USER MOD reduce.3.24.130724 H: found=0, std=0, add=1319, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1316 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 114 LYS NZ :NH3+ 158:sc= 1.15 (180deg=0) USER MOD Set 1.2: A 171 HIS : no HD1:sc= 0.794 K(o=1.9,f=-3.2) USER MOD Set 2.1: A 105 HIS : no HE2:sc= 0.0686 X(o=0.14,f=0.075) USER MOD Set 2.2: A 118 TYR OH : rot -67:sc= 0.0667 USER MOD Set 3.1: A 90 GLN : amide:sc= 1.07 K(o=1.6,f=-3.8!) USER MOD Set 3.2: A 148 ASN : amide:sc= 0.816 K(o=1.6,f=-4.6!) USER MOD Set 3.3: A 149 GLN :FLIP amide:sc= -0.323 F(o=-0.7,f=1.6) USER MOD Set 4.1: A 9 SER OG : rot 132:sc= 0.736 USER MOD Set 4.2: A 14 THR OG1 : rot -60:sc= 0.647 USER MOD Set 5.1: A 1 MET CE :methyl -177:sc= 0 (180deg=-0.0169) USER MOD Set 5.2: A 3 MET CE :methyl -159:sc= -1.63 (180deg=-3.09) USER MOD Single : A 1 MET N :NH3+ -156:sc= 0.192 (180deg=0.058) USER MOD Single : A 2 ASN : amide:sc= 0.301 K(o=0.3,f=-6.1!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0.113 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0764 USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl 157:sc= -0.184 (180deg=-0.755) USER MOD Single : A 20 LYS NZ :NH3+ 161:sc= 1.27 (180deg=1.19) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -0.355 K(o=-0.36,f=-4.9!) USER MOD Single : A 34 ASN : amide:sc= -0.0254 K(o=-0.025,f=-1.2) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -168:sc= -0.889 (180deg=-1.8) USER MOD Single : A 45 GLN : amide:sc= 0.122 X(o=0.12,f=-0.011) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 80:sc= 0.307 USER MOD Single : A 62 GLN : amide:sc= -1.51 X(o=-1.5,f=-1.1) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ -158:sc= 2.16 (180deg=1.61) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl -172:sc= -0.923 (180deg=-1.44) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot -91:sc= 0.044 USER MOD Single : A 111 LYS NZ :NH3+ 178:sc= 1.42 (180deg=1.36) USER MOD Single : A 121 THR OG1 : rot 120:sc= -0.0819 USER MOD Single : A 124 TYR OH : rot 14:sc= 0.851 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 163:sc= 1.01 USER MOD Single : A 130 LYS NZ :NH3+ 174:sc= 1.25 (180deg=1.22) USER MOD Single : A 137 GLN : amide:sc= -0.0441 X(o=-0.044,f=-0.3) USER MOD Single : A 147 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 153 SER OG : rot 170:sc= 1.09 USER MOD Single : A 158 GLN : amide:sc= 0.0402 X(o=0.04,f=-0.43) USER MOD Single : A 159 SER OG : rot 180:sc= 0 USER MOD Single : A 161 CYS SG : rot 79:sc= -0.7 USER MOD Single : A 163 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 166 ASN : amide:sc= 0.694 K(o=0.69,f=0) USER MOD Single : A 168 MET CE :methyl -165:sc= -0.655 (180deg=-1.42) USER MOD Single : A 172 TYR OH : rot -147:sc= 0.95 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.396 1.772 0.833 1.00 0.00 N ATOM 2 CA MET A 1 2.385 0.958 -0.423 1.00 0.00 C ATOM 3 C MET A 1 0.939 0.626 -0.864 1.00 0.00 C ATOM 4 O MET A 1 -0.017 0.975 -0.171 1.00 0.00 O ATOM 5 CB MET A 1 3.317 -0.287 -0.332 1.00 0.00 C ATOM 6 CG MET A 1 2.711 -1.562 0.281 1.00 0.00 C ATOM 7 SD MET A 1 2.104 -1.405 1.982 1.00 0.00 S ATOM 8 CE MET A 1 1.211 -2.973 2.110 1.00 0.00 C ATOM 0 H1 MET A 1 3.283 2.312 0.889 1.00 0.00 H new ATOM 0 H2 MET A 1 1.590 2.429 0.828 1.00 0.00 H new ATOM 0 H3 MET A 1 2.322 1.141 1.656 1.00 0.00 H new ATOM 0 HA MET A 1 2.812 1.568 -1.219 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.665 -0.525 -1.337 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.195 -0.013 0.253 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.886 -1.890 -0.351 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.465 -2.349 0.255 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.719 -3.033 3.081 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.462 -3.031 1.320 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.913 -3.801 2.007 1.00 0.00 H new ATOM 20 N ASN A 2 0.762 -0.033 -2.019 1.00 0.00 N ATOM 21 CA ASN A 2 -0.539 -0.302 -2.648 1.00 0.00 C ATOM 22 C ASN A 2 -0.718 -1.790 -2.943 1.00 0.00 C ATOM 23 O ASN A 2 0.255 -2.544 -2.941 1.00 0.00 O ATOM 24 CB ASN A 2 -0.654 0.500 -3.957 1.00 0.00 C ATOM 25 CG ASN A 2 0.248 -0.023 -5.077 1.00 0.00 C ATOM 26 OD1 ASN A 2 1.336 -0.543 -4.865 1.00 0.00 O ATOM 27 ND2 ASN A 2 -0.205 0.077 -6.307 1.00 0.00 N ATOM 0 H ASN A 2 1.545 -0.405 -2.557 1.00 0.00 H new ATOM 0 HA ASN A 2 -1.322 0.003 -1.953 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -1.690 0.479 -4.296 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -0.405 1.542 -3.758 1.00 0.00 H new ATOM 0 HD21 ASN A 2 0.350 -0.279 -7.085 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -1.111 0.510 -6.483 1.00 0.00 H new ATOM 34 N MET A 3 -1.950 -2.211 -3.249 1.00 0.00 N ATOM 35 CA MET A 3 -2.262 -3.596 -3.590 1.00 0.00 C ATOM 36 C MET A 3 -3.097 -3.680 -4.860 1.00 0.00 C ATOM 37 O MET A 3 -4.180 -3.105 -4.922 1.00 0.00 O ATOM 38 CB MET A 3 -3.007 -4.312 -2.445 1.00 0.00 C ATOM 39 CG MET A 3 -2.575 -3.914 -1.036 1.00 0.00 C ATOM 40 SD MET A 3 -3.370 -4.925 0.229 1.00 0.00 S ATOM 41 CE MET A 3 -2.920 -3.894 1.637 1.00 0.00 C ATOM 0 H MET A 3 -2.761 -1.593 -3.266 1.00 0.00 H new ATOM 0 HA MET A 3 -1.308 -4.097 -3.755 1.00 0.00 H new ATOM 0 HB2 MET A 3 -4.074 -4.115 -2.549 1.00 0.00 H new ATOM 0 HB3 MET A 3 -2.868 -5.387 -2.560 1.00 0.00 H new ATOM 0 HG2 MET A 3 -1.493 -4.010 -0.949 1.00 0.00 H new ATOM 0 HG3 MET A 3 -2.817 -2.865 -0.866 1.00 0.00 H new ATOM 0 HE1 MET A 3 -2.972 -4.485 2.552 1.00 0.00 H new ATOM 0 HE2 MET A 3 -1.905 -3.519 1.504 1.00 0.00 H new ATOM 0 HE3 MET A 3 -3.611 -3.054 1.708 1.00 0.00 H new ATOM 51 N GLY A 4 -2.618 -4.424 -5.853 1.00 0.00 N ATOM 52 CA GLY A 4 -3.428 -4.812 -7.004 1.00 0.00 C ATOM 53 C GLY A 4 -4.166 -6.088 -6.619 1.00 0.00 C ATOM 54 O GLY A 4 -3.678 -6.819 -5.761 1.00 0.00 O ATOM 0 H GLY A 4 -1.660 -4.774 -5.883 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.133 -4.022 -7.263 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.800 -4.979 -7.879 1.00 0.00 H new ATOM 58 N LEU A 5 -5.329 -6.379 -7.202 1.00 0.00 N ATOM 59 CA LEU A 5 -6.165 -7.511 -6.781 1.00 0.00 C ATOM 60 C LEU A 5 -6.749 -8.108 -8.051 1.00 0.00 C ATOM 61 O LEU A 5 -7.735 -7.579 -8.563 1.00 0.00 O ATOM 62 CB LEU A 5 -7.235 -6.973 -5.806 1.00 0.00 C ATOM 63 CG LEU A 5 -8.086 -8.003 -5.035 1.00 0.00 C ATOM 64 CD1 LEU A 5 -9.134 -7.221 -4.254 1.00 0.00 C ATOM 65 CD2 LEU A 5 -8.792 -9.051 -5.896 1.00 0.00 C ATOM 0 H LEU A 5 -5.720 -5.842 -7.976 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.619 -8.292 -6.253 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -6.734 -6.338 -5.075 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -7.913 -6.334 -6.372 1.00 0.00 H new ATOM 0 HG LEU A 5 -7.401 -8.571 -4.405 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -9.761 -7.913 -3.692 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -8.639 -6.538 -3.564 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -9.754 -6.651 -4.946 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -9.362 -9.724 -5.255 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -9.468 -8.555 -6.592 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -8.051 -9.622 -6.455 1.00 0.00 H new ATOM 77 N PHE A 6 -6.120 -9.157 -8.590 1.00 0.00 N ATOM 78 CA PHE A 6 -6.466 -9.672 -9.907 1.00 0.00 C ATOM 79 C PHE A 6 -7.323 -10.922 -9.820 1.00 0.00 C ATOM 80 O PHE A 6 -7.120 -11.778 -8.957 1.00 0.00 O ATOM 81 CB PHE A 6 -5.248 -9.806 -10.829 1.00 0.00 C ATOM 82 CG PHE A 6 -4.526 -11.139 -10.878 1.00 0.00 C ATOM 83 CD1 PHE A 6 -5.061 -12.201 -11.634 1.00 0.00 C ATOM 84 CD2 PHE A 6 -3.244 -11.267 -10.318 1.00 0.00 C ATOM 85 CE1 PHE A 6 -4.322 -13.379 -11.828 1.00 0.00 C ATOM 86 CE2 PHE A 6 -2.500 -12.441 -10.528 1.00 0.00 C ATOM 87 CZ PHE A 6 -3.044 -13.508 -11.260 1.00 0.00 C ATOM 0 H PHE A 6 -5.366 -9.664 -8.127 1.00 0.00 H new ATOM 0 HA PHE A 6 -7.094 -8.924 -10.391 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -5.570 -9.565 -11.842 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -4.524 -9.046 -10.535 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -6.046 -12.108 -12.067 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -2.830 -10.464 -9.726 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -4.736 -14.186 -12.414 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -1.502 -12.523 -10.123 1.00 0.00 H new ATOM 0 HZ PHE A 6 -2.483 -14.422 -11.386 1.00 0.00 H new ATOM 97 N TYR A 7 -8.284 -11.004 -10.735 1.00 0.00 N ATOM 98 CA TYR A 7 -9.275 -12.061 -10.864 1.00 0.00 C ATOM 99 C TYR A 7 -9.886 -11.949 -12.271 1.00 0.00 C ATOM 100 O TYR A 7 -9.560 -11.017 -13.011 1.00 0.00 O ATOM 101 CB TYR A 7 -10.354 -11.894 -9.782 1.00 0.00 C ATOM 102 CG TYR A 7 -11.100 -10.573 -9.834 1.00 0.00 C ATOM 103 CD1 TYR A 7 -10.540 -9.436 -9.226 1.00 0.00 C ATOM 104 CD2 TYR A 7 -12.333 -10.464 -10.504 1.00 0.00 C ATOM 105 CE1 TYR A 7 -11.202 -8.203 -9.271 1.00 0.00 C ATOM 106 CE2 TYR A 7 -13.015 -9.236 -10.532 1.00 0.00 C ATOM 107 CZ TYR A 7 -12.455 -8.096 -9.909 1.00 0.00 C ATOM 108 OH TYR A 7 -13.099 -6.895 -9.916 1.00 0.00 O ATOM 0 H TYR A 7 -8.396 -10.286 -11.451 1.00 0.00 H new ATOM 0 HA TYR A 7 -8.823 -13.044 -10.732 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -11.074 -12.707 -9.876 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -9.887 -11.994 -8.802 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -9.590 -9.514 -8.719 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -12.756 -11.326 -10.998 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -10.752 -7.333 -8.816 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -13.970 -9.162 -11.031 1.00 0.00 H new ATOM 0 HH TYR A 7 -13.949 -6.983 -10.395 1.00 0.00 H new ATOM 118 N GLY A 8 -10.785 -12.865 -12.644 1.00 0.00 N ATOM 119 CA GLY A 8 -11.439 -12.829 -13.946 1.00 0.00 C ATOM 120 C GLY A 8 -12.179 -14.135 -14.168 1.00 0.00 C ATOM 121 O GLY A 8 -11.594 -15.087 -14.680 1.00 0.00 O ATOM 0 H GLY A 8 -11.075 -13.645 -12.054 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -12.134 -11.991 -13.994 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.701 -12.677 -14.733 1.00 0.00 H new ATOM 125 N SER A 9 -13.440 -14.202 -13.738 1.00 0.00 N ATOM 126 CA SER A 9 -14.174 -15.464 -13.673 1.00 0.00 C ATOM 127 C SER A 9 -15.627 -15.271 -14.112 1.00 0.00 C ATOM 128 O SER A 9 -16.303 -14.366 -13.622 1.00 0.00 O ATOM 129 CB SER A 9 -14.094 -16.015 -12.244 1.00 0.00 C ATOM 130 OG SER A 9 -12.776 -15.889 -11.733 1.00 0.00 O ATOM 0 H SER A 9 -13.976 -13.391 -13.428 1.00 0.00 H new ATOM 0 HA SER A 9 -13.723 -16.183 -14.357 1.00 0.00 H new ATOM 0 HB2 SER A 9 -14.792 -15.478 -11.602 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.395 -17.063 -12.235 1.00 0.00 H new ATOM 0 HG SER A 9 -12.809 -15.495 -10.837 1.00 0.00 H new ATOM 136 N SER A 10 -16.100 -16.128 -15.015 1.00 0.00 N ATOM 137 CA SER A 10 -17.484 -16.194 -15.459 1.00 0.00 C ATOM 138 C SER A 10 -18.307 -16.972 -14.427 1.00 0.00 C ATOM 139 O SER A 10 -19.225 -16.426 -13.806 1.00 0.00 O ATOM 140 CB SER A 10 -17.511 -16.841 -16.852 1.00 0.00 C ATOM 141 OG SER A 10 -16.558 -17.903 -16.933 1.00 0.00 O ATOM 0 H SER A 10 -15.505 -16.819 -15.472 1.00 0.00 H new ATOM 0 HA SER A 10 -17.929 -15.202 -15.540 1.00 0.00 H new ATOM 0 HB2 SER A 10 -18.510 -17.225 -17.061 1.00 0.00 H new ATOM 0 HB3 SER A 10 -17.292 -16.090 -17.612 1.00 0.00 H new ATOM 0 HG SER A 10 -16.591 -18.304 -17.826 1.00 0.00 H new ATOM 147 N THR A 11 -17.941 -18.235 -14.196 1.00 0.00 N ATOM 148 CA THR A 11 -18.470 -19.058 -13.118 1.00 0.00 C ATOM 149 C THR A 11 -17.928 -18.528 -11.780 1.00 0.00 C ATOM 150 O THR A 11 -16.781 -18.077 -11.715 1.00 0.00 O ATOM 151 CB THR A 11 -18.102 -20.536 -13.380 1.00 0.00 C ATOM 152 OG1 THR A 11 -16.779 -20.642 -13.893 1.00 0.00 O ATOM 153 CG2 THR A 11 -19.044 -21.165 -14.413 1.00 0.00 C ATOM 0 H THR A 11 -17.252 -18.721 -14.770 1.00 0.00 H new ATOM 0 HA THR A 11 -19.558 -19.005 -13.072 1.00 0.00 H new ATOM 0 HB THR A 11 -18.187 -21.056 -12.426 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.564 -21.585 -14.051 1.00 0.00 H new ATOM 0 HG21 THR A 11 -18.761 -22.205 -14.577 1.00 0.00 H new ATOM 0 HG22 THR A 11 -20.069 -21.121 -14.045 1.00 0.00 H new ATOM 0 HG23 THR A 11 -18.972 -20.617 -15.352 1.00 0.00 H new ATOM 161 N CYS A 12 -18.755 -18.575 -10.720 1.00 0.00 N ATOM 162 CA CYS A 12 -18.437 -18.088 -9.373 1.00 0.00 C ATOM 163 C CYS A 12 -17.775 -16.702 -9.424 1.00 0.00 C ATOM 164 O CYS A 12 -16.645 -16.539 -8.953 1.00 0.00 O ATOM 165 CB CYS A 12 -17.588 -19.125 -8.619 1.00 0.00 C ATOM 166 SG CYS A 12 -18.456 -20.719 -8.495 1.00 0.00 S ATOM 0 H CYS A 12 -19.694 -18.967 -10.784 1.00 0.00 H new ATOM 0 HA CYS A 12 -19.365 -17.962 -8.815 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -16.637 -19.264 -9.134 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -17.358 -18.754 -7.620 1.00 0.00 H new ATOM 0 HG CYS A 12 -17.710 -21.571 -7.855 1.00 0.00 H new ATOM 172 N TYR A 13 -18.450 -15.736 -10.063 1.00 0.00 N ATOM 173 CA TYR A 13 -17.874 -14.434 -10.402 1.00 0.00 C ATOM 174 C TYR A 13 -17.227 -13.791 -9.169 1.00 0.00 C ATOM 175 O TYR A 13 -17.859 -13.576 -8.135 1.00 0.00 O ATOM 176 CB TYR A 13 -18.890 -13.534 -11.130 1.00 0.00 C ATOM 177 CG TYR A 13 -20.129 -13.109 -10.354 1.00 0.00 C ATOM 178 CD1 TYR A 13 -21.244 -13.965 -10.254 1.00 0.00 C ATOM 179 CD2 TYR A 13 -20.197 -11.819 -9.789 1.00 0.00 C ATOM 180 CE1 TYR A 13 -22.406 -13.546 -9.580 1.00 0.00 C ATOM 181 CE2 TYR A 13 -21.356 -11.387 -9.120 1.00 0.00 C ATOM 182 CZ TYR A 13 -22.471 -12.253 -9.012 1.00 0.00 C ATOM 183 OH TYR A 13 -23.614 -11.847 -8.382 1.00 0.00 O ATOM 0 H TYR A 13 -19.420 -15.841 -10.360 1.00 0.00 H new ATOM 0 HA TYR A 13 -17.068 -14.580 -11.121 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -18.370 -12.633 -11.455 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -19.218 -14.055 -12.030 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -21.206 -14.949 -10.698 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -19.349 -11.155 -9.871 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -23.251 -14.214 -9.496 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -21.396 -10.397 -8.690 1.00 0.00 H new ATOM 0 HH TYR A 13 -23.496 -10.934 -8.046 1.00 0.00 H new ATOM 193 N THR A 14 -15.931 -13.497 -9.293 1.00 0.00 N ATOM 194 CA THR A 14 -15.047 -13.143 -8.183 1.00 0.00 C ATOM 195 C THR A 14 -15.199 -11.688 -7.716 1.00 0.00 C ATOM 196 O THR A 14 -14.609 -11.314 -6.704 1.00 0.00 O ATOM 197 CB THR A 14 -13.625 -13.511 -8.636 1.00 0.00 C ATOM 198 OG1 THR A 14 -13.647 -14.764 -9.295 1.00 0.00 O ATOM 199 CG2 THR A 14 -12.583 -13.608 -7.532 1.00 0.00 C ATOM 0 H THR A 14 -15.455 -13.499 -10.195 1.00 0.00 H new ATOM 0 HA THR A 14 -15.313 -13.701 -7.285 1.00 0.00 H new ATOM 0 HB THR A 14 -13.327 -12.685 -9.282 1.00 0.00 H new ATOM 0 HG1 THR A 14 -13.980 -15.451 -8.680 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.618 -13.873 -7.965 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.501 -12.647 -7.023 1.00 0.00 H new ATOM 0 HG23 THR A 14 -12.882 -14.373 -6.816 1.00 0.00 H new ATOM 207 N GLU A 15 -16.005 -10.872 -8.410 1.00 0.00 N ATOM 208 CA GLU A 15 -16.161 -9.443 -8.121 1.00 0.00 C ATOM 209 C GLU A 15 -16.513 -9.211 -6.650 1.00 0.00 C ATOM 210 O GLU A 15 -15.935 -8.322 -6.036 1.00 0.00 O ATOM 211 CB GLU A 15 -17.251 -8.831 -9.018 1.00 0.00 C ATOM 212 CG GLU A 15 -16.856 -8.770 -10.501 1.00 0.00 C ATOM 213 CD GLU A 15 -17.983 -8.156 -11.357 1.00 0.00 C ATOM 214 OE1 GLU A 15 -18.044 -6.909 -11.484 1.00 0.00 O ATOM 215 OE2 GLU A 15 -18.801 -8.920 -11.922 1.00 0.00 O ATOM 0 H GLU A 15 -16.572 -11.191 -9.196 1.00 0.00 H new ATOM 0 HA GLU A 15 -15.208 -8.956 -8.328 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -18.165 -9.416 -8.917 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -17.476 -7.824 -8.668 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -15.948 -8.178 -10.613 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -16.629 -9.774 -10.861 1.00 0.00 H new ATOM 222 N MET A 16 -17.390 -10.042 -6.065 1.00 0.00 N ATOM 223 CA MET A 16 -17.838 -9.863 -4.683 1.00 0.00 C ATOM 224 C MET A 16 -16.698 -10.052 -3.682 1.00 0.00 C ATOM 225 O MET A 16 -16.556 -9.239 -2.771 1.00 0.00 O ATOM 226 CB MET A 16 -19.056 -10.747 -4.373 1.00 0.00 C ATOM 227 CG MET A 16 -18.794 -12.261 -4.443 1.00 0.00 C ATOM 228 SD MET A 16 -20.288 -13.284 -4.408 1.00 0.00 S ATOM 229 CE MET A 16 -20.995 -12.805 -6.005 1.00 0.00 C ATOM 0 H MET A 16 -17.803 -10.848 -6.535 1.00 0.00 H new ATOM 0 HA MET A 16 -18.164 -8.829 -4.573 1.00 0.00 H new ATOM 0 HB2 MET A 16 -19.419 -10.502 -3.375 1.00 0.00 H new ATOM 0 HB3 MET A 16 -19.854 -10.499 -5.073 1.00 0.00 H new ATOM 0 HG2 MET A 16 -18.241 -12.479 -5.356 1.00 0.00 H new ATOM 0 HG3 MET A 16 -18.155 -12.545 -3.607 1.00 0.00 H new ATOM 0 HE1 MET A 16 -21.668 -13.588 -6.354 1.00 0.00 H new ATOM 0 HE2 MET A 16 -21.549 -11.873 -5.893 1.00 0.00 H new ATOM 0 HE3 MET A 16 -20.194 -12.665 -6.731 1.00 0.00 H new ATOM 239 N ALA A 17 -15.845 -11.072 -3.864 1.00 0.00 N ATOM 240 CA ALA A 17 -14.670 -11.255 -3.011 1.00 0.00 C ATOM 241 C ALA A 17 -13.742 -10.055 -3.190 1.00 0.00 C ATOM 242 O ALA A 17 -13.276 -9.489 -2.206 1.00 0.00 O ATOM 243 CB ALA A 17 -13.956 -12.567 -3.363 1.00 0.00 C ATOM 0 H ALA A 17 -15.950 -11.778 -4.593 1.00 0.00 H new ATOM 0 HA ALA A 17 -14.973 -11.318 -1.966 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -13.084 -12.690 -2.721 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -14.638 -13.404 -3.213 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -13.638 -12.540 -4.405 1.00 0.00 H new ATOM 249 N ALA A 18 -13.521 -9.636 -4.437 1.00 0.00 N ATOM 250 CA ALA A 18 -12.579 -8.580 -4.761 1.00 0.00 C ATOM 251 C ALA A 18 -12.993 -7.249 -4.129 1.00 0.00 C ATOM 252 O ALA A 18 -12.177 -6.597 -3.479 1.00 0.00 O ATOM 253 CB ALA A 18 -12.463 -8.479 -6.281 1.00 0.00 C ATOM 0 H ALA A 18 -13.997 -10.026 -5.251 1.00 0.00 H new ATOM 0 HA ALA A 18 -11.601 -8.822 -4.345 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -11.758 -7.689 -6.540 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -12.108 -9.428 -6.683 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -13.440 -8.248 -6.706 1.00 0.00 H new ATOM 259 N GLU A 19 -14.259 -6.850 -4.269 1.00 0.00 N ATOM 260 CA GLU A 19 -14.726 -5.590 -3.707 1.00 0.00 C ATOM 261 C GLU A 19 -14.737 -5.657 -2.175 1.00 0.00 C ATOM 262 O GLU A 19 -14.326 -4.695 -1.525 1.00 0.00 O ATOM 263 CB GLU A 19 -16.059 -5.143 -4.335 1.00 0.00 C ATOM 264 CG GLU A 19 -17.283 -5.991 -3.967 1.00 0.00 C ATOM 265 CD GLU A 19 -18.571 -5.416 -4.588 1.00 0.00 C ATOM 266 OE1 GLU A 19 -19.123 -4.435 -4.035 1.00 0.00 O ATOM 267 OE2 GLU A 19 -19.047 -5.942 -5.624 1.00 0.00 O ATOM 0 H GLU A 19 -14.974 -7.382 -4.766 1.00 0.00 H new ATOM 0 HA GLU A 19 -14.021 -4.801 -3.969 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.252 -4.112 -4.039 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.949 -5.148 -5.419 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.136 -7.014 -4.312 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.387 -6.032 -2.883 1.00 0.00 H new ATOM 274 N LYS A 20 -15.091 -6.806 -1.584 1.00 0.00 N ATOM 275 CA LYS A 20 -15.075 -6.965 -0.131 1.00 0.00 C ATOM 276 C LYS A 20 -13.649 -6.888 0.402 1.00 0.00 C ATOM 277 O LYS A 20 -13.436 -6.228 1.411 1.00 0.00 O ATOM 278 CB LYS A 20 -15.801 -8.260 0.284 1.00 0.00 C ATOM 279 CG LYS A 20 -17.325 -8.119 0.092 1.00 0.00 C ATOM 280 CD LYS A 20 -18.084 -9.448 0.239 1.00 0.00 C ATOM 281 CE LYS A 20 -18.095 -10.030 1.664 1.00 0.00 C ATOM 282 NZ LYS A 20 -18.930 -9.248 2.617 1.00 0.00 N ATOM 0 H LYS A 20 -15.391 -7.637 -2.093 1.00 0.00 H new ATOM 0 HA LYS A 20 -15.624 -6.140 0.323 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.431 -9.096 -0.310 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.581 -8.487 1.327 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -17.711 -7.406 0.820 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -17.522 -7.704 -0.896 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.114 -9.300 -0.086 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.639 -10.181 -0.434 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -18.463 -11.055 1.627 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -17.072 -10.072 2.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -19.160 -9.838 3.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -18.405 -8.406 2.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -19.809 -8.953 2.147 1.00 0.00 H new ATOM 296 N ILE A 21 -12.658 -7.477 -0.274 1.00 0.00 N ATOM 297 CA ILE A 21 -11.261 -7.395 0.136 1.00 0.00 C ATOM 298 C ILE A 21 -10.854 -5.926 0.258 1.00 0.00 C ATOM 299 O ILE A 21 -10.362 -5.527 1.316 1.00 0.00 O ATOM 300 CB ILE A 21 -10.377 -8.164 -0.876 1.00 0.00 C ATOM 301 CG1 ILE A 21 -10.470 -9.697 -0.729 1.00 0.00 C ATOM 302 CG2 ILE A 21 -8.903 -7.748 -0.741 1.00 0.00 C ATOM 303 CD1 ILE A 21 -10.045 -10.440 -2.003 1.00 0.00 C ATOM 0 H ILE A 21 -12.807 -8.024 -1.122 1.00 0.00 H new ATOM 0 HA ILE A 21 -11.123 -7.860 1.112 1.00 0.00 H new ATOM 0 HB ILE A 21 -10.762 -7.898 -1.860 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -9.840 -10.017 0.101 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -11.494 -9.972 -0.477 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -8.301 -8.301 -1.462 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.808 -6.679 -0.933 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -8.554 -7.968 0.268 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -10.130 -11.515 -1.843 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.691 -10.144 -2.830 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -9.012 -10.190 -2.243 1.00 0.00 H new ATOM 315 N ARG A 22 -11.045 -5.111 -0.795 1.00 0.00 N ATOM 316 CA ARG A 22 -10.603 -3.711 -0.727 1.00 0.00 C ATOM 317 C ARG A 22 -11.371 -2.973 0.355 1.00 0.00 C ATOM 318 O ARG A 22 -10.777 -2.171 1.063 1.00 0.00 O ATOM 319 CB ARG A 22 -10.679 -2.971 -2.083 1.00 0.00 C ATOM 320 CG ARG A 22 -12.073 -2.835 -2.690 1.00 0.00 C ATOM 321 CD ARG A 22 -12.188 -1.733 -3.746 1.00 0.00 C ATOM 322 NE ARG A 22 -13.609 -1.386 -3.961 1.00 0.00 N ATOM 323 CZ ARG A 22 -14.105 -0.622 -4.945 1.00 0.00 C ATOM 324 NH1 ARG A 22 -13.301 -0.065 -5.847 1.00 0.00 N ATOM 325 NH2 ARG A 22 -15.416 -0.416 -5.024 1.00 0.00 N ATOM 0 H ARG A 22 -11.486 -5.386 -1.673 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.545 -3.726 -0.467 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -10.261 -1.973 -1.954 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.042 -3.494 -2.797 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -12.356 -3.786 -3.140 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -12.788 -2.635 -1.892 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -11.634 -0.851 -3.425 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -11.741 -2.067 -4.682 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.280 -1.766 -3.293 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -12.294 -0.217 -5.795 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -13.692 0.514 -6.590 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.041 -0.839 -4.337 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -15.797 0.165 -5.771 1.00 0.00 H new ATOM 339 N ASP A 23 -12.664 -3.254 0.502 1.00 0.00 N ATOM 340 CA ASP A 23 -13.516 -2.546 1.449 1.00 0.00 C ATOM 341 C ASP A 23 -13.042 -2.805 2.880 1.00 0.00 C ATOM 342 O ASP A 23 -13.028 -1.901 3.719 1.00 0.00 O ATOM 343 CB ASP A 23 -14.976 -2.975 1.292 1.00 0.00 C ATOM 344 CG ASP A 23 -15.852 -2.264 2.338 1.00 0.00 C ATOM 345 OD1 ASP A 23 -16.117 -1.048 2.180 1.00 0.00 O ATOM 346 OD2 ASP A 23 -16.296 -2.929 3.306 1.00 0.00 O ATOM 0 H ASP A 23 -13.147 -3.977 -0.031 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.448 -1.478 1.240 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -15.328 -2.735 0.288 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -15.060 -4.055 1.410 1.00 0.00 H new ATOM 351 N ILE A 24 -12.605 -4.041 3.135 1.00 0.00 N ATOM 352 CA ILE A 24 -12.185 -4.524 4.431 1.00 0.00 C ATOM 353 C ILE A 24 -10.795 -3.984 4.769 1.00 0.00 C ATOM 354 O ILE A 24 -10.618 -3.365 5.820 1.00 0.00 O ATOM 355 CB ILE A 24 -12.303 -6.066 4.447 1.00 0.00 C ATOM 356 CG1 ILE A 24 -13.795 -6.484 4.497 1.00 0.00 C ATOM 357 CG2 ILE A 24 -11.525 -6.662 5.624 1.00 0.00 C ATOM 358 CD1 ILE A 24 -14.038 -7.964 4.181 1.00 0.00 C ATOM 0 H ILE A 24 -12.535 -4.753 2.408 1.00 0.00 H new ATOM 0 HA ILE A 24 -12.833 -4.154 5.226 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.864 -6.459 3.530 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -14.190 -6.265 5.489 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -14.356 -5.875 3.789 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -11.624 -7.747 5.613 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -10.472 -6.392 5.538 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -11.925 -6.271 6.560 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -15.105 -8.177 4.236 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.675 -8.186 3.177 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -13.506 -8.582 4.904 1.00 0.00 H new ATOM 370 N ILE A 25 -9.815 -4.215 3.892 1.00 0.00 N ATOM 371 CA ILE A 25 -8.439 -3.774 4.107 1.00 0.00 C ATOM 372 C ILE A 25 -8.396 -2.242 4.201 1.00 0.00 C ATOM 373 O ILE A 25 -7.771 -1.682 5.101 1.00 0.00 O ATOM 374 CB ILE A 25 -7.558 -4.303 2.953 1.00 0.00 C ATOM 375 CG1 ILE A 25 -7.424 -5.833 3.085 1.00 0.00 C ATOM 376 CG2 ILE A 25 -6.184 -3.612 2.883 1.00 0.00 C ATOM 377 CD1 ILE A 25 -6.615 -6.477 1.962 1.00 0.00 C ATOM 0 H ILE A 25 -9.955 -4.713 3.013 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.052 -4.172 5.045 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.048 -4.062 2.010 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.953 -6.067 4.040 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -8.420 -6.276 3.104 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.611 -4.025 2.053 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.322 -2.542 2.731 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.645 -3.779 3.815 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.564 -7.554 2.122 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.096 -6.275 1.005 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.607 -6.063 1.956 1.00 0.00 H new ATOM 389 N GLY A 26 -9.053 -1.582 3.253 1.00 0.00 N ATOM 390 CA GLY A 26 -9.078 -0.137 3.096 1.00 0.00 C ATOM 391 C GLY A 26 -9.041 0.214 1.611 1.00 0.00 C ATOM 392 O GLY A 26 -8.027 -0.038 0.957 1.00 0.00 O ATOM 0 H GLY A 26 -9.606 -2.063 2.544 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.977 0.274 3.555 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.226 0.310 3.608 1.00 0.00 H new ATOM 396 N PRO A 27 -10.106 0.808 1.050 1.00 0.00 N ATOM 397 CA PRO A 27 -10.240 0.977 -0.392 1.00 0.00 C ATOM 398 C PRO A 27 -9.316 2.061 -0.971 1.00 0.00 C ATOM 399 O PRO A 27 -9.203 2.167 -2.190 1.00 0.00 O ATOM 400 CB PRO A 27 -11.730 1.272 -0.615 1.00 0.00 C ATOM 401 CG PRO A 27 -12.161 1.936 0.689 1.00 0.00 C ATOM 402 CD PRO A 27 -11.343 1.180 1.724 1.00 0.00 C ATOM 0 HA PRO A 27 -9.922 0.082 -0.927 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -11.885 1.929 -1.471 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.295 0.360 -0.807 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -11.938 3.003 0.695 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -13.232 1.833 0.863 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.142 1.802 2.596 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -11.877 0.298 2.078 1.00 0.00 H new ATOM 410 N GLU A 28 -8.628 2.846 -0.133 1.00 0.00 N ATOM 411 CA GLU A 28 -7.714 3.887 -0.588 1.00 0.00 C ATOM 412 C GLU A 28 -6.382 3.303 -1.078 1.00 0.00 C ATOM 413 O GLU A 28 -5.667 3.959 -1.839 1.00 0.00 O ATOM 414 CB GLU A 28 -7.518 4.951 0.509 1.00 0.00 C ATOM 415 CG GLU A 28 -6.820 4.434 1.779 1.00 0.00 C ATOM 416 CD GLU A 28 -6.607 5.567 2.801 1.00 0.00 C ATOM 417 OE1 GLU A 28 -5.554 6.251 2.748 1.00 0.00 O1- ATOM 418 OE2 GLU A 28 -7.485 5.775 3.674 1.00 0.00 O ATOM 0 H GLU A 28 -8.694 2.772 0.882 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.164 4.381 -1.449 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.935 5.775 0.099 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.492 5.356 0.784 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.419 3.643 2.230 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.858 3.994 1.515 1.00 0.00 H new ATOM 425 N LEU A 29 -6.048 2.078 -0.642 1.00 0.00 N ATOM 426 CA LEU A 29 -4.752 1.440 -0.858 1.00 0.00 C ATOM 427 C LEU A 29 -4.854 0.092 -1.579 1.00 0.00 C ATOM 428 O LEU A 29 -3.853 -0.613 -1.700 1.00 0.00 O ATOM 429 CB LEU A 29 -3.991 1.363 0.480 1.00 0.00 C ATOM 430 CG LEU A 29 -4.604 0.442 1.560 1.00 0.00 C ATOM 431 CD1 LEU A 29 -3.492 -0.300 2.308 1.00 0.00 C ATOM 432 CD2 LEU A 29 -5.426 1.214 2.596 1.00 0.00 C ATOM 0 H LEU A 29 -6.695 1.492 -0.115 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.174 2.060 -1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.975 1.025 0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.916 2.370 0.890 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.263 -0.250 1.036 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.933 -0.946 3.067 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.920 -0.905 1.604 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.831 0.422 2.786 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.833 0.518 3.330 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.788 1.940 3.099 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.244 1.734 2.097 1.00 0.00 H new ATOM 444 N VAL A 30 -6.039 -0.276 -2.066 1.00 0.00 N ATOM 445 CA VAL A 30 -6.274 -1.482 -2.862 1.00 0.00 C ATOM 446 C VAL A 30 -6.940 -1.049 -4.175 1.00 0.00 C ATOM 447 O VAL A 30 -7.677 -0.061 -4.211 1.00 0.00 O ATOM 448 CB VAL A 30 -7.126 -2.487 -2.062 1.00 0.00 C ATOM 449 CG1 VAL A 30 -7.346 -3.831 -2.782 1.00 0.00 C ATOM 450 CG2 VAL A 30 -6.559 -2.781 -0.664 1.00 0.00 C ATOM 0 H VAL A 30 -6.886 0.272 -1.914 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.341 -1.995 -3.096 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.086 -1.980 -1.967 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.954 -4.484 -2.156 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.857 -3.657 -3.729 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.383 -4.304 -2.971 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.204 -3.495 -0.152 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.557 -3.200 -0.758 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.513 -1.857 -0.088 1.00 0.00 H new ATOM 460 N THR A 31 -6.715 -1.815 -5.240 1.00 0.00 N ATOM 461 CA THR A 31 -7.195 -1.554 -6.595 1.00 0.00 C ATOM 462 C THR A 31 -7.722 -2.871 -7.170 1.00 0.00 C ATOM 463 O THR A 31 -7.062 -3.902 -7.038 1.00 0.00 O ATOM 464 CB THR A 31 -6.029 -0.976 -7.430 1.00 0.00 C ATOM 465 OG1 THR A 31 -5.407 0.120 -6.767 1.00 0.00 O ATOM 466 CG2 THR A 31 -6.449 -0.537 -8.837 1.00 0.00 C ATOM 0 H THR A 31 -6.168 -2.674 -5.179 1.00 0.00 H new ATOM 0 HA THR A 31 -8.005 -0.824 -6.608 1.00 0.00 H new ATOM 0 HB THR A 31 -5.318 -1.796 -7.535 1.00 0.00 H new ATOM 0 HG1 THR A 31 -4.673 0.462 -7.319 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.583 -0.141 -9.368 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.849 -1.393 -9.381 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.214 0.236 -8.764 1.00 0.00 H new ATOM 474 N LEU A 32 -8.906 -2.854 -7.798 1.00 0.00 N ATOM 475 CA LEU A 32 -9.459 -4.039 -8.455 1.00 0.00 C ATOM 476 C LEU A 32 -8.794 -4.179 -9.824 1.00 0.00 C ATOM 477 O LEU A 32 -8.624 -3.184 -10.529 1.00 0.00 O ATOM 478 CB LEU A 32 -10.998 -3.972 -8.587 1.00 0.00 C ATOM 479 CG LEU A 32 -11.798 -3.768 -7.283 1.00 0.00 C ATOM 480 CD1 LEU A 32 -13.287 -4.069 -7.492 1.00 0.00 C ATOM 481 CD2 LEU A 32 -11.284 -4.644 -6.138 1.00 0.00 C ATOM 0 H LEU A 32 -9.499 -2.027 -7.863 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.249 -4.916 -7.842 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.246 -3.158 -9.269 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.340 -4.895 -9.055 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.662 -2.721 -7.012 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.824 -3.916 -6.556 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.690 -3.402 -8.254 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.407 -5.103 -7.815 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.881 -4.462 -5.244 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.363 -5.694 -6.419 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.241 -4.401 -5.934 1.00 0.00 H new ATOM 493 N HIS A 33 -8.435 -5.404 -10.210 1.00 0.00 N ATOM 494 CA HIS A 33 -7.727 -5.708 -11.450 1.00 0.00 C ATOM 495 C HIS A 33 -8.443 -6.870 -12.151 1.00 0.00 C ATOM 496 O HIS A 33 -7.902 -7.958 -12.342 1.00 0.00 O ATOM 497 CB HIS A 33 -6.235 -5.933 -11.138 1.00 0.00 C ATOM 498 CG HIS A 33 -5.393 -6.108 -12.367 1.00 0.00 C ATOM 499 ND1 HIS A 33 -4.631 -7.229 -12.696 1.00 0.00 N ATOM 500 CD2 HIS A 33 -5.269 -5.174 -13.348 1.00 0.00 C ATOM 501 CE1 HIS A 33 -4.112 -6.965 -13.902 1.00 0.00 C ATOM 502 NE2 HIS A 33 -4.497 -5.753 -14.330 1.00 0.00 N ATOM 0 H HIS A 33 -8.635 -6.234 -9.652 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.747 -4.880 -12.159 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -5.859 -5.085 -10.565 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -6.132 -6.815 -10.506 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -5.691 -4.180 -13.355 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -3.471 -7.636 -14.455 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -4.259 -5.333 -15.228 1.00 0.00 H new ATOM 510 N ASN A 34 -9.722 -6.647 -12.477 1.00 0.00 N ATOM 511 CA ASN A 34 -10.501 -7.577 -13.293 1.00 0.00 C ATOM 512 C ASN A 34 -9.799 -7.719 -14.646 1.00 0.00 C ATOM 513 O ASN A 34 -9.565 -6.709 -15.313 1.00 0.00 O ATOM 514 CB ASN A 34 -11.915 -7.017 -13.500 1.00 0.00 C ATOM 515 CG ASN A 34 -12.793 -7.910 -14.378 1.00 0.00 C ATOM 516 OD1 ASN A 34 -12.485 -9.068 -14.635 1.00 0.00 O ATOM 517 ND2 ASN A 34 -13.917 -7.389 -14.843 1.00 0.00 N ATOM 0 H ASN A 34 -10.241 -5.820 -12.183 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.576 -8.547 -12.801 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -12.394 -6.889 -12.529 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -11.845 -6.028 -13.954 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -14.539 -7.953 -15.423 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -14.162 -6.424 -14.622 1.00 0.00 H new ATOM 524 N LEU A 35 -9.452 -8.933 -15.065 1.00 0.00 N ATOM 525 CA LEU A 35 -8.592 -9.127 -16.226 1.00 0.00 C ATOM 526 C LEU A 35 -9.295 -8.793 -17.546 1.00 0.00 C ATOM 527 O LEU A 35 -8.656 -8.261 -18.460 1.00 0.00 O ATOM 528 CB LEU A 35 -7.986 -10.531 -16.210 1.00 0.00 C ATOM 529 CG LEU A 35 -6.864 -10.674 -15.167 1.00 0.00 C ATOM 530 CD1 LEU A 35 -6.555 -12.161 -14.975 1.00 0.00 C ATOM 531 CD2 LEU A 35 -5.609 -9.896 -15.584 1.00 0.00 C ATOM 0 H LEU A 35 -9.754 -9.798 -14.616 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.771 -8.413 -16.157 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.769 -11.259 -15.999 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.591 -10.765 -17.199 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.197 -10.248 -14.221 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.761 -12.275 -14.237 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.450 -12.677 -14.627 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.234 -12.591 -15.924 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.836 -10.018 -14.825 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.245 -10.277 -16.538 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.853 -8.839 -15.686 1.00 0.00 H new ATOM 543 N LYS A 36 -10.613 -8.991 -17.633 1.00 0.00 N ATOM 544 CA LYS A 36 -11.424 -8.527 -18.751 1.00 0.00 C ATOM 545 C LYS A 36 -11.343 -7.004 -18.872 1.00 0.00 C ATOM 546 O LYS A 36 -11.516 -6.466 -19.969 1.00 0.00 O ATOM 547 CB LYS A 36 -12.872 -9.011 -18.544 1.00 0.00 C ATOM 548 CG LYS A 36 -13.869 -8.656 -19.663 1.00 0.00 C ATOM 549 CD LYS A 36 -13.492 -9.249 -21.033 1.00 0.00 C ATOM 550 CE LYS A 36 -14.485 -8.867 -22.144 1.00 0.00 C ATOM 551 NZ LYS A 36 -15.821 -9.506 -21.991 1.00 0.00 N ATOM 0 H LYS A 36 -11.149 -9.484 -16.919 1.00 0.00 H new ATOM 0 HA LYS A 36 -11.048 -8.940 -19.687 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -12.859 -10.095 -18.427 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -13.243 -8.594 -17.608 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -14.860 -9.012 -19.382 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -13.933 -7.571 -19.751 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.495 -8.906 -21.310 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.445 -10.335 -20.953 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.608 -7.784 -22.154 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -14.064 -9.149 -23.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -16.440 -9.207 -22.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -15.715 -10.540 -22.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -16.242 -9.218 -21.085 1.00 0.00 H new ATOM 565 N ASP A 37 -11.096 -6.314 -17.757 1.00 0.00 N ATOM 566 CA ASP A 37 -11.104 -4.851 -17.702 1.00 0.00 C ATOM 567 C ASP A 37 -9.718 -4.241 -17.921 1.00 0.00 C ATOM 568 O ASP A 37 -9.623 -3.182 -18.548 1.00 0.00 O ATOM 569 CB ASP A 37 -11.705 -4.337 -16.395 1.00 0.00 C ATOM 570 CG ASP A 37 -11.836 -2.803 -16.424 1.00 0.00 C ATOM 571 OD1 ASP A 37 -12.689 -2.283 -17.188 1.00 0.00 O ATOM 572 OD2 ASP A 37 -11.125 -2.116 -15.653 1.00 0.00 O ATOM 0 H ASP A 37 -10.884 -6.756 -16.863 1.00 0.00 H new ATOM 0 HA ASP A 37 -11.738 -4.528 -18.528 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.685 -4.788 -16.237 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -11.077 -4.638 -15.557 1.00 0.00 H new ATOM 577 N ASP A 38 -8.645 -4.891 -17.455 1.00 0.00 N ATOM 578 CA ASP A 38 -7.288 -4.344 -17.562 1.00 0.00 C ATOM 579 C ASP A 38 -6.225 -5.420 -17.800 1.00 0.00 C ATOM 580 O ASP A 38 -6.349 -6.555 -17.333 1.00 0.00 O ATOM 581 CB ASP A 38 -6.910 -3.485 -16.339 1.00 0.00 C ATOM 582 CG ASP A 38 -6.120 -2.222 -16.742 1.00 0.00 C ATOM 583 OD1 ASP A 38 -5.463 -2.199 -17.812 1.00 0.00 O1- ATOM 584 OD2 ASP A 38 -6.163 -1.233 -15.970 1.00 0.00 O ATOM 0 H ASP A 38 -8.692 -5.802 -16.998 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.306 -3.702 -18.443 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.816 -3.192 -15.808 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.314 -4.081 -15.648 1.00 0.00 H new ATOM 589 N SER A 39 -5.171 -5.043 -18.523 1.00 0.00 N ATOM 590 CA SER A 39 -4.144 -5.928 -19.067 1.00 0.00 C ATOM 591 C SER A 39 -3.231 -6.510 -17.968 1.00 0.00 C ATOM 592 O SER A 39 -3.098 -5.914 -16.898 1.00 0.00 O ATOM 593 CB SER A 39 -3.374 -5.145 -20.150 1.00 0.00 C ATOM 594 OG SER A 39 -4.279 -4.564 -21.083 1.00 0.00 O ATOM 0 H SER A 39 -5.003 -4.064 -18.756 1.00 0.00 H new ATOM 0 HA SER A 39 -4.606 -6.804 -19.522 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.772 -4.365 -19.684 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.686 -5.812 -20.669 1.00 0.00 H new ATOM 0 HG SER A 39 -3.775 -4.069 -21.763 1.00 0.00 H new ATOM 600 N PRO A 40 -2.556 -7.659 -18.198 1.00 0.00 N ATOM 601 CA PRO A 40 -1.803 -8.357 -17.152 1.00 0.00 C ATOM 602 C PRO A 40 -0.484 -7.683 -16.784 1.00 0.00 C ATOM 603 O PRO A 40 -0.059 -7.794 -15.644 1.00 0.00 O ATOM 604 CB PRO A 40 -1.601 -9.780 -17.680 1.00 0.00 C ATOM 605 CG PRO A 40 -1.590 -9.590 -19.194 1.00 0.00 C ATOM 606 CD PRO A 40 -2.617 -8.478 -19.404 1.00 0.00 C ATOM 0 HA PRO A 40 -2.357 -8.344 -16.213 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.668 -10.214 -17.322 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.404 -10.445 -17.363 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.604 -9.303 -19.558 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.870 -10.504 -19.718 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.382 -7.889 -20.291 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.616 -8.889 -19.549 1.00 0.00 H new ATOM 614 N LYS A 41 0.163 -6.924 -17.679 1.00 0.00 N ATOM 615 CA LYS A 41 1.442 -6.277 -17.344 1.00 0.00 C ATOM 616 C LYS A 41 1.282 -5.203 -16.251 1.00 0.00 C ATOM 617 O LYS A 41 2.247 -4.863 -15.575 1.00 0.00 O ATOM 618 CB LYS A 41 2.132 -5.737 -18.614 1.00 0.00 C ATOM 619 CG LYS A 41 2.995 -6.790 -19.341 1.00 0.00 C ATOM 620 CD LYS A 41 2.269 -7.942 -20.070 1.00 0.00 C ATOM 621 CE LYS A 41 1.520 -7.508 -21.349 1.00 0.00 C ATOM 622 NZ LYS A 41 2.435 -7.115 -22.463 1.00 0.00 N1+ ATOM 0 H LYS A 41 -0.170 -6.744 -18.626 1.00 0.00 H new ATOM 0 HA LYS A 41 2.098 -7.036 -16.918 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.372 -5.365 -19.301 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.760 -4.888 -18.344 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.613 -6.269 -20.072 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.671 -7.231 -18.609 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.998 -8.708 -20.332 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.557 -8.400 -19.383 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.882 -8.326 -21.683 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.866 -6.669 -21.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.873 -6.835 -23.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.027 -6.316 -22.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.043 -7.921 -22.714 1.00 0.00 H new ATOM 636 N LEU A 42 0.050 -4.757 -15.984 1.00 0.00 N ATOM 637 CA LEU A 42 -0.324 -3.889 -14.863 1.00 0.00 C ATOM 638 C LEU A 42 0.067 -4.540 -13.541 1.00 0.00 C ATOM 639 O LEU A 42 0.398 -3.818 -12.606 1.00 0.00 O ATOM 640 CB LEU A 42 -1.853 -3.660 -14.846 1.00 0.00 C ATOM 641 CG LEU A 42 -2.522 -2.719 -15.877 1.00 0.00 C ATOM 642 CD1 LEU A 42 -2.472 -1.262 -15.412 1.00 0.00 C ATOM 643 CD2 LEU A 42 -1.903 -2.775 -17.281 1.00 0.00 C ATOM 0 H LEU A 42 -0.749 -5.002 -16.569 1.00 0.00 H new ATOM 0 HA LEU A 42 0.197 -2.939 -14.987 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.325 -4.637 -14.950 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.110 -3.285 -13.855 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.547 -3.083 -15.943 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.950 -0.626 -16.157 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.997 -1.165 -14.462 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.434 -0.956 -15.285 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.431 -2.086 -17.939 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.852 -2.491 -17.227 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.986 -3.788 -17.675 1.00 0.00 H new ATOM 655 N MET A 43 0.055 -5.876 -13.454 1.00 0.00 N ATOM 656 CA MET A 43 0.428 -6.616 -12.244 1.00 0.00 C ATOM 657 C MET A 43 1.837 -6.255 -11.777 1.00 0.00 C ATOM 658 O MET A 43 2.132 -6.373 -10.590 1.00 0.00 O ATOM 659 CB MET A 43 0.399 -8.129 -12.493 1.00 0.00 C ATOM 660 CG MET A 43 -0.989 -8.708 -12.752 1.00 0.00 C ATOM 661 SD MET A 43 -0.916 -10.511 -12.876 1.00 0.00 S ATOM 662 CE MET A 43 -2.521 -10.813 -13.641 1.00 0.00 C ATOM 0 H MET A 43 -0.217 -6.479 -14.230 1.00 0.00 H new ATOM 0 HA MET A 43 -0.299 -6.341 -11.480 1.00 0.00 H new ATOM 0 HB2 MET A 43 1.037 -8.355 -13.348 1.00 0.00 H new ATOM 0 HB3 MET A 43 0.833 -8.634 -11.630 1.00 0.00 H new ATOM 0 HG2 MET A 43 -1.665 -8.421 -11.946 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.396 -8.291 -13.673 1.00 0.00 H new ATOM 0 HE1 MET A 43 -2.748 -11.878 -13.602 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.290 -10.259 -13.104 1.00 0.00 H new ATOM 0 HE3 MET A 43 -2.496 -10.485 -14.680 1.00 0.00 H new ATOM 672 N GLU A 44 2.716 -5.814 -12.685 1.00 0.00 N ATOM 673 CA GLU A 44 4.092 -5.496 -12.335 1.00 0.00 C ATOM 674 C GLU A 44 4.143 -4.280 -11.404 1.00 0.00 C ATOM 675 O GLU A 44 4.992 -4.243 -10.511 1.00 0.00 O ATOM 676 CB GLU A 44 4.951 -5.276 -13.595 1.00 0.00 C ATOM 677 CG GLU A 44 5.082 -6.547 -14.448 1.00 0.00 C ATOM 678 CD GLU A 44 6.076 -6.379 -15.618 1.00 0.00 C ATOM 679 OE1 GLU A 44 5.967 -5.397 -16.395 1.00 0.00 O ATOM 680 OE2 GLU A 44 6.961 -7.252 -15.776 1.00 0.00 O1- ATOM 0 H GLU A 44 2.491 -5.671 -13.669 1.00 0.00 H new ATOM 0 HA GLU A 44 4.513 -6.347 -11.800 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.510 -4.482 -14.197 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.944 -4.937 -13.299 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.408 -7.372 -13.815 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.103 -6.816 -14.844 1.00 0.00 H new ATOM 687 N GLN A 45 3.212 -3.330 -11.564 1.00 0.00 N ATOM 688 CA GLN A 45 3.275 -2.026 -10.905 1.00 0.00 C ATOM 689 C GLN A 45 3.097 -2.117 -9.389 1.00 0.00 C ATOM 690 O GLN A 45 3.776 -1.424 -8.629 1.00 0.00 O ATOM 691 CB GLN A 45 2.143 -1.114 -11.411 1.00 0.00 C ATOM 692 CG GLN A 45 1.973 -0.963 -12.929 1.00 0.00 C ATOM 693 CD GLN A 45 0.614 -0.325 -13.222 1.00 0.00 C ATOM 694 OE1 GLN A 45 0.527 0.775 -13.764 1.00 0.00 O ATOM 695 NE2 GLN A 45 -0.470 -0.995 -12.843 1.00 0.00 N ATOM 0 H GLN A 45 2.391 -3.449 -12.158 1.00 0.00 H new ATOM 0 HA GLN A 45 4.263 -1.630 -11.139 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.204 -1.488 -11.004 1.00 0.00 H new ATOM 0 HB3 GLN A 45 2.299 -0.121 -10.991 1.00 0.00 H new ATOM 0 HG2 GLN A 45 2.773 -0.346 -13.337 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.043 -1.937 -13.413 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.376 -1.906 -12.395 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -1.396 -0.598 -13.000 1.00 0.00 H new ATOM 704 N TYR A 46 2.126 -2.932 -8.967 1.00 0.00 N ATOM 705 CA TYR A 46 1.634 -2.939 -7.596 1.00 0.00 C ATOM 706 C TYR A 46 2.675 -3.564 -6.680 1.00 0.00 C ATOM 707 O TYR A 46 3.245 -4.600 -7.026 1.00 0.00 O ATOM 708 CB TYR A 46 0.289 -3.673 -7.498 1.00 0.00 C ATOM 709 CG TYR A 46 -0.785 -3.244 -8.488 1.00 0.00 C ATOM 710 CD1 TYR A 46 -1.702 -2.228 -8.163 1.00 0.00 C ATOM 711 CD2 TYR A 46 -0.908 -3.910 -9.723 1.00 0.00 C ATOM 712 CE1 TYR A 46 -2.690 -1.834 -9.083 1.00 0.00 C ATOM 713 CE2 TYR A 46 -1.927 -3.556 -10.626 1.00 0.00 C ATOM 714 CZ TYR A 46 -2.808 -2.497 -10.326 1.00 0.00 C ATOM 715 OH TYR A 46 -3.754 -2.144 -11.241 1.00 0.00 O ATOM 0 H TYR A 46 1.660 -3.607 -9.574 1.00 0.00 H new ATOM 0 HA TYR A 46 1.464 -1.911 -7.276 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.470 -4.740 -7.630 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -0.102 -3.539 -6.489 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.647 -1.746 -7.198 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -0.215 -4.698 -9.979 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -3.360 -1.023 -8.839 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -2.035 -4.098 -11.554 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.674 -2.717 -12.032 1.00 0.00 H new ATOM 725 N ASP A 47 2.928 -2.965 -5.516 1.00 0.00 N ATOM 726 CA ASP A 47 3.924 -3.503 -4.591 1.00 0.00 C ATOM 727 C ASP A 47 3.417 -4.792 -3.955 1.00 0.00 C ATOM 728 O ASP A 47 4.165 -5.760 -3.805 1.00 0.00 O ATOM 729 CB ASP A 47 4.259 -2.493 -3.502 1.00 0.00 C ATOM 730 CG ASP A 47 5.437 -3.031 -2.680 1.00 0.00 C ATOM 731 OD1 ASP A 47 6.572 -3.090 -3.209 1.00 0.00 O ATOM 732 OD2 ASP A 47 5.234 -3.355 -1.488 1.00 0.00 O1- ATOM 0 H ASP A 47 2.462 -2.116 -5.194 1.00 0.00 H new ATOM 0 HA ASP A 47 4.829 -3.715 -5.161 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.515 -1.531 -3.945 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.394 -2.328 -2.860 1.00 0.00 H new ATOM 737 N VAL A 48 2.117 -4.823 -3.651 1.00 0.00 N ATOM 738 CA VAL A 48 1.422 -6.033 -3.265 1.00 0.00 C ATOM 739 C VAL A 48 0.573 -6.461 -4.450 1.00 0.00 C ATOM 740 O VAL A 48 -0.036 -5.621 -5.114 1.00 0.00 O ATOM 741 CB VAL A 48 0.545 -5.834 -2.021 1.00 0.00 C ATOM 742 CG1 VAL A 48 0.060 -7.205 -1.525 1.00 0.00 C ATOM 743 CG2 VAL A 48 1.235 -5.031 -0.913 1.00 0.00 C ATOM 0 H VAL A 48 1.520 -3.996 -3.669 1.00 0.00 H new ATOM 0 HA VAL A 48 2.151 -6.799 -3.000 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.314 -5.228 -2.308 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.564 -7.072 -0.641 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.520 -7.691 -2.309 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.920 -7.826 -1.272 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.559 -4.928 -0.064 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.139 -5.551 -0.596 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.498 -4.043 -1.290 1.00 0.00 H new ATOM 753 N LEU A 49 0.453 -7.762 -4.671 1.00 0.00 N ATOM 754 CA LEU A 49 -0.421 -8.312 -5.683 1.00 0.00 C ATOM 755 C LEU A 49 -1.245 -9.429 -5.062 1.00 0.00 C ATOM 756 O LEU A 49 -0.705 -10.439 -4.626 1.00 0.00 O ATOM 757 CB LEU A 49 0.492 -8.805 -6.797 1.00 0.00 C ATOM 758 CG LEU A 49 -0.254 -9.278 -8.056 1.00 0.00 C ATOM 759 CD1 LEU A 49 -0.946 -8.111 -8.775 1.00 0.00 C ATOM 760 CD2 LEU A 49 0.740 -9.941 -9.011 1.00 0.00 C ATOM 0 H LEU A 49 0.967 -8.468 -4.144 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.129 -7.587 -6.085 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.177 -8.003 -7.073 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.100 -9.626 -6.418 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.021 -9.989 -7.749 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.463 -8.484 -9.660 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.667 -7.646 -8.103 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.200 -7.374 -9.074 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.216 -10.278 -9.905 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.510 -9.222 -9.291 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.203 -10.796 -8.518 1.00 0.00 H new ATOM 772 N ILE A 50 -2.552 -9.245 -4.991 1.00 0.00 N ATOM 773 CA ILE A 50 -3.491 -10.225 -4.494 1.00 0.00 C ATOM 774 C ILE A 50 -3.970 -11.040 -5.708 1.00 0.00 C ATOM 775 O ILE A 50 -4.349 -10.454 -6.724 1.00 0.00 O ATOM 776 CB ILE A 50 -4.601 -9.476 -3.721 1.00 0.00 C ATOM 777 CG1 ILE A 50 -4.121 -8.838 -2.400 1.00 0.00 C ATOM 778 CG2 ILE A 50 -5.788 -10.405 -3.482 1.00 0.00 C ATOM 779 CD1 ILE A 50 -4.975 -7.618 -2.029 1.00 0.00 C ATOM 0 H ILE A 50 -3.000 -8.378 -5.289 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.065 -10.934 -3.784 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.909 -8.641 -4.350 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.169 -9.575 -1.599 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.077 -8.539 -2.496 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.565 -9.869 -2.937 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.184 -10.743 -4.440 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.464 -11.267 -2.899 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.612 -7.191 -1.094 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.906 -6.871 -2.820 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.014 -7.924 -1.909 1.00 0.00 H new ATOM 791 N LEU A 51 -3.967 -12.370 -5.605 1.00 0.00 N ATOM 792 CA LEU A 51 -4.382 -13.310 -6.650 1.00 0.00 C ATOM 793 C LEU A 51 -5.685 -13.937 -6.194 1.00 0.00 C ATOM 794 O LEU A 51 -5.702 -14.494 -5.097 1.00 0.00 O ATOM 795 CB LEU A 51 -3.340 -14.442 -6.795 1.00 0.00 C ATOM 796 CG LEU A 51 -2.059 -14.106 -7.565 1.00 0.00 C ATOM 797 CD1 LEU A 51 -1.483 -12.707 -7.325 1.00 0.00 C ATOM 798 CD2 LEU A 51 -0.991 -15.108 -7.159 1.00 0.00 C ATOM 0 H LEU A 51 -3.662 -12.843 -4.754 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.483 -12.788 -7.602 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.059 -14.775 -5.796 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.822 -15.286 -7.288 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.335 -14.145 -8.619 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.579 -12.579 -7.920 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.218 -11.956 -7.616 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.242 -12.589 -6.269 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.066 -14.891 -7.694 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.815 -15.037 -6.086 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.325 -16.116 -7.406 1.00 0.00 H new ATOM 810 N GLY A 52 -6.727 -13.905 -7.023 1.00 0.00 N ATOM 811 CA GLY A 52 -8.000 -14.537 -6.721 1.00 0.00 C ATOM 812 C GLY A 52 -8.400 -15.404 -7.896 1.00 0.00 C ATOM 813 O GLY A 52 -8.365 -14.934 -9.036 1.00 0.00 O ATOM 0 H GLY A 52 -6.706 -13.435 -7.928 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.918 -15.140 -5.817 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.762 -13.781 -6.532 1.00 0.00 H new ATOM 817 N ILE A 53 -8.776 -16.658 -7.640 1.00 0.00 N ATOM 818 CA ILE A 53 -9.331 -17.533 -8.666 1.00 0.00 C ATOM 819 C ILE A 53 -10.268 -18.574 -8.048 1.00 0.00 C ATOM 820 O ILE A 53 -9.878 -19.259 -7.105 1.00 0.00 O ATOM 821 CB ILE A 53 -8.194 -18.194 -9.489 1.00 0.00 C ATOM 822 CG1 ILE A 53 -8.760 -19.227 -10.486 1.00 0.00 C ATOM 823 CG2 ILE A 53 -7.064 -18.815 -8.632 1.00 0.00 C ATOM 824 CD1 ILE A 53 -7.906 -19.429 -11.730 1.00 0.00 C ATOM 0 H ILE A 53 -8.704 -17.091 -6.719 1.00 0.00 H new ATOM 0 HA ILE A 53 -9.927 -16.931 -9.352 1.00 0.00 H new ATOM 0 HB ILE A 53 -7.727 -17.380 -10.042 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -8.871 -20.184 -9.976 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -9.758 -18.911 -10.791 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.311 -19.255 -9.286 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.604 -18.040 -8.019 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.480 -19.588 -7.986 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -8.375 -20.170 -12.377 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -7.815 -18.484 -12.266 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.915 -19.777 -11.438 1.00 0.00 H new ATOM 836 N PRO A 54 -11.495 -18.741 -8.564 1.00 0.00 N ATOM 837 CA PRO A 54 -12.307 -19.894 -8.241 1.00 0.00 C ATOM 838 C PRO A 54 -11.805 -21.055 -9.111 1.00 0.00 C ATOM 839 O PRO A 54 -11.588 -20.883 -10.310 1.00 0.00 O ATOM 840 CB PRO A 54 -13.747 -19.471 -8.546 1.00 0.00 C ATOM 841 CG PRO A 54 -13.578 -18.505 -9.716 1.00 0.00 C ATOM 842 CD PRO A 54 -12.225 -17.838 -9.444 1.00 0.00 C ATOM 0 HA PRO A 54 -12.253 -20.226 -7.204 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -14.371 -20.324 -8.813 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.217 -18.989 -7.689 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -13.581 -19.029 -10.672 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -14.385 -17.773 -9.751 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.679 -17.674 -10.373 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -12.359 -16.863 -8.976 1.00 0.00 H new ATOM 850 N THR A 55 -11.594 -22.222 -8.512 1.00 0.00 N ATOM 851 CA THR A 55 -11.386 -23.455 -9.256 1.00 0.00 C ATOM 852 C THR A 55 -12.791 -24.064 -9.320 1.00 0.00 C ATOM 853 O THR A 55 -13.350 -24.415 -8.277 1.00 0.00 O ATOM 854 CB THR A 55 -10.360 -24.353 -8.550 1.00 0.00 C ATOM 855 OG1 THR A 55 -9.149 -23.653 -8.317 1.00 0.00 O ATOM 856 CG2 THR A 55 -9.988 -25.552 -9.413 1.00 0.00 C ATOM 0 H THR A 55 -11.563 -22.338 -7.499 1.00 0.00 H new ATOM 0 HA THR A 55 -10.967 -23.311 -10.252 1.00 0.00 H new ATOM 0 HB THR A 55 -10.826 -24.669 -7.616 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.247 -23.084 -7.525 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.260 -26.168 -8.885 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.881 -26.142 -9.620 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.557 -25.205 -10.352 1.00 0.00 H new ATOM 864 N TRP A 56 -13.404 -24.114 -10.507 1.00 0.00 N ATOM 865 CA TRP A 56 -14.775 -24.601 -10.631 1.00 0.00 C ATOM 866 C TRP A 56 -14.822 -26.101 -10.308 1.00 0.00 C ATOM 867 O TRP A 56 -13.828 -26.812 -10.491 1.00 0.00 O ATOM 868 CB TRP A 56 -15.340 -24.257 -12.018 1.00 0.00 C ATOM 869 CG TRP A 56 -16.826 -24.399 -12.168 1.00 0.00 C ATOM 870 CD1 TRP A 56 -17.759 -23.842 -11.359 1.00 0.00 C ATOM 871 CD2 TRP A 56 -17.579 -25.133 -13.184 1.00 0.00 C ATOM 872 NE1 TRP A 56 -19.021 -24.182 -11.794 1.00 0.00 N ATOM 873 CE2 TRP A 56 -18.974 -24.977 -12.921 1.00 0.00 C ATOM 874 CE3 TRP A 56 -17.229 -25.913 -14.308 1.00 0.00 C ATOM 875 CZ2 TRP A 56 -19.965 -25.559 -13.727 1.00 0.00 C ATOM 876 CZ3 TRP A 56 -18.211 -26.508 -15.124 1.00 0.00 C ATOM 877 CH2 TRP A 56 -19.577 -26.333 -14.835 1.00 0.00 C ATOM 0 H TRP A 56 -12.975 -23.825 -11.386 1.00 0.00 H new ATOM 0 HA TRP A 56 -15.419 -24.101 -9.908 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -15.066 -23.230 -12.257 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -14.856 -24.896 -12.756 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -17.545 -23.223 -10.500 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -19.884 -23.883 -11.339 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -16.186 -26.056 -14.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -21.011 -25.414 -13.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -17.914 -27.102 -15.976 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -20.326 -26.792 -15.463 1.00 0.00 H new ATOM 888 N ASP A 57 -15.960 -26.580 -9.803 1.00 0.00 N ATOM 889 CA ASP A 57 -16.103 -27.969 -9.369 1.00 0.00 C ATOM 890 C ASP A 57 -15.961 -28.907 -10.570 1.00 0.00 C ATOM 891 O ASP A 57 -16.669 -28.736 -11.569 1.00 0.00 O ATOM 892 CB ASP A 57 -17.447 -28.194 -8.674 1.00 0.00 C ATOM 893 CG ASP A 57 -17.620 -29.687 -8.349 1.00 0.00 C ATOM 894 OD1 ASP A 57 -16.758 -30.241 -7.627 1.00 0.00 O ATOM 895 OD2 ASP A 57 -18.615 -30.296 -8.811 1.00 0.00 O ATOM 0 H ASP A 57 -16.804 -26.019 -9.684 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.314 -28.187 -8.650 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -17.497 -27.605 -7.758 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -18.260 -27.855 -9.316 1.00 0.00 H new ATOM 900 N PHE A 58 -15.032 -29.870 -10.474 1.00 0.00 N ATOM 901 CA PHE A 58 -14.620 -30.744 -11.573 1.00 0.00 C ATOM 902 C PHE A 58 -14.327 -29.935 -12.858 1.00 0.00 C ATOM 903 O PHE A 58 -14.694 -30.335 -13.969 1.00 0.00 O ATOM 904 CB PHE A 58 -15.619 -31.910 -11.733 1.00 0.00 C ATOM 905 CG PHE A 58 -15.237 -33.074 -12.645 1.00 0.00 C ATOM 906 CD1 PHE A 58 -13.903 -33.322 -13.039 1.00 0.00 C ATOM 907 CD2 PHE A 58 -16.252 -33.945 -13.086 1.00 0.00 C ATOM 908 CE1 PHE A 58 -13.598 -34.422 -13.861 1.00 0.00 C ATOM 909 CE2 PHE A 58 -15.947 -35.046 -13.907 1.00 0.00 C ATOM 910 CZ PHE A 58 -14.617 -35.285 -14.294 1.00 0.00 C ATOM 0 H PHE A 58 -14.536 -30.064 -9.604 1.00 0.00 H new ATOM 0 HA PHE A 58 -13.666 -31.215 -11.336 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -15.816 -32.316 -10.741 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -16.558 -31.495 -12.100 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -13.114 -32.664 -12.707 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -17.275 -33.766 -12.791 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -12.576 -34.603 -14.160 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -16.734 -35.707 -14.240 1.00 0.00 H new ATOM 0 HZ PHE A 58 -14.380 -36.130 -14.923 1.00 0.00 H new ATOM 920 N GLY A 59 -13.679 -28.773 -12.703 1.00 0.00 N ATOM 921 CA GLY A 59 -13.343 -27.842 -13.769 1.00 0.00 C ATOM 922 C GLY A 59 -11.953 -27.239 -13.561 1.00 0.00 C ATOM 923 O GLY A 59 -11.157 -27.733 -12.758 1.00 0.00 O ATOM 0 H GLY A 59 -13.364 -28.449 -11.788 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -13.379 -28.357 -14.729 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -14.086 -27.045 -13.807 1.00 0.00 H new ATOM 927 N GLU A 60 -11.655 -26.181 -14.316 1.00 0.00 N ATOM 928 CA GLU A 60 -10.343 -25.542 -14.386 1.00 0.00 C ATOM 929 C GLU A 60 -10.537 -24.033 -14.628 1.00 0.00 C ATOM 930 O GLU A 60 -11.655 -23.589 -14.902 1.00 0.00 O ATOM 931 CB GLU A 60 -9.538 -26.240 -15.506 1.00 0.00 C ATOM 932 CG GLU A 60 -8.046 -25.880 -15.561 1.00 0.00 C ATOM 933 CD GLU A 60 -7.277 -26.856 -16.473 1.00 0.00 C ATOM 934 OE1 GLU A 60 -7.250 -26.647 -17.710 1.00 0.00 O1- ATOM 935 OE2 GLU A 60 -6.684 -27.836 -15.957 1.00 0.00 O ATOM 0 H GLU A 60 -12.346 -25.731 -14.916 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.782 -25.643 -13.457 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.631 -27.319 -15.380 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.991 -25.991 -16.466 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.927 -24.861 -15.930 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.624 -25.906 -14.556 1.00 0.00 H new ATOM 942 N ILE A 61 -9.447 -23.264 -14.501 1.00 0.00 N ATOM 943 CA ILE A 61 -9.296 -21.836 -14.787 1.00 0.00 C ATOM 944 C ILE A 61 -10.251 -21.337 -15.892 1.00 0.00 C ATOM 945 O ILE A 61 -10.323 -21.905 -16.986 1.00 0.00 O ATOM 946 CB ILE A 61 -7.822 -21.572 -15.190 1.00 0.00 C ATOM 947 CG1 ILE A 61 -6.805 -22.185 -14.196 1.00 0.00 C ATOM 948 CG2 ILE A 61 -7.548 -20.077 -15.409 1.00 0.00 C ATOM 949 CD1 ILE A 61 -5.354 -21.736 -14.387 1.00 0.00 C ATOM 0 H ILE A 61 -8.571 -23.665 -14.165 1.00 0.00 H new ATOM 0 HA ILE A 61 -9.560 -21.280 -13.887 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.677 -22.083 -16.142 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.116 -21.933 -13.182 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.847 -23.271 -14.282 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.504 -19.936 -15.690 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.192 -19.702 -16.205 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.753 -19.531 -14.488 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.722 -22.221 -13.643 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.016 -22.012 -15.386 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.289 -20.654 -14.269 1.00 0.00 H new ATOM 961 N GLN A 62 -10.936 -20.229 -15.597 1.00 0.00 N ATOM 962 CA GLN A 62 -11.890 -19.566 -16.482 1.00 0.00 C ATOM 963 C GLN A 62 -11.132 -18.819 -17.583 1.00 0.00 C ATOM 964 O GLN A 62 -10.001 -18.379 -17.368 1.00 0.00 O ATOM 965 CB GLN A 62 -12.791 -18.598 -15.688 1.00 0.00 C ATOM 966 CG GLN A 62 -13.702 -19.263 -14.632 1.00 0.00 C ATOM 967 CD GLN A 62 -12.959 -19.964 -13.488 1.00 0.00 C ATOM 968 OE1 GLN A 62 -13.212 -21.125 -13.183 1.00 0.00 O ATOM 969 NE2 GLN A 62 -11.998 -19.298 -12.852 1.00 0.00 N ATOM 0 H GLN A 62 -10.836 -19.753 -14.700 1.00 0.00 H new ATOM 0 HA GLN A 62 -12.532 -20.319 -16.939 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -12.158 -17.865 -15.188 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -13.418 -18.050 -16.392 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -14.357 -18.502 -14.208 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -14.341 -19.992 -15.131 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.791 -18.333 -13.109 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.469 -19.753 -12.108 1.00 0.00 H new ATOM 978 N GLU A 63 -11.777 -18.623 -18.736 1.00 0.00 N ATOM 979 CA GLU A 63 -11.131 -18.138 -19.953 1.00 0.00 C ATOM 980 C GLU A 63 -10.387 -16.819 -19.727 1.00 0.00 C ATOM 981 O GLU A 63 -9.233 -16.706 -20.129 1.00 0.00 O ATOM 982 CB GLU A 63 -12.191 -18.008 -21.059 1.00 0.00 C ATOM 983 CG GLU A 63 -11.601 -17.533 -22.394 1.00 0.00 C ATOM 984 CD GLU A 63 -12.663 -17.525 -23.510 1.00 0.00 C ATOM 985 OE1 GLU A 63 -13.344 -16.489 -23.697 1.00 0.00 O ATOM 986 OE2 GLU A 63 -12.818 -18.552 -24.219 1.00 0.00 O ATOM 0 H GLU A 63 -12.775 -18.800 -18.849 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.373 -18.859 -20.260 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.678 -18.972 -21.205 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.961 -17.307 -20.737 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -11.189 -16.531 -22.275 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.776 -18.185 -22.681 1.00 0.00 H new ATOM 993 N ASP A 64 -11.004 -15.843 -19.053 1.00 0.00 N ATOM 994 CA ASP A 64 -10.404 -14.512 -18.893 1.00 0.00 C ATOM 995 C ASP A 64 -9.081 -14.562 -18.114 1.00 0.00 C ATOM 996 O ASP A 64 -8.145 -13.807 -18.383 1.00 0.00 O ATOM 997 CB ASP A 64 -11.377 -13.574 -18.172 1.00 0.00 C ATOM 998 CG ASP A 64 -10.803 -12.171 -18.015 1.00 0.00 C ATOM 999 OD1 ASP A 64 -10.227 -11.634 -18.994 1.00 0.00 O ATOM 1000 OD2 ASP A 64 -11.047 -11.598 -16.931 1.00 0.00 O ATOM 0 H ASP A 64 -11.917 -15.948 -18.610 1.00 0.00 H new ATOM 0 HA ASP A 64 -10.194 -14.136 -19.894 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.312 -13.523 -18.729 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -11.613 -13.982 -17.189 1.00 0.00 H new ATOM 1005 N TRP A 65 -8.986 -15.501 -17.170 1.00 0.00 N ATOM 1006 CA TRP A 65 -7.815 -15.687 -16.333 1.00 0.00 C ATOM 1007 C TRP A 65 -6.779 -16.521 -17.092 1.00 0.00 C ATOM 1008 O TRP A 65 -5.596 -16.184 -17.116 1.00 0.00 O ATOM 1009 CB TRP A 65 -8.274 -16.356 -15.035 1.00 0.00 C ATOM 1010 CG TRP A 65 -7.546 -16.018 -13.772 1.00 0.00 C ATOM 1011 CD1 TRP A 65 -8.000 -15.164 -12.828 1.00 0.00 C ATOM 1012 CD2 TRP A 65 -6.379 -16.659 -13.182 1.00 0.00 C ATOM 1013 NE1 TRP A 65 -7.219 -15.239 -11.698 1.00 0.00 N ATOM 1014 CE2 TRP A 65 -6.246 -16.195 -11.840 1.00 0.00 C ATOM 1015 CE3 TRP A 65 -5.505 -17.684 -13.595 1.00 0.00 C ATOM 1016 CZ2 TRP A 65 -5.338 -16.751 -10.937 1.00 0.00 C ATOM 1017 CZ3 TRP A 65 -4.617 -18.283 -12.682 1.00 0.00 C ATOM 1018 CH2 TRP A 65 -4.561 -17.838 -11.351 1.00 0.00 C ATOM 0 H TRP A 65 -9.737 -16.161 -16.968 1.00 0.00 H new ATOM 0 HA TRP A 65 -7.337 -14.739 -16.084 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -9.326 -16.113 -14.889 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -8.213 -17.435 -15.176 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -8.855 -14.515 -12.944 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -7.346 -14.662 -10.867 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -5.517 -18.014 -14.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -5.238 -16.350 -9.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -3.975 -19.089 -13.007 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -3.915 -18.337 -10.644 1.00 0.00 H new ATOM 1029 N GLU A 66 -7.212 -17.589 -17.770 1.00 0.00 N ATOM 1030 CA GLU A 66 -6.364 -18.488 -18.525 1.00 0.00 C ATOM 1031 C GLU A 66 -5.694 -17.726 -19.678 1.00 0.00 C ATOM 1032 O GLU A 66 -4.533 -17.989 -19.993 1.00 0.00 O ATOM 1033 CB GLU A 66 -7.242 -19.666 -18.990 1.00 0.00 C ATOM 1034 CG GLU A 66 -6.750 -20.252 -20.303 1.00 0.00 C ATOM 1035 CD GLU A 66 -7.509 -21.532 -20.689 1.00 0.00 C ATOM 1036 OE1 GLU A 66 -8.630 -21.430 -21.243 1.00 0.00 O1- ATOM 1037 OE2 GLU A 66 -6.976 -22.645 -20.467 1.00 0.00 O ATOM 0 H GLU A 66 -8.197 -17.851 -17.803 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.548 -18.888 -17.923 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.245 -20.442 -18.224 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.272 -19.328 -19.106 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.864 -19.511 -21.095 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.686 -20.473 -20.224 1.00 0.00 H new ATOM 1044 N ALA A 67 -6.407 -16.763 -20.267 1.00 0.00 N ATOM 1045 CA ALA A 67 -5.956 -16.005 -21.429 1.00 0.00 C ATOM 1046 C ALA A 67 -4.647 -15.265 -21.148 1.00 0.00 C ATOM 1047 O ALA A 67 -3.895 -14.966 -22.078 1.00 0.00 O ATOM 1048 CB ALA A 67 -7.033 -14.994 -21.824 1.00 0.00 C ATOM 0 H ALA A 67 -7.332 -16.485 -19.940 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.778 -16.709 -22.242 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.698 -14.426 -22.692 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.955 -15.521 -22.069 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.215 -14.313 -20.993 1.00 0.00 H new ATOM 1054 N VAL A 68 -4.379 -14.980 -19.872 1.00 0.00 N ATOM 1055 CA VAL A 68 -3.152 -14.334 -19.428 1.00 0.00 C ATOM 1056 C VAL A 68 -2.296 -15.239 -18.555 1.00 0.00 C ATOM 1057 O VAL A 68 -1.128 -14.915 -18.380 1.00 0.00 O ATOM 1058 CB VAL A 68 -3.465 -13.002 -18.732 1.00 0.00 C ATOM 1059 CG1 VAL A 68 -4.162 -12.041 -19.702 1.00 0.00 C ATOM 1060 CG2 VAL A 68 -4.314 -13.174 -17.472 1.00 0.00 C ATOM 0 H VAL A 68 -5.021 -15.197 -19.110 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.557 -14.124 -20.317 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.508 -12.583 -18.421 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.377 -11.102 -19.192 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.511 -11.850 -20.556 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.094 -12.487 -20.049 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.502 -12.198 -17.024 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.263 -13.642 -17.734 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.783 -13.804 -16.759 1.00 0.00 H new ATOM 1070 N TRP A 69 -2.820 -16.350 -18.030 1.00 0.00 N ATOM 1071 CA TRP A 69 -2.109 -17.257 -17.129 1.00 0.00 C ATOM 1072 C TRP A 69 -0.761 -17.677 -17.723 1.00 0.00 C ATOM 1073 O TRP A 69 0.253 -17.693 -17.031 1.00 0.00 O ATOM 1074 CB TRP A 69 -3.011 -18.466 -16.849 1.00 0.00 C ATOM 1075 CG TRP A 69 -2.441 -19.551 -15.991 1.00 0.00 C ATOM 1076 CD1 TRP A 69 -1.939 -19.388 -14.746 1.00 0.00 C ATOM 1077 CD2 TRP A 69 -2.326 -20.976 -16.286 1.00 0.00 C ATOM 1078 NE1 TRP A 69 -1.514 -20.610 -14.255 1.00 0.00 N ATOM 1079 CE2 TRP A 69 -1.707 -21.618 -15.173 1.00 0.00 C ATOM 1080 CE3 TRP A 69 -2.686 -21.803 -17.374 1.00 0.00 C ATOM 1081 CZ2 TRP A 69 -1.430 -22.989 -15.154 1.00 0.00 C ATOM 1082 CZ3 TRP A 69 -2.427 -23.187 -17.359 1.00 0.00 C ATOM 1083 CH2 TRP A 69 -1.792 -23.781 -16.254 1.00 0.00 C ATOM 0 H TRP A 69 -3.775 -16.650 -18.226 1.00 0.00 H new ATOM 0 HA TRP A 69 -1.887 -16.751 -16.189 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -3.925 -18.105 -16.377 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -3.297 -18.904 -17.805 1.00 0.00 H new ATOM 0 HD1 TRP A 69 -1.879 -18.449 -14.216 1.00 0.00 H new ATOM 0 HE1 TRP A 69 -1.109 -20.747 -13.329 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -3.170 -21.365 -18.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 -0.942 -23.434 -14.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -2.718 -23.796 -18.202 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -1.584 -24.841 -16.252 1.00 0.00 H new ATOM 1094 N ASP A 70 -0.736 -17.906 -19.033 1.00 0.00 N ATOM 1095 CA ASP A 70 0.451 -18.278 -19.796 1.00 0.00 C ATOM 1096 C ASP A 70 1.490 -17.143 -19.894 1.00 0.00 C ATOM 1097 O ASP A 70 2.681 -17.411 -20.048 1.00 0.00 O ATOM 1098 CB ASP A 70 -0.016 -18.721 -21.189 1.00 0.00 C ATOM 1099 CG ASP A 70 1.166 -19.139 -22.080 1.00 0.00 C ATOM 1100 OD1 ASP A 70 1.747 -20.225 -21.844 1.00 0.00 O1- ATOM 1101 OD2 ASP A 70 1.496 -18.398 -23.038 1.00 0.00 O ATOM 0 H ASP A 70 -1.572 -17.835 -19.613 1.00 0.00 H new ATOM 0 HA ASP A 70 0.963 -19.089 -19.278 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.711 -19.555 -21.091 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -0.561 -17.906 -21.666 1.00 0.00 H new ATOM 1106 N GLN A 71 1.064 -15.881 -19.749 1.00 0.00 N ATOM 1107 CA GLN A 71 1.905 -14.692 -19.825 1.00 0.00 C ATOM 1108 C GLN A 71 2.439 -14.281 -18.454 1.00 0.00 C ATOM 1109 O GLN A 71 3.461 -13.608 -18.375 1.00 0.00 O ATOM 1110 CB GLN A 71 1.124 -13.521 -20.449 1.00 0.00 C ATOM 1111 CG GLN A 71 0.711 -13.821 -21.901 1.00 0.00 C ATOM 1112 CD GLN A 71 0.408 -12.544 -22.685 1.00 0.00 C ATOM 1113 OE1 GLN A 71 1.044 -12.239 -23.692 1.00 0.00 O ATOM 1114 NE2 GLN A 71 -0.554 -11.755 -22.227 1.00 0.00 N ATOM 0 H GLN A 71 0.085 -15.658 -19.569 1.00 0.00 H new ATOM 0 HA GLN A 71 2.758 -14.941 -20.457 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.235 -13.318 -19.852 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.737 -12.620 -20.424 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.509 -14.371 -22.399 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.169 -14.465 -21.902 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.075 -12.019 -21.391 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.773 -10.884 -22.711 1.00 0.00 H new ATOM 1123 N LEU A 72 1.757 -14.665 -17.370 1.00 0.00 N ATOM 1124 CA LEU A 72 2.093 -14.177 -16.029 1.00 0.00 C ATOM 1125 C LEU A 72 3.486 -14.637 -15.594 1.00 0.00 C ATOM 1126 O LEU A 72 4.123 -13.959 -14.792 1.00 0.00 O ATOM 1127 CB LEU A 72 1.043 -14.610 -14.987 1.00 0.00 C ATOM 1128 CG LEU A 72 -0.411 -14.223 -15.298 1.00 0.00 C ATOM 1129 CD1 LEU A 72 -1.280 -14.436 -14.061 1.00 0.00 C ATOM 1130 CD2 LEU A 72 -0.581 -12.789 -15.806 1.00 0.00 C ATOM 0 H LEU A 72 0.969 -15.312 -17.395 1.00 0.00 H new ATOM 0 HA LEU A 72 2.093 -13.088 -16.083 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.094 -15.693 -14.876 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.315 -14.178 -14.024 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.729 -14.875 -16.112 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.310 -14.160 -14.288 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.242 -15.485 -13.766 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.909 -13.816 -13.245 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.636 -12.595 -16.002 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.218 -12.090 -15.052 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.011 -12.659 -16.726 1.00 0.00 H new ATOM 1142 N ASP A 73 3.975 -15.756 -16.138 1.00 0.00 N ATOM 1143 CA ASP A 73 5.321 -16.251 -15.834 1.00 0.00 C ATOM 1144 C ASP A 73 6.403 -15.333 -16.426 1.00 0.00 C ATOM 1145 O ASP A 73 7.521 -15.299 -15.915 1.00 0.00 O ATOM 1146 CB ASP A 73 5.490 -17.705 -16.302 1.00 0.00 C ATOM 1147 CG ASP A 73 6.963 -18.155 -16.324 1.00 0.00 C ATOM 1148 OD1 ASP A 73 7.495 -18.524 -15.250 1.00 0.00 O1- ATOM 1149 OD2 ASP A 73 7.565 -18.203 -17.425 1.00 0.00 O ATOM 0 H ASP A 73 3.455 -16.339 -16.794 1.00 0.00 H new ATOM 0 HA ASP A 73 5.447 -16.237 -14.751 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.923 -18.363 -15.643 1.00 0.00 H new ATOM 0 HB3 ASP A 73 5.067 -17.813 -17.301 1.00 0.00 H new ATOM 1154 N ASP A 74 6.088 -14.528 -17.449 1.00 0.00 N ATOM 1155 CA ASP A 74 7.065 -13.641 -18.088 1.00 0.00 C ATOM 1156 C ASP A 74 7.368 -12.390 -17.248 1.00 0.00 C ATOM 1157 O ASP A 74 8.442 -11.796 -17.373 1.00 0.00 O ATOM 1158 CB ASP A 74 6.572 -13.230 -19.479 1.00 0.00 C ATOM 1159 CG ASP A 74 7.629 -12.380 -20.209 1.00 0.00 C ATOM 1160 OD1 ASP A 74 8.684 -12.935 -20.602 1.00 0.00 O ATOM 1161 OD2 ASP A 74 7.389 -11.171 -20.439 1.00 0.00 O1- ATOM 0 H ASP A 74 5.154 -14.474 -17.854 1.00 0.00 H new ATOM 0 HA ASP A 74 7.995 -14.202 -18.175 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.346 -14.120 -20.067 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.645 -12.664 -19.388 1.00 0.00 H new ATOM 1166 N LEU A 75 6.435 -11.995 -16.373 1.00 0.00 N ATOM 1167 CA LEU A 75 6.459 -10.733 -15.645 1.00 0.00 C ATOM 1168 C LEU A 75 7.630 -10.671 -14.671 1.00 0.00 C ATOM 1169 O LEU A 75 8.034 -11.684 -14.096 1.00 0.00 O ATOM 1170 CB LEU A 75 5.131 -10.524 -14.896 1.00 0.00 C ATOM 1171 CG LEU A 75 3.867 -10.554 -15.777 1.00 0.00 C ATOM 1172 CD1 LEU A 75 2.650 -10.175 -14.931 1.00 0.00 C ATOM 1173 CD2 LEU A 75 3.948 -9.617 -16.985 1.00 0.00 C ATOM 0 H LEU A 75 5.620 -12.567 -16.150 1.00 0.00 H new ATOM 0 HA LEU A 75 6.588 -9.932 -16.372 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.039 -11.295 -14.131 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.171 -9.565 -14.379 1.00 0.00 H new ATOM 0 HG LEU A 75 3.777 -11.569 -16.164 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.754 -10.195 -15.552 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.540 -10.886 -14.112 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.787 -9.173 -14.525 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.026 -9.687 -17.562 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.084 -8.591 -16.642 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.792 -9.904 -17.612 1.00 0.00 H new ATOM 1185 N ASN A 76 8.139 -9.468 -14.430 1.00 0.00 N ATOM 1186 CA ASN A 76 9.142 -9.201 -13.406 1.00 0.00 C ATOM 1187 C ASN A 76 8.430 -9.014 -12.066 1.00 0.00 C ATOM 1188 O ASN A 76 7.671 -8.058 -11.913 1.00 0.00 O ATOM 1189 CB ASN A 76 9.964 -7.958 -13.776 1.00 0.00 C ATOM 1190 CG ASN A 76 11.060 -7.727 -12.741 1.00 0.00 C ATOM 1191 OD1 ASN A 76 10.919 -6.925 -11.825 1.00 0.00 O ATOM 1192 ND2 ASN A 76 12.153 -8.467 -12.841 1.00 0.00 N ATOM 0 H ASN A 76 7.861 -8.636 -14.950 1.00 0.00 H new ATOM 0 HA ASN A 76 9.834 -10.039 -13.331 1.00 0.00 H new ATOM 0 HB2 ASN A 76 10.407 -8.086 -14.764 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.314 -7.085 -13.829 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.896 -8.375 -12.148 1.00 0.00 H new ATOM 0 HD22 ASN A 76 12.252 -9.129 -13.611 1.00 0.00 H new ATOM 1199 N LEU A 77 8.637 -9.934 -11.111 1.00 0.00 N ATOM 1200 CA LEU A 77 7.893 -9.964 -9.841 1.00 0.00 C ATOM 1201 C LEU A 77 8.801 -10.038 -8.607 1.00 0.00 C ATOM 1202 O LEU A 77 8.285 -10.147 -7.497 1.00 0.00 O ATOM 1203 CB LEU A 77 6.922 -11.168 -9.817 1.00 0.00 C ATOM 1204 CG LEU A 77 5.916 -11.317 -10.973 1.00 0.00 C ATOM 1205 CD1 LEU A 77 5.074 -12.561 -10.722 1.00 0.00 C ATOM 1206 CD2 LEU A 77 4.952 -10.127 -11.060 1.00 0.00 C ATOM 0 H LEU A 77 9.327 -10.680 -11.198 1.00 0.00 H new ATOM 0 HA LEU A 77 7.345 -9.023 -9.791 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.521 -12.078 -9.778 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.355 -11.120 -8.887 1.00 0.00 H new ATOM 0 HG LEU A 77 6.486 -11.377 -11.900 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.355 -12.683 -11.532 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.722 -13.436 -10.678 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.542 -12.455 -9.777 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.262 -10.278 -11.890 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.389 -10.046 -10.130 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.519 -9.210 -11.222 1.00 0.00 H new ATOM 1218 N GLU A 78 10.126 -10.031 -8.776 1.00 0.00 N ATOM 1219 CA GLU A 78 11.063 -10.333 -7.697 1.00 0.00 C ATOM 1220 C GLU A 78 10.834 -9.425 -6.492 1.00 0.00 C ATOM 1221 O GLU A 78 10.740 -8.199 -6.604 1.00 0.00 O ATOM 1222 CB GLU A 78 12.518 -10.253 -8.183 1.00 0.00 C ATOM 1223 CG GLU A 78 12.926 -11.556 -8.873 1.00 0.00 C ATOM 1224 CD GLU A 78 14.387 -11.501 -9.357 1.00 0.00 C ATOM 1225 OE1 GLU A 78 14.636 -11.034 -10.497 1.00 0.00 O ATOM 1226 OE2 GLU A 78 15.298 -11.930 -8.606 1.00 0.00 O1- ATOM 0 H GLU A 78 10.577 -9.816 -9.665 1.00 0.00 H new ATOM 0 HA GLU A 78 10.876 -11.358 -7.378 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.631 -9.418 -8.874 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.179 -10.059 -7.338 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.801 -12.390 -8.182 1.00 0.00 H new ATOM 0 HG3 GLU A 78 12.267 -11.743 -9.721 1.00 0.00 H new ATOM 1233 N GLY A 79 10.749 -10.071 -5.332 1.00 0.00 N ATOM 1234 CA GLY A 79 10.600 -9.441 -4.029 1.00 0.00 C ATOM 1235 C GLY A 79 9.213 -8.852 -3.746 1.00 0.00 C ATOM 1236 O GLY A 79 9.012 -8.352 -2.637 1.00 0.00 O ATOM 0 H GLY A 79 10.784 -11.089 -5.275 1.00 0.00 H new ATOM 0 HA2 GLY A 79 10.829 -10.177 -3.258 1.00 0.00 H new ATOM 0 HA3 GLY A 79 11.340 -8.646 -3.940 1.00 0.00 H new ATOM 1240 N LYS A 80 8.246 -8.889 -4.681 1.00 0.00 N ATOM 1241 CA LYS A 80 6.941 -8.276 -4.450 1.00 0.00 C ATOM 1242 C LYS A 80 6.139 -9.130 -3.474 1.00 0.00 C ATOM 1243 O LYS A 80 6.285 -10.354 -3.449 1.00 0.00 O ATOM 1244 CB LYS A 80 6.224 -7.893 -5.765 1.00 0.00 C ATOM 1245 CG LYS A 80 5.202 -8.878 -6.349 1.00 0.00 C ATOM 1246 CD LYS A 80 4.172 -8.204 -7.283 1.00 0.00 C ATOM 1247 CE LYS A 80 4.696 -7.474 -8.547 1.00 0.00 C ATOM 1248 NZ LYS A 80 5.197 -6.086 -8.301 1.00 0.00 N1+ ATOM 0 H LYS A 80 8.349 -9.334 -5.593 1.00 0.00 H new ATOM 0 HA LYS A 80 7.068 -7.309 -3.963 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.715 -6.943 -5.602 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.988 -7.719 -6.522 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.730 -9.655 -6.902 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.674 -9.371 -5.532 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.467 -8.969 -7.609 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.608 -7.482 -6.692 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.501 -8.065 -8.984 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.895 -7.432 -9.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.175 -5.546 -9.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.591 -5.618 -7.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.173 -6.127 -7.945 1.00 0.00 H new ATOM 1262 N ILE A 81 5.274 -8.495 -2.692 1.00 0.00 N ATOM 1263 CA ILE A 81 4.420 -9.193 -1.740 1.00 0.00 C ATOM 1264 C ILE A 81 3.246 -9.748 -2.545 1.00 0.00 C ATOM 1265 O ILE A 81 2.675 -9.050 -3.378 1.00 0.00 O ATOM 1266 CB ILE A 81 3.985 -8.299 -0.549 1.00 0.00 C ATOM 1267 CG1 ILE A 81 5.144 -7.444 0.024 1.00 0.00 C ATOM 1268 CG2 ILE A 81 3.381 -9.200 0.548 1.00 0.00 C ATOM 1269 CD1 ILE A 81 4.793 -6.646 1.290 1.00 0.00 C ATOM 0 H ILE A 81 5.145 -7.483 -2.700 1.00 0.00 H new ATOM 0 HA ILE A 81 4.963 -10.005 -1.256 1.00 0.00 H new ATOM 0 HB ILE A 81 3.243 -7.589 -0.914 1.00 0.00 H new ATOM 0 HG12 ILE A 81 5.985 -8.101 0.247 1.00 0.00 H new ATOM 0 HG13 ILE A 81 5.478 -6.748 -0.746 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.070 -8.586 1.393 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.517 -9.731 0.148 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.128 -9.921 0.879 1.00 0.00 H new ATOM 0 HD11 ILE A 81 5.665 -6.080 1.616 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.975 -5.959 1.072 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.490 -7.333 2.080 1.00 0.00 H new ATOM 1281 N VAL A 82 2.872 -10.997 -2.299 1.00 0.00 N ATOM 1282 CA VAL A 82 1.799 -11.674 -3.023 1.00 0.00 C ATOM 1283 C VAL A 82 0.818 -12.288 -2.032 1.00 0.00 C ATOM 1284 O VAL A 82 1.236 -13.049 -1.163 1.00 0.00 O ATOM 1285 CB VAL A 82 2.404 -12.713 -3.987 1.00 0.00 C ATOM 1286 CG1 VAL A 82 1.335 -13.612 -4.625 1.00 0.00 C ATOM 1287 CG2 VAL A 82 3.181 -12.016 -5.116 1.00 0.00 C ATOM 0 H VAL A 82 3.309 -11.577 -1.583 1.00 0.00 H new ATOM 0 HA VAL A 82 1.238 -10.961 -3.627 1.00 0.00 H new ATOM 0 HB VAL A 82 3.071 -13.333 -3.388 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.813 -14.326 -5.295 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.799 -14.151 -3.844 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.633 -12.998 -5.190 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.601 -12.766 -5.786 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.507 -11.367 -5.675 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.987 -11.420 -4.689 1.00 0.00 H new ATOM 1297 N ALA A 83 -0.479 -12.013 -2.189 1.00 0.00 N ATOM 1298 CA ALA A 83 -1.531 -12.732 -1.480 1.00 0.00 C ATOM 1299 C ALA A 83 -2.069 -13.788 -2.435 1.00 0.00 C ATOM 1300 O ALA A 83 -2.215 -13.509 -3.625 1.00 0.00 O ATOM 1301 CB ALA A 83 -2.663 -11.801 -1.021 1.00 0.00 C ATOM 0 H ALA A 83 -0.826 -11.284 -2.813 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.121 -13.182 -0.576 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.423 -12.382 -0.498 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.261 -11.042 -0.350 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -3.110 -11.317 -1.889 1.00 0.00 H new ATOM 1307 N LEU A 84 -2.429 -14.956 -1.921 1.00 0.00 N ATOM 1308 CA LEU A 84 -3.033 -16.028 -2.703 1.00 0.00 C ATOM 1309 C LEU A 84 -4.372 -16.346 -2.070 1.00 0.00 C ATOM 1310 O LEU A 84 -4.428 -16.532 -0.856 1.00 0.00 O ATOM 1311 CB LEU A 84 -2.120 -17.266 -2.661 1.00 0.00 C ATOM 1312 CG LEU A 84 -1.032 -17.274 -3.743 1.00 0.00 C ATOM 1313 CD1 LEU A 84 0.116 -18.192 -3.323 1.00 0.00 C ATOM 1314 CD2 LEU A 84 -1.590 -17.777 -5.082 1.00 0.00 C ATOM 0 H LEU A 84 -2.308 -15.190 -0.935 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.164 -15.732 -3.744 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.645 -17.322 -1.682 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.733 -18.161 -2.769 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.676 -16.251 -3.862 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.884 -18.192 -4.097 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.544 -17.834 -2.387 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.260 -19.206 -3.186 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.798 -17.772 -5.831 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.968 -18.792 -4.960 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.400 -17.124 -5.407 1.00 0.00 H new ATOM 1326 N TYR A 85 -5.438 -16.447 -2.854 1.00 0.00 N ATOM 1327 CA TYR A 85 -6.692 -16.988 -2.385 1.00 0.00 C ATOM 1328 C TYR A 85 -7.407 -17.627 -3.557 1.00 0.00 C ATOM 1329 O TYR A 85 -7.084 -17.392 -4.722 1.00 0.00 O ATOM 1330 CB TYR A 85 -7.566 -15.931 -1.698 1.00 0.00 C ATOM 1331 CG TYR A 85 -8.292 -14.948 -2.587 1.00 0.00 C ATOM 1332 CD1 TYR A 85 -7.676 -13.730 -2.916 1.00 0.00 C ATOM 1333 CD2 TYR A 85 -9.604 -15.218 -3.026 1.00 0.00 C ATOM 1334 CE1 TYR A 85 -8.362 -12.795 -3.704 1.00 0.00 C ATOM 1335 CE2 TYR A 85 -10.292 -14.287 -3.825 1.00 0.00 C ATOM 1336 CZ TYR A 85 -9.669 -13.065 -4.166 1.00 0.00 C ATOM 1337 OH TYR A 85 -10.310 -12.148 -4.943 1.00 0.00 O ATOM 0 H TYR A 85 -5.450 -16.154 -3.831 1.00 0.00 H new ATOM 0 HA TYR A 85 -6.489 -17.740 -1.622 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -8.309 -16.450 -1.092 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -6.935 -15.364 -1.013 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -6.678 -13.514 -2.564 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -10.084 -16.145 -2.747 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -7.887 -11.860 -3.960 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -11.290 -14.505 -4.176 1.00 0.00 H new ATOM 0 HH TYR A 85 -11.200 -12.484 -5.179 1.00 0.00 H new ATOM 1347 N GLY A 86 -8.411 -18.428 -3.243 1.00 0.00 N ATOM 1348 CA GLY A 86 -9.300 -18.963 -4.234 1.00 0.00 C ATOM 1349 C GLY A 86 -10.543 -19.497 -3.568 1.00 0.00 C ATOM 1350 O GLY A 86 -10.693 -19.474 -2.345 1.00 0.00 O ATOM 0 H GLY A 86 -8.625 -18.720 -2.289 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -9.566 -18.189 -4.954 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -8.804 -19.758 -4.790 1.00 0.00 H new ATOM 1354 N LEU A 87 -11.443 -19.979 -4.405 1.00 0.00 N ATOM 1355 CA LEU A 87 -12.704 -20.572 -4.023 1.00 0.00 C ATOM 1356 C LEU A 87 -12.788 -21.933 -4.691 1.00 0.00 C ATOM 1357 O LEU A 87 -12.181 -22.139 -5.740 1.00 0.00 O ATOM 1358 CB LEU A 87 -13.805 -19.579 -4.433 1.00 0.00 C ATOM 1359 CG LEU A 87 -15.242 -20.109 -4.303 1.00 0.00 C ATOM 1360 CD1 LEU A 87 -16.174 -18.954 -3.935 1.00 0.00 C ATOM 1361 CD2 LEU A 87 -15.670 -20.725 -5.641 1.00 0.00 C ATOM 0 H LEU A 87 -11.305 -19.965 -5.416 1.00 0.00 H new ATOM 0 HA LEU A 87 -12.816 -20.748 -2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.709 -18.681 -3.822 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.637 -19.280 -5.468 1.00 0.00 H new ATOM 0 HG LEU A 87 -15.292 -20.869 -3.524 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -17.194 -19.325 -3.842 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -15.858 -18.519 -2.987 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -16.135 -18.193 -4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -16.689 -21.104 -5.558 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -15.628 -19.965 -6.421 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -14.998 -21.544 -5.896 1.00 0.00 H new ATOM 1373 N GLY A 88 -13.564 -22.841 -4.122 1.00 0.00 N ATOM 1374 CA GLY A 88 -13.912 -24.103 -4.752 1.00 0.00 C ATOM 1375 C GLY A 88 -15.178 -24.649 -4.106 1.00 0.00 C ATOM 1376 O GLY A 88 -15.918 -23.903 -3.460 1.00 0.00 O ATOM 0 H GLY A 88 -13.975 -22.720 -3.197 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -14.067 -23.959 -5.821 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -13.095 -24.816 -4.641 1.00 0.00 H new ATOM 1380 N ASP A 89 -15.406 -25.950 -4.254 1.00 0.00 N ATOM 1381 CA ASP A 89 -16.443 -26.673 -3.532 1.00 0.00 C ATOM 1382 C ASP A 89 -15.758 -27.751 -2.712 1.00 0.00 C ATOM 1383 O ASP A 89 -15.101 -28.634 -3.268 1.00 0.00 O ATOM 1384 CB ASP A 89 -17.457 -27.286 -4.500 1.00 0.00 C ATOM 1385 CG ASP A 89 -18.452 -28.214 -3.778 1.00 0.00 C ATOM 1386 OD1 ASP A 89 -18.650 -28.068 -2.547 1.00 0.00 O ATOM 1387 OD2 ASP A 89 -19.055 -29.070 -4.463 1.00 0.00 O ATOM 0 H ASP A 89 -14.867 -26.539 -4.889 1.00 0.00 H new ATOM 0 HA ASP A 89 -16.996 -25.995 -2.882 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -18.004 -26.490 -5.005 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -16.929 -27.848 -5.270 1.00 0.00 H new ATOM 1392 N GLN A 90 -15.889 -27.683 -1.393 1.00 0.00 N ATOM 1393 CA GLN A 90 -15.301 -28.648 -0.475 1.00 0.00 C ATOM 1394 C GLN A 90 -16.019 -30.003 -0.572 1.00 0.00 C ATOM 1395 O GLN A 90 -15.408 -31.028 -0.262 1.00 0.00 O ATOM 1396 CB GLN A 90 -15.330 -28.068 0.951 1.00 0.00 C ATOM 1397 CG GLN A 90 -14.489 -26.780 1.080 1.00 0.00 C ATOM 1398 CD GLN A 90 -14.616 -26.084 2.436 1.00 0.00 C ATOM 1399 OE1 GLN A 90 -13.653 -25.527 2.962 1.00 0.00 O ATOM 1400 NE2 GLN A 90 -15.800 -26.001 3.023 1.00 0.00 N ATOM 0 H GLN A 90 -16.415 -26.945 -0.925 1.00 0.00 H new ATOM 0 HA GLN A 90 -14.262 -28.832 -0.747 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -16.361 -27.855 1.233 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -14.956 -28.815 1.652 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -13.441 -27.024 0.906 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -14.788 -26.084 0.297 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -16.611 -26.456 2.603 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -15.901 -25.482 3.895 1.00 0.00 H new ATOM 1409 N LEU A 91 -17.263 -30.055 -1.070 1.00 0.00 N ATOM 1410 CA LEU A 91 -17.927 -31.315 -1.416 1.00 0.00 C ATOM 1411 C LEU A 91 -17.375 -31.889 -2.733 1.00 0.00 C ATOM 1412 O LEU A 91 -17.765 -32.992 -3.119 1.00 0.00 O ATOM 1413 CB LEU A 91 -19.464 -31.177 -1.449 1.00 0.00 C ATOM 1414 CG LEU A 91 -20.121 -30.930 -0.077 1.00 0.00 C ATOM 1415 CD1 LEU A 91 -21.637 -30.789 -0.256 1.00 0.00 C ATOM 1416 CD2 LEU A 91 -19.845 -32.049 0.935 1.00 0.00 C ATOM 0 H LEU A 91 -17.833 -29.227 -1.243 1.00 0.00 H new ATOM 0 HA LEU A 91 -17.699 -32.028 -0.623 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -19.727 -30.355 -2.115 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -19.887 -32.084 -1.880 1.00 0.00 H new ATOM 0 HG LEU A 91 -19.682 -30.015 0.321 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -22.103 -30.614 0.714 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -21.849 -29.949 -0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -22.039 -31.704 -0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -20.335 -31.814 1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -20.233 -32.992 0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -18.771 -32.137 1.096 1.00 0.00 H new ATOM 1428 N GLY A 92 -16.421 -31.210 -3.382 1.00 0.00 N ATOM 1429 CA GLY A 92 -15.624 -31.728 -4.489 1.00 0.00 C ATOM 1430 C GLY A 92 -14.518 -32.679 -4.010 1.00 0.00 C ATOM 1431 O GLY A 92 -13.515 -32.855 -4.705 1.00 0.00 O ATOM 0 H GLY A 92 -16.178 -30.250 -3.138 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -16.274 -32.253 -5.189 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -15.176 -30.896 -5.033 1.00 0.00 H new ATOM 1435 N TYR A 93 -14.648 -33.229 -2.795 1.00 0.00 N ATOM 1436 CA TYR A 93 -13.825 -34.284 -2.199 1.00 0.00 C ATOM 1437 C TYR A 93 -12.347 -33.931 -2.011 1.00 0.00 C ATOM 1438 O TYR A 93 -11.563 -34.781 -1.581 1.00 0.00 O ATOM 1439 CB TYR A 93 -14.019 -35.609 -2.964 1.00 0.00 C ATOM 1440 CG TYR A 93 -15.467 -36.001 -3.216 1.00 0.00 C ATOM 1441 CD1 TYR A 93 -16.282 -36.427 -2.148 1.00 0.00 C ATOM 1442 CD2 TYR A 93 -15.997 -35.935 -4.520 1.00 0.00 C ATOM 1443 CE1 TYR A 93 -17.628 -36.768 -2.376 1.00 0.00 C ATOM 1444 CE2 TYR A 93 -17.340 -36.277 -4.756 1.00 0.00 C ATOM 1445 CZ TYR A 93 -18.165 -36.691 -3.684 1.00 0.00 C ATOM 1446 OH TYR A 93 -19.467 -37.025 -3.929 1.00 0.00 O ATOM 0 H TYR A 93 -15.385 -32.924 -2.159 1.00 0.00 H new ATOM 0 HA TYR A 93 -14.188 -34.404 -1.178 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.506 -35.536 -3.923 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.534 -36.409 -2.404 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -15.872 -36.492 -1.151 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -15.369 -35.621 -5.341 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -18.251 -37.088 -1.554 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -17.742 -36.224 -5.757 1.00 0.00 H new ATOM 0 HH TYR A 93 -19.660 -36.910 -4.883 1.00 0.00 H new ATOM 1456 N GLY A 94 -11.940 -32.699 -2.336 1.00 0.00 N ATOM 1457 CA GLY A 94 -10.541 -32.311 -2.292 1.00 0.00 C ATOM 1458 C GLY A 94 -9.756 -32.979 -3.423 1.00 0.00 C ATOM 1459 O GLY A 94 -8.539 -33.135 -3.318 1.00 0.00 O ATOM 0 H GLY A 94 -12.571 -31.955 -2.633 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -10.457 -31.227 -2.375 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -10.111 -32.591 -1.330 1.00 0.00 H new ATOM 1463 N GLU A 95 -10.455 -33.413 -4.478 1.00 0.00 N ATOM 1464 CA GLU A 95 -9.863 -33.824 -5.748 1.00 0.00 C ATOM 1465 C GLU A 95 -9.675 -32.577 -6.626 1.00 0.00 C ATOM 1466 O GLU A 95 -8.757 -32.517 -7.445 1.00 0.00 O ATOM 1467 CB GLU A 95 -10.778 -34.839 -6.459 1.00 0.00 C ATOM 1468 CG GLU A 95 -10.744 -36.222 -5.802 1.00 0.00 C ATOM 1469 CD GLU A 95 -11.578 -37.250 -6.594 1.00 0.00 C ATOM 1470 OE1 GLU A 95 -11.100 -37.739 -7.647 1.00 0.00 O ATOM 1471 OE2 GLU A 95 -12.692 -37.616 -6.145 1.00 0.00 O ATOM 0 H GLU A 95 -11.472 -33.489 -4.468 1.00 0.00 H new ATOM 0 HA GLU A 95 -8.899 -34.301 -5.569 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.802 -34.464 -6.456 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -10.474 -34.928 -7.502 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -9.712 -36.567 -5.732 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -11.126 -36.151 -4.784 1.00 0.00 H new ATOM 1478 N TRP A 96 -10.532 -31.565 -6.428 1.00 0.00 N ATOM 1479 CA TRP A 96 -10.667 -30.400 -7.304 1.00 0.00 C ATOM 1480 C TRP A 96 -10.536 -29.060 -6.567 1.00 0.00 C ATOM 1481 O TRP A 96 -10.703 -28.002 -7.176 1.00 0.00 O ATOM 1482 CB TRP A 96 -12.046 -30.530 -7.972 1.00 0.00 C ATOM 1483 CG TRP A 96 -12.236 -31.778 -8.787 1.00 0.00 C ATOM 1484 CD1 TRP A 96 -11.389 -32.226 -9.741 1.00 0.00 C ATOM 1485 CD2 TRP A 96 -13.298 -32.779 -8.707 1.00 0.00 C ATOM 1486 NE1 TRP A 96 -11.848 -33.420 -10.256 1.00 0.00 N ATOM 1487 CE2 TRP A 96 -13.019 -33.812 -9.650 1.00 0.00 C ATOM 1488 CE3 TRP A 96 -14.469 -32.928 -7.935 1.00 0.00 C ATOM 1489 CZ2 TRP A 96 -13.848 -34.929 -9.819 1.00 0.00 C ATOM 1490 CZ3 TRP A 96 -15.314 -34.046 -8.095 1.00 0.00 C ATOM 1491 CH2 TRP A 96 -15.007 -35.047 -9.033 1.00 0.00 C ATOM 0 H TRP A 96 -11.167 -31.537 -5.630 1.00 0.00 H new ATOM 0 HA TRP A 96 -9.855 -30.392 -8.031 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -12.813 -30.498 -7.199 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -12.205 -29.665 -8.616 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -10.486 -31.723 -10.054 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -11.379 -33.946 -10.993 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -14.724 -32.172 -7.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -13.599 -35.690 -10.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -16.205 -34.134 -7.491 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -15.658 -35.901 -9.149 1.00 0.00 H new ATOM 1502 N PHE A 97 -10.287 -29.073 -5.255 1.00 0.00 N ATOM 1503 CA PHE A 97 -10.326 -27.860 -4.443 1.00 0.00 C ATOM 1504 C PHE A 97 -9.092 -27.016 -4.750 1.00 0.00 C ATOM 1505 O PHE A 97 -7.984 -27.544 -4.709 1.00 0.00 O ATOM 1506 CB PHE A 97 -10.368 -28.223 -2.948 1.00 0.00 C ATOM 1507 CG PHE A 97 -10.794 -27.108 -2.016 1.00 0.00 C ATOM 1508 CD1 PHE A 97 -12.032 -26.456 -2.193 1.00 0.00 C ATOM 1509 CD2 PHE A 97 -9.965 -26.748 -0.937 1.00 0.00 C ATOM 1510 CE1 PHE A 97 -12.409 -25.414 -1.325 1.00 0.00 C ATOM 1511 CE2 PHE A 97 -10.359 -25.731 -0.051 1.00 0.00 C ATOM 1512 CZ PHE A 97 -11.575 -25.054 -0.253 1.00 0.00 C ATOM 0 H PHE A 97 -10.055 -29.918 -4.732 1.00 0.00 H new ATOM 0 HA PHE A 97 -11.224 -27.289 -4.681 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -11.049 -29.063 -2.815 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -9.378 -28.565 -2.648 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -12.691 -26.756 -2.994 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -9.023 -27.255 -0.790 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -13.340 -24.891 -1.483 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -9.728 -25.469 0.785 1.00 0.00 H new ATOM 0 HZ PHE A 97 -11.868 -24.258 0.415 1.00 0.00 H new ATOM 1522 N LEU A 98 -9.273 -25.714 -5.006 1.00 0.00 N ATOM 1523 CA LEU A 98 -8.194 -24.719 -5.076 1.00 0.00 C ATOM 1524 C LEU A 98 -7.042 -25.090 -6.022 1.00 0.00 C ATOM 1525 O LEU A 98 -5.936 -24.583 -5.861 1.00 0.00 O ATOM 1526 CB LEU A 98 -7.697 -24.410 -3.643 1.00 0.00 C ATOM 1527 CG LEU A 98 -8.752 -23.838 -2.683 1.00 0.00 C ATOM 1528 CD1 LEU A 98 -8.132 -23.629 -1.300 1.00 0.00 C ATOM 1529 CD2 LEU A 98 -9.384 -22.535 -3.169 1.00 0.00 C ATOM 0 H LEU A 98 -10.196 -25.313 -5.174 1.00 0.00 H new ATOM 0 HA LEU A 98 -8.615 -23.819 -5.524 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.298 -25.327 -3.211 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.870 -23.703 -3.709 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.557 -24.571 -2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.883 -23.223 -0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.773 -24.583 -0.914 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.298 -22.931 -1.377 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -10.118 -22.193 -2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.610 -21.777 -3.288 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.876 -22.704 -4.127 1.00 0.00 H new ATOM 1541 N ASP A 99 -7.258 -25.947 -7.020 1.00 0.00 N ATOM 1542 CA ASP A 99 -6.162 -26.465 -7.843 1.00 0.00 C ATOM 1543 C ASP A 99 -5.473 -25.331 -8.599 1.00 0.00 C ATOM 1544 O ASP A 99 -4.246 -25.300 -8.702 1.00 0.00 O ATOM 1545 CB ASP A 99 -6.678 -27.542 -8.804 1.00 0.00 C ATOM 1546 CG ASP A 99 -5.505 -28.267 -9.475 1.00 0.00 C ATOM 1547 OD1 ASP A 99 -4.936 -29.189 -8.851 1.00 0.00 O1- ATOM 1548 OD2 ASP A 99 -5.156 -27.932 -10.631 1.00 0.00 O ATOM 0 H ASP A 99 -8.180 -26.298 -7.279 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.422 -26.925 -7.188 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -7.294 -28.259 -8.260 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.314 -27.087 -9.563 1.00 0.00 H new ATOM 1553 N ALA A 100 -6.242 -24.320 -9.026 1.00 0.00 N ATOM 1554 CA ALA A 100 -5.696 -23.150 -9.691 1.00 0.00 C ATOM 1555 C ALA A 100 -4.949 -22.212 -8.739 1.00 0.00 C ATOM 1556 O ALA A 100 -3.985 -21.574 -9.158 1.00 0.00 O ATOM 1557 CB ALA A 100 -6.818 -22.436 -10.440 1.00 0.00 C ATOM 0 H ALA A 100 -7.256 -24.299 -8.916 1.00 0.00 H new ATOM 0 HA ALA A 100 -4.942 -23.483 -10.404 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.417 -21.556 -10.943 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.249 -23.111 -11.179 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.590 -22.130 -9.734 1.00 0.00 H new ATOM 1563 N LEU A 101 -5.324 -22.174 -7.453 1.00 0.00 N ATOM 1564 CA LEU A 101 -4.545 -21.473 -6.430 1.00 0.00 C ATOM 1565 C LEU A 101 -3.164 -22.141 -6.370 1.00 0.00 C ATOM 1566 O LEU A 101 -2.144 -21.452 -6.420 1.00 0.00 O ATOM 1567 CB LEU A 101 -5.302 -21.548 -5.086 1.00 0.00 C ATOM 1568 CG LEU A 101 -4.818 -20.620 -3.958 1.00 0.00 C ATOM 1569 CD1 LEU A 101 -5.765 -20.714 -2.761 1.00 0.00 C ATOM 1570 CD2 LEU A 101 -3.435 -20.984 -3.432 1.00 0.00 C ATOM 0 H LEU A 101 -6.168 -22.624 -7.098 1.00 0.00 H new ATOM 0 HA LEU A 101 -4.410 -20.416 -6.661 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -6.353 -21.330 -5.277 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.250 -22.575 -4.725 1.00 0.00 H new ATOM 0 HG LEU A 101 -4.789 -19.622 -4.394 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.415 -20.054 -1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -6.768 -20.415 -3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -5.788 -21.741 -2.395 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.153 -20.291 -2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.452 -22.000 -3.037 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -2.709 -20.922 -4.243 1.00 0.00 H new ATOM 1582 N GLY A 102 -3.128 -23.481 -6.361 1.00 0.00 N ATOM 1583 CA GLY A 102 -1.885 -24.239 -6.324 1.00 0.00 C ATOM 1584 C GLY A 102 -1.030 -23.961 -7.555 1.00 0.00 C ATOM 1585 O GLY A 102 0.172 -23.738 -7.426 1.00 0.00 O ATOM 0 H GLY A 102 -3.965 -24.064 -6.379 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -1.326 -23.981 -5.425 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -2.108 -25.304 -6.266 1.00 0.00 H new ATOM 1589 N MET A 103 -1.639 -23.895 -8.742 1.00 0.00 N ATOM 1590 CA MET A 103 -0.910 -23.596 -9.974 1.00 0.00 C ATOM 1591 C MET A 103 -0.266 -22.207 -9.927 1.00 0.00 C ATOM 1592 O MET A 103 0.882 -22.069 -10.347 1.00 0.00 O ATOM 1593 CB MET A 103 -1.821 -23.757 -11.201 1.00 0.00 C ATOM 1594 CG MET A 103 -2.068 -25.225 -11.543 1.00 0.00 C ATOM 1595 SD MET A 103 -2.998 -25.562 -13.064 1.00 0.00 S ATOM 1596 CE MET A 103 -4.660 -25.082 -12.533 1.00 0.00 C ATOM 0 H MET A 103 -2.639 -24.046 -8.874 1.00 0.00 H new ATOM 0 HA MET A 103 -0.099 -24.318 -10.064 1.00 0.00 H new ATOM 0 HB2 MET A 103 -2.774 -23.264 -11.012 1.00 0.00 H new ATOM 0 HB3 MET A 103 -1.368 -23.257 -12.057 1.00 0.00 H new ATOM 0 HG2 MET A 103 -1.102 -25.724 -11.617 1.00 0.00 H new ATOM 0 HG3 MET A 103 -2.601 -25.684 -10.710 1.00 0.00 H new ATOM 0 HE1 MET A 103 -5.382 -25.359 -13.301 1.00 0.00 H new ATOM 0 HE2 MET A 103 -4.906 -25.593 -11.602 1.00 0.00 H new ATOM 0 HE3 MET A 103 -4.694 -24.004 -12.375 1.00 0.00 H new ATOM 1606 N LEU A 104 -0.941 -21.174 -9.404 1.00 0.00 N ATOM 1607 CA LEU A 104 -0.340 -19.837 -9.368 1.00 0.00 C ATOM 1608 C LEU A 104 0.774 -19.762 -8.326 1.00 0.00 C ATOM 1609 O LEU A 104 1.813 -19.162 -8.587 1.00 0.00 O ATOM 1610 CB LEU A 104 -1.411 -18.744 -9.167 1.00 0.00 C ATOM 1611 CG LEU A 104 -1.209 -17.522 -10.083 1.00 0.00 C ATOM 1612 CD1 LEU A 104 0.146 -16.844 -9.887 1.00 0.00 C ATOM 1613 CD2 LEU A 104 -1.332 -17.886 -11.570 1.00 0.00 C ATOM 0 H LEU A 104 -1.880 -21.236 -9.010 1.00 0.00 H new ATOM 0 HA LEU A 104 0.121 -19.647 -10.337 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.396 -19.171 -9.354 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.397 -18.417 -8.127 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.003 -16.833 -9.795 1.00 0.00 H new ATOM 0 HD11 LEU A 104 0.227 -15.991 -10.561 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.236 -16.502 -8.856 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.943 -17.555 -10.104 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.182 -16.993 -12.177 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.577 -18.630 -11.826 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -2.324 -18.294 -11.764 1.00 0.00 H new ATOM 1625 N HIS A 105 0.598 -20.417 -7.177 1.00 0.00 N ATOM 1626 CA HIS A 105 1.659 -20.543 -6.182 1.00 0.00 C ATOM 1627 C HIS A 105 2.895 -21.201 -6.801 1.00 0.00 C ATOM 1628 O HIS A 105 4.002 -20.675 -6.682 1.00 0.00 O ATOM 1629 CB HIS A 105 1.136 -21.364 -4.996 1.00 0.00 C ATOM 1630 CG HIS A 105 2.206 -21.766 -4.010 1.00 0.00 C ATOM 1631 ND1 HIS A 105 2.709 -23.063 -3.871 1.00 0.00 N ATOM 1632 CD2 HIS A 105 2.838 -20.942 -3.122 1.00 0.00 C ATOM 1633 CE1 HIS A 105 3.636 -22.989 -2.901 1.00 0.00 C ATOM 1634 NE2 HIS A 105 3.736 -21.732 -2.437 1.00 0.00 N ATOM 0 H HIS A 105 -0.277 -20.871 -6.913 1.00 0.00 H new ATOM 0 HA HIS A 105 1.952 -19.554 -5.830 1.00 0.00 H new ATOM 0 HB2 HIS A 105 0.374 -20.785 -4.474 1.00 0.00 H new ATOM 0 HB3 HIS A 105 0.649 -22.263 -5.375 1.00 0.00 H new ATOM 0 HD1 HIS A 105 2.431 -23.892 -4.396 1.00 0.00 H new ATOM 0 HD2 HIS A 105 2.668 -19.884 -2.985 1.00 0.00 H new ATOM 0 HE1 HIS A 105 4.220 -23.824 -2.544 1.00 0.00 H new ATOM 1642 N ASP A 106 2.692 -22.294 -7.532 1.00 0.00 N ATOM 1643 CA ASP A 106 3.770 -23.062 -8.148 1.00 0.00 C ATOM 1644 C ASP A 106 4.517 -22.241 -9.197 1.00 0.00 C ATOM 1645 O ASP A 106 5.748 -22.176 -9.169 1.00 0.00 O ATOM 1646 CB ASP A 106 3.235 -24.356 -8.765 1.00 0.00 C ATOM 1647 CG ASP A 106 4.372 -25.105 -9.476 1.00 0.00 C ATOM 1648 OD1 ASP A 106 5.211 -25.727 -8.783 1.00 0.00 O1- ATOM 1649 OD2 ASP A 106 4.421 -25.083 -10.729 1.00 0.00 O ATOM 0 H ASP A 106 1.764 -22.675 -7.715 1.00 0.00 H new ATOM 0 HA ASP A 106 4.477 -23.319 -7.359 1.00 0.00 H new ATOM 0 HB2 ASP A 106 2.801 -24.987 -7.989 1.00 0.00 H new ATOM 0 HB3 ASP A 106 2.438 -24.129 -9.473 1.00 0.00 H new ATOM 1654 N LYS A 107 3.767 -21.541 -10.059 1.00 0.00 N ATOM 1655 CA LYS A 107 4.315 -20.595 -11.032 1.00 0.00 C ATOM 1656 C LYS A 107 5.194 -19.567 -10.315 1.00 0.00 C ATOM 1657 O LYS A 107 6.281 -19.250 -10.790 1.00 0.00 O ATOM 1658 CB LYS A 107 3.169 -19.906 -11.797 1.00 0.00 C ATOM 1659 CG LYS A 107 3.726 -19.006 -12.917 1.00 0.00 C ATOM 1660 CD LYS A 107 2.652 -18.231 -13.698 1.00 0.00 C ATOM 1661 CE LYS A 107 1.647 -19.071 -14.511 1.00 0.00 C ATOM 1662 NZ LYS A 107 2.252 -19.958 -15.555 1.00 0.00 N1+ ATOM 0 H LYS A 107 2.751 -21.619 -10.098 1.00 0.00 H new ATOM 0 HA LYS A 107 4.932 -21.131 -11.754 1.00 0.00 H new ATOM 0 HB2 LYS A 107 2.506 -20.658 -12.224 1.00 0.00 H new ATOM 0 HB3 LYS A 107 2.572 -19.309 -11.107 1.00 0.00 H new ATOM 0 HG2 LYS A 107 4.426 -18.294 -12.480 1.00 0.00 H new ATOM 0 HG3 LYS A 107 4.292 -19.623 -13.615 1.00 0.00 H new ATOM 0 HD2 LYS A 107 2.091 -17.620 -12.991 1.00 0.00 H new ATOM 0 HD3 LYS A 107 3.155 -17.547 -14.381 1.00 0.00 H new ATOM 0 HE2 LYS A 107 1.073 -19.689 -13.821 1.00 0.00 H new ATOM 0 HE3 LYS A 107 0.942 -18.395 -14.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 1.498 -20.480 -16.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 2.776 -19.379 -16.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 2.902 -20.632 -15.103 1.00 0.00 H new ATOM 1676 N LEU A 108 4.725 -19.022 -9.189 1.00 0.00 N ATOM 1677 CA LEU A 108 5.370 -17.880 -8.554 1.00 0.00 C ATOM 1678 C LEU A 108 6.542 -18.226 -7.660 1.00 0.00 C ATOM 1679 O LEU A 108 7.351 -17.335 -7.405 1.00 0.00 O ATOM 1680 CB LEU A 108 4.344 -17.068 -7.758 1.00 0.00 C ATOM 1681 CG LEU A 108 3.439 -16.189 -8.625 1.00 0.00 C ATOM 1682 CD1 LEU A 108 2.572 -15.358 -7.693 1.00 0.00 C ATOM 1683 CD2 LEU A 108 4.203 -15.250 -9.536 1.00 0.00 C ATOM 0 H LEU A 108 3.896 -19.359 -8.700 1.00 0.00 H new ATOM 0 HA LEU A 108 5.782 -17.293 -9.375 1.00 0.00 H new ATOM 0 HB2 LEU A 108 3.723 -17.753 -7.180 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.871 -16.436 -7.044 1.00 0.00 H new ATOM 0 HG LEU A 108 2.855 -16.848 -9.268 1.00 0.00 H new ATOM 0 HD11 LEU A 108 1.914 -14.719 -8.282 1.00 0.00 H new ATOM 0 HD12 LEU A 108 1.972 -16.019 -7.068 1.00 0.00 H new ATOM 0 HD13 LEU A 108 3.208 -14.739 -7.060 1.00 0.00 H new ATOM 0 HD21 LEU A 108 3.499 -14.658 -10.121 1.00 0.00 H new ATOM 0 HD22 LEU A 108 4.825 -14.586 -8.935 1.00 0.00 H new ATOM 0 HD23 LEU A 108 4.836 -15.830 -10.208 1.00 0.00 H new ATOM 1695 N SER A 109 6.671 -19.463 -7.187 1.00 0.00 N ATOM 1696 CA SER A 109 7.726 -19.819 -6.244 1.00 0.00 C ATOM 1697 C SER A 109 9.113 -19.507 -6.839 1.00 0.00 C ATOM 1698 O SER A 109 10.003 -19.014 -6.141 1.00 0.00 O ATOM 1699 CB SER A 109 7.571 -21.309 -5.898 1.00 0.00 C ATOM 1700 OG SER A 109 8.279 -21.643 -4.715 1.00 0.00 O ATOM 0 H SER A 109 6.057 -20.236 -7.442 1.00 0.00 H new ATOM 0 HA SER A 109 7.640 -19.228 -5.332 1.00 0.00 H new ATOM 0 HB2 SER A 109 6.515 -21.546 -5.771 1.00 0.00 H new ATOM 0 HB3 SER A 109 7.937 -21.916 -6.726 1.00 0.00 H new ATOM 0 HG SER A 109 8.160 -22.596 -4.520 1.00 0.00 H new ATOM 1706 N THR A 110 9.277 -19.703 -8.150 1.00 0.00 N ATOM 1707 CA THR A 110 10.523 -19.477 -8.877 1.00 0.00 C ATOM 1708 C THR A 110 10.664 -18.020 -9.359 1.00 0.00 C ATOM 1709 O THR A 110 11.741 -17.620 -9.807 1.00 0.00 O ATOM 1710 CB THR A 110 10.596 -20.514 -10.015 1.00 0.00 C ATOM 1711 OG1 THR A 110 9.373 -20.525 -10.736 1.00 0.00 O ATOM 1712 CG2 THR A 110 10.819 -21.926 -9.451 1.00 0.00 C ATOM 0 H THR A 110 8.522 -20.033 -8.750 1.00 0.00 H new ATOM 0 HA THR A 110 11.378 -19.618 -8.215 1.00 0.00 H new ATOM 0 HB THR A 110 11.426 -20.238 -10.665 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.768 -21.188 -10.343 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.867 -22.642 -10.271 1.00 0.00 H new ATOM 0 HG22 THR A 110 11.754 -21.951 -8.892 1.00 0.00 H new ATOM 0 HG23 THR A 110 9.994 -22.188 -8.789 1.00 0.00 H new ATOM 1720 N LYS A 111 9.609 -17.196 -9.227 1.00 0.00 N ATOM 1721 CA LYS A 111 9.629 -15.766 -9.531 1.00 0.00 C ATOM 1722 C LYS A 111 10.135 -14.944 -8.340 1.00 0.00 C ATOM 1723 O LYS A 111 10.321 -13.739 -8.481 1.00 0.00 O ATOM 1724 CB LYS A 111 8.238 -15.288 -10.001 1.00 0.00 C ATOM 1725 CG LYS A 111 7.699 -15.974 -11.272 1.00 0.00 C ATOM 1726 CD LYS A 111 8.561 -15.826 -12.535 1.00 0.00 C ATOM 1727 CE LYS A 111 8.667 -14.359 -12.979 1.00 0.00 C ATOM 1728 NZ LYS A 111 9.431 -14.210 -14.247 1.00 0.00 N1+ ATOM 0 H LYS A 111 8.700 -17.520 -8.897 1.00 0.00 H new ATOM 0 HA LYS A 111 10.332 -15.607 -10.349 1.00 0.00 H new ATOM 0 HB2 LYS A 111 7.525 -15.448 -9.192 1.00 0.00 H new ATOM 0 HB3 LYS A 111 8.283 -14.214 -10.179 1.00 0.00 H new ATOM 0 HG2 LYS A 111 7.576 -17.037 -11.063 1.00 0.00 H new ATOM 0 HG3 LYS A 111 6.708 -15.574 -11.484 1.00 0.00 H new ATOM 0 HD2 LYS A 111 9.558 -16.222 -12.344 1.00 0.00 H new ATOM 0 HD3 LYS A 111 8.131 -16.421 -13.341 1.00 0.00 H new ATOM 0 HE2 LYS A 111 7.666 -13.947 -13.109 1.00 0.00 H new ATOM 0 HE3 LYS A 111 9.151 -13.778 -12.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 9.448 -13.208 -14.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 10.405 -14.547 -14.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 8.975 -14.770 -14.995 1.00 0.00 H new ATOM 1742 N GLY A 112 10.344 -15.567 -7.177 1.00 0.00 N ATOM 1743 CA GLY A 112 10.999 -14.928 -6.043 1.00 0.00 C ATOM 1744 C GLY A 112 10.112 -13.892 -5.365 1.00 0.00 C ATOM 1745 O GLY A 112 10.622 -12.881 -4.883 1.00 0.00 O ATOM 0 H GLY A 112 10.061 -16.531 -7.000 1.00 0.00 H new ATOM 0 HA2 GLY A 112 11.284 -15.689 -5.316 1.00 0.00 H new ATOM 0 HA3 GLY A 112 11.918 -14.449 -6.381 1.00 0.00 H new ATOM 1749 N VAL A 113 8.790 -14.092 -5.361 1.00 0.00 N ATOM 1750 CA VAL A 113 7.862 -13.256 -4.617 1.00 0.00 C ATOM 1751 C VAL A 113 7.953 -13.583 -3.115 1.00 0.00 C ATOM 1752 O VAL A 113 8.655 -14.514 -2.709 1.00 0.00 O ATOM 1753 CB VAL A 113 6.445 -13.422 -5.199 1.00 0.00 C ATOM 1754 CG1 VAL A 113 6.424 -13.132 -6.707 1.00 0.00 C ATOM 1755 CG2 VAL A 113 5.840 -14.801 -4.905 1.00 0.00 C ATOM 0 H VAL A 113 8.338 -14.845 -5.879 1.00 0.00 H new ATOM 0 HA VAL A 113 8.123 -12.203 -4.718 1.00 0.00 H new ATOM 0 HB VAL A 113 5.819 -12.686 -4.695 1.00 0.00 H new ATOM 0 HG11 VAL A 113 5.410 -13.258 -7.088 1.00 0.00 H new ATOM 0 HG12 VAL A 113 6.754 -12.109 -6.885 1.00 0.00 H new ATOM 0 HG13 VAL A 113 7.092 -13.824 -7.220 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.842 -14.860 -5.339 1.00 0.00 H new ATOM 0 HG22 VAL A 113 6.471 -15.576 -5.340 1.00 0.00 H new ATOM 0 HG23 VAL A 113 5.776 -14.948 -3.827 1.00 0.00 H new ATOM 1765 N LYS A 114 7.193 -12.855 -2.293 1.00 0.00 N ATOM 1766 CA LYS A 114 7.005 -13.156 -0.870 1.00 0.00 C ATOM 1767 C LYS A 114 5.533 -13.466 -0.691 1.00 0.00 C ATOM 1768 O LYS A 114 4.722 -12.633 -1.080 1.00 0.00 O ATOM 1769 CB LYS A 114 7.468 -11.945 -0.034 1.00 0.00 C ATOM 1770 CG LYS A 114 7.653 -12.297 1.455 1.00 0.00 C ATOM 1771 CD LYS A 114 6.444 -11.938 2.338 1.00 0.00 C ATOM 1772 CE LYS A 114 6.474 -12.648 3.704 1.00 0.00 C ATOM 1773 NZ LYS A 114 7.690 -12.331 4.514 1.00 0.00 N1+ ATOM 0 H LYS A 114 6.683 -12.027 -2.601 1.00 0.00 H new ATOM 0 HA LYS A 114 7.595 -14.009 -0.533 1.00 0.00 H new ATOM 0 HB2 LYS A 114 8.409 -11.568 -0.435 1.00 0.00 H new ATOM 0 HB3 LYS A 114 6.737 -11.142 -0.127 1.00 0.00 H new ATOM 0 HG2 LYS A 114 7.850 -13.365 1.543 1.00 0.00 H new ATOM 0 HG3 LYS A 114 8.533 -11.778 1.834 1.00 0.00 H new ATOM 0 HD2 LYS A 114 6.421 -10.859 2.494 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.525 -12.204 1.815 1.00 0.00 H new ATOM 0 HE2 LYS A 114 5.586 -12.367 4.270 1.00 0.00 H new ATOM 0 HE3 LYS A 114 6.423 -13.725 3.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.495 -12.513 5.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 8.481 -12.929 4.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 7.941 -11.330 4.386 1.00 0.00 H new ATOM 1787 N PHE A 115 5.162 -14.609 -0.123 1.00 0.00 N ATOM 1788 CA PHE A 115 3.749 -14.961 0.017 1.00 0.00 C ATOM 1789 C PHE A 115 3.215 -14.473 1.361 1.00 0.00 C ATOM 1790 O PHE A 115 3.934 -14.492 2.360 1.00 0.00 O ATOM 1791 CB PHE A 115 3.534 -16.469 -0.166 1.00 0.00 C ATOM 1792 CG PHE A 115 3.905 -16.993 -1.543 1.00 0.00 C ATOM 1793 CD1 PHE A 115 3.162 -16.593 -2.671 1.00 0.00 C ATOM 1794 CD2 PHE A 115 4.980 -17.890 -1.704 1.00 0.00 C ATOM 1795 CE1 PHE A 115 3.479 -17.100 -3.945 1.00 0.00 C ATOM 1796 CE2 PHE A 115 5.299 -18.392 -2.977 1.00 0.00 C ATOM 1797 CZ PHE A 115 4.547 -18.004 -4.097 1.00 0.00 C ATOM 0 H PHE A 115 5.812 -15.303 0.246 1.00 0.00 H new ATOM 0 HA PHE A 115 3.186 -14.461 -0.771 1.00 0.00 H new ATOM 0 HB2 PHE A 115 4.122 -17.001 0.582 1.00 0.00 H new ATOM 0 HB3 PHE A 115 2.487 -16.701 0.027 1.00 0.00 H new ATOM 0 HD1 PHE A 115 2.346 -15.895 -2.558 1.00 0.00 H new ATOM 0 HD2 PHE A 115 5.561 -18.193 -0.845 1.00 0.00 H new ATOM 0 HE1 PHE A 115 2.903 -16.795 -4.806 1.00 0.00 H new ATOM 0 HE2 PHE A 115 6.125 -19.078 -3.094 1.00 0.00 H new ATOM 0 HZ PHE A 115 4.787 -18.398 -5.073 1.00 0.00 H new ATOM 1807 N VAL A 116 1.946 -14.073 1.387 1.00 0.00 N ATOM 1808 CA VAL A 116 1.176 -13.788 2.590 1.00 0.00 C ATOM 1809 C VAL A 116 -0.181 -14.481 2.443 1.00 0.00 C ATOM 1810 O VAL A 116 -0.630 -14.749 1.324 1.00 0.00 O ATOM 1811 CB VAL A 116 1.062 -12.264 2.846 1.00 0.00 C ATOM 1812 CG1 VAL A 116 2.448 -11.626 3.031 1.00 0.00 C ATOM 1813 CG2 VAL A 116 0.331 -11.481 1.748 1.00 0.00 C ATOM 0 H VAL A 116 1.406 -13.933 0.533 1.00 0.00 H new ATOM 0 HA VAL A 116 1.680 -14.179 3.474 1.00 0.00 H new ATOM 0 HB VAL A 116 0.465 -12.195 3.756 1.00 0.00 H new ATOM 0 HG11 VAL A 116 2.335 -10.557 3.209 1.00 0.00 H new ATOM 0 HG12 VAL A 116 2.949 -12.085 3.883 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.044 -11.784 2.132 1.00 0.00 H new ATOM 0 HG21 VAL A 116 0.300 -10.424 2.014 1.00 0.00 H new ATOM 0 HG22 VAL A 116 0.859 -11.602 0.802 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -0.686 -11.859 1.647 1.00 0.00 H new ATOM 1823 N GLY A 117 -0.861 -14.731 3.558 1.00 0.00 N ATOM 1824 CA GLY A 117 -2.242 -15.180 3.544 1.00 0.00 C ATOM 1825 C GLY A 117 -2.410 -16.676 3.394 1.00 0.00 C ATOM 1826 O GLY A 117 -3.364 -17.105 2.750 1.00 0.00 O ATOM 0 H GLY A 117 -0.468 -14.627 4.493 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -2.724 -14.863 4.469 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -2.765 -14.684 2.726 1.00 0.00 H new ATOM 1830 N TYR A 118 -1.519 -17.482 3.966 1.00 0.00 N ATOM 1831 CA TYR A 118 -1.749 -18.920 4.047 1.00 0.00 C ATOM 1832 C TYR A 118 -2.925 -19.198 5.008 1.00 0.00 C ATOM 1833 O TYR A 118 -3.233 -18.376 5.875 1.00 0.00 O ATOM 1834 CB TYR A 118 -0.442 -19.627 4.445 1.00 0.00 C ATOM 1835 CG TYR A 118 0.642 -19.755 3.375 1.00 0.00 C ATOM 1836 CD1 TYR A 118 0.587 -19.073 2.138 1.00 0.00 C ATOM 1837 CD2 TYR A 118 1.736 -20.607 3.632 1.00 0.00 C ATOM 1838 CE1 TYR A 118 1.589 -19.269 1.170 1.00 0.00 C ATOM 1839 CE2 TYR A 118 2.753 -20.786 2.678 1.00 0.00 C ATOM 1840 CZ TYR A 118 2.683 -20.120 1.436 1.00 0.00 C ATOM 1841 OH TYR A 118 3.667 -20.300 0.509 1.00 0.00 O ATOM 0 H TYR A 118 -0.640 -17.167 4.376 1.00 0.00 H new ATOM 0 HA TYR A 118 -2.037 -19.327 3.078 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -0.016 -19.093 5.294 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -0.693 -20.629 4.792 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -0.230 -18.397 1.935 1.00 0.00 H new ATOM 0 HD2 TYR A 118 1.793 -21.130 4.575 1.00 0.00 H new ATOM 0 HE1 TYR A 118 1.521 -18.765 0.217 1.00 0.00 H new ATOM 0 HE2 TYR A 118 3.589 -21.434 2.896 1.00 0.00 H new ATOM 0 HH TYR A 118 3.301 -20.769 -0.270 1.00 0.00 H new ATOM 1851 N TRP A 119 -3.604 -20.342 4.834 1.00 0.00 N ATOM 1852 CA TRP A 119 -4.853 -20.684 5.527 1.00 0.00 C ATOM 1853 C TRP A 119 -4.766 -22.152 5.987 1.00 0.00 C ATOM 1854 O TRP A 119 -4.256 -22.961 5.206 1.00 0.00 O ATOM 1855 CB TRP A 119 -6.023 -20.433 4.561 1.00 0.00 C ATOM 1856 CG TRP A 119 -7.356 -20.072 5.149 1.00 0.00 C ATOM 1857 CD1 TRP A 119 -7.864 -18.821 5.167 1.00 0.00 C ATOM 1858 CD2 TRP A 119 -8.366 -20.902 5.805 1.00 0.00 C ATOM 1859 NE1 TRP A 119 -9.098 -18.822 5.784 1.00 0.00 N ATOM 1860 CE2 TRP A 119 -9.416 -20.063 6.275 1.00 0.00 C ATOM 1861 CE3 TRP A 119 -8.497 -22.274 6.083 1.00 0.00 C ATOM 1862 CZ2 TRP A 119 -10.483 -20.544 7.048 1.00 0.00 C ATOM 1863 CZ3 TRP A 119 -9.566 -22.780 6.850 1.00 0.00 C ATOM 1864 CH2 TRP A 119 -10.553 -21.914 7.349 1.00 0.00 C ATOM 0 H TRP A 119 -3.292 -21.071 4.193 1.00 0.00 H new ATOM 0 HA TRP A 119 -5.014 -20.069 6.412 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -5.730 -19.633 3.882 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -6.156 -21.331 3.957 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -7.376 -17.948 4.759 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -9.699 -18.002 5.865 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -7.757 -22.960 5.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -11.244 -19.867 7.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -9.626 -23.839 7.055 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -11.358 -22.298 7.958 1.00 0.00 H new ATOM 1875 N PRO A 120 -5.201 -22.527 7.206 1.00 0.00 N ATOM 1876 CA PRO A 120 -4.957 -23.856 7.770 1.00 0.00 C ATOM 1877 C PRO A 120 -5.756 -24.955 7.076 1.00 0.00 C ATOM 1878 O PRO A 120 -6.976 -24.862 6.968 1.00 0.00 O ATOM 1879 CB PRO A 120 -5.300 -23.770 9.264 1.00 0.00 C ATOM 1880 CG PRO A 120 -5.248 -22.274 9.561 1.00 0.00 C ATOM 1881 CD PRO A 120 -5.749 -21.676 8.251 1.00 0.00 C ATOM 0 HA PRO A 120 -3.914 -24.134 7.618 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -6.286 -24.186 9.473 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -4.585 -24.324 9.872 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -5.884 -22.002 10.404 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -4.239 -21.940 9.803 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -6.838 -21.662 8.216 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -5.413 -20.645 8.135 1.00 0.00 H new ATOM 1889 N THR A 121 -5.095 -26.043 6.694 1.00 0.00 N ATOM 1890 CA THR A 121 -5.802 -27.218 6.158 1.00 0.00 C ATOM 1891 C THR A 121 -6.616 -27.982 7.221 1.00 0.00 C ATOM 1892 O THR A 121 -7.334 -28.926 6.885 1.00 0.00 O ATOM 1893 CB THR A 121 -4.828 -28.151 5.428 1.00 0.00 C ATOM 1894 OG1 THR A 121 -3.732 -28.504 6.240 1.00 0.00 O ATOM 1895 CG2 THR A 121 -4.268 -27.505 4.164 1.00 0.00 C ATOM 0 H THR A 121 -4.081 -26.143 6.742 1.00 0.00 H new ATOM 0 HA THR A 121 -6.530 -26.839 5.441 1.00 0.00 H new ATOM 0 HB THR A 121 -5.407 -29.039 5.173 1.00 0.00 H new ATOM 0 HG1 THR A 121 -3.711 -29.477 6.357 1.00 0.00 H new ATOM 0 HG21 THR A 121 -3.582 -28.197 3.675 1.00 0.00 H new ATOM 0 HG22 THR A 121 -5.086 -27.265 3.485 1.00 0.00 H new ATOM 0 HG23 THR A 121 -3.735 -26.592 4.428 1.00 0.00 H new ATOM 1903 N GLU A 122 -6.484 -27.620 8.504 1.00 0.00 N ATOM 1904 CA GLU A 122 -7.120 -28.291 9.622 1.00 0.00 C ATOM 1905 C GLU A 122 -8.646 -28.270 9.452 1.00 0.00 C ATOM 1906 O GLU A 122 -9.238 -27.266 9.042 1.00 0.00 O ATOM 1907 CB GLU A 122 -6.711 -27.636 10.952 1.00 0.00 C ATOM 1908 CG GLU A 122 -5.205 -27.746 11.236 1.00 0.00 C ATOM 1909 CD GLU A 122 -4.856 -27.193 12.630 1.00 0.00 C ATOM 1910 OE1 GLU A 122 -4.562 -25.978 12.751 1.00 0.00 O ATOM 1911 OE2 GLU A 122 -4.868 -27.972 13.616 1.00 0.00 O1- ATOM 0 H GLU A 122 -5.912 -26.826 8.791 1.00 0.00 H new ATOM 0 HA GLU A 122 -6.787 -29.329 9.641 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -6.996 -26.584 10.936 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -7.264 -28.104 11.766 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -4.895 -28.789 11.168 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -4.648 -27.198 10.475 1.00 0.00 H new ATOM 1918 N GLY A 123 -9.273 -29.393 9.802 1.00 0.00 N ATOM 1919 CA GLY A 123 -10.724 -29.562 9.776 1.00 0.00 C ATOM 1920 C GLY A 123 -11.284 -29.867 8.381 1.00 0.00 C ATOM 1921 O GLY A 123 -12.502 -29.792 8.195 1.00 0.00 O ATOM 0 H GLY A 123 -8.776 -30.226 10.117 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -10.999 -30.371 10.453 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -11.194 -28.655 10.156 1.00 0.00 H new ATOM 1925 N TYR A 124 -10.437 -30.222 7.408 1.00 0.00 N ATOM 1926 CA TYR A 124 -10.836 -30.654 6.070 1.00 0.00 C ATOM 1927 C TYR A 124 -10.002 -31.875 5.652 1.00 0.00 C ATOM 1928 O TYR A 124 -8.949 -32.145 6.239 1.00 0.00 O ATOM 1929 CB TYR A 124 -10.706 -29.477 5.084 1.00 0.00 C ATOM 1930 CG TYR A 124 -11.217 -29.753 3.679 1.00 0.00 C ATOM 1931 CD1 TYR A 124 -12.512 -30.276 3.484 1.00 0.00 C ATOM 1932 CD2 TYR A 124 -10.394 -29.503 2.562 1.00 0.00 C ATOM 1933 CE1 TYR A 124 -12.961 -30.589 2.190 1.00 0.00 C ATOM 1934 CE2 TYR A 124 -10.852 -29.783 1.262 1.00 0.00 C ATOM 1935 CZ TYR A 124 -12.134 -30.342 1.072 1.00 0.00 C ATOM 1936 OH TYR A 124 -12.569 -30.629 -0.187 1.00 0.00 O ATOM 0 H TYR A 124 -9.425 -30.215 7.537 1.00 0.00 H new ATOM 0 HA TYR A 124 -11.882 -30.962 6.066 1.00 0.00 H new ATOM 0 HB2 TYR A 124 -11.247 -28.622 5.489 1.00 0.00 H new ATOM 0 HB3 TYR A 124 -9.656 -29.189 5.022 1.00 0.00 H new ATOM 0 HD1 TYR A 124 -13.161 -30.437 4.332 1.00 0.00 H new ATOM 0 HD2 TYR A 124 -9.405 -29.094 2.706 1.00 0.00 H new ATOM 0 HE1 TYR A 124 -13.941 -31.020 2.050 1.00 0.00 H new ATOM 0 HE2 TYR A 124 -10.223 -29.570 0.410 1.00 0.00 H new ATOM 0 HH TYR A 124 -13.535 -30.791 -0.170 1.00 0.00 H new ATOM 1946 N GLU A 125 -10.481 -32.622 4.654 1.00 0.00 N ATOM 1947 CA GLU A 125 -9.848 -33.827 4.124 1.00 0.00 C ATOM 1948 C GLU A 125 -9.836 -33.722 2.596 1.00 0.00 C ATOM 1949 O GLU A 125 -10.823 -33.304 1.988 1.00 0.00 O ATOM 1950 CB GLU A 125 -10.586 -35.094 4.589 1.00 0.00 C ATOM 1951 CG GLU A 125 -10.470 -35.335 6.100 1.00 0.00 C ATOM 1952 CD GLU A 125 -11.144 -36.657 6.505 1.00 0.00 C ATOM 1953 OE1 GLU A 125 -10.477 -37.721 6.469 1.00 0.00 O ATOM 1954 OE2 GLU A 125 -12.346 -36.647 6.873 1.00 0.00 O ATOM 0 H GLU A 125 -11.353 -32.393 4.177 1.00 0.00 H new ATOM 0 HA GLU A 125 -8.827 -33.906 4.499 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -11.639 -35.014 4.319 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -10.185 -35.957 4.057 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -9.419 -35.356 6.388 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -10.932 -34.508 6.639 1.00 0.00 H new ATOM 1961 N PHE A 126 -8.708 -34.080 1.981 1.00 0.00 N ATOM 1962 CA PHE A 126 -8.408 -33.851 0.571 1.00 0.00 C ATOM 1963 C PHE A 126 -7.404 -34.900 0.087 1.00 0.00 C ATOM 1964 O PHE A 126 -6.850 -35.650 0.897 1.00 0.00 O ATOM 1965 CB PHE A 126 -7.857 -32.416 0.400 1.00 0.00 C ATOM 1966 CG PHE A 126 -6.838 -32.005 1.451 1.00 0.00 C ATOM 1967 CD1 PHE A 126 -5.466 -32.285 1.285 1.00 0.00 C ATOM 1968 CD2 PHE A 126 -7.284 -31.410 2.646 1.00 0.00 C ATOM 1969 CE1 PHE A 126 -4.562 -31.993 2.321 1.00 0.00 C ATOM 1970 CE2 PHE A 126 -6.381 -31.119 3.679 1.00 0.00 C ATOM 1971 CZ PHE A 126 -5.016 -31.408 3.517 1.00 0.00 C ATOM 0 H PHE A 126 -7.951 -34.555 2.472 1.00 0.00 H new ATOM 0 HA PHE A 126 -9.311 -33.947 -0.032 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -7.399 -32.331 -0.585 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -8.691 -31.714 0.426 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -5.111 -32.723 0.364 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -8.331 -31.175 2.769 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -3.513 -32.219 2.198 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -6.735 -30.674 4.597 1.00 0.00 H new ATOM 0 HZ PHE A 126 -4.317 -31.182 4.309 1.00 0.00 H new ATOM 1981 N THR A 127 -7.166 -34.959 -1.229 1.00 0.00 N ATOM 1982 CA THR A 127 -6.295 -35.969 -1.828 1.00 0.00 C ATOM 1983 C THR A 127 -5.348 -35.366 -2.871 1.00 0.00 C ATOM 1984 O THR A 127 -4.188 -35.783 -2.949 1.00 0.00 O ATOM 1985 CB THR A 127 -7.173 -37.130 -2.346 1.00 0.00 C ATOM 1986 OG1 THR A 127 -6.412 -38.275 -2.702 1.00 0.00 O ATOM 1987 CG2 THR A 127 -8.073 -36.759 -3.533 1.00 0.00 C ATOM 0 H THR A 127 -7.571 -34.310 -1.903 1.00 0.00 H new ATOM 0 HA THR A 127 -5.620 -36.381 -1.078 1.00 0.00 H new ATOM 0 HB THR A 127 -7.813 -37.361 -1.495 1.00 0.00 H new ATOM 0 HG1 THR A 127 -7.012 -38.981 -3.021 1.00 0.00 H new ATOM 0 HG21 THR A 127 -8.655 -37.630 -3.834 1.00 0.00 H new ATOM 0 HG22 THR A 127 -8.748 -35.955 -3.240 1.00 0.00 H new ATOM 0 HG23 THR A 127 -7.456 -36.429 -4.368 1.00 0.00 H new ATOM 1995 N SER A 128 -5.783 -34.351 -3.621 1.00 0.00 N ATOM 1996 CA SER A 128 -4.925 -33.690 -4.598 1.00 0.00 C ATOM 1997 C SER A 128 -3.910 -32.803 -3.852 1.00 0.00 C ATOM 1998 O SER A 128 -4.325 -32.005 -3.008 1.00 0.00 O ATOM 1999 CB SER A 128 -5.799 -32.921 -5.597 1.00 0.00 C ATOM 2000 OG SER A 128 -6.514 -33.861 -6.380 1.00 0.00 O ATOM 0 H SER A 128 -6.728 -33.970 -3.568 1.00 0.00 H new ATOM 0 HA SER A 128 -4.349 -34.410 -5.179 1.00 0.00 H new ATOM 0 HB2 SER A 128 -6.490 -32.263 -5.069 1.00 0.00 H new ATOM 0 HB3 SER A 128 -5.181 -32.289 -6.234 1.00 0.00 H new ATOM 0 HG SER A 128 -7.269 -33.415 -6.818 1.00 0.00 H new ATOM 2006 N PRO A 129 -2.594 -32.912 -4.132 1.00 0.00 N ATOM 2007 CA PRO A 129 -1.564 -32.221 -3.355 1.00 0.00 C ATOM 2008 C PRO A 129 -1.343 -30.765 -3.797 1.00 0.00 C ATOM 2009 O PRO A 129 -0.866 -29.959 -3.003 1.00 0.00 O ATOM 2010 CB PRO A 129 -0.301 -33.069 -3.533 1.00 0.00 C ATOM 2011 CG PRO A 129 -0.472 -33.668 -4.927 1.00 0.00 C ATOM 2012 CD PRO A 129 -1.980 -33.901 -5.012 1.00 0.00 C ATOM 0 HA PRO A 129 -1.860 -32.133 -2.310 1.00 0.00 H new ATOM 0 HB2 PRO A 129 0.603 -32.464 -3.464 1.00 0.00 H new ATOM 0 HB3 PRO A 129 -0.226 -33.843 -2.769 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -0.123 -32.989 -5.705 1.00 0.00 H new ATOM 0 HG3 PRO A 129 0.088 -34.596 -5.040 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -2.335 -33.785 -6.036 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -2.236 -34.913 -4.699 1.00 0.00 H new ATOM 2020 N LYS A 130 -1.697 -30.395 -5.038 1.00 0.00 N ATOM 2021 CA LYS A 130 -1.358 -29.089 -5.619 1.00 0.00 C ATOM 2022 C LYS A 130 -1.766 -27.875 -4.762 1.00 0.00 C ATOM 2023 O LYS A 130 -0.953 -26.955 -4.670 1.00 0.00 O ATOM 2024 CB LYS A 130 -1.926 -28.997 -7.047 1.00 0.00 C ATOM 2025 CG LYS A 130 -1.096 -28.056 -7.940 1.00 0.00 C ATOM 2026 CD LYS A 130 -1.713 -27.839 -9.331 1.00 0.00 C ATOM 2027 CE LYS A 130 -1.891 -29.146 -10.130 1.00 0.00 C ATOM 2028 NZ LYS A 130 -2.678 -28.953 -11.380 1.00 0.00 N1+ ATOM 0 H LYS A 130 -2.228 -30.996 -5.668 1.00 0.00 H new ATOM 0 HA LYS A 130 -0.270 -29.037 -5.649 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -1.950 -29.992 -7.492 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -2.956 -28.642 -7.005 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -0.991 -27.092 -7.442 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -0.093 -28.466 -8.055 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -2.683 -27.355 -9.219 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -1.080 -27.157 -9.899 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -0.910 -29.550 -10.382 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -2.389 -29.886 -9.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -2.681 -29.837 -11.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -3.655 -28.692 -11.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -2.248 -28.195 -11.948 1.00 0.00 H new ATOM 2042 N PRO A 131 -2.961 -27.808 -4.134 1.00 0.00 N ATOM 2043 CA PRO A 131 -3.336 -26.636 -3.345 1.00 0.00 C ATOM 2044 C PRO A 131 -2.625 -26.540 -1.988 1.00 0.00 C ATOM 2045 O PRO A 131 -2.871 -25.569 -1.279 1.00 0.00 O ATOM 2046 CB PRO A 131 -4.854 -26.743 -3.165 1.00 0.00 C ATOM 2047 CG PRO A 131 -5.090 -28.248 -3.141 1.00 0.00 C ATOM 2048 CD PRO A 131 -4.103 -28.718 -4.209 1.00 0.00 C ATOM 0 HA PRO A 131 -3.032 -25.727 -3.864 1.00 0.00 H new ATOM 0 HB2 PRO A 131 -5.186 -26.268 -2.242 1.00 0.00 H new ATOM 0 HB3 PRO A 131 -5.392 -26.263 -3.982 1.00 0.00 H new ATOM 0 HG2 PRO A 131 -4.878 -28.683 -2.164 1.00 0.00 H new ATOM 0 HG3 PRO A 131 -6.119 -28.508 -3.389 1.00 0.00 H new ATOM 0 HD2 PRO A 131 -3.794 -29.747 -4.028 1.00 0.00 H new ATOM 0 HD3 PRO A 131 -4.558 -28.691 -5.199 1.00 0.00 H new ATOM 2056 N VAL A 132 -1.814 -27.517 -1.565 1.00 0.00 N ATOM 2057 CA VAL A 132 -1.291 -27.583 -0.201 1.00 0.00 C ATOM 2058 C VAL A 132 0.224 -27.834 -0.186 1.00 0.00 C ATOM 2059 O VAL A 132 0.831 -28.165 -1.206 1.00 0.00 O ATOM 2060 CB VAL A 132 -2.092 -28.618 0.627 1.00 0.00 C ATOM 2061 CG1 VAL A 132 -3.543 -28.165 0.862 1.00 0.00 C ATOM 2062 CG2 VAL A 132 -2.115 -30.019 -0.003 1.00 0.00 C ATOM 0 H VAL A 132 -1.503 -28.284 -2.162 1.00 0.00 H new ATOM 0 HA VAL A 132 -1.429 -26.613 0.278 1.00 0.00 H new ATOM 0 HB VAL A 132 -1.562 -28.679 1.578 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -4.070 -28.919 1.447 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -3.546 -27.219 1.404 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -4.043 -28.035 -0.098 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -2.693 -30.693 0.629 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -2.573 -29.966 -0.991 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -1.095 -30.393 -0.095 1.00 0.00 H new ATOM 2072 N ILE A 133 0.834 -27.662 0.989 1.00 0.00 N ATOM 2073 CA ILE A 133 2.233 -27.929 1.290 1.00 0.00 C ATOM 2074 C ILE A 133 2.319 -28.821 2.519 1.00 0.00 C ATOM 2075 O ILE A 133 1.321 -28.986 3.226 1.00 0.00 O ATOM 2076 CB ILE A 133 2.996 -26.601 1.524 1.00 0.00 C ATOM 2077 CG1 ILE A 133 2.330 -25.724 2.619 1.00 0.00 C ATOM 2078 CG2 ILE A 133 3.228 -25.917 0.168 1.00 0.00 C ATOM 2079 CD1 ILE A 133 3.074 -24.413 2.905 1.00 0.00 C ATOM 0 H ILE A 133 0.329 -27.311 1.802 1.00 0.00 H new ATOM 0 HA ILE A 133 2.696 -28.439 0.445 1.00 0.00 H new ATOM 0 HB ILE A 133 3.982 -26.797 1.945 1.00 0.00 H new ATOM 0 HG12 ILE A 133 1.310 -25.492 2.314 1.00 0.00 H new ATOM 0 HG13 ILE A 133 2.263 -26.301 3.541 1.00 0.00 H new ATOM 0 HG21 ILE A 133 3.765 -24.980 0.320 1.00 0.00 H new ATOM 0 HG22 ILE A 133 3.816 -26.572 -0.474 1.00 0.00 H new ATOM 0 HG23 ILE A 133 2.268 -25.712 -0.305 1.00 0.00 H new ATOM 0 HD11 ILE A 133 2.547 -23.857 3.680 1.00 0.00 H new ATOM 0 HD12 ILE A 133 4.086 -24.635 3.242 1.00 0.00 H new ATOM 0 HD13 ILE A 133 3.118 -23.814 1.996 1.00 0.00 H new ATOM 2091 N ALA A 134 3.525 -29.324 2.802 1.00 0.00 N ATOM 2092 CA ALA A 134 3.895 -29.985 4.052 1.00 0.00 C ATOM 2093 C ALA A 134 3.031 -31.207 4.384 1.00 0.00 C ATOM 2094 O ALA A 134 2.756 -31.519 5.544 1.00 0.00 O ATOM 2095 CB ALA A 134 3.925 -28.914 5.132 1.00 0.00 C ATOM 0 H ALA A 134 4.299 -29.279 2.139 1.00 0.00 H new ATOM 0 HA ALA A 134 4.886 -30.431 3.963 1.00 0.00 H new ATOM 0 HB1 ALA A 134 4.198 -29.366 6.085 1.00 0.00 H new ATOM 0 HB2 ALA A 134 4.659 -28.152 4.869 1.00 0.00 H new ATOM 0 HB3 ALA A 134 2.940 -28.455 5.217 1.00 0.00 H new ATOM 2101 N ASP A 135 2.608 -31.885 3.320 1.00 0.00 N ATOM 2102 CA ASP A 135 1.687 -33.027 3.327 1.00 0.00 C ATOM 2103 C ASP A 135 0.361 -32.669 4.016 1.00 0.00 C ATOM 2104 O ASP A 135 -0.223 -33.453 4.767 1.00 0.00 O ATOM 2105 CB ASP A 135 2.372 -34.296 3.859 1.00 0.00 C ATOM 2106 CG ASP A 135 1.499 -35.554 3.678 1.00 0.00 C ATOM 2107 OD1 ASP A 135 0.925 -35.754 2.580 1.00 0.00 O1- ATOM 2108 OD2 ASP A 135 1.438 -36.389 4.614 1.00 0.00 O ATOM 0 H ASP A 135 2.913 -31.642 2.377 1.00 0.00 H new ATOM 0 HA ASP A 135 1.413 -33.269 2.300 1.00 0.00 H new ATOM 0 HB2 ASP A 135 3.321 -34.438 3.342 1.00 0.00 H new ATOM 0 HB3 ASP A 135 2.602 -34.166 4.916 1.00 0.00 H new ATOM 2113 N GLY A 136 -0.115 -31.448 3.747 1.00 0.00 N ATOM 2114 CA GLY A 136 -1.374 -30.926 4.253 1.00 0.00 C ATOM 2115 C GLY A 136 -1.176 -30.187 5.570 1.00 0.00 C ATOM 2116 O GLY A 136 -1.519 -30.719 6.627 1.00 0.00 O ATOM 0 H GLY A 136 0.384 -30.784 3.155 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -1.813 -30.252 3.517 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -2.079 -31.745 4.395 1.00 0.00 H new ATOM 2120 N GLN A 137 -0.618 -28.970 5.499 1.00 0.00 N ATOM 2121 CA GLN A 137 -0.587 -28.034 6.628 1.00 0.00 C ATOM 2122 C GLN A 137 -1.300 -26.728 6.270 1.00 0.00 C ATOM 2123 O GLN A 137 -2.135 -26.245 7.038 1.00 0.00 O ATOM 2124 CB GLN A 137 0.832 -27.742 7.132 1.00 0.00 C ATOM 2125 CG GLN A 137 1.573 -29.018 7.515 1.00 0.00 C ATOM 2126 CD GLN A 137 1.007 -29.775 8.722 1.00 0.00 C ATOM 2127 OE1 GLN A 137 0.364 -29.212 9.609 1.00 0.00 O ATOM 2128 NE2 GLN A 137 1.270 -31.074 8.796 1.00 0.00 N ATOM 0 H GLN A 137 -0.175 -28.608 4.655 1.00 0.00 H new ATOM 0 HA GLN A 137 -1.117 -28.525 7.444 1.00 0.00 H new ATOM 0 HB2 GLN A 137 1.391 -27.216 6.358 1.00 0.00 H new ATOM 0 HB3 GLN A 137 0.781 -27.079 7.995 1.00 0.00 H new ATOM 0 HG2 GLN A 137 1.573 -29.689 6.656 1.00 0.00 H new ATOM 0 HG3 GLN A 137 2.613 -28.765 7.722 1.00 0.00 H new ATOM 0 HE21 GLN A 137 1.803 -31.529 8.055 1.00 0.00 H new ATOM 0 HE22 GLN A 137 0.939 -31.617 9.593 1.00 0.00 H new ATOM 2137 N LEU A 138 -0.962 -26.132 5.117 1.00 0.00 N ATOM 2138 CA LEU A 138 -1.551 -24.867 4.670 1.00 0.00 C ATOM 2139 C LEU A 138 -2.016 -24.985 3.225 1.00 0.00 C ATOM 2140 O LEU A 138 -1.327 -25.598 2.414 1.00 0.00 O ATOM 2141 CB LEU A 138 -0.550 -23.695 4.787 1.00 0.00 C ATOM 2142 CG LEU A 138 -0.156 -23.183 6.191 1.00 0.00 C ATOM 2143 CD1 LEU A 138 -1.384 -22.894 7.058 1.00 0.00 C ATOM 2144 CD2 LEU A 138 0.803 -24.102 6.951 1.00 0.00 C ATOM 0 H LEU A 138 -0.273 -26.516 4.470 1.00 0.00 H new ATOM 0 HA LEU A 138 -2.401 -24.658 5.319 1.00 0.00 H new ATOM 0 HB2 LEU A 138 0.366 -23.992 4.276 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -0.964 -22.852 4.234 1.00 0.00 H new ATOM 0 HG LEU A 138 0.382 -22.255 5.998 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -1.063 -22.536 8.036 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -1.998 -22.133 6.577 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -1.967 -23.807 7.179 1.00 0.00 H new ATOM 0 HD21 LEU A 138 1.027 -23.668 7.925 1.00 0.00 H new ATOM 0 HD22 LEU A 138 0.339 -25.079 7.087 1.00 0.00 H new ATOM 0 HD23 LEU A 138 1.726 -24.214 6.383 1.00 0.00 H new ATOM 2156 N PHE A 139 -3.125 -24.315 2.886 1.00 0.00 N ATOM 2157 CA PHE A 139 -3.680 -24.208 1.524 1.00 0.00 C ATOM 2158 C PHE A 139 -2.937 -23.224 0.604 1.00 0.00 C ATOM 2159 O PHE A 139 -3.490 -22.718 -0.371 1.00 0.00 O ATOM 2160 CB PHE A 139 -5.157 -23.804 1.589 1.00 0.00 C ATOM 2161 CG PHE A 139 -6.130 -24.787 2.195 1.00 0.00 C ATOM 2162 CD1 PHE A 139 -6.443 -25.978 1.514 1.00 0.00 C ATOM 2163 CD2 PHE A 139 -6.827 -24.448 3.368 1.00 0.00 C ATOM 2164 CE1 PHE A 139 -7.441 -26.833 2.017 1.00 0.00 C ATOM 2165 CE2 PHE A 139 -7.847 -25.285 3.849 1.00 0.00 C ATOM 2166 CZ PHE A 139 -8.151 -26.480 3.180 1.00 0.00 C ATOM 0 H PHE A 139 -3.684 -23.813 3.576 1.00 0.00 H new ATOM 0 HA PHE A 139 -3.556 -25.198 1.085 1.00 0.00 H new ATOM 0 HB2 PHE A 139 -5.225 -22.874 2.153 1.00 0.00 H new ATOM 0 HB3 PHE A 139 -5.490 -23.586 0.574 1.00 0.00 H new ATOM 0 HD1 PHE A 139 -5.918 -26.236 0.606 1.00 0.00 H new ATOM 0 HD2 PHE A 139 -6.577 -23.542 3.900 1.00 0.00 H new ATOM 0 HE1 PHE A 139 -7.662 -27.761 1.510 1.00 0.00 H new ATOM 0 HE2 PHE A 139 -8.398 -25.008 4.735 1.00 0.00 H new ATOM 0 HZ PHE A 139 -8.929 -27.128 3.557 1.00 0.00 H new ATOM 2176 N VAL A 140 -1.715 -22.875 0.986 1.00 0.00 N ATOM 2177 CA VAL A 140 -0.828 -21.870 0.375 1.00 0.00 C ATOM 2178 C VAL A 140 -1.508 -20.513 0.082 1.00 0.00 C ATOM 2179 O VAL A 140 -0.971 -19.694 -0.659 1.00 0.00 O ATOM 2180 CB VAL A 140 -0.028 -22.447 -0.825 1.00 0.00 C ATOM 2181 CG1 VAL A 140 0.605 -23.793 -0.469 1.00 0.00 C ATOM 2182 CG2 VAL A 140 -0.804 -22.623 -2.135 1.00 0.00 C ATOM 0 H VAL A 140 -1.276 -23.317 1.794 1.00 0.00 H new ATOM 0 HA VAL A 140 -0.091 -21.624 1.140 1.00 0.00 H new ATOM 0 HB VAL A 140 0.722 -21.678 -1.011 1.00 0.00 H new ATOM 0 HG11 VAL A 140 1.159 -24.173 -1.328 1.00 0.00 H new ATOM 0 HG12 VAL A 140 1.285 -23.664 0.373 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -0.177 -24.503 -0.198 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -0.142 -23.032 -2.898 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -1.638 -23.306 -1.975 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -1.184 -21.656 -2.465 1.00 0.00 H new ATOM 2192 N GLY A 141 -2.681 -20.246 0.657 1.00 0.00 N ATOM 2193 CA GLY A 141 -3.537 -19.127 0.313 1.00 0.00 C ATOM 2194 C GLY A 141 -4.899 -19.329 0.972 1.00 0.00 C ATOM 2195 O GLY A 141 -5.133 -20.376 1.575 1.00 0.00 O ATOM 0 H GLY A 141 -3.068 -20.828 1.400 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -3.090 -18.192 0.650 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -3.648 -19.055 -0.769 1.00 0.00 H new ATOM 2199 N LEU A 142 -5.797 -18.346 0.879 1.00 0.00 N ATOM 2200 CA LEU A 142 -7.142 -18.418 1.462 1.00 0.00 C ATOM 2201 C LEU A 142 -8.042 -19.383 0.699 1.00 0.00 C ATOM 2202 O LEU A 142 -8.032 -19.432 -0.531 1.00 0.00 O ATOM 2203 CB LEU A 142 -7.743 -17.012 1.630 1.00 0.00 C ATOM 2204 CG LEU A 142 -9.275 -16.814 1.549 1.00 0.00 C ATOM 2205 CD1 LEU A 142 -9.938 -17.227 2.865 1.00 0.00 C ATOM 2206 CD2 LEU A 142 -9.637 -15.341 1.310 1.00 0.00 C ATOM 0 H LEU A 142 -5.611 -17.469 0.393 1.00 0.00 H new ATOM 0 HA LEU A 142 -7.060 -18.838 2.465 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -7.417 -16.633 2.599 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -7.292 -16.373 0.870 1.00 0.00 H new ATOM 0 HG LEU A 142 -9.627 -17.429 0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 142 -11.016 -17.081 2.791 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -9.727 -18.277 3.065 1.00 0.00 H new ATOM 0 HD13 LEU A 142 -9.544 -16.617 3.678 1.00 0.00 H new ATOM 0 HD21 LEU A 142 -10.721 -15.236 1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 142 -9.253 -14.734 2.130 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -9.195 -15.005 0.372 1.00 0.00 H new ATOM 2218 N ALA A 143 -8.859 -20.089 1.478 1.00 0.00 N ATOM 2219 CA ALA A 143 -9.856 -21.053 1.064 1.00 0.00 C ATOM 2220 C ALA A 143 -11.250 -20.432 1.195 1.00 0.00 C ATOM 2221 O ALA A 143 -11.577 -19.928 2.267 1.00 0.00 O ATOM 2222 CB ALA A 143 -9.698 -22.241 2.026 1.00 0.00 C ATOM 0 H ALA A 143 -8.833 -19.988 2.493 1.00 0.00 H new ATOM 0 HA ALA A 143 -9.733 -21.363 0.026 1.00 0.00 H new ATOM 0 HB1 ALA A 143 -10.424 -23.014 1.772 1.00 0.00 H new ATOM 0 HB2 ALA A 143 -8.690 -22.647 1.940 1.00 0.00 H new ATOM 0 HB3 ALA A 143 -9.868 -21.906 3.049 1.00 0.00 H new ATOM 2228 N LEU A 144 -12.084 -20.508 0.157 1.00 0.00 N ATOM 2229 CA LEU A 144 -13.495 -20.092 0.175 1.00 0.00 C ATOM 2230 C LEU A 144 -14.344 -21.233 -0.391 1.00 0.00 C ATOM 2231 O LEU A 144 -13.844 -22.029 -1.187 1.00 0.00 O ATOM 2232 CB LEU A 144 -13.718 -18.810 -0.654 1.00 0.00 C ATOM 2233 CG LEU A 144 -12.916 -17.566 -0.244 1.00 0.00 C ATOM 2234 CD1 LEU A 144 -13.197 -16.403 -1.201 1.00 0.00 C ATOM 2235 CD2 LEU A 144 -13.281 -17.116 1.174 1.00 0.00 C ATOM 0 H LEU A 144 -11.791 -20.872 -0.750 1.00 0.00 H new ATOM 0 HA LEU A 144 -13.785 -19.872 1.202 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -13.485 -19.035 -1.695 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -14.778 -18.559 -0.611 1.00 0.00 H new ATOM 0 HG LEU A 144 -11.861 -17.837 -0.282 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -12.620 -15.531 -0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -12.912 -16.688 -2.214 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -14.260 -16.161 -1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -12.698 -16.234 1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -14.343 -16.875 1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -13.062 -17.919 1.878 1.00 0.00 H new ATOM 2247 N ASP A 145 -15.623 -21.288 -0.023 1.00 0.00 N ATOM 2248 CA ASP A 145 -16.571 -22.312 -0.455 1.00 0.00 C ATOM 2249 C ASP A 145 -17.841 -21.658 -1.021 1.00 0.00 C ATOM 2250 O ASP A 145 -18.140 -20.517 -0.663 1.00 0.00 O ATOM 2251 CB ASP A 145 -16.881 -23.255 0.711 1.00 0.00 C ATOM 2252 CG ASP A 145 -17.755 -24.407 0.231 1.00 0.00 C ATOM 2253 OD1 ASP A 145 -17.206 -25.393 -0.302 1.00 0.00 O ATOM 2254 OD2 ASP A 145 -18.994 -24.307 0.371 1.00 0.00 O ATOM 0 H ASP A 145 -16.040 -20.600 0.603 1.00 0.00 H new ATOM 0 HA ASP A 145 -16.129 -22.906 -1.255 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -15.954 -23.642 1.133 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -17.389 -22.709 1.506 1.00 0.00 H new ATOM 2259 N GLU A 146 -18.584 -22.339 -1.901 1.00 0.00 N ATOM 2260 CA GLU A 146 -19.779 -21.794 -2.560 1.00 0.00 C ATOM 2261 C GLU A 146 -20.980 -22.765 -2.515 1.00 0.00 C ATOM 2262 O GLU A 146 -21.964 -22.558 -3.232 1.00 0.00 O ATOM 2263 CB GLU A 146 -19.420 -21.369 -3.999 1.00 0.00 C ATOM 2264 CG GLU A 146 -19.883 -19.947 -4.356 1.00 0.00 C ATOM 2265 CD GLU A 146 -21.414 -19.778 -4.417 1.00 0.00 C ATOM 2266 OE1 GLU A 146 -22.015 -20.047 -5.486 1.00 0.00 O ATOM 2267 OE2 GLU A 146 -22.012 -19.295 -3.425 1.00 0.00 O ATOM 0 H GLU A 146 -18.370 -23.297 -2.180 1.00 0.00 H new ATOM 0 HA GLU A 146 -20.106 -20.914 -2.006 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -18.340 -21.433 -4.129 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -19.868 -22.074 -4.699 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -19.481 -19.251 -3.620 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -19.459 -19.671 -5.322 1.00 0.00 H new ATOM 2274 N THR A 147 -20.927 -23.825 -1.696 1.00 0.00 N ATOM 2275 CA THR A 147 -21.891 -24.924 -1.748 1.00 0.00 C ATOM 2276 C THR A 147 -22.361 -25.345 -0.356 1.00 0.00 C ATOM 2277 O THR A 147 -23.563 -25.438 -0.107 1.00 0.00 O ATOM 2278 CB THR A 147 -21.236 -26.096 -2.508 1.00 0.00 C ATOM 2279 OG1 THR A 147 -20.907 -25.694 -3.831 1.00 0.00 O ATOM 2280 CG2 THR A 147 -22.117 -27.355 -2.569 1.00 0.00 C ATOM 0 H THR A 147 -20.211 -23.941 -0.979 1.00 0.00 H new ATOM 0 HA THR A 147 -22.788 -24.596 -2.273 1.00 0.00 H new ATOM 0 HB THR A 147 -20.338 -26.358 -1.948 1.00 0.00 H new ATOM 0 HG1 THR A 147 -20.490 -26.443 -4.306 1.00 0.00 H new ATOM 0 HG21 THR A 147 -21.594 -28.139 -3.118 1.00 0.00 H new ATOM 0 HG22 THR A 147 -22.329 -27.700 -1.557 1.00 0.00 H new ATOM 0 HG23 THR A 147 -23.053 -27.120 -3.076 1.00 0.00 H new ATOM 2288 N ASN A 148 -21.420 -25.611 0.546 1.00 0.00 N ATOM 2289 CA ASN A 148 -21.649 -26.222 1.856 1.00 0.00 C ATOM 2290 C ASN A 148 -21.413 -25.217 2.983 1.00 0.00 C ATOM 2291 O ASN A 148 -22.068 -25.317 4.020 1.00 0.00 O ATOM 2292 CB ASN A 148 -20.750 -27.462 2.058 1.00 0.00 C ATOM 2293 CG ASN A 148 -19.292 -27.213 1.693 1.00 0.00 C ATOM 2294 OD1 ASN A 148 -18.491 -26.785 2.515 1.00 0.00 O ATOM 2295 ND2 ASN A 148 -18.922 -27.400 0.440 1.00 0.00 N ATOM 0 H ASN A 148 -20.436 -25.399 0.379 1.00 0.00 H new ATOM 0 HA ASN A 148 -22.691 -26.540 1.887 1.00 0.00 H new ATOM 0 HB2 ASN A 148 -20.808 -27.779 3.099 1.00 0.00 H new ATOM 0 HB3 ASN A 148 -21.134 -28.283 1.453 1.00 0.00 H new ATOM 0 HD21 ASN A 148 -17.966 -27.188 0.153 1.00 0.00 H new ATOM 0 HD22 ASN A 148 -19.592 -27.757 -0.242 1.00 0.00 H new ATOM 2302 N GLN A 149 -20.491 -24.265 2.799 1.00 0.00 N ATOM 2303 CA GLN A 149 -20.043 -23.326 3.827 1.00 0.00 C ATOM 2304 C GLN A 149 -19.998 -21.890 3.281 1.00 0.00 C ATOM 2305 O GLN A 149 -19.236 -21.062 3.777 1.00 0.00 O ATOM 2306 CB GLN A 149 -18.695 -23.817 4.393 1.00 0.00 C ATOM 2307 CG GLN A 149 -18.856 -25.034 5.326 1.00 0.00 C ATOM 2308 CD GLN A 149 -17.526 -25.683 5.721 1.00 0.00 C ATOM 2309 OE1 GLN A 149 -16.465 -24.907 5.916 1.00 0.00 O flip ATOM 2310 NE2 GLN A 149 -17.421 -26.900 5.842 1.00 0.00 N flip ATOM 0 H GLN A 149 -20.024 -24.125 1.903 1.00 0.00 H new ATOM 0 HA GLN A 149 -20.755 -23.295 4.652 1.00 0.00 H new ATOM 0 HB2 GLN A 149 -18.032 -24.080 3.569 1.00 0.00 H new ATOM 0 HB3 GLN A 149 -18.216 -23.005 4.940 1.00 0.00 H new ATOM 0 HG2 GLN A 149 -19.381 -24.722 6.229 1.00 0.00 H new ATOM 0 HG3 GLN A 149 -19.482 -25.778 4.834 1.00 0.00 H new ATOM 0 HE21 GLN A 149 -18.233 -27.499 5.693 1.00 0.00 H new ATOM 0 HE22 GLN A 149 -16.522 -27.312 6.091 1.00 0.00 H new ATOM 2319 N TYR A 150 -20.824 -21.575 2.275 1.00 0.00 N ATOM 2320 CA TYR A 150 -20.831 -20.267 1.615 1.00 0.00 C ATOM 2321 C TYR A 150 -21.173 -19.129 2.587 1.00 0.00 C ATOM 2322 O TYR A 150 -20.728 -17.998 2.389 1.00 0.00 O ATOM 2323 CB TYR A 150 -21.800 -20.293 0.422 1.00 0.00 C ATOM 2324 CG TYR A 150 -23.259 -20.575 0.759 1.00 0.00 C ATOM 2325 CD1 TYR A 150 -24.100 -19.535 1.202 1.00 0.00 C ATOM 2326 CD2 TYR A 150 -23.779 -21.877 0.624 1.00 0.00 C ATOM 2327 CE1 TYR A 150 -25.439 -19.796 1.536 1.00 0.00 C ATOM 2328 CE2 TYR A 150 -25.120 -22.148 0.954 1.00 0.00 C ATOM 2329 CZ TYR A 150 -25.958 -21.106 1.417 1.00 0.00 C ATOM 2330 OH TYR A 150 -27.262 -21.345 1.737 1.00 0.00 O ATOM 0 H TYR A 150 -21.510 -22.227 1.895 1.00 0.00 H new ATOM 0 HA TYR A 150 -19.824 -20.067 1.250 1.00 0.00 H new ATOM 0 HB2 TYR A 150 -21.744 -19.332 -0.088 1.00 0.00 H new ATOM 0 HB3 TYR A 150 -21.457 -21.049 -0.284 1.00 0.00 H new ATOM 0 HD1 TYR A 150 -23.712 -18.530 1.285 1.00 0.00 H new ATOM 0 HD2 TYR A 150 -23.144 -22.673 0.265 1.00 0.00 H new ATOM 0 HE1 TYR A 150 -26.074 -18.995 1.884 1.00 0.00 H new ATOM 0 HE2 TYR A 150 -25.509 -23.150 0.854 1.00 0.00 H new ATOM 0 HH TYR A 150 -27.464 -22.294 1.600 1.00 0.00 H new ATOM 2340 N ASP A 151 -21.926 -19.418 3.654 1.00 0.00 N ATOM 2341 CA ASP A 151 -22.255 -18.434 4.687 1.00 0.00 C ATOM 2342 C ASP A 151 -20.996 -17.969 5.429 1.00 0.00 C ATOM 2343 O ASP A 151 -20.891 -16.798 5.800 1.00 0.00 O ATOM 2344 CB ASP A 151 -23.245 -19.043 5.683 1.00 0.00 C ATOM 2345 CG ASP A 151 -23.570 -18.050 6.814 1.00 0.00 C ATOM 2346 OD1 ASP A 151 -24.300 -17.063 6.558 1.00 0.00 O ATOM 2347 OD2 ASP A 151 -23.129 -18.276 7.968 1.00 0.00 O ATOM 0 H ASP A 151 -22.324 -20.342 3.824 1.00 0.00 H new ATOM 0 HA ASP A 151 -22.706 -17.568 4.202 1.00 0.00 H new ATOM 0 HB2 ASP A 151 -24.162 -19.323 5.165 1.00 0.00 H new ATOM 0 HB3 ASP A 151 -22.826 -19.957 6.105 1.00 0.00 H new ATOM 2352 N LEU A 152 -20.015 -18.868 5.608 1.00 0.00 N ATOM 2353 CA LEU A 152 -18.769 -18.565 6.310 1.00 0.00 C ATOM 2354 C LEU A 152 -17.739 -17.931 5.393 1.00 0.00 C ATOM 2355 O LEU A 152 -16.785 -17.362 5.906 1.00 0.00 O ATOM 2356 CB LEU A 152 -18.176 -19.815 6.982 1.00 0.00 C ATOM 2357 CG LEU A 152 -19.021 -20.365 8.144 1.00 0.00 C ATOM 2358 CD1 LEU A 152 -18.416 -21.689 8.620 1.00 0.00 C ATOM 2359 CD2 LEU A 152 -19.094 -19.363 9.304 1.00 0.00 C ATOM 0 H LEU A 152 -20.069 -19.828 5.267 1.00 0.00 H new ATOM 0 HA LEU A 152 -19.023 -17.843 7.086 1.00 0.00 H new ATOM 0 HB2 LEU A 152 -18.058 -20.596 6.231 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -17.179 -19.576 7.353 1.00 0.00 H new ATOM 0 HG LEU A 152 -20.039 -20.531 7.791 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -19.010 -22.085 9.444 1.00 0.00 H new ATOM 0 HD12 LEU A 152 -18.414 -22.404 7.798 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -17.393 -21.521 8.958 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -19.698 -19.782 10.109 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -18.089 -19.160 9.673 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -19.547 -18.435 8.955 1.00 0.00 H new ATOM 2371 N SER A 153 -17.893 -17.979 4.069 1.00 0.00 N ATOM 2372 CA SER A 153 -16.935 -17.350 3.167 1.00 0.00 C ATOM 2373 C SER A 153 -16.782 -15.847 3.460 1.00 0.00 C ATOM 2374 O SER A 153 -15.686 -15.326 3.303 1.00 0.00 O ATOM 2375 CB SER A 153 -17.347 -17.646 1.728 1.00 0.00 C ATOM 2376 OG SER A 153 -17.209 -19.039 1.505 1.00 0.00 O ATOM 0 H SER A 153 -18.670 -18.446 3.601 1.00 0.00 H new ATOM 0 HA SER A 153 -15.943 -17.771 3.328 1.00 0.00 H new ATOM 0 HB2 SER A 153 -18.377 -17.334 1.556 1.00 0.00 H new ATOM 0 HB3 SER A 153 -16.723 -17.086 1.031 1.00 0.00 H new ATOM 0 HG SER A 153 -17.625 -19.276 0.650 1.00 0.00 H new ATOM 2382 N ASP A 154 -17.808 -15.171 3.990 1.00 0.00 N ATOM 2383 CA ASP A 154 -17.692 -13.782 4.448 1.00 0.00 C ATOM 2384 C ASP A 154 -16.650 -13.633 5.562 1.00 0.00 C ATOM 2385 O ASP A 154 -15.787 -12.754 5.507 1.00 0.00 O ATOM 2386 CB ASP A 154 -19.053 -13.291 4.948 1.00 0.00 C ATOM 2387 CG ASP A 154 -18.936 -11.890 5.577 1.00 0.00 C ATOM 2388 OD1 ASP A 154 -18.806 -10.908 4.809 1.00 0.00 O ATOM 2389 OD2 ASP A 154 -19.022 -11.767 6.822 1.00 0.00 O ATOM 0 H ASP A 154 -18.739 -15.570 4.113 1.00 0.00 H new ATOM 0 HA ASP A 154 -17.363 -13.179 3.602 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -19.761 -13.264 4.120 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -19.449 -13.992 5.683 1.00 0.00 H new ATOM 2394 N GLU A 155 -16.694 -14.538 6.537 1.00 0.00 N ATOM 2395 CA GLU A 155 -15.774 -14.608 7.666 1.00 0.00 C ATOM 2396 C GLU A 155 -14.373 -14.982 7.184 1.00 0.00 C ATOM 2397 O GLU A 155 -13.384 -14.360 7.574 1.00 0.00 O ATOM 2398 CB GLU A 155 -16.343 -15.625 8.676 1.00 0.00 C ATOM 2399 CG GLU A 155 -15.510 -15.772 9.949 1.00 0.00 C ATOM 2400 CD GLU A 155 -15.814 -14.679 10.995 1.00 0.00 C ATOM 2401 OE1 GLU A 155 -15.670 -13.469 10.697 1.00 0.00 O ATOM 2402 OE2 GLU A 155 -16.193 -15.030 12.140 1.00 0.00 O ATOM 0 H GLU A 155 -17.402 -15.272 6.561 1.00 0.00 H new ATOM 0 HA GLU A 155 -15.680 -13.640 8.158 1.00 0.00 H new ATOM 0 HB2 GLU A 155 -17.354 -15.323 8.949 1.00 0.00 H new ATOM 0 HB3 GLU A 155 -16.421 -16.598 8.191 1.00 0.00 H new ATOM 0 HG2 GLU A 155 -15.698 -16.751 10.389 1.00 0.00 H new ATOM 0 HG3 GLU A 155 -14.452 -15.736 9.691 1.00 0.00 H new ATOM 2409 N ARG A 156 -14.290 -15.968 6.288 1.00 0.00 N ATOM 2410 CA ARG A 156 -13.020 -16.424 5.727 1.00 0.00 C ATOM 2411 C ARG A 156 -12.360 -15.281 4.947 1.00 0.00 C ATOM 2412 O ARG A 156 -11.155 -15.108 5.095 1.00 0.00 O ATOM 2413 CB ARG A 156 -13.216 -17.702 4.881 1.00 0.00 C ATOM 2414 CG ARG A 156 -13.793 -18.882 5.693 1.00 0.00 C ATOM 2415 CD ARG A 156 -14.070 -20.137 4.850 1.00 0.00 C ATOM 2416 NE ARG A 156 -12.900 -21.039 4.780 1.00 0.00 N ATOM 2417 CZ ARG A 156 -12.894 -22.297 4.324 1.00 0.00 C ATOM 2418 NH1 ARG A 156 -13.948 -22.797 3.688 1.00 0.00 N ATOM 2419 NH2 ARG A 156 -11.831 -23.073 4.502 1.00 0.00 N ATOM 0 H ARG A 156 -15.102 -16.472 5.932 1.00 0.00 H new ATOM 0 HA ARG A 156 -12.341 -16.701 6.534 1.00 0.00 H new ATOM 0 HB2 ARG A 156 -13.884 -17.481 4.048 1.00 0.00 H new ATOM 0 HB3 ARG A 156 -12.258 -17.997 4.452 1.00 0.00 H new ATOM 0 HG2 ARG A 156 -13.095 -19.138 6.491 1.00 0.00 H new ATOM 0 HG3 ARG A 156 -14.720 -18.564 6.170 1.00 0.00 H new ATOM 0 HD2 ARG A 156 -14.917 -20.677 5.274 1.00 0.00 H new ATOM 0 HD3 ARG A 156 -14.356 -19.838 3.841 1.00 0.00 H new ATOM 0 HE ARG A 156 -12.011 -20.666 5.112 1.00 0.00 H new ATOM 0 HH11 ARG A 156 -14.776 -22.220 3.542 1.00 0.00 H new ATOM 0 HH12 ARG A 156 -13.929 -23.758 3.346 1.00 0.00 H new ATOM 0 HH21 ARG A 156 -11.011 -22.711 4.989 1.00 0.00 H new ATOM 0 HH22 ARG A 156 -11.834 -24.031 4.151 1.00 0.00 H new ATOM 2433 N ILE A 157 -13.110 -14.471 4.186 1.00 0.00 N ATOM 2434 CA ILE A 157 -12.567 -13.266 3.546 1.00 0.00 C ATOM 2435 C ILE A 157 -12.113 -12.305 4.653 1.00 0.00 C ATOM 2436 O ILE A 157 -10.953 -11.904 4.639 1.00 0.00 O ATOM 2437 CB ILE A 157 -13.580 -12.596 2.571 1.00 0.00 C ATOM 2438 CG1 ILE A 157 -13.983 -13.476 1.362 1.00 0.00 C ATOM 2439 CG2 ILE A 157 -12.977 -11.307 1.978 1.00 0.00 C ATOM 2440 CD1 ILE A 157 -15.337 -13.088 0.748 1.00 0.00 C ATOM 0 H ILE A 157 -14.100 -14.631 3.999 1.00 0.00 H new ATOM 0 HA ILE A 157 -11.717 -13.543 2.923 1.00 0.00 H new ATOM 0 HB ILE A 157 -14.464 -12.412 3.181 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -13.211 -13.403 0.596 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -14.021 -14.519 1.678 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -13.695 -10.849 1.298 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -12.744 -10.610 2.783 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -12.065 -11.549 1.433 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -15.556 -13.745 -0.094 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -16.120 -13.188 1.500 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -15.297 -12.055 0.401 1.00 0.00 H new ATOM 2452 N GLN A 158 -12.987 -11.934 5.594 1.00 0.00 N ATOM 2453 CA GLN A 158 -12.722 -10.943 6.634 1.00 0.00 C ATOM 2454 C GLN A 158 -11.415 -11.222 7.363 1.00 0.00 C ATOM 2455 O GLN A 158 -10.493 -10.407 7.297 1.00 0.00 O ATOM 2456 CB GLN A 158 -13.931 -10.831 7.571 1.00 0.00 C ATOM 2457 CG GLN A 158 -13.679 -9.843 8.718 1.00 0.00 C ATOM 2458 CD GLN A 158 -13.577 -8.384 8.286 1.00 0.00 C ATOM 2459 OE1 GLN A 158 -14.435 -7.859 7.583 1.00 0.00 O ATOM 2460 NE2 GLN A 158 -12.529 -7.695 8.711 1.00 0.00 N ATOM 0 H GLN A 158 -13.926 -12.329 5.652 1.00 0.00 H new ATOM 0 HA GLN A 158 -12.585 -9.968 6.167 1.00 0.00 H new ATOM 0 HB2 GLN A 158 -14.803 -10.510 7.001 1.00 0.00 H new ATOM 0 HB3 GLN A 158 -14.163 -11.813 7.983 1.00 0.00 H new ATOM 0 HG2 GLN A 158 -14.485 -9.938 9.446 1.00 0.00 H new ATOM 0 HG3 GLN A 158 -12.756 -10.124 9.226 1.00 0.00 H new ATOM 0 HE21 GLN A 158 -11.825 -8.146 9.295 1.00 0.00 H new ATOM 0 HE22 GLN A 158 -12.426 -6.713 8.455 1.00 0.00 H new ATOM 2469 N SER A 159 -11.337 -12.350 8.055 1.00 0.00 N ATOM 2470 CA SER A 159 -10.214 -12.598 8.945 1.00 0.00 C ATOM 2471 C SER A 159 -8.907 -12.733 8.160 1.00 0.00 C ATOM 2472 O SER A 159 -7.858 -12.284 8.624 1.00 0.00 O ATOM 2473 CB SER A 159 -10.500 -13.829 9.813 1.00 0.00 C ATOM 2474 OG SER A 159 -11.728 -13.661 10.509 1.00 0.00 O ATOM 0 H SER A 159 -12.029 -13.099 8.018 1.00 0.00 H new ATOM 0 HA SER A 159 -10.089 -11.742 9.609 1.00 0.00 H new ATOM 0 HB2 SER A 159 -10.546 -14.721 9.189 1.00 0.00 H new ATOM 0 HB3 SER A 159 -9.688 -13.979 10.524 1.00 0.00 H new ATOM 0 HG SER A 159 -11.903 -14.453 11.059 1.00 0.00 H new ATOM 2480 N TRP A 160 -8.967 -13.275 6.939 1.00 0.00 N ATOM 2481 CA TRP A 160 -7.809 -13.362 6.062 1.00 0.00 C ATOM 2482 C TRP A 160 -7.362 -11.981 5.617 1.00 0.00 C ATOM 2483 O TRP A 160 -6.179 -11.685 5.689 1.00 0.00 O ATOM 2484 CB TRP A 160 -8.161 -14.221 4.858 1.00 0.00 C ATOM 2485 CG TRP A 160 -7.080 -14.318 3.837 1.00 0.00 C ATOM 2486 CD1 TRP A 160 -6.018 -15.142 3.916 1.00 0.00 C ATOM 2487 CD2 TRP A 160 -6.946 -13.602 2.572 1.00 0.00 C ATOM 2488 NE1 TRP A 160 -5.328 -15.096 2.721 1.00 0.00 N ATOM 2489 CE2 TRP A 160 -5.824 -14.132 1.877 1.00 0.00 C ATOM 2490 CE3 TRP A 160 -7.682 -12.589 1.926 1.00 0.00 C ATOM 2491 CZ2 TRP A 160 -5.449 -13.685 0.606 1.00 0.00 C ATOM 2492 CZ3 TRP A 160 -7.308 -12.116 0.655 1.00 0.00 C ATOM 2493 CH2 TRP A 160 -6.190 -12.658 -0.002 1.00 0.00 C ATOM 0 H TRP A 160 -9.821 -13.663 6.537 1.00 0.00 H new ATOM 0 HA TRP A 160 -6.982 -13.818 6.606 1.00 0.00 H new ATOM 0 HB2 TRP A 160 -8.410 -15.225 5.203 1.00 0.00 H new ATOM 0 HB3 TRP A 160 -9.055 -13.815 4.386 1.00 0.00 H new ATOM 0 HD1 TRP A 160 -5.750 -15.741 4.774 1.00 0.00 H new ATOM 0 HE1 TRP A 160 -4.543 -15.706 2.492 1.00 0.00 H new ATOM 0 HE3 TRP A 160 -8.548 -12.168 2.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 160 -4.602 -14.123 0.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 160 -7.882 -11.333 0.182 1.00 0.00 H new ATOM 0 HH2 TRP A 160 -5.901 -12.285 -0.974 1.00 0.00 H new ATOM 2504 N CYS A 161 -8.285 -11.121 5.194 1.00 0.00 N ATOM 2505 CA CYS A 161 -7.968 -9.766 4.754 1.00 0.00 C ATOM 2506 C CYS A 161 -7.270 -9.002 5.870 1.00 0.00 C ATOM 2507 O CYS A 161 -6.266 -8.342 5.616 1.00 0.00 O ATOM 2508 CB CYS A 161 -9.259 -9.030 4.373 1.00 0.00 C ATOM 2509 SG CYS A 161 -9.888 -9.645 2.798 1.00 0.00 S ATOM 0 H CYS A 161 -9.279 -11.346 5.147 1.00 0.00 H new ATOM 0 HA CYS A 161 -7.308 -9.825 3.889 1.00 0.00 H new ATOM 0 HB2 CYS A 161 -10.009 -9.170 5.152 1.00 0.00 H new ATOM 0 HB3 CYS A 161 -9.068 -7.959 4.303 1.00 0.00 H new ATOM 0 HG CYS A 161 -10.509 -10.771 2.989 1.00 0.00 H new ATOM 2515 N GLU A 162 -7.763 -9.114 7.105 1.00 0.00 N ATOM 2516 CA GLU A 162 -7.115 -8.471 8.240 1.00 0.00 C ATOM 2517 C GLU A 162 -5.708 -9.038 8.425 1.00 0.00 C ATOM 2518 O GLU A 162 -4.742 -8.293 8.576 1.00 0.00 O ATOM 2519 CB GLU A 162 -7.949 -8.618 9.516 1.00 0.00 C ATOM 2520 CG GLU A 162 -9.234 -7.800 9.401 1.00 0.00 C ATOM 2521 CD GLU A 162 -9.991 -7.789 10.738 1.00 0.00 C ATOM 2522 OE1 GLU A 162 -9.631 -7.000 11.645 1.00 0.00 O1- ATOM 2523 OE2 GLU A 162 -10.976 -8.555 10.862 1.00 0.00 O ATOM 0 H GLU A 162 -8.604 -9.641 7.340 1.00 0.00 H new ATOM 0 HA GLU A 162 -7.034 -7.404 8.034 1.00 0.00 H new ATOM 0 HB2 GLU A 162 -8.191 -9.668 9.683 1.00 0.00 H new ATOM 0 HB3 GLU A 162 -7.372 -8.283 10.378 1.00 0.00 H new ATOM 0 HG2 GLU A 162 -8.996 -6.779 9.104 1.00 0.00 H new ATOM 0 HG3 GLU A 162 -9.869 -8.219 8.621 1.00 0.00 H new ATOM 2530 N GLN A 163 -5.578 -10.361 8.326 1.00 0.00 N ATOM 2531 CA GLN A 163 -4.320 -11.055 8.519 1.00 0.00 C ATOM 2532 C GLN A 163 -3.314 -10.617 7.473 1.00 0.00 C ATOM 2533 O GLN A 163 -2.212 -10.238 7.858 1.00 0.00 O ATOM 2534 CB GLN A 163 -4.533 -12.579 8.519 1.00 0.00 C ATOM 2535 CG GLN A 163 -3.226 -13.385 8.649 1.00 0.00 C ATOM 2536 CD GLN A 163 -3.450 -14.878 8.396 1.00 0.00 C ATOM 2537 OE1 GLN A 163 -3.318 -15.708 9.292 1.00 0.00 O ATOM 2538 NE2 GLN A 163 -3.795 -15.251 7.167 1.00 0.00 N ATOM 0 H GLN A 163 -6.357 -10.982 8.107 1.00 0.00 H new ATOM 0 HA GLN A 163 -3.914 -10.791 9.495 1.00 0.00 H new ATOM 0 HB2 GLN A 163 -5.197 -12.845 9.342 1.00 0.00 H new ATOM 0 HB3 GLN A 163 -5.037 -12.867 7.597 1.00 0.00 H new ATOM 0 HG2 GLN A 163 -2.491 -13.003 7.940 1.00 0.00 H new ATOM 0 HG3 GLN A 163 -2.810 -13.244 9.647 1.00 0.00 H new ATOM 0 HE21 GLN A 163 -3.901 -14.551 6.433 1.00 0.00 H new ATOM 0 HE22 GLN A 163 -3.954 -16.237 6.959 1.00 0.00 H new ATOM 2547 N ILE A 164 -3.656 -10.623 6.186 1.00 0.00 N ATOM 2548 CA ILE A 164 -2.694 -10.285 5.144 1.00 0.00 C ATOM 2549 C ILE A 164 -2.270 -8.839 5.273 1.00 0.00 C ATOM 2550 O ILE A 164 -1.110 -8.555 5.012 1.00 0.00 O ATOM 2551 CB ILE A 164 -3.199 -10.598 3.714 1.00 0.00 C ATOM 2552 CG1 ILE A 164 -4.413 -9.780 3.226 1.00 0.00 C ATOM 2553 CG2 ILE A 164 -3.523 -12.086 3.592 1.00 0.00 C ATOM 2554 CD1 ILE A 164 -4.727 -9.974 1.734 1.00 0.00 C ATOM 0 H ILE A 164 -4.588 -10.857 5.843 1.00 0.00 H new ATOM 0 HA ILE A 164 -1.826 -10.927 5.296 1.00 0.00 H new ATOM 0 HB ILE A 164 -2.374 -10.301 3.067 1.00 0.00 H new ATOM 0 HG12 ILE A 164 -5.288 -10.060 3.812 1.00 0.00 H new ATOM 0 HG13 ILE A 164 -4.228 -8.723 3.415 1.00 0.00 H new ATOM 0 HG21 ILE A 164 -3.878 -12.300 2.584 1.00 0.00 H new ATOM 0 HG22 ILE A 164 -2.626 -12.671 3.793 1.00 0.00 H new ATOM 0 HG23 ILE A 164 -4.297 -12.350 4.313 1.00 0.00 H new ATOM 0 HD11 ILE A 164 -5.592 -9.369 1.462 1.00 0.00 H new ATOM 0 HD12 ILE A 164 -3.867 -9.667 1.138 1.00 0.00 H new ATOM 0 HD13 ILE A 164 -4.945 -11.025 1.542 1.00 0.00 H new ATOM 2566 N LEU A 165 -3.148 -7.935 5.710 1.00 0.00 N ATOM 2567 CA LEU A 165 -2.815 -6.510 5.771 1.00 0.00 C ATOM 2568 C LEU A 165 -1.799 -6.306 6.891 1.00 0.00 C ATOM 2569 O LEU A 165 -0.861 -5.534 6.751 1.00 0.00 O ATOM 2570 CB LEU A 165 -4.098 -5.652 5.827 1.00 0.00 C ATOM 2571 CG LEU A 165 -4.568 -5.164 7.210 1.00 0.00 C ATOM 2572 CD1 LEU A 165 -3.845 -3.875 7.617 1.00 0.00 C ATOM 2573 CD2 LEU A 165 -6.077 -4.905 7.173 1.00 0.00 C ATOM 0 H LEU A 165 -4.091 -8.162 6.026 1.00 0.00 H new ATOM 0 HA LEU A 165 -2.326 -6.156 4.863 1.00 0.00 H new ATOM 0 HB2 LEU A 165 -3.945 -4.777 5.196 1.00 0.00 H new ATOM 0 HB3 LEU A 165 -4.908 -6.229 5.381 1.00 0.00 H new ATOM 0 HG LEU A 165 -4.335 -5.937 7.942 1.00 0.00 H new ATOM 0 HD11 LEU A 165 -4.197 -3.554 8.597 1.00 0.00 H new ATOM 0 HD12 LEU A 165 -2.771 -4.058 7.659 1.00 0.00 H new ATOM 0 HD13 LEU A 165 -4.052 -3.095 6.884 1.00 0.00 H new ATOM 0 HD21 LEU A 165 -6.411 -4.560 8.151 1.00 0.00 H new ATOM 0 HD22 LEU A 165 -6.297 -4.144 6.425 1.00 0.00 H new ATOM 0 HD23 LEU A 165 -6.598 -5.827 6.917 1.00 0.00 H new ATOM 2585 N ASN A 166 -1.928 -7.094 7.949 1.00 0.00 N ATOM 2586 CA ASN A 166 -1.002 -7.126 9.072 1.00 0.00 C ATOM 2587 C ASN A 166 0.312 -7.774 8.646 1.00 0.00 C ATOM 2588 O ASN A 166 1.381 -7.239 8.912 1.00 0.00 O ATOM 2589 CB ASN A 166 -1.698 -7.906 10.193 1.00 0.00 C ATOM 2590 CG ASN A 166 -0.826 -8.931 10.905 1.00 0.00 C ATOM 2591 OD1 ASN A 166 -0.119 -8.625 11.859 1.00 0.00 O ATOM 2592 ND2 ASN A 166 -0.901 -10.169 10.438 1.00 0.00 N ATOM 0 H ASN A 166 -2.703 -7.748 8.053 1.00 0.00 H new ATOM 0 HA ASN A 166 -0.751 -6.125 9.423 1.00 0.00 H new ATOM 0 HB2 ASN A 166 -2.072 -7.196 10.930 1.00 0.00 H new ATOM 0 HB3 ASN A 166 -2.565 -8.418 9.774 1.00 0.00 H new ATOM 0 HD21 ASN A 166 -0.357 -10.913 10.875 1.00 0.00 H new ATOM 0 HD22 ASN A 166 -1.503 -10.378 9.641 1.00 0.00 H new ATOM 2599 N GLU A 167 0.240 -8.891 7.933 1.00 0.00 N ATOM 2600 CA GLU A 167 1.367 -9.740 7.641 1.00 0.00 C ATOM 2601 C GLU A 167 2.207 -9.139 6.506 1.00 0.00 C ATOM 2602 O GLU A 167 3.416 -9.351 6.437 1.00 0.00 O ATOM 2603 CB GLU A 167 0.776 -11.139 7.387 1.00 0.00 C ATOM 2604 CG GLU A 167 1.737 -12.060 6.672 1.00 0.00 C ATOM 2605 CD GLU A 167 1.240 -13.512 6.665 1.00 0.00 C ATOM 2606 OE1 GLU A 167 0.273 -13.807 5.927 1.00 0.00 O1- ATOM 2607 OE2 GLU A 167 1.824 -14.361 7.380 1.00 0.00 O ATOM 0 H GLU A 167 -0.634 -9.233 7.534 1.00 0.00 H new ATOM 0 HA GLU A 167 2.086 -9.824 8.456 1.00 0.00 H new ATOM 0 HB2 GLU A 167 0.492 -11.587 8.339 1.00 0.00 H new ATOM 0 HB3 GLU A 167 -0.135 -11.042 6.796 1.00 0.00 H new ATOM 0 HG2 GLU A 167 1.872 -11.718 5.646 1.00 0.00 H new ATOM 0 HG3 GLU A 167 2.713 -12.013 7.155 1.00 0.00 H new ATOM 2614 N MET A 168 1.591 -8.311 5.660 1.00 0.00 N ATOM 2615 CA MET A 168 2.313 -7.542 4.649 1.00 0.00 C ATOM 2616 C MET A 168 2.914 -6.271 5.233 1.00 0.00 C ATOM 2617 O MET A 168 3.953 -5.809 4.771 1.00 0.00 O ATOM 2618 CB MET A 168 1.425 -7.253 3.441 1.00 0.00 C ATOM 2619 CG MET A 168 0.310 -6.221 3.599 1.00 0.00 C ATOM 2620 SD MET A 168 -0.698 -6.132 2.099 1.00 0.00 S ATOM 2621 CE MET A 168 -1.844 -7.541 2.232 1.00 0.00 C ATOM 0 H MET A 168 0.583 -8.156 5.657 1.00 0.00 H new ATOM 0 HA MET A 168 3.147 -8.152 4.301 1.00 0.00 H new ATOM 0 HB2 MET A 168 2.069 -6.926 2.624 1.00 0.00 H new ATOM 0 HB3 MET A 168 0.968 -8.193 3.130 1.00 0.00 H new ATOM 0 HG2 MET A 168 -0.318 -6.485 4.450 1.00 0.00 H new ATOM 0 HG3 MET A 168 0.741 -5.243 3.812 1.00 0.00 H new ATOM 0 HE1 MET A 168 -2.306 -7.727 1.263 1.00 0.00 H new ATOM 0 HE2 MET A 168 -1.295 -8.428 2.548 1.00 0.00 H new ATOM 0 HE3 MET A 168 -2.618 -7.313 2.965 1.00 0.00 H new ATOM 2631 N ALA A 169 2.278 -5.712 6.258 1.00 0.00 N ATOM 2632 CA ALA A 169 2.726 -4.483 6.876 1.00 0.00 C ATOM 2633 C ALA A 169 3.886 -4.743 7.832 1.00 0.00 C ATOM 2634 O ALA A 169 4.825 -3.954 7.906 1.00 0.00 O ATOM 2635 CB ALA A 169 1.558 -3.810 7.589 1.00 0.00 C ATOM 0 H ALA A 169 1.436 -6.105 6.679 1.00 0.00 H new ATOM 0 HA ALA A 169 3.092 -3.810 6.101 1.00 0.00 H new ATOM 0 HB1 ALA A 169 1.899 -2.885 8.053 1.00 0.00 H new ATOM 0 HB2 ALA A 169 0.772 -3.586 6.868 1.00 0.00 H new ATOM 0 HB3 ALA A 169 1.167 -4.478 8.356 1.00 0.00 H new ATOM 2641 N GLU A 170 3.856 -5.876 8.531 1.00 0.00 N ATOM 2642 CA GLU A 170 4.938 -6.256 9.432 1.00 0.00 C ATOM 2643 C GLU A 170 6.206 -6.591 8.634 1.00 0.00 C ATOM 2644 O GLU A 170 7.319 -6.370 9.104 1.00 0.00 O ATOM 2645 CB GLU A 170 4.510 -7.412 10.352 1.00 0.00 C ATOM 2646 CG GLU A 170 4.509 -8.793 9.692 1.00 0.00 C ATOM 2647 CD GLU A 170 4.165 -9.904 10.706 1.00 0.00 C ATOM 2648 OE1 GLU A 170 5.059 -10.296 11.497 1.00 0.00 O1- ATOM 2649 OE2 GLU A 170 3.022 -10.417 10.705 1.00 0.00 O ATOM 0 H GLU A 170 3.090 -6.548 8.489 1.00 0.00 H new ATOM 0 HA GLU A 170 5.170 -5.408 10.077 1.00 0.00 H new ATOM 0 HB2 GLU A 170 5.177 -7.438 11.214 1.00 0.00 H new ATOM 0 HB3 GLU A 170 3.509 -7.205 10.730 1.00 0.00 H new ATOM 0 HG2 GLU A 170 3.786 -8.807 8.876 1.00 0.00 H new ATOM 0 HG3 GLU A 170 5.488 -8.989 9.254 1.00 0.00 H new ATOM 2656 N HIS A 171 6.039 -7.072 7.397 1.00 0.00 N ATOM 2657 CA HIS A 171 7.135 -7.329 6.468 1.00 0.00 C ATOM 2658 C HIS A 171 7.845 -6.019 6.082 1.00 0.00 C ATOM 2659 O HIS A 171 9.031 -6.034 5.745 1.00 0.00 O ATOM 2660 CB HIS A 171 6.564 -8.067 5.248 1.00 0.00 C ATOM 2661 CG HIS A 171 7.580 -8.372 4.181 1.00 0.00 C ATOM 2662 ND1 HIS A 171 8.482 -9.439 4.193 1.00 0.00 N ATOM 2663 CD2 HIS A 171 7.765 -7.633 3.053 1.00 0.00 C ATOM 2664 CE1 HIS A 171 9.221 -9.288 3.077 1.00 0.00 C ATOM 2665 NE2 HIS A 171 8.802 -8.223 2.369 1.00 0.00 N ATOM 0 H HIS A 171 5.122 -7.296 7.011 1.00 0.00 H new ATOM 0 HA HIS A 171 7.894 -7.956 6.937 1.00 0.00 H new ATOM 0 HB2 HIS A 171 6.112 -9.001 5.581 1.00 0.00 H new ATOM 0 HB3 HIS A 171 5.767 -7.464 4.813 1.00 0.00 H new ATOM 0 HD2 HIS A 171 7.208 -6.757 2.754 1.00 0.00 H new ATOM 0 HE1 HIS A 171 10.038 -9.933 2.790 1.00 0.00 H new ATOM 0 HE2 HIS A 171 9.187 -7.908 1.479 1.00 0.00 H new ATOM 2673 N TYR A 172 7.147 -4.879 6.175 1.00 0.00 N ATOM 2674 CA TYR A 172 7.692 -3.549 5.956 1.00 0.00 C ATOM 2675 C TYR A 172 8.396 -2.970 7.196 1.00 0.00 C ATOM 2676 O TYR A 172 9.028 -1.912 7.078 1.00 0.00 O ATOM 2677 CB TYR A 172 6.580 -2.607 5.451 1.00 0.00 C ATOM 2678 CG TYR A 172 6.615 -2.375 3.958 1.00 0.00 C ATOM 2679 CD1 TYR A 172 7.395 -1.327 3.431 1.00 0.00 C ATOM 2680 CD2 TYR A 172 5.877 -3.210 3.098 1.00 0.00 C ATOM 2681 CE1 TYR A 172 7.433 -1.102 2.044 1.00 0.00 C ATOM 2682 CE2 TYR A 172 5.913 -2.991 1.711 1.00 0.00 C ATOM 2683 CZ TYR A 172 6.693 -1.939 1.178 1.00 0.00 C ATOM 2684 OH TYR A 172 6.731 -1.719 -0.161 1.00 0.00 O ATOM 0 H TYR A 172 6.155 -4.866 6.413 1.00 0.00 H new ATOM 0 HA TYR A 172 8.466 -3.637 5.193 1.00 0.00 H new ATOM 0 HB2 TYR A 172 5.611 -3.025 5.723 1.00 0.00 H new ATOM 0 HB3 TYR A 172 6.668 -1.648 5.961 1.00 0.00 H new ATOM 0 HD1 TYR A 172 7.966 -0.694 4.095 1.00 0.00 H new ATOM 0 HD2 TYR A 172 5.285 -4.017 3.504 1.00 0.00 H new ATOM 0 HE1 TYR A 172 8.025 -0.293 1.642 1.00 0.00 H new ATOM 0 HE2 TYR A 172 5.344 -3.628 1.050 1.00 0.00 H new ATOM 0 HH TYR A 172 5.864 -1.950 -0.555 1.00 0.00 H new ATOM 2694 N ALA A 173 8.285 -3.604 8.375 1.00 0.00 N ATOM 2695 CA ALA A 173 8.902 -3.100 9.598 1.00 0.00 C ATOM 2696 C ALA A 173 10.430 -3.139 9.477 1.00 0.00 C ATOM 2697 O ALA A 173 11.088 -2.177 9.934 1.00 0.00 O ATOM 2698 CB ALA A 173 8.439 -3.893 10.826 1.00 0.00 C ATOM 2699 OXT ALA A 173 10.975 -4.144 8.960 1.00 0.00 O1- ATOM 0 H ALA A 173 7.767 -4.474 8.500 1.00 0.00 H new ATOM 0 HA ALA A 173 8.585 -2.066 9.733 1.00 0.00 H new ATOM 0 HB1 ALA A 173 8.917 -3.492 11.720 1.00 0.00 H new ATOM 0 HB2 ALA A 173 7.357 -3.811 10.926 1.00 0.00 H new ATOM 0 HB3 ALA A 173 8.714 -4.941 10.707 1.00 0.00 H new TER 2705 ALA A 173