Single : A 30 GLN : amide:sc= -0.0581 X(o=-0.058,f=0) USER MOD Single : A 34 GLN : amide:sc= -1.76! K(o=-1.8!,f=-0.42) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.862 USER MOD Single : A 47 GLN : amide:sc= 0.0484 X(o=0.048,f=-0.0068) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 57 HIS : no HD1:sc= -0.468 X(o=-0.47,f=-0.33) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 HIS : no HD1:sc=-0.00492 X(o=-0.0049,f=-0.039) USER MOD Single : A 60 HIS : no HE2:sc= 0.701 K(o=0.7,f=-2.7!) USER MOD Single : A 61 HIS : no HD1:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.351 8.843 -5.791 1.00 0.00 N ATOM 2 CA MET A 1 -9.766 7.820 -6.688 1.00 0.00 C ATOM 3 C MET A 1 -8.443 7.302 -6.131 1.00 0.00 C ATOM 4 O MET A 1 -7.968 6.240 -6.529 1.00 0.00 O ATOM 5 CB MET A 1 -9.544 8.403 -8.088 1.00 0.00 C ATOM 6 CG MET A 1 -10.825 8.849 -8.776 1.00 0.00 C ATOM 7 SD MET A 1 -10.531 9.523 -10.422 1.00 0.00 S ATOM 8 CE MET A 1 -12.197 9.961 -10.910 1.00 0.00 C ATOM 0 H1 MET A 1 -11.333 9.033 -6.075 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.335 8.495 -4.811 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.796 9.720 -5.856 1.00 0.00 H new ATOM 0 HA MET A 1 -10.467 6.988 -6.753 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.867 9.254 -8.014 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.050 7.656 -8.709 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.506 8.002 -8.851 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.319 9.602 -8.162 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.181 10.393 -11.911 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.823 9.069 -10.910 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.603 10.689 -10.207 1.00 0.00 H new ATOM 20 N ASN A 2 -7.845 8.063 -5.224 1.00 0.00 N ATOM 21 CA ASN A 2 -6.608 7.661 -4.567 1.00 0.00 C ATOM 22 C ASN A 2 -6.519 8.300 -3.188 1.00 0.00 C ATOM 23 O ASN A 2 -7.355 9.132 -2.820 1.00 0.00 O ATOM 24 CB ASN A 2 -5.387 8.065 -5.410 1.00 0.00 C ATOM 25 CG ASN A 2 -5.240 9.572 -5.555 1.00 0.00 C ATOM 26 OD1 ASN A 2 -5.821 10.180 -6.454 1.00 0.00 O ATOM 27 ND2 ASN A 2 -4.457 10.187 -4.680 1.00 0.00 N ATOM 0 H ASN A 2 -8.201 8.971 -4.924 1.00 0.00 H new ATOM 0 HA ASN A 2 -6.612 6.576 -4.461 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -4.485 7.660 -4.951 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -5.471 7.616 -6.400 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -4.320 11.196 -4.739 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -3.991 9.651 -3.948 1.00 0.00 H new ATOM 34 N LEU A 3 -5.520 7.901 -2.420 1.00 0.00 N ATOM 35 CA LEU A 3 -5.267 8.503 -1.122 1.00 0.00 C ATOM 36 C LEU A 3 -3.916 9.200 -1.123 1.00 0.00 C ATOM 37 O LEU A 3 -3.233 9.231 -2.149 1.00 0.00 O ATOM 38 CB LEU A 3 -5.331 7.456 -0.009 1.00 0.00 C ATOM 39 CG LEU A 3 -6.721 6.871 0.250 1.00 0.00 C ATOM 40 CD1 LEU A 3 -6.680 5.906 1.422 1.00 0.00 C ATOM 41 CD2 LEU A 3 -7.730 7.979 0.512 1.00 0.00 C ATOM 0 H LEU A 3 -4.868 7.159 -2.674 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.044 9.243 -0.930 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.651 6.641 -0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.965 7.906 0.914 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.034 6.325 -0.640 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.677 5.499 1.593 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.989 5.093 1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.345 6.433 2.316 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.712 7.542 0.694 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.421 8.553 1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.781 8.637 -0.355 1.00 0.00 H new ATOM 53 N ARG A 4 -3.554 9.784 0.006 1.00 0.00 N ATOM 54 CA ARG A 4 -2.294 10.502 0.124 1.00 0.00 C ATOM 55 C ARG A 4 -1.179 9.550 0.538 1.00 0.00 C ATOM 56 O ARG A 4 -1.327 8.775 1.485 1.00 0.00 O ATOM 57 CB ARG A 4 -2.421 11.634 1.142 1.00 0.00 C ATOM 58 CG ARG A 4 -3.576 12.577 0.850 1.00 0.00 C ATOM 59 CD ARG A 4 -3.664 13.682 1.883 1.00 0.00 C ATOM 60 NE ARG A 4 -4.853 14.508 1.694 1.00 0.00 N ATOM 61 CZ ARG A 4 -4.957 15.764 2.114 1.00 0.00 C ATOM 62 NH1 ARG A 4 -3.903 16.379 2.642 1.00 0.00 N ATOM 63 NH2 ARG A 4 -6.106 16.414 1.980 1.00 0.00 N ATOM 0 H ARG A 4 -4.116 9.776 0.857 1.00 0.00 H new ATOM 0 HA ARG A 4 -2.048 10.930 -0.848 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -2.552 11.207 2.136 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -1.492 12.203 1.160 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -3.450 13.013 -0.141 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -4.510 12.016 0.835 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -3.680 13.245 2.882 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -2.773 14.308 1.823 1.00 0.00 H new ATOM 0 HE ARG A 4 -5.651 14.096 1.211 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -3.014 15.886 2.725 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -3.984 17.343 2.964 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -6.908 15.949 1.555 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -6.187 17.378 2.302 1.00 0.00 H new ATOM 77 N TRP A 5 -0.068 9.612 -0.168 1.00 0.00 N ATOM 78 CA TRP A 5 1.030 8.689 0.074 1.00 0.00 C ATOM 79 C TRP A 5 2.209 9.402 0.720 1.00 0.00 C ATOM 80 O TRP A 5 2.626 10.469 0.268 1.00 0.00 O ATOM 81 CB TRP A 5 1.465 8.017 -1.235 1.00 0.00 C ATOM 82 CG TRP A 5 0.452 7.047 -1.772 1.00 0.00 C ATOM 83 CD1 TRP A 5 -0.790 7.337 -2.262 1.00 0.00 C ATOM 84 CD2 TRP A 5 0.598 5.626 -1.866 1.00 0.00 C ATOM 85 NE1 TRP A 5 -1.428 6.181 -2.647 1.00 0.00 N ATOM 86 CE2 TRP A 5 -0.595 5.118 -2.415 1.00 0.00 C ATOM 87 CE3 TRP A 5 1.619 4.733 -1.536 1.00 0.00 C ATOM 88 CZ2 TRP A 5 -0.792 3.760 -2.641 1.00 0.00 C ATOM 89 CZ3 TRP A 5 1.422 3.384 -1.761 1.00 0.00 C ATOM 90 CH2 TRP A 5 0.226 2.909 -2.308 1.00 0.00 C ATOM 0 H TRP A 5 0.101 10.288 -0.912 1.00 0.00 H new ATOM 0 HA TRP A 5 0.679 7.920 0.762 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.654 8.786 -1.984 1.00 0.00 H new ATOM 0 HB3 TRP A 5 2.407 7.494 -1.071 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -1.210 8.329 -2.336 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.367 6.124 -3.041 1.00 0.00 H new ATOM 0 HE3 TRP A 5 2.546 5.090 -1.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -1.715 3.391 -3.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 2.205 2.684 -1.510 1.00 0.00 H new ATOM 0 HH2 TRP A 5 0.103 1.848 -2.471 1.00 0.00 H new ATOM 101 N THR A 6 2.726 8.818 1.791 1.00 0.00 N ATOM 102 CA THR A 6 3.917 9.334 2.439 1.00 0.00 C ATOM 103 C THR A 6 5.140 9.071 1.566 1.00 0.00 C ATOM 104 O THR A 6 5.105 8.198 0.693 1.00 0.00 O ATOM 105 CB THR A 6 4.123 8.690 3.825 1.00 0.00 C ATOM 106 OG1 THR A 6 4.027 7.265 3.718 1.00 0.00 O ATOM 107 CG2 THR A 6 3.092 9.189 4.822 1.00 0.00 C ATOM 0 H THR A 6 2.336 7.984 2.229 1.00 0.00 H new ATOM 0 HA THR A 6 3.787 10.408 2.575 1.00 0.00 H new ATOM 0 HB THR A 6 5.114 8.970 4.182 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.089 6.993 3.799 1.00 0.00 H new ATOM 0 HG21 THR A 6 3.263 8.717 5.789 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.179 10.271 4.925 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.092 8.938 4.468 1.00 0.00 H new ATOM 115 N SER A 7 6.205 9.825 1.793 1.00 0.00 N ATOM 116 CA SER A 7 7.439 9.650 1.043 1.00 0.00 C ATOM 117 C SER A 7 7.934 8.211 1.165 1.00 0.00 C ATOM 118 O SER A 7 8.377 7.600 0.187 1.00 0.00 O ATOM 119 CB SER A 7 8.497 10.626 1.560 1.00 0.00 C ATOM 120 OG SER A 7 7.972 11.943 1.641 1.00 0.00 O ATOM 0 H SER A 7 6.239 10.566 2.493 1.00 0.00 H new ATOM 0 HA SER A 7 7.250 9.858 -0.010 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.843 10.307 2.543 1.00 0.00 H new ATOM 0 HB3 SER A 7 9.363 10.615 0.898 1.00 0.00 H new ATOM 0 HG SER A 7 8.664 12.551 1.975 1.00 0.00 H new ATOM 126 N GLU A 8 7.825 7.673 2.374 1.00 0.00 N ATOM 127 CA GLU A 8 8.229 6.303 2.656 1.00 0.00 C ATOM 128 C GLU A 8 7.344 5.314 1.900 1.00 0.00 C ATOM 129 O GLU A 8 7.840 4.362 1.296 1.00 0.00 O ATOM 130 CB GLU A 8 8.148 6.005 4.158 1.00 0.00 C ATOM 131 CG GLU A 8 8.868 7.009 5.053 1.00 0.00 C ATOM 132 CD GLU A 8 8.101 8.307 5.215 1.00 0.00 C ATOM 133 OE1 GLU A 8 7.094 8.320 5.954 1.00 0.00 O ATOM 134 OE2 GLU A 8 8.490 9.315 4.590 1.00 0.00 O ATOM 0 H GLU A 8 7.455 8.173 3.183 1.00 0.00 H new ATOM 0 HA GLU A 8 9.262 6.190 2.326 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.098 5.968 4.450 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.565 5.014 4.340 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.030 6.563 6.034 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.851 7.223 4.634 1.00 0.00 H new ATOM 141 N ALA A 9 6.033 5.551 1.940 1.00 0.00 N ATOM 142 CA ALA A 9 5.069 4.679 1.275 1.00 0.00 C ATOM 143 C ALA A 9 5.330 4.616 -0.221 1.00 0.00 C ATOM 144 O ALA A 9 5.238 3.551 -0.829 1.00 0.00 O ATOM 145 CB ALA A 9 3.647 5.147 1.539 1.00 0.00 C ATOM 0 H ALA A 9 5.615 6.343 2.428 1.00 0.00 H new ATOM 0 HA ALA A 9 5.189 3.677 1.687 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.946 4.483 1.034 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.452 5.133 2.611 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.522 6.162 1.161 1.00 0.00 H new ATOM 151 N LYS A 10 5.650 5.764 -0.809 1.00 0.00 N ATOM 152 CA LYS A 10 6.001 5.835 -2.222 1.00 0.00 C ATOM 153 C LYS A 10 7.159 4.890 -2.542 1.00 0.00 C ATOM 154 O LYS A 10 7.091 4.110 -3.496 1.00 0.00 O ATOM 155 CB LYS A 10 6.361 7.274 -2.600 1.00 0.00 C ATOM 156 CG LYS A 10 5.184 8.234 -2.515 1.00 0.00 C ATOM 157 CD LYS A 10 5.619 9.680 -2.700 1.00 0.00 C ATOM 158 CE LYS A 10 4.429 10.629 -2.691 1.00 0.00 C ATOM 159 NZ LYS A 10 3.574 10.459 -3.897 1.00 0.00 N ATOM 0 H LYS A 10 5.673 6.662 -0.326 1.00 0.00 H new ATOM 0 HA LYS A 10 5.139 5.522 -2.810 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.156 7.626 -1.943 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.758 7.287 -3.615 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.449 7.976 -3.277 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.694 8.123 -1.548 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.312 9.957 -1.905 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.158 9.781 -3.642 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.832 10.455 -1.796 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.786 11.658 -2.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.888 11.239 -3.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.170 10.465 -4.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.065 9.554 -3.837 1.00 0.00 H new ATOM 173 N THR A 11 8.212 4.951 -1.729 1.00 0.00 N ATOM 174 CA THR A 11 9.366 4.073 -1.899 1.00 0.00 C ATOM 175 C THR A 11 8.959 2.603 -1.765 1.00 0.00 C ATOM 176 O THR A 11 9.355 1.762 -2.571 1.00 0.00 O ATOM 177 CB THR A 11 10.460 4.395 -0.861 1.00 0.00 C ATOM 178 OG1 THR A 11 10.735 5.804 -0.862 1.00 0.00 O ATOM 179 CG2 THR A 11 11.741 3.629 -1.161 1.00 0.00 C ATOM 0 H THR A 11 8.289 5.600 -0.946 1.00 0.00 H new ATOM 0 HA THR A 11 9.762 4.244 -2.900 1.00 0.00 H new ATOM 0 HB THR A 11 10.095 4.091 0.120 1.00 0.00 H new ATOM 0 HG1 THR A 11 10.024 6.276 -0.380 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.495 3.875 -0.414 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.539 2.558 -1.134 1.00 0.00 H new ATOM 0 HG23 THR A 11 12.107 3.905 -2.150 1.00 0.00 H new ATOM 187 N LYS A 12 8.145 2.313 -0.757 1.00 0.00 N ATOM 188 CA LYS A 12 7.704 0.949 -0.487 1.00 0.00 C ATOM 189 C LYS A 12 6.809 0.422 -1.603 1.00 0.00 C ATOM 190 O LYS A 12 6.826 -0.771 -1.907 1.00 0.00 O ATOM 191 CB LYS A 12 6.979 0.887 0.860 1.00 0.00 C ATOM 192 CG LYS A 12 7.895 1.163 2.042 1.00 0.00 C ATOM 193 CD LYS A 12 8.799 -0.021 2.335 1.00 0.00 C ATOM 194 CE LYS A 12 8.100 -1.058 3.204 1.00 0.00 C ATOM 195 NZ LYS A 12 8.658 -1.101 4.580 1.00 0.00 N ATOM 0 H LYS A 12 7.775 3.009 -0.109 1.00 0.00 H new ATOM 0 HA LYS A 12 8.586 0.310 -0.444 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.165 1.612 0.862 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.529 -0.099 0.979 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.503 2.043 1.834 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.295 1.391 2.923 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.111 -0.482 1.398 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.703 0.326 2.837 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.035 -0.832 3.252 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.196 -2.041 2.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.153 -1.820 5.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.669 -1.342 4.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.543 -0.171 5.030 1.00 0.00 H new ATOM 209 N LEU A 13 6.032 1.311 -2.217 1.00 0.00 N ATOM 210 CA LEU A 13 5.181 0.934 -3.338 1.00 0.00 C ATOM 211 C LEU A 13 6.033 0.493 -4.522 1.00 0.00 C ATOM 212 O LEU A 13 5.673 -0.427 -5.253 1.00 0.00 O ATOM 213 CB LEU A 13 4.272 2.104 -3.746 1.00 0.00 C ATOM 214 CG LEU A 13 3.301 1.817 -4.898 1.00 0.00 C ATOM 215 CD1 LEU A 13 2.339 0.698 -4.529 1.00 0.00 C ATOM 216 CD2 LEU A 13 2.535 3.074 -5.273 1.00 0.00 C ATOM 0 H LEU A 13 5.975 2.295 -1.956 1.00 0.00 H new ATOM 0 HA LEU A 13 4.552 0.100 -3.026 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.694 2.412 -2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.901 2.949 -4.026 1.00 0.00 H new ATOM 0 HG LEU A 13 3.883 1.495 -5.761 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.660 0.512 -5.361 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.903 -0.209 -4.311 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.764 0.988 -3.650 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.851 2.852 -6.092 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.968 3.425 -4.411 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.236 3.848 -5.586 1.00 0.00 H new ATOM 228 N LYS A 14 7.180 1.140 -4.687 1.00 0.00 N ATOM 229 CA LYS A 14 8.094 0.825 -5.782 1.00 0.00 C ATOM 230 C LYS A 14 8.761 -0.539 -5.581 1.00 0.00 C ATOM 231 O LYS A 14 9.313 -1.116 -6.521 1.00 0.00 O ATOM 232 CB LYS A 14 9.156 1.919 -5.904 1.00 0.00 C ATOM 233 CG LYS A 14 8.559 3.301 -6.106 1.00 0.00 C ATOM 234 CD LYS A 14 9.620 4.385 -6.103 1.00 0.00 C ATOM 235 CE LYS A 14 8.987 5.765 -6.185 1.00 0.00 C ATOM 236 NZ LYS A 14 9.996 6.854 -6.149 1.00 0.00 N ATOM 0 H LYS A 14 7.502 1.889 -4.075 1.00 0.00 H new ATOM 0 HA LYS A 14 7.514 0.779 -6.704 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.772 1.923 -5.005 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.815 1.687 -6.741 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.017 3.327 -7.051 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.834 3.501 -5.317 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.220 4.309 -5.196 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.296 4.240 -6.946 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.407 5.841 -7.105 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.290 5.892 -5.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.516 7.775 -6.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.534 6.800 -5.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.647 6.751 -6.954 1.00 0.00 H new ATOM 250 N ASN A 15 8.698 -1.055 -4.357 1.00 0.00 N ATOM 251 CA ASN A 15 9.287 -2.353 -4.041 1.00 0.00 C ATOM 252 C ASN A 15 8.337 -3.474 -4.440 1.00 0.00 C ATOM 253 O ASN A 15 8.728 -4.640 -4.533 1.00 0.00 O ATOM 254 CB ASN A 15 9.605 -2.462 -2.546 1.00 0.00 C ATOM 255 CG ASN A 15 10.565 -1.393 -2.062 1.00 0.00 C ATOM 256 OD1 ASN A 15 11.389 -0.885 -2.822 1.00 0.00 O ATOM 257 ND2 ASN A 15 10.478 -1.060 -0.784 1.00 0.00 N ATOM 0 H ASN A 15 8.245 -0.594 -3.568 1.00 0.00 H new ATOM 0 HA ASN A 15 10.216 -2.446 -4.604 1.00 0.00 H new ATOM 0 HB2 ASN A 15 8.678 -2.393 -1.978 1.00 0.00 H new ATOM 0 HB3 ASN A 15 10.032 -3.444 -2.342 1.00 0.00 H new ATOM 0 HD21 ASN A 15 11.108 -0.358 -0.396 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.781 -1.505 -0.187 1.00 0.00 H new ATOM 264 N ILE A 16 7.086 -3.113 -4.676 1.00 0.00 N ATOM 265 CA ILE A 16 6.074 -4.075 -5.076 1.00 0.00 C ATOM 266 C ILE A 16 6.183 -4.343 -6.575 1.00 0.00 C ATOM 267 O ILE A 16 6.351 -3.407 -7.359 1.00 0.00 O ATOM 268 CB ILE A 16 4.656 -3.553 -4.737 1.00 0.00 C ATOM 269 CG1 ILE A 16 4.569 -3.196 -3.250 1.00 0.00 C ATOM 270 CG2 ILE A 16 3.593 -4.582 -5.103 1.00 0.00 C ATOM 271 CD1 ILE A 16 3.233 -2.613 -2.842 1.00 0.00 C ATOM 0 H ILE A 16 6.746 -2.154 -4.597 1.00 0.00 H new ATOM 0 HA ILE A 16 6.240 -5.002 -4.527 1.00 0.00 H new ATOM 0 HB ILE A 16 4.470 -2.655 -5.327 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.761 -4.091 -2.659 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.356 -2.481 -3.010 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.607 -4.190 -4.855 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.642 -4.791 -6.172 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.769 -5.501 -4.545 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.246 -2.385 -1.776 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.047 -1.699 -3.406 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.443 -3.334 -3.049 1.00 0.00 H new ATOM 283 N PRO A 17 6.134 -5.622 -6.990 1.00 0.00 N ATOM 284 CA PRO A 17 6.152 -5.991 -8.410 1.00 0.00 C ATOM 285 C PRO A 17 5.064 -5.259 -9.193 1.00 0.00 C ATOM 286 O PRO A 17 3.903 -5.253 -8.784 1.00 0.00 O ATOM 287 CB PRO A 17 5.876 -7.497 -8.393 1.00 0.00 C ATOM 288 CG PRO A 17 6.318 -7.956 -7.045 1.00 0.00 C ATOM 289 CD PRO A 17 6.066 -6.806 -6.110 1.00 0.00 C ATOM 0 HA PRO A 17 7.092 -5.728 -8.895 1.00 0.00 H new ATOM 0 HB2 PRO A 17 4.818 -7.706 -8.554 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.426 -8.008 -9.184 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.763 -8.841 -6.733 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.373 -8.228 -7.053 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.094 -6.890 -5.625 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.814 -6.761 -5.319 1.00 0.00 H new ATOM 297 N PHE A 18 5.449 -4.646 -10.310 1.00 0.00 N ATOM 298 CA PHE A 18 4.533 -3.831 -11.116 1.00 0.00 C ATOM 299 C PHE A 18 3.252 -4.586 -11.465 1.00 0.00 C ATOM 300 O PHE A 18 2.163 -4.006 -11.453 1.00 0.00 O ATOM 301 CB PHE A 18 5.226 -3.357 -12.397 1.00 0.00 C ATOM 302 CG PHE A 18 4.326 -2.567 -13.305 1.00 0.00 C ATOM 303 CD1 PHE A 18 4.072 -1.227 -13.056 1.00 0.00 C ATOM 304 CD2 PHE A 18 3.725 -3.166 -14.399 1.00 0.00 C ATOM 305 CE1 PHE A 18 3.235 -0.502 -13.881 1.00 0.00 C ATOM 306 CE2 PHE A 18 2.888 -2.446 -15.229 1.00 0.00 C ATOM 307 CZ PHE A 18 2.642 -1.112 -14.969 1.00 0.00 C ATOM 0 H PHE A 18 6.397 -4.697 -10.683 1.00 0.00 H new ATOM 0 HA PHE A 18 4.255 -2.966 -10.514 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.088 -2.745 -12.130 1.00 0.00 H new ATOM 0 HB3 PHE A 18 5.605 -4.224 -12.938 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.534 -0.745 -12.207 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.913 -4.209 -14.606 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.044 0.541 -13.676 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.427 -2.925 -16.080 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.987 -0.547 -15.615 1.00 0.00 H new ATOM 317 N PHE A 19 3.384 -5.877 -11.748 1.00 0.00 N ATOM 318 CA PHE A 19 2.243 -6.707 -12.133 1.00 0.00 C ATOM 319 C PHE A 19 1.159 -6.691 -11.057 1.00 0.00 C ATOM 320 O PHE A 19 -0.023 -6.860 -11.346 1.00 0.00 O ATOM 321 CB PHE A 19 2.688 -8.153 -12.375 1.00 0.00 C ATOM 322 CG PHE A 19 3.768 -8.302 -13.413 1.00 0.00 C ATOM 323 CD1 PHE A 19 3.463 -8.256 -14.765 1.00 0.00 C ATOM 324 CD2 PHE A 19 5.089 -8.485 -13.035 1.00 0.00 C ATOM 325 CE1 PHE A 19 4.453 -8.396 -15.719 1.00 0.00 C ATOM 326 CE2 PHE A 19 6.084 -8.624 -13.986 1.00 0.00 C ATOM 327 CZ PHE A 19 5.766 -8.575 -15.327 1.00 0.00 C ATOM 0 H PHE A 19 4.273 -6.376 -11.718 1.00 0.00 H new ATOM 0 HA PHE A 19 1.833 -6.291 -13.053 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.043 -8.574 -11.434 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.823 -8.741 -12.681 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.439 -8.109 -15.076 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.344 -8.519 -11.986 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.201 -8.366 -16.769 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.109 -8.771 -13.679 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.543 -8.676 -16.070 1.00 0.00 H new ATOM 337 N ALA A 20 1.568 -6.477 -9.814 1.00 0.00 N ATOM 338 CA ALA A 20 0.643 -6.503 -8.697 1.00 0.00 C ATOM 339 C ALA A 20 0.593 -5.157 -7.986 1.00 0.00 C ATOM 340 O ALA A 20 -0.033 -5.040 -6.937 1.00 0.00 O ATOM 341 CB ALA A 20 1.029 -7.603 -7.721 1.00 0.00 C ATOM 0 H ALA A 20 2.536 -6.284 -9.557 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.353 -6.710 -9.090 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.327 -7.612 -6.887 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.001 -8.567 -8.229 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.036 -7.420 -7.346 1.00 0.00 H new ATOM 347 N ARG A 21 1.234 -4.139 -8.555 1.00 0.00 N ATOM 348 CA ARG A 21 1.269 -2.824 -7.922 1.00 0.00 C ATOM 349 C ARG A 21 -0.113 -2.195 -7.872 1.00 0.00 C ATOM 350 O ARG A 21 -0.524 -1.677 -6.837 1.00 0.00 O ATOM 351 CB ARG A 21 2.243 -1.879 -8.624 1.00 0.00 C ATOM 352 CG ARG A 21 3.664 -1.985 -8.105 1.00 0.00 C ATOM 353 CD ARG A 21 4.339 -0.624 -8.040 1.00 0.00 C ATOM 354 NE ARG A 21 4.580 -0.042 -9.359 1.00 0.00 N ATOM 355 CZ ARG A 21 4.080 1.127 -9.764 1.00 0.00 C ATOM 356 NH1 ARG A 21 3.240 1.802 -8.989 1.00 0.00 N ATOM 357 NH2 ARG A 21 4.423 1.616 -10.948 1.00 0.00 N ATOM 0 H ARG A 21 1.731 -4.198 -9.444 1.00 0.00 H new ATOM 0 HA ARG A 21 1.620 -2.980 -6.902 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.238 -2.092 -9.693 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.895 -0.853 -8.501 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.657 -2.436 -7.113 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.240 -2.647 -8.752 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.718 0.056 -7.457 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.288 -0.720 -7.513 1.00 0.00 H new ATOM 0 HE ARG A 21 5.167 -0.562 -10.011 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.973 1.428 -8.078 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.861 2.695 -9.304 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.067 1.099 -11.546 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.043 2.509 -11.260 1.00 0.00 H new ATOM 371 N SER A 22 -0.828 -2.244 -8.986 1.00 0.00 N ATOM 372 CA SER A 22 -2.178 -1.704 -9.048 1.00 0.00 C ATOM 373 C SER A 22 -3.092 -2.444 -8.072 1.00 0.00 C ATOM 374 O SER A 22 -3.913 -1.837 -7.380 1.00 0.00 O ATOM 375 CB SER A 22 -2.708 -1.836 -10.474 1.00 0.00 C ATOM 376 OG SER A 22 -1.738 -1.395 -11.408 1.00 0.00 O ATOM 0 H SER A 22 -0.496 -2.652 -9.860 1.00 0.00 H new ATOM 0 HA SER A 22 -2.158 -0.651 -8.766 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.970 -2.875 -10.676 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.620 -1.250 -10.585 1.00 0.00 H new ATOM 0 HG SER A 22 -2.093 -1.488 -12.317 1.00 0.00 H new ATOM 382 N GLN A 23 -2.921 -3.759 -8.015 1.00 0.00 N ATOM 383 CA GLN A 23 -3.698 -4.611 -7.125 1.00 0.00 C ATOM 384 C GLN A 23 -3.362 -4.314 -5.662 1.00 0.00 C ATOM 385 O GLN A 23 -4.257 -4.123 -4.829 1.00 0.00 O ATOM 386 CB GLN A 23 -3.418 -6.081 -7.459 1.00 0.00 C ATOM 387 CG GLN A 23 -4.188 -7.072 -6.603 1.00 0.00 C ATOM 388 CD GLN A 23 -3.968 -8.507 -7.035 1.00 0.00 C ATOM 389 OE1 GLN A 23 -4.708 -9.044 -7.860 1.00 0.00 O ATOM 390 NE2 GLN A 23 -2.943 -9.136 -6.488 1.00 0.00 N ATOM 0 H GLN A 23 -2.241 -4.264 -8.584 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.759 -4.407 -7.269 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.662 -6.257 -8.507 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.351 -6.271 -7.344 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -3.886 -6.959 -5.562 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.252 -6.840 -6.653 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -2.354 -8.656 -5.808 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -2.741 -10.102 -6.746 1.00 0.00 H new ATOM 399 N ALA A 24 -2.071 -4.259 -5.357 1.00 0.00 N ATOM 400 CA ALA A 24 -1.614 -3.981 -4.005 1.00 0.00 C ATOM 401 C ALA A 24 -2.056 -2.599 -3.559 1.00 0.00 C ATOM 402 O ALA A 24 -2.609 -2.447 -2.474 1.00 0.00 O ATOM 403 CB ALA A 24 -0.103 -4.113 -3.904 1.00 0.00 C ATOM 0 H ALA A 24 -1.321 -4.404 -6.033 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.067 -4.718 -3.341 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.213 -3.900 -2.883 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.192 -5.128 -4.171 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.370 -3.406 -4.585 1.00 0.00 H new ATOM 409 N LYS A 25 -1.834 -1.604 -4.416 1.00 0.00 N ATOM 410 CA LYS A 25 -2.220 -0.227 -4.128 1.00 0.00 C ATOM 411 C LYS A 25 -3.706 -0.136 -3.801 1.00 0.00 C ATOM 412 O LYS A 25 -4.108 0.598 -2.897 1.00 0.00 O ATOM 413 CB LYS A 25 -1.887 0.670 -5.322 1.00 0.00 C ATOM 414 CG LYS A 25 -2.406 2.086 -5.184 1.00 0.00 C ATOM 415 CD LYS A 25 -2.022 2.938 -6.381 1.00 0.00 C ATOM 416 CE LYS A 25 -2.686 4.303 -6.334 1.00 0.00 C ATOM 417 NZ LYS A 25 -4.171 4.193 -6.346 1.00 0.00 N ATOM 0 H LYS A 25 -1.385 -1.730 -5.323 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.658 0.113 -3.258 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.805 0.700 -5.452 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.304 0.226 -6.226 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.491 2.069 -5.081 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.007 2.534 -4.274 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.939 3.061 -6.408 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.308 2.425 -7.299 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.367 4.832 -5.436 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.358 4.897 -7.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.587 5.127 -6.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.464 3.527 -7.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.501 3.847 -5.422 1.00 0.00 H new ATOM 431 N ALA A 26 -4.511 -0.900 -4.534 1.00 0.00 N ATOM 432 CA ALA A 26 -5.943 -0.955 -4.295 1.00 0.00 C ATOM 433 C ALA A 26 -6.228 -1.360 -2.852 1.00 0.00 C ATOM 434 O ALA A 26 -7.043 -0.735 -2.172 1.00 0.00 O ATOM 435 CB ALA A 26 -6.611 -1.924 -5.263 1.00 0.00 C ATOM 0 H ALA A 26 -4.190 -1.491 -5.301 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.358 0.039 -4.463 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.683 -1.952 -5.068 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.436 -1.594 -6.287 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.192 -2.921 -5.127 1.00 0.00 H new ATOM 441 N ARG A 27 -5.537 -2.390 -2.378 1.00 0.00 N ATOM 442 CA ARG A 27 -5.726 -2.845 -1.006 1.00 0.00 C ATOM 443 C ARG A 27 -5.096 -1.874 -0.013 1.00 0.00 C ATOM 444 O ARG A 27 -5.675 -1.602 1.029 1.00 0.00 O ATOM 445 CB ARG A 27 -5.158 -4.250 -0.796 1.00 0.00 C ATOM 446 CG ARG A 27 -5.398 -4.785 0.608 1.00 0.00 C ATOM 447 CD ARG A 27 -5.179 -6.285 0.678 1.00 0.00 C ATOM 448 NE ARG A 27 -6.090 -6.998 -0.211 1.00 0.00 N ATOM 449 CZ ARG A 27 -6.644 -8.172 0.068 1.00 0.00 C ATOM 450 NH1 ARG A 27 -6.405 -8.768 1.230 1.00 0.00 N ATOM 451 NH2 ARG A 27 -7.444 -8.750 -0.819 1.00 0.00 N ATOM 0 H ARG A 27 -4.850 -2.920 -2.915 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.801 -2.881 -0.826 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.608 -4.930 -1.520 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.086 -4.236 -0.995 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.728 -4.286 1.308 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.416 -4.550 0.919 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.149 -6.517 0.408 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.325 -6.628 1.702 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.316 -6.566 -1.107 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.793 -8.324 1.914 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.834 -9.670 1.438 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -7.631 -8.292 -1.711 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.872 -9.652 -0.609 1.00 0.00 H new ATOM 465 N ILE A 28 -3.923 -1.343 -0.344 1.00 0.00 N ATOM 466 CA ILE A 28 -3.226 -0.404 0.539 1.00 0.00 C ATOM 467 C ILE A 28 -4.126 0.770 0.912 1.00 0.00 C ATOM 468 O ILE A 28 -4.263 1.117 2.088 1.00 0.00 O ATOM 469 CB ILE A 28 -1.937 0.150 -0.112 1.00 0.00 C ATOM 470 CG1 ILE A 28 -0.972 -0.991 -0.441 1.00 0.00 C ATOM 471 CG2 ILE A 28 -1.266 1.161 0.811 1.00 0.00 C ATOM 472 CD1 ILE A 28 0.213 -0.567 -1.284 1.00 0.00 C ATOM 0 H ILE A 28 -3.433 -1.544 -1.215 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.959 -0.964 1.435 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.208 0.654 -1.040 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.607 -1.425 0.490 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.517 -1.775 -0.966 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.361 1.541 0.338 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.950 1.988 1.003 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.007 0.678 1.753 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.851 -1.430 -1.475 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.141 -0.161 -2.231 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.783 0.195 -0.753 1.00 0.00 H new ATOM 484 N GLU A 29 -4.757 1.361 -0.091 1.00 0.00 N ATOM 485 CA GLU A 29 -5.619 2.507 0.135 1.00 0.00 C ATOM 486 C GLU A 29 -6.916 2.085 0.835 1.00 0.00 C ATOM 487 O GLU A 29 -7.489 2.855 1.607 1.00 0.00 O ATOM 488 CB GLU A 29 -5.892 3.232 -1.186 1.00 0.00 C ATOM 489 CG GLU A 29 -4.612 3.730 -1.850 1.00 0.00 C ATOM 490 CD GLU A 29 -4.849 4.488 -3.143 1.00 0.00 C ATOM 491 OE1 GLU A 29 -5.546 3.959 -4.033 1.00 0.00 O ATOM 492 OE2 GLU A 29 -4.314 5.608 -3.288 1.00 0.00 O ATOM 0 H GLU A 29 -4.688 1.066 -1.065 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.110 3.206 0.799 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.413 2.558 -1.866 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.556 4.077 -1.003 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.080 4.377 -1.153 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.963 2.878 -2.053 1.00 0.00 H new ATOM 499 N GLN A 30 -7.361 0.853 0.597 1.00 0.00 N ATOM 500 CA GLN A 30 -8.513 0.314 1.316 1.00 0.00 C ATOM 501 C GLN A 30 -8.174 0.079 2.791 1.00 0.00 C ATOM 502 O GLN A 30 -9.004 0.306 3.674 1.00 0.00 O ATOM 503 CB GLN A 30 -9.002 -0.987 0.678 1.00 0.00 C ATOM 504 CG GLN A 30 -9.735 -0.781 -0.639 1.00 0.00 C ATOM 505 CD GLN A 30 -10.208 -2.081 -1.259 1.00 0.00 C ATOM 506 OE1 GLN A 30 -11.314 -2.549 -0.987 1.00 0.00 O ATOM 507 NE2 GLN A 30 -9.376 -2.669 -2.104 1.00 0.00 N ATOM 0 H GLN A 30 -6.946 0.214 -0.082 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.314 1.051 1.254 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.148 -1.643 0.510 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -9.664 -1.498 1.377 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -10.593 -0.130 -0.474 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -9.076 -0.268 -1.340 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.468 -2.248 -2.302 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -9.643 -3.543 -2.557 1.00 0.00 H new ATOM 516 N LEU A 31 -6.949 -0.371 3.051 1.00 0.00 N ATOM 517 CA LEU A 31 -6.470 -0.581 4.415 1.00 0.00 C ATOM 518 C LEU A 31 -6.454 0.741 5.174 1.00 0.00 C ATOM 519 O LEU A 31 -6.782 0.795 6.359 1.00 0.00 O ATOM 520 CB LEU A 31 -5.066 -1.191 4.410 1.00 0.00 C ATOM 521 CG LEU A 31 -4.946 -2.570 3.757 1.00 0.00 C ATOM 522 CD1 LEU A 31 -3.488 -2.967 3.620 1.00 0.00 C ATOM 523 CD2 LEU A 31 -5.708 -3.616 4.556 1.00 0.00 C ATOM 0 H LEU A 31 -6.265 -0.599 2.329 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.149 -1.274 4.912 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.393 -0.505 3.895 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.718 -1.265 5.440 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.387 -2.514 2.762 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.421 -3.950 3.154 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.968 -2.236 3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.026 -3.001 4.607 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.608 -4.588 4.072 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.301 -3.670 5.566 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.762 -3.341 4.603 1.00 0.00 H new ATOM 535 N ALA A 32 -6.084 1.811 4.478 1.00 0.00 N ATOM 536 CA ALA A 32 -6.072 3.137 5.073 1.00 0.00 C ATOM 537 C ALA A 32 -7.490 3.599 5.390 1.00 0.00 C ATOM 538 O ALA A 32 -7.716 4.313 6.364 1.00 0.00 O ATOM 539 CB ALA A 32 -5.377 4.124 4.156 1.00 0.00 C ATOM 0 H ALA A 32 -5.789 1.783 3.502 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.515 3.089 6.009 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.377 5.112 4.617 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.349 3.802 3.987 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.904 4.169 3.203 1.00 0.00 H new ATOM 545 N ARG A 33 -8.445 3.179 4.564 1.00 0.00 N ATOM 546 CA ARG A 33 -9.855 3.460 4.816 1.00 0.00 C ATOM 547 C ARG A 33 -10.315 2.721 6.065 1.00 0.00 C ATOM 548 O ARG A 33 -11.155 3.211 6.820 1.00 0.00 O ATOM 549 CB ARG A 33 -10.721 3.040 3.627 1.00 0.00 C ATOM 550 CG ARG A 33 -10.463 3.814 2.343 1.00 0.00 C ATOM 551 CD ARG A 33 -10.864 5.277 2.465 1.00 0.00 C ATOM 552 NE ARG A 33 -9.896 6.062 3.231 1.00 0.00 N ATOM 553 CZ ARG A 33 -10.003 7.374 3.441 1.00 0.00 C ATOM 554 NH1 ARG A 33 -11.071 8.040 3.020 1.00 0.00 N ATOM 555 NH2 ARG A 33 -9.043 8.019 4.083 1.00 0.00 N ATOM 0 H ARG A 33 -8.268 2.643 3.715 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.965 4.535 4.962 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.558 1.980 3.434 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.770 3.157 3.900 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.405 3.749 2.087 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -11.018 3.354 1.525 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.967 5.706 1.468 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.841 5.344 2.944 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.091 5.577 3.628 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.819 7.548 2.531 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.144 9.044 3.185 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -8.223 7.512 4.416 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.123 9.023 4.245 1.00 0.00 H new ATOM 569 N GLN A 34 -9.746 1.541 6.277 1.00 0.00 N ATOM 570 CA GLN A 34 -10.055 0.731 7.445 1.00 0.00 C ATOM 571 C GLN A 34 -9.572 1.445 8.710 1.00 0.00 C ATOM 572 O GLN A 34 -10.214 1.382 9.757 1.00 0.00 O ATOM 573 CB GLN A 34 -9.398 -0.654 7.296 1.00 0.00 C ATOM 574 CG GLN A 34 -9.887 -1.698 8.290 1.00 0.00 C ATOM 575 CD GLN A 34 -9.221 -1.609 9.650 1.00 0.00 C ATOM 576 OE1 GLN A 34 -9.842 -1.896 10.672 1.00 0.00 O ATOM 577 NE2 GLN A 34 -7.949 -1.238 9.674 1.00 0.00 N ATOM 0 H GLN A 34 -9.062 1.122 5.647 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.133 0.591 7.528 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -9.579 -1.021 6.286 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -8.319 -0.544 7.406 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -10.964 -1.590 8.416 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -9.713 -2.691 7.875 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -7.468 -1.008 8.804 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -7.451 -1.183 10.562 1.00 0.00 H new ATOM 586 N ALA A 35 -8.449 2.142 8.583 1.00 0.00 N ATOM 587 CA ALA A 35 -7.888 2.913 9.685 1.00 0.00 C ATOM 588 C ALA A 35 -8.473 4.325 9.718 1.00 0.00 C ATOM 589 O ALA A 35 -8.231 5.084 10.656 1.00 0.00 O ATOM 590 CB ALA A 35 -6.372 2.963 9.564 1.00 0.00 C ATOM 0 H ALA A 35 -7.906 2.189 7.721 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.151 2.421 10.622 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.960 3.541 10.391 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.971 1.950 9.594 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.098 3.434 8.620 1.00 0.00 H new ATOM 596 N GLU A 36 -9.234 4.659 8.674 1.00 0.00 N ATOM 597 CA GLU A 36 -9.898 5.957 8.541 1.00 0.00 C ATOM 598 C GLU A 36 -8.898 7.105 8.408 1.00 0.00 C ATOM 599 O GLU A 36 -9.191 8.244 8.771 1.00 0.00 O ATOM 600 CB GLU A 36 -10.853 6.211 9.707 1.00 0.00 C ATOM 601 CG GLU A 36 -12.073 5.308 9.691 1.00 0.00 C ATOM 602 CD GLU A 36 -13.152 5.771 10.644 1.00 0.00 C ATOM 603 OE1 GLU A 36 -13.718 6.860 10.422 1.00 0.00 O ATOM 604 OE2 GLU A 36 -13.462 5.036 11.602 1.00 0.00 O ATOM 0 H GLU A 36 -9.408 4.030 7.890 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.479 5.920 7.619 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.316 6.068 10.645 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.179 7.251 9.681 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.479 5.269 8.680 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.773 4.293 9.953 1.00 0.00 H new ATOM 611 N GLN A 37 -7.735 6.808 7.846 1.00 0.00 N ATOM 612 CA GLN A 37 -6.734 7.831 7.586 1.00 0.00 C ATOM 613 C GLN A 37 -6.609 8.060 6.083 1.00 0.00 C ATOM 614 O GLN A 37 -6.731 7.120 5.294 1.00 0.00 O ATOM 615 CB GLN A 37 -5.384 7.434 8.196 1.00 0.00 C ATOM 616 CG GLN A 37 -4.858 6.085 7.729 1.00 0.00 C ATOM 617 CD GLN A 37 -3.580 5.682 8.440 1.00 0.00 C ATOM 618 OE1 GLN A 37 -3.356 6.048 9.594 1.00 0.00 O ATOM 619 NE2 GLN A 37 -2.730 4.926 7.763 1.00 0.00 N ATOM 0 H GLN A 37 -7.462 5.867 7.562 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.049 8.763 8.055 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.649 8.201 7.953 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.480 7.417 9.282 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.619 5.324 7.898 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.676 6.122 6.655 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.949 4.642 6.808 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.856 4.628 8.196 1.00 0.00 H new ATOM 628 N ASP A 38 -6.393 9.308 5.681 1.00 0.00 N ATOM 629 CA ASP A 38 -6.303 9.647 4.259 1.00 0.00 C ATOM 630 C ASP A 38 -4.872 9.495 3.777 1.00 0.00 C ATOM 631 O ASP A 38 -4.593 9.550 2.581 1.00 0.00 O ATOM 632 CB ASP A 38 -6.787 11.078 3.991 1.00 0.00 C ATOM 633 CG ASP A 38 -8.255 11.285 4.317 1.00 0.00 C ATOM 634 OD1 ASP A 38 -9.111 10.653 3.659 1.00 0.00 O ATOM 635 OD2 ASP A 38 -8.562 12.073 5.234 1.00 0.00 O ATOM 0 H ASP A 38 -6.277 10.100 6.313 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.949 8.960 3.712 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.189 11.773 4.581 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.617 11.322 2.942 1.00 0.00 H new ATOM 640 N ILE A 39 -3.973 9.297 4.724 1.00 0.00 N ATOM 641 CA ILE A 39 -2.558 9.182 4.430 1.00 0.00 C ATOM 642 C ILE A 39 -2.079 7.763 4.709 1.00 0.00 C ATOM 643 O ILE A 39 -2.291 7.237 5.800 1.00 0.00 O ATOM 644 CB ILE A 39 -1.746 10.179 5.280 1.00 0.00 C ATOM 645 CG1 ILE A 39 -2.264 11.600 5.050 1.00 0.00 C ATOM 646 CG2 ILE A 39 -0.263 10.086 4.946 1.00 0.00 C ATOM 647 CD1 ILE A 39 -1.723 12.612 6.033 1.00 0.00 C ATOM 0 H ILE A 39 -4.203 9.212 5.714 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.406 9.413 3.376 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.870 9.926 6.333 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.002 11.913 4.039 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.352 11.594 5.110 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.293 10.798 5.557 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.093 9.076 5.150 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.112 10.317 3.892 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.135 13.595 5.806 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.007 12.324 7.045 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.636 12.648 5.957 1.00 0.00 H new ATOM 659 N VAL A 40 -1.445 7.143 3.724 1.00 0.00 N ATOM 660 CA VAL A 40 -0.979 5.772 3.869 1.00 0.00 C ATOM 661 C VAL A 40 0.467 5.741 4.343 1.00 0.00 C ATOM 662 O VAL A 40 1.282 6.584 3.961 1.00 0.00 O ATOM 663 CB VAL A 40 -1.101 4.969 2.551 1.00 0.00 C ATOM 664 CG1 VAL A 40 -2.530 4.991 2.040 1.00 0.00 C ATOM 665 CG2 VAL A 40 -0.144 5.497 1.495 1.00 0.00 C ATOM 0 H VAL A 40 -1.242 7.566 2.818 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.621 5.302 4.614 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.827 3.935 2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.594 4.421 1.113 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.190 4.547 2.785 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.834 6.021 1.854 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.253 4.913 0.581 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.372 6.542 1.287 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.880 5.415 1.858 1.00 0.00 H new ATOM 675 N THR A 41 0.774 4.781 5.193 1.00 0.00 N ATOM 676 CA THR A 41 2.125 4.604 5.682 1.00 0.00 C ATOM 677 C THR A 41 2.775 3.409 4.995 1.00 0.00 C ATOM 678 O THR A 41 2.075 2.546 4.455 1.00 0.00 O ATOM 679 CB THR A 41 2.128 4.408 7.211 1.00 0.00 C ATOM 680 OG1 THR A 41 1.199 3.381 7.578 1.00 0.00 O ATOM 681 CG2 THR A 41 1.760 5.707 7.916 1.00 0.00 C ATOM 0 H THR A 41 0.101 4.108 5.560 1.00 0.00 H new ATOM 0 HA THR A 41 2.699 5.501 5.451 1.00 0.00 H new ATOM 0 HB THR A 41 3.131 4.112 7.518 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.209 3.263 8.551 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.767 5.550 8.995 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.484 6.479 7.657 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.765 6.022 7.602 1.00 0.00 H new ATOM 689 N PRO A 42 4.118 3.341 5.002 1.00 0.00 N ATOM 690 CA PRO A 42 4.864 2.253 4.355 1.00 0.00 C ATOM 691 C PRO A 42 4.495 0.885 4.921 1.00 0.00 C ATOM 692 O PRO A 42 4.659 -0.141 4.259 1.00 0.00 O ATOM 693 CB PRO A 42 6.330 2.588 4.664 1.00 0.00 C ATOM 694 CG PRO A 42 6.278 3.516 5.824 1.00 0.00 C ATOM 695 CD PRO A 42 5.023 4.315 5.639 1.00 0.00 C ATOM 0 HA PRO A 42 4.648 2.188 3.289 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.898 1.689 4.903 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.817 3.054 3.808 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.259 2.967 6.766 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.155 4.163 5.849 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.628 4.676 6.588 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.187 5.189 5.009 1.00 0.00 H new ATOM 703 N GLU A 43 3.981 0.889 6.145 1.00 0.00 N ATOM 704 CA GLU A 43 3.545 -0.327 6.813 1.00 0.00 C ATOM 705 C GLU A 43 2.379 -0.951 6.059 1.00 0.00 C ATOM 706 O GLU A 43 2.414 -2.125 5.705 1.00 0.00 O ATOM 707 CB GLU A 43 3.121 -0.002 8.243 1.00 0.00 C ATOM 708 CG GLU A 43 4.188 0.738 9.026 1.00 0.00 C ATOM 709 CD GLU A 43 3.692 1.216 10.371 1.00 0.00 C ATOM 710 OE1 GLU A 43 3.171 2.353 10.444 1.00 0.00 O ATOM 711 OE2 GLU A 43 3.828 0.463 11.357 1.00 0.00 O ATOM 0 H GLU A 43 3.856 1.735 6.700 1.00 0.00 H new ATOM 0 HA GLU A 43 4.372 -1.037 6.833 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.213 0.601 8.218 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.875 -0.928 8.762 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.047 0.083 9.171 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.533 1.593 8.445 1.00 0.00 H new ATOM 718 N LEU A 44 1.361 -0.137 5.795 1.00 0.00 N ATOM 719 CA LEU A 44 0.165 -0.588 5.084 1.00 0.00 C ATOM 720 C LEU A 44 0.514 -1.023 3.668 1.00 0.00 C ATOM 721 O LEU A 44 -0.067 -1.967 3.130 1.00 0.00 O ATOM 722 CB LEU A 44 -0.891 0.524 5.041 1.00 0.00 C ATOM 723 CG LEU A 44 -1.797 0.630 6.275 1.00 0.00 C ATOM 724 CD1 LEU A 44 -0.991 0.905 7.534 1.00 0.00 C ATOM 725 CD2 LEU A 44 -2.843 1.716 6.067 1.00 0.00 C ATOM 0 H LEU A 44 1.340 0.846 6.065 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.245 -1.442 5.624 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.382 1.478 4.904 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.519 0.369 4.164 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.300 -0.328 6.406 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.664 0.974 8.389 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.281 0.094 7.696 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.450 1.844 7.422 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.480 1.782 6.949 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.347 2.673 5.906 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.453 1.472 5.197 1.00 0.00 H new ATOM 737 N VAL A 45 1.478 -0.327 3.078 1.00 0.00 N ATOM 738 CA VAL A 45 1.953 -0.648 1.741 1.00 0.00 C ATOM 739 C VAL A 45 2.496 -2.073 1.678 1.00 0.00 C ATOM 740 O VAL A 45 2.088 -2.873 0.833 1.00 0.00 O ATOM 741 CB VAL A 45 3.052 0.340 1.291 1.00 0.00 C ATOM 742 CG1 VAL A 45 3.614 -0.045 -0.069 1.00 0.00 C ATOM 743 CG2 VAL A 45 2.508 1.758 1.263 1.00 0.00 C ATOM 0 H VAL A 45 1.948 0.469 3.510 1.00 0.00 H new ATOM 0 HA VAL A 45 1.101 -0.564 1.066 1.00 0.00 H new ATOM 0 HB VAL A 45 3.867 0.293 2.014 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.385 0.669 -0.359 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.046 -1.044 -0.015 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.814 -0.036 -0.809 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.294 2.443 0.944 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.673 1.814 0.565 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.167 2.036 2.260 1.00 0.00 H new ATOM 753 N GLU A 46 3.404 -2.389 2.589 1.00 0.00 N ATOM 754 CA GLU A 46 4.021 -3.703 2.613 1.00 0.00 C ATOM 755 C GLU A 46 3.044 -4.741 3.156 1.00 0.00 C ATOM 756 O GLU A 46 3.046 -5.891 2.722 1.00 0.00 O ATOM 757 CB GLU A 46 5.299 -3.666 3.448 1.00 0.00 C ATOM 758 CG GLU A 46 6.160 -4.907 3.299 1.00 0.00 C ATOM 759 CD GLU A 46 7.498 -4.759 3.982 1.00 0.00 C ATOM 760 OE1 GLU A 46 8.435 -4.228 3.353 1.00 0.00 O ATOM 761 OE2 GLU A 46 7.618 -5.164 5.157 1.00 0.00 O ATOM 0 H GLU A 46 3.728 -1.754 3.319 1.00 0.00 H new ATOM 0 HA GLU A 46 4.284 -3.989 1.594 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.884 -2.792 3.162 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.033 -3.543 4.498 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.633 -5.765 3.718 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.316 -5.114 2.240 1.00 0.00 H new ATOM 768 N GLN A 47 2.193 -4.319 4.088 1.00 0.00 N ATOM 769 CA GLN A 47 1.163 -5.187 4.653 1.00 0.00 C ATOM 770 C GLN A 47 0.314 -5.805 3.545 1.00 0.00 C ATOM 771 O GLN A 47 0.129 -7.024 3.500 1.00 0.00 O ATOM 772 CB GLN A 47 0.278 -4.385 5.616 1.00 0.00 C ATOM 773 CG GLN A 47 -0.902 -5.157 6.195 1.00 0.00 C ATOM 774 CD GLN A 47 -0.479 -6.350 7.027 1.00 0.00 C ATOM 775 OE1 GLN A 47 -0.243 -6.232 8.231 1.00 0.00 O ATOM 776 NE2 GLN A 47 -0.406 -7.509 6.394 1.00 0.00 N ATOM 0 H GLN A 47 2.197 -3.373 4.470 1.00 0.00 H new ATOM 0 HA GLN A 47 1.648 -5.994 5.202 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.895 -4.023 6.438 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.102 -3.508 5.092 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.501 -4.486 6.811 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.541 -5.498 5.380 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.610 -7.559 5.396 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.145 -8.353 6.904 1.00 0.00 H new ATOM 785 N ALA A 48 -0.180 -4.964 2.643 1.00 0.00 N ATOM 786 CA ALA A 48 -0.973 -5.438 1.518 1.00 0.00 C ATOM 787 C ALA A 48 -0.122 -6.282 0.580 1.00 0.00 C ATOM 788 O ALA A 48 -0.608 -7.230 -0.039 1.00 0.00 O ATOM 789 CB ALA A 48 -1.582 -4.267 0.768 1.00 0.00 C ATOM 0 H ALA A 48 -0.045 -3.953 2.670 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.780 -6.061 1.905 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.172 -4.639 -0.070 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.225 -3.699 1.440 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.787 -3.621 0.394 1.00 0.00 H new ATOM 795 N ARG A 49 1.159 -5.950 0.504 1.00 0.00 N ATOM 796 CA ARG A 49 2.078 -6.644 -0.382 1.00 0.00 C ATOM 797 C ARG A 49 2.305 -8.065 0.124 1.00 0.00 C ATOM 798 O ARG A 49 2.400 -9.010 -0.660 1.00 0.00 O ATOM 799 CB ARG A 49 3.400 -5.865 -0.472 1.00 0.00 C ATOM 800 CG ARG A 49 4.369 -6.366 -1.536 1.00 0.00 C ATOM 801 CD ARG A 49 5.151 -7.587 -1.078 1.00 0.00 C ATOM 802 NE ARG A 49 6.158 -7.993 -2.056 1.00 0.00 N ATOM 803 CZ ARG A 49 6.111 -9.133 -2.746 1.00 0.00 C ATOM 804 NH1 ARG A 49 5.079 -9.961 -2.599 1.00 0.00 N ATOM 805 NH2 ARG A 49 7.086 -9.429 -3.594 1.00 0.00 N ATOM 0 H ARG A 49 1.585 -5.200 1.049 1.00 0.00 H new ATOM 0 HA ARG A 49 1.651 -6.704 -1.383 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.175 -4.817 -0.671 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.896 -5.906 0.498 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.815 -6.612 -2.442 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.065 -5.568 -1.795 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.637 -7.370 -0.127 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.462 -8.413 -0.903 1.00 0.00 H new ATOM 0 HE ARG A 49 6.945 -7.366 -2.221 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.322 -9.724 -1.958 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.045 -10.833 -3.128 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.868 -8.786 -3.717 1.00 0.00 H new ATOM 0 HH22 ARG A 49 7.054 -10.300 -4.124 1.00 0.00 H new ATOM 819 N LEU A 50 2.383 -8.207 1.441 1.00 0.00 N ATOM 820 CA LEU A 50 2.545 -9.513 2.062 1.00 0.00 C ATOM 821 C LEU A 50 1.275 -10.330 1.890 1.00 0.00 C ATOM 822 O LEU A 50 1.326 -11.531 1.612 1.00 0.00 O ATOM 823 CB LEU A 50 2.872 -9.362 3.548 1.00 0.00 C ATOM 824 CG LEU A 50 4.027 -10.233 4.048 1.00 0.00 C ATOM 825 CD1 LEU A 50 3.738 -11.709 3.825 1.00 0.00 C ATOM 826 CD2 LEU A 50 5.316 -9.829 3.352 1.00 0.00 C ATOM 0 H LEU A 50 2.336 -7.430 2.101 1.00 0.00 H new ATOM 0 HA LEU A 50 3.372 -10.030 1.575 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.112 -8.318 3.748 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.980 -9.601 4.127 1.00 0.00 H new ATOM 0 HG LEU A 50 4.138 -10.077 5.121 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.576 -12.303 4.190 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.833 -11.988 4.365 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.598 -11.895 2.760 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.135 -10.452 3.712 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.205 -9.961 2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.534 -8.783 3.568 1.00 0.00 H new ATOM 838 N GLU A 51 0.137 -9.662 2.039 1.00 0.00 N ATOM 839 CA GLU A 51 -1.154 -10.307 1.861 1.00 0.00 C ATOM 840 C GLU A 51 -1.250 -10.928 0.480 1.00 0.00 C ATOM 841 O GLU A 51 -1.605 -12.090 0.348 1.00 0.00 O ATOM 842 CB GLU A 51 -2.293 -9.312 2.066 1.00 0.00 C ATOM 843 CG GLU A 51 -2.457 -8.860 3.506 1.00 0.00 C ATOM 844 CD GLU A 51 -3.646 -7.947 3.692 1.00 0.00 C ATOM 845 OE1 GLU A 51 -4.766 -8.345 3.303 1.00 0.00 O ATOM 846 OE2 GLU A 51 -3.472 -6.834 4.221 1.00 0.00 O ATOM 0 H GLU A 51 0.084 -8.673 2.283 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.244 -11.094 2.610 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.118 -8.438 1.438 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.225 -9.766 1.728 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.570 -9.734 4.147 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.552 -8.344 3.827 1.00 0.00 H new ATOM 853 N PHE A 52 -0.901 -10.165 -0.549 1.00 0.00 N ATOM 854 CA PHE A 52 -0.955 -10.675 -1.914 1.00 0.00 C ATOM 855 C PHE A 52 0.169 -11.669 -2.174 1.00 0.00 C ATOM 856 O PHE A 52 0.102 -12.455 -3.115 1.00 0.00 O ATOM 857 CB PHE A 52 -0.908 -9.534 -2.927 1.00 0.00 C ATOM 858 CG PHE A 52 -2.171 -8.729 -2.956 1.00 0.00 C ATOM 859 CD1 PHE A 52 -3.377 -9.330 -3.277 1.00 0.00 C ATOM 860 CD2 PHE A 52 -2.159 -7.378 -2.662 1.00 0.00 C ATOM 861 CE1 PHE A 52 -4.547 -8.599 -3.305 1.00 0.00 C ATOM 862 CE2 PHE A 52 -3.326 -6.640 -2.688 1.00 0.00 C ATOM 863 CZ PHE A 52 -4.521 -7.251 -3.009 1.00 0.00 C ATOM 0 H PHE A 52 -0.581 -9.200 -0.466 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.904 -11.198 -2.034 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.070 -8.878 -2.690 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.721 -9.943 -3.920 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.402 -10.385 -3.508 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.227 -6.895 -2.409 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.480 -9.080 -3.558 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.303 -5.585 -2.457 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.435 -6.675 -3.029 1.00 0.00 H new ATOM 873 N GLY A 53 1.193 -11.631 -1.333 1.00 0.00 N ATOM 874 CA GLY A 53 2.241 -12.630 -1.390 1.00 0.00 C ATOM 875 C GLY A 53 1.710 -14.001 -1.022 1.00 0.00 C ATOM 876 O GLY A 53 2.210 -15.028 -1.486 1.00 0.00 O ATOM 0 H GLY A 53 1.317 -10.923 -0.609 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.666 -12.659 -2.393 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.047 -12.355 -0.710 1.00 0.00 H new ATOM 880 N GLN A 54 0.693 -14.007 -0.170 1.00 0.00 N ATOM 881 CA GLN A 54 0.014 -15.235 0.221 1.00 0.00 C ATOM 882 C GLN A 54 -1.209 -15.484 -0.663 1.00 0.00 C ATOM 883 O GLN A 54 -1.441 -16.605 -1.125 1.00 0.00 O ATOM 884 CB GLN A 54 -0.424 -15.154 1.685 1.00 0.00 C ATOM 885 CG GLN A 54 0.722 -14.965 2.668 1.00 0.00 C ATOM 886 CD GLN A 54 0.242 -14.826 4.098 1.00 0.00 C ATOM 887 OE1 GLN A 54 -0.845 -14.307 4.358 1.00 0.00 O ATOM 888 NE2 GLN A 54 1.043 -15.295 5.039 1.00 0.00 N ATOM 0 H GLN A 54 0.317 -13.166 0.267 1.00 0.00 H new ATOM 0 HA GLN A 54 0.713 -16.062 0.097 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -1.125 -14.327 1.798 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.963 -16.066 1.943 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.401 -15.815 2.597 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.291 -14.078 2.391 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.936 -15.718 4.785 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.769 -15.234 6.019 1.00 0.00 H new ATOM 897 N LEU A 55 -1.967 -14.422 -0.911 1.00 0.00 N ATOM 898 CA LEU A 55 -3.228 -14.503 -1.646 1.00 0.00 C ATOM 899 C LEU A 55 -3.016 -14.614 -3.150 1.00 0.00 C ATOM 900 O LEU A 55 -3.977 -14.550 -3.919 1.00 0.00 O ATOM 901 CB LEU A 55 -4.084 -13.270 -1.356 1.00 0.00 C ATOM 902 CG LEU A 55 -4.549 -13.118 0.088 1.00 0.00 C ATOM 903 CD1 LEU A 55 -5.111 -11.726 0.304 1.00 0.00 C ATOM 904 CD2 LEU A 55 -5.596 -14.171 0.424 1.00 0.00 C ATOM 0 H LEU A 55 -1.726 -13.478 -0.608 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.734 -15.407 -1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.516 -12.382 -1.632 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.962 -13.299 -2.001 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.695 -13.261 0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.442 -11.623 1.338 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.339 -10.985 0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.957 -11.567 -0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.917 -14.048 1.458 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.454 -14.055 -0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.168 -15.165 0.293 1.00 0.00 H new ATOM 916 N GLU A 56 -1.769 -14.744 -3.576 1.00 0.00 N ATOM 917 CA GLU A 56 -1.482 -14.970 -4.981 1.00 0.00 C ATOM 918 C GLU A 56 -1.952 -16.364 -5.379 1.00 0.00 C ATOM 919 O GLU A 56 -1.205 -17.338 -5.299 1.00 0.00 O ATOM 920 CB GLU A 56 0.010 -14.791 -5.287 1.00 0.00 C ATOM 921 CG GLU A 56 0.334 -14.889 -6.770 1.00 0.00 C ATOM 922 CD GLU A 56 1.777 -14.562 -7.094 1.00 0.00 C ATOM 923 OE1 GLU A 56 2.619 -15.484 -7.087 1.00 0.00 O ATOM 924 OE2 GLU A 56 2.071 -13.385 -7.385 1.00 0.00 O ATOM 0 H GLU A 56 -0.947 -14.697 -2.974 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.022 -14.227 -5.568 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.337 -13.820 -4.914 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.578 -15.548 -4.747 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.111 -15.898 -7.117 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.317 -14.211 -7.322 1.00 0.00 H new ATOM 931 N HIS A 57 -3.223 -16.458 -5.745 1.00 0.00 N ATOM 932 CA HIS A 57 -3.801 -17.723 -6.176 1.00 0.00 C ATOM 933 C HIS A 57 -3.277 -18.108 -7.551 1.00 0.00 C ATOM 934 O HIS A 57 -3.530 -17.424 -8.546 1.00 0.00 O ATOM 935 CB HIS A 57 -5.340 -17.664 -6.168 1.00 0.00 C ATOM 936 CG HIS A 57 -5.936 -16.577 -7.015 1.00 0.00 C ATOM 937 ND1 HIS A 57 -6.409 -16.789 -8.292 1.00 0.00 N ATOM 938 CD2 HIS A 57 -6.128 -15.260 -6.762 1.00 0.00 C ATOM 939 CE1 HIS A 57 -6.860 -15.653 -8.787 1.00 0.00 C ATOM 940 NE2 HIS A 57 -6.701 -14.710 -7.880 1.00 0.00 N ATOM 0 H HIS A 57 -3.874 -15.673 -5.752 1.00 0.00 H new ATOM 0 HA HIS A 57 -3.498 -18.493 -5.466 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.728 -18.624 -6.509 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -5.679 -17.531 -5.141 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -5.877 -14.740 -5.849 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -7.287 -15.518 -9.770 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -6.962 -13.730 -7.992 1.00 0.00 H new ATOM 949 N HIS A 58 -2.526 -19.201 -7.577 1.00 0.00 N ATOM 950 CA HIS A 58 -1.916 -19.721 -8.793 1.00 0.00 C ATOM 951 C HIS A 58 -0.942 -18.718 -9.404 1.00 0.00 C ATOM 952 O HIS A 58 0.178 -18.580 -8.918 1.00 0.00 O ATOM 953 CB HIS A 58 -2.976 -20.149 -9.813 1.00 0.00 C ATOM 954 CG HIS A 58 -3.766 -21.344 -9.376 1.00 0.00 C ATOM 955 ND1 HIS A 58 -3.298 -22.635 -9.484 1.00 0.00 N ATOM 956 CD2 HIS A 58 -4.993 -21.438 -8.816 1.00 0.00 C ATOM 957 CE1 HIS A 58 -4.205 -23.471 -9.010 1.00 0.00 C ATOM 958 NE2 HIS A 58 -5.243 -22.767 -8.598 1.00 0.00 N ATOM 0 H HIS A 58 -2.321 -19.757 -6.747 1.00 0.00 H new ATOM 0 HA HIS A 58 -1.346 -20.607 -8.514 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -3.657 -19.317 -9.991 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -2.489 -20.371 -10.762 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -5.654 -20.616 -8.583 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -4.113 -24.546 -8.967 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -6.093 -23.150 -8.185 1.00 0.00 H new ATOM 967 N HIS A 59 -1.388 -17.997 -10.441 1.00 0.00 N ATOM 968 CA HIS A 59 -0.527 -17.077 -11.200 1.00 0.00 C ATOM 969 C HIS A 59 0.578 -17.834 -11.940 1.00 0.00 C ATOM 970 O HIS A 59 0.590 -17.888 -13.170 1.00 0.00 O ATOM 971 CB HIS A 59 0.092 -16.000 -10.294 1.00 0.00 C ATOM 972 CG HIS A 59 -0.774 -14.797 -10.077 1.00 0.00 C ATOM 973 ND1 HIS A 59 -0.274 -13.516 -10.050 1.00 0.00 N ATOM 974 CD2 HIS A 59 -2.106 -14.680 -9.859 1.00 0.00 C ATOM 975 CE1 HIS A 59 -1.253 -12.663 -9.829 1.00 0.00 C ATOM 976 NE2 HIS A 59 -2.380 -13.340 -9.709 1.00 0.00 N ATOM 0 H HIS A 59 -2.350 -18.034 -10.777 1.00 0.00 H new ATOM 0 HA HIS A 59 -1.163 -16.582 -11.933 1.00 0.00 H new ATOM 0 HB2 HIS A 59 0.322 -16.446 -9.326 1.00 0.00 H new ATOM 0 HB3 HIS A 59 1.038 -15.677 -10.729 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -2.820 -15.489 -9.812 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -1.151 -11.590 -9.758 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -3.301 -12.937 -9.534 1.00 0.00 H new ATOM 985 N HIS A 60 1.490 -18.419 -11.183 1.00 0.00 N ATOM 986 CA HIS A 60 2.624 -19.135 -11.743 1.00 0.00 C ATOM 987 C HIS A 60 2.195 -20.519 -12.209 1.00 0.00 C ATOM 988 O HIS A 60 1.589 -21.277 -11.450 1.00 0.00 O ATOM 989 CB HIS A 60 3.726 -19.263 -10.686 1.00 0.00 C ATOM 990 CG HIS A 60 5.076 -19.605 -11.240 1.00 0.00 C ATOM 991 ND1 HIS A 60 5.611 -20.877 -11.228 1.00 0.00 N ATOM 992 CD2 HIS A 60 6.019 -18.812 -11.797 1.00 0.00 C ATOM 993 CE1 HIS A 60 6.820 -20.845 -11.754 1.00 0.00 C ATOM 994 NE2 HIS A 60 7.095 -19.604 -12.108 1.00 0.00 N ATOM 0 H HIS A 60 1.466 -18.411 -10.163 1.00 0.00 H new ATOM 0 HA HIS A 60 3.006 -18.578 -12.599 1.00 0.00 H new ATOM 0 HB2 HIS A 60 3.799 -18.323 -10.138 1.00 0.00 H new ATOM 0 HB3 HIS A 60 3.436 -20.030 -9.967 1.00 0.00 H new ATOM 0 HD1 HIS A 60 5.145 -21.710 -10.869 1.00 0.00 H new ATOM 0 HD2 HIS A 60 5.939 -17.748 -11.966 1.00 0.00 H new ATOM 0 HE1 HIS A 60 7.476 -21.694 -11.875 1.00 0.00 H new ATOM 1003 N HIS A 61 2.493 -20.841 -13.456 1.00 0.00 N ATOM 1004 CA HIS A 61 2.210 -22.167 -13.980 1.00 0.00 C ATOM 1005 C HIS A 61 3.386 -23.079 -13.679 1.00 0.00 C ATOM 1006 O HIS A 61 4.444 -22.951 -14.294 1.00 0.00 O ATOM 1007 CB HIS A 61 1.949 -22.119 -15.491 1.00 0.00 C ATOM 1008 CG HIS A 61 1.517 -23.435 -16.077 1.00 0.00 C ATOM 1009 ND1 HIS A 61 0.225 -23.689 -16.480 1.00 0.00 N ATOM 1010 CD2 HIS A 61 2.214 -24.570 -16.330 1.00 0.00 C ATOM 1011 CE1 HIS A 61 0.144 -24.922 -16.950 1.00 0.00 C ATOM 1012 NE2 HIS A 61 1.339 -25.478 -16.872 1.00 0.00 N ATOM 0 H HIS A 61 2.930 -20.205 -14.123 1.00 0.00 H new ATOM 0 HA HIS A 61 1.311 -22.553 -13.500 1.00 0.00 H new ATOM 0 HB2 HIS A 61 1.181 -21.373 -15.694 1.00 0.00 H new ATOM 0 HB3 HIS A 61 2.856 -21.788 -15.996 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.265 -24.730 -16.140 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.749 -25.394 -17.333 1.00 0.00 H new ATOM 0 HE2 HIS A 61 1.573 -26.426 -17.166 1.00 0.00 H new ATOM 1021 N HIS A 62 3.187 -23.987 -12.729 1.00 0.00 N ATOM 1022 CA HIS A 62 4.239 -24.894 -12.277 1.00 0.00 C ATOM 1023 C HIS A 62 5.392 -24.091 -11.675 1.00 0.00 C ATOM 1024 O HIS A 62 6.433 -23.932 -12.341 1.00 0.00 O ATOM 1025 CB HIS A 62 4.709 -25.788 -13.437 1.00 0.00 C ATOM 1026 CG HIS A 62 5.860 -26.692 -13.108 1.00 0.00 C ATOM 1027 ND1 HIS A 62 6.945 -26.845 -13.938 1.00 0.00 N ATOM 1028 CD2 HIS A 62 6.094 -27.484 -12.037 1.00 0.00 C ATOM 1029 CE1 HIS A 62 7.797 -27.691 -13.396 1.00 0.00 C ATOM 1030 NE2 HIS A 62 7.308 -28.095 -12.237 1.00 0.00 N ATOM 1031 OXT HIS A 62 5.228 -23.591 -10.541 1.00 0.00 O ATOM 0 H HIS A 62 2.295 -24.116 -12.251 1.00 0.00 H new ATOM 0 HA HIS A 62 3.845 -25.549 -11.500 1.00 0.00 H new ATOM 0 HB2 HIS A 62 3.870 -26.398 -13.770 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.993 -25.152 -14.275 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.446 -27.612 -11.182 1.00 0.00 H new ATOM 0 HE1 HIS A 62 8.737 -28.002 -13.827 1.00 0.00 H new ATOM 0 HE2 HIS A 62 7.757 -28.751 -11.598 1.00 0.00 H new TER 1040 HIS A 62