USER MOD reduce.3.24.130724 H: found=0, std=0, add=1022, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1025 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 38 CYS SG : rot 73:sc= 0.106 USER MOD Set 1.2: A 79 CYS SG : rot 39:sc= -1.26 USER MOD Set 2.1: A 16 GLN : amide:sc= -1.5 K(o=-3,f=-6.1!) USER MOD Set 2.2: A 20 SER OG : rot 64:sc= -1.52 USER MOD Set 3.1: A 2 SER OG : rot 36:sc= 0 USER MOD Set 3.2: A 4 MET CE :methyl 162:sc= 0 (180deg=-0.4) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HD1:sc= -1.65 K(o=-1.6,f=-0.39) USER MOD Single : A 9 HIS : no HD1:sc= -0.0623 X(o=-0.062,f=-0.3) USER MOD Single : A 10 ASN : amide:sc= -0.421 X(o=-0.42,f=-0.16) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 HIS : no HE2:sc= 0.818 K(o=0.82,f=-4.9!) USER MOD Single : A 37 THR OG1 : rot -167:sc= 1.11 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 148:sc= -0.289 (180deg=-1.59!) USER MOD Single : A 41 MET CE :methyl -113:sc= -4.5! (180deg=-8.65!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -31:sc= 0.714 USER MOD Single : A 51 LYS NZ :NH3+ -111:sc= -0.117 (180deg=-2.74!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.0109 K(o=-0.011,f=-1.1) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -49:sc= 0.208 USER MOD Single : A 70 ASN : amide:sc= -1.03 K(o=-1,f=-6.2!) USER MOD Single : A 71 LYS NZ :NH3+ -148:sc= 1.25 (180deg=-0.425) USER MOD Single : A 72 MET CE :methyl -140:sc= -0.312 (180deg=-1.11) USER MOD Single : A 73 TYR OH : rot -99:sc= 0.0686 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -115:sc= -1.8 (180deg=-7.73!) USER MOD Single : A 87 ASN : amide:sc= -1.1 X(o=-1.1,f=-0.91) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HD1:sc= -2.42 K(o=-2.4,f=-0.62) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 ASN : amide:sc= -0.0347 K(o=-0.035,f=-2.6) USER MOD Single : A 100 ASN : amide:sc= -0.204 K(o=-0.2,f=-2.5) USER MOD Single : A 101 LYS NZ :NH3+ -144:sc= -0.437 (180deg=-1.48!) USER MOD Single : A 103 ASN : amide:sc= -0.566 K(o=-0.57,f=-11!) USER MOD Single : A 106 MET CE :methyl -169:sc= 0 (180deg=-0.146) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 112 MET CE :methyl -171:sc= -1.62 (180deg=-1.76) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.029 USER MOD Single : A 120 TYR OH : rot 180:sc= -0.136 USER MOD Single : A 125 LYS NZ :NH3+ -108:sc= -0.606 (180deg=-1.66!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -9.937 13.337 -14.011 1.00 0.00 N ATOM 2 CA SER A 2 -8.756 12.503 -13.667 1.00 0.00 C ATOM 3 C SER A 2 -9.148 11.342 -12.758 1.00 0.00 C ATOM 4 O SER A 2 -10.149 11.410 -12.044 1.00 0.00 O ATOM 5 CB SER A 2 -7.719 13.389 -12.973 1.00 0.00 C ATOM 6 OG SER A 2 -6.951 14.111 -13.921 1.00 0.00 O ATOM 0 HA SER A 2 -8.338 12.079 -14.580 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.221 14.085 -12.301 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.061 12.773 -12.360 1.00 0.00 H new ATOM 0 HG SER A 2 -7.519 14.361 -14.680 1.00 0.00 H new ATOM 14 N TYR A 3 -8.352 10.279 -12.788 1.00 0.00 N ATOM 15 CA TYR A 3 -8.615 9.103 -11.966 1.00 0.00 C ATOM 16 C TYR A 3 -7.314 8.498 -11.449 1.00 0.00 C ATOM 17 O TYR A 3 -7.215 7.287 -11.254 1.00 0.00 O ATOM 18 CB TYR A 3 -9.393 8.059 -12.769 1.00 0.00 C ATOM 19 CG TYR A 3 -10.894 8.208 -12.663 1.00 0.00 C ATOM 20 CD1 TYR A 3 -11.602 7.592 -11.638 1.00 0.00 C ATOM 21 CD2 TYR A 3 -11.603 8.964 -13.588 1.00 0.00 C ATOM 22 CE1 TYR A 3 -12.975 7.725 -11.539 1.00 0.00 C ATOM 23 CE2 TYR A 3 -12.975 9.104 -13.495 1.00 0.00 C ATOM 24 CZ TYR A 3 -13.655 8.482 -12.469 1.00 0.00 C ATOM 25 OH TYR A 3 -15.021 8.617 -12.373 1.00 0.00 O ATOM 0 H TYR A 3 -7.519 10.207 -13.373 1.00 0.00 H new ATOM 0 HA TYR A 3 -9.214 9.415 -11.110 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -9.103 8.129 -13.817 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -9.110 7.064 -12.426 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -11.071 7.000 -10.907 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -11.073 9.451 -14.394 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -13.511 7.239 -10.738 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -13.511 9.697 -14.221 1.00 0.00 H new ATOM 0 HH TYR A 3 -15.346 9.183 -13.104 1.00 0.00 H new ATOM 35 N MET A 4 -6.317 9.350 -11.229 1.00 0.00 N ATOM 36 CA MET A 4 -5.022 8.900 -10.733 1.00 0.00 C ATOM 37 C MET A 4 -5.156 8.280 -9.346 1.00 0.00 C ATOM 38 O MET A 4 -6.133 8.525 -8.637 1.00 0.00 O ATOM 39 CB MET A 4 -4.035 10.067 -10.689 1.00 0.00 C ATOM 40 CG MET A 4 -3.349 10.334 -12.018 1.00 0.00 C ATOM 41 SD MET A 4 -3.089 12.091 -12.326 1.00 0.00 S ATOM 42 CE MET A 4 -4.254 12.378 -13.656 1.00 0.00 C ATOM 0 H MET A 4 -6.382 10.356 -11.387 1.00 0.00 H new ATOM 0 HA MET A 4 -4.644 8.140 -11.416 1.00 0.00 H new ATOM 0 HB2 MET A 4 -4.563 10.967 -10.375 1.00 0.00 H new ATOM 0 HB3 MET A 4 -3.277 9.862 -9.933 1.00 0.00 H new ATOM 0 HG2 MET A 4 -2.388 9.820 -12.036 1.00 0.00 H new ATOM 0 HG3 MET A 4 -3.951 9.913 -12.824 1.00 0.00 H new ATOM 0 HE1 MET A 4 -4.450 13.447 -13.744 1.00 0.00 H new ATOM 0 HE2 MET A 4 -3.836 12.007 -14.592 1.00 0.00 H new ATOM 0 HE3 MET A 4 -5.186 11.855 -13.442 1.00 0.00 H new ATOM 52 N LEU A 5 -4.169 7.473 -8.965 1.00 0.00 N ATOM 53 CA LEU A 5 -4.171 6.812 -7.666 1.00 0.00 C ATOM 54 C LEU A 5 -4.449 7.808 -6.539 1.00 0.00 C ATOM 55 O LEU A 5 -3.578 8.595 -6.170 1.00 0.00 O ATOM 56 CB LEU A 5 -2.828 6.119 -7.426 1.00 0.00 C ATOM 57 CG LEU A 5 -2.674 4.755 -8.102 1.00 0.00 C ATOM 58 CD1 LEU A 5 -3.721 3.781 -7.586 1.00 0.00 C ATOM 59 CD2 LEU A 5 -2.774 4.897 -9.614 1.00 0.00 C ATOM 0 H LEU A 5 -3.355 7.261 -9.542 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.967 6.068 -7.669 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.031 6.774 -7.777 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.688 5.993 -6.352 1.00 0.00 H new ATOM 0 HG LEU A 5 -1.689 4.358 -7.857 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.595 2.817 -8.079 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.603 3.657 -6.510 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -4.717 4.170 -7.799 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.662 3.918 -10.080 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.746 5.315 -9.877 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.986 5.560 -9.970 1.00 0.00 H new ATOM 71 N PRO A 6 -5.671 7.789 -5.975 1.00 0.00 N ATOM 72 CA PRO A 6 -6.051 8.698 -4.887 1.00 0.00 C ATOM 73 C PRO A 6 -5.158 8.538 -3.662 1.00 0.00 C ATOM 74 O PRO A 6 -4.711 7.435 -3.346 1.00 0.00 O ATOM 75 CB PRO A 6 -7.490 8.288 -4.553 1.00 0.00 C ATOM 76 CG PRO A 6 -7.979 7.566 -5.761 1.00 0.00 C ATOM 77 CD PRO A 6 -6.775 6.887 -6.348 1.00 0.00 C ATOM 0 HA PRO A 6 -5.952 9.743 -5.182 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.523 7.648 -3.671 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.108 9.160 -4.338 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -8.748 6.840 -5.498 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.425 8.257 -6.476 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -6.635 5.887 -5.937 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -6.860 6.779 -7.429 1.00 0.00 H new ATOM 85 N HIS A 7 -4.900 9.646 -2.975 1.00 0.00 N ATOM 86 CA HIS A 7 -4.060 9.629 -1.783 1.00 0.00 C ATOM 87 C HIS A 7 -4.890 9.885 -0.529 1.00 0.00 C ATOM 88 O HIS A 7 -6.115 9.984 -0.593 1.00 0.00 O ATOM 89 CB HIS A 7 -2.954 10.679 -1.900 1.00 0.00 C ATOM 90 CG HIS A 7 -3.468 12.082 -2.008 1.00 0.00 C ATOM 91 ND1 HIS A 7 -2.655 13.163 -2.275 1.00 0.00 N ATOM 92 CD2 HIS A 7 -4.722 12.578 -1.882 1.00 0.00 C ATOM 93 CE1 HIS A 7 -3.386 14.263 -2.309 1.00 0.00 C ATOM 94 NE2 HIS A 7 -4.644 13.935 -2.075 1.00 0.00 N ATOM 0 H HIS A 7 -5.261 10.567 -3.223 1.00 0.00 H new ATOM 0 HA HIS A 7 -3.607 8.641 -1.701 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -2.302 10.606 -1.030 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -2.344 10.456 -2.775 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -5.617 12.012 -1.669 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -3.018 15.261 -2.496 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -5.430 14.584 -2.043 1.00 0.00 H new ATOM 103 N LEU A 8 -4.213 9.992 0.610 1.00 0.00 N ATOM 104 CA LEU A 8 -4.887 10.237 1.879 1.00 0.00 C ATOM 105 C LEU A 8 -5.004 11.732 2.153 1.00 0.00 C ATOM 106 O LEU A 8 -4.638 12.557 1.315 1.00 0.00 O ATOM 107 CB LEU A 8 -4.132 9.551 3.021 1.00 0.00 C ATOM 108 CG LEU A 8 -4.650 8.162 3.397 1.00 0.00 C ATOM 109 CD1 LEU A 8 -6.056 8.253 3.967 1.00 0.00 C ATOM 110 CD2 LEU A 8 -4.619 7.238 2.190 1.00 0.00 C ATOM 0 H LEU A 8 -3.198 9.913 0.680 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.892 9.820 1.816 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.081 9.467 2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.178 10.190 3.903 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.997 7.746 4.164 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.408 7.255 4.229 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.047 8.880 4.859 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.723 8.689 3.223 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.991 6.254 2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.249 7.649 1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.595 7.148 1.827 1.00 0.00 H new ATOM 122 N HIS A 9 -5.516 12.077 3.330 1.00 0.00 N ATOM 123 CA HIS A 9 -5.681 13.475 3.712 1.00 0.00 C ATOM 124 C HIS A 9 -5.524 13.652 5.218 1.00 0.00 C ATOM 125 O HIS A 9 -4.819 14.552 5.677 1.00 0.00 O ATOM 126 CB HIS A 9 -7.051 13.988 3.267 1.00 0.00 C ATOM 127 CG HIS A 9 -7.166 15.481 3.286 1.00 0.00 C ATOM 128 ND1 HIS A 9 -6.080 16.322 3.168 1.00 0.00 N ATOM 129 CD2 HIS A 9 -8.250 16.284 3.412 1.00 0.00 C ATOM 130 CE1 HIS A 9 -6.489 17.577 3.221 1.00 0.00 C ATOM 131 NE2 HIS A 9 -7.801 17.581 3.367 1.00 0.00 N ATOM 0 H HIS A 9 -5.824 11.408 4.036 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.903 14.055 3.215 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -7.254 13.629 2.258 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -7.817 13.564 3.916 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -9.275 15.964 3.526 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -5.858 18.451 3.156 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -8.387 18.413 3.435 1.00 0.00 H new ATOM 140 N ASN A 10 -6.185 12.790 5.984 1.00 0.00 N ATOM 141 CA ASN A 10 -6.119 12.856 7.440 1.00 0.00 C ATOM 142 C ASN A 10 -6.059 11.458 8.047 1.00 0.00 C ATOM 143 O ASN A 10 -6.364 10.468 7.382 1.00 0.00 O ATOM 144 CB ASN A 10 -7.327 13.613 7.994 1.00 0.00 C ATOM 145 CG ASN A 10 -7.388 15.045 7.498 1.00 0.00 C ATOM 146 OD1 ASN A 10 -8.198 15.381 6.633 1.00 0.00 O ATOM 147 ND2 ASN A 10 -6.530 15.898 8.045 1.00 0.00 N ATOM 0 H ASN A 10 -6.772 12.038 5.622 1.00 0.00 H new ATOM 0 HA ASN A 10 -5.209 13.390 7.712 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -8.241 13.093 7.708 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -7.286 13.610 9.083 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -6.525 16.875 7.752 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -5.876 15.576 8.759 1.00 0.00 H new ATOM 154 N GLY A 11 -5.665 11.386 9.313 1.00 0.00 N ATOM 155 CA GLY A 11 -5.571 10.105 9.991 1.00 0.00 C ATOM 156 C GLY A 11 -6.923 9.441 10.161 1.00 0.00 C ATOM 157 O GLY A 11 -7.020 8.214 10.192 1.00 0.00 O ATOM 0 H GLY A 11 -5.409 12.192 9.883 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.914 9.445 9.425 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.114 10.248 10.970 1.00 0.00 H new ATOM 161 N TRP A 12 -7.970 10.253 10.273 1.00 0.00 N ATOM 162 CA TRP A 12 -9.323 9.737 10.441 1.00 0.00 C ATOM 163 C TRP A 12 -9.713 8.843 9.268 1.00 0.00 C ATOM 164 O TRP A 12 -10.386 7.827 9.445 1.00 0.00 O ATOM 165 CB TRP A 12 -10.319 10.891 10.571 1.00 0.00 C ATOM 166 CG TRP A 12 -10.221 11.615 11.878 1.00 0.00 C ATOM 167 CD1 TRP A 12 -9.155 12.331 12.341 1.00 0.00 C ATOM 168 CD2 TRP A 12 -11.230 11.694 12.893 1.00 0.00 C ATOM 169 NE1 TRP A 12 -9.438 12.851 13.581 1.00 0.00 N ATOM 170 CE2 TRP A 12 -10.705 12.473 13.941 1.00 0.00 C ATOM 171 CE3 TRP A 12 -12.524 11.182 13.017 1.00 0.00 C ATOM 172 CZ2 TRP A 12 -11.431 12.752 15.097 1.00 0.00 C ATOM 173 CZ3 TRP A 12 -13.243 11.460 14.164 1.00 0.00 C ATOM 174 CH2 TRP A 12 -12.696 12.238 15.190 1.00 0.00 C ATOM 0 H TRP A 12 -7.907 11.271 10.250 1.00 0.00 H new ATOM 0 HA TRP A 12 -9.348 9.141 11.353 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -10.153 11.598 9.759 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -11.331 10.503 10.454 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -8.225 12.469 11.810 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -8.808 13.425 14.142 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -12.955 10.580 12.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -11.011 13.352 15.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -14.244 11.070 14.270 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -13.284 12.437 16.074 1.00 0.00 H new ATOM 185 N GLN A 13 -9.285 9.228 8.070 1.00 0.00 N ATOM 186 CA GLN A 13 -9.587 8.461 6.868 1.00 0.00 C ATOM 187 C GLN A 13 -8.634 7.278 6.724 1.00 0.00 C ATOM 188 O GLN A 13 -8.993 6.246 6.157 1.00 0.00 O ATOM 189 CB GLN A 13 -9.497 9.356 5.630 1.00 0.00 C ATOM 190 CG GLN A 13 -10.664 10.320 5.492 1.00 0.00 C ATOM 191 CD GLN A 13 -11.698 9.844 4.491 1.00 0.00 C ATOM 192 OE1 GLN A 13 -12.477 8.933 4.771 1.00 0.00 O ATOM 193 NE2 GLN A 13 -11.710 10.460 3.314 1.00 0.00 N ATOM 0 H GLN A 13 -8.728 10.067 7.906 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.603 8.078 6.958 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.568 9.926 5.670 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -9.448 8.728 4.740 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.139 10.452 6.464 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.289 11.297 5.185 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.046 11.211 3.124 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.383 10.182 2.600 1.00 0.00 H new ATOM 202 N VAL A 14 -7.421 7.435 7.242 1.00 0.00 N ATOM 203 CA VAL A 14 -6.418 6.379 7.172 1.00 0.00 C ATOM 204 C VAL A 14 -6.803 5.199 8.058 1.00 0.00 C ATOM 205 O VAL A 14 -6.987 4.081 7.576 1.00 0.00 O ATOM 206 CB VAL A 14 -5.030 6.894 7.598 1.00 0.00 C ATOM 207 CG1 VAL A 14 -3.966 5.837 7.338 1.00 0.00 C ATOM 208 CG2 VAL A 14 -4.692 8.190 6.875 1.00 0.00 C ATOM 0 H VAL A 14 -7.109 8.283 7.715 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.373 6.052 6.133 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.053 7.100 8.668 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.992 6.218 7.645 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.200 4.938 7.908 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.943 5.597 6.275 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.708 8.537 7.190 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.688 8.016 5.799 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.438 8.947 7.117 1.00 0.00 H new ATOM 218 N ASP A 15 -6.923 5.457 9.357 1.00 0.00 N ATOM 219 CA ASP A 15 -7.287 4.418 10.313 1.00 0.00 C ATOM 220 C ASP A 15 -8.636 3.802 9.960 1.00 0.00 C ATOM 221 O ASP A 15 -8.844 2.600 10.122 1.00 0.00 O ATOM 222 CB ASP A 15 -7.332 4.993 11.731 1.00 0.00 C ATOM 223 CG ASP A 15 -6.090 5.793 12.069 1.00 0.00 C ATOM 224 OD1 ASP A 15 -5.003 5.445 11.562 1.00 0.00 O ATOM 225 OD2 ASP A 15 -6.204 6.767 12.842 1.00 0.00 O ATOM 0 H ASP A 15 -6.773 6.377 9.771 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.528 3.637 10.268 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.211 5.630 11.834 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.443 4.179 12.447 1.00 0.00 H new ATOM 230 N GLN A 16 -9.551 4.635 9.473 1.00 0.00 N ATOM 231 CA GLN A 16 -10.881 4.172 9.094 1.00 0.00 C ATOM 232 C GLN A 16 -10.845 3.451 7.749 1.00 0.00 C ATOM 233 O GLN A 16 -11.679 2.589 7.476 1.00 0.00 O ATOM 234 CB GLN A 16 -11.853 5.352 9.027 1.00 0.00 C ATOM 235 CG GLN A 16 -13.274 4.950 8.666 1.00 0.00 C ATOM 236 CD GLN A 16 -13.619 5.262 7.222 1.00 0.00 C ATOM 237 OE1 GLN A 16 -12.749 5.265 6.352 1.00 0.00 O ATOM 238 NE2 GLN A 16 -14.893 5.525 6.963 1.00 0.00 N ATOM 0 H GLN A 16 -9.396 5.633 9.332 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.224 3.469 9.853 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.862 5.860 9.991 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.490 6.070 8.292 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.402 3.882 8.844 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -13.972 5.468 9.323 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -15.580 5.511 7.717 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -15.186 5.741 6.010 1.00 0.00 H new ATOM 247 N ALA A 17 -9.875 3.811 6.915 1.00 0.00 N ATOM 248 CA ALA A 17 -9.733 3.197 5.599 1.00 0.00 C ATOM 249 C ALA A 17 -9.458 1.702 5.718 1.00 0.00 C ATOM 250 O ALA A 17 -10.026 0.897 4.982 1.00 0.00 O ATOM 251 CB ALA A 17 -8.622 3.880 4.816 1.00 0.00 C ATOM 0 H ALA A 17 -9.176 4.524 7.126 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.673 3.325 5.062 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.527 3.412 3.836 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.861 4.936 4.692 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.681 3.782 5.358 1.00 0.00 H new ATOM 257 N ILE A 18 -8.580 1.339 6.648 1.00 0.00 N ATOM 258 CA ILE A 18 -8.230 -0.061 6.861 1.00 0.00 C ATOM 259 C ILE A 18 -9.461 -0.884 7.227 1.00 0.00 C ATOM 260 O ILE A 18 -9.695 -1.952 6.661 1.00 0.00 O ATOM 261 CB ILE A 18 -7.174 -0.213 7.974 1.00 0.00 C ATOM 262 CG1 ILE A 18 -5.976 0.699 7.702 1.00 0.00 C ATOM 263 CG2 ILE A 18 -6.729 -1.665 8.087 1.00 0.00 C ATOM 264 CD1 ILE A 18 -5.854 1.844 8.683 1.00 0.00 C ATOM 0 H ILE A 18 -8.099 1.993 7.265 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.814 -0.430 5.924 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.622 0.084 8.922 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -5.063 0.105 7.734 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -6.059 1.103 6.693 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.983 -1.757 8.877 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.589 -2.292 8.325 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.296 -1.988 7.140 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.983 2.449 8.430 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.751 2.461 8.635 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.740 1.448 9.692 1.00 0.00 H new ATOM 276 N LEU A 19 -10.243 -0.382 8.176 1.00 0.00 N ATOM 277 CA LEU A 19 -11.449 -1.072 8.618 1.00 0.00 C ATOM 278 C LEU A 19 -12.591 -0.873 7.626 1.00 0.00 C ATOM 279 O LEU A 19 -13.505 -1.693 7.546 1.00 0.00 O ATOM 280 CB LEU A 19 -11.869 -0.573 10.002 1.00 0.00 C ATOM 281 CG LEU A 19 -11.180 -1.267 11.177 1.00 0.00 C ATOM 282 CD1 LEU A 19 -11.030 -0.310 12.349 1.00 0.00 C ATOM 283 CD2 LEU A 19 -11.957 -2.505 11.594 1.00 0.00 C ATOM 0 H LEU A 19 -10.063 0.501 8.654 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.225 -2.137 8.674 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.667 0.496 10.062 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -12.947 -0.700 10.106 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.185 -1.577 10.858 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -10.538 -0.822 13.176 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.430 0.547 12.044 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.015 0.031 12.668 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.452 -2.986 12.432 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -12.965 -2.218 11.894 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -12.012 -3.200 10.756 1.00 0.00 H new ATOM 295 N SER A 20 -12.536 0.223 6.872 1.00 0.00 N ATOM 296 CA SER A 20 -13.568 0.529 5.888 1.00 0.00 C ATOM 297 C SER A 20 -13.231 -0.065 4.521 1.00 0.00 C ATOM 298 O SER A 20 -13.641 0.467 3.489 1.00 0.00 O ATOM 299 CB SER A 20 -13.751 2.042 5.766 1.00 0.00 C ATOM 300 OG SER A 20 -14.239 2.597 6.975 1.00 0.00 O ATOM 0 H SER A 20 -11.787 0.913 6.925 1.00 0.00 H new ATOM 0 HA SER A 20 -14.499 0.079 6.233 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.800 2.507 5.507 1.00 0.00 H new ATOM 0 HB3 SER A 20 -14.445 2.263 4.955 1.00 0.00 H new ATOM 0 HG SER A 20 -13.572 2.477 7.683 1.00 0.00 H new ATOM 306 N GLU A 21 -12.487 -1.167 4.515 1.00 0.00 N ATOM 307 CA GLU A 21 -12.104 -1.823 3.269 1.00 0.00 C ATOM 308 C GLU A 21 -13.335 -2.189 2.446 1.00 0.00 C ATOM 309 O GLU A 21 -13.531 -1.678 1.343 1.00 0.00 O ATOM 310 CB GLU A 21 -11.279 -3.078 3.562 1.00 0.00 C ATOM 311 CG GLU A 21 -9.784 -2.820 3.640 1.00 0.00 C ATOM 312 CD GLU A 21 -9.088 -3.722 4.641 1.00 0.00 C ATOM 313 OE1 GLU A 21 -9.583 -4.845 4.872 1.00 0.00 O ATOM 314 OE2 GLU A 21 -8.047 -3.305 5.192 1.00 0.00 O ATOM 0 H GLU A 21 -12.138 -1.624 5.357 1.00 0.00 H new ATOM 0 HA GLU A 21 -11.498 -1.125 2.691 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.614 -3.511 4.505 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.471 -3.818 2.785 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.342 -2.967 2.655 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.612 -1.779 3.914 1.00 0.00 H new ATOM 321 N GLU A 22 -14.163 -3.075 2.991 1.00 0.00 N ATOM 322 CA GLU A 22 -15.378 -3.509 2.310 1.00 0.00 C ATOM 323 C GLU A 22 -15.060 -4.070 0.927 1.00 0.00 C ATOM 324 O GLU A 22 -15.870 -3.974 0.005 1.00 0.00 O ATOM 325 CB GLU A 22 -16.361 -2.344 2.185 1.00 0.00 C ATOM 326 CG GLU A 22 -17.237 -2.153 3.412 1.00 0.00 C ATOM 327 CD GLU A 22 -18.671 -1.811 3.057 1.00 0.00 C ATOM 328 OE1 GLU A 22 -19.371 -2.686 2.506 1.00 0.00 O ATOM 329 OE2 GLU A 22 -19.094 -0.668 3.328 1.00 0.00 O ATOM 0 H GLU A 22 -14.014 -3.507 3.903 1.00 0.00 H new ATOM 0 HA GLU A 22 -15.834 -4.300 2.906 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -15.802 -1.426 2.001 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -16.998 -2.509 1.316 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -17.222 -3.064 4.010 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -16.820 -1.359 4.031 1.00 0.00 H new ATOM 336 N ASP A 23 -13.874 -4.655 0.789 1.00 0.00 N ATOM 337 CA ASP A 23 -13.449 -5.230 -0.481 1.00 0.00 C ATOM 338 C ASP A 23 -12.681 -6.528 -0.261 1.00 0.00 C ATOM 339 O ASP A 23 -13.211 -7.619 -0.469 1.00 0.00 O ATOM 340 CB ASP A 23 -12.584 -4.232 -1.253 1.00 0.00 C ATOM 341 CG ASP A 23 -13.372 -3.024 -1.720 1.00 0.00 C ATOM 342 OD1 ASP A 23 -14.404 -3.213 -2.396 1.00 0.00 O ATOM 343 OD2 ASP A 23 -12.957 -1.888 -1.407 1.00 0.00 O ATOM 0 H ASP A 23 -13.191 -4.743 1.541 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.340 -5.454 -1.067 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.761 -3.902 -0.619 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.142 -4.730 -2.116 1.00 0.00 H new ATOM 348 N ARG A 24 -11.432 -6.398 0.159 1.00 0.00 N ATOM 349 CA ARG A 24 -10.582 -7.555 0.410 1.00 0.00 C ATOM 350 C ARG A 24 -9.245 -7.133 1.001 1.00 0.00 C ATOM 351 O ARG A 24 -8.941 -7.427 2.157 1.00 0.00 O ATOM 352 CB ARG A 24 -10.357 -8.340 -0.885 1.00 0.00 C ATOM 353 CG ARG A 24 -9.770 -9.725 -0.663 1.00 0.00 C ATOM 354 CD ARG A 24 -9.051 -10.230 -1.904 1.00 0.00 C ATOM 355 NE ARG A 24 -9.861 -11.189 -2.653 1.00 0.00 N ATOM 356 CZ ARG A 24 -9.414 -11.877 -3.700 1.00 0.00 C ATOM 357 NH1 ARG A 24 -8.167 -11.718 -4.125 1.00 0.00 N ATOM 358 NH2 ARG A 24 -10.216 -12.729 -4.325 1.00 0.00 N ATOM 0 H ARG A 24 -10.982 -5.500 0.334 1.00 0.00 H new ATOM 0 HA ARG A 24 -11.089 -8.195 1.132 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.307 -8.437 -1.411 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.690 -7.772 -1.533 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.074 -9.697 0.176 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.566 -10.420 -0.394 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.801 -9.386 -2.547 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.111 -10.698 -1.613 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.825 -11.339 -2.355 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.545 -11.065 -3.648 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.830 -12.249 -4.928 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.175 -12.856 -4.003 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.873 -13.257 -5.128 1.00 0.00 H new ATOM 372 N VAL A 25 -8.454 -6.442 0.196 1.00 0.00 N ATOM 373 CA VAL A 25 -7.141 -5.971 0.624 1.00 0.00 C ATOM 374 C VAL A 25 -7.059 -4.449 0.541 1.00 0.00 C ATOM 375 O VAL A 25 -8.020 -3.789 0.144 1.00 0.00 O ATOM 376 CB VAL A 25 -6.005 -6.584 -0.228 1.00 0.00 C ATOM 377 CG1 VAL A 25 -4.763 -6.818 0.620 1.00 0.00 C ATOM 378 CG2 VAL A 25 -6.455 -7.883 -0.887 1.00 0.00 C ATOM 0 H VAL A 25 -8.698 -6.192 -0.763 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.013 -6.291 1.658 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.756 -5.873 -1.016 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.976 -7.250 0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.420 -5.869 1.033 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.002 -7.503 1.434 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.637 -8.293 -1.480 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.741 -8.601 -0.118 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.309 -7.686 -1.535 1.00 0.00 H new ATOM 388 N VAL A 26 -5.907 -3.897 0.909 1.00 0.00 N ATOM 389 CA VAL A 26 -5.704 -2.469 0.869 1.00 0.00 C ATOM 390 C VAL A 26 -4.219 -2.121 0.875 1.00 0.00 C ATOM 391 O VAL A 26 -3.430 -2.736 1.589 1.00 0.00 O ATOM 392 CB VAL A 26 -6.409 -1.763 2.046 1.00 0.00 C ATOM 393 CG1 VAL A 26 -5.841 -2.233 3.376 1.00 0.00 C ATOM 394 CG2 VAL A 26 -6.298 -0.250 1.917 1.00 0.00 C ATOM 0 H VAL A 26 -5.101 -4.428 1.239 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.145 -2.113 -0.062 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.466 -2.029 2.014 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.353 -1.722 4.191 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.986 -3.309 3.474 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.776 -2.006 3.417 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.803 0.225 2.758 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.247 0.039 1.914 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.765 0.071 0.986 1.00 0.00 H new ATOM 404 N VAL A 27 -3.844 -1.132 0.069 1.00 0.00 N ATOM 405 CA VAL A 27 -2.455 -0.704 -0.021 1.00 0.00 C ATOM 406 C VAL A 27 -2.308 0.756 0.399 1.00 0.00 C ATOM 407 O VAL A 27 -3.247 1.544 0.275 1.00 0.00 O ATOM 408 CB VAL A 27 -1.906 -0.882 -1.452 1.00 0.00 C ATOM 409 CG1 VAL A 27 -0.472 -0.381 -1.550 1.00 0.00 C ATOM 410 CG2 VAL A 27 -1.999 -2.338 -1.880 1.00 0.00 C ATOM 0 H VAL A 27 -4.485 -0.613 -0.531 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.878 -1.333 0.657 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.517 -0.285 -2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.108 -0.517 -2.568 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.438 0.677 -1.291 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.158 -0.944 -0.861 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.608 -2.446 -2.892 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.415 -2.956 -1.197 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.041 -2.658 -1.858 1.00 0.00 H new ATOM 420 N ILE A 28 -1.128 1.109 0.896 1.00 0.00 N ATOM 421 CA ILE A 28 -0.864 2.474 1.334 1.00 0.00 C ATOM 422 C ILE A 28 0.571 2.884 1.023 1.00 0.00 C ATOM 423 O ILE A 28 1.518 2.170 1.356 1.00 0.00 O ATOM 424 CB ILE A 28 -1.118 2.639 2.845 1.00 0.00 C ATOM 425 CG1 ILE A 28 -2.484 2.064 3.221 1.00 0.00 C ATOM 426 CG2 ILE A 28 -1.026 4.105 3.241 1.00 0.00 C ATOM 427 CD1 ILE A 28 -2.457 0.577 3.502 1.00 0.00 C ATOM 0 H ILE A 28 -0.340 0.470 1.005 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.550 3.120 0.786 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.351 2.088 3.389 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.859 2.585 4.102 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.187 2.260 2.411 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.208 4.205 4.311 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.032 4.484 3.005 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.773 4.678 2.691 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.460 0.238 3.762 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.113 0.045 2.615 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.779 0.376 4.332 1.00 0.00 H new ATOM 439 N ARG A 29 0.726 4.039 0.384 1.00 0.00 N ATOM 440 CA ARG A 29 2.046 4.545 0.028 1.00 0.00 C ATOM 441 C ARG A 29 2.368 5.817 0.806 1.00 0.00 C ATOM 442 O ARG A 29 1.517 6.692 0.964 1.00 0.00 O ATOM 443 CB ARG A 29 2.122 4.818 -1.475 1.00 0.00 C ATOM 444 CG ARG A 29 3.543 4.928 -2.003 1.00 0.00 C ATOM 445 CD ARG A 29 3.613 4.623 -3.491 1.00 0.00 C ATOM 446 NE ARG A 29 3.293 3.227 -3.782 1.00 0.00 N ATOM 447 CZ ARG A 29 2.078 2.792 -4.118 1.00 0.00 C ATOM 448 NH1 ARG A 29 1.058 3.637 -4.207 1.00 0.00 N ATOM 449 NH2 ARG A 29 1.883 1.504 -4.363 1.00 0.00 N ATOM 0 H ARG A 29 -0.047 4.642 0.102 1.00 0.00 H new ATOM 0 HA ARG A 29 2.782 3.785 0.289 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.606 4.019 -2.007 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.589 5.743 -1.695 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.923 5.933 -1.819 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.188 4.238 -1.459 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.921 5.272 -4.027 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.613 4.850 -3.860 1.00 0.00 H new ATOM 0 HE ARG A 29 4.047 2.542 -3.724 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.200 4.629 -4.018 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.133 3.294 -4.465 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.661 0.848 -4.294 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.955 1.169 -4.620 1.00 0.00 H new ATOM 463 N PHE A 30 3.603 5.913 1.290 1.00 0.00 N ATOM 464 CA PHE A 30 4.036 7.078 2.053 1.00 0.00 C ATOM 465 C PHE A 30 5.096 7.865 1.288 1.00 0.00 C ATOM 466 O PHE A 30 6.049 7.291 0.761 1.00 0.00 O ATOM 467 CB PHE A 30 4.588 6.647 3.412 1.00 0.00 C ATOM 468 CG PHE A 30 3.536 6.538 4.480 1.00 0.00 C ATOM 469 CD1 PHE A 30 2.820 5.364 4.647 1.00 0.00 C ATOM 470 CD2 PHE A 30 3.264 7.610 5.315 1.00 0.00 C ATOM 471 CE1 PHE A 30 1.852 5.261 5.627 1.00 0.00 C ATOM 472 CE2 PHE A 30 2.297 7.512 6.298 1.00 0.00 C ATOM 473 CZ PHE A 30 1.590 6.336 6.454 1.00 0.00 C ATOM 0 H PHE A 30 4.321 5.198 1.167 1.00 0.00 H new ATOM 0 HA PHE A 30 3.171 7.722 2.208 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.086 5.683 3.304 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.345 7.363 3.731 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.021 4.520 4.004 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.814 8.532 5.196 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.300 4.340 5.747 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.095 8.354 6.943 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.834 6.257 7.221 1.00 0.00 H new ATOM 483 N GLY A 31 4.923 9.181 1.231 1.00 0.00 N ATOM 484 CA GLY A 31 5.873 10.024 0.529 1.00 0.00 C ATOM 485 C GLY A 31 5.233 11.281 -0.026 1.00 0.00 C ATOM 486 O GLY A 31 4.703 12.100 0.725 1.00 0.00 O ATOM 0 H GLY A 31 4.142 9.679 1.658 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.680 10.300 1.208 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.323 9.458 -0.287 1.00 0.00 H new ATOM 490 N HIS A 32 5.283 11.435 -1.345 1.00 0.00 N ATOM 491 CA HIS A 32 4.704 12.602 -2.001 1.00 0.00 C ATOM 492 C HIS A 32 4.495 12.340 -3.489 1.00 0.00 C ATOM 493 O HIS A 32 5.221 11.556 -4.100 1.00 0.00 O ATOM 494 CB HIS A 32 5.606 13.822 -1.807 1.00 0.00 C ATOM 495 CG HIS A 32 4.958 15.113 -2.199 1.00 0.00 C ATOM 496 ND1 HIS A 32 3.614 15.365 -2.022 1.00 0.00 N ATOM 497 CD2 HIS A 32 5.478 16.230 -2.762 1.00 0.00 C ATOM 498 CE1 HIS A 32 3.334 16.580 -2.460 1.00 0.00 C ATOM 499 NE2 HIS A 32 4.448 17.125 -2.912 1.00 0.00 N ATOM 0 H HIS A 32 5.718 10.767 -1.981 1.00 0.00 H new ATOM 0 HA HIS A 32 3.734 12.801 -1.545 1.00 0.00 H new ATOM 0 HB2 HIS A 32 5.907 13.879 -0.761 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.515 13.688 -2.393 1.00 0.00 H new ATOM 0 HD1 HIS A 32 2.941 14.715 -1.616 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.510 16.387 -3.041 1.00 0.00 H new ATOM 0 HE1 HIS A 32 2.360 17.047 -2.450 1.00 0.00 H new ATOM 508 N ASP A 33 3.498 13.004 -4.067 1.00 0.00 N ATOM 509 CA ASP A 33 3.194 12.843 -5.484 1.00 0.00 C ATOM 510 C ASP A 33 4.386 13.246 -6.346 1.00 0.00 C ATOM 511 O ASP A 33 4.593 12.701 -7.430 1.00 0.00 O ATOM 512 CB ASP A 33 1.971 13.681 -5.862 1.00 0.00 C ATOM 513 CG ASP A 33 0.811 13.473 -4.908 1.00 0.00 C ATOM 514 OD1 ASP A 33 0.554 12.312 -4.529 1.00 0.00 O ATOM 515 OD2 ASP A 33 0.160 14.474 -4.540 1.00 0.00 O ATOM 0 H ASP A 33 2.888 13.658 -3.576 1.00 0.00 H new ATOM 0 HA ASP A 33 2.976 11.791 -5.666 1.00 0.00 H new ATOM 0 HB2 ASP A 33 2.245 14.736 -5.871 1.00 0.00 H new ATOM 0 HB3 ASP A 33 1.657 13.424 -6.874 1.00 0.00 H new ATOM 520 N TRP A 34 5.167 14.203 -5.856 1.00 0.00 N ATOM 521 CA TRP A 34 6.340 14.678 -6.582 1.00 0.00 C ATOM 522 C TRP A 34 7.440 13.622 -6.592 1.00 0.00 C ATOM 523 O TRP A 34 8.220 13.533 -7.540 1.00 0.00 O ATOM 524 CB TRP A 34 6.864 15.971 -5.954 1.00 0.00 C ATOM 525 CG TRP A 34 7.974 16.603 -6.736 1.00 0.00 C ATOM 526 CD1 TRP A 34 9.249 16.837 -6.307 1.00 0.00 C ATOM 527 CD2 TRP A 34 7.908 17.084 -8.083 1.00 0.00 C ATOM 528 NE1 TRP A 34 9.981 17.434 -7.306 1.00 0.00 N ATOM 529 CE2 TRP A 34 9.180 17.597 -8.406 1.00 0.00 C ATOM 530 CE3 TRP A 34 6.899 17.132 -9.049 1.00 0.00 C ATOM 531 CZ2 TRP A 34 9.467 18.147 -9.652 1.00 0.00 C ATOM 532 CZ3 TRP A 34 7.185 17.680 -10.286 1.00 0.00 C ATOM 533 CH2 TRP A 34 8.459 18.181 -10.578 1.00 0.00 C ATOM 0 H TRP A 34 5.009 14.665 -4.960 1.00 0.00 H new ATOM 0 HA TRP A 34 6.043 14.876 -7.612 1.00 0.00 H new ATOM 0 HB2 TRP A 34 6.042 16.682 -5.864 1.00 0.00 H new ATOM 0 HB3 TRP A 34 7.215 15.760 -4.944 1.00 0.00 H new ATOM 0 HD1 TRP A 34 9.627 16.589 -5.326 1.00 0.00 H new ATOM 0 HE1 TRP A 34 10.961 17.711 -7.239 1.00 0.00 H new ATOM 0 HE3 TRP A 34 5.913 16.748 -8.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 10.449 18.533 -9.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 6.412 17.722 -11.039 1.00 0.00 H new ATOM 0 HH2 TRP A 34 8.651 18.603 -11.554 1.00 0.00 H new ATOM 544 N ASP A 35 7.497 12.824 -5.531 1.00 0.00 N ATOM 545 CA ASP A 35 8.503 11.774 -5.418 1.00 0.00 C ATOM 546 C ASP A 35 8.375 10.774 -6.565 1.00 0.00 C ATOM 547 O ASP A 35 7.270 10.464 -7.008 1.00 0.00 O ATOM 548 CB ASP A 35 8.367 11.052 -4.076 1.00 0.00 C ATOM 549 CG ASP A 35 9.708 10.807 -3.412 1.00 0.00 C ATOM 550 OD1 ASP A 35 10.264 11.760 -2.828 1.00 0.00 O ATOM 551 OD2 ASP A 35 10.202 9.662 -3.477 1.00 0.00 O ATOM 0 H ASP A 35 6.859 12.884 -4.738 1.00 0.00 H new ATOM 0 HA ASP A 35 9.488 12.238 -5.473 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.738 11.643 -3.411 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.861 10.099 -4.229 1.00 0.00 H new ATOM 556 N PRO A 36 9.511 10.251 -7.064 1.00 0.00 N ATOM 557 CA PRO A 36 9.516 9.282 -8.164 1.00 0.00 C ATOM 558 C PRO A 36 9.038 7.903 -7.725 1.00 0.00 C ATOM 559 O PRO A 36 8.362 7.201 -8.477 1.00 0.00 O ATOM 560 CB PRO A 36 10.986 9.232 -8.580 1.00 0.00 C ATOM 561 CG PRO A 36 11.739 9.585 -7.344 1.00 0.00 C ATOM 562 CD PRO A 36 10.875 10.564 -6.596 1.00 0.00 C ATOM 0 HA PRO A 36 8.840 9.572 -8.968 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.262 8.242 -8.943 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.194 9.936 -9.386 1.00 0.00 H new ATOM 0 HG2 PRO A 36 11.936 8.699 -6.741 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.706 10.025 -7.589 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.968 10.438 -5.517 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.150 11.595 -6.821 1.00 0.00 H new ATOM 570 N THR A 37 9.395 7.518 -6.503 1.00 0.00 N ATOM 571 CA THR A 37 9.009 6.228 -5.962 1.00 0.00 C ATOM 572 C THR A 37 7.496 6.063 -5.986 1.00 0.00 C ATOM 573 O THR A 37 6.980 4.978 -6.257 1.00 0.00 O ATOM 574 CB THR A 37 9.530 6.076 -4.532 1.00 0.00 C ATOM 575 OG1 THR A 37 10.900 6.427 -4.457 1.00 0.00 O ATOM 576 CG2 THR A 37 9.384 4.671 -3.988 1.00 0.00 C ATOM 0 H THR A 37 9.954 8.088 -5.869 1.00 0.00 H new ATOM 0 HA THR A 37 9.451 5.451 -6.585 1.00 0.00 H new ATOM 0 HB THR A 37 8.918 6.747 -3.929 1.00 0.00 H new ATOM 0 HG1 THR A 37 11.268 6.126 -3.600 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.773 4.633 -2.970 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.331 4.390 -3.985 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.943 3.978 -4.616 1.00 0.00 H new ATOM 584 N CYS A 38 6.791 7.152 -5.700 1.00 0.00 N ATOM 585 CA CYS A 38 5.334 7.140 -5.687 1.00 0.00 C ATOM 586 C CYS A 38 4.778 7.196 -7.106 1.00 0.00 C ATOM 587 O CYS A 38 3.710 6.652 -7.389 1.00 0.00 O ATOM 588 CB CYS A 38 4.799 8.317 -4.871 1.00 0.00 C ATOM 589 SG CYS A 38 4.929 8.094 -3.082 1.00 0.00 S ATOM 0 H CYS A 38 7.206 8.056 -5.474 1.00 0.00 H new ATOM 0 HA CYS A 38 5.008 6.209 -5.223 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.342 9.219 -5.154 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.753 8.480 -5.131 1.00 0.00 H new ATOM 0 HG CYS A 38 6.173 8.203 -2.720 1.00 0.00 H new ATOM 595 N MET A 39 5.512 7.857 -7.996 1.00 0.00 N ATOM 596 CA MET A 39 5.094 7.985 -9.388 1.00 0.00 C ATOM 597 C MET A 39 5.334 6.686 -10.149 1.00 0.00 C ATOM 598 O MET A 39 4.551 6.313 -11.023 1.00 0.00 O ATOM 599 CB MET A 39 5.848 9.131 -10.064 1.00 0.00 C ATOM 600 CG MET A 39 5.371 10.509 -9.635 1.00 0.00 C ATOM 601 SD MET A 39 5.902 11.810 -10.765 1.00 0.00 S ATOM 602 CE MET A 39 4.418 12.035 -11.742 1.00 0.00 C ATOM 0 H MET A 39 6.399 8.312 -7.778 1.00 0.00 H new ATOM 0 HA MET A 39 4.026 8.202 -9.403 1.00 0.00 H new ATOM 0 HB2 MET A 39 6.911 9.038 -9.840 1.00 0.00 H new ATOM 0 HB3 MET A 39 5.740 9.038 -11.145 1.00 0.00 H new ATOM 0 HG2 MET A 39 4.283 10.509 -9.572 1.00 0.00 H new ATOM 0 HG3 MET A 39 5.748 10.725 -8.635 1.00 0.00 H new ATOM 0 HE1 MET A 39 4.588 12.811 -12.489 1.00 0.00 H new ATOM 0 HE2 MET A 39 4.166 11.100 -12.242 1.00 0.00 H new ATOM 0 HE3 MET A 39 3.595 12.332 -11.091 1.00 0.00 H new ATOM 612 N LYS A 40 6.422 6.001 -9.813 1.00 0.00 N ATOM 613 CA LYS A 40 6.766 4.743 -10.465 1.00 0.00 C ATOM 614 C LYS A 40 5.756 3.658 -10.109 1.00 0.00 C ATOM 615 O LYS A 40 5.192 3.006 -10.988 1.00 0.00 O ATOM 616 CB LYS A 40 8.175 4.303 -10.061 1.00 0.00 C ATOM 617 CG LYS A 40 9.221 4.549 -11.136 1.00 0.00 C ATOM 618 CD LYS A 40 9.791 5.955 -11.048 1.00 0.00 C ATOM 619 CE LYS A 40 11.132 5.969 -10.332 1.00 0.00 C ATOM 620 NZ LYS A 40 12.080 4.975 -10.910 1.00 0.00 N ATOM 0 H LYS A 40 7.081 6.296 -9.093 1.00 0.00 H new ATOM 0 HA LYS A 40 6.741 4.899 -11.544 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.466 4.833 -9.154 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.159 3.241 -9.818 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.027 3.822 -11.034 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.776 4.397 -12.119 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.909 6.364 -12.051 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.089 6.601 -10.521 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.568 6.966 -10.396 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.981 5.754 -9.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.053 5.333 -10.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.997 4.075 -10.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.853 4.822 -11.913 1.00 0.00 H new ATOM 634 N MET A 41 5.533 3.468 -8.815 1.00 0.00 N ATOM 635 CA MET A 41 4.590 2.462 -8.345 1.00 0.00 C ATOM 636 C MET A 41 3.178 2.773 -8.830 1.00 0.00 C ATOM 637 O MET A 41 2.484 1.901 -9.352 1.00 0.00 O ATOM 638 CB MET A 41 4.610 2.387 -6.819 1.00 0.00 C ATOM 639 CG MET A 41 4.450 0.976 -6.277 1.00 0.00 C ATOM 640 SD MET A 41 2.947 0.171 -6.866 1.00 0.00 S ATOM 641 CE MET A 41 3.587 -0.771 -8.248 1.00 0.00 C ATOM 0 H MET A 41 5.992 3.997 -8.073 1.00 0.00 H new ATOM 0 HA MET A 41 4.893 1.498 -8.753 1.00 0.00 H new ATOM 0 HB2 MET A 41 5.550 2.802 -6.455 1.00 0.00 H new ATOM 0 HB3 MET A 41 3.810 3.012 -6.422 1.00 0.00 H new ATOM 0 HG2 MET A 41 5.315 0.379 -6.567 1.00 0.00 H new ATOM 0 HG3 MET A 41 4.437 1.009 -5.188 1.00 0.00 H new ATOM 0 HE1 MET A 41 3.183 -0.372 -9.178 1.00 0.00 H new ATOM 0 HE2 MET A 41 4.675 -0.699 -8.265 1.00 0.00 H new ATOM 0 HE3 MET A 41 3.294 -1.816 -8.143 1.00 0.00 H new ATOM 651 N ASP A 42 2.760 4.020 -8.646 1.00 0.00 N ATOM 652 CA ASP A 42 1.428 4.455 -9.057 1.00 0.00 C ATOM 653 C ASP A 42 1.208 4.246 -10.554 1.00 0.00 C ATOM 654 O ASP A 42 0.185 3.698 -10.969 1.00 0.00 O ATOM 655 CB ASP A 42 1.223 5.929 -8.703 1.00 0.00 C ATOM 656 CG ASP A 42 0.955 6.136 -7.226 1.00 0.00 C ATOM 657 OD1 ASP A 42 1.694 5.558 -6.401 1.00 0.00 O ATOM 658 OD2 ASP A 42 0.006 6.876 -6.893 1.00 0.00 O ATOM 0 H ASP A 42 3.325 4.751 -8.214 1.00 0.00 H new ATOM 0 HA ASP A 42 0.699 3.847 -8.520 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.108 6.496 -8.992 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.388 6.326 -9.280 1.00 0.00 H new ATOM 663 N GLU A 43 2.169 4.686 -11.363 1.00 0.00 N ATOM 664 CA GLU A 43 2.068 4.547 -12.813 1.00 0.00 C ATOM 665 C GLU A 43 1.795 3.096 -13.193 1.00 0.00 C ATOM 666 O GLU A 43 1.133 2.816 -14.193 1.00 0.00 O ATOM 667 CB GLU A 43 3.346 5.054 -13.494 1.00 0.00 C ATOM 668 CG GLU A 43 4.531 4.100 -13.409 1.00 0.00 C ATOM 669 CD GLU A 43 5.103 3.756 -14.771 1.00 0.00 C ATOM 670 OE1 GLU A 43 5.198 4.664 -15.622 1.00 0.00 O ATOM 671 OE2 GLU A 43 5.455 2.577 -14.985 1.00 0.00 O ATOM 0 H GLU A 43 3.023 5.140 -11.040 1.00 0.00 H new ATOM 0 HA GLU A 43 1.232 5.155 -13.160 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.129 5.250 -14.544 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.629 6.005 -13.044 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.311 4.550 -12.795 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.219 3.183 -12.908 1.00 0.00 H new ATOM 678 N VAL A 44 2.307 2.184 -12.380 1.00 0.00 N ATOM 679 CA VAL A 44 2.118 0.759 -12.612 1.00 0.00 C ATOM 680 C VAL A 44 0.832 0.271 -11.953 1.00 0.00 C ATOM 681 O VAL A 44 0.176 -0.645 -12.451 1.00 0.00 O ATOM 682 CB VAL A 44 3.306 -0.061 -12.076 1.00 0.00 C ATOM 683 CG1 VAL A 44 3.151 -1.531 -12.436 1.00 0.00 C ATOM 684 CG2 VAL A 44 4.622 0.491 -12.608 1.00 0.00 C ATOM 0 H VAL A 44 2.858 2.406 -11.551 1.00 0.00 H new ATOM 0 HA VAL A 44 2.051 0.614 -13.690 1.00 0.00 H new ATOM 0 HB VAL A 44 3.317 0.022 -10.989 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.001 -2.092 -12.048 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.231 -1.918 -11.999 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.110 -1.638 -13.520 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.449 -0.102 -12.218 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.623 0.443 -13.697 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.737 1.527 -12.290 1.00 0.00 H new ATOM 694 N LEU A 45 0.476 0.894 -10.832 1.00 0.00 N ATOM 695 CA LEU A 45 -0.734 0.533 -10.098 1.00 0.00 C ATOM 696 C LEU A 45 -1.942 0.484 -11.026 1.00 0.00 C ATOM 697 O LEU A 45 -2.819 -0.366 -10.875 1.00 0.00 O ATOM 698 CB LEU A 45 -0.992 1.535 -8.970 1.00 0.00 C ATOM 699 CG LEU A 45 -0.194 1.292 -7.688 1.00 0.00 C ATOM 700 CD1 LEU A 45 -0.609 2.279 -6.608 1.00 0.00 C ATOM 701 CD2 LEU A 45 -0.381 -0.139 -7.206 1.00 0.00 C ATOM 0 H LEU A 45 1.011 1.654 -10.411 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.583 -0.458 -9.671 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.765 2.536 -9.336 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.054 1.518 -8.726 1.00 0.00 H new ATOM 0 HG LEU A 45 0.863 1.445 -7.905 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.031 2.092 -5.703 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.423 3.296 -6.954 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.671 2.158 -6.393 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.194 -0.293 -6.293 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.437 -0.320 -7.005 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.034 -0.830 -7.974 1.00 0.00 H new ATOM 713 N TYR A 46 -1.982 1.401 -11.984 1.00 0.00 N ATOM 714 CA TYR A 46 -3.086 1.458 -12.935 1.00 0.00 C ATOM 715 C TYR A 46 -3.024 0.289 -13.913 1.00 0.00 C ATOM 716 O TYR A 46 -4.055 -0.223 -14.351 1.00 0.00 O ATOM 717 CB TYR A 46 -3.059 2.781 -13.702 1.00 0.00 C ATOM 718 CG TYR A 46 -4.292 3.019 -14.544 1.00 0.00 C ATOM 719 CD1 TYR A 46 -4.453 2.382 -15.769 1.00 0.00 C ATOM 720 CD2 TYR A 46 -5.295 3.878 -14.114 1.00 0.00 C ATOM 721 CE1 TYR A 46 -5.579 2.597 -16.542 1.00 0.00 C ATOM 722 CE2 TYR A 46 -6.423 4.098 -14.881 1.00 0.00 C ATOM 723 CZ TYR A 46 -6.560 3.455 -16.093 1.00 0.00 C ATOM 724 OH TYR A 46 -7.683 3.671 -16.860 1.00 0.00 O ATOM 0 H TYR A 46 -1.266 2.114 -12.123 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.018 1.390 -12.374 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.951 3.601 -12.992 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.180 2.800 -14.347 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -3.686 1.708 -16.123 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.192 4.382 -13.165 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -5.689 2.096 -17.492 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.193 4.770 -14.533 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.277 4.301 -16.401 1.00 0.00 H new ATOM 734 N SER A 47 -1.809 -0.125 -14.256 1.00 0.00 N ATOM 735 CA SER A 47 -1.611 -1.230 -15.189 1.00 0.00 C ATOM 736 C SER A 47 -1.533 -2.577 -14.469 1.00 0.00 C ATOM 737 O SER A 47 -1.220 -3.596 -15.087 1.00 0.00 O ATOM 738 CB SER A 47 -0.339 -1.007 -16.008 1.00 0.00 C ATOM 739 OG SER A 47 0.819 -1.247 -15.226 1.00 0.00 O ATOM 0 H SER A 47 -0.946 0.288 -13.902 1.00 0.00 H new ATOM 0 HA SER A 47 -2.475 -1.256 -15.853 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.340 -1.668 -16.875 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.321 0.015 -16.387 1.00 0.00 H new ATOM 0 HG SER A 47 0.635 -1.019 -14.291 1.00 0.00 H new ATOM 745 N ILE A 48 -1.811 -2.588 -13.166 1.00 0.00 N ATOM 746 CA ILE A 48 -1.759 -3.826 -12.394 1.00 0.00 C ATOM 747 C ILE A 48 -2.969 -3.968 -11.473 1.00 0.00 C ATOM 748 O ILE A 48 -3.539 -5.053 -11.350 1.00 0.00 O ATOM 749 CB ILE A 48 -0.471 -3.913 -11.550 1.00 0.00 C ATOM 750 CG1 ILE A 48 -0.337 -2.686 -10.646 1.00 0.00 C ATOM 751 CG2 ILE A 48 0.746 -4.050 -12.455 1.00 0.00 C ATOM 752 CD1 ILE A 48 -0.764 -2.938 -9.217 1.00 0.00 C ATOM 0 H ILE A 48 -2.072 -1.762 -12.628 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.767 -4.640 -13.118 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.531 -4.798 -10.916 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.700 -2.351 -10.653 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.937 -1.874 -11.058 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.648 -4.110 -11.846 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.653 -4.955 -13.056 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.810 -3.183 -13.113 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.642 -2.025 -8.634 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.810 -3.243 -9.198 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.148 -3.728 -8.787 1.00 0.00 H new ATOM 764 N ALA A 49 -3.357 -2.875 -10.826 1.00 0.00 N ATOM 765 CA ALA A 49 -4.498 -2.890 -9.916 1.00 0.00 C ATOM 766 C ALA A 49 -5.788 -3.227 -10.655 1.00 0.00 C ATOM 767 O ALA A 49 -6.681 -3.868 -10.102 1.00 0.00 O ATOM 768 CB ALA A 49 -4.628 -1.549 -9.210 1.00 0.00 C ATOM 0 H ALA A 49 -2.899 -1.968 -10.914 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.325 -3.666 -9.171 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.483 -1.575 -8.535 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.721 -1.349 -8.640 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.773 -0.761 -9.949 1.00 0.00 H new ATOM 774 N GLU A 50 -5.882 -2.789 -11.907 1.00 0.00 N ATOM 775 CA GLU A 50 -7.064 -3.040 -12.725 1.00 0.00 C ATOM 776 C GLU A 50 -7.487 -4.506 -12.657 1.00 0.00 C ATOM 777 O GLU A 50 -8.666 -4.829 -12.807 1.00 0.00 O ATOM 778 CB GLU A 50 -6.795 -2.644 -14.178 1.00 0.00 C ATOM 779 CG GLU A 50 -8.002 -2.042 -14.877 1.00 0.00 C ATOM 780 CD GLU A 50 -8.216 -0.584 -14.520 1.00 0.00 C ATOM 781 OE1 GLU A 50 -7.698 -0.149 -13.469 1.00 0.00 O ATOM 782 OE2 GLU A 50 -8.900 0.122 -15.290 1.00 0.00 O ATOM 0 H GLU A 50 -5.151 -2.257 -12.379 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.878 -2.433 -12.329 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.975 -1.927 -14.205 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.467 -3.524 -14.731 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.875 -2.133 -15.956 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.893 -2.612 -14.611 1.00 0.00 H new ATOM 789 N LYS A 51 -6.519 -5.389 -12.431 1.00 0.00 N ATOM 790 CA LYS A 51 -6.793 -6.818 -12.347 1.00 0.00 C ATOM 791 C LYS A 51 -7.573 -7.155 -11.078 1.00 0.00 C ATOM 792 O LYS A 51 -8.350 -8.109 -11.053 1.00 0.00 O ATOM 793 CB LYS A 51 -5.485 -7.611 -12.378 1.00 0.00 C ATOM 794 CG LYS A 51 -4.796 -7.594 -13.734 1.00 0.00 C ATOM 795 CD LYS A 51 -4.082 -8.907 -14.012 1.00 0.00 C ATOM 796 CE LYS A 51 -2.616 -8.838 -13.611 1.00 0.00 C ATOM 797 NZ LYS A 51 -2.059 -10.186 -13.311 1.00 0.00 N ATOM 0 H LYS A 51 -5.538 -5.139 -12.303 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.402 -7.094 -13.208 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.805 -7.205 -11.629 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.689 -8.644 -12.096 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.533 -7.407 -14.515 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.079 -6.774 -13.769 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.573 -9.712 -13.465 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.160 -9.148 -15.072 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.041 -8.378 -14.415 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.509 -8.198 -12.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.862 -10.261 -12.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.748 -10.915 -13.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.178 -10.324 -13.846 1.00 0.00 H new ATOM 811 N VAL A 52 -7.361 -6.368 -10.029 1.00 0.00 N ATOM 812 CA VAL A 52 -8.045 -6.587 -8.759 1.00 0.00 C ATOM 813 C VAL A 52 -8.711 -5.308 -8.258 1.00 0.00 C ATOM 814 O VAL A 52 -8.920 -5.136 -7.058 1.00 0.00 O ATOM 815 CB VAL A 52 -7.073 -7.101 -7.680 1.00 0.00 C ATOM 816 CG1 VAL A 52 -6.748 -8.569 -7.909 1.00 0.00 C ATOM 817 CG2 VAL A 52 -5.804 -6.263 -7.660 1.00 0.00 C ATOM 0 H VAL A 52 -6.722 -5.573 -10.032 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.810 -7.342 -8.941 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.557 -7.008 -6.708 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.060 -8.914 -7.137 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.666 -9.156 -7.866 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.285 -8.691 -8.888 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.130 -6.642 -6.891 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.315 -6.321 -8.632 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.057 -5.225 -7.442 1.00 0.00 H new ATOM 827 N LYS A 53 -9.039 -4.412 -9.186 1.00 0.00 N ATOM 828 CA LYS A 53 -9.678 -3.150 -8.843 1.00 0.00 C ATOM 829 C LYS A 53 -10.900 -3.372 -7.957 1.00 0.00 C ATOM 830 O LYS A 53 -11.170 -2.590 -7.046 1.00 0.00 O ATOM 831 CB LYS A 53 -10.084 -2.399 -10.113 1.00 0.00 C ATOM 832 CG LYS A 53 -10.014 -0.888 -9.975 1.00 0.00 C ATOM 833 CD LYS A 53 -11.081 -0.203 -10.812 1.00 0.00 C ATOM 834 CE LYS A 53 -10.529 0.258 -12.151 1.00 0.00 C ATOM 835 NZ LYS A 53 -11.116 1.558 -12.577 1.00 0.00 N ATOM 0 H LYS A 53 -8.871 -4.540 -10.184 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.958 -2.551 -8.286 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.436 -2.711 -10.932 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -11.101 -2.684 -10.384 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -10.138 -0.611 -8.928 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.028 -0.539 -10.283 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.912 -0.889 -10.977 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.478 0.653 -10.267 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.445 0.354 -12.083 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.735 -0.499 -12.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.713 1.837 -13.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.147 1.460 -12.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.898 2.286 -11.868 1.00 0.00 H new ATOM 849 N ASN A 54 -11.637 -4.444 -8.233 1.00 0.00 N ATOM 850 CA ASN A 54 -12.831 -4.769 -7.462 1.00 0.00 C ATOM 851 C ASN A 54 -12.512 -5.775 -6.361 1.00 0.00 C ATOM 852 O ASN A 54 -13.270 -6.715 -6.123 1.00 0.00 O ATOM 853 CB ASN A 54 -13.920 -5.329 -8.382 1.00 0.00 C ATOM 854 CG ASN A 54 -14.701 -4.236 -9.085 1.00 0.00 C ATOM 855 OD1 ASN A 54 -14.316 -3.067 -9.059 1.00 0.00 O ATOM 856 ND2 ASN A 54 -15.807 -4.612 -9.717 1.00 0.00 N ATOM 0 H ASN A 54 -11.428 -5.101 -8.984 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.193 -3.852 -6.996 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -13.463 -5.981 -9.126 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.605 -5.943 -7.798 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -16.375 -3.920 -10.207 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -16.089 -5.592 -9.713 1.00 0.00 H new ATOM 863 N PHE A 55 -11.383 -5.570 -5.690 1.00 0.00 N ATOM 864 CA PHE A 55 -10.962 -6.458 -4.613 1.00 0.00 C ATOM 865 C PHE A 55 -10.065 -5.724 -3.624 1.00 0.00 C ATOM 866 O PHE A 55 -10.243 -5.826 -2.411 1.00 0.00 O ATOM 867 CB PHE A 55 -10.229 -7.674 -5.181 1.00 0.00 C ATOM 868 CG PHE A 55 -11.127 -8.627 -5.917 1.00 0.00 C ATOM 869 CD1 PHE A 55 -12.162 -9.271 -5.260 1.00 0.00 C ATOM 870 CD2 PHE A 55 -10.937 -8.875 -7.267 1.00 0.00 C ATOM 871 CE1 PHE A 55 -12.991 -10.148 -5.934 1.00 0.00 C ATOM 872 CE2 PHE A 55 -11.762 -9.751 -7.947 1.00 0.00 C ATOM 873 CZ PHE A 55 -12.791 -10.388 -7.280 1.00 0.00 C ATOM 0 H PHE A 55 -10.744 -4.797 -5.873 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.854 -6.796 -4.085 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.444 -7.332 -5.856 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.739 -8.206 -4.366 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -12.323 -9.086 -4.208 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -10.135 -8.378 -7.794 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -13.794 -10.645 -5.409 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -11.603 -9.937 -8.999 1.00 0.00 H new ATOM 0 HZ PHE A 55 -13.438 -11.072 -7.810 1.00 0.00 H new ATOM 883 N ALA A 56 -9.103 -4.984 -4.155 1.00 0.00 N ATOM 884 CA ALA A 56 -8.173 -4.227 -3.326 1.00 0.00 C ATOM 885 C ALA A 56 -8.534 -2.745 -3.308 1.00 0.00 C ATOM 886 O ALA A 56 -9.365 -2.290 -4.094 1.00 0.00 O ATOM 887 CB ALA A 56 -6.748 -4.421 -3.818 1.00 0.00 C ATOM 0 H ALA A 56 -8.945 -4.891 -5.158 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.246 -4.603 -2.306 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.065 -3.850 -3.189 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.487 -5.478 -3.770 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.668 -4.074 -4.848 1.00 0.00 H new ATOM 893 N VAL A 57 -7.905 -2.000 -2.407 1.00 0.00 N ATOM 894 CA VAL A 57 -8.161 -0.570 -2.286 1.00 0.00 C ATOM 895 C VAL A 57 -6.896 0.183 -1.881 1.00 0.00 C ATOM 896 O VAL A 57 -6.654 0.422 -0.699 1.00 0.00 O ATOM 897 CB VAL A 57 -9.277 -0.292 -1.257 1.00 0.00 C ATOM 898 CG1 VAL A 57 -8.960 -0.967 0.069 1.00 0.00 C ATOM 899 CG2 VAL A 57 -9.484 1.205 -1.070 1.00 0.00 C ATOM 0 H VAL A 57 -7.214 -2.362 -1.750 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.485 -0.215 -3.265 1.00 0.00 H new ATOM 0 HB VAL A 57 -10.207 -0.712 -1.640 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.758 -0.760 0.782 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.878 -2.043 -0.081 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.017 -0.582 0.457 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.276 1.374 -0.340 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.559 1.659 -0.714 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -9.766 1.655 -2.022 1.00 0.00 H new ATOM 909 N ILE A 58 -6.095 0.558 -2.873 1.00 0.00 N ATOM 910 CA ILE A 58 -4.857 1.287 -2.622 1.00 0.00 C ATOM 911 C ILE A 58 -5.134 2.769 -2.389 1.00 0.00 C ATOM 912 O ILE A 58 -6.152 3.296 -2.838 1.00 0.00 O ATOM 913 CB ILE A 58 -3.867 1.128 -3.796 1.00 0.00 C ATOM 914 CG1 ILE A 58 -2.518 1.780 -3.458 1.00 0.00 C ATOM 915 CG2 ILE A 58 -4.458 1.709 -5.076 1.00 0.00 C ATOM 916 CD1 ILE A 58 -2.425 3.249 -3.825 1.00 0.00 C ATOM 0 H ILE A 58 -6.281 0.369 -3.858 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.409 0.862 -1.724 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.691 0.065 -3.961 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.333 1.672 -2.389 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.726 1.238 -3.975 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.746 1.588 -5.893 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.383 1.186 -5.320 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.668 2.769 -4.931 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.441 3.630 -3.553 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.575 3.366 -4.898 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.192 3.807 -3.288 1.00 0.00 H new ATOM 928 N TYR A 59 -4.219 3.438 -1.692 1.00 0.00 N ATOM 929 CA TYR A 59 -4.355 4.851 -1.407 1.00 0.00 C ATOM 930 C TYR A 59 -3.026 5.446 -0.955 1.00 0.00 C ATOM 931 O TYR A 59 -2.420 4.980 0.009 1.00 0.00 O ATOM 932 CB TYR A 59 -5.427 5.088 -0.341 1.00 0.00 C ATOM 933 CG TYR A 59 -6.842 5.015 -0.868 1.00 0.00 C ATOM 934 CD1 TYR A 59 -7.210 5.690 -2.025 1.00 0.00 C ATOM 935 CD2 TYR A 59 -7.811 4.268 -0.208 1.00 0.00 C ATOM 936 CE1 TYR A 59 -8.502 5.623 -2.509 1.00 0.00 C ATOM 937 CE2 TYR A 59 -9.106 4.198 -0.686 1.00 0.00 C ATOM 938 CZ TYR A 59 -9.446 4.876 -1.837 1.00 0.00 C ATOM 939 OH TYR A 59 -10.734 4.808 -2.316 1.00 0.00 O ATOM 0 H TYR A 59 -3.372 3.014 -1.315 1.00 0.00 H new ATOM 0 HA TYR A 59 -4.661 5.349 -2.327 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.307 4.350 0.452 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.267 6.068 0.109 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.474 6.277 -2.555 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.548 3.734 0.693 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -8.772 6.154 -3.410 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.848 3.615 -0.160 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.273 4.240 -1.726 1.00 0.00 H new ATOM 949 N LEU A 60 -2.576 6.480 -1.660 1.00 0.00 N ATOM 950 CA LEU A 60 -1.317 7.139 -1.332 1.00 0.00 C ATOM 951 C LEU A 60 -1.428 7.913 -0.022 1.00 0.00 C ATOM 952 O LEU A 60 -2.480 7.923 0.618 1.00 0.00 O ATOM 953 CB LEU A 60 -0.904 8.084 -2.462 1.00 0.00 C ATOM 954 CG LEU A 60 -0.042 7.448 -3.554 1.00 0.00 C ATOM 955 CD1 LEU A 60 -0.719 6.206 -4.113 1.00 0.00 C ATOM 956 CD2 LEU A 60 0.237 8.452 -4.663 1.00 0.00 C ATOM 0 H LEU A 60 -3.065 6.879 -2.462 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.555 6.369 -1.212 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.804 8.491 -2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.358 8.924 -2.032 1.00 0.00 H new ATOM 0 HG LEU A 60 0.909 7.150 -3.113 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.091 5.767 -4.888 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.867 5.481 -3.313 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.685 6.478 -4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.851 7.984 -5.432 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.705 8.781 -5.102 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.765 9.312 -4.251 1.00 0.00 H new ATOM 968 N VAL A 61 -0.336 8.561 0.368 1.00 0.00 N ATOM 969 CA VAL A 61 -0.305 9.341 1.599 1.00 0.00 C ATOM 970 C VAL A 61 0.720 10.465 1.507 1.00 0.00 C ATOM 971 O VAL A 61 1.829 10.268 1.011 1.00 0.00 O ATOM 972 CB VAL A 61 0.028 8.457 2.817 1.00 0.00 C ATOM 973 CG1 VAL A 61 -0.136 9.243 4.109 1.00 0.00 C ATOM 974 CG2 VAL A 61 -0.844 7.212 2.828 1.00 0.00 C ATOM 0 H VAL A 61 0.541 8.561 -0.152 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.300 9.767 1.731 1.00 0.00 H new ATOM 0 HB VAL A 61 1.069 8.143 2.740 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.103 8.602 4.958 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.536 10.101 4.101 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.166 9.590 4.196 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.594 6.601 3.695 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.893 7.503 2.879 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.671 6.638 1.918 1.00 0.00 H new ATOM 984 N ASP A 62 0.343 11.647 1.985 1.00 0.00 N ATOM 985 CA ASP A 62 1.232 12.801 1.952 1.00 0.00 C ATOM 986 C ASP A 62 1.918 13.000 3.299 1.00 0.00 C ATOM 987 O ASP A 62 1.296 13.444 4.264 1.00 0.00 O ATOM 988 CB ASP A 62 0.452 14.062 1.575 1.00 0.00 C ATOM 989 CG ASP A 62 1.269 15.014 0.722 1.00 0.00 C ATOM 990 OD1 ASP A 62 2.112 14.533 -0.063 1.00 0.00 O ATOM 991 OD2 ASP A 62 1.066 16.241 0.841 1.00 0.00 O ATOM 0 H ASP A 62 -0.571 11.830 2.399 1.00 0.00 H new ATOM 0 HA ASP A 62 1.997 12.615 1.198 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.452 13.779 1.035 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.134 14.574 2.483 1.00 0.00 H new ATOM 996 N ILE A 63 3.204 12.669 3.359 1.00 0.00 N ATOM 997 CA ILE A 63 3.975 12.813 4.588 1.00 0.00 C ATOM 998 C ILE A 63 4.453 14.253 4.771 1.00 0.00 C ATOM 999 O ILE A 63 5.648 14.510 4.917 1.00 0.00 O ATOM 1000 CB ILE A 63 5.191 11.862 4.600 1.00 0.00 C ATOM 1001 CG1 ILE A 63 5.941 11.963 5.933 1.00 0.00 C ATOM 1002 CG2 ILE A 63 6.120 12.171 3.435 1.00 0.00 C ATOM 1003 CD1 ILE A 63 5.699 10.787 6.851 1.00 0.00 C ATOM 0 H ILE A 63 3.734 12.299 2.570 1.00 0.00 H new ATOM 0 HA ILE A 63 3.315 12.550 5.414 1.00 0.00 H new ATOM 0 HB ILE A 63 4.830 10.839 4.489 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.010 12.045 5.734 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.640 12.879 6.442 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.972 11.491 3.459 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.581 12.044 2.496 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.474 13.199 3.514 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.260 10.925 7.775 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.636 10.717 7.080 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.026 9.870 6.361 1.00 0.00 H new ATOM 1015 N THR A 64 3.507 15.187 4.763 1.00 0.00 N ATOM 1016 CA THR A 64 3.821 16.601 4.929 1.00 0.00 C ATOM 1017 C THR A 64 2.558 17.398 5.236 1.00 0.00 C ATOM 1018 O THR A 64 2.553 18.260 6.115 1.00 0.00 O ATOM 1019 CB THR A 64 4.490 17.152 3.667 1.00 0.00 C ATOM 1020 OG1 THR A 64 5.426 16.224 3.148 1.00 0.00 O ATOM 1021 CG2 THR A 64 5.218 18.458 3.898 1.00 0.00 C ATOM 0 H THR A 64 2.514 14.989 4.643 1.00 0.00 H new ATOM 0 HA THR A 64 4.511 16.700 5.767 1.00 0.00 H new ATOM 0 HB THR A 64 3.677 17.327 2.963 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.010 15.910 3.870 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.669 18.793 2.964 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.513 19.210 4.251 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.998 18.313 4.646 1.00 0.00 H new ATOM 1029 N GLU A 65 1.489 17.103 4.504 1.00 0.00 N ATOM 1030 CA GLU A 65 0.216 17.787 4.695 1.00 0.00 C ATOM 1031 C GLU A 65 -0.635 17.069 5.737 1.00 0.00 C ATOM 1032 O GLU A 65 -1.351 17.704 6.513 1.00 0.00 O ATOM 1033 CB GLU A 65 -0.544 17.872 3.370 1.00 0.00 C ATOM 1034 CG GLU A 65 -1.813 18.705 3.448 1.00 0.00 C ATOM 1035 CD GLU A 65 -2.125 19.416 2.146 1.00 0.00 C ATOM 1036 OE1 GLU A 65 -2.355 18.724 1.133 1.00 0.00 O ATOM 1037 OE2 GLU A 65 -2.139 20.665 2.140 1.00 0.00 O ATOM 0 H GLU A 65 1.479 16.393 3.772 1.00 0.00 H new ATOM 0 HA GLU A 65 0.423 18.796 5.053 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.113 18.296 2.611 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.800 16.864 3.043 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.650 18.060 3.715 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.711 19.442 4.245 1.00 0.00 H new ATOM 1044 N VAL A 66 -0.553 15.743 5.748 1.00 0.00 N ATOM 1045 CA VAL A 66 -1.309 14.935 6.685 1.00 0.00 C ATOM 1046 C VAL A 66 -0.995 15.323 8.131 1.00 0.00 C ATOM 1047 O VAL A 66 0.084 15.834 8.424 1.00 0.00 O ATOM 1048 CB VAL A 66 -1.002 13.442 6.476 1.00 0.00 C ATOM 1049 CG1 VAL A 66 -1.301 13.033 5.041 1.00 0.00 C ATOM 1050 CG2 VAL A 66 0.445 13.131 6.834 1.00 0.00 C ATOM 0 H VAL A 66 0.036 15.206 5.111 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.367 15.117 6.499 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.645 12.865 7.140 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.078 11.974 4.911 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.354 13.212 4.824 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.685 13.620 4.360 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.638 12.070 6.678 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.111 13.718 6.201 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.623 13.383 7.879 1.00 0.00 H new ATOM 1060 N PRO A 67 -1.941 15.082 9.055 1.00 0.00 N ATOM 1061 CA PRO A 67 -1.758 15.409 10.474 1.00 0.00 C ATOM 1062 C PRO A 67 -0.570 14.676 11.087 1.00 0.00 C ATOM 1063 O PRO A 67 0.034 15.149 12.050 1.00 0.00 O ATOM 1064 CB PRO A 67 -3.068 14.950 11.129 1.00 0.00 C ATOM 1065 CG PRO A 67 -3.680 14.001 10.156 1.00 0.00 C ATOM 1066 CD PRO A 67 -3.255 14.475 8.797 1.00 0.00 C ATOM 0 HA PRO A 67 -1.548 16.469 10.620 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.880 14.465 12.087 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.728 15.795 11.323 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -3.340 12.981 10.338 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -4.766 13.996 10.246 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.187 13.652 8.086 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.959 15.197 8.383 1.00 0.00 H new ATOM 1074 N ASP A 68 -0.237 13.520 10.522 1.00 0.00 N ATOM 1075 CA ASP A 68 0.881 12.724 11.012 1.00 0.00 C ATOM 1076 C ASP A 68 2.208 13.294 10.521 1.00 0.00 C ATOM 1077 O ASP A 68 2.791 12.794 9.559 1.00 0.00 O ATOM 1078 CB ASP A 68 0.738 11.270 10.558 1.00 0.00 C ATOM 1079 CG ASP A 68 1.767 10.359 11.199 1.00 0.00 C ATOM 1080 OD1 ASP A 68 2.957 10.737 11.229 1.00 0.00 O ATOM 1081 OD2 ASP A 68 1.383 9.270 11.672 1.00 0.00 O ATOM 0 H ASP A 68 -0.726 13.114 9.724 1.00 0.00 H new ATOM 0 HA ASP A 68 0.870 12.759 12.101 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.262 10.913 10.803 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.838 11.220 9.474 1.00 0.00 H new ATOM 1086 N PHE A 69 2.680 14.341 11.190 1.00 0.00 N ATOM 1087 CA PHE A 69 3.938 14.981 10.822 1.00 0.00 C ATOM 1088 C PHE A 69 5.093 13.986 10.876 1.00 0.00 C ATOM 1089 O PHE A 69 5.578 13.525 9.843 1.00 0.00 O ATOM 1090 CB PHE A 69 4.224 16.164 11.749 1.00 0.00 C ATOM 1091 CG PHE A 69 3.668 17.467 11.249 1.00 0.00 C ATOM 1092 CD1 PHE A 69 2.299 17.672 11.190 1.00 0.00 C ATOM 1093 CD2 PHE A 69 4.513 18.485 10.841 1.00 0.00 C ATOM 1094 CE1 PHE A 69 1.784 18.870 10.731 1.00 0.00 C ATOM 1095 CE2 PHE A 69 4.004 19.684 10.381 1.00 0.00 C ATOM 1096 CZ PHE A 69 2.638 19.877 10.326 1.00 0.00 C ATOM 0 H PHE A 69 2.210 14.764 11.990 1.00 0.00 H new ATOM 0 HA PHE A 69 3.845 15.345 9.799 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.805 15.953 12.733 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.302 16.263 11.876 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.627 16.888 11.506 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.582 18.340 10.883 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.715 19.018 10.689 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.674 20.470 10.065 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.238 20.814 9.967 1.00 0.00 H new ATOM 1106 N ASN A 70 5.531 13.660 12.088 1.00 0.00 N ATOM 1107 CA ASN A 70 6.630 12.721 12.276 1.00 0.00 C ATOM 1108 C ASN A 70 6.296 11.700 13.359 1.00 0.00 C ATOM 1109 O ASN A 70 6.499 10.499 13.178 1.00 0.00 O ATOM 1110 CB ASN A 70 7.912 13.470 12.644 1.00 0.00 C ATOM 1111 CG ASN A 70 7.700 14.460 13.772 1.00 0.00 C ATOM 1112 OD1 ASN A 70 6.757 15.251 13.750 1.00 0.00 O ATOM 1113 ND2 ASN A 70 8.578 14.420 14.767 1.00 0.00 N ATOM 0 H ASN A 70 5.141 14.032 12.954 1.00 0.00 H new ATOM 0 HA ASN A 70 6.784 12.190 11.337 1.00 0.00 H new ATOM 0 HB2 ASN A 70 8.679 12.752 12.934 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.286 13.998 11.767 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.486 15.062 15.555 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.345 13.748 14.744 1.00 0.00 H new ATOM 1120 N LYS A 71 5.782 12.186 14.486 1.00 0.00 N ATOM 1121 CA LYS A 71 5.419 11.319 15.602 1.00 0.00 C ATOM 1122 C LYS A 71 6.651 10.623 16.173 1.00 0.00 C ATOM 1123 O LYS A 71 7.187 11.033 17.202 1.00 0.00 O ATOM 1124 CB LYS A 71 4.386 10.281 15.157 1.00 0.00 C ATOM 1125 CG LYS A 71 2.949 10.705 15.411 1.00 0.00 C ATOM 1126 CD LYS A 71 1.994 10.065 14.416 1.00 0.00 C ATOM 1127 CE LYS A 71 1.317 8.838 15.003 1.00 0.00 C ATOM 1128 NZ LYS A 71 0.903 7.873 13.947 1.00 0.00 N ATOM 0 H LYS A 71 5.608 13.177 14.650 1.00 0.00 H new ATOM 0 HA LYS A 71 4.981 11.939 16.384 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.515 10.085 14.093 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.577 9.344 15.679 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.660 10.426 16.424 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.872 11.790 15.344 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.238 10.791 14.117 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.540 9.785 13.515 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.997 8.346 15.698 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.443 9.145 15.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.039 7.378 14.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.717 8.386 13.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.663 7.180 13.793 1.00 0.00 H new ATOM 1142 N MET A 72 7.097 9.567 15.499 1.00 0.00 N ATOM 1143 CA MET A 72 8.267 8.816 15.939 1.00 0.00 C ATOM 1144 C MET A 72 9.472 9.123 15.057 1.00 0.00 C ATOM 1145 O MET A 72 10.431 9.757 15.498 1.00 0.00 O ATOM 1146 CB MET A 72 7.973 7.315 15.920 1.00 0.00 C ATOM 1147 CG MET A 72 7.411 6.789 17.230 1.00 0.00 C ATOM 1148 SD MET A 72 8.565 6.967 18.603 1.00 0.00 S ATOM 1149 CE MET A 72 7.845 8.356 19.474 1.00 0.00 C ATOM 0 H MET A 72 6.665 9.212 14.646 1.00 0.00 H new ATOM 0 HA MET A 72 8.500 9.119 16.960 1.00 0.00 H new ATOM 0 HB2 MET A 72 7.265 7.102 15.119 1.00 0.00 H new ATOM 0 HB3 MET A 72 8.891 6.776 15.686 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.489 7.321 17.465 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.151 5.737 17.113 1.00 0.00 H new ATOM 0 HE1 MET A 72 8.638 9.015 19.827 1.00 0.00 H new ATOM 0 HE2 MET A 72 7.188 8.907 18.801 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.270 7.993 20.325 1.00 0.00 H new ATOM 1159 N TYR A 73 9.416 8.671 13.810 1.00 0.00 N ATOM 1160 CA TYR A 73 10.502 8.898 12.864 1.00 0.00 C ATOM 1161 C TYR A 73 10.009 8.766 11.426 1.00 0.00 C ATOM 1162 O TYR A 73 10.770 8.402 10.530 1.00 0.00 O ATOM 1163 CB TYR A 73 11.642 7.909 13.117 1.00 0.00 C ATOM 1164 CG TYR A 73 13.016 8.505 12.913 1.00 0.00 C ATOM 1165 CD1 TYR A 73 13.338 9.754 13.428 1.00 0.00 C ATOM 1166 CD2 TYR A 73 13.994 7.816 12.205 1.00 0.00 C ATOM 1167 CE1 TYR A 73 14.593 10.301 13.243 1.00 0.00 C ATOM 1168 CE2 TYR A 73 15.251 8.357 12.016 1.00 0.00 C ATOM 1169 CZ TYR A 73 15.546 9.599 12.537 1.00 0.00 C ATOM 1170 OH TYR A 73 16.797 10.141 12.350 1.00 0.00 O ATOM 0 H TYR A 73 8.629 8.145 13.430 1.00 0.00 H new ATOM 0 HA TYR A 73 10.871 9.913 13.011 1.00 0.00 H new ATOM 0 HB2 TYR A 73 11.566 7.533 14.137 1.00 0.00 H new ATOM 0 HB3 TYR A 73 11.524 7.053 12.452 1.00 0.00 H new ATOM 0 HD1 TYR A 73 12.594 10.307 13.983 1.00 0.00 H new ATOM 0 HD2 TYR A 73 13.768 6.842 11.796 1.00 0.00 H new ATOM 0 HE1 TYR A 73 14.826 11.274 13.650 1.00 0.00 H new ATOM 0 HE2 TYR A 73 15.999 7.809 11.462 1.00 0.00 H new ATOM 0 HH TYR A 73 16.852 10.536 11.455 1.00 0.00 H new ATOM 1180 N GLU A 74 8.729 9.063 11.213 1.00 0.00 N ATOM 1181 CA GLU A 74 8.130 8.977 9.888 1.00 0.00 C ATOM 1182 C GLU A 74 8.984 9.693 8.846 1.00 0.00 C ATOM 1183 O GLU A 74 9.057 9.272 7.692 1.00 0.00 O ATOM 1184 CB GLU A 74 6.720 9.572 9.904 1.00 0.00 C ATOM 1185 CG GLU A 74 5.809 8.952 10.951 1.00 0.00 C ATOM 1186 CD GLU A 74 4.825 7.964 10.355 1.00 0.00 C ATOM 1187 OE1 GLU A 74 3.940 8.398 9.587 1.00 0.00 O ATOM 1188 OE2 GLU A 74 4.940 6.757 10.655 1.00 0.00 O ATOM 0 H GLU A 74 8.087 9.366 11.945 1.00 0.00 H new ATOM 0 HA GLU A 74 8.073 7.923 9.616 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.790 10.645 10.085 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.269 9.443 8.920 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.416 8.447 11.702 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.260 9.742 11.463 1.00 0.00 H new ATOM 1195 N LEU A 75 9.629 10.778 9.263 1.00 0.00 N ATOM 1196 CA LEU A 75 10.479 11.553 8.368 1.00 0.00 C ATOM 1197 C LEU A 75 11.783 10.816 8.079 1.00 0.00 C ATOM 1198 O LEU A 75 11.935 9.646 8.429 1.00 0.00 O ATOM 1199 CB LEU A 75 10.774 12.928 8.977 1.00 0.00 C ATOM 1200 CG LEU A 75 10.072 14.102 8.292 1.00 0.00 C ATOM 1201 CD1 LEU A 75 10.079 15.326 9.195 1.00 0.00 C ATOM 1202 CD2 LEU A 75 10.735 14.415 6.960 1.00 0.00 C ATOM 0 H LEU A 75 9.579 11.140 10.215 1.00 0.00 H new ATOM 0 HA LEU A 75 9.947 11.688 7.426 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.484 12.913 10.028 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.850 13.099 8.946 1.00 0.00 H new ATOM 0 HG LEU A 75 9.036 13.822 8.102 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.576 16.152 8.692 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.558 15.095 10.124 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.108 15.609 9.416 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.223 15.253 6.487 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.780 14.676 7.126 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.678 13.541 6.311 1.00 0.00 H new ATOM 1214 N TYR A 76 12.719 11.513 7.438 1.00 0.00 N ATOM 1215 CA TYR A 76 14.021 10.940 7.092 1.00 0.00 C ATOM 1216 C TYR A 76 13.923 10.071 5.840 1.00 0.00 C ATOM 1217 O TYR A 76 14.648 10.284 4.868 1.00 0.00 O ATOM 1218 CB TYR A 76 14.583 10.118 8.256 1.00 0.00 C ATOM 1219 CG TYR A 76 16.077 10.263 8.434 1.00 0.00 C ATOM 1220 CD1 TYR A 76 16.621 11.411 8.999 1.00 0.00 C ATOM 1221 CD2 TYR A 76 16.946 9.253 8.038 1.00 0.00 C ATOM 1222 CE1 TYR A 76 17.986 11.548 9.163 1.00 0.00 C ATOM 1223 CE2 TYR A 76 18.312 9.383 8.199 1.00 0.00 C ATOM 1224 CZ TYR A 76 18.827 10.531 8.762 1.00 0.00 C ATOM 1225 OH TYR A 76 20.187 10.664 8.925 1.00 0.00 O ATOM 0 H TYR A 76 12.600 12.483 7.145 1.00 0.00 H new ATOM 0 HA TYR A 76 14.701 11.767 6.888 1.00 0.00 H new ATOM 0 HB2 TYR A 76 14.085 10.420 9.177 1.00 0.00 H new ATOM 0 HB3 TYR A 76 14.345 9.066 8.095 1.00 0.00 H new ATOM 0 HD1 TYR A 76 15.966 12.209 9.315 1.00 0.00 H new ATOM 0 HD2 TYR A 76 16.547 8.352 7.597 1.00 0.00 H new ATOM 0 HE1 TYR A 76 18.392 12.447 9.603 1.00 0.00 H new ATOM 0 HE2 TYR A 76 18.973 8.589 7.885 1.00 0.00 H new ATOM 0 HH TYR A 76 20.637 9.859 8.593 1.00 0.00 H new ATOM 1235 N ASP A 77 13.023 9.094 5.870 1.00 0.00 N ATOM 1236 CA ASP A 77 12.835 8.196 4.736 1.00 0.00 C ATOM 1237 C ASP A 77 12.223 8.941 3.549 1.00 0.00 C ATOM 1238 O ASP A 77 11.324 9.764 3.722 1.00 0.00 O ATOM 1239 CB ASP A 77 11.938 7.022 5.133 1.00 0.00 C ATOM 1240 CG ASP A 77 12.478 6.261 6.328 1.00 0.00 C ATOM 1241 OD1 ASP A 77 13.391 5.429 6.139 1.00 0.00 O ATOM 1242 OD2 ASP A 77 11.989 6.497 7.452 1.00 0.00 O ATOM 0 H ASP A 77 12.413 8.904 6.665 1.00 0.00 H new ATOM 0 HA ASP A 77 13.812 7.814 4.439 1.00 0.00 H new ATOM 0 HB2 ASP A 77 10.939 7.393 5.363 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.839 6.342 4.287 1.00 0.00 H new ATOM 1247 N PRO A 78 12.703 8.662 2.325 1.00 0.00 N ATOM 1248 CA PRO A 78 12.196 9.311 1.113 1.00 0.00 C ATOM 1249 C PRO A 78 10.827 8.781 0.698 1.00 0.00 C ATOM 1250 O PRO A 78 9.928 9.552 0.363 1.00 0.00 O ATOM 1251 CB PRO A 78 13.247 8.962 0.061 1.00 0.00 C ATOM 1252 CG PRO A 78 13.820 7.665 0.519 1.00 0.00 C ATOM 1253 CD PRO A 78 13.776 7.693 2.024 1.00 0.00 C ATOM 0 HA PRO A 78 12.052 10.382 1.254 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.801 8.871 -0.930 1.00 0.00 H new ATOM 0 HB3 PRO A 78 14.014 9.734 -0.004 1.00 0.00 H new ATOM 0 HG2 PRO A 78 13.244 6.826 0.129 1.00 0.00 H new ATOM 0 HG3 PRO A 78 14.843 7.544 0.162 1.00 0.00 H new ATOM 0 HD2 PRO A 78 13.554 6.709 2.436 1.00 0.00 H new ATOM 0 HD3 PRO A 78 14.730 8.008 2.447 1.00 0.00 H new ATOM 1261 N CYS A 79 10.677 7.460 0.722 1.00 0.00 N ATOM 1262 CA CYS A 79 9.417 6.828 0.347 1.00 0.00 C ATOM 1263 C CYS A 79 9.379 5.373 0.807 1.00 0.00 C ATOM 1264 O CYS A 79 10.404 4.801 1.178 1.00 0.00 O ATOM 1265 CB CYS A 79 9.216 6.902 -1.168 1.00 0.00 C ATOM 1266 SG CYS A 79 8.270 8.341 -1.718 1.00 0.00 S ATOM 0 H CYS A 79 11.411 6.808 0.997 1.00 0.00 H new ATOM 0 HA CYS A 79 8.608 7.367 0.840 1.00 0.00 H new ATOM 0 HB2 CYS A 79 10.192 6.915 -1.653 1.00 0.00 H new ATOM 0 HB3 CYS A 79 8.707 5.997 -1.501 1.00 0.00 H new ATOM 0 HG CYS A 79 8.614 9.380 -1.017 1.00 0.00 H new ATOM 1272 N THR A 80 8.188 4.782 0.779 1.00 0.00 N ATOM 1273 CA THR A 80 8.013 3.394 1.192 1.00 0.00 C ATOM 1274 C THR A 80 6.567 2.950 0.997 1.00 0.00 C ATOM 1275 O THR A 80 5.639 3.749 1.131 1.00 0.00 O ATOM 1276 CB THR A 80 8.419 3.219 2.657 1.00 0.00 C ATOM 1277 OG1 THR A 80 8.322 1.861 3.045 1.00 0.00 O ATOM 1278 CG2 THR A 80 7.574 4.033 3.612 1.00 0.00 C ATOM 0 H THR A 80 7.330 5.243 0.475 1.00 0.00 H new ATOM 0 HA THR A 80 8.655 2.771 0.569 1.00 0.00 H new ATOM 0 HB THR A 80 9.448 3.573 2.717 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.587 1.769 3.984 1.00 0.00 H new ATOM 0 HG21 THR A 80 7.914 3.863 4.634 1.00 0.00 H new ATOM 0 HG22 THR A 80 7.668 5.091 3.369 1.00 0.00 H new ATOM 0 HG23 THR A 80 6.530 3.731 3.522 1.00 0.00 H new ATOM 1286 N VAL A 81 6.379 1.673 0.677 1.00 0.00 N ATOM 1287 CA VAL A 81 5.043 1.129 0.462 1.00 0.00 C ATOM 1288 C VAL A 81 4.701 0.068 1.503 1.00 0.00 C ATOM 1289 O VAL A 81 5.589 -0.571 2.069 1.00 0.00 O ATOM 1290 CB VAL A 81 4.912 0.511 -0.943 1.00 0.00 C ATOM 1291 CG1 VAL A 81 3.468 0.129 -1.227 1.00 0.00 C ATOM 1292 CG2 VAL A 81 5.436 1.474 -1.998 1.00 0.00 C ATOM 0 H VAL A 81 7.134 0.997 0.561 1.00 0.00 H new ATOM 0 HA VAL A 81 4.345 1.961 0.556 1.00 0.00 H new ATOM 0 HB VAL A 81 5.515 -0.396 -0.980 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.396 -0.306 -2.224 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.132 -0.599 -0.489 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.839 1.018 -1.172 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.336 1.022 -2.985 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.862 2.400 -1.963 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.486 1.691 -1.803 1.00 0.00 H new ATOM 1302 N MET A 82 3.408 -0.115 1.748 1.00 0.00 N ATOM 1303 CA MET A 82 2.943 -1.100 2.720 1.00 0.00 C ATOM 1304 C MET A 82 1.550 -1.605 2.354 1.00 0.00 C ATOM 1305 O MET A 82 0.899 -1.064 1.461 1.00 0.00 O ATOM 1306 CB MET A 82 2.927 -0.494 4.124 1.00 0.00 C ATOM 1307 CG MET A 82 1.945 0.655 4.281 1.00 0.00 C ATOM 1308 SD MET A 82 2.519 1.907 5.444 1.00 0.00 S ATOM 1309 CE MET A 82 2.247 1.070 7.004 1.00 0.00 C ATOM 0 H MET A 82 2.662 0.406 1.287 1.00 0.00 H new ATOM 0 HA MET A 82 3.633 -1.944 2.706 1.00 0.00 H new ATOM 0 HB2 MET A 82 2.679 -1.274 4.844 1.00 0.00 H new ATOM 0 HB3 MET A 82 3.929 -0.141 4.369 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.776 1.118 3.309 1.00 0.00 H new ATOM 0 HG3 MET A 82 0.985 0.264 4.619 1.00 0.00 H new ATOM 0 HE1 MET A 82 1.486 1.602 7.574 1.00 0.00 H new ATOM 0 HE2 MET A 82 1.913 0.050 6.816 1.00 0.00 H new ATOM 0 HE3 MET A 82 3.177 1.048 7.572 1.00 0.00 H new ATOM 1319 N PHE A 83 1.099 -2.644 3.050 1.00 0.00 N ATOM 1320 CA PHE A 83 -0.217 -3.219 2.795 1.00 0.00 C ATOM 1321 C PHE A 83 -1.015 -3.352 4.087 1.00 0.00 C ATOM 1322 O PHE A 83 -0.445 -3.422 5.177 1.00 0.00 O ATOM 1323 CB PHE A 83 -0.078 -4.589 2.127 1.00 0.00 C ATOM 1324 CG PHE A 83 0.295 -4.513 0.674 1.00 0.00 C ATOM 1325 CD1 PHE A 83 1.513 -3.983 0.284 1.00 0.00 C ATOM 1326 CD2 PHE A 83 -0.576 -4.973 -0.302 1.00 0.00 C ATOM 1327 CE1 PHE A 83 1.859 -3.913 -1.053 1.00 0.00 C ATOM 1328 CE2 PHE A 83 -0.236 -4.905 -1.640 1.00 0.00 C ATOM 1329 CZ PHE A 83 0.982 -4.374 -2.015 1.00 0.00 C ATOM 0 H PHE A 83 1.624 -3.104 3.793 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.754 -2.547 2.125 1.00 0.00 H new ATOM 0 HB2 PHE A 83 0.678 -5.168 2.658 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -1.020 -5.129 2.224 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.201 -3.620 1.033 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.530 -5.389 -0.014 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.813 -3.499 -1.344 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.922 -5.267 -2.391 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.249 -4.319 -3.060 1.00 0.00 H new ATOM 1339 N PHE A 84 -2.338 -3.388 3.959 1.00 0.00 N ATOM 1340 CA PHE A 84 -3.217 -3.514 5.114 1.00 0.00 C ATOM 1341 C PHE A 84 -4.395 -4.429 4.799 1.00 0.00 C ATOM 1342 O PHE A 84 -4.657 -4.744 3.636 1.00 0.00 O ATOM 1343 CB PHE A 84 -3.722 -2.137 5.551 1.00 0.00 C ATOM 1344 CG PHE A 84 -2.933 -1.540 6.682 1.00 0.00 C ATOM 1345 CD1 PHE A 84 -1.780 -0.814 6.430 1.00 0.00 C ATOM 1346 CD2 PHE A 84 -3.345 -1.705 7.994 1.00 0.00 C ATOM 1347 CE1 PHE A 84 -1.053 -0.262 7.468 1.00 0.00 C ATOM 1348 CE2 PHE A 84 -2.621 -1.157 9.036 1.00 0.00 C ATOM 1349 CZ PHE A 84 -1.474 -0.434 8.773 1.00 0.00 C ATOM 0 H PHE A 84 -2.825 -3.331 3.064 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.646 -3.956 5.931 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.689 -1.459 4.698 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.766 -2.220 5.851 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.446 -0.678 5.412 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.242 -2.268 8.205 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.157 0.303 7.259 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.952 -1.294 10.055 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.907 -0.004 9.586 1.00 0.00 H new ATOM 1359 N PHE A 85 -5.101 -4.854 5.840 1.00 0.00 N ATOM 1360 CA PHE A 85 -6.251 -5.734 5.679 1.00 0.00 C ATOM 1361 C PHE A 85 -7.295 -5.439 6.750 1.00 0.00 C ATOM 1362 O PHE A 85 -7.169 -4.465 7.491 1.00 0.00 O ATOM 1363 CB PHE A 85 -5.805 -7.195 5.762 1.00 0.00 C ATOM 1364 CG PHE A 85 -6.443 -8.086 4.733 1.00 0.00 C ATOM 1365 CD1 PHE A 85 -6.039 -8.033 3.410 1.00 0.00 C ATOM 1366 CD2 PHE A 85 -7.442 -8.978 5.091 1.00 0.00 C ATOM 1367 CE1 PHE A 85 -6.620 -8.852 2.460 1.00 0.00 C ATOM 1368 CE2 PHE A 85 -8.027 -9.798 4.146 1.00 0.00 C ATOM 1369 CZ PHE A 85 -7.616 -9.736 2.829 1.00 0.00 C ATOM 0 H PHE A 85 -4.896 -4.602 6.807 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.698 -5.556 4.701 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.722 -7.241 5.647 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -6.037 -7.580 6.755 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -5.261 -7.344 3.117 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.766 -9.032 6.120 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -6.296 -8.801 1.431 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -8.806 -10.488 4.437 1.00 0.00 H new ATOM 0 HZ PHE A 85 -8.072 -10.377 2.089 1.00 0.00 H new ATOM 1379 N ARG A 86 -8.323 -6.280 6.825 1.00 0.00 N ATOM 1380 CA ARG A 86 -9.385 -6.108 7.805 1.00 0.00 C ATOM 1381 C ARG A 86 -8.817 -6.044 9.221 1.00 0.00 C ATOM 1382 O ARG A 86 -8.806 -7.041 9.942 1.00 0.00 O ATOM 1383 CB ARG A 86 -10.395 -7.252 7.699 1.00 0.00 C ATOM 1384 CG ARG A 86 -9.785 -8.626 7.930 1.00 0.00 C ATOM 1385 CD ARG A 86 -10.325 -9.655 6.948 1.00 0.00 C ATOM 1386 NE ARG A 86 -11.174 -10.646 7.605 1.00 0.00 N ATOM 1387 CZ ARG A 86 -12.444 -10.428 7.941 1.00 0.00 C ATOM 1388 NH1 ARG A 86 -13.015 -9.258 7.684 1.00 0.00 N ATOM 1389 NH2 ARG A 86 -13.146 -11.384 8.534 1.00 0.00 N ATOM 0 H ARG A 86 -8.441 -7.089 6.215 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.890 -5.165 7.594 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -11.192 -7.091 8.425 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -10.855 -7.229 6.711 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.701 -8.564 7.832 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.995 -8.951 8.949 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.895 -9.149 6.169 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.493 -10.159 6.457 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.770 -11.558 7.819 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.481 -8.519 7.227 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.988 -9.097 7.944 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -12.713 -12.286 8.733 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -14.119 -11.217 8.792 1.00 0.00 H new ATOM 1403 N ASN A 87 -8.339 -4.866 9.608 1.00 0.00 N ATOM 1404 CA ASN A 87 -7.761 -4.668 10.931 1.00 0.00 C ATOM 1405 C ASN A 87 -6.612 -5.643 11.175 1.00 0.00 C ATOM 1406 O ASN A 87 -6.481 -6.206 12.261 1.00 0.00 O ATOM 1407 CB ASN A 87 -8.831 -4.837 12.011 1.00 0.00 C ATOM 1408 CG ASN A 87 -8.599 -3.929 13.203 1.00 0.00 C ATOM 1409 OD1 ASN A 87 -7.478 -3.483 13.447 1.00 0.00 O ATOM 1410 ND2 ASN A 87 -9.660 -3.652 13.951 1.00 0.00 N ATOM 0 H ASN A 87 -8.341 -4.032 9.021 1.00 0.00 H new ATOM 0 HA ASN A 87 -7.367 -3.653 10.979 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -9.811 -4.627 11.583 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -8.845 -5.874 12.345 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -9.565 -3.047 14.766 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -10.570 -4.044 13.710 1.00 0.00 H new ATOM 1417 N LYS A 88 -5.781 -5.834 10.155 1.00 0.00 N ATOM 1418 CA LYS A 88 -4.641 -6.738 10.254 1.00 0.00 C ATOM 1419 C LYS A 88 -3.357 -6.046 9.806 1.00 0.00 C ATOM 1420 O LYS A 88 -3.235 -5.630 8.654 1.00 0.00 O ATOM 1421 CB LYS A 88 -4.881 -7.991 9.410 1.00 0.00 C ATOM 1422 CG LYS A 88 -4.298 -9.256 10.019 1.00 0.00 C ATOM 1423 CD LYS A 88 -5.345 -10.029 10.804 1.00 0.00 C ATOM 1424 CE LYS A 88 -5.323 -9.659 12.278 1.00 0.00 C ATOM 1425 NZ LYS A 88 -4.559 -10.650 13.087 1.00 0.00 N ATOM 0 H LYS A 88 -5.876 -5.374 9.250 1.00 0.00 H new ATOM 0 HA LYS A 88 -4.530 -7.029 11.299 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -5.954 -8.126 9.271 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.448 -7.841 8.421 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -3.893 -9.889 9.229 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.468 -8.996 10.676 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -6.333 -9.826 10.392 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -5.167 -11.099 10.694 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -4.878 -8.671 12.398 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -6.345 -9.595 12.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -4.567 -10.362 14.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -4.999 -11.588 12.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -3.577 -10.692 12.747 1.00 0.00 H new ATOM 1439 N HIS A 89 -2.405 -5.925 10.724 1.00 0.00 N ATOM 1440 CA HIS A 89 -1.131 -5.281 10.422 1.00 0.00 C ATOM 1441 C HIS A 89 -0.314 -6.118 9.442 1.00 0.00 C ATOM 1442 O HIS A 89 -0.095 -7.309 9.658 1.00 0.00 O ATOM 1443 CB HIS A 89 -0.332 -5.058 11.708 1.00 0.00 C ATOM 1444 CG HIS A 89 -0.007 -6.324 12.438 1.00 0.00 C ATOM 1445 ND1 HIS A 89 0.985 -6.409 13.394 1.00 0.00 N ATOM 1446 CD2 HIS A 89 -0.548 -7.563 12.352 1.00 0.00 C ATOM 1447 CE1 HIS A 89 1.039 -7.643 13.861 1.00 0.00 C ATOM 1448 NE2 HIS A 89 0.120 -8.363 13.245 1.00 0.00 N ATOM 0 H HIS A 89 -2.490 -6.264 11.682 1.00 0.00 H new ATOM 0 HA HIS A 89 -1.342 -4.317 9.959 1.00 0.00 H new ATOM 0 HB2 HIS A 89 0.596 -4.540 11.464 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -0.899 -4.402 12.369 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -1.355 -7.865 11.701 1.00 0.00 H new ATOM 0 HE1 HIS A 89 1.720 -8.002 14.619 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -0.064 -9.353 13.406 1.00 0.00 H new ATOM 1457 N ILE A 90 0.133 -5.484 8.362 1.00 0.00 N ATOM 1458 CA ILE A 90 0.927 -6.167 7.348 1.00 0.00 C ATOM 1459 C ILE A 90 1.759 -5.171 6.541 1.00 0.00 C ATOM 1460 O ILE A 90 1.508 -4.947 5.356 1.00 0.00 O ATOM 1461 CB ILE A 90 0.033 -6.982 6.391 1.00 0.00 C ATOM 1462 CG1 ILE A 90 0.888 -7.743 5.374 1.00 0.00 C ATOM 1463 CG2 ILE A 90 -0.958 -6.071 5.683 1.00 0.00 C ATOM 1464 CD1 ILE A 90 0.342 -9.109 5.026 1.00 0.00 C ATOM 0 H ILE A 90 -0.042 -4.498 8.167 1.00 0.00 H new ATOM 0 HA ILE A 90 1.596 -6.850 7.871 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.528 -7.709 6.978 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.968 -7.150 4.463 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.897 -7.855 5.771 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.581 -6.663 5.012 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.589 -5.576 6.421 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -0.416 -5.321 5.108 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.999 -9.589 4.301 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.288 -9.720 5.927 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.655 -9.004 4.599 1.00 0.00 H new ATOM 1476 N MET A 91 2.752 -4.575 7.194 1.00 0.00 N ATOM 1477 CA MET A 91 3.621 -3.603 6.541 1.00 0.00 C ATOM 1478 C MET A 91 4.597 -4.294 5.594 1.00 0.00 C ATOM 1479 O MET A 91 5.770 -4.477 5.920 1.00 0.00 O ATOM 1480 CB MET A 91 4.391 -2.794 7.586 1.00 0.00 C ATOM 1481 CG MET A 91 3.501 -1.930 8.464 1.00 0.00 C ATOM 1482 SD MET A 91 4.258 -1.546 10.055 1.00 0.00 S ATOM 1483 CE MET A 91 2.894 -1.877 11.168 1.00 0.00 C ATOM 0 H MET A 91 2.974 -4.748 8.174 1.00 0.00 H new ATOM 0 HA MET A 91 2.995 -2.928 5.958 1.00 0.00 H new ATOM 0 HB2 MET A 91 4.957 -3.478 8.218 1.00 0.00 H new ATOM 0 HB3 MET A 91 5.115 -2.157 7.079 1.00 0.00 H new ATOM 0 HG2 MET A 91 3.273 -1.001 7.941 1.00 0.00 H new ATOM 0 HG3 MET A 91 2.554 -2.443 8.631 1.00 0.00 H new ATOM 0 HE1 MET A 91 3.207 -1.685 12.194 1.00 0.00 H new ATOM 0 HE2 MET A 91 2.054 -1.229 10.917 1.00 0.00 H new ATOM 0 HE3 MET A 91 2.590 -2.919 11.071 1.00 0.00 H new ATOM 1493 N ILE A 92 4.106 -4.675 4.420 1.00 0.00 N ATOM 1494 CA ILE A 92 4.934 -5.344 3.425 1.00 0.00 C ATOM 1495 C ILE A 92 5.251 -4.412 2.260 1.00 0.00 C ATOM 1496 O ILE A 92 4.348 -3.892 1.604 1.00 0.00 O ATOM 1497 CB ILE A 92 4.249 -6.617 2.886 1.00 0.00 C ATOM 1498 CG1 ILE A 92 5.187 -7.367 1.936 1.00 0.00 C ATOM 1499 CG2 ILE A 92 2.944 -6.266 2.186 1.00 0.00 C ATOM 1500 CD1 ILE A 92 6.352 -8.031 2.638 1.00 0.00 C ATOM 0 H ILE A 92 3.137 -4.531 4.134 1.00 0.00 H new ATOM 0 HA ILE A 92 5.862 -5.627 3.922 1.00 0.00 H new ATOM 0 HB ILE A 92 4.020 -7.269 3.729 1.00 0.00 H new ATOM 0 HG12 ILE A 92 4.617 -8.125 1.399 1.00 0.00 H new ATOM 0 HG13 ILE A 92 5.571 -6.670 1.192 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.475 -7.176 1.812 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.273 -5.776 2.891 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.148 -5.594 1.352 1.00 0.00 H new ATOM 0 HD11 ILE A 92 6.975 -8.543 1.905 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.945 -7.275 3.153 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.976 -8.753 3.363 1.00 0.00 H new ATOM 1512 N ASP A 93 6.540 -4.203 2.008 1.00 0.00 N ATOM 1513 CA ASP A 93 6.975 -3.332 0.923 1.00 0.00 C ATOM 1514 C ASP A 93 6.463 -3.839 -0.421 1.00 0.00 C ATOM 1515 O ASP A 93 5.774 -4.856 -0.492 1.00 0.00 O ATOM 1516 CB ASP A 93 8.501 -3.236 0.898 1.00 0.00 C ATOM 1517 CG ASP A 93 9.164 -4.595 0.781 1.00 0.00 C ATOM 1518 OD1 ASP A 93 8.541 -5.512 0.207 1.00 0.00 O ATOM 1519 OD2 ASP A 93 10.307 -4.740 1.263 1.00 0.00 O ATOM 0 H ASP A 93 7.301 -4.625 2.541 1.00 0.00 H new ATOM 0 HA ASP A 93 6.559 -2.340 1.098 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.809 -2.611 0.060 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.846 -2.743 1.807 1.00 0.00 H new ATOM 1524 N LEU A 94 6.804 -3.122 -1.488 1.00 0.00 N ATOM 1525 CA LEU A 94 6.379 -3.498 -2.831 1.00 0.00 C ATOM 1526 C LEU A 94 6.898 -4.885 -3.201 1.00 0.00 C ATOM 1527 O LEU A 94 6.295 -5.586 -4.013 1.00 0.00 O ATOM 1528 CB LEU A 94 6.870 -2.468 -3.851 1.00 0.00 C ATOM 1529 CG LEU A 94 6.079 -1.159 -3.883 1.00 0.00 C ATOM 1530 CD1 LEU A 94 6.825 -0.102 -4.681 1.00 0.00 C ATOM 1531 CD2 LEU A 94 4.692 -1.391 -4.465 1.00 0.00 C ATOM 0 H LEU A 94 7.374 -2.277 -1.448 1.00 0.00 H new ATOM 0 HA LEU A 94 5.289 -3.523 -2.845 1.00 0.00 H new ATOM 0 HB2 LEU A 94 7.914 -2.238 -3.639 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.838 -2.918 -4.843 1.00 0.00 H new ATOM 0 HG LEU A 94 5.968 -0.798 -2.860 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.246 0.822 -4.692 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.796 0.084 -4.221 1.00 0.00 H new ATOM 0 HD13 LEU A 94 6.969 -0.452 -5.703 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.142 -0.450 -4.481 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.783 -1.775 -5.481 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.156 -2.114 -3.851 1.00 0.00 H new ATOM 1543 N GLY A 95 8.019 -5.274 -2.602 1.00 0.00 N ATOM 1544 CA GLY A 95 8.595 -6.576 -2.884 1.00 0.00 C ATOM 1545 C GLY A 95 10.008 -6.713 -2.352 1.00 0.00 C ATOM 1546 O GLY A 95 10.380 -6.050 -1.383 1.00 0.00 O ATOM 0 H GLY A 95 8.538 -4.712 -1.927 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.967 -7.351 -2.443 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.598 -6.743 -3.961 1.00 0.00 H new ATOM 1550 N THR A 96 10.795 -7.576 -2.985 1.00 0.00 N ATOM 1551 CA THR A 96 12.176 -7.798 -2.570 1.00 0.00 C ATOM 1552 C THR A 96 13.132 -7.641 -3.748 1.00 0.00 C ATOM 1553 O THR A 96 12.727 -7.231 -4.837 1.00 0.00 O ATOM 1554 CB THR A 96 12.327 -9.193 -1.958 1.00 0.00 C ATOM 1555 OG1 THR A 96 11.076 -9.683 -1.511 1.00 0.00 O ATOM 1556 CG2 THR A 96 13.281 -9.229 -0.782 1.00 0.00 C ATOM 0 H THR A 96 10.501 -8.133 -3.787 1.00 0.00 H new ATOM 0 HA THR A 96 12.428 -7.049 -1.820 1.00 0.00 H new ATOM 0 HB THR A 96 12.733 -9.816 -2.755 1.00 0.00 H new ATOM 0 HG1 THR A 96 11.193 -10.576 -1.125 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.343 -10.246 -0.395 1.00 0.00 H new ATOM 0 HG22 THR A 96 14.270 -8.903 -1.105 1.00 0.00 H new ATOM 0 HG23 THR A 96 12.918 -8.564 0.002 1.00 0.00 H new ATOM 1564 N GLY A 97 14.400 -7.968 -3.524 1.00 0.00 N ATOM 1565 CA GLY A 97 15.392 -7.857 -4.576 1.00 0.00 C ATOM 1566 C GLY A 97 16.699 -7.269 -4.080 1.00 0.00 C ATOM 1567 O GLY A 97 17.273 -7.753 -3.105 1.00 0.00 O ATOM 0 H GLY A 97 14.758 -8.308 -2.632 1.00 0.00 H new ATOM 0 HA2 GLY A 97 15.579 -8.843 -5.001 1.00 0.00 H new ATOM 0 HA3 GLY A 97 14.998 -7.234 -5.379 1.00 0.00 H new ATOM 1571 N ASN A 98 17.170 -6.224 -4.752 1.00 0.00 N ATOM 1572 CA ASN A 98 18.416 -5.569 -4.373 1.00 0.00 C ATOM 1573 C ASN A 98 18.333 -5.022 -2.951 1.00 0.00 C ATOM 1574 O ASN A 98 19.334 -4.966 -2.237 1.00 0.00 O ATOM 1575 CB ASN A 98 18.741 -4.438 -5.349 1.00 0.00 C ATOM 1576 CG ASN A 98 19.601 -4.902 -6.508 1.00 0.00 C ATOM 1577 OD1 ASN A 98 19.222 -5.803 -7.256 1.00 0.00 O ATOM 1578 ND2 ASN A 98 20.768 -4.289 -6.662 1.00 0.00 N ATOM 0 H ASN A 98 16.707 -5.812 -5.562 1.00 0.00 H new ATOM 0 HA ASN A 98 19.213 -6.312 -4.411 1.00 0.00 H new ATOM 0 HB2 ASN A 98 17.813 -4.017 -5.735 1.00 0.00 H new ATOM 0 HB3 ASN A 98 19.256 -3.639 -4.816 1.00 0.00 H new ATOM 0 HD21 ASN A 98 21.390 -4.560 -7.424 1.00 0.00 H new ATOM 0 HD22 ASN A 98 21.043 -3.547 -6.019 1.00 0.00 H new ATOM 1585 N ASN A 99 17.132 -4.622 -2.548 1.00 0.00 N ATOM 1586 CA ASN A 99 16.916 -4.079 -1.212 1.00 0.00 C ATOM 1587 C ASN A 99 15.476 -4.306 -0.760 1.00 0.00 C ATOM 1588 O ASN A 99 14.533 -4.057 -1.511 1.00 0.00 O ATOM 1589 CB ASN A 99 17.241 -2.585 -1.186 1.00 0.00 C ATOM 1590 CG ASN A 99 17.542 -2.083 0.213 1.00 0.00 C ATOM 1591 OD1 ASN A 99 17.517 -2.847 1.178 1.00 0.00 O ATOM 1592 ND2 ASN A 99 17.828 -0.792 0.329 1.00 0.00 N ATOM 0 H ASN A 99 16.293 -4.664 -3.127 1.00 0.00 H new ATOM 0 HA ASN A 99 17.582 -4.600 -0.523 1.00 0.00 H new ATOM 0 HB2 ASN A 99 18.098 -2.391 -1.831 1.00 0.00 H new ATOM 0 HB3 ASN A 99 16.400 -2.026 -1.597 1.00 0.00 H new ATOM 0 HD21 ASN A 99 18.039 -0.397 1.245 1.00 0.00 H new ATOM 0 HD22 ASN A 99 17.837 -0.195 -0.498 1.00 0.00 H new ATOM 1599 N ASN A 100 15.315 -4.780 0.471 1.00 0.00 N ATOM 1600 CA ASN A 100 13.989 -5.041 1.022 1.00 0.00 C ATOM 1601 C ASN A 100 13.150 -3.767 1.045 1.00 0.00 C ATOM 1602 O ASN A 100 12.255 -3.587 0.219 1.00 0.00 O ATOM 1603 CB ASN A 100 14.106 -5.614 2.435 1.00 0.00 C ATOM 1604 CG ASN A 100 14.710 -7.006 2.446 1.00 0.00 C ATOM 1605 OD1 ASN A 100 14.691 -7.711 1.437 1.00 0.00 O ATOM 1606 ND2 ASN A 100 15.250 -7.407 3.591 1.00 0.00 N ATOM 0 H ASN A 100 16.085 -4.991 1.106 1.00 0.00 H new ATOM 0 HA ASN A 100 13.493 -5.770 0.382 1.00 0.00 H new ATOM 0 HB2 ASN A 100 14.719 -4.950 3.044 1.00 0.00 H new ATOM 0 HB3 ASN A 100 13.118 -5.646 2.894 1.00 0.00 H new ATOM 0 HD21 ASN A 100 15.672 -8.333 3.659 1.00 0.00 H new ATOM 0 HD22 ASN A 100 15.243 -6.789 4.402 1.00 0.00 H new ATOM 1613 N LYS A 101 13.442 -2.887 2.000 1.00 0.00 N ATOM 1614 CA LYS A 101 12.715 -1.632 2.137 1.00 0.00 C ATOM 1615 C LYS A 101 12.631 -0.892 0.804 1.00 0.00 C ATOM 1616 O LYS A 101 13.544 -0.156 0.433 1.00 0.00 O ATOM 1617 CB LYS A 101 13.388 -0.743 3.184 1.00 0.00 C ATOM 1618 CG LYS A 101 12.885 -0.980 4.598 1.00 0.00 C ATOM 1619 CD LYS A 101 13.558 -2.186 5.234 1.00 0.00 C ATOM 1620 CE LYS A 101 14.999 -1.886 5.611 1.00 0.00 C ATOM 1621 NZ LYS A 101 15.957 -2.384 4.586 1.00 0.00 N ATOM 0 H LYS A 101 14.180 -3.023 2.691 1.00 0.00 H new ATOM 0 HA LYS A 101 11.701 -1.866 2.461 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.464 -0.915 3.157 1.00 0.00 H new ATOM 0 HB3 LYS A 101 13.225 0.302 2.920 1.00 0.00 H new ATOM 0 HG2 LYS A 101 13.073 -0.095 5.205 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.806 -1.131 4.581 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.003 -2.487 6.123 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.530 -3.027 4.541 1.00 0.00 H new ATOM 0 HE2 LYS A 101 15.126 -0.810 5.734 1.00 0.00 H new ATOM 0 HE3 LYS A 101 15.226 -2.345 6.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 16.819 -2.729 5.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 15.519 -3.161 4.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 16.203 -1.610 3.936 1.00 0.00 H new ATOM 1635 N ILE A 102 11.529 -1.095 0.089 1.00 0.00 N ATOM 1636 CA ILE A 102 11.326 -0.448 -1.201 1.00 0.00 C ATOM 1637 C ILE A 102 11.048 1.042 -1.031 1.00 0.00 C ATOM 1638 O ILE A 102 9.902 1.454 -0.856 1.00 0.00 O ATOM 1639 CB ILE A 102 10.161 -1.090 -1.977 1.00 0.00 C ATOM 1640 CG1 ILE A 102 10.331 -2.610 -2.029 1.00 0.00 C ATOM 1641 CG2 ILE A 102 10.077 -0.513 -3.382 1.00 0.00 C ATOM 1642 CD1 ILE A 102 11.549 -3.055 -2.810 1.00 0.00 C ATOM 0 H ILE A 102 10.764 -1.702 0.382 1.00 0.00 H new ATOM 0 HA ILE A 102 12.247 -0.582 -1.769 1.00 0.00 H new ATOM 0 HB ILE A 102 9.230 -0.864 -1.457 1.00 0.00 H new ATOM 0 HG12 ILE A 102 10.401 -2.995 -1.012 1.00 0.00 H new ATOM 0 HG13 ILE A 102 9.441 -3.052 -2.476 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.249 -0.977 -3.917 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.914 0.563 -3.324 1.00 0.00 H new ATOM 0 HG23 ILE A 102 11.008 -0.711 -3.913 1.00 0.00 H new ATOM 0 HD11 ILE A 102 11.607 -4.143 -2.805 1.00 0.00 H new ATOM 0 HD12 ILE A 102 11.472 -2.700 -3.838 1.00 0.00 H new ATOM 0 HD13 ILE A 102 12.447 -2.642 -2.350 1.00 0.00 H new ATOM 1654 N ASN A 103 12.105 1.845 -1.087 1.00 0.00 N ATOM 1655 CA ASN A 103 11.976 3.289 -0.943 1.00 0.00 C ATOM 1656 C ASN A 103 12.231 3.993 -2.273 1.00 0.00 C ATOM 1657 O ASN A 103 11.690 5.066 -2.531 1.00 0.00 O ATOM 1658 CB ASN A 103 12.953 3.805 0.115 1.00 0.00 C ATOM 1659 CG ASN A 103 14.359 3.277 -0.089 1.00 0.00 C ATOM 1660 OD1 ASN A 103 14.685 2.738 -1.147 1.00 0.00 O ATOM 1661 ND2 ASN A 103 15.201 3.427 0.927 1.00 0.00 N ATOM 0 H ASN A 103 13.061 1.519 -1.231 1.00 0.00 H new ATOM 0 HA ASN A 103 10.957 3.509 -0.625 1.00 0.00 H new ATOM 0 HB2 ASN A 103 12.970 4.895 0.089 1.00 0.00 H new ATOM 0 HB3 ASN A 103 12.599 3.515 1.104 1.00 0.00 H new ATOM 0 HD21 ASN A 103 16.160 3.089 0.848 1.00 0.00 H new ATOM 0 HD22 ASN A 103 14.888 3.880 1.786 1.00 0.00 H new ATOM 1668 N TRP A 104 13.059 3.377 -3.114 1.00 0.00 N ATOM 1669 CA TRP A 104 13.385 3.943 -4.418 1.00 0.00 C ATOM 1670 C TRP A 104 12.474 3.378 -5.504 1.00 0.00 C ATOM 1671 O TRP A 104 12.261 4.010 -6.538 1.00 0.00 O ATOM 1672 CB TRP A 104 14.848 3.662 -4.766 1.00 0.00 C ATOM 1673 CG TRP A 104 15.514 4.790 -5.492 1.00 0.00 C ATOM 1674 CD1 TRP A 104 15.528 6.106 -5.125 1.00 0.00 C ATOM 1675 CD2 TRP A 104 16.262 4.704 -6.710 1.00 0.00 C ATOM 1676 NE1 TRP A 104 16.239 6.843 -6.041 1.00 0.00 N ATOM 1677 CE2 TRP A 104 16.700 6.006 -7.024 1.00 0.00 C ATOM 1678 CE3 TRP A 104 16.605 3.654 -7.567 1.00 0.00 C ATOM 1679 CZ2 TRP A 104 17.463 6.282 -8.155 1.00 0.00 C ATOM 1680 CZ3 TRP A 104 17.362 3.931 -8.690 1.00 0.00 C ATOM 1681 CH2 TRP A 104 17.783 5.235 -8.975 1.00 0.00 C ATOM 0 H TRP A 104 13.515 2.487 -2.915 1.00 0.00 H new ATOM 0 HA TRP A 104 13.230 5.021 -4.366 1.00 0.00 H new ATOM 0 HB2 TRP A 104 15.399 3.455 -3.848 1.00 0.00 H new ATOM 0 HB3 TRP A 104 14.902 2.763 -5.380 1.00 0.00 H new ATOM 0 HD1 TRP A 104 15.050 6.508 -4.244 1.00 0.00 H new ATOM 0 HE1 TRP A 104 16.398 7.850 -5.997 1.00 0.00 H new ATOM 0 HE3 TRP A 104 16.284 2.645 -7.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 17.791 7.287 -8.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 17.633 3.128 -9.359 1.00 0.00 H new ATOM 0 HH2 TRP A 104 18.373 5.418 -9.861 1.00 0.00 H new ATOM 1692 N ALA A 105 11.937 2.184 -5.262 1.00 0.00 N ATOM 1693 CA ALA A 105 11.048 1.532 -6.220 1.00 0.00 C ATOM 1694 C ALA A 105 11.802 1.108 -7.476 1.00 0.00 C ATOM 1695 O ALA A 105 12.628 1.856 -7.999 1.00 0.00 O ATOM 1696 CB ALA A 105 9.889 2.452 -6.580 1.00 0.00 C ATOM 0 H ALA A 105 12.102 1.648 -4.410 1.00 0.00 H new ATOM 0 HA ALA A 105 10.650 0.633 -5.750 1.00 0.00 H new ATOM 0 HB1 ALA A 105 9.236 1.952 -7.295 1.00 0.00 H new ATOM 0 HB2 ALA A 105 9.324 2.695 -5.680 1.00 0.00 H new ATOM 0 HB3 ALA A 105 10.277 3.369 -7.023 1.00 0.00 H new ATOM 1702 N MET A 106 11.509 -0.097 -7.953 1.00 0.00 N ATOM 1703 CA MET A 106 12.155 -0.628 -9.149 1.00 0.00 C ATOM 1704 C MET A 106 11.547 -1.973 -9.536 1.00 0.00 C ATOM 1705 O MET A 106 10.948 -2.654 -8.703 1.00 0.00 O ATOM 1706 CB MET A 106 13.659 -0.780 -8.916 1.00 0.00 C ATOM 1707 CG MET A 106 14.474 0.403 -9.415 1.00 0.00 C ATOM 1708 SD MET A 106 16.061 -0.092 -10.113 1.00 0.00 S ATOM 1709 CE MET A 106 16.776 -0.981 -8.733 1.00 0.00 C ATOM 0 H MET A 106 10.827 -0.726 -7.529 1.00 0.00 H new ATOM 0 HA MET A 106 11.993 0.074 -9.967 1.00 0.00 H new ATOM 0 HB2 MET A 106 13.842 -0.913 -7.850 1.00 0.00 H new ATOM 0 HB3 MET A 106 14.006 -1.686 -9.414 1.00 0.00 H new ATOM 0 HG2 MET A 106 13.901 0.941 -10.170 1.00 0.00 H new ATOM 0 HG3 MET A 106 14.644 1.096 -8.591 1.00 0.00 H new ATOM 0 HE1 MET A 106 17.828 -1.181 -8.935 1.00 0.00 H new ATOM 0 HE2 MET A 106 16.688 -0.380 -7.828 1.00 0.00 H new ATOM 0 HE3 MET A 106 16.248 -1.924 -8.595 1.00 0.00 H new ATOM 1719 N GLU A 107 11.703 -2.350 -10.803 1.00 0.00 N ATOM 1720 CA GLU A 107 11.168 -3.615 -11.302 1.00 0.00 C ATOM 1721 C GLU A 107 9.640 -3.600 -11.339 1.00 0.00 C ATOM 1722 O GLU A 107 9.006 -4.633 -11.556 1.00 0.00 O ATOM 1723 CB GLU A 107 11.642 -4.772 -10.428 1.00 0.00 C ATOM 1724 CG GLU A 107 13.144 -4.785 -10.195 1.00 0.00 C ATOM 1725 CD GLU A 107 13.864 -5.776 -11.089 1.00 0.00 C ATOM 1726 OE1 GLU A 107 14.203 -5.405 -12.233 1.00 0.00 O ATOM 1727 OE2 GLU A 107 14.088 -6.923 -10.646 1.00 0.00 O ATOM 0 H GLU A 107 12.196 -1.797 -11.504 1.00 0.00 H new ATOM 0 HA GLU A 107 11.537 -3.749 -12.319 1.00 0.00 H new ATOM 0 HB2 GLU A 107 11.134 -4.720 -9.465 1.00 0.00 H new ATOM 0 HB3 GLU A 107 11.347 -5.712 -10.894 1.00 0.00 H new ATOM 0 HG2 GLU A 107 13.544 -3.786 -10.370 1.00 0.00 H new ATOM 0 HG3 GLU A 107 13.344 -5.030 -9.152 1.00 0.00 H new ATOM 1734 N ASP A 108 9.056 -2.427 -11.120 1.00 0.00 N ATOM 1735 CA ASP A 108 7.604 -2.274 -11.120 1.00 0.00 C ATOM 1736 C ASP A 108 6.971 -2.956 -12.332 1.00 0.00 C ATOM 1737 O ASP A 108 7.619 -3.134 -13.363 1.00 0.00 O ATOM 1738 CB ASP A 108 7.230 -0.790 -11.105 1.00 0.00 C ATOM 1739 CG ASP A 108 7.722 -0.055 -12.336 1.00 0.00 C ATOM 1740 OD1 ASP A 108 7.393 -0.492 -13.459 1.00 0.00 O ATOM 1741 OD2 ASP A 108 8.437 0.956 -12.178 1.00 0.00 O ATOM 0 H ASP A 108 9.568 -1.564 -10.939 1.00 0.00 H new ATOM 0 HA ASP A 108 7.218 -2.754 -10.221 1.00 0.00 H new ATOM 0 HB2 ASP A 108 6.147 -0.692 -11.036 1.00 0.00 H new ATOM 0 HB3 ASP A 108 7.649 -0.322 -10.214 1.00 0.00 H new ATOM 1746 N LYS A 109 5.701 -3.339 -12.188 1.00 0.00 N ATOM 1747 CA LYS A 109 4.949 -4.012 -13.252 1.00 0.00 C ATOM 1748 C LYS A 109 5.159 -5.521 -13.196 1.00 0.00 C ATOM 1749 O LYS A 109 4.216 -6.295 -13.355 1.00 0.00 O ATOM 1750 CB LYS A 109 5.344 -3.478 -14.633 1.00 0.00 C ATOM 1751 CG LYS A 109 4.174 -3.365 -15.598 1.00 0.00 C ATOM 1752 CD LYS A 109 4.334 -2.173 -16.529 1.00 0.00 C ATOM 1753 CE LYS A 109 3.833 -2.490 -17.929 1.00 0.00 C ATOM 1754 NZ LYS A 109 4.081 -1.366 -18.874 1.00 0.00 N ATOM 0 H LYS A 109 5.165 -3.192 -11.333 1.00 0.00 H new ATOM 0 HA LYS A 109 3.892 -3.800 -13.090 1.00 0.00 H new ATOM 0 HB2 LYS A 109 5.804 -2.497 -14.516 1.00 0.00 H new ATOM 0 HB3 LYS A 109 6.099 -4.135 -15.065 1.00 0.00 H new ATOM 0 HG2 LYS A 109 4.096 -4.280 -16.186 1.00 0.00 H new ATOM 0 HG3 LYS A 109 3.245 -3.267 -15.036 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.785 -1.321 -16.129 1.00 0.00 H new ATOM 0 HD3 LYS A 109 5.384 -1.883 -16.574 1.00 0.00 H new ATOM 0 HE2 LYS A 109 4.327 -3.389 -18.297 1.00 0.00 H new ATOM 0 HE3 LYS A 109 2.765 -2.705 -17.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 3.725 -1.621 -19.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 3.589 -0.514 -18.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 5.102 -1.177 -18.928 1.00 0.00 H new ATOM 1768 N GLN A 110 6.399 -5.934 -12.970 1.00 0.00 N ATOM 1769 CA GLN A 110 6.736 -7.348 -12.891 1.00 0.00 C ATOM 1770 C GLN A 110 6.618 -7.859 -11.458 1.00 0.00 C ATOM 1771 O GLN A 110 5.697 -8.606 -11.127 1.00 0.00 O ATOM 1772 CB GLN A 110 8.154 -7.575 -13.415 1.00 0.00 C ATOM 1773 CG GLN A 110 8.204 -8.352 -14.720 1.00 0.00 C ATOM 1774 CD GLN A 110 9.565 -8.966 -14.982 1.00 0.00 C ATOM 1775 OE1 GLN A 110 10.089 -9.716 -14.158 1.00 0.00 O ATOM 1776 NE2 GLN A 110 10.145 -8.649 -16.133 1.00 0.00 N ATOM 0 H GLN A 110 7.191 -5.306 -12.838 1.00 0.00 H new ATOM 0 HA GLN A 110 6.031 -7.904 -13.509 1.00 0.00 H new ATOM 0 HB2 GLN A 110 8.638 -6.609 -13.558 1.00 0.00 H new ATOM 0 HB3 GLN A 110 8.730 -8.111 -12.660 1.00 0.00 H new ATOM 0 HG2 GLN A 110 7.452 -9.141 -14.698 1.00 0.00 H new ATOM 0 HG3 GLN A 110 7.945 -7.688 -15.544 1.00 0.00 H new ATOM 0 HE21 GLN A 110 9.674 -8.023 -16.786 1.00 0.00 H new ATOM 0 HE22 GLN A 110 11.062 -9.031 -16.364 1.00 0.00 H new ATOM 1785 N GLU A 111 7.561 -7.453 -10.613 1.00 0.00 N ATOM 1786 CA GLU A 111 7.571 -7.870 -9.215 1.00 0.00 C ATOM 1787 C GLU A 111 6.259 -7.511 -8.523 1.00 0.00 C ATOM 1788 O GLU A 111 5.829 -8.193 -7.594 1.00 0.00 O ATOM 1789 CB GLU A 111 8.742 -7.221 -8.476 1.00 0.00 C ATOM 1790 CG GLU A 111 9.353 -8.109 -7.404 1.00 0.00 C ATOM 1791 CD GLU A 111 10.573 -7.485 -6.755 1.00 0.00 C ATOM 1792 OE1 GLU A 111 10.402 -6.718 -5.784 1.00 0.00 O ATOM 1793 OE2 GLU A 111 11.700 -7.763 -7.219 1.00 0.00 O ATOM 0 H GLU A 111 8.329 -6.835 -10.873 1.00 0.00 H new ATOM 0 HA GLU A 111 7.687 -8.954 -9.190 1.00 0.00 H new ATOM 0 HB2 GLU A 111 9.514 -6.954 -9.198 1.00 0.00 H new ATOM 0 HB3 GLU A 111 8.401 -6.293 -8.017 1.00 0.00 H new ATOM 0 HG2 GLU A 111 8.605 -8.316 -6.639 1.00 0.00 H new ATOM 0 HG3 GLU A 111 9.630 -9.066 -7.845 1.00 0.00 H new ATOM 1800 N MET A 112 5.627 -6.437 -8.984 1.00 0.00 N ATOM 1801 CA MET A 112 4.365 -5.989 -8.410 1.00 0.00 C ATOM 1802 C MET A 112 3.253 -6.996 -8.688 1.00 0.00 C ATOM 1803 O MET A 112 2.673 -7.566 -7.765 1.00 0.00 O ATOM 1804 CB MET A 112 3.984 -4.617 -8.970 1.00 0.00 C ATOM 1805 CG MET A 112 5.111 -3.602 -8.899 1.00 0.00 C ATOM 1806 SD MET A 112 5.646 -3.273 -7.210 1.00 0.00 S ATOM 1807 CE MET A 112 7.218 -2.468 -7.502 1.00 0.00 C ATOM 0 H MET A 112 5.969 -5.861 -9.753 1.00 0.00 H new ATOM 0 HA MET A 112 4.493 -5.908 -7.331 1.00 0.00 H new ATOM 0 HB2 MET A 112 3.672 -4.731 -10.008 1.00 0.00 H new ATOM 0 HB3 MET A 112 3.125 -4.234 -8.419 1.00 0.00 H new ATOM 0 HG2 MET A 112 5.959 -3.965 -9.480 1.00 0.00 H new ATOM 0 HG3 MET A 112 4.785 -2.670 -9.360 1.00 0.00 H new ATOM 0 HE1 MET A 112 7.746 -2.347 -6.556 1.00 0.00 H new ATOM 0 HE2 MET A 112 7.819 -3.077 -8.177 1.00 0.00 H new ATOM 0 HE3 MET A 112 7.048 -1.489 -7.951 1.00 0.00 H new ATOM 1817 N VAL A 113 2.964 -7.216 -9.967 1.00 0.00 N ATOM 1818 CA VAL A 113 1.924 -8.160 -10.365 1.00 0.00 C ATOM 1819 C VAL A 113 2.079 -9.489 -9.628 1.00 0.00 C ATOM 1820 O VAL A 113 1.092 -10.122 -9.250 1.00 0.00 O ATOM 1821 CB VAL A 113 1.956 -8.417 -11.886 1.00 0.00 C ATOM 1822 CG1 VAL A 113 0.923 -9.463 -12.284 1.00 0.00 C ATOM 1823 CG2 VAL A 113 1.727 -7.121 -12.649 1.00 0.00 C ATOM 0 H VAL A 113 3.435 -6.754 -10.745 1.00 0.00 H new ATOM 0 HA VAL A 113 0.966 -7.712 -10.100 1.00 0.00 H new ATOM 0 HB VAL A 113 2.942 -8.802 -12.145 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.966 -9.626 -13.361 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.135 -10.399 -11.767 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.072 -9.114 -12.009 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.753 -7.320 -13.720 1.00 0.00 H new ATOM 0 HG22 VAL A 113 0.755 -6.707 -12.380 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.509 -6.406 -12.394 1.00 0.00 H new ATOM 1833 N ASP A 114 3.325 -9.903 -9.428 1.00 0.00 N ATOM 1834 CA ASP A 114 3.615 -11.155 -8.740 1.00 0.00 C ATOM 1835 C ASP A 114 3.386 -11.026 -7.236 1.00 0.00 C ATOM 1836 O ASP A 114 2.834 -11.929 -6.606 1.00 0.00 O ATOM 1837 CB ASP A 114 5.057 -11.585 -9.011 1.00 0.00 C ATOM 1838 CG ASP A 114 5.210 -12.288 -10.346 1.00 0.00 C ATOM 1839 OD1 ASP A 114 4.836 -13.477 -10.437 1.00 0.00 O ATOM 1840 OD2 ASP A 114 5.705 -11.652 -11.299 1.00 0.00 O ATOM 0 H ASP A 114 4.151 -9.389 -9.733 1.00 0.00 H new ATOM 0 HA ASP A 114 2.934 -11.914 -9.125 1.00 0.00 H new ATOM 0 HB2 ASP A 114 5.705 -10.709 -8.989 1.00 0.00 H new ATOM 0 HB3 ASP A 114 5.391 -12.249 -8.214 1.00 0.00 H new ATOM 1845 N ILE A 115 3.817 -9.907 -6.663 1.00 0.00 N ATOM 1846 CA ILE A 115 3.658 -9.679 -5.231 1.00 0.00 C ATOM 1847 C ILE A 115 2.189 -9.508 -4.855 1.00 0.00 C ATOM 1848 O ILE A 115 1.712 -10.104 -3.889 1.00 0.00 O ATOM 1849 CB ILE A 115 4.473 -8.448 -4.752 1.00 0.00 C ATOM 1850 CG1 ILE A 115 4.988 -8.680 -3.330 1.00 0.00 C ATOM 1851 CG2 ILE A 115 3.651 -7.161 -4.818 1.00 0.00 C ATOM 1852 CD1 ILE A 115 3.888 -8.761 -2.295 1.00 0.00 C ATOM 0 H ILE A 115 4.277 -9.147 -7.165 1.00 0.00 H new ATOM 0 HA ILE A 115 4.046 -10.564 -4.727 1.00 0.00 H new ATOM 0 HB ILE A 115 5.321 -8.328 -5.426 1.00 0.00 H new ATOM 0 HG12 ILE A 115 5.566 -9.604 -3.308 1.00 0.00 H new ATOM 0 HG13 ILE A 115 5.669 -7.872 -3.062 1.00 0.00 H new ATOM 0 HG21 ILE A 115 4.258 -6.324 -4.474 1.00 0.00 H new ATOM 0 HG22 ILE A 115 3.336 -6.983 -5.846 1.00 0.00 H new ATOM 0 HG23 ILE A 115 2.772 -7.258 -4.181 1.00 0.00 H new ATOM 0 HD11 ILE A 115 4.326 -8.926 -1.311 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.324 -7.828 -2.289 1.00 0.00 H new ATOM 0 HD13 ILE A 115 3.220 -9.587 -2.538 1.00 0.00 H new ATOM 1864 N ILE A 116 1.477 -8.685 -5.618 1.00 0.00 N ATOM 1865 CA ILE A 116 0.069 -8.433 -5.351 1.00 0.00 C ATOM 1866 C ILE A 116 -0.740 -9.724 -5.398 1.00 0.00 C ATOM 1867 O ILE A 116 -1.659 -9.922 -4.604 1.00 0.00 O ATOM 1868 CB ILE A 116 -0.526 -7.431 -6.360 1.00 0.00 C ATOM 1869 CG1 ILE A 116 0.343 -6.177 -6.442 1.00 0.00 C ATOM 1870 CG2 ILE A 116 -1.953 -7.070 -5.969 1.00 0.00 C ATOM 1871 CD1 ILE A 116 0.634 -5.741 -7.859 1.00 0.00 C ATOM 0 H ILE A 116 1.852 -8.184 -6.423 1.00 0.00 H new ATOM 0 HA ILE A 116 0.010 -8.006 -4.350 1.00 0.00 H new ATOM 0 HB ILE A 116 -0.546 -7.899 -7.344 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -0.155 -5.364 -5.914 1.00 0.00 H new ATOM 0 HG13 ILE A 116 1.285 -6.362 -5.926 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -2.360 -6.362 -6.691 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -2.567 -7.971 -5.959 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -1.955 -6.619 -4.977 1.00 0.00 H new ATOM 0 HD11 ILE A 116 1.255 -4.845 -7.844 1.00 0.00 H new ATOM 0 HD12 ILE A 116 1.160 -6.538 -8.384 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -0.303 -5.524 -8.373 1.00 0.00 H new ATOM 1883 N GLU A 117 -0.392 -10.600 -6.335 1.00 0.00 N ATOM 1884 CA GLU A 117 -1.087 -11.873 -6.488 1.00 0.00 C ATOM 1885 C GLU A 117 -0.957 -12.723 -5.227 1.00 0.00 C ATOM 1886 O GLU A 117 -1.951 -13.210 -4.691 1.00 0.00 O ATOM 1887 CB GLU A 117 -0.535 -12.638 -7.692 1.00 0.00 C ATOM 1888 CG GLU A 117 -1.592 -13.428 -8.447 1.00 0.00 C ATOM 1889 CD GLU A 117 -1.374 -13.406 -9.947 1.00 0.00 C ATOM 1890 OE1 GLU A 117 -1.571 -12.337 -10.560 1.00 0.00 O ATOM 1891 OE2 GLU A 117 -1.003 -14.460 -10.508 1.00 0.00 O ATOM 0 H GLU A 117 0.367 -10.452 -7.000 1.00 0.00 H new ATOM 0 HA GLU A 117 -2.144 -11.662 -6.653 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -0.064 -11.932 -8.376 1.00 0.00 H new ATOM 0 HB3 GLU A 117 0.244 -13.321 -7.352 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -1.587 -14.461 -8.098 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -2.577 -13.019 -8.220 1.00 0.00 H new ATOM 1898 N THR A 118 0.274 -12.899 -4.761 1.00 0.00 N ATOM 1899 CA THR A 118 0.533 -13.695 -3.566 1.00 0.00 C ATOM 1900 C THR A 118 -0.116 -13.066 -2.336 1.00 0.00 C ATOM 1901 O THR A 118 -0.533 -13.770 -1.416 1.00 0.00 O ATOM 1902 CB THR A 118 2.038 -13.842 -3.342 1.00 0.00 C ATOM 1903 OG1 THR A 118 2.739 -13.751 -4.571 1.00 0.00 O ATOM 1904 CG2 THR A 118 2.421 -15.153 -2.691 1.00 0.00 C ATOM 0 H THR A 118 1.109 -12.502 -5.192 1.00 0.00 H new ATOM 0 HA THR A 118 0.096 -14.682 -3.719 1.00 0.00 H new ATOM 0 HB THR A 118 2.311 -13.028 -2.670 1.00 0.00 H new ATOM 0 HG1 THR A 118 3.701 -13.846 -4.407 1.00 0.00 H new ATOM 0 HG21 THR A 118 3.502 -15.192 -2.561 1.00 0.00 H new ATOM 0 HG22 THR A 118 1.935 -15.232 -1.718 1.00 0.00 H new ATOM 0 HG23 THR A 118 2.101 -15.981 -3.324 1.00 0.00 H new ATOM 1912 N VAL A 119 -0.196 -11.740 -2.325 1.00 0.00 N ATOM 1913 CA VAL A 119 -0.790 -11.020 -1.205 1.00 0.00 C ATOM 1914 C VAL A 119 -2.313 -11.117 -1.232 1.00 0.00 C ATOM 1915 O VAL A 119 -2.935 -11.541 -0.257 1.00 0.00 O ATOM 1916 CB VAL A 119 -0.380 -9.535 -1.212 1.00 0.00 C ATOM 1917 CG1 VAL A 119 -0.911 -8.824 0.025 1.00 0.00 C ATOM 1918 CG2 VAL A 119 1.132 -9.398 -1.305 1.00 0.00 C ATOM 0 H VAL A 119 0.143 -11.142 -3.079 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.416 -11.488 -0.294 1.00 0.00 H new ATOM 0 HB VAL A 119 -0.820 -9.062 -2.090 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -0.610 -7.777 -0.000 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -1.999 -8.889 0.043 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -0.505 -9.297 0.919 1.00 0.00 H new ATOM 0 HG21 VAL A 119 1.402 -8.342 -1.309 1.00 0.00 H new ATOM 0 HG22 VAL A 119 1.595 -9.888 -0.449 1.00 0.00 H new ATOM 0 HG23 VAL A 119 1.484 -9.866 -2.225 1.00 0.00 H new ATOM 1928 N TYR A 120 -2.908 -10.716 -2.349 1.00 0.00 N ATOM 1929 CA TYR A 120 -4.359 -10.753 -2.499 1.00 0.00 C ATOM 1930 C TYR A 120 -4.861 -12.186 -2.610 1.00 0.00 C ATOM 1931 O TYR A 120 -5.632 -12.653 -1.772 1.00 0.00 O ATOM 1932 CB TYR A 120 -4.787 -9.951 -3.732 1.00 0.00 C ATOM 1933 CG TYR A 120 -4.456 -8.470 -3.662 1.00 0.00 C ATOM 1934 CD1 TYR A 120 -3.793 -7.926 -2.565 1.00 0.00 C ATOM 1935 CD2 TYR A 120 -4.809 -7.618 -4.701 1.00 0.00 C ATOM 1936 CE1 TYR A 120 -3.494 -6.578 -2.509 1.00 0.00 C ATOM 1937 CE2 TYR A 120 -4.512 -6.269 -4.651 1.00 0.00 C ATOM 1938 CZ TYR A 120 -3.855 -5.754 -3.554 1.00 0.00 C ATOM 1939 OH TYR A 120 -3.557 -4.411 -3.501 1.00 0.00 O ATOM 0 H TYR A 120 -2.409 -10.361 -3.165 1.00 0.00 H new ATOM 0 HA TYR A 120 -4.801 -10.303 -1.610 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -4.306 -10.377 -4.613 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -5.862 -10.065 -3.869 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -3.508 -8.568 -1.745 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -5.324 -8.016 -5.562 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -2.980 -6.172 -1.651 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -4.793 -5.621 -5.468 1.00 0.00 H new ATOM 0 HH TYR A 120 -3.879 -3.972 -4.316 1.00 0.00 H new ATOM 1949 N ARG A 121 -4.419 -12.872 -3.651 1.00 0.00 N ATOM 1950 CA ARG A 121 -4.817 -14.257 -3.886 1.00 0.00 C ATOM 1951 C ARG A 121 -4.475 -15.134 -2.686 1.00 0.00 C ATOM 1952 O ARG A 121 -5.190 -16.088 -2.378 1.00 0.00 O ATOM 1953 CB ARG A 121 -4.133 -14.801 -5.141 1.00 0.00 C ATOM 1954 CG ARG A 121 -4.839 -16.005 -5.744 1.00 0.00 C ATOM 1955 CD ARG A 121 -4.879 -15.926 -7.262 1.00 0.00 C ATOM 1956 NE ARG A 121 -6.058 -16.591 -7.814 1.00 0.00 N ATOM 1957 CZ ARG A 121 -6.473 -16.441 -9.069 1.00 0.00 C ATOM 1958 NH1 ARG A 121 -5.810 -15.652 -9.905 1.00 0.00 N ATOM 1959 NH2 ARG A 121 -7.555 -17.082 -9.490 1.00 0.00 N ATOM 0 H ARG A 121 -3.782 -12.494 -4.352 1.00 0.00 H new ATOM 0 HA ARG A 121 -5.897 -14.277 -4.031 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -4.080 -14.009 -5.888 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -3.107 -15.077 -4.895 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -4.327 -16.918 -5.440 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -5.855 -16.064 -5.355 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -4.874 -14.881 -7.571 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -3.979 -16.384 -7.673 1.00 0.00 H new ATOM 0 HE ARG A 121 -6.594 -17.206 -7.201 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -4.977 -15.157 -9.587 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -6.133 -15.541 -10.866 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -8.069 -17.690 -8.852 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -7.874 -16.967 -10.452 1.00 0.00 H new ATOM 1973 N GLY A 122 -3.380 -14.804 -2.011 1.00 0.00 N ATOM 1974 CA GLY A 122 -2.963 -15.570 -0.853 1.00 0.00 C ATOM 1975 C GLY A 122 -3.730 -15.190 0.398 1.00 0.00 C ATOM 1976 O GLY A 122 -4.272 -16.052 1.089 1.00 0.00 O ATOM 0 H GLY A 122 -2.773 -14.018 -2.246 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -3.104 -16.632 -1.054 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -1.897 -15.416 -0.683 1.00 0.00 H new ATOM 1980 N ALA A 123 -3.777 -13.894 0.688 1.00 0.00 N ATOM 1981 CA ALA A 123 -4.483 -13.397 1.863 1.00 0.00 C ATOM 1982 C ALA A 123 -5.940 -13.080 1.535 1.00 0.00 C ATOM 1983 O ALA A 123 -6.430 -11.991 1.832 1.00 0.00 O ATOM 1984 CB ALA A 123 -3.783 -12.167 2.419 1.00 0.00 C ATOM 0 H ALA A 123 -3.334 -13.168 0.125 1.00 0.00 H new ATOM 0 HA ALA A 123 -4.472 -14.180 2.622 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -4.321 -11.807 3.296 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -2.762 -12.425 2.701 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -3.763 -11.385 1.660 1.00 0.00 H new ATOM 1990 N ARG A 124 -6.627 -14.038 0.923 1.00 0.00 N ATOM 1991 CA ARG A 124 -8.027 -13.860 0.556 1.00 0.00 C ATOM 1992 C ARG A 124 -8.922 -13.906 1.789 1.00 0.00 C ATOM 1993 O ARG A 124 -9.436 -12.881 2.235 1.00 0.00 O ATOM 1994 CB ARG A 124 -8.456 -14.936 -0.442 1.00 0.00 C ATOM 1995 CG ARG A 124 -7.980 -14.676 -1.862 1.00 0.00 C ATOM 1996 CD ARG A 124 -8.288 -15.849 -2.777 1.00 0.00 C ATOM 1997 NE ARG A 124 -8.678 -15.412 -4.116 1.00 0.00 N ATOM 1998 CZ ARG A 124 -9.253 -16.205 -5.017 1.00 0.00 C ATOM 1999 NH1 ARG A 124 -9.507 -17.475 -4.727 1.00 0.00 N ATOM 2000 NH2 ARG A 124 -9.575 -15.726 -6.211 1.00 0.00 N ATOM 0 H ARG A 124 -6.237 -14.946 0.670 1.00 0.00 H new ATOM 0 HA ARG A 124 -8.133 -12.881 0.089 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -8.072 -15.901 -0.110 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -9.544 -15.008 -0.440 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -8.459 -13.776 -2.248 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -6.906 -14.489 -1.858 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -7.412 -16.494 -2.847 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -9.090 -16.447 -2.343 1.00 0.00 H new ATOM 0 HE ARG A 124 -8.499 -14.442 -4.375 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -9.261 -17.848 -3.810 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -9.948 -18.078 -5.421 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -9.382 -14.751 -6.438 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -10.016 -16.333 -6.902 1.00 0.00 H new ATOM 2014 N LYS A 125 -9.105 -15.104 2.336 1.00 0.00 N ATOM 2015 CA LYS A 125 -9.939 -15.285 3.519 1.00 0.00 C ATOM 2016 C LYS A 125 -9.085 -15.618 4.739 1.00 0.00 C ATOM 2017 O LYS A 125 -9.048 -14.860 5.708 1.00 0.00 O ATOM 2018 CB LYS A 125 -10.964 -16.395 3.281 1.00 0.00 C ATOM 2019 CG LYS A 125 -11.683 -16.282 1.948 1.00 0.00 C ATOM 2020 CD LYS A 125 -12.970 -17.093 1.939 1.00 0.00 C ATOM 2021 CE LYS A 125 -13.951 -16.592 2.986 1.00 0.00 C ATOM 2022 NZ LYS A 125 -13.906 -17.415 4.226 1.00 0.00 N ATOM 0 H LYS A 125 -8.687 -15.963 1.979 1.00 0.00 H new ATOM 0 HA LYS A 125 -10.465 -14.350 3.710 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -10.460 -17.360 3.332 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -11.700 -16.377 4.084 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -11.909 -15.236 1.743 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -11.027 -16.629 1.149 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -13.429 -17.037 0.952 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -12.741 -18.142 2.126 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -13.723 -15.554 3.230 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -14.961 -16.609 2.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -14.768 -17.993 4.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -13.073 -18.037 4.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -13.845 -16.790 5.055 1.00 0.00 H new ATOM 2036 N GLY A 126 -8.402 -16.757 4.683 1.00 0.00 N ATOM 2037 CA GLY A 126 -7.559 -17.169 5.790 1.00 0.00 C ATOM 2038 C GLY A 126 -7.367 -18.673 5.843 1.00 0.00 C ATOM 2039 O GLY A 126 -8.322 -19.433 5.679 1.00 0.00 O ATOM 0 H GLY A 126 -8.417 -17.401 3.892 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -6.587 -16.684 5.702 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -8.002 -16.829 6.726 1.00 0.00 H new ATOM 2043 N ARG A 127 -6.131 -19.102 6.073 1.00 0.00 N ATOM 2044 CA ARG A 127 -5.817 -20.524 6.148 1.00 0.00 C ATOM 2045 C ARG A 127 -4.685 -20.780 7.137 1.00 0.00 C ATOM 2046 O ARG A 127 -4.792 -21.640 8.012 1.00 0.00 O ATOM 2047 CB ARG A 127 -5.434 -21.056 4.766 1.00 0.00 C ATOM 2048 CG ARG A 127 -6.620 -21.550 3.954 1.00 0.00 C ATOM 2049 CD ARG A 127 -6.261 -21.713 2.486 1.00 0.00 C ATOM 2050 NE ARG A 127 -5.467 -22.916 2.247 1.00 0.00 N ATOM 2051 CZ ARG A 127 -5.311 -23.474 1.049 1.00 0.00 C ATOM 2052 NH1 ARG A 127 -5.892 -22.943 -0.020 1.00 0.00 N ATOM 2053 NH2 ARG A 127 -4.571 -24.567 0.919 1.00 0.00 N ATOM 0 H ARG A 127 -5.330 -18.485 6.211 1.00 0.00 H new ATOM 0 HA ARG A 127 -6.706 -21.049 6.498 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -4.927 -20.267 4.210 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -4.721 -21.872 4.885 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -6.964 -22.504 4.354 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -7.447 -20.847 4.051 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -7.174 -21.757 1.892 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -5.704 -20.838 2.150 1.00 0.00 H new ATOM 0 HE ARG A 127 -5.006 -23.353 3.045 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -6.462 -22.102 0.074 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -5.768 -23.376 -0.935 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -4.122 -24.979 1.737 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -4.451 -24.995 0.001 1.00 0.00 H new ATOM 2067 N GLY A 128 -3.598 -20.028 6.992 1.00 0.00 N ATOM 2068 CA GLY A 128 -2.461 -20.188 7.878 1.00 0.00 C ATOM 2069 C GLY A 128 -1.538 -18.987 7.862 1.00 0.00 C ATOM 2070 O GLY A 128 -1.398 -18.361 6.791 1.00 0.02 O ATOM 2071 OXT GLY A 128 -0.955 -18.670 8.921 1.00 0.02 O ATOM 0 H GLY A 128 -3.485 -19.310 6.276 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -2.818 -20.354 8.895 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -1.901 -21.077 7.587 1.00 0.00 H new TER 2075 GLY A 128