USER MOD reduce.3.24.130724 H: found=0, std=0, add=911, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 910 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 91 THR OG1 : rot -69:sc= 1.43 USER MOD Set 1.2: A 94 SER OG : rot 50:sc= 0.555 USER MOD Set 2.1: A 76 SER OG : rot 160:sc= -0.0457 USER MOD Set 2.2: A 78 TYR OH : rot 180:sc= -1.77! USER MOD Set 3.1: A 67 TYR OH : rot -40:sc= -5.02! USER MOD Set 3.2: A 88 THR OG1 : rot -13:sc= -0.347! USER MOD Set 4.1: A 41 GLN : amide:sc= -1.79 K(o=-1.8,f=-2.8!) USER MOD Set 4.2: A 44 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 4 THR OG1 : rot 180:sc= -0.938 USER MOD Set 5.2: A 8 THR OG1 : rot -116:sc= 0.802 USER MOD Single : A 1 SER N :NH3+ -123:sc= 0.137 (180deg=0) USER MOD Single : A 1 SER OG : rot 140:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.0354 X(o=-0.035,f=0) USER MOD Single : A 5 TYR OH : rot 0:sc= -0.774 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0533 USER MOD Single : A 18 GLN : amide:sc= -2.69! C(o=-2.7!,f=-3!) USER MOD Single : A 27 ASN : amide:sc= -0.342 X(o=-0.34,f=-0.73) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0298 USER MOD Single : A 32 SER OG : rot 41:sc= -0.455 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0245 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.0847 K(o=-0.085,f=-0.72!) USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -0.262 X(o=-0.26,f=-0.013) USER MOD Single : A 69 THR OG1 : rot -130:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= -0.966 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 161:sc= -2.31 USER MOD Single : A 101 ASN : amide:sc= -2 K(o=-2,f=-8.3!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -2.76 K(o=-2.8,f=-10!) USER MOD Single : A 108 THR OG1 : rot -170:sc= -0.0228 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 157:sc= -0.303 (180deg=-1.43!) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 12.126 9.888 0.380 1.00 0.00 N ATOM 2 CA SER A 1 12.052 8.418 0.152 1.00 0.00 C ATOM 3 C SER A 1 10.736 8.072 -0.549 1.00 0.00 C ATOM 4 O SER A 1 9.956 8.944 -0.874 1.00 0.00 O ATOM 5 CB SER A 1 12.119 7.689 1.495 1.00 0.00 C ATOM 6 OG SER A 1 11.015 8.082 2.299 1.00 0.00 O ATOM 0 H1 SER A 1 12.985 10.266 -0.067 1.00 0.00 H new ATOM 0 H2 SER A 1 11.290 10.346 -0.035 1.00 0.00 H new ATOM 0 H3 SER A 1 12.155 10.080 1.402 1.00 0.00 H new ATOM 0 HA SER A 1 12.889 8.108 -0.474 1.00 0.00 H new ATOM 0 HB2 SER A 1 12.103 6.611 1.337 1.00 0.00 H new ATOM 0 HB3 SER A 1 13.055 7.923 2.003 1.00 0.00 H new ATOM 0 HG SER A 1 10.663 7.301 2.775 1.00 0.00 H new ATOM 14 N TRP A 2 10.499 6.801 -0.775 1.00 0.00 N ATOM 15 CA TRP A 2 9.244 6.343 -1.451 1.00 0.00 C ATOM 16 C TRP A 2 9.353 6.538 -2.972 1.00 0.00 C ATOM 17 O TRP A 2 9.035 5.649 -3.737 1.00 0.00 O ATOM 18 CB TRP A 2 8.025 7.098 -0.896 1.00 0.00 C ATOM 19 CG TRP A 2 7.223 6.171 -0.035 1.00 0.00 C ATOM 20 CD1 TRP A 2 5.892 6.261 0.181 1.00 0.00 C ATOM 21 CD2 TRP A 2 7.684 5.021 0.729 1.00 0.00 C ATOM 22 NE1 TRP A 2 5.506 5.233 1.025 1.00 0.00 N ATOM 23 CE2 TRP A 2 6.579 4.441 1.392 1.00 0.00 C ATOM 24 CE3 TRP A 2 8.944 4.432 0.904 1.00 0.00 C ATOM 25 CZ2 TRP A 2 6.721 3.308 2.205 1.00 0.00 C ATOM 26 CZ3 TRP A 2 9.095 3.298 1.718 1.00 0.00 C ATOM 27 CH2 TRP A 2 7.986 2.738 2.366 1.00 0.00 C ATOM 0 H TRP A 2 11.136 6.048 -0.514 1.00 0.00 H new ATOM 0 HA TRP A 2 9.110 5.281 -1.248 1.00 0.00 H new ATOM 0 HB2 TRP A 2 8.350 7.962 -0.317 1.00 0.00 H new ATOM 0 HB3 TRP A 2 7.412 7.475 -1.715 1.00 0.00 H new ATOM 0 HD1 TRP A 2 5.237 7.011 -0.236 1.00 0.00 H new ATOM 0 HE1 TRP A 2 4.547 5.079 1.338 1.00 0.00 H new ATOM 0 HE3 TRP A 2 9.806 4.854 0.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 5.862 2.881 2.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 10.072 2.855 1.845 1.00 0.00 H new ATOM 0 HH2 TRP A 2 8.109 1.865 2.990 1.00 0.00 H new ATOM 38 N GLN A 3 9.808 7.673 -3.426 1.00 0.00 N ATOM 39 CA GLN A 3 9.933 7.878 -4.897 1.00 0.00 C ATOM 40 C GLN A 3 11.024 6.952 -5.437 1.00 0.00 C ATOM 41 O GLN A 3 10.778 6.118 -6.285 1.00 0.00 O ATOM 42 CB GLN A 3 10.302 9.333 -5.188 1.00 0.00 C ATOM 43 CG GLN A 3 9.333 10.260 -4.455 1.00 0.00 C ATOM 44 CD GLN A 3 8.806 11.318 -5.426 1.00 0.00 C ATOM 45 OE1 GLN A 3 9.259 12.445 -5.418 1.00 0.00 O ATOM 46 NE2 GLN A 3 7.864 10.999 -6.269 1.00 0.00 N ATOM 0 H GLN A 3 10.097 8.462 -2.848 1.00 0.00 H new ATOM 0 HA GLN A 3 8.983 7.650 -5.381 1.00 0.00 H new ATOM 0 HB2 GLN A 3 11.325 9.531 -4.867 1.00 0.00 H new ATOM 0 HB3 GLN A 3 10.262 9.522 -6.261 1.00 0.00 H new ATOM 0 HG2 GLN A 3 8.504 9.685 -4.043 1.00 0.00 H new ATOM 0 HG3 GLN A 3 9.837 10.740 -3.616 1.00 0.00 H new ATOM 0 HE21 GLN A 3 7.484 10.052 -6.275 1.00 0.00 H new ATOM 0 HE22 GLN A 3 7.507 11.696 -6.922 1.00 0.00 H new ATOM 55 N THR A 4 12.225 7.084 -4.944 1.00 0.00 N ATOM 56 CA THR A 4 13.321 6.198 -5.424 1.00 0.00 C ATOM 57 C THR A 4 13.089 4.791 -4.877 1.00 0.00 C ATOM 58 O THR A 4 13.428 3.805 -5.500 1.00 0.00 O ATOM 59 CB THR A 4 14.669 6.728 -4.924 1.00 0.00 C ATOM 60 OG1 THR A 4 15.653 5.712 -5.060 1.00 0.00 O ATOM 61 CG2 THR A 4 14.547 7.131 -3.453 1.00 0.00 C ATOM 0 H THR A 4 12.493 7.764 -4.233 1.00 0.00 H new ATOM 0 HA THR A 4 13.330 6.177 -6.514 1.00 0.00 H new ATOM 0 HB THR A 4 14.960 7.598 -5.512 1.00 0.00 H new ATOM 0 HG1 THR A 4 16.517 6.049 -4.742 1.00 0.00 H new ATOM 0 HG21 THR A 4 15.506 7.508 -3.098 1.00 0.00 H new ATOM 0 HG22 THR A 4 13.791 7.909 -3.351 1.00 0.00 H new ATOM 0 HG23 THR A 4 14.257 6.263 -2.861 1.00 0.00 H new ATOM 69 N TYR A 5 12.499 4.694 -3.717 1.00 0.00 N ATOM 70 CA TYR A 5 12.225 3.359 -3.113 1.00 0.00 C ATOM 71 C TYR A 5 11.396 2.527 -4.100 1.00 0.00 C ATOM 72 O TYR A 5 11.303 1.321 -3.986 1.00 0.00 O ATOM 73 CB TYR A 5 11.498 3.583 -1.762 1.00 0.00 C ATOM 74 CG TYR A 5 10.197 2.804 -1.638 1.00 0.00 C ATOM 75 CD1 TYR A 5 9.171 2.952 -2.583 1.00 0.00 C ATOM 76 CD2 TYR A 5 10.011 1.951 -0.543 1.00 0.00 C ATOM 77 CE1 TYR A 5 7.973 2.243 -2.435 1.00 0.00 C ATOM 78 CE2 TYR A 5 8.813 1.246 -0.394 1.00 0.00 C ATOM 79 CZ TYR A 5 7.794 1.391 -1.340 1.00 0.00 C ATOM 80 OH TYR A 5 6.611 0.695 -1.193 1.00 0.00 O ATOM 0 H TYR A 5 12.192 5.490 -3.157 1.00 0.00 H new ATOM 0 HA TYR A 5 13.143 2.805 -2.916 1.00 0.00 H new ATOM 0 HB2 TYR A 5 12.164 3.296 -0.948 1.00 0.00 H new ATOM 0 HB3 TYR A 5 11.289 4.646 -1.643 1.00 0.00 H new ATOM 0 HD1 TYR A 5 9.305 3.614 -3.426 1.00 0.00 H new ATOM 0 HD2 TYR A 5 10.796 1.837 0.190 1.00 0.00 H new ATOM 0 HE1 TYR A 5 7.186 2.354 -3.167 1.00 0.00 H new ATOM 0 HE2 TYR A 5 8.675 0.589 0.452 1.00 0.00 H new ATOM 0 HH TYR A 5 6.010 0.911 -1.936 1.00 0.00 H new ATOM 90 N VAL A 6 10.792 3.166 -5.070 1.00 0.00 N ATOM 91 CA VAL A 6 9.969 2.417 -6.065 1.00 0.00 C ATOM 92 C VAL A 6 10.819 2.080 -7.302 1.00 0.00 C ATOM 93 O VAL A 6 10.823 0.964 -7.777 1.00 0.00 O ATOM 94 CB VAL A 6 8.753 3.286 -6.461 1.00 0.00 C ATOM 95 CG1 VAL A 6 8.529 3.280 -7.981 1.00 0.00 C ATOM 96 CG2 VAL A 6 7.501 2.737 -5.779 1.00 0.00 C ATOM 0 H VAL A 6 10.834 4.175 -5.215 1.00 0.00 H new ATOM 0 HA VAL A 6 9.618 1.482 -5.629 1.00 0.00 H new ATOM 0 HB VAL A 6 8.951 4.310 -6.144 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.667 3.901 -8.224 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.413 3.676 -8.481 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.348 2.259 -8.318 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.640 3.346 -6.055 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.335 1.708 -6.098 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.634 2.765 -4.697 1.00 0.00 H new ATOM 106 N ASP A 7 11.514 3.039 -7.846 1.00 0.00 N ATOM 107 CA ASP A 7 12.324 2.761 -9.066 1.00 0.00 C ATOM 108 C ASP A 7 13.736 2.311 -8.686 1.00 0.00 C ATOM 109 O ASP A 7 14.708 2.770 -9.251 1.00 0.00 O ATOM 110 CB ASP A 7 12.411 4.030 -9.915 1.00 0.00 C ATOM 111 CG ASP A 7 11.619 3.837 -11.211 1.00 0.00 C ATOM 112 OD1 ASP A 7 12.059 3.055 -12.039 1.00 0.00 O ATOM 113 OD2 ASP A 7 10.589 4.475 -11.353 1.00 0.00 O ATOM 0 H ASP A 7 11.557 3.998 -7.502 1.00 0.00 H new ATOM 0 HA ASP A 7 11.842 1.963 -9.631 1.00 0.00 H new ATOM 0 HB2 ASP A 7 12.015 4.880 -9.358 1.00 0.00 H new ATOM 0 HB3 ASP A 7 13.453 4.256 -10.144 1.00 0.00 H new ATOM 118 N THR A 8 13.869 1.413 -7.747 1.00 0.00 N ATOM 119 CA THR A 8 15.229 0.955 -7.371 1.00 0.00 C ATOM 120 C THR A 8 15.182 -0.510 -6.913 1.00 0.00 C ATOM 121 O THR A 8 15.081 -1.414 -7.718 1.00 0.00 O ATOM 122 CB THR A 8 15.780 1.847 -6.253 1.00 0.00 C ATOM 123 OG1 THR A 8 14.812 1.967 -5.221 1.00 0.00 O ATOM 124 CG2 THR A 8 16.101 3.234 -6.814 1.00 0.00 C ATOM 0 H THR A 8 13.101 0.983 -7.231 1.00 0.00 H new ATOM 0 HA THR A 8 15.887 1.026 -8.237 1.00 0.00 H new ATOM 0 HB THR A 8 16.689 1.400 -5.849 1.00 0.00 H new ATOM 0 HG1 THR A 8 14.523 2.901 -5.150 1.00 0.00 H new ATOM 0 HG21 THR A 8 16.493 3.867 -6.018 1.00 0.00 H new ATOM 0 HG22 THR A 8 16.846 3.143 -7.605 1.00 0.00 H new ATOM 0 HG23 THR A 8 15.194 3.681 -7.220 1.00 0.00 H new ATOM 132 N ASN A 9 15.279 -0.755 -5.635 1.00 0.00 N ATOM 133 CA ASN A 9 15.264 -2.161 -5.140 1.00 0.00 C ATOM 134 C ASN A 9 13.900 -2.523 -4.545 1.00 0.00 C ATOM 135 O ASN A 9 13.179 -3.343 -5.077 1.00 0.00 O ATOM 136 CB ASN A 9 16.335 -2.315 -4.060 1.00 0.00 C ATOM 137 CG ASN A 9 16.983 -3.695 -4.173 1.00 0.00 C ATOM 138 OD1 ASN A 9 16.301 -4.696 -4.270 1.00 0.00 O ATOM 139 ND2 ASN A 9 18.285 -3.792 -4.166 1.00 0.00 N ATOM 0 H ASN A 9 15.368 -0.042 -4.911 1.00 0.00 H new ATOM 0 HA ASN A 9 15.462 -2.828 -5.979 1.00 0.00 H new ATOM 0 HB2 ASN A 9 17.091 -1.537 -4.170 1.00 0.00 H new ATOM 0 HB3 ASN A 9 15.891 -2.191 -3.073 1.00 0.00 H new ATOM 0 HD21 ASN A 9 18.729 -4.707 -4.242 1.00 0.00 H new ATOM 0 HD22 ASN A 9 18.859 -2.952 -4.085 1.00 0.00 H new ATOM 146 N LEU A 10 13.578 -1.936 -3.422 1.00 0.00 N ATOM 147 CA LEU A 10 12.289 -2.235 -2.720 1.00 0.00 C ATOM 148 C LEU A 10 11.194 -2.682 -3.690 1.00 0.00 C ATOM 149 O LEU A 10 10.477 -3.624 -3.426 1.00 0.00 O ATOM 150 CB LEU A 10 11.815 -0.987 -1.981 1.00 0.00 C ATOM 151 CG LEU A 10 11.847 -1.253 -0.478 1.00 0.00 C ATOM 152 CD1 LEU A 10 12.245 0.025 0.258 1.00 0.00 C ATOM 153 CD2 LEU A 10 10.459 -1.702 -0.011 1.00 0.00 C ATOM 0 H LEU A 10 14.165 -1.248 -2.951 1.00 0.00 H new ATOM 0 HA LEU A 10 12.476 -3.052 -2.023 1.00 0.00 H new ATOM 0 HB2 LEU A 10 12.455 -0.139 -2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 10 10.805 -0.725 -2.295 1.00 0.00 H new ATOM 0 HG LEU A 10 12.574 -2.036 -0.262 1.00 0.00 H new ATOM 0 HD11 LEU A 10 12.268 -0.165 1.331 1.00 0.00 H new ATOM 0 HD12 LEU A 10 13.233 0.344 -0.075 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.519 0.809 0.044 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.480 -1.892 1.062 1.00 0.00 H new ATOM 0 HD22 LEU A 10 9.732 -0.919 -0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 10 10.176 -2.614 -0.536 1.00 0.00 H new ATOM 165 N VAL A 11 11.026 -2.014 -4.793 1.00 0.00 N ATOM 166 CA VAL A 11 9.943 -2.433 -5.722 1.00 0.00 C ATOM 167 C VAL A 11 10.505 -3.235 -6.888 1.00 0.00 C ATOM 168 O VAL A 11 9.811 -4.056 -7.455 1.00 0.00 O ATOM 169 CB VAL A 11 9.201 -1.208 -6.241 1.00 0.00 C ATOM 170 CG1 VAL A 11 8.129 -1.642 -7.241 1.00 0.00 C ATOM 171 CG2 VAL A 11 8.543 -0.486 -5.065 1.00 0.00 C ATOM 0 H VAL A 11 11.580 -1.210 -5.089 1.00 0.00 H new ATOM 0 HA VAL A 11 9.248 -3.069 -5.174 1.00 0.00 H new ATOM 0 HB VAL A 11 9.903 -0.538 -6.737 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.600 -0.764 -7.611 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.599 -2.161 -8.076 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.423 -2.311 -6.750 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.010 0.392 -5.429 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.841 -1.158 -4.572 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.309 -0.176 -4.354 1.00 0.00 H new ATOM 181 N GLY A 12 11.754 -3.048 -7.240 1.00 0.00 N ATOM 182 CA GLY A 12 12.323 -3.872 -8.354 1.00 0.00 C ATOM 183 C GLY A 12 11.891 -5.314 -8.093 1.00 0.00 C ATOM 184 O GLY A 12 11.707 -6.113 -8.990 1.00 0.00 O ATOM 0 H GLY A 12 12.393 -2.376 -6.815 1.00 0.00 H new ATOM 0 HA2 GLY A 12 11.955 -3.526 -9.320 1.00 0.00 H new ATOM 0 HA3 GLY A 12 13.410 -3.791 -8.380 1.00 0.00 H new ATOM 188 N THR A 13 11.691 -5.608 -6.838 1.00 0.00 N ATOM 189 CA THR A 13 11.225 -6.939 -6.402 1.00 0.00 C ATOM 190 C THR A 13 10.999 -6.856 -4.905 1.00 0.00 C ATOM 191 O THR A 13 10.000 -7.301 -4.420 1.00 0.00 O ATOM 192 CB THR A 13 12.268 -8.026 -6.688 1.00 0.00 C ATOM 193 OG1 THR A 13 12.157 -9.043 -5.702 1.00 0.00 O ATOM 194 CG2 THR A 13 13.688 -7.444 -6.652 1.00 0.00 C ATOM 0 H THR A 13 11.840 -4.949 -6.074 1.00 0.00 H new ATOM 0 HA THR A 13 10.317 -7.204 -6.944 1.00 0.00 H new ATOM 0 HB THR A 13 12.085 -8.435 -7.682 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.820 -9.743 -5.878 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.410 -8.234 -6.858 1.00 0.00 H new ATOM 0 HG22 THR A 13 13.780 -6.663 -7.406 1.00 0.00 H new ATOM 0 HG23 THR A 13 13.883 -7.022 -5.666 1.00 0.00 H new ATOM 202 N GLY A 14 11.942 -6.254 -4.208 1.00 0.00 N ATOM 203 CA GLY A 14 11.884 -6.069 -2.713 1.00 0.00 C ATOM 204 C GLY A 14 10.811 -6.937 -2.049 1.00 0.00 C ATOM 205 O GLY A 14 10.111 -6.485 -1.165 1.00 0.00 O ATOM 0 H GLY A 14 12.785 -5.867 -4.633 1.00 0.00 H new ATOM 0 HA2 GLY A 14 12.857 -6.310 -2.284 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.687 -5.021 -2.489 1.00 0.00 H new ATOM 209 N ALA A 15 10.659 -8.161 -2.480 1.00 0.00 N ATOM 210 CA ALA A 15 9.613 -9.059 -1.895 1.00 0.00 C ATOM 211 C ALA A 15 8.301 -8.821 -2.642 1.00 0.00 C ATOM 212 O ALA A 15 7.510 -9.722 -2.838 1.00 0.00 O ATOM 213 CB ALA A 15 9.425 -8.769 -0.403 1.00 0.00 C ATOM 0 H ALA A 15 11.219 -8.584 -3.220 1.00 0.00 H new ATOM 0 HA ALA A 15 9.924 -10.098 -1.999 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.661 -9.432 0.003 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.366 -8.936 0.121 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.114 -7.733 -0.270 1.00 0.00 H new ATOM 219 N VAL A 16 8.085 -7.614 -3.091 1.00 0.00 N ATOM 220 CA VAL A 16 6.853 -7.307 -3.863 1.00 0.00 C ATOM 221 C VAL A 16 7.226 -7.266 -5.349 1.00 0.00 C ATOM 222 O VAL A 16 8.196 -6.643 -5.732 1.00 0.00 O ATOM 223 CB VAL A 16 6.299 -5.944 -3.435 1.00 0.00 C ATOM 224 CG1 VAL A 16 5.397 -6.120 -2.214 1.00 0.00 C ATOM 225 CG2 VAL A 16 7.456 -5.005 -3.078 1.00 0.00 C ATOM 0 H VAL A 16 8.715 -6.824 -2.954 1.00 0.00 H new ATOM 0 HA VAL A 16 6.092 -8.066 -3.680 1.00 0.00 H new ATOM 0 HB VAL A 16 5.724 -5.516 -4.257 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.003 -5.150 -1.910 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.571 -6.785 -2.465 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.973 -6.551 -1.395 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.058 -4.037 -2.774 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.033 -5.434 -2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.101 -4.876 -3.947 1.00 0.00 H new ATOM 235 N THR A 17 6.471 -7.917 -6.191 1.00 0.00 N ATOM 236 CA THR A 17 6.800 -7.902 -7.647 1.00 0.00 C ATOM 237 C THR A 17 6.168 -6.670 -8.294 1.00 0.00 C ATOM 238 O THR A 17 5.966 -6.613 -9.490 1.00 0.00 O ATOM 239 CB THR A 17 6.252 -9.168 -8.311 1.00 0.00 C ATOM 240 OG1 THR A 17 5.060 -9.568 -7.650 1.00 0.00 O ATOM 241 CG2 THR A 17 7.293 -10.285 -8.216 1.00 0.00 C ATOM 0 H THR A 17 5.644 -8.457 -5.937 1.00 0.00 H new ATOM 0 HA THR A 17 7.882 -7.868 -7.776 1.00 0.00 H new ATOM 0 HB THR A 17 6.035 -8.966 -9.360 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.706 -10.377 -8.075 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.903 -11.187 -8.689 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.207 -9.975 -8.723 1.00 0.00 H new ATOM 0 HG23 THR A 17 7.512 -10.490 -7.168 1.00 0.00 H new ATOM 249 N GLN A 18 5.861 -5.684 -7.503 1.00 0.00 N ATOM 250 CA GLN A 18 5.243 -4.439 -8.040 1.00 0.00 C ATOM 251 C GLN A 18 5.070 -3.445 -6.891 1.00 0.00 C ATOM 252 O GLN A 18 5.349 -3.753 -5.748 1.00 0.00 O ATOM 253 CB GLN A 18 3.867 -4.757 -8.636 1.00 0.00 C ATOM 254 CG GLN A 18 4.006 -5.076 -10.125 1.00 0.00 C ATOM 255 CD GLN A 18 3.549 -6.515 -10.381 1.00 0.00 C ATOM 256 OE1 GLN A 18 4.220 -7.265 -11.061 1.00 0.00 O ATOM 257 NE2 GLN A 18 2.427 -6.930 -9.861 1.00 0.00 N ATOM 0 H GLN A 18 6.013 -5.686 -6.494 1.00 0.00 H new ATOM 0 HA GLN A 18 5.882 -4.017 -8.816 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.422 -5.604 -8.114 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.196 -3.909 -8.498 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.407 -4.382 -10.714 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.042 -4.950 -10.440 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.865 -6.298 -9.290 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.112 -7.886 -10.025 1.00 0.00 H new ATOM 266 N ALA A 19 4.613 -2.257 -7.174 1.00 0.00 N ATOM 267 CA ALA A 19 4.427 -1.262 -6.080 1.00 0.00 C ATOM 268 C ALA A 19 4.019 0.091 -6.664 1.00 0.00 C ATOM 269 O ALA A 19 4.122 0.326 -7.852 1.00 0.00 O ATOM 270 CB ALA A 19 5.734 -1.108 -5.306 1.00 0.00 C ATOM 0 H ALA A 19 4.362 -1.933 -8.108 1.00 0.00 H new ATOM 0 HA ALA A 19 3.642 -1.612 -5.410 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.599 -0.380 -4.506 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.019 -2.069 -4.878 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.518 -0.764 -5.981 1.00 0.00 H new ATOM 276 N ALA A 20 3.557 0.980 -5.830 1.00 0.00 N ATOM 277 CA ALA A 20 3.140 2.324 -6.317 1.00 0.00 C ATOM 278 C ALA A 20 3.036 3.274 -5.124 1.00 0.00 C ATOM 279 O ALA A 20 2.502 2.929 -4.089 1.00 0.00 O ATOM 280 CB ALA A 20 1.776 2.224 -7.006 1.00 0.00 C ATOM 0 H ALA A 20 3.450 0.832 -4.826 1.00 0.00 H new ATOM 0 HA ALA A 20 3.875 2.699 -7.029 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.474 3.210 -7.361 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.845 1.539 -7.851 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.037 1.852 -6.297 1.00 0.00 H new ATOM 286 N ILE A 21 3.536 4.471 -5.256 1.00 0.00 N ATOM 287 CA ILE A 21 3.451 5.434 -4.123 1.00 0.00 C ATOM 288 C ILE A 21 2.203 6.299 -4.315 1.00 0.00 C ATOM 289 O ILE A 21 2.288 7.490 -4.543 1.00 0.00 O ATOM 290 CB ILE A 21 4.698 6.330 -4.084 1.00 0.00 C ATOM 291 CG1 ILE A 21 5.928 5.556 -4.587 1.00 0.00 C ATOM 292 CG2 ILE A 21 4.943 6.795 -2.643 1.00 0.00 C ATOM 293 CD1 ILE A 21 6.480 4.654 -3.475 1.00 0.00 C ATOM 0 H ILE A 21 3.998 4.823 -6.095 1.00 0.00 H new ATOM 0 HA ILE A 21 3.393 4.886 -3.183 1.00 0.00 H new ATOM 0 HB ILE A 21 4.535 7.193 -4.730 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.657 4.953 -5.453 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.698 6.255 -4.913 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.827 7.431 -2.611 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.079 7.357 -2.290 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.097 5.927 -2.002 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.350 4.112 -3.845 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.769 5.266 -2.620 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.713 3.943 -3.169 1.00 0.00 H new ATOM 305 N LEU A 22 1.044 5.704 -4.227 1.00 0.00 N ATOM 306 CA LEU A 22 -0.214 6.482 -4.405 1.00 0.00 C ATOM 307 C LEU A 22 -0.284 7.567 -3.327 1.00 0.00 C ATOM 308 O LEU A 22 -0.462 7.286 -2.158 1.00 0.00 O ATOM 309 CB LEU A 22 -1.420 5.542 -4.281 1.00 0.00 C ATOM 310 CG LEU A 22 -1.188 4.290 -5.136 1.00 0.00 C ATOM 311 CD1 LEU A 22 -2.458 3.436 -5.163 1.00 0.00 C ATOM 312 CD2 LEU A 22 -0.830 4.706 -6.565 1.00 0.00 C ATOM 0 H LEU A 22 0.915 4.710 -4.039 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.228 6.947 -5.391 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.568 5.260 -3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.327 6.053 -4.605 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.371 3.710 -4.706 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.287 2.548 -5.772 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.716 3.135 -4.148 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.277 4.015 -5.589 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.665 3.816 -7.173 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.647 5.289 -6.990 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.078 5.309 -6.552 1.00 0.00 H new ATOM 324 N GLY A 23 -0.129 8.806 -3.710 1.00 0.00 N ATOM 325 CA GLY A 23 -0.168 9.914 -2.712 1.00 0.00 C ATOM 326 C GLY A 23 -1.523 9.943 -1.998 1.00 0.00 C ATOM 327 O GLY A 23 -2.507 9.425 -2.487 1.00 0.00 O ATOM 0 H GLY A 23 0.024 9.099 -4.675 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.632 9.783 -1.983 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.008 10.867 -3.211 1.00 0.00 H new ATOM 331 N LEU A 24 -1.577 10.558 -0.845 1.00 0.00 N ATOM 332 CA LEU A 24 -2.864 10.639 -0.094 1.00 0.00 C ATOM 333 C LEU A 24 -3.389 12.075 -0.139 1.00 0.00 C ATOM 334 O LEU A 24 -4.486 12.360 0.302 1.00 0.00 O ATOM 335 CB LEU A 24 -2.638 10.228 1.366 1.00 0.00 C ATOM 336 CG LEU A 24 -1.892 11.338 2.109 1.00 0.00 C ATOM 337 CD1 LEU A 24 -2.827 11.983 3.134 1.00 0.00 C ATOM 338 CD2 LEU A 24 -0.680 10.741 2.831 1.00 0.00 C ATOM 0 H LEU A 24 -0.783 11.009 -0.391 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.590 9.967 -0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.595 10.033 1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.065 9.302 1.408 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.558 12.092 1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.296 12.774 3.664 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.692 12.406 2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.160 11.229 3.847 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.147 11.530 3.361 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.016 9.988 3.544 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.014 10.279 2.102 1.00 0.00 H new ATOM 350 N ASP A 25 -2.613 12.981 -0.665 1.00 0.00 N ATOM 351 CA ASP A 25 -3.058 14.400 -0.735 1.00 0.00 C ATOM 352 C ASP A 25 -2.553 15.025 -2.037 1.00 0.00 C ATOM 353 O ASP A 25 -2.212 16.190 -2.087 1.00 0.00 O ATOM 354 CB ASP A 25 -2.480 15.169 0.455 1.00 0.00 C ATOM 355 CG ASP A 25 -3.560 16.062 1.064 1.00 0.00 C ATOM 356 OD1 ASP A 25 -4.571 16.267 0.411 1.00 0.00 O ATOM 357 OD2 ASP A 25 -3.361 16.528 2.174 1.00 0.00 O ATOM 0 H ASP A 25 -1.686 12.799 -1.051 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.147 14.446 -0.707 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.106 14.471 1.204 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.633 15.774 0.132 1.00 0.00 H new ATOM 362 N GLY A 26 -2.499 14.259 -3.092 1.00 0.00 N ATOM 363 CA GLY A 26 -2.011 14.813 -4.387 1.00 0.00 C ATOM 364 C GLY A 26 -2.175 13.764 -5.489 1.00 0.00 C ATOM 365 O GLY A 26 -1.420 13.728 -6.440 1.00 0.00 O ATOM 0 H GLY A 26 -2.771 13.276 -3.114 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.570 15.714 -4.642 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.964 15.102 -4.299 1.00 0.00 H new ATOM 369 N ASN A 27 -3.153 12.910 -5.370 1.00 0.00 N ATOM 370 CA ASN A 27 -3.359 11.869 -6.414 1.00 0.00 C ATOM 371 C ASN A 27 -2.157 10.920 -6.434 1.00 0.00 C ATOM 372 O ASN A 27 -1.580 10.616 -5.409 1.00 0.00 O ATOM 373 CB ASN A 27 -3.509 12.547 -7.777 1.00 0.00 C ATOM 374 CG ASN A 27 -4.384 13.793 -7.629 1.00 0.00 C ATOM 375 OD1 ASN A 27 -5.355 13.783 -6.898 1.00 0.00 O ATOM 376 ND2 ASN A 27 -4.079 14.873 -8.293 1.00 0.00 N ATOM 0 H ASN A 27 -3.817 12.888 -4.596 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.260 11.298 -6.192 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.530 12.821 -8.169 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.957 11.857 -8.492 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -4.655 15.709 -8.199 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -3.264 14.881 -8.906 1.00 0.00 H new ATOM 383 N THR A 28 -1.778 10.444 -7.589 1.00 0.00 N ATOM 384 CA THR A 28 -0.619 9.509 -7.667 1.00 0.00 C ATOM 385 C THR A 28 0.693 10.290 -7.554 1.00 0.00 C ATOM 386 O THR A 28 0.798 11.420 -7.989 1.00 0.00 O ATOM 387 CB THR A 28 -0.652 8.769 -9.006 1.00 0.00 C ATOM 388 OG1 THR A 28 -1.919 8.148 -9.172 1.00 0.00 O ATOM 389 CG2 THR A 28 0.449 7.709 -9.034 1.00 0.00 C ATOM 0 H THR A 28 -2.221 10.662 -8.482 1.00 0.00 H new ATOM 0 HA THR A 28 -0.683 8.794 -6.847 1.00 0.00 H new ATOM 0 HB THR A 28 -0.488 9.478 -9.817 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.942 7.675 -10.030 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.424 7.183 -9.988 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.420 8.189 -8.910 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.290 6.998 -8.224 1.00 0.00 H new ATOM 397 N TRP A 29 1.698 9.688 -6.979 1.00 0.00 N ATOM 398 CA TRP A 29 3.011 10.378 -6.841 1.00 0.00 C ATOM 399 C TRP A 29 4.046 9.643 -7.695 1.00 0.00 C ATOM 400 O TRP A 29 4.791 10.241 -8.446 1.00 0.00 O ATOM 401 CB TRP A 29 3.454 10.349 -5.376 1.00 0.00 C ATOM 402 CG TRP A 29 2.876 11.522 -4.650 1.00 0.00 C ATOM 403 CD1 TRP A 29 1.702 12.123 -4.948 1.00 0.00 C ATOM 404 CD2 TRP A 29 3.428 12.243 -3.511 1.00 0.00 C ATOM 405 NE1 TRP A 29 1.498 13.168 -4.064 1.00 0.00 N ATOM 406 CE2 TRP A 29 2.535 13.282 -3.160 1.00 0.00 C ATOM 407 CE3 TRP A 29 4.606 12.097 -2.758 1.00 0.00 C ATOM 408 CZ2 TRP A 29 2.801 14.146 -2.096 1.00 0.00 C ATOM 409 CZ3 TRP A 29 4.878 12.964 -1.687 1.00 0.00 C ATOM 410 CH2 TRP A 29 3.978 13.986 -1.358 1.00 0.00 C ATOM 0 H TRP A 29 1.665 8.743 -6.597 1.00 0.00 H new ATOM 0 HA TRP A 29 2.920 11.413 -7.170 1.00 0.00 H new ATOM 0 HB2 TRP A 29 3.127 9.421 -4.906 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.542 10.372 -5.315 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.033 11.835 -5.745 1.00 0.00 H new ATOM 0 HE1 TRP A 29 0.681 13.779 -4.079 1.00 0.00 H new ATOM 0 HE3 TRP A 29 5.307 11.313 -3.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 2.104 14.931 -1.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 5.785 12.842 -1.114 1.00 0.00 H new ATOM 0 HH2 TRP A 29 4.193 14.650 -0.534 1.00 0.00 H new ATOM 421 N ALA A 30 4.088 8.342 -7.584 1.00 0.00 N ATOM 422 CA ALA A 30 5.063 7.547 -8.384 1.00 0.00 C ATOM 423 C ALA A 30 4.508 6.132 -8.568 1.00 0.00 C ATOM 424 O ALA A 30 3.559 5.743 -7.918 1.00 0.00 O ATOM 425 CB ALA A 30 6.401 7.482 -7.643 1.00 0.00 C ATOM 0 H ALA A 30 3.486 7.794 -6.970 1.00 0.00 H new ATOM 0 HA ALA A 30 5.217 8.015 -9.356 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.113 6.901 -8.228 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.787 8.491 -7.500 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.257 7.008 -6.672 1.00 0.00 H new ATOM 431 N THR A 31 5.083 5.357 -9.446 1.00 0.00 N ATOM 432 CA THR A 31 4.565 3.975 -9.652 1.00 0.00 C ATOM 433 C THR A 31 5.633 3.109 -10.322 1.00 0.00 C ATOM 434 O THR A 31 6.557 3.604 -10.937 1.00 0.00 O ATOM 435 CB THR A 31 3.321 4.024 -10.542 1.00 0.00 C ATOM 436 OG1 THR A 31 2.806 2.710 -10.707 1.00 0.00 O ATOM 437 CG2 THR A 31 3.690 4.604 -11.908 1.00 0.00 C ATOM 0 H THR A 31 5.882 5.617 -10.025 1.00 0.00 H new ATOM 0 HA THR A 31 4.309 3.543 -8.684 1.00 0.00 H new ATOM 0 HB THR A 31 2.565 4.655 -10.075 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.008 2.740 -11.275 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.803 4.638 -12.540 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.084 5.612 -11.781 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.447 3.976 -12.378 1.00 0.00 H new ATOM 445 N SER A 32 5.504 1.816 -10.206 1.00 0.00 N ATOM 446 CA SER A 32 6.498 0.900 -10.832 1.00 0.00 C ATOM 447 C SER A 32 5.810 -0.420 -11.188 1.00 0.00 C ATOM 448 O SER A 32 5.718 -1.322 -10.376 1.00 0.00 O ATOM 449 CB SER A 32 7.635 0.634 -9.846 1.00 0.00 C ATOM 450 OG SER A 32 8.807 1.304 -10.291 1.00 0.00 O ATOM 0 H SER A 32 4.748 1.352 -9.702 1.00 0.00 H new ATOM 0 HA SER A 32 6.902 1.357 -11.735 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.358 0.983 -8.851 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.822 -0.437 -9.768 1.00 0.00 H new ATOM 0 HG SER A 32 8.567 2.192 -10.631 1.00 0.00 H new ATOM 456 N ALA A 33 5.322 -0.542 -12.392 1.00 0.00 N ATOM 457 CA ALA A 33 4.638 -1.803 -12.791 1.00 0.00 C ATOM 458 C ALA A 33 3.964 -1.611 -14.149 1.00 0.00 C ATOM 459 O ALA A 33 4.185 -2.366 -15.076 1.00 0.00 O ATOM 460 CB ALA A 33 3.582 -2.158 -11.742 1.00 0.00 C ATOM 0 H ALA A 33 5.367 0.176 -13.115 1.00 0.00 H new ATOM 0 HA ALA A 33 5.369 -2.609 -12.862 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.079 -3.081 -12.030 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.063 -2.294 -10.773 1.00 0.00 H new ATOM 0 HB3 ALA A 33 2.851 -1.352 -11.674 1.00 0.00 H new ATOM 466 N GLY A 34 3.141 -0.608 -14.274 1.00 0.00 N ATOM 467 CA GLY A 34 2.452 -0.369 -15.573 1.00 0.00 C ATOM 468 C GLY A 34 0.937 -0.408 -15.365 1.00 0.00 C ATOM 469 O GLY A 34 0.180 -0.592 -16.296 1.00 0.00 O ATOM 0 H GLY A 34 2.916 0.056 -13.534 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.748 0.597 -15.981 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.749 -1.126 -16.299 1.00 0.00 H new ATOM 473 N PHE A 35 0.488 -0.240 -14.152 1.00 0.00 N ATOM 474 CA PHE A 35 -0.979 -0.271 -13.894 1.00 0.00 C ATOM 475 C PHE A 35 -1.399 1.013 -13.170 1.00 0.00 C ATOM 476 O PHE A 35 -0.756 1.447 -12.235 1.00 0.00 O ATOM 477 CB PHE A 35 -1.320 -1.495 -13.036 1.00 0.00 C ATOM 478 CG PHE A 35 -0.966 -1.229 -11.591 1.00 0.00 C ATOM 479 CD1 PHE A 35 0.376 -1.196 -11.191 1.00 0.00 C ATOM 480 CD2 PHE A 35 -1.982 -1.008 -10.653 1.00 0.00 C ATOM 481 CE1 PHE A 35 0.700 -0.945 -9.853 1.00 0.00 C ATOM 482 CE2 PHE A 35 -1.658 -0.757 -9.316 1.00 0.00 C ATOM 483 CZ PHE A 35 -0.317 -0.724 -8.916 1.00 0.00 C ATOM 0 H PHE A 35 1.072 -0.083 -13.330 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.517 -0.337 -14.840 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -2.382 -1.725 -13.122 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.774 -2.366 -13.398 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.160 -1.364 -11.915 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -3.016 -1.031 -10.962 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.734 -0.922 -9.543 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.442 -0.589 -8.592 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.066 -0.528 -7.884 1.00 0.00 H new ATOM 493 N ALA A 36 -2.471 1.623 -13.595 1.00 0.00 N ATOM 494 CA ALA A 36 -2.929 2.876 -12.929 1.00 0.00 C ATOM 495 C ALA A 36 -4.216 2.594 -12.151 1.00 0.00 C ATOM 496 O ALA A 36 -5.151 2.014 -12.667 1.00 0.00 O ATOM 497 CB ALA A 36 -3.189 3.950 -13.986 1.00 0.00 C ATOM 0 H ALA A 36 -3.050 1.309 -14.374 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.160 3.228 -12.241 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.524 4.866 -13.499 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.270 4.147 -14.538 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.959 3.603 -14.675 1.00 0.00 H new ATOM 503 N VAL A 37 -4.270 3.000 -10.910 1.00 0.00 N ATOM 504 CA VAL A 37 -5.492 2.752 -10.095 1.00 0.00 C ATOM 505 C VAL A 37 -6.562 3.788 -10.446 1.00 0.00 C ATOM 506 O VAL A 37 -6.303 4.974 -10.495 1.00 0.00 O ATOM 507 CB VAL A 37 -5.144 2.867 -8.609 1.00 0.00 C ATOM 508 CG1 VAL A 37 -6.372 2.517 -7.768 1.00 0.00 C ATOM 509 CG2 VAL A 37 -4.006 1.898 -8.276 1.00 0.00 C ATOM 0 H VAL A 37 -3.519 3.493 -10.426 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.871 1.752 -10.307 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.831 3.887 -8.387 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.124 2.599 -6.710 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.183 3.205 -8.005 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.686 1.497 -7.989 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.757 1.979 -7.218 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.320 0.878 -8.498 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.130 2.146 -8.875 1.00 0.00 H new ATOM 519 N THR A 38 -7.766 3.347 -10.690 1.00 0.00 N ATOM 520 CA THR A 38 -8.856 4.301 -11.034 1.00 0.00 C ATOM 521 C THR A 38 -8.850 5.453 -10.020 1.00 0.00 C ATOM 522 O THR A 38 -8.913 5.219 -8.829 1.00 0.00 O ATOM 523 CB THR A 38 -10.201 3.571 -10.972 1.00 0.00 C ATOM 524 OG1 THR A 38 -10.072 2.296 -11.585 1.00 0.00 O ATOM 525 CG2 THR A 38 -11.268 4.386 -11.706 1.00 0.00 C ATOM 0 H THR A 38 -8.041 2.365 -10.666 1.00 0.00 H new ATOM 0 HA THR A 38 -8.703 4.696 -12.038 1.00 0.00 H new ATOM 0 HB THR A 38 -10.498 3.449 -9.930 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.931 1.826 -11.545 1.00 0.00 H new ATOM 0 HG21 THR A 38 -12.223 3.862 -11.659 1.00 0.00 H new ATOM 0 HG22 THR A 38 -11.367 5.364 -11.235 1.00 0.00 H new ATOM 0 HG23 THR A 38 -10.975 4.514 -12.748 1.00 0.00 H new ATOM 533 N PRO A 39 -8.775 6.666 -10.512 1.00 0.00 N ATOM 534 CA PRO A 39 -8.759 7.856 -9.643 1.00 0.00 C ATOM 535 C PRO A 39 -10.026 7.895 -8.787 1.00 0.00 C ATOM 536 O PRO A 39 -9.992 8.241 -7.622 1.00 0.00 O ATOM 537 CB PRO A 39 -8.714 9.049 -10.608 1.00 0.00 C ATOM 538 CG PRO A 39 -8.673 8.484 -12.051 1.00 0.00 C ATOM 539 CD PRO A 39 -8.706 6.951 -11.955 1.00 0.00 C ATOM 0 HA PRO A 39 -7.913 7.861 -8.955 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.588 9.686 -10.471 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.837 9.666 -10.413 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -9.522 8.849 -12.629 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.771 8.815 -12.566 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -9.568 6.540 -12.481 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.817 6.507 -12.404 1.00 0.00 H new ATOM 547 N ALA A 40 -11.144 7.537 -9.354 1.00 0.00 N ATOM 548 CA ALA A 40 -12.410 7.547 -8.572 1.00 0.00 C ATOM 549 C ALA A 40 -12.262 6.620 -7.364 1.00 0.00 C ATOM 550 O ALA A 40 -12.599 6.975 -6.252 1.00 0.00 O ATOM 551 CB ALA A 40 -13.559 7.056 -9.453 1.00 0.00 C ATOM 0 H ALA A 40 -11.235 7.238 -10.325 1.00 0.00 H new ATOM 0 HA ALA A 40 -12.623 8.561 -8.233 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -14.486 7.064 -8.880 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -13.661 7.713 -10.317 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.350 6.041 -9.791 1.00 0.00 H new ATOM 557 N GLN A 41 -11.755 5.435 -7.573 1.00 0.00 N ATOM 558 CA GLN A 41 -11.584 4.488 -6.435 1.00 0.00 C ATOM 559 C GLN A 41 -10.601 5.085 -5.424 1.00 0.00 C ATOM 560 O GLN A 41 -10.583 4.713 -4.268 1.00 0.00 O ATOM 561 CB GLN A 41 -11.035 3.158 -6.955 1.00 0.00 C ATOM 562 CG GLN A 41 -12.196 2.211 -7.270 1.00 0.00 C ATOM 563 CD GLN A 41 -12.960 1.892 -5.984 1.00 0.00 C ATOM 564 OE1 GLN A 41 -13.860 2.614 -5.601 1.00 0.00 O ATOM 565 NE2 GLN A 41 -12.640 0.829 -5.296 1.00 0.00 N ATOM 0 H GLN A 41 -11.452 5.083 -8.481 1.00 0.00 H new ATOM 0 HA GLN A 41 -12.547 4.318 -5.953 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.436 3.325 -7.850 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.378 2.709 -6.211 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -12.865 2.669 -7.998 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -11.818 1.292 -7.718 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.885 0.222 -5.616 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -13.145 0.605 -4.438 1.00 0.00 H new ATOM 574 N GLY A 42 -9.785 6.010 -5.850 1.00 0.00 N ATOM 575 CA GLY A 42 -8.804 6.631 -4.914 1.00 0.00 C ATOM 576 C GLY A 42 -9.554 7.299 -3.759 1.00 0.00 C ATOM 577 O GLY A 42 -9.051 7.401 -2.657 1.00 0.00 O ATOM 0 H GLY A 42 -9.755 6.363 -6.806 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.122 5.873 -4.529 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.197 7.367 -5.442 1.00 0.00 H new ATOM 581 N GLN A 43 -10.753 7.756 -4.001 1.00 0.00 N ATOM 582 CA GLN A 43 -11.534 8.418 -2.916 1.00 0.00 C ATOM 583 C GLN A 43 -11.900 7.385 -1.850 1.00 0.00 C ATOM 584 O GLN A 43 -11.779 7.631 -0.666 1.00 0.00 O ATOM 585 CB GLN A 43 -12.814 9.016 -3.504 1.00 0.00 C ATOM 586 CG GLN A 43 -12.578 10.485 -3.857 1.00 0.00 C ATOM 587 CD GLN A 43 -13.291 10.814 -5.170 1.00 0.00 C ATOM 588 OE1 GLN A 43 -12.664 11.203 -6.134 1.00 0.00 O ATOM 589 NE2 GLN A 43 -14.586 10.670 -5.249 1.00 0.00 N ATOM 0 H GLN A 43 -11.226 7.700 -4.903 1.00 0.00 H new ATOM 0 HA GLN A 43 -10.934 9.209 -2.466 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.112 8.461 -4.394 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -13.630 8.930 -2.787 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -12.950 11.127 -3.058 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -11.510 10.680 -3.952 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -15.113 10.343 -4.439 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -15.071 10.884 -6.120 1.00 0.00 H new ATOM 598 N THR A 44 -12.347 6.229 -2.260 1.00 0.00 N ATOM 599 CA THR A 44 -12.721 5.181 -1.270 1.00 0.00 C ATOM 600 C THR A 44 -11.523 4.885 -0.368 1.00 0.00 C ATOM 601 O THR A 44 -11.671 4.447 0.755 1.00 0.00 O ATOM 602 CB THR A 44 -13.131 3.905 -2.009 1.00 0.00 C ATOM 603 OG1 THR A 44 -14.389 4.109 -2.639 1.00 0.00 O ATOM 604 CG2 THR A 44 -13.237 2.749 -1.015 1.00 0.00 C ATOM 0 H THR A 44 -12.469 5.966 -3.238 1.00 0.00 H new ATOM 0 HA THR A 44 -13.555 5.533 -0.664 1.00 0.00 H new ATOM 0 HB THR A 44 -12.381 3.664 -2.763 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.653 3.294 -3.114 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.529 1.841 -1.543 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.272 2.594 -0.533 1.00 0.00 H new ATOM 0 HG23 THR A 44 -13.986 2.986 -0.259 1.00 0.00 H new ATOM 612 N LEU A 45 -10.334 5.120 -0.853 1.00 0.00 N ATOM 613 CA LEU A 45 -9.126 4.852 -0.026 1.00 0.00 C ATOM 614 C LEU A 45 -9.000 5.928 1.056 1.00 0.00 C ATOM 615 O LEU A 45 -8.687 5.643 2.195 1.00 0.00 O ATOM 616 CB LEU A 45 -7.883 4.875 -0.919 1.00 0.00 C ATOM 617 CG LEU A 45 -6.699 4.277 -0.161 1.00 0.00 C ATOM 618 CD1 LEU A 45 -6.741 2.750 -0.269 1.00 0.00 C ATOM 619 CD2 LEU A 45 -5.392 4.792 -0.766 1.00 0.00 C ATOM 0 H LEU A 45 -10.148 5.486 -1.787 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.216 3.873 0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.068 4.308 -1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.657 5.898 -1.219 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.756 4.570 0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.896 2.324 0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.672 2.380 0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.685 2.458 -1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.548 4.365 -0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.336 4.500 -1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.359 5.879 -0.690 1.00 0.00 H new ATOM 631 N ALA A 46 -9.247 7.162 0.710 1.00 0.00 N ATOM 632 CA ALA A 46 -9.146 8.252 1.720 1.00 0.00 C ATOM 633 C ALA A 46 -10.220 8.049 2.789 1.00 0.00 C ATOM 634 O ALA A 46 -9.945 8.064 3.972 1.00 0.00 O ATOM 635 CB ALA A 46 -9.357 9.605 1.035 1.00 0.00 C ATOM 0 H ALA A 46 -9.514 7.462 -0.228 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.159 8.231 2.183 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.283 10.403 1.774 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.594 9.748 0.269 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.344 9.629 0.573 1.00 0.00 H new ATOM 641 N SER A 47 -11.443 7.854 2.380 1.00 0.00 N ATOM 642 CA SER A 47 -12.535 7.644 3.372 1.00 0.00 C ATOM 643 C SER A 47 -12.307 6.316 4.097 1.00 0.00 C ATOM 644 O SER A 47 -12.875 6.060 5.141 1.00 0.00 O ATOM 645 CB SER A 47 -13.882 7.606 2.648 1.00 0.00 C ATOM 646 OG SER A 47 -14.574 8.826 2.879 1.00 0.00 O ATOM 0 H SER A 47 -11.734 7.831 1.403 1.00 0.00 H new ATOM 0 HA SER A 47 -12.536 8.460 4.094 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.729 7.458 1.579 1.00 0.00 H new ATOM 0 HB3 SER A 47 -14.476 6.764 3.005 1.00 0.00 H new ATOM 0 HG SER A 47 -15.437 8.806 2.415 1.00 0.00 H new ATOM 652 N ALA A 48 -11.475 5.471 3.552 1.00 0.00 N ATOM 653 CA ALA A 48 -11.203 4.160 4.206 1.00 0.00 C ATOM 654 C ALA A 48 -10.381 4.385 5.476 1.00 0.00 C ATOM 655 O ALA A 48 -10.454 3.620 6.417 1.00 0.00 O ATOM 656 CB ALA A 48 -10.418 3.265 3.246 1.00 0.00 C ATOM 0 H ALA A 48 -10.971 5.633 2.680 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.147 3.680 4.463 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.219 2.306 3.724 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -11.001 3.105 2.339 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.474 3.746 2.990 1.00 0.00 H new ATOM 662 N PHE A 49 -9.600 5.429 5.509 1.00 0.00 N ATOM 663 CA PHE A 49 -8.775 5.702 6.719 1.00 0.00 C ATOM 664 C PHE A 49 -9.582 6.546 7.709 1.00 0.00 C ATOM 665 O PHE A 49 -9.033 7.208 8.567 1.00 0.00 O ATOM 666 CB PHE A 49 -7.508 6.460 6.312 1.00 0.00 C ATOM 667 CG PHE A 49 -6.604 5.540 5.527 1.00 0.00 C ATOM 668 CD1 PHE A 49 -5.926 4.504 6.179 1.00 0.00 C ATOM 669 CD2 PHE A 49 -6.448 5.721 4.148 1.00 0.00 C ATOM 670 CE1 PHE A 49 -5.090 3.648 5.452 1.00 0.00 C ATOM 671 CE2 PHE A 49 -5.612 4.865 3.420 1.00 0.00 C ATOM 672 CZ PHE A 49 -4.933 3.828 4.073 1.00 0.00 C ATOM 0 H PHE A 49 -9.497 6.104 4.751 1.00 0.00 H new ATOM 0 HA PHE A 49 -8.498 4.759 7.190 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.769 7.331 5.711 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.990 6.828 7.198 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.048 4.365 7.243 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.972 6.520 3.645 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -4.566 2.849 5.955 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.491 5.004 2.356 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.288 3.167 3.512 1.00 0.00 H new ATOM 682 N ASN A 50 -10.882 6.525 7.599 1.00 0.00 N ATOM 683 CA ASN A 50 -11.722 7.323 8.535 1.00 0.00 C ATOM 684 C ASN A 50 -12.445 6.379 9.498 1.00 0.00 C ATOM 685 O ASN A 50 -12.505 6.615 10.689 1.00 0.00 O ATOM 686 CB ASN A 50 -12.753 8.128 7.739 1.00 0.00 C ATOM 687 CG ASN A 50 -13.219 9.324 8.571 1.00 0.00 C ATOM 688 OD1 ASN A 50 -13.321 9.235 9.779 1.00 0.00 O ATOM 689 ND2 ASN A 50 -13.515 10.444 7.972 1.00 0.00 N ATOM 0 H ASN A 50 -11.398 5.990 6.901 1.00 0.00 H new ATOM 0 HA ASN A 50 -11.088 8.006 9.100 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -12.316 8.472 6.801 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -13.604 7.497 7.482 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -13.832 11.246 8.517 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -13.429 10.518 6.958 1.00 0.00 H new ATOM 696 N ASN A 51 -12.996 5.309 8.992 1.00 0.00 N ATOM 697 CA ASN A 51 -13.714 4.349 9.879 1.00 0.00 C ATOM 698 C ASN A 51 -13.092 2.958 9.735 1.00 0.00 C ATOM 699 O ASN A 51 -12.718 2.543 8.657 1.00 0.00 O ATOM 700 CB ASN A 51 -15.189 4.291 9.477 1.00 0.00 C ATOM 701 CG ASN A 51 -15.984 5.305 10.303 1.00 0.00 C ATOM 702 OD1 ASN A 51 -15.511 6.391 10.571 1.00 0.00 O ATOM 703 ND2 ASN A 51 -17.180 4.992 10.719 1.00 0.00 N ATOM 0 H ASN A 51 -12.980 5.058 8.003 1.00 0.00 H new ATOM 0 HA ASN A 51 -13.631 4.679 10.915 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -15.296 4.508 8.414 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -15.582 3.287 9.638 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -17.719 5.660 11.270 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -17.576 4.080 10.493 1.00 0.00 H new ATOM 710 N ALA A 52 -12.980 2.234 10.815 1.00 0.00 N ATOM 711 CA ALA A 52 -12.383 0.870 10.739 1.00 0.00 C ATOM 712 C ALA A 52 -13.487 -0.182 10.870 1.00 0.00 C ATOM 713 O ALA A 52 -13.242 -1.369 10.775 1.00 0.00 O ATOM 714 CB ALA A 52 -11.374 0.688 11.875 1.00 0.00 C ATOM 0 H ALA A 52 -13.276 2.527 11.746 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.879 0.751 9.780 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.938 -0.310 11.818 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.585 1.434 11.784 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.879 0.809 12.833 1.00 0.00 H new ATOM 720 N ASP A 53 -14.702 0.240 11.094 1.00 0.00 N ATOM 721 CA ASP A 53 -15.817 -0.737 11.239 1.00 0.00 C ATOM 722 C ASP A 53 -16.245 -1.264 9.861 1.00 0.00 C ATOM 723 O ASP A 53 -16.271 -2.459 9.645 1.00 0.00 O ATOM 724 CB ASP A 53 -17.008 -0.055 11.918 1.00 0.00 C ATOM 725 CG ASP A 53 -17.132 -0.554 13.359 1.00 0.00 C ATOM 726 OD1 ASP A 53 -17.715 -1.607 13.552 1.00 0.00 O ATOM 727 OD2 ASP A 53 -16.641 0.127 14.245 1.00 0.00 O ATOM 0 H ASP A 53 -14.970 1.220 11.183 1.00 0.00 H new ATOM 0 HA ASP A 53 -15.477 -1.575 11.848 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -16.875 1.027 11.907 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -17.925 -0.269 11.368 1.00 0.00 H new ATOM 732 N PRO A 54 -16.583 -0.360 8.975 1.00 0.00 N ATOM 733 CA PRO A 54 -17.033 -0.724 7.616 1.00 0.00 C ATOM 734 C PRO A 54 -15.929 -1.456 6.843 1.00 0.00 C ATOM 735 O PRO A 54 -16.165 -1.998 5.781 1.00 0.00 O ATOM 736 CB PRO A 54 -17.363 0.614 6.939 1.00 0.00 C ATOM 737 CG PRO A 54 -17.060 1.744 7.955 1.00 0.00 C ATOM 738 CD PRO A 54 -16.546 1.089 9.247 1.00 0.00 C ATOM 0 HA PRO A 54 -17.888 -1.400 7.642 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -16.767 0.742 6.035 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -18.410 0.642 6.637 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -16.315 2.430 7.552 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -17.958 2.329 8.154 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -15.535 1.421 9.484 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -17.175 1.348 10.099 1.00 0.00 H new ATOM 746 N ILE A 55 -14.729 -1.480 7.357 1.00 0.00 N ATOM 747 CA ILE A 55 -13.629 -2.181 6.628 1.00 0.00 C ATOM 748 C ILE A 55 -13.325 -3.513 7.315 1.00 0.00 C ATOM 749 O ILE A 55 -12.808 -4.430 6.707 1.00 0.00 O ATOM 750 CB ILE A 55 -12.358 -1.319 6.605 1.00 0.00 C ATOM 751 CG1 ILE A 55 -12.595 0.007 7.338 1.00 0.00 C ATOM 752 CG2 ILE A 55 -11.975 -1.027 5.153 1.00 0.00 C ATOM 753 CD1 ILE A 55 -11.404 0.940 7.103 1.00 0.00 C ATOM 0 H ILE A 55 -14.462 -1.049 8.242 1.00 0.00 H new ATOM 0 HA ILE A 55 -13.952 -2.358 5.602 1.00 0.00 H new ATOM 0 HB ILE A 55 -11.556 -1.861 7.105 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -13.513 0.474 6.980 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -12.725 -0.173 8.405 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.073 -0.415 5.131 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.790 -1.965 4.630 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -12.788 -0.492 4.663 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -11.572 1.883 7.624 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -10.495 0.473 7.482 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -11.296 1.130 6.035 1.00 0.00 H new ATOM 765 N ARG A 56 -13.642 -3.634 8.576 1.00 0.00 N ATOM 766 CA ARG A 56 -13.367 -4.914 9.289 1.00 0.00 C ATOM 767 C ARG A 56 -14.489 -5.912 8.991 1.00 0.00 C ATOM 768 O ARG A 56 -14.380 -7.087 9.277 1.00 0.00 O ATOM 769 CB ARG A 56 -13.290 -4.659 10.798 1.00 0.00 C ATOM 770 CG ARG A 56 -14.666 -4.245 11.329 1.00 0.00 C ATOM 771 CD ARG A 56 -14.779 -4.630 12.804 1.00 0.00 C ATOM 772 NE ARG A 56 -15.931 -5.566 12.993 1.00 0.00 N ATOM 773 CZ ARG A 56 -17.112 -5.300 12.498 1.00 0.00 C ATOM 774 NH1 ARG A 56 -17.373 -4.127 11.982 1.00 0.00 N ATOM 775 NH2 ARG A 56 -18.058 -6.196 12.571 1.00 0.00 N ATOM 0 H ARG A 56 -14.078 -2.905 9.141 1.00 0.00 H new ATOM 0 HA ARG A 56 -12.416 -5.323 8.947 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -12.949 -5.558 11.310 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -12.560 -3.877 11.006 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -14.805 -3.170 11.211 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -15.452 -4.733 10.753 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -13.855 -5.102 13.139 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -14.919 -3.737 13.413 1.00 0.00 H new ATOM 0 HE ARG A 56 -15.792 -6.429 13.519 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -16.651 -3.407 11.962 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -18.298 -3.933 11.599 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -17.874 -7.097 13.012 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -18.981 -5.995 12.187 1.00 0.00 H new ATOM 789 N ALA A 57 -15.566 -5.451 8.417 1.00 0.00 N ATOM 790 CA ALA A 57 -16.694 -6.371 8.100 1.00 0.00 C ATOM 791 C ALA A 57 -16.683 -6.694 6.603 1.00 0.00 C ATOM 792 O ALA A 57 -16.285 -7.767 6.193 1.00 0.00 O ATOM 793 CB ALA A 57 -18.019 -5.699 8.469 1.00 0.00 C ATOM 0 H ALA A 57 -15.714 -4.477 8.154 1.00 0.00 H new ATOM 0 HA ALA A 57 -16.584 -7.293 8.671 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -18.845 -6.371 8.237 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -18.026 -5.469 9.534 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -18.131 -4.777 7.898 1.00 0.00 H new ATOM 799 N SER A 58 -17.116 -5.774 5.784 1.00 0.00 N ATOM 800 CA SER A 58 -17.128 -6.032 4.316 1.00 0.00 C ATOM 801 C SER A 58 -15.759 -5.684 3.728 1.00 0.00 C ATOM 802 O SER A 58 -15.250 -6.370 2.864 1.00 0.00 O ATOM 803 CB SER A 58 -18.202 -5.170 3.654 1.00 0.00 C ATOM 804 OG SER A 58 -18.180 -5.389 2.249 1.00 0.00 O ATOM 0 H SER A 58 -17.461 -4.857 6.067 1.00 0.00 H new ATOM 0 HA SER A 58 -17.346 -7.084 4.133 1.00 0.00 H new ATOM 0 HB2 SER A 58 -19.184 -5.419 4.057 1.00 0.00 H new ATOM 0 HB3 SER A 58 -18.025 -4.117 3.872 1.00 0.00 H new ATOM 0 HG SER A 58 -18.869 -4.839 1.821 1.00 0.00 H new ATOM 810 N GLY A 59 -15.157 -4.623 4.192 1.00 0.00 N ATOM 811 CA GLY A 59 -13.821 -4.234 3.662 1.00 0.00 C ATOM 812 C GLY A 59 -13.994 -3.384 2.403 1.00 0.00 C ATOM 813 O GLY A 59 -15.052 -2.844 2.147 1.00 0.00 O ATOM 0 H GLY A 59 -15.533 -4.009 4.915 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -13.268 -3.675 4.417 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.236 -5.125 3.433 1.00 0.00 H new ATOM 817 N PHE A 60 -12.963 -3.264 1.613 1.00 0.00 N ATOM 818 CA PHE A 60 -13.067 -2.453 0.368 1.00 0.00 C ATOM 819 C PHE A 60 -12.195 -3.089 -0.716 1.00 0.00 C ATOM 820 O PHE A 60 -11.721 -4.198 -0.568 1.00 0.00 O ATOM 821 CB PHE A 60 -12.606 -1.017 0.655 1.00 0.00 C ATOM 822 CG PHE A 60 -11.097 -0.934 0.625 1.00 0.00 C ATOM 823 CD1 PHE A 60 -10.337 -1.580 1.607 1.00 0.00 C ATOM 824 CD2 PHE A 60 -10.459 -0.206 -0.387 1.00 0.00 C ATOM 825 CE1 PHE A 60 -8.939 -1.498 1.576 1.00 0.00 C ATOM 826 CE2 PHE A 60 -9.062 -0.124 -0.418 1.00 0.00 C ATOM 827 CZ PHE A 60 -8.302 -0.770 0.564 1.00 0.00 C ATOM 0 H PHE A 60 -12.052 -3.693 1.776 1.00 0.00 H new ATOM 0 HA PHE A 60 -14.100 -2.426 0.023 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -13.029 -0.337 -0.085 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -12.975 -0.697 1.629 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -10.828 -2.141 2.388 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -11.046 0.293 -1.144 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -8.352 -1.997 2.333 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -8.571 0.437 -1.199 1.00 0.00 H new ATOM 0 HZ PHE A 60 -7.224 -0.707 0.541 1.00 0.00 H new ATOM 837 N ASP A 61 -11.982 -2.408 -1.806 1.00 0.00 N ATOM 838 CA ASP A 61 -11.142 -3.002 -2.884 1.00 0.00 C ATOM 839 C ASP A 61 -10.614 -1.908 -3.816 1.00 0.00 C ATOM 840 O ASP A 61 -11.172 -0.834 -3.917 1.00 0.00 O ATOM 841 CB ASP A 61 -11.982 -3.991 -3.693 1.00 0.00 C ATOM 842 CG ASP A 61 -13.216 -3.276 -4.248 1.00 0.00 C ATOM 843 OD1 ASP A 61 -13.144 -2.073 -4.440 1.00 0.00 O ATOM 844 OD2 ASP A 61 -14.213 -3.943 -4.470 1.00 0.00 O ATOM 0 H ASP A 61 -12.348 -1.475 -1.997 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.296 -3.516 -2.428 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.390 -4.405 -4.509 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.285 -4.827 -3.063 1.00 0.00 H new ATOM 849 N LEU A 62 -9.540 -2.188 -4.505 1.00 0.00 N ATOM 850 CA LEU A 62 -8.963 -1.187 -5.444 1.00 0.00 C ATOM 851 C LEU A 62 -8.852 -1.823 -6.834 1.00 0.00 C ATOM 852 O LEU A 62 -9.511 -2.800 -7.129 1.00 0.00 O ATOM 853 CB LEU A 62 -7.577 -0.763 -4.948 1.00 0.00 C ATOM 854 CG LEU A 62 -7.720 0.007 -3.634 1.00 0.00 C ATOM 855 CD1 LEU A 62 -6.334 0.308 -3.061 1.00 0.00 C ATOM 856 CD2 LEU A 62 -8.459 1.322 -3.890 1.00 0.00 C ATOM 0 H LEU A 62 -9.036 -3.073 -4.456 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.603 -0.307 -5.496 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.947 -1.640 -4.801 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.086 -0.140 -5.696 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.284 -0.596 -2.923 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.439 0.857 -2.125 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.806 -0.627 -2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.769 0.910 -3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.561 1.870 -2.954 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.895 1.923 -4.603 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.448 1.110 -4.296 1.00 0.00 H new ATOM 868 N ALA A 63 -8.028 -1.283 -7.693 1.00 0.00 N ATOM 869 CA ALA A 63 -7.891 -1.869 -9.058 1.00 0.00 C ATOM 870 C ALA A 63 -6.862 -3.003 -9.033 1.00 0.00 C ATOM 871 O ALA A 63 -5.671 -2.774 -9.103 1.00 0.00 O ATOM 872 CB ALA A 63 -7.434 -0.785 -10.035 1.00 0.00 C ATOM 0 H ALA A 63 -7.447 -0.465 -7.509 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.855 -2.265 -9.379 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.334 -1.213 -11.032 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.170 0.019 -10.057 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.472 -0.387 -9.713 1.00 0.00 H new ATOM 878 N GLY A 64 -7.311 -4.226 -8.937 1.00 0.00 N ATOM 879 CA GLY A 64 -6.356 -5.372 -8.910 1.00 0.00 C ATOM 880 C GLY A 64 -6.906 -6.482 -8.013 1.00 0.00 C ATOM 881 O GLY A 64 -7.452 -7.462 -8.484 1.00 0.00 O ATOM 0 H GLY A 64 -8.297 -4.481 -8.876 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.200 -5.751 -9.920 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.386 -5.040 -8.541 1.00 0.00 H new ATOM 885 N VAL A 65 -6.765 -6.340 -6.723 1.00 0.00 N ATOM 886 CA VAL A 65 -7.275 -7.388 -5.793 1.00 0.00 C ATOM 887 C VAL A 65 -8.227 -6.747 -4.781 1.00 0.00 C ATOM 888 O VAL A 65 -8.215 -5.550 -4.577 1.00 0.00 O ATOM 889 CB VAL A 65 -6.094 -8.021 -5.054 1.00 0.00 C ATOM 890 CG1 VAL A 65 -6.609 -8.899 -3.913 1.00 0.00 C ATOM 891 CG2 VAL A 65 -5.285 -8.878 -6.030 1.00 0.00 C ATOM 0 H VAL A 65 -6.318 -5.542 -6.272 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.807 -8.154 -6.356 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.461 -7.234 -4.645 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.765 -9.348 -3.390 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.185 -8.290 -3.217 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.245 -9.686 -4.318 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.443 -9.330 -5.506 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.921 -9.663 -6.439 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.913 -8.253 -6.842 1.00 0.00 H new ATOM 901 N HIS A 66 -9.052 -7.532 -4.143 1.00 0.00 N ATOM 902 CA HIS A 66 -9.999 -6.959 -3.146 1.00 0.00 C ATOM 903 C HIS A 66 -9.239 -6.624 -1.860 1.00 0.00 C ATOM 904 O HIS A 66 -8.028 -6.684 -1.810 1.00 0.00 O ATOM 905 CB HIS A 66 -11.099 -7.975 -2.841 1.00 0.00 C ATOM 906 CG HIS A 66 -11.718 -8.444 -4.128 1.00 0.00 C ATOM 907 ND1 HIS A 66 -12.363 -9.665 -4.236 1.00 0.00 N ATOM 908 CD2 HIS A 66 -11.798 -7.866 -5.371 1.00 0.00 C ATOM 909 CE1 HIS A 66 -12.798 -9.783 -5.503 1.00 0.00 C ATOM 910 NE2 HIS A 66 -12.481 -8.713 -6.237 1.00 0.00 N ATOM 0 H HIS A 66 -9.111 -8.542 -4.269 1.00 0.00 H new ATOM 0 HA HIS A 66 -10.449 -6.052 -3.550 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -10.685 -8.822 -2.294 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -11.859 -7.524 -2.203 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -11.392 -6.901 -5.636 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -13.338 -10.639 -5.881 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -12.694 -8.552 -7.221 1.00 0.00 H new ATOM 918 N TYR A 67 -9.943 -6.271 -0.818 1.00 0.00 N ATOM 919 CA TYR A 67 -9.256 -5.932 0.461 1.00 0.00 C ATOM 920 C TYR A 67 -10.011 -6.554 1.636 1.00 0.00 C ATOM 921 O TYR A 67 -11.166 -6.256 1.873 1.00 0.00 O ATOM 922 CB TYR A 67 -9.212 -4.413 0.638 1.00 0.00 C ATOM 923 CG TYR A 67 -7.778 -3.958 0.752 1.00 0.00 C ATOM 924 CD1 TYR A 67 -7.061 -4.193 1.932 1.00 0.00 C ATOM 925 CD2 TYR A 67 -7.165 -3.301 -0.321 1.00 0.00 C ATOM 926 CE1 TYR A 67 -5.731 -3.770 2.038 1.00 0.00 C ATOM 927 CE2 TYR A 67 -5.835 -2.879 -0.214 1.00 0.00 C ATOM 928 CZ TYR A 67 -5.117 -3.114 0.965 1.00 0.00 C ATOM 929 OH TYR A 67 -3.805 -2.698 1.069 1.00 0.00 O ATOM 0 H TYR A 67 -10.961 -6.203 -0.797 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.240 -6.326 0.432 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -9.693 -3.924 -0.209 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -9.768 -4.124 1.530 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.534 -4.700 2.760 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -7.718 -3.120 -1.231 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.178 -3.950 2.948 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -5.362 -2.372 -1.042 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.647 -2.334 1.965 1.00 0.00 H new ATOM 939 N VAL A 68 -9.363 -7.406 2.382 1.00 0.00 N ATOM 940 CA VAL A 68 -10.036 -8.036 3.550 1.00 0.00 C ATOM 941 C VAL A 68 -9.812 -7.156 4.779 1.00 0.00 C ATOM 942 O VAL A 68 -10.583 -7.169 5.718 1.00 0.00 O ATOM 943 CB VAL A 68 -9.443 -9.424 3.796 1.00 0.00 C ATOM 944 CG1 VAL A 68 -10.120 -10.060 5.012 1.00 0.00 C ATOM 945 CG2 VAL A 68 -9.678 -10.304 2.566 1.00 0.00 C ATOM 0 H VAL A 68 -8.396 -7.693 2.232 1.00 0.00 H new ATOM 0 HA VAL A 68 -11.104 -8.135 3.355 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.373 -9.334 3.981 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.698 -11.049 5.188 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -9.955 -9.434 5.889 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -11.190 -10.150 4.827 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.256 -11.294 2.741 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -10.749 -10.394 2.382 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.197 -9.852 1.698 1.00 0.00 H new ATOM 955 N THR A 69 -8.762 -6.381 4.767 1.00 0.00 N ATOM 956 CA THR A 69 -8.474 -5.482 5.916 1.00 0.00 C ATOM 957 C THR A 69 -8.351 -6.297 7.205 1.00 0.00 C ATOM 958 O THR A 69 -9.336 -6.682 7.804 1.00 0.00 O ATOM 959 CB THR A 69 -9.610 -4.471 6.061 1.00 0.00 C ATOM 960 OG1 THR A 69 -9.720 -3.710 4.867 1.00 0.00 O ATOM 961 CG2 THR A 69 -9.320 -3.538 7.238 1.00 0.00 C ATOM 0 H THR A 69 -8.087 -6.333 4.004 1.00 0.00 H new ATOM 0 HA THR A 69 -7.534 -4.961 5.735 1.00 0.00 H new ATOM 0 HB THR A 69 -10.546 -5.000 6.243 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.743 -2.756 5.088 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.132 -2.818 7.340 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.237 -4.123 8.154 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.384 -3.008 7.060 1.00 0.00 H new ATOM 969 N LEU A 70 -7.148 -6.546 7.643 1.00 0.00 N ATOM 970 CA LEU A 70 -6.959 -7.317 8.903 1.00 0.00 C ATOM 971 C LEU A 70 -6.560 -6.344 10.014 1.00 0.00 C ATOM 972 O LEU A 70 -6.760 -6.601 11.185 1.00 0.00 O ATOM 973 CB LEU A 70 -5.856 -8.361 8.710 1.00 0.00 C ATOM 974 CG LEU A 70 -6.061 -9.509 9.702 1.00 0.00 C ATOM 975 CD1 LEU A 70 -6.046 -10.843 8.951 1.00 0.00 C ATOM 976 CD2 LEU A 70 -4.934 -9.499 10.735 1.00 0.00 C ATOM 0 H LEU A 70 -6.288 -6.249 7.183 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.884 -7.828 9.169 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.875 -8.741 7.689 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.878 -7.905 8.862 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.020 -9.384 10.206 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.192 -11.660 9.658 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.848 -10.854 8.213 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.087 -10.966 8.447 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.080 -10.316 11.441 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.976 -9.623 10.230 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.941 -8.550 11.272 1.00 0.00 H new ATOM 988 N ARG A 71 -6.004 -5.220 9.647 1.00 0.00 N ATOM 989 CA ARG A 71 -5.595 -4.212 10.666 1.00 0.00 C ATOM 990 C ARG A 71 -5.865 -2.812 10.112 1.00 0.00 C ATOM 991 O ARG A 71 -4.955 -2.089 9.759 1.00 0.00 O ATOM 992 CB ARG A 71 -4.099 -4.346 10.973 1.00 0.00 C ATOM 993 CG ARG A 71 -3.628 -5.770 10.672 1.00 0.00 C ATOM 994 CD ARG A 71 -2.213 -5.957 11.221 1.00 0.00 C ATOM 995 NE ARG A 71 -2.290 -6.568 12.578 1.00 0.00 N ATOM 996 CZ ARG A 71 -1.220 -7.069 13.134 1.00 0.00 C ATOM 997 NH1 ARG A 71 -0.075 -7.031 12.505 1.00 0.00 N ATOM 998 NH2 ARG A 71 -1.294 -7.606 14.321 1.00 0.00 N ATOM 0 H ARG A 71 -5.815 -4.956 8.680 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.163 -4.376 11.582 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.532 -3.633 10.375 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.911 -4.106 12.019 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.306 -6.494 11.125 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.641 -5.951 9.597 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.633 -6.595 10.554 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.699 -4.997 11.270 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.181 -6.595 13.074 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.016 -6.609 11.578 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.760 -7.423 12.941 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.187 -7.634 14.813 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.459 -7.998 14.756 1.00 0.00 H new ATOM 1012 N ALA A 72 -7.107 -2.426 10.023 1.00 0.00 N ATOM 1013 CA ALA A 72 -7.428 -1.077 9.480 1.00 0.00 C ATOM 1014 C ALA A 72 -7.351 -0.035 10.599 1.00 0.00 C ATOM 1015 O ALA A 72 -8.268 0.734 10.807 1.00 0.00 O ATOM 1016 CB ALA A 72 -8.839 -1.087 8.890 1.00 0.00 C ATOM 0 H ALA A 72 -7.913 -2.986 10.302 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.708 -0.823 8.702 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -9.074 -0.100 8.493 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.893 -1.823 8.088 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.557 -1.345 9.668 1.00 0.00 H new ATOM 1022 N ASP A 73 -6.261 0.003 11.314 1.00 0.00 N ATOM 1023 CA ASP A 73 -6.125 1.002 12.407 1.00 0.00 C ATOM 1024 C ASP A 73 -5.870 2.379 11.789 1.00 0.00 C ATOM 1025 O ASP A 73 -6.377 2.695 10.732 1.00 0.00 O ATOM 1026 CB ASP A 73 -4.948 0.616 13.306 1.00 0.00 C ATOM 1027 CG ASP A 73 -5.269 0.989 14.755 1.00 0.00 C ATOM 1028 OD1 ASP A 73 -6.100 0.321 15.348 1.00 0.00 O ATOM 1029 OD2 ASP A 73 -4.677 1.935 15.248 1.00 0.00 O ATOM 0 H ASP A 73 -5.459 -0.615 11.188 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.037 1.028 13.003 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.753 -0.454 13.229 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.043 1.129 12.979 1.00 0.00 H new ATOM 1034 N ASP A 74 -5.087 3.197 12.434 1.00 0.00 N ATOM 1035 CA ASP A 74 -4.801 4.546 11.873 1.00 0.00 C ATOM 1036 C ASP A 74 -3.297 4.681 11.633 1.00 0.00 C ATOM 1037 O ASP A 74 -2.727 5.741 11.797 1.00 0.00 O ATOM 1038 CB ASP A 74 -5.258 5.618 12.864 1.00 0.00 C ATOM 1039 CG ASP A 74 -6.161 6.625 12.151 1.00 0.00 C ATOM 1040 OD1 ASP A 74 -5.772 7.094 11.095 1.00 0.00 O ATOM 1041 OD2 ASP A 74 -7.226 6.909 12.674 1.00 0.00 O ATOM 0 H ASP A 74 -4.633 2.990 13.324 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.336 4.673 10.932 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.795 5.156 13.693 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.393 6.127 13.289 1.00 0.00 H new ATOM 1046 N ARG A 75 -2.647 3.613 11.257 1.00 0.00 N ATOM 1047 CA ARG A 75 -1.178 3.688 11.022 1.00 0.00 C ATOM 1048 C ARG A 75 -0.807 2.933 9.742 1.00 0.00 C ATOM 1049 O ARG A 75 -0.023 3.407 8.943 1.00 0.00 O ATOM 1050 CB ARG A 75 -0.448 3.063 12.212 1.00 0.00 C ATOM 1051 CG ARG A 75 -1.122 3.504 13.513 1.00 0.00 C ATOM 1052 CD ARG A 75 -0.942 5.011 13.700 1.00 0.00 C ATOM 1053 NE ARG A 75 -2.117 5.565 14.432 1.00 0.00 N ATOM 1054 CZ ARG A 75 -2.061 6.760 14.956 1.00 0.00 C ATOM 1055 NH1 ARG A 75 -0.978 7.480 14.837 1.00 0.00 N ATOM 1056 NH2 ARG A 75 -3.093 7.238 15.598 1.00 0.00 N ATOM 0 H ARG A 75 -3.068 2.697 11.103 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.885 4.732 10.912 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.464 1.976 12.132 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.599 3.367 12.211 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.183 3.255 13.487 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.689 2.968 14.358 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.026 5.212 14.255 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.841 5.499 12.731 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.967 5.009 14.524 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.172 7.110 14.333 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.938 8.413 15.248 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.941 6.678 15.689 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.051 8.171 16.008 1.00 0.00 H new ATOM 1070 N SER A 76 -1.346 1.761 9.539 1.00 0.00 N ATOM 1071 CA SER A 76 -0.998 0.995 8.306 1.00 0.00 C ATOM 1072 C SER A 76 -2.208 0.196 7.818 1.00 0.00 C ATOM 1073 O SER A 76 -3.172 0.003 8.532 1.00 0.00 O ATOM 1074 CB SER A 76 0.150 0.033 8.614 1.00 0.00 C ATOM 1075 OG SER A 76 1.206 0.746 9.243 1.00 0.00 O ATOM 0 H SER A 76 -2.007 1.303 10.167 1.00 0.00 H new ATOM 0 HA SER A 76 -0.698 1.696 7.527 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.198 -0.771 9.263 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.507 -0.431 7.695 1.00 0.00 H new ATOM 0 HG SER A 76 1.785 0.117 9.722 1.00 0.00 H new ATOM 1081 N ILE A 77 -2.157 -0.277 6.600 1.00 0.00 N ATOM 1082 CA ILE A 77 -3.290 -1.071 6.053 1.00 0.00 C ATOM 1083 C ILE A 77 -2.792 -1.853 4.826 1.00 0.00 C ATOM 1084 O ILE A 77 -2.725 -1.338 3.727 1.00 0.00 O ATOM 1085 CB ILE A 77 -4.456 -0.117 5.694 1.00 0.00 C ATOM 1086 CG1 ILE A 77 -5.591 -0.323 6.701 1.00 0.00 C ATOM 1087 CG2 ILE A 77 -4.998 -0.382 4.281 1.00 0.00 C ATOM 1088 CD1 ILE A 77 -6.297 -1.649 6.409 1.00 0.00 C ATOM 0 H ILE A 77 -1.374 -0.145 5.960 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.660 -1.784 6.789 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.078 0.905 5.727 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -5.195 -0.326 7.716 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -6.301 0.501 6.638 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -5.814 0.308 4.069 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.201 -0.236 3.552 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.364 -1.407 4.218 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -7.105 -1.796 7.125 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.707 -1.628 5.399 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -5.583 -2.468 6.494 1.00 0.00 H new ATOM 1100 N TYR A 78 -2.439 -3.095 5.011 1.00 0.00 N ATOM 1101 CA TYR A 78 -1.951 -3.912 3.861 1.00 0.00 C ATOM 1102 C TYR A 78 -2.949 -5.050 3.621 1.00 0.00 C ATOM 1103 O TYR A 78 -3.334 -5.751 4.536 1.00 0.00 O ATOM 1104 CB TYR A 78 -0.561 -4.501 4.163 1.00 0.00 C ATOM 1105 CG TYR A 78 0.061 -3.834 5.375 1.00 0.00 C ATOM 1106 CD1 TYR A 78 -0.402 -4.160 6.655 1.00 0.00 C ATOM 1107 CD2 TYR A 78 1.114 -2.908 5.225 1.00 0.00 C ATOM 1108 CE1 TYR A 78 0.174 -3.566 7.784 1.00 0.00 C ATOM 1109 CE2 TYR A 78 1.689 -2.320 6.358 1.00 0.00 C ATOM 1110 CZ TYR A 78 1.219 -2.647 7.635 1.00 0.00 C ATOM 1111 OH TYR A 78 1.787 -2.064 8.749 1.00 0.00 O ATOM 0 H TYR A 78 -2.467 -3.581 5.908 1.00 0.00 H new ATOM 0 HA TYR A 78 -1.869 -3.281 2.976 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -0.647 -5.573 4.338 1.00 0.00 H new ATOM 0 HB3 TYR A 78 0.089 -4.370 3.298 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -1.206 -4.872 6.772 1.00 0.00 H new ATOM 0 HD2 TYR A 78 1.476 -2.653 4.240 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -0.188 -3.817 8.770 1.00 0.00 H new ATOM 0 HE2 TYR A 78 2.497 -1.612 6.246 1.00 0.00 H new ATOM 0 HH TYR A 78 2.499 -1.451 8.470 1.00 0.00 H new ATOM 1121 N GLY A 79 -3.388 -5.232 2.403 1.00 0.00 N ATOM 1122 CA GLY A 79 -4.378 -6.315 2.123 1.00 0.00 C ATOM 1123 C GLY A 79 -3.684 -7.528 1.499 1.00 0.00 C ATOM 1124 O GLY A 79 -2.638 -7.417 0.894 1.00 0.00 O ATOM 0 H GLY A 79 -3.106 -4.680 1.593 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.875 -6.609 3.047 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.151 -5.944 1.449 1.00 0.00 H new ATOM 1128 N LYS A 80 -4.267 -8.688 1.641 1.00 0.00 N ATOM 1129 CA LYS A 80 -3.656 -9.916 1.057 1.00 0.00 C ATOM 1130 C LYS A 80 -4.764 -10.921 0.713 1.00 0.00 C ATOM 1131 O LYS A 80 -5.719 -11.070 1.447 1.00 0.00 O ATOM 1132 CB LYS A 80 -2.701 -10.542 2.076 1.00 0.00 C ATOM 1133 CG LYS A 80 -3.505 -11.082 3.260 1.00 0.00 C ATOM 1134 CD LYS A 80 -2.623 -11.108 4.510 1.00 0.00 C ATOM 1135 CE LYS A 80 -3.500 -11.324 5.745 1.00 0.00 C ATOM 1136 NZ LYS A 80 -3.390 -12.741 6.193 1.00 0.00 N ATOM 0 H LYS A 80 -5.144 -8.838 2.139 1.00 0.00 H new ATOM 0 HA LYS A 80 -3.105 -9.656 0.153 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.132 -11.347 1.611 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.981 -9.800 2.420 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.381 -10.457 3.433 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.869 -12.085 3.038 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.884 -11.905 4.431 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.073 -10.171 4.600 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.189 -10.653 6.546 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.538 -11.085 5.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.986 -12.887 7.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.707 -13.372 5.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.400 -12.954 6.430 1.00 0.00 H new ATOM 1150 N LYS A 81 -4.647 -11.618 -0.389 1.00 0.00 N ATOM 1151 CA LYS A 81 -5.706 -12.611 -0.750 1.00 0.00 C ATOM 1152 C LYS A 81 -5.570 -13.034 -2.218 1.00 0.00 C ATOM 1153 O LYS A 81 -5.245 -12.243 -3.078 1.00 0.00 O ATOM 1154 CB LYS A 81 -7.083 -11.980 -0.534 1.00 0.00 C ATOM 1155 CG LYS A 81 -7.718 -12.562 0.729 1.00 0.00 C ATOM 1156 CD LYS A 81 -9.015 -13.284 0.362 1.00 0.00 C ATOM 1157 CE LYS A 81 -8.944 -14.737 0.837 1.00 0.00 C ATOM 1158 NZ LYS A 81 -10.209 -15.092 1.540 1.00 0.00 N ATOM 0 H LYS A 81 -3.873 -11.545 -1.049 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.592 -13.492 -0.118 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.988 -10.898 -0.441 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.722 -12.171 -1.396 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.027 -13.255 1.210 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.922 -11.767 1.446 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -9.866 -12.781 0.822 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -9.170 -13.250 -0.716 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.789 -15.402 -0.013 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -8.094 -14.871 1.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -10.161 -16.079 1.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -10.338 -14.465 2.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -11.012 -14.979 0.888 1.00 0.00 H new ATOM 1172 N GLY A 82 -5.835 -14.283 -2.508 1.00 0.00 N ATOM 1173 CA GLY A 82 -5.741 -14.768 -3.918 1.00 0.00 C ATOM 1174 C GLY A 82 -4.298 -14.669 -4.417 1.00 0.00 C ATOM 1175 O GLY A 82 -4.037 -14.153 -5.486 1.00 0.00 O ATOM 0 H GLY A 82 -6.113 -14.989 -1.827 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.084 -15.801 -3.978 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.396 -14.177 -4.558 1.00 0.00 H new ATOM 1179 N SER A 83 -3.355 -15.156 -3.656 1.00 0.00 N ATOM 1180 CA SER A 83 -1.929 -15.086 -4.095 1.00 0.00 C ATOM 1181 C SER A 83 -1.617 -13.675 -4.599 1.00 0.00 C ATOM 1182 O SER A 83 -0.686 -13.466 -5.352 1.00 0.00 O ATOM 1183 CB SER A 83 -1.693 -16.091 -5.223 1.00 0.00 C ATOM 1184 OG SER A 83 -2.944 -16.611 -5.658 1.00 0.00 O ATOM 0 H SER A 83 -3.509 -15.599 -2.750 1.00 0.00 H new ATOM 0 HA SER A 83 -1.279 -15.323 -3.253 1.00 0.00 H new ATOM 0 HB2 SER A 83 -1.178 -15.609 -6.054 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.050 -16.900 -4.876 1.00 0.00 H new ATOM 0 HG SER A 83 -2.797 -17.254 -6.382 1.00 0.00 H new ATOM 1190 N ALA A 84 -2.387 -12.707 -4.189 1.00 0.00 N ATOM 1191 CA ALA A 84 -2.141 -11.309 -4.637 1.00 0.00 C ATOM 1192 C ALA A 84 -2.634 -10.351 -3.552 1.00 0.00 C ATOM 1193 O ALA A 84 -3.593 -10.626 -2.863 1.00 0.00 O ATOM 1194 CB ALA A 84 -2.901 -11.048 -5.940 1.00 0.00 C ATOM 0 H ALA A 84 -3.181 -12.825 -3.559 1.00 0.00 H new ATOM 0 HA ALA A 84 -1.076 -11.155 -4.810 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.721 -10.024 -6.268 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.556 -11.741 -6.708 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -3.968 -11.193 -5.774 1.00 0.00 H new ATOM 1200 N GLY A 85 -1.994 -9.229 -3.394 1.00 0.00 N ATOM 1201 CA GLY A 85 -2.444 -8.270 -2.349 1.00 0.00 C ATOM 1202 C GLY A 85 -1.713 -6.942 -2.526 1.00 0.00 C ATOM 1203 O GLY A 85 -1.021 -6.728 -3.501 1.00 0.00 O ATOM 0 H GLY A 85 -1.184 -8.935 -3.939 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.521 -8.117 -2.421 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.245 -8.677 -1.357 1.00 0.00 H new ATOM 1207 N VAL A 86 -1.863 -6.048 -1.591 1.00 0.00 N ATOM 1208 CA VAL A 86 -1.178 -4.734 -1.706 1.00 0.00 C ATOM 1209 C VAL A 86 -0.679 -4.287 -0.332 1.00 0.00 C ATOM 1210 O VAL A 86 -1.191 -4.696 0.692 1.00 0.00 O ATOM 1211 CB VAL A 86 -2.157 -3.695 -2.253 1.00 0.00 C ATOM 1212 CG1 VAL A 86 -3.377 -3.610 -1.336 1.00 0.00 C ATOM 1213 CG2 VAL A 86 -1.467 -2.332 -2.308 1.00 0.00 C ATOM 0 H VAL A 86 -2.430 -6.171 -0.752 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.329 -4.830 -2.383 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.476 -3.986 -3.254 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.075 -2.869 -1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.867 -4.582 -1.292 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -3.060 -3.318 -0.335 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.162 -1.588 -2.698 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.151 -2.044 -1.306 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.596 -2.391 -2.960 1.00 0.00 H new ATOM 1223 N ILE A 87 0.310 -3.439 -0.306 1.00 0.00 N ATOM 1224 CA ILE A 87 0.844 -2.944 0.991 1.00 0.00 C ATOM 1225 C ILE A 87 0.715 -1.424 1.010 1.00 0.00 C ATOM 1226 O ILE A 87 1.563 -0.713 0.509 1.00 0.00 O ATOM 1227 CB ILE A 87 2.316 -3.349 1.125 1.00 0.00 C ATOM 1228 CG1 ILE A 87 2.414 -4.873 1.229 1.00 0.00 C ATOM 1229 CG2 ILE A 87 2.916 -2.718 2.383 1.00 0.00 C ATOM 1230 CD1 ILE A 87 3.885 -5.291 1.289 1.00 0.00 C ATOM 0 H ILE A 87 0.774 -3.065 -1.134 1.00 0.00 H new ATOM 0 HA ILE A 87 0.287 -3.374 1.823 1.00 0.00 H new ATOM 0 HB ILE A 87 2.866 -3.001 0.250 1.00 0.00 H new ATOM 0 HG12 ILE A 87 1.890 -5.221 2.119 1.00 0.00 H new ATOM 0 HG13 ILE A 87 1.928 -5.338 0.371 1.00 0.00 H new ATOM 0 HG21 ILE A 87 3.962 -3.010 2.473 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.846 -1.632 2.314 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.367 -3.062 3.260 1.00 0.00 H new ATOM 0 HD11 ILE A 87 3.952 -6.376 1.363 1.00 0.00 H new ATOM 0 HD12 ILE A 87 4.395 -4.957 0.386 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.357 -4.838 2.161 1.00 0.00 H new ATOM 1242 N THR A 88 -0.355 -0.916 1.560 1.00 0.00 N ATOM 1243 CA THR A 88 -0.546 0.558 1.577 1.00 0.00 C ATOM 1244 C THR A 88 -0.351 1.109 2.985 1.00 0.00 C ATOM 1245 O THR A 88 -0.880 0.592 3.949 1.00 0.00 O ATOM 1246 CB THR A 88 -1.959 0.891 1.091 1.00 0.00 C ATOM 1247 OG1 THR A 88 -2.890 0.627 2.132 1.00 0.00 O ATOM 1248 CG2 THR A 88 -2.294 0.032 -0.127 1.00 0.00 C ATOM 0 H THR A 88 -1.101 -1.458 1.996 1.00 0.00 H new ATOM 0 HA THR A 88 0.192 1.015 0.918 1.00 0.00 H new ATOM 0 HB THR A 88 -2.012 1.944 0.815 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.454 0.104 2.836 1.00 0.00 H new ATOM 0 HG21 THR A 88 -3.300 0.269 -0.474 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.579 0.236 -0.924 1.00 0.00 H new ATOM 0 HG23 THR A 88 -2.243 -1.022 0.146 1.00 0.00 H new ATOM 1256 N VAL A 89 0.401 2.165 3.104 1.00 0.00 N ATOM 1257 CA VAL A 89 0.630 2.768 4.449 1.00 0.00 C ATOM 1258 C VAL A 89 0.871 4.273 4.293 1.00 0.00 C ATOM 1259 O VAL A 89 1.275 4.744 3.250 1.00 0.00 O ATOM 1260 CB VAL A 89 1.840 2.090 5.114 1.00 0.00 C ATOM 1261 CG1 VAL A 89 2.577 3.069 6.035 1.00 0.00 C ATOM 1262 CG2 VAL A 89 1.353 0.902 5.940 1.00 0.00 C ATOM 0 H VAL A 89 0.868 2.638 2.330 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.245 2.616 5.081 1.00 0.00 H new ATOM 0 HB VAL A 89 2.526 1.759 4.335 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.429 2.566 6.494 1.00 0.00 H new ATOM 0 HG12 VAL A 89 2.929 3.921 5.453 1.00 0.00 H new ATOM 0 HG13 VAL A 89 1.898 3.417 6.814 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.205 0.415 6.415 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.661 1.251 6.706 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.845 0.190 5.289 1.00 0.00 H new ATOM 1272 N LYS A 90 0.632 5.024 5.331 1.00 0.00 N ATOM 1273 CA LYS A 90 0.851 6.493 5.253 1.00 0.00 C ATOM 1274 C LYS A 90 2.342 6.789 5.425 1.00 0.00 C ATOM 1275 O LYS A 90 3.032 6.131 6.178 1.00 0.00 O ATOM 1276 CB LYS A 90 0.059 7.187 6.364 1.00 0.00 C ATOM 1277 CG LYS A 90 -1.264 7.704 5.796 1.00 0.00 C ATOM 1278 CD LYS A 90 -2.431 7.068 6.555 1.00 0.00 C ATOM 1279 CE LYS A 90 -2.196 7.201 8.060 1.00 0.00 C ATOM 1280 NZ LYS A 90 -3.509 7.264 8.764 1.00 0.00 N ATOM 0 H LYS A 90 0.294 4.683 6.231 1.00 0.00 H new ATOM 0 HA LYS A 90 0.514 6.863 4.285 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.130 6.490 7.181 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.638 8.013 6.777 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.309 8.790 5.882 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.334 7.465 4.735 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.366 7.554 6.278 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.526 6.017 6.283 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.616 6.353 8.425 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.615 8.099 8.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.350 7.354 9.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.047 8.086 8.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -4.047 6.395 8.573 1.00 0.00 H new ATOM 1294 N THR A 91 2.846 7.770 4.731 1.00 0.00 N ATOM 1295 CA THR A 91 4.291 8.100 4.853 1.00 0.00 C ATOM 1296 C THR A 91 4.482 9.615 4.681 1.00 0.00 C ATOM 1297 O THR A 91 3.743 10.402 5.237 1.00 0.00 O ATOM 1298 CB THR A 91 5.075 7.337 3.782 1.00 0.00 C ATOM 1299 OG1 THR A 91 4.565 7.670 2.497 1.00 0.00 O ATOM 1300 CG2 THR A 91 4.932 5.832 4.018 1.00 0.00 C ATOM 0 H THR A 91 2.319 8.357 4.085 1.00 0.00 H new ATOM 0 HA THR A 91 4.660 7.808 5.836 1.00 0.00 H new ATOM 0 HB THR A 91 6.129 7.611 3.836 1.00 0.00 H new ATOM 0 HG1 THR A 91 3.664 7.298 2.396 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.490 5.289 3.255 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.324 5.579 5.003 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.880 5.554 3.964 1.00 0.00 H new ATOM 1308 N SER A 92 5.464 10.033 3.924 1.00 0.00 N ATOM 1309 CA SER A 92 5.687 11.493 3.738 1.00 0.00 C ATOM 1310 C SER A 92 4.641 12.063 2.776 1.00 0.00 C ATOM 1311 O SER A 92 4.905 12.265 1.607 1.00 0.00 O ATOM 1312 CB SER A 92 7.084 11.721 3.160 1.00 0.00 C ATOM 1313 OG SER A 92 7.860 12.466 4.088 1.00 0.00 O ATOM 0 H SER A 92 6.118 9.426 3.429 1.00 0.00 H new ATOM 0 HA SER A 92 5.599 11.995 4.701 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.564 10.765 2.952 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.015 12.257 2.213 1.00 0.00 H new ATOM 0 HG SER A 92 8.757 12.612 3.721 1.00 0.00 H new ATOM 1319 N LYS A 93 3.459 12.331 3.258 1.00 0.00 N ATOM 1320 CA LYS A 93 2.402 12.895 2.371 1.00 0.00 C ATOM 1321 C LYS A 93 2.104 11.915 1.233 1.00 0.00 C ATOM 1322 O LYS A 93 1.465 12.260 0.260 1.00 0.00 O ATOM 1323 CB LYS A 93 2.887 14.221 1.779 1.00 0.00 C ATOM 1324 CG LYS A 93 2.907 15.297 2.866 1.00 0.00 C ATOM 1325 CD LYS A 93 3.239 16.653 2.237 1.00 0.00 C ATOM 1326 CE LYS A 93 4.109 17.463 3.199 1.00 0.00 C ATOM 1327 NZ LYS A 93 3.315 18.596 3.754 1.00 0.00 N ATOM 0 H LYS A 93 3.179 12.184 4.228 1.00 0.00 H new ATOM 0 HA LYS A 93 1.496 13.061 2.954 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.885 14.098 1.357 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.232 14.527 0.963 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.939 15.343 3.365 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.646 15.046 3.627 1.00 0.00 H new ATOM 0 HD2 LYS A 93 3.761 16.509 1.291 1.00 0.00 H new ATOM 0 HD3 LYS A 93 2.321 17.197 2.014 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.467 16.825 4.007 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.989 17.842 2.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.907 19.147 4.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.995 19.209 2.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.489 18.224 4.264 1.00 0.00 H new ATOM 1341 N SER A 94 2.566 10.698 1.339 1.00 0.00 N ATOM 1342 CA SER A 94 2.307 9.712 0.250 1.00 0.00 C ATOM 1343 C SER A 94 1.945 8.351 0.852 1.00 0.00 C ATOM 1344 O SER A 94 2.152 8.105 2.024 1.00 0.00 O ATOM 1345 CB SER A 94 3.562 9.570 -0.610 1.00 0.00 C ATOM 1346 OG SER A 94 4.712 9.568 0.227 1.00 0.00 O ATOM 0 H SER A 94 3.108 10.345 2.128 1.00 0.00 H new ATOM 0 HA SER A 94 1.477 10.063 -0.363 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.518 8.647 -1.187 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.621 10.391 -1.325 1.00 0.00 H new ATOM 0 HG SER A 94 4.588 8.920 0.951 1.00 0.00 H new ATOM 1352 N ILE A 95 1.408 7.465 0.054 1.00 0.00 N ATOM 1353 CA ILE A 95 1.032 6.119 0.576 1.00 0.00 C ATOM 1354 C ILE A 95 1.628 5.040 -0.324 1.00 0.00 C ATOM 1355 O ILE A 95 1.240 4.888 -1.464 1.00 0.00 O ATOM 1356 CB ILE A 95 -0.492 5.970 0.577 1.00 0.00 C ATOM 1357 CG1 ILE A 95 -1.141 7.340 0.765 1.00 0.00 C ATOM 1358 CG2 ILE A 95 -0.915 5.047 1.721 1.00 0.00 C ATOM 1359 CD1 ILE A 95 -2.654 7.224 0.562 1.00 0.00 C ATOM 0 H ILE A 95 1.214 7.616 -0.936 1.00 0.00 H new ATOM 0 HA ILE A 95 1.413 6.013 1.592 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.813 5.543 -0.373 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.926 7.721 1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.722 8.053 0.054 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -2.000 4.941 1.721 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.455 4.068 1.588 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.592 5.473 2.671 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -3.115 8.202 0.697 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.859 6.862 -0.445 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -3.066 6.525 1.290 1.00 0.00 H new ATOM 1371 N LEU A 96 2.561 4.279 0.179 1.00 0.00 N ATOM 1372 CA LEU A 96 3.160 3.204 -0.658 1.00 0.00 C ATOM 1373 C LEU A 96 2.061 2.236 -1.074 1.00 0.00 C ATOM 1374 O LEU A 96 0.990 2.224 -0.500 1.00 0.00 O ATOM 1375 CB LEU A 96 4.208 2.442 0.149 1.00 0.00 C ATOM 1376 CG LEU A 96 3.537 1.754 1.339 1.00 0.00 C ATOM 1377 CD1 LEU A 96 4.286 0.464 1.677 1.00 0.00 C ATOM 1378 CD2 LEU A 96 3.569 2.690 2.547 1.00 0.00 C ATOM 0 H LEU A 96 2.932 4.355 1.126 1.00 0.00 H new ATOM 0 HA LEU A 96 3.630 3.647 -1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.700 1.702 -0.482 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.980 3.127 0.500 1.00 0.00 H new ATOM 0 HG LEU A 96 2.504 1.516 1.085 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.806 -0.024 2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.267 -0.204 0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.319 0.699 1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.092 2.203 3.397 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.603 2.926 2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.035 3.610 2.309 1.00 0.00 H new ATOM 1390 N VAL A 97 2.318 1.417 -2.054 1.00 0.00 N ATOM 1391 CA VAL A 97 1.288 0.440 -2.494 1.00 0.00 C ATOM 1392 C VAL A 97 1.974 -0.804 -3.066 1.00 0.00 C ATOM 1393 O VAL A 97 1.748 -1.184 -4.198 1.00 0.00 O ATOM 1394 CB VAL A 97 0.396 1.081 -3.560 1.00 0.00 C ATOM 1395 CG1 VAL A 97 -0.563 0.031 -4.124 1.00 0.00 C ATOM 1396 CG2 VAL A 97 -0.411 2.215 -2.925 1.00 0.00 C ATOM 0 H VAL A 97 3.198 1.383 -2.569 1.00 0.00 H new ATOM 0 HA VAL A 97 0.673 0.150 -1.642 1.00 0.00 H new ATOM 0 HB VAL A 97 1.016 1.475 -4.365 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.198 0.488 -4.883 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.009 -0.782 -4.571 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.185 -0.363 -3.320 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.048 2.675 -3.680 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.030 1.815 -2.122 1.00 0.00 H new ATOM 0 HG23 VAL A 97 0.270 2.964 -2.520 1.00 0.00 H new ATOM 1406 N GLY A 98 2.807 -1.447 -2.291 1.00 0.00 N ATOM 1407 CA GLY A 98 3.496 -2.671 -2.796 1.00 0.00 C ATOM 1408 C GLY A 98 2.455 -3.597 -3.421 1.00 0.00 C ATOM 1409 O GLY A 98 1.575 -4.094 -2.752 1.00 0.00 O ATOM 0 H GLY A 98 3.039 -1.179 -1.335 1.00 0.00 H new ATOM 0 HA2 GLY A 98 4.253 -2.402 -3.533 1.00 0.00 H new ATOM 0 HA3 GLY A 98 4.011 -3.178 -1.980 1.00 0.00 H new ATOM 1413 N VAL A 99 2.534 -3.822 -4.701 1.00 0.00 N ATOM 1414 CA VAL A 99 1.529 -4.702 -5.357 1.00 0.00 C ATOM 1415 C VAL A 99 2.174 -6.044 -5.721 1.00 0.00 C ATOM 1416 O VAL A 99 3.328 -6.113 -6.103 1.00 0.00 O ATOM 1417 CB VAL A 99 0.995 -4.018 -6.625 1.00 0.00 C ATOM 1418 CG1 VAL A 99 -0.478 -4.382 -6.822 1.00 0.00 C ATOM 1419 CG2 VAL A 99 1.115 -2.495 -6.491 1.00 0.00 C ATOM 0 H VAL A 99 3.248 -3.437 -5.320 1.00 0.00 H new ATOM 0 HA VAL A 99 0.702 -4.880 -4.670 1.00 0.00 H new ATOM 0 HB VAL A 99 1.581 -4.356 -7.480 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.856 -3.896 -7.722 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.575 -5.463 -6.925 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.054 -4.047 -5.960 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.734 -2.019 -7.395 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.535 -2.159 -5.632 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.161 -2.223 -6.351 1.00 0.00 H new ATOM 1429 N TYR A 100 1.427 -7.111 -5.605 1.00 0.00 N ATOM 1430 CA TYR A 100 1.970 -8.460 -5.945 1.00 0.00 C ATOM 1431 C TYR A 100 0.862 -9.281 -6.605 1.00 0.00 C ATOM 1432 O TYR A 100 -0.309 -9.040 -6.386 1.00 0.00 O ATOM 1433 CB TYR A 100 2.464 -9.171 -4.679 1.00 0.00 C ATOM 1434 CG TYR A 100 1.847 -8.553 -3.445 1.00 0.00 C ATOM 1435 CD1 TYR A 100 2.257 -7.284 -3.018 1.00 0.00 C ATOM 1436 CD2 TYR A 100 0.873 -9.254 -2.725 1.00 0.00 C ATOM 1437 CE1 TYR A 100 1.691 -6.717 -1.871 1.00 0.00 C ATOM 1438 CE2 TYR A 100 0.308 -8.687 -1.577 1.00 0.00 C ATOM 1439 CZ TYR A 100 0.717 -7.418 -1.151 1.00 0.00 C ATOM 1440 OH TYR A 100 0.160 -6.858 -0.020 1.00 0.00 O ATOM 0 H TYR A 100 0.458 -7.106 -5.287 1.00 0.00 H new ATOM 0 HA TYR A 100 2.813 -8.353 -6.628 1.00 0.00 H new ATOM 0 HB2 TYR A 100 2.210 -10.230 -4.728 1.00 0.00 H new ATOM 0 HB3 TYR A 100 3.550 -9.106 -4.620 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.009 -6.744 -3.573 1.00 0.00 H new ATOM 0 HD2 TYR A 100 0.557 -10.233 -3.055 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.006 -5.738 -1.541 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -0.443 -9.228 -1.020 1.00 0.00 H new ATOM 0 HH TYR A 100 -0.686 -7.308 0.185 1.00 0.00 H new ATOM 1450 N ASN A 101 1.207 -10.233 -7.434 1.00 0.00 N ATOM 1451 CA ASN A 101 0.138 -11.024 -8.112 1.00 0.00 C ATOM 1452 C ASN A 101 0.608 -12.446 -8.442 1.00 0.00 C ATOM 1453 O ASN A 101 -0.088 -13.188 -9.107 1.00 0.00 O ATOM 1454 CB ASN A 101 -0.230 -10.323 -9.415 1.00 0.00 C ATOM 1455 CG ASN A 101 -1.537 -9.547 -9.235 1.00 0.00 C ATOM 1456 OD1 ASN A 101 -2.379 -9.927 -8.447 1.00 0.00 O ATOM 1457 ND2 ASN A 101 -1.739 -8.468 -9.939 1.00 0.00 N ATOM 0 H ASN A 101 2.165 -10.493 -7.668 1.00 0.00 H new ATOM 0 HA ASN A 101 -0.716 -11.092 -7.439 1.00 0.00 H new ATOM 0 HB2 ASN A 101 0.569 -9.644 -9.711 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -0.339 -11.056 -10.215 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -2.606 -7.942 -9.828 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -1.030 -8.150 -10.600 1.00 0.00 H new ATOM 1464 N GLU A 102 1.769 -12.840 -8.008 1.00 0.00 N ATOM 1465 CA GLU A 102 2.240 -14.214 -8.336 1.00 0.00 C ATOM 1466 C GLU A 102 2.025 -15.135 -7.137 1.00 0.00 C ATOM 1467 O GLU A 102 1.092 -15.913 -7.098 1.00 0.00 O ATOM 1468 CB GLU A 102 3.729 -14.180 -8.686 1.00 0.00 C ATOM 1469 CG GLU A 102 3.952 -13.255 -9.885 1.00 0.00 C ATOM 1470 CD GLU A 102 4.440 -14.078 -11.079 1.00 0.00 C ATOM 1471 OE1 GLU A 102 3.857 -15.118 -11.334 1.00 0.00 O ATOM 1472 OE2 GLU A 102 5.389 -13.653 -11.717 1.00 0.00 O ATOM 0 H GLU A 102 2.408 -12.278 -7.446 1.00 0.00 H new ATOM 0 HA GLU A 102 1.674 -14.589 -9.188 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.306 -13.829 -7.831 1.00 0.00 H new ATOM 0 HB3 GLU A 102 4.082 -15.185 -8.918 1.00 0.00 H new ATOM 0 HG2 GLU A 102 3.025 -12.741 -10.139 1.00 0.00 H new ATOM 0 HG3 GLU A 102 4.684 -12.487 -9.635 1.00 0.00 H new ATOM 1479 N LYS A 103 2.881 -15.053 -6.161 1.00 0.00 N ATOM 1480 CA LYS A 103 2.738 -15.927 -4.960 1.00 0.00 C ATOM 1481 C LYS A 103 3.415 -15.257 -3.766 1.00 0.00 C ATOM 1482 O LYS A 103 3.915 -15.915 -2.876 1.00 0.00 O ATOM 1483 CB LYS A 103 3.413 -17.280 -5.220 1.00 0.00 C ATOM 1484 CG LYS A 103 2.543 -18.143 -6.139 1.00 0.00 C ATOM 1485 CD LYS A 103 1.253 -18.539 -5.415 1.00 0.00 C ATOM 1486 CE LYS A 103 0.236 -19.058 -6.432 1.00 0.00 C ATOM 1487 NZ LYS A 103 -0.070 -20.488 -6.143 1.00 0.00 N ATOM 0 H LYS A 103 3.678 -14.417 -6.140 1.00 0.00 H new ATOM 0 HA LYS A 103 1.679 -16.081 -4.752 1.00 0.00 H new ATOM 0 HB2 LYS A 103 4.391 -17.124 -5.676 1.00 0.00 H new ATOM 0 HB3 LYS A 103 3.580 -17.798 -4.275 1.00 0.00 H new ATOM 0 HG2 LYS A 103 2.305 -17.594 -7.050 1.00 0.00 H new ATOM 0 HG3 LYS A 103 3.091 -19.036 -6.439 1.00 0.00 H new ATOM 0 HD2 LYS A 103 1.462 -19.307 -4.670 1.00 0.00 H new ATOM 0 HD3 LYS A 103 0.844 -17.681 -4.882 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -0.676 -18.463 -6.386 1.00 0.00 H new ATOM 0 HE3 LYS A 103 0.632 -18.957 -7.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -0.762 -20.842 -6.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 0.803 -21.050 -6.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -0.465 -20.572 -5.185 1.00 0.00 H new ATOM 1501 N ILE A 104 3.442 -13.955 -3.741 1.00 0.00 N ATOM 1502 CA ILE A 104 4.094 -13.248 -2.609 1.00 0.00 C ATOM 1503 C ILE A 104 3.360 -13.576 -1.306 1.00 0.00 C ATOM 1504 O ILE A 104 2.170 -13.820 -1.296 1.00 0.00 O ATOM 1505 CB ILE A 104 4.043 -11.743 -2.866 1.00 0.00 C ATOM 1506 CG1 ILE A 104 4.344 -11.444 -4.345 1.00 0.00 C ATOM 1507 CG2 ILE A 104 5.071 -11.035 -1.983 1.00 0.00 C ATOM 1508 CD1 ILE A 104 5.387 -12.418 -4.899 1.00 0.00 C ATOM 0 H ILE A 104 3.040 -13.350 -4.457 1.00 0.00 H new ATOM 0 HA ILE A 104 5.132 -13.570 -2.523 1.00 0.00 H new ATOM 0 HB ILE A 104 3.044 -11.380 -2.627 1.00 0.00 H new ATOM 0 HG12 ILE A 104 3.426 -11.517 -4.929 1.00 0.00 H new ATOM 0 HG13 ILE A 104 4.706 -10.421 -4.447 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.032 -9.962 -2.169 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.846 -11.230 -0.935 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.069 -11.408 -2.216 1.00 0.00 H new ATOM 0 HD11 ILE A 104 5.582 -12.185 -5.946 1.00 0.00 H new ATOM 0 HD12 ILE A 104 6.311 -12.325 -4.328 1.00 0.00 H new ATOM 0 HD13 ILE A 104 5.012 -13.438 -4.818 1.00 0.00 H new ATOM 1520 N GLN A 105 4.064 -13.588 -0.207 1.00 0.00 N ATOM 1521 CA GLN A 105 3.411 -13.902 1.096 1.00 0.00 C ATOM 1522 C GLN A 105 3.278 -12.616 1.922 1.00 0.00 C ATOM 1523 O GLN A 105 4.164 -11.787 1.915 1.00 0.00 O ATOM 1524 CB GLN A 105 4.269 -14.912 1.860 1.00 0.00 C ATOM 1525 CG GLN A 105 3.741 -16.327 1.611 1.00 0.00 C ATOM 1526 CD GLN A 105 4.300 -16.857 0.290 1.00 0.00 C ATOM 1527 OE1 GLN A 105 4.681 -16.091 -0.573 1.00 0.00 O ATOM 1528 NE2 GLN A 105 4.364 -18.144 0.094 1.00 0.00 N ATOM 0 H GLN A 105 5.064 -13.394 -0.155 1.00 0.00 H new ATOM 0 HA GLN A 105 2.422 -14.323 0.918 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.308 -14.839 1.538 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.249 -14.688 2.927 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.032 -16.984 2.431 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.651 -16.319 1.580 1.00 0.00 H new ATOM 0 HE21 GLN A 105 4.044 -18.787 0.819 1.00 0.00 H new ATOM 0 HE22 GLN A 105 4.734 -18.508 -0.784 1.00 0.00 H new ATOM 1537 N PRO A 106 2.170 -12.488 2.612 1.00 0.00 N ATOM 1538 CA PRO A 106 1.902 -11.305 3.451 1.00 0.00 C ATOM 1539 C PRO A 106 2.944 -11.196 4.569 1.00 0.00 C ATOM 1540 O PRO A 106 3.224 -10.124 5.067 1.00 0.00 O ATOM 1541 CB PRO A 106 0.506 -11.549 4.040 1.00 0.00 C ATOM 1542 CG PRO A 106 0.013 -12.926 3.529 1.00 0.00 C ATOM 1543 CD PRO A 106 1.103 -13.503 2.612 1.00 0.00 C ATOM 0 HA PRO A 106 1.952 -10.376 2.883 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.543 -11.536 5.129 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -0.181 -10.760 3.735 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -0.178 -13.598 4.366 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -0.926 -12.818 2.986 1.00 0.00 H new ATOM 0 HD2 PRO A 106 1.468 -14.460 2.985 1.00 0.00 H new ATOM 0 HD3 PRO A 106 0.722 -13.677 1.606 1.00 0.00 H new ATOM 1551 N GLY A 107 3.518 -12.299 4.969 1.00 0.00 N ATOM 1552 CA GLY A 107 4.538 -12.255 6.056 1.00 0.00 C ATOM 1553 C GLY A 107 5.938 -12.192 5.444 1.00 0.00 C ATOM 1554 O GLY A 107 6.874 -12.778 5.950 1.00 0.00 O ATOM 0 H GLY A 107 3.325 -13.227 4.591 1.00 0.00 H new ATOM 0 HA2 GLY A 107 4.369 -11.386 6.692 1.00 0.00 H new ATOM 0 HA3 GLY A 107 4.447 -13.137 6.690 1.00 0.00 H new ATOM 1558 N THR A 108 6.089 -11.484 4.358 1.00 0.00 N ATOM 1559 CA THR A 108 7.429 -11.382 3.713 1.00 0.00 C ATOM 1560 C THR A 108 7.618 -9.969 3.154 1.00 0.00 C ATOM 1561 O THR A 108 8.645 -9.350 3.343 1.00 0.00 O ATOM 1562 CB THR A 108 7.528 -12.399 2.574 1.00 0.00 C ATOM 1563 OG1 THR A 108 7.084 -13.669 3.033 1.00 0.00 O ATOM 1564 CG2 THR A 108 8.981 -12.504 2.109 1.00 0.00 C ATOM 0 H THR A 108 5.342 -10.972 3.889 1.00 0.00 H new ATOM 0 HA THR A 108 8.204 -11.589 4.451 1.00 0.00 H new ATOM 0 HB THR A 108 6.903 -12.075 1.742 1.00 0.00 H new ATOM 0 HG1 THR A 108 7.293 -14.351 2.361 1.00 0.00 H new ATOM 0 HG21 THR A 108 9.052 -13.228 1.298 1.00 0.00 H new ATOM 0 HG22 THR A 108 9.322 -11.530 1.757 1.00 0.00 H new ATOM 0 HG23 THR A 108 9.607 -12.828 2.941 1.00 0.00 H new ATOM 1572 N ALA A 109 6.632 -9.454 2.470 1.00 0.00 N ATOM 1573 CA ALA A 109 6.756 -8.082 1.904 1.00 0.00 C ATOM 1574 C ALA A 109 6.320 -7.058 2.953 1.00 0.00 C ATOM 1575 O ALA A 109 6.739 -5.918 2.935 1.00 0.00 O ATOM 1576 CB ALA A 109 5.865 -7.955 0.667 1.00 0.00 C ATOM 0 H ALA A 109 5.747 -9.924 2.279 1.00 0.00 H new ATOM 0 HA ALA A 109 7.793 -7.898 1.623 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.957 -6.950 0.254 1.00 0.00 H new ATOM 0 HB2 ALA A 109 6.175 -8.685 -0.081 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.827 -8.139 0.945 1.00 0.00 H new ATOM 1582 N ALA A 110 5.483 -7.458 3.871 1.00 0.00 N ATOM 1583 CA ALA A 110 5.021 -6.510 4.924 1.00 0.00 C ATOM 1584 C ALA A 110 6.086 -6.412 6.018 1.00 0.00 C ATOM 1585 O ALA A 110 6.147 -5.450 6.757 1.00 0.00 O ATOM 1586 CB ALA A 110 3.715 -7.025 5.530 1.00 0.00 C ATOM 0 H ALA A 110 5.099 -8.401 3.937 1.00 0.00 H new ATOM 0 HA ALA A 110 4.856 -5.526 4.486 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.374 -6.334 6.301 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.957 -7.101 4.750 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.881 -8.008 5.972 1.00 0.00 H new ATOM 1592 N ASN A 111 6.925 -7.406 6.124 1.00 0.00 N ATOM 1593 CA ASN A 111 7.988 -7.380 7.168 1.00 0.00 C ATOM 1594 C ASN A 111 9.079 -6.385 6.764 1.00 0.00 C ATOM 1595 O ASN A 111 9.603 -5.658 7.585 1.00 0.00 O ATOM 1596 CB ASN A 111 8.596 -8.777 7.304 1.00 0.00 C ATOM 1597 CG ASN A 111 8.441 -9.265 8.745 1.00 0.00 C ATOM 1598 OD1 ASN A 111 7.363 -9.645 9.157 1.00 0.00 O ATOM 1599 ND2 ASN A 111 9.480 -9.273 9.534 1.00 0.00 N ATOM 0 H ASN A 111 6.920 -8.236 5.532 1.00 0.00 H new ATOM 0 HA ASN A 111 7.556 -7.074 8.121 1.00 0.00 H new ATOM 0 HB2 ASN A 111 8.102 -9.468 6.620 1.00 0.00 H new ATOM 0 HB3 ASN A 111 9.650 -8.754 7.028 1.00 0.00 H new ATOM 0 HD21 ASN A 111 9.387 -9.598 10.496 1.00 0.00 H new ATOM 0 HD22 ASN A 111 10.385 -8.954 9.189 1.00 0.00 H new ATOM 1606 N VAL A 112 9.425 -6.347 5.508 1.00 0.00 N ATOM 1607 CA VAL A 112 10.482 -5.400 5.055 1.00 0.00 C ATOM 1608 C VAL A 112 9.903 -3.985 4.979 1.00 0.00 C ATOM 1609 O VAL A 112 10.618 -3.006 5.051 1.00 0.00 O ATOM 1610 CB VAL A 112 10.986 -5.820 3.674 1.00 0.00 C ATOM 1611 CG1 VAL A 112 9.827 -5.788 2.676 1.00 0.00 C ATOM 1612 CG2 VAL A 112 12.080 -4.854 3.214 1.00 0.00 C ATOM 0 H VAL A 112 9.022 -6.931 4.775 1.00 0.00 H new ATOM 0 HA VAL A 112 11.310 -5.415 5.764 1.00 0.00 H new ATOM 0 HB VAL A 112 11.392 -6.830 3.728 1.00 0.00 H new ATOM 0 HG11 VAL A 112 10.186 -6.087 1.691 1.00 0.00 H new ATOM 0 HG12 VAL A 112 9.047 -6.476 3.002 1.00 0.00 H new ATOM 0 HG13 VAL A 112 9.421 -4.778 2.622 1.00 0.00 H new ATOM 0 HG21 VAL A 112 12.439 -5.153 2.229 1.00 0.00 H new ATOM 0 HG22 VAL A 112 11.674 -3.844 3.160 1.00 0.00 H new ATOM 0 HG23 VAL A 112 12.907 -4.876 3.924 1.00 0.00 H new ATOM 1622 N VAL A 113 8.610 -3.872 4.835 1.00 0.00 N ATOM 1623 CA VAL A 113 7.982 -2.522 4.754 1.00 0.00 C ATOM 1624 C VAL A 113 7.707 -1.999 6.165 1.00 0.00 C ATOM 1625 O VAL A 113 7.520 -0.816 6.374 1.00 0.00 O ATOM 1626 CB VAL A 113 6.666 -2.625 3.983 1.00 0.00 C ATOM 1627 CG1 VAL A 113 5.937 -1.282 4.037 1.00 0.00 C ATOM 1628 CG2 VAL A 113 6.959 -2.988 2.527 1.00 0.00 C ATOM 0 H VAL A 113 7.961 -4.657 4.770 1.00 0.00 H new ATOM 0 HA VAL A 113 8.656 -1.836 4.240 1.00 0.00 H new ATOM 0 HB VAL A 113 6.040 -3.396 4.432 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.999 -1.355 3.487 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.730 -1.022 5.075 1.00 0.00 H new ATOM 0 HG13 VAL A 113 6.562 -0.510 3.587 1.00 0.00 H new ATOM 0 HG21 VAL A 113 6.022 -3.062 1.975 1.00 0.00 H new ATOM 0 HG22 VAL A 113 7.584 -2.216 2.078 1.00 0.00 H new ATOM 0 HG23 VAL A 113 7.480 -3.945 2.488 1.00 0.00 H new ATOM 1638 N GLU A 114 7.681 -2.872 7.135 1.00 0.00 N ATOM 1639 CA GLU A 114 7.417 -2.427 8.531 1.00 0.00 C ATOM 1640 C GLU A 114 8.699 -1.851 9.137 1.00 0.00 C ATOM 1641 O GLU A 114 8.660 -0.962 9.964 1.00 0.00 O ATOM 1642 CB GLU A 114 6.955 -3.623 9.366 1.00 0.00 C ATOM 1643 CG GLU A 114 5.506 -3.411 9.805 1.00 0.00 C ATOM 1644 CD GLU A 114 4.822 -4.767 9.981 1.00 0.00 C ATOM 1645 OE1 GLU A 114 4.984 -5.358 11.037 1.00 0.00 O ATOM 1646 OE2 GLU A 114 4.146 -5.192 9.059 1.00 0.00 O ATOM 0 H GLU A 114 7.831 -3.874 7.020 1.00 0.00 H new ATOM 0 HA GLU A 114 6.642 -1.661 8.527 1.00 0.00 H new ATOM 0 HB2 GLU A 114 7.039 -4.540 8.784 1.00 0.00 H new ATOM 0 HB3 GLU A 114 7.597 -3.740 10.239 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.476 -2.853 10.741 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.973 -2.817 9.063 1.00 0.00 H new ATOM 1653 N LYS A 115 9.835 -2.353 8.736 1.00 0.00 N ATOM 1654 CA LYS A 115 11.116 -1.835 9.295 1.00 0.00 C ATOM 1655 C LYS A 115 11.544 -0.578 8.535 1.00 0.00 C ATOM 1656 O LYS A 115 11.773 0.462 9.120 1.00 0.00 O ATOM 1657 CB LYS A 115 12.203 -2.903 9.159 1.00 0.00 C ATOM 1658 CG LYS A 115 13.501 -2.385 9.780 1.00 0.00 C ATOM 1659 CD LYS A 115 14.390 -3.567 10.170 1.00 0.00 C ATOM 1660 CE LYS A 115 14.895 -4.264 8.907 1.00 0.00 C ATOM 1661 NZ LYS A 115 15.377 -3.241 7.936 1.00 0.00 N ATOM 0 H LYS A 115 9.932 -3.098 8.046 1.00 0.00 H new ATOM 0 HA LYS A 115 10.973 -1.590 10.347 1.00 0.00 H new ATOM 0 HB2 LYS A 115 11.890 -3.822 9.655 1.00 0.00 H new ATOM 0 HB3 LYS A 115 12.361 -3.146 8.108 1.00 0.00 H new ATOM 0 HG2 LYS A 115 14.024 -1.742 9.072 1.00 0.00 H new ATOM 0 HG3 LYS A 115 13.279 -1.778 10.658 1.00 0.00 H new ATOM 0 HD2 LYS A 115 15.233 -3.220 10.768 1.00 0.00 H new ATOM 0 HD3 LYS A 115 13.829 -4.270 10.786 1.00 0.00 H new ATOM 0 HE2 LYS A 115 15.702 -4.953 9.157 1.00 0.00 H new ATOM 0 HE3 LYS A 115 14.096 -4.857 8.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 16.054 -3.678 7.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 14.569 -2.862 7.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 15.845 -2.467 8.450 1.00 0.00 H new ATOM 1675 N LEU A 116 11.661 -0.665 7.239 1.00 0.00 N ATOM 1676 CA LEU A 116 12.080 0.526 6.450 1.00 0.00 C ATOM 1677 C LEU A 116 11.088 1.667 6.682 1.00 0.00 C ATOM 1678 O LEU A 116 11.442 2.829 6.645 1.00 0.00 O ATOM 1679 CB LEU A 116 12.109 0.172 4.964 1.00 0.00 C ATOM 1680 CG LEU A 116 13.250 0.930 4.287 1.00 0.00 C ATOM 1681 CD1 LEU A 116 14.198 -0.064 3.614 1.00 0.00 C ATOM 1682 CD2 LEU A 116 12.676 1.881 3.235 1.00 0.00 C ATOM 0 H LEU A 116 11.485 -1.508 6.693 1.00 0.00 H new ATOM 0 HA LEU A 116 13.075 0.838 6.768 1.00 0.00 H new ATOM 0 HB2 LEU A 116 12.245 -0.902 4.837 1.00 0.00 H new ATOM 0 HB3 LEU A 116 11.158 0.431 4.498 1.00 0.00 H new ATOM 0 HG LEU A 116 13.799 1.503 5.035 1.00 0.00 H new ATOM 0 HD11 LEU A 116 15.011 0.478 3.132 1.00 0.00 H new ATOM 0 HD12 LEU A 116 14.608 -0.741 4.364 1.00 0.00 H new ATOM 0 HD13 LEU A 116 13.652 -0.639 2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 116 13.489 2.422 2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 116 12.127 1.308 2.488 1.00 0.00 H new ATOM 0 HD23 LEU A 116 12.003 2.591 3.715 1.00 0.00 H new ATOM 1694 N ALA A 117 9.847 1.346 6.923 1.00 0.00 N ATOM 1695 CA ALA A 117 8.837 2.413 7.159 1.00 0.00 C ATOM 1696 C ALA A 117 9.054 3.023 8.545 1.00 0.00 C ATOM 1697 O ALA A 117 8.720 4.164 8.789 1.00 0.00 O ATOM 1698 CB ALA A 117 7.431 1.817 7.080 1.00 0.00 C ATOM 0 H ALA A 117 9.490 0.392 6.967 1.00 0.00 H new ATOM 0 HA ALA A 117 8.945 3.187 6.399 1.00 0.00 H new ATOM 0 HB1 ALA A 117 6.693 2.601 7.253 1.00 0.00 H new ATOM 0 HB2 ALA A 117 7.275 1.383 6.092 1.00 0.00 H new ATOM 0 HB3 ALA A 117 7.321 1.042 7.838 1.00 0.00 H new ATOM 1704 N ASP A 118 9.610 2.273 9.457 1.00 0.00 N ATOM 1705 CA ASP A 118 9.844 2.814 10.826 1.00 0.00 C ATOM 1706 C ASP A 118 10.888 3.931 10.767 1.00 0.00 C ATOM 1707 O ASP A 118 10.910 4.817 11.598 1.00 0.00 O ATOM 1708 CB ASP A 118 10.359 1.696 11.735 1.00 0.00 C ATOM 1709 CG ASP A 118 10.841 2.296 13.058 1.00 0.00 C ATOM 1710 OD1 ASP A 118 11.976 2.742 13.103 1.00 0.00 O ATOM 1711 OD2 ASP A 118 10.068 2.303 14.001 1.00 0.00 O ATOM 0 H ASP A 118 9.912 1.309 9.313 1.00 0.00 H new ATOM 0 HA ASP A 118 8.908 3.209 11.220 1.00 0.00 H new ATOM 0 HB2 ASP A 118 9.568 0.969 11.920 1.00 0.00 H new ATOM 0 HB3 ASP A 118 11.174 1.162 11.247 1.00 0.00 H new ATOM 1716 N TYR A 119 11.756 3.893 9.794 1.00 0.00 N ATOM 1717 CA TYR A 119 12.800 4.952 9.686 1.00 0.00 C ATOM 1718 C TYR A 119 12.212 6.184 8.996 1.00 0.00 C ATOM 1719 O TYR A 119 12.305 7.288 9.495 1.00 0.00 O ATOM 1720 CB TYR A 119 13.981 4.420 8.867 1.00 0.00 C ATOM 1721 CG TYR A 119 15.015 5.508 8.699 1.00 0.00 C ATOM 1722 CD1 TYR A 119 14.766 6.583 7.837 1.00 0.00 C ATOM 1723 CD2 TYR A 119 16.224 5.440 9.402 1.00 0.00 C ATOM 1724 CE1 TYR A 119 15.727 7.591 7.679 1.00 0.00 C ATOM 1725 CE2 TYR A 119 17.184 6.448 9.245 1.00 0.00 C ATOM 1726 CZ TYR A 119 16.935 7.523 8.384 1.00 0.00 C ATOM 1727 OH TYR A 119 17.882 8.516 8.229 1.00 0.00 O ATOM 0 H TYR A 119 11.788 3.176 9.070 1.00 0.00 H new ATOM 0 HA TYR A 119 13.143 5.227 10.683 1.00 0.00 H new ATOM 0 HB2 TYR A 119 14.424 3.558 9.367 1.00 0.00 H new ATOM 0 HB3 TYR A 119 13.635 4.080 7.891 1.00 0.00 H new ATOM 0 HD1 TYR A 119 13.834 6.635 7.294 1.00 0.00 H new ATOM 0 HD2 TYR A 119 16.417 4.610 10.066 1.00 0.00 H new ATOM 0 HE1 TYR A 119 15.536 8.420 7.014 1.00 0.00 H new ATOM 0 HE2 TYR A 119 18.116 6.396 9.788 1.00 0.00 H new ATOM 0 HH TYR A 119 18.660 8.316 8.790 1.00 0.00 H new ATOM 1737 N LEU A 120 11.613 6.008 7.851 1.00 0.00 N ATOM 1738 CA LEU A 120 11.026 7.166 7.127 1.00 0.00 C ATOM 1739 C LEU A 120 9.884 7.777 7.954 1.00 0.00 C ATOM 1740 O LEU A 120 9.564 8.942 7.824 1.00 0.00 O ATOM 1741 CB LEU A 120 10.518 6.681 5.760 1.00 0.00 C ATOM 1742 CG LEU A 120 9.047 6.254 5.845 1.00 0.00 C ATOM 1743 CD1 LEU A 120 8.154 7.459 5.553 1.00 0.00 C ATOM 1744 CD2 LEU A 120 8.773 5.155 4.813 1.00 0.00 C ATOM 0 H LEU A 120 11.505 5.107 7.385 1.00 0.00 H new ATOM 0 HA LEU A 120 11.779 7.939 6.976 1.00 0.00 H new ATOM 0 HB2 LEU A 120 10.628 7.476 5.023 1.00 0.00 H new ATOM 0 HB3 LEU A 120 11.125 5.843 5.418 1.00 0.00 H new ATOM 0 HG LEU A 120 8.835 5.874 6.844 1.00 0.00 H new ATOM 0 HD11 LEU A 120 7.108 7.159 5.612 1.00 0.00 H new ATOM 0 HD12 LEU A 120 8.349 8.243 6.285 1.00 0.00 H new ATOM 0 HD13 LEU A 120 8.367 7.836 4.553 1.00 0.00 H new ATOM 0 HD21 LEU A 120 7.728 4.852 4.873 1.00 0.00 H new ATOM 0 HD22 LEU A 120 8.984 5.534 3.813 1.00 0.00 H new ATOM 0 HD23 LEU A 120 9.412 4.296 5.017 1.00 0.00 H new ATOM 1756 N ILE A 121 9.271 6.998 8.804 1.00 0.00 N ATOM 1757 CA ILE A 121 8.156 7.530 9.638 1.00 0.00 C ATOM 1758 C ILE A 121 8.725 8.071 10.954 1.00 0.00 C ATOM 1759 O ILE A 121 8.085 8.835 11.651 1.00 0.00 O ATOM 1760 CB ILE A 121 7.155 6.402 9.923 1.00 0.00 C ATOM 1761 CG1 ILE A 121 6.273 6.185 8.689 1.00 0.00 C ATOM 1762 CG2 ILE A 121 6.270 6.772 11.118 1.00 0.00 C ATOM 1763 CD1 ILE A 121 6.246 4.698 8.331 1.00 0.00 C ATOM 0 H ILE A 121 9.495 6.015 8.957 1.00 0.00 H new ATOM 0 HA ILE A 121 7.647 8.336 9.109 1.00 0.00 H new ATOM 0 HB ILE A 121 7.703 5.489 10.154 1.00 0.00 H new ATOM 0 HG12 ILE A 121 5.261 6.540 8.886 1.00 0.00 H new ATOM 0 HG13 ILE A 121 6.657 6.764 7.849 1.00 0.00 H new ATOM 0 HG21 ILE A 121 5.564 5.965 11.311 1.00 0.00 H new ATOM 0 HG22 ILE A 121 6.894 6.927 11.998 1.00 0.00 H new ATOM 0 HG23 ILE A 121 5.722 7.688 10.895 1.00 0.00 H new ATOM 0 HD11 ILE A 121 5.618 4.546 7.453 1.00 0.00 H new ATOM 0 HD12 ILE A 121 7.259 4.357 8.116 1.00 0.00 H new ATOM 0 HD13 ILE A 121 5.842 4.129 9.169 1.00 0.00 H new ATOM 1775 N GLY A 122 9.921 7.680 11.299 1.00 0.00 N ATOM 1776 CA GLY A 122 10.528 8.171 12.568 1.00 0.00 C ATOM 1777 C GLY A 122 10.597 9.698 12.544 1.00 0.00 C ATOM 1778 O GLY A 122 10.769 10.338 13.562 1.00 0.00 O ATOM 0 H GLY A 122 10.504 7.042 10.757 1.00 0.00 H new ATOM 0 HA2 GLY A 122 9.936 7.837 13.420 1.00 0.00 H new ATOM 0 HA3 GLY A 122 11.527 7.753 12.691 1.00 0.00 H new ATOM 1782 N GLN A 123 10.464 10.288 11.388 1.00 0.00 N ATOM 1783 CA GLN A 123 10.523 11.773 11.300 1.00 0.00 C ATOM 1784 C GLN A 123 9.111 12.345 11.438 1.00 0.00 C ATOM 1785 O GLN A 123 8.823 13.094 12.350 1.00 0.00 O ATOM 1786 CB GLN A 123 11.116 12.179 9.950 1.00 0.00 C ATOM 1787 CG GLN A 123 12.505 11.553 9.799 1.00 0.00 C ATOM 1788 CD GLN A 123 13.188 12.115 8.552 1.00 0.00 C ATOM 1789 OE1 GLN A 123 13.293 11.442 7.546 1.00 0.00 O ATOM 1790 NE2 GLN A 123 13.664 13.330 8.576 1.00 0.00 N ATOM 0 H GLN A 123 10.317 9.806 10.501 1.00 0.00 H new ATOM 0 HA GLN A 123 11.151 12.164 12.101 1.00 0.00 H new ATOM 0 HB2 GLN A 123 10.466 11.849 9.140 1.00 0.00 H new ATOM 0 HB3 GLN A 123 11.184 13.265 9.881 1.00 0.00 H new ATOM 0 HG2 GLN A 123 13.108 11.764 10.682 1.00 0.00 H new ATOM 0 HG3 GLN A 123 12.420 10.469 9.722 1.00 0.00 H new ATOM 0 HE21 GLN A 123 13.576 13.896 9.420 1.00 0.00 H new ATOM 0 HE22 GLN A 123 14.124 13.714 7.750 1.00 0.00 H new ATOM 1799 N GLY A 124 8.224 11.995 10.546 1.00 0.00 N ATOM 1800 CA GLY A 124 6.831 12.518 10.636 1.00 0.00 C ATOM 1801 C GLY A 124 6.155 12.431 9.266 1.00 0.00 C ATOM 1802 O GLY A 124 6.429 13.213 8.377 1.00 0.00 O ATOM 0 H GLY A 124 8.404 11.370 9.760 1.00 0.00 H new ATOM 0 HA2 GLY A 124 6.264 11.944 11.369 1.00 0.00 H new ATOM 0 HA3 GLY A 124 6.843 13.552 10.981 1.00 0.00 H new ATOM 1806 N PHE A 125 5.276 11.479 9.084 1.00 0.00 N ATOM 1807 CA PHE A 125 4.590 11.347 7.758 1.00 0.00 C ATOM 1808 C PHE A 125 4.126 12.731 7.300 1.00 0.00 C ATOM 1809 O PHE A 125 4.873 13.377 6.584 1.00 0.00 O ATOM 1810 CB PHE A 125 3.364 10.414 7.836 1.00 0.00 C ATOM 1811 CG PHE A 125 3.163 9.890 9.241 1.00 0.00 C ATOM 1812 CD1 PHE A 125 2.700 10.746 10.249 1.00 0.00 C ATOM 1813 CD2 PHE A 125 3.440 8.550 9.534 1.00 0.00 C ATOM 1814 CE1 PHE A 125 2.515 10.258 11.550 1.00 0.00 C ATOM 1815 CE2 PHE A 125 3.257 8.064 10.834 1.00 0.00 C ATOM 1816 CZ PHE A 125 2.793 8.917 11.842 1.00 0.00 C ATOM 1817 OXT PHE A 125 3.031 13.121 7.672 1.00 0.00 O ATOM 0 H PHE A 125 5.004 10.792 9.787 1.00 0.00 H new ATOM 0 HA PHE A 125 5.301 10.917 7.052 1.00 0.00 H new ATOM 0 HB2 PHE A 125 2.473 10.953 7.515 1.00 0.00 H new ATOM 0 HB3 PHE A 125 3.496 9.578 7.149 1.00 0.00 H new ATOM 0 HD1 PHE A 125 2.486 11.780 10.024 1.00 0.00 H new ATOM 0 HD2 PHE A 125 3.795 7.890 8.756 1.00 0.00 H new ATOM 0 HE1 PHE A 125 2.158 10.917 12.328 1.00 0.00 H new ATOM 0 HE2 PHE A 125 3.474 7.030 11.059 1.00 0.00 H new ATOM 0 HZ PHE A 125 2.649 8.541 12.844 1.00 0.00 H new TER 1827 PHE A 125