USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 620 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.104 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -40:sc= 0.475 USER MOD Single : A 12 ASN : amide:sc= -0.398 X(o=-0.4,f=-0.1) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.0079) USER MOD Single : A 25 SER OG : rot 180:sc= -0.0248 USER MOD Single : A 26 TYR OH : rot -1:sc= 0.771 USER MOD Single : A 30 THR OG1 : rot -63:sc= 1.22 USER MOD Single : A 31 SER OG : rot 180:sc=0.000233 USER MOD Single : A 33 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.07) USER MOD Single : A 36 GLN : amide:sc= -0.434 X(o=-0.43,f=-0.76) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 147:sc= 0.248 (180deg=0.00998) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 89:sc= 0.256 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -150:sc= -0.062 (180deg=-1.2) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -2.32 K(o=-2.3,f=-2.9!) USER MOD Single : A 68 LYS NZ :NH3+ -160:sc= -0.0103 (180deg=-0.178) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.295 -13.631 -27.789 1.00 13.64 N ATOM 2 CA GLY A 1 -14.016 -13.334 -29.059 1.00 13.19 C ATOM 3 C GLY A 1 -13.234 -12.287 -29.860 1.00 12.36 C ATOM 4 O GLY A 1 -12.383 -11.590 -29.308 1.00 12.08 O ATOM 0 H1 GLY A 1 -12.928 -14.604 -27.818 1.00 13.64 H new ATOM 0 H2 GLY A 1 -12.504 -12.966 -27.675 1.00 13.64 H new ATOM 0 H3 GLY A 1 -13.949 -13.531 -26.987 1.00 13.64 H new ATOM 0 HA2 GLY A 1 -14.130 -14.245 -29.646 1.00 13.19 H new ATOM 0 HA3 GLY A 1 -15.019 -12.967 -28.842 1.00 13.19 H new ATOM 10 N PRO A 2 -13.510 -12.159 -31.170 1.00 12.13 N ATOM 11 CA PRO A 2 -12.810 -11.181 -32.021 1.00 11.53 C ATOM 12 C PRO A 2 -13.405 -9.778 -31.912 1.00 10.87 C ATOM 13 O PRO A 2 -14.530 -9.531 -32.344 1.00 11.06 O ATOM 14 CB PRO A 2 -13.024 -11.752 -33.416 1.00 11.92 C ATOM 15 CG PRO A 2 -14.274 -12.624 -33.357 1.00 12.50 C ATOM 16 CD PRO A 2 -14.523 -12.971 -31.885 1.00 12.69 C ATOM 0 HA PRO A 2 -11.764 -11.055 -31.743 1.00 11.53 H new ATOM 0 HB2 PRO A 2 -13.147 -10.951 -34.145 1.00 11.92 H new ATOM 0 HB3 PRO A 2 -12.160 -12.338 -33.729 1.00 11.92 H new ATOM 0 HG2 PRO A 2 -15.130 -12.096 -33.777 1.00 12.50 H new ATOM 0 HG3 PRO A 2 -14.138 -13.530 -33.947 1.00 12.50 H new ATOM 0 HD2 PRO A 2 -15.536 -12.714 -31.576 1.00 12.69 H new ATOM 0 HD3 PRO A 2 -14.393 -14.036 -31.695 1.00 12.69 H new ATOM 24 N ALA A 3 -12.632 -8.864 -31.330 1.00 10.31 N ATOM 25 CA ALA A 3 -13.086 -7.483 -31.167 1.00 9.88 C ATOM 26 C ALA A 3 -14.347 -7.432 -30.311 1.00 8.87 C ATOM 27 O ALA A 3 -14.845 -8.459 -29.850 1.00 8.87 O ATOM 28 CB ALA A 3 -13.381 -6.848 -32.528 1.00 10.41 C ATOM 0 H ALA A 3 -11.697 -9.051 -30.966 1.00 10.31 H new ATOM 0 HA ALA A 3 -12.289 -6.926 -30.674 1.00 9.88 H new ATOM 0 HB1 ALA A 3 -13.717 -5.821 -32.385 1.00 10.41 H new ATOM 0 HB2 ALA A 3 -12.476 -6.852 -33.135 1.00 10.41 H new ATOM 0 HB3 ALA A 3 -14.160 -7.418 -33.034 1.00 10.41 H new ATOM 34 N SER A 4 -14.860 -6.221 -30.105 1.00 8.23 N ATOM 35 CA SER A 4 -16.068 -6.038 -29.302 1.00 7.43 C ATOM 36 C SER A 4 -15.848 -6.546 -27.880 1.00 6.45 C ATOM 37 O SER A 4 -16.179 -7.686 -27.553 1.00 6.46 O ATOM 38 CB SER A 4 -17.245 -6.791 -29.924 1.00 7.71 C ATOM 39 OG SER A 4 -18.463 -6.235 -29.445 1.00 8.01 O ATOM 0 H SER A 4 -14.463 -5.359 -30.479 1.00 8.23 H new ATOM 0 HA SER A 4 -16.293 -4.972 -29.275 1.00 7.43 H new ATOM 0 HB2 SER A 4 -17.203 -6.722 -31.011 1.00 7.71 H new ATOM 0 HB3 SER A 4 -17.190 -7.849 -29.670 1.00 7.71 H new ATOM 0 HG SER A 4 -19.220 -6.714 -29.843 1.00 8.01 H new ATOM 45 N VAL A 5 -15.284 -5.684 -27.036 1.00 5.93 N ATOM 46 CA VAL A 5 -15.021 -6.056 -25.648 1.00 5.29 C ATOM 47 C VAL A 5 -16.305 -5.934 -24.815 1.00 4.34 C ATOM 48 O VAL A 5 -17.070 -4.986 -24.993 1.00 4.23 O ATOM 49 CB VAL A 5 -13.948 -5.144 -25.046 1.00 5.68 C ATOM 50 CG1 VAL A 5 -13.557 -5.656 -23.658 1.00 5.89 C ATOM 51 CG2 VAL A 5 -12.713 -5.143 -25.951 1.00 6.25 C ATOM 0 H VAL A 5 -15.004 -4.735 -27.285 1.00 5.93 H new ATOM 0 HA VAL A 5 -14.671 -7.088 -25.632 1.00 5.29 H new ATOM 0 HB VAL A 5 -14.342 -4.131 -24.962 1.00 5.68 H new ATOM 0 HG11 VAL A 5 -12.793 -5.005 -23.232 1.00 5.89 H new ATOM 0 HG12 VAL A 5 -14.434 -5.658 -23.011 1.00 5.89 H new ATOM 0 HG13 VAL A 5 -13.165 -6.670 -23.741 1.00 5.89 H new ATOM 0 HG21 VAL A 5 -11.949 -4.494 -25.523 1.00 6.25 H new ATOM 0 HG22 VAL A 5 -12.322 -6.157 -26.035 1.00 6.25 H new ATOM 0 HG23 VAL A 5 -12.987 -4.777 -26.940 1.00 6.25 H new ATOM 61 N PRO A 6 -16.568 -6.881 -23.894 1.00 4.14 N ATOM 62 CA PRO A 6 -17.781 -6.832 -23.058 1.00 3.76 C ATOM 63 C PRO A 6 -17.629 -5.915 -21.843 1.00 3.28 C ATOM 64 O PRO A 6 -18.250 -4.854 -21.771 1.00 3.74 O ATOM 65 CB PRO A 6 -17.941 -8.288 -22.632 1.00 4.55 C ATOM 66 CG PRO A 6 -16.565 -8.941 -22.731 1.00 5.11 C ATOM 67 CD PRO A 6 -15.696 -8.050 -23.625 1.00 4.91 C ATOM 0 HA PRO A 6 -18.640 -6.424 -23.590 1.00 3.76 H new ATOM 0 HB2 PRO A 6 -18.324 -8.351 -21.614 1.00 4.55 H new ATOM 0 HB3 PRO A 6 -18.657 -8.800 -23.274 1.00 4.55 H new ATOM 0 HG2 PRO A 6 -16.118 -9.045 -21.742 1.00 5.11 H new ATOM 0 HG3 PRO A 6 -16.646 -9.944 -23.151 1.00 5.11 H new ATOM 0 HD2 PRO A 6 -14.773 -7.757 -23.125 1.00 4.91 H new ATOM 0 HD3 PRO A 6 -15.411 -8.560 -24.546 1.00 4.91 H new ATOM 75 N THR A 7 -16.799 -6.333 -20.890 1.00 2.95 N ATOM 76 CA THR A 7 -16.579 -5.539 -19.685 1.00 3.10 C ATOM 77 C THR A 7 -15.333 -6.019 -18.948 1.00 2.71 C ATOM 78 O THR A 7 -15.239 -7.180 -18.548 1.00 3.34 O ATOM 79 CB THR A 7 -17.786 -5.646 -18.750 1.00 4.00 C ATOM 80 OG1 THR A 7 -17.509 -4.955 -17.540 1.00 4.61 O ATOM 81 CG2 THR A 7 -18.073 -7.117 -18.445 1.00 4.67 C ATOM 0 H THR A 7 -16.274 -7.206 -20.928 1.00 2.95 H new ATOM 0 HA THR A 7 -16.442 -4.500 -19.986 1.00 3.10 H new ATOM 0 HB THR A 7 -18.657 -5.202 -19.232 1.00 4.00 H new ATOM 0 HG1 THR A 7 -18.282 -5.021 -16.941 1.00 4.61 H new ATOM 0 HG21 THR A 7 -18.933 -7.189 -17.779 1.00 4.67 H new ATOM 0 HG22 THR A 7 -18.288 -7.646 -19.374 1.00 4.67 H new ATOM 0 HG23 THR A 7 -17.203 -7.565 -17.965 1.00 4.67 H new ATOM 89 N THR A 8 -14.377 -5.112 -18.773 1.00 2.31 N ATOM 90 CA THR A 8 -13.136 -5.452 -18.081 1.00 2.57 C ATOM 91 C THR A 8 -12.394 -4.187 -17.658 1.00 2.19 C ATOM 92 O THR A 8 -11.979 -3.384 -18.492 1.00 2.24 O ATOM 93 CB THR A 8 -12.226 -6.280 -18.992 1.00 3.29 C ATOM 94 OG1 THR A 8 -12.981 -7.328 -19.586 1.00 3.87 O ATOM 95 CG2 THR A 8 -11.083 -6.877 -18.169 1.00 3.77 C ATOM 0 H THR A 8 -14.435 -4.146 -19.096 1.00 2.31 H new ATOM 0 HA THR A 8 -13.394 -6.034 -17.196 1.00 2.57 H new ATOM 0 HB THR A 8 -11.813 -5.640 -19.772 1.00 3.29 H new ATOM 0 HG1 THR A 8 -13.600 -7.701 -18.924 1.00 3.87 H new ATOM 0 HG21 THR A 8 -10.436 -7.466 -18.819 1.00 3.77 H new ATOM 0 HG22 THR A 8 -10.505 -6.073 -17.713 1.00 3.77 H new ATOM 0 HG23 THR A 8 -11.493 -7.517 -17.388 1.00 3.77 H new ATOM 103 N CYS A 9 -12.231 -4.023 -16.348 1.00 2.05 N ATOM 104 CA CYS A 9 -11.535 -2.855 -15.817 1.00 1.84 C ATOM 105 C CYS A 9 -10.165 -3.254 -15.283 1.00 1.86 C ATOM 106 O CYS A 9 -9.142 -2.684 -15.663 1.00 2.40 O ATOM 107 CB CYS A 9 -12.354 -2.207 -14.699 1.00 1.97 C ATOM 108 SG CYS A 9 -13.820 -1.429 -15.422 1.00 2.39 S ATOM 0 H CYS A 9 -12.567 -4.677 -15.641 1.00 2.05 H new ATOM 0 HA CYS A 9 -11.408 -2.135 -16.626 1.00 1.84 H new ATOM 0 HB2 CYS A 9 -12.649 -2.957 -13.964 1.00 1.97 H new ATOM 0 HB3 CYS A 9 -11.753 -1.464 -14.174 1.00 1.97 H new ATOM 113 N CYS A 10 -10.159 -4.256 -14.407 1.00 1.73 N ATOM 114 CA CYS A 10 -8.911 -4.753 -13.828 1.00 1.73 C ATOM 115 C CYS A 10 -9.204 -5.877 -12.837 1.00 1.76 C ATOM 116 O CYS A 10 -9.191 -5.675 -11.622 1.00 2.04 O ATOM 117 CB CYS A 10 -8.144 -3.629 -13.106 1.00 1.70 C ATOM 118 SG CYS A 10 -6.716 -3.102 -14.097 1.00 2.06 S ATOM 0 H CYS A 10 -10.998 -4.738 -14.083 1.00 1.73 H new ATOM 0 HA CYS A 10 -8.293 -5.129 -14.643 1.00 1.73 H new ATOM 0 HB2 CYS A 10 -8.807 -2.781 -12.931 1.00 1.70 H new ATOM 0 HB3 CYS A 10 -7.809 -3.978 -12.129 1.00 1.70 H new ATOM 123 N PHE A 11 -9.461 -7.066 -13.370 1.00 1.84 N ATOM 124 CA PHE A 11 -9.749 -8.219 -12.526 1.00 1.87 C ATOM 125 C PHE A 11 -8.502 -9.082 -12.383 1.00 1.89 C ATOM 126 O PHE A 11 -7.540 -8.933 -13.136 1.00 2.03 O ATOM 127 CB PHE A 11 -10.891 -9.042 -13.120 1.00 2.02 C ATOM 128 CG PHE A 11 -12.130 -8.181 -13.162 1.00 2.03 C ATOM 129 CD1 PHE A 11 -12.929 -8.052 -12.019 1.00 2.39 C ATOM 130 CD2 PHE A 11 -12.470 -7.497 -14.334 1.00 2.35 C ATOM 131 CE1 PHE A 11 -14.068 -7.241 -12.050 1.00 2.43 C ATOM 132 CE2 PHE A 11 -13.608 -6.684 -14.365 1.00 2.43 C ATOM 133 CZ PHE A 11 -14.408 -6.557 -13.223 1.00 2.16 C ATOM 0 H PHE A 11 -9.476 -7.256 -14.372 1.00 1.84 H new ATOM 0 HA PHE A 11 -10.052 -7.865 -11.541 1.00 1.87 H new ATOM 0 HB2 PHE A 11 -10.632 -9.382 -14.123 1.00 2.02 H new ATOM 0 HB3 PHE A 11 -11.069 -9.933 -12.518 1.00 2.02 H new ATOM 0 HD1 PHE A 11 -12.666 -8.579 -11.114 1.00 2.39 H new ATOM 0 HD2 PHE A 11 -11.854 -7.597 -15.215 1.00 2.35 H new ATOM 0 HE1 PHE A 11 -14.685 -7.142 -11.169 1.00 2.43 H new ATOM 0 HE2 PHE A 11 -13.869 -6.155 -15.269 1.00 2.43 H new ATOM 0 HZ PHE A 11 -15.288 -5.931 -13.247 1.00 2.16 H new ATOM 143 N ASN A 12 -8.512 -9.969 -11.390 1.00 1.97 N ATOM 144 CA ASN A 12 -7.356 -10.830 -11.142 1.00 2.02 C ATOM 145 C ASN A 12 -6.159 -9.963 -10.754 1.00 1.88 C ATOM 146 O ASN A 12 -5.162 -9.879 -11.472 1.00 1.90 O ATOM 147 CB ASN A 12 -7.010 -11.659 -12.385 1.00 2.19 C ATOM 148 CG ASN A 12 -6.397 -12.988 -11.957 1.00 2.61 C ATOM 149 OD1 ASN A 12 -5.305 -13.347 -12.399 1.00 3.12 O ATOM 150 ND2 ASN A 12 -7.040 -13.747 -11.112 1.00 3.11 N ATOM 0 H ASN A 12 -9.295 -10.110 -10.752 1.00 1.97 H new ATOM 0 HA ASN A 12 -7.600 -11.517 -10.332 1.00 2.02 H new ATOM 0 HB2 ASN A 12 -7.907 -11.835 -12.979 1.00 2.19 H new ATOM 0 HB3 ASN A 12 -6.311 -11.111 -13.017 1.00 2.19 H new ATOM 0 HD21 ASN A 12 -6.638 -14.637 -10.818 1.00 3.11 H new ATOM 0 HD22 ASN A 12 -7.944 -13.450 -10.746 1.00 3.11 H new ATOM 157 N LEU A 13 -6.289 -9.303 -9.603 1.00 1.77 N ATOM 158 CA LEU A 13 -5.238 -8.414 -9.099 1.00 1.64 C ATOM 159 C LEU A 13 -3.890 -9.128 -9.043 1.00 1.72 C ATOM 160 O LEU A 13 -3.808 -10.318 -8.737 1.00 1.94 O ATOM 161 CB LEU A 13 -5.600 -7.911 -7.701 1.00 1.56 C ATOM 162 CG LEU A 13 -6.918 -7.136 -7.767 1.00 1.51 C ATOM 163 CD1 LEU A 13 -7.599 -7.171 -6.399 1.00 1.49 C ATOM 164 CD2 LEU A 13 -6.638 -5.684 -8.160 1.00 1.39 C ATOM 0 H LEU A 13 -7.110 -9.366 -9.001 1.00 1.77 H new ATOM 0 HA LEU A 13 -5.158 -7.571 -9.786 1.00 1.64 H new ATOM 0 HB2 LEU A 13 -5.693 -8.751 -7.013 1.00 1.56 H new ATOM 0 HB3 LEU A 13 -4.807 -7.270 -7.316 1.00 1.56 H new ATOM 0 HG LEU A 13 -7.571 -7.594 -8.510 1.00 1.51 H new ATOM 0 HD11 LEU A 13 -8.538 -6.619 -6.446 1.00 1.49 H new ATOM 0 HD12 LEU A 13 -7.800 -8.205 -6.119 1.00 1.49 H new ATOM 0 HD13 LEU A 13 -6.946 -6.714 -5.656 1.00 1.49 H new ATOM 0 HD21 LEU A 13 -7.577 -5.132 -8.207 1.00 1.39 H new ATOM 0 HD22 LEU A 13 -5.985 -5.226 -7.418 1.00 1.39 H new ATOM 0 HD23 LEU A 13 -6.153 -5.658 -9.136 1.00 1.39 H new ATOM 176 N ALA A 14 -2.834 -8.379 -9.353 1.00 1.59 N ATOM 177 CA ALA A 14 -1.483 -8.932 -9.348 1.00 1.66 C ATOM 178 C ALA A 14 -1.125 -9.482 -7.970 1.00 1.65 C ATOM 179 O ALA A 14 -1.429 -8.875 -6.944 1.00 1.57 O ATOM 180 CB ALA A 14 -0.470 -7.850 -9.736 1.00 1.59 C ATOM 0 H ALA A 14 -2.888 -7.393 -9.609 1.00 1.59 H new ATOM 0 HA ALA A 14 -1.450 -9.745 -10.073 1.00 1.66 H new ATOM 0 HB1 ALA A 14 0.535 -8.273 -9.729 1.00 1.59 H new ATOM 0 HB2 ALA A 14 -0.700 -7.477 -10.734 1.00 1.59 H new ATOM 0 HB3 ALA A 14 -0.523 -7.029 -9.021 1.00 1.59 H new ATOM 186 N ASN A 15 -0.470 -10.639 -7.964 1.00 1.79 N ATOM 187 CA ASN A 15 -0.065 -11.267 -6.712 1.00 1.82 C ATOM 188 C ASN A 15 1.437 -11.102 -6.505 1.00 1.80 C ATOM 189 O ASN A 15 1.912 -10.958 -5.379 1.00 1.76 O ATOM 190 CB ASN A 15 -0.409 -12.758 -6.721 1.00 2.04 C ATOM 191 CG ASN A 15 -0.511 -13.266 -5.288 1.00 2.36 C ATOM 192 OD1 ASN A 15 -1.526 -13.065 -4.622 1.00 2.95 O ATOM 193 ND2 ASN A 15 0.492 -13.920 -4.768 1.00 2.78 N ATOM 0 H ASN A 15 -0.210 -11.156 -8.804 1.00 1.79 H new ATOM 0 HA ASN A 15 -0.603 -10.781 -5.898 1.00 1.82 H new ATOM 0 HB2 ASN A 15 -1.351 -12.921 -7.244 1.00 2.04 H new ATOM 0 HB3 ASN A 15 0.356 -13.315 -7.262 1.00 2.04 H new ATOM 0 HD21 ASN A 15 0.434 -14.264 -3.810 1.00 2.78 H new ATOM 0 HD22 ASN A 15 1.333 -14.087 -5.320 1.00 2.78 H new ATOM 200 N ARG A 16 2.177 -11.120 -7.610 1.00 1.88 N ATOM 201 CA ARG A 16 3.626 -10.966 -7.547 1.00 1.89 C ATOM 202 C ARG A 16 3.991 -9.494 -7.393 1.00 1.70 C ATOM 203 O ARG A 16 3.545 -8.645 -8.164 1.00 1.66 O ATOM 204 CB ARG A 16 4.280 -11.513 -8.817 1.00 2.03 C ATOM 205 CG ARG A 16 5.780 -11.702 -8.579 1.00 2.27 C ATOM 206 CD ARG A 16 6.537 -11.501 -9.894 1.00 2.52 C ATOM 207 NE ARG A 16 5.970 -12.342 -10.952 1.00 3.05 N ATOM 208 CZ ARG A 16 6.416 -12.297 -12.216 1.00 3.51 C ATOM 209 NH1 ARG A 16 7.389 -11.489 -12.565 1.00 3.65 N ATOM 210 NH2 ARG A 16 5.870 -13.070 -13.115 1.00 4.27 N ATOM 0 H ARG A 16 1.801 -11.238 -8.551 1.00 1.88 H new ATOM 0 HA ARG A 16 3.990 -11.526 -6.686 1.00 1.89 H new ATOM 0 HB2 ARG A 16 3.823 -12.463 -9.094 1.00 2.03 H new ATOM 0 HB3 ARG A 16 4.117 -10.826 -9.648 1.00 2.03 H new ATOM 0 HG2 ARG A 16 6.133 -10.991 -7.832 1.00 2.27 H new ATOM 0 HG3 ARG A 16 5.973 -12.700 -8.185 1.00 2.27 H new ATOM 0 HD2 ARG A 16 6.489 -10.453 -10.191 1.00 2.52 H new ATOM 0 HD3 ARG A 16 7.590 -11.745 -9.754 1.00 2.52 H new ATOM 0 HE ARG A 16 5.211 -12.983 -10.719 1.00 3.05 H new ATOM 0 HH11 ARG A 16 7.821 -10.880 -11.870 1.00 3.65 H new ATOM 0 HH12 ARG A 16 7.714 -11.470 -13.532 1.00 3.65 H new ATOM 0 HH21 ARG A 16 5.112 -13.700 -12.853 1.00 4.27 H new ATOM 0 HH22 ARG A 16 6.201 -13.044 -14.079 1.00 4.27 H new ATOM 224 N LYS A 17 4.804 -9.200 -6.383 1.00 1.67 N ATOM 225 CA LYS A 17 5.221 -7.825 -6.129 1.00 1.53 C ATOM 226 C LYS A 17 5.998 -7.269 -7.320 1.00 1.51 C ATOM 227 O LYS A 17 6.930 -7.897 -7.821 1.00 1.61 O ATOM 228 CB LYS A 17 6.101 -7.754 -4.880 1.00 1.59 C ATOM 229 CG LYS A 17 5.336 -8.316 -3.679 1.00 1.98 C ATOM 230 CD LYS A 17 6.328 -8.760 -2.603 1.00 2.07 C ATOM 231 CE LYS A 17 5.753 -9.954 -1.839 1.00 2.71 C ATOM 232 NZ LYS A 17 4.895 -9.465 -0.723 1.00 3.18 N ATOM 0 H LYS A 17 5.184 -9.888 -5.733 1.00 1.67 H new ATOM 0 HA LYS A 17 4.323 -7.227 -5.974 1.00 1.53 H new ATOM 0 HB2 LYS A 17 7.019 -8.321 -5.037 1.00 1.59 H new ATOM 0 HB3 LYS A 17 6.393 -6.722 -4.687 1.00 1.59 H new ATOM 0 HG2 LYS A 17 4.662 -7.559 -3.277 1.00 1.98 H new ATOM 0 HG3 LYS A 17 4.719 -9.159 -3.990 1.00 1.98 H new ATOM 0 HD2 LYS A 17 7.279 -9.032 -3.060 1.00 2.07 H new ATOM 0 HD3 LYS A 17 6.528 -7.938 -1.916 1.00 2.07 H new ATOM 0 HE2 LYS A 17 5.169 -10.583 -2.512 1.00 2.71 H new ATOM 0 HE3 LYS A 17 6.561 -10.571 -1.447 1.00 2.71 H new ATOM 0 HZ1 LYS A 17 4.504 -10.277 -0.204 1.00 3.18 H new ATOM 0 HZ2 LYS A 17 5.465 -8.883 -0.077 1.00 3.18 H new ATOM 0 HZ3 LYS A 17 4.116 -8.894 -1.109 1.00 3.18 H new ATOM 246 N ILE A 18 5.600 -6.079 -7.760 1.00 1.40 N ATOM 247 CA ILE A 18 6.258 -5.430 -8.891 1.00 1.41 C ATOM 248 C ILE A 18 7.418 -4.556 -8.388 1.00 1.34 C ATOM 249 O ILE A 18 7.289 -3.898 -7.355 1.00 1.25 O ATOM 250 CB ILE A 18 5.249 -4.556 -9.648 1.00 1.35 C ATOM 251 CG1 ILE A 18 4.059 -5.420 -10.077 1.00 1.44 C ATOM 252 CG2 ILE A 18 5.908 -3.949 -10.890 1.00 1.42 C ATOM 253 CD1 ILE A 18 2.980 -4.538 -10.712 1.00 1.39 C ATOM 0 H ILE A 18 4.830 -5.547 -7.354 1.00 1.40 H new ATOM 0 HA ILE A 18 6.648 -6.195 -9.562 1.00 1.41 H new ATOM 0 HB ILE A 18 4.910 -3.751 -8.996 1.00 1.35 H new ATOM 0 HG12 ILE A 18 4.386 -6.179 -10.788 1.00 1.44 H new ATOM 0 HG13 ILE A 18 3.650 -5.946 -9.214 1.00 1.44 H new ATOM 0 HG21 ILE A 18 5.184 -3.331 -11.420 1.00 1.42 H new ATOM 0 HG22 ILE A 18 6.757 -3.336 -10.588 1.00 1.42 H new ATOM 0 HG23 ILE A 18 6.253 -4.748 -11.546 1.00 1.42 H new ATOM 0 HD11 ILE A 18 2.136 -5.157 -11.015 1.00 1.39 H new ATOM 0 HD12 ILE A 18 2.644 -3.796 -9.988 1.00 1.39 H new ATOM 0 HD13 ILE A 18 3.391 -4.032 -11.586 1.00 1.39 H new ATOM 265 N PRO A 19 8.566 -4.535 -9.092 1.00 1.42 N ATOM 266 CA PRO A 19 9.719 -3.723 -8.659 1.00 1.41 C ATOM 267 C PRO A 19 9.553 -2.237 -8.959 1.00 1.34 C ATOM 268 O PRO A 19 8.800 -1.842 -9.848 1.00 1.33 O ATOM 269 CB PRO A 19 10.869 -4.319 -9.456 1.00 1.55 C ATOM 270 CG PRO A 19 10.261 -4.998 -10.677 1.00 1.63 C ATOM 271 CD PRO A 19 8.795 -5.298 -10.344 1.00 1.56 C ATOM 0 HA PRO A 19 9.862 -3.757 -7.579 1.00 1.41 H new ATOM 0 HB2 PRO A 19 11.573 -3.543 -9.757 1.00 1.55 H new ATOM 0 HB3 PRO A 19 11.425 -5.037 -8.853 1.00 1.55 H new ATOM 0 HG2 PRO A 19 10.333 -4.352 -11.552 1.00 1.63 H new ATOM 0 HG3 PRO A 19 10.798 -5.917 -10.914 1.00 1.63 H new ATOM 0 HD2 PRO A 19 8.127 -4.973 -11.141 1.00 1.56 H new ATOM 0 HD3 PRO A 19 8.625 -6.365 -10.201 1.00 1.56 H new ATOM 279 N LEU A 20 10.266 -1.423 -8.187 1.00 1.32 N ATOM 280 CA LEU A 20 10.202 0.028 -8.346 1.00 1.31 C ATOM 281 C LEU A 20 11.087 0.498 -9.495 1.00 1.40 C ATOM 282 O LEU A 20 10.670 1.297 -10.334 1.00 1.43 O ATOM 283 CB LEU A 20 10.653 0.723 -7.058 1.00 1.31 C ATOM 284 CG LEU A 20 9.855 0.176 -5.873 1.00 1.26 C ATOM 285 CD1 LEU A 20 10.406 0.764 -4.572 1.00 1.32 C ATOM 286 CD2 LEU A 20 8.382 0.565 -6.025 1.00 1.19 C ATOM 0 H LEU A 20 10.893 -1.740 -7.448 1.00 1.32 H new ATOM 0 HA LEU A 20 9.167 0.288 -8.567 1.00 1.31 H new ATOM 0 HB2 LEU A 20 11.719 0.559 -6.898 1.00 1.31 H new ATOM 0 HB3 LEU A 20 10.505 1.800 -7.143 1.00 1.31 H new ATOM 0 HG LEU A 20 9.943 -0.910 -5.847 1.00 1.26 H new ATOM 0 HD11 LEU A 20 9.838 0.375 -3.727 1.00 1.32 H new ATOM 0 HD12 LEU A 20 11.454 0.487 -4.463 1.00 1.32 H new ATOM 0 HD13 LEU A 20 10.319 1.850 -4.598 1.00 1.32 H new ATOM 0 HD21 LEU A 20 7.814 0.175 -5.181 1.00 1.19 H new ATOM 0 HD22 LEU A 20 8.293 1.651 -6.052 1.00 1.19 H new ATOM 0 HD23 LEU A 20 7.989 0.146 -6.951 1.00 1.19 H new ATOM 298 N GLN A 21 12.320 0.002 -9.515 1.00 1.48 N ATOM 299 CA GLN A 21 13.277 0.384 -10.557 1.00 1.59 C ATOM 300 C GLN A 21 12.719 0.110 -11.952 1.00 1.61 C ATOM 301 O GLN A 21 13.065 0.791 -12.918 1.00 1.69 O ATOM 302 CB GLN A 21 14.587 -0.389 -10.386 1.00 1.68 C ATOM 303 CG GLN A 21 15.661 0.220 -11.288 1.00 1.78 C ATOM 304 CD GLN A 21 16.981 -0.511 -11.072 1.00 1.91 C ATOM 305 OE1 GLN A 21 17.489 -0.573 -9.952 1.00 2.31 O ATOM 306 NE2 GLN A 21 17.575 -1.076 -12.088 1.00 2.28 N ATOM 0 H GLN A 21 12.682 -0.660 -8.829 1.00 1.48 H new ATOM 0 HA GLN A 21 13.461 1.453 -10.454 1.00 1.59 H new ATOM 0 HB2 GLN A 21 14.909 -0.354 -9.345 1.00 1.68 H new ATOM 0 HB3 GLN A 21 14.438 -1.439 -10.638 1.00 1.68 H new ATOM 0 HG2 GLN A 21 15.359 0.146 -12.333 1.00 1.78 H new ATOM 0 HG3 GLN A 21 15.780 1.280 -11.065 1.00 1.78 H new ATOM 0 HE21 GLN A 21 17.156 -1.026 -13.016 1.00 2.28 H new ATOM 0 HE22 GLN A 21 18.458 -1.568 -11.953 1.00 2.28 H new ATOM 315 N ARG A 22 11.853 -0.891 -12.048 1.00 1.58 N ATOM 316 CA ARG A 22 11.252 -1.245 -13.331 1.00 1.64 C ATOM 317 C ARG A 22 9.950 -0.474 -13.572 1.00 1.57 C ATOM 318 O ARG A 22 9.432 -0.455 -14.689 1.00 1.65 O ATOM 319 CB ARG A 22 10.956 -2.743 -13.377 1.00 1.67 C ATOM 320 CG ARG A 22 10.990 -3.227 -14.828 1.00 1.81 C ATOM 321 CD ARG A 22 12.389 -3.749 -15.163 1.00 2.19 C ATOM 322 NE ARG A 22 12.454 -5.203 -14.991 1.00 2.69 N ATOM 323 CZ ARG A 22 13.430 -5.943 -15.537 1.00 3.31 C ATOM 324 NH1 ARG A 22 14.381 -5.392 -16.254 1.00 3.61 N ATOM 325 NH2 ARG A 22 13.434 -7.235 -15.351 1.00 4.07 N ATOM 0 H ARG A 22 11.552 -1.468 -11.262 1.00 1.58 H new ATOM 0 HA ARG A 22 11.965 -0.980 -14.111 1.00 1.64 H new ATOM 0 HB2 ARG A 22 11.690 -3.288 -12.784 1.00 1.67 H new ATOM 0 HB3 ARG A 22 9.979 -2.945 -12.938 1.00 1.67 H new ATOM 0 HG2 ARG A 22 10.252 -4.015 -14.976 1.00 1.81 H new ATOM 0 HG3 ARG A 22 10.725 -2.411 -15.500 1.00 1.81 H new ATOM 0 HD2 ARG A 22 12.644 -3.487 -16.190 1.00 2.19 H new ATOM 0 HD3 ARG A 22 13.126 -3.268 -14.519 1.00 2.19 H new ATOM 0 HE ARG A 22 11.733 -5.667 -14.438 1.00 2.69 H new ATOM 0 HH11 ARG A 22 14.387 -4.383 -16.405 1.00 3.61 H new ATOM 0 HH12 ARG A 22 15.114 -5.973 -16.661 1.00 3.61 H new ATOM 0 HH21 ARG A 22 12.699 -7.672 -14.795 1.00 4.07 H new ATOM 0 HH22 ARG A 22 14.172 -7.807 -15.762 1.00 4.07 H new ATOM 339 N LEU A 23 9.418 0.153 -12.520 1.00 1.46 N ATOM 340 CA LEU A 23 8.170 0.906 -12.647 1.00 1.41 C ATOM 341 C LEU A 23 8.381 2.188 -13.448 1.00 1.51 C ATOM 342 O LEU A 23 9.429 2.827 -13.369 1.00 1.58 O ATOM 343 CB LEU A 23 7.626 1.273 -11.263 1.00 1.30 C ATOM 344 CG LEU A 23 6.597 0.232 -10.820 1.00 1.21 C ATOM 345 CD1 LEU A 23 6.276 0.430 -9.334 1.00 1.12 C ATOM 346 CD2 LEU A 23 5.318 0.393 -11.649 1.00 1.22 C ATOM 0 H LEU A 23 9.825 0.155 -11.585 1.00 1.46 H new ATOM 0 HA LEU A 23 7.455 0.271 -13.170 1.00 1.41 H new ATOM 0 HB2 LEU A 23 8.442 1.321 -10.542 1.00 1.30 H new ATOM 0 HB3 LEU A 23 7.168 2.262 -11.292 1.00 1.30 H new ATOM 0 HG LEU A 23 7.003 -0.768 -10.972 1.00 1.21 H new ATOM 0 HD11 LEU A 23 5.543 -0.312 -9.018 1.00 1.12 H new ATOM 0 HD12 LEU A 23 7.187 0.313 -8.746 1.00 1.12 H new ATOM 0 HD13 LEU A 23 5.870 1.430 -9.179 1.00 1.12 H new ATOM 0 HD21 LEU A 23 4.584 -0.349 -11.334 1.00 1.22 H new ATOM 0 HD22 LEU A 23 4.911 1.393 -11.499 1.00 1.22 H new ATOM 0 HD23 LEU A 23 5.548 0.250 -12.705 1.00 1.22 H new ATOM 358 N GLU A 24 7.355 2.556 -14.210 1.00 1.55 N ATOM 359 CA GLU A 24 7.409 3.769 -15.020 1.00 1.66 C ATOM 360 C GLU A 24 6.337 4.756 -14.558 1.00 1.63 C ATOM 361 O GLU A 24 6.579 5.959 -14.462 1.00 1.71 O ATOM 362 CB GLU A 24 7.181 3.441 -16.497 1.00 1.79 C ATOM 363 CG GLU A 24 7.876 4.489 -17.367 1.00 2.10 C ATOM 364 CD GLU A 24 7.099 5.799 -17.305 1.00 2.48 C ATOM 365 OE1 GLU A 24 5.965 5.815 -17.756 1.00 2.89 O ATOM 366 OE2 GLU A 24 7.648 6.768 -16.807 1.00 3.03 O ATOM 0 H GLU A 24 6.481 2.035 -14.284 1.00 1.55 H new ATOM 0 HA GLU A 24 8.397 4.214 -14.900 1.00 1.66 H new ATOM 0 HB2 GLU A 24 7.570 2.449 -16.724 1.00 1.79 H new ATOM 0 HB3 GLU A 24 6.113 3.422 -16.715 1.00 1.79 H new ATOM 0 HG2 GLU A 24 8.898 4.644 -17.022 1.00 2.10 H new ATOM 0 HG3 GLU A 24 7.937 4.139 -18.397 1.00 2.10 H new ATOM 373 N SER A 25 5.149 4.226 -14.270 1.00 1.54 N ATOM 374 CA SER A 25 4.035 5.055 -13.813 1.00 1.52 C ATOM 375 C SER A 25 2.805 4.185 -13.566 1.00 1.41 C ATOM 376 O SER A 25 2.660 3.116 -14.157 1.00 1.40 O ATOM 377 CB SER A 25 3.690 6.120 -14.855 1.00 1.67 C ATOM 378 OG SER A 25 2.554 6.855 -14.419 1.00 2.07 O ATOM 0 H SER A 25 4.934 3.232 -14.344 1.00 1.54 H new ATOM 0 HA SER A 25 4.335 5.545 -12.887 1.00 1.52 H new ATOM 0 HB2 SER A 25 4.537 6.790 -15.000 1.00 1.67 H new ATOM 0 HB3 SER A 25 3.486 5.651 -15.817 1.00 1.67 H new ATOM 0 HG SER A 25 2.332 7.539 -15.084 1.00 2.07 H new ATOM 384 N TYR A 26 1.919 4.649 -12.685 1.00 1.39 N ATOM 385 CA TYR A 26 0.708 3.889 -12.376 1.00 1.30 C ATOM 386 C TYR A 26 -0.544 4.690 -12.751 1.00 1.36 C ATOM 387 O TYR A 26 -0.504 5.914 -12.871 1.00 1.44 O ATOM 388 CB TYR A 26 0.690 3.486 -10.879 1.00 1.15 C ATOM 389 CG TYR A 26 0.190 4.612 -9.990 1.00 1.13 C ATOM 390 CD1 TYR A 26 1.073 5.604 -9.549 1.00 1.57 C ATOM 391 CD2 TYR A 26 -1.156 4.652 -9.606 1.00 1.74 C ATOM 392 CE1 TYR A 26 0.610 6.638 -8.726 1.00 1.62 C ATOM 393 CE2 TYR A 26 -1.619 5.685 -8.783 1.00 1.73 C ATOM 394 CZ TYR A 26 -0.736 6.678 -8.343 1.00 1.19 C ATOM 395 OH TYR A 26 -1.193 7.697 -7.532 1.00 1.28 O ATOM 0 H TYR A 26 2.013 5.531 -12.181 1.00 1.39 H new ATOM 0 HA TYR A 26 0.709 2.976 -12.971 1.00 1.30 H new ATOM 0 HB2 TYR A 26 0.054 2.611 -10.747 1.00 1.15 H new ATOM 0 HB3 TYR A 26 1.695 3.199 -10.569 1.00 1.15 H new ATOM 0 HD1 TYR A 26 2.112 5.572 -9.843 1.00 1.57 H new ATOM 0 HD2 TYR A 26 -1.837 3.885 -9.945 1.00 1.74 H new ATOM 0 HE1 TYR A 26 1.291 7.404 -8.387 1.00 1.62 H new ATOM 0 HE2 TYR A 26 -2.657 5.716 -8.487 1.00 1.73 H new ATOM 0 HH TYR A 26 -0.449 8.293 -7.305 1.00 1.28 H new ATOM 405 N ARG A 27 -1.653 3.979 -12.932 1.00 1.34 N ATOM 406 CA ARG A 27 -2.913 4.625 -13.290 1.00 1.42 C ATOM 407 C ARG A 27 -4.056 4.055 -12.456 1.00 1.32 C ATOM 408 O ARG A 27 -4.452 2.903 -12.626 1.00 1.29 O ATOM 409 CB ARG A 27 -3.223 4.411 -14.773 1.00 1.57 C ATOM 410 CG ARG A 27 -2.288 5.278 -15.621 1.00 1.91 C ATOM 411 CD ARG A 27 -2.771 6.728 -15.592 1.00 2.15 C ATOM 412 NE ARG A 27 -2.251 7.469 -16.745 1.00 2.51 N ATOM 413 CZ ARG A 27 -2.427 8.790 -16.881 1.00 2.96 C ATOM 414 NH1 ARG A 27 -3.076 9.488 -15.980 1.00 3.26 N ATOM 415 NH2 ARG A 27 -1.941 9.396 -17.931 1.00 3.60 N ATOM 0 H ARG A 27 -1.706 2.965 -12.838 1.00 1.34 H new ATOM 0 HA ARG A 27 -2.813 5.692 -13.092 1.00 1.42 H new ATOM 0 HB2 ARG A 27 -3.098 3.360 -15.034 1.00 1.57 H new ATOM 0 HB3 ARG A 27 -4.262 4.669 -14.979 1.00 1.57 H new ATOM 0 HG2 ARG A 27 -1.269 5.215 -15.238 1.00 1.91 H new ATOM 0 HG3 ARG A 27 -2.266 4.911 -16.647 1.00 1.91 H new ATOM 0 HD2 ARG A 27 -3.861 6.754 -15.598 1.00 2.15 H new ATOM 0 HD3 ARG A 27 -2.446 7.207 -14.668 1.00 2.15 H new ATOM 0 HE ARG A 27 -1.739 6.962 -17.467 1.00 2.51 H new ATOM 0 HH11 ARG A 27 -3.459 9.026 -15.155 1.00 3.26 H new ATOM 0 HH12 ARG A 27 -3.198 10.493 -16.104 1.00 3.26 H new ATOM 0 HH21 ARG A 27 -1.433 8.864 -18.638 1.00 3.60 H new ATOM 0 HH22 ARG A 27 -2.069 10.402 -18.044 1.00 3.60 H new ATOM 429 N ARG A 28 -4.578 4.876 -11.550 1.00 1.31 N ATOM 430 CA ARG A 28 -5.674 4.445 -10.688 1.00 1.25 C ATOM 431 C ARG A 28 -6.998 4.504 -11.438 1.00 1.35 C ATOM 432 O ARG A 28 -7.245 5.415 -12.228 1.00 1.48 O ATOM 433 CB ARG A 28 -5.764 5.333 -9.447 1.00 1.26 C ATOM 434 CG ARG A 28 -6.762 4.739 -8.445 1.00 1.25 C ATOM 435 CD ARG A 28 -7.616 5.856 -7.840 1.00 1.52 C ATOM 436 NE ARG A 28 -6.769 6.929 -7.313 1.00 1.69 N ATOM 437 CZ ARG A 28 -7.266 8.123 -6.961 1.00 2.01 C ATOM 438 NH1 ARG A 28 -8.547 8.386 -7.075 1.00 2.51 N ATOM 439 NH2 ARG A 28 -6.463 9.041 -6.498 1.00 2.49 N ATOM 0 H ARG A 28 -4.264 5.834 -11.394 1.00 1.31 H new ATOM 0 HA ARG A 28 -5.475 3.418 -10.383 1.00 1.25 H new ATOM 0 HB2 ARG A 28 -4.782 5.424 -8.983 1.00 1.26 H new ATOM 0 HB3 ARG A 28 -6.077 6.338 -9.731 1.00 1.26 H new ATOM 0 HG2 ARG A 28 -7.401 4.009 -8.943 1.00 1.25 H new ATOM 0 HG3 ARG A 28 -6.228 4.209 -7.656 1.00 1.25 H new ATOM 0 HD2 ARG A 28 -8.289 6.257 -8.598 1.00 1.52 H new ATOM 0 HD3 ARG A 28 -8.239 5.452 -7.042 1.00 1.52 H new ATOM 0 HE ARG A 28 -5.768 6.762 -7.211 1.00 1.69 H new ATOM 0 HH11 ARG A 28 -9.183 7.676 -7.437 1.00 2.51 H new ATOM 0 HH12 ARG A 28 -8.906 9.301 -6.802 1.00 2.51 H new ATOM 0 HH21 ARG A 28 -5.466 8.847 -6.406 1.00 2.49 H new ATOM 0 HH22 ARG A 28 -6.832 9.953 -6.228 1.00 2.49 H new ATOM 453 N ILE A 29 -7.847 3.519 -11.174 1.00 1.33 N ATOM 454 CA ILE A 29 -9.154 3.456 -11.818 1.00 1.45 C ATOM 455 C ILE A 29 -10.260 3.601 -10.779 1.00 1.43 C ATOM 456 O ILE A 29 -10.237 2.957 -9.729 1.00 1.36 O ATOM 457 CB ILE A 29 -9.335 2.125 -12.549 1.00 1.51 C ATOM 458 CG1 ILE A 29 -8.135 1.872 -13.471 1.00 1.57 C ATOM 459 CG2 ILE A 29 -10.614 2.176 -13.385 1.00 1.67 C ATOM 460 CD1 ILE A 29 -8.259 0.493 -14.131 1.00 1.70 C ATOM 0 H ILE A 29 -7.657 2.757 -10.523 1.00 1.33 H new ATOM 0 HA ILE A 29 -9.212 4.273 -12.538 1.00 1.45 H new ATOM 0 HB ILE A 29 -9.405 1.319 -11.818 1.00 1.51 H new ATOM 0 HG12 ILE A 29 -8.085 2.647 -14.236 1.00 1.57 H new ATOM 0 HG13 ILE A 29 -7.209 1.928 -12.899 1.00 1.57 H new ATOM 0 HG21 ILE A 29 -10.745 1.228 -13.907 1.00 1.67 H new ATOM 0 HG22 ILE A 29 -11.469 2.352 -12.732 1.00 1.67 H new ATOM 0 HG23 ILE A 29 -10.541 2.984 -14.113 1.00 1.67 H new ATOM 0 HD11 ILE A 29 -7.402 0.323 -14.783 1.00 1.70 H new ATOM 0 HD12 ILE A 29 -8.287 -0.278 -13.361 1.00 1.70 H new ATOM 0 HD13 ILE A 29 -9.176 0.452 -14.719 1.00 1.70 H new ATOM 472 N THR A 30 -11.229 4.454 -11.087 1.00 1.59 N ATOM 473 CA THR A 30 -12.349 4.682 -10.178 1.00 1.64 C ATOM 474 C THR A 30 -13.432 5.506 -10.868 1.00 1.87 C ATOM 475 O THR A 30 -14.104 6.326 -10.242 1.00 2.31 O ATOM 476 CB THR A 30 -11.876 5.418 -8.921 1.00 1.74 C ATOM 477 OG1 THR A 30 -12.997 5.715 -8.099 1.00 2.30 O ATOM 478 CG2 THR A 30 -11.174 6.718 -9.320 1.00 2.22 C ATOM 0 H THR A 30 -11.264 4.996 -11.951 1.00 1.59 H new ATOM 0 HA THR A 30 -12.759 3.713 -9.893 1.00 1.64 H new ATOM 0 HB THR A 30 -11.178 4.787 -8.371 1.00 1.74 H new ATOM 0 HG1 THR A 30 -13.598 6.326 -8.574 1.00 2.30 H new ATOM 0 HG21 THR A 30 -10.838 7.240 -8.424 1.00 2.22 H new ATOM 0 HG22 THR A 30 -10.314 6.489 -9.950 1.00 2.22 H new ATOM 0 HG23 THR A 30 -11.869 7.352 -9.871 1.00 2.22 H new ATOM 486 N SER A 31 -13.590 5.278 -12.169 1.00 2.05 N ATOM 487 CA SER A 31 -14.590 6.002 -12.942 1.00 2.29 C ATOM 488 C SER A 31 -15.986 5.456 -12.653 1.00 2.24 C ATOM 489 O SER A 31 -16.179 4.664 -11.730 1.00 2.70 O ATOM 490 CB SER A 31 -14.299 5.876 -14.439 1.00 3.07 C ATOM 491 OG SER A 31 -14.669 7.084 -15.092 1.00 3.47 O ATOM 0 H SER A 31 -13.043 4.604 -12.705 1.00 2.05 H new ATOM 0 HA SER A 31 -14.548 7.052 -12.653 1.00 2.29 H new ATOM 0 HB2 SER A 31 -13.240 5.672 -14.600 1.00 3.07 H new ATOM 0 HB3 SER A 31 -14.853 5.037 -14.860 1.00 3.07 H new ATOM 0 HG SER A 31 -14.482 7.008 -16.051 1.00 3.47 H new ATOM 497 N GLY A 32 -16.956 5.888 -13.453 1.00 2.23 N ATOM 498 CA GLY A 32 -18.333 5.439 -13.278 1.00 2.54 C ATOM 499 C GLY A 32 -18.671 4.273 -14.210 1.00 2.44 C ATOM 500 O GLY A 32 -19.675 3.586 -14.018 1.00 2.68 O ATOM 0 H GLY A 32 -16.816 6.543 -14.222 1.00 2.23 H new ATOM 0 HA2 GLY A 32 -18.488 5.134 -12.243 1.00 2.54 H new ATOM 0 HA3 GLY A 32 -19.014 6.268 -13.471 1.00 2.54 H new ATOM 504 N LYS A 33 -17.832 4.052 -15.226 1.00 2.37 N ATOM 505 CA LYS A 33 -18.075 2.966 -16.172 1.00 2.49 C ATOM 506 C LYS A 33 -17.272 1.719 -15.799 1.00 2.30 C ATOM 507 O LYS A 33 -16.944 0.901 -16.658 1.00 2.48 O ATOM 508 CB LYS A 33 -17.691 3.395 -17.589 1.00 2.87 C ATOM 509 CG LYS A 33 -18.889 4.071 -18.260 1.00 3.62 C ATOM 510 CD LYS A 33 -19.823 3.003 -18.832 1.00 4.07 C ATOM 511 CE LYS A 33 -21.036 3.677 -19.477 1.00 4.74 C ATOM 512 NZ LYS A 33 -20.635 4.282 -20.777 1.00 5.35 N ATOM 0 H LYS A 33 -16.993 4.602 -15.411 1.00 2.37 H new ATOM 0 HA LYS A 33 -19.139 2.731 -16.133 1.00 2.49 H new ATOM 0 HB2 LYS A 33 -16.844 4.081 -17.556 1.00 2.87 H new ATOM 0 HB3 LYS A 33 -17.376 2.528 -18.170 1.00 2.87 H new ATOM 0 HG2 LYS A 33 -19.424 4.688 -17.538 1.00 3.62 H new ATOM 0 HG3 LYS A 33 -18.548 4.734 -19.055 1.00 3.62 H new ATOM 0 HD2 LYS A 33 -19.294 2.400 -19.570 1.00 4.07 H new ATOM 0 HD3 LYS A 33 -20.147 2.327 -18.041 1.00 4.07 H new ATOM 0 HE2 LYS A 33 -21.831 2.947 -19.633 1.00 4.74 H new ATOM 0 HE3 LYS A 33 -21.434 4.445 -18.814 1.00 4.74 H new ATOM 0 HZ1 LYS A 33 -21.483 4.605 -21.286 1.00 5.35 H new ATOM 0 HZ2 LYS A 33 -20.005 5.092 -20.604 1.00 5.35 H new ATOM 0 HZ3 LYS A 33 -20.136 3.572 -21.351 1.00 5.35 H new ATOM 526 N CYS A 34 -16.965 1.576 -14.511 1.00 2.10 N ATOM 527 CA CYS A 34 -16.208 0.414 -14.049 1.00 1.97 C ATOM 528 C CYS A 34 -16.916 -0.228 -12.845 1.00 2.00 C ATOM 529 O CYS A 34 -17.268 0.470 -11.894 1.00 2.06 O ATOM 530 CB CYS A 34 -14.787 0.824 -13.631 1.00 1.79 C ATOM 531 SG CYS A 34 -13.626 0.537 -14.996 1.00 1.82 S ATOM 0 H CYS A 34 -17.224 2.238 -13.779 1.00 2.10 H new ATOM 0 HA CYS A 34 -16.148 -0.301 -14.870 1.00 1.97 H new ATOM 0 HB2 CYS A 34 -14.773 1.876 -13.347 1.00 1.79 H new ATOM 0 HB3 CYS A 34 -14.479 0.253 -12.755 1.00 1.79 H new ATOM 536 N PRO A 35 -17.134 -1.558 -12.855 1.00 2.03 N ATOM 537 CA PRO A 35 -17.806 -2.239 -11.734 1.00 2.12 C ATOM 538 C PRO A 35 -16.839 -2.607 -10.609 1.00 1.98 C ATOM 539 O PRO A 35 -17.232 -2.728 -9.449 1.00 2.08 O ATOM 540 CB PRO A 35 -18.356 -3.492 -12.400 1.00 2.27 C ATOM 541 CG PRO A 35 -17.500 -3.758 -13.635 1.00 2.22 C ATOM 542 CD PRO A 35 -16.741 -2.466 -13.958 1.00 2.06 C ATOM 0 HA PRO A 35 -18.560 -1.615 -11.255 1.00 2.12 H new ATOM 0 HB2 PRO A 35 -18.318 -4.340 -11.716 1.00 2.27 H new ATOM 0 HB3 PRO A 35 -19.401 -3.353 -12.678 1.00 2.27 H new ATOM 0 HG2 PRO A 35 -16.803 -4.576 -13.449 1.00 2.22 H new ATOM 0 HG3 PRO A 35 -18.125 -4.056 -14.477 1.00 2.22 H new ATOM 0 HD2 PRO A 35 -15.663 -2.627 -13.982 1.00 2.06 H new ATOM 0 HD3 PRO A 35 -17.025 -2.065 -14.931 1.00 2.06 H new ATOM 550 N GLN A 36 -15.572 -2.788 -10.971 1.00 1.80 N ATOM 551 CA GLN A 36 -14.553 -3.150 -9.989 1.00 1.69 C ATOM 552 C GLN A 36 -13.390 -2.164 -10.036 1.00 1.54 C ATOM 553 O GLN A 36 -12.505 -2.263 -10.887 1.00 1.55 O ATOM 554 CB GLN A 36 -14.026 -4.559 -10.269 1.00 1.77 C ATOM 555 CG GLN A 36 -13.412 -5.140 -8.995 1.00 1.97 C ATOM 556 CD GLN A 36 -14.500 -5.341 -7.946 1.00 2.66 C ATOM 557 OE1 GLN A 36 -14.684 -4.501 -7.064 1.00 3.13 O ATOM 558 NE2 GLN A 36 -15.241 -6.413 -7.990 1.00 3.28 N ATOM 0 H GLN A 36 -15.228 -2.691 -11.926 1.00 1.80 H new ATOM 0 HA GLN A 36 -15.010 -3.120 -9.000 1.00 1.69 H new ATOM 0 HB2 GLN A 36 -14.837 -5.199 -10.618 1.00 1.77 H new ATOM 0 HB3 GLN A 36 -13.280 -4.528 -11.063 1.00 1.77 H new ATOM 0 HG2 GLN A 36 -12.925 -6.090 -9.215 1.00 1.97 H new ATOM 0 HG3 GLN A 36 -12.643 -4.469 -8.612 1.00 1.97 H new ATOM 0 HE21 GLN A 36 -15.089 -7.109 -8.720 1.00 3.28 H new ATOM 0 HE22 GLN A 36 -15.973 -6.556 -7.294 1.00 3.28 H new ATOM 567 N LYS A 37 -13.400 -1.208 -9.109 1.00 1.47 N ATOM 568 CA LYS A 37 -12.339 -0.205 -9.048 1.00 1.36 C ATOM 569 C LYS A 37 -11.012 -0.858 -8.675 1.00 1.24 C ATOM 570 O LYS A 37 -10.980 -1.905 -8.028 1.00 1.26 O ATOM 571 CB LYS A 37 -12.677 0.869 -8.011 1.00 1.41 C ATOM 572 CG LYS A 37 -12.967 0.203 -6.664 1.00 2.00 C ATOM 573 CD LYS A 37 -12.695 1.198 -5.533 1.00 2.27 C ATOM 574 CE LYS A 37 -13.304 0.669 -4.232 1.00 2.94 C ATOM 575 NZ LYS A 37 -13.536 1.805 -3.295 1.00 3.31 N ATOM 0 H LYS A 37 -14.123 -1.107 -8.397 1.00 1.47 H new ATOM 0 HA LYS A 37 -12.253 0.256 -10.032 1.00 1.36 H new ATOM 0 HB2 LYS A 37 -11.847 1.568 -7.912 1.00 1.41 H new ATOM 0 HB3 LYS A 37 -13.542 1.446 -8.338 1.00 1.41 H new ATOM 0 HG2 LYS A 37 -14.004 -0.131 -6.627 1.00 2.00 H new ATOM 0 HG3 LYS A 37 -12.343 -0.682 -6.542 1.00 2.00 H new ATOM 0 HD2 LYS A 37 -11.622 1.343 -5.412 1.00 2.27 H new ATOM 0 HD3 LYS A 37 -13.123 2.170 -5.779 1.00 2.27 H new ATOM 0 HE2 LYS A 37 -14.244 0.157 -4.439 1.00 2.94 H new ATOM 0 HE3 LYS A 37 -12.636 -0.062 -3.776 1.00 2.94 H new ATOM 0 HZ1 LYS A 37 -13.950 1.447 -2.411 1.00 3.31 H new ATOM 0 HZ2 LYS A 37 -12.632 2.275 -3.089 1.00 3.31 H new ATOM 0 HZ3 LYS A 37 -14.189 2.487 -3.731 1.00 3.31 H new ATOM 589 N ALA A 38 -9.915 -0.228 -9.090 1.00 1.19 N ATOM 590 CA ALA A 38 -8.586 -0.758 -8.795 1.00 1.12 C ATOM 591 C ALA A 38 -7.505 0.173 -9.341 1.00 1.08 C ATOM 592 O ALA A 38 -7.796 1.263 -9.837 1.00 1.13 O ATOM 593 CB ALA A 38 -8.416 -2.150 -9.417 1.00 1.22 C ATOM 0 H ALA A 38 -9.919 0.640 -9.625 1.00 1.19 H new ATOM 0 HA ALA A 38 -8.484 -0.831 -7.712 1.00 1.12 H new ATOM 0 HB1 ALA A 38 -7.421 -2.532 -9.189 1.00 1.22 H new ATOM 0 HB2 ALA A 38 -9.167 -2.826 -9.007 1.00 1.22 H new ATOM 0 HB3 ALA A 38 -8.540 -2.083 -10.498 1.00 1.22 H new ATOM 599 N VAL A 39 -6.253 -0.270 -9.245 1.00 1.06 N ATOM 600 CA VAL A 39 -5.131 0.527 -9.733 1.00 1.05 C ATOM 601 C VAL A 39 -4.387 -0.233 -10.828 1.00 1.10 C ATOM 602 O VAL A 39 -4.481 -1.454 -10.931 1.00 1.14 O ATOM 603 CB VAL A 39 -4.156 0.839 -8.586 1.00 0.95 C ATOM 604 CG1 VAL A 39 -2.999 1.709 -9.093 1.00 0.89 C ATOM 605 CG2 VAL A 39 -4.895 1.593 -7.481 1.00 0.98 C ATOM 0 H VAL A 39 -5.992 -1.168 -8.838 1.00 1.06 H new ATOM 0 HA VAL A 39 -5.523 1.461 -10.136 1.00 1.05 H new ATOM 0 HB VAL A 39 -3.758 -0.099 -8.199 1.00 0.95 H new ATOM 0 HG11 VAL A 39 -2.316 1.922 -8.270 1.00 0.89 H new ATOM 0 HG12 VAL A 39 -2.463 1.179 -9.881 1.00 0.89 H new ATOM 0 HG13 VAL A 39 -3.394 2.645 -9.489 1.00 0.89 H new ATOM 0 HG21 VAL A 39 -4.205 1.815 -6.667 1.00 0.98 H new ATOM 0 HG22 VAL A 39 -5.295 2.525 -7.881 1.00 0.98 H new ATOM 0 HG23 VAL A 39 -5.713 0.978 -7.105 1.00 0.98 H new ATOM 615 N ILE A 40 -3.639 0.509 -11.636 1.00 1.16 N ATOM 616 CA ILE A 40 -2.867 -0.098 -12.717 1.00 1.25 C ATOM 617 C ILE A 40 -1.415 0.347 -12.621 1.00 1.21 C ATOM 618 O ILE A 40 -1.127 1.491 -12.274 1.00 1.20 O ATOM 619 CB ILE A 40 -3.418 0.300 -14.090 1.00 1.40 C ATOM 620 CG1 ILE A 40 -4.942 0.139 -14.107 1.00 1.45 C ATOM 621 CG2 ILE A 40 -2.804 -0.606 -15.158 1.00 1.53 C ATOM 622 CD1 ILE A 40 -5.500 0.677 -15.427 1.00 1.73 C ATOM 0 H ILE A 40 -3.550 1.523 -11.566 1.00 1.16 H new ATOM 0 HA ILE A 40 -2.941 -1.181 -12.613 1.00 1.25 H new ATOM 0 HB ILE A 40 -3.164 1.341 -14.293 1.00 1.40 H new ATOM 0 HG12 ILE A 40 -5.208 -0.911 -13.989 1.00 1.45 H new ATOM 0 HG13 ILE A 40 -5.384 0.676 -13.268 1.00 1.45 H new ATOM 0 HG21 ILE A 40 -3.192 -0.328 -16.138 1.00 1.53 H new ATOM 0 HG22 ILE A 40 -1.720 -0.493 -15.152 1.00 1.53 H new ATOM 0 HG23 ILE A 40 -3.062 -1.644 -14.947 1.00 1.53 H new ATOM 0 HD11 ILE A 40 -6.584 0.562 -15.438 1.00 1.73 H new ATOM 0 HD12 ILE A 40 -5.246 1.732 -15.526 1.00 1.73 H new ATOM 0 HD13 ILE A 40 -5.068 0.120 -16.259 1.00 1.73 H new ATOM 634 N PHE A 41 -0.500 -0.567 -12.921 1.00 1.24 N ATOM 635 CA PHE A 41 0.922 -0.246 -12.852 1.00 1.23 C ATOM 636 C PHE A 41 1.604 -0.491 -14.189 1.00 1.38 C ATOM 637 O PHE A 41 1.241 -1.398 -14.938 1.00 1.49 O ATOM 638 CB PHE A 41 1.610 -1.097 -11.785 1.00 1.17 C ATOM 639 CG PHE A 41 1.266 -0.556 -10.420 1.00 1.03 C ATOM 640 CD1 PHE A 41 1.675 0.731 -10.057 1.00 1.01 C ATOM 641 CD2 PHE A 41 0.539 -1.342 -9.519 1.00 0.96 C ATOM 642 CE1 PHE A 41 1.356 1.235 -8.792 1.00 0.93 C ATOM 643 CE2 PHE A 41 0.220 -0.838 -8.254 1.00 0.87 C ATOM 644 CZ PHE A 41 0.628 0.452 -7.889 1.00 0.85 C ATOM 0 H PHE A 41 -0.711 -1.522 -13.210 1.00 1.24 H new ATOM 0 HA PHE A 41 1.007 0.810 -12.595 1.00 1.23 H new ATOM 0 HB2 PHE A 41 1.290 -2.135 -11.869 1.00 1.17 H new ATOM 0 HB3 PHE A 41 2.690 -1.084 -11.933 1.00 1.17 H new ATOM 0 HD1 PHE A 41 2.237 1.336 -10.753 1.00 1.01 H new ATOM 0 HD2 PHE A 41 0.225 -2.336 -9.800 1.00 0.96 H new ATOM 0 HE1 PHE A 41 1.672 2.229 -8.512 1.00 0.93 H new ATOM 0 HE2 PHE A 41 -0.341 -1.444 -7.558 1.00 0.87 H new ATOM 0 HZ PHE A 41 0.381 0.841 -6.912 1.00 0.85 H new ATOM 654 N LYS A 42 2.610 0.328 -14.468 1.00 1.40 N ATOM 655 CA LYS A 42 3.365 0.203 -15.707 1.00 1.55 C ATOM 656 C LYS A 42 4.844 0.042 -15.392 1.00 1.55 C ATOM 657 O LYS A 42 5.376 0.676 -14.482 1.00 1.50 O ATOM 658 CB LYS A 42 3.165 1.435 -16.594 1.00 1.64 C ATOM 659 CG LYS A 42 3.866 1.229 -17.939 1.00 2.00 C ATOM 660 CD LYS A 42 3.599 2.432 -18.846 1.00 2.06 C ATOM 661 CE LYS A 42 4.798 2.651 -19.770 1.00 2.75 C ATOM 662 NZ LYS A 42 4.599 3.901 -20.555 1.00 2.95 N ATOM 0 H LYS A 42 2.921 1.082 -13.856 1.00 1.40 H new ATOM 0 HA LYS A 42 3.003 -0.675 -16.242 1.00 1.55 H new ATOM 0 HB2 LYS A 42 2.101 1.611 -16.752 1.00 1.64 H new ATOM 0 HB3 LYS A 42 3.564 2.320 -16.098 1.00 1.64 H new ATOM 0 HG2 LYS A 42 4.938 1.106 -17.787 1.00 2.00 H new ATOM 0 HG3 LYS A 42 3.505 0.316 -18.413 1.00 2.00 H new ATOM 0 HD2 LYS A 42 2.698 2.263 -19.436 1.00 2.06 H new ATOM 0 HD3 LYS A 42 3.423 3.323 -18.243 1.00 2.06 H new ATOM 0 HE2 LYS A 42 5.714 2.719 -19.184 1.00 2.75 H new ATOM 0 HE3 LYS A 42 4.912 1.801 -20.443 1.00 2.75 H new ATOM 0 HZ1 LYS A 42 5.414 4.050 -21.183 1.00 2.95 H new ATOM 0 HZ2 LYS A 42 3.733 3.819 -21.125 1.00 2.95 H new ATOM 0 HZ3 LYS A 42 4.511 4.708 -19.906 1.00 2.95 H new ATOM 676 N THR A 43 5.498 -0.819 -16.155 1.00 1.64 N ATOM 677 CA THR A 43 6.922 -1.071 -15.953 1.00 1.67 C ATOM 678 C THR A 43 7.728 -0.447 -17.093 1.00 1.80 C ATOM 679 O THR A 43 7.221 0.391 -17.839 1.00 1.84 O ATOM 680 CB THR A 43 7.194 -2.582 -15.895 1.00 1.74 C ATOM 681 OG1 THR A 43 7.007 -3.145 -17.185 1.00 1.89 O ATOM 682 CG2 THR A 43 6.234 -3.244 -14.903 1.00 1.67 C ATOM 0 H THR A 43 5.074 -1.352 -16.914 1.00 1.64 H new ATOM 0 HA THR A 43 7.225 -0.621 -15.008 1.00 1.67 H new ATOM 0 HB THR A 43 8.220 -2.751 -15.568 1.00 1.74 H new ATOM 0 HG1 THR A 43 7.182 -4.109 -17.150 1.00 1.89 H new ATOM 0 HG21 THR A 43 6.431 -4.315 -14.866 1.00 1.67 H new ATOM 0 HG22 THR A 43 6.380 -2.813 -13.912 1.00 1.67 H new ATOM 0 HG23 THR A 43 5.206 -3.075 -15.224 1.00 1.67 H new ATOM 690 N LYS A 44 8.989 -0.861 -17.226 1.00 1.88 N ATOM 691 CA LYS A 44 9.847 -0.329 -18.283 1.00 2.01 C ATOM 692 C LYS A 44 9.866 -1.267 -19.490 1.00 2.17 C ATOM 693 O LYS A 44 10.850 -1.329 -20.227 1.00 2.32 O ATOM 694 CB LYS A 44 11.277 -0.153 -17.772 1.00 2.03 C ATOM 695 CG LYS A 44 11.404 1.196 -17.062 1.00 2.23 C ATOM 696 CD LYS A 44 12.852 1.403 -16.613 1.00 2.47 C ATOM 697 CE LYS A 44 12.913 2.534 -15.585 1.00 2.77 C ATOM 698 NZ LYS A 44 14.280 2.597 -14.995 1.00 3.19 N ATOM 0 H LYS A 44 9.433 -1.554 -16.623 1.00 1.88 H new ATOM 0 HA LYS A 44 9.443 0.638 -18.583 1.00 2.01 H new ATOM 0 HB2 LYS A 44 11.532 -0.962 -17.087 1.00 2.03 H new ATOM 0 HB3 LYS A 44 11.980 -0.206 -18.603 1.00 2.03 H new ATOM 0 HG2 LYS A 44 11.101 2.001 -17.732 1.00 2.23 H new ATOM 0 HG3 LYS A 44 10.737 1.230 -16.201 1.00 2.23 H new ATOM 0 HD2 LYS A 44 13.244 0.483 -16.180 1.00 2.47 H new ATOM 0 HD3 LYS A 44 13.479 1.644 -17.472 1.00 2.47 H new ATOM 0 HE2 LYS A 44 12.666 3.484 -16.059 1.00 2.77 H new ATOM 0 HE3 LYS A 44 12.174 2.367 -14.801 1.00 2.77 H new ATOM 0 HZ1 LYS A 44 14.516 3.585 -14.770 1.00 3.19 H new ATOM 0 HZ2 LYS A 44 14.309 2.027 -14.125 1.00 3.19 H new ATOM 0 HZ3 LYS A 44 14.970 2.223 -15.677 1.00 3.19 H new ATOM 712 N LEU A 45 8.768 -1.996 -19.687 1.00 2.17 N ATOM 713 CA LEU A 45 8.673 -2.924 -20.810 1.00 2.34 C ATOM 714 C LEU A 45 7.450 -2.612 -21.680 1.00 2.39 C ATOM 715 O LEU A 45 6.999 -3.455 -22.454 1.00 2.52 O ATOM 716 CB LEU A 45 8.563 -4.360 -20.293 1.00 2.37 C ATOM 717 CG LEU A 45 9.947 -5.012 -20.279 1.00 2.46 C ATOM 718 CD1 LEU A 45 9.985 -6.108 -19.214 1.00 2.44 C ATOM 719 CD2 LEU A 45 10.233 -5.627 -21.652 1.00 2.68 C ATOM 0 H LEU A 45 7.941 -1.962 -19.090 1.00 2.17 H new ATOM 0 HA LEU A 45 9.574 -2.813 -21.414 1.00 2.34 H new ATOM 0 HB2 LEU A 45 8.139 -4.363 -19.289 1.00 2.37 H new ATOM 0 HB3 LEU A 45 7.887 -4.934 -20.927 1.00 2.37 H new ATOM 0 HG LEU A 45 10.701 -4.259 -20.052 1.00 2.46 H new ATOM 0 HD11 LEU A 45 10.971 -6.572 -19.205 1.00 2.44 H new ATOM 0 HD12 LEU A 45 9.780 -5.672 -18.236 1.00 2.44 H new ATOM 0 HD13 LEU A 45 9.231 -6.862 -19.441 1.00 2.44 H new ATOM 0 HD21 LEU A 45 11.219 -6.092 -21.644 1.00 2.68 H new ATOM 0 HD22 LEU A 45 9.478 -6.380 -21.878 1.00 2.68 H new ATOM 0 HD23 LEU A 45 10.206 -4.847 -22.413 1.00 2.68 H new ATOM 731 N ALA A 46 6.919 -1.395 -21.550 1.00 2.31 N ATOM 732 CA ALA A 46 5.753 -0.995 -22.336 1.00 2.37 C ATOM 733 C ALA A 46 4.565 -1.913 -22.048 1.00 2.36 C ATOM 734 O ALA A 46 3.814 -2.287 -22.950 1.00 2.48 O ATOM 735 CB ALA A 46 6.076 -1.042 -23.832 1.00 2.57 C ATOM 0 H ALA A 46 7.273 -0.678 -20.916 1.00 2.31 H new ATOM 0 HA ALA A 46 5.492 0.025 -22.053 1.00 2.37 H new ATOM 0 HB1 ALA A 46 5.198 -0.742 -24.403 1.00 2.57 H new ATOM 0 HB2 ALA A 46 6.900 -0.362 -24.048 1.00 2.57 H new ATOM 0 HB3 ALA A 46 6.361 -2.056 -24.111 1.00 2.57 H new ATOM 741 N LYS A 47 4.401 -2.272 -20.777 1.00 2.22 N ATOM 742 CA LYS A 47 3.299 -3.146 -20.381 1.00 2.20 C ATOM 743 C LYS A 47 2.607 -2.606 -19.135 1.00 2.02 C ATOM 744 O LYS A 47 3.205 -1.885 -18.336 1.00 1.89 O ATOM 745 CB LYS A 47 3.808 -4.559 -20.093 1.00 2.26 C ATOM 746 CG LYS A 47 2.641 -5.548 -20.166 1.00 2.67 C ATOM 747 CD LYS A 47 3.140 -6.889 -20.708 1.00 2.87 C ATOM 748 CE LYS A 47 2.049 -7.534 -21.564 1.00 3.20 C ATOM 749 NZ LYS A 47 2.677 -8.423 -22.583 1.00 3.49 N ATOM 0 H LYS A 47 5.008 -1.976 -20.012 1.00 2.22 H new ATOM 0 HA LYS A 47 2.588 -3.178 -21.206 1.00 2.20 H new ATOM 0 HB2 LYS A 47 4.577 -4.834 -20.815 1.00 2.26 H new ATOM 0 HB3 LYS A 47 4.269 -4.597 -19.106 1.00 2.26 H new ATOM 0 HG2 LYS A 47 2.203 -5.684 -19.177 1.00 2.67 H new ATOM 0 HG3 LYS A 47 1.856 -5.153 -20.810 1.00 2.67 H new ATOM 0 HD2 LYS A 47 4.042 -6.740 -21.302 1.00 2.87 H new ATOM 0 HD3 LYS A 47 3.407 -7.549 -19.883 1.00 2.87 H new ATOM 0 HE2 LYS A 47 1.370 -8.108 -20.934 1.00 3.20 H new ATOM 0 HE3 LYS A 47 1.454 -6.764 -22.055 1.00 3.20 H new ATOM 0 HZ1 LYS A 47 1.935 -8.862 -23.165 1.00 3.49 H new ATOM 0 HZ2 LYS A 47 3.308 -7.863 -23.191 1.00 3.49 H new ATOM 0 HZ3 LYS A 47 3.226 -9.165 -22.105 1.00 3.49 H new ATOM 763 N ASP A 48 1.337 -2.968 -18.979 1.00 2.03 N ATOM 764 CA ASP A 48 0.561 -2.519 -17.826 1.00 1.88 C ATOM 765 C ASP A 48 -0.002 -3.714 -17.063 1.00 1.86 C ATOM 766 O ASP A 48 -0.286 -4.761 -17.644 1.00 2.00 O ATOM 767 CB ASP A 48 -0.596 -1.622 -18.272 1.00 1.92 C ATOM 768 CG ASP A 48 -0.047 -0.434 -19.053 1.00 1.98 C ATOM 769 OD1 ASP A 48 0.238 -0.601 -20.228 1.00 2.28 O ATOM 770 OD2 ASP A 48 0.082 0.628 -18.464 1.00 2.27 O ATOM 0 H ASP A 48 0.827 -3.565 -19.629 1.00 2.03 H new ATOM 0 HA ASP A 48 1.227 -1.953 -17.175 1.00 1.88 H new ATOM 0 HB2 ASP A 48 -1.291 -2.188 -18.892 1.00 1.92 H new ATOM 0 HB3 ASP A 48 -1.155 -1.273 -17.404 1.00 1.92 H new ATOM 775 N ILE A 49 -0.159 -3.543 -15.753 1.00 1.70 N ATOM 776 CA ILE A 49 -0.687 -4.614 -14.911 1.00 1.69 C ATOM 777 C ILE A 49 -1.707 -4.053 -13.923 1.00 1.56 C ATOM 778 O ILE A 49 -1.633 -2.892 -13.525 1.00 1.46 O ATOM 779 CB ILE A 49 0.445 -5.286 -14.128 1.00 1.66 C ATOM 780 CG1 ILE A 49 1.569 -5.706 -15.092 1.00 1.80 C ATOM 781 CG2 ILE A 49 -0.093 -6.517 -13.390 1.00 1.71 C ATOM 782 CD1 ILE A 49 1.051 -6.724 -16.118 1.00 2.11 C ATOM 0 H ILE A 49 0.069 -2.683 -15.255 1.00 1.70 H new ATOM 0 HA ILE A 49 -1.167 -5.349 -15.557 1.00 1.69 H new ATOM 0 HB ILE A 49 0.844 -4.579 -13.400 1.00 1.66 H new ATOM 0 HG12 ILE A 49 1.959 -4.829 -15.608 1.00 1.80 H new ATOM 0 HG13 ILE A 49 2.396 -6.139 -14.528 1.00 1.80 H new ATOM 0 HG21 ILE A 49 0.716 -6.991 -12.835 1.00 1.71 H new ATOM 0 HG22 ILE A 49 -0.878 -6.212 -12.698 1.00 1.71 H new ATOM 0 HG23 ILE A 49 -0.501 -7.225 -14.112 1.00 1.71 H new ATOM 0 HD11 ILE A 49 1.861 -7.008 -16.790 1.00 2.11 H new ATOM 0 HD12 ILE A 49 0.683 -7.609 -15.599 1.00 2.11 H new ATOM 0 HD13 ILE A 49 0.240 -6.279 -16.695 1.00 2.11 H new ATOM 794 N CYS A 50 -2.659 -4.896 -13.528 1.00 1.60 N ATOM 795 CA CYS A 50 -3.686 -4.473 -12.581 1.00 1.51 C ATOM 796 C CYS A 50 -3.216 -4.713 -11.151 1.00 1.38 C ATOM 797 O CYS A 50 -2.539 -5.699 -10.861 1.00 1.44 O ATOM 798 CB CYS A 50 -4.989 -5.240 -12.814 1.00 1.63 C ATOM 799 SG CYS A 50 -5.668 -4.799 -14.433 1.00 1.82 S ATOM 0 H CYS A 50 -2.740 -5.862 -13.844 1.00 1.60 H new ATOM 0 HA CYS A 50 -3.866 -3.409 -12.735 1.00 1.51 H new ATOM 0 HB2 CYS A 50 -4.805 -6.313 -12.765 1.00 1.63 H new ATOM 0 HB3 CYS A 50 -5.708 -5.003 -12.030 1.00 1.63 H new ATOM 804 N ALA A 51 -3.581 -3.796 -10.262 1.00 1.23 N ATOM 805 CA ALA A 51 -3.193 -3.907 -8.859 1.00 1.13 C ATOM 806 C ALA A 51 -4.295 -3.366 -7.954 1.00 1.06 C ATOM 807 O ALA A 51 -5.157 -2.600 -8.388 1.00 1.05 O ATOM 808 CB ALA A 51 -1.908 -3.117 -8.600 1.00 1.03 C ATOM 0 H ALA A 51 -4.141 -2.973 -10.484 1.00 1.23 H new ATOM 0 HA ALA A 51 -3.027 -4.961 -8.638 1.00 1.13 H new ATOM 0 HB1 ALA A 51 -1.630 -3.208 -7.550 1.00 1.03 H new ATOM 0 HB2 ALA A 51 -1.106 -3.512 -9.223 1.00 1.03 H new ATOM 0 HB3 ALA A 51 -2.072 -2.067 -8.842 1.00 1.03 H new ATOM 814 N ASP A 52 -4.256 -3.771 -6.687 1.00 1.07 N ATOM 815 CA ASP A 52 -5.252 -3.324 -5.716 1.00 1.06 C ATOM 816 C ASP A 52 -4.576 -2.490 -4.621 1.00 0.96 C ATOM 817 O ASP A 52 -3.383 -2.651 -4.369 1.00 0.93 O ATOM 818 CB ASP A 52 -5.956 -4.533 -5.078 1.00 1.20 C ATOM 819 CG ASP A 52 -7.470 -4.357 -5.151 1.00 1.59 C ATOM 820 OD1 ASP A 52 -7.937 -3.808 -6.136 1.00 2.22 O ATOM 821 OD2 ASP A 52 -8.141 -4.772 -4.220 1.00 2.15 O ATOM 0 H ASP A 52 -3.550 -4.404 -6.310 1.00 1.07 H new ATOM 0 HA ASP A 52 -5.992 -2.713 -6.233 1.00 1.06 H new ATOM 0 HB2 ASP A 52 -5.663 -5.448 -5.593 1.00 1.20 H new ATOM 0 HB3 ASP A 52 -5.644 -4.639 -4.039 1.00 1.20 H new ATOM 826 N PRO A 53 -5.319 -1.590 -3.952 1.00 0.98 N ATOM 827 CA PRO A 53 -4.742 -0.745 -2.887 1.00 1.00 C ATOM 828 C PRO A 53 -4.591 -1.469 -1.544 1.00 1.09 C ATOM 829 O PRO A 53 -4.187 -0.867 -0.550 1.00 1.21 O ATOM 830 CB PRO A 53 -5.756 0.388 -2.782 1.00 1.10 C ATOM 831 CG PRO A 53 -7.079 -0.145 -3.318 1.00 1.13 C ATOM 832 CD PRO A 53 -6.762 -1.354 -4.202 1.00 1.07 C ATOM 0 HA PRO A 53 -3.727 -0.426 -3.124 1.00 1.00 H new ATOM 0 HB2 PRO A 53 -5.863 0.715 -1.748 1.00 1.10 H new ATOM 0 HB3 PRO A 53 -5.428 1.254 -3.357 1.00 1.10 H new ATOM 0 HG2 PRO A 53 -7.738 -0.431 -2.498 1.00 1.13 H new ATOM 0 HG3 PRO A 53 -7.598 0.623 -3.891 1.00 1.13 H new ATOM 0 HD2 PRO A 53 -7.364 -2.221 -3.930 1.00 1.07 H new ATOM 0 HD3 PRO A 53 -6.959 -1.146 -5.254 1.00 1.07 H new ATOM 840 N LYS A 54 -4.907 -2.765 -1.522 1.00 1.09 N ATOM 841 CA LYS A 54 -4.787 -3.540 -0.290 1.00 1.23 C ATOM 842 C LYS A 54 -3.494 -4.367 -0.276 1.00 1.25 C ATOM 843 O LYS A 54 -3.314 -5.230 0.582 1.00 1.42 O ATOM 844 CB LYS A 54 -5.979 -4.488 -0.141 1.00 1.34 C ATOM 845 CG LYS A 54 -6.313 -4.668 1.343 1.00 1.87 C ATOM 846 CD LYS A 54 -7.440 -3.709 1.735 1.00 2.30 C ATOM 847 CE LYS A 54 -8.342 -4.378 2.775 1.00 2.83 C ATOM 848 NZ LYS A 54 -9.373 -5.202 2.081 1.00 3.39 N ATOM 0 H LYS A 54 -5.242 -3.291 -2.329 1.00 1.09 H new ATOM 0 HA LYS A 54 -4.766 -2.833 0.540 1.00 1.23 H new ATOM 0 HB2 LYS A 54 -6.843 -4.088 -0.672 1.00 1.34 H new ATOM 0 HB3 LYS A 54 -5.747 -5.453 -0.591 1.00 1.34 H new ATOM 0 HG2 LYS A 54 -6.614 -5.698 1.536 1.00 1.87 H new ATOM 0 HG3 LYS A 54 -5.429 -4.475 1.951 1.00 1.87 H new ATOM 0 HD2 LYS A 54 -7.023 -2.787 2.139 1.00 2.30 H new ATOM 0 HD3 LYS A 54 -8.022 -3.436 0.855 1.00 2.30 H new ATOM 0 HE2 LYS A 54 -7.747 -5.005 3.439 1.00 2.83 H new ATOM 0 HE3 LYS A 54 -8.823 -3.622 3.396 1.00 2.83 H new ATOM 0 HZ1 LYS A 54 -9.986 -5.657 2.787 1.00 3.39 H new ATOM 0 HZ2 LYS A 54 -9.947 -4.592 1.465 1.00 3.39 H new ATOM 0 HZ3 LYS A 54 -8.905 -5.932 1.507 1.00 3.39 H new ATOM 862 N LYS A 55 -2.594 -4.103 -1.230 1.00 1.14 N ATOM 863 CA LYS A 55 -1.335 -4.841 -1.293 1.00 1.19 C ATOM 864 C LYS A 55 -0.201 -4.015 -0.692 1.00 1.18 C ATOM 865 O LYS A 55 -0.259 -2.785 -0.660 1.00 1.12 O ATOM 866 CB LYS A 55 -0.991 -5.187 -2.744 1.00 1.15 C ATOM 867 CG LYS A 55 -1.540 -6.574 -3.084 1.00 1.31 C ATOM 868 CD LYS A 55 -3.070 -6.538 -3.060 1.00 1.80 C ATOM 869 CE LYS A 55 -3.619 -7.943 -3.315 1.00 2.02 C ATOM 870 NZ LYS A 55 -4.874 -8.135 -2.533 1.00 2.31 N ATOM 0 H LYS A 55 -2.713 -3.396 -1.956 1.00 1.14 H new ATOM 0 HA LYS A 55 -1.454 -5.761 -0.720 1.00 1.19 H new ATOM 0 HB2 LYS A 55 -1.415 -4.442 -3.417 1.00 1.15 H new ATOM 0 HB3 LYS A 55 0.089 -5.167 -2.887 1.00 1.15 H new ATOM 0 HG2 LYS A 55 -1.188 -6.885 -4.068 1.00 1.31 H new ATOM 0 HG3 LYS A 55 -1.172 -7.308 -2.367 1.00 1.31 H new ATOM 0 HD2 LYS A 55 -3.420 -6.169 -2.096 1.00 1.80 H new ATOM 0 HD3 LYS A 55 -3.440 -5.849 -3.819 1.00 1.80 H new ATOM 0 HE2 LYS A 55 -3.816 -8.081 -4.378 1.00 2.02 H new ATOM 0 HE3 LYS A 55 -2.881 -8.691 -3.028 1.00 2.02 H new ATOM 0 HZ1 LYS A 55 -5.248 -9.090 -2.706 1.00 2.31 H new ATOM 0 HZ2 LYS A 55 -4.672 -8.020 -1.519 1.00 2.31 H new ATOM 0 HZ3 LYS A 55 -5.578 -7.429 -2.828 1.00 2.31 H new ATOM 884 N LYS A 56 0.830 -4.707 -0.215 1.00 1.29 N ATOM 885 CA LYS A 56 1.974 -4.035 0.386 1.00 1.34 C ATOM 886 C LYS A 56 2.877 -3.445 -0.692 1.00 1.24 C ATOM 887 O LYS A 56 3.434 -2.360 -0.529 1.00 1.23 O ATOM 888 CB LYS A 56 2.786 -5.013 1.237 1.00 1.51 C ATOM 889 CG LYS A 56 3.709 -4.232 2.175 1.00 2.15 C ATOM 890 CD LYS A 56 4.229 -5.164 3.271 1.00 2.42 C ATOM 891 CE LYS A 56 5.519 -4.591 3.860 1.00 3.16 C ATOM 892 NZ LYS A 56 6.687 -5.091 3.081 1.00 3.69 N ATOM 0 H LYS A 56 0.895 -5.725 -0.233 1.00 1.29 H new ATOM 0 HA LYS A 56 1.595 -3.233 1.019 1.00 1.34 H new ATOM 0 HB2 LYS A 56 2.117 -5.650 1.816 1.00 1.51 H new ATOM 0 HB3 LYS A 56 3.374 -5.669 0.595 1.00 1.51 H new ATOM 0 HG2 LYS A 56 4.544 -3.811 1.614 1.00 2.15 H new ATOM 0 HG3 LYS A 56 3.170 -3.395 2.620 1.00 2.15 H new ATOM 0 HD2 LYS A 56 3.478 -5.277 4.053 1.00 2.42 H new ATOM 0 HD3 LYS A 56 4.414 -6.157 2.861 1.00 2.42 H new ATOM 0 HE2 LYS A 56 5.491 -3.502 3.834 1.00 3.16 H new ATOM 0 HE3 LYS A 56 5.614 -4.882 4.906 1.00 3.16 H new ATOM 0 HZ1 LYS A 56 7.564 -4.701 3.482 1.00 3.69 H new ATOM 0 HZ2 LYS A 56 6.717 -6.130 3.128 1.00 3.69 H new ATOM 0 HZ3 LYS A 56 6.597 -4.792 2.089 1.00 3.69 H new ATOM 906 N TRP A 57 3.013 -4.170 -1.798 1.00 1.22 N ATOM 907 CA TRP A 57 3.849 -3.703 -2.895 1.00 1.16 C ATOM 908 C TRP A 57 3.113 -2.645 -3.715 1.00 1.02 C ATOM 909 O TRP A 57 3.733 -1.768 -4.317 1.00 0.98 O ATOM 910 CB TRP A 57 4.283 -4.862 -3.803 1.00 1.22 C ATOM 911 CG TRP A 57 3.091 -5.561 -4.376 1.00 1.22 C ATOM 912 CD1 TRP A 57 2.436 -6.590 -3.791 1.00 1.32 C ATOM 913 CD2 TRP A 57 2.415 -5.314 -5.643 1.00 1.16 C ATOM 914 NE1 TRP A 57 1.396 -6.983 -4.613 1.00 1.33 N ATOM 915 CE2 TRP A 57 1.343 -6.228 -5.767 1.00 1.24 C ATOM 916 CE3 TRP A 57 2.625 -4.392 -6.683 1.00 1.09 C ATOM 917 CZ2 TRP A 57 0.508 -6.228 -6.884 1.00 1.26 C ATOM 918 CZ3 TRP A 57 1.789 -4.390 -7.811 1.00 1.11 C ATOM 919 CH2 TRP A 57 0.732 -5.306 -7.910 1.00 1.20 C ATOM 0 H TRP A 57 2.561 -5.071 -1.956 1.00 1.22 H new ATOM 0 HA TRP A 57 4.745 -3.259 -2.461 1.00 1.16 H new ATOM 0 HB2 TRP A 57 4.911 -4.483 -4.609 1.00 1.22 H new ATOM 0 HB3 TRP A 57 4.887 -5.569 -3.234 1.00 1.22 H new ATOM 0 HD1 TRP A 57 2.685 -7.032 -2.838 1.00 1.32 H new ATOM 0 HE1 TRP A 57 0.747 -7.739 -4.393 1.00 1.33 H new ATOM 0 HE3 TRP A 57 3.435 -3.681 -6.614 1.00 1.09 H new ATOM 0 HZ2 TRP A 57 -0.305 -6.935 -6.956 1.00 1.26 H new ATOM 0 HZ3 TRP A 57 1.961 -3.680 -8.606 1.00 1.11 H new ATOM 0 HH2 TRP A 57 0.091 -5.299 -8.779 1.00 1.20 H new ATOM 930 N VAL A 58 1.781 -2.716 -3.713 1.00 0.97 N ATOM 931 CA VAL A 58 0.982 -1.736 -4.442 1.00 0.87 C ATOM 932 C VAL A 58 0.992 -0.417 -3.676 1.00 0.89 C ATOM 933 O VAL A 58 1.120 0.658 -4.259 1.00 0.88 O ATOM 934 CB VAL A 58 -0.467 -2.223 -4.615 1.00 0.86 C ATOM 935 CG1 VAL A 58 -1.315 -1.134 -5.291 1.00 0.81 C ATOM 936 CG2 VAL A 58 -0.481 -3.482 -5.487 1.00 0.93 C ATOM 0 H VAL A 58 1.242 -3.430 -3.223 1.00 0.97 H new ATOM 0 HA VAL A 58 1.414 -1.599 -5.433 1.00 0.87 H new ATOM 0 HB VAL A 58 -0.884 -2.445 -3.633 1.00 0.86 H new ATOM 0 HG11 VAL A 58 -2.338 -1.490 -5.408 1.00 0.81 H new ATOM 0 HG12 VAL A 58 -1.312 -0.235 -4.674 1.00 0.81 H new ATOM 0 HG13 VAL A 58 -0.897 -0.903 -6.271 1.00 0.81 H new ATOM 0 HG21 VAL A 58 -1.507 -3.828 -5.610 1.00 0.93 H new ATOM 0 HG22 VAL A 58 -0.056 -3.253 -6.464 1.00 0.93 H new ATOM 0 HG23 VAL A 58 0.110 -4.263 -5.008 1.00 0.93 H new ATOM 946 N GLN A 59 0.856 -0.518 -2.356 1.00 0.99 N ATOM 947 CA GLN A 59 0.855 0.672 -1.512 1.00 1.08 C ATOM 948 C GLN A 59 2.191 1.386 -1.634 1.00 1.13 C ATOM 949 O GLN A 59 2.252 2.596 -1.853 1.00 1.21 O ATOM 950 CB GLN A 59 0.614 0.298 -0.048 1.00 1.22 C ATOM 951 CG GLN A 59 -0.888 0.152 0.202 1.00 1.67 C ATOM 952 CD GLN A 59 -1.139 -0.041 1.693 1.00 2.01 C ATOM 953 OE1 GLN A 59 -1.326 -1.165 2.158 1.00 2.67 O ATOM 954 NE2 GLN A 59 -1.153 1.001 2.480 1.00 2.31 N ATOM 0 H GLN A 59 0.747 -1.399 -1.854 1.00 0.99 H new ATOM 0 HA GLN A 59 0.051 1.329 -1.844 1.00 1.08 H new ATOM 0 HB2 GLN A 59 1.125 -0.635 0.189 1.00 1.22 H new ATOM 0 HB3 GLN A 59 1.029 1.064 0.607 1.00 1.22 H new ATOM 0 HG2 GLN A 59 -1.415 1.037 -0.155 1.00 1.67 H new ATOM 0 HG3 GLN A 59 -1.279 -0.698 -0.357 1.00 1.67 H new ATOM 0 HE21 GLN A 59 -0.998 1.933 2.095 1.00 2.31 H new ATOM 0 HE22 GLN A 59 -1.319 0.883 3.479 1.00 2.31 H new ATOM 963 N ASP A 60 3.261 0.613 -1.514 1.00 1.13 N ATOM 964 CA ASP A 60 4.600 1.169 -1.639 1.00 1.20 C ATOM 965 C ASP A 60 4.810 1.669 -3.064 1.00 1.12 C ATOM 966 O ASP A 60 5.492 2.666 -3.298 1.00 1.20 O ATOM 967 CB ASP A 60 5.657 0.110 -1.311 1.00 1.26 C ATOM 968 CG ASP A 60 6.810 0.753 -0.545 1.00 1.41 C ATOM 969 OD1 ASP A 60 7.664 1.342 -1.186 1.00 1.75 O ATOM 970 OD2 ASP A 60 6.820 0.646 0.670 1.00 1.87 O ATOM 0 H ASP A 60 3.229 -0.390 -1.332 1.00 1.13 H new ATOM 0 HA ASP A 60 4.702 1.995 -0.936 1.00 1.20 H new ATOM 0 HB2 ASP A 60 5.213 -0.688 -0.716 1.00 1.26 H new ATOM 0 HB3 ASP A 60 6.027 -0.345 -2.230 1.00 1.26 H new ATOM 975 N SER A 61 4.201 0.960 -4.014 1.00 1.01 N ATOM 976 CA SER A 61 4.308 1.333 -5.418 1.00 0.96 C ATOM 977 C SER A 61 3.638 2.679 -5.655 1.00 0.98 C ATOM 978 O SER A 61 4.238 3.600 -6.211 1.00 1.05 O ATOM 979 CB SER A 61 3.648 0.276 -6.307 1.00 0.90 C ATOM 980 OG SER A 61 4.635 -0.648 -6.748 1.00 0.96 O ATOM 0 H SER A 61 3.634 0.131 -3.836 1.00 1.01 H new ATOM 0 HA SER A 61 5.366 1.403 -5.673 1.00 0.96 H new ATOM 0 HB2 SER A 61 2.867 -0.245 -5.754 1.00 0.90 H new ATOM 0 HB3 SER A 61 3.169 0.751 -7.163 1.00 0.90 H new ATOM 0 HG SER A 61 4.712 -1.379 -6.099 1.00 0.96 H new ATOM 986 N MET A 62 2.385 2.786 -5.223 1.00 0.97 N ATOM 987 CA MET A 62 1.642 4.031 -5.390 1.00 1.03 C ATOM 988 C MET A 62 2.314 5.154 -4.613 1.00 1.17 C ATOM 989 O MET A 62 2.458 6.271 -5.110 1.00 1.25 O ATOM 990 CB MET A 62 0.202 3.870 -4.898 1.00 1.03 C ATOM 991 CG MET A 62 -0.712 4.825 -5.669 1.00 1.58 C ATOM 992 SD MET A 62 -2.308 4.944 -4.825 1.00 1.92 S ATOM 993 CE MET A 62 -1.866 6.285 -3.691 1.00 1.85 C ATOM 0 H MET A 62 1.869 2.037 -4.761 1.00 0.97 H new ATOM 0 HA MET A 62 1.631 4.278 -6.452 1.00 1.03 H new ATOM 0 HB2 MET A 62 -0.128 2.841 -5.039 1.00 1.03 H new ATOM 0 HB3 MET A 62 0.146 4.080 -3.830 1.00 1.03 H new ATOM 0 HG2 MET A 62 -0.251 5.810 -5.739 1.00 1.58 H new ATOM 0 HG3 MET A 62 -0.853 4.467 -6.689 1.00 1.58 H new ATOM 0 HE1 MET A 62 -2.722 6.526 -3.061 1.00 1.85 H new ATOM 0 HE2 MET A 62 -1.032 5.971 -3.064 1.00 1.85 H new ATOM 0 HE3 MET A 62 -1.577 7.166 -4.264 1.00 1.85 H new ATOM 1003 N LYS A 63 2.734 4.845 -3.391 1.00 1.24 N ATOM 1004 CA LYS A 63 3.402 5.837 -2.557 1.00 1.40 C ATOM 1005 C LYS A 63 4.738 6.219 -3.181 1.00 1.44 C ATOM 1006 O LYS A 63 5.140 7.382 -3.171 1.00 1.58 O ATOM 1007 CB LYS A 63 3.643 5.287 -1.150 1.00 1.47 C ATOM 1008 CG LYS A 63 2.324 5.274 -0.375 1.00 1.72 C ATOM 1009 CD LYS A 63 2.532 4.580 0.973 1.00 1.92 C ATOM 1010 CE LYS A 63 2.835 5.627 2.046 1.00 2.24 C ATOM 1011 NZ LYS A 63 4.286 5.964 2.014 1.00 2.73 N ATOM 0 H LYS A 63 2.626 3.927 -2.960 1.00 1.24 H new ATOM 0 HA LYS A 63 2.760 6.715 -2.488 1.00 1.40 H new ATOM 0 HB2 LYS A 63 4.053 4.279 -1.207 1.00 1.47 H new ATOM 0 HB3 LYS A 63 4.377 5.901 -0.629 1.00 1.47 H new ATOM 0 HG2 LYS A 63 1.970 6.293 -0.221 1.00 1.72 H new ATOM 0 HG3 LYS A 63 1.557 4.754 -0.949 1.00 1.72 H new ATOM 0 HD2 LYS A 63 1.641 4.014 1.244 1.00 1.92 H new ATOM 0 HD3 LYS A 63 3.353 3.867 0.904 1.00 1.92 H new ATOM 0 HE2 LYS A 63 2.239 6.523 1.874 1.00 2.24 H new ATOM 0 HE3 LYS A 63 2.561 5.246 3.030 1.00 2.24 H new ATOM 0 HZ1 LYS A 63 4.601 6.234 2.968 1.00 2.73 H new ATOM 0 HZ2 LYS A 63 4.828 5.137 1.692 1.00 2.73 H new ATOM 0 HZ3 LYS A 63 4.444 6.757 1.360 1.00 2.73 H new ATOM 1025 N TYR A 64 5.412 5.218 -3.735 1.00 1.34 N ATOM 1026 CA TYR A 64 6.702 5.437 -4.378 1.00 1.39 C ATOM 1027 C TYR A 64 6.520 6.340 -5.596 1.00 1.43 C ATOM 1028 O TYR A 64 7.209 7.347 -5.751 1.00 1.56 O ATOM 1029 CB TYR A 64 7.307 4.083 -4.800 1.00 1.30 C ATOM 1030 CG TYR A 64 8.574 4.281 -5.605 1.00 1.35 C ATOM 1031 CD1 TYR A 64 9.717 4.823 -5.006 1.00 1.54 C ATOM 1032 CD2 TYR A 64 8.597 3.917 -6.957 1.00 1.43 C ATOM 1033 CE1 TYR A 64 10.884 5.001 -5.759 1.00 1.59 C ATOM 1034 CE2 TYR A 64 9.762 4.095 -7.710 1.00 1.50 C ATOM 1035 CZ TYR A 64 10.906 4.637 -7.113 1.00 1.48 C ATOM 1036 OH TYR A 64 12.055 4.814 -7.856 1.00 1.57 O ATOM 0 H TYR A 64 5.089 4.251 -3.752 1.00 1.34 H new ATOM 0 HA TYR A 64 7.382 5.923 -3.678 1.00 1.39 H new ATOM 0 HB2 TYR A 64 7.524 3.486 -3.914 1.00 1.30 H new ATOM 0 HB3 TYR A 64 6.581 3.524 -5.390 1.00 1.30 H new ATOM 0 HD1 TYR A 64 9.699 5.104 -3.963 1.00 1.54 H new ATOM 0 HD2 TYR A 64 7.715 3.499 -7.418 1.00 1.43 H new ATOM 0 HE1 TYR A 64 11.767 5.418 -5.297 1.00 1.59 H new ATOM 0 HE2 TYR A 64 9.779 3.814 -8.753 1.00 1.50 H new ATOM 0 HH TYR A 64 11.901 4.510 -8.775 1.00 1.57 H new ATOM 1046 N LEU A 65 5.581 5.963 -6.452 1.00 1.34 N ATOM 1047 CA LEU A 65 5.309 6.741 -7.652 1.00 1.41 C ATOM 1048 C LEU A 65 4.752 8.105 -7.273 1.00 1.53 C ATOM 1049 O LEU A 65 5.109 9.127 -7.857 1.00 1.67 O ATOM 1050 CB LEU A 65 4.309 6.007 -8.543 1.00 1.32 C ATOM 1051 CG LEU A 65 5.009 4.818 -9.198 1.00 1.27 C ATOM 1052 CD1 LEU A 65 3.986 3.963 -9.945 1.00 1.21 C ATOM 1053 CD2 LEU A 65 6.060 5.333 -10.181 1.00 1.41 C ATOM 0 H LEU A 65 5.000 5.132 -6.340 1.00 1.34 H new ATOM 0 HA LEU A 65 6.242 6.873 -8.200 1.00 1.41 H new ATOM 0 HB2 LEU A 65 3.459 5.665 -7.953 1.00 1.32 H new ATOM 0 HB3 LEU A 65 3.918 6.681 -9.305 1.00 1.32 H new ATOM 0 HG LEU A 65 5.489 4.211 -8.431 1.00 1.27 H new ATOM 0 HD11 LEU A 65 4.490 3.116 -10.411 1.00 1.21 H new ATOM 0 HD12 LEU A 65 3.236 3.598 -9.244 1.00 1.21 H new ATOM 0 HD13 LEU A 65 3.502 4.564 -10.714 1.00 1.21 H new ATOM 0 HD21 LEU A 65 6.563 4.488 -10.652 1.00 1.41 H new ATOM 0 HD22 LEU A 65 5.576 5.939 -10.947 1.00 1.41 H new ATOM 0 HD23 LEU A 65 6.792 5.939 -9.647 1.00 1.41 H new ATOM 1065 N ASP A 66 3.878 8.103 -6.276 1.00 1.50 N ATOM 1066 CA ASP A 66 3.271 9.343 -5.801 1.00 1.63 C ATOM 1067 C ASP A 66 4.343 10.280 -5.257 1.00 1.79 C ATOM 1068 O ASP A 66 4.280 11.495 -5.442 1.00 1.95 O ATOM 1069 CB ASP A 66 2.256 9.058 -4.692 1.00 1.59 C ATOM 1070 CG ASP A 66 0.916 8.673 -5.311 1.00 1.51 C ATOM 1071 OD1 ASP A 66 0.920 7.872 -6.231 1.00 1.79 O ATOM 1072 OD2 ASP A 66 -0.093 9.186 -4.858 1.00 1.88 O ATOM 0 H ASP A 66 3.574 7.264 -5.782 1.00 1.50 H new ATOM 0 HA ASP A 66 2.763 9.812 -6.644 1.00 1.63 H new ATOM 0 HB2 ASP A 66 2.617 8.253 -4.053 1.00 1.59 H new ATOM 0 HB3 ASP A 66 2.137 9.938 -4.060 1.00 1.59 H new ATOM 1077 N GLN A 67 5.331 9.698 -4.580 1.00 1.77 N ATOM 1078 CA GLN A 67 6.418 10.487 -4.009 1.00 1.93 C ATOM 1079 C GLN A 67 7.285 11.086 -5.117 1.00 1.94 C ATOM 1080 O GLN A 67 7.889 12.145 -4.945 1.00 1.94 O ATOM 1081 CB GLN A 67 7.290 9.615 -3.094 1.00 1.99 C ATOM 1082 CG GLN A 67 6.944 9.894 -1.629 1.00 2.39 C ATOM 1083 CD GLN A 67 5.531 9.404 -1.332 1.00 2.65 C ATOM 1084 OE1 GLN A 67 5.341 8.283 -0.862 1.00 3.11 O ATOM 1085 NE2 GLN A 67 4.516 10.187 -1.580 1.00 3.00 N ATOM 0 H GLN A 67 5.401 8.694 -4.415 1.00 1.77 H new ATOM 0 HA GLN A 67 5.979 11.294 -3.423 1.00 1.93 H new ATOM 0 HB2 GLN A 67 7.130 8.561 -3.321 1.00 1.99 H new ATOM 0 HB3 GLN A 67 8.345 9.824 -3.274 1.00 1.99 H new ATOM 0 HG2 GLN A 67 7.658 9.393 -0.975 1.00 2.39 H new ATOM 0 HG3 GLN A 67 7.019 10.962 -1.425 1.00 2.39 H new ATOM 0 HE21 GLN A 67 4.672 11.117 -1.970 1.00 3.00 H new ATOM 0 HE22 GLN A 67 3.567 9.869 -1.384 1.00 3.00 H new ATOM 1094 N LYS A 68 7.340 10.397 -6.257 1.00 2.05 N ATOM 1095 CA LYS A 68 8.137 10.872 -7.387 1.00 2.09 C ATOM 1096 C LYS A 68 7.665 12.252 -7.838 1.00 2.06 C ATOM 1097 O LYS A 68 8.452 13.065 -8.320 1.00 2.22 O ATOM 1098 CB LYS A 68 8.028 9.900 -8.564 1.00 2.32 C ATOM 1099 CG LYS A 68 9.222 10.094 -9.498 1.00 2.71 C ATOM 1100 CD LYS A 68 8.821 9.715 -10.926 1.00 3.04 C ATOM 1101 CE LYS A 68 9.722 10.449 -11.921 1.00 3.75 C ATOM 1102 NZ LYS A 68 9.297 11.874 -12.017 1.00 4.18 N ATOM 0 H LYS A 68 6.848 9.519 -6.421 1.00 2.05 H new ATOM 0 HA LYS A 68 9.175 10.935 -7.060 1.00 2.09 H new ATOM 0 HB2 LYS A 68 8.001 8.873 -8.200 1.00 2.32 H new ATOM 0 HB3 LYS A 68 7.098 10.071 -9.106 1.00 2.32 H new ATOM 0 HG2 LYS A 68 9.557 11.131 -9.466 1.00 2.71 H new ATOM 0 HG3 LYS A 68 10.059 9.478 -9.168 1.00 2.71 H new ATOM 0 HD2 LYS A 68 8.909 8.638 -11.066 1.00 3.04 H new ATOM 0 HD3 LYS A 68 7.778 9.975 -11.103 1.00 3.04 H new ATOM 0 HE2 LYS A 68 10.762 10.389 -11.599 1.00 3.75 H new ATOM 0 HE3 LYS A 68 9.663 9.974 -12.900 1.00 3.75 H new ATOM 0 HZ1 LYS A 68 9.656 12.284 -12.903 1.00 4.18 H new ATOM 0 HZ2 LYS A 68 8.258 11.928 -12.006 1.00 4.18 H new ATOM 0 HZ3 LYS A 68 9.680 12.406 -11.209 1.00 4.18 H new ATOM 1116 N SER A 69 6.369 12.506 -7.673 1.00 2.09 N ATOM 1117 CA SER A 69 5.798 13.792 -8.066 1.00 2.28 C ATOM 1118 C SER A 69 6.058 14.845 -6.977 1.00 2.32 C ATOM 1119 O SER A 69 5.532 14.729 -5.871 1.00 2.61 O ATOM 1120 CB SER A 69 4.288 13.660 -8.270 1.00 2.57 C ATOM 1121 OG SER A 69 4.028 13.277 -9.614 1.00 2.77 O ATOM 0 H SER A 69 5.701 11.847 -7.274 1.00 2.09 H new ATOM 0 HA SER A 69 6.270 14.103 -8.998 1.00 2.28 H new ATOM 0 HB2 SER A 69 3.880 12.919 -7.583 1.00 2.57 H new ATOM 0 HB3 SER A 69 3.795 14.606 -8.047 1.00 2.57 H new ATOM 0 HG SER A 69 3.061 13.190 -9.748 1.00 2.77 H new ATOM 1127 N PRO A 70 6.867 15.886 -7.259 1.00 2.69 N ATOM 1128 CA PRO A 70 7.159 16.930 -6.260 1.00 3.05 C ATOM 1129 C PRO A 70 6.065 17.994 -6.185 1.00 3.18 C ATOM 1130 O PRO A 70 4.971 17.819 -6.722 1.00 3.67 O ATOM 1131 CB PRO A 70 8.459 17.529 -6.784 1.00 3.88 C ATOM 1132 CG PRO A 70 8.512 17.244 -8.280 1.00 4.16 C ATOM 1133 CD PRO A 70 7.537 16.097 -8.565 1.00 3.37 C ATOM 0 HA PRO A 70 7.223 16.533 -5.247 1.00 3.05 H new ATOM 0 HB2 PRO A 70 8.493 18.602 -6.595 1.00 3.88 H new ATOM 0 HB3 PRO A 70 9.318 17.089 -6.277 1.00 3.88 H new ATOM 0 HG2 PRO A 70 8.237 18.132 -8.849 1.00 4.16 H new ATOM 0 HG3 PRO A 70 9.523 16.972 -8.583 1.00 4.16 H new ATOM 0 HD2 PRO A 70 6.823 16.361 -9.345 1.00 3.37 H new ATOM 0 HD3 PRO A 70 8.058 15.200 -8.899 1.00 3.37 H new ATOM 1141 N THR A 71 6.376 19.098 -5.512 1.00 3.48 N ATOM 1142 CA THR A 71 5.415 20.188 -5.369 1.00 4.29 C ATOM 1143 C THR A 71 5.970 21.474 -5.993 1.00 5.01 C ATOM 1144 O THR A 71 7.185 21.659 -6.059 1.00 5.40 O ATOM 1145 CB THR A 71 5.108 20.442 -3.892 1.00 4.74 C ATOM 1146 OG1 THR A 71 6.320 20.694 -3.195 1.00 5.01 O ATOM 1147 CG2 THR A 71 4.418 19.216 -3.293 1.00 5.27 C ATOM 0 H THR A 71 7.276 19.261 -5.061 1.00 3.48 H new ATOM 0 HA THR A 71 4.499 19.899 -5.884 1.00 4.29 H new ATOM 0 HB THR A 71 4.450 21.306 -3.801 1.00 4.74 H new ATOM 0 HG1 THR A 71 6.125 20.859 -2.249 1.00 5.01 H new ATOM 0 HG21 THR A 71 4.200 19.399 -2.241 1.00 5.27 H new ATOM 0 HG22 THR A 71 3.488 19.024 -3.828 1.00 5.27 H new ATOM 0 HG23 THR A 71 5.073 18.350 -3.383 1.00 5.27 H new ATOM 1155 N PRO A 72 5.092 22.379 -6.456 1.00 5.63 N ATOM 1156 CA PRO A 72 5.531 23.646 -7.071 1.00 6.67 C ATOM 1157 C PRO A 72 5.871 24.715 -6.033 1.00 7.41 C ATOM 1158 O PRO A 72 5.100 25.647 -5.806 1.00 7.87 O ATOM 1159 CB PRO A 72 4.311 24.050 -7.889 1.00 7.26 C ATOM 1160 CG PRO A 72 3.101 23.373 -7.255 1.00 6.87 C ATOM 1161 CD PRO A 72 3.620 22.210 -6.403 1.00 5.76 C ATOM 0 HA PRO A 72 6.445 23.536 -7.654 1.00 6.67 H new ATOM 0 HB2 PRO A 72 4.190 25.133 -7.890 1.00 7.26 H new ATOM 0 HB3 PRO A 72 4.425 23.741 -8.928 1.00 7.26 H new ATOM 0 HG2 PRO A 72 2.544 24.080 -6.640 1.00 6.87 H new ATOM 0 HG3 PRO A 72 2.418 23.011 -8.023 1.00 6.87 H new ATOM 0 HD2 PRO A 72 3.246 22.262 -5.381 1.00 5.76 H new ATOM 0 HD3 PRO A 72 3.311 21.246 -6.807 1.00 5.76 H new ATOM 1169 N LYS A 73 7.035 24.567 -5.409 1.00 7.81 N ATOM 1170 CA LYS A 73 7.472 25.522 -4.395 1.00 8.76 C ATOM 1171 C LYS A 73 8.930 25.259 -4.003 1.00 9.13 C ATOM 1172 O LYS A 73 9.195 24.556 -3.028 1.00 9.30 O ATOM 1173 CB LYS A 73 6.593 25.419 -3.147 1.00 9.36 C ATOM 1174 CG LYS A 73 6.498 26.790 -2.474 1.00 9.82 C ATOM 1175 CD LYS A 73 5.401 27.616 -3.148 1.00 10.66 C ATOM 1176 CE LYS A 73 4.943 28.726 -2.201 1.00 11.15 C ATOM 1177 NZ LYS A 73 3.664 29.307 -2.700 1.00 11.77 N ATOM 0 H LYS A 73 7.688 23.803 -5.585 1.00 7.81 H new ATOM 0 HA LYS A 73 7.385 26.523 -4.817 1.00 8.76 H new ATOM 0 HB2 LYS A 73 5.598 25.066 -3.418 1.00 9.36 H new ATOM 0 HB3 LYS A 73 7.012 24.690 -2.453 1.00 9.36 H new ATOM 0 HG2 LYS A 73 6.278 26.671 -1.413 1.00 9.82 H new ATOM 0 HG3 LYS A 73 7.454 27.309 -2.545 1.00 9.82 H new ATOM 0 HD2 LYS A 73 5.775 28.047 -4.077 1.00 10.66 H new ATOM 0 HD3 LYS A 73 4.558 26.976 -3.410 1.00 10.66 H new ATOM 0 HE2 LYS A 73 4.806 28.328 -1.196 1.00 11.15 H new ATOM 0 HE3 LYS A 73 5.706 29.501 -2.136 1.00 11.15 H new ATOM 0 HZ1 LYS A 73 3.351 30.062 -2.057 1.00 11.77 H new ATOM 0 HZ2 LYS A 73 3.810 29.701 -3.651 1.00 11.77 H new ATOM 0 HZ3 LYS A 73 2.938 28.564 -2.740 1.00 11.77 H new ATOM 1191 N PRO A 74 9.896 25.816 -4.755 1.00 9.55 N ATOM 1192 CA PRO A 74 11.326 25.619 -4.456 1.00 10.20 C ATOM 1193 C PRO A 74 11.833 26.562 -3.367 1.00 10.72 C ATOM 1194 O PRO A 74 12.777 26.196 -2.686 1.00 11.10 O ATOM 1195 CB PRO A 74 11.984 25.935 -5.794 1.00 10.64 C ATOM 1196 CG PRO A 74 11.025 26.836 -6.563 1.00 10.42 C ATOM 1197 CD PRO A 74 9.635 26.669 -5.939 1.00 9.69 C ATOM 1198 OXT PRO A 74 11.268 27.635 -3.231 1.00 10.91 O ATOM 0 HA PRO A 74 11.541 24.621 -4.073 1.00 10.20 H new ATOM 0 HB2 PRO A 74 12.943 26.432 -5.644 1.00 10.64 H new ATOM 0 HB3 PRO A 74 12.183 25.020 -6.351 1.00 10.64 H new ATOM 0 HG2 PRO A 74 11.348 27.876 -6.507 1.00 10.42 H new ATOM 0 HG3 PRO A 74 11.007 26.564 -7.618 1.00 10.42 H new ATOM 0 HD2 PRO A 74 9.202 27.629 -5.656 1.00 9.69 H new ATOM 0 HD3 PRO A 74 8.937 26.196 -6.630 1.00 9.69 H new TER 1206 PRO A 74