USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 396 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 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 170:sc= -0.0221 (180deg=-0.134) USER MOD Single : A 98 CYS SG : rot 90:sc= -0.28 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 74:sc= 0.0979 USER MOD Single : A 107 CYS SG : rot 180:sc= -0.734 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc=-0.000607 USER MOD Single : A 115 SER OG : rot 180:sc= -0.136 USER MOD Single : A 119 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0471) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 CYS SG : rot 140:sc= -1.2 USER MOD Single : A 127 TYR OH : rot 30:sc= -0.391 USER MOD Single : A 128 THR OG1 : rot 140:sc= 0.0908 USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 ASN : amide:sc= -0.029 K(o=-0.029,f=-3.1!) USER MOD Single : A 136 GLN : amide:sc= -0.0269 X(o=-0.027,f=-0.44) USER MOD Single : A 137 ASN : amide:sc= -0.245 X(o=-0.25,f=-0.023) USER MOD Single : A 139 SER OG : rot 180:sc= 0.0953 USER MOD Single : A 143 SER OG : rot 180:sc= 0.0677 USER MOD ----------------------------------------------------------------- ATOM 35 N TRP A 92 -2.442 8.734 -2.772 1.00 7.74 N ATOM 36 CA TRP A 92 -2.690 7.428 -2.173 1.00 7.12 C ATOM 37 C TRP A 92 -3.650 7.538 -0.992 1.00 7.81 C ATOM 38 O TRP A 92 -3.227 7.642 0.159 1.00 8.60 O ATOM 39 CB TRP A 92 -1.374 6.795 -1.719 1.00 6.73 C ATOM 40 CG TRP A 92 -0.513 6.324 -2.853 1.00 6.11 C ATOM 41 CD1 TRP A 92 0.801 6.628 -3.064 1.00 6.47 C ATOM 42 CD2 TRP A 92 -0.906 5.470 -3.934 1.00 5.26 C ATOM 43 NE1 TRP A 92 1.250 6.015 -4.209 1.00 5.95 N ATOM 44 CE2 TRP A 92 0.221 5.298 -4.760 1.00 5.17 C ATOM 45 CE3 TRP A 92 -2.099 4.829 -4.284 1.00 4.81 C ATOM 46 CZ2 TRP A 92 0.190 4.516 -5.912 1.00 4.65 C ATOM 47 CZ3 TRP A 92 -2.129 4.054 -5.428 1.00 4.27 C ATOM 48 CH2 TRP A 92 -0.991 3.903 -6.230 1.00 4.18 C ATOM 0 HA TRP A 92 -3.150 6.793 -2.930 1.00 7.12 H new ATOM 0 HB2 TRP A 92 -0.816 7.521 -1.127 1.00 6.73 H new ATOM 0 HB3 TRP A 92 -1.593 5.951 -1.065 1.00 6.73 H new ATOM 0 HD1 TRP A 92 1.400 7.259 -2.424 1.00 6.47 H new ATOM 0 HE1 TRP A 92 2.195 6.083 -4.587 1.00 5.95 H new ATOM 0 HE3 TRP A 92 -2.981 4.938 -3.671 1.00 4.81 H new ATOM 0 HZ2 TRP A 92 1.066 4.398 -6.532 1.00 4.65 H new ATOM 0 HZ3 TRP A 92 -3.046 3.556 -5.708 1.00 4.27 H new ATOM 0 HH2 TRP A 92 -1.047 3.290 -7.118 1.00 4.18 H new ATOM 59 N LYS A 93 -4.946 7.513 -1.289 1.00 7.67 N ATOM 60 CA LYS A 93 -5.973 7.609 -0.257 1.00 8.46 C ATOM 61 C LYS A 93 -6.502 6.225 0.110 1.00 8.08 C ATOM 62 O LYS A 93 -6.371 5.278 -0.665 1.00 7.25 O ATOM 63 CB LYS A 93 -7.122 8.498 -0.740 1.00 9.25 C ATOM 64 CG LYS A 93 -7.788 9.294 0.371 1.00 10.03 C ATOM 65 CD LYS A 93 -9.295 9.107 0.362 1.00 10.80 C ATOM 66 CE LYS A 93 -9.830 8.834 1.758 1.00 11.72 C ATOM 67 NZ LYS A 93 -10.300 10.080 2.426 1.00 12.39 N ATOM 0 H LYS A 93 -5.310 7.427 -2.238 1.00 7.67 H new ATOM 0 HA LYS A 93 -5.526 8.054 0.632 1.00 8.46 H new ATOM 0 HB2 LYS A 93 -6.743 9.189 -1.493 1.00 9.25 H new ATOM 0 HB3 LYS A 93 -7.871 7.875 -1.228 1.00 9.25 H new ATOM 0 HG2 LYS A 93 -7.387 8.981 1.335 1.00 10.03 H new ATOM 0 HG3 LYS A 93 -7.551 10.352 0.255 1.00 10.03 H new ATOM 0 HD2 LYS A 93 -9.771 10.000 -0.043 1.00 10.80 H new ATOM 0 HD3 LYS A 93 -9.556 8.279 -0.297 1.00 10.80 H new ATOM 0 HE2 LYS A 93 -10.653 8.121 1.699 1.00 11.72 H new ATOM 0 HE3 LYS A 93 -9.050 8.371 2.362 1.00 11.72 H new ATOM 0 HZ1 LYS A 93 -10.657 9.851 3.376 1.00 12.39 H new ATOM 0 HZ2 LYS A 93 -9.509 10.751 2.506 1.00 12.39 H new ATOM 0 HZ3 LYS A 93 -11.062 10.509 1.863 1.00 12.39 H new ATOM 81 N VAL A 94 -7.102 6.114 1.293 1.00 8.81 N ATOM 82 CA VAL A 94 -7.651 4.842 1.756 1.00 8.73 C ATOM 83 C VAL A 94 -8.660 4.293 0.757 1.00 8.69 C ATOM 84 O VAL A 94 -9.415 5.048 0.143 1.00 9.36 O ATOM 85 CB VAL A 94 -8.331 4.981 3.132 1.00 9.74 C ATOM 86 CG1 VAL A 94 -8.616 3.612 3.729 1.00 9.66 C ATOM 87 CG2 VAL A 94 -7.472 5.812 4.073 1.00 10.15 C ATOM 0 H VAL A 94 -7.220 6.888 1.947 1.00 8.81 H new ATOM 0 HA VAL A 94 -6.813 4.151 1.848 1.00 8.73 H new ATOM 0 HB VAL A 94 -9.281 5.497 2.995 1.00 9.74 H new ATOM 0 HG11 VAL A 94 -9.096 3.731 4.700 1.00 9.66 H new ATOM 0 HG12 VAL A 94 -9.276 3.055 3.064 1.00 9.66 H new ATOM 0 HG13 VAL A 94 -7.680 3.067 3.851 1.00 9.66 H new ATOM 0 HG21 VAL A 94 -7.969 5.898 5.039 1.00 10.15 H new ATOM 0 HG22 VAL A 94 -6.504 5.328 4.205 1.00 10.15 H new ATOM 0 HG23 VAL A 94 -7.326 6.806 3.650 1.00 10.15 H new ATOM 97 N GLY A 95 -8.660 2.975 0.586 1.00 8.04 N ATOM 98 CA GLY A 95 -9.572 2.352 -0.352 1.00 8.20 C ATOM 99 C GLY A 95 -9.152 2.590 -1.787 1.00 7.64 C ATOM 100 O GLY A 95 -9.820 3.315 -2.525 1.00 8.10 O ATOM 0 H GLY A 95 -8.045 2.329 1.080 1.00 8.04 H new ATOM 0 HA2 GLY A 95 -9.616 1.280 -0.159 1.00 8.20 H new ATOM 0 HA3 GLY A 95 -10.577 2.745 -0.197 1.00 8.20 H new ATOM 104 N ASP A 96 -8.040 1.979 -2.180 1.00 6.70 N ATOM 105 CA ASP A 96 -7.520 2.127 -3.532 1.00 6.20 C ATOM 106 C ASP A 96 -6.766 0.875 -3.964 1.00 5.53 C ATOM 107 O ASP A 96 -5.889 0.388 -3.247 1.00 4.92 O ATOM 108 CB ASP A 96 -6.598 3.345 -3.617 1.00 5.87 C ATOM 109 CG ASP A 96 -6.620 3.993 -4.988 1.00 6.35 C ATOM 110 OD1 ASP A 96 -5.853 3.549 -5.867 1.00 6.44 O ATOM 111 OD2 ASP A 96 -7.405 4.946 -5.183 1.00 6.81 O ATOM 0 H ASP A 96 -7.480 1.375 -1.578 1.00 6.70 H new ATOM 0 HA ASP A 96 -8.365 2.272 -4.205 1.00 6.20 H new ATOM 0 HB2 ASP A 96 -6.898 4.077 -2.867 1.00 5.87 H new ATOM 0 HB3 ASP A 96 -5.578 3.043 -3.377 1.00 5.87 H new ATOM 116 N LYS A 97 -7.116 0.358 -5.139 1.00 5.83 N ATOM 117 CA LYS A 97 -6.475 -0.837 -5.671 1.00 5.62 C ATOM 118 C LYS A 97 -5.134 -0.492 -6.310 1.00 4.80 C ATOM 119 O LYS A 97 -5.084 0.124 -7.374 1.00 4.86 O ATOM 120 CB LYS A 97 -7.385 -1.512 -6.698 1.00 6.55 C ATOM 121 CG LYS A 97 -8.171 -2.685 -6.135 1.00 7.39 C ATOM 122 CD LYS A 97 -7.327 -3.948 -6.086 1.00 7.70 C ATOM 123 CE LYS A 97 -8.079 -5.093 -5.427 1.00 8.21 C ATOM 124 NZ LYS A 97 -9.327 -5.435 -6.164 1.00 9.10 N ATOM 0 H LYS A 97 -7.841 0.750 -5.740 1.00 5.83 H new ATOM 0 HA LYS A 97 -6.298 -1.526 -4.845 1.00 5.62 H new ATOM 0 HB2 LYS A 97 -8.083 -0.774 -7.094 1.00 6.55 H new ATOM 0 HB3 LYS A 97 -6.780 -1.859 -7.535 1.00 6.55 H new ATOM 0 HG2 LYS A 97 -8.522 -2.441 -5.132 1.00 7.39 H new ATOM 0 HG3 LYS A 97 -9.055 -2.860 -6.748 1.00 7.39 H new ATOM 0 HD2 LYS A 97 -7.039 -4.234 -7.098 1.00 7.70 H new ATOM 0 HD3 LYS A 97 -6.407 -3.751 -5.536 1.00 7.70 H new ATOM 0 HE2 LYS A 97 -7.434 -5.970 -5.378 1.00 8.21 H new ATOM 0 HE3 LYS A 97 -8.326 -4.822 -4.401 1.00 8.21 H new ATOM 0 HZ1 LYS A 97 -9.721 -6.321 -5.788 1.00 9.10 H new ATOM 0 HZ2 LYS A 97 -10.021 -4.670 -6.045 1.00 9.10 H new ATOM 0 HZ3 LYS A 97 -9.112 -5.554 -7.175 1.00 9.10 H new ATOM 138 N CYS A 98 -4.051 -0.890 -5.652 1.00 4.16 N ATOM 139 CA CYS A 98 -2.710 -0.621 -6.155 1.00 3.60 C ATOM 140 C CYS A 98 -1.894 -1.906 -6.254 1.00 3.78 C ATOM 141 O CYS A 98 -2.444 -3.006 -6.197 1.00 4.46 O ATOM 142 CB CYS A 98 -1.997 0.385 -5.247 1.00 2.97 C ATOM 143 SG CYS A 98 -1.739 -0.201 -3.556 1.00 2.58 S ATOM 0 H CYS A 98 -4.076 -1.400 -4.769 1.00 4.16 H new ATOM 0 HA CYS A 98 -2.802 -0.197 -7.155 1.00 3.60 H new ATOM 0 HB2 CYS A 98 -1.030 0.633 -5.686 1.00 2.97 H new ATOM 0 HB3 CYS A 98 -2.579 1.306 -5.216 1.00 2.97 H new ATOM 0 HG CYS A 98 -0.595 -0.815 -3.479 1.00 2.58 H new ATOM 149 N SER A 99 -0.581 -1.759 -6.403 1.00 3.54 N ATOM 150 CA SER A 99 0.312 -2.906 -6.508 1.00 4.08 C ATOM 151 C SER A 99 1.449 -2.800 -5.499 1.00 3.73 C ATOM 152 O SER A 99 2.220 -1.840 -5.518 1.00 3.54 O ATOM 153 CB SER A 99 0.880 -3.006 -7.926 1.00 5.02 C ATOM 154 OG SER A 99 0.290 -4.081 -8.637 1.00 5.76 O ATOM 0 H SER A 99 -0.112 -0.855 -6.454 1.00 3.54 H new ATOM 0 HA SER A 99 -0.262 -3.806 -6.289 1.00 4.08 H new ATOM 0 HB2 SER A 99 0.702 -2.072 -8.459 1.00 5.02 H new ATOM 0 HB3 SER A 99 1.960 -3.146 -7.880 1.00 5.02 H new ATOM 0 HG SER A 99 0.668 -4.123 -9.540 1.00 5.76 H new ATOM 160 N ALA A 100 1.546 -3.788 -4.616 1.00 3.97 N ATOM 161 CA ALA A 100 2.589 -3.801 -3.598 1.00 3.95 C ATOM 162 C ALA A 100 3.581 -4.934 -3.835 1.00 4.93 C ATOM 163 O ALA A 100 3.195 -6.046 -4.194 1.00 5.47 O ATOM 164 CB ALA A 100 1.972 -3.919 -2.213 1.00 3.19 C ATOM 0 H ALA A 100 0.916 -4.589 -4.585 1.00 3.97 H new ATOM 0 HA ALA A 100 3.135 -2.860 -3.664 1.00 3.95 H new ATOM 0 HB1 ALA A 100 2.762 -3.928 -1.462 1.00 3.19 H new ATOM 0 HB2 ALA A 100 1.312 -3.070 -2.035 1.00 3.19 H new ATOM 0 HB3 ALA A 100 1.399 -4.844 -2.147 1.00 3.19 H new ATOM 170 N ILE A 101 4.860 -4.642 -3.624 1.00 5.36 N ATOM 171 CA ILE A 101 5.911 -5.635 -3.806 1.00 6.34 C ATOM 172 C ILE A 101 6.109 -6.453 -2.536 1.00 6.26 C ATOM 173 O ILE A 101 6.121 -5.907 -1.432 1.00 5.81 O ATOM 174 CB ILE A 101 7.253 -4.981 -4.192 1.00 7.10 C ATOM 175 CG1 ILE A 101 7.020 -3.755 -5.077 1.00 7.16 C ATOM 176 CG2 ILE A 101 8.148 -5.989 -4.897 1.00 8.16 C ATOM 177 CD1 ILE A 101 7.977 -2.617 -4.793 1.00 7.47 C ATOM 0 H ILE A 101 5.193 -3.725 -3.327 1.00 5.36 H new ATOM 0 HA ILE A 101 5.591 -6.287 -4.618 1.00 6.34 H new ATOM 0 HB ILE A 101 7.753 -4.652 -3.281 1.00 7.10 H new ATOM 0 HG12 ILE A 101 7.116 -4.048 -6.123 1.00 7.16 H new ATOM 0 HG13 ILE A 101 5.998 -3.404 -4.936 1.00 7.16 H new ATOM 0 HG21 ILE A 101 9.092 -5.514 -5.164 1.00 8.16 H new ATOM 0 HG22 ILE A 101 8.341 -6.831 -4.233 1.00 8.16 H new ATOM 0 HG23 ILE A 101 7.653 -6.345 -5.801 1.00 8.16 H new ATOM 0 HD11 ILE A 101 7.755 -1.781 -5.456 1.00 7.47 H new ATOM 0 HD12 ILE A 101 7.866 -2.298 -3.757 1.00 7.47 H new ATOM 0 HD13 ILE A 101 9.001 -2.952 -4.961 1.00 7.47 H new ATOM 189 N TRP A 102 6.265 -7.761 -2.698 1.00 6.86 N ATOM 190 CA TRP A 102 6.464 -8.652 -1.562 1.00 6.96 C ATOM 191 C TRP A 102 7.936 -8.713 -1.172 1.00 7.60 C ATOM 192 O TRP A 102 8.810 -8.837 -2.028 1.00 8.38 O ATOM 193 CB TRP A 102 5.950 -10.056 -1.892 1.00 7.61 C ATOM 194 CG TRP A 102 5.530 -10.847 -0.687 1.00 7.54 C ATOM 195 CD1 TRP A 102 5.527 -10.433 0.616 1.00 6.89 C ATOM 196 CD2 TRP A 102 5.050 -12.195 -0.680 1.00 8.31 C ATOM 197 NE1 TRP A 102 5.075 -11.443 1.430 1.00 7.22 N ATOM 198 CE2 TRP A 102 4.776 -12.535 0.659 1.00 8.10 C ATOM 199 CE3 TRP A 102 4.825 -13.147 -1.677 1.00 9.26 C ATOM 200 CZ2 TRP A 102 4.289 -13.787 1.022 1.00 8.82 C ATOM 201 CZ3 TRP A 102 4.341 -14.390 -1.314 1.00 9.95 C ATOM 202 CH2 TRP A 102 4.076 -14.700 0.026 1.00 9.73 C ATOM 0 H TRP A 102 6.258 -8.228 -3.605 1.00 6.86 H new ATOM 0 HA TRP A 102 5.900 -8.257 -0.717 1.00 6.96 H new ATOM 0 HB2 TRP A 102 5.103 -9.972 -2.573 1.00 7.61 H new ATOM 0 HB3 TRP A 102 6.731 -10.604 -2.420 1.00 7.61 H new ATOM 0 HD1 TRP A 102 5.835 -9.455 0.956 1.00 6.89 H new ATOM 0 HE1 TRP A 102 4.978 -11.389 2.444 1.00 7.22 H new ATOM 0 HE3 TRP A 102 5.026 -12.916 -2.713 1.00 9.26 H new ATOM 0 HZ2 TRP A 102 4.086 -14.029 2.055 1.00 8.82 H new ATOM 0 HZ3 TRP A 102 4.164 -15.134 -2.076 1.00 9.95 H new ATOM 0 HH2 TRP A 102 3.696 -15.679 0.278 1.00 9.73 H new ATOM 213 N SER A 103 8.202 -8.626 0.128 1.00 7.36 N ATOM 214 CA SER A 103 9.570 -8.672 0.634 1.00 8.04 C ATOM 215 C SER A 103 10.050 -10.113 0.778 1.00 8.76 C ATOM 216 O SER A 103 10.901 -10.413 1.616 1.00 9.24 O ATOM 217 CB SER A 103 9.666 -7.951 1.981 1.00 7.63 C ATOM 218 OG SER A 103 8.389 -7.526 2.425 1.00 7.51 O ATOM 0 H SER A 103 7.489 -8.523 0.850 1.00 7.36 H new ATOM 0 HA SER A 103 10.212 -8.165 -0.086 1.00 8.04 H new ATOM 0 HB2 SER A 103 10.109 -8.616 2.722 1.00 7.63 H new ATOM 0 HB3 SER A 103 10.328 -7.090 1.890 1.00 7.63 H new ATOM 0 HG SER A 103 7.877 -8.301 2.738 1.00 7.51 H new ATOM 224 N GLU A 104 9.499 -10.998 -0.046 1.00 8.96 N ATOM 225 CA GLU A 104 9.872 -12.408 -0.015 1.00 9.78 C ATOM 226 C GLU A 104 10.736 -12.766 -1.219 1.00 10.72 C ATOM 227 O GLU A 104 11.694 -13.530 -1.103 1.00 11.50 O ATOM 228 CB GLU A 104 8.619 -13.286 0.011 1.00 9.65 C ATOM 229 CG GLU A 104 8.407 -14.005 1.333 1.00 9.77 C ATOM 230 CD GLU A 104 8.463 -15.514 1.192 1.00 10.55 C ATOM 231 OE1 GLU A 104 9.535 -16.037 0.826 1.00 10.87 O ATOM 232 OE2 GLU A 104 7.433 -16.171 1.450 1.00 10.99 O ATOM 0 H GLU A 104 8.793 -10.764 -0.744 1.00 8.96 H new ATOM 0 HA GLU A 104 10.451 -12.588 0.891 1.00 9.78 H new ATOM 0 HB2 GLU A 104 7.747 -12.667 -0.200 1.00 9.65 H new ATOM 0 HB3 GLU A 104 8.686 -14.024 -0.788 1.00 9.65 H new ATOM 0 HG2 GLU A 104 9.167 -13.682 2.044 1.00 9.77 H new ATOM 0 HG3 GLU A 104 7.441 -13.718 1.747 1.00 9.77 H new ATOM 239 N ASP A 105 10.388 -12.207 -2.374 1.00 10.68 N ATOM 240 CA ASP A 105 11.131 -12.464 -3.603 1.00 11.61 C ATOM 241 C ASP A 105 11.172 -11.220 -4.483 1.00 11.51 C ATOM 242 O ASP A 105 11.782 -11.223 -5.554 1.00 12.31 O ATOM 243 CB ASP A 105 10.499 -13.625 -4.372 1.00 12.02 C ATOM 244 CG ASP A 105 11.533 -14.593 -4.913 1.00 12.58 C ATOM 245 OD1 ASP A 105 12.622 -14.696 -4.312 1.00 12.80 O ATOM 246 OD2 ASP A 105 11.252 -15.247 -5.940 1.00 12.93 O ATOM 0 H ASP A 105 9.596 -11.573 -2.485 1.00 10.68 H new ATOM 0 HA ASP A 105 12.153 -12.730 -3.332 1.00 11.61 H new ATOM 0 HB2 ASP A 105 9.813 -14.160 -3.716 1.00 12.02 H new ATOM 0 HB3 ASP A 105 9.908 -13.230 -5.198 1.00 12.02 H new ATOM 251 N GLY A 106 10.517 -10.156 -4.027 1.00 10.59 N ATOM 252 CA GLY A 106 10.491 -8.918 -4.782 1.00 10.51 C ATOM 253 C GLY A 106 9.621 -9.010 -6.021 1.00 10.58 C ATOM 254 O GLY A 106 10.017 -8.564 -7.099 1.00 11.27 O ATOM 0 H GLY A 106 10.003 -10.130 -3.146 1.00 10.59 H new ATOM 0 HA2 GLY A 106 10.124 -8.115 -4.143 1.00 10.51 H new ATOM 0 HA3 GLY A 106 11.507 -8.653 -5.075 1.00 10.51 H new ATOM 258 N CYS A 107 8.434 -9.588 -5.870 1.00 9.96 N ATOM 259 CA CYS A 107 7.506 -9.735 -6.985 1.00 10.08 C ATOM 260 C CYS A 107 6.328 -8.777 -6.842 1.00 9.03 C ATOM 261 O CYS A 107 6.024 -8.310 -5.745 1.00 8.22 O ATOM 262 CB CYS A 107 6.999 -11.175 -7.071 1.00 10.82 C ATOM 263 SG CYS A 107 8.311 -12.412 -7.214 1.00 12.07 S ATOM 0 H CYS A 107 8.092 -9.963 -4.985 1.00 9.96 H new ATOM 0 HA CYS A 107 8.041 -9.492 -7.903 1.00 10.08 H new ATOM 0 HB2 CYS A 107 6.404 -11.393 -6.184 1.00 10.82 H new ATOM 0 HB3 CYS A 107 6.335 -11.264 -7.931 1.00 10.82 H new ATOM 0 HG CYS A 107 7.784 -13.598 -7.278 1.00 12.07 H new ATOM 269 N ILE A 108 5.670 -8.488 -7.962 1.00 9.09 N ATOM 270 CA ILE A 108 4.524 -7.584 -7.962 1.00 8.18 C ATOM 271 C ILE A 108 3.222 -8.345 -7.735 1.00 8.20 C ATOM 272 O ILE A 108 2.893 -9.268 -8.480 1.00 9.05 O ATOM 273 CB ILE A 108 4.422 -6.804 -9.290 1.00 8.31 C ATOM 274 CG1 ILE A 108 5.814 -6.563 -9.878 1.00 8.80 C ATOM 275 CG2 ILE A 108 3.698 -5.484 -9.075 1.00 7.33 C ATOM 276 CD1 ILE A 108 6.036 -7.256 -11.206 1.00 9.51 C ATOM 0 H ILE A 108 5.910 -8.866 -8.879 1.00 9.09 H new ATOM 0 HA ILE A 108 4.679 -6.880 -7.145 1.00 8.18 H new ATOM 0 HB ILE A 108 3.848 -7.401 -9.999 1.00 8.31 H new ATOM 0 HG12 ILE A 108 5.965 -5.491 -10.007 1.00 8.80 H new ATOM 0 HG13 ILE A 108 6.565 -6.908 -9.167 1.00 8.80 H new ATOM 0 HG21 ILE A 108 3.634 -4.946 -10.021 1.00 7.33 H new ATOM 0 HG22 ILE A 108 2.693 -5.677 -8.699 1.00 7.33 H new ATOM 0 HG23 ILE A 108 4.247 -4.882 -8.351 1.00 7.33 H new ATOM 0 HD11 ILE A 108 7.043 -7.042 -11.564 1.00 9.51 H new ATOM 0 HD12 ILE A 108 5.917 -8.332 -11.079 1.00 9.51 H new ATOM 0 HD13 ILE A 108 5.308 -6.894 -11.932 1.00 9.51 H new ATOM 288 N TYR A 109 2.485 -7.953 -6.700 1.00 7.40 N ATOM 289 CA TYR A 109 1.219 -8.601 -6.376 1.00 7.58 C ATOM 290 C TYR A 109 0.133 -7.566 -6.086 1.00 6.75 C ATOM 291 O TYR A 109 0.426 -6.458 -5.637 1.00 5.79 O ATOM 292 CB TYR A 109 1.391 -9.522 -5.167 1.00 7.78 C ATOM 293 CG TYR A 109 2.198 -10.768 -5.459 1.00 8.74 C ATOM 294 CD1 TYR A 109 1.737 -11.723 -6.357 1.00 9.44 C ATOM 295 CD2 TYR A 109 3.420 -10.988 -4.837 1.00 9.05 C ATOM 296 CE1 TYR A 109 2.472 -12.861 -6.626 1.00 10.35 C ATOM 297 CE2 TYR A 109 4.160 -12.125 -5.101 1.00 9.98 C ATOM 298 CZ TYR A 109 3.682 -13.057 -5.996 1.00 10.60 C ATOM 299 OH TYR A 109 4.415 -14.191 -6.261 1.00 11.54 O ATOM 0 H TYR A 109 2.742 -7.191 -6.072 1.00 7.40 H new ATOM 0 HA TYR A 109 0.912 -9.192 -7.239 1.00 7.58 H new ATOM 0 HB2 TYR A 109 1.876 -8.966 -4.364 1.00 7.78 H new ATOM 0 HB3 TYR A 109 0.407 -9.815 -4.802 1.00 7.78 H new ATOM 0 HD1 TYR A 109 0.789 -11.573 -6.852 1.00 9.44 H new ATOM 0 HD2 TYR A 109 3.798 -10.259 -4.136 1.00 9.05 H new ATOM 0 HE1 TYR A 109 2.100 -13.594 -7.327 1.00 10.35 H new ATOM 0 HE2 TYR A 109 5.108 -12.282 -4.608 1.00 9.98 H new ATOM 0 HH TYR A 109 5.243 -14.176 -5.736 1.00 11.54 H new ATOM 309 N PRO A 110 -1.143 -7.918 -6.336 1.00 7.22 N ATOM 310 CA PRO A 110 -2.274 -7.014 -6.095 1.00 6.71 C ATOM 311 C PRO A 110 -2.389 -6.628 -4.622 1.00 6.03 C ATOM 312 O PRO A 110 -2.210 -7.464 -3.736 1.00 6.34 O ATOM 313 CB PRO A 110 -3.498 -7.832 -6.529 1.00 7.77 C ATOM 314 CG PRO A 110 -2.956 -8.915 -7.398 1.00 8.66 C ATOM 315 CD PRO A 110 -1.586 -9.218 -6.869 1.00 8.42 C ATOM 0 HA PRO A 110 -2.167 -6.075 -6.638 1.00 6.71 H new ATOM 0 HB2 PRO A 110 -4.022 -8.244 -5.667 1.00 7.77 H new ATOM 0 HB3 PRO A 110 -4.213 -7.213 -7.071 1.00 7.77 H new ATOM 0 HG2 PRO A 110 -3.593 -9.799 -7.363 1.00 8.66 H new ATOM 0 HG3 PRO A 110 -2.911 -8.595 -8.439 1.00 8.66 H new ATOM 0 HD2 PRO A 110 -1.613 -9.984 -6.094 1.00 8.42 H new ATOM 0 HD3 PRO A 110 -0.921 -9.581 -7.653 1.00 8.42 H new ATOM 323 N ALA A 111 -2.682 -5.356 -4.366 1.00 5.22 N ATOM 324 CA ALA A 111 -2.813 -4.864 -3.000 1.00 4.71 C ATOM 325 C ALA A 111 -3.916 -3.816 -2.888 1.00 4.65 C ATOM 326 O ALA A 111 -4.378 -3.276 -3.894 1.00 4.72 O ATOM 327 CB ALA A 111 -1.489 -4.291 -2.520 1.00 3.76 C ATOM 0 H ALA A 111 -2.833 -4.649 -5.086 1.00 5.22 H new ATOM 0 HA ALA A 111 -3.089 -5.706 -2.365 1.00 4.71 H new ATOM 0 HB1 ALA A 111 -1.599 -3.927 -1.499 1.00 3.76 H new ATOM 0 HB2 ALA A 111 -0.725 -5.068 -2.548 1.00 3.76 H new ATOM 0 HB3 ALA A 111 -1.192 -3.467 -3.169 1.00 3.76 H new ATOM 333 N THR A 112 -4.328 -3.531 -1.655 1.00 4.78 N ATOM 334 CA THR A 112 -5.374 -2.546 -1.402 1.00 5.14 C ATOM 335 C THR A 112 -5.072 -1.741 -0.140 1.00 4.91 C ATOM 336 O THR A 112 -5.085 -2.279 0.968 1.00 5.15 O ATOM 337 CB THR A 112 -6.752 -3.218 -1.254 1.00 6.32 C ATOM 338 OG1 THR A 112 -6.987 -4.103 -2.356 1.00 6.81 O ATOM 339 CG2 THR A 112 -7.862 -2.178 -1.189 1.00 6.83 C ATOM 0 H THR A 112 -3.952 -3.970 -0.815 1.00 4.78 H new ATOM 0 HA THR A 112 -5.397 -1.876 -2.261 1.00 5.14 H new ATOM 0 HB THR A 112 -6.754 -3.786 -0.323 1.00 6.32 H new ATOM 0 HG1 THR A 112 -7.864 -4.527 -2.253 1.00 6.81 H new ATOM 0 HG21 THR A 112 -8.824 -2.679 -1.085 1.00 6.83 H new ATOM 0 HG22 THR A 112 -7.698 -1.524 -0.332 1.00 6.83 H new ATOM 0 HG23 THR A 112 -7.859 -1.585 -2.104 1.00 6.83 H new ATOM 347 N ILE A 113 -4.797 -0.451 -0.315 1.00 4.70 N ATOM 348 CA ILE A 113 -4.488 0.426 0.810 1.00 4.93 C ATOM 349 C ILE A 113 -5.632 0.456 1.821 1.00 6.00 C ATOM 350 O ILE A 113 -6.671 1.071 1.581 1.00 6.70 O ATOM 351 CB ILE A 113 -4.192 1.864 0.340 1.00 4.99 C ATOM 352 CG1 ILE A 113 -3.059 1.863 -0.688 1.00 4.08 C ATOM 353 CG2 ILE A 113 -3.837 2.749 1.525 1.00 5.66 C ATOM 354 CD1 ILE A 113 -3.388 2.631 -1.950 1.00 4.34 C ATOM 0 H ILE A 113 -4.782 0.010 -1.225 1.00 4.70 H new ATOM 0 HA ILE A 113 -3.598 0.019 1.289 1.00 4.93 H new ATOM 0 HB ILE A 113 -5.088 2.267 -0.132 1.00 4.99 H new ATOM 0 HG12 ILE A 113 -2.166 2.292 -0.233 1.00 4.08 H new ATOM 0 HG13 ILE A 113 -2.819 0.833 -0.951 1.00 4.08 H new ATOM 0 HG21 ILE A 113 -3.631 3.760 1.175 1.00 5.66 H new ATOM 0 HG22 ILE A 113 -4.671 2.770 2.226 1.00 5.66 H new ATOM 0 HG23 ILE A 113 -2.954 2.351 2.025 1.00 5.66 H new ATOM 0 HD11 ILE A 113 -2.540 2.588 -2.634 1.00 4.34 H new ATOM 0 HD12 ILE A 113 -4.262 2.188 -2.428 1.00 4.34 H new ATOM 0 HD13 ILE A 113 -3.599 3.670 -1.699 1.00 4.34 H new ATOM 366 N ALA A 114 -5.435 -0.225 2.946 1.00 6.19 N ATOM 367 CA ALA A 114 -6.450 -0.292 3.992 1.00 7.25 C ATOM 368 C ALA A 114 -6.303 0.847 4.998 1.00 7.83 C ATOM 369 O ALA A 114 -7.297 1.345 5.531 1.00 8.77 O ATOM 370 CB ALA A 114 -6.379 -1.634 4.705 1.00 7.35 C ATOM 0 H ALA A 114 -4.580 -0.739 3.157 1.00 6.19 H new ATOM 0 HA ALA A 114 -7.424 -0.187 3.515 1.00 7.25 H new ATOM 0 HB1 ALA A 114 -7.141 -1.673 5.484 1.00 7.35 H new ATOM 0 HB2 ALA A 114 -6.551 -2.437 3.988 1.00 7.35 H new ATOM 0 HB3 ALA A 114 -5.394 -1.755 5.155 1.00 7.35 H new ATOM 376 N SER A 115 -5.065 1.254 5.262 1.00 7.42 N ATOM 377 CA SER A 115 -4.800 2.330 6.211 1.00 8.19 C ATOM 378 C SER A 115 -3.518 3.068 5.844 1.00 7.84 C ATOM 379 O SER A 115 -2.648 2.518 5.168 1.00 6.96 O ATOM 380 CB SER A 115 -4.694 1.770 7.630 1.00 8.69 C ATOM 381 OG SER A 115 -5.786 0.918 7.927 1.00 9.20 O ATOM 0 H SER A 115 -4.230 0.855 4.832 1.00 7.42 H new ATOM 0 HA SER A 115 -5.630 3.035 6.169 1.00 8.19 H new ATOM 0 HB2 SER A 115 -3.760 1.219 7.738 1.00 8.69 H new ATOM 0 HB3 SER A 115 -4.664 2.591 8.347 1.00 8.69 H new ATOM 0 HG SER A 115 -5.693 0.573 8.839 1.00 9.20 H new ATOM 387 N ILE A 116 -3.409 4.315 6.285 1.00 8.68 N ATOM 388 CA ILE A 116 -2.232 5.125 5.991 1.00 8.72 C ATOM 389 C ILE A 116 -1.810 5.957 7.196 1.00 9.82 C ATOM 390 O ILE A 116 -2.645 6.399 7.985 1.00 10.64 O ATOM 391 CB ILE A 116 -2.495 6.079 4.810 1.00 8.70 C ATOM 392 CG1 ILE A 116 -2.993 5.304 3.594 1.00 7.65 C ATOM 393 CG2 ILE A 116 -1.242 6.869 4.459 1.00 8.99 C ATOM 394 CD1 ILE A 116 -3.922 6.112 2.718 1.00 7.79 C ATOM 0 H ILE A 116 -4.118 4.787 6.846 1.00 8.68 H new ATOM 0 HA ILE A 116 -1.433 4.430 5.734 1.00 8.72 H new ATOM 0 HB ILE A 116 -3.269 6.784 5.113 1.00 8.70 H new ATOM 0 HG12 ILE A 116 -2.137 4.978 3.003 1.00 7.65 H new ATOM 0 HG13 ILE A 116 -3.510 4.405 3.930 1.00 7.65 H new ATOM 0 HG21 ILE A 116 -1.454 7.535 3.622 1.00 8.99 H new ATOM 0 HG22 ILE A 116 -0.930 7.458 5.321 1.00 8.99 H new ATOM 0 HG23 ILE A 116 -0.444 6.181 4.181 1.00 8.99 H new ATOM 0 HD11 ILE A 116 -4.242 5.506 1.870 1.00 7.79 H new ATOM 0 HD12 ILE A 116 -4.795 6.416 3.296 1.00 7.79 H new ATOM 0 HD13 ILE A 116 -3.401 6.998 2.355 1.00 7.79 H new ATOM 406 N ASP A 117 -0.505 6.175 7.320 1.00 9.92 N ATOM 407 CA ASP A 117 0.039 6.965 8.412 1.00 11.01 C ATOM 408 C ASP A 117 0.891 8.105 7.863 1.00 11.42 C ATOM 409 O ASP A 117 1.701 7.906 6.955 1.00 11.09 O ATOM 410 CB ASP A 117 0.873 6.085 9.344 1.00 11.04 C ATOM 411 CG ASP A 117 0.417 6.184 10.786 1.00 11.32 C ATOM 412 OD1 ASP A 117 0.160 7.313 11.251 1.00 11.44 O ATOM 413 OD2 ASP A 117 0.318 5.131 11.450 1.00 11.56 O ATOM 0 H ASP A 117 0.196 5.813 6.673 1.00 9.92 H new ATOM 0 HA ASP A 117 -0.789 7.387 8.982 1.00 11.01 H new ATOM 0 HB2 ASP A 117 0.809 5.048 9.015 1.00 11.04 H new ATOM 0 HB3 ASP A 117 1.921 6.377 9.275 1.00 11.04 H new ATOM 418 N PHE A 118 0.699 9.302 8.411 1.00 12.23 N ATOM 419 CA PHE A 118 1.445 10.472 7.965 1.00 12.79 C ATOM 420 C PHE A 118 2.607 10.783 8.905 1.00 13.61 C ATOM 421 O PHE A 118 3.247 11.828 8.787 1.00 14.24 O ATOM 422 CB PHE A 118 0.514 11.683 7.867 1.00 13.45 C ATOM 423 CG PHE A 118 -0.617 11.493 6.897 1.00 12.78 C ATOM 424 CD1 PHE A 118 -1.760 10.807 7.273 1.00 12.56 C ATOM 425 CD2 PHE A 118 -0.538 12.002 5.610 1.00 12.45 C ATOM 426 CE1 PHE A 118 -2.803 10.631 6.383 1.00 12.01 C ATOM 427 CE2 PHE A 118 -1.577 11.827 4.715 1.00 11.89 C ATOM 428 CZ PHE A 118 -2.712 11.140 5.103 1.00 11.67 C ATOM 0 H PHE A 118 0.035 9.486 9.163 1.00 12.23 H new ATOM 0 HA PHE A 118 1.857 10.251 6.980 1.00 12.79 H new ATOM 0 HB2 PHE A 118 0.104 11.896 8.854 1.00 13.45 H new ATOM 0 HB3 PHE A 118 1.096 12.555 7.568 1.00 13.45 H new ATOM 0 HD1 PHE A 118 -1.837 10.405 8.272 1.00 12.56 H new ATOM 0 HD2 PHE A 118 0.346 12.542 5.303 1.00 12.45 H new ATOM 0 HE1 PHE A 118 -3.689 10.095 6.689 1.00 12.01 H new ATOM 0 HE2 PHE A 118 -1.502 12.226 3.714 1.00 11.89 H new ATOM 0 HZ PHE A 118 -3.526 11.002 4.406 1.00 11.67 H new ATOM 438 N LYS A 119 2.878 9.872 9.832 1.00 13.66 N ATOM 439 CA LYS A 119 3.969 10.057 10.783 1.00 14.45 C ATOM 440 C LYS A 119 5.302 9.661 10.156 1.00 14.19 C ATOM 441 O LYS A 119 6.114 10.519 9.810 1.00 14.83 O ATOM 442 CB LYS A 119 3.720 9.237 12.051 1.00 14.52 C ATOM 443 CG LYS A 119 4.407 9.801 13.286 1.00 15.42 C ATOM 444 CD LYS A 119 3.899 11.186 13.625 1.00 16.01 C ATOM 445 CE LYS A 119 3.835 11.407 15.127 1.00 16.53 C ATOM 446 NZ LYS A 119 5.167 11.245 15.770 1.00 16.87 N ATOM 0 H LYS A 119 2.360 9.001 9.946 1.00 13.66 H new ATOM 0 HA LYS A 119 4.011 11.113 11.051 1.00 14.45 H new ATOM 0 HB2 LYS A 119 2.647 9.184 12.235 1.00 14.52 H new ATOM 0 HB3 LYS A 119 4.066 8.216 11.887 1.00 14.52 H new ATOM 0 HG2 LYS A 119 4.239 9.135 14.132 1.00 15.42 H new ATOM 0 HG3 LYS A 119 5.483 9.839 13.118 1.00 15.42 H new ATOM 0 HD2 LYS A 119 4.552 11.934 13.174 1.00 16.01 H new ATOM 0 HD3 LYS A 119 2.908 11.326 13.194 1.00 16.01 H new ATOM 0 HE2 LYS A 119 3.453 12.407 15.331 1.00 16.53 H new ATOM 0 HE3 LYS A 119 3.131 10.701 15.568 1.00 16.53 H new ATOM 0 HZ1 LYS A 119 5.101 11.503 16.775 1.00 16.87 H new ATOM 0 HZ2 LYS A 119 5.475 10.255 15.686 1.00 16.87 H new ATOM 0 HZ3 LYS A 119 5.857 11.864 15.299 1.00 16.87 H new ATOM 460 N ARG A 120 5.517 8.359 10.008 1.00 13.31 N ATOM 461 CA ARG A 120 6.748 7.850 9.415 1.00 13.08 C ATOM 462 C ARG A 120 6.592 7.685 7.907 1.00 12.15 C ATOM 463 O ARG A 120 7.345 6.945 7.272 1.00 11.68 O ATOM 464 CB ARG A 120 7.129 6.511 10.050 1.00 12.82 C ATOM 465 CG ARG A 120 8.064 6.644 11.241 1.00 13.39 C ATOM 466 CD ARG A 120 7.293 6.876 12.531 1.00 13.47 C ATOM 467 NE ARG A 120 8.093 7.579 13.529 1.00 14.06 N ATOM 468 CZ ARG A 120 8.190 7.196 14.800 1.00 14.44 C ATOM 469 NH1 ARG A 120 7.545 6.116 15.223 1.00 14.31 N ATOM 470 NH2 ARG A 120 8.933 7.894 15.648 1.00 15.09 N ATOM 0 H ARG A 120 4.855 7.636 10.290 1.00 13.31 H new ATOM 0 HA ARG A 120 7.542 8.572 9.605 1.00 13.08 H new ATOM 0 HB2 ARG A 120 6.221 5.998 10.367 1.00 12.82 H new ATOM 0 HB3 ARG A 120 7.603 5.883 9.296 1.00 12.82 H new ATOM 0 HG2 ARG A 120 8.667 5.741 11.334 1.00 13.39 H new ATOM 0 HG3 ARG A 120 8.753 7.472 11.074 1.00 13.39 H new ATOM 0 HD2 ARG A 120 6.393 7.453 12.316 1.00 13.47 H new ATOM 0 HD3 ARG A 120 6.968 5.918 12.936 1.00 13.47 H new ATOM 0 HE ARG A 120 8.606 8.410 13.236 1.00 14.06 H new ATOM 0 HH11 ARG A 120 6.973 5.577 14.573 1.00 14.31 H new ATOM 0 HH12 ARG A 120 7.622 5.825 16.198 1.00 14.31 H new ATOM 0 HH21 ARG A 120 9.430 8.724 15.326 1.00 15.09 H new ATOM 0 HH22 ARG A 120 9.007 7.600 16.622 1.00 15.09 H new ATOM 484 N GLU A 121 5.608 8.385 7.344 1.00 11.98 N ATOM 485 CA GLU A 121 5.342 8.328 5.911 1.00 11.15 C ATOM 486 C GLU A 121 5.257 6.882 5.428 1.00 10.00 C ATOM 487 O GLU A 121 6.120 6.414 4.684 1.00 9.65 O ATOM 488 CB GLU A 121 6.432 9.074 5.138 1.00 11.64 C ATOM 489 CG GLU A 121 6.674 10.488 5.643 1.00 12.24 C ATOM 490 CD GLU A 121 6.029 11.541 4.765 1.00 13.04 C ATOM 491 OE1 GLU A 121 5.028 11.218 4.089 1.00 13.22 O ATOM 492 OE2 GLU A 121 6.521 12.689 4.751 1.00 13.61 O ATOM 0 H GLU A 121 4.981 9.000 7.863 1.00 11.98 H new ATOM 0 HA GLU A 121 4.382 8.809 5.727 1.00 11.15 H new ATOM 0 HB2 GLU A 121 7.362 8.510 5.202 1.00 11.64 H new ATOM 0 HB3 GLU A 121 6.156 9.115 4.084 1.00 11.64 H new ATOM 0 HG2 GLU A 121 6.285 10.579 6.657 1.00 12.24 H new ATOM 0 HG3 GLU A 121 7.747 10.672 5.695 1.00 12.24 H new ATOM 499 N THR A 122 4.213 6.180 5.859 1.00 9.51 N ATOM 500 CA THR A 122 4.019 4.785 5.474 1.00 8.44 C ATOM 501 C THR A 122 2.536 4.451 5.355 1.00 7.82 C ATOM 502 O THR A 122 1.680 5.326 5.489 1.00 8.35 O ATOM 503 CB THR A 122 4.668 3.829 6.492 1.00 8.64 C ATOM 504 OG1 THR A 122 4.296 4.203 7.823 1.00 9.57 O ATOM 505 CG2 THR A 122 6.185 3.843 6.362 1.00 8.95 C ATOM 0 H THR A 122 3.490 6.553 6.474 1.00 9.51 H new ATOM 0 HA THR A 122 4.498 4.653 4.504 1.00 8.44 H new ATOM 0 HB THR A 122 4.311 2.820 6.285 1.00 8.64 H new ATOM 0 HG1 THR A 122 4.712 3.589 8.464 1.00 9.57 H new ATOM 0 HG21 THR A 122 6.619 3.160 7.092 1.00 8.95 H new ATOM 0 HG22 THR A 122 6.467 3.528 5.357 1.00 8.95 H new ATOM 0 HG23 THR A 122 6.556 4.852 6.544 1.00 8.95 H new ATOM 513 N CYS A 123 2.235 3.178 5.102 1.00 6.82 N ATOM 514 CA CYS A 123 0.855 2.729 4.968 1.00 6.32 C ATOM 515 C CYS A 123 0.765 1.205 4.994 1.00 5.48 C ATOM 516 O CYS A 123 1.781 0.515 5.091 1.00 5.04 O ATOM 517 CB CYS A 123 0.247 3.261 3.668 1.00 5.96 C ATOM 518 SG CYS A 123 0.719 2.326 2.194 1.00 5.05 S ATOM 0 H CYS A 123 2.931 2.441 4.986 1.00 6.82 H new ATOM 0 HA CYS A 123 0.293 3.121 5.816 1.00 6.32 H new ATOM 0 HB2 CYS A 123 -0.839 3.253 3.758 1.00 5.96 H new ATOM 0 HB3 CYS A 123 0.548 4.300 3.538 1.00 5.96 H new ATOM 0 HG CYS A 123 -0.310 2.204 1.410 1.00 5.05 H new ATOM 524 N VAL A 124 -0.457 0.691 4.906 1.00 5.51 N ATOM 525 CA VAL A 124 -0.691 -0.748 4.917 1.00 5.03 C ATOM 526 C VAL A 124 -1.504 -1.178 3.700 1.00 4.47 C ATOM 527 O VAL A 124 -2.459 -0.506 3.312 1.00 4.86 O ATOM 528 CB VAL A 124 -1.434 -1.186 6.196 1.00 5.88 C ATOM 529 CG1 VAL A 124 -1.751 -2.674 6.155 1.00 5.71 C ATOM 530 CG2 VAL A 124 -0.618 -0.844 7.433 1.00 6.50 C ATOM 0 H VAL A 124 -1.304 1.253 4.826 1.00 5.51 H new ATOM 0 HA VAL A 124 0.286 -1.230 4.890 1.00 5.03 H new ATOM 0 HB VAL A 124 -2.376 -0.640 6.246 1.00 5.88 H new ATOM 0 HG11 VAL A 124 -2.275 -2.960 7.067 1.00 5.71 H new ATOM 0 HG12 VAL A 124 -2.382 -2.888 5.292 1.00 5.71 H new ATOM 0 HG13 VAL A 124 -0.824 -3.242 6.076 1.00 5.71 H new ATOM 0 HG21 VAL A 124 -1.159 -1.161 8.325 1.00 6.50 H new ATOM 0 HG22 VAL A 124 0.342 -1.358 7.389 1.00 6.50 H new ATOM 0 HG23 VAL A 124 -0.452 0.232 7.473 1.00 6.50 H new ATOM 540 N VAL A 125 -1.119 -2.301 3.103 1.00 3.79 N ATOM 541 CA VAL A 125 -1.816 -2.818 1.931 1.00 3.55 C ATOM 542 C VAL A 125 -2.206 -4.280 2.122 1.00 4.11 C ATOM 543 O VAL A 125 -1.427 -5.079 2.641 1.00 4.19 O ATOM 544 CB VAL A 125 -0.956 -2.689 0.657 1.00 2.74 C ATOM 545 CG1 VAL A 125 -0.714 -1.225 0.324 1.00 2.53 C ATOM 546 CG2 VAL A 125 0.361 -3.431 0.820 1.00 2.61 C ATOM 0 H VAL A 125 -0.330 -2.869 3.411 1.00 3.79 H new ATOM 0 HA VAL A 125 -2.717 -2.217 1.812 1.00 3.55 H new ATOM 0 HB VAL A 125 -1.499 -3.143 -0.172 1.00 2.74 H new ATOM 0 HG11 VAL A 125 -0.106 -1.153 -0.578 1.00 2.53 H new ATOM 0 HG12 VAL A 125 -1.669 -0.727 0.158 1.00 2.53 H new ATOM 0 HG13 VAL A 125 -0.193 -0.745 1.152 1.00 2.53 H new ATOM 0 HG21 VAL A 125 0.952 -3.327 -0.090 1.00 2.61 H new ATOM 0 HG22 VAL A 125 0.913 -3.012 1.661 1.00 2.61 H new ATOM 0 HG23 VAL A 125 0.163 -4.487 1.006 1.00 2.61 H new ATOM 556 N VAL A 126 -3.419 -4.623 1.700 1.00 4.74 N ATOM 557 CA VAL A 126 -3.915 -5.989 1.821 1.00 5.60 C ATOM 558 C VAL A 126 -3.703 -6.760 0.525 1.00 5.78 C ATOM 559 O VAL A 126 -4.060 -6.288 -0.555 1.00 5.73 O ATOM 560 CB VAL A 126 -5.411 -6.021 2.187 1.00 6.59 C ATOM 561 CG1 VAL A 126 -5.802 -7.393 2.711 1.00 7.53 C ATOM 562 CG2 VAL A 126 -5.737 -4.940 3.207 1.00 6.75 C ATOM 0 H VAL A 126 -4.077 -3.973 1.271 1.00 4.74 H new ATOM 0 HA VAL A 126 -3.348 -6.461 2.624 1.00 5.60 H new ATOM 0 HB VAL A 126 -5.990 -5.822 1.285 1.00 6.59 H new ATOM 0 HG11 VAL A 126 -6.862 -7.397 2.965 1.00 7.53 H new ATOM 0 HG12 VAL A 126 -5.609 -8.144 1.945 1.00 7.53 H new ATOM 0 HG13 VAL A 126 -5.215 -7.624 3.600 1.00 7.53 H new ATOM 0 HG21 VAL A 126 -6.798 -4.979 3.452 1.00 6.75 H new ATOM 0 HG22 VAL A 126 -5.149 -5.103 4.110 1.00 6.75 H new ATOM 0 HG23 VAL A 126 -5.497 -3.962 2.790 1.00 6.75 H new ATOM 572 N TYR A 127 -3.115 -7.948 0.640 1.00 6.19 N ATOM 573 CA TYR A 127 -2.849 -8.787 -0.523 1.00 6.72 C ATOM 574 C TYR A 127 -4.129 -9.444 -1.031 1.00 7.79 C ATOM 575 O TYR A 127 -4.602 -10.429 -0.462 1.00 8.59 O ATOM 576 CB TYR A 127 -1.813 -9.858 -0.173 1.00 7.03 C ATOM 577 CG TYR A 127 -0.384 -9.413 -0.395 1.00 6.28 C ATOM 578 CD1 TYR A 127 0.124 -8.299 0.258 1.00 5.71 C ATOM 579 CD2 TYR A 127 0.455 -10.109 -1.257 1.00 6.38 C ATOM 580 CE1 TYR A 127 1.428 -7.889 0.059 1.00 5.23 C ATOM 581 CE2 TYR A 127 1.760 -9.706 -1.461 1.00 5.99 C ATOM 582 CZ TYR A 127 2.241 -8.596 -0.806 1.00 5.42 C ATOM 583 OH TYR A 127 3.541 -8.193 -0.999 1.00 5.31 O ATOM 0 H TYR A 127 -2.814 -8.351 1.527 1.00 6.19 H new ATOM 0 HA TYR A 127 -2.455 -8.152 -1.316 1.00 6.72 H new ATOM 0 HB2 TYR A 127 -1.938 -10.145 0.871 1.00 7.03 H new ATOM 0 HB3 TYR A 127 -2.005 -10.748 -0.773 1.00 7.03 H new ATOM 0 HD1 TYR A 127 -0.510 -7.744 0.933 1.00 5.71 H new ATOM 0 HD2 TYR A 127 0.080 -10.979 -1.776 1.00 6.38 H new ATOM 0 HE1 TYR A 127 1.810 -7.021 0.576 1.00 5.23 H new ATOM 0 HE2 TYR A 127 2.400 -10.260 -2.132 1.00 5.99 H new ATOM 0 HH TYR A 127 3.874 -7.762 -0.184 1.00 5.31 H new ATOM 593 N THR A 128 -4.684 -8.889 -2.105 1.00 7.86 N ATOM 594 CA THR A 128 -5.909 -9.418 -2.694 1.00 8.91 C ATOM 595 C THR A 128 -5.719 -10.854 -3.166 1.00 9.91 C ATOM 596 O THR A 128 -4.685 -11.200 -3.736 1.00 10.27 O ATOM 597 CB THR A 128 -6.378 -8.557 -3.883 1.00 8.84 C ATOM 598 OG1 THR A 128 -5.852 -7.230 -3.765 1.00 7.77 O ATOM 599 CG2 THR A 128 -7.897 -8.503 -3.943 1.00 9.50 C ATOM 0 H THR A 128 -4.304 -8.073 -2.585 1.00 7.86 H new ATOM 0 HA THR A 128 -6.670 -9.394 -1.914 1.00 8.91 H new ATOM 0 HB THR A 128 -6.009 -9.012 -4.802 1.00 8.84 H new ATOM 0 HG1 THR A 128 -5.573 -6.909 -4.648 1.00 7.77 H new ATOM 0 HG21 THR A 128 -8.206 -7.890 -4.790 1.00 9.50 H new ATOM 0 HG22 THR A 128 -8.293 -9.512 -4.062 1.00 9.50 H new ATOM 0 HG23 THR A 128 -8.282 -8.068 -3.021 1.00 9.50 H new ATOM 607 N GLY A 129 -6.728 -11.687 -2.928 1.00 10.49 N ATOM 608 CA GLY A 129 -6.657 -13.079 -3.337 1.00 11.51 C ATOM 609 C GLY A 129 -5.841 -13.932 -2.385 1.00 11.53 C ATOM 610 O GLY A 129 -5.703 -15.138 -2.589 1.00 12.41 O ATOM 0 H GLY A 129 -7.594 -11.423 -2.459 1.00 10.49 H new ATOM 0 HA2 GLY A 129 -7.666 -13.484 -3.406 1.00 11.51 H new ATOM 0 HA3 GLY A 129 -6.221 -13.138 -4.334 1.00 11.51 H new ATOM 614 N TYR A 130 -5.299 -13.308 -1.342 1.00 10.62 N ATOM 615 CA TYR A 130 -4.494 -14.026 -0.361 1.00 10.62 C ATOM 616 C TYR A 130 -5.172 -14.030 1.007 1.00 10.60 C ATOM 617 O TYR A 130 -6.005 -14.892 1.290 1.00 11.27 O ATOM 618 CB TYR A 130 -3.097 -13.405 -0.261 1.00 9.73 C ATOM 619 CG TYR A 130 -2.172 -13.820 -1.383 1.00 10.03 C ATOM 620 CD1 TYR A 130 -1.409 -14.975 -1.290 1.00 10.64 C ATOM 621 CD2 TYR A 130 -2.065 -13.054 -2.538 1.00 9.83 C ATOM 622 CE1 TYR A 130 -0.563 -15.357 -2.314 1.00 11.09 C ATOM 623 CE2 TYR A 130 -1.221 -13.429 -3.567 1.00 10.27 C ATOM 624 CZ TYR A 130 -0.474 -14.582 -3.450 1.00 10.92 C ATOM 625 OH TYR A 130 0.367 -14.957 -4.473 1.00 11.49 O ATOM 0 H TYR A 130 -5.403 -12.311 -1.156 1.00 10.62 H new ATOM 0 HA TYR A 130 -4.397 -15.059 -0.694 1.00 10.62 H new ATOM 0 HB2 TYR A 130 -3.190 -12.319 -0.260 1.00 9.73 H new ATOM 0 HB3 TYR A 130 -2.649 -13.688 0.692 1.00 9.73 H new ATOM 0 HD1 TYR A 130 -1.477 -15.586 -0.402 1.00 10.64 H new ATOM 0 HD2 TYR A 130 -2.650 -12.151 -2.633 1.00 9.83 H new ATOM 0 HE1 TYR A 130 0.025 -16.258 -2.224 1.00 11.09 H new ATOM 0 HE2 TYR A 130 -1.147 -12.822 -4.457 1.00 10.27 H new ATOM 0 HH TYR A 130 0.310 -14.302 -5.200 1.00 11.49 H new ATOM 635 N GLY A 131 -4.814 -13.068 1.855 1.00 9.97 N ATOM 636 CA GLY A 131 -5.402 -12.991 3.181 1.00 10.07 C ATOM 637 C GLY A 131 -4.412 -12.492 4.218 1.00 9.30 C ATOM 638 O GLY A 131 -4.616 -12.671 5.419 1.00 9.47 O ATOM 0 H GLY A 131 -4.128 -12.342 1.647 1.00 9.97 H new ATOM 0 HA2 GLY A 131 -6.266 -12.326 3.156 1.00 10.07 H new ATOM 0 HA3 GLY A 131 -5.766 -13.976 3.473 1.00 10.07 H new ATOM 642 N ASN A 132 -3.338 -11.866 3.747 1.00 8.58 N ATOM 643 CA ASN A 132 -2.306 -11.338 4.634 1.00 7.89 C ATOM 644 C ASN A 132 -2.162 -9.829 4.463 1.00 6.95 C ATOM 645 O ASN A 132 -2.526 -9.275 3.425 1.00 6.64 O ATOM 646 CB ASN A 132 -0.969 -12.026 4.352 1.00 7.85 C ATOM 647 CG ASN A 132 0.000 -11.913 5.513 1.00 7.69 C ATOM 648 OD1 ASN A 132 -0.385 -11.553 6.626 1.00 7.99 O ATOM 649 ND2 ASN A 132 1.266 -12.221 5.257 1.00 7.49 N ATOM 0 H ASN A 132 -3.159 -11.712 2.755 1.00 8.58 H new ATOM 0 HA ASN A 132 -2.603 -11.540 5.663 1.00 7.89 H new ATOM 0 HB2 ASN A 132 -1.145 -13.079 4.132 1.00 7.85 H new ATOM 0 HB3 ASN A 132 -0.518 -11.586 3.463 1.00 7.85 H new ATOM 0 HD21 ASN A 132 1.965 -12.164 5.998 1.00 7.49 H new ATOM 0 HD22 ASN A 132 1.540 -12.515 4.319 1.00 7.49 H new ATOM 656 N ARG A 133 -1.629 -9.168 5.487 1.00 6.59 N ATOM 657 CA ARG A 133 -1.435 -7.722 5.448 1.00 5.87 C ATOM 658 C ARG A 133 0.043 -7.372 5.601 1.00 5.31 C ATOM 659 O ARG A 133 0.687 -7.768 6.572 1.00 5.65 O ATOM 660 CB ARG A 133 -2.250 -7.049 6.554 1.00 6.37 C ATOM 661 CG ARG A 133 -3.549 -6.430 6.063 1.00 6.55 C ATOM 662 CD ARG A 133 -4.712 -7.401 6.198 1.00 7.46 C ATOM 663 NE ARG A 133 -5.974 -6.714 6.459 1.00 7.96 N ATOM 664 CZ ARG A 133 -7.040 -7.306 6.993 1.00 8.74 C ATOM 665 NH1 ARG A 133 -6.998 -8.591 7.322 1.00 9.12 N ATOM 666 NH2 ARG A 133 -8.151 -6.612 7.198 1.00 9.35 N ATOM 0 H ARG A 133 -1.324 -9.611 6.354 1.00 6.59 H new ATOM 0 HA ARG A 133 -1.779 -7.356 4.481 1.00 5.87 H new ATOM 0 HB2 ARG A 133 -2.477 -7.785 7.325 1.00 6.37 H new ATOM 0 HB3 ARG A 133 -1.642 -6.274 7.021 1.00 6.37 H new ATOM 0 HG2 ARG A 133 -3.761 -5.525 6.632 1.00 6.55 H new ATOM 0 HG3 ARG A 133 -3.441 -6.132 5.020 1.00 6.55 H new ATOM 0 HD2 ARG A 133 -4.802 -7.988 5.284 1.00 7.46 H new ATOM 0 HD3 ARG A 133 -4.507 -8.101 7.008 1.00 7.46 H new ATOM 0 HE ARG A 133 -6.042 -5.725 6.219 1.00 7.96 H new ATOM 0 HH11 ARG A 133 -6.146 -9.130 7.166 1.00 9.12 H new ATOM 0 HH12 ARG A 133 -7.818 -9.040 7.731 1.00 9.12 H new ATOM 0 HH21 ARG A 133 -8.189 -5.624 6.946 1.00 9.35 H new ATOM 0 HH22 ARG A 133 -8.968 -7.066 7.607 1.00 9.35 H new ATOM 680 N GLU A 134 0.573 -6.629 4.634 1.00 4.60 N ATOM 681 CA GLU A 134 1.977 -6.230 4.662 1.00 4.37 C ATOM 682 C GLU A 134 2.116 -4.713 4.584 1.00 4.10 C ATOM 683 O GLU A 134 1.565 -4.074 3.686 1.00 3.69 O ATOM 684 CB GLU A 134 2.734 -6.882 3.503 1.00 4.32 C ATOM 685 CG GLU A 134 3.713 -7.958 3.943 1.00 4.69 C ATOM 686 CD GLU A 134 3.030 -9.121 4.639 1.00 5.28 C ATOM 687 OE1 GLU A 134 2.456 -9.979 3.935 1.00 5.49 O ATOM 688 OE2 GLU A 134 3.071 -9.173 5.885 1.00 5.81 O ATOM 0 H GLU A 134 0.054 -6.292 3.823 1.00 4.60 H new ATOM 0 HA GLU A 134 2.406 -6.567 5.606 1.00 4.37 H new ATOM 0 HB2 GLU A 134 2.015 -7.319 2.810 1.00 4.32 H new ATOM 0 HB3 GLU A 134 3.276 -6.111 2.955 1.00 4.32 H new ATOM 0 HG2 GLU A 134 4.255 -8.328 3.073 1.00 4.69 H new ATOM 0 HG3 GLU A 134 4.450 -7.520 4.615 1.00 4.69 H new ATOM 695 N GLU A 135 2.860 -4.141 5.526 1.00 4.58 N ATOM 696 CA GLU A 135 3.075 -2.699 5.564 1.00 4.87 C ATOM 697 C GLU A 135 4.141 -2.285 4.552 1.00 4.79 C ATOM 698 O GLU A 135 5.218 -2.879 4.493 1.00 5.09 O ATOM 699 CB GLU A 135 3.492 -2.264 6.970 1.00 5.81 C ATOM 700 CG GLU A 135 3.823 -0.785 7.081 1.00 6.48 C ATOM 701 CD GLU A 135 3.587 -0.237 8.475 1.00 7.38 C ATOM 702 OE1 GLU A 135 2.612 -0.668 9.125 1.00 7.86 O ATOM 703 OE2 GLU A 135 4.378 0.622 8.915 1.00 7.78 O ATOM 0 H GLU A 135 3.325 -4.655 6.274 1.00 4.58 H new ATOM 0 HA GLU A 135 2.139 -2.206 5.302 1.00 4.87 H new ATOM 0 HB2 GLU A 135 2.688 -2.500 7.667 1.00 5.81 H new ATOM 0 HB3 GLU A 135 4.361 -2.845 7.277 1.00 5.81 H new ATOM 0 HG2 GLU A 135 4.866 -0.628 6.805 1.00 6.48 H new ATOM 0 HG3 GLU A 135 3.217 -0.226 6.368 1.00 6.48 H new ATOM 710 N GLN A 136 3.832 -1.264 3.760 1.00 4.64 N ATOM 711 CA GLN A 136 4.764 -0.771 2.751 1.00 4.84 C ATOM 712 C GLN A 136 4.899 0.747 2.828 1.00 5.56 C ATOM 713 O GLN A 136 4.178 1.408 3.577 1.00 5.86 O ATOM 714 CB GLN A 136 4.299 -1.185 1.353 1.00 4.04 C ATOM 715 CG GLN A 136 5.427 -1.662 0.455 1.00 4.34 C ATOM 716 CD GLN A 136 5.743 -3.133 0.646 1.00 4.37 C ATOM 717 OE1 GLN A 136 4.843 -3.971 0.691 1.00 4.53 O ATOM 718 NE2 GLN A 136 7.026 -3.454 0.757 1.00 4.63 N ATOM 0 H GLN A 136 2.945 -0.762 3.797 1.00 4.64 H new ATOM 0 HA GLN A 136 5.741 -1.213 2.947 1.00 4.84 H new ATOM 0 HB2 GLN A 136 3.559 -1.979 1.446 1.00 4.04 H new ATOM 0 HB3 GLN A 136 3.801 -0.339 0.879 1.00 4.04 H new ATOM 0 HG2 GLN A 136 5.157 -1.484 -0.586 1.00 4.34 H new ATOM 0 HG3 GLN A 136 6.321 -1.073 0.658 1.00 4.34 H new ATOM 0 HE21 GLN A 136 7.739 -2.726 0.714 1.00 4.63 H new ATOM 0 HE22 GLN A 136 7.299 -4.428 0.885 1.00 4.63 H new ATOM 727 N ASN A 137 5.826 1.293 2.046 1.00 6.06 N ATOM 728 CA ASN A 137 6.056 2.733 2.022 1.00 6.90 C ATOM 729 C ASN A 137 5.312 3.383 0.860 1.00 6.54 C ATOM 730 O ASN A 137 5.213 2.808 -0.223 1.00 5.95 O ATOM 731 CB ASN A 137 7.553 3.032 1.916 1.00 7.87 C ATOM 732 CG ASN A 137 8.358 2.343 3.000 1.00 8.40 C ATOM 733 OD1 ASN A 137 8.729 1.177 2.868 1.00 8.92 O ATOM 734 ND2 ASN A 137 8.634 3.064 4.080 1.00 8.47 N ATOM 0 H ASN A 137 6.430 0.759 1.421 1.00 6.06 H new ATOM 0 HA ASN A 137 5.675 3.151 2.954 1.00 6.90 H new ATOM 0 HB2 ASN A 137 7.916 2.713 0.939 1.00 7.87 H new ATOM 0 HB3 ASN A 137 7.711 4.109 1.979 1.00 7.87 H new ATOM 0 HD21 ASN A 137 9.174 2.654 4.842 1.00 8.47 H new ATOM 0 HD22 ASN A 137 8.306 4.028 4.147 1.00 8.47 H new ATOM 741 N LEU A 138 4.787 4.582 1.095 1.00 7.04 N ATOM 742 CA LEU A 138 4.046 5.312 0.070 1.00 6.90 C ATOM 743 C LEU A 138 4.880 5.483 -1.196 1.00 7.16 C ATOM 744 O LEU A 138 4.388 5.277 -2.306 1.00 6.67 O ATOM 745 CB LEU A 138 3.619 6.682 0.600 1.00 7.77 C ATOM 746 CG LEU A 138 2.910 6.661 1.955 1.00 7.75 C ATOM 747 CD1 LEU A 138 3.028 8.013 2.639 1.00 8.95 C ATOM 748 CD2 LEU A 138 1.448 6.274 1.785 1.00 7.32 C ATOM 0 H LEU A 138 4.861 5.070 1.988 1.00 7.04 H new ATOM 0 HA LEU A 138 3.159 4.731 -0.180 1.00 6.90 H new ATOM 0 HB2 LEU A 138 4.503 7.315 0.680 1.00 7.77 H new ATOM 0 HB3 LEU A 138 2.958 7.147 -0.131 1.00 7.77 H new ATOM 0 HG LEU A 138 3.393 5.914 2.585 1.00 7.75 H new ATOM 0 HD11 LEU A 138 2.518 7.980 3.602 1.00 8.95 H new ATOM 0 HD12 LEU A 138 4.080 8.252 2.794 1.00 8.95 H new ATOM 0 HD13 LEU A 138 2.571 8.779 2.013 1.00 8.95 H new ATOM 0 HD21 LEU A 138 0.959 6.264 2.759 1.00 7.32 H new ATOM 0 HD22 LEU A 138 0.953 6.998 1.138 1.00 7.32 H new ATOM 0 HD23 LEU A 138 1.384 5.283 1.337 1.00 7.32 H new ATOM 760 N SER A 139 6.142 5.865 -1.023 1.00 8.07 N ATOM 761 CA SER A 139 7.043 6.070 -2.152 1.00 8.59 C ATOM 762 C SER A 139 7.359 4.752 -2.854 1.00 8.04 C ATOM 763 O SER A 139 7.862 4.742 -3.976 1.00 8.40 O ATOM 764 CB SER A 139 8.340 6.732 -1.681 1.00 9.76 C ATOM 765 OG SER A 139 8.252 7.115 -0.320 1.00 10.26 O ATOM 0 H SER A 139 6.564 6.039 -0.111 1.00 8.07 H new ATOM 0 HA SER A 139 6.542 6.725 -2.865 1.00 8.59 H new ATOM 0 HB2 SER A 139 9.173 6.042 -1.815 1.00 9.76 H new ATOM 0 HB3 SER A 139 8.549 7.608 -2.296 1.00 9.76 H new ATOM 0 HG SER A 139 9.094 7.534 -0.043 1.00 10.26 H new ATOM 771 N ASP A 140 7.064 3.643 -2.184 1.00 7.28 N ATOM 772 CA ASP A 140 7.323 2.321 -2.746 1.00 6.90 C ATOM 773 C ASP A 140 6.042 1.696 -3.292 1.00 5.82 C ATOM 774 O ASP A 140 6.013 0.512 -3.631 1.00 5.53 O ATOM 775 CB ASP A 140 7.943 1.407 -1.688 1.00 6.97 C ATOM 776 CG ASP A 140 9.457 1.386 -1.762 1.00 7.80 C ATOM 777 OD1 ASP A 140 10.067 2.476 -1.763 1.00 8.12 O ATOM 778 OD2 ASP A 140 10.034 0.280 -1.821 1.00 8.30 O ATOM 0 H ASP A 140 6.646 3.632 -1.253 1.00 7.28 H new ATOM 0 HA ASP A 140 8.025 2.437 -3.572 1.00 6.90 H new ATOM 0 HB2 ASP A 140 7.634 1.740 -0.697 1.00 6.97 H new ATOM 0 HB3 ASP A 140 7.561 0.394 -1.817 1.00 6.97 H new ATOM 783 N LEU A 141 4.984 2.498 -3.374 1.00 5.41 N ATOM 784 CA LEU A 141 3.701 2.021 -3.881 1.00 4.46 C ATOM 785 C LEU A 141 3.651 2.107 -5.403 1.00 4.72 C ATOM 786 O LEU A 141 4.191 3.038 -6.000 1.00 5.47 O ATOM 787 CB LEU A 141 2.555 2.836 -3.275 1.00 4.23 C ATOM 788 CG LEU A 141 2.090 2.377 -1.891 1.00 3.96 C ATOM 789 CD1 LEU A 141 1.089 3.362 -1.311 1.00 4.31 C ATOM 790 CD2 LEU A 141 1.484 0.983 -1.965 1.00 3.01 C ATOM 0 H LEU A 141 4.990 3.479 -3.096 1.00 5.41 H new ATOM 0 HA LEU A 141 3.589 0.976 -3.590 1.00 4.46 H new ATOM 0 HB2 LEU A 141 2.867 3.878 -3.209 1.00 4.23 H new ATOM 0 HB3 LEU A 141 1.705 2.800 -3.957 1.00 4.23 H new ATOM 0 HG LEU A 141 2.958 2.340 -1.233 1.00 3.96 H new ATOM 0 HD11 LEU A 141 0.770 3.019 -0.327 1.00 4.31 H new ATOM 0 HD12 LEU A 141 1.555 4.343 -1.220 1.00 4.31 H new ATOM 0 HD13 LEU A 141 0.223 3.431 -1.970 1.00 4.31 H new ATOM 0 HD21 LEU A 141 1.159 0.674 -0.971 1.00 3.01 H new ATOM 0 HD22 LEU A 141 0.628 0.994 -2.639 1.00 3.01 H new ATOM 0 HD23 LEU A 141 2.230 0.281 -2.337 1.00 3.01 H new ATOM 802 N LEU A 142 2.997 1.129 -6.026 1.00 4.30 N ATOM 803 CA LEU A 142 2.877 1.092 -7.479 1.00 4.79 C ATOM 804 C LEU A 142 1.419 1.208 -7.910 1.00 4.37 C ATOM 805 O LEU A 142 0.506 1.050 -7.099 1.00 3.72 O ATOM 806 CB LEU A 142 3.478 -0.201 -8.032 1.00 5.32 C ATOM 807 CG LEU A 142 4.949 -0.435 -7.685 1.00 5.88 C ATOM 808 CD1 LEU A 142 5.327 -1.890 -7.917 1.00 6.01 C ATOM 809 CD2 LEU A 142 5.842 0.486 -8.505 1.00 6.92 C ATOM 0 H LEU A 142 2.543 0.352 -5.546 1.00 4.30 H new ATOM 0 HA LEU A 142 3.427 1.943 -7.882 1.00 4.79 H new ATOM 0 HB2 LEU A 142 2.895 -1.043 -7.659 1.00 5.32 H new ATOM 0 HB3 LEU A 142 3.373 -0.197 -9.117 1.00 5.32 H new ATOM 0 HG LEU A 142 5.095 -0.207 -6.629 1.00 5.88 H new ATOM 0 HD11 LEU A 142 6.377 -2.038 -7.665 1.00 6.01 H new ATOM 0 HD12 LEU A 142 4.709 -2.531 -7.288 1.00 6.01 H new ATOM 0 HD13 LEU A 142 5.166 -2.145 -8.964 1.00 6.01 H new ATOM 0 HD21 LEU A 142 6.885 0.307 -8.246 1.00 6.92 H new ATOM 0 HD22 LEU A 142 5.692 0.288 -9.566 1.00 6.92 H new ATOM 0 HD23 LEU A 142 5.588 1.524 -8.291 1.00 6.92 H new ATOM 821 N SER A 143 1.209 1.482 -9.195 1.00 4.93 N ATOM 822 CA SER A 143 -0.136 1.616 -9.740 1.00 4.89 C ATOM 823 C SER A 143 -0.684 0.254 -10.166 1.00 5.19 C ATOM 824 O SER A 143 0.083 -0.658 -10.477 1.00 5.64 O ATOM 825 CB SER A 143 -0.128 2.574 -10.933 1.00 5.50 C ATOM 826 OG SER A 143 1.074 2.456 -11.674 1.00 6.07 O ATOM 0 H SER A 143 1.955 1.615 -9.878 1.00 4.93 H new ATOM 0 HA SER A 143 -0.783 2.021 -8.962 1.00 4.89 H new ATOM 0 HB2 SER A 143 -0.980 2.362 -11.579 1.00 5.50 H new ATOM 0 HB3 SER A 143 -0.243 3.599 -10.581 1.00 5.50 H new ATOM 0 HG SER A 143 1.054 3.077 -12.432 1.00 6.07 H new ATOM 832 N PRO A 144 -2.020 0.094 -10.186 1.00 5.25 N ATOM 833 CA PRO A 144 -2.656 -1.171 -10.578 1.00 5.91 C ATOM 834 C PRO A 144 -2.356 -1.546 -12.026 1.00 6.73 C ATOM 835 O PRO A 144 -2.200 -2.722 -12.354 1.00 7.04 O ATOM 836 CB PRO A 144 -4.151 -0.900 -10.396 1.00 6.05 C ATOM 837 CG PRO A 144 -4.282 0.584 -10.435 1.00 5.71 C ATOM 838 CD PRO A 144 -3.016 1.122 -9.833 1.00 5.04 C ATOM 0 HA PRO A 144 -2.289 -2.008 -9.983 1.00 5.91 H new ATOM 0 HB2 PRO A 144 -4.736 -1.369 -11.187 1.00 6.05 H new ATOM 0 HB3 PRO A 144 -4.513 -1.303 -9.450 1.00 6.05 H new ATOM 0 HG2 PRO A 144 -4.410 0.939 -11.458 1.00 5.71 H new ATOM 0 HG3 PRO A 144 -5.154 0.915 -9.871 1.00 5.71 H new ATOM 0 HD2 PRO A 144 -2.755 2.096 -10.246 1.00 5.04 H new ATOM 0 HD3 PRO A 144 -3.103 1.246 -8.754 1.00 5.04 H new