USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 802 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 THR OG1 : rot -62:sc= 0.694 USER MOD Set 1.2: A 47 THR OG1 : rot 179:sc= 1.17 USER MOD Set 2.1: A 9 SER OG : rot 80:sc= -0.535 USER MOD Set 2.2: A 51 LYS NZ :NH3+ -106:sc= 0.69 (180deg=0.385) USER MOD Set 2.3: A 53 GLN : amide:sc= 0.469 X(o=0.62,f=0.74) USER MOD Single : A 1 GLY N :NH3+ -106:sc= 0.0231 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= 0.0955 K(o=0.096,f=-2.1!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 99:sc= -5.31! USER MOD Single : A 17 LYS NZ :NH3+ -145:sc= 0.559 (180deg=0.0791) USER MOD Single : A 19 GLN : amide:sc= -0.0152 K(o=-0.015,f=-0.59) USER MOD Single : A 25 LYS NZ :NH3+ 132:sc= 0.073 (180deg=-0.73) USER MOD Single : A 26 HIS : no HD1:sc= 1.1 K(o=1.1,f=-4.2!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -1.09 K(o=-1.1,f=-2.9) USER MOD Single : A 32 LYS NZ :NH3+ -112:sc= -0.631 (180deg=-2.23!) USER MOD Single : A 33 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0299) USER MOD Single : A 41 GLN : amide:sc= -0.0394 K(o=-0.039,f=-0.72) USER MOD Single : A 42 ASN : amide:sc= 0.39 K(o=0.39,f=-3.6!) USER MOD Single : A 49 GLN : amide:sc= -0.111 K(o=-0.11,f=-1.9!) USER MOD Single : A 57 SER OG : rot 140:sc= 0.832 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl -134:sc= -3.41 (180deg=-8.94!) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -144:sc= 1.89 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.483 X(o=-0.48,f=-0.42) USER MOD Single : A 82 LYS NZ :NH3+ 148:sc= -0.383 (180deg=-1.55!) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.0159 X(o=-0.016,f=-0.32) USER MOD Single : A 99 LYS NZ :NH3+ -148:sc= -0.0452 (180deg=-1.06) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.960 4.569 -4.963 1.00 72.23 N ATOM 2 CA GLY A 1 6.650 3.152 -4.904 1.00 2.34 C ATOM 3 C GLY A 1 6.007 2.645 -6.179 1.00 41.01 C ATOM 4 O GLY A 1 5.281 3.378 -6.850 1.00 35.34 O ATOM 0 H1 GLY A 1 7.986 4.695 -5.076 1.00 72.23 H new ATOM 0 H2 GLY A 1 6.467 4.999 -5.772 1.00 72.23 H new ATOM 0 H3 GLY A 1 6.649 5.029 -4.084 1.00 72.23 H new ATOM 0 HA2 GLY A 1 7.565 2.591 -4.714 1.00 2.34 H new ATOM 0 HA3 GLY A 1 5.981 2.964 -4.064 1.00 2.34 H new ATOM 8 N ALA A 2 6.276 1.388 -6.516 1.00 61.11 N ATOM 9 CA ALA A 2 5.718 0.784 -7.719 1.00 61.45 C ATOM 10 C ALA A 2 5.017 -0.532 -7.399 1.00 12.13 C ATOM 11 O ALA A 2 4.941 -0.938 -6.240 1.00 24.43 O ATOM 12 CB ALA A 2 6.811 0.562 -8.754 1.00 42.55 C ATOM 0 H ALA A 2 6.877 0.768 -5.973 1.00 61.11 H new ATOM 0 HA ALA A 2 4.977 1.470 -8.129 1.00 61.45 H new ATOM 0 HB1 ALA A 2 6.380 0.110 -9.647 1.00 42.55 H new ATOM 0 HB2 ALA A 2 7.265 1.518 -9.014 1.00 42.55 H new ATOM 0 HB3 ALA A 2 7.572 -0.102 -8.343 1.00 42.55 H new ATOM 18 N GLU A 3 4.505 -1.192 -8.433 1.00 14.22 N ATOM 19 CA GLU A 3 3.808 -2.461 -8.259 1.00 51.10 C ATOM 20 C GLU A 3 3.955 -3.337 -9.500 1.00 54.41 C ATOM 21 O GLU A 3 4.491 -2.903 -10.519 1.00 74.21 O ATOM 22 CB GLU A 3 2.326 -2.219 -7.965 1.00 1.53 C ATOM 23 CG GLU A 3 1.615 -1.418 -9.042 1.00 55.14 C ATOM 24 CD GLU A 3 0.375 -0.715 -8.524 1.00 51.11 C ATOM 25 OE1 GLU A 3 0.471 -0.032 -7.483 1.00 51.14 O ATOM 26 OE2 GLU A 3 -0.692 -0.848 -9.160 1.00 65.24 O ATOM 0 H GLU A 3 4.560 -0.869 -9.399 1.00 14.22 H new ATOM 0 HA GLU A 3 4.258 -2.980 -7.413 1.00 51.10 H new ATOM 0 HB2 GLU A 3 1.826 -3.180 -7.849 1.00 1.53 H new ATOM 0 HB3 GLU A 3 2.234 -1.695 -7.014 1.00 1.53 H new ATOM 0 HG2 GLU A 3 2.302 -0.678 -9.453 1.00 55.14 H new ATOM 0 HG3 GLU A 3 1.336 -2.083 -9.860 1.00 55.14 H new ATOM 33 N GLY A 4 3.474 -4.573 -9.405 1.00 41.24 N ATOM 34 CA GLY A 4 3.562 -5.491 -10.526 1.00 53.41 C ATOM 35 C GLY A 4 4.847 -6.293 -10.519 1.00 24.51 C ATOM 36 O GLY A 4 5.867 -5.850 -11.046 1.00 12.25 O ATOM 0 H GLY A 4 3.025 -4.955 -8.572 1.00 41.24 H new ATOM 0 HA2 GLY A 4 2.712 -6.173 -10.501 1.00 53.41 H new ATOM 0 HA3 GLY A 4 3.493 -4.929 -11.458 1.00 53.41 H new ATOM 40 N ASN A 5 4.800 -7.478 -9.919 1.00 20.43 N ATOM 41 CA ASN A 5 5.971 -8.344 -9.843 1.00 22.21 C ATOM 42 C ASN A 5 5.912 -9.434 -10.909 1.00 32.11 C ATOM 43 O ASN A 5 5.956 -10.625 -10.599 1.00 35.11 O ATOM 44 CB ASN A 5 6.073 -8.978 -8.454 1.00 64.43 C ATOM 45 CG ASN A 5 4.804 -9.706 -8.056 1.00 71.22 C ATOM 46 OD1 ASN A 5 3.765 -9.086 -7.830 1.00 33.31 O ATOM 47 ND2 ASN A 5 4.883 -11.029 -7.969 1.00 2.13 N ATOM 0 H ASN A 5 3.963 -7.861 -9.478 1.00 20.43 H new ATOM 0 HA ASN A 5 6.856 -7.733 -10.022 1.00 22.21 H new ATOM 0 HB2 ASN A 5 6.910 -9.676 -8.437 1.00 64.43 H new ATOM 0 HB3 ASN A 5 6.290 -8.203 -7.719 1.00 64.43 H new ATOM 0 HD21 ASN A 5 4.061 -11.573 -7.706 1.00 2.13 H new ATOM 0 HD22 ASN A 5 5.766 -11.501 -8.165 1.00 2.13 H new ATOM 54 N THR A 6 5.812 -9.018 -12.168 1.00 24.32 N ATOM 55 CA THR A 6 5.747 -9.958 -13.280 1.00 55.20 C ATOM 56 C THR A 6 7.074 -10.020 -14.026 1.00 63.33 C ATOM 57 O THR A 6 7.290 -9.288 -14.993 1.00 71.32 O ATOM 58 CB THR A 6 4.631 -9.577 -14.272 1.00 32.25 C ATOM 59 OG1 THR A 6 3.538 -8.974 -13.571 1.00 14.42 O ATOM 60 CG2 THR A 6 4.140 -10.801 -15.030 1.00 32.45 C ATOM 0 H THR A 6 5.774 -8.036 -12.443 1.00 24.32 H new ATOM 0 HA THR A 6 5.527 -10.937 -12.854 1.00 55.20 H new ATOM 0 HB THR A 6 5.040 -8.865 -14.989 1.00 32.25 H new ATOM 0 HG1 THR A 6 2.834 -8.733 -14.208 1.00 14.42 H new ATOM 0 HG21 THR A 6 3.353 -10.507 -15.724 1.00 32.45 H new ATOM 0 HG22 THR A 6 4.968 -11.241 -15.586 1.00 32.45 H new ATOM 0 HG23 THR A 6 3.747 -11.533 -14.324 1.00 32.45 H new ATOM 68 N LEU A 7 7.962 -10.899 -13.573 1.00 15.22 N ATOM 69 CA LEU A 7 9.270 -11.058 -14.199 1.00 13.33 C ATOM 70 C LEU A 7 9.158 -11.840 -15.503 1.00 73.51 C ATOM 71 O LEU A 7 8.642 -12.958 -15.525 1.00 73.40 O ATOM 72 CB LEU A 7 10.230 -11.769 -13.245 1.00 25.25 C ATOM 73 CG LEU A 7 10.458 -11.092 -11.893 1.00 4.32 C ATOM 74 CD1 LEU A 7 11.090 -12.064 -10.908 1.00 41.43 C ATOM 75 CD2 LEU A 7 11.329 -9.854 -12.057 1.00 31.35 C ATOM 0 H LEU A 7 7.800 -11.512 -12.774 1.00 15.22 H new ATOM 0 HA LEU A 7 9.661 -10.066 -14.425 1.00 13.33 H new ATOM 0 HB2 LEU A 7 9.853 -12.776 -13.065 1.00 25.25 H new ATOM 0 HB3 LEU A 7 11.194 -11.874 -13.743 1.00 25.25 H new ATOM 0 HG LEU A 7 9.491 -10.782 -11.496 1.00 4.32 H new ATOM 0 HD11 LEU A 7 11.245 -11.564 -9.952 1.00 41.43 H new ATOM 0 HD12 LEU A 7 10.430 -12.920 -10.767 1.00 41.43 H new ATOM 0 HD13 LEU A 7 12.049 -12.405 -11.298 1.00 41.43 H new ATOM 0 HD21 LEU A 7 11.481 -9.385 -11.085 1.00 31.35 H new ATOM 0 HD22 LEU A 7 12.293 -10.141 -12.476 1.00 31.35 H new ATOM 0 HD23 LEU A 7 10.837 -9.149 -12.727 1.00 31.35 H new ATOM 87 N ILE A 8 9.646 -11.247 -16.587 1.00 11.00 N ATOM 88 CA ILE A 8 9.603 -11.890 -17.894 1.00 65.32 C ATOM 89 C ILE A 8 10.929 -11.726 -18.631 1.00 35.31 C ATOM 90 O ILE A 8 11.882 -11.159 -18.097 1.00 34.55 O ATOM 91 CB ILE A 8 8.470 -11.319 -18.766 1.00 50.03 C ATOM 92 CG1 ILE A 8 8.644 -9.809 -18.942 1.00 12.01 C ATOM 93 CG2 ILE A 8 7.116 -11.633 -18.148 1.00 20.41 C ATOM 94 CD1 ILE A 8 8.044 -9.277 -20.224 1.00 54.24 C ATOM 0 H ILE A 8 10.076 -10.322 -16.586 1.00 11.00 H new ATOM 0 HA ILE A 8 9.416 -12.949 -17.718 1.00 65.32 H new ATOM 0 HB ILE A 8 8.516 -11.788 -19.749 1.00 50.03 H new ATOM 0 HG12 ILE A 8 8.185 -9.298 -18.096 1.00 12.01 H new ATOM 0 HG13 ILE A 8 9.707 -9.569 -18.921 1.00 12.01 H new ATOM 0 HG21 ILE A 8 6.325 -11.223 -18.776 1.00 20.41 H new ATOM 0 HG22 ILE A 8 6.993 -12.713 -18.070 1.00 20.41 H new ATOM 0 HG23 ILE A 8 7.058 -11.188 -17.155 1.00 20.41 H new ATOM 0 HD11 ILE A 8 8.205 -8.200 -20.282 1.00 54.24 H new ATOM 0 HD12 ILE A 8 8.520 -9.761 -21.077 1.00 54.24 H new ATOM 0 HD13 ILE A 8 6.974 -9.485 -20.239 1.00 54.24 H new ATOM 106 N SER A 9 10.981 -12.225 -19.862 1.00 14.11 N ATOM 107 CA SER A 9 12.190 -12.136 -20.672 1.00 54.44 C ATOM 108 C SER A 9 11.847 -12.112 -22.159 1.00 33.22 C ATOM 109 O SER A 9 11.408 -13.115 -22.723 1.00 24.15 O ATOM 110 CB SER A 9 13.120 -13.312 -20.370 1.00 75.23 C ATOM 111 OG SER A 9 13.124 -13.617 -18.986 1.00 52.43 O ATOM 0 H SER A 9 10.200 -12.695 -20.320 1.00 14.11 H new ATOM 0 HA SER A 9 12.699 -11.206 -20.419 1.00 54.44 H new ATOM 0 HB2 SER A 9 12.801 -14.187 -20.937 1.00 75.23 H new ATOM 0 HB3 SER A 9 14.132 -13.072 -20.696 1.00 75.23 H new ATOM 0 HG SER A 9 12.329 -14.146 -18.765 1.00 52.43 H new ATOM 117 N VAL A 10 12.050 -10.959 -22.788 1.00 75.25 N ATOM 118 CA VAL A 10 11.763 -10.804 -24.210 1.00 4.43 C ATOM 119 C VAL A 10 12.953 -10.200 -24.947 1.00 25.01 C ATOM 120 O VAL A 10 13.526 -9.202 -24.510 1.00 3.32 O ATOM 121 CB VAL A 10 10.527 -9.915 -24.439 1.00 53.32 C ATOM 122 CG1 VAL A 10 10.771 -8.512 -23.904 1.00 53.25 C ATOM 123 CG2 VAL A 10 10.166 -9.876 -25.916 1.00 52.14 C ATOM 0 H VAL A 10 12.412 -10.119 -22.336 1.00 75.25 H new ATOM 0 HA VAL A 10 11.562 -11.801 -24.604 1.00 4.43 H new ATOM 0 HB VAL A 10 9.686 -10.344 -23.894 1.00 53.32 H new ATOM 0 HG11 VAL A 10 9.886 -7.898 -24.075 1.00 53.25 H new ATOM 0 HG12 VAL A 10 10.977 -8.561 -22.835 1.00 53.25 H new ATOM 0 HG13 VAL A 10 11.624 -8.070 -24.418 1.00 53.25 H new ATOM 0 HG21 VAL A 10 9.290 -9.243 -26.060 1.00 52.14 H new ATOM 0 HG22 VAL A 10 11.003 -9.472 -26.485 1.00 52.14 H new ATOM 0 HG23 VAL A 10 9.945 -10.885 -26.263 1.00 52.14 H new ATOM 133 N ASP A 11 13.320 -10.812 -26.068 1.00 2.24 N ATOM 134 CA ASP A 11 14.442 -10.334 -26.868 1.00 12.02 C ATOM 135 C ASP A 11 13.992 -9.992 -28.285 1.00 31.32 C ATOM 136 O ASP A 11 13.169 -10.695 -28.872 1.00 13.20 O ATOM 137 CB ASP A 11 15.550 -11.387 -26.911 1.00 61.13 C ATOM 138 CG ASP A 11 15.004 -12.801 -26.943 1.00 62.11 C ATOM 139 OD1 ASP A 11 14.741 -13.360 -25.858 1.00 1.42 O ATOM 140 OD2 ASP A 11 14.841 -13.350 -28.053 1.00 51.33 O ATOM 0 H ASP A 11 12.857 -11.640 -26.443 1.00 2.24 H new ATOM 0 HA ASP A 11 14.830 -9.429 -26.401 1.00 12.02 H new ATOM 0 HB2 ASP A 11 16.171 -11.221 -27.791 1.00 61.13 H new ATOM 0 HB3 ASP A 11 16.194 -11.269 -26.039 1.00 61.13 H new ATOM 145 N TYR A 12 14.536 -8.909 -28.828 1.00 23.13 N ATOM 146 CA TYR A 12 14.188 -8.472 -30.174 1.00 44.05 C ATOM 147 C TYR A 12 15.387 -7.830 -30.865 1.00 43.45 C ATOM 148 O TYR A 12 16.429 -7.610 -30.248 1.00 15.23 O ATOM 149 CB TYR A 12 13.023 -7.483 -30.127 1.00 53.20 C ATOM 150 CG TYR A 12 13.176 -6.417 -29.065 1.00 74.14 C ATOM 151 CD1 TYR A 12 14.221 -5.503 -29.116 1.00 31.22 C ATOM 152 CD2 TYR A 12 12.274 -6.324 -28.012 1.00 51.43 C ATOM 153 CE1 TYR A 12 14.365 -4.529 -28.148 1.00 12.45 C ATOM 154 CE2 TYR A 12 12.409 -5.351 -27.040 1.00 61.24 C ATOM 155 CZ TYR A 12 13.456 -4.456 -27.112 1.00 64.41 C ATOM 156 OH TYR A 12 13.595 -3.486 -26.146 1.00 64.04 O ATOM 0 H TYR A 12 15.220 -8.317 -28.356 1.00 23.13 H new ATOM 0 HA TYR A 12 13.888 -9.349 -30.747 1.00 44.05 H new ATOM 0 HB2 TYR A 12 12.926 -7.003 -31.101 1.00 53.20 H new ATOM 0 HB3 TYR A 12 12.098 -8.032 -29.948 1.00 53.20 H new ATOM 0 HD1 TYR A 12 14.933 -5.555 -29.927 1.00 31.22 H new ATOM 0 HD2 TYR A 12 11.454 -7.024 -27.952 1.00 51.43 H new ATOM 0 HE1 TYR A 12 15.185 -3.828 -28.201 1.00 12.45 H new ATOM 0 HE2 TYR A 12 11.699 -5.292 -26.229 1.00 61.24 H new ATOM 0 HH TYR A 12 12.993 -2.738 -26.344 1.00 64.04 H new ATOM 166 N GLU A 13 15.231 -7.531 -32.151 1.00 51.24 N ATOM 167 CA GLU A 13 16.300 -6.914 -32.927 1.00 43.31 C ATOM 168 C GLU A 13 15.847 -5.580 -33.515 1.00 34.44 C ATOM 169 O GLU A 13 15.370 -5.520 -34.648 1.00 41.14 O ATOM 170 CB GLU A 13 16.752 -7.850 -34.049 1.00 64.53 C ATOM 171 CG GLU A 13 15.604 -8.427 -34.860 1.00 63.42 C ATOM 172 CD GLU A 13 15.978 -8.671 -36.309 1.00 62.24 C ATOM 173 OE1 GLU A 13 17.176 -8.551 -36.640 1.00 65.34 O ATOM 174 OE2 GLU A 13 15.073 -8.981 -37.112 1.00 65.41 O ATOM 0 H GLU A 13 14.375 -7.706 -32.677 1.00 51.24 H new ATOM 0 HA GLU A 13 17.139 -6.730 -32.257 1.00 43.31 H new ATOM 0 HB2 GLU A 13 17.420 -7.307 -34.717 1.00 64.53 H new ATOM 0 HB3 GLU A 13 17.328 -8.668 -33.618 1.00 64.53 H new ATOM 0 HG2 GLU A 13 15.281 -9.365 -34.409 1.00 63.42 H new ATOM 0 HG3 GLU A 13 14.755 -7.744 -34.818 1.00 63.42 H new ATOM 181 N ILE A 14 15.998 -4.515 -32.735 1.00 32.11 N ATOM 182 CA ILE A 14 15.604 -3.183 -33.177 1.00 65.25 C ATOM 183 C ILE A 14 16.212 -2.854 -34.537 1.00 5.44 C ATOM 184 O ILE A 14 17.342 -3.244 -34.835 1.00 15.23 O ATOM 185 CB ILE A 14 16.028 -2.105 -32.163 1.00 4.21 C ATOM 186 CG1 ILE A 14 15.391 -2.378 -30.799 1.00 24.31 C ATOM 187 CG2 ILE A 14 15.642 -0.722 -32.667 1.00 35.43 C ATOM 188 CD1 ILE A 14 13.881 -2.454 -30.842 1.00 22.43 C ATOM 0 H ILE A 14 16.390 -4.549 -31.794 1.00 32.11 H new ATOM 0 HA ILE A 14 14.517 -3.185 -33.258 1.00 65.25 H new ATOM 0 HB ILE A 14 17.112 -2.140 -32.050 1.00 4.21 H new ATOM 0 HG12 ILE A 14 15.783 -3.316 -30.405 1.00 24.31 H new ATOM 0 HG13 ILE A 14 15.688 -1.592 -30.105 1.00 24.31 H new ATOM 0 HG21 ILE A 14 15.948 0.029 -31.939 1.00 35.43 H new ATOM 0 HG22 ILE A 14 16.139 -0.530 -33.618 1.00 35.43 H new ATOM 0 HG23 ILE A 14 14.562 -0.674 -32.806 1.00 35.43 H new ATOM 0 HD11 ILE A 14 13.498 -2.650 -29.841 1.00 22.43 H new ATOM 0 HD12 ILE A 14 13.479 -1.508 -31.206 1.00 22.43 H new ATOM 0 HD13 ILE A 14 13.576 -3.259 -31.511 1.00 22.43 H new ATOM 200 N PHE A 15 15.457 -2.131 -35.357 1.00 70.21 N ATOM 201 CA PHE A 15 15.921 -1.748 -36.685 1.00 44.41 C ATOM 202 C PHE A 15 16.505 -0.338 -36.671 1.00 54.41 C ATOM 203 O PHE A 15 16.709 0.251 -35.610 1.00 51.03 O ATOM 204 CB PHE A 15 14.773 -1.827 -37.693 1.00 12.42 C ATOM 205 CG PHE A 15 13.941 -3.070 -37.557 1.00 52.32 C ATOM 206 CD1 PHE A 15 14.541 -4.317 -37.486 1.00 1.54 C ATOM 207 CD2 PHE A 15 12.559 -2.992 -37.501 1.00 13.42 C ATOM 208 CE1 PHE A 15 13.778 -5.462 -37.362 1.00 12.03 C ATOM 209 CE2 PHE A 15 11.790 -4.134 -37.376 1.00 41.34 C ATOM 210 CZ PHE A 15 12.401 -5.370 -37.306 1.00 33.43 C ATOM 0 H PHE A 15 14.521 -1.798 -35.125 1.00 70.21 H new ATOM 0 HA PHE A 15 16.705 -2.444 -36.983 1.00 44.41 H new ATOM 0 HB2 PHE A 15 14.131 -0.955 -37.570 1.00 12.42 H new ATOM 0 HB3 PHE A 15 15.182 -1.782 -38.702 1.00 12.42 H new ATOM 0 HD1 PHE A 15 15.617 -4.395 -37.528 1.00 1.54 H new ATOM 0 HD2 PHE A 15 12.077 -2.027 -37.556 1.00 13.42 H new ATOM 0 HE1 PHE A 15 14.258 -6.428 -37.309 1.00 12.03 H new ATOM 0 HE2 PHE A 15 10.713 -4.059 -37.333 1.00 41.34 H new ATOM 0 HZ PHE A 15 11.803 -6.264 -37.208 1.00 33.43 H new ATOM 220 N GLY A 16 16.771 0.198 -37.859 1.00 0.25 N ATOM 221 CA GLY A 16 17.329 1.534 -37.961 1.00 53.03 C ATOM 222 C GLY A 16 18.811 1.521 -38.277 1.00 23.33 C ATOM 223 O GLY A 16 19.444 0.464 -38.281 1.00 12.35 O ATOM 0 H GLY A 16 16.610 -0.269 -38.752 1.00 0.25 H new ATOM 0 HA2 GLY A 16 16.800 2.087 -38.737 1.00 53.03 H new ATOM 0 HA3 GLY A 16 17.165 2.065 -37.023 1.00 53.03 H new ATOM 227 N LYS A 17 19.368 2.697 -38.544 1.00 63.00 N ATOM 228 CA LYS A 17 20.786 2.818 -38.863 1.00 11.11 C ATOM 229 C LYS A 17 21.639 2.698 -37.604 1.00 50.11 C ATOM 230 O LYS A 17 22.274 3.663 -37.178 1.00 14.02 O ATOM 231 CB LYS A 17 21.062 4.156 -39.553 1.00 61.43 C ATOM 232 CG LYS A 17 20.544 5.357 -38.781 1.00 62.14 C ATOM 233 CD LYS A 17 21.359 6.605 -39.079 1.00 74.45 C ATOM 234 CE LYS A 17 22.762 6.505 -38.503 1.00 24.14 C ATOM 235 NZ LYS A 17 23.458 7.822 -38.504 1.00 35.20 N ATOM 0 H LYS A 17 18.859 3.581 -38.546 1.00 63.00 H new ATOM 0 HA LYS A 17 21.051 2.005 -39.539 1.00 11.11 H new ATOM 0 HB2 LYS A 17 22.137 4.265 -39.699 1.00 61.43 H new ATOM 0 HB3 LYS A 17 20.605 4.146 -40.542 1.00 61.43 H new ATOM 0 HG2 LYS A 17 19.500 5.533 -39.038 1.00 62.14 H new ATOM 0 HG3 LYS A 17 20.578 5.146 -37.712 1.00 62.14 H new ATOM 0 HD2 LYS A 17 21.417 6.754 -40.157 1.00 74.45 H new ATOM 0 HD3 LYS A 17 20.855 7.478 -38.663 1.00 74.45 H new ATOM 0 HE2 LYS A 17 22.710 6.123 -37.484 1.00 24.14 H new ATOM 0 HE3 LYS A 17 23.342 5.787 -39.083 1.00 24.14 H new ATOM 0 HZ1 LYS A 17 24.471 7.679 -38.689 1.00 35.20 H new ATOM 0 HZ2 LYS A 17 23.053 8.428 -39.245 1.00 35.20 H new ATOM 0 HZ3 LYS A 17 23.337 8.279 -37.578 1.00 35.20 H new ATOM 249 N VAL A 18 21.651 1.507 -37.014 1.00 15.13 N ATOM 250 CA VAL A 18 22.428 1.260 -35.805 1.00 51.51 C ATOM 251 C VAL A 18 23.634 0.375 -36.099 1.00 0.54 C ATOM 252 O VAL A 18 23.867 -0.620 -35.413 1.00 11.51 O ATOM 253 CB VAL A 18 21.570 0.595 -34.712 1.00 64.03 C ATOM 254 CG1 VAL A 18 20.579 1.591 -34.131 1.00 1.24 C ATOM 255 CG2 VAL A 18 20.850 -0.623 -35.269 1.00 73.44 C ATOM 0 H VAL A 18 21.131 0.698 -37.354 1.00 15.13 H new ATOM 0 HA VAL A 18 22.772 2.230 -35.445 1.00 51.51 H new ATOM 0 HB VAL A 18 22.228 0.264 -33.909 1.00 64.03 H new ATOM 0 HG11 VAL A 18 19.982 1.103 -33.361 1.00 1.24 H new ATOM 0 HG12 VAL A 18 21.120 2.430 -33.693 1.00 1.24 H new ATOM 0 HG13 VAL A 18 19.923 1.955 -34.922 1.00 1.24 H new ATOM 0 HG21 VAL A 18 20.248 -1.081 -34.484 1.00 73.44 H new ATOM 0 HG22 VAL A 18 20.202 -0.318 -36.091 1.00 73.44 H new ATOM 0 HG23 VAL A 18 21.582 -1.344 -35.632 1.00 73.44 H new ATOM 265 N GLN A 19 24.398 0.745 -37.122 1.00 14.54 N ATOM 266 CA GLN A 19 25.580 -0.016 -37.506 1.00 5.32 C ATOM 267 C GLN A 19 26.854 0.695 -37.060 1.00 51.51 C ATOM 268 O GLN A 19 27.257 1.696 -37.651 1.00 44.12 O ATOM 269 CB GLN A 19 25.605 -0.230 -39.020 1.00 63.02 C ATOM 270 CG GLN A 19 24.393 -0.979 -39.549 1.00 32.45 C ATOM 271 CD GLN A 19 24.581 -1.464 -40.973 1.00 11.53 C ATOM 272 OE1 GLN A 19 25.656 -1.936 -41.343 1.00 41.33 O ATOM 273 NE2 GLN A 19 23.533 -1.349 -41.781 1.00 2.15 N ATOM 0 H GLN A 19 24.219 1.567 -37.699 1.00 14.54 H new ATOM 0 HA GLN A 19 25.534 -0.985 -37.010 1.00 5.32 H new ATOM 0 HB2 GLN A 19 25.667 0.739 -39.515 1.00 63.02 H new ATOM 0 HB3 GLN A 19 26.507 -0.781 -39.286 1.00 63.02 H new ATOM 0 HG2 GLN A 19 24.188 -1.833 -38.903 1.00 32.45 H new ATOM 0 HG3 GLN A 19 23.520 -0.328 -39.504 1.00 32.45 H new ATOM 0 HE21 GLN A 19 22.661 -0.952 -41.432 1.00 2.15 H new ATOM 0 HE22 GLN A 19 23.600 -1.658 -42.751 1.00 2.15 H new ATOM 282 N GLY A 20 27.483 0.171 -36.012 1.00 51.53 N ATOM 283 CA GLY A 20 28.704 0.770 -35.505 1.00 31.42 C ATOM 284 C GLY A 20 28.553 2.253 -35.231 1.00 72.24 C ATOM 285 O GLY A 20 29.460 3.038 -35.506 1.00 64.12 O ATOM 0 H GLY A 20 27.169 -0.657 -35.506 1.00 51.53 H new ATOM 0 HA2 GLY A 20 29.000 0.262 -34.587 1.00 31.42 H new ATOM 0 HA3 GLY A 20 29.507 0.617 -36.226 1.00 31.42 H new ATOM 289 N VAL A 21 27.402 2.639 -34.690 1.00 12.00 N ATOM 290 CA VAL A 21 27.134 4.038 -34.380 1.00 3.32 C ATOM 291 C VAL A 21 27.095 4.270 -32.873 1.00 63.45 C ATOM 292 O VAL A 21 26.464 5.212 -32.395 1.00 52.34 O ATOM 293 CB VAL A 21 25.801 4.504 -34.994 1.00 41.44 C ATOM 294 CG1 VAL A 21 25.839 4.378 -36.510 1.00 15.42 C ATOM 295 CG2 VAL A 21 24.641 3.710 -34.414 1.00 12.54 C ATOM 0 H VAL A 21 26.640 2.002 -34.457 1.00 12.00 H new ATOM 0 HA VAL A 21 27.948 4.619 -34.813 1.00 3.32 H new ATOM 0 HB VAL A 21 25.653 5.555 -34.744 1.00 41.44 H new ATOM 0 HG11 VAL A 21 24.889 4.712 -36.927 1.00 15.42 H new ATOM 0 HG12 VAL A 21 26.646 4.995 -36.906 1.00 15.42 H new ATOM 0 HG13 VAL A 21 26.010 3.337 -36.784 1.00 15.42 H new ATOM 0 HG21 VAL A 21 23.707 4.053 -34.859 1.00 12.54 H new ATOM 0 HG22 VAL A 21 24.780 2.651 -34.632 1.00 12.54 H new ATOM 0 HG23 VAL A 21 24.604 3.856 -33.335 1.00 12.54 H new ATOM 305 N PHE A 22 27.775 3.403 -32.130 1.00 1.34 N ATOM 306 CA PHE A 22 27.818 3.512 -30.676 1.00 42.51 C ATOM 307 C PHE A 22 26.409 3.584 -30.094 1.00 45.41 C ATOM 308 O PHE A 22 26.092 4.485 -29.316 1.00 61.54 O ATOM 309 CB PHE A 22 28.618 4.749 -30.260 1.00 31.22 C ATOM 310 CG PHE A 22 29.378 4.567 -28.977 1.00 41.13 C ATOM 311 CD1 PHE A 22 28.772 3.988 -27.874 1.00 5.45 C ATOM 312 CD2 PHE A 22 30.699 4.974 -28.875 1.00 55.35 C ATOM 313 CE1 PHE A 22 29.470 3.821 -26.692 1.00 73.20 C ATOM 314 CE2 PHE A 22 31.401 4.809 -27.697 1.00 30.14 C ATOM 315 CZ PHE A 22 30.786 4.230 -26.604 1.00 12.42 C ATOM 0 H PHE A 22 28.303 2.618 -32.510 1.00 1.34 H new ATOM 0 HA PHE A 22 28.309 2.621 -30.284 1.00 42.51 H new ATOM 0 HB2 PHE A 22 29.319 5.003 -31.055 1.00 31.22 H new ATOM 0 HB3 PHE A 22 27.937 5.593 -30.153 1.00 31.22 H new ATOM 0 HD1 PHE A 22 27.744 3.664 -27.938 1.00 5.45 H new ATOM 0 HD2 PHE A 22 31.185 5.426 -29.727 1.00 55.35 H new ATOM 0 HE1 PHE A 22 28.986 3.371 -25.838 1.00 73.20 H new ATOM 0 HE2 PHE A 22 32.429 5.132 -27.631 1.00 30.14 H new ATOM 0 HZ PHE A 22 31.333 4.097 -25.682 1.00 12.42 H new ATOM 325 N PHE A 23 25.568 2.630 -30.477 1.00 22.40 N ATOM 326 CA PHE A 23 24.193 2.584 -29.995 1.00 55.52 C ATOM 327 C PHE A 23 24.082 1.716 -28.746 1.00 21.53 C ATOM 328 O PHE A 23 22.986 1.328 -28.341 1.00 11.31 O ATOM 329 CB PHE A 23 23.265 2.048 -31.087 1.00 73.30 C ATOM 330 CG PHE A 23 21.809 2.295 -30.812 1.00 20.35 C ATOM 331 CD1 PHE A 23 21.363 3.556 -30.453 1.00 12.44 C ATOM 332 CD2 PHE A 23 20.887 1.266 -30.912 1.00 71.41 C ATOM 333 CE1 PHE A 23 20.024 3.786 -30.198 1.00 10.12 C ATOM 334 CE2 PHE A 23 19.547 1.489 -30.659 1.00 14.41 C ATOM 335 CZ PHE A 23 19.115 2.752 -30.302 1.00 74.22 C ATOM 0 H PHE A 23 25.815 1.878 -31.120 1.00 22.40 H new ATOM 0 HA PHE A 23 23.891 3.599 -29.737 1.00 55.52 H new ATOM 0 HB2 PHE A 23 23.530 2.511 -32.037 1.00 73.30 H new ATOM 0 HB3 PHE A 23 23.429 0.976 -31.198 1.00 73.30 H new ATOM 0 HD1 PHE A 23 22.069 4.369 -30.371 1.00 12.44 H new ATOM 0 HD2 PHE A 23 21.220 0.277 -31.191 1.00 71.41 H new ATOM 0 HE1 PHE A 23 19.689 4.774 -29.918 1.00 10.12 H new ATOM 0 HE2 PHE A 23 18.839 0.678 -30.740 1.00 14.41 H new ATOM 0 HZ PHE A 23 18.068 2.930 -30.105 1.00 74.22 H new ATOM 345 N ARG A 24 25.226 1.413 -28.140 1.00 34.30 N ATOM 346 CA ARG A 24 25.259 0.588 -26.938 1.00 15.30 C ATOM 347 C ARG A 24 25.729 1.400 -25.735 1.00 2.03 C ATOM 348 O ARG A 24 26.499 0.913 -24.906 1.00 41.33 O ATOM 349 CB ARG A 24 26.178 -0.617 -27.145 1.00 41.52 C ATOM 350 CG ARG A 24 27.624 -0.239 -27.425 1.00 15.52 C ATOM 351 CD ARG A 24 28.322 -1.294 -28.268 1.00 41.31 C ATOM 352 NE ARG A 24 29.661 -0.873 -28.671 1.00 64.54 N ATOM 353 CZ ARG A 24 30.692 -0.803 -27.836 1.00 41.24 C ATOM 354 NH1 ARG A 24 30.538 -1.123 -26.559 1.00 71.32 N ATOM 355 NH2 ARG A 24 31.880 -0.411 -28.279 1.00 22.42 N ATOM 0 H ARG A 24 26.142 1.726 -28.462 1.00 34.30 H new ATOM 0 HA ARG A 24 24.247 0.234 -26.743 1.00 15.30 H new ATOM 0 HB2 ARG A 24 26.142 -1.248 -26.257 1.00 41.52 H new ATOM 0 HB3 ARG A 24 25.800 -1.213 -27.975 1.00 41.52 H new ATOM 0 HG2 ARG A 24 27.657 0.721 -27.941 1.00 15.52 H new ATOM 0 HG3 ARG A 24 28.157 -0.113 -26.483 1.00 15.52 H new ATOM 0 HD2 ARG A 24 28.389 -2.224 -27.703 1.00 41.31 H new ATOM 0 HD3 ARG A 24 27.725 -1.502 -29.156 1.00 41.31 H new ATOM 0 HE ARG A 24 29.813 -0.619 -29.647 1.00 64.54 H new ATOM 0 HH11 ARG A 24 29.626 -1.424 -26.215 1.00 71.32 H new ATOM 0 HH12 ARG A 24 31.331 -1.068 -25.920 1.00 71.32 H new ATOM 0 HH21 ARG A 24 32.002 -0.163 -29.261 1.00 22.42 H new ATOM 0 HH22 ARG A 24 32.671 -0.357 -27.638 1.00 22.42 H new ATOM 369 N LYS A 25 25.262 2.641 -25.645 1.00 71.40 N ATOM 370 CA LYS A 25 25.633 3.521 -24.544 1.00 23.14 C ATOM 371 C LYS A 25 24.398 3.992 -23.783 1.00 53.13 C ATOM 372 O LYS A 25 24.415 4.101 -22.557 1.00 22.22 O ATOM 373 CB LYS A 25 26.413 4.728 -25.069 1.00 50.33 C ATOM 374 CG LYS A 25 27.270 5.405 -24.014 1.00 12.53 C ATOM 375 CD LYS A 25 27.453 6.885 -24.309 1.00 35.23 C ATOM 376 CE LYS A 25 28.338 7.105 -25.526 1.00 11.23 C ATOM 377 NZ LYS A 25 27.553 7.098 -26.791 1.00 40.12 N ATOM 0 H LYS A 25 24.625 3.060 -26.323 1.00 71.40 H new ATOM 0 HA LYS A 25 26.266 2.957 -23.859 1.00 23.14 H new ATOM 0 HB2 LYS A 25 27.051 4.407 -25.892 1.00 50.33 H new ATOM 0 HB3 LYS A 25 25.710 5.455 -25.475 1.00 50.33 H new ATOM 0 HG2 LYS A 25 26.807 5.283 -23.035 1.00 12.53 H new ATOM 0 HG3 LYS A 25 28.245 4.919 -23.969 1.00 12.53 H new ATOM 0 HD2 LYS A 25 26.480 7.347 -24.477 1.00 35.23 H new ATOM 0 HD3 LYS A 25 27.894 7.378 -23.443 1.00 35.23 H new ATOM 0 HE2 LYS A 25 28.860 8.057 -25.428 1.00 11.23 H new ATOM 0 HE3 LYS A 25 29.100 6.326 -25.567 1.00 11.23 H new ATOM 0 HZ1 LYS A 25 27.821 7.919 -27.370 1.00 40.12 H new ATOM 0 HZ2 LYS A 25 27.751 6.223 -27.318 1.00 40.12 H new ATOM 0 HZ3 LYS A 25 26.538 7.146 -26.570 1.00 40.12 H new ATOM 391 N HIS A 26 23.326 4.269 -24.519 1.00 12.41 N ATOM 392 CA HIS A 26 22.080 4.727 -23.913 1.00 4.00 C ATOM 393 C HIS A 26 21.175 3.546 -23.574 1.00 42.51 C ATOM 394 O HIS A 26 20.355 3.621 -22.658 1.00 42.43 O ATOM 395 CB HIS A 26 21.354 5.688 -24.854 1.00 53.22 C ATOM 396 CG HIS A 26 20.367 6.575 -24.159 1.00 50.34 C ATOM 397 ND1 HIS A 26 20.701 7.381 -23.091 1.00 70.14 N ATOM 398 CD2 HIS A 26 19.049 6.782 -24.387 1.00 12.00 C ATOM 399 CE1 HIS A 26 19.631 8.044 -22.691 1.00 34.51 C ATOM 400 NE2 HIS A 26 18.615 7.698 -23.461 1.00 55.41 N ATOM 0 H HIS A 26 23.295 4.184 -25.535 1.00 12.41 H new ATOM 0 HA HIS A 26 22.325 5.251 -22.989 1.00 4.00 H new ATOM 0 HB2 HIS A 26 22.090 6.308 -25.366 1.00 53.22 H new ATOM 0 HB3 HIS A 26 20.836 5.111 -25.620 1.00 53.22 H new ATOM 0 HD2 HIS A 26 18.450 6.314 -25.154 1.00 12.00 H new ATOM 0 HE1 HIS A 26 19.593 8.749 -21.874 1.00 34.51 H new ATOM 0 HE2 HIS A 26 17.662 8.054 -23.381 1.00 55.41 H new ATOM 408 N THR A 27 21.329 2.456 -24.319 1.00 55.23 N ATOM 409 CA THR A 27 20.524 1.261 -24.099 1.00 63.24 C ATOM 410 C THR A 27 20.783 0.671 -22.718 1.00 32.31 C ATOM 411 O THR A 27 19.922 -0.001 -22.150 1.00 2.35 O ATOM 412 CB THR A 27 20.811 0.187 -25.166 1.00 20.12 C ATOM 413 OG1 THR A 27 19.914 -0.917 -25.003 1.00 74.00 O ATOM 414 CG2 THR A 27 22.248 -0.303 -25.068 1.00 40.31 C ATOM 0 H THR A 27 22.004 2.376 -25.080 1.00 55.23 H new ATOM 0 HA THR A 27 19.480 1.565 -24.171 1.00 63.24 H new ATOM 0 HB THR A 27 20.662 0.634 -26.149 1.00 20.12 H new ATOM 0 HG1 THR A 27 20.102 -1.595 -25.686 1.00 74.00 H new ATOM 0 HG21 THR A 27 22.427 -1.061 -25.831 1.00 40.31 H new ATOM 0 HG22 THR A 27 22.929 0.534 -25.221 1.00 40.31 H new ATOM 0 HG23 THR A 27 22.419 -0.734 -24.082 1.00 40.31 H new ATOM 422 N GLN A 28 21.973 0.926 -22.183 1.00 54.25 N ATOM 423 CA GLN A 28 22.343 0.419 -20.867 1.00 42.35 C ATOM 424 C GLN A 28 21.921 1.392 -19.771 1.00 31.51 C ATOM 425 O GLN A 28 21.639 0.986 -18.644 1.00 0.44 O ATOM 426 CB GLN A 28 23.852 0.177 -20.797 1.00 71.13 C ATOM 427 CG GLN A 28 24.670 1.455 -20.702 1.00 34.23 C ATOM 428 CD GLN A 28 24.894 1.898 -19.270 1.00 11.44 C ATOM 429 OE1 GLN A 28 24.453 2.975 -18.865 1.00 23.44 O ATOM 430 NE2 GLN A 28 25.582 1.069 -18.494 1.00 2.33 N ATOM 0 H GLN A 28 22.697 1.480 -22.640 1.00 54.25 H new ATOM 0 HA GLN A 28 21.823 -0.526 -20.709 1.00 42.35 H new ATOM 0 HB2 GLN A 28 24.071 -0.450 -19.933 1.00 71.13 H new ATOM 0 HB3 GLN A 28 24.164 -0.379 -21.681 1.00 71.13 H new ATOM 0 HG2 GLN A 28 25.634 1.302 -21.186 1.00 34.23 H new ATOM 0 HG3 GLN A 28 24.162 2.249 -21.249 1.00 34.23 H new ATOM 0 HE21 GLN A 28 25.929 0.187 -18.871 1.00 2.33 H new ATOM 0 HE22 GLN A 28 25.764 1.314 -17.521 1.00 2.33 H new ATOM 439 N ALA A 29 21.880 2.676 -20.109 1.00 52.05 N ATOM 440 CA ALA A 29 21.490 3.706 -19.154 1.00 64.31 C ATOM 441 C ALA A 29 20.027 3.557 -18.753 1.00 32.13 C ATOM 442 O ALA A 29 19.706 3.461 -17.569 1.00 33.02 O ATOM 443 CB ALA A 29 21.742 5.089 -19.737 1.00 31.42 C ATOM 0 H ALA A 29 22.112 3.028 -21.038 1.00 52.05 H new ATOM 0 HA ALA A 29 22.099 3.585 -18.258 1.00 64.31 H new ATOM 0 HB1 ALA A 29 21.446 5.848 -19.013 1.00 31.42 H new ATOM 0 HB2 ALA A 29 22.802 5.200 -19.966 1.00 31.42 H new ATOM 0 HB3 ALA A 29 21.159 5.211 -20.650 1.00 31.42 H new ATOM 449 N GLU A 30 19.144 3.539 -19.747 1.00 1.34 N ATOM 450 CA GLU A 30 17.714 3.404 -19.495 1.00 62.31 C ATOM 451 C GLU A 30 17.419 2.131 -18.706 1.00 53.24 C ATOM 452 O GLU A 30 16.499 2.093 -17.890 1.00 51.14 O ATOM 453 CB GLU A 30 16.941 3.390 -20.815 1.00 73.22 C ATOM 454 CG GLU A 30 16.891 4.742 -21.506 1.00 42.20 C ATOM 455 CD GLU A 30 16.383 5.844 -20.596 1.00 62.22 C ATOM 456 OE1 GLU A 30 15.560 5.546 -19.706 1.00 53.30 O ATOM 457 OE2 GLU A 30 16.810 7.004 -20.775 1.00 21.12 O ATOM 0 H GLU A 30 19.394 3.616 -20.733 1.00 1.34 H new ATOM 0 HA GLU A 30 17.392 4.261 -18.903 1.00 62.31 H new ATOM 0 HB2 GLU A 30 17.400 2.665 -21.487 1.00 73.22 H new ATOM 0 HB3 GLU A 30 15.923 3.050 -20.626 1.00 73.22 H new ATOM 0 HG2 GLU A 30 17.888 5.001 -21.862 1.00 42.20 H new ATOM 0 HG3 GLU A 30 16.247 4.674 -22.383 1.00 42.20 H new ATOM 464 N GLY A 31 18.207 1.090 -18.957 1.00 74.13 N ATOM 465 CA GLY A 31 18.014 -0.170 -18.264 1.00 74.41 C ATOM 466 C GLY A 31 18.567 -0.147 -16.853 1.00 42.42 C ATOM 467 O GLY A 31 18.105 -0.886 -15.984 1.00 64.41 O ATOM 0 H GLY A 31 18.975 1.097 -19.628 1.00 74.13 H new ATOM 0 HA2 GLY A 31 16.950 -0.403 -18.230 1.00 74.41 H new ATOM 0 HA3 GLY A 31 18.497 -0.968 -18.827 1.00 74.41 H new ATOM 471 N LYS A 32 19.561 0.705 -16.624 1.00 23.44 N ATOM 472 CA LYS A 32 20.180 0.822 -15.309 1.00 0.44 C ATOM 473 C LYS A 32 19.260 1.557 -14.338 1.00 63.14 C ATOM 474 O LYS A 32 19.231 1.255 -13.145 1.00 44.40 O ATOM 475 CB LYS A 32 21.518 1.558 -15.416 1.00 13.03 C ATOM 476 CG LYS A 32 22.668 0.668 -15.855 1.00 54.44 C ATOM 477 CD LYS A 32 23.440 0.126 -14.665 1.00 2.44 C ATOM 478 CE LYS A 32 22.672 -0.980 -13.958 1.00 55.21 C ATOM 479 NZ LYS A 32 21.778 -0.442 -12.895 1.00 31.41 N ATOM 0 H LYS A 32 19.955 1.324 -17.332 1.00 23.44 H new ATOM 0 HA LYS A 32 20.355 -0.184 -14.926 1.00 0.44 H new ATOM 0 HB2 LYS A 32 21.415 2.380 -16.124 1.00 13.03 H new ATOM 0 HB3 LYS A 32 21.759 1.999 -14.449 1.00 13.03 H new ATOM 0 HG2 LYS A 32 22.282 -0.161 -16.447 1.00 54.44 H new ATOM 0 HG3 LYS A 32 23.341 1.233 -16.499 1.00 54.44 H new ATOM 0 HD2 LYS A 32 24.405 -0.256 -14.999 1.00 2.44 H new ATOM 0 HD3 LYS A 32 23.643 0.935 -13.963 1.00 2.44 H new ATOM 0 HE2 LYS A 32 22.079 -1.533 -14.686 1.00 55.21 H new ATOM 0 HE3 LYS A 32 23.376 -1.687 -13.518 1.00 55.21 H new ATOM 0 HZ1 LYS A 32 22.131 -0.737 -11.962 1.00 31.41 H new ATOM 0 HZ2 LYS A 32 21.763 0.597 -12.947 1.00 31.41 H new ATOM 0 HZ3 LYS A 32 20.815 -0.809 -13.033 1.00 31.41 H new ATOM 493 N LYS A 33 18.508 2.521 -14.858 1.00 45.32 N ATOM 494 CA LYS A 33 17.585 3.297 -14.039 1.00 51.53 C ATOM 495 C LYS A 33 16.296 2.521 -13.788 1.00 2.01 C ATOM 496 O LYS A 33 15.675 2.655 -12.733 1.00 35.20 O ATOM 497 CB LYS A 33 17.265 4.631 -14.719 1.00 62.21 C ATOM 498 CG LYS A 33 18.237 5.743 -14.364 1.00 33.11 C ATOM 499 CD LYS A 33 18.043 6.217 -12.933 1.00 61.32 C ATOM 500 CE LYS A 33 19.159 7.155 -12.501 1.00 42.40 C ATOM 501 NZ LYS A 33 19.185 8.400 -13.319 1.00 21.33 N ATOM 0 H LYS A 33 18.520 2.784 -15.844 1.00 45.32 H new ATOM 0 HA LYS A 33 18.065 3.491 -13.080 1.00 51.53 H new ATOM 0 HB2 LYS A 33 17.268 4.488 -15.800 1.00 62.21 H new ATOM 0 HB3 LYS A 33 16.257 4.938 -14.441 1.00 62.21 H new ATOM 0 HG2 LYS A 33 19.260 5.390 -14.496 1.00 33.11 H new ATOM 0 HG3 LYS A 33 18.099 6.581 -15.048 1.00 33.11 H new ATOM 0 HD2 LYS A 33 17.083 6.726 -12.844 1.00 61.32 H new ATOM 0 HD3 LYS A 33 18.010 5.356 -12.265 1.00 61.32 H new ATOM 0 HE2 LYS A 33 19.030 7.414 -11.450 1.00 42.40 H new ATOM 0 HE3 LYS A 33 20.118 6.643 -12.588 1.00 42.40 H new ATOM 0 HZ1 LYS A 33 19.904 9.049 -12.940 1.00 21.33 H new ATOM 0 HZ2 LYS A 33 19.418 8.163 -14.305 1.00 21.33 H new ATOM 0 HZ3 LYS A 33 18.252 8.858 -13.284 1.00 21.33 H new ATOM 515 N LEU A 34 15.901 1.709 -14.762 1.00 31.31 N ATOM 516 CA LEU A 34 14.686 0.909 -14.645 1.00 64.04 C ATOM 517 C LEU A 34 14.922 -0.314 -13.764 1.00 51.42 C ATOM 518 O LEU A 34 14.093 -0.652 -12.920 1.00 62.24 O ATOM 519 CB LEU A 34 14.207 0.469 -16.030 1.00 1.21 C ATOM 520 CG LEU A 34 13.525 1.544 -16.877 1.00 14.14 C ATOM 521 CD1 LEU A 34 13.356 1.067 -18.311 1.00 31.24 C ATOM 522 CD2 LEU A 34 12.178 1.921 -16.276 1.00 60.21 C ATOM 0 H LEU A 34 16.404 1.587 -15.641 1.00 31.31 H new ATOM 0 HA LEU A 34 13.917 1.526 -14.180 1.00 64.04 H new ATOM 0 HB2 LEU A 34 15.064 0.087 -16.585 1.00 1.21 H new ATOM 0 HB3 LEU A 34 13.513 -0.362 -15.905 1.00 1.21 H new ATOM 0 HG LEU A 34 14.159 2.431 -16.884 1.00 14.14 H new ATOM 0 HD11 LEU A 34 12.869 1.845 -18.898 1.00 31.24 H new ATOM 0 HD12 LEU A 34 14.334 0.848 -18.739 1.00 31.24 H new ATOM 0 HD13 LEU A 34 12.744 0.165 -18.325 1.00 31.24 H new ATOM 0 HD21 LEU A 34 11.707 2.687 -16.892 1.00 60.21 H new ATOM 0 HD22 LEU A 34 11.537 1.040 -16.239 1.00 60.21 H new ATOM 0 HD23 LEU A 34 12.325 2.306 -15.267 1.00 60.21 H new ATOM 534 N GLY A 35 16.060 -0.972 -13.965 1.00 52.43 N ATOM 535 CA GLY A 35 16.385 -2.148 -13.180 1.00 41.03 C ATOM 536 C GLY A 35 16.290 -3.428 -13.987 1.00 45.20 C ATOM 537 O GLY A 35 16.154 -4.516 -13.426 1.00 4.22 O ATOM 0 H GLY A 35 16.762 -0.711 -14.657 1.00 52.43 H new ATOM 0 HA2 GLY A 35 17.395 -2.047 -12.781 1.00 41.03 H new ATOM 0 HA3 GLY A 35 15.710 -2.209 -12.326 1.00 41.03 H new ATOM 541 N LEU A 36 16.361 -3.299 -15.307 1.00 73.44 N ATOM 542 CA LEU A 36 16.280 -4.455 -16.194 1.00 24.22 C ATOM 543 C LEU A 36 17.671 -4.999 -16.507 1.00 52.44 C ATOM 544 O LEU A 36 18.681 -4.374 -16.182 1.00 73.31 O ATOM 545 CB LEU A 36 15.563 -4.079 -17.491 1.00 40.33 C ATOM 546 CG LEU A 36 14.127 -3.574 -17.342 1.00 62.34 C ATOM 547 CD1 LEU A 36 13.495 -3.352 -18.708 1.00 2.03 C ATOM 548 CD2 LEU A 36 13.300 -4.554 -16.523 1.00 20.11 C ATOM 0 H LEU A 36 16.474 -2.406 -15.787 1.00 73.44 H new ATOM 0 HA LEU A 36 15.711 -5.233 -15.685 1.00 24.22 H new ATOM 0 HB2 LEU A 36 16.147 -3.309 -17.996 1.00 40.33 H new ATOM 0 HB3 LEU A 36 15.554 -4.952 -18.144 1.00 40.33 H new ATOM 0 HG LEU A 36 14.150 -2.620 -16.816 1.00 62.34 H new ATOM 0 HD11 LEU A 36 12.474 -2.993 -18.582 1.00 2.03 H new ATOM 0 HD12 LEU A 36 14.074 -2.613 -19.261 1.00 2.03 H new ATOM 0 HD13 LEU A 36 13.484 -4.291 -19.261 1.00 2.03 H new ATOM 0 HD21 LEU A 36 12.281 -4.179 -16.427 1.00 20.11 H new ATOM 0 HD22 LEU A 36 13.284 -5.523 -17.022 1.00 20.11 H new ATOM 0 HD23 LEU A 36 13.741 -4.663 -15.532 1.00 20.11 H new ATOM 560 N VAL A 37 17.715 -6.165 -17.143 1.00 61.03 N ATOM 561 CA VAL A 37 18.981 -6.791 -17.504 1.00 63.33 C ATOM 562 C VAL A 37 18.934 -7.349 -18.922 1.00 40.04 C ATOM 563 O VAL A 37 17.966 -7.138 -19.652 1.00 2.42 O ATOM 564 CB VAL A 37 19.344 -7.927 -16.529 1.00 74.54 C ATOM 565 CG1 VAL A 37 19.366 -7.416 -15.097 1.00 42.53 C ATOM 566 CG2 VAL A 37 18.368 -9.085 -16.675 1.00 73.31 C ATOM 0 H VAL A 37 16.888 -6.695 -17.419 1.00 61.03 H new ATOM 0 HA VAL A 37 19.745 -6.015 -17.447 1.00 63.33 H new ATOM 0 HB VAL A 37 20.342 -8.289 -16.775 1.00 74.54 H new ATOM 0 HG11 VAL A 37 19.624 -8.233 -14.423 1.00 42.53 H new ATOM 0 HG12 VAL A 37 20.107 -6.622 -15.005 1.00 42.53 H new ATOM 0 HG13 VAL A 37 18.382 -7.026 -14.835 1.00 42.53 H new ATOM 0 HG21 VAL A 37 18.639 -9.879 -15.979 1.00 73.31 H new ATOM 0 HG22 VAL A 37 17.358 -8.739 -16.456 1.00 73.31 H new ATOM 0 HG23 VAL A 37 18.407 -9.468 -17.695 1.00 73.31 H new ATOM 576 N GLY A 38 19.987 -8.064 -19.307 1.00 3.30 N ATOM 577 CA GLY A 38 20.046 -8.642 -20.637 1.00 10.41 C ATOM 578 C GLY A 38 21.380 -8.401 -21.315 1.00 51.13 C ATOM 579 O GLY A 38 22.434 -8.657 -20.734 1.00 4.52 O ATOM 0 H GLY A 38 20.800 -8.253 -18.721 1.00 3.30 H new ATOM 0 HA2 GLY A 38 19.863 -9.715 -20.572 1.00 10.41 H new ATOM 0 HA3 GLY A 38 19.249 -8.220 -21.249 1.00 10.41 H new ATOM 583 N TRP A 39 21.334 -7.910 -22.548 1.00 43.33 N ATOM 584 CA TRP A 39 22.549 -7.636 -23.307 1.00 65.22 C ATOM 585 C TRP A 39 22.223 -6.955 -24.631 1.00 55.33 C ATOM 586 O TRP A 39 21.189 -7.227 -25.242 1.00 61.14 O ATOM 587 CB TRP A 39 23.318 -8.934 -23.563 1.00 41.44 C ATOM 588 CG TRP A 39 22.560 -9.917 -24.402 1.00 61.35 C ATOM 589 CD1 TRP A 39 22.333 -9.844 -25.747 1.00 53.11 C ATOM 590 CD2 TRP A 39 21.929 -11.121 -23.952 1.00 14.42 C ATOM 591 NE1 TRP A 39 21.598 -10.929 -26.160 1.00 32.25 N ATOM 592 CE2 TRP A 39 21.338 -11.728 -25.077 1.00 52.34 C ATOM 593 CE3 TRP A 39 21.806 -11.745 -22.708 1.00 23.41 C ATOM 594 CZ2 TRP A 39 20.636 -12.927 -24.993 1.00 72.12 C ATOM 595 CZ3 TRP A 39 21.109 -12.936 -22.626 1.00 11.41 C ATOM 596 CH2 TRP A 39 20.532 -13.517 -23.763 1.00 14.23 C ATOM 0 H TRP A 39 20.469 -7.693 -23.043 1.00 43.33 H new ATOM 0 HA TRP A 39 23.171 -6.962 -22.718 1.00 65.22 H new ATOM 0 HB2 TRP A 39 24.261 -8.698 -24.055 1.00 41.44 H new ATOM 0 HB3 TRP A 39 23.564 -9.397 -22.607 1.00 41.44 H new ATOM 0 HD1 TRP A 39 22.680 -9.050 -26.391 1.00 53.11 H new ATOM 0 HE1 TRP A 39 21.295 -11.110 -27.117 1.00 32.25 H new ATOM 0 HE3 TRP A 39 22.248 -11.305 -21.826 1.00 23.41 H new ATOM 0 HZ2 TRP A 39 20.189 -13.376 -25.868 1.00 72.12 H new ATOM 0 HZ3 TRP A 39 21.007 -13.427 -21.669 1.00 11.41 H new ATOM 0 HH2 TRP A 39 19.995 -14.449 -23.667 1.00 14.23 H new ATOM 607 N VAL A 40 23.109 -6.067 -25.070 1.00 64.01 N ATOM 608 CA VAL A 40 22.915 -5.347 -26.323 1.00 61.41 C ATOM 609 C VAL A 40 24.145 -5.460 -27.218 1.00 15.54 C ATOM 610 O VAL A 40 25.277 -5.367 -26.746 1.00 23.23 O ATOM 611 CB VAL A 40 22.609 -3.859 -26.074 1.00 3.53 C ATOM 612 CG1 VAL A 40 23.823 -3.155 -25.485 1.00 71.30 C ATOM 613 CG2 VAL A 40 22.165 -3.183 -27.362 1.00 74.32 C ATOM 0 H VAL A 40 23.969 -5.829 -24.576 1.00 64.01 H new ATOM 0 HA VAL A 40 22.062 -5.806 -26.823 1.00 61.41 H new ATOM 0 HB VAL A 40 21.793 -3.790 -25.354 1.00 3.53 H new ATOM 0 HG11 VAL A 40 23.588 -2.104 -25.316 1.00 71.30 H new ATOM 0 HG12 VAL A 40 24.092 -3.624 -24.538 1.00 71.30 H new ATOM 0 HG13 VAL A 40 24.660 -3.232 -26.178 1.00 71.30 H new ATOM 0 HG21 VAL A 40 21.953 -2.132 -27.167 1.00 74.32 H new ATOM 0 HG22 VAL A 40 22.958 -3.261 -28.106 1.00 74.32 H new ATOM 0 HG23 VAL A 40 21.266 -3.671 -27.738 1.00 74.32 H new ATOM 623 N GLN A 41 23.912 -5.659 -28.511 1.00 43.40 N ATOM 624 CA GLN A 41 25.002 -5.784 -29.472 1.00 11.51 C ATOM 625 C GLN A 41 24.496 -5.588 -30.897 1.00 51.32 C ATOM 626 O GLN A 41 23.443 -6.105 -31.269 1.00 2.51 O ATOM 627 CB GLN A 41 25.672 -7.152 -29.340 1.00 22.14 C ATOM 628 CG GLN A 41 27.103 -7.181 -29.852 1.00 41.31 C ATOM 629 CD GLN A 41 27.525 -8.557 -30.329 1.00 52.40 C ATOM 630 OE1 GLN A 41 27.249 -9.564 -29.676 1.00 45.25 O ATOM 631 NE2 GLN A 41 28.197 -8.607 -31.473 1.00 51.42 N ATOM 0 H GLN A 41 22.980 -5.737 -28.917 1.00 43.40 H new ATOM 0 HA GLN A 41 25.735 -5.006 -29.256 1.00 11.51 H new ATOM 0 HB2 GLN A 41 25.664 -7.452 -28.292 1.00 22.14 H new ATOM 0 HB3 GLN A 41 25.084 -7.889 -29.887 1.00 22.14 H new ATOM 0 HG2 GLN A 41 27.206 -6.469 -30.671 1.00 41.31 H new ATOM 0 HG3 GLN A 41 27.775 -6.854 -29.059 1.00 41.31 H new ATOM 0 HE21 GLN A 41 28.404 -7.747 -31.981 1.00 51.42 H new ATOM 0 HE22 GLN A 41 28.506 -9.505 -31.844 1.00 51.42 H new ATOM 640 N ASN A 42 25.253 -4.837 -31.691 1.00 21.21 N ATOM 641 CA ASN A 42 24.881 -4.572 -33.076 1.00 35.22 C ATOM 642 C ASN A 42 25.397 -5.672 -33.998 1.00 45.02 C ATOM 643 O ASN A 42 26.594 -5.961 -34.029 1.00 62.10 O ATOM 644 CB ASN A 42 25.430 -3.216 -33.523 1.00 11.01 C ATOM 645 CG ASN A 42 26.936 -3.124 -33.371 1.00 50.24 C ATOM 646 OD1 ASN A 42 27.469 -3.246 -32.268 1.00 73.23 O ATOM 647 ND2 ASN A 42 27.630 -2.907 -34.483 1.00 0.35 N ATOM 0 H ASN A 42 26.128 -4.401 -31.399 1.00 21.21 H new ATOM 0 HA ASN A 42 23.793 -4.553 -33.137 1.00 35.22 H new ATOM 0 HB2 ASN A 42 25.161 -3.044 -34.565 1.00 11.01 H new ATOM 0 HB3 ASN A 42 24.959 -2.426 -32.938 1.00 11.01 H new ATOM 0 HD21 ASN A 42 28.647 -2.835 -34.444 1.00 0.35 H new ATOM 0 HD22 ASN A 42 27.146 -2.812 -35.376 1.00 0.35 H new ATOM 654 N THR A 43 24.487 -6.283 -34.750 1.00 50.22 N ATOM 655 CA THR A 43 24.850 -7.351 -35.673 1.00 53.21 C ATOM 656 C THR A 43 25.406 -6.787 -36.975 1.00 44.22 C ATOM 657 O THR A 43 25.585 -5.576 -37.113 1.00 33.45 O ATOM 658 CB THR A 43 23.642 -8.252 -35.992 1.00 52.10 C ATOM 659 OG1 THR A 43 22.649 -7.506 -36.705 1.00 32.03 O ATOM 660 CG2 THR A 43 23.038 -8.820 -34.716 1.00 43.42 C ATOM 0 H THR A 43 23.493 -6.056 -34.738 1.00 50.22 H new ATOM 0 HA THR A 43 25.619 -7.947 -35.181 1.00 53.21 H new ATOM 0 HB THR A 43 23.988 -9.080 -36.611 1.00 52.10 H new ATOM 0 HG1 THR A 43 22.323 -6.773 -36.142 1.00 32.03 H new ATOM 0 HG21 THR A 43 22.187 -9.453 -34.967 1.00 43.42 H new ATOM 0 HG22 THR A 43 23.788 -9.412 -34.191 1.00 43.42 H new ATOM 0 HG23 THR A 43 22.706 -8.003 -34.075 1.00 43.42 H new ATOM 668 N ASP A 44 25.679 -7.671 -37.929 1.00 15.22 N ATOM 669 CA ASP A 44 26.214 -7.260 -39.222 1.00 33.32 C ATOM 670 C ASP A 44 25.090 -7.045 -40.231 1.00 43.31 C ATOM 671 O ASP A 44 25.223 -6.250 -41.162 1.00 12.43 O ATOM 672 CB ASP A 44 27.195 -8.309 -39.748 1.00 35.31 C ATOM 673 CG ASP A 44 28.208 -8.731 -38.702 1.00 15.02 C ATOM 674 OD1 ASP A 44 28.889 -7.845 -38.146 1.00 22.04 O ATOM 675 OD2 ASP A 44 28.319 -9.947 -38.440 1.00 22.12 O ATOM 0 H ASP A 44 25.539 -8.677 -37.831 1.00 15.22 H new ATOM 0 HA ASP A 44 26.742 -6.316 -39.086 1.00 33.32 H new ATOM 0 HB2 ASP A 44 26.640 -9.184 -40.086 1.00 35.31 H new ATOM 0 HB3 ASP A 44 27.719 -7.909 -40.616 1.00 35.31 H new ATOM 680 N ARG A 45 23.986 -7.759 -40.041 1.00 13.21 N ATOM 681 CA ARG A 45 22.840 -7.647 -40.936 1.00 23.20 C ATOM 682 C ARG A 45 22.321 -6.213 -40.978 1.00 72.10 C ATOM 683 O ARG A 45 22.002 -5.688 -42.044 1.00 61.52 O ATOM 684 CB ARG A 45 21.723 -8.593 -40.490 1.00 5.31 C ATOM 685 CG ARG A 45 22.108 -10.062 -40.551 1.00 4.20 C ATOM 686 CD ARG A 45 21.172 -10.918 -39.714 1.00 33.44 C ATOM 687 NE ARG A 45 21.239 -12.329 -40.088 1.00 14.45 N ATOM 688 CZ ARG A 45 20.558 -13.286 -39.468 1.00 74.30 C ATOM 689 NH1 ARG A 45 19.762 -12.987 -38.450 1.00 44.43 N ATOM 690 NH2 ARG A 45 20.671 -14.547 -39.867 1.00 10.23 N ATOM 0 H ARG A 45 23.860 -8.421 -39.276 1.00 13.21 H new ATOM 0 HA ARG A 45 23.165 -7.927 -41.938 1.00 23.20 H new ATOM 0 HB2 ARG A 45 21.434 -8.344 -39.469 1.00 5.31 H new ATOM 0 HB3 ARG A 45 20.847 -8.429 -41.118 1.00 5.31 H new ATOM 0 HG2 ARG A 45 22.086 -10.402 -41.586 1.00 4.20 H new ATOM 0 HG3 ARG A 45 23.131 -10.186 -40.196 1.00 4.20 H new ATOM 0 HD2 ARG A 45 21.427 -10.810 -38.660 1.00 33.44 H new ATOM 0 HD3 ARG A 45 20.149 -10.560 -39.833 1.00 33.44 H new ATOM 0 HE ARG A 45 21.841 -12.593 -40.867 1.00 14.45 H new ATOM 0 HH11 ARG A 45 19.671 -12.019 -38.141 1.00 44.43 H new ATOM 0 HH12 ARG A 45 19.241 -13.725 -37.976 1.00 44.43 H new ATOM 0 HH21 ARG A 45 21.281 -14.781 -40.650 1.00 10.23 H new ATOM 0 HH22 ARG A 45 20.148 -15.282 -39.390 1.00 10.23 H new ATOM 704 N GLY A 46 22.238 -5.584 -39.809 1.00 71.43 N ATOM 705 CA GLY A 46 21.756 -4.218 -39.735 1.00 0.43 C ATOM 706 C GLY A 46 20.738 -4.021 -38.629 1.00 21.32 C ATOM 707 O GLY A 46 19.770 -3.277 -38.789 1.00 45.44 O ATOM 0 H GLY A 46 22.496 -5.997 -38.913 1.00 71.43 H new ATOM 0 HA2 GLY A 46 22.599 -3.547 -39.572 1.00 0.43 H new ATOM 0 HA3 GLY A 46 21.309 -3.942 -40.690 1.00 0.43 H new ATOM 711 N THR A 47 20.954 -4.692 -37.502 1.00 22.25 N ATOM 712 CA THR A 47 20.047 -4.590 -36.366 1.00 31.44 C ATOM 713 C THR A 47 20.787 -4.805 -35.050 1.00 52.41 C ATOM 714 O THR A 47 21.942 -5.231 -35.038 1.00 12.41 O ATOM 715 CB THR A 47 18.900 -5.614 -36.469 1.00 42.40 C ATOM 716 OG1 THR A 47 19.432 -6.942 -36.519 1.00 61.14 O ATOM 717 CG2 THR A 47 18.053 -5.354 -37.706 1.00 1.24 C ATOM 0 H THR A 47 21.750 -5.312 -37.352 1.00 22.25 H new ATOM 0 HA THR A 47 19.629 -3.583 -36.385 1.00 31.44 H new ATOM 0 HB THR A 47 18.268 -5.510 -35.587 1.00 42.40 H new ATOM 0 HG1 THR A 47 18.696 -7.588 -36.562 1.00 61.14 H new ATOM 0 HG21 THR A 47 17.250 -6.089 -37.758 1.00 1.24 H new ATOM 0 HG22 THR A 47 17.626 -4.353 -37.651 1.00 1.24 H new ATOM 0 HG23 THR A 47 18.676 -5.434 -38.597 1.00 1.24 H new ATOM 725 N VAL A 48 20.114 -4.507 -33.943 1.00 20.22 N ATOM 726 CA VAL A 48 20.707 -4.669 -32.621 1.00 25.21 C ATOM 727 C VAL A 48 19.871 -5.603 -31.754 1.00 20.33 C ATOM 728 O VAL A 48 18.778 -5.245 -31.315 1.00 62.52 O ATOM 729 CB VAL A 48 20.856 -3.315 -31.903 1.00 13.15 C ATOM 730 CG1 VAL A 48 21.447 -3.508 -30.515 1.00 23.44 C ATOM 731 CG2 VAL A 48 21.711 -2.365 -32.728 1.00 32.32 C ATOM 0 H VAL A 48 19.158 -4.152 -33.936 1.00 20.22 H new ATOM 0 HA VAL A 48 21.696 -5.104 -32.769 1.00 25.21 H new ATOM 0 HB VAL A 48 19.866 -2.872 -31.792 1.00 13.15 H new ATOM 0 HG11 VAL A 48 21.545 -2.540 -30.023 1.00 23.44 H new ATOM 0 HG12 VAL A 48 20.791 -4.150 -29.926 1.00 23.44 H new ATOM 0 HG13 VAL A 48 22.429 -3.973 -30.599 1.00 23.44 H new ATOM 0 HG21 VAL A 48 21.805 -1.413 -32.205 1.00 32.32 H new ATOM 0 HG22 VAL A 48 22.700 -2.799 -32.873 1.00 32.32 H new ATOM 0 HG23 VAL A 48 21.241 -2.201 -33.698 1.00 32.32 H new ATOM 741 N GLN A 49 20.393 -6.801 -31.510 1.00 74.34 N ATOM 742 CA GLN A 49 19.693 -7.787 -30.695 1.00 71.22 C ATOM 743 C GLN A 49 19.690 -7.376 -29.227 1.00 11.24 C ATOM 744 O GLN A 49 20.654 -7.618 -28.502 1.00 1.32 O ATOM 745 CB GLN A 49 20.344 -9.163 -30.850 1.00 52.24 C ATOM 746 CG GLN A 49 19.826 -9.949 -32.044 1.00 23.42 C ATOM 747 CD GLN A 49 20.776 -11.050 -32.473 1.00 71.42 C ATOM 748 OE1 GLN A 49 21.953 -11.046 -32.112 1.00 61.51 O ATOM 749 NE2 GLN A 49 20.268 -12.001 -33.248 1.00 62.54 N ATOM 0 H GLN A 49 21.297 -7.112 -31.865 1.00 74.34 H new ATOM 0 HA GLN A 49 18.661 -7.840 -31.041 1.00 71.22 H new ATOM 0 HB2 GLN A 49 21.422 -9.037 -30.948 1.00 52.24 H new ATOM 0 HB3 GLN A 49 20.172 -9.742 -29.942 1.00 52.24 H new ATOM 0 HG2 GLN A 49 18.859 -10.385 -31.795 1.00 23.42 H new ATOM 0 HG3 GLN A 49 19.663 -9.268 -32.880 1.00 23.42 H new ATOM 0 HE21 GLN A 49 19.286 -11.965 -33.523 1.00 62.54 H new ATOM 0 HE22 GLN A 49 20.859 -12.768 -33.568 1.00 62.54 H new ATOM 758 N GLY A 50 18.598 -6.752 -28.794 1.00 5.41 N ATOM 759 CA GLY A 50 18.491 -6.316 -27.414 1.00 11.02 C ATOM 760 C GLY A 50 17.406 -7.055 -26.656 1.00 11.44 C ATOM 761 O GLY A 50 16.404 -7.470 -27.238 1.00 33.13 O ATOM 0 H GLY A 50 17.786 -6.541 -29.374 1.00 5.41 H new ATOM 0 HA2 GLY A 50 19.447 -6.467 -26.913 1.00 11.02 H new ATOM 0 HA3 GLY A 50 18.283 -5.246 -27.389 1.00 11.02 H new ATOM 765 N LYS A 51 17.605 -7.221 -25.353 1.00 3.25 N ATOM 766 CA LYS A 51 16.637 -7.915 -24.512 1.00 52.12 C ATOM 767 C LYS A 51 16.280 -7.078 -23.288 1.00 54.42 C ATOM 768 O LYS A 51 17.109 -6.326 -22.774 1.00 22.54 O ATOM 769 CB LYS A 51 17.192 -9.271 -24.071 1.00 45.22 C ATOM 770 CG LYS A 51 16.351 -9.957 -23.009 1.00 1.43 C ATOM 771 CD LYS A 51 16.457 -11.469 -23.104 1.00 72.42 C ATOM 772 CE LYS A 51 17.872 -11.948 -22.821 1.00 64.12 C ATOM 773 NZ LYS A 51 17.885 -13.284 -22.163 1.00 40.01 N ATOM 0 H LYS A 51 18.429 -6.884 -24.856 1.00 3.25 H new ATOM 0 HA LYS A 51 15.732 -8.073 -25.099 1.00 52.12 H new ATOM 0 HB2 LYS A 51 17.267 -9.924 -24.941 1.00 45.22 H new ATOM 0 HB3 LYS A 51 18.203 -9.133 -23.688 1.00 45.22 H new ATOM 0 HG2 LYS A 51 16.674 -9.630 -22.021 1.00 1.43 H new ATOM 0 HG3 LYS A 51 15.309 -9.657 -23.119 1.00 1.43 H new ATOM 0 HD2 LYS A 51 15.768 -11.928 -22.395 1.00 72.42 H new ATOM 0 HD3 LYS A 51 16.154 -11.794 -24.099 1.00 72.42 H new ATOM 0 HE2 LYS A 51 18.432 -11.998 -23.755 1.00 64.12 H new ATOM 0 HE3 LYS A 51 18.380 -11.224 -22.183 1.00 64.12 H new ATOM 0 HZ1 LYS A 51 18.130 -13.174 -21.158 1.00 40.01 H new ATOM 0 HZ2 LYS A 51 16.944 -13.720 -22.244 1.00 40.01 H new ATOM 0 HZ3 LYS A 51 18.590 -13.892 -22.626 1.00 40.01 H new ATOM 787 N LEU A 52 15.042 -7.212 -22.826 1.00 34.32 N ATOM 788 CA LEU A 52 14.575 -6.469 -21.660 1.00 60.14 C ATOM 789 C LEU A 52 14.180 -7.417 -20.532 1.00 42.24 C ATOM 790 O LEU A 52 13.025 -7.445 -20.109 1.00 1.21 O ATOM 791 CB LEU A 52 13.386 -5.584 -22.038 1.00 71.00 C ATOM 792 CG LEU A 52 13.452 -4.922 -23.415 1.00 21.40 C ATOM 793 CD1 LEU A 52 12.263 -3.997 -23.620 1.00 73.24 C ATOM 794 CD2 LEU A 52 14.758 -4.159 -23.578 1.00 4.15 C ATOM 0 H LEU A 52 14.343 -7.828 -23.241 1.00 34.32 H new ATOM 0 HA LEU A 52 15.393 -5.839 -21.310 1.00 60.14 H new ATOM 0 HB2 LEU A 52 12.480 -6.188 -21.991 1.00 71.00 H new ATOM 0 HB3 LEU A 52 13.287 -4.802 -21.285 1.00 71.00 H new ATOM 0 HG LEU A 52 13.414 -5.703 -24.174 1.00 21.40 H new ATOM 0 HD11 LEU A 52 12.327 -3.535 -24.605 1.00 73.24 H new ATOM 0 HD12 LEU A 52 11.339 -4.571 -23.548 1.00 73.24 H new ATOM 0 HD13 LEU A 52 12.269 -3.221 -22.854 1.00 73.24 H new ATOM 0 HD21 LEU A 52 14.787 -3.695 -24.564 1.00 4.15 H new ATOM 0 HD22 LEU A 52 14.827 -3.387 -22.811 1.00 4.15 H new ATOM 0 HD23 LEU A 52 15.597 -4.848 -23.476 1.00 4.15 H new ATOM 806 N GLN A 53 15.148 -8.190 -20.050 1.00 11.43 N ATOM 807 CA GLN A 53 14.901 -9.137 -18.969 1.00 72.35 C ATOM 808 C GLN A 53 14.551 -8.409 -17.676 1.00 25.12 C ATOM 809 O GLN A 53 15.252 -7.487 -17.262 1.00 44.41 O ATOM 810 CB GLN A 53 16.126 -10.027 -18.753 1.00 2.00 C ATOM 811 CG GLN A 53 16.160 -11.247 -19.660 1.00 2.25 C ATOM 812 CD GLN A 53 16.831 -12.440 -19.008 1.00 12.13 C ATOM 813 OE1 GLN A 53 18.056 -12.491 -18.891 1.00 14.13 O ATOM 814 NE2 GLN A 53 16.030 -13.408 -18.579 1.00 31.25 N ATOM 0 H GLN A 53 16.109 -8.179 -20.391 1.00 11.43 H new ATOM 0 HA GLN A 53 14.053 -9.761 -19.253 1.00 72.35 H new ATOM 0 HB2 GLN A 53 17.027 -9.437 -18.918 1.00 2.00 H new ATOM 0 HB3 GLN A 53 16.147 -10.356 -17.714 1.00 2.00 H new ATOM 0 HG2 GLN A 53 15.141 -11.516 -19.940 1.00 2.25 H new ATOM 0 HG3 GLN A 53 16.687 -10.996 -20.580 1.00 2.25 H new ATOM 0 HE21 GLN A 53 15.020 -13.324 -18.697 1.00 31.25 H new ATOM 0 HE22 GLN A 53 16.424 -14.236 -18.132 1.00 31.25 H new ATOM 823 N GLY A 54 13.462 -8.830 -17.041 1.00 32.42 N ATOM 824 CA GLY A 54 13.038 -8.207 -15.801 1.00 1.13 C ATOM 825 C GLY A 54 11.530 -8.093 -15.695 1.00 3.42 C ATOM 826 O GLY A 54 10.784 -8.717 -16.450 1.00 25.15 O ATOM 0 H GLY A 54 12.865 -9.592 -17.363 1.00 32.42 H new ATOM 0 HA2 GLY A 54 13.415 -8.787 -14.959 1.00 1.13 H new ATOM 0 HA3 GLY A 54 13.480 -7.214 -15.727 1.00 1.13 H new ATOM 830 N PRO A 55 11.060 -7.279 -14.737 1.00 64.24 N ATOM 831 CA PRO A 55 9.628 -7.067 -14.512 1.00 34.11 C ATOM 832 C PRO A 55 8.974 -6.277 -15.641 1.00 32.25 C ATOM 833 O PRO A 55 9.594 -5.393 -16.232 1.00 11.33 O ATOM 834 CB PRO A 55 9.588 -6.267 -13.207 1.00 65.52 C ATOM 835 CG PRO A 55 10.906 -5.575 -13.148 1.00 22.14 C ATOM 836 CD PRO A 55 11.892 -6.503 -13.802 1.00 32.53 C ATOM 0 HA PRO A 55 9.079 -8.008 -14.468 1.00 34.11 H new ATOM 0 HB2 PRO A 55 8.765 -5.552 -13.206 1.00 65.52 H new ATOM 0 HB3 PRO A 55 9.445 -6.920 -12.346 1.00 65.52 H new ATOM 0 HG2 PRO A 55 10.867 -4.618 -13.668 1.00 22.14 H new ATOM 0 HG3 PRO A 55 11.191 -5.367 -12.117 1.00 22.14 H new ATOM 0 HD2 PRO A 55 12.677 -5.954 -14.323 1.00 32.53 H new ATOM 0 HD3 PRO A 55 12.384 -7.146 -13.072 1.00 32.53 H new ATOM 844 N ILE A 56 7.719 -6.602 -15.934 1.00 2.20 N ATOM 845 CA ILE A 56 6.982 -5.921 -16.991 1.00 12.11 C ATOM 846 C ILE A 56 6.695 -4.471 -16.615 1.00 31.21 C ATOM 847 O ILE A 56 6.582 -3.605 -17.482 1.00 51.11 O ATOM 848 CB ILE A 56 5.651 -6.633 -17.298 1.00 0.15 C ATOM 849 CG1 ILE A 56 5.908 -8.080 -17.723 1.00 31.02 C ATOM 850 CG2 ILE A 56 4.887 -5.885 -18.380 1.00 1.32 C ATOM 851 CD1 ILE A 56 4.677 -8.957 -17.658 1.00 12.51 C ATOM 0 H ILE A 56 7.192 -7.332 -15.455 1.00 2.20 H new ATOM 0 HA ILE A 56 7.611 -5.945 -17.881 1.00 12.11 H new ATOM 0 HB ILE A 56 5.044 -6.642 -16.393 1.00 0.15 H new ATOM 0 HG12 ILE A 56 6.296 -8.087 -18.742 1.00 31.02 H new ATOM 0 HG13 ILE A 56 6.682 -8.506 -17.084 1.00 31.02 H new ATOM 0 HG21 ILE A 56 3.949 -6.401 -18.586 1.00 1.32 H new ATOM 0 HG22 ILE A 56 4.677 -4.870 -18.042 1.00 1.32 H new ATOM 0 HG23 ILE A 56 5.487 -5.847 -19.289 1.00 1.32 H new ATOM 0 HD11 ILE A 56 4.934 -9.968 -17.973 1.00 12.51 H new ATOM 0 HD12 ILE A 56 4.300 -8.980 -16.635 1.00 12.51 H new ATOM 0 HD13 ILE A 56 3.909 -8.555 -18.319 1.00 12.51 H new ATOM 863 N SER A 57 6.580 -4.214 -15.316 1.00 32.11 N ATOM 864 CA SER A 57 6.304 -2.869 -14.824 1.00 62.23 C ATOM 865 C SER A 57 7.290 -1.864 -15.411 1.00 51.45 C ATOM 866 O SER A 57 6.960 -0.694 -15.607 1.00 14.30 O ATOM 867 CB SER A 57 6.375 -2.837 -13.296 1.00 61.44 C ATOM 868 OG SER A 57 5.725 -1.689 -12.779 1.00 61.24 O ATOM 0 H SER A 57 6.674 -4.919 -14.585 1.00 32.11 H new ATOM 0 HA SER A 57 5.298 -2.593 -15.139 1.00 62.23 H new ATOM 0 HB2 SER A 57 5.912 -3.736 -12.888 1.00 61.44 H new ATOM 0 HB3 SER A 57 7.417 -2.843 -12.977 1.00 61.44 H new ATOM 0 HG SER A 57 5.230 -1.930 -11.968 1.00 61.24 H new ATOM 874 N LYS A 58 8.503 -2.328 -15.691 1.00 1.10 N ATOM 875 CA LYS A 58 9.539 -1.472 -16.257 1.00 52.01 C ATOM 876 C LYS A 58 9.664 -1.692 -17.761 1.00 41.43 C ATOM 877 O LYS A 58 9.862 -0.745 -18.523 1.00 14.42 O ATOM 878 CB LYS A 58 10.883 -1.745 -15.577 1.00 54.25 C ATOM 879 CG LYS A 58 11.212 -0.764 -14.465 1.00 71.23 C ATOM 880 CD LYS A 58 10.602 -1.196 -13.142 1.00 63.32 C ATOM 881 CE LYS A 58 10.763 -0.122 -12.077 1.00 71.14 C ATOM 882 NZ LYS A 58 10.206 -0.554 -10.766 1.00 12.14 N ATOM 0 H LYS A 58 8.793 -3.293 -15.535 1.00 1.10 H new ATOM 0 HA LYS A 58 9.254 -0.435 -16.082 1.00 52.01 H new ATOM 0 HB2 LYS A 58 10.875 -2.755 -15.168 1.00 54.25 H new ATOM 0 HB3 LYS A 58 11.674 -1.710 -16.327 1.00 54.25 H new ATOM 0 HG2 LYS A 58 12.294 -0.683 -14.359 1.00 71.23 H new ATOM 0 HG3 LYS A 58 10.842 0.226 -14.731 1.00 71.23 H new ATOM 0 HD2 LYS A 58 9.543 -1.415 -13.282 1.00 63.32 H new ATOM 0 HD3 LYS A 58 11.076 -2.118 -12.805 1.00 63.32 H new ATOM 0 HE2 LYS A 58 11.820 0.119 -11.961 1.00 71.14 H new ATOM 0 HE3 LYS A 58 10.262 0.790 -12.402 1.00 71.14 H new ATOM 0 HZ1 LYS A 58 10.335 0.205 -10.067 1.00 12.14 H new ATOM 0 HZ2 LYS A 58 9.192 -0.760 -10.871 1.00 12.14 H new ATOM 0 HZ3 LYS A 58 10.701 -1.410 -10.443 1.00 12.14 H new ATOM 896 N VAL A 59 9.547 -2.947 -18.183 1.00 54.45 N ATOM 897 CA VAL A 59 9.644 -3.290 -19.597 1.00 40.11 C ATOM 898 C VAL A 59 8.710 -2.427 -20.438 1.00 32.11 C ATOM 899 O VAL A 59 9.004 -2.120 -21.593 1.00 52.22 O ATOM 900 CB VAL A 59 9.310 -4.774 -19.838 1.00 64.15 C ATOM 901 CG1 VAL A 59 9.379 -5.103 -21.322 1.00 41.41 C ATOM 902 CG2 VAL A 59 10.250 -5.667 -19.042 1.00 72.22 C ATOM 0 H VAL A 59 9.385 -3.743 -17.566 1.00 54.45 H new ATOM 0 HA VAL A 59 10.675 -3.103 -19.898 1.00 40.11 H new ATOM 0 HB VAL A 59 8.292 -4.960 -19.496 1.00 64.15 H new ATOM 0 HG11 VAL A 59 9.140 -6.156 -21.473 1.00 41.41 H new ATOM 0 HG12 VAL A 59 8.662 -4.487 -21.865 1.00 41.41 H new ATOM 0 HG13 VAL A 59 10.384 -4.902 -21.693 1.00 41.41 H new ATOM 0 HG21 VAL A 59 10.000 -6.712 -19.224 1.00 72.22 H new ATOM 0 HG22 VAL A 59 11.278 -5.481 -19.352 1.00 72.22 H new ATOM 0 HG23 VAL A 59 10.146 -5.449 -17.979 1.00 72.22 H new ATOM 912 N ARG A 60 7.583 -2.039 -19.850 1.00 52.11 N ATOM 913 CA ARG A 60 6.604 -1.211 -20.545 1.00 63.54 C ATOM 914 C ARG A 60 7.250 0.065 -21.076 1.00 25.01 C ATOM 915 O ARG A 60 6.843 0.595 -22.109 1.00 60.41 O ATOM 916 CB ARG A 60 5.446 -0.859 -19.610 1.00 43.10 C ATOM 917 CG ARG A 60 4.536 -2.035 -19.298 1.00 75.12 C ATOM 918 CD ARG A 60 3.521 -2.264 -20.408 1.00 4.01 C ATOM 919 NE ARG A 60 2.524 -1.199 -20.466 1.00 51.21 N ATOM 920 CZ ARG A 60 1.531 -1.169 -21.348 1.00 30.20 C ATOM 921 NH1 ARG A 60 1.403 -2.141 -22.241 1.00 25.34 N ATOM 922 NH2 ARG A 60 0.663 -0.166 -21.338 1.00 14.02 N ATOM 0 H ARG A 60 7.325 -2.285 -18.894 1.00 52.11 H new ATOM 0 HA ARG A 60 6.218 -1.781 -21.390 1.00 63.54 H new ATOM 0 HB2 ARG A 60 5.850 -0.466 -18.677 1.00 43.10 H new ATOM 0 HB3 ARG A 60 4.855 -0.063 -20.062 1.00 43.10 H new ATOM 0 HG2 ARG A 60 5.136 -2.935 -19.161 1.00 75.12 H new ATOM 0 HG3 ARG A 60 4.014 -1.854 -18.358 1.00 75.12 H new ATOM 0 HD2 ARG A 60 4.039 -2.328 -21.365 1.00 4.01 H new ATOM 0 HD3 ARG A 60 3.022 -3.220 -20.251 1.00 4.01 H new ATOM 0 HE ARG A 60 2.594 -0.436 -19.792 1.00 51.21 H new ATOM 0 HH11 ARG A 60 2.068 -2.914 -22.252 1.00 25.34 H new ATOM 0 HH12 ARG A 60 0.640 -2.115 -22.917 1.00 25.34 H new ATOM 0 HH21 ARG A 60 0.758 0.583 -20.653 1.00 14.02 H new ATOM 0 HH22 ARG A 60 -0.099 -0.144 -22.016 1.00 14.02 H new ATOM 936 N GLU A 61 8.259 0.553 -20.361 1.00 22.14 N ATOM 937 CA GLU A 61 8.960 1.768 -20.759 1.00 61.14 C ATOM 938 C GLU A 61 10.249 1.433 -21.504 1.00 62.22 C ATOM 939 O GLU A 61 10.806 2.272 -22.210 1.00 44.55 O ATOM 940 CB GLU A 61 9.275 2.627 -19.533 1.00 42.23 C ATOM 941 CG GLU A 61 8.120 2.734 -18.552 1.00 40.50 C ATOM 942 CD GLU A 61 6.926 3.465 -19.134 1.00 53.15 C ATOM 943 OE1 GLU A 61 6.352 2.969 -20.127 1.00 4.52 O ATOM 944 OE2 GLU A 61 6.565 4.533 -18.597 1.00 15.01 O ATOM 0 H GLU A 61 8.609 0.126 -19.504 1.00 22.14 H new ATOM 0 HA GLU A 61 8.309 2.329 -21.429 1.00 61.14 H new ATOM 0 HB2 GLU A 61 10.140 2.208 -19.019 1.00 42.23 H new ATOM 0 HB3 GLU A 61 9.554 3.628 -19.863 1.00 42.23 H new ATOM 0 HG2 GLU A 61 7.815 1.734 -18.246 1.00 40.50 H new ATOM 0 HG3 GLU A 61 8.457 3.253 -17.655 1.00 40.50 H new ATOM 951 N MET A 62 10.717 0.200 -21.340 1.00 21.23 N ATOM 952 CA MET A 62 11.940 -0.247 -21.997 1.00 1.13 C ATOM 953 C MET A 62 11.677 -0.589 -23.460 1.00 5.02 C ATOM 954 O MET A 62 12.608 -0.846 -24.222 1.00 65.43 O ATOM 955 CB MET A 62 12.518 -1.464 -21.272 1.00 43.01 C ATOM 956 CG MET A 62 13.979 -1.729 -21.600 1.00 33.22 C ATOM 957 SD MET A 62 15.106 -0.742 -20.597 1.00 30.35 S ATOM 958 CE MET A 62 15.222 0.748 -21.584 1.00 33.33 C ATOM 0 H MET A 62 10.268 -0.507 -20.758 1.00 21.23 H new ATOM 0 HA MET A 62 12.663 0.568 -21.957 1.00 1.13 H new ATOM 0 HB2 MET A 62 12.416 -1.318 -20.197 1.00 43.01 H new ATOM 0 HB3 MET A 62 11.930 -2.344 -21.532 1.00 43.01 H new ATOM 0 HG2 MET A 62 14.195 -2.787 -21.448 1.00 33.22 H new ATOM 0 HG3 MET A 62 14.155 -1.515 -22.654 1.00 33.22 H new ATOM 0 HE1 MET A 62 16.267 1.048 -21.669 1.00 33.33 H new ATOM 0 HE2 MET A 62 14.817 0.558 -22.578 1.00 33.33 H new ATOM 0 HE3 MET A 62 14.653 1.546 -21.106 1.00 33.33 H new ATOM 968 N GLN A 63 10.405 -0.590 -23.844 1.00 10.24 N ATOM 969 CA GLN A 63 10.022 -0.901 -25.215 1.00 75.54 C ATOM 970 C GLN A 63 9.818 0.374 -26.027 1.00 21.31 C ATOM 971 O GLN A 63 9.951 0.371 -27.251 1.00 11.51 O ATOM 972 CB GLN A 63 8.742 -1.740 -25.232 1.00 23.03 C ATOM 973 CG GLN A 63 7.581 -1.092 -24.495 1.00 71.42 C ATOM 974 CD GLN A 63 6.232 -1.529 -25.033 1.00 44.11 C ATOM 975 OE1 GLN A 63 6.113 -2.579 -25.664 1.00 64.43 O ATOM 976 NE2 GLN A 63 5.207 -0.723 -24.786 1.00 12.54 N ATOM 0 H GLN A 63 9.622 -0.379 -23.225 1.00 10.24 H new ATOM 0 HA GLN A 63 10.830 -1.474 -25.669 1.00 75.54 H new ATOM 0 HB2 GLN A 63 8.450 -1.921 -26.266 1.00 23.03 H new ATOM 0 HB3 GLN A 63 8.949 -2.712 -24.785 1.00 23.03 H new ATOM 0 HG2 GLN A 63 7.644 -1.341 -23.436 1.00 71.42 H new ATOM 0 HG3 GLN A 63 7.665 -0.008 -24.573 1.00 71.42 H new ATOM 0 HE21 GLN A 63 5.351 0.138 -24.259 1.00 12.54 H new ATOM 0 HE22 GLN A 63 4.275 -0.965 -25.124 1.00 12.54 H new ATOM 985 N LYS A 64 9.495 1.462 -25.337 1.00 53.54 N ATOM 986 CA LYS A 64 9.273 2.746 -25.993 1.00 4.02 C ATOM 987 C LYS A 64 10.572 3.541 -26.085 1.00 31.11 C ATOM 988 O LYS A 64 10.708 4.429 -26.926 1.00 43.13 O ATOM 989 CB LYS A 64 8.220 3.555 -25.232 1.00 44.44 C ATOM 990 CG LYS A 64 8.615 3.874 -23.801 1.00 21.13 C ATOM 991 CD LYS A 64 8.446 5.352 -23.491 1.00 62.04 C ATOM 992 CE LYS A 64 6.987 5.708 -23.251 1.00 61.12 C ATOM 993 NZ LYS A 64 6.843 6.841 -22.296 1.00 54.42 N ATOM 0 H LYS A 64 9.381 1.481 -24.324 1.00 53.54 H new ATOM 0 HA LYS A 64 8.913 2.553 -27.004 1.00 4.02 H new ATOM 0 HB2 LYS A 64 8.035 4.487 -25.765 1.00 44.44 H new ATOM 0 HB3 LYS A 64 7.282 3.000 -25.226 1.00 44.44 H new ATOM 0 HG2 LYS A 64 8.006 3.286 -23.115 1.00 21.13 H new ATOM 0 HG3 LYS A 64 9.652 3.583 -23.636 1.00 21.13 H new ATOM 0 HD2 LYS A 64 9.034 5.610 -22.610 1.00 62.04 H new ATOM 0 HD3 LYS A 64 8.835 5.945 -24.319 1.00 62.04 H new ATOM 0 HE2 LYS A 64 6.516 5.970 -24.199 1.00 61.12 H new ATOM 0 HE3 LYS A 64 6.460 4.837 -22.863 1.00 61.12 H new ATOM 0 HZ1 LYS A 64 5.834 7.053 -22.159 1.00 54.42 H new ATOM 0 HZ2 LYS A 64 7.270 6.582 -21.384 1.00 54.42 H new ATOM 0 HZ3 LYS A 64 7.325 7.680 -22.678 1.00 54.42 H new ATOM 1007 N TRP A 65 11.522 3.215 -25.216 1.00 43.15 N ATOM 1008 CA TRP A 65 12.811 3.898 -25.202 1.00 12.44 C ATOM 1009 C TRP A 65 13.691 3.426 -26.353 1.00 70.33 C ATOM 1010 O TRP A 65 14.582 4.147 -26.803 1.00 42.22 O ATOM 1011 CB TRP A 65 13.522 3.660 -23.869 1.00 1.34 C ATOM 1012 CG TRP A 65 13.413 4.817 -22.922 1.00 12.10 C ATOM 1013 CD1 TRP A 65 12.628 4.892 -21.807 1.00 12.30 C ATOM 1014 CD2 TRP A 65 14.110 6.064 -23.009 1.00 42.50 C ATOM 1015 NE1 TRP A 65 12.795 6.111 -21.196 1.00 2.44 N ATOM 1016 CE2 TRP A 65 13.700 6.848 -21.913 1.00 0.42 C ATOM 1017 CE3 TRP A 65 15.043 6.595 -23.905 1.00 35.33 C ATOM 1018 CZ2 TRP A 65 14.190 8.133 -21.692 1.00 20.32 C ATOM 1019 CZ3 TRP A 65 15.528 7.870 -23.684 1.00 74.31 C ATOM 1020 CH2 TRP A 65 15.102 8.627 -22.585 1.00 33.13 C ATOM 0 H TRP A 65 11.424 2.483 -24.513 1.00 43.15 H new ATOM 0 HA TRP A 65 12.629 4.966 -25.324 1.00 12.44 H new ATOM 0 HB2 TRP A 65 13.103 2.772 -23.396 1.00 1.34 H new ATOM 0 HB3 TRP A 65 14.575 3.453 -24.059 1.00 1.34 H new ATOM 0 HD1 TRP A 65 11.972 4.108 -21.457 1.00 12.30 H new ATOM 0 HE1 TRP A 65 12.322 6.418 -20.346 1.00 2.44 H new ATOM 0 HE3 TRP A 65 15.379 6.019 -24.755 1.00 35.33 H new ATOM 0 HZ2 TRP A 65 13.862 8.719 -20.846 1.00 20.32 H new ATOM 0 HZ3 TRP A 65 16.248 8.290 -24.371 1.00 74.31 H new ATOM 0 HH2 TRP A 65 15.501 9.620 -22.440 1.00 33.13 H new ATOM 1031 N LEU A 66 13.436 2.211 -26.827 1.00 2.02 N ATOM 1032 CA LEU A 66 14.206 1.642 -27.928 1.00 1.04 C ATOM 1033 C LEU A 66 13.367 1.570 -29.199 1.00 53.22 C ATOM 1034 O LEU A 66 13.733 0.891 -30.158 1.00 33.03 O ATOM 1035 CB LEU A 66 14.710 0.246 -27.556 1.00 13.32 C ATOM 1036 CG LEU A 66 16.114 0.178 -26.955 1.00 21.51 C ATOM 1037 CD1 LEU A 66 16.224 -0.990 -25.987 1.00 61.52 C ATOM 1038 CD2 LEU A 66 17.160 0.062 -28.055 1.00 34.34 C ATOM 0 H LEU A 66 12.702 1.601 -26.466 1.00 2.02 H new ATOM 0 HA LEU A 66 15.061 2.292 -28.115 1.00 1.04 H new ATOM 0 HB2 LEU A 66 14.010 -0.194 -26.845 1.00 13.32 H new ATOM 0 HB3 LEU A 66 14.689 -0.377 -28.451 1.00 13.32 H new ATOM 0 HG LEU A 66 16.297 1.100 -26.403 1.00 21.51 H new ATOM 0 HD11 LEU A 66 17.230 -1.023 -25.569 1.00 61.52 H new ATOM 0 HD12 LEU A 66 15.500 -0.864 -25.182 1.00 61.52 H new ATOM 0 HD13 LEU A 66 16.020 -1.921 -26.516 1.00 61.52 H new ATOM 0 HD21 LEU A 66 18.153 0.015 -27.609 1.00 34.34 H new ATOM 0 HD22 LEU A 66 16.979 -0.843 -28.635 1.00 34.34 H new ATOM 0 HD23 LEU A 66 17.097 0.931 -28.710 1.00 34.34 H new ATOM 1050 N GLU A 67 12.241 2.277 -29.200 1.00 11.22 N ATOM 1051 CA GLU A 67 11.351 2.294 -30.355 1.00 32.13 C ATOM 1052 C GLU A 67 11.427 3.634 -31.081 1.00 63.32 C ATOM 1053 O GLU A 67 11.750 3.693 -32.268 1.00 71.53 O ATOM 1054 CB GLU A 67 9.910 2.019 -29.920 1.00 71.40 C ATOM 1055 CG GLU A 67 8.893 2.202 -31.034 1.00 34.03 C ATOM 1056 CD GLU A 67 7.674 1.315 -30.863 1.00 4.31 C ATOM 1057 OE1 GLU A 67 7.807 0.085 -31.029 1.00 43.03 O ATOM 1058 OE2 GLU A 67 6.588 1.853 -30.562 1.00 73.33 O ATOM 0 H GLU A 67 11.924 2.845 -28.414 1.00 11.22 H new ATOM 0 HA GLU A 67 11.672 1.510 -31.041 1.00 32.13 H new ATOM 0 HB2 GLU A 67 9.842 0.999 -29.541 1.00 71.40 H new ATOM 0 HB3 GLU A 67 9.655 2.683 -29.094 1.00 71.40 H new ATOM 0 HG2 GLU A 67 8.577 3.245 -31.065 1.00 34.03 H new ATOM 0 HG3 GLU A 67 9.365 1.983 -31.992 1.00 34.03 H new ATOM 1065 N THR A 68 11.128 4.709 -30.360 1.00 14.53 N ATOM 1066 CA THR A 68 11.160 6.048 -30.934 1.00 43.53 C ATOM 1067 C THR A 68 12.331 6.854 -30.384 1.00 2.50 C ATOM 1068 O THR A 68 12.825 7.775 -31.036 1.00 73.43 O ATOM 1069 CB THR A 68 9.851 6.811 -30.656 1.00 41.13 C ATOM 1070 OG1 THR A 68 10.000 8.188 -31.019 1.00 50.31 O ATOM 1071 CG2 THR A 68 9.465 6.707 -29.188 1.00 64.15 C ATOM 0 H THR A 68 10.861 4.679 -29.376 1.00 14.53 H new ATOM 0 HA THR A 68 11.279 5.927 -32.011 1.00 43.53 H new ATOM 0 HB THR A 68 9.060 6.361 -31.256 1.00 41.13 H new ATOM 0 HG1 THR A 68 9.163 8.666 -30.841 1.00 50.31 H new ATOM 0 HG21 THR A 68 8.538 7.253 -29.016 1.00 64.15 H new ATOM 0 HG22 THR A 68 9.323 5.659 -28.922 1.00 64.15 H new ATOM 0 HG23 THR A 68 10.257 7.134 -28.572 1.00 64.15 H new ATOM 1079 N ARG A 69 12.772 6.503 -29.181 1.00 20.15 N ATOM 1080 CA ARG A 69 13.886 7.195 -28.543 1.00 35.35 C ATOM 1081 C ARG A 69 15.221 6.645 -29.035 1.00 20.11 C ATOM 1082 O ARG A 69 15.262 5.720 -29.846 1.00 5.45 O ATOM 1083 CB ARG A 69 13.795 7.057 -27.022 1.00 11.44 C ATOM 1084 CG ARG A 69 12.951 8.136 -26.362 1.00 73.30 C ATOM 1085 CD ARG A 69 11.547 8.179 -26.945 1.00 61.14 C ATOM 1086 NE ARG A 69 10.682 9.106 -26.221 1.00 35.42 N ATOM 1087 CZ ARG A 69 10.712 10.423 -26.388 1.00 75.05 C ATOM 1088 NH1 ARG A 69 11.559 10.966 -27.252 1.00 30.42 N ATOM 1089 NH2 ARG A 69 9.892 11.200 -25.692 1.00 42.51 N ATOM 0 H ARG A 69 12.375 5.743 -28.628 1.00 20.15 H new ATOM 0 HA ARG A 69 13.827 8.250 -28.810 1.00 35.35 H new ATOM 0 HB2 ARG A 69 13.376 6.080 -26.779 1.00 11.44 H new ATOM 0 HB3 ARG A 69 14.800 7.086 -26.602 1.00 11.44 H new ATOM 0 HG2 ARG A 69 12.895 7.951 -25.289 1.00 73.30 H new ATOM 0 HG3 ARG A 69 13.431 9.106 -26.493 1.00 73.30 H new ATOM 0 HD2 ARG A 69 11.599 8.475 -27.993 1.00 61.14 H new ATOM 0 HD3 ARG A 69 11.112 7.180 -26.917 1.00 61.14 H new ATOM 0 HE ARG A 69 10.018 8.721 -25.550 1.00 35.42 H new ATOM 0 HH11 ARG A 69 12.189 10.372 -27.790 1.00 30.42 H new ATOM 0 HH12 ARG A 69 11.580 11.978 -27.378 1.00 30.42 H new ATOM 0 HH21 ARG A 69 9.238 10.786 -25.028 1.00 42.51 H new ATOM 0 HH22 ARG A 69 9.916 12.212 -25.821 1.00 42.51 H new ATOM 1103 N GLY A 70 16.312 7.221 -28.539 1.00 12.32 N ATOM 1104 CA GLY A 70 17.634 6.777 -28.940 1.00 74.40 C ATOM 1105 C GLY A 70 18.618 7.923 -29.065 1.00 31.42 C ATOM 1106 O GLY A 70 18.221 9.086 -29.133 1.00 22.14 O ATOM 0 H GLY A 70 16.304 7.988 -27.866 1.00 12.32 H new ATOM 0 HA2 GLY A 70 18.009 6.058 -28.211 1.00 74.40 H new ATOM 0 HA3 GLY A 70 17.565 6.256 -29.895 1.00 74.40 H new ATOM 1110 N SER A 71 19.906 7.594 -29.094 1.00 14.35 N ATOM 1111 CA SER A 71 20.950 8.606 -29.205 1.00 60.32 C ATOM 1112 C SER A 71 20.810 9.390 -30.506 1.00 70.25 C ATOM 1113 O SER A 71 20.151 8.959 -31.453 1.00 31.11 O ATOM 1114 CB SER A 71 22.332 7.952 -29.136 1.00 54.25 C ATOM 1115 OG SER A 71 22.791 7.870 -27.798 1.00 40.44 O ATOM 0 H SER A 71 20.251 6.636 -29.042 1.00 14.35 H new ATOM 0 HA SER A 71 20.841 9.299 -28.370 1.00 60.32 H new ATOM 0 HB2 SER A 71 22.287 6.953 -29.570 1.00 54.25 H new ATOM 0 HB3 SER A 71 23.040 8.527 -29.732 1.00 54.25 H new ATOM 0 HG SER A 71 23.675 7.447 -27.781 1.00 40.44 H new ATOM 1121 N PRO A 72 21.445 10.570 -30.556 1.00 52.32 N ATOM 1122 CA PRO A 72 21.407 11.440 -31.735 1.00 42.34 C ATOM 1123 C PRO A 72 22.189 10.860 -32.909 1.00 74.22 C ATOM 1124 O PRO A 72 21.986 11.255 -34.057 1.00 31.23 O ATOM 1125 CB PRO A 72 22.063 12.733 -31.243 1.00 40.05 C ATOM 1126 CG PRO A 72 22.945 12.307 -30.121 1.00 14.14 C ATOM 1127 CD PRO A 72 22.249 11.146 -29.465 1.00 53.41 C ATOM 0 HA PRO A 72 20.392 11.576 -32.109 1.00 42.34 H new ATOM 0 HB2 PRO A 72 22.636 13.213 -32.036 1.00 40.05 H new ATOM 0 HB3 PRO A 72 21.316 13.453 -30.908 1.00 40.05 H new ATOM 0 HG2 PRO A 72 23.929 12.016 -30.487 1.00 14.14 H new ATOM 0 HG3 PRO A 72 23.097 13.122 -29.413 1.00 14.14 H new ATOM 0 HD2 PRO A 72 22.961 10.424 -29.066 1.00 53.41 H new ATOM 0 HD3 PRO A 72 21.624 11.470 -28.633 1.00 53.41 H new ATOM 1135 N GLU A 73 23.081 9.920 -32.613 1.00 44.33 N ATOM 1136 CA GLU A 73 23.893 9.286 -33.646 1.00 11.43 C ATOM 1137 C GLU A 73 23.050 8.342 -34.497 1.00 35.41 C ATOM 1138 O GLU A 73 22.825 8.589 -35.682 1.00 1.54 O ATOM 1139 CB GLU A 73 25.056 8.519 -33.012 1.00 54.43 C ATOM 1140 CG GLU A 73 26.220 8.288 -33.960 1.00 45.41 C ATOM 1141 CD GLU A 73 26.926 9.575 -34.342 1.00 54.24 C ATOM 1142 OE1 GLU A 73 27.610 10.156 -33.474 1.00 41.32 O ATOM 1143 OE2 GLU A 73 26.793 10.001 -35.509 1.00 0.34 O ATOM 0 H GLU A 73 23.260 9.581 -31.668 1.00 44.33 H new ATOM 0 HA GLU A 73 24.292 10.069 -34.291 1.00 11.43 H new ATOM 0 HB2 GLU A 73 25.411 9.069 -32.141 1.00 54.43 H new ATOM 0 HB3 GLU A 73 24.693 7.556 -32.654 1.00 54.43 H new ATOM 0 HG2 GLU A 73 26.935 7.611 -33.493 1.00 45.41 H new ATOM 0 HG3 GLU A 73 25.857 7.796 -34.862 1.00 45.41 H new ATOM 1150 N SER A 74 22.586 7.257 -33.884 1.00 14.20 N ATOM 1151 CA SER A 74 21.771 6.272 -34.586 1.00 12.24 C ATOM 1152 C SER A 74 20.368 6.813 -34.845 1.00 11.12 C ATOM 1153 O SER A 74 20.019 7.906 -34.397 1.00 51.02 O ATOM 1154 CB SER A 74 21.689 4.977 -33.776 1.00 34.04 C ATOM 1155 OG SER A 74 20.595 5.007 -32.875 1.00 0.21 O ATOM 0 H SER A 74 22.761 7.038 -32.903 1.00 14.20 H new ATOM 0 HA SER A 74 22.244 6.063 -35.546 1.00 12.24 H new ATOM 0 HB2 SER A 74 21.585 4.128 -34.451 1.00 34.04 H new ATOM 0 HB3 SER A 74 22.616 4.832 -33.222 1.00 34.04 H new ATOM 0 HG SER A 74 20.843 4.552 -32.043 1.00 0.21 H new ATOM 1161 N HIS A 75 19.567 6.040 -35.571 1.00 61.31 N ATOM 1162 CA HIS A 75 18.201 6.440 -35.890 1.00 63.24 C ATOM 1163 C HIS A 75 17.300 5.219 -36.045 1.00 74.21 C ATOM 1164 O HIS A 75 17.587 4.319 -36.835 1.00 42.34 O ATOM 1165 CB HIS A 75 18.178 7.272 -37.173 1.00 73.51 C ATOM 1166 CG HIS A 75 17.024 8.224 -37.248 1.00 43.02 C ATOM 1167 ND1 HIS A 75 16.025 8.122 -38.193 1.00 14.45 N ATOM 1168 CD2 HIS A 75 16.714 9.300 -36.488 1.00 51.22 C ATOM 1169 CE1 HIS A 75 15.150 9.096 -38.011 1.00 61.22 C ATOM 1170 NE2 HIS A 75 15.545 9.825 -36.983 1.00 21.52 N ATOM 0 H HIS A 75 19.840 5.133 -35.950 1.00 61.31 H new ATOM 0 HA HIS A 75 17.824 7.046 -35.066 1.00 63.24 H new ATOM 0 HB2 HIS A 75 19.108 7.835 -37.248 1.00 73.51 H new ATOM 0 HB3 HIS A 75 18.141 6.601 -38.031 1.00 73.51 H new ATOM 0 HD2 HIS A 75 17.280 9.676 -35.649 1.00 51.22 H new ATOM 0 HE1 HIS A 75 14.263 9.267 -38.603 1.00 61.22 H new ATOM 0 HE2 HIS A 75 15.061 10.644 -36.616 1.00 21.52 H new ATOM 1178 N ILE A 76 16.210 5.194 -35.286 1.00 13.25 N ATOM 1179 CA ILE A 76 15.267 4.084 -35.339 1.00 53.01 C ATOM 1180 C ILE A 76 14.019 4.460 -36.131 1.00 63.05 C ATOM 1181 O ILE A 76 13.188 5.240 -35.667 1.00 11.02 O ATOM 1182 CB ILE A 76 14.848 3.633 -33.927 1.00 72.45 C ATOM 1183 CG1 ILE A 76 16.073 3.185 -33.127 1.00 14.10 C ATOM 1184 CG2 ILE A 76 13.825 2.510 -34.012 1.00 74.13 C ATOM 1185 CD1 ILE A 76 15.946 3.433 -31.640 1.00 61.51 C ATOM 0 H ILE A 76 15.958 5.930 -34.627 1.00 13.25 H new ATOM 0 HA ILE A 76 15.777 3.260 -35.838 1.00 53.01 H new ATOM 0 HB ILE A 76 14.390 4.478 -33.412 1.00 72.45 H new ATOM 0 HG12 ILE A 76 16.239 2.121 -33.297 1.00 14.10 H new ATOM 0 HG13 ILE A 76 16.953 3.709 -33.501 1.00 14.10 H new ATOM 0 HG21 ILE A 76 13.539 2.202 -33.006 1.00 74.13 H new ATOM 0 HG22 ILE A 76 12.944 2.861 -34.549 1.00 74.13 H new ATOM 0 HG23 ILE A 76 14.259 1.662 -34.542 1.00 74.13 H new ATOM 0 HD11 ILE A 76 16.850 3.091 -31.136 1.00 61.51 H new ATOM 0 HD12 ILE A 76 15.811 4.499 -31.459 1.00 61.51 H new ATOM 0 HD13 ILE A 76 15.086 2.887 -31.252 1.00 61.51 H new ATOM 1197 N ASP A 77 13.895 3.899 -37.329 1.00 74.11 N ATOM 1198 CA ASP A 77 12.747 4.173 -38.186 1.00 32.41 C ATOM 1199 C ASP A 77 11.583 3.246 -37.847 1.00 52.52 C ATOM 1200 O ASP A 77 10.420 3.585 -38.072 1.00 24.34 O ATOM 1201 CB ASP A 77 13.132 4.011 -39.657 1.00 53.13 C ATOM 1202 CG ASP A 77 12.187 4.747 -40.587 1.00 73.40 C ATOM 1203 OD1 ASP A 77 11.877 5.924 -40.308 1.00 20.41 O ATOM 1204 OD2 ASP A 77 11.756 4.145 -41.593 1.00 70.04 O ATOM 0 H ASP A 77 14.575 3.252 -37.729 1.00 74.11 H new ATOM 0 HA ASP A 77 12.432 5.202 -38.012 1.00 32.41 H new ATOM 0 HB2 ASP A 77 14.146 4.381 -39.807 1.00 53.13 H new ATOM 0 HB3 ASP A 77 13.138 2.952 -39.914 1.00 53.13 H new ATOM 1209 N LYS A 78 11.903 2.076 -37.307 1.00 31.34 N ATOM 1210 CA LYS A 78 10.885 1.100 -36.936 1.00 61.42 C ATOM 1211 C LYS A 78 11.453 0.059 -35.976 1.00 52.11 C ATOM 1212 O LYS A 78 12.657 -0.195 -35.963 1.00 33.21 O ATOM 1213 CB LYS A 78 10.333 0.409 -38.185 1.00 70.13 C ATOM 1214 CG LYS A 78 11.409 -0.036 -39.160 1.00 64.21 C ATOM 1215 CD LYS A 78 10.947 -1.213 -40.002 1.00 71.42 C ATOM 1216 CE LYS A 78 11.777 -1.353 -41.269 1.00 24.22 C ATOM 1217 NZ LYS A 78 11.542 -2.659 -41.945 1.00 25.12 N ATOM 0 H LYS A 78 12.860 1.780 -37.116 1.00 31.34 H new ATOM 0 HA LYS A 78 10.076 1.630 -36.433 1.00 61.42 H new ATOM 0 HB2 LYS A 78 9.748 -0.459 -37.881 1.00 70.13 H new ATOM 0 HB3 LYS A 78 9.651 1.090 -38.695 1.00 70.13 H new ATOM 0 HG2 LYS A 78 11.677 0.796 -39.812 1.00 64.21 H new ATOM 0 HG3 LYS A 78 12.308 -0.312 -38.609 1.00 64.21 H new ATOM 0 HD2 LYS A 78 11.017 -2.130 -39.417 1.00 71.42 H new ATOM 0 HD3 LYS A 78 9.897 -1.083 -40.266 1.00 71.42 H new ATOM 0 HE2 LYS A 78 11.534 -0.541 -41.954 1.00 24.22 H new ATOM 0 HE3 LYS A 78 12.834 -1.257 -41.023 1.00 24.22 H new ATOM 0 HZ1 LYS A 78 12.126 -2.715 -42.804 1.00 25.12 H new ATOM 0 HZ2 LYS A 78 11.798 -3.434 -41.301 1.00 25.12 H new ATOM 0 HZ3 LYS A 78 10.538 -2.741 -42.203 1.00 25.12 H new ATOM 1231 N ALA A 79 10.578 -0.540 -35.175 1.00 72.22 N ATOM 1232 CA ALA A 79 10.992 -1.555 -34.215 1.00 30.42 C ATOM 1233 C ALA A 79 9.822 -2.453 -33.826 1.00 63.45 C ATOM 1234 O ALA A 79 8.679 -2.196 -34.200 1.00 40.53 O ATOM 1235 CB ALA A 79 11.590 -0.900 -32.979 1.00 13.13 C ATOM 0 H ALA A 79 9.578 -0.340 -35.172 1.00 72.22 H new ATOM 0 HA ALA A 79 11.752 -2.177 -34.687 1.00 30.42 H new ATOM 0 HB1 ALA A 79 11.895 -1.670 -32.270 1.00 13.13 H new ATOM 0 HB2 ALA A 79 12.458 -0.307 -33.266 1.00 13.13 H new ATOM 0 HB3 ALA A 79 10.846 -0.253 -32.514 1.00 13.13 H new ATOM 1241 N ASN A 80 10.117 -3.509 -33.075 1.00 31.14 N ATOM 1242 CA ASN A 80 9.089 -4.446 -32.637 1.00 31.32 C ATOM 1243 C ASN A 80 9.676 -5.499 -31.701 1.00 75.12 C ATOM 1244 O ASN A 80 10.888 -5.553 -31.492 1.00 73.45 O ATOM 1245 CB ASN A 80 8.441 -5.126 -33.845 1.00 11.22 C ATOM 1246 CG ASN A 80 7.017 -5.567 -33.565 1.00 41.23 C ATOM 1247 OD1 ASN A 80 6.701 -6.755 -33.622 1.00 61.31 O ATOM 1248 ND2 ASN A 80 6.150 -4.608 -33.261 1.00 72.25 N ATOM 0 H ASN A 80 11.059 -3.737 -32.757 1.00 31.14 H new ATOM 0 HA ASN A 80 8.329 -3.885 -32.093 1.00 31.32 H new ATOM 0 HB2 ASN A 80 8.446 -4.439 -34.691 1.00 11.22 H new ATOM 0 HB3 ASN A 80 9.037 -5.992 -34.134 1.00 11.22 H new ATOM 0 HD21 ASN A 80 5.178 -4.844 -33.063 1.00 72.25 H new ATOM 0 HD22 ASN A 80 6.457 -3.636 -33.225 1.00 72.25 H new ATOM 1255 N PHE A 81 8.807 -6.334 -31.141 1.00 22.34 N ATOM 1256 CA PHE A 81 9.238 -7.386 -30.227 1.00 4.33 C ATOM 1257 C PHE A 81 9.097 -8.760 -30.874 1.00 35.44 C ATOM 1258 O PHE A 81 8.473 -8.903 -31.926 1.00 24.22 O ATOM 1259 CB PHE A 81 8.424 -7.332 -28.933 1.00 13.13 C ATOM 1260 CG PHE A 81 6.945 -7.198 -29.160 1.00 41.14 C ATOM 1261 CD1 PHE A 81 6.207 -8.263 -29.651 1.00 40.10 C ATOM 1262 CD2 PHE A 81 6.293 -6.007 -28.884 1.00 45.34 C ATOM 1263 CE1 PHE A 81 4.846 -8.143 -29.861 1.00 61.14 C ATOM 1264 CE2 PHE A 81 4.933 -5.881 -29.092 1.00 71.13 C ATOM 1265 CZ PHE A 81 4.209 -6.950 -29.583 1.00 34.15 C ATOM 0 H PHE A 81 7.801 -6.303 -31.304 1.00 22.34 H new ATOM 0 HA PHE A 81 10.290 -7.221 -29.993 1.00 4.33 H new ATOM 0 HB2 PHE A 81 8.614 -8.237 -28.355 1.00 13.13 H new ATOM 0 HB3 PHE A 81 8.769 -6.491 -28.331 1.00 13.13 H new ATOM 0 HD1 PHE A 81 6.701 -9.198 -29.872 1.00 40.10 H new ATOM 0 HD2 PHE A 81 6.854 -5.167 -28.502 1.00 45.34 H new ATOM 0 HE1 PHE A 81 4.282 -8.981 -30.242 1.00 61.14 H new ATOM 0 HE2 PHE A 81 4.436 -4.948 -28.871 1.00 71.13 H new ATOM 0 HZ PHE A 81 3.146 -6.853 -29.749 1.00 34.15 H new ATOM 1275 N LYS A 82 9.680 -9.770 -30.237 1.00 32.22 N ATOM 1276 CA LYS A 82 9.619 -11.135 -30.747 1.00 43.44 C ATOM 1277 C LYS A 82 8.651 -11.980 -29.927 1.00 32.33 C ATOM 1278 O LYS A 82 7.586 -12.364 -30.408 1.00 60.35 O ATOM 1279 CB LYS A 82 11.011 -11.771 -30.728 1.00 1.41 C ATOM 1280 CG LYS A 82 12.044 -10.998 -31.530 1.00 21.20 C ATOM 1281 CD LYS A 82 11.983 -11.353 -33.006 1.00 53.43 C ATOM 1282 CE LYS A 82 12.840 -12.568 -33.324 1.00 32.42 C ATOM 1283 NZ LYS A 82 12.103 -13.842 -33.092 1.00 44.24 N ATOM 0 H LYS A 82 10.201 -9.669 -29.366 1.00 32.22 H new ATOM 0 HA LYS A 82 9.258 -11.096 -31.775 1.00 43.44 H new ATOM 0 HB2 LYS A 82 11.351 -11.851 -29.695 1.00 1.41 H new ATOM 0 HB3 LYS A 82 10.943 -12.785 -31.121 1.00 1.41 H new ATOM 0 HG2 LYS A 82 11.877 -9.928 -31.405 1.00 21.20 H new ATOM 0 HG3 LYS A 82 13.041 -11.212 -31.144 1.00 21.20 H new ATOM 0 HD2 LYS A 82 10.950 -11.551 -33.291 1.00 53.43 H new ATOM 0 HD3 LYS A 82 12.320 -10.503 -33.600 1.00 53.43 H new ATOM 0 HE2 LYS A 82 13.166 -12.521 -34.363 1.00 32.42 H new ATOM 0 HE3 LYS A 82 13.738 -12.550 -32.707 1.00 32.42 H new ATOM 0 HZ1 LYS A 82 12.431 -14.561 -33.768 1.00 44.24 H new ATOM 0 HZ2 LYS A 82 12.279 -14.173 -32.122 1.00 44.24 H new ATOM 0 HZ3 LYS A 82 11.084 -13.682 -33.224 1.00 44.24 H new ATOM 1297 N ASN A 83 9.028 -12.265 -28.684 1.00 74.44 N ATOM 1298 CA ASN A 83 8.191 -13.065 -27.797 1.00 3.14 C ATOM 1299 C ASN A 83 8.724 -13.027 -26.367 1.00 60.55 C ATOM 1300 O ASN A 83 9.889 -13.337 -26.121 1.00 43.43 O ATOM 1301 CB ASN A 83 8.125 -14.512 -28.290 1.00 52.43 C ATOM 1302 CG ASN A 83 7.224 -15.375 -27.429 1.00 74.52 C ATOM 1303 OD1 ASN A 83 7.698 -16.169 -26.616 1.00 72.13 O ATOM 1304 ND2 ASN A 83 5.916 -15.225 -27.605 1.00 11.53 N ATOM 0 H ASN A 83 9.906 -11.954 -28.269 1.00 74.44 H new ATOM 0 HA ASN A 83 7.187 -12.640 -27.804 1.00 3.14 H new ATOM 0 HB2 ASN A 83 7.763 -14.527 -29.318 1.00 52.43 H new ATOM 0 HB3 ASN A 83 9.129 -14.936 -28.299 1.00 52.43 H new ATOM 0 HD21 ASN A 83 5.260 -15.780 -27.055 1.00 11.53 H new ATOM 0 HD22 ASN A 83 5.567 -14.555 -28.290 1.00 11.53 H new ATOM 1311 N GLU A 84 7.862 -12.647 -25.430 1.00 34.21 N ATOM 1312 CA GLU A 84 8.246 -12.569 -24.026 1.00 22.45 C ATOM 1313 C GLU A 84 8.054 -13.916 -23.333 1.00 41.24 C ATOM 1314 O GLU A 84 7.170 -14.692 -23.695 1.00 33.42 O ATOM 1315 CB GLU A 84 7.428 -11.494 -23.308 1.00 52.35 C ATOM 1316 CG GLU A 84 5.936 -11.783 -23.278 1.00 44.21 C ATOM 1317 CD GLU A 84 5.204 -11.194 -24.468 1.00 34.11 C ATOM 1318 OE1 GLU A 84 5.180 -9.952 -24.594 1.00 10.32 O ATOM 1319 OE2 GLU A 84 4.654 -11.975 -25.272 1.00 52.25 O ATOM 0 H GLU A 84 6.893 -12.388 -25.618 1.00 34.21 H new ATOM 0 HA GLU A 84 9.302 -12.303 -23.980 1.00 22.45 H new ATOM 0 HB2 GLU A 84 7.791 -11.396 -22.285 1.00 52.35 H new ATOM 0 HB3 GLU A 84 7.594 -10.535 -23.799 1.00 52.35 H new ATOM 0 HG2 GLU A 84 5.779 -12.861 -23.257 1.00 44.21 H new ATOM 0 HG3 GLU A 84 5.510 -11.381 -22.359 1.00 44.21 H new ATOM 1326 N LYS A 85 8.890 -14.186 -22.336 1.00 75.22 N ATOM 1327 CA LYS A 85 8.813 -15.437 -21.592 1.00 23.45 C ATOM 1328 C LYS A 85 8.641 -15.173 -20.099 1.00 42.22 C ATOM 1329 O LYS A 85 9.487 -14.537 -19.470 1.00 13.13 O ATOM 1330 CB LYS A 85 10.072 -16.274 -21.830 1.00 62.20 C ATOM 1331 CG LYS A 85 9.929 -17.724 -21.400 1.00 64.01 C ATOM 1332 CD LYS A 85 9.387 -18.589 -22.526 1.00 12.43 C ATOM 1333 CE LYS A 85 9.861 -20.028 -22.401 1.00 22.30 C ATOM 1334 NZ LYS A 85 9.080 -20.947 -23.274 1.00 33.41 N ATOM 0 H LYS A 85 9.629 -13.555 -22.025 1.00 75.22 H new ATOM 0 HA LYS A 85 7.943 -15.989 -21.948 1.00 23.45 H new ATOM 0 HB2 LYS A 85 10.325 -16.241 -22.890 1.00 62.20 H new ATOM 0 HB3 LYS A 85 10.905 -15.824 -21.290 1.00 62.20 H new ATOM 0 HG2 LYS A 85 10.898 -18.107 -21.080 1.00 64.01 H new ATOM 0 HG3 LYS A 85 9.262 -17.785 -20.540 1.00 64.01 H new ATOM 0 HD2 LYS A 85 8.297 -18.562 -22.515 1.00 12.43 H new ATOM 0 HD3 LYS A 85 9.707 -18.182 -23.485 1.00 12.43 H new ATOM 0 HE2 LYS A 85 10.917 -20.087 -22.665 1.00 22.30 H new ATOM 0 HE3 LYS A 85 9.773 -20.350 -21.364 1.00 22.30 H new ATOM 0 HZ1 LYS A 85 9.434 -21.918 -23.160 1.00 33.41 H new ATOM 0 HZ2 LYS A 85 8.076 -20.911 -23.006 1.00 33.41 H new ATOM 0 HZ3 LYS A 85 9.184 -20.655 -24.267 1.00 33.41 H new ATOM 1348 N VAL A 86 7.542 -15.666 -19.538 1.00 55.13 N ATOM 1349 CA VAL A 86 7.260 -15.485 -18.119 1.00 41.12 C ATOM 1350 C VAL A 86 8.113 -16.417 -17.266 1.00 63.04 C ATOM 1351 O VAL A 86 7.909 -17.631 -17.262 1.00 61.40 O ATOM 1352 CB VAL A 86 5.773 -15.737 -17.805 1.00 43.23 C ATOM 1353 CG1 VAL A 86 5.492 -15.502 -16.329 1.00 31.10 C ATOM 1354 CG2 VAL A 86 4.889 -14.853 -18.672 1.00 61.10 C ATOM 0 H VAL A 86 6.832 -16.194 -20.045 1.00 55.13 H new ATOM 0 HA VAL A 86 7.504 -14.451 -17.878 1.00 41.12 H new ATOM 0 HB VAL A 86 5.542 -16.778 -18.033 1.00 43.23 H new ATOM 0 HG11 VAL A 86 4.437 -15.685 -16.126 1.00 31.10 H new ATOM 0 HG12 VAL A 86 6.100 -16.181 -15.730 1.00 31.10 H new ATOM 0 HG13 VAL A 86 5.738 -14.472 -16.071 1.00 31.10 H new ATOM 0 HG21 VAL A 86 3.842 -15.044 -18.437 1.00 61.10 H new ATOM 0 HG22 VAL A 86 5.119 -13.806 -18.477 1.00 61.10 H new ATOM 0 HG23 VAL A 86 5.072 -15.075 -19.723 1.00 61.10 H new ATOM 1364 N ILE A 87 9.069 -15.841 -16.545 1.00 62.04 N ATOM 1365 CA ILE A 87 9.953 -16.620 -15.687 1.00 74.50 C ATOM 1366 C ILE A 87 9.710 -16.303 -14.215 1.00 43.45 C ATOM 1367 O ILE A 87 8.840 -15.499 -13.878 1.00 31.25 O ATOM 1368 CB ILE A 87 11.434 -16.361 -16.020 1.00 12.34 C ATOM 1369 CG1 ILE A 87 11.712 -14.857 -16.066 1.00 44.03 C ATOM 1370 CG2 ILE A 87 11.802 -17.015 -17.343 1.00 40.40 C ATOM 1371 CD1 ILE A 87 13.178 -14.519 -16.224 1.00 4.32 C ATOM 0 H ILE A 87 9.251 -14.837 -16.538 1.00 62.04 H new ATOM 0 HA ILE A 87 9.727 -17.670 -15.872 1.00 74.50 H new ATOM 0 HB ILE A 87 12.051 -16.802 -15.237 1.00 12.34 H new ATOM 0 HG12 ILE A 87 11.155 -14.418 -16.893 1.00 44.03 H new ATOM 0 HG13 ILE A 87 11.338 -14.398 -15.151 1.00 44.03 H new ATOM 0 HG21 ILE A 87 12.852 -16.823 -17.564 1.00 40.40 H new ATOM 0 HG22 ILE A 87 11.636 -18.090 -17.276 1.00 40.40 H new ATOM 0 HG23 ILE A 87 11.182 -16.601 -18.138 1.00 40.40 H new ATOM 0 HD11 ILE A 87 13.301 -13.436 -16.249 1.00 4.32 H new ATOM 0 HD12 ILE A 87 13.738 -14.929 -15.384 1.00 4.32 H new ATOM 0 HD13 ILE A 87 13.552 -14.948 -17.153 1.00 4.32 H new ATOM 1383 N LEU A 88 10.486 -16.937 -13.344 1.00 5.45 N ATOM 1384 CA LEU A 88 10.358 -16.720 -11.907 1.00 22.45 C ATOM 1385 C LEU A 88 11.557 -15.950 -11.363 1.00 11.43 C ATOM 1386 O LEU A 88 11.457 -15.261 -10.347 1.00 25.33 O ATOM 1387 CB LEU A 88 10.226 -18.060 -11.179 1.00 51.52 C ATOM 1388 CG LEU A 88 8.813 -18.638 -11.090 1.00 23.03 C ATOM 1389 CD1 LEU A 88 8.865 -20.131 -10.807 1.00 31.34 C ATOM 1390 CD2 LEU A 88 8.009 -17.918 -10.018 1.00 12.44 C ATOM 0 H LEU A 88 11.210 -17.605 -13.607 1.00 5.45 H new ATOM 0 HA LEU A 88 9.460 -16.128 -11.733 1.00 22.45 H new ATOM 0 HB2 LEU A 88 10.864 -18.788 -11.680 1.00 51.52 H new ATOM 0 HB3 LEU A 88 10.613 -17.941 -10.167 1.00 51.52 H new ATOM 0 HG LEU A 88 8.318 -18.487 -12.049 1.00 23.03 H new ATOM 0 HD11 LEU A 88 7.851 -20.525 -10.747 1.00 31.34 H new ATOM 0 HD12 LEU A 88 9.403 -20.635 -11.610 1.00 31.34 H new ATOM 0 HD13 LEU A 88 9.378 -20.304 -9.861 1.00 31.34 H new ATOM 0 HD21 LEU A 88 7.006 -18.342 -9.969 1.00 12.44 H new ATOM 0 HD22 LEU A 88 8.501 -18.037 -9.053 1.00 12.44 H new ATOM 0 HD23 LEU A 88 7.943 -16.858 -10.263 1.00 12.44 H new ATOM 1402 N LYS A 89 12.690 -16.068 -12.047 1.00 13.01 N ATOM 1403 CA LYS A 89 13.908 -15.380 -11.636 1.00 31.22 C ATOM 1404 C LYS A 89 14.784 -15.058 -12.842 1.00 41.20 C ATOM 1405 O LYS A 89 14.868 -15.841 -13.789 1.00 32.53 O ATOM 1406 CB LYS A 89 14.690 -16.237 -10.638 1.00 62.53 C ATOM 1407 CG LYS A 89 15.054 -17.612 -11.172 1.00 64.01 C ATOM 1408 CD LYS A 89 13.941 -18.617 -10.930 1.00 72.23 C ATOM 1409 CE LYS A 89 14.454 -20.047 -11.006 1.00 42.14 C ATOM 1410 NZ LYS A 89 13.367 -21.010 -11.334 1.00 33.13 N ATOM 0 H LYS A 89 12.790 -16.634 -12.889 1.00 13.01 H new ATOM 0 HA LYS A 89 13.623 -14.444 -11.156 1.00 31.22 H new ATOM 0 HB2 LYS A 89 15.603 -15.712 -10.358 1.00 62.53 H new ATOM 0 HB3 LYS A 89 14.098 -16.354 -9.730 1.00 62.53 H new ATOM 0 HG2 LYS A 89 15.259 -17.546 -12.240 1.00 64.01 H new ATOM 0 HG3 LYS A 89 15.969 -17.959 -10.692 1.00 64.01 H new ATOM 0 HD2 LYS A 89 13.497 -18.440 -9.950 1.00 72.23 H new ATOM 0 HD3 LYS A 89 13.152 -18.473 -11.668 1.00 72.23 H new ATOM 0 HE2 LYS A 89 15.237 -20.112 -11.762 1.00 42.14 H new ATOM 0 HE3 LYS A 89 14.907 -20.321 -10.053 1.00 42.14 H new ATOM 0 HZ1 LYS A 89 13.757 -21.973 -11.376 1.00 33.13 H new ATOM 0 HZ2 LYS A 89 12.632 -20.967 -10.600 1.00 33.13 H new ATOM 0 HZ3 LYS A 89 12.952 -20.764 -12.255 1.00 33.13 H new ATOM 1424 N LEU A 90 15.436 -13.901 -12.801 1.00 64.33 N ATOM 1425 CA LEU A 90 16.308 -13.476 -13.891 1.00 4.13 C ATOM 1426 C LEU A 90 17.708 -14.060 -13.728 1.00 31.21 C ATOM 1427 O LEU A 90 18.269 -14.056 -12.632 1.00 64.23 O ATOM 1428 CB LEU A 90 16.384 -11.949 -13.943 1.00 53.04 C ATOM 1429 CG LEU A 90 15.048 -11.208 -13.866 1.00 5.01 C ATOM 1430 CD1 LEU A 90 15.259 -9.776 -13.400 1.00 10.14 C ATOM 1431 CD2 LEU A 90 14.345 -11.234 -15.215 1.00 42.41 C ATOM 0 H LEU A 90 15.378 -13.241 -12.026 1.00 64.33 H new ATOM 0 HA LEU A 90 15.886 -13.846 -14.826 1.00 4.13 H new ATOM 0 HB2 LEU A 90 17.014 -11.608 -13.121 1.00 53.04 H new ATOM 0 HB3 LEU A 90 16.884 -11.661 -14.868 1.00 53.04 H new ATOM 0 HG LEU A 90 14.414 -11.715 -13.139 1.00 5.01 H new ATOM 0 HD11 LEU A 90 14.298 -9.264 -13.351 1.00 10.14 H new ATOM 0 HD12 LEU A 90 15.719 -9.779 -12.412 1.00 10.14 H new ATOM 0 HD13 LEU A 90 15.911 -9.257 -14.102 1.00 10.14 H new ATOM 0 HD21 LEU A 90 13.396 -10.702 -15.141 1.00 42.41 H new ATOM 0 HD22 LEU A 90 14.974 -10.751 -15.963 1.00 42.41 H new ATOM 0 HD23 LEU A 90 14.160 -12.267 -15.509 1.00 42.41 H new ATOM 1443 N ASP A 91 18.266 -14.560 -14.825 1.00 0.30 N ATOM 1444 CA ASP A 91 19.602 -15.145 -14.805 1.00 13.40 C ATOM 1445 C ASP A 91 20.664 -14.067 -14.613 1.00 1.14 C ATOM 1446 O ASP A 91 21.747 -14.335 -14.092 1.00 43.40 O ATOM 1447 CB ASP A 91 19.865 -15.912 -16.101 1.00 61.24 C ATOM 1448 CG ASP A 91 19.638 -15.060 -17.335 1.00 22.42 C ATOM 1449 OD1 ASP A 91 18.463 -14.845 -17.700 1.00 23.31 O ATOM 1450 OD2 ASP A 91 20.636 -14.608 -17.935 1.00 34.24 O ATOM 0 H ASP A 91 17.814 -14.572 -15.739 1.00 0.30 H new ATOM 0 HA ASP A 91 19.656 -15.837 -13.965 1.00 13.40 H new ATOM 0 HB2 ASP A 91 20.891 -16.279 -16.100 1.00 61.24 H new ATOM 0 HB3 ASP A 91 19.214 -16.785 -16.141 1.00 61.24 H new ATOM 1455 N TYR A 92 20.347 -12.849 -15.037 1.00 1.31 N ATOM 1456 CA TYR A 92 21.275 -11.731 -14.915 1.00 25.13 C ATOM 1457 C TYR A 92 20.958 -10.892 -13.681 1.00 5.04 C ATOM 1458 O TYR A 92 19.852 -10.949 -13.144 1.00 71.54 O ATOM 1459 CB TYR A 92 21.221 -10.856 -16.168 1.00 53.00 C ATOM 1460 CG TYR A 92 22.198 -11.275 -17.242 1.00 64.35 C ATOM 1461 CD1 TYR A 92 23.558 -11.022 -17.110 1.00 10.31 C ATOM 1462 CD2 TYR A 92 21.762 -11.926 -18.390 1.00 64.11 C ATOM 1463 CE1 TYR A 92 24.454 -11.402 -18.089 1.00 65.45 C ATOM 1464 CE2 TYR A 92 22.652 -12.312 -19.374 1.00 51.23 C ATOM 1465 CZ TYR A 92 23.997 -12.047 -19.220 1.00 33.24 C ATOM 1466 OH TYR A 92 24.887 -12.429 -20.197 1.00 72.30 O ATOM 0 H TYR A 92 19.454 -12.610 -15.468 1.00 1.31 H new ATOM 0 HA TYR A 92 22.281 -12.137 -14.807 1.00 25.13 H new ATOM 0 HB2 TYR A 92 20.211 -10.884 -16.577 1.00 53.00 H new ATOM 0 HB3 TYR A 92 21.423 -9.822 -15.888 1.00 53.00 H new ATOM 0 HD1 TYR A 92 23.920 -10.519 -16.226 1.00 10.31 H new ATOM 0 HD2 TYR A 92 20.710 -12.134 -18.515 1.00 64.11 H new ATOM 0 HE1 TYR A 92 25.507 -11.195 -17.970 1.00 65.45 H new ATOM 0 HE2 TYR A 92 22.296 -12.819 -20.259 1.00 51.23 H new ATOM 0 HH TYR A 92 24.403 -12.872 -20.925 1.00 72.30 H new ATOM 1476 N SER A 93 21.939 -10.112 -13.236 1.00 15.02 N ATOM 1477 CA SER A 93 21.767 -9.262 -12.063 1.00 71.41 C ATOM 1478 C SER A 93 21.757 -7.788 -12.457 1.00 22.41 C ATOM 1479 O SER A 93 21.167 -6.955 -11.769 1.00 43.34 O ATOM 1480 CB SER A 93 22.883 -9.524 -11.050 1.00 12.11 C ATOM 1481 OG SER A 93 23.016 -10.909 -10.784 1.00 35.54 O ATOM 0 H SER A 93 22.860 -10.051 -13.670 1.00 15.02 H new ATOM 0 HA SER A 93 20.807 -9.504 -11.606 1.00 71.41 H new ATOM 0 HB2 SER A 93 23.825 -9.132 -11.433 1.00 12.11 H new ATOM 0 HB3 SER A 93 22.669 -8.991 -10.123 1.00 12.11 H new ATOM 0 HG SER A 93 23.737 -11.050 -10.135 1.00 35.54 H new ATOM 1487 N ASP A 94 22.415 -7.475 -13.568 1.00 32.32 N ATOM 1488 CA ASP A 94 22.482 -6.102 -14.055 1.00 61.53 C ATOM 1489 C ASP A 94 22.818 -6.070 -15.543 1.00 4.11 C ATOM 1490 O ASP A 94 23.721 -6.771 -16.001 1.00 41.44 O ATOM 1491 CB ASP A 94 23.525 -5.309 -13.266 1.00 71.14 C ATOM 1492 CG ASP A 94 24.870 -6.007 -13.220 1.00 71.01 C ATOM 1493 OD1 ASP A 94 25.609 -5.939 -14.225 1.00 1.04 O ATOM 1494 OD2 ASP A 94 25.184 -6.621 -12.179 1.00 11.41 O ATOM 0 H ASP A 94 22.909 -8.153 -14.148 1.00 32.32 H new ATOM 0 HA ASP A 94 21.504 -5.643 -13.912 1.00 61.53 H new ATOM 0 HB2 ASP A 94 23.645 -4.324 -13.717 1.00 71.14 H new ATOM 0 HB3 ASP A 94 23.165 -5.152 -12.249 1.00 71.14 H new ATOM 1499 N PHE A 95 22.086 -5.253 -16.292 1.00 51.32 N ATOM 1500 CA PHE A 95 22.305 -5.130 -17.729 1.00 31.33 C ATOM 1501 C PHE A 95 23.771 -4.837 -18.032 1.00 43.22 C ATOM 1502 O PHE A 95 24.408 -4.035 -17.350 1.00 12.43 O ATOM 1503 CB PHE A 95 21.421 -4.024 -18.308 1.00 61.04 C ATOM 1504 CG PHE A 95 21.188 -4.155 -19.786 1.00 64.44 C ATOM 1505 CD1 PHE A 95 22.220 -3.938 -20.686 1.00 21.35 C ATOM 1506 CD2 PHE A 95 19.938 -4.496 -20.277 1.00 22.42 C ATOM 1507 CE1 PHE A 95 22.008 -4.058 -22.046 1.00 43.30 C ATOM 1508 CE2 PHE A 95 19.721 -4.618 -21.636 1.00 55.33 C ATOM 1509 CZ PHE A 95 20.757 -4.399 -22.522 1.00 24.10 C ATOM 0 H PHE A 95 21.336 -4.666 -15.928 1.00 51.32 H new ATOM 0 HA PHE A 95 22.039 -6.079 -18.195 1.00 31.33 H new ATOM 0 HB2 PHE A 95 20.460 -4.032 -17.795 1.00 61.04 H new ATOM 0 HB3 PHE A 95 21.882 -3.058 -18.105 1.00 61.04 H new ATOM 0 HD1 PHE A 95 23.201 -3.672 -20.320 1.00 21.35 H new ATOM 0 HD2 PHE A 95 19.123 -4.669 -19.589 1.00 22.42 H new ATOM 0 HE1 PHE A 95 22.820 -3.885 -22.737 1.00 43.30 H new ATOM 0 HE2 PHE A 95 18.742 -4.885 -22.005 1.00 55.33 H new ATOM 0 HZ PHE A 95 20.590 -4.494 -23.585 1.00 24.10 H new ATOM 1519 N GLN A 96 24.299 -5.493 -19.060 1.00 65.11 N ATOM 1520 CA GLN A 96 25.691 -5.304 -19.453 1.00 53.33 C ATOM 1521 C GLN A 96 25.809 -5.116 -20.962 1.00 43.41 C ATOM 1522 O GLN A 96 24.974 -5.601 -21.725 1.00 72.22 O ATOM 1523 CB GLN A 96 26.536 -6.499 -19.008 1.00 53.43 C ATOM 1524 CG GLN A 96 28.003 -6.161 -18.797 1.00 32.31 C ATOM 1525 CD GLN A 96 28.705 -7.153 -17.891 1.00 30.24 C ATOM 1526 OE1 GLN A 96 28.223 -7.465 -16.801 1.00 5.20 O ATOM 1527 NE2 GLN A 96 29.850 -7.656 -18.337 1.00 42.41 N ATOM 0 H GLN A 96 23.785 -6.160 -19.636 1.00 65.11 H new ATOM 0 HA GLN A 96 26.062 -4.404 -18.963 1.00 53.33 H new ATOM 0 HB2 GLN A 96 26.126 -6.898 -18.080 1.00 53.43 H new ATOM 0 HB3 GLN A 96 26.457 -7.288 -19.756 1.00 53.43 H new ATOM 0 HG2 GLN A 96 28.509 -6.135 -19.762 1.00 32.31 H new ATOM 0 HG3 GLN A 96 28.084 -5.162 -18.368 1.00 32.31 H new ATOM 0 HE21 GLN A 96 30.213 -7.370 -19.246 1.00 42.41 H new ATOM 0 HE22 GLN A 96 30.367 -8.329 -17.770 1.00 42.41 H new ATOM 1536 N ILE A 97 26.851 -4.408 -21.385 1.00 25.10 N ATOM 1537 CA ILE A 97 27.079 -4.157 -22.803 1.00 10.14 C ATOM 1538 C ILE A 97 28.016 -5.200 -23.402 1.00 42.32 C ATOM 1539 O ILE A 97 28.979 -5.625 -22.764 1.00 3.20 O ATOM 1540 CB ILE A 97 27.671 -2.755 -23.038 1.00 44.10 C ATOM 1541 CG1 ILE A 97 26.784 -1.688 -22.395 1.00 14.34 C ATOM 1542 CG2 ILE A 97 27.831 -2.491 -24.528 1.00 4.23 C ATOM 1543 CD1 ILE A 97 27.416 -0.314 -22.363 1.00 24.12 C ATOM 0 H ILE A 97 27.551 -3.998 -20.766 1.00 25.10 H new ATOM 0 HA ILE A 97 26.108 -4.219 -23.295 1.00 10.14 H new ATOM 0 HB ILE A 97 28.656 -2.710 -22.573 1.00 44.10 H new ATOM 0 HG12 ILE A 97 25.842 -1.633 -22.941 1.00 14.34 H new ATOM 0 HG13 ILE A 97 26.544 -1.992 -21.376 1.00 14.34 H new ATOM 0 HG21 ILE A 97 28.250 -1.496 -24.678 1.00 4.23 H new ATOM 0 HG22 ILE A 97 28.500 -3.236 -24.960 1.00 4.23 H new ATOM 0 HG23 ILE A 97 26.858 -2.552 -25.015 1.00 4.23 H new ATOM 0 HD11 ILE A 97 26.730 0.391 -21.893 1.00 24.12 H new ATOM 0 HD12 ILE A 97 28.343 -0.353 -21.792 1.00 24.12 H new ATOM 0 HD13 ILE A 97 27.630 0.012 -23.381 1.00 24.12 H new ATOM 1555 N VAL A 98 27.729 -5.607 -24.634 1.00 75.34 N ATOM 1556 CA VAL A 98 28.547 -6.598 -25.322 1.00 61.44 C ATOM 1557 C VAL A 98 29.540 -5.931 -26.268 1.00 13.24 C ATOM 1558 O VAL A 98 29.193 -4.997 -26.992 1.00 23.42 O ATOM 1559 CB VAL A 98 27.678 -7.586 -26.123 1.00 32.43 C ATOM 1560 CG1 VAL A 98 28.533 -8.705 -26.699 1.00 12.22 C ATOM 1561 CG2 VAL A 98 26.568 -8.149 -25.247 1.00 63.33 C ATOM 0 H VAL A 98 26.936 -5.265 -25.176 1.00 75.34 H new ATOM 0 HA VAL A 98 29.092 -7.145 -24.553 1.00 61.44 H new ATOM 0 HB VAL A 98 27.219 -7.049 -26.953 1.00 32.43 H new ATOM 0 HG11 VAL A 98 27.901 -9.393 -27.261 1.00 12.22 H new ATOM 0 HG12 VAL A 98 29.288 -8.282 -27.361 1.00 12.22 H new ATOM 0 HG13 VAL A 98 29.023 -9.243 -25.887 1.00 12.22 H new ATOM 0 HG21 VAL A 98 25.963 -8.845 -25.828 1.00 63.33 H new ATOM 0 HG22 VAL A 98 27.005 -8.671 -24.396 1.00 63.33 H new ATOM 0 HG23 VAL A 98 25.939 -7.334 -24.888 1.00 63.33 H new ATOM 1571 N LYS A 99 30.777 -6.416 -26.256 1.00 53.33 N ATOM 1572 CA LYS A 99 31.821 -5.868 -27.113 1.00 64.35 C ATOM 1573 C LYS A 99 31.487 -6.086 -28.586 1.00 21.43 C ATOM 1574 O LYS A 99 32.380 -6.170 -29.429 1.00 41.03 O ATOM 1575 CB LYS A 99 33.170 -6.513 -26.785 1.00 34.53 C ATOM 1576 CG LYS A 99 34.363 -5.642 -27.136 1.00 11.32 C ATOM 1577 CD LYS A 99 35.675 -6.359 -26.868 1.00 44.20 C ATOM 1578 CE LYS A 99 36.115 -7.183 -28.068 1.00 60.32 C ATOM 1579 NZ LYS A 99 35.554 -8.562 -28.029 1.00 64.41 N ATOM 0 H LYS A 99 31.081 -7.188 -25.662 1.00 53.33 H new ATOM 0 HA LYS A 99 31.882 -4.796 -26.927 1.00 64.35 H new ATOM 0 HB2 LYS A 99 33.202 -6.747 -25.721 1.00 34.53 H new ATOM 0 HB3 LYS A 99 33.251 -7.458 -27.321 1.00 34.53 H new ATOM 0 HG2 LYS A 99 34.311 -5.358 -28.187 1.00 11.32 H new ATOM 0 HG3 LYS A 99 34.326 -4.721 -26.555 1.00 11.32 H new ATOM 0 HD2 LYS A 99 36.447 -5.629 -26.624 1.00 44.20 H new ATOM 0 HD3 LYS A 99 35.565 -7.009 -26.000 1.00 44.20 H new ATOM 0 HE2 LYS A 99 35.797 -6.687 -28.985 1.00 60.32 H new ATOM 0 HE3 LYS A 99 37.203 -7.234 -28.094 1.00 60.32 H new ATOM 0 HZ1 LYS A 99 36.225 -9.222 -28.471 1.00 64.41 H new ATOM 0 HZ2 LYS A 99 35.392 -8.843 -27.041 1.00 64.41 H new ATOM 0 HZ3 LYS A 99 34.653 -8.585 -28.548 1.00 64.41 H new TER 1593 LYS A 99