USER MOD reduce.3.24.130724 H: found=0, std=0, add=1009, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1016 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 10 MET CE :methyl 163:sc= -1.32 (180deg=-2.23!) USER MOD Set 1.2: A 119 MET CE :methyl -169:sc= 0 (180deg=-0.161) USER MOD Set 1.3: A 126 CYS SG : rot 169:sc= -0.112 USER MOD Set 1.4: A 128 GLN : amide:sc= -0.159 K(o=-1.6,f=-3.4) USER MOD Set 2.1: A 94 GLN : amide:sc= 0.871 K(o=2.1,f=0.33) USER MOD Set 2.2: A 107 THR OG1 : rot -89:sc= 1.24 USER MOD Set 3.1: A 5 ASN : amide:sc= 0.42 K(o=0.44,f=-1.4) USER MOD Set 3.2: A 44 GLN : amide:sc= 0.0174 X(o=0.44,f=0.4) USER MOD Set 4.1: A 40 LYS NZ :NH3+ -174:sc= 0.309 (180deg=-0.00234) USER MOD Set 4.2: A 53 THR OG1 : rot -175:sc= 0.305 USER MOD Set 5.1: A 13 ASN : amide:sc= 0.808 K(o=1.1,f=-1.8) USER MOD Set 5.2: A 34 ASN : amide:sc= 0.25 K(o=1.1,f=-3.6!) USER MOD Single : A 7 TYR OH : rot 14:sc= 1.22 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0.378 X(o=0.38,f=-0.12) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0.658 K(o=0.66,f=-3!) USER MOD Single : A 31 LYS NZ :NH3+ -118:sc= 0.598 (180deg=0.155) USER MOD Single : A 37 LYS NZ :NH3+ 175:sc= 0.807 (180deg=0.786) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl 139:sc= -0.123 (180deg=-3.23) USER MOD Single : A 55 SER OG : rot 100:sc=-0.00564 USER MOD Single : A 56 THR OG1 : rot 55:sc= 0.306 USER MOD Single : A 59 ASN : amide:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : A 60 TYR OH : rot 39:sc= 1.28 USER MOD Single : A 62 MET CE :methyl 156:sc= -0.0467 (180deg=-0.148) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 CYS SG : rot 130:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -136:sc= 1.07 USER MOD Single : A 85 THR OG1 : rot 103:sc= 1.19 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 CYS SG : rot -170:sc= -0.411 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -120:sc= -0.0917 (180deg=-1.64) USER MOD Single : A 108 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ -176:sc= 0.293 (180deg=0.286) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 19 N PRO A 1 3.525 -1.980 0.513 1.00 0.00 N ATOM 20 CA PRO A 1 4.940 -2.070 0.046 1.00 0.00 C ATOM 21 C PRO A 1 5.181 -2.503 -1.438 1.00 0.00 C ATOM 22 O PRO A 1 4.323 -3.093 -2.101 1.00 0.00 O ATOM 23 CB PRO A 1 5.502 -3.091 1.050 1.00 0.00 C ATOM 24 CG PRO A 1 4.348 -4.041 1.356 1.00 0.00 C ATOM 25 CD PRO A 1 3.126 -3.123 1.367 1.00 0.00 C ATOM 0 H2 PRO A 1 2.907 -1.935 -0.297 1.00 0.00 H new ATOM 0 H3 PRO A 1 3.398 -1.112 1.034 1.00 0.00 H new ATOM 0 HA PRO A 1 5.417 -1.090 0.027 1.00 0.00 H new ATOM 0 HB2 PRO A 1 6.351 -3.629 0.629 1.00 0.00 H new ATOM 0 HB3 PRO A 1 5.854 -2.597 1.956 1.00 0.00 H new ATOM 0 HG2 PRO A 1 4.258 -4.821 0.599 1.00 0.00 H new ATOM 0 HG3 PRO A 1 4.483 -4.541 2.315 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.245 -3.628 0.971 1.00 0.00 H new ATOM 0 HD3 PRO A 1 2.880 -2.798 2.378 1.00 0.00 H new ATOM 33 N VAL A 2 6.409 -2.236 -1.921 1.00 0.00 N ATOM 34 CA VAL A 2 6.889 -2.676 -3.272 1.00 0.00 C ATOM 35 C VAL A 2 7.971 -3.818 -3.191 1.00 0.00 C ATOM 36 O VAL A 2 8.412 -4.245 -2.117 1.00 0.00 O ATOM 37 CB VAL A 2 7.331 -1.444 -4.149 1.00 0.00 C ATOM 38 CG1 VAL A 2 6.173 -0.480 -4.486 1.00 0.00 C ATOM 39 CG2 VAL A 2 8.546 -0.656 -3.605 1.00 0.00 C ATOM 0 H VAL A 2 7.107 -1.710 -1.396 1.00 0.00 H new ATOM 0 HA VAL A 2 6.045 -3.133 -3.788 1.00 0.00 H new ATOM 0 HB VAL A 2 7.660 -1.916 -5.075 1.00 0.00 H new ATOM 0 HG11 VAL A 2 6.550 0.344 -5.092 1.00 0.00 H new ATOM 0 HG12 VAL A 2 5.403 -1.016 -5.042 1.00 0.00 H new ATOM 0 HG13 VAL A 2 5.747 -0.087 -3.563 1.00 0.00 H new ATOM 0 HG21 VAL A 2 8.773 0.172 -4.277 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.313 -0.266 -2.614 1.00 0.00 H new ATOM 0 HG23 VAL A 2 9.409 -1.318 -3.540 1.00 0.00 H new ATOM 49 N ASP A 3 8.385 -4.337 -4.364 1.00 0.00 N ATOM 50 CA ASP A 3 9.277 -5.521 -4.477 1.00 0.00 C ATOM 51 C ASP A 3 10.785 -5.189 -4.206 1.00 0.00 C ATOM 52 O ASP A 3 11.530 -4.852 -5.134 1.00 0.00 O ATOM 53 CB ASP A 3 9.011 -6.094 -5.900 1.00 0.00 C ATOM 54 CG ASP A 3 9.765 -7.370 -6.275 1.00 0.00 C ATOM 55 OD1 ASP A 3 9.230 -8.470 -6.370 1.00 0.00 O ATOM 56 OD2 ASP A 3 11.092 -7.132 -6.505 1.00 0.00 O ATOM 0 H ASP A 3 8.112 -3.949 -5.267 1.00 0.00 H new ATOM 0 HA ASP A 3 9.056 -6.261 -3.708 1.00 0.00 H new ATOM 0 HB2 ASP A 3 7.943 -6.289 -5.995 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.260 -5.324 -6.630 1.00 0.00 H new ATOM 62 N PHE A 4 11.251 -5.422 -2.968 1.00 0.00 N ATOM 63 CA PHE A 4 12.714 -5.377 -2.634 1.00 0.00 C ATOM 64 C PHE A 4 13.567 -6.640 -3.050 1.00 0.00 C ATOM 65 O PHE A 4 14.784 -6.639 -2.851 1.00 0.00 O ATOM 66 CB PHE A 4 12.891 -5.011 -1.125 1.00 0.00 C ATOM 67 CG PHE A 4 12.594 -3.562 -0.663 1.00 0.00 C ATOM 68 CD1 PHE A 4 11.314 -3.005 -0.771 1.00 0.00 C ATOM 69 CD2 PHE A 4 13.607 -2.806 -0.059 1.00 0.00 C ATOM 70 CE1 PHE A 4 11.055 -1.719 -0.307 1.00 0.00 C ATOM 71 CE2 PHE A 4 13.342 -1.526 0.427 1.00 0.00 C ATOM 72 CZ PHE A 4 12.066 -0.988 0.306 1.00 0.00 C ATOM 0 H PHE A 4 10.651 -5.644 -2.174 1.00 0.00 H new ATOM 0 HA PHE A 4 13.136 -4.595 -3.265 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.251 -5.678 -0.547 1.00 0.00 H new ATOM 0 HB3 PHE A 4 13.921 -5.240 -0.850 1.00 0.00 H new ATOM 0 HD1 PHE A 4 10.518 -3.581 -1.220 1.00 0.00 H new ATOM 0 HD2 PHE A 4 14.601 -3.218 0.031 1.00 0.00 H new ATOM 0 HE1 PHE A 4 10.071 -1.290 -0.423 1.00 0.00 H new ATOM 0 HE2 PHE A 4 14.128 -0.953 0.897 1.00 0.00 H new ATOM 0 HZ PHE A 4 11.860 0.000 0.689 1.00 0.00 H new ATOM 82 N ASN A 5 12.969 -7.679 -3.665 1.00 0.00 N ATOM 83 CA ASN A 5 13.642 -8.921 -4.127 1.00 0.00 C ATOM 84 C ASN A 5 14.768 -8.688 -5.186 1.00 0.00 C ATOM 85 O ASN A 5 14.479 -8.240 -6.301 1.00 0.00 O ATOM 86 CB ASN A 5 12.534 -9.833 -4.743 1.00 0.00 C ATOM 87 CG ASN A 5 11.346 -10.196 -3.842 1.00 0.00 C ATOM 88 OD1 ASN A 5 10.466 -9.385 -3.566 1.00 0.00 O ATOM 89 ND2 ASN A 5 11.325 -11.384 -3.307 1.00 0.00 N ATOM 0 H ASN A 5 11.968 -7.682 -3.863 1.00 0.00 H new ATOM 0 HA ASN A 5 14.140 -9.373 -3.269 1.00 0.00 H new ATOM 0 HB2 ASN A 5 12.145 -9.338 -5.633 1.00 0.00 H new ATOM 0 HB3 ASN A 5 13.004 -10.760 -5.073 1.00 0.00 H new ATOM 0 HD21 ASN A 5 10.579 -11.639 -2.660 1.00 0.00 H new ATOM 0 HD22 ASN A 5 12.055 -12.059 -3.535 1.00 0.00 H new ATOM 96 N GLY A 6 16.034 -9.007 -4.860 1.00 0.00 N ATOM 97 CA GLY A 6 17.140 -8.855 -5.838 1.00 0.00 C ATOM 98 C GLY A 6 18.571 -8.864 -5.272 1.00 0.00 C ATOM 99 O GLY A 6 18.811 -8.925 -4.062 1.00 0.00 O ATOM 0 H GLY A 6 16.319 -9.365 -3.948 1.00 0.00 H new ATOM 0 HA2 GLY A 6 17.059 -9.658 -6.570 1.00 0.00 H new ATOM 0 HA3 GLY A 6 16.993 -7.918 -6.375 1.00 0.00 H new ATOM 103 N TYR A 7 19.526 -8.766 -6.206 1.00 0.00 N ATOM 104 CA TYR A 7 20.960 -8.540 -5.887 1.00 0.00 C ATOM 105 C TYR A 7 21.325 -7.066 -6.257 1.00 0.00 C ATOM 106 O TYR A 7 21.185 -6.640 -7.410 1.00 0.00 O ATOM 107 CB TYR A 7 21.811 -9.594 -6.652 1.00 0.00 C ATOM 108 CG TYR A 7 23.231 -9.803 -6.103 1.00 0.00 C ATOM 109 CD1 TYR A 7 24.284 -9.008 -6.565 1.00 0.00 C ATOM 110 CD2 TYR A 7 23.497 -10.810 -5.169 1.00 0.00 C ATOM 111 CE1 TYR A 7 25.581 -9.224 -6.112 1.00 0.00 C ATOM 112 CE2 TYR A 7 24.793 -11.011 -4.697 1.00 0.00 C ATOM 113 CZ TYR A 7 25.835 -10.214 -5.170 1.00 0.00 C ATOM 114 OH TYR A 7 27.102 -10.384 -4.676 1.00 0.00 O ATOM 0 H TYR A 7 19.337 -8.840 -7.206 1.00 0.00 H new ATOM 0 HA TYR A 7 21.168 -8.668 -4.825 1.00 0.00 H new ATOM 0 HB2 TYR A 7 21.285 -10.549 -6.631 1.00 0.00 H new ATOM 0 HB3 TYR A 7 21.882 -9.293 -7.697 1.00 0.00 H new ATOM 0 HD1 TYR A 7 24.089 -8.221 -7.278 1.00 0.00 H new ATOM 0 HD2 TYR A 7 22.693 -11.436 -4.811 1.00 0.00 H new ATOM 0 HE1 TYR A 7 26.392 -8.621 -6.493 1.00 0.00 H new ATOM 0 HE2 TYR A 7 24.990 -11.782 -3.967 1.00 0.00 H new ATOM 0 HH TYR A 7 27.651 -9.607 -4.910 1.00 0.00 H new ATOM 124 N TRP A 8 21.767 -6.296 -5.255 1.00 0.00 N ATOM 125 CA TRP A 8 21.949 -4.824 -5.359 1.00 0.00 C ATOM 126 C TRP A 8 23.452 -4.482 -5.087 1.00 0.00 C ATOM 127 O TRP A 8 23.993 -4.847 -4.039 1.00 0.00 O ATOM 128 CB TRP A 8 21.018 -4.120 -4.323 1.00 0.00 C ATOM 129 CG TRP A 8 19.503 -4.415 -4.361 1.00 0.00 C ATOM 130 CD1 TRP A 8 18.865 -5.520 -3.745 1.00 0.00 C ATOM 131 CD2 TRP A 8 18.476 -3.656 -4.896 1.00 0.00 C ATOM 132 NE1 TRP A 8 17.469 -5.488 -3.920 1.00 0.00 N ATOM 133 CE2 TRP A 8 17.250 -4.316 -4.620 1.00 0.00 C ATOM 134 CE3 TRP A 8 18.479 -2.403 -5.561 1.00 0.00 C ATOM 135 CZ2 TRP A 8 16.023 -3.731 -5.005 1.00 0.00 C ATOM 136 CZ3 TRP A 8 17.253 -1.841 -5.925 1.00 0.00 C ATOM 137 CH2 TRP A 8 16.046 -2.495 -5.655 1.00 0.00 C ATOM 0 H TRP A 8 22.013 -6.670 -4.338 1.00 0.00 H new ATOM 0 HA TRP A 8 21.684 -4.472 -6.356 1.00 0.00 H new ATOM 0 HB2 TRP A 8 21.379 -4.377 -3.327 1.00 0.00 H new ATOM 0 HB3 TRP A 8 21.147 -3.044 -4.441 1.00 0.00 H new ATOM 0 HD1 TRP A 8 19.388 -6.295 -3.205 1.00 0.00 H new ATOM 0 HE1 TRP A 8 16.780 -6.170 -3.604 1.00 0.00 H new ATOM 0 HE3 TRP A 8 19.407 -1.896 -5.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 15.087 -4.229 -4.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 17.237 -0.883 -6.424 1.00 0.00 H new ATOM 0 HH2 TRP A 8 15.115 -2.036 -5.955 1.00 0.00 H new ATOM 148 N LYS A 9 24.137 -3.775 -6.002 1.00 0.00 N ATOM 149 CA LYS A 9 25.574 -3.391 -5.827 1.00 0.00 C ATOM 150 C LYS A 9 25.744 -1.960 -5.235 1.00 0.00 C ATOM 151 O LYS A 9 25.061 -1.033 -5.684 1.00 0.00 O ATOM 152 CB LYS A 9 26.342 -3.569 -7.169 1.00 0.00 C ATOM 153 CG LYS A 9 26.019 -2.596 -8.334 1.00 0.00 C ATOM 154 CD LYS A 9 26.963 -2.792 -9.539 1.00 0.00 C ATOM 155 CE LYS A 9 26.587 -1.990 -10.798 1.00 0.00 C ATOM 156 NZ LYS A 9 26.863 -0.549 -10.644 1.00 0.00 N ATOM 0 H LYS A 9 23.729 -3.450 -6.878 1.00 0.00 H new ATOM 0 HA LYS A 9 26.013 -4.064 -5.091 1.00 0.00 H new ATOM 0 HB2 LYS A 9 27.408 -3.490 -6.955 1.00 0.00 H new ATOM 0 HB3 LYS A 9 26.162 -4.584 -7.523 1.00 0.00 H new ATOM 0 HG2 LYS A 9 24.988 -2.746 -8.655 1.00 0.00 H new ATOM 0 HG3 LYS A 9 26.096 -1.569 -7.978 1.00 0.00 H new ATOM 0 HD2 LYS A 9 27.973 -2.515 -9.238 1.00 0.00 H new ATOM 0 HD3 LYS A 9 26.986 -3.851 -9.795 1.00 0.00 H new ATOM 0 HE2 LYS A 9 27.144 -2.376 -11.652 1.00 0.00 H new ATOM 0 HE3 LYS A 9 25.529 -2.134 -11.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 26.594 -0.049 -11.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 26.312 -0.173 -9.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 27.877 -0.407 -10.462 1.00 0.00 H new ATOM 169 N MET A 10 26.664 -1.749 -4.270 1.00 0.00 N ATOM 170 CA MET A 10 26.877 -0.400 -3.674 1.00 0.00 C ATOM 171 C MET A 10 27.649 0.565 -4.625 1.00 0.00 C ATOM 172 O MET A 10 28.786 0.312 -5.036 1.00 0.00 O ATOM 173 CB MET A 10 27.550 -0.504 -2.286 1.00 0.00 C ATOM 174 CG MET A 10 27.355 0.757 -1.417 1.00 0.00 C ATOM 175 SD MET A 10 27.665 0.369 0.316 1.00 0.00 S ATOM 176 CE MET A 10 29.229 1.210 0.546 1.00 0.00 C ATOM 0 H MET A 10 27.266 -2.478 -3.887 1.00 0.00 H new ATOM 0 HA MET A 10 25.891 0.043 -3.534 1.00 0.00 H new ATOM 0 HB2 MET A 10 27.145 -1.367 -1.757 1.00 0.00 H new ATOM 0 HB3 MET A 10 28.617 -0.683 -2.420 1.00 0.00 H new ATOM 0 HG2 MET A 10 28.032 1.545 -1.748 1.00 0.00 H new ATOM 0 HG3 MET A 10 26.341 1.137 -1.537 1.00 0.00 H new ATOM 0 HE1 MET A 10 29.422 1.335 1.612 1.00 0.00 H new ATOM 0 HE2 MET A 10 30.029 0.619 0.099 1.00 0.00 H new ATOM 0 HE3 MET A 10 29.190 2.189 0.067 1.00 0.00 H new ATOM 186 N LEU A 11 27.001 1.693 -4.934 1.00 0.00 N ATOM 187 CA LEU A 11 27.623 2.818 -5.678 1.00 0.00 C ATOM 188 C LEU A 11 28.524 3.718 -4.766 1.00 0.00 C ATOM 189 O LEU A 11 29.692 3.940 -5.095 1.00 0.00 O ATOM 190 CB LEU A 11 26.494 3.639 -6.376 1.00 0.00 C ATOM 191 CG LEU A 11 25.619 2.951 -7.458 1.00 0.00 C ATOM 192 CD1 LEU A 11 24.570 3.949 -7.977 1.00 0.00 C ATOM 193 CD2 LEU A 11 26.432 2.421 -8.652 1.00 0.00 C ATOM 0 H LEU A 11 26.028 1.862 -4.679 1.00 0.00 H new ATOM 0 HA LEU A 11 28.296 2.411 -6.433 1.00 0.00 H new ATOM 0 HB2 LEU A 11 25.825 4.006 -5.597 1.00 0.00 H new ATOM 0 HB3 LEU A 11 26.958 4.512 -6.835 1.00 0.00 H new ATOM 0 HG LEU A 11 25.148 2.092 -6.980 1.00 0.00 H new ATOM 0 HD11 LEU A 11 23.955 3.468 -8.737 1.00 0.00 H new ATOM 0 HD12 LEU A 11 23.938 4.275 -7.151 1.00 0.00 H new ATOM 0 HD13 LEU A 11 25.073 4.813 -8.411 1.00 0.00 H new ATOM 0 HD21 LEU A 11 25.760 1.952 -9.371 1.00 0.00 H new ATOM 0 HD22 LEU A 11 26.956 3.248 -9.131 1.00 0.00 H new ATOM 0 HD23 LEU A 11 27.157 1.687 -8.301 1.00 0.00 H new ATOM 205 N SER A 12 27.988 4.248 -3.648 1.00 0.00 N ATOM 206 CA SER A 12 28.692 5.230 -2.780 1.00 0.00 C ATOM 207 C SER A 12 28.368 5.033 -1.264 1.00 0.00 C ATOM 208 O SER A 12 27.270 4.601 -0.889 1.00 0.00 O ATOM 209 CB SER A 12 28.328 6.662 -3.262 1.00 0.00 C ATOM 210 OG SER A 12 26.940 6.962 -3.079 1.00 0.00 O ATOM 0 H SER A 12 27.053 4.010 -3.316 1.00 0.00 H new ATOM 0 HA SER A 12 29.767 5.071 -2.870 1.00 0.00 H new ATOM 0 HB2 SER A 12 28.929 7.390 -2.717 1.00 0.00 H new ATOM 0 HB3 SER A 12 28.583 6.763 -4.317 1.00 0.00 H new ATOM 0 HG SER A 12 26.758 7.872 -3.394 1.00 0.00 H new ATOM 216 N ASN A 13 29.320 5.414 -0.390 1.00 0.00 N ATOM 217 CA ASN A 13 29.039 5.689 1.048 1.00 0.00 C ATOM 218 C ASN A 13 29.469 7.140 1.432 1.00 0.00 C ATOM 219 O ASN A 13 30.572 7.592 1.108 1.00 0.00 O ATOM 220 CB ASN A 13 29.635 4.611 1.994 1.00 0.00 C ATOM 221 CG ASN A 13 31.156 4.464 2.097 1.00 0.00 C ATOM 222 OD1 ASN A 13 31.792 5.059 2.956 1.00 0.00 O ATOM 223 ND2 ASN A 13 31.778 3.654 1.277 1.00 0.00 N ATOM 0 H ASN A 13 30.298 5.541 -0.649 1.00 0.00 H new ATOM 0 HA ASN A 13 27.960 5.624 1.187 1.00 0.00 H new ATOM 0 HB2 ASN A 13 29.256 4.809 2.997 1.00 0.00 H new ATOM 0 HB3 ASN A 13 29.232 3.646 1.686 1.00 0.00 H new ATOM 0 HD21 ASN A 13 32.786 3.523 1.357 1.00 0.00 H new ATOM 0 HD22 ASN A 13 31.254 3.155 0.558 1.00 0.00 H new ATOM 230 N GLU A 14 28.586 7.856 2.144 1.00 0.00 N ATOM 231 CA GLU A 14 28.822 9.253 2.587 1.00 0.00 C ATOM 232 C GLU A 14 28.615 9.301 4.133 1.00 0.00 C ATOM 233 O GLU A 14 27.527 9.011 4.643 1.00 0.00 O ATOM 234 CB GLU A 14 27.868 10.164 1.768 1.00 0.00 C ATOM 235 CG GLU A 14 28.008 11.684 2.023 1.00 0.00 C ATOM 236 CD GLU A 14 27.088 12.531 1.144 1.00 0.00 C ATOM 237 OE1 GLU A 14 25.951 12.867 1.461 1.00 0.00 O ATOM 238 OE2 GLU A 14 27.675 12.873 -0.037 1.00 0.00 O ATOM 0 H GLU A 14 27.681 7.487 2.434 1.00 0.00 H new ATOM 0 HA GLU A 14 29.834 9.614 2.403 1.00 0.00 H new ATOM 0 HB2 GLU A 14 28.036 9.975 0.708 1.00 0.00 H new ATOM 0 HB3 GLU A 14 26.841 9.871 1.985 1.00 0.00 H new ATOM 0 HG2 GLU A 14 27.790 11.891 3.071 1.00 0.00 H new ATOM 0 HG3 GLU A 14 29.042 11.981 1.847 1.00 0.00 H new ATOM 246 N ASN A 15 29.684 9.648 4.876 1.00 0.00 N ATOM 247 CA ASN A 15 29.699 9.660 6.376 1.00 0.00 C ATOM 248 C ASN A 15 29.625 8.262 7.107 1.00 0.00 C ATOM 249 O ASN A 15 29.145 8.169 8.242 1.00 0.00 O ATOM 250 CB ASN A 15 28.720 10.762 6.894 1.00 0.00 C ATOM 251 CG ASN A 15 29.030 11.324 8.280 1.00 0.00 C ATOM 252 OD1 ASN A 15 30.161 11.678 8.593 1.00 0.00 O ATOM 253 ND2 ASN A 15 28.049 11.461 9.136 1.00 0.00 N ATOM 0 H ASN A 15 30.572 9.931 4.463 1.00 0.00 H new ATOM 0 HA ASN A 15 30.708 9.937 6.680 1.00 0.00 H new ATOM 0 HB2 ASN A 15 28.719 11.586 6.180 1.00 0.00 H new ATOM 0 HB3 ASN A 15 27.711 10.349 6.907 1.00 0.00 H new ATOM 0 HD21 ASN A 15 28.228 11.860 10.057 1.00 0.00 H new ATOM 0 HD22 ASN A 15 27.106 11.168 8.882 1.00 0.00 H new ATOM 260 N PHE A 16 30.180 7.186 6.507 1.00 0.00 N ATOM 261 CA PHE A 16 30.264 5.840 7.154 1.00 0.00 C ATOM 262 C PHE A 16 31.298 5.726 8.326 1.00 0.00 C ATOM 263 O PHE A 16 30.933 5.190 9.379 1.00 0.00 O ATOM 264 CB PHE A 16 30.419 4.763 6.042 1.00 0.00 C ATOM 265 CG PHE A 16 30.189 3.268 6.365 1.00 0.00 C ATOM 266 CD1 PHE A 16 29.521 2.808 7.510 1.00 0.00 C ATOM 267 CD2 PHE A 16 30.626 2.334 5.420 1.00 0.00 C ATOM 268 CE1 PHE A 16 29.331 1.444 7.718 1.00 0.00 C ATOM 269 CE2 PHE A 16 30.428 0.971 5.624 1.00 0.00 C ATOM 270 CZ PHE A 16 29.785 0.527 6.775 1.00 0.00 C ATOM 0 H PHE A 16 30.581 7.215 5.570 1.00 0.00 H new ATOM 0 HA PHE A 16 29.329 5.661 7.685 1.00 0.00 H new ATOM 0 HB2 PHE A 16 29.733 5.029 5.238 1.00 0.00 H new ATOM 0 HB3 PHE A 16 31.429 4.855 5.642 1.00 0.00 H new ATOM 0 HD1 PHE A 16 29.151 3.517 8.236 1.00 0.00 H new ATOM 0 HD2 PHE A 16 31.122 2.674 4.523 1.00 0.00 H new ATOM 0 HE1 PHE A 16 28.831 1.098 8.611 1.00 0.00 H new ATOM 0 HE2 PHE A 16 30.773 0.259 4.889 1.00 0.00 H new ATOM 0 HZ PHE A 16 29.638 -0.531 6.937 1.00 0.00 H new ATOM 280 N GLU A 17 32.526 6.284 8.208 1.00 0.00 N ATOM 281 CA GLU A 17 33.450 6.476 9.372 1.00 0.00 C ATOM 282 C GLU A 17 32.825 7.109 10.662 1.00 0.00 C ATOM 283 O GLU A 17 33.057 6.573 11.748 1.00 0.00 O ATOM 284 CB GLU A 17 34.720 7.286 8.977 1.00 0.00 C ATOM 285 CG GLU A 17 35.749 6.555 8.084 1.00 0.00 C ATOM 286 CD GLU A 17 37.179 7.071 8.220 1.00 0.00 C ATOM 287 OE1 GLU A 17 37.767 7.707 7.350 1.00 0.00 O ATOM 288 OE2 GLU A 17 37.740 6.731 9.418 1.00 0.00 O ATOM 0 H GLU A 17 32.908 6.612 7.321 1.00 0.00 H new ATOM 0 HA GLU A 17 33.707 5.451 9.639 1.00 0.00 H new ATOM 0 HB2 GLU A 17 34.401 8.192 8.461 1.00 0.00 H new ATOM 0 HB3 GLU A 17 35.223 7.601 9.891 1.00 0.00 H new ATOM 0 HG2 GLU A 17 35.734 5.493 8.328 1.00 0.00 H new ATOM 0 HG3 GLU A 17 35.439 6.648 7.043 1.00 0.00 H new ATOM 296 N GLU A 18 32.054 8.211 10.565 1.00 0.00 N ATOM 297 CA GLU A 18 31.378 8.818 11.747 1.00 0.00 C ATOM 298 C GLU A 18 30.188 7.990 12.350 1.00 0.00 C ATOM 299 O GLU A 18 30.068 7.936 13.576 1.00 0.00 O ATOM 300 CB GLU A 18 30.987 10.280 11.415 1.00 0.00 C ATOM 301 CG GLU A 18 30.844 11.177 12.670 1.00 0.00 C ATOM 302 CD GLU A 18 30.266 12.571 12.430 1.00 0.00 C ATOM 303 OE1 GLU A 18 29.430 12.834 11.567 1.00 0.00 O ATOM 304 OE2 GLU A 18 30.762 13.479 13.322 1.00 0.00 O ATOM 0 H GLU A 18 31.880 8.702 9.688 1.00 0.00 H new ATOM 0 HA GLU A 18 32.104 8.806 12.560 1.00 0.00 H new ATOM 0 HB2 GLU A 18 31.740 10.709 10.754 1.00 0.00 H new ATOM 0 HB3 GLU A 18 30.045 10.281 10.867 1.00 0.00 H new ATOM 0 HG2 GLU A 18 30.210 10.661 13.392 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.827 11.286 13.129 1.00 0.00 H new ATOM 312 N TYR A 19 29.330 7.330 11.539 1.00 0.00 N ATOM 313 CA TYR A 19 28.388 6.279 12.043 1.00 0.00 C ATOM 314 C TYR A 19 29.086 5.109 12.819 1.00 0.00 C ATOM 315 O TYR A 19 28.677 4.794 13.935 1.00 0.00 O ATOM 316 CB TYR A 19 27.506 5.808 10.851 1.00 0.00 C ATOM 317 CG TYR A 19 26.563 4.614 11.113 1.00 0.00 C ATOM 318 CD1 TYR A 19 25.390 4.775 11.854 1.00 0.00 C ATOM 319 CD2 TYR A 19 26.922 3.335 10.667 1.00 0.00 C ATOM 320 CE1 TYR A 19 24.594 3.670 12.154 1.00 0.00 C ATOM 321 CE2 TYR A 19 26.115 2.237 10.956 1.00 0.00 C ATOM 322 CZ TYR A 19 24.953 2.406 11.701 1.00 0.00 C ATOM 323 OH TYR A 19 24.160 1.329 11.993 1.00 0.00 O ATOM 0 H TYR A 19 29.263 7.499 10.535 1.00 0.00 H new ATOM 0 HA TYR A 19 27.749 6.718 12.809 1.00 0.00 H new ATOM 0 HB2 TYR A 19 26.901 6.653 10.521 1.00 0.00 H new ATOM 0 HB3 TYR A 19 28.165 5.545 10.023 1.00 0.00 H new ATOM 0 HD1 TYR A 19 25.099 5.757 12.195 1.00 0.00 H new ATOM 0 HD2 TYR A 19 27.829 3.200 10.096 1.00 0.00 H new ATOM 0 HE1 TYR A 19 23.696 3.797 12.740 1.00 0.00 H new ATOM 0 HE2 TYR A 19 26.392 1.255 10.602 1.00 0.00 H new ATOM 0 HH TYR A 19 24.551 0.520 11.602 1.00 0.00 H new ATOM 333 N LEU A 20 30.148 4.509 12.260 1.00 0.00 N ATOM 334 CA LEU A 20 31.024 3.555 12.995 1.00 0.00 C ATOM 335 C LEU A 20 31.728 4.133 14.279 1.00 0.00 C ATOM 336 O LEU A 20 31.703 3.473 15.320 1.00 0.00 O ATOM 337 CB LEU A 20 32.026 2.975 11.961 1.00 0.00 C ATOM 338 CG LEU A 20 31.463 2.085 10.819 1.00 0.00 C ATOM 339 CD1 LEU A 20 32.538 1.871 9.743 1.00 0.00 C ATOM 340 CD2 LEU A 20 30.955 0.719 11.307 1.00 0.00 C ATOM 0 H LEU A 20 30.431 4.663 11.292 1.00 0.00 H new ATOM 0 HA LEU A 20 30.399 2.770 13.421 1.00 0.00 H new ATOM 0 HB2 LEU A 20 32.554 3.811 11.503 1.00 0.00 H new ATOM 0 HB3 LEU A 20 32.767 2.390 12.506 1.00 0.00 H new ATOM 0 HG LEU A 20 30.606 2.618 10.407 1.00 0.00 H new ATOM 0 HD11 LEU A 20 32.136 1.246 8.946 1.00 0.00 H new ATOM 0 HD12 LEU A 20 32.838 2.835 9.332 1.00 0.00 H new ATOM 0 HD13 LEU A 20 33.404 1.380 10.187 1.00 0.00 H new ATOM 0 HD21 LEU A 20 30.576 0.148 10.460 1.00 0.00 H new ATOM 0 HD22 LEU A 20 31.774 0.173 11.775 1.00 0.00 H new ATOM 0 HD23 LEU A 20 30.155 0.866 12.033 1.00 0.00 H new ATOM 352 N ARG A 21 32.279 5.367 14.256 1.00 0.00 N ATOM 353 CA ARG A 21 32.677 6.122 15.490 1.00 0.00 C ATOM 354 C ARG A 21 31.565 6.234 16.599 1.00 0.00 C ATOM 355 O ARG A 21 31.809 5.874 17.752 1.00 0.00 O ATOM 356 CB ARG A 21 33.158 7.526 15.034 1.00 0.00 C ATOM 357 CG ARG A 21 33.903 8.376 16.094 1.00 0.00 C ATOM 358 CD ARG A 21 33.971 9.876 15.738 1.00 0.00 C ATOM 359 NE ARG A 21 32.660 10.537 15.987 1.00 0.00 N ATOM 360 CZ ARG A 21 32.418 11.838 15.849 1.00 0.00 C ATOM 361 NH1 ARG A 21 33.288 12.712 15.393 1.00 0.00 N ATOM 362 NH2 ARG A 21 31.232 12.273 16.174 1.00 0.00 N ATOM 0 H ARG A 21 32.464 5.875 13.391 1.00 0.00 H new ATOM 0 HA ARG A 21 33.468 5.557 15.983 1.00 0.00 H new ATOM 0 HB2 ARG A 21 33.815 7.399 14.174 1.00 0.00 H new ATOM 0 HB3 ARG A 21 32.290 8.090 14.692 1.00 0.00 H new ATOM 0 HG2 ARG A 21 33.405 8.261 17.057 1.00 0.00 H new ATOM 0 HG3 ARG A 21 34.916 7.991 16.211 1.00 0.00 H new ATOM 0 HD2 ARG A 21 34.747 10.361 16.331 1.00 0.00 H new ATOM 0 HD3 ARG A 21 34.250 9.994 14.691 1.00 0.00 H new ATOM 0 HE ARG A 21 31.886 9.945 16.287 1.00 0.00 H new ATOM 0 HH11 ARG A 21 34.221 12.406 15.117 1.00 0.00 H new ATOM 0 HH12 ARG A 21 33.030 13.696 15.315 1.00 0.00 H new ATOM 0 HH21 ARG A 21 30.527 11.622 16.520 1.00 0.00 H new ATOM 0 HH22 ARG A 21 31.009 13.264 16.082 1.00 0.00 H new ATOM 376 N ALA A 22 30.345 6.676 16.232 1.00 0.00 N ATOM 377 CA ALA A 22 29.131 6.550 17.082 1.00 0.00 C ATOM 378 C ALA A 22 28.705 5.123 17.563 1.00 0.00 C ATOM 379 O ALA A 22 28.059 5.023 18.609 1.00 0.00 O ATOM 380 CB ALA A 22 27.993 7.204 16.278 1.00 0.00 C ATOM 0 H ALA A 22 30.168 7.132 15.337 1.00 0.00 H new ATOM 0 HA ALA A 22 29.366 7.035 18.030 1.00 0.00 H new ATOM 0 HB1 ALA A 22 27.065 7.146 16.847 1.00 0.00 H new ATOM 0 HB2 ALA A 22 28.237 8.249 16.086 1.00 0.00 H new ATOM 0 HB3 ALA A 22 27.870 6.680 15.330 1.00 0.00 H new ATOM 386 N LEU A 23 29.081 4.038 16.855 1.00 0.00 N ATOM 387 CA LEU A 23 28.952 2.650 17.383 1.00 0.00 C ATOM 388 C LEU A 23 30.167 2.128 18.238 1.00 0.00 C ATOM 389 O LEU A 23 30.209 0.940 18.578 1.00 0.00 O ATOM 390 CB LEU A 23 28.648 1.696 16.193 1.00 0.00 C ATOM 391 CG LEU A 23 27.353 1.939 15.369 1.00 0.00 C ATOM 392 CD1 LEU A 23 27.282 0.945 14.207 1.00 0.00 C ATOM 393 CD2 LEU A 23 26.063 1.847 16.191 1.00 0.00 C ATOM 0 H LEU A 23 29.477 4.089 15.916 1.00 0.00 H new ATOM 0 HA LEU A 23 28.130 2.667 18.098 1.00 0.00 H new ATOM 0 HB2 LEU A 23 29.493 1.741 15.506 1.00 0.00 H new ATOM 0 HB3 LEU A 23 28.608 0.679 16.583 1.00 0.00 H new ATOM 0 HG LEU A 23 27.418 2.964 15.005 1.00 0.00 H new ATOM 0 HD11 LEU A 23 26.372 1.120 13.633 1.00 0.00 H new ATOM 0 HD12 LEU A 23 28.150 1.078 13.561 1.00 0.00 H new ATOM 0 HD13 LEU A 23 27.274 -0.072 14.598 1.00 0.00 H new ATOM 0 HD21 LEU A 23 25.205 2.029 15.543 1.00 0.00 H new ATOM 0 HD22 LEU A 23 25.982 0.853 16.631 1.00 0.00 H new ATOM 0 HD23 LEU A 23 26.083 2.594 16.985 1.00 0.00 H new ATOM 405 N ASP A 24 31.148 2.987 18.599 1.00 0.00 N ATOM 406 CA ASP A 24 32.401 2.597 19.321 1.00 0.00 C ATOM 407 C ASP A 24 33.395 1.695 18.497 1.00 0.00 C ATOM 408 O ASP A 24 34.013 0.774 19.038 1.00 0.00 O ATOM 409 CB ASP A 24 32.102 2.080 20.764 1.00 0.00 C ATOM 410 CG ASP A 24 31.389 3.065 21.691 1.00 0.00 C ATOM 411 OD1 ASP A 24 30.200 2.995 21.981 1.00 0.00 O ATOM 412 OD2 ASP A 24 32.225 4.033 22.159 1.00 0.00 O ATOM 0 H ASP A 24 31.100 3.986 18.398 1.00 0.00 H new ATOM 0 HA ASP A 24 32.970 3.519 19.437 1.00 0.00 H new ATOM 0 HB2 ASP A 24 31.495 1.178 20.688 1.00 0.00 H new ATOM 0 HB3 ASP A 24 33.045 1.791 21.228 1.00 0.00 H new ATOM 418 N VAL A 25 33.593 1.996 17.197 1.00 0.00 N ATOM 419 CA VAL A 25 34.486 1.201 16.293 1.00 0.00 C ATOM 420 C VAL A 25 35.873 1.925 16.134 1.00 0.00 C ATOM 421 O VAL A 25 35.954 3.154 16.021 1.00 0.00 O ATOM 422 CB VAL A 25 33.746 0.946 14.931 1.00 0.00 C ATOM 423 CG1 VAL A 25 34.573 0.194 13.864 1.00 0.00 C ATOM 424 CG2 VAL A 25 32.413 0.165 15.063 1.00 0.00 C ATOM 0 H VAL A 25 33.147 2.789 16.736 1.00 0.00 H new ATOM 0 HA VAL A 25 34.704 0.224 16.724 1.00 0.00 H new ATOM 0 HB VAL A 25 33.565 1.971 14.607 1.00 0.00 H new ATOM 0 HG11 VAL A 25 33.974 0.068 12.962 1.00 0.00 H new ATOM 0 HG12 VAL A 25 35.469 0.768 13.627 1.00 0.00 H new ATOM 0 HG13 VAL A 25 34.860 -0.785 14.249 1.00 0.00 H new ATOM 0 HG21 VAL A 25 31.969 0.033 14.076 1.00 0.00 H new ATOM 0 HG22 VAL A 25 32.606 -0.811 15.507 1.00 0.00 H new ATOM 0 HG23 VAL A 25 31.726 0.723 15.698 1.00 0.00 H new ATOM 434 N ASN A 26 36.974 1.148 16.090 1.00 0.00 N ATOM 435 CA ASN A 26 38.359 1.694 15.945 1.00 0.00 C ATOM 436 C ASN A 26 38.698 2.345 14.555 1.00 0.00 C ATOM 437 O ASN A 26 38.067 2.044 13.538 1.00 0.00 O ATOM 438 CB ASN A 26 39.367 0.582 16.367 1.00 0.00 C ATOM 439 CG ASN A 26 39.572 -0.597 15.399 1.00 0.00 C ATOM 440 OD1 ASN A 26 40.135 -0.455 14.318 1.00 0.00 O ATOM 441 ND2 ASN A 26 39.150 -1.789 15.744 1.00 0.00 N ATOM 0 H ASN A 26 36.940 0.130 16.153 1.00 0.00 H new ATOM 0 HA ASN A 26 38.441 2.552 16.612 1.00 0.00 H new ATOM 0 HB2 ASN A 26 40.336 1.052 16.534 1.00 0.00 H new ATOM 0 HB3 ASN A 26 39.040 0.178 17.325 1.00 0.00 H new ATOM 0 HD21 ASN A 26 39.292 -2.581 15.117 1.00 0.00 H new ATOM 0 HD22 ASN A 26 38.680 -1.924 16.639 1.00 0.00 H new ATOM 448 N VAL A 27 39.744 3.198 14.510 1.00 0.00 N ATOM 449 CA VAL A 27 40.184 3.906 13.258 1.00 0.00 C ATOM 450 C VAL A 27 40.574 2.959 12.064 1.00 0.00 C ATOM 451 O VAL A 27 40.120 3.199 10.943 1.00 0.00 O ATOM 452 CB VAL A 27 41.273 4.993 13.585 1.00 0.00 C ATOM 453 CG1 VAL A 27 41.786 5.768 12.344 1.00 0.00 C ATOM 454 CG2 VAL A 27 40.793 6.077 14.583 1.00 0.00 C ATOM 0 H VAL A 27 40.312 3.423 15.326 1.00 0.00 H new ATOM 0 HA VAL A 27 39.304 4.424 12.876 1.00 0.00 H new ATOM 0 HB VAL A 27 42.070 4.389 14.018 1.00 0.00 H new ATOM 0 HG11 VAL A 27 42.534 6.498 12.654 1.00 0.00 H new ATOM 0 HG12 VAL A 27 42.233 5.069 11.638 1.00 0.00 H new ATOM 0 HG13 VAL A 27 40.952 6.283 11.866 1.00 0.00 H new ATOM 0 HG21 VAL A 27 41.598 6.791 14.759 1.00 0.00 H new ATOM 0 HG22 VAL A 27 39.930 6.598 14.167 1.00 0.00 H new ATOM 0 HG23 VAL A 27 40.513 5.606 15.525 1.00 0.00 H new ATOM 464 N ALA A 28 41.371 1.893 12.280 1.00 0.00 N ATOM 465 CA ALA A 28 41.664 0.878 11.226 1.00 0.00 C ATOM 466 C ALA A 28 40.421 0.137 10.618 1.00 0.00 C ATOM 467 O ALA A 28 40.288 0.084 9.392 1.00 0.00 O ATOM 468 CB ALA A 28 42.717 -0.081 11.811 1.00 0.00 C ATOM 0 H ALA A 28 41.827 1.705 13.173 1.00 0.00 H new ATOM 0 HA ALA A 28 42.046 1.399 10.348 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.964 -0.844 11.073 1.00 0.00 H new ATOM 0 HB2 ALA A 28 43.616 0.479 12.069 1.00 0.00 H new ATOM 0 HB3 ALA A 28 42.318 -0.558 12.706 1.00 0.00 H new ATOM 474 N LEU A 29 39.488 -0.365 11.451 1.00 0.00 N ATOM 475 CA LEU A 29 38.162 -0.879 10.988 1.00 0.00 C ATOM 476 C LEU A 29 37.239 0.195 10.300 1.00 0.00 C ATOM 477 O LEU A 29 36.690 -0.086 9.232 1.00 0.00 O ATOM 478 CB LEU A 29 37.488 -1.611 12.192 1.00 0.00 C ATOM 479 CG LEU A 29 36.528 -2.805 11.924 1.00 0.00 C ATOM 480 CD1 LEU A 29 35.326 -2.498 11.015 1.00 0.00 C ATOM 481 CD2 LEU A 29 37.286 -4.028 11.385 1.00 0.00 C ATOM 0 H LEU A 29 39.621 -0.430 12.460 1.00 0.00 H new ATOM 0 HA LEU A 29 38.328 -1.584 10.174 1.00 0.00 H new ATOM 0 HB2 LEU A 29 38.285 -1.973 12.842 1.00 0.00 H new ATOM 0 HB3 LEU A 29 36.930 -0.864 12.757 1.00 0.00 H new ATOM 0 HG LEU A 29 36.108 -3.024 12.906 1.00 0.00 H new ATOM 0 HD11 LEU A 29 34.722 -3.397 10.894 1.00 0.00 H new ATOM 0 HD12 LEU A 29 34.720 -1.712 11.466 1.00 0.00 H new ATOM 0 HD13 LEU A 29 35.683 -2.166 10.040 1.00 0.00 H new ATOM 0 HD21 LEU A 29 36.584 -4.843 11.209 1.00 0.00 H new ATOM 0 HD22 LEU A 29 37.780 -3.767 10.449 1.00 0.00 H new ATOM 0 HD23 LEU A 29 38.033 -4.343 12.114 1.00 0.00 H new ATOM 493 N ARG A 30 37.120 1.426 10.848 1.00 0.00 N ATOM 494 CA ARG A 30 36.546 2.606 10.125 1.00 0.00 C ATOM 495 C ARG A 30 37.138 2.879 8.695 1.00 0.00 C ATOM 496 O ARG A 30 36.368 2.973 7.736 1.00 0.00 O ATOM 497 CB ARG A 30 36.660 3.864 11.037 1.00 0.00 C ATOM 498 CG ARG A 30 35.733 3.928 12.279 1.00 0.00 C ATOM 499 CD ARG A 30 36.081 5.019 13.315 1.00 0.00 C ATOM 500 NE ARG A 30 35.960 6.385 12.744 1.00 0.00 N ATOM 501 CZ ARG A 30 36.476 7.493 13.268 1.00 0.00 C ATOM 502 NH1 ARG A 30 37.204 7.528 14.362 1.00 0.00 N ATOM 503 NH2 ARG A 30 36.228 8.620 12.659 1.00 0.00 N ATOM 0 H ARG A 30 37.416 1.639 11.801 1.00 0.00 H new ATOM 0 HA ARG A 30 35.502 2.363 9.927 1.00 0.00 H new ATOM 0 HB2 ARG A 30 37.691 3.939 11.382 1.00 0.00 H new ATOM 0 HB3 ARG A 30 36.464 4.744 10.424 1.00 0.00 H new ATOM 0 HG2 ARG A 30 34.710 4.088 11.939 1.00 0.00 H new ATOM 0 HG3 ARG A 30 35.755 2.959 12.777 1.00 0.00 H new ATOM 0 HD2 ARG A 30 35.419 4.926 14.176 1.00 0.00 H new ATOM 0 HD3 ARG A 30 37.098 4.865 13.676 1.00 0.00 H new ATOM 0 HE ARG A 30 35.436 6.482 11.874 1.00 0.00 H new ATOM 0 HH11 ARG A 30 37.406 6.666 14.868 1.00 0.00 H new ATOM 0 HH12 ARG A 30 37.567 8.417 14.705 1.00 0.00 H new ATOM 0 HH21 ARG A 30 35.657 8.628 11.814 1.00 0.00 H new ATOM 0 HH22 ARG A 30 36.605 9.493 13.028 1.00 0.00 H new ATOM 517 N LYS A 31 38.476 2.944 8.540 1.00 0.00 N ATOM 518 CA LYS A 31 39.162 2.943 7.211 1.00 0.00 C ATOM 519 C LYS A 31 38.807 1.738 6.277 1.00 0.00 C ATOM 520 O LYS A 31 38.364 1.969 5.151 1.00 0.00 O ATOM 521 CB LYS A 31 40.702 3.092 7.447 1.00 0.00 C ATOM 522 CG LYS A 31 41.300 4.521 7.405 1.00 0.00 C ATOM 523 CD LYS A 31 40.613 5.547 8.323 1.00 0.00 C ATOM 524 CE LYS A 31 41.355 6.888 8.416 1.00 0.00 C ATOM 525 NZ LYS A 31 40.473 7.913 9.012 1.00 0.00 N ATOM 0 H LYS A 31 39.121 2.999 9.328 1.00 0.00 H new ATOM 0 HA LYS A 31 38.784 3.797 6.650 1.00 0.00 H new ATOM 0 HB2 LYS A 31 40.936 2.658 8.419 1.00 0.00 H new ATOM 0 HB3 LYS A 31 41.216 2.491 6.697 1.00 0.00 H new ATOM 0 HG2 LYS A 31 42.354 4.464 7.676 1.00 0.00 H new ATOM 0 HG3 LYS A 31 41.253 4.887 6.379 1.00 0.00 H new ATOM 0 HD2 LYS A 31 39.601 5.726 7.959 1.00 0.00 H new ATOM 0 HD3 LYS A 31 40.522 5.123 9.323 1.00 0.00 H new ATOM 0 HE2 LYS A 31 42.255 6.774 9.021 1.00 0.00 H new ATOM 0 HE3 LYS A 31 41.676 7.205 7.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 40.317 8.678 8.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 39.561 7.482 9.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 40.920 8.301 9.867 1.00 0.00 H new ATOM 538 N ILE A 32 38.951 0.475 6.728 1.00 0.00 N ATOM 539 CA ILE A 32 38.598 -0.735 5.913 1.00 0.00 C ATOM 540 C ILE A 32 37.083 -0.772 5.483 1.00 0.00 C ATOM 541 O ILE A 32 36.804 -0.886 4.286 1.00 0.00 O ATOM 542 CB ILE A 32 39.111 -2.052 6.611 1.00 0.00 C ATOM 543 CG1 ILE A 32 40.649 -2.079 6.889 1.00 0.00 C ATOM 544 CG2 ILE A 32 38.752 -3.323 5.794 1.00 0.00 C ATOM 545 CD1 ILE A 32 41.083 -3.051 8.002 1.00 0.00 C ATOM 0 H ILE A 32 39.311 0.252 7.656 1.00 0.00 H new ATOM 0 HA ILE A 32 39.131 -0.665 4.965 1.00 0.00 H new ATOM 0 HB ILE A 32 38.593 -2.052 7.570 1.00 0.00 H new ATOM 0 HG12 ILE A 32 41.167 -2.348 5.968 1.00 0.00 H new ATOM 0 HG13 ILE A 32 40.974 -1.073 7.156 1.00 0.00 H new ATOM 0 HG21 ILE A 32 39.125 -4.206 6.313 1.00 0.00 H new ATOM 0 HG22 ILE A 32 37.669 -3.394 5.689 1.00 0.00 H new ATOM 0 HG23 ILE A 32 39.209 -3.262 4.806 1.00 0.00 H new ATOM 0 HD11 ILE A 32 42.165 -3.003 8.126 1.00 0.00 H new ATOM 0 HD12 ILE A 32 40.598 -2.773 8.938 1.00 0.00 H new ATOM 0 HD13 ILE A 32 40.794 -4.066 7.732 1.00 0.00 H new ATOM 557 N ALA A 33 36.118 -0.647 6.416 1.00 0.00 N ATOM 558 CA ALA A 33 34.669 -0.578 6.078 1.00 0.00 C ATOM 559 C ALA A 33 34.188 0.623 5.196 1.00 0.00 C ATOM 560 O ALA A 33 33.392 0.405 4.279 1.00 0.00 O ATOM 561 CB ALA A 33 33.905 -0.687 7.410 1.00 0.00 C ATOM 0 H ALA A 33 36.310 -0.591 7.416 1.00 0.00 H new ATOM 0 HA ALA A 33 34.453 -1.407 5.404 1.00 0.00 H new ATOM 0 HB1 ALA A 33 32.833 -0.642 7.219 1.00 0.00 H new ATOM 0 HB2 ALA A 33 34.148 -1.634 7.892 1.00 0.00 H new ATOM 0 HB3 ALA A 33 34.193 0.137 8.063 1.00 0.00 H new ATOM 567 N ASN A 34 34.690 1.855 5.411 1.00 0.00 N ATOM 568 CA ASN A 34 34.464 2.998 4.473 1.00 0.00 C ATOM 569 C ASN A 34 35.110 2.857 3.046 1.00 0.00 C ATOM 570 O ASN A 34 34.544 3.368 2.077 1.00 0.00 O ATOM 571 CB ASN A 34 34.910 4.291 5.217 1.00 0.00 C ATOM 572 CG ASN A 34 34.328 5.626 4.732 1.00 0.00 C ATOM 573 OD1 ASN A 34 33.525 6.267 5.403 1.00 0.00 O ATOM 574 ND2 ASN A 34 34.735 6.125 3.592 1.00 0.00 N ATOM 0 H ASN A 34 35.257 2.095 6.224 1.00 0.00 H new ATOM 0 HA ASN A 34 33.403 3.027 4.226 1.00 0.00 H new ATOM 0 HB2 ASN A 34 34.656 4.177 6.271 1.00 0.00 H new ATOM 0 HB3 ASN A 34 35.996 4.356 5.156 1.00 0.00 H new ATOM 0 HD21 ASN A 34 34.385 7.030 3.277 1.00 0.00 H new ATOM 0 HD22 ASN A 34 35.402 5.609 3.019 1.00 0.00 H new ATOM 581 N LEU A 35 36.266 2.185 2.900 1.00 0.00 N ATOM 582 CA LEU A 35 36.841 1.829 1.565 1.00 0.00 C ATOM 583 C LEU A 35 36.109 0.684 0.780 1.00 0.00 C ATOM 584 O LEU A 35 36.127 0.694 -0.454 1.00 0.00 O ATOM 585 CB LEU A 35 38.351 1.493 1.750 1.00 0.00 C ATOM 586 CG LEU A 35 39.296 2.666 2.133 1.00 0.00 C ATOM 587 CD1 LEU A 35 40.665 2.125 2.582 1.00 0.00 C ATOM 588 CD2 LEU A 35 39.490 3.669 0.983 1.00 0.00 C ATOM 0 H LEU A 35 36.832 1.870 3.688 1.00 0.00 H new ATOM 0 HA LEU A 35 36.694 2.705 0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 35 38.435 0.726 2.520 1.00 0.00 H new ATOM 0 HB3 LEU A 35 38.716 1.054 0.821 1.00 0.00 H new ATOM 0 HG LEU A 35 38.818 3.198 2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 35 41.316 2.958 2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 35 40.534 1.477 3.449 1.00 0.00 H new ATOM 0 HD13 LEU A 35 41.116 1.556 1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 35 40.159 4.467 1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 35 39.923 3.158 0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 35 38.526 4.094 0.704 1.00 0.00 H new ATOM 600 N LEU A 36 35.488 -0.296 1.462 1.00 0.00 N ATOM 601 CA LEU A 36 34.774 -1.428 0.806 1.00 0.00 C ATOM 602 C LEU A 36 33.403 -1.019 0.172 1.00 0.00 C ATOM 603 O LEU A 36 32.611 -0.284 0.771 1.00 0.00 O ATOM 604 CB LEU A 36 34.574 -2.564 1.854 1.00 0.00 C ATOM 605 CG LEU A 36 35.843 -3.374 2.241 1.00 0.00 C ATOM 606 CD1 LEU A 36 35.630 -4.109 3.574 1.00 0.00 C ATOM 607 CD2 LEU A 36 36.234 -4.391 1.152 1.00 0.00 C ATOM 0 H LEU A 36 35.462 -0.334 2.481 1.00 0.00 H new ATOM 0 HA LEU A 36 35.391 -1.771 -0.025 1.00 0.00 H new ATOM 0 HB2 LEU A 36 34.159 -2.124 2.761 1.00 0.00 H new ATOM 0 HB3 LEU A 36 33.829 -3.259 1.467 1.00 0.00 H new ATOM 0 HG LEU A 36 36.657 -2.657 2.344 1.00 0.00 H new ATOM 0 HD11 LEU A 36 36.529 -4.670 3.828 1.00 0.00 H new ATOM 0 HD12 LEU A 36 35.421 -3.383 4.360 1.00 0.00 H new ATOM 0 HD13 LEU A 36 34.788 -4.795 3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 36 37.126 -4.934 1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 36 35.415 -5.094 1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 36 36.438 -3.865 0.219 1.00 0.00 H new ATOM 619 N LYS A 37 33.104 -1.566 -1.022 1.00 0.00 N ATOM 620 CA LYS A 37 31.772 -1.411 -1.675 1.00 0.00 C ATOM 621 C LYS A 37 31.020 -2.792 -1.681 1.00 0.00 C ATOM 622 O LYS A 37 31.133 -3.517 -2.677 1.00 0.00 O ATOM 623 CB LYS A 37 31.913 -0.754 -3.080 1.00 0.00 C ATOM 624 CG LYS A 37 32.534 0.665 -3.151 1.00 0.00 C ATOM 625 CD LYS A 37 31.726 1.778 -2.442 1.00 0.00 C ATOM 626 CE LYS A 37 32.374 3.172 -2.495 1.00 0.00 C ATOM 627 NZ LYS A 37 32.344 3.753 -3.852 1.00 0.00 N ATOM 0 H LYS A 37 33.765 -2.123 -1.563 1.00 0.00 H new ATOM 0 HA LYS A 37 31.152 -0.723 -1.100 1.00 0.00 H new ATOM 0 HB2 LYS A 37 32.516 -1.416 -3.701 1.00 0.00 H new ATOM 0 HB3 LYS A 37 30.922 -0.710 -3.531 1.00 0.00 H new ATOM 0 HG2 LYS A 37 33.532 0.629 -2.714 1.00 0.00 H new ATOM 0 HG3 LYS A 37 32.655 0.938 -4.199 1.00 0.00 H new ATOM 0 HD2 LYS A 37 30.736 1.834 -2.894 1.00 0.00 H new ATOM 0 HD3 LYS A 37 31.584 1.497 -1.398 1.00 0.00 H new ATOM 0 HE2 LYS A 37 31.855 3.838 -1.806 1.00 0.00 H new ATOM 0 HE3 LYS A 37 33.407 3.103 -2.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 32.714 4.724 -3.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 32.932 3.178 -4.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 31.365 3.766 -4.202 1.00 0.00 H new ATOM 640 N PRO A 38 30.260 -3.215 -0.621 1.00 0.00 N ATOM 641 CA PRO A 38 29.600 -4.550 -0.590 1.00 0.00 C ATOM 642 C PRO A 38 28.303 -4.684 -1.451 1.00 0.00 C ATOM 643 O PRO A 38 27.790 -3.721 -2.032 1.00 0.00 O ATOM 644 CB PRO A 38 29.364 -4.721 0.927 1.00 0.00 C ATOM 645 CG PRO A 38 29.152 -3.311 1.470 1.00 0.00 C ATOM 646 CD PRO A 38 30.134 -2.478 0.654 1.00 0.00 C ATOM 0 HA PRO A 38 30.204 -5.333 -1.049 1.00 0.00 H new ATOM 0 HB2 PRO A 38 28.495 -5.350 1.120 1.00 0.00 H new ATOM 0 HB3 PRO A 38 30.218 -5.201 1.405 1.00 0.00 H new ATOM 0 HG2 PRO A 38 28.125 -2.975 1.330 1.00 0.00 H new ATOM 0 HG3 PRO A 38 29.364 -3.254 2.538 1.00 0.00 H new ATOM 0 HD2 PRO A 38 29.762 -1.466 0.494 1.00 0.00 H new ATOM 0 HD3 PRO A 38 31.096 -2.388 1.159 1.00 0.00 H new ATOM 654 N ASP A 39 27.776 -5.914 -1.526 1.00 0.00 N ATOM 655 CA ASP A 39 26.528 -6.205 -2.288 1.00 0.00 C ATOM 656 C ASP A 39 25.358 -6.591 -1.333 1.00 0.00 C ATOM 657 O ASP A 39 25.503 -7.480 -0.493 1.00 0.00 O ATOM 658 CB ASP A 39 26.781 -7.335 -3.316 1.00 0.00 C ATOM 659 CG ASP A 39 27.843 -7.130 -4.402 1.00 0.00 C ATOM 660 OD1 ASP A 39 28.469 -8.065 -4.896 1.00 0.00 O ATOM 661 OD2 ASP A 39 27.989 -5.831 -4.790 1.00 0.00 O ATOM 0 H ASP A 39 28.185 -6.731 -1.073 1.00 0.00 H new ATOM 0 HA ASP A 39 26.239 -5.299 -2.821 1.00 0.00 H new ATOM 0 HB2 ASP A 39 27.050 -8.232 -2.759 1.00 0.00 H new ATOM 0 HB3 ASP A 39 25.835 -7.542 -3.816 1.00 0.00 H new ATOM 667 N LYS A 40 24.181 -5.965 -1.489 1.00 0.00 N ATOM 668 CA LYS A 40 22.951 -6.373 -0.759 1.00 0.00 C ATOM 669 C LYS A 40 22.165 -7.431 -1.584 1.00 0.00 C ATOM 670 O LYS A 40 21.557 -7.109 -2.606 1.00 0.00 O ATOM 671 CB LYS A 40 22.080 -5.137 -0.398 1.00 0.00 C ATOM 672 CG LYS A 40 22.438 -4.486 0.955 1.00 0.00 C ATOM 673 CD LYS A 40 21.512 -3.301 1.290 1.00 0.00 C ATOM 674 CE LYS A 40 21.862 -2.528 2.570 1.00 0.00 C ATOM 675 NZ LYS A 40 21.541 -3.279 3.802 1.00 0.00 N ATOM 0 H LYS A 40 24.046 -5.171 -2.114 1.00 0.00 H new ATOM 0 HA LYS A 40 23.237 -6.838 0.185 1.00 0.00 H new ATOM 0 HB2 LYS A 40 22.183 -4.391 -1.186 1.00 0.00 H new ATOM 0 HB3 LYS A 40 21.032 -5.438 -0.378 1.00 0.00 H new ATOM 0 HG2 LYS A 40 22.371 -5.233 1.746 1.00 0.00 H new ATOM 0 HG3 LYS A 40 23.472 -4.142 0.929 1.00 0.00 H new ATOM 0 HD2 LYS A 40 21.524 -2.605 0.451 1.00 0.00 H new ATOM 0 HD3 LYS A 40 20.492 -3.674 1.380 1.00 0.00 H new ATOM 0 HE2 LYS A 40 22.925 -2.288 2.564 1.00 0.00 H new ATOM 0 HE3 LYS A 40 21.321 -1.582 2.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 21.703 -2.672 4.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 20.544 -3.575 3.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 22.150 -4.120 3.865 1.00 0.00 H new ATOM 688 N GLU A 41 22.138 -8.689 -1.121 1.00 0.00 N ATOM 689 CA GLU A 41 21.145 -9.688 -1.598 1.00 0.00 C ATOM 690 C GLU A 41 19.910 -9.655 -0.650 1.00 0.00 C ATOM 691 O GLU A 41 19.997 -10.045 0.521 1.00 0.00 O ATOM 692 CB GLU A 41 21.800 -11.085 -1.707 1.00 0.00 C ATOM 693 CG GLU A 41 20.917 -12.118 -2.453 1.00 0.00 C ATOM 694 CD GLU A 41 21.560 -13.499 -2.531 1.00 0.00 C ATOM 695 OE1 GLU A 41 22.354 -13.823 -3.409 1.00 0.00 O ATOM 696 OE2 GLU A 41 21.157 -14.313 -1.512 1.00 0.00 O ATOM 0 H GLU A 41 22.786 -9.047 -0.419 1.00 0.00 H new ATOM 0 HA GLU A 41 20.797 -9.442 -2.601 1.00 0.00 H new ATOM 0 HB2 GLU A 41 22.755 -10.992 -2.225 1.00 0.00 H new ATOM 0 HB3 GLU A 41 22.015 -11.457 -0.705 1.00 0.00 H new ATOM 0 HG2 GLU A 41 19.955 -12.198 -1.948 1.00 0.00 H new ATOM 0 HG3 GLU A 41 20.718 -11.757 -3.462 1.00 0.00 H new ATOM 704 N ILE A 42 18.772 -9.168 -1.165 1.00 0.00 N ATOM 705 CA ILE A 42 17.516 -9.043 -0.373 1.00 0.00 C ATOM 706 C ILE A 42 16.518 -10.117 -0.905 1.00 0.00 C ATOM 707 O ILE A 42 16.080 -10.059 -2.059 1.00 0.00 O ATOM 708 CB ILE A 42 16.935 -7.584 -0.379 1.00 0.00 C ATOM 709 CG1 ILE A 42 17.943 -6.525 0.159 1.00 0.00 C ATOM 710 CG2 ILE A 42 15.611 -7.508 0.434 1.00 0.00 C ATOM 711 CD1 ILE A 42 17.535 -5.055 -0.032 1.00 0.00 C ATOM 0 H ILE A 42 18.684 -8.850 -2.130 1.00 0.00 H new ATOM 0 HA ILE A 42 17.717 -9.231 0.682 1.00 0.00 H new ATOM 0 HB ILE A 42 16.736 -7.344 -1.423 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.096 -6.705 1.223 1.00 0.00 H new ATOM 0 HG13 ILE A 42 18.903 -6.683 -0.332 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.230 -6.487 0.414 1.00 0.00 H new ATOM 0 HG22 ILE A 42 14.874 -8.179 -0.007 1.00 0.00 H new ATOM 0 HG23 ILE A 42 15.800 -7.804 1.466 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.309 -4.406 0.379 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.413 -4.846 -1.095 1.00 0.00 H new ATOM 0 HD13 ILE A 42 16.593 -4.869 0.485 1.00 0.00 H new ATOM 723 N VAL A 43 16.114 -11.056 -0.033 1.00 0.00 N ATOM 724 CA VAL A 43 14.960 -11.964 -0.304 1.00 0.00 C ATOM 725 C VAL A 43 13.740 -11.389 0.490 1.00 0.00 C ATOM 726 O VAL A 43 13.602 -11.621 1.695 1.00 0.00 O ATOM 727 CB VAL A 43 15.304 -13.460 0.025 1.00 0.00 C ATOM 728 CG1 VAL A 43 14.122 -14.425 -0.231 1.00 0.00 C ATOM 729 CG2 VAL A 43 16.520 -14.014 -0.757 1.00 0.00 C ATOM 0 H VAL A 43 16.562 -11.215 0.869 1.00 0.00 H new ATOM 0 HA VAL A 43 14.709 -11.991 -1.364 1.00 0.00 H new ATOM 0 HB VAL A 43 15.543 -13.425 1.088 1.00 0.00 H new ATOM 0 HG11 VAL A 43 14.424 -15.443 0.015 1.00 0.00 H new ATOM 0 HG12 VAL A 43 13.275 -14.137 0.392 1.00 0.00 H new ATOM 0 HG13 VAL A 43 13.833 -14.376 -1.281 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.692 -15.052 -0.474 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.320 -13.958 -1.827 1.00 0.00 H new ATOM 0 HG23 VAL A 43 17.404 -13.422 -0.522 1.00 0.00 H new ATOM 739 N GLN A 44 12.859 -10.635 -0.192 1.00 0.00 N ATOM 740 CA GLN A 44 11.594 -10.115 0.401 1.00 0.00 C ATOM 741 C GLN A 44 10.440 -11.142 0.166 1.00 0.00 C ATOM 742 O GLN A 44 9.780 -11.144 -0.877 1.00 0.00 O ATOM 743 CB GLN A 44 11.369 -8.699 -0.202 1.00 0.00 C ATOM 744 CG GLN A 44 10.156 -7.878 0.326 1.00 0.00 C ATOM 745 CD GLN A 44 8.750 -8.203 -0.200 1.00 0.00 C ATOM 746 OE1 GLN A 44 7.823 -8.454 0.564 1.00 0.00 O ATOM 747 NE2 GLN A 44 8.529 -8.173 -1.496 1.00 0.00 N ATOM 0 H GLN A 44 12.995 -10.365 -1.166 1.00 0.00 H new ATOM 0 HA GLN A 44 11.634 -10.004 1.485 1.00 0.00 H new ATOM 0 HB2 GLN A 44 12.272 -8.113 -0.031 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.259 -8.806 -1.281 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.134 -7.984 1.411 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.352 -6.827 0.113 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.293 -7.965 -2.139 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.593 -8.357 -1.858 1.00 0.00 H new ATOM 756 N ASP A 45 10.216 -12.038 1.138 1.00 0.00 N ATOM 757 CA ASP A 45 9.190 -13.114 1.033 1.00 0.00 C ATOM 758 C ASP A 45 7.884 -12.737 1.813 1.00 0.00 C ATOM 759 O ASP A 45 7.580 -13.323 2.855 1.00 0.00 O ATOM 760 CB ASP A 45 9.902 -14.416 1.504 1.00 0.00 C ATOM 761 CG ASP A 45 9.104 -15.699 1.283 1.00 0.00 C ATOM 762 OD1 ASP A 45 8.858 -16.165 0.175 1.00 0.00 O ATOM 763 OD2 ASP A 45 8.698 -16.269 2.451 1.00 0.00 O ATOM 0 H ASP A 45 10.731 -12.047 2.018 1.00 0.00 H new ATOM 0 HA ASP A 45 8.825 -13.261 0.016 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.854 -14.502 0.980 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.130 -14.325 2.566 1.00 0.00 H new ATOM 769 N GLY A 46 7.108 -11.754 1.306 1.00 0.00 N ATOM 770 CA GLY A 46 5.800 -11.348 1.909 1.00 0.00 C ATOM 771 C GLY A 46 5.786 -10.979 3.412 1.00 0.00 C ATOM 772 O GLY A 46 5.254 -11.734 4.224 1.00 0.00 O ATOM 0 H GLY A 46 7.359 -11.218 0.475 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.424 -10.491 1.350 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.093 -12.163 1.757 1.00 0.00 H new ATOM 776 N ASP A 47 6.438 -9.865 3.773 1.00 0.00 N ATOM 777 CA ASP A 47 6.825 -9.554 5.187 1.00 0.00 C ATOM 778 C ASP A 47 7.799 -10.523 5.959 1.00 0.00 C ATOM 779 O ASP A 47 8.001 -10.304 7.156 1.00 0.00 O ATOM 780 CB ASP A 47 5.642 -8.997 6.041 1.00 0.00 C ATOM 781 CG ASP A 47 4.690 -9.991 6.710 1.00 0.00 C ATOM 782 OD1 ASP A 47 3.504 -10.097 6.411 1.00 0.00 O ATOM 783 OD2 ASP A 47 5.307 -10.703 7.702 1.00 0.00 O ATOM 0 H ASP A 47 6.719 -9.146 3.107 1.00 0.00 H new ATOM 0 HA ASP A 47 7.525 -8.734 5.023 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.066 -8.367 6.823 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.046 -8.349 5.398 1.00 0.00 H new ATOM 789 N HIS A 48 8.421 -11.535 5.329 1.00 0.00 N ATOM 790 CA HIS A 48 9.630 -12.225 5.863 1.00 0.00 C ATOM 791 C HIS A 48 10.848 -11.780 4.999 1.00 0.00 C ATOM 792 O HIS A 48 10.982 -12.176 3.839 1.00 0.00 O ATOM 793 CB HIS A 48 9.382 -13.759 5.871 1.00 0.00 C ATOM 794 CG HIS A 48 10.525 -14.661 6.362 1.00 0.00 C ATOM 795 ND1 HIS A 48 10.668 -15.968 5.915 1.00 0.00 N ATOM 796 CD2 HIS A 48 11.555 -14.344 7.275 1.00 0.00 C ATOM 797 CE1 HIS A 48 11.799 -16.321 6.606 1.00 0.00 C ATOM 798 NE2 HIS A 48 12.401 -15.423 7.445 1.00 0.00 N ATOM 0 H HIS A 48 8.106 -11.905 4.432 1.00 0.00 H new ATOM 0 HA HIS A 48 9.845 -11.953 6.896 1.00 0.00 H new ATOM 0 HB2 HIS A 48 8.508 -13.955 6.493 1.00 0.00 H new ATOM 0 HB3 HIS A 48 9.126 -14.063 4.856 1.00 0.00 H new ATOM 0 HD2 HIS A 48 11.666 -13.391 7.771 1.00 0.00 H new ATOM 0 HE1 HIS A 48 12.216 -17.310 6.488 1.00 0.00 H new ATOM 0 HE2 HIS A 48 13.233 -15.522 8.027 1.00 0.00 H new ATOM 806 N MET A 49 11.721 -10.926 5.552 1.00 0.00 N ATOM 807 CA MET A 49 12.831 -10.310 4.791 1.00 0.00 C ATOM 808 C MET A 49 14.203 -10.891 5.239 1.00 0.00 C ATOM 809 O MET A 49 14.521 -10.952 6.433 1.00 0.00 O ATOM 810 CB MET A 49 12.756 -8.781 4.996 1.00 0.00 C ATOM 811 CG MET A 49 13.580 -7.972 3.970 1.00 0.00 C ATOM 812 SD MET A 49 12.567 -7.305 2.636 1.00 0.00 S ATOM 813 CE MET A 49 11.469 -6.176 3.510 1.00 0.00 C ATOM 0 H MET A 49 11.684 -10.641 6.531 1.00 0.00 H new ATOM 0 HA MET A 49 12.736 -10.538 3.729 1.00 0.00 H new ATOM 0 HB2 MET A 49 11.714 -8.467 4.939 1.00 0.00 H new ATOM 0 HB3 MET A 49 13.107 -8.541 6.000 1.00 0.00 H new ATOM 0 HG2 MET A 49 14.086 -7.153 4.481 1.00 0.00 H new ATOM 0 HG3 MET A 49 14.355 -8.611 3.547 1.00 0.00 H new ATOM 0 HE1 MET A 49 11.349 -5.262 2.929 1.00 0.00 H new ATOM 0 HE2 MET A 49 10.496 -6.648 3.648 1.00 0.00 H new ATOM 0 HE3 MET A 49 11.896 -5.934 4.483 1.00 0.00 H new ATOM 823 N ILE A 50 15.029 -11.274 4.255 1.00 0.00 N ATOM 824 CA ILE A 50 16.431 -11.713 4.504 1.00 0.00 C ATOM 825 C ILE A 50 17.358 -10.678 3.784 1.00 0.00 C ATOM 826 O ILE A 50 17.518 -10.740 2.561 1.00 0.00 O ATOM 827 CB ILE A 50 16.672 -13.214 4.103 1.00 0.00 C ATOM 828 CG1 ILE A 50 15.690 -14.228 4.774 1.00 0.00 C ATOM 829 CG2 ILE A 50 18.131 -13.641 4.408 1.00 0.00 C ATOM 830 CD1 ILE A 50 15.641 -15.624 4.125 1.00 0.00 C ATOM 0 H ILE A 50 14.759 -11.292 3.271 1.00 0.00 H new ATOM 0 HA ILE A 50 16.667 -11.715 5.568 1.00 0.00 H new ATOM 0 HB ILE A 50 16.478 -13.251 3.031 1.00 0.00 H new ATOM 0 HG12 ILE A 50 15.971 -14.342 5.821 1.00 0.00 H new ATOM 0 HG13 ILE A 50 14.687 -13.802 4.757 1.00 0.00 H new ATOM 0 HG21 ILE A 50 18.272 -14.683 4.122 1.00 0.00 H new ATOM 0 HG22 ILE A 50 18.820 -13.013 3.843 1.00 0.00 H new ATOM 0 HG23 ILE A 50 18.328 -13.528 5.474 1.00 0.00 H new ATOM 0 HD11 ILE A 50 14.931 -16.251 4.664 1.00 0.00 H new ATOM 0 HD12 ILE A 50 15.327 -15.531 3.085 1.00 0.00 H new ATOM 0 HD13 ILE A 50 16.631 -16.079 4.166 1.00 0.00 H new ATOM 842 N ILE A 51 17.960 -9.737 4.538 1.00 0.00 N ATOM 843 CA ILE A 51 18.893 -8.704 3.979 1.00 0.00 C ATOM 844 C ILE A 51 20.353 -9.201 4.246 1.00 0.00 C ATOM 845 O ILE A 51 20.781 -9.311 5.401 1.00 0.00 O ATOM 846 CB ILE A 51 18.627 -7.260 4.559 1.00 0.00 C ATOM 847 CG1 ILE A 51 17.175 -6.741 4.328 1.00 0.00 C ATOM 848 CG2 ILE A 51 19.642 -6.214 4.015 1.00 0.00 C ATOM 849 CD1 ILE A 51 16.789 -5.458 5.091 1.00 0.00 C ATOM 0 H ILE A 51 17.823 -9.660 5.546 1.00 0.00 H new ATOM 0 HA ILE A 51 18.726 -8.596 2.907 1.00 0.00 H new ATOM 0 HB ILE A 51 18.764 -7.373 5.634 1.00 0.00 H new ATOM 0 HG12 ILE A 51 17.040 -6.561 3.262 1.00 0.00 H new ATOM 0 HG13 ILE A 51 16.478 -7.531 4.609 1.00 0.00 H new ATOM 0 HG21 ILE A 51 19.420 -5.236 4.441 1.00 0.00 H new ATOM 0 HG22 ILE A 51 20.654 -6.510 4.293 1.00 0.00 H new ATOM 0 HG23 ILE A 51 19.565 -6.163 2.929 1.00 0.00 H new ATOM 0 HD11 ILE A 51 15.759 -5.190 4.855 1.00 0.00 H new ATOM 0 HD12 ILE A 51 16.882 -5.630 6.163 1.00 0.00 H new ATOM 0 HD13 ILE A 51 17.452 -4.645 4.795 1.00 0.00 H new ATOM 861 N ARG A 52 21.117 -9.471 3.176 1.00 0.00 N ATOM 862 CA ARG A 52 22.533 -9.918 3.285 1.00 0.00 C ATOM 863 C ARG A 52 23.465 -8.841 2.651 1.00 0.00 C ATOM 864 O ARG A 52 23.571 -8.779 1.424 1.00 0.00 O ATOM 865 CB ARG A 52 22.708 -11.289 2.569 1.00 0.00 C ATOM 866 CG ARG A 52 21.844 -12.462 3.085 1.00 0.00 C ATOM 867 CD ARG A 52 22.078 -13.758 2.291 1.00 0.00 C ATOM 868 NE ARG A 52 21.197 -14.822 2.831 1.00 0.00 N ATOM 869 CZ ARG A 52 20.883 -15.953 2.206 1.00 0.00 C ATOM 870 NH1 ARG A 52 21.311 -16.287 1.008 1.00 0.00 N ATOM 871 NH2 ARG A 52 20.097 -16.787 2.826 1.00 0.00 N ATOM 0 H ARG A 52 20.784 -9.390 2.215 1.00 0.00 H new ATOM 0 HA ARG A 52 22.802 -10.041 4.334 1.00 0.00 H new ATOM 0 HB2 ARG A 52 22.492 -11.149 1.510 1.00 0.00 H new ATOM 0 HB3 ARG A 52 23.756 -11.580 2.645 1.00 0.00 H new ATOM 0 HG2 ARG A 52 22.068 -12.639 4.137 1.00 0.00 H new ATOM 0 HG3 ARG A 52 20.791 -12.188 3.025 1.00 0.00 H new ATOM 0 HD2 ARG A 52 21.867 -13.595 1.234 1.00 0.00 H new ATOM 0 HD3 ARG A 52 23.122 -14.061 2.364 1.00 0.00 H new ATOM 0 HE ARG A 52 20.799 -14.674 3.758 1.00 0.00 H new ATOM 0 HH11 ARG A 52 21.928 -15.659 0.493 1.00 0.00 H new ATOM 0 HH12 ARG A 52 21.026 -17.174 0.594 1.00 0.00 H new ATOM 0 HH21 ARG A 52 19.746 -16.561 3.757 1.00 0.00 H new ATOM 0 HH22 ARG A 52 19.832 -17.666 2.381 1.00 0.00 H new ATOM 885 N THR A 53 24.160 -8.020 3.461 1.00 0.00 N ATOM 886 CA THR A 53 25.203 -7.072 2.953 1.00 0.00 C ATOM 887 C THR A 53 26.578 -7.818 2.919 1.00 0.00 C ATOM 888 O THR A 53 27.128 -8.211 3.955 1.00 0.00 O ATOM 889 CB THR A 53 25.246 -5.761 3.792 1.00 0.00 C ATOM 890 OG1 THR A 53 23.977 -5.123 3.811 1.00 0.00 O ATOM 891 CG2 THR A 53 26.211 -4.683 3.269 1.00 0.00 C ATOM 0 H THR A 53 24.027 -7.985 4.472 1.00 0.00 H new ATOM 0 HA THR A 53 24.954 -6.755 1.940 1.00 0.00 H new ATOM 0 HB THR A 53 25.578 -6.109 4.770 1.00 0.00 H new ATOM 0 HG1 THR A 53 24.050 -4.264 4.278 1.00 0.00 H new ATOM 0 HG21 THR A 53 26.169 -3.810 3.920 1.00 0.00 H new ATOM 0 HG22 THR A 53 27.227 -5.078 3.258 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.922 -4.396 2.258 1.00 0.00 H new ATOM 899 N LEU A 54 27.091 -8.046 1.703 1.00 0.00 N ATOM 900 CA LEU A 54 28.105 -9.097 1.434 1.00 0.00 C ATOM 901 C LEU A 54 29.486 -8.473 1.081 1.00 0.00 C ATOM 902 O LEU A 54 29.632 -7.771 0.073 1.00 0.00 O ATOM 903 CB LEU A 54 27.598 -9.980 0.258 1.00 0.00 C ATOM 904 CG LEU A 54 26.296 -10.795 0.491 1.00 0.00 C ATOM 905 CD1 LEU A 54 25.658 -11.167 -0.858 1.00 0.00 C ATOM 906 CD2 LEU A 54 26.539 -12.047 1.351 1.00 0.00 C ATOM 0 H LEU A 54 26.822 -7.514 0.875 1.00 0.00 H new ATOM 0 HA LEU A 54 28.241 -9.702 2.330 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.442 -9.334 -0.606 1.00 0.00 H new ATOM 0 HB3 LEU A 54 28.391 -10.679 -0.006 1.00 0.00 H new ATOM 0 HG LEU A 54 25.604 -10.163 1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 54 24.746 -11.738 -0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 54 25.417 -10.258 -1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 54 26.358 -11.769 -1.438 1.00 0.00 H new ATOM 0 HD21 LEU A 54 25.600 -12.584 1.486 1.00 0.00 H new ATOM 0 HD22 LEU A 54 27.259 -12.696 0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 54 26.930 -11.750 2.324 1.00 0.00 H new ATOM 918 N SER A 55 30.499 -8.776 1.902 1.00 0.00 N ATOM 919 CA SER A 55 31.910 -8.386 1.648 1.00 0.00 C ATOM 920 C SER A 55 32.856 -9.615 1.816 1.00 0.00 C ATOM 921 O SER A 55 32.620 -10.491 2.658 1.00 0.00 O ATOM 922 CB SER A 55 32.281 -7.286 2.673 1.00 0.00 C ATOM 923 OG SER A 55 33.611 -6.807 2.467 1.00 0.00 O ATOM 0 H SER A 55 30.373 -9.301 2.768 1.00 0.00 H new ATOM 0 HA SER A 55 32.022 -8.017 0.628 1.00 0.00 H new ATOM 0 HB2 SER A 55 31.578 -6.457 2.590 1.00 0.00 H new ATOM 0 HB3 SER A 55 32.188 -7.683 3.684 1.00 0.00 H new ATOM 0 HG SER A 55 33.581 -5.961 1.974 1.00 0.00 H new ATOM 929 N THR A 56 34.017 -9.615 1.132 1.00 0.00 N ATOM 930 CA THR A 56 35.150 -10.540 1.482 1.00 0.00 C ATOM 931 C THR A 56 35.995 -9.991 2.692 1.00 0.00 C ATOM 932 O THR A 56 37.177 -9.662 2.551 1.00 0.00 O ATOM 933 CB THR A 56 36.039 -10.852 0.236 1.00 0.00 C ATOM 934 OG1 THR A 56 36.675 -9.666 -0.234 1.00 0.00 O ATOM 935 CG2 THR A 56 35.327 -11.520 -0.950 1.00 0.00 C ATOM 0 H THR A 56 34.209 -8.999 0.342 1.00 0.00 H new ATOM 0 HA THR A 56 34.714 -11.485 1.806 1.00 0.00 H new ATOM 0 HB THR A 56 36.757 -11.583 0.608 1.00 0.00 H new ATOM 0 HG1 THR A 56 37.172 -9.249 0.500 1.00 0.00 H new ATOM 0 HG21 THR A 56 36.042 -11.688 -1.756 1.00 0.00 H new ATOM 0 HG22 THR A 56 34.907 -12.474 -0.632 1.00 0.00 H new ATOM 0 HG23 THR A 56 34.526 -10.872 -1.305 1.00 0.00 H new ATOM 943 N PHE A 57 35.349 -9.854 3.866 1.00 0.00 N ATOM 944 CA PHE A 57 35.930 -9.245 5.100 1.00 0.00 C ATOM 945 C PHE A 57 34.912 -9.414 6.280 1.00 0.00 C ATOM 946 O PHE A 57 35.199 -10.139 7.235 1.00 0.00 O ATOM 947 CB PHE A 57 36.404 -7.764 4.891 1.00 0.00 C ATOM 948 CG PHE A 57 37.080 -7.107 6.108 1.00 0.00 C ATOM 949 CD1 PHE A 57 38.376 -7.478 6.482 1.00 0.00 C ATOM 950 CD2 PHE A 57 36.392 -6.155 6.869 1.00 0.00 C ATOM 951 CE1 PHE A 57 38.968 -6.920 7.613 1.00 0.00 C ATOM 952 CE2 PHE A 57 36.984 -5.599 8.000 1.00 0.00 C ATOM 953 CZ PHE A 57 38.270 -5.986 8.373 1.00 0.00 C ATOM 0 H PHE A 57 34.387 -10.167 3.996 1.00 0.00 H new ATOM 0 HA PHE A 57 36.846 -9.778 5.357 1.00 0.00 H new ATOM 0 HB2 PHE A 57 37.100 -7.739 4.053 1.00 0.00 H new ATOM 0 HB3 PHE A 57 35.541 -7.161 4.607 1.00 0.00 H new ATOM 0 HD1 PHE A 57 38.920 -8.200 5.891 1.00 0.00 H new ATOM 0 HD2 PHE A 57 35.398 -5.850 6.578 1.00 0.00 H new ATOM 0 HE1 PHE A 57 39.967 -7.212 7.900 1.00 0.00 H new ATOM 0 HE2 PHE A 57 36.447 -4.869 8.588 1.00 0.00 H new ATOM 0 HZ PHE A 57 38.726 -5.560 9.254 1.00 0.00 H new ATOM 963 N ARG A 58 33.755 -8.716 6.238 1.00 0.00 N ATOM 964 CA ARG A 58 32.777 -8.674 7.358 1.00 0.00 C ATOM 965 C ARG A 58 31.333 -8.567 6.772 1.00 0.00 C ATOM 966 O ARG A 58 30.999 -7.601 6.079 1.00 0.00 O ATOM 967 CB ARG A 58 33.163 -7.484 8.278 1.00 0.00 C ATOM 968 CG ARG A 58 32.424 -7.425 9.637 1.00 0.00 C ATOM 969 CD ARG A 58 32.968 -6.341 10.589 1.00 0.00 C ATOM 970 NE ARG A 58 34.274 -6.746 11.182 1.00 0.00 N ATOM 971 CZ ARG A 58 34.545 -6.842 12.483 1.00 0.00 C ATOM 972 NH1 ARG A 58 33.702 -6.548 13.450 1.00 0.00 N ATOM 973 NH2 ARG A 58 35.732 -7.264 12.823 1.00 0.00 N ATOM 0 H ARG A 58 33.469 -8.165 5.429 1.00 0.00 H new ATOM 0 HA ARG A 58 32.798 -9.582 7.961 1.00 0.00 H new ATOM 0 HB2 ARG A 58 34.235 -7.528 8.469 1.00 0.00 H new ATOM 0 HB3 ARG A 58 32.973 -6.555 7.740 1.00 0.00 H new ATOM 0 HG2 ARG A 58 31.365 -7.241 9.457 1.00 0.00 H new ATOM 0 HG3 ARG A 58 32.500 -8.397 10.125 1.00 0.00 H new ATOM 0 HD2 ARG A 58 33.088 -5.404 10.045 1.00 0.00 H new ATOM 0 HD3 ARG A 58 32.246 -6.158 11.385 1.00 0.00 H new ATOM 0 HE ARG A 58 35.029 -6.970 10.533 1.00 0.00 H new ATOM 0 HH11 ARG A 58 32.763 -6.219 13.225 1.00 0.00 H new ATOM 0 HH12 ARG A 58 33.988 -6.649 14.424 1.00 0.00 H new ATOM 0 HH21 ARG A 58 36.413 -7.506 12.103 1.00 0.00 H new ATOM 0 HH22 ARG A 58 35.979 -7.352 13.809 1.00 0.00 H new ATOM 987 N ASN A 59 30.486 -9.573 7.042 1.00 0.00 N ATOM 988 CA ASN A 59 29.151 -9.718 6.386 1.00 0.00 C ATOM 989 C ASN A 59 28.006 -9.342 7.381 1.00 0.00 C ATOM 990 O ASN A 59 27.973 -9.849 8.508 1.00 0.00 O ATOM 991 CB ASN A 59 28.982 -11.183 5.883 1.00 0.00 C ATOM 992 CG ASN A 59 30.016 -11.677 4.858 1.00 0.00 C ATOM 993 OD1 ASN A 59 31.149 -12.003 5.190 1.00 0.00 O ATOM 994 ND2 ASN A 59 29.679 -11.771 3.596 1.00 0.00 N ATOM 0 H ASN A 59 30.694 -10.311 7.715 1.00 0.00 H new ATOM 0 HA ASN A 59 29.092 -9.038 5.536 1.00 0.00 H new ATOM 0 HB2 ASN A 59 29.013 -11.847 6.747 1.00 0.00 H new ATOM 0 HB3 ASN A 59 27.990 -11.281 5.442 1.00 0.00 H new ATOM 0 HD21 ASN A 59 30.355 -12.110 2.912 1.00 0.00 H new ATOM 0 HD22 ASN A 59 28.741 -11.505 3.298 1.00 0.00 H new ATOM 1001 N TYR A 60 27.055 -8.480 6.967 1.00 0.00 N ATOM 1002 CA TYR A 60 25.897 -8.093 7.831 1.00 0.00 C ATOM 1003 C TYR A 60 24.620 -8.882 7.393 1.00 0.00 C ATOM 1004 O TYR A 60 24.086 -8.651 6.301 1.00 0.00 O ATOM 1005 CB TYR A 60 25.724 -6.546 7.826 1.00 0.00 C ATOM 1006 CG TYR A 60 24.978 -5.960 9.041 1.00 0.00 C ATOM 1007 CD1 TYR A 60 23.579 -5.927 9.068 1.00 0.00 C ATOM 1008 CD2 TYR A 60 25.694 -5.414 10.113 1.00 0.00 C ATOM 1009 CE1 TYR A 60 22.910 -5.359 10.153 1.00 0.00 C ATOM 1010 CE2 TYR A 60 25.020 -4.852 11.198 1.00 0.00 C ATOM 1011 CZ TYR A 60 23.630 -4.827 11.217 1.00 0.00 C ATOM 1012 OH TYR A 60 22.973 -4.249 12.271 1.00 0.00 O ATOM 0 H TYR A 60 27.056 -8.036 6.049 1.00 0.00 H new ATOM 0 HA TYR A 60 26.082 -8.371 8.869 1.00 0.00 H new ATOM 0 HB2 TYR A 60 26.711 -6.087 7.771 1.00 0.00 H new ATOM 0 HB3 TYR A 60 25.189 -6.260 6.920 1.00 0.00 H new ATOM 0 HD1 TYR A 60 23.015 -6.343 8.246 1.00 0.00 H new ATOM 0 HD2 TYR A 60 26.774 -5.428 10.100 1.00 0.00 H new ATOM 0 HE1 TYR A 60 21.830 -5.333 10.166 1.00 0.00 H new ATOM 0 HE2 TYR A 60 25.579 -4.436 12.024 1.00 0.00 H new ATOM 0 HH TYR A 60 22.169 -4.768 12.480 1.00 0.00 H new ATOM 1022 N ILE A 61 24.161 -9.838 8.224 1.00 0.00 N ATOM 1023 CA ILE A 61 23.102 -10.824 7.830 1.00 0.00 C ATOM 1024 C ILE A 61 21.844 -10.609 8.735 1.00 0.00 C ATOM 1025 O ILE A 61 21.900 -10.811 9.952 1.00 0.00 O ATOM 1026 CB ILE A 61 23.637 -12.305 7.872 1.00 0.00 C ATOM 1027 CG1 ILE A 61 24.955 -12.585 7.082 1.00 0.00 C ATOM 1028 CG2 ILE A 61 22.557 -13.342 7.455 1.00 0.00 C ATOM 1029 CD1 ILE A 61 24.949 -12.287 5.570 1.00 0.00 C ATOM 0 H ILE A 61 24.500 -9.959 9.178 1.00 0.00 H new ATOM 0 HA ILE A 61 22.813 -10.650 6.793 1.00 0.00 H new ATOM 0 HB ILE A 61 23.888 -12.428 8.926 1.00 0.00 H new ATOM 0 HG12 ILE A 61 25.753 -11.999 7.538 1.00 0.00 H new ATOM 0 HG13 ILE A 61 25.213 -13.635 7.218 1.00 0.00 H new ATOM 0 HG21 ILE A 61 22.979 -14.346 7.502 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.706 -13.274 8.133 1.00 0.00 H new ATOM 0 HG23 ILE A 61 22.227 -13.134 6.437 1.00 0.00 H new ATOM 0 HD11 ILE A 61 25.925 -12.526 5.148 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.185 -12.893 5.083 1.00 0.00 H new ATOM 0 HD13 ILE A 61 24.733 -11.231 5.408 1.00 0.00 H new ATOM 1041 N MET A 62 20.702 -10.239 8.131 1.00 0.00 N ATOM 1042 CA MET A 62 19.458 -9.898 8.876 1.00 0.00 C ATOM 1043 C MET A 62 18.268 -10.748 8.333 1.00 0.00 C ATOM 1044 O MET A 62 17.637 -10.381 7.339 1.00 0.00 O ATOM 1045 CB MET A 62 19.207 -8.374 8.714 1.00 0.00 C ATOM 1046 CG MET A 62 20.117 -7.444 9.528 1.00 0.00 C ATOM 1047 SD MET A 62 19.441 -7.187 11.179 1.00 0.00 S ATOM 1048 CE MET A 62 18.550 -5.644 10.902 1.00 0.00 C ATOM 0 H MET A 62 20.606 -10.165 7.118 1.00 0.00 H new ATOM 0 HA MET A 62 19.557 -10.129 9.937 1.00 0.00 H new ATOM 0 HB2 MET A 62 19.314 -8.120 7.659 1.00 0.00 H new ATOM 0 HB3 MET A 62 18.173 -8.167 8.989 1.00 0.00 H new ATOM 0 HG2 MET A 62 21.116 -7.875 9.600 1.00 0.00 H new ATOM 0 HG3 MET A 62 20.219 -6.487 9.017 1.00 0.00 H new ATOM 0 HE1 MET A 62 17.750 -5.549 11.636 1.00 0.00 H new ATOM 0 HE2 MET A 62 19.237 -4.804 11.003 1.00 0.00 H new ATOM 0 HE3 MET A 62 18.123 -5.645 9.899 1.00 0.00 H new ATOM 1058 N ASP A 63 17.940 -11.862 9.010 1.00 0.00 N ATOM 1059 CA ASP A 63 16.805 -12.752 8.649 1.00 0.00 C ATOM 1060 C ASP A 63 15.592 -12.571 9.618 1.00 0.00 C ATOM 1061 O ASP A 63 15.642 -13.050 10.756 1.00 0.00 O ATOM 1062 CB ASP A 63 17.346 -14.209 8.583 1.00 0.00 C ATOM 1063 CG ASP A 63 18.153 -14.820 9.743 1.00 0.00 C ATOM 1064 OD1 ASP A 63 19.221 -15.400 9.573 1.00 0.00 O ATOM 1065 OD2 ASP A 63 17.557 -14.651 10.961 1.00 0.00 O ATOM 0 H ASP A 63 18.455 -12.179 9.831 1.00 0.00 H new ATOM 0 HA ASP A 63 16.405 -12.487 7.670 1.00 0.00 H new ATOM 0 HB2 ASP A 63 16.487 -14.859 8.418 1.00 0.00 H new ATOM 0 HB3 ASP A 63 17.971 -14.275 7.693 1.00 0.00 H new ATOM 1071 N PHE A 64 14.523 -11.872 9.194 1.00 0.00 N ATOM 1072 CA PHE A 64 13.495 -11.333 10.137 1.00 0.00 C ATOM 1073 C PHE A 64 12.067 -11.195 9.519 1.00 0.00 C ATOM 1074 O PHE A 64 11.900 -10.942 8.323 1.00 0.00 O ATOM 1075 CB PHE A 64 13.981 -9.965 10.717 1.00 0.00 C ATOM 1076 CG PHE A 64 14.147 -8.792 9.726 1.00 0.00 C ATOM 1077 CD1 PHE A 64 13.073 -7.950 9.424 1.00 0.00 C ATOM 1078 CD2 PHE A 64 15.363 -8.606 9.068 1.00 0.00 C ATOM 1079 CE1 PHE A 64 13.209 -6.962 8.454 1.00 0.00 C ATOM 1080 CE2 PHE A 64 15.499 -7.618 8.097 1.00 0.00 C ATOM 1081 CZ PHE A 64 14.423 -6.790 7.795 1.00 0.00 C ATOM 0 H PHE A 64 14.339 -11.662 8.213 1.00 0.00 H new ATOM 0 HA PHE A 64 13.392 -12.068 10.935 1.00 0.00 H new ATOM 0 HB2 PHE A 64 13.276 -9.657 11.489 1.00 0.00 H new ATOM 0 HB3 PHE A 64 14.940 -10.129 11.209 1.00 0.00 H new ATOM 0 HD1 PHE A 64 12.134 -8.067 9.945 1.00 0.00 H new ATOM 0 HD2 PHE A 64 16.206 -9.234 9.314 1.00 0.00 H new ATOM 0 HE1 PHE A 64 12.370 -6.327 8.212 1.00 0.00 H new ATOM 0 HE2 PHE A 64 16.439 -7.495 7.579 1.00 0.00 H new ATOM 0 HZ PHE A 64 14.529 -6.015 7.050 1.00 0.00 H new ATOM 1091 N GLN A 65 11.030 -11.242 10.369 1.00 0.00 N ATOM 1092 CA GLN A 65 9.659 -10.800 9.994 1.00 0.00 C ATOM 1093 C GLN A 65 9.496 -9.257 10.178 1.00 0.00 C ATOM 1094 O GLN A 65 9.733 -8.720 11.266 1.00 0.00 O ATOM 1095 CB GLN A 65 8.605 -11.587 10.822 1.00 0.00 C ATOM 1096 CG GLN A 65 8.256 -13.013 10.310 1.00 0.00 C ATOM 1097 CD GLN A 65 9.309 -14.119 10.504 1.00 0.00 C ATOM 1098 OE1 GLN A 65 10.220 -14.054 11.323 1.00 0.00 O ATOM 1099 NE2 GLN A 65 9.196 -15.200 9.771 1.00 0.00 N ATOM 0 H GLN A 65 11.106 -11.582 11.328 1.00 0.00 H new ATOM 0 HA GLN A 65 9.497 -11.016 8.938 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.967 -11.670 11.847 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.687 -11.000 10.854 1.00 0.00 H new ATOM 0 HG2 GLN A 65 7.339 -13.332 10.805 1.00 0.00 H new ATOM 0 HG3 GLN A 65 8.035 -12.943 9.245 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.446 -15.274 9.084 1.00 0.00 H new ATOM 0 HE22 GLN A 65 9.858 -15.967 9.888 1.00 0.00 H new ATOM 1108 N VAL A 66 9.049 -8.550 9.120 1.00 0.00 N ATOM 1109 CA VAL A 66 8.729 -7.091 9.183 1.00 0.00 C ATOM 1110 C VAL A 66 7.447 -6.888 10.069 1.00 0.00 C ATOM 1111 O VAL A 66 6.364 -7.384 9.739 1.00 0.00 O ATOM 1112 CB VAL A 66 8.551 -6.466 7.754 1.00 0.00 C ATOM 1113 CG1 VAL A 66 8.481 -4.923 7.814 1.00 0.00 C ATOM 1114 CG2 VAL A 66 9.622 -6.821 6.696 1.00 0.00 C ATOM 0 H VAL A 66 8.897 -8.962 8.199 1.00 0.00 H new ATOM 0 HA VAL A 66 9.568 -6.565 9.639 1.00 0.00 H new ATOM 0 HB VAL A 66 7.616 -6.922 7.428 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.358 -4.525 6.807 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.634 -4.621 8.430 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.402 -4.534 8.248 1.00 0.00 H new ATOM 0 HG21 VAL A 66 9.382 -6.326 5.755 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.600 -6.487 7.042 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.640 -7.900 6.544 1.00 0.00 H new ATOM 1124 N GLY A 67 7.611 -6.227 11.223 1.00 0.00 N ATOM 1125 CA GLY A 67 6.643 -6.314 12.350 1.00 0.00 C ATOM 1126 C GLY A 67 7.234 -6.744 13.714 1.00 0.00 C ATOM 1127 O GLY A 67 6.888 -6.144 14.733 1.00 0.00 O ATOM 0 H GLY A 67 8.408 -5.619 11.411 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.168 -5.341 12.472 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.859 -7.020 12.077 1.00 0.00 H new ATOM 1131 N LYS A 68 8.064 -7.803 13.758 1.00 0.00 N ATOM 1132 CA LYS A 68 8.568 -8.384 15.036 1.00 0.00 C ATOM 1133 C LYS A 68 9.821 -7.648 15.615 1.00 0.00 C ATOM 1134 O LYS A 68 10.731 -7.251 14.878 1.00 0.00 O ATOM 1135 CB LYS A 68 8.878 -9.896 14.841 1.00 0.00 C ATOM 1136 CG LYS A 68 7.657 -10.816 14.565 1.00 0.00 C ATOM 1137 CD LYS A 68 7.791 -12.246 15.135 1.00 0.00 C ATOM 1138 CE LYS A 68 8.841 -13.113 14.424 1.00 0.00 C ATOM 1139 NZ LYS A 68 8.979 -14.418 15.097 1.00 0.00 N ATOM 0 H LYS A 68 8.406 -8.282 12.925 1.00 0.00 H new ATOM 0 HA LYS A 68 7.773 -8.250 15.770 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.578 -9.998 14.012 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.386 -10.260 15.734 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.766 -10.352 14.987 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.503 -10.881 13.488 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.046 -12.181 16.193 1.00 0.00 H new ATOM 0 HD3 LYS A 68 6.823 -12.743 15.071 1.00 0.00 H new ATOM 0 HE2 LYS A 68 8.552 -13.263 13.384 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.802 -12.598 14.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 9.693 -14.990 14.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 9.276 -14.271 16.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.066 -14.915 15.081 1.00 0.00 H new ATOM 1152 N GLU A 69 9.885 -7.525 16.958 1.00 0.00 N ATOM 1153 CA GLU A 69 11.049 -6.916 17.659 1.00 0.00 C ATOM 1154 C GLU A 69 12.087 -8.007 18.089 1.00 0.00 C ATOM 1155 O GLU A 69 11.943 -8.655 19.130 1.00 0.00 O ATOM 1156 CB GLU A 69 10.521 -6.026 18.817 1.00 0.00 C ATOM 1157 CG GLU A 69 11.582 -5.029 19.347 1.00 0.00 C ATOM 1158 CD GLU A 69 11.033 -3.862 20.153 1.00 0.00 C ATOM 1159 OE1 GLU A 69 10.789 -2.766 19.654 1.00 0.00 O ATOM 1160 OE2 GLU A 69 10.856 -4.178 21.469 1.00 0.00 O ATOM 0 H GLU A 69 9.144 -7.839 17.585 1.00 0.00 H new ATOM 0 HA GLU A 69 11.610 -6.265 16.988 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.649 -5.471 18.472 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.189 -6.664 19.636 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.292 -5.576 19.968 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.140 -4.633 18.499 1.00 0.00 H new ATOM 1168 N PHE A 70 13.119 -8.221 17.256 1.00 0.00 N ATOM 1169 CA PHE A 70 14.084 -9.353 17.394 1.00 0.00 C ATOM 1170 C PHE A 70 15.472 -8.909 17.963 1.00 0.00 C ATOM 1171 O PHE A 70 15.990 -7.855 17.583 1.00 0.00 O ATOM 1172 CB PHE A 70 14.198 -10.066 16.008 1.00 0.00 C ATOM 1173 CG PHE A 70 14.926 -9.325 14.861 1.00 0.00 C ATOM 1174 CD1 PHE A 70 14.250 -8.375 14.088 1.00 0.00 C ATOM 1175 CD2 PHE A 70 16.279 -9.578 14.604 1.00 0.00 C ATOM 1176 CE1 PHE A 70 14.922 -7.671 13.093 1.00 0.00 C ATOM 1177 CE2 PHE A 70 16.944 -8.889 13.593 1.00 0.00 C ATOM 1178 CZ PHE A 70 16.265 -7.935 12.840 1.00 0.00 C ATOM 0 H PHE A 70 13.319 -7.616 16.459 1.00 0.00 H new ATOM 0 HA PHE A 70 13.706 -10.057 18.135 1.00 0.00 H new ATOM 0 HB2 PHE A 70 14.706 -11.018 16.164 1.00 0.00 H new ATOM 0 HB3 PHE A 70 13.188 -10.295 15.668 1.00 0.00 H new ATOM 0 HD1 PHE A 70 13.201 -8.187 14.264 1.00 0.00 H new ATOM 0 HD2 PHE A 70 16.810 -10.311 15.193 1.00 0.00 H new ATOM 0 HE1 PHE A 70 14.401 -6.920 12.517 1.00 0.00 H new ATOM 0 HE2 PHE A 70 17.985 -9.094 13.393 1.00 0.00 H new ATOM 0 HZ PHE A 70 16.781 -7.399 12.058 1.00 0.00 H new ATOM 1188 N GLU A 71 16.127 -9.714 18.824 1.00 0.00 N ATOM 1189 CA GLU A 71 17.489 -9.372 19.333 1.00 0.00 C ATOM 1190 C GLU A 71 18.613 -9.514 18.251 1.00 0.00 C ATOM 1191 O GLU A 71 18.924 -10.614 17.784 1.00 0.00 O ATOM 1192 CB GLU A 71 17.820 -10.093 20.670 1.00 0.00 C ATOM 1193 CG GLU A 71 18.045 -11.627 20.653 1.00 0.00 C ATOM 1194 CD GLU A 71 18.481 -12.179 22.009 1.00 0.00 C ATOM 1195 OE1 GLU A 71 19.614 -12.054 22.465 1.00 0.00 O ATOM 1196 OE2 GLU A 71 17.472 -12.824 22.659 1.00 0.00 O ATOM 0 H GLU A 71 15.751 -10.592 19.182 1.00 0.00 H new ATOM 0 HA GLU A 71 17.464 -8.307 19.566 1.00 0.00 H new ATOM 0 HB2 GLU A 71 18.718 -9.632 21.081 1.00 0.00 H new ATOM 0 HB3 GLU A 71 17.008 -9.886 21.367 1.00 0.00 H new ATOM 0 HG2 GLU A 71 17.124 -12.121 20.345 1.00 0.00 H new ATOM 0 HG3 GLU A 71 18.802 -11.870 19.907 1.00 0.00 H new ATOM 1204 N GLU A 72 19.256 -8.392 17.887 1.00 0.00 N ATOM 1205 CA GLU A 72 20.531 -8.412 17.124 1.00 0.00 C ATOM 1206 C GLU A 72 21.723 -8.648 18.109 1.00 0.00 C ATOM 1207 O GLU A 72 22.164 -7.728 18.805 1.00 0.00 O ATOM 1208 CB GLU A 72 20.682 -7.086 16.330 1.00 0.00 C ATOM 1209 CG GLU A 72 19.858 -6.966 15.027 1.00 0.00 C ATOM 1210 CD GLU A 72 20.193 -5.695 14.247 1.00 0.00 C ATOM 1211 OE1 GLU A 72 21.073 -5.629 13.388 1.00 0.00 O ATOM 1212 OE2 GLU A 72 19.418 -4.640 14.622 1.00 0.00 O ATOM 0 H GLU A 72 18.919 -7.455 18.106 1.00 0.00 H new ATOM 0 HA GLU A 72 20.530 -9.229 16.403 1.00 0.00 H new ATOM 0 HB2 GLU A 72 20.405 -6.261 16.987 1.00 0.00 H new ATOM 0 HB3 GLU A 72 21.735 -6.955 16.081 1.00 0.00 H new ATOM 0 HG2 GLU A 72 20.047 -7.836 14.398 1.00 0.00 H new ATOM 0 HG3 GLU A 72 18.795 -6.972 15.269 1.00 0.00 H new ATOM 1363 N CYS A 82 20.531 -5.761 20.562 1.00 0.00 N ATOM 1364 CA CYS A 82 19.598 -4.660 20.213 1.00 0.00 C ATOM 1365 C CYS A 82 18.220 -5.225 19.752 1.00 0.00 C ATOM 1366 O CYS A 82 18.107 -5.881 18.708 1.00 0.00 O ATOM 1367 CB CYS A 82 20.249 -3.755 19.158 1.00 0.00 C ATOM 1368 SG CYS A 82 21.757 -2.961 19.811 1.00 0.00 S ATOM 0 HA CYS A 82 19.399 -4.053 21.096 1.00 0.00 H new ATOM 0 HB2 CYS A 82 20.498 -4.343 18.274 1.00 0.00 H new ATOM 0 HB3 CYS A 82 19.539 -2.990 18.843 1.00 0.00 H new ATOM 0 HG CYS A 82 22.736 -3.133 18.973 1.00 0.00 H new ATOM 1374 N MET A 83 17.171 -4.962 20.546 1.00 0.00 N ATOM 1375 CA MET A 83 15.799 -5.487 20.300 1.00 0.00 C ATOM 1376 C MET A 83 15.134 -4.691 19.133 1.00 0.00 C ATOM 1377 O MET A 83 14.693 -3.548 19.284 1.00 0.00 O ATOM 1378 CB MET A 83 14.981 -5.461 21.627 1.00 0.00 C ATOM 1379 CG MET A 83 14.150 -6.734 21.883 1.00 0.00 C ATOM 1380 SD MET A 83 15.254 -8.115 22.227 1.00 0.00 S ATOM 1381 CE MET A 83 14.106 -9.490 22.037 1.00 0.00 C ATOM 0 H MET A 83 17.240 -4.380 21.381 1.00 0.00 H new ATOM 0 HA MET A 83 15.834 -6.529 19.981 1.00 0.00 H new ATOM 0 HB2 MET A 83 15.668 -5.315 22.461 1.00 0.00 H new ATOM 0 HB3 MET A 83 14.312 -4.601 21.611 1.00 0.00 H new ATOM 0 HG2 MET A 83 13.474 -6.577 22.724 1.00 0.00 H new ATOM 0 HG3 MET A 83 13.531 -6.958 21.014 1.00 0.00 H new ATOM 0 HE1 MET A 83 14.630 -10.429 22.217 1.00 0.00 H new ATOM 0 HE2 MET A 83 13.291 -9.386 22.754 1.00 0.00 H new ATOM 0 HE3 MET A 83 13.701 -9.489 21.025 1.00 0.00 H new ATOM 1391 N THR A 84 15.175 -5.274 17.933 1.00 0.00 N ATOM 1392 CA THR A 84 15.112 -4.508 16.668 1.00 0.00 C ATOM 1393 C THR A 84 13.709 -4.656 16.026 1.00 0.00 C ATOM 1394 O THR A 84 13.375 -5.717 15.491 1.00 0.00 O ATOM 1395 CB THR A 84 16.258 -4.972 15.718 1.00 0.00 C ATOM 1396 OG1 THR A 84 17.539 -4.837 16.340 1.00 0.00 O ATOM 1397 CG2 THR A 84 16.293 -4.139 14.425 1.00 0.00 C ATOM 0 H THR A 84 15.252 -6.283 17.802 1.00 0.00 H new ATOM 0 HA THR A 84 15.261 -3.446 16.865 1.00 0.00 H new ATOM 0 HB THR A 84 16.053 -6.018 15.490 1.00 0.00 H new ATOM 0 HG1 THR A 84 18.175 -4.454 15.700 1.00 0.00 H new ATOM 0 HG21 THR A 84 17.104 -4.491 13.787 1.00 0.00 H new ATOM 0 HG22 THR A 84 15.345 -4.245 13.898 1.00 0.00 H new ATOM 0 HG23 THR A 84 16.455 -3.090 14.672 1.00 0.00 H new ATOM 1405 N THR A 85 12.920 -3.572 16.022 1.00 0.00 N ATOM 1406 CA THR A 85 11.679 -3.507 15.201 1.00 0.00 C ATOM 1407 C THR A 85 12.044 -2.955 13.791 1.00 0.00 C ATOM 1408 O THR A 85 12.540 -1.830 13.661 1.00 0.00 O ATOM 1409 CB THR A 85 10.584 -2.657 15.907 1.00 0.00 C ATOM 1410 OG1 THR A 85 10.166 -3.291 17.111 1.00 0.00 O ATOM 1411 CG2 THR A 85 9.283 -2.501 15.099 1.00 0.00 C ATOM 0 H THR A 85 13.107 -2.731 16.568 1.00 0.00 H new ATOM 0 HA THR A 85 11.256 -4.505 15.085 1.00 0.00 H new ATOM 0 HB THR A 85 11.058 -1.686 16.052 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.574 -2.838 17.878 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.574 -1.895 15.664 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.501 -2.013 14.149 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.851 -3.484 14.912 1.00 0.00 H new ATOM 1419 N VAL A 86 11.744 -3.743 12.747 1.00 0.00 N ATOM 1420 CA VAL A 86 11.734 -3.248 11.341 1.00 0.00 C ATOM 1421 C VAL A 86 10.242 -3.228 10.876 1.00 0.00 C ATOM 1422 O VAL A 86 9.579 -4.269 10.884 1.00 0.00 O ATOM 1423 CB VAL A 86 12.644 -4.092 10.390 1.00 0.00 C ATOM 1424 CG1 VAL A 86 12.749 -3.442 8.991 1.00 0.00 C ATOM 1425 CG2 VAL A 86 14.092 -4.316 10.880 1.00 0.00 C ATOM 0 H VAL A 86 11.503 -4.730 12.839 1.00 0.00 H new ATOM 0 HA VAL A 86 12.161 -2.246 11.297 1.00 0.00 H new ATOM 0 HB VAL A 86 12.142 -5.059 10.366 1.00 0.00 H new ATOM 0 HG11 VAL A 86 13.388 -4.052 8.353 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.756 -3.371 8.547 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.177 -2.444 9.085 1.00 0.00 H new ATOM 0 HG21 VAL A 86 14.636 -4.912 10.147 1.00 0.00 H new ATOM 0 HG22 VAL A 86 14.587 -3.353 11.004 1.00 0.00 H new ATOM 0 HG23 VAL A 86 14.076 -4.841 11.835 1.00 0.00 H new ATOM 1435 N SER A 87 9.725 -2.059 10.469 1.00 0.00 N ATOM 1436 CA SER A 87 8.294 -1.871 10.101 1.00 0.00 C ATOM 1437 C SER A 87 8.146 -1.206 8.698 1.00 0.00 C ATOM 1438 O SER A 87 9.011 -0.452 8.232 1.00 0.00 O ATOM 1439 CB SER A 87 7.606 -1.027 11.203 1.00 0.00 C ATOM 1440 OG SER A 87 7.412 -1.803 12.386 1.00 0.00 O ATOM 0 H SER A 87 10.281 -1.208 10.382 1.00 0.00 H new ATOM 0 HA SER A 87 7.808 -2.844 10.033 1.00 0.00 H new ATOM 0 HB2 SER A 87 8.215 -0.152 11.432 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.645 -0.661 10.841 1.00 0.00 H new ATOM 0 HG SER A 87 6.978 -1.252 13.071 1.00 0.00 H new ATOM 1446 N TRP A 88 7.007 -1.459 8.028 1.00 0.00 N ATOM 1447 CA TRP A 88 6.683 -0.800 6.735 1.00 0.00 C ATOM 1448 C TRP A 88 6.016 0.597 6.943 1.00 0.00 C ATOM 1449 O TRP A 88 4.870 0.696 7.393 1.00 0.00 O ATOM 1450 CB TRP A 88 5.747 -1.702 5.878 1.00 0.00 C ATOM 1451 CG TRP A 88 6.376 -2.938 5.225 1.00 0.00 C ATOM 1452 CD1 TRP A 88 5.923 -4.269 5.367 1.00 0.00 C ATOM 1453 CD2 TRP A 88 7.361 -2.982 4.255 1.00 0.00 C ATOM 1454 NE1 TRP A 88 6.623 -5.153 4.521 1.00 0.00 N ATOM 1455 CE2 TRP A 88 7.501 -4.331 3.835 1.00 0.00 C ATOM 1456 CE3 TRP A 88 8.082 -1.947 3.601 1.00 0.00 C ATOM 1457 CZ2 TRP A 88 8.357 -4.652 2.759 1.00 0.00 C ATOM 1458 CZ3 TRP A 88 8.929 -2.292 2.550 1.00 0.00 C ATOM 1459 CH2 TRP A 88 9.067 -3.624 2.137 1.00 0.00 C ATOM 0 H TRP A 88 6.294 -2.111 8.353 1.00 0.00 H new ATOM 0 HA TRP A 88 7.626 -0.651 6.209 1.00 0.00 H new ATOM 0 HB2 TRP A 88 4.925 -2.035 6.512 1.00 0.00 H new ATOM 0 HB3 TRP A 88 5.313 -1.087 5.090 1.00 0.00 H new ATOM 0 HD1 TRP A 88 5.136 -4.572 6.042 1.00 0.00 H new ATOM 0 HE1 TRP A 88 6.509 -6.163 4.434 1.00 0.00 H new ATOM 0 HE3 TRP A 88 7.976 -0.918 3.911 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 8.460 -5.673 2.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 9.489 -1.519 2.045 1.00 0.00 H new ATOM 0 HH2 TRP A 88 9.735 -3.859 1.322 1.00 0.00 H new ATOM 1470 N ASP A 89 6.700 1.670 6.518 1.00 0.00 N ATOM 1471 CA ASP A 89 6.053 2.983 6.243 1.00 0.00 C ATOM 1472 C ASP A 89 5.673 3.074 4.721 1.00 0.00 C ATOM 1473 O ASP A 89 6.308 3.788 3.938 1.00 0.00 O ATOM 1474 CB ASP A 89 7.055 4.047 6.769 1.00 0.00 C ATOM 1475 CG ASP A 89 6.599 5.500 6.658 1.00 0.00 C ATOM 1476 OD1 ASP A 89 5.473 5.891 6.948 1.00 0.00 O ATOM 1477 OD2 ASP A 89 7.589 6.321 6.212 1.00 0.00 O ATOM 0 H ASP A 89 7.707 1.664 6.354 1.00 0.00 H new ATOM 0 HA ASP A 89 5.101 3.141 6.749 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.268 3.832 7.816 1.00 0.00 H new ATOM 0 HB3 ASP A 89 7.992 3.937 6.224 1.00 0.00 H new ATOM 1483 N GLY A 90 4.653 2.292 4.304 1.00 0.00 N ATOM 1484 CA GLY A 90 4.324 2.080 2.866 1.00 0.00 C ATOM 1485 C GLY A 90 5.449 1.423 2.030 1.00 0.00 C ATOM 1486 O GLY A 90 5.869 0.296 2.297 1.00 0.00 O ATOM 0 H GLY A 90 4.036 1.791 4.944 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.432 1.457 2.800 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.074 3.043 2.420 1.00 0.00 H new ATOM 1490 N ASP A 91 5.980 2.188 1.068 1.00 0.00 N ATOM 1491 CA ASP A 91 7.248 1.851 0.351 1.00 0.00 C ATOM 1492 C ASP A 91 8.559 1.835 1.217 1.00 0.00 C ATOM 1493 O ASP A 91 9.493 1.107 0.873 1.00 0.00 O ATOM 1494 CB ASP A 91 7.432 2.860 -0.820 1.00 0.00 C ATOM 1495 CG ASP A 91 6.444 2.765 -1.982 1.00 0.00 C ATOM 1496 OD1 ASP A 91 6.742 2.338 -3.091 1.00 0.00 O ATOM 1497 OD2 ASP A 91 5.206 3.233 -1.659 1.00 0.00 O ATOM 0 H ASP A 91 5.555 3.060 0.754 1.00 0.00 H new ATOM 0 HA ASP A 91 7.123 0.820 0.019 1.00 0.00 H new ATOM 0 HB2 ASP A 91 7.376 3.868 -0.410 1.00 0.00 H new ATOM 0 HB3 ASP A 91 8.438 2.734 -1.220 1.00 0.00 H new ATOM 1503 N LYS A 92 8.660 2.655 2.280 1.00 0.00 N ATOM 1504 CA LYS A 92 9.906 2.825 3.072 1.00 0.00 C ATOM 1505 C LYS A 92 10.009 1.753 4.202 1.00 0.00 C ATOM 1506 O LYS A 92 9.096 1.591 5.018 1.00 0.00 O ATOM 1507 CB LYS A 92 9.942 4.262 3.666 1.00 0.00 C ATOM 1508 CG LYS A 92 9.961 5.433 2.650 1.00 0.00 C ATOM 1509 CD LYS A 92 10.094 6.834 3.279 1.00 0.00 C ATOM 1510 CE LYS A 92 11.491 7.120 3.855 1.00 0.00 C ATOM 1511 NZ LYS A 92 11.577 8.504 4.355 1.00 0.00 N ATOM 0 H LYS A 92 7.883 3.222 2.619 1.00 0.00 H new ATOM 0 HA LYS A 92 10.765 2.684 2.415 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.073 4.385 4.312 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.825 4.347 4.300 1.00 0.00 H new ATOM 0 HG2 LYS A 92 10.789 5.281 1.958 1.00 0.00 H new ATOM 0 HG3 LYS A 92 9.044 5.400 2.062 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.860 7.585 2.525 1.00 0.00 H new ATOM 0 HD3 LYS A 92 9.354 6.938 4.073 1.00 0.00 H new ATOM 0 HE2 LYS A 92 11.706 6.422 4.664 1.00 0.00 H new ATOM 0 HE3 LYS A 92 12.247 6.959 3.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 12.528 8.676 4.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 11.394 9.167 3.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.870 8.647 5.104 1.00 0.00 H new ATOM 1524 N LEU A 93 11.141 1.038 4.270 1.00 0.00 N ATOM 1525 CA LEU A 93 11.406 0.043 5.339 1.00 0.00 C ATOM 1526 C LEU A 93 12.167 0.744 6.514 1.00 0.00 C ATOM 1527 O LEU A 93 13.342 1.110 6.391 1.00 0.00 O ATOM 1528 CB LEU A 93 12.170 -1.123 4.656 1.00 0.00 C ATOM 1529 CG LEU A 93 12.374 -2.404 5.498 1.00 0.00 C ATOM 1530 CD1 LEU A 93 11.056 -3.161 5.747 1.00 0.00 C ATOM 1531 CD2 LEU A 93 13.367 -3.338 4.790 1.00 0.00 C ATOM 0 H LEU A 93 11.899 1.126 3.594 1.00 0.00 H new ATOM 0 HA LEU A 93 10.508 -0.369 5.799 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.634 -1.395 3.746 1.00 0.00 H new ATOM 0 HB3 LEU A 93 13.150 -0.756 4.351 1.00 0.00 H new ATOM 0 HG LEU A 93 12.766 -2.093 6.466 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.255 -4.052 6.342 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.361 -2.515 6.282 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.618 -3.453 4.792 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.508 -4.239 5.387 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.976 -3.609 3.810 1.00 0.00 H new ATOM 0 HD23 LEU A 93 14.323 -2.829 4.671 1.00 0.00 H new ATOM 1543 N GLN A 94 11.459 0.979 7.629 1.00 0.00 N ATOM 1544 CA GLN A 94 11.977 1.762 8.787 1.00 0.00 C ATOM 1545 C GLN A 94 12.459 0.822 9.929 1.00 0.00 C ATOM 1546 O GLN A 94 11.705 -0.052 10.366 1.00 0.00 O ATOM 1547 CB GLN A 94 10.841 2.687 9.307 1.00 0.00 C ATOM 1548 CG GLN A 94 10.545 3.913 8.422 1.00 0.00 C ATOM 1549 CD GLN A 94 11.649 4.978 8.416 1.00 0.00 C ATOM 1550 OE1 GLN A 94 12.766 4.849 8.909 1.00 0.00 O ATOM 1551 NE2 GLN A 94 11.384 6.058 7.758 1.00 0.00 N ATOM 0 H GLN A 94 10.508 0.636 7.764 1.00 0.00 H new ATOM 0 HA GLN A 94 12.831 2.356 8.463 1.00 0.00 H new ATOM 0 HB2 GLN A 94 9.929 2.098 9.403 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.104 3.034 10.306 1.00 0.00 H new ATOM 0 HG2 GLN A 94 10.379 3.575 7.399 1.00 0.00 H new ATOM 0 HG3 GLN A 94 9.616 4.373 8.760 1.00 0.00 H new ATOM 0 HE21 GLN A 94 10.463 6.187 7.340 1.00 0.00 H new ATOM 0 HE22 GLN A 94 12.096 6.781 7.657 1.00 0.00 H new ATOM 1560 N CYS A 95 13.686 1.013 10.435 1.00 0.00 N ATOM 1561 CA CYS A 95 14.280 0.151 11.486 1.00 0.00 C ATOM 1562 C CYS A 95 14.728 0.970 12.723 1.00 0.00 C ATOM 1563 O CYS A 95 15.469 1.951 12.596 1.00 0.00 O ATOM 1564 CB CYS A 95 15.483 -0.578 10.864 1.00 0.00 C ATOM 1565 SG CYS A 95 16.381 -1.580 12.101 1.00 0.00 S ATOM 0 H CYS A 95 14.301 1.768 10.132 1.00 0.00 H new ATOM 0 HA CYS A 95 13.531 -0.559 11.837 1.00 0.00 H new ATOM 0 HB2 CYS A 95 15.139 -1.222 10.054 1.00 0.00 H new ATOM 0 HB3 CYS A 95 16.163 0.152 10.424 1.00 0.00 H new ATOM 0 HG CYS A 95 17.499 -2.002 11.589 1.00 0.00 H new ATOM 1571 N VAL A 96 14.344 0.510 13.926 1.00 0.00 N ATOM 1572 CA VAL A 96 14.901 1.029 15.210 1.00 0.00 C ATOM 1573 C VAL A 96 15.587 -0.140 15.997 1.00 0.00 C ATOM 1574 O VAL A 96 14.975 -1.181 16.257 1.00 0.00 O ATOM 1575 CB VAL A 96 13.823 1.837 16.009 1.00 0.00 C ATOM 1576 CG1 VAL A 96 12.599 1.028 16.496 1.00 0.00 C ATOM 1577 CG2 VAL A 96 14.428 2.597 17.211 1.00 0.00 C ATOM 0 H VAL A 96 13.647 -0.224 14.047 1.00 0.00 H new ATOM 0 HA VAL A 96 15.688 1.758 15.018 1.00 0.00 H new ATOM 0 HB VAL A 96 13.454 2.539 15.262 1.00 0.00 H new ATOM 0 HG11 VAL A 96 11.919 1.687 17.036 1.00 0.00 H new ATOM 0 HG12 VAL A 96 12.082 0.598 15.638 1.00 0.00 H new ATOM 0 HG13 VAL A 96 12.931 0.228 17.158 1.00 0.00 H new ATOM 0 HG21 VAL A 96 13.640 3.141 17.732 1.00 0.00 H new ATOM 0 HG22 VAL A 96 14.891 1.886 17.895 1.00 0.00 H new ATOM 0 HG23 VAL A 96 15.180 3.301 16.855 1.00 0.00 H new ATOM 1587 N GLN A 97 16.864 0.045 16.370 1.00 0.00 N ATOM 1588 CA GLN A 97 17.689 -0.984 17.064 1.00 0.00 C ATOM 1589 C GLN A 97 17.747 -0.664 18.598 1.00 0.00 C ATOM 1590 O GLN A 97 18.622 0.083 19.050 1.00 0.00 O ATOM 1591 CB GLN A 97 19.106 -0.981 16.411 1.00 0.00 C ATOM 1592 CG GLN A 97 19.225 -1.359 14.910 1.00 0.00 C ATOM 1593 CD GLN A 97 20.671 -1.508 14.404 1.00 0.00 C ATOM 1594 OE1 GLN A 97 21.480 -2.270 14.927 1.00 0.00 O ATOM 1595 NE2 GLN A 97 21.062 -0.812 13.365 1.00 0.00 N ATOM 0 H GLN A 97 17.366 0.917 16.202 1.00 0.00 H new ATOM 0 HA GLN A 97 17.255 -1.978 16.960 1.00 0.00 H new ATOM 0 HB2 GLN A 97 19.528 0.016 16.537 1.00 0.00 H new ATOM 0 HB3 GLN A 97 19.735 -1.668 16.978 1.00 0.00 H new ATOM 0 HG2 GLN A 97 18.696 -2.297 14.741 1.00 0.00 H new ATOM 0 HG3 GLN A 97 18.722 -0.597 14.315 1.00 0.00 H new ATOM 0 HE21 GLN A 97 20.414 -0.170 12.908 1.00 0.00 H new ATOM 0 HE22 GLN A 97 22.014 -0.912 13.013 1.00 0.00 H new ATOM 1604 N LYS A 98 16.808 -1.193 19.409 1.00 0.00 N ATOM 1605 CA LYS A 98 16.614 -0.713 20.812 1.00 0.00 C ATOM 1606 C LYS A 98 17.572 -1.396 21.844 1.00 0.00 C ATOM 1607 O LYS A 98 17.554 -2.616 22.028 1.00 0.00 O ATOM 1608 CB LYS A 98 15.141 -0.899 21.266 1.00 0.00 C ATOM 1609 CG LYS A 98 14.065 -0.128 20.467 1.00 0.00 C ATOM 1610 CD LYS A 98 12.669 -0.265 21.111 1.00 0.00 C ATOM 1611 CE LYS A 98 11.510 0.362 20.316 1.00 0.00 C ATOM 1612 NZ LYS A 98 11.550 1.839 20.331 1.00 0.00 N ATOM 0 H LYS A 98 16.175 -1.943 19.131 1.00 0.00 H new ATOM 0 HA LYS A 98 16.864 0.348 20.795 1.00 0.00 H new ATOM 0 HB2 LYS A 98 14.902 -1.962 21.220 1.00 0.00 H new ATOM 0 HB3 LYS A 98 15.067 -0.601 22.312 1.00 0.00 H new ATOM 0 HG2 LYS A 98 14.338 0.926 20.411 1.00 0.00 H new ATOM 0 HG3 LYS A 98 14.032 -0.503 19.444 1.00 0.00 H new ATOM 0 HD2 LYS A 98 12.457 -1.324 21.255 1.00 0.00 H new ATOM 0 HD3 LYS A 98 12.698 0.192 22.100 1.00 0.00 H new ATOM 0 HE2 LYS A 98 11.549 0.011 19.285 1.00 0.00 H new ATOM 0 HE3 LYS A 98 10.562 0.023 20.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.750 2.214 19.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 11.486 2.178 21.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 12.442 2.166 19.909 1.00 0.00 H new ATOM 1625 N GLY A 99 18.364 -0.590 22.562 1.00 0.00 N ATOM 1626 CA GLY A 99 19.191 -1.085 23.692 1.00 0.00 C ATOM 1627 C GLY A 99 19.811 0.068 24.508 1.00 0.00 C ATOM 1628 O GLY A 99 19.117 1.012 24.891 1.00 0.00 O ATOM 0 H GLY A 99 18.456 0.411 22.387 1.00 0.00 H new ATOM 0 HA2 GLY A 99 18.576 -1.702 24.347 1.00 0.00 H new ATOM 0 HA3 GLY A 99 19.986 -1.723 23.306 1.00 0.00 H new ATOM 1632 N GLU A 100 21.125 0.002 24.767 1.00 0.00 N ATOM 1633 CA GLU A 100 21.861 1.098 25.476 1.00 0.00 C ATOM 1634 C GLU A 100 22.227 2.378 24.636 1.00 0.00 C ATOM 1635 O GLU A 100 22.596 3.395 25.233 1.00 0.00 O ATOM 1636 CB GLU A 100 23.105 0.432 26.137 1.00 0.00 C ATOM 1637 CG GLU A 100 23.886 1.290 27.174 1.00 0.00 C ATOM 1638 CD GLU A 100 25.192 1.920 26.680 1.00 0.00 C ATOM 1639 OE1 GLU A 100 26.295 1.434 26.910 1.00 0.00 O ATOM 1640 OE2 GLU A 100 24.992 3.077 25.980 1.00 0.00 O ATOM 0 H GLU A 100 21.712 -0.789 24.503 1.00 0.00 H new ATOM 0 HA GLU A 100 21.182 1.533 26.209 1.00 0.00 H new ATOM 0 HB2 GLU A 100 22.780 -0.484 26.629 1.00 0.00 H new ATOM 0 HB3 GLU A 100 23.796 0.141 25.346 1.00 0.00 H new ATOM 0 HG2 GLU A 100 23.230 2.088 27.522 1.00 0.00 H new ATOM 0 HG3 GLU A 100 24.112 0.664 28.037 1.00 0.00 H new ATOM 1648 N LYS A 101 22.187 2.334 23.294 1.00 0.00 N ATOM 1649 CA LYS A 101 22.708 3.413 22.411 1.00 0.00 C ATOM 1650 C LYS A 101 21.562 4.347 21.909 1.00 0.00 C ATOM 1651 O LYS A 101 20.532 3.882 21.406 1.00 0.00 O ATOM 1652 CB LYS A 101 23.471 2.695 21.272 1.00 0.00 C ATOM 1653 CG LYS A 101 24.500 3.585 20.540 1.00 0.00 C ATOM 1654 CD LYS A 101 25.435 2.777 19.628 1.00 0.00 C ATOM 1655 CE LYS A 101 26.550 2.008 20.370 1.00 0.00 C ATOM 1656 NZ LYS A 101 27.008 0.836 19.598 1.00 0.00 N ATOM 0 H LYS A 101 21.791 1.547 22.779 1.00 0.00 H new ATOM 0 HA LYS A 101 23.382 4.087 22.940 1.00 0.00 H new ATOM 0 HB2 LYS A 101 23.986 1.828 21.685 1.00 0.00 H new ATOM 0 HB3 LYS A 101 22.749 2.321 20.546 1.00 0.00 H new ATOM 0 HG2 LYS A 101 23.972 4.330 19.945 1.00 0.00 H new ATOM 0 HG3 LYS A 101 25.095 4.127 21.275 1.00 0.00 H new ATOM 0 HD2 LYS A 101 24.839 2.065 19.057 1.00 0.00 H new ATOM 0 HD3 LYS A 101 25.896 3.455 18.910 1.00 0.00 H new ATOM 0 HE2 LYS A 101 27.392 2.675 20.554 1.00 0.00 H new ATOM 0 HE3 LYS A 101 26.183 1.682 21.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 26.850 -0.029 20.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 26.475 0.777 18.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 28.022 0.933 19.389 1.00 0.00 H new ATOM 1669 N GLU A 102 21.736 5.673 22.054 1.00 0.00 N ATOM 1670 CA GLU A 102 20.653 6.662 21.774 1.00 0.00 C ATOM 1671 C GLU A 102 20.474 6.949 20.248 1.00 0.00 C ATOM 1672 O GLU A 102 21.444 7.236 19.541 1.00 0.00 O ATOM 1673 CB GLU A 102 20.870 7.933 22.648 1.00 0.00 C ATOM 1674 CG GLU A 102 21.984 8.921 22.210 1.00 0.00 C ATOM 1675 CD GLU A 102 22.506 9.839 23.313 1.00 0.00 C ATOM 1676 OE1 GLU A 102 21.817 10.670 23.896 1.00 0.00 O ATOM 1677 OE2 GLU A 102 23.831 9.643 23.575 1.00 0.00 O ATOM 0 H GLU A 102 22.612 6.095 22.363 1.00 0.00 H new ATOM 0 HA GLU A 102 19.695 6.231 22.065 1.00 0.00 H new ATOM 0 HB2 GLU A 102 19.929 8.482 22.684 1.00 0.00 H new ATOM 0 HB3 GLU A 102 21.089 7.609 23.665 1.00 0.00 H new ATOM 0 HG2 GLU A 102 22.820 8.347 21.810 1.00 0.00 H new ATOM 0 HG3 GLU A 102 21.602 9.537 21.396 1.00 0.00 H new ATOM 1685 N GLY A 103 19.239 6.847 19.731 1.00 0.00 N ATOM 1686 CA GLY A 103 18.966 7.033 18.274 1.00 0.00 C ATOM 1687 C GLY A 103 19.532 6.000 17.266 1.00 0.00 C ATOM 1688 O GLY A 103 19.871 6.386 16.146 1.00 0.00 O ATOM 0 H GLY A 103 18.410 6.638 20.287 1.00 0.00 H new ATOM 0 HA2 GLY A 103 17.884 7.062 18.143 1.00 0.00 H new ATOM 0 HA3 GLY A 103 19.348 8.014 17.990 1.00 0.00 H new ATOM 1692 N ARG A 104 19.617 4.712 17.640 1.00 0.00 N ATOM 1693 CA ARG A 104 20.191 3.652 16.770 1.00 0.00 C ATOM 1694 C ARG A 104 19.117 3.062 15.797 1.00 0.00 C ATOM 1695 O ARG A 104 18.065 2.578 16.230 1.00 0.00 O ATOM 1696 CB ARG A 104 20.850 2.582 17.685 1.00 0.00 C ATOM 1697 CG ARG A 104 21.843 1.646 16.952 1.00 0.00 C ATOM 1698 CD ARG A 104 22.342 0.493 17.843 1.00 0.00 C ATOM 1699 NE ARG A 104 23.259 -0.375 17.062 1.00 0.00 N ATOM 1700 CZ ARG A 104 24.252 -1.101 17.567 1.00 0.00 C ATOM 1701 NH1 ARG A 104 24.500 -1.245 18.852 1.00 0.00 N ATOM 1702 NH2 ARG A 104 25.040 -1.707 16.725 1.00 0.00 N ATOM 0 H ARG A 104 19.295 4.370 18.545 1.00 0.00 H new ATOM 0 HA ARG A 104 20.958 4.069 16.117 1.00 0.00 H new ATOM 0 HB2 ARG A 104 21.375 3.087 18.496 1.00 0.00 H new ATOM 0 HB3 ARG A 104 20.066 1.977 18.141 1.00 0.00 H new ATOM 0 HG2 ARG A 104 21.360 1.233 16.067 1.00 0.00 H new ATOM 0 HG3 ARG A 104 22.697 2.228 16.606 1.00 0.00 H new ATOM 0 HD2 ARG A 104 22.857 0.891 18.717 1.00 0.00 H new ATOM 0 HD3 ARG A 104 21.497 -0.090 18.210 1.00 0.00 H new ATOM 0 HE ARG A 104 23.115 -0.418 16.053 1.00 0.00 H new ATOM 0 HH11 ARG A 104 23.908 -0.781 19.541 1.00 0.00 H new ATOM 0 HH12 ARG A 104 25.284 -1.821 19.159 1.00 0.00 H new ATOM 0 HH21 ARG A 104 24.882 -1.614 15.722 1.00 0.00 H new ATOM 0 HH22 ARG A 104 25.815 -2.274 17.069 1.00 0.00 H new ATOM 1716 N GLY A 105 19.387 3.091 14.484 1.00 0.00 N ATOM 1717 CA GLY A 105 18.415 2.615 13.466 1.00 0.00 C ATOM 1718 C GLY A 105 18.888 2.698 11.999 1.00 0.00 C ATOM 1719 O GLY A 105 20.060 2.943 11.695 1.00 0.00 O ATOM 0 H GLY A 105 20.264 3.436 14.094 1.00 0.00 H new ATOM 0 HA2 GLY A 105 18.162 1.578 13.689 1.00 0.00 H new ATOM 0 HA3 GLY A 105 17.498 3.196 13.566 1.00 0.00 H new ATOM 1723 N TRP A 106 17.940 2.490 11.076 1.00 0.00 N ATOM 1724 CA TRP A 106 18.153 2.730 9.617 1.00 0.00 C ATOM 1725 C TRP A 106 16.817 2.963 8.837 1.00 0.00 C ATOM 1726 O TRP A 106 15.742 2.505 9.232 1.00 0.00 O ATOM 1727 CB TRP A 106 19.099 1.691 8.926 1.00 0.00 C ATOM 1728 CG TRP A 106 18.766 0.194 8.994 1.00 0.00 C ATOM 1729 CD1 TRP A 106 19.427 -0.726 9.833 1.00 0.00 C ATOM 1730 CD2 TRP A 106 17.833 -0.551 8.289 1.00 0.00 C ATOM 1731 NE1 TRP A 106 18.926 -2.032 9.680 1.00 0.00 N ATOM 1732 CE2 TRP A 106 17.933 -1.899 8.724 1.00 0.00 C ATOM 1733 CE3 TRP A 106 16.826 -0.171 7.367 1.00 0.00 C ATOM 1734 CZ2 TRP A 106 17.017 -2.868 8.249 1.00 0.00 C ATOM 1735 CZ3 TRP A 106 15.925 -1.139 6.926 1.00 0.00 C ATOM 1736 CH2 TRP A 106 16.024 -2.469 7.352 1.00 0.00 C ATOM 0 H TRP A 106 17.005 2.153 11.303 1.00 0.00 H new ATOM 0 HA TRP A 106 18.700 3.671 9.566 1.00 0.00 H new ATOM 0 HB2 TRP A 106 19.165 1.962 7.872 1.00 0.00 H new ATOM 0 HB3 TRP A 106 20.094 1.823 9.352 1.00 0.00 H new ATOM 0 HD1 TRP A 106 20.223 -0.460 10.512 1.00 0.00 H new ATOM 0 HE1 TRP A 106 19.225 -2.880 10.162 1.00 0.00 H new ATOM 0 HE3 TRP A 106 16.758 0.847 7.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 17.085 -3.896 8.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 15.137 -0.858 6.244 1.00 0.00 H new ATOM 0 HH2 TRP A 106 15.320 -3.199 6.980 1.00 0.00 H new ATOM 1747 N THR A 107 16.900 3.663 7.696 1.00 0.00 N ATOM 1748 CA THR A 107 15.740 3.909 6.789 1.00 0.00 C ATOM 1749 C THR A 107 16.122 3.440 5.348 1.00 0.00 C ATOM 1750 O THR A 107 17.080 3.959 4.765 1.00 0.00 O ATOM 1751 CB THR A 107 15.375 5.425 6.856 1.00 0.00 C ATOM 1752 OG1 THR A 107 15.005 5.812 8.177 1.00 0.00 O ATOM 1753 CG2 THR A 107 14.221 5.838 5.937 1.00 0.00 C ATOM 0 H THR A 107 17.770 4.080 7.364 1.00 0.00 H new ATOM 0 HA THR A 107 14.859 3.343 7.093 1.00 0.00 H new ATOM 0 HB THR A 107 16.284 5.927 6.525 1.00 0.00 H new ATOM 0 HG1 THR A 107 14.041 5.684 8.298 1.00 0.00 H new ATOM 0 HG21 THR A 107 14.033 6.906 6.046 1.00 0.00 H new ATOM 0 HG22 THR A 107 14.484 5.620 4.902 1.00 0.00 H new ATOM 0 HG23 THR A 107 13.323 5.282 6.208 1.00 0.00 H new ATOM 1761 N GLN A 108 15.373 2.480 4.770 1.00 0.00 N ATOM 1762 CA GLN A 108 15.700 1.885 3.439 1.00 0.00 C ATOM 1763 C GLN A 108 14.509 2.007 2.435 1.00 0.00 C ATOM 1764 O GLN A 108 13.401 1.538 2.712 1.00 0.00 O ATOM 1765 CB GLN A 108 16.114 0.410 3.674 1.00 0.00 C ATOM 1766 CG GLN A 108 16.834 -0.257 2.479 1.00 0.00 C ATOM 1767 CD GLN A 108 17.206 -1.728 2.693 1.00 0.00 C ATOM 1768 OE1 GLN A 108 18.345 -2.079 2.973 1.00 0.00 O ATOM 1769 NE2 GLN A 108 16.276 -2.641 2.552 1.00 0.00 N ATOM 0 H GLN A 108 14.532 2.092 5.198 1.00 0.00 H new ATOM 0 HA GLN A 108 16.522 2.433 2.978 1.00 0.00 H new ATOM 0 HB2 GLN A 108 16.767 0.365 4.546 1.00 0.00 H new ATOM 0 HB3 GLN A 108 15.222 -0.170 3.913 1.00 0.00 H new ATOM 0 HG2 GLN A 108 16.194 -0.183 1.600 1.00 0.00 H new ATOM 0 HG3 GLN A 108 17.742 0.305 2.260 1.00 0.00 H new ATOM 0 HE21 GLN A 108 15.322 -2.365 2.319 1.00 0.00 H new ATOM 0 HE22 GLN A 108 16.506 -3.627 2.675 1.00 0.00 H new ATOM 1778 N TRP A 109 14.733 2.606 1.253 1.00 0.00 N ATOM 1779 CA TRP A 109 13.659 2.821 0.233 1.00 0.00 C ATOM 1780 C TRP A 109 14.162 2.649 -1.238 1.00 0.00 C ATOM 1781 O TRP A 109 15.366 2.695 -1.505 1.00 0.00 O ATOM 1782 CB TRP A 109 12.945 4.177 0.516 1.00 0.00 C ATOM 1783 CG TRP A 109 13.677 5.465 0.106 1.00 0.00 C ATOM 1784 CD1 TRP A 109 13.553 6.106 -1.144 1.00 0.00 C ATOM 1785 CD2 TRP A 109 14.607 6.204 0.811 1.00 0.00 C ATOM 1786 NE1 TRP A 109 14.387 7.235 -1.239 1.00 0.00 N ATOM 1787 CE2 TRP A 109 15.023 7.282 -0.011 1.00 0.00 C ATOM 1788 CE3 TRP A 109 15.187 6.013 2.090 1.00 0.00 C ATOM 1789 CZ2 TRP A 109 16.018 8.177 0.441 1.00 0.00 C ATOM 1790 CZ3 TRP A 109 16.164 6.912 2.520 1.00 0.00 C ATOM 1791 CH2 TRP A 109 16.570 7.980 1.708 1.00 0.00 C ATOM 0 H TRP A 109 15.648 2.956 0.967 1.00 0.00 H new ATOM 0 HA TRP A 109 12.915 2.031 0.332 1.00 0.00 H new ATOM 0 HB2 TRP A 109 11.981 4.162 0.007 1.00 0.00 H new ATOM 0 HB3 TRP A 109 12.740 4.232 1.585 1.00 0.00 H new ATOM 0 HD1 TRP A 109 12.897 5.771 -1.933 1.00 0.00 H new ATOM 0 HE1 TRP A 109 14.497 7.871 -2.029 1.00 0.00 H new ATOM 0 HE3 TRP A 109 14.880 5.190 2.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 16.345 8.997 -0.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 16.614 6.783 3.493 1.00 0.00 H new ATOM 0 HH2 TRP A 109 17.324 8.663 2.069 1.00 0.00 H new ATOM 1802 N ILE A 110 13.237 2.473 -2.204 1.00 0.00 N ATOM 1803 CA ILE A 110 13.598 2.303 -3.650 1.00 0.00 C ATOM 1804 C ILE A 110 13.220 3.584 -4.468 1.00 0.00 C ATOM 1805 O ILE A 110 12.110 4.118 -4.381 1.00 0.00 O ATOM 1806 CB ILE A 110 13.026 0.959 -4.239 1.00 0.00 C ATOM 1807 CG1 ILE A 110 13.644 -0.284 -3.533 1.00 0.00 C ATOM 1808 CG2 ILE A 110 13.254 0.810 -5.772 1.00 0.00 C ATOM 1809 CD1 ILE A 110 12.917 -1.610 -3.783 1.00 0.00 C ATOM 0 H ILE A 110 12.234 2.443 -2.022 1.00 0.00 H new ATOM 0 HA ILE A 110 14.680 2.203 -3.737 1.00 0.00 H new ATOM 0 HB ILE A 110 11.953 1.007 -4.053 1.00 0.00 H new ATOM 0 HG12 ILE A 110 14.679 -0.389 -3.859 1.00 0.00 H new ATOM 0 HG13 ILE A 110 13.666 -0.098 -2.459 1.00 0.00 H new ATOM 0 HG21 ILE A 110 12.836 -0.138 -6.112 1.00 0.00 H new ATOM 0 HG22 ILE A 110 12.763 1.631 -6.294 1.00 0.00 H new ATOM 0 HG23 ILE A 110 14.323 0.832 -5.985 1.00 0.00 H new ATOM 0 HD11 ILE A 110 13.427 -2.411 -3.247 1.00 0.00 H new ATOM 0 HD12 ILE A 110 11.889 -1.534 -3.429 1.00 0.00 H new ATOM 0 HD13 ILE A 110 12.918 -1.830 -4.851 1.00 0.00 H new ATOM 1821 N GLU A 111 14.169 4.022 -5.309 1.00 0.00 N ATOM 1822 CA GLU A 111 13.985 5.131 -6.285 1.00 0.00 C ATOM 1823 C GLU A 111 14.247 4.574 -7.722 1.00 0.00 C ATOM 1824 O GLU A 111 15.367 4.632 -8.243 1.00 0.00 O ATOM 1825 CB GLU A 111 14.940 6.290 -5.877 1.00 0.00 C ATOM 1826 CG GLU A 111 14.519 7.064 -4.604 1.00 0.00 C ATOM 1827 CD GLU A 111 13.818 8.397 -4.835 1.00 0.00 C ATOM 1828 OE1 GLU A 111 14.356 9.487 -4.672 1.00 0.00 O ATOM 1829 OE2 GLU A 111 12.521 8.243 -5.220 1.00 0.00 O ATOM 0 H GLU A 111 15.104 3.616 -5.338 1.00 0.00 H new ATOM 0 HA GLU A 111 12.971 5.531 -6.283 1.00 0.00 H new ATOM 0 HB2 GLU A 111 15.939 5.881 -5.722 1.00 0.00 H new ATOM 0 HB3 GLU A 111 15.009 6.994 -6.706 1.00 0.00 H new ATOM 0 HG2 GLU A 111 13.859 6.426 -4.016 1.00 0.00 H new ATOM 0 HG3 GLU A 111 15.409 7.244 -4.001 1.00 0.00 H new ATOM 1837 N GLY A 112 13.207 3.986 -8.347 1.00 0.00 N ATOM 1838 CA GLY A 112 13.330 3.322 -9.676 1.00 0.00 C ATOM 1839 C GLY A 112 14.144 2.007 -9.670 1.00 0.00 C ATOM 1840 O GLY A 112 13.691 0.993 -9.134 1.00 0.00 O ATOM 0 H GLY A 112 12.265 3.954 -7.957 1.00 0.00 H new ATOM 0 HA2 GLY A 112 12.330 3.112 -10.056 1.00 0.00 H new ATOM 0 HA3 GLY A 112 13.796 4.018 -10.373 1.00 0.00 H new ATOM 1844 N ASP A 113 15.357 2.048 -10.239 1.00 0.00 N ATOM 1845 CA ASP A 113 16.375 0.964 -10.065 1.00 0.00 C ATOM 1846 C ASP A 113 17.341 1.069 -8.828 1.00 0.00 C ATOM 1847 O ASP A 113 18.142 0.150 -8.627 1.00 0.00 O ATOM 1848 CB ASP A 113 17.160 0.805 -11.402 1.00 0.00 C ATOM 1849 CG ASP A 113 18.096 1.946 -11.837 1.00 0.00 C ATOM 1850 OD1 ASP A 113 18.036 3.093 -11.400 1.00 0.00 O ATOM 1851 OD2 ASP A 113 19.000 1.532 -12.773 1.00 0.00 O ATOM 0 H ASP A 113 15.673 2.818 -10.829 1.00 0.00 H new ATOM 0 HA ASP A 113 15.805 0.068 -9.821 1.00 0.00 H new ATOM 0 HB2 ASP A 113 17.755 -0.105 -11.332 1.00 0.00 H new ATOM 0 HB3 ASP A 113 16.432 0.650 -12.199 1.00 0.00 H new ATOM 1857 N GLU A 114 17.310 2.154 -8.028 1.00 0.00 N ATOM 1858 CA GLU A 114 18.261 2.373 -6.908 1.00 0.00 C ATOM 1859 C GLU A 114 17.618 2.083 -5.519 1.00 0.00 C ATOM 1860 O GLU A 114 16.479 2.463 -5.249 1.00 0.00 O ATOM 1861 CB GLU A 114 18.820 3.820 -6.969 1.00 0.00 C ATOM 1862 CG GLU A 114 19.772 4.099 -8.158 1.00 0.00 C ATOM 1863 CD GLU A 114 20.409 5.484 -8.145 1.00 0.00 C ATOM 1864 OE1 GLU A 114 21.601 5.686 -7.938 1.00 0.00 O ATOM 1865 OE2 GLU A 114 19.510 6.475 -8.402 1.00 0.00 O ATOM 0 H GLU A 114 16.628 2.905 -8.136 1.00 0.00 H new ATOM 0 HA GLU A 114 19.081 1.665 -7.024 1.00 0.00 H new ATOM 0 HB2 GLU A 114 17.983 4.516 -7.021 1.00 0.00 H new ATOM 0 HB3 GLU A 114 19.351 4.029 -6.040 1.00 0.00 H new ATOM 0 HG2 GLU A 114 20.563 3.349 -8.158 1.00 0.00 H new ATOM 0 HG3 GLU A 114 19.217 3.977 -9.088 1.00 0.00 H new ATOM 1873 N LEU A 115 18.388 1.446 -4.627 1.00 0.00 N ATOM 1874 CA LEU A 115 18.035 1.287 -3.191 1.00 0.00 C ATOM 1875 C LEU A 115 18.841 2.329 -2.352 1.00 0.00 C ATOM 1876 O LEU A 115 20.076 2.363 -2.375 1.00 0.00 O ATOM 1877 CB LEU A 115 18.342 -0.186 -2.822 1.00 0.00 C ATOM 1878 CG LEU A 115 18.084 -0.644 -1.365 1.00 0.00 C ATOM 1879 CD1 LEU A 115 16.611 -1.032 -1.160 1.00 0.00 C ATOM 1880 CD2 LEU A 115 18.987 -1.840 -1.024 1.00 0.00 C ATOM 0 H LEU A 115 19.282 1.020 -4.873 1.00 0.00 H new ATOM 0 HA LEU A 115 16.983 1.482 -2.981 1.00 0.00 H new ATOM 0 HB2 LEU A 115 17.753 -0.824 -3.481 1.00 0.00 H new ATOM 0 HB3 LEU A 115 19.391 -0.375 -3.050 1.00 0.00 H new ATOM 0 HG LEU A 115 18.316 0.189 -0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 115 16.459 -1.349 -0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 115 15.975 -0.173 -1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 115 16.353 -1.850 -1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 115 18.800 -2.156 0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 115 18.771 -2.665 -1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 115 20.032 -1.548 -1.129 1.00 0.00 H new ATOM 1892 N HIS A 116 18.124 3.180 -1.611 1.00 0.00 N ATOM 1893 CA HIS A 116 18.723 4.289 -0.824 1.00 0.00 C ATOM 1894 C HIS A 116 18.615 3.957 0.693 1.00 0.00 C ATOM 1895 O HIS A 116 17.516 3.774 1.230 1.00 0.00 O ATOM 1896 CB HIS A 116 17.993 5.610 -1.187 1.00 0.00 C ATOM 1897 CG HIS A 116 18.408 6.260 -2.510 1.00 0.00 C ATOM 1898 ND1 HIS A 116 18.146 5.725 -3.766 1.00 0.00 N ATOM 1899 CD2 HIS A 116 19.077 7.490 -2.627 1.00 0.00 C ATOM 1900 CE1 HIS A 116 18.712 6.700 -4.544 1.00 0.00 C ATOM 1901 NE2 HIS A 116 19.290 7.795 -3.959 1.00 0.00 N ATOM 0 H HIS A 116 17.108 3.128 -1.533 1.00 0.00 H new ATOM 0 HA HIS A 116 19.780 4.411 -1.061 1.00 0.00 H new ATOM 0 HB2 HIS A 116 16.921 5.413 -1.221 1.00 0.00 H new ATOM 0 HB3 HIS A 116 18.160 6.328 -0.384 1.00 0.00 H new ATOM 0 HD2 HIS A 116 19.381 8.109 -1.796 1.00 0.00 H new ATOM 0 HE1 HIS A 116 18.702 6.605 -5.620 1.00 0.00 H new ATOM 0 HE2 HIS A 116 19.746 8.603 -4.383 1.00 0.00 H new ATOM 1909 N LEU A 117 19.772 3.874 1.366 1.00 0.00 N ATOM 1910 CA LEU A 117 19.865 3.526 2.807 1.00 0.00 C ATOM 1911 C LEU A 117 20.408 4.741 3.620 1.00 0.00 C ATOM 1912 O LEU A 117 21.472 5.286 3.306 1.00 0.00 O ATOM 1913 CB LEU A 117 20.798 2.288 2.930 1.00 0.00 C ATOM 1914 CG LEU A 117 20.960 1.703 4.360 1.00 0.00 C ATOM 1915 CD1 LEU A 117 19.729 0.894 4.795 1.00 0.00 C ATOM 1916 CD2 LEU A 117 22.230 0.846 4.459 1.00 0.00 C ATOM 0 H LEU A 117 20.679 4.046 0.931 1.00 0.00 H new ATOM 0 HA LEU A 117 18.884 3.285 3.217 1.00 0.00 H new ATOM 0 HB2 LEU A 117 20.416 1.503 2.278 1.00 0.00 H new ATOM 0 HB3 LEU A 117 21.785 2.562 2.556 1.00 0.00 H new ATOM 0 HG LEU A 117 21.054 2.547 5.043 1.00 0.00 H new ATOM 0 HD11 LEU A 117 19.887 0.504 5.801 1.00 0.00 H new ATOM 0 HD12 LEU A 117 18.850 1.538 4.789 1.00 0.00 H new ATOM 0 HD13 LEU A 117 19.576 0.065 4.104 1.00 0.00 H new ATOM 0 HD21 LEU A 117 22.322 0.447 5.469 1.00 0.00 H new ATOM 0 HD22 LEU A 117 22.169 0.022 3.748 1.00 0.00 H new ATOM 0 HD23 LEU A 117 23.102 1.459 4.230 1.00 0.00 H new ATOM 1928 N GLU A 118 19.718 5.107 4.711 1.00 0.00 N ATOM 1929 CA GLU A 118 20.246 6.086 5.703 1.00 0.00 C ATOM 1930 C GLU A 118 20.373 5.411 7.103 1.00 0.00 C ATOM 1931 O GLU A 118 19.364 5.131 7.755 1.00 0.00 O ATOM 1932 CB GLU A 118 19.351 7.353 5.745 1.00 0.00 C ATOM 1933 CG GLU A 118 19.386 8.220 4.467 1.00 0.00 C ATOM 1934 CD GLU A 118 18.640 9.544 4.615 1.00 0.00 C ATOM 1935 OE1 GLU A 118 17.419 9.650 4.564 1.00 0.00 O ATOM 1936 OE2 GLU A 118 19.481 10.596 4.811 1.00 0.00 O ATOM 0 H GLU A 118 18.792 4.746 4.938 1.00 0.00 H new ATOM 0 HA GLU A 118 21.242 6.406 5.399 1.00 0.00 H new ATOM 0 HB2 GLU A 118 18.321 7.046 5.930 1.00 0.00 H new ATOM 0 HB3 GLU A 118 19.657 7.968 6.591 1.00 0.00 H new ATOM 0 HG2 GLU A 118 20.424 8.423 4.202 1.00 0.00 H new ATOM 0 HG3 GLU A 118 18.951 7.656 3.642 1.00 0.00 H new ATOM 1944 N MET A 119 21.609 5.150 7.563 1.00 0.00 N ATOM 1945 CA MET A 119 21.880 4.445 8.851 1.00 0.00 C ATOM 1946 C MET A 119 22.188 5.452 10.000 1.00 0.00 C ATOM 1947 O MET A 119 23.060 6.312 9.861 1.00 0.00 O ATOM 1948 CB MET A 119 23.062 3.458 8.689 1.00 0.00 C ATOM 1949 CG MET A 119 22.896 2.320 7.665 1.00 0.00 C ATOM 1950 SD MET A 119 24.280 1.162 7.773 1.00 0.00 S ATOM 1951 CE MET A 119 25.612 2.139 7.049 1.00 0.00 C ATOM 0 H MET A 119 22.455 5.417 7.060 1.00 0.00 H new ATOM 0 HA MET A 119 20.980 3.890 9.117 1.00 0.00 H new ATOM 0 HB2 MET A 119 23.946 4.033 8.414 1.00 0.00 H new ATOM 0 HB3 MET A 119 23.263 3.010 9.662 1.00 0.00 H new ATOM 0 HG2 MET A 119 21.959 1.794 7.847 1.00 0.00 H new ATOM 0 HG3 MET A 119 22.839 2.734 6.658 1.00 0.00 H new ATOM 0 HE1 MET A 119 26.475 1.499 6.867 1.00 0.00 H new ATOM 0 HE2 MET A 119 25.276 2.571 6.107 1.00 0.00 H new ATOM 0 HE3 MET A 119 25.891 2.938 7.735 1.00 0.00 H new ATOM 1961 N ARG A 120 21.480 5.343 11.134 1.00 0.00 N ATOM 1962 CA ARG A 120 21.477 6.386 12.203 1.00 0.00 C ATOM 1963 C ARG A 120 22.038 5.832 13.552 1.00 0.00 C ATOM 1964 O ARG A 120 21.657 4.735 13.973 1.00 0.00 O ATOM 1965 CB ARG A 120 20.014 6.874 12.399 1.00 0.00 C ATOM 1966 CG ARG A 120 19.334 7.550 11.174 1.00 0.00 C ATOM 1967 CD ARG A 120 17.812 7.740 11.335 1.00 0.00 C ATOM 1968 NE ARG A 120 17.089 6.448 11.171 1.00 0.00 N ATOM 1969 CZ ARG A 120 15.855 6.198 11.603 1.00 0.00 C ATOM 1970 NH1 ARG A 120 15.108 7.059 12.260 1.00 0.00 N ATOM 1971 NH2 ARG A 120 15.351 5.021 11.362 1.00 0.00 N ATOM 0 H ARG A 120 20.892 4.538 11.348 1.00 0.00 H new ATOM 0 HA ARG A 120 22.123 7.209 11.898 1.00 0.00 H new ATOM 0 HB2 ARG A 120 19.407 6.019 12.697 1.00 0.00 H new ATOM 0 HB3 ARG A 120 19.999 7.580 13.229 1.00 0.00 H new ATOM 0 HG2 ARG A 120 19.796 8.522 11.004 1.00 0.00 H new ATOM 0 HG3 ARG A 120 19.524 6.947 10.286 1.00 0.00 H new ATOM 0 HD2 ARG A 120 17.597 8.158 12.318 1.00 0.00 H new ATOM 0 HD3 ARG A 120 17.452 8.458 10.598 1.00 0.00 H new ATOM 0 HE ARG A 120 17.579 5.694 10.689 1.00 0.00 H new ATOM 0 HH11 ARG A 120 15.467 7.990 12.470 1.00 0.00 H new ATOM 0 HH12 ARG A 120 14.169 6.795 12.560 1.00 0.00 H new ATOM 0 HH21 ARG A 120 15.899 4.325 10.857 1.00 0.00 H new ATOM 0 HH22 ARG A 120 14.408 4.795 11.679 1.00 0.00 H new ATOM 1985 N ALA A 121 22.917 6.581 14.247 1.00 0.00 N ATOM 1986 CA ALA A 121 23.345 6.247 15.640 1.00 0.00 C ATOM 1987 C ALA A 121 23.944 7.484 16.364 1.00 0.00 C ATOM 1988 O ALA A 121 24.787 8.192 15.809 1.00 0.00 O ATOM 1989 CB ALA A 121 24.369 5.096 15.670 1.00 0.00 C ATOM 0 H ALA A 121 23.351 7.425 13.874 1.00 0.00 H new ATOM 0 HA ALA A 121 22.446 5.926 16.165 1.00 0.00 H new ATOM 0 HB1 ALA A 121 24.652 4.887 16.702 1.00 0.00 H new ATOM 0 HB2 ALA A 121 23.926 4.204 15.227 1.00 0.00 H new ATOM 0 HB3 ALA A 121 25.254 5.382 15.102 1.00 0.00 H new ATOM 1995 N GLU A 122 23.522 7.752 17.616 1.00 0.00 N ATOM 1996 CA GLU A 122 23.973 8.947 18.412 1.00 0.00 C ATOM 1997 C GLU A 122 23.689 10.349 17.746 1.00 0.00 C ATOM 1998 O GLU A 122 24.507 11.270 17.811 1.00 0.00 O ATOM 1999 CB GLU A 122 25.450 8.770 18.892 1.00 0.00 C ATOM 2000 CG GLU A 122 25.801 7.487 19.699 1.00 0.00 C ATOM 2001 CD GLU A 122 25.315 7.465 21.148 1.00 0.00 C ATOM 2002 OE1 GLU A 122 24.560 6.613 21.606 1.00 0.00 O ATOM 2003 OE2 GLU A 122 25.791 8.515 21.875 1.00 0.00 O ATOM 0 H GLU A 122 22.861 7.158 18.116 1.00 0.00 H new ATOM 0 HA GLU A 122 23.335 8.973 19.295 1.00 0.00 H new ATOM 0 HB2 GLU A 122 26.094 8.799 18.013 1.00 0.00 H new ATOM 0 HB3 GLU A 122 25.709 9.633 19.506 1.00 0.00 H new ATOM 0 HG2 GLU A 122 25.379 6.626 19.180 1.00 0.00 H new ATOM 0 HG3 GLU A 122 26.884 7.362 19.696 1.00 0.00 H new ATOM 2011 N GLY A 123 22.538 10.485 17.058 1.00 0.00 N ATOM 2012 CA GLY A 123 22.312 11.588 16.078 1.00 0.00 C ATOM 2013 C GLY A 123 23.028 11.573 14.697 1.00 0.00 C ATOM 2014 O GLY A 123 22.705 12.414 13.856 1.00 0.00 O ATOM 0 H GLY A 123 21.746 9.850 17.156 1.00 0.00 H new ATOM 0 HA2 GLY A 123 21.240 11.633 15.885 1.00 0.00 H new ATOM 0 HA3 GLY A 123 22.586 12.520 16.573 1.00 0.00 H new ATOM 2018 N VAL A 124 23.983 10.665 14.443 1.00 0.00 N ATOM 2019 CA VAL A 124 24.853 10.690 13.231 1.00 0.00 C ATOM 2020 C VAL A 124 24.218 9.811 12.107 1.00 0.00 C ATOM 2021 O VAL A 124 23.930 8.633 12.331 1.00 0.00 O ATOM 2022 CB VAL A 124 26.290 10.196 13.614 1.00 0.00 C ATOM 2023 CG1 VAL A 124 27.233 10.100 12.399 1.00 0.00 C ATOM 2024 CG2 VAL A 124 27.008 11.064 14.678 1.00 0.00 C ATOM 0 H VAL A 124 24.184 9.885 15.068 1.00 0.00 H new ATOM 0 HA VAL A 124 24.936 11.707 12.848 1.00 0.00 H new ATOM 0 HB VAL A 124 26.098 9.209 14.034 1.00 0.00 H new ATOM 0 HG11 VAL A 124 28.213 9.753 12.726 1.00 0.00 H new ATOM 0 HG12 VAL A 124 26.822 9.397 11.674 1.00 0.00 H new ATOM 0 HG13 VAL A 124 27.332 11.082 11.936 1.00 0.00 H new ATOM 0 HG21 VAL A 124 27.995 10.648 14.881 1.00 0.00 H new ATOM 0 HG22 VAL A 124 27.113 12.083 14.306 1.00 0.00 H new ATOM 0 HG23 VAL A 124 26.422 11.072 15.597 1.00 0.00 H new ATOM 2034 N THR A 125 24.063 10.370 10.893 1.00 0.00 N ATOM 2035 CA THR A 125 23.523 9.617 9.719 1.00 0.00 C ATOM 2036 C THR A 125 24.655 9.262 8.694 1.00 0.00 C ATOM 2037 O THR A 125 25.339 10.149 8.171 1.00 0.00 O ATOM 2038 CB THR A 125 22.346 10.417 9.084 1.00 0.00 C ATOM 2039 OG1 THR A 125 21.370 10.718 10.079 1.00 0.00 O ATOM 2040 CG2 THR A 125 21.585 9.661 7.982 1.00 0.00 C ATOM 0 H THR A 125 24.301 11.340 10.687 1.00 0.00 H new ATOM 0 HA THR A 125 23.126 8.659 10.054 1.00 0.00 H new ATOM 0 HB THR A 125 22.817 11.300 8.652 1.00 0.00 H new ATOM 0 HG1 THR A 125 20.634 11.222 9.673 1.00 0.00 H new ATOM 0 HG21 THR A 125 20.784 10.291 7.596 1.00 0.00 H new ATOM 0 HG22 THR A 125 22.271 9.410 7.173 1.00 0.00 H new ATOM 0 HG23 THR A 125 21.160 8.746 8.395 1.00 0.00 H new ATOM 2048 N CYS A 126 24.804 7.964 8.373 1.00 0.00 N ATOM 2049 CA CYS A 126 25.542 7.497 7.168 1.00 0.00 C ATOM 2050 C CYS A 126 24.572 7.246 5.974 1.00 0.00 C ATOM 2051 O CYS A 126 23.607 6.483 6.079 1.00 0.00 O ATOM 2052 CB CYS A 126 26.308 6.211 7.532 1.00 0.00 C ATOM 2053 SG CYS A 126 26.969 5.368 6.049 1.00 0.00 S ATOM 0 H CYS A 126 24.420 7.205 8.935 1.00 0.00 H new ATOM 0 HA CYS A 126 26.244 8.268 6.851 1.00 0.00 H new ATOM 0 HB2 CYS A 126 27.129 6.456 8.206 1.00 0.00 H new ATOM 0 HB3 CYS A 126 25.645 5.533 8.070 1.00 0.00 H new ATOM 0 HG CYS A 126 27.798 4.435 6.413 1.00 0.00 H new ATOM 2059 N LYS A 127 24.860 7.871 4.827 1.00 0.00 N ATOM 2060 CA LYS A 127 24.025 7.756 3.599 1.00 0.00 C ATOM 2061 C LYS A 127 24.719 6.796 2.583 1.00 0.00 C ATOM 2062 O LYS A 127 25.857 7.038 2.164 1.00 0.00 O ATOM 2063 CB LYS A 127 23.844 9.176 3.002 1.00 0.00 C ATOM 2064 CG LYS A 127 22.996 10.179 3.827 1.00 0.00 C ATOM 2065 CD LYS A 127 23.146 11.640 3.356 1.00 0.00 C ATOM 2066 CE LYS A 127 22.552 11.928 1.967 1.00 0.00 C ATOM 2067 NZ LYS A 127 22.886 13.310 1.574 1.00 0.00 N ATOM 0 H LYS A 127 25.675 8.473 4.711 1.00 0.00 H new ATOM 0 HA LYS A 127 23.045 7.340 3.832 1.00 0.00 H new ATOM 0 HB2 LYS A 127 24.833 9.610 2.852 1.00 0.00 H new ATOM 0 HB3 LYS A 127 23.388 9.075 2.017 1.00 0.00 H new ATOM 0 HG2 LYS A 127 21.946 9.892 3.767 1.00 0.00 H new ATOM 0 HG3 LYS A 127 23.285 10.112 4.876 1.00 0.00 H new ATOM 0 HD2 LYS A 127 22.667 12.294 4.085 1.00 0.00 H new ATOM 0 HD3 LYS A 127 24.205 11.898 3.345 1.00 0.00 H new ATOM 0 HE2 LYS A 127 22.948 11.223 1.236 1.00 0.00 H new ATOM 0 HE3 LYS A 127 21.470 11.794 1.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 22.430 13.533 0.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 22.547 13.970 2.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 23.917 13.403 1.475 1.00 0.00 H new ATOM 2080 N GLN A 128 24.042 5.705 2.190 1.00 0.00 N ATOM 2081 CA GLN A 128 24.593 4.706 1.229 1.00 0.00 C ATOM 2082 C GLN A 128 23.613 4.468 0.037 1.00 0.00 C ATOM 2083 O GLN A 128 22.405 4.287 0.230 1.00 0.00 O ATOM 2084 CB GLN A 128 24.919 3.380 1.967 1.00 0.00 C ATOM 2085 CG GLN A 128 26.059 3.474 3.019 1.00 0.00 C ATOM 2086 CD GLN A 128 26.752 2.175 3.449 1.00 0.00 C ATOM 2087 OE1 GLN A 128 27.970 2.111 3.550 1.00 0.00 O ATOM 2088 NE2 GLN A 128 26.044 1.111 3.744 1.00 0.00 N ATOM 0 H GLN A 128 23.103 5.482 2.520 1.00 0.00 H new ATOM 0 HA GLN A 128 25.518 5.102 0.810 1.00 0.00 H new ATOM 0 HB2 GLN A 128 24.015 3.027 2.464 1.00 0.00 H new ATOM 0 HB3 GLN A 128 25.190 2.627 1.227 1.00 0.00 H new ATOM 0 HG2 GLN A 128 26.822 4.145 2.625 1.00 0.00 H new ATOM 0 HG3 GLN A 128 25.650 3.946 3.913 1.00 0.00 H new ATOM 0 HE21 GLN A 128 25.027 1.138 3.668 1.00 0.00 H new ATOM 0 HE22 GLN A 128 26.510 0.257 4.049 1.00 0.00 H new ATOM 2097 N VAL A 129 24.146 4.456 -1.199 1.00 0.00 N ATOM 2098 CA VAL A 129 23.322 4.288 -2.438 1.00 0.00 C ATOM 2099 C VAL A 129 23.725 2.941 -3.123 1.00 0.00 C ATOM 2100 O VAL A 129 24.904 2.656 -3.354 1.00 0.00 O ATOM 2101 CB VAL A 129 23.434 5.521 -3.403 1.00 0.00 C ATOM 2102 CG1 VAL A 129 22.548 5.376 -4.666 1.00 0.00 C ATOM 2103 CG2 VAL A 129 23.030 6.866 -2.754 1.00 0.00 C ATOM 0 H VAL A 129 25.145 4.560 -1.379 1.00 0.00 H new ATOM 0 HA VAL A 129 22.267 4.244 -2.168 1.00 0.00 H new ATOM 0 HB VAL A 129 24.493 5.532 -3.660 1.00 0.00 H new ATOM 0 HG11 VAL A 129 22.666 6.257 -5.296 1.00 0.00 H new ATOM 0 HG12 VAL A 129 22.850 4.489 -5.223 1.00 0.00 H new ATOM 0 HG13 VAL A 129 21.504 5.279 -4.369 1.00 0.00 H new ATOM 0 HG21 VAL A 129 23.135 7.668 -3.484 1.00 0.00 H new ATOM 0 HG22 VAL A 129 21.994 6.812 -2.420 1.00 0.00 H new ATOM 0 HG23 VAL A 129 23.677 7.067 -1.900 1.00 0.00 H new ATOM 2113 N PHE A 130 22.713 2.139 -3.471 1.00 0.00 N ATOM 2114 CA PHE A 130 22.869 0.820 -4.139 1.00 0.00 C ATOM 2115 C PHE A 130 22.064 0.794 -5.479 1.00 0.00 C ATOM 2116 O PHE A 130 21.011 1.428 -5.583 1.00 0.00 O ATOM 2117 CB PHE A 130 22.334 -0.267 -3.163 1.00 0.00 C ATOM 2118 CG PHE A 130 23.247 -0.705 -2.010 1.00 0.00 C ATOM 2119 CD1 PHE A 130 23.358 0.070 -0.851 1.00 0.00 C ATOM 2120 CD2 PHE A 130 23.925 -1.924 -2.086 1.00 0.00 C ATOM 2121 CE1 PHE A 130 24.152 -0.362 0.208 1.00 0.00 C ATOM 2122 CE2 PHE A 130 24.716 -2.357 -1.027 1.00 0.00 C ATOM 2123 CZ PHE A 130 24.837 -1.573 0.118 1.00 0.00 C ATOM 0 H PHE A 130 21.738 2.384 -3.297 1.00 0.00 H new ATOM 0 HA PHE A 130 23.916 0.633 -4.378 1.00 0.00 H new ATOM 0 HB2 PHE A 130 21.402 0.099 -2.732 1.00 0.00 H new ATOM 0 HB3 PHE A 130 22.087 -1.152 -3.750 1.00 0.00 H new ATOM 0 HD1 PHE A 130 22.826 1.007 -0.777 1.00 0.00 H new ATOM 0 HD2 PHE A 130 23.834 -2.534 -2.973 1.00 0.00 H new ATOM 0 HE1 PHE A 130 24.237 0.241 1.100 1.00 0.00 H new ATOM 0 HE2 PHE A 130 25.236 -3.301 -1.092 1.00 0.00 H new ATOM 0 HZ PHE A 130 25.461 -1.903 0.935 1.00 0.00 H new ATOM 2133 N LYS A 131 22.511 0.029 -6.493 1.00 0.00 N ATOM 2134 CA LYS A 131 21.759 -0.140 -7.776 1.00 0.00 C ATOM 2135 C LYS A 131 21.463 -1.641 -8.092 1.00 0.00 C ATOM 2136 O LYS A 131 22.301 -2.524 -7.871 1.00 0.00 O ATOM 2137 CB LYS A 131 22.535 0.612 -8.887 1.00 0.00 C ATOM 2138 CG LYS A 131 21.815 0.674 -10.259 1.00 0.00 C ATOM 2139 CD LYS A 131 22.439 1.659 -11.268 1.00 0.00 C ATOM 2140 CE LYS A 131 21.929 3.102 -11.109 1.00 0.00 C ATOM 2141 NZ LYS A 131 22.610 3.990 -12.070 1.00 0.00 N ATOM 0 H LYS A 131 23.390 -0.488 -6.460 1.00 0.00 H new ATOM 0 HA LYS A 131 20.766 0.303 -7.700 1.00 0.00 H new ATOM 0 HB2 LYS A 131 22.729 1.630 -8.549 1.00 0.00 H new ATOM 0 HB3 LYS A 131 23.504 0.131 -9.023 1.00 0.00 H new ATOM 0 HG2 LYS A 131 21.813 -0.323 -10.699 1.00 0.00 H new ATOM 0 HG3 LYS A 131 20.774 0.953 -10.096 1.00 0.00 H new ATOM 0 HD2 LYS A 131 23.523 1.650 -11.151 1.00 0.00 H new ATOM 0 HD3 LYS A 131 22.225 1.315 -12.280 1.00 0.00 H new ATOM 0 HE2 LYS A 131 20.852 3.135 -11.272 1.00 0.00 H new ATOM 0 HE3 LYS A 131 22.108 3.449 -10.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 22.258 4.962 -11.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 23.635 3.970 -11.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 22.418 3.665 -13.039 1.00 0.00 H new ATOM 2154 N LYS A 132 20.258 -1.924 -8.628 1.00 0.00 N ATOM 2155 CA LYS A 132 19.796 -3.312 -8.900 1.00 0.00 C ATOM 2156 C LYS A 132 20.494 -3.966 -10.133 1.00 0.00 C ATOM 2157 O LYS A 132 20.422 -3.443 -11.250 1.00 0.00 O ATOM 2158 CB LYS A 132 18.253 -3.293 -9.089 1.00 0.00 C ATOM 2159 CG LYS A 132 17.576 -4.647 -8.780 1.00 0.00 C ATOM 2160 CD LYS A 132 16.038 -4.575 -8.843 1.00 0.00 C ATOM 2161 CE LYS A 132 15.399 -5.881 -8.354 1.00 0.00 C ATOM 2162 NZ LYS A 132 13.929 -5.775 -8.321 1.00 0.00 N ATOM 0 H LYS A 132 19.579 -1.208 -8.885 1.00 0.00 H new ATOM 0 HA LYS A 132 20.071 -3.929 -8.045 1.00 0.00 H new ATOM 0 HB2 LYS A 132 17.825 -2.526 -8.443 1.00 0.00 H new ATOM 0 HB3 LYS A 132 18.024 -3.008 -10.116 1.00 0.00 H new ATOM 0 HG2 LYS A 132 17.929 -5.395 -9.490 1.00 0.00 H new ATOM 0 HG3 LYS A 132 17.879 -4.981 -7.788 1.00 0.00 H new ATOM 0 HD2 LYS A 132 15.685 -3.744 -8.232 1.00 0.00 H new ATOM 0 HD3 LYS A 132 15.723 -4.374 -9.867 1.00 0.00 H new ATOM 0 HE2 LYS A 132 15.693 -6.701 -9.010 1.00 0.00 H new ATOM 0 HE3 LYS A 132 15.772 -6.121 -7.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 13.524 -6.672 -7.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 13.651 -5.008 -7.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 13.574 -5.570 -9.277 1.00 0.00 H new ATOM 2175 N VAL A 133 21.133 -5.126 -9.920 1.00 0.00 N ATOM 2176 CA VAL A 133 21.763 -5.930 -11.018 1.00 0.00 C ATOM 2177 C VAL A 133 20.977 -7.244 -11.353 1.00 0.00 C ATOM 2178 O VAL A 133 20.791 -7.534 -12.537 1.00 0.00 O ATOM 2179 CB VAL A 133 23.305 -6.126 -10.820 1.00 0.00 C ATOM 2180 CG1 VAL A 133 24.074 -4.785 -10.844 1.00 0.00 C ATOM 2181 CG2 VAL A 133 23.740 -6.906 -9.564 1.00 0.00 C ATOM 0 H VAL A 133 21.236 -5.544 -8.995 1.00 0.00 H new ATOM 0 HA VAL A 133 21.675 -5.330 -11.924 1.00 0.00 H new ATOM 0 HB VAL A 133 23.566 -6.746 -11.678 1.00 0.00 H new ATOM 0 HG11 VAL A 133 25.138 -4.973 -10.703 1.00 0.00 H new ATOM 0 HG12 VAL A 133 23.917 -4.293 -11.804 1.00 0.00 H new ATOM 0 HG13 VAL A 133 23.710 -4.142 -10.042 1.00 0.00 H new ATOM 0 HG21 VAL A 133 24.827 -6.976 -9.538 1.00 0.00 H new ATOM 0 HG22 VAL A 133 23.388 -6.386 -8.673 1.00 0.00 H new ATOM 0 HG23 VAL A 133 23.313 -7.908 -9.592 1.00 0.00 H new ATOM 2191 N HIS A 134 20.495 -8.021 -10.357 1.00 0.00 N ATOM 2192 CA HIS A 134 19.513 -9.113 -10.592 1.00 0.00 C ATOM 2193 C HIS A 134 18.110 -8.603 -10.179 1.00 0.00 C ATOM 2194 O HIS A 134 17.861 -8.385 -8.971 1.00 0.00 O ATOM 2195 CB HIS A 134 19.972 -10.386 -9.834 1.00 0.00 C ATOM 2196 CG HIS A 134 19.185 -11.652 -10.171 1.00 0.00 C ATOM 2197 ND1 HIS A 134 18.081 -12.089 -9.466 1.00 0.00 N ATOM 2198 CD2 HIS A 134 19.449 -12.531 -11.237 1.00 0.00 C ATOM 2199 CE1 HIS A 134 17.762 -13.208 -10.190 1.00 0.00 C ATOM 2200 NE2 HIS A 134 18.523 -13.565 -11.273 1.00 0.00 N ATOM 2201 OXT HIS A 134 17.254 -8.417 -11.073 1.00 0.00 O ATOM 0 H HIS A 134 20.768 -7.915 -9.380 1.00 0.00 H new ATOM 0 HA HIS A 134 19.455 -9.393 -11.644 1.00 0.00 H new ATOM 0 HB2 HIS A 134 21.026 -10.561 -10.052 1.00 0.00 H new ATOM 0 HB3 HIS A 134 19.895 -10.201 -8.763 1.00 0.00 H new ATOM 0 HD2 HIS A 134 20.265 -12.417 -11.936 1.00 0.00 H new ATOM 0 HE1 HIS A 134 16.910 -13.809 -9.907 1.00 0.00 H new ATOM 0 HE2 HIS A 134 18.435 -14.354 -11.913 1.00 0.00 H new