USER MOD reduce.3.24.130724 H: found=0, std=0, add=843, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 843 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 62 LYS NZ :NH3+ 176:sc= 0.103 (180deg=-0.0616) USER MOD Set 1.2: A 63 SER OG : rot -47:sc= 0.0856 USER MOD Set 2.1: A 38 MET CE :methyl 165:sc= -0.649 (180deg=-1.51) USER MOD Set 2.2: A 49 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 25 LYS NZ :NH3+ 151:sc= -0.952 (180deg=-2.61!) USER MOD Set 3.2: A 72 THR OG1 : rot 171:sc= 0.0218 USER MOD Set 4.1: A 23 SER OG : rot -65:sc= 0.142 USER MOD Set 4.2: A 74 THR OG1 : rot 180:sc= 0.139 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -142:sc= 0.0871 (180deg=-0.0983) USER MOD Single : A 3 HIS : no HD1:sc= -0.307 X(o=-0.31,f=-0.37) USER MOD Single : A 4 HIS : no HD1:sc= 0.0352 K(o=0.035,f=-0.95) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 6 HIS : no HD1:sc= 0.0256 K(o=0.026,f=-0.64) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.00029) USER MOD Single : A 8 HIS : no HD1:sc= -0.357 K(o=-0.36,f=-1.1) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HE2:sc= -0.164 K(o=-0.16,f=-1.5) USER MOD Single : A 11 MET CE :methyl 175:sc= -2.56 (180deg=-2.61!) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.117 K(o=-0.12,f=-0.78) USER MOD Single : A 18 THR OG1 : rot 90:sc= 0.216 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 22 ASN : amide:sc= -0.372 K(o=-0.37,f=-3.7) USER MOD Single : A 30 LYS NZ :NH3+ -161:sc= -0.0746 (180deg=-0.423) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 70 SER OG : rot -69:sc= 0.0126 USER MOD Single : A 75 LYS NZ :NH3+ 178:sc= 1.33 (180deg=1.32) USER MOD Single : A 77 ASN : amide:sc= -1.43 K(o=-1.4,f=-3.9!) USER MOD Single : A 83 ASN : amide:sc=-0.00386 X(o=-0.0039,f=-0.0039) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot -134:sc= -0.443 USER MOD Single : A 92 THR OG1 : rot 75:sc= 0.738 USER MOD Single : A 94 MET CE :methyl -134:sc= -0.341 (180deg=-0.672) USER MOD Single : A 99 SER OG : rot 71:sc= 0.98 USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.0333 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.091 -18.813 8.832 1.00 21.51 N ATOM 2 CA MET A 1 -0.928 -19.272 9.625 1.00 51.54 C ATOM 3 C MET A 1 -0.183 -18.052 10.198 1.00 20.50 C ATOM 4 O MET A 1 -0.618 -16.900 10.008 1.00 43.24 O ATOM 5 CB MET A 1 0.025 -20.135 8.744 1.00 25.51 C ATOM 6 CG MET A 1 -0.662 -21.263 7.958 1.00 20.02 C ATOM 7 SD MET A 1 -1.685 -22.329 8.998 1.00 21.23 S ATOM 8 CE MET A 1 -2.403 -23.441 7.784 1.00 65.22 C ATOM 0 H1 MET A 1 -2.891 -19.461 8.982 1.00 21.51 H new ATOM 0 H2 MET A 1 -2.360 -17.855 9.133 1.00 21.51 H new ATOM 0 H3 MET A 1 -1.840 -18.801 7.823 1.00 21.51 H new ATOM 0 HA MET A 1 -1.278 -19.893 10.450 1.00 51.54 H new ATOM 0 HB2 MET A 1 0.536 -19.480 8.039 1.00 25.51 H new ATOM 0 HB3 MET A 1 0.791 -20.573 9.385 1.00 25.51 H new ATOM 0 HG2 MET A 1 -1.282 -20.827 7.174 1.00 20.02 H new ATOM 0 HG3 MET A 1 0.098 -21.868 7.464 1.00 20.02 H new ATOM 0 HE1 MET A 1 -3.058 -24.154 8.286 1.00 65.22 H new ATOM 0 HE2 MET A 1 -2.980 -22.866 7.060 1.00 65.22 H new ATOM 0 HE3 MET A 1 -1.608 -23.979 7.269 1.00 65.22 H new ATOM 20 N GLY A 2 0.917 -18.310 10.931 1.00 72.44 N ATOM 21 CA GLY A 2 1.833 -17.252 11.365 1.00 62.43 C ATOM 22 C GLY A 2 1.431 -16.549 12.655 1.00 63.52 C ATOM 23 O GLY A 2 2.187 -15.692 13.142 1.00 64.44 O ATOM 0 H GLY A 2 1.188 -19.246 11.233 1.00 72.44 H new ATOM 0 HA2 GLY A 2 2.826 -17.682 11.496 1.00 62.43 H new ATOM 0 HA3 GLY A 2 1.910 -16.509 10.571 1.00 62.43 H new ATOM 27 N HIS A 3 0.247 -16.882 13.209 1.00 14.04 N ATOM 28 CA HIS A 3 -0.188 -16.354 14.510 1.00 3.03 C ATOM 29 C HIS A 3 0.638 -17.039 15.623 1.00 0.41 C ATOM 30 O HIS A 3 0.258 -18.073 16.173 1.00 5.03 O ATOM 31 CB HIS A 3 -1.733 -16.499 14.711 1.00 70.22 C ATOM 32 CG HIS A 3 -2.278 -17.915 14.660 1.00 41.44 C ATOM 33 ND1 HIS A 3 -2.627 -18.628 15.785 1.00 51.11 N ATOM 34 CD2 HIS A 3 -2.536 -18.735 13.612 1.00 3.42 C ATOM 35 CE1 HIS A 3 -3.069 -19.820 15.431 1.00 12.54 C ATOM 36 NE2 HIS A 3 -3.024 -19.912 14.123 1.00 51.31 N ATOM 0 H HIS A 3 -0.423 -17.515 12.772 1.00 14.04 H new ATOM 0 HA HIS A 3 0.000 -15.281 14.554 1.00 3.03 H new ATOM 0 HB2 HIS A 3 -1.997 -16.063 15.675 1.00 70.22 H new ATOM 0 HB3 HIS A 3 -2.237 -15.909 13.945 1.00 70.22 H new ATOM 0 HD2 HIS A 3 -2.385 -18.505 12.568 1.00 3.42 H new ATOM 0 HE1 HIS A 3 -3.411 -20.591 16.105 1.00 12.54 H new ATOM 0 HE2 HIS A 3 -3.306 -20.725 13.575 1.00 51.31 H new ATOM 45 N HIS A 4 1.816 -16.441 15.883 1.00 21.04 N ATOM 46 CA HIS A 4 2.873 -16.985 16.772 1.00 35.43 C ATOM 47 C HIS A 4 2.400 -17.244 18.218 1.00 33.12 C ATOM 48 O HIS A 4 2.974 -18.085 18.912 1.00 62.25 O ATOM 49 CB HIS A 4 4.104 -16.032 16.752 1.00 32.21 C ATOM 50 CG HIS A 4 3.774 -14.577 17.032 1.00 53.31 C ATOM 51 ND1 HIS A 4 3.407 -13.690 16.036 1.00 71.21 N ATOM 52 CD2 HIS A 4 3.722 -13.866 18.190 1.00 2.03 C ATOM 53 CE1 HIS A 4 3.146 -12.512 16.567 1.00 64.32 C ATOM 54 NE2 HIS A 4 3.333 -12.589 17.868 1.00 72.42 N ATOM 0 H HIS A 4 2.070 -15.543 15.472 1.00 21.04 H new ATOM 0 HA HIS A 4 3.148 -17.964 16.379 1.00 35.43 H new ATOM 0 HB2 HIS A 4 4.827 -16.377 17.491 1.00 32.21 H new ATOM 0 HB3 HIS A 4 4.586 -16.102 15.777 1.00 32.21 H new ATOM 0 HD2 HIS A 4 3.945 -14.237 19.179 1.00 2.03 H new ATOM 0 HE1 HIS A 4 2.832 -11.632 16.026 1.00 64.32 H new ATOM 0 HE2 HIS A 4 3.209 -11.823 18.530 1.00 72.42 H new ATOM 63 N HIS A 5 1.353 -16.532 18.655 1.00 10.01 N ATOM 64 CA HIS A 5 0.846 -16.608 20.035 1.00 64.44 C ATOM 65 C HIS A 5 -0.655 -16.320 20.064 1.00 61.13 C ATOM 66 O HIS A 5 -1.113 -15.357 19.433 1.00 51.11 O ATOM 67 CB HIS A 5 1.610 -15.586 20.916 1.00 2.34 C ATOM 68 CG HIS A 5 1.098 -15.411 22.331 1.00 2.34 C ATOM 69 ND1 HIS A 5 0.913 -14.170 22.913 1.00 31.41 N ATOM 70 CD2 HIS A 5 0.759 -16.314 23.286 1.00 32.31 C ATOM 71 CE1 HIS A 5 0.488 -14.323 24.149 1.00 32.23 C ATOM 72 NE2 HIS A 5 0.386 -15.608 24.401 1.00 54.15 N ATOM 0 H HIS A 5 0.832 -15.886 18.062 1.00 10.01 H new ATOM 0 HA HIS A 5 1.008 -17.612 20.426 1.00 64.44 H new ATOM 0 HB2 HIS A 5 2.656 -15.889 20.965 1.00 2.34 H new ATOM 0 HB3 HIS A 5 1.582 -14.616 20.419 1.00 2.34 H new ATOM 0 HD2 HIS A 5 0.779 -17.389 23.186 1.00 32.31 H new ATOM 0 HE1 HIS A 5 0.261 -13.525 24.841 1.00 32.23 H new ATOM 0 HE2 HIS A 5 0.079 -16.015 25.284 1.00 54.15 H new ATOM 81 N HIS A 6 -1.399 -17.165 20.805 1.00 4.33 N ATOM 82 CA HIS A 6 -2.817 -16.937 21.109 1.00 1.34 C ATOM 83 C HIS A 6 -2.965 -15.642 21.939 1.00 20.22 C ATOM 84 O HIS A 6 -2.502 -15.562 23.080 1.00 32.54 O ATOM 85 CB HIS A 6 -3.444 -18.178 21.818 1.00 32.43 C ATOM 86 CG HIS A 6 -2.738 -18.639 23.071 1.00 50.42 C ATOM 87 ND1 HIS A 6 -1.643 -19.475 23.049 1.00 32.12 N ATOM 88 CD2 HIS A 6 -2.979 -18.386 24.382 1.00 24.13 C ATOM 89 CE1 HIS A 6 -1.249 -19.716 24.281 1.00 41.21 C ATOM 90 NE2 HIS A 6 -2.038 -19.069 25.108 1.00 53.22 N ATOM 0 H HIS A 6 -1.028 -18.025 21.208 1.00 4.33 H new ATOM 0 HA HIS A 6 -3.372 -16.804 20.180 1.00 1.34 H new ATOM 0 HB2 HIS A 6 -4.479 -17.946 22.070 1.00 32.43 H new ATOM 0 HB3 HIS A 6 -3.466 -19.006 21.109 1.00 32.43 H new ATOM 0 HD2 HIS A 6 -3.766 -17.762 24.780 1.00 24.13 H new ATOM 0 HE1 HIS A 6 -0.416 -20.342 24.565 1.00 41.21 H new ATOM 0 HE2 HIS A 6 -1.963 -19.074 26.125 1.00 53.22 H new ATOM 99 N HIS A 7 -3.569 -14.629 21.313 1.00 41.43 N ATOM 100 CA HIS A 7 -3.681 -13.259 21.847 1.00 74.22 C ATOM 101 C HIS A 7 -4.670 -12.482 20.970 1.00 13.42 C ATOM 102 O HIS A 7 -5.597 -11.837 21.465 1.00 3.02 O ATOM 103 CB HIS A 7 -2.281 -12.581 21.841 1.00 70.35 C ATOM 104 CG HIS A 7 -2.260 -11.153 22.307 1.00 73.01 C ATOM 105 ND1 HIS A 7 -1.810 -10.113 21.522 1.00 1.32 N ATOM 106 CD2 HIS A 7 -2.586 -10.600 23.499 1.00 62.31 C ATOM 107 CE1 HIS A 7 -1.848 -8.995 22.209 1.00 2.42 C ATOM 108 NE2 HIS A 7 -2.315 -9.262 23.412 1.00 13.40 N ATOM 0 H HIS A 7 -4.006 -14.736 20.398 1.00 41.43 H new ATOM 0 HA HIS A 7 -4.044 -13.274 22.875 1.00 74.22 H new ATOM 0 HB2 HIS A 7 -1.611 -13.163 22.474 1.00 70.35 H new ATOM 0 HB3 HIS A 7 -1.879 -12.622 20.828 1.00 70.35 H new ATOM 0 HD2 HIS A 7 -2.985 -11.118 24.358 1.00 62.31 H new ATOM 0 HE1 HIS A 7 -1.548 -8.022 21.849 1.00 2.42 H new ATOM 0 HE2 HIS A 7 -2.452 -8.580 24.158 1.00 13.40 H new ATOM 117 N HIS A 8 -4.445 -12.578 19.654 1.00 73.00 N ATOM 118 CA HIS A 8 -5.298 -11.985 18.620 1.00 32.12 C ATOM 119 C HIS A 8 -5.109 -12.807 17.340 1.00 13.44 C ATOM 120 O HIS A 8 -4.106 -12.635 16.639 1.00 33.12 O ATOM 121 CB HIS A 8 -4.917 -10.492 18.401 1.00 41.24 C ATOM 122 CG HIS A 8 -5.741 -9.749 17.373 1.00 61.14 C ATOM 123 ND1 HIS A 8 -5.187 -8.890 16.438 1.00 63.43 N ATOM 124 CD2 HIS A 8 -7.083 -9.683 17.176 1.00 34.43 C ATOM 125 CE1 HIS A 8 -6.146 -8.331 15.728 1.00 72.40 C ATOM 126 NE2 HIS A 8 -7.299 -8.797 16.151 1.00 45.33 N ATOM 0 H HIS A 8 -3.646 -13.082 19.271 1.00 73.00 H new ATOM 0 HA HIS A 8 -6.346 -12.005 18.918 1.00 32.12 H new ATOM 0 HB2 HIS A 8 -5.003 -9.971 19.354 1.00 41.24 H new ATOM 0 HB3 HIS A 8 -3.869 -10.443 18.104 1.00 41.24 H new ATOM 0 HD2 HIS A 8 -7.839 -10.226 17.724 1.00 34.43 H new ATOM 0 HE1 HIS A 8 -6.008 -7.612 14.934 1.00 72.40 H new ATOM 0 HE2 HIS A 8 -8.212 -8.540 15.776 1.00 45.33 H new ATOM 135 N SER A 9 -6.050 -13.732 17.072 1.00 62.11 N ATOM 136 CA SER A 9 -5.998 -14.627 15.899 1.00 60.30 C ATOM 137 C SER A 9 -6.508 -13.886 14.648 1.00 43.31 C ATOM 138 O SER A 9 -7.562 -14.201 14.095 1.00 50.52 O ATOM 139 CB SER A 9 -6.818 -15.910 16.177 1.00 3.04 C ATOM 140 OG SER A 9 -6.370 -16.550 17.356 1.00 71.31 O ATOM 0 H SER A 9 -6.868 -13.880 17.663 1.00 62.11 H new ATOM 0 HA SER A 9 -4.966 -14.924 15.712 1.00 60.30 H new ATOM 0 HB2 SER A 9 -7.874 -15.658 16.274 1.00 3.04 H new ATOM 0 HB3 SER A 9 -6.730 -16.593 15.332 1.00 3.04 H new ATOM 0 HG SER A 9 -6.903 -17.357 17.513 1.00 71.31 H new ATOM 146 N HIS A 10 -5.745 -12.870 14.253 1.00 24.10 N ATOM 147 CA HIS A 10 -6.041 -11.968 13.133 1.00 72.33 C ATOM 148 C HIS A 10 -4.741 -11.274 12.714 1.00 3.51 C ATOM 149 O HIS A 10 -3.749 -11.263 13.463 1.00 73.45 O ATOM 150 CB HIS A 10 -7.129 -10.904 13.510 1.00 25.32 C ATOM 151 CG HIS A 10 -8.527 -11.215 13.046 1.00 12.31 C ATOM 152 ND1 HIS A 10 -9.338 -12.141 13.661 1.00 73.42 N ATOM 153 CD2 HIS A 10 -9.255 -10.710 12.022 1.00 53.32 C ATOM 154 CE1 HIS A 10 -10.495 -12.192 13.041 1.00 72.44 C ATOM 155 NE2 HIS A 10 -10.472 -11.331 12.045 1.00 5.14 N ATOM 0 H HIS A 10 -4.868 -12.640 14.720 1.00 24.10 H new ATOM 0 HA HIS A 10 -6.444 -12.554 12.307 1.00 72.33 H new ATOM 0 HB2 HIS A 10 -7.141 -10.791 14.594 1.00 25.32 H new ATOM 0 HB3 HIS A 10 -6.832 -9.942 13.092 1.00 25.32 H new ATOM 0 HD1 HIS A 10 -9.080 -12.702 14.473 1.00 73.42 H new ATOM 0 HD2 HIS A 10 -8.934 -9.957 11.318 1.00 53.32 H new ATOM 0 HE1 HIS A 10 -11.325 -12.832 13.304 1.00 72.44 H new ATOM 164 N MET A 11 -4.776 -10.694 11.519 1.00 54.33 N ATOM 165 CA MET A 11 -3.659 -9.946 10.948 1.00 53.22 C ATOM 166 C MET A 11 -3.610 -8.521 11.550 1.00 3.43 C ATOM 167 O MET A 11 -4.653 -7.926 11.848 1.00 33.54 O ATOM 168 CB MET A 11 -3.830 -9.894 9.408 1.00 41.52 C ATOM 169 CG MET A 11 -2.752 -9.107 8.673 1.00 62.21 C ATOM 170 SD MET A 11 -3.073 -9.028 6.909 1.00 73.32 S ATOM 171 CE MET A 11 -1.814 -7.880 6.404 1.00 4.22 C ATOM 0 H MET A 11 -5.593 -10.730 10.910 1.00 54.33 H new ATOM 0 HA MET A 11 -2.717 -10.440 11.186 1.00 53.22 H new ATOM 0 HB2 MET A 11 -3.842 -10.914 9.023 1.00 41.52 H new ATOM 0 HB3 MET A 11 -4.801 -9.455 9.179 1.00 41.52 H new ATOM 0 HG2 MET A 11 -2.699 -8.097 9.079 1.00 62.21 H new ATOM 0 HG3 MET A 11 -1.781 -9.571 8.846 1.00 62.21 H new ATOM 0 HE1 MET A 11 -1.819 -7.789 5.318 1.00 4.22 H new ATOM 0 HE2 MET A 11 -2.010 -6.905 6.851 1.00 4.22 H new ATOM 0 HE3 MET A 11 -0.840 -8.241 6.733 1.00 4.22 H new ATOM 181 N PHE A 12 -2.388 -8.007 11.744 1.00 13.21 N ATOM 182 CA PHE A 12 -2.136 -6.619 12.165 1.00 11.31 C ATOM 183 C PHE A 12 -0.962 -6.053 11.340 1.00 53.22 C ATOM 184 O PHE A 12 -0.125 -6.816 10.831 1.00 73.04 O ATOM 185 CB PHE A 12 -1.848 -6.537 13.694 1.00 0.14 C ATOM 186 CG PHE A 12 -0.556 -7.224 14.159 1.00 75.33 C ATOM 187 CD1 PHE A 12 -0.534 -8.588 14.461 1.00 74.13 C ATOM 188 CD2 PHE A 12 0.641 -6.502 14.288 1.00 61.41 C ATOM 189 CE1 PHE A 12 0.635 -9.204 14.870 1.00 20.11 C ATOM 190 CE2 PHE A 12 1.807 -7.124 14.694 1.00 15.32 C ATOM 191 CZ PHE A 12 1.803 -8.474 14.985 1.00 45.01 C ATOM 0 H PHE A 12 -1.534 -8.549 11.612 1.00 13.21 H new ATOM 0 HA PHE A 12 -3.026 -6.018 11.981 1.00 11.31 H new ATOM 0 HB2 PHE A 12 -1.805 -5.487 13.982 1.00 0.14 H new ATOM 0 HB3 PHE A 12 -2.688 -6.980 14.229 1.00 0.14 H new ATOM 0 HD1 PHE A 12 -1.441 -9.168 14.374 1.00 74.13 H new ATOM 0 HD2 PHE A 12 0.651 -5.445 14.067 1.00 61.41 H new ATOM 0 HE1 PHE A 12 0.635 -10.259 15.100 1.00 20.11 H new ATOM 0 HE2 PHE A 12 2.720 -6.555 14.784 1.00 15.32 H new ATOM 0 HZ PHE A 12 2.714 -8.960 15.303 1.00 45.01 H new ATOM 201 N ILE A 13 -0.905 -4.716 11.223 1.00 25.34 N ATOM 202 CA ILE A 13 0.133 -4.006 10.436 1.00 54.14 C ATOM 203 C ILE A 13 0.968 -3.098 11.357 1.00 42.41 C ATOM 204 O ILE A 13 0.430 -2.454 12.262 1.00 42.41 O ATOM 205 CB ILE A 13 -0.511 -3.143 9.282 1.00 75.54 C ATOM 206 CG1 ILE A 13 -1.405 -4.030 8.364 1.00 32.14 C ATOM 207 CG2 ILE A 13 0.562 -2.378 8.446 1.00 74.54 C ATOM 208 CD1 ILE A 13 -2.151 -3.265 7.293 1.00 30.34 C ATOM 0 H ILE A 13 -1.576 -4.091 11.670 1.00 25.34 H new ATOM 0 HA ILE A 13 0.779 -4.758 9.982 1.00 54.14 H new ATOM 0 HB ILE A 13 -1.140 -2.389 9.756 1.00 75.54 H new ATOM 0 HG12 ILE A 13 -0.779 -4.784 7.886 1.00 32.14 H new ATOM 0 HG13 ILE A 13 -2.127 -4.561 8.984 1.00 32.14 H new ATOM 0 HG21 ILE A 13 0.070 -1.799 7.665 1.00 74.54 H new ATOM 0 HG22 ILE A 13 1.120 -1.706 9.098 1.00 74.54 H new ATOM 0 HG23 ILE A 13 1.246 -3.094 7.990 1.00 74.54 H new ATOM 0 HD11 ILE A 13 -2.748 -3.958 6.700 1.00 30.34 H new ATOM 0 HD12 ILE A 13 -2.806 -2.530 7.760 1.00 30.34 H new ATOM 0 HD13 ILE A 13 -1.437 -2.756 6.646 1.00 30.34 H new ATOM 220 N GLN A 14 2.284 -3.071 11.113 1.00 44.33 N ATOM 221 CA GLN A 14 3.225 -2.131 11.751 1.00 44.41 C ATOM 222 C GLN A 14 3.786 -1.186 10.670 1.00 30.34 C ATOM 223 O GLN A 14 3.858 -1.558 9.498 1.00 53.03 O ATOM 224 CB GLN A 14 4.359 -2.916 12.473 1.00 23.22 C ATOM 225 CG GLN A 14 5.136 -3.898 11.567 1.00 2.34 C ATOM 226 CD GLN A 14 6.242 -4.676 12.292 1.00 75.21 C ATOM 227 OE1 GLN A 14 6.844 -4.188 13.248 1.00 5.11 O ATOM 228 NE2 GLN A 14 6.533 -5.882 11.834 1.00 64.43 N ATOM 0 H GLN A 14 2.735 -3.709 10.458 1.00 44.33 H new ATOM 0 HA GLN A 14 2.713 -1.535 12.506 1.00 44.41 H new ATOM 0 HB2 GLN A 14 5.063 -2.202 12.901 1.00 23.22 H new ATOM 0 HB3 GLN A 14 3.926 -3.473 13.304 1.00 23.22 H new ATOM 0 HG2 GLN A 14 4.433 -4.608 11.131 1.00 2.34 H new ATOM 0 HG3 GLN A 14 5.579 -3.341 10.742 1.00 2.34 H new ATOM 0 HE21 GLN A 14 6.019 -6.264 11.040 1.00 64.43 H new ATOM 0 HE22 GLN A 14 7.271 -6.430 12.275 1.00 64.43 H new ATOM 237 N THR A 15 4.171 0.039 11.059 1.00 24.30 N ATOM 238 CA THR A 15 4.663 1.059 10.107 1.00 75.12 C ATOM 239 C THR A 15 6.132 1.401 10.390 1.00 12.41 C ATOM 240 O THR A 15 6.552 1.471 11.552 1.00 72.43 O ATOM 241 CB THR A 15 3.796 2.360 10.163 1.00 22.42 C ATOM 242 OG1 THR A 15 3.766 2.879 11.504 1.00 22.21 O ATOM 243 CG2 THR A 15 2.352 2.126 9.667 1.00 1.32 C ATOM 0 H THR A 15 4.153 0.353 12.029 1.00 24.30 H new ATOM 0 HA THR A 15 4.581 0.636 9.106 1.00 75.12 H new ATOM 0 HB THR A 15 4.263 3.083 9.494 1.00 22.42 H new ATOM 0 HG1 THR A 15 3.222 3.694 11.527 1.00 22.21 H new ATOM 0 HG21 THR A 15 1.791 3.059 9.726 1.00 1.32 H new ATOM 0 HG22 THR A 15 2.374 1.780 8.634 1.00 1.32 H new ATOM 0 HG23 THR A 15 1.870 1.373 10.291 1.00 1.32 H new ATOM 251 N GLN A 16 6.911 1.610 9.320 1.00 21.30 N ATOM 252 CA GLN A 16 8.304 2.042 9.403 1.00 4.22 C ATOM 253 C GLN A 16 8.414 3.405 8.718 1.00 24.23 C ATOM 254 O GLN A 16 7.935 3.570 7.582 1.00 32.50 O ATOM 255 CB GLN A 16 9.241 1.000 8.733 1.00 54.42 C ATOM 256 CG GLN A 16 10.747 1.299 8.866 1.00 30.04 C ATOM 257 CD GLN A 16 11.208 1.447 10.319 1.00 60.15 C ATOM 258 OE1 GLN A 16 11.232 2.549 10.872 1.00 0.00 O ATOM 259 NE2 GLN A 16 11.536 0.335 10.957 1.00 2.34 N ATOM 0 H GLN A 16 6.583 1.481 8.363 1.00 21.30 H new ATOM 0 HA GLN A 16 8.614 2.126 10.445 1.00 4.22 H new ATOM 0 HB2 GLN A 16 9.040 0.021 9.168 1.00 54.42 H new ATOM 0 HB3 GLN A 16 8.991 0.936 7.674 1.00 54.42 H new ATOM 0 HG2 GLN A 16 11.313 0.497 8.392 1.00 30.04 H new ATOM 0 HG3 GLN A 16 10.978 2.216 8.323 1.00 30.04 H new ATOM 0 HE21 GLN A 16 11.505 -0.561 10.470 1.00 2.34 H new ATOM 0 HE22 GLN A 16 11.819 0.373 11.936 1.00 2.34 H new ATOM 268 N ASP A 17 9.036 4.371 9.413 1.00 14.21 N ATOM 269 CA ASP A 17 9.188 5.750 8.929 1.00 5.20 C ATOM 270 C ASP A 17 10.109 5.792 7.704 1.00 62.02 C ATOM 271 O ASP A 17 10.989 4.936 7.545 1.00 74.20 O ATOM 272 CB ASP A 17 9.741 6.660 10.052 1.00 32.30 C ATOM 273 CG ASP A 17 8.786 6.770 11.253 1.00 40.15 C ATOM 274 OD1 ASP A 17 8.776 5.846 12.106 1.00 64.34 O ATOM 275 OD2 ASP A 17 8.034 7.769 11.348 1.00 12.21 O ATOM 0 H ASP A 17 9.450 4.215 10.332 1.00 14.21 H new ATOM 0 HA ASP A 17 8.206 6.121 8.635 1.00 5.20 H new ATOM 0 HB2 ASP A 17 10.700 6.269 10.391 1.00 32.30 H new ATOM 0 HB3 ASP A 17 9.927 7.655 9.649 1.00 32.30 H new ATOM 280 N THR A 18 9.890 6.791 6.853 1.00 73.11 N ATOM 281 CA THR A 18 10.606 6.973 5.587 1.00 12.01 C ATOM 282 C THR A 18 11.167 8.417 5.533 1.00 60.25 C ATOM 283 O THR A 18 10.584 9.314 6.161 1.00 73.03 O ATOM 284 CB THR A 18 9.632 6.718 4.390 1.00 72.45 C ATOM 285 OG1 THR A 18 8.433 7.466 4.588 1.00 15.23 O ATOM 286 CG2 THR A 18 9.271 5.232 4.226 1.00 32.20 C ATOM 0 H THR A 18 9.193 7.516 7.026 1.00 73.11 H new ATOM 0 HA THR A 18 11.431 6.264 5.517 1.00 12.01 H new ATOM 0 HB THR A 18 10.146 7.035 3.483 1.00 72.45 H new ATOM 0 HG1 THR A 18 8.532 8.355 4.187 1.00 15.23 H new ATOM 0 HG21 THR A 18 8.593 5.113 3.381 1.00 32.20 H new ATOM 0 HG22 THR A 18 10.178 4.655 4.047 1.00 32.20 H new ATOM 0 HG23 THR A 18 8.786 4.873 5.134 1.00 32.20 H new ATOM 294 N PRO A 19 12.299 8.678 4.792 1.00 32.34 N ATOM 295 CA PRO A 19 12.903 10.035 4.700 1.00 31.35 C ATOM 296 C PRO A 19 11.988 11.048 3.974 1.00 75.21 C ATOM 297 O PRO A 19 12.121 12.260 4.176 1.00 44.32 O ATOM 298 CB PRO A 19 14.230 9.789 3.938 1.00 72.04 C ATOM 299 CG PRO A 19 13.991 8.534 3.148 1.00 61.44 C ATOM 300 CD PRO A 19 13.090 7.680 4.013 1.00 11.43 C ATOM 0 HA PRO A 19 13.057 10.487 5.680 1.00 31.35 H new ATOM 0 HB2 PRO A 19 14.473 10.627 3.285 1.00 72.04 H new ATOM 0 HB3 PRO A 19 15.066 9.670 4.627 1.00 72.04 H new ATOM 0 HG2 PRO A 19 13.520 8.756 2.190 1.00 61.44 H new ATOM 0 HG3 PRO A 19 14.928 8.022 2.931 1.00 61.44 H new ATOM 0 HD2 PRO A 19 12.445 7.040 3.410 1.00 11.43 H new ATOM 0 HD3 PRO A 19 13.666 7.026 4.668 1.00 11.43 H new ATOM 308 N ASN A 20 11.059 10.526 3.153 1.00 44.24 N ATOM 309 CA ASN A 20 10.051 11.329 2.435 1.00 63.24 C ATOM 310 C ASN A 20 8.741 11.371 3.257 1.00 74.11 C ATOM 311 O ASN A 20 8.154 10.312 3.494 1.00 1.11 O ATOM 312 CB ASN A 20 9.777 10.717 1.033 1.00 65.55 C ATOM 313 CG ASN A 20 11.029 10.664 0.152 1.00 44.52 C ATOM 314 OD1 ASN A 20 11.905 11.524 0.241 1.00 73.01 O ATOM 315 ND2 ASN A 20 11.126 9.661 -0.705 1.00 75.41 N ATOM 0 H ASN A 20 10.986 9.526 2.967 1.00 44.24 H new ATOM 0 HA ASN A 20 10.429 12.343 2.306 1.00 63.24 H new ATOM 0 HB2 ASN A 20 9.380 9.709 1.153 1.00 65.55 H new ATOM 0 HB3 ASN A 20 9.009 11.304 0.529 1.00 65.55 H new ATOM 0 HD21 ASN A 20 11.942 9.587 -1.313 1.00 75.41 H new ATOM 0 HD22 ASN A 20 10.385 8.962 -0.758 1.00 75.41 H new ATOM 322 N PRO A 21 8.286 12.578 3.746 1.00 2.41 N ATOM 323 CA PRO A 21 6.969 12.737 4.451 1.00 51.55 C ATOM 324 C PRO A 21 5.738 12.313 3.605 1.00 73.03 C ATOM 325 O PRO A 21 4.691 11.946 4.170 1.00 15.15 O ATOM 326 CB PRO A 21 6.925 14.252 4.795 1.00 50.40 C ATOM 327 CG PRO A 21 8.365 14.675 4.815 1.00 2.12 C ATOM 328 CD PRO A 21 9.038 13.869 3.727 1.00 10.53 C ATOM 0 HA PRO A 21 6.908 12.083 5.321 1.00 51.55 H new ATOM 0 HB2 PRO A 21 6.357 14.811 4.051 1.00 50.40 H new ATOM 0 HB3 PRO A 21 6.447 14.426 5.759 1.00 50.40 H new ATOM 0 HG2 PRO A 21 8.462 15.744 4.628 1.00 2.12 H new ATOM 0 HG3 PRO A 21 8.818 14.478 5.787 1.00 2.12 H new ATOM 0 HD2 PRO A 21 8.967 14.362 2.758 1.00 10.53 H new ATOM 0 HD3 PRO A 21 10.098 13.721 3.932 1.00 10.53 H new ATOM 336 N ASN A 22 5.865 12.387 2.256 1.00 53.41 N ATOM 337 CA ASN A 22 4.820 11.894 1.314 1.00 14.05 C ATOM 338 C ASN A 22 4.660 10.367 1.408 1.00 72.03 C ATOM 339 O ASN A 22 3.581 9.844 1.160 1.00 74.11 O ATOM 340 CB ASN A 22 5.111 12.308 -0.179 1.00 1.31 C ATOM 341 CG ASN A 22 4.462 13.638 -0.608 1.00 14.20 C ATOM 342 OD1 ASN A 22 3.407 14.022 -0.113 1.00 53.42 O ATOM 343 ND2 ASN A 22 5.067 14.331 -1.554 1.00 13.40 N ATOM 0 H ASN A 22 6.682 12.784 1.792 1.00 53.41 H new ATOM 0 HA ASN A 22 3.888 12.370 1.617 1.00 14.05 H new ATOM 0 HB2 ASN A 22 6.189 12.382 -0.319 1.00 1.31 H new ATOM 0 HB3 ASN A 22 4.757 11.516 -0.839 1.00 1.31 H new ATOM 0 HD21 ASN A 22 4.658 15.204 -1.887 1.00 13.40 H new ATOM 0 HD22 ASN A 22 5.943 13.994 -1.952 1.00 13.40 H new ATOM 350 N SER A 23 5.740 9.662 1.760 1.00 55.12 N ATOM 351 CA SER A 23 5.742 8.192 1.836 1.00 21.40 C ATOM 352 C SER A 23 5.648 7.710 3.299 1.00 21.44 C ATOM 353 O SER A 23 5.923 8.470 4.238 1.00 34.31 O ATOM 354 CB SER A 23 7.016 7.650 1.142 1.00 52.14 C ATOM 355 OG SER A 23 7.080 8.076 -0.216 1.00 63.20 O ATOM 0 H SER A 23 6.635 10.089 2.000 1.00 55.12 H new ATOM 0 HA SER A 23 4.865 7.804 1.319 1.00 21.40 H new ATOM 0 HB2 SER A 23 7.901 7.996 1.677 1.00 52.14 H new ATOM 0 HB3 SER A 23 7.022 6.561 1.186 1.00 52.14 H new ATOM 0 HG SER A 23 6.343 7.673 -0.720 1.00 63.20 H new ATOM 361 N LEU A 24 5.129 6.487 3.464 1.00 34.34 N ATOM 362 CA LEU A 24 5.246 5.703 4.707 1.00 60.41 C ATOM 363 C LEU A 24 5.232 4.217 4.352 1.00 12.02 C ATOM 364 O LEU A 24 4.418 3.795 3.525 1.00 52.51 O ATOM 365 CB LEU A 24 4.084 6.029 5.684 1.00 44.01 C ATOM 366 CG LEU A 24 4.082 5.276 7.053 1.00 61.21 C ATOM 367 CD1 LEU A 24 5.314 5.636 7.912 1.00 52.11 C ATOM 368 CD2 LEU A 24 2.770 5.543 7.811 1.00 1.04 C ATOM 0 H LEU A 24 4.609 6.005 2.731 1.00 34.34 H new ATOM 0 HA LEU A 24 6.181 5.961 5.205 1.00 60.41 H new ATOM 0 HB2 LEU A 24 4.100 7.100 5.886 1.00 44.01 H new ATOM 0 HB3 LEU A 24 3.143 5.814 5.177 1.00 44.01 H new ATOM 0 HG LEU A 24 4.147 4.208 6.845 1.00 61.21 H new ATOM 0 HD11 LEU A 24 5.272 5.090 8.855 1.00 52.11 H new ATOM 0 HD12 LEU A 24 6.223 5.365 7.376 1.00 52.11 H new ATOM 0 HD13 LEU A 24 5.317 6.707 8.113 1.00 52.11 H new ATOM 0 HD21 LEU A 24 2.785 5.011 8.762 1.00 1.04 H new ATOM 0 HD22 LEU A 24 2.667 6.612 7.995 1.00 1.04 H new ATOM 0 HD23 LEU A 24 1.927 5.195 7.214 1.00 1.04 H new ATOM 380 N LYS A 25 6.139 3.428 4.956 1.00 30.11 N ATOM 381 CA LYS A 25 6.180 1.978 4.744 1.00 64.15 C ATOM 382 C LYS A 25 5.227 1.287 5.736 1.00 40.34 C ATOM 383 O LYS A 25 5.240 1.576 6.929 1.00 51.21 O ATOM 384 CB LYS A 25 7.630 1.424 4.870 1.00 71.14 C ATOM 385 CG LYS A 25 7.759 -0.096 4.563 1.00 73.41 C ATOM 386 CD LYS A 25 9.222 -0.628 4.559 1.00 22.10 C ATOM 387 CE LYS A 25 10.026 -0.261 3.288 1.00 34.44 C ATOM 388 NZ LYS A 25 10.318 1.197 3.170 1.00 62.31 N ATOM 0 H LYS A 25 6.853 3.776 5.596 1.00 30.11 H new ATOM 0 HA LYS A 25 5.848 1.763 3.728 1.00 64.15 H new ATOM 0 HB2 LYS A 25 8.279 1.977 4.191 1.00 71.14 H new ATOM 0 HB3 LYS A 25 7.992 1.612 5.881 1.00 71.14 H new ATOM 0 HG2 LYS A 25 7.184 -0.654 5.302 1.00 73.41 H new ATOM 0 HG3 LYS A 25 7.309 -0.298 3.591 1.00 73.41 H new ATOM 0 HD2 LYS A 25 9.743 -0.234 5.432 1.00 22.10 H new ATOM 0 HD3 LYS A 25 9.203 -1.713 4.663 1.00 22.10 H new ATOM 0 HE2 LYS A 25 10.966 -0.813 3.290 1.00 34.44 H new ATOM 0 HE3 LYS A 25 9.469 -0.584 2.409 1.00 34.44 H new ATOM 0 HZ1 LYS A 25 11.205 1.332 2.643 1.00 62.31 H new ATOM 0 HZ2 LYS A 25 9.540 1.667 2.664 1.00 62.31 H new ATOM 0 HZ3 LYS A 25 10.413 1.610 4.120 1.00 62.31 H new ATOM 402 N PHE A 26 4.383 0.411 5.203 1.00 54.01 N ATOM 403 CA PHE A 26 3.455 -0.431 5.960 1.00 24.41 C ATOM 404 C PHE A 26 3.933 -1.883 5.820 1.00 51.34 C ATOM 405 O PHE A 26 3.833 -2.466 4.729 1.00 71.02 O ATOM 406 CB PHE A 26 2.007 -0.283 5.388 1.00 64.45 C ATOM 407 CG PHE A 26 1.391 1.124 5.519 1.00 51.22 C ATOM 408 CD1 PHE A 26 1.721 2.147 4.623 1.00 63.02 C ATOM 409 CD2 PHE A 26 0.482 1.421 6.540 1.00 0.53 C ATOM 410 CE1 PHE A 26 1.164 3.413 4.747 1.00 0.34 C ATOM 411 CE2 PHE A 26 -0.071 2.689 6.661 1.00 4.21 C ATOM 412 CZ PHE A 26 0.273 3.683 5.762 1.00 64.21 C ATOM 0 H PHE A 26 4.321 0.260 4.196 1.00 54.01 H new ATOM 0 HA PHE A 26 3.434 -0.134 7.008 1.00 24.41 H new ATOM 0 HB2 PHE A 26 2.020 -0.560 4.334 1.00 64.45 H new ATOM 0 HB3 PHE A 26 1.358 -0.995 5.897 1.00 64.45 H new ATOM 0 HD1 PHE A 26 2.419 1.949 3.823 1.00 63.02 H new ATOM 0 HD2 PHE A 26 0.206 0.652 7.246 1.00 0.53 H new ATOM 0 HE1 PHE A 26 1.431 4.189 4.045 1.00 0.34 H new ATOM 0 HE2 PHE A 26 -0.770 2.899 7.457 1.00 4.21 H new ATOM 0 HZ PHE A 26 -0.157 4.669 5.856 1.00 64.21 H new ATOM 422 N ILE A 27 4.513 -2.449 6.892 1.00 55.35 N ATOM 423 CA ILE A 27 4.883 -3.873 6.936 1.00 1.32 C ATOM 424 C ILE A 27 3.617 -4.663 7.344 1.00 41.04 C ATOM 425 O ILE A 27 3.169 -4.543 8.491 1.00 64.12 O ATOM 426 CB ILE A 27 6.072 -4.200 7.943 1.00 34.12 C ATOM 427 CG1 ILE A 27 7.397 -3.436 7.577 1.00 53.55 C ATOM 428 CG2 ILE A 27 6.332 -5.737 8.025 1.00 12.03 C ATOM 429 CD1 ILE A 27 7.398 -1.946 7.892 1.00 45.12 C ATOM 0 H ILE A 27 4.737 -1.937 7.745 1.00 55.35 H new ATOM 0 HA ILE A 27 5.250 -4.159 5.950 1.00 1.32 H new ATOM 0 HB ILE A 27 5.755 -3.846 8.924 1.00 34.12 H new ATOM 0 HG12 ILE A 27 8.225 -3.904 8.109 1.00 53.55 H new ATOM 0 HG13 ILE A 27 7.589 -3.565 6.512 1.00 53.55 H new ATOM 0 HG21 ILE A 27 7.149 -5.931 8.720 1.00 12.03 H new ATOM 0 HG22 ILE A 27 5.431 -6.240 8.375 1.00 12.03 H new ATOM 0 HG23 ILE A 27 6.598 -6.114 7.038 1.00 12.03 H new ATOM 0 HD11 ILE A 27 8.356 -1.513 7.602 1.00 45.12 H new ATOM 0 HD12 ILE A 27 6.596 -1.457 7.339 1.00 45.12 H new ATOM 0 HD13 ILE A 27 7.243 -1.800 8.961 1.00 45.12 H new ATOM 441 N PRO A 28 3.009 -5.460 6.409 1.00 72.04 N ATOM 442 CA PRO A 28 1.730 -6.184 6.664 1.00 21.30 C ATOM 443 C PRO A 28 1.879 -7.336 7.683 1.00 31.43 C ATOM 444 O PRO A 28 0.886 -7.847 8.211 1.00 3.12 O ATOM 445 CB PRO A 28 1.334 -6.715 5.247 1.00 44.42 C ATOM 446 CG PRO A 28 2.220 -5.980 4.280 1.00 23.55 C ATOM 447 CD PRO A 28 3.501 -5.734 5.029 1.00 33.11 C ATOM 0 HA PRO A 28 0.976 -5.538 7.113 1.00 21.30 H new ATOM 0 HB2 PRO A 28 1.484 -7.792 5.176 1.00 44.42 H new ATOM 0 HB3 PRO A 28 0.281 -6.525 5.037 1.00 44.42 H new ATOM 0 HG2 PRO A 28 2.397 -6.570 3.381 1.00 23.55 H new ATOM 0 HG3 PRO A 28 1.764 -5.043 3.962 1.00 23.55 H new ATOM 0 HD2 PRO A 28 4.164 -6.598 4.997 1.00 33.11 H new ATOM 0 HD3 PRO A 28 4.057 -4.890 4.620 1.00 33.11 H new ATOM 455 N GLY A 29 3.142 -7.724 7.952 1.00 1.45 N ATOM 456 CA GLY A 29 3.444 -8.913 8.744 1.00 1.13 C ATOM 457 C GLY A 29 3.273 -10.194 7.938 1.00 40.23 C ATOM 458 O GLY A 29 3.266 -11.296 8.503 1.00 12.41 O ATOM 0 H GLY A 29 3.967 -7.221 7.626 1.00 1.45 H new ATOM 0 HA2 GLY A 29 4.467 -8.852 9.114 1.00 1.13 H new ATOM 0 HA3 GLY A 29 2.791 -8.943 9.616 1.00 1.13 H new ATOM 462 N LYS A 30 3.138 -10.032 6.601 1.00 64.10 N ATOM 463 CA LYS A 30 2.871 -11.123 5.646 1.00 2.31 C ATOM 464 C LYS A 30 3.643 -10.876 4.325 1.00 3.24 C ATOM 465 O LYS A 30 3.906 -9.714 3.973 1.00 22.42 O ATOM 466 CB LYS A 30 1.333 -11.238 5.376 1.00 63.34 C ATOM 467 CG LYS A 30 0.524 -11.844 6.550 1.00 15.42 C ATOM 468 CD LYS A 30 -0.974 -12.031 6.226 1.00 54.14 C ATOM 469 CE LYS A 30 -1.704 -12.855 7.293 1.00 22.21 C ATOM 470 NZ LYS A 30 -1.127 -14.225 7.419 1.00 55.10 N ATOM 0 H LYS A 30 3.214 -9.120 6.151 1.00 64.10 H new ATOM 0 HA LYS A 30 3.216 -12.064 6.075 1.00 2.31 H new ATOM 0 HB2 LYS A 30 0.940 -10.246 5.153 1.00 63.34 H new ATOM 0 HB3 LYS A 30 1.177 -11.850 4.488 1.00 63.34 H new ATOM 0 HG2 LYS A 30 0.954 -12.809 6.819 1.00 15.42 H new ATOM 0 HG3 LYS A 30 0.622 -11.197 7.422 1.00 15.42 H new ATOM 0 HD2 LYS A 30 -1.449 -11.054 6.138 1.00 54.14 H new ATOM 0 HD3 LYS A 30 -1.075 -12.523 5.259 1.00 54.14 H new ATOM 0 HE2 LYS A 30 -1.642 -12.344 8.254 1.00 22.21 H new ATOM 0 HE3 LYS A 30 -2.761 -12.927 7.038 1.00 22.21 H new ATOM 0 HZ1 LYS A 30 -1.813 -14.849 7.890 1.00 55.10 H new ATOM 0 HZ2 LYS A 30 -0.911 -14.599 6.473 1.00 55.10 H new ATOM 0 HZ3 LYS A 30 -0.254 -14.183 7.982 1.00 55.10 H new ATOM 484 N PRO A 31 4.042 -11.973 3.588 1.00 33.30 N ATOM 485 CA PRO A 31 4.741 -11.862 2.285 1.00 45.24 C ATOM 486 C PRO A 31 3.866 -11.189 1.203 1.00 22.24 C ATOM 487 O PRO A 31 2.677 -11.513 1.066 1.00 74.41 O ATOM 488 CB PRO A 31 5.077 -13.341 1.919 1.00 33.14 C ATOM 489 CG PRO A 31 4.102 -14.163 2.703 1.00 63.21 C ATOM 490 CD PRO A 31 3.883 -13.403 3.992 1.00 31.14 C ATOM 0 HA PRO A 31 5.627 -11.229 2.345 1.00 45.24 H new ATOM 0 HB2 PRO A 31 4.971 -13.517 0.849 1.00 33.14 H new ATOM 0 HB3 PRO A 31 6.105 -13.589 2.183 1.00 33.14 H new ATOM 0 HG2 PRO A 31 3.167 -14.290 2.158 1.00 63.21 H new ATOM 0 HG3 PRO A 31 4.496 -15.161 2.897 1.00 63.21 H new ATOM 0 HD2 PRO A 31 2.894 -13.595 4.407 1.00 31.14 H new ATOM 0 HD3 PRO A 31 4.609 -13.688 4.754 1.00 31.14 H new ATOM 498 N VAL A 32 4.458 -10.234 0.449 1.00 24.50 N ATOM 499 CA VAL A 32 3.759 -9.531 -0.648 1.00 53.22 C ATOM 500 C VAL A 32 4.548 -9.678 -1.971 1.00 63.51 C ATOM 501 O VAL A 32 3.952 -9.959 -3.022 1.00 62.42 O ATOM 502 CB VAL A 32 3.450 -7.997 -0.331 1.00 5.14 C ATOM 503 CG1 VAL A 32 2.777 -7.828 1.047 1.00 65.32 C ATOM 504 CG2 VAL A 32 4.684 -7.070 -0.465 1.00 23.23 C ATOM 0 H VAL A 32 5.423 -9.933 0.583 1.00 24.50 H new ATOM 0 HA VAL A 32 2.787 -10.012 -0.753 1.00 53.22 H new ATOM 0 HB VAL A 32 2.748 -7.677 -1.101 1.00 5.14 H new ATOM 0 HG11 VAL A 32 2.581 -6.771 1.229 1.00 65.32 H new ATOM 0 HG12 VAL A 32 1.837 -8.379 1.063 1.00 65.32 H new ATOM 0 HG13 VAL A 32 3.437 -8.214 1.824 1.00 65.32 H new ATOM 0 HG21 VAL A 32 4.395 -6.045 -0.234 1.00 23.23 H new ATOM 0 HG22 VAL A 32 5.459 -7.394 0.229 1.00 23.23 H new ATOM 0 HG23 VAL A 32 5.067 -7.119 -1.484 1.00 23.23 H new ATOM 514 N LEU A 33 5.890 -9.562 -1.908 1.00 50.25 N ATOM 515 CA LEU A 33 6.741 -9.520 -3.121 1.00 70.42 C ATOM 516 C LEU A 33 8.204 -9.890 -2.803 1.00 3.24 C ATOM 517 O LEU A 33 9.111 -9.070 -2.977 1.00 51.45 O ATOM 518 CB LEU A 33 6.655 -8.116 -3.843 1.00 25.53 C ATOM 519 CG LEU A 33 5.666 -7.989 -5.052 1.00 32.24 C ATOM 520 CD1 LEU A 33 5.939 -6.703 -5.862 1.00 51.22 C ATOM 521 CD2 LEU A 33 5.716 -9.244 -5.957 1.00 45.31 C ATOM 0 H LEU A 33 6.410 -9.496 -1.033 1.00 50.25 H new ATOM 0 HA LEU A 33 6.353 -10.271 -3.809 1.00 70.42 H new ATOM 0 HB2 LEU A 33 6.375 -7.370 -3.099 1.00 25.53 H new ATOM 0 HB3 LEU A 33 7.653 -7.856 -4.195 1.00 25.53 H new ATOM 0 HG LEU A 33 4.657 -7.918 -4.646 1.00 32.24 H new ATOM 0 HD11 LEU A 33 5.238 -6.642 -6.694 1.00 51.22 H new ATOM 0 HD12 LEU A 33 5.814 -5.833 -5.217 1.00 51.22 H new ATOM 0 HD13 LEU A 33 6.958 -6.725 -6.247 1.00 51.22 H new ATOM 0 HD21 LEU A 33 5.018 -9.123 -6.786 1.00 45.31 H new ATOM 0 HD22 LEU A 33 6.726 -9.371 -6.348 1.00 45.31 H new ATOM 0 HD23 LEU A 33 5.439 -10.123 -5.375 1.00 45.31 H new ATOM 533 N GLU A 34 8.423 -11.126 -2.349 1.00 33.54 N ATOM 534 CA GLU A 34 9.782 -11.694 -2.204 1.00 4.14 C ATOM 535 C GLU A 34 10.460 -11.852 -3.585 1.00 75.03 C ATOM 536 O GLU A 34 11.675 -11.634 -3.725 1.00 5.44 O ATOM 537 CB GLU A 34 9.718 -13.073 -1.491 1.00 11.22 C ATOM 538 CG GLU A 34 11.097 -13.739 -1.258 1.00 72.14 C ATOM 539 CD GLU A 34 11.005 -15.140 -0.636 1.00 11.54 C ATOM 540 OE1 GLU A 34 10.950 -15.251 0.608 1.00 53.12 O ATOM 541 OE2 GLU A 34 10.973 -16.139 -1.392 1.00 25.42 O ATOM 0 H GLU A 34 7.676 -11.763 -2.071 1.00 33.54 H new ATOM 0 HA GLU A 34 10.374 -11.006 -1.600 1.00 4.14 H new ATOM 0 HB2 GLU A 34 9.222 -12.948 -0.529 1.00 11.22 H new ATOM 0 HB3 GLU A 34 9.099 -13.746 -2.084 1.00 11.22 H new ATOM 0 HG2 GLU A 34 11.624 -13.807 -2.210 1.00 72.14 H new ATOM 0 HG3 GLU A 34 11.695 -13.100 -0.608 1.00 72.14 H new ATOM 548 N THR A 35 9.646 -12.221 -4.594 1.00 11.13 N ATOM 549 CA THR A 35 10.117 -12.570 -5.944 1.00 10.34 C ATOM 550 C THR A 35 10.703 -11.349 -6.686 1.00 5.43 C ATOM 551 O THR A 35 11.799 -11.422 -7.259 1.00 35.10 O ATOM 552 CB THR A 35 8.953 -13.197 -6.785 1.00 73.41 C ATOM 553 OG1 THR A 35 8.242 -14.170 -5.995 1.00 70.45 O ATOM 554 CG2 THR A 35 9.461 -13.876 -8.071 1.00 14.33 C ATOM 0 H THR A 35 8.633 -12.285 -4.491 1.00 11.13 H new ATOM 0 HA THR A 35 10.915 -13.303 -5.827 1.00 10.34 H new ATOM 0 HB THR A 35 8.291 -12.379 -7.071 1.00 73.41 H new ATOM 0 HG1 THR A 35 7.515 -14.556 -6.527 1.00 70.45 H new ATOM 0 HG21 THR A 35 8.617 -14.295 -8.619 1.00 14.33 H new ATOM 0 HG22 THR A 35 9.969 -13.140 -8.694 1.00 14.33 H new ATOM 0 HG23 THR A 35 10.157 -14.674 -7.811 1.00 14.33 H new ATOM 562 N ARG A 36 9.978 -10.218 -6.637 1.00 0.12 N ATOM 563 CA ARG A 36 10.314 -9.011 -7.417 1.00 73.01 C ATOM 564 C ARG A 36 9.886 -7.743 -6.667 1.00 43.42 C ATOM 565 O ARG A 36 9.279 -7.820 -5.607 1.00 71.45 O ATOM 566 CB ARG A 36 9.622 -9.077 -8.810 1.00 61.22 C ATOM 567 CG ARG A 36 8.076 -9.112 -8.770 1.00 52.52 C ATOM 568 CD ARG A 36 7.434 -9.190 -10.167 1.00 74.22 C ATOM 569 NE ARG A 36 7.735 -8.003 -10.999 1.00 62.32 N ATOM 570 CZ ARG A 36 7.690 -7.962 -12.347 1.00 15.40 C ATOM 571 NH1 ARG A 36 7.365 -9.044 -13.063 1.00 14.22 N ATOM 572 NH2 ARG A 36 7.954 -6.819 -12.971 1.00 70.33 N ATOM 0 H ARG A 36 9.145 -10.113 -6.058 1.00 0.12 H new ATOM 0 HA ARG A 36 11.394 -8.973 -7.556 1.00 73.01 H new ATOM 0 HB2 ARG A 36 9.936 -8.213 -9.396 1.00 61.22 H new ATOM 0 HB3 ARG A 36 9.977 -9.964 -9.334 1.00 61.22 H new ATOM 0 HG2 ARG A 36 7.754 -9.971 -8.181 1.00 52.52 H new ATOM 0 HG3 ARG A 36 7.712 -8.220 -8.259 1.00 52.52 H new ATOM 0 HD2 ARG A 36 7.789 -10.086 -10.677 1.00 74.22 H new ATOM 0 HD3 ARG A 36 6.354 -9.291 -10.061 1.00 74.22 H new ATOM 0 HE ARG A 36 7.998 -7.146 -10.513 1.00 62.32 H new ATOM 0 HH11 ARG A 36 7.145 -9.921 -12.591 1.00 14.22 H new ATOM 0 HH12 ARG A 36 7.337 -8.992 -14.081 1.00 14.22 H new ATOM 0 HH21 ARG A 36 8.187 -5.985 -12.431 1.00 70.33 H new ATOM 0 HH22 ARG A 36 7.923 -6.775 -13.990 1.00 70.33 H new ATOM 586 N THR A 37 10.240 -6.578 -7.223 1.00 14.55 N ATOM 587 CA THR A 37 9.715 -5.273 -6.775 1.00 70.23 C ATOM 588 C THR A 37 8.855 -4.668 -7.895 1.00 71.24 C ATOM 589 O THR A 37 9.125 -4.898 -9.081 1.00 13.31 O ATOM 590 CB THR A 37 10.874 -4.293 -6.395 1.00 13.22 C ATOM 591 OG1 THR A 37 11.814 -4.197 -7.475 1.00 72.21 O ATOM 592 CG2 THR A 37 11.618 -4.741 -5.133 1.00 62.53 C ATOM 0 H THR A 37 10.900 -6.509 -7.998 1.00 14.55 H new ATOM 0 HA THR A 37 9.109 -5.427 -5.882 1.00 70.23 H new ATOM 0 HB THR A 37 10.418 -3.322 -6.199 1.00 13.22 H new ATOM 0 HG1 THR A 37 12.534 -3.580 -7.228 1.00 72.21 H new ATOM 0 HG21 THR A 37 12.413 -4.031 -4.908 1.00 62.53 H new ATOM 0 HG22 THR A 37 10.921 -4.783 -4.296 1.00 62.53 H new ATOM 0 HG23 THR A 37 12.049 -5.729 -5.296 1.00 62.53 H new ATOM 600 N MET A 38 7.824 -3.897 -7.511 1.00 45.00 N ATOM 601 CA MET A 38 6.899 -3.231 -8.444 1.00 40.03 C ATOM 602 C MET A 38 6.457 -1.905 -7.817 1.00 13.12 C ATOM 603 O MET A 38 6.262 -1.816 -6.602 1.00 55.44 O ATOM 604 CB MET A 38 5.642 -4.111 -8.788 1.00 63.35 C ATOM 605 CG MET A 38 5.923 -5.386 -9.608 1.00 21.01 C ATOM 606 SD MET A 38 4.432 -6.177 -10.271 1.00 11.52 S ATOM 607 CE MET A 38 3.501 -6.597 -8.796 1.00 25.04 C ATOM 0 H MET A 38 7.607 -3.716 -6.531 1.00 45.00 H new ATOM 0 HA MET A 38 7.424 -3.064 -9.385 1.00 40.03 H new ATOM 0 HB2 MET A 38 5.158 -4.400 -7.855 1.00 63.35 H new ATOM 0 HB3 MET A 38 4.931 -3.496 -9.339 1.00 63.35 H new ATOM 0 HG2 MET A 38 6.588 -5.135 -10.435 1.00 21.01 H new ATOM 0 HG3 MET A 38 6.453 -6.101 -8.979 1.00 21.01 H new ATOM 0 HE1 MET A 38 2.473 -6.836 -9.070 1.00 25.04 H new ATOM 0 HE2 MET A 38 3.957 -7.460 -8.311 1.00 25.04 H new ATOM 0 HE3 MET A 38 3.506 -5.751 -8.109 1.00 25.04 H new ATOM 617 N ASP A 39 6.320 -0.884 -8.656 1.00 3.00 N ATOM 618 CA ASP A 39 5.771 0.418 -8.260 1.00 75.40 C ATOM 619 C ASP A 39 4.630 0.748 -9.202 1.00 3.01 C ATOM 620 O ASP A 39 4.670 0.406 -10.391 1.00 70.43 O ATOM 621 CB ASP A 39 6.843 1.543 -8.268 1.00 4.53 C ATOM 622 CG ASP A 39 7.313 1.962 -9.667 1.00 53.02 C ATOM 623 OD1 ASP A 39 8.141 1.237 -10.259 1.00 74.42 O ATOM 624 OD2 ASP A 39 6.859 3.018 -10.180 1.00 31.20 O ATOM 0 H ASP A 39 6.588 -0.932 -9.639 1.00 3.00 H new ATOM 0 HA ASP A 39 5.414 0.356 -7.232 1.00 75.40 H new ATOM 0 HB2 ASP A 39 6.439 2.417 -7.757 1.00 4.53 H new ATOM 0 HB3 ASP A 39 7.707 1.209 -7.693 1.00 4.53 H new ATOM 629 N PHE A 40 3.614 1.394 -8.657 1.00 32.21 N ATOM 630 CA PHE A 40 2.398 1.759 -9.367 1.00 12.44 C ATOM 631 C PHE A 40 2.300 3.285 -9.305 1.00 4.52 C ATOM 632 O PHE A 40 1.856 3.832 -8.293 1.00 44.43 O ATOM 633 CB PHE A 40 1.171 1.050 -8.721 1.00 34.02 C ATOM 634 CG PHE A 40 1.403 -0.444 -8.475 1.00 41.31 C ATOM 635 CD1 PHE A 40 1.419 -1.349 -9.534 1.00 33.11 C ATOM 636 CD2 PHE A 40 1.662 -0.935 -7.193 1.00 22.15 C ATOM 637 CE1 PHE A 40 1.655 -2.693 -9.322 1.00 52.44 C ATOM 638 CE2 PHE A 40 1.905 -2.282 -6.988 1.00 1.45 C ATOM 639 CZ PHE A 40 1.907 -3.159 -8.050 1.00 1.24 C ATOM 0 H PHE A 40 3.611 1.688 -7.680 1.00 32.21 H new ATOM 0 HA PHE A 40 2.416 1.438 -10.408 1.00 12.44 H new ATOM 0 HB2 PHE A 40 0.935 1.536 -7.774 1.00 34.02 H new ATOM 0 HB3 PHE A 40 0.303 1.175 -9.369 1.00 34.02 H new ATOM 0 HD1 PHE A 40 1.244 -0.993 -10.539 1.00 33.11 H new ATOM 0 HD2 PHE A 40 1.673 -0.256 -6.353 1.00 22.15 H new ATOM 0 HE1 PHE A 40 1.642 -3.380 -10.155 1.00 52.44 H new ATOM 0 HE2 PHE A 40 2.094 -2.648 -5.990 1.00 1.45 H new ATOM 0 HZ PHE A 40 2.105 -4.208 -7.886 1.00 1.24 H new ATOM 649 N PRO A 41 2.845 4.003 -10.339 1.00 41.12 N ATOM 650 CA PRO A 41 2.803 5.485 -10.387 1.00 10.11 C ATOM 651 C PRO A 41 1.370 6.017 -10.567 1.00 23.43 C ATOM 652 O PRO A 41 1.047 7.110 -10.098 1.00 11.12 O ATOM 653 CB PRO A 41 3.714 5.833 -11.596 1.00 43.34 C ATOM 654 CG PRO A 41 3.730 4.600 -12.457 1.00 25.31 C ATOM 655 CD PRO A 41 3.567 3.428 -11.521 1.00 24.22 C ATOM 0 HA PRO A 41 3.143 5.946 -9.460 1.00 10.11 H new ATOM 0 HB2 PRO A 41 3.326 6.690 -12.146 1.00 43.34 H new ATOM 0 HB3 PRO A 41 4.720 6.095 -11.267 1.00 43.34 H new ATOM 0 HG2 PRO A 41 2.924 4.627 -13.190 1.00 25.31 H new ATOM 0 HG3 PRO A 41 4.664 4.526 -13.013 1.00 25.31 H new ATOM 0 HD2 PRO A 41 2.996 2.624 -11.985 1.00 24.22 H new ATOM 0 HD3 PRO A 41 4.532 3.009 -11.234 1.00 24.22 H new ATOM 663 N THR A 42 0.522 5.203 -11.220 1.00 61.11 N ATOM 664 CA THR A 42 -0.856 5.559 -11.597 1.00 24.53 C ATOM 665 C THR A 42 -1.844 4.442 -11.156 1.00 22.31 C ATOM 666 O THR A 42 -1.432 3.281 -11.007 1.00 63.31 O ATOM 667 CB THR A 42 -0.948 5.772 -13.148 1.00 2.32 C ATOM 668 OG1 THR A 42 -0.449 4.607 -13.831 1.00 54.40 O ATOM 669 CG2 THR A 42 -0.166 7.017 -13.614 1.00 51.44 C ATOM 0 H THR A 42 0.782 4.259 -11.506 1.00 61.11 H new ATOM 0 HA THR A 42 -1.128 6.486 -11.092 1.00 24.53 H new ATOM 0 HB THR A 42 -1.998 5.931 -13.393 1.00 2.32 H new ATOM 0 HG1 THR A 42 -0.510 4.744 -14.799 1.00 54.40 H new ATOM 0 HG21 THR A 42 -0.260 7.122 -14.695 1.00 51.44 H new ATOM 0 HG22 THR A 42 -0.570 7.904 -13.127 1.00 51.44 H new ATOM 0 HG23 THR A 42 0.886 6.906 -13.350 1.00 51.44 H new ATOM 677 N PRO A 43 -3.161 4.785 -10.915 1.00 22.34 N ATOM 678 CA PRO A 43 -4.231 3.782 -10.620 1.00 53.01 C ATOM 679 C PRO A 43 -4.390 2.695 -11.715 1.00 10.01 C ATOM 680 O PRO A 43 -4.795 1.562 -11.417 1.00 70.40 O ATOM 681 CB PRO A 43 -5.514 4.648 -10.500 1.00 45.15 C ATOM 682 CG PRO A 43 -5.019 6.017 -10.128 1.00 54.42 C ATOM 683 CD PRO A 43 -3.699 6.179 -10.847 1.00 44.34 C ATOM 0 HA PRO A 43 -3.999 3.209 -9.722 1.00 53.01 H new ATOM 0 HB2 PRO A 43 -6.067 4.669 -11.439 1.00 45.15 H new ATOM 0 HB3 PRO A 43 -6.189 4.252 -9.742 1.00 45.15 H new ATOM 0 HG2 PRO A 43 -5.728 6.787 -10.432 1.00 54.42 H new ATOM 0 HG3 PRO A 43 -4.892 6.109 -9.049 1.00 54.42 H new ATOM 0 HD2 PRO A 43 -3.834 6.605 -11.841 1.00 44.34 H new ATOM 0 HD3 PRO A 43 -3.026 6.842 -10.304 1.00 44.34 H new ATOM 691 N ALA A 44 -4.080 3.065 -12.976 1.00 13.10 N ATOM 692 CA ALA A 44 -4.126 2.139 -14.129 1.00 12.43 C ATOM 693 C ALA A 44 -3.035 1.064 -14.007 1.00 15.45 C ATOM 694 O ALA A 44 -3.301 -0.124 -14.203 1.00 11.22 O ATOM 695 CB ALA A 44 -3.994 2.913 -15.448 1.00 31.12 C ATOM 0 H ALA A 44 -3.791 4.012 -13.223 1.00 13.10 H new ATOM 0 HA ALA A 44 -5.093 1.636 -14.128 1.00 12.43 H new ATOM 0 HB1 ALA A 44 -4.030 2.215 -16.285 1.00 31.12 H new ATOM 0 HB2 ALA A 44 -4.814 3.626 -15.535 1.00 31.12 H new ATOM 0 HB3 ALA A 44 -3.044 3.448 -15.462 1.00 31.12 H new ATOM 701 N ALA A 45 -1.813 1.511 -13.656 1.00 53.14 N ATOM 702 CA ALA A 45 -0.635 0.635 -13.455 1.00 24.23 C ATOM 703 C ALA A 45 -0.850 -0.410 -12.332 1.00 71.14 C ATOM 704 O ALA A 45 -0.199 -1.464 -12.326 1.00 3.12 O ATOM 705 CB ALA A 45 0.593 1.505 -13.154 1.00 52.42 C ATOM 0 H ALA A 45 -1.611 2.499 -13.502 1.00 53.14 H new ATOM 0 HA ALA A 45 -0.479 0.070 -14.374 1.00 24.23 H new ATOM 0 HB1 ALA A 45 1.464 0.866 -13.005 1.00 52.42 H new ATOM 0 HB2 ALA A 45 0.776 2.178 -13.991 1.00 52.42 H new ATOM 0 HB3 ALA A 45 0.413 2.089 -12.252 1.00 52.42 H new ATOM 711 N ALA A 46 -1.778 -0.108 -11.402 1.00 72.40 N ATOM 712 CA ALA A 46 -2.104 -0.965 -10.240 1.00 54.13 C ATOM 713 C ALA A 46 -2.823 -2.288 -10.604 1.00 63.32 C ATOM 714 O ALA A 46 -3.077 -3.094 -9.707 1.00 34.24 O ATOM 715 CB ALA A 46 -2.948 -0.156 -9.251 1.00 64.24 C ATOM 0 H ALA A 46 -2.330 0.749 -11.436 1.00 72.40 H new ATOM 0 HA ALA A 46 -1.156 -1.267 -9.794 1.00 54.13 H new ATOM 0 HB1 ALA A 46 -3.195 -0.777 -8.390 1.00 64.24 H new ATOM 0 HB2 ALA A 46 -2.384 0.716 -8.920 1.00 64.24 H new ATOM 0 HB3 ALA A 46 -3.867 0.170 -9.738 1.00 64.24 H new ATOM 721 N PHE A 47 -3.128 -2.505 -11.908 1.00 13.43 N ATOM 722 CA PHE A 47 -3.818 -3.729 -12.414 1.00 41.35 C ATOM 723 C PHE A 47 -3.088 -5.038 -12.027 1.00 72.31 C ATOM 724 O PHE A 47 -3.700 -6.107 -12.017 1.00 40.40 O ATOM 725 CB PHE A 47 -3.980 -3.666 -13.971 1.00 3.34 C ATOM 726 CG PHE A 47 -2.671 -3.820 -14.778 1.00 23.22 C ATOM 727 CD1 PHE A 47 -1.774 -2.760 -14.911 1.00 2.34 C ATOM 728 CD2 PHE A 47 -2.342 -5.027 -15.403 1.00 75.32 C ATOM 729 CE1 PHE A 47 -0.597 -2.896 -15.630 1.00 1.21 C ATOM 730 CE2 PHE A 47 -1.165 -5.161 -16.122 1.00 12.03 C ATOM 731 CZ PHE A 47 -0.295 -4.096 -16.235 1.00 11.14 C ATOM 0 H PHE A 47 -2.903 -1.836 -12.645 1.00 13.43 H new ATOM 0 HA PHE A 47 -4.798 -3.746 -11.936 1.00 41.35 H new ATOM 0 HB2 PHE A 47 -4.672 -4.449 -14.280 1.00 3.34 H new ATOM 0 HB3 PHE A 47 -4.439 -2.713 -14.234 1.00 3.34 H new ATOM 0 HD1 PHE A 47 -2.002 -1.813 -14.444 1.00 2.34 H new ATOM 0 HD2 PHE A 47 -3.016 -5.868 -15.324 1.00 75.32 H new ATOM 0 HE1 PHE A 47 0.083 -2.061 -15.716 1.00 1.21 H new ATOM 0 HE2 PHE A 47 -0.928 -6.102 -16.596 1.00 12.03 H new ATOM 0 HZ PHE A 47 0.621 -4.203 -16.797 1.00 11.14 H new ATOM 741 N ARG A 48 -1.776 -4.933 -11.751 1.00 60.43 N ATOM 742 CA ARG A 48 -0.911 -6.087 -11.446 1.00 1.04 C ATOM 743 C ARG A 48 -1.322 -6.757 -10.118 1.00 21.21 C ATOM 744 O ARG A 48 -1.520 -7.981 -10.049 1.00 30.45 O ATOM 745 CB ARG A 48 0.573 -5.636 -11.400 1.00 2.13 C ATOM 746 CG ARG A 48 1.024 -4.814 -12.627 1.00 42.14 C ATOM 747 CD ARG A 48 2.502 -4.378 -12.567 1.00 62.40 C ATOM 748 NE ARG A 48 2.760 -3.210 -13.435 1.00 52.53 N ATOM 749 CZ ARG A 48 3.549 -3.176 -14.518 1.00 22.12 C ATOM 750 NH1 ARG A 48 4.196 -4.257 -14.932 1.00 4.12 N ATOM 751 NH2 ARG A 48 3.704 -2.030 -15.173 1.00 52.30 N ATOM 0 H ARG A 48 -1.283 -4.040 -11.733 1.00 60.43 H new ATOM 0 HA ARG A 48 -1.031 -6.827 -12.237 1.00 1.04 H new ATOM 0 HB2 ARG A 48 0.733 -5.042 -10.500 1.00 2.13 H new ATOM 0 HB3 ARG A 48 1.207 -6.519 -11.315 1.00 2.13 H new ATOM 0 HG2 ARG A 48 0.864 -5.405 -13.529 1.00 42.14 H new ATOM 0 HG3 ARG A 48 0.395 -3.928 -12.711 1.00 42.14 H new ATOM 0 HD2 ARG A 48 2.769 -4.134 -11.539 1.00 62.40 H new ATOM 0 HD3 ARG A 48 3.139 -5.207 -12.873 1.00 62.40 H new ATOM 0 HE ARG A 48 2.289 -2.341 -13.184 1.00 52.53 H new ATOM 0 HH11 ARG A 48 4.098 -5.136 -14.424 1.00 4.12 H new ATOM 0 HH12 ARG A 48 4.792 -4.210 -15.759 1.00 4.12 H new ATOM 0 HH21 ARG A 48 3.225 -1.189 -14.850 1.00 52.30 H new ATOM 0 HH22 ARG A 48 4.302 -1.991 -15.999 1.00 52.30 H new ATOM 765 N SER A 49 -1.476 -5.932 -9.078 1.00 11.22 N ATOM 766 CA SER A 49 -1.808 -6.390 -7.726 1.00 1.32 C ATOM 767 C SER A 49 -3.207 -5.847 -7.331 1.00 52.41 C ATOM 768 O SER A 49 -3.400 -4.629 -7.322 1.00 31.43 O ATOM 769 CB SER A 49 -0.715 -5.913 -6.740 1.00 51.23 C ATOM 770 OG SER A 49 0.572 -6.374 -7.134 1.00 70.23 O ATOM 0 H SER A 49 -1.373 -4.920 -9.152 1.00 11.22 H new ATOM 0 HA SER A 49 -1.843 -7.479 -7.691 1.00 1.32 H new ATOM 0 HB2 SER A 49 -0.715 -4.824 -6.692 1.00 51.23 H new ATOM 0 HB3 SER A 49 -0.943 -6.276 -5.738 1.00 51.23 H new ATOM 0 HG SER A 49 1.243 -6.057 -6.494 1.00 70.23 H new ATOM 776 N PRO A 50 -4.217 -6.735 -7.031 1.00 62.43 N ATOM 777 CA PRO A 50 -5.587 -6.305 -6.619 1.00 51.33 C ATOM 778 C PRO A 50 -5.584 -5.415 -5.358 1.00 25.03 C ATOM 779 O PRO A 50 -6.394 -4.480 -5.246 1.00 51.14 O ATOM 780 CB PRO A 50 -6.332 -7.640 -6.364 1.00 33.33 C ATOM 781 CG PRO A 50 -5.568 -8.653 -7.162 1.00 2.32 C ATOM 782 CD PRO A 50 -4.122 -8.220 -7.101 1.00 73.22 C ATOM 0 HA PRO A 50 -6.061 -5.686 -7.381 1.00 51.33 H new ATOM 0 HB2 PRO A 50 -6.341 -7.894 -5.304 1.00 33.33 H new ATOM 0 HB3 PRO A 50 -7.372 -7.582 -6.686 1.00 33.33 H new ATOM 0 HG2 PRO A 50 -5.694 -9.653 -6.748 1.00 2.32 H new ATOM 0 HG3 PRO A 50 -5.923 -8.688 -8.192 1.00 2.32 H new ATOM 0 HD2 PRO A 50 -3.614 -8.633 -6.230 1.00 73.22 H new ATOM 0 HD3 PRO A 50 -3.566 -8.547 -7.979 1.00 73.22 H new ATOM 790 N LEU A 51 -4.640 -5.692 -4.431 1.00 61.23 N ATOM 791 CA LEU A 51 -4.477 -4.895 -3.204 1.00 51.10 C ATOM 792 C LEU A 51 -4.034 -3.467 -3.560 1.00 52.53 C ATOM 793 O LEU A 51 -4.502 -2.515 -2.947 1.00 34.12 O ATOM 794 CB LEU A 51 -3.461 -5.549 -2.228 1.00 15.31 C ATOM 795 CG LEU A 51 -3.241 -4.793 -0.872 1.00 34.52 C ATOM 796 CD1 LEU A 51 -4.569 -4.586 -0.105 1.00 43.20 C ATOM 797 CD2 LEU A 51 -2.192 -5.510 0.007 1.00 32.43 C ATOM 0 H LEU A 51 -3.980 -6.465 -4.514 1.00 61.23 H new ATOM 0 HA LEU A 51 -5.441 -4.856 -2.698 1.00 51.10 H new ATOM 0 HB2 LEU A 51 -3.797 -6.562 -2.008 1.00 15.31 H new ATOM 0 HB3 LEU A 51 -2.500 -5.635 -2.736 1.00 15.31 H new ATOM 0 HG LEU A 51 -2.852 -3.804 -1.115 1.00 34.52 H new ATOM 0 HD11 LEU A 51 -4.372 -4.059 0.828 1.00 43.20 H new ATOM 0 HD12 LEU A 51 -5.254 -3.998 -0.716 1.00 43.20 H new ATOM 0 HD13 LEU A 51 -5.018 -5.555 0.114 1.00 43.20 H new ATOM 0 HD21 LEU A 51 -2.062 -4.961 0.940 1.00 32.43 H new ATOM 0 HD22 LEU A 51 -2.532 -6.522 0.226 1.00 32.43 H new ATOM 0 HD23 LEU A 51 -1.241 -5.553 -0.524 1.00 32.43 H new ATOM 809 N ALA A 52 -3.166 -3.343 -4.591 1.00 43.01 N ATOM 810 CA ALA A 52 -2.672 -2.037 -5.075 1.00 30.45 C ATOM 811 C ALA A 52 -3.840 -1.177 -5.576 1.00 1.11 C ATOM 812 O ALA A 52 -3.923 0.004 -5.240 1.00 40.40 O ATOM 813 CB ALA A 52 -1.630 -2.227 -6.182 1.00 50.23 C ATOM 0 H ALA A 52 -2.792 -4.140 -5.106 1.00 43.01 H new ATOM 0 HA ALA A 52 -2.193 -1.521 -4.243 1.00 30.45 H new ATOM 0 HB1 ALA A 52 -1.280 -1.253 -6.523 1.00 50.23 H new ATOM 0 HB2 ALA A 52 -0.788 -2.800 -5.794 1.00 50.23 H new ATOM 0 HB3 ALA A 52 -2.080 -2.764 -7.017 1.00 50.23 H new ATOM 819 N ARG A 53 -4.760 -1.810 -6.351 1.00 33.13 N ATOM 820 CA ARG A 53 -6.010 -1.164 -6.824 1.00 73.42 C ATOM 821 C ARG A 53 -6.826 -0.615 -5.637 1.00 23.52 C ATOM 822 O ARG A 53 -7.279 0.531 -5.664 1.00 72.15 O ATOM 823 CB ARG A 53 -6.892 -2.160 -7.630 1.00 52.33 C ATOM 824 CG ARG A 53 -6.343 -2.592 -9.008 1.00 41.42 C ATOM 825 CD ARG A 53 -7.342 -3.492 -9.777 1.00 32.33 C ATOM 826 NE ARG A 53 -8.676 -2.865 -9.886 1.00 73.15 N ATOM 827 CZ ARG A 53 -9.817 -3.476 -10.268 1.00 51.20 C ATOM 828 NH1 ARG A 53 -9.839 -4.764 -10.601 1.00 21.42 N ATOM 829 NH2 ARG A 53 -10.942 -2.780 -10.288 1.00 31.31 N ATOM 0 H ARG A 53 -4.656 -2.776 -6.663 1.00 33.13 H new ATOM 0 HA ARG A 53 -5.719 -0.341 -7.477 1.00 73.42 H new ATOM 0 HB2 ARG A 53 -7.041 -3.054 -7.024 1.00 52.33 H new ATOM 0 HB3 ARG A 53 -7.873 -1.708 -7.778 1.00 52.33 H new ATOM 0 HG2 ARG A 53 -6.121 -1.706 -9.603 1.00 41.42 H new ATOM 0 HG3 ARG A 53 -5.404 -3.128 -8.872 1.00 41.42 H new ATOM 0 HD2 ARG A 53 -6.954 -3.695 -10.775 1.00 32.33 H new ATOM 0 HD3 ARG A 53 -7.432 -4.452 -9.268 1.00 32.33 H new ATOM 0 HE ARG A 53 -8.740 -1.875 -9.650 1.00 73.15 H new ATOM 0 HH11 ARG A 53 -8.980 -5.313 -10.571 1.00 21.42 H new ATOM 0 HH12 ARG A 53 -10.715 -5.202 -10.886 1.00 21.42 H new ATOM 0 HH21 ARG A 53 -10.938 -1.797 -10.017 1.00 31.31 H new ATOM 0 HH22 ARG A 53 -11.813 -3.227 -10.574 1.00 31.31 H new ATOM 843 N GLN A 54 -6.966 -1.449 -4.590 1.00 2.45 N ATOM 844 CA GLN A 54 -7.752 -1.117 -3.382 1.00 52.32 C ATOM 845 C GLN A 54 -7.086 0.011 -2.565 1.00 52.31 C ATOM 846 O GLN A 54 -7.775 0.786 -1.892 1.00 41.50 O ATOM 847 CB GLN A 54 -7.930 -2.375 -2.505 1.00 73.51 C ATOM 848 CG GLN A 54 -8.682 -3.538 -3.176 1.00 31.12 C ATOM 849 CD GLN A 54 -8.830 -4.779 -2.281 1.00 13.52 C ATOM 850 OE1 GLN A 54 -7.849 -5.035 -1.413 1.00 70.45 O flip ATOM 851 NE2 GLN A 54 -9.807 -5.520 -2.383 1.00 42.31 N flip ATOM 0 H GLN A 54 -6.538 -2.374 -4.556 1.00 2.45 H new ATOM 0 HA GLN A 54 -8.730 -0.761 -3.706 1.00 52.32 H new ATOM 0 HB2 GLN A 54 -6.945 -2.728 -2.199 1.00 73.51 H new ATOM 0 HB3 GLN A 54 -8.464 -2.093 -1.597 1.00 73.51 H new ATOM 0 HG2 GLN A 54 -9.673 -3.195 -3.472 1.00 31.12 H new ATOM 0 HG3 GLN A 54 -8.157 -3.820 -4.088 1.00 31.12 H new ATOM 0 HE21 GLN A 54 -10.544 -5.303 -3.054 1.00 42.31 H new ATOM 0 HE22 GLN A 54 -9.880 -6.351 -1.797 1.00 42.31 H new ATOM 860 N LEU A 55 -5.743 0.082 -2.629 1.00 13.41 N ATOM 861 CA LEU A 55 -4.953 1.138 -1.961 1.00 23.34 C ATOM 862 C LEU A 55 -5.058 2.471 -2.727 1.00 34.41 C ATOM 863 O LEU A 55 -4.951 3.533 -2.126 1.00 24.53 O ATOM 864 CB LEU A 55 -3.474 0.691 -1.787 1.00 45.41 C ATOM 865 CG LEU A 55 -3.246 -0.526 -0.828 1.00 3.33 C ATOM 866 CD1 LEU A 55 -1.757 -0.930 -0.766 1.00 74.33 C ATOM 867 CD2 LEU A 55 -3.820 -0.246 0.582 1.00 14.30 C ATOM 0 H LEU A 55 -5.174 -0.590 -3.144 1.00 13.41 H new ATOM 0 HA LEU A 55 -5.367 1.301 -0.966 1.00 23.34 H new ATOM 0 HB2 LEU A 55 -3.071 0.439 -2.768 1.00 45.41 H new ATOM 0 HB3 LEU A 55 -2.898 1.538 -1.414 1.00 45.41 H new ATOM 0 HG LEU A 55 -3.792 -1.374 -1.241 1.00 3.33 H new ATOM 0 HD11 LEU A 55 -1.638 -1.777 -0.091 1.00 74.33 H new ATOM 0 HD12 LEU A 55 -1.414 -1.209 -1.762 1.00 74.33 H new ATOM 0 HD13 LEU A 55 -1.167 -0.089 -0.401 1.00 74.33 H new ATOM 0 HD21 LEU A 55 -3.646 -1.110 1.224 1.00 14.30 H new ATOM 0 HD22 LEU A 55 -3.328 0.628 1.008 1.00 14.30 H new ATOM 0 HD23 LEU A 55 -4.891 -0.059 0.508 1.00 14.30 H new ATOM 879 N PHE A 56 -5.289 2.400 -4.051 1.00 52.44 N ATOM 880 CA PHE A 56 -5.597 3.594 -4.877 1.00 35.41 C ATOM 881 C PHE A 56 -7.053 4.057 -4.672 1.00 12.24 C ATOM 882 O PHE A 56 -7.383 5.205 -4.985 1.00 23.41 O ATOM 883 CB PHE A 56 -5.302 3.328 -6.383 1.00 42.52 C ATOM 884 CG PHE A 56 -3.835 3.528 -6.760 1.00 22.11 C ATOM 885 CD1 PHE A 56 -3.353 4.802 -7.055 1.00 2.34 C ATOM 886 CD2 PHE A 56 -2.947 2.461 -6.829 1.00 11.33 C ATOM 887 CE1 PHE A 56 -2.038 4.994 -7.403 1.00 34.52 C ATOM 888 CE2 PHE A 56 -1.630 2.659 -7.175 1.00 71.42 C ATOM 889 CZ PHE A 56 -1.178 3.923 -7.465 1.00 50.40 C ATOM 0 H PHE A 56 -5.269 1.527 -4.578 1.00 52.44 H new ATOM 0 HA PHE A 56 -4.943 4.400 -4.546 1.00 35.41 H new ATOM 0 HB2 PHE A 56 -5.596 2.308 -6.628 1.00 42.52 H new ATOM 0 HB3 PHE A 56 -5.919 3.992 -6.989 1.00 42.52 H new ATOM 0 HD1 PHE A 56 -4.022 5.649 -7.009 1.00 2.34 H new ATOM 0 HD2 PHE A 56 -3.295 1.463 -6.608 1.00 11.33 H new ATOM 0 HE1 PHE A 56 -1.679 5.987 -7.628 1.00 34.52 H new ATOM 0 HE2 PHE A 56 -0.951 1.820 -7.219 1.00 71.42 H new ATOM 0 HZ PHE A 56 -0.145 4.076 -7.742 1.00 50.40 H new ATOM 899 N ARG A 57 -7.918 3.163 -4.154 1.00 3.14 N ATOM 900 CA ARG A 57 -9.300 3.521 -3.767 1.00 62.14 C ATOM 901 C ARG A 57 -9.305 4.357 -2.470 1.00 42.32 C ATOM 902 O ARG A 57 -10.292 5.041 -2.180 1.00 20.34 O ATOM 903 CB ARG A 57 -10.183 2.254 -3.604 1.00 71.13 C ATOM 904 CG ARG A 57 -10.308 1.393 -4.883 1.00 21.24 C ATOM 905 CD ARG A 57 -11.287 0.213 -4.728 1.00 34.03 C ATOM 906 NE ARG A 57 -12.685 0.667 -4.568 1.00 32.52 N ATOM 907 CZ ARG A 57 -13.778 -0.117 -4.679 1.00 51.54 C ATOM 908 NH1 ARG A 57 -13.663 -1.423 -4.941 1.00 41.34 N ATOM 909 NH2 ARG A 57 -14.987 0.419 -4.529 1.00 35.22 N ATOM 0 H ARG A 57 -7.684 2.183 -3.993 1.00 3.14 H new ATOM 0 HA ARG A 57 -9.725 4.126 -4.568 1.00 62.14 H new ATOM 0 HB2 ARG A 57 -9.770 1.638 -2.805 1.00 71.13 H new ATOM 0 HB3 ARG A 57 -11.180 2.559 -3.287 1.00 71.13 H new ATOM 0 HG2 ARG A 57 -10.638 2.025 -5.707 1.00 21.24 H new ATOM 0 HG3 ARG A 57 -9.324 1.008 -5.151 1.00 21.24 H new ATOM 0 HD2 ARG A 57 -11.214 -0.435 -5.602 1.00 34.03 H new ATOM 0 HD3 ARG A 57 -10.999 -0.385 -3.863 1.00 34.03 H new ATOM 0 HE ARG A 57 -12.836 1.653 -4.356 1.00 32.52 H new ATOM 0 HH11 ARG A 57 -12.740 -1.840 -5.060 1.00 41.34 H new ATOM 0 HH12 ARG A 57 -14.499 -2.002 -5.022 1.00 41.34 H new ATOM 0 HH21 ARG A 57 -15.082 1.415 -4.332 1.00 35.22 H new ATOM 0 HH22 ARG A 57 -15.818 -0.166 -4.611 1.00 35.22 H new ATOM 923 N ILE A 58 -8.178 4.341 -1.724 1.00 12.11 N ATOM 924 CA ILE A 58 -8.023 5.141 -0.503 1.00 62.41 C ATOM 925 C ILE A 58 -7.781 6.598 -0.920 1.00 41.15 C ATOM 926 O ILE A 58 -6.820 6.885 -1.656 1.00 63.40 O ATOM 927 CB ILE A 58 -6.824 4.642 0.396 1.00 41.12 C ATOM 928 CG1 ILE A 58 -6.930 3.111 0.697 1.00 74.54 C ATOM 929 CG2 ILE A 58 -6.723 5.461 1.713 1.00 20.30 C ATOM 930 CD1 ILE A 58 -8.151 2.694 1.490 1.00 52.30 C ATOM 0 H ILE A 58 -7.361 3.776 -1.954 1.00 12.11 H new ATOM 0 HA ILE A 58 -8.930 5.042 0.094 1.00 62.41 H new ATOM 0 HB ILE A 58 -5.907 4.806 -0.170 1.00 41.12 H new ATOM 0 HG12 ILE A 58 -6.928 2.570 -0.249 1.00 74.54 H new ATOM 0 HG13 ILE A 58 -6.039 2.801 1.243 1.00 74.54 H new ATOM 0 HG21 ILE A 58 -5.888 5.092 2.308 1.00 20.30 H new ATOM 0 HG22 ILE A 58 -6.563 6.513 1.476 1.00 20.30 H new ATOM 0 HG23 ILE A 58 -7.648 5.354 2.280 1.00 20.30 H new ATOM 0 HD11 ILE A 58 -8.132 1.615 1.646 1.00 52.30 H new ATOM 0 HD12 ILE A 58 -8.149 3.201 2.455 1.00 52.30 H new ATOM 0 HD13 ILE A 58 -9.052 2.965 0.940 1.00 52.30 H new ATOM 942 N GLU A 59 -8.688 7.484 -0.493 1.00 73.22 N ATOM 943 CA GLU A 59 -8.638 8.919 -0.796 1.00 5.34 C ATOM 944 C GLU A 59 -7.349 9.541 -0.237 1.00 21.11 C ATOM 945 O GLU A 59 -7.111 9.525 0.981 1.00 43.44 O ATOM 946 CB GLU A 59 -9.894 9.627 -0.220 1.00 74.45 C ATOM 947 CG GLU A 59 -11.223 9.132 -0.824 1.00 73.25 C ATOM 948 CD GLU A 59 -12.455 9.742 -0.139 1.00 52.45 C ATOM 949 OE1 GLU A 59 -12.869 10.863 -0.515 1.00 30.21 O ATOM 950 OE2 GLU A 59 -13.020 9.104 0.781 1.00 52.02 O ATOM 0 H GLU A 59 -9.489 7.221 0.081 1.00 73.22 H new ATOM 0 HA GLU A 59 -8.633 9.053 -1.878 1.00 5.34 H new ATOM 0 HB2 GLU A 59 -9.919 9.479 0.860 1.00 74.45 H new ATOM 0 HB3 GLU A 59 -9.805 10.700 -0.392 1.00 74.45 H new ATOM 0 HG2 GLU A 59 -11.246 9.375 -1.886 1.00 73.25 H new ATOM 0 HG3 GLU A 59 -11.270 8.046 -0.745 1.00 73.25 H new ATOM 957 N GLY A 60 -6.511 10.044 -1.149 1.00 44.34 N ATOM 958 CA GLY A 60 -5.268 10.714 -0.787 1.00 51.02 C ATOM 959 C GLY A 60 -4.026 9.955 -1.212 1.00 73.11 C ATOM 960 O GLY A 60 -2.932 10.355 -0.843 1.00 60.10 O ATOM 0 H GLY A 60 -6.679 9.996 -2.154 1.00 44.34 H new ATOM 0 HA2 GLY A 60 -5.252 11.704 -1.242 1.00 51.02 H new ATOM 0 HA3 GLY A 60 -5.244 10.859 0.293 1.00 51.02 H new ATOM 964 N VAL A 61 -4.186 8.864 -1.985 1.00 14.13 N ATOM 965 CA VAL A 61 -3.051 8.065 -2.498 1.00 60.14 C ATOM 966 C VAL A 61 -2.711 8.449 -3.960 1.00 53.31 C ATOM 967 O VAL A 61 -3.576 8.395 -4.846 1.00 32.33 O ATOM 968 CB VAL A 61 -3.343 6.519 -2.370 1.00 45.23 C ATOM 969 CG1 VAL A 61 -2.246 5.665 -3.057 1.00 23.41 C ATOM 970 CG2 VAL A 61 -3.501 6.130 -0.877 1.00 64.14 C ATOM 0 H VAL A 61 -5.099 8.511 -2.272 1.00 14.13 H new ATOM 0 HA VAL A 61 -2.180 8.293 -1.884 1.00 60.14 H new ATOM 0 HB VAL A 61 -4.278 6.309 -2.889 1.00 45.23 H new ATOM 0 HG11 VAL A 61 -2.485 4.607 -2.946 1.00 23.41 H new ATOM 0 HG12 VAL A 61 -2.199 5.917 -4.116 1.00 23.41 H new ATOM 0 HG13 VAL A 61 -1.281 5.870 -2.592 1.00 23.41 H new ATOM 0 HG21 VAL A 61 -3.702 5.062 -0.799 1.00 64.14 H new ATOM 0 HG22 VAL A 61 -2.582 6.367 -0.340 1.00 64.14 H new ATOM 0 HG23 VAL A 61 -4.330 6.688 -0.441 1.00 64.14 H new ATOM 980 N LYS A 62 -1.442 8.842 -4.175 1.00 62.02 N ATOM 981 CA LYS A 62 -0.885 9.191 -5.505 1.00 35.12 C ATOM 982 C LYS A 62 -0.288 7.952 -6.185 1.00 54.55 C ATOM 983 O LYS A 62 -0.489 7.724 -7.388 1.00 43.51 O ATOM 984 CB LYS A 62 0.219 10.273 -5.336 1.00 65.31 C ATOM 985 CG LYS A 62 1.139 10.533 -6.559 1.00 73.13 C ATOM 986 CD LYS A 62 0.389 11.066 -7.801 1.00 73.04 C ATOM 987 CE LYS A 62 1.292 11.122 -9.041 1.00 1.52 C ATOM 988 NZ LYS A 62 1.758 9.767 -9.442 1.00 33.45 N ATOM 0 H LYS A 62 -0.760 8.929 -3.421 1.00 62.02 H new ATOM 0 HA LYS A 62 -1.690 9.577 -6.130 1.00 35.12 H new ATOM 0 HB2 LYS A 62 -0.265 11.213 -5.069 1.00 65.31 H new ATOM 0 HB3 LYS A 62 0.848 9.988 -4.493 1.00 65.31 H new ATOM 0 HG2 LYS A 62 1.910 11.250 -6.276 1.00 73.13 H new ATOM 0 HG3 LYS A 62 1.647 9.606 -6.823 1.00 73.13 H new ATOM 0 HD2 LYS A 62 -0.470 10.427 -8.007 1.00 73.04 H new ATOM 0 HD3 LYS A 62 0.002 12.063 -7.590 1.00 73.04 H new ATOM 0 HE2 LYS A 62 0.748 11.579 -9.867 1.00 1.52 H new ATOM 0 HE3 LYS A 62 2.153 11.758 -8.836 1.00 1.52 H new ATOM 0 HZ1 LYS A 62 2.309 9.836 -10.321 1.00 33.45 H new ATOM 0 HZ2 LYS A 62 2.355 9.368 -8.689 1.00 33.45 H new ATOM 0 HZ3 LYS A 62 0.936 9.149 -9.596 1.00 33.45 H new ATOM 1002 N SER A 63 0.453 7.174 -5.397 1.00 74.52 N ATOM 1003 CA SER A 63 1.281 6.065 -5.889 1.00 13.13 C ATOM 1004 C SER A 63 1.483 5.055 -4.763 1.00 12.31 C ATOM 1005 O SER A 63 1.454 5.416 -3.586 1.00 42.25 O ATOM 1006 CB SER A 63 2.651 6.577 -6.407 1.00 15.33 C ATOM 1007 OG SER A 63 2.491 7.467 -7.501 1.00 41.12 O ATOM 0 H SER A 63 0.498 7.295 -4.385 1.00 74.52 H new ATOM 0 HA SER A 63 0.770 5.586 -6.725 1.00 13.13 H new ATOM 0 HB2 SER A 63 3.181 7.082 -5.600 1.00 15.33 H new ATOM 0 HB3 SER A 63 3.266 5.730 -6.712 1.00 15.33 H new ATOM 0 HG SER A 63 1.868 7.079 -8.150 1.00 41.12 H new ATOM 1013 N VAL A 64 1.663 3.782 -5.131 1.00 64.44 N ATOM 1014 CA VAL A 64 1.935 2.695 -4.166 1.00 62.32 C ATOM 1015 C VAL A 64 3.151 1.897 -4.652 1.00 70.45 C ATOM 1016 O VAL A 64 3.277 1.618 -5.842 1.00 32.33 O ATOM 1017 CB VAL A 64 0.705 1.716 -3.984 1.00 4.34 C ATOM 1018 CG1 VAL A 64 0.976 0.688 -2.871 1.00 21.31 C ATOM 1019 CG2 VAL A 64 -0.611 2.475 -3.697 1.00 43.53 C ATOM 0 H VAL A 64 1.626 3.470 -6.101 1.00 64.44 H new ATOM 0 HA VAL A 64 2.126 3.154 -3.196 1.00 62.32 H new ATOM 0 HB VAL A 64 0.583 1.189 -4.931 1.00 4.34 H new ATOM 0 HG11 VAL A 64 0.115 0.028 -2.767 1.00 21.31 H new ATOM 0 HG12 VAL A 64 1.856 0.098 -3.127 1.00 21.31 H new ATOM 0 HG13 VAL A 64 1.149 1.209 -1.929 1.00 21.31 H new ATOM 0 HG21 VAL A 64 -1.425 1.760 -3.580 1.00 43.53 H new ATOM 0 HG22 VAL A 64 -0.504 3.056 -2.781 1.00 43.53 H new ATOM 0 HG23 VAL A 64 -0.833 3.145 -4.528 1.00 43.53 H new ATOM 1029 N PHE A 65 4.031 1.517 -3.723 1.00 30.41 N ATOM 1030 CA PHE A 65 5.234 0.729 -4.011 1.00 11.42 C ATOM 1031 C PHE A 65 5.148 -0.587 -3.234 1.00 32.54 C ATOM 1032 O PHE A 65 5.081 -0.586 -2.000 1.00 75.15 O ATOM 1033 CB PHE A 65 6.519 1.516 -3.613 1.00 73.51 C ATOM 1034 CG PHE A 65 7.824 0.711 -3.758 1.00 71.11 C ATOM 1035 CD1 PHE A 65 8.350 0.414 -5.018 1.00 1.54 C ATOM 1036 CD2 PHE A 65 8.508 0.231 -2.635 1.00 43.34 C ATOM 1037 CE1 PHE A 65 9.511 -0.326 -5.153 1.00 31.13 C ATOM 1038 CE2 PHE A 65 9.667 -0.513 -2.772 1.00 22.54 C ATOM 1039 CZ PHE A 65 10.168 -0.790 -4.029 1.00 64.54 C ATOM 0 H PHE A 65 3.928 1.751 -2.736 1.00 30.41 H new ATOM 0 HA PHE A 65 5.292 0.526 -5.080 1.00 11.42 H new ATOM 0 HB2 PHE A 65 6.588 2.412 -4.230 1.00 73.51 H new ATOM 0 HB3 PHE A 65 6.423 1.847 -2.579 1.00 73.51 H new ATOM 0 HD1 PHE A 65 7.841 0.768 -5.902 1.00 1.54 H new ATOM 0 HD2 PHE A 65 8.126 0.444 -1.648 1.00 43.34 H new ATOM 0 HE1 PHE A 65 9.904 -0.541 -6.136 1.00 31.13 H new ATOM 0 HE2 PHE A 65 10.180 -0.878 -1.895 1.00 22.54 H new ATOM 0 HZ PHE A 65 11.073 -1.369 -4.134 1.00 64.54 H new ATOM 1049 N PHE A 66 5.118 -1.700 -3.966 1.00 12.44 N ATOM 1050 CA PHE A 66 5.214 -3.046 -3.400 1.00 4.24 C ATOM 1051 C PHE A 66 6.688 -3.487 -3.455 1.00 54.43 C ATOM 1052 O PHE A 66 7.265 -3.679 -4.537 1.00 13.21 O ATOM 1053 CB PHE A 66 4.286 -4.034 -4.168 1.00 61.15 C ATOM 1054 CG PHE A 66 2.794 -3.980 -3.802 1.00 43.43 C ATOM 1055 CD1 PHE A 66 2.159 -2.785 -3.468 1.00 31.40 C ATOM 1056 CD2 PHE A 66 2.025 -5.143 -3.795 1.00 42.55 C ATOM 1057 CE1 PHE A 66 0.812 -2.762 -3.145 1.00 1.13 C ATOM 1058 CE2 PHE A 66 0.681 -5.109 -3.468 1.00 2.34 C ATOM 1059 CZ PHE A 66 0.078 -3.922 -3.143 1.00 12.14 C ATOM 0 H PHE A 66 5.025 -1.693 -4.982 1.00 12.44 H new ATOM 0 HA PHE A 66 4.878 -3.045 -2.363 1.00 4.24 H new ATOM 0 HB2 PHE A 66 4.385 -3.839 -5.236 1.00 61.15 H new ATOM 0 HB3 PHE A 66 4.646 -5.048 -3.995 1.00 61.15 H new ATOM 0 HD1 PHE A 66 2.724 -1.865 -3.461 1.00 31.40 H new ATOM 0 HD2 PHE A 66 2.486 -6.086 -4.049 1.00 42.55 H new ATOM 0 HE1 PHE A 66 0.336 -1.826 -2.893 1.00 1.13 H new ATOM 0 HE2 PHE A 66 0.104 -6.022 -3.469 1.00 2.34 H new ATOM 0 HZ PHE A 66 -0.971 -3.899 -2.886 1.00 12.14 H new ATOM 1069 N GLY A 67 7.276 -3.605 -2.270 1.00 2.01 N ATOM 1070 CA GLY A 67 8.670 -3.985 -2.077 1.00 23.12 C ATOM 1071 C GLY A 67 8.768 -5.383 -1.474 1.00 22.52 C ATOM 1072 O GLY A 67 7.723 -6.009 -1.245 1.00 53.31 O ATOM 0 H GLY A 67 6.783 -3.434 -1.394 1.00 2.01 H new ATOM 0 HA2 GLY A 67 9.195 -3.957 -3.032 1.00 23.12 H new ATOM 0 HA3 GLY A 67 9.161 -3.265 -1.422 1.00 23.12 H new ATOM 1076 N PRO A 68 10.007 -5.927 -1.234 1.00 54.32 N ATOM 1077 CA PRO A 68 10.202 -7.279 -0.647 1.00 31.53 C ATOM 1078 C PRO A 68 9.455 -7.457 0.699 1.00 22.02 C ATOM 1079 O PRO A 68 9.951 -7.063 1.758 1.00 23.22 O ATOM 1080 CB PRO A 68 11.745 -7.403 -0.498 1.00 61.44 C ATOM 1081 CG PRO A 68 12.297 -6.420 -1.498 1.00 64.11 C ATOM 1082 CD PRO A 68 11.312 -5.266 -1.510 1.00 75.55 C ATOM 0 HA PRO A 68 9.784 -8.066 -1.274 1.00 31.53 H new ATOM 0 HB2 PRO A 68 12.067 -7.163 0.515 1.00 61.44 H new ATOM 0 HB3 PRO A 68 12.085 -8.417 -0.708 1.00 61.44 H new ATOM 0 HG2 PRO A 68 13.293 -6.084 -1.211 1.00 64.11 H new ATOM 0 HG3 PRO A 68 12.386 -6.872 -2.486 1.00 64.11 H new ATOM 0 HD2 PRO A 68 11.555 -4.522 -0.751 1.00 75.55 H new ATOM 0 HD3 PRO A 68 11.307 -4.751 -2.471 1.00 75.55 H new ATOM 1090 N ASP A 69 8.210 -7.972 0.589 1.00 41.45 N ATOM 1091 CA ASP A 69 7.334 -8.359 1.724 1.00 12.34 C ATOM 1092 C ASP A 69 6.972 -7.166 2.644 1.00 52.13 C ATOM 1093 O ASP A 69 6.677 -7.334 3.837 1.00 63.02 O ATOM 1094 CB ASP A 69 7.949 -9.563 2.490 1.00 21.24 C ATOM 1095 CG ASP A 69 8.205 -10.795 1.583 1.00 11.12 C ATOM 1096 OD1 ASP A 69 7.491 -10.972 0.558 1.00 32.22 O ATOM 1097 OD2 ASP A 69 9.105 -11.599 1.906 1.00 62.45 O ATOM 0 H ASP A 69 7.772 -8.136 -0.317 1.00 41.45 H new ATOM 0 HA ASP A 69 6.378 -8.684 1.314 1.00 12.34 H new ATOM 0 HB2 ASP A 69 8.889 -9.254 2.946 1.00 21.24 H new ATOM 0 HB3 ASP A 69 7.280 -9.850 3.302 1.00 21.24 H new ATOM 1102 N SER A 70 6.921 -5.973 2.033 1.00 50.34 N ATOM 1103 CA SER A 70 6.547 -4.710 2.694 1.00 63.43 C ATOM 1104 C SER A 70 6.005 -3.742 1.626 1.00 24.54 C ATOM 1105 O SER A 70 6.426 -3.809 0.472 1.00 43.32 O ATOM 1106 CB SER A 70 7.772 -4.114 3.419 1.00 54.34 C ATOM 1107 OG SER A 70 8.885 -4.018 2.545 1.00 53.13 O ATOM 0 H SER A 70 7.143 -5.855 1.044 1.00 50.34 H new ATOM 0 HA SER A 70 5.773 -4.886 3.442 1.00 63.43 H new ATOM 0 HB2 SER A 70 7.524 -3.126 3.807 1.00 54.34 H new ATOM 0 HB3 SER A 70 8.031 -4.737 4.275 1.00 54.34 H new ATOM 0 HG SER A 70 9.209 -4.917 2.328 1.00 53.13 H new ATOM 1113 N ILE A 71 5.075 -2.843 2.005 1.00 13.03 N ATOM 1114 CA ILE A 71 4.346 -1.979 1.046 1.00 1.52 C ATOM 1115 C ILE A 71 4.465 -0.507 1.478 1.00 11.45 C ATOM 1116 O ILE A 71 3.834 -0.096 2.449 1.00 30.33 O ATOM 1117 CB ILE A 71 2.817 -2.388 0.957 1.00 53.23 C ATOM 1118 CG1 ILE A 71 2.662 -3.863 0.466 1.00 33.03 C ATOM 1119 CG2 ILE A 71 2.009 -1.414 0.054 1.00 60.33 C ATOM 1120 CD1 ILE A 71 1.239 -4.392 0.474 1.00 24.11 C ATOM 0 H ILE A 71 4.807 -2.693 2.978 1.00 13.03 H new ATOM 0 HA ILE A 71 4.793 -2.110 0.061 1.00 1.52 H new ATOM 0 HB ILE A 71 2.403 -2.317 1.963 1.00 53.23 H new ATOM 0 HG12 ILE A 71 3.056 -3.937 -0.548 1.00 33.03 H new ATOM 0 HG13 ILE A 71 3.277 -4.507 1.095 1.00 33.03 H new ATOM 0 HG21 ILE A 71 0.966 -1.730 0.020 1.00 60.33 H new ATOM 0 HG22 ILE A 71 2.069 -0.405 0.462 1.00 60.33 H new ATOM 0 HG23 ILE A 71 2.424 -1.423 -0.954 1.00 60.33 H new ATOM 0 HD11 ILE A 71 1.232 -5.422 0.118 1.00 24.11 H new ATOM 0 HD12 ILE A 71 0.843 -4.357 1.489 1.00 24.11 H new ATOM 0 HD13 ILE A 71 0.619 -3.778 -0.179 1.00 24.11 H new ATOM 1132 N THR A 72 5.260 0.282 0.746 1.00 10.32 N ATOM 1133 CA THR A 72 5.413 1.713 1.011 1.00 75.24 C ATOM 1134 C THR A 72 4.387 2.484 0.162 1.00 62.41 C ATOM 1135 O THR A 72 4.481 2.499 -1.063 1.00 31.15 O ATOM 1136 CB THR A 72 6.869 2.190 0.669 1.00 11.20 C ATOM 1137 OG1 THR A 72 7.824 1.345 1.335 1.00 63.15 O ATOM 1138 CG2 THR A 72 7.116 3.656 1.074 1.00 1.21 C ATOM 0 H THR A 72 5.812 -0.054 -0.043 1.00 10.32 H new ATOM 0 HA THR A 72 5.239 1.906 2.070 1.00 75.24 H new ATOM 0 HB THR A 72 6.987 2.121 -0.412 1.00 11.20 H new ATOM 0 HG1 THR A 72 8.725 1.549 1.009 1.00 63.15 H new ATOM 0 HG21 THR A 72 8.137 3.938 0.816 1.00 1.21 H new ATOM 0 HG22 THR A 72 6.417 4.303 0.544 1.00 1.21 H new ATOM 0 HG23 THR A 72 6.969 3.766 2.148 1.00 1.21 H new ATOM 1146 N VAL A 73 3.413 3.126 0.823 1.00 13.40 N ATOM 1147 CA VAL A 73 2.328 3.864 0.148 1.00 34.13 C ATOM 1148 C VAL A 73 2.725 5.353 0.133 1.00 72.34 C ATOM 1149 O VAL A 73 3.369 5.834 1.069 1.00 50.34 O ATOM 1150 CB VAL A 73 0.937 3.660 0.876 1.00 41.24 C ATOM 1151 CG1 VAL A 73 -0.211 4.433 0.178 1.00 4.23 C ATOM 1152 CG2 VAL A 73 0.584 2.157 0.996 1.00 51.40 C ATOM 0 H VAL A 73 3.352 3.150 1.841 1.00 13.40 H new ATOM 0 HA VAL A 73 2.200 3.487 -0.867 1.00 34.13 H new ATOM 0 HB VAL A 73 1.045 4.073 1.879 1.00 41.24 H new ATOM 0 HG11 VAL A 73 -1.144 4.261 0.715 1.00 4.23 H new ATOM 0 HG12 VAL A 73 0.016 5.499 0.177 1.00 4.23 H new ATOM 0 HG13 VAL A 73 -0.313 4.083 -0.849 1.00 4.23 H new ATOM 0 HG21 VAL A 73 -0.376 2.048 1.500 1.00 51.40 H new ATOM 0 HG22 VAL A 73 0.523 1.717 0.001 1.00 51.40 H new ATOM 0 HG23 VAL A 73 1.356 1.647 1.572 1.00 51.40 H new ATOM 1162 N THR A 74 2.374 6.066 -0.939 1.00 21.11 N ATOM 1163 CA THR A 74 2.692 7.487 -1.111 1.00 32.31 C ATOM 1164 C THR A 74 1.386 8.283 -1.306 1.00 1.30 C ATOM 1165 O THR A 74 0.536 7.912 -2.135 1.00 62.23 O ATOM 1166 CB THR A 74 3.656 7.686 -2.329 1.00 45.43 C ATOM 1167 OG1 THR A 74 4.848 6.905 -2.127 1.00 34.24 O ATOM 1168 CG2 THR A 74 4.054 9.157 -2.542 1.00 25.05 C ATOM 0 H THR A 74 1.855 5.669 -1.722 1.00 21.11 H new ATOM 0 HA THR A 74 3.200 7.856 -0.220 1.00 32.31 H new ATOM 0 HB THR A 74 3.118 7.359 -3.219 1.00 45.43 H new ATOM 0 HG1 THR A 74 5.452 7.027 -2.889 1.00 34.24 H new ATOM 0 HG21 THR A 74 4.722 9.233 -3.400 1.00 25.05 H new ATOM 0 HG22 THR A 74 3.160 9.753 -2.725 1.00 25.05 H new ATOM 0 HG23 THR A 74 4.562 9.529 -1.652 1.00 25.05 H new ATOM 1176 N LYS A 75 1.245 9.364 -0.522 1.00 33.32 N ATOM 1177 CA LYS A 75 0.103 10.283 -0.588 1.00 42.01 C ATOM 1178 C LYS A 75 0.280 11.256 -1.771 1.00 31.33 C ATOM 1179 O LYS A 75 1.357 11.314 -2.383 1.00 10.12 O ATOM 1180 CB LYS A 75 -0.016 11.073 0.751 1.00 65.01 C ATOM 1181 CG LYS A 75 1.068 12.158 0.919 1.00 43.15 C ATOM 1182 CD LYS A 75 1.118 12.793 2.322 1.00 32.23 C ATOM 1183 CE LYS A 75 1.473 11.800 3.426 1.00 5.30 C ATOM 1184 NZ LYS A 75 1.818 12.477 4.705 1.00 13.50 N ATOM 0 H LYS A 75 1.932 9.626 0.185 1.00 33.32 H new ATOM 0 HA LYS A 75 -0.812 9.710 -0.741 1.00 42.01 H new ATOM 0 HB2 LYS A 75 -0.999 11.541 0.802 1.00 65.01 H new ATOM 0 HB3 LYS A 75 0.048 10.373 1.584 1.00 65.01 H new ATOM 0 HG2 LYS A 75 2.041 11.720 0.696 1.00 43.15 H new ATOM 0 HG3 LYS A 75 0.896 12.944 0.183 1.00 43.15 H new ATOM 0 HD2 LYS A 75 1.850 13.601 2.321 1.00 32.23 H new ATOM 0 HD3 LYS A 75 0.150 13.241 2.544 1.00 32.23 H new ATOM 0 HE2 LYS A 75 0.632 11.126 3.590 1.00 5.30 H new ATOM 0 HE3 LYS A 75 2.315 11.187 3.103 1.00 5.30 H new ATOM 0 HZ1 LYS A 75 2.019 11.762 5.433 1.00 13.50 H new ATOM 0 HZ2 LYS A 75 2.658 13.075 4.566 1.00 13.50 H new ATOM 0 HZ3 LYS A 75 1.019 13.068 5.011 1.00 13.50 H new ATOM 1198 N GLU A 76 -0.778 12.029 -2.064 1.00 3.21 N ATOM 1199 CA GLU A 76 -0.764 13.035 -3.144 1.00 22.33 C ATOM 1200 C GLU A 76 0.063 14.268 -2.732 1.00 5.22 C ATOM 1201 O GLU A 76 1.107 14.562 -3.321 1.00 13.43 O ATOM 1202 CB GLU A 76 -2.218 13.427 -3.530 1.00 21.12 C ATOM 1203 CG GLU A 76 -3.094 12.227 -3.950 1.00 63.03 C ATOM 1204 CD GLU A 76 -4.506 12.625 -4.396 1.00 75.04 C ATOM 1205 OE1 GLU A 76 -4.714 12.886 -5.605 1.00 53.22 O ATOM 1206 OE2 GLU A 76 -5.417 12.694 -3.543 1.00 61.10 O ATOM 0 H GLU A 76 -1.665 11.977 -1.563 1.00 3.21 H new ATOM 0 HA GLU A 76 -0.287 12.601 -4.023 1.00 22.33 H new ATOM 0 HB2 GLU A 76 -2.686 13.929 -2.683 1.00 21.12 H new ATOM 0 HB3 GLU A 76 -2.186 14.146 -4.349 1.00 21.12 H new ATOM 0 HG2 GLU A 76 -2.601 11.695 -4.764 1.00 63.03 H new ATOM 0 HG3 GLU A 76 -3.168 11.532 -3.114 1.00 63.03 H new ATOM 1213 N ASN A 77 -0.390 14.932 -1.670 1.00 63.51 N ATOM 1214 CA ASN A 77 0.186 16.194 -1.163 1.00 54.34 C ATOM 1215 C ASN A 77 0.439 16.056 0.343 1.00 54.20 C ATOM 1216 O ASN A 77 -0.285 15.324 1.019 1.00 4.23 O ATOM 1217 CB ASN A 77 -0.785 17.372 -1.476 1.00 62.20 C ATOM 1218 CG ASN A 77 -2.203 17.155 -0.923 1.00 61.21 C ATOM 1219 OD1 ASN A 77 -2.529 17.580 0.179 1.00 5.33 O ATOM 1220 ND2 ASN A 77 -3.044 16.460 -1.670 1.00 60.22 N ATOM 0 H ASN A 77 -1.185 14.607 -1.120 1.00 63.51 H new ATOM 0 HA ASN A 77 1.136 16.405 -1.654 1.00 54.34 H new ATOM 0 HB2 ASN A 77 -0.376 18.292 -1.057 1.00 62.20 H new ATOM 0 HB3 ASN A 77 -0.841 17.510 -2.556 1.00 62.20 H new ATOM 0 HD21 ASN A 77 -3.987 16.267 -1.332 1.00 60.22 H new ATOM 0 HD22 ASN A 77 -2.750 16.116 -2.584 1.00 60.22 H new ATOM 1227 N GLU A 78 1.445 16.781 0.874 1.00 51.03 N ATOM 1228 CA GLU A 78 1.900 16.631 2.280 1.00 31.50 C ATOM 1229 C GLU A 78 0.922 17.276 3.298 1.00 5.23 C ATOM 1230 O GLU A 78 1.167 17.234 4.513 1.00 70.33 O ATOM 1231 CB GLU A 78 3.329 17.207 2.453 1.00 2.51 C ATOM 1232 CG GLU A 78 4.383 16.603 1.493 1.00 63.34 C ATOM 1233 CD GLU A 78 5.829 17.017 1.813 1.00 41.12 C ATOM 1234 OE1 GLU A 78 6.089 18.235 1.939 1.00 65.22 O ATOM 1235 OE2 GLU A 78 6.707 16.139 1.959 1.00 40.14 O ATOM 0 H GLU A 78 1.965 17.484 0.348 1.00 51.03 H new ATOM 0 HA GLU A 78 1.918 15.563 2.495 1.00 31.50 H new ATOM 0 HB2 GLU A 78 3.293 18.286 2.302 1.00 2.51 H new ATOM 0 HB3 GLU A 78 3.653 17.040 3.480 1.00 2.51 H new ATOM 0 HG2 GLU A 78 4.311 15.516 1.528 1.00 63.34 H new ATOM 0 HG3 GLU A 78 4.146 16.906 0.473 1.00 63.34 H new ATOM 1242 N GLU A 79 -0.179 17.873 2.792 1.00 71.42 N ATOM 1243 CA GLU A 79 -1.293 18.369 3.630 1.00 32.14 C ATOM 1244 C GLU A 79 -2.118 17.176 4.170 1.00 23.02 C ATOM 1245 O GLU A 79 -2.803 17.282 5.192 1.00 72.13 O ATOM 1246 CB GLU A 79 -2.188 19.335 2.806 1.00 60.24 C ATOM 1247 CG GLU A 79 -3.333 20.014 3.584 1.00 11.20 C ATOM 1248 CD GLU A 79 -2.834 20.981 4.669 1.00 3.54 C ATOM 1249 OE1 GLU A 79 -2.460 22.128 4.329 1.00 44.41 O ATOM 1250 OE2 GLU A 79 -2.809 20.607 5.866 1.00 24.43 O ATOM 0 H GLU A 79 -0.321 18.024 1.793 1.00 71.42 H new ATOM 0 HA GLU A 79 -0.888 18.919 4.480 1.00 32.14 H new ATOM 0 HB2 GLU A 79 -1.554 20.111 2.378 1.00 60.24 H new ATOM 0 HB3 GLU A 79 -2.619 18.780 1.973 1.00 60.24 H new ATOM 0 HG2 GLU A 79 -3.967 20.558 2.884 1.00 11.20 H new ATOM 0 HG3 GLU A 79 -3.954 19.247 4.047 1.00 11.20 H new ATOM 1257 N LEU A 80 -2.026 16.032 3.467 1.00 60.24 N ATOM 1258 CA LEU A 80 -2.656 14.777 3.877 1.00 51.12 C ATOM 1259 C LEU A 80 -1.833 14.168 5.006 1.00 12.24 C ATOM 1260 O LEU A 80 -0.653 13.872 4.828 1.00 32.14 O ATOM 1261 CB LEU A 80 -2.710 13.811 2.675 1.00 65.34 C ATOM 1262 CG LEU A 80 -3.475 14.344 1.435 1.00 72.20 C ATOM 1263 CD1 LEU A 80 -3.182 13.483 0.208 1.00 3.32 C ATOM 1264 CD2 LEU A 80 -4.987 14.443 1.697 1.00 5.14 C ATOM 0 H LEU A 80 -1.507 15.959 2.592 1.00 60.24 H new ATOM 0 HA LEU A 80 -3.673 14.959 4.223 1.00 51.12 H new ATOM 0 HB2 LEU A 80 -1.690 13.570 2.377 1.00 65.34 H new ATOM 0 HB3 LEU A 80 -3.176 12.880 2.998 1.00 65.34 H new ATOM 0 HG LEU A 80 -3.117 15.354 1.236 1.00 72.20 H new ATOM 0 HD11 LEU A 80 -3.728 13.874 -0.650 1.00 3.32 H new ATOM 0 HD12 LEU A 80 -2.113 13.502 -0.003 1.00 3.32 H new ATOM 0 HD13 LEU A 80 -3.495 12.457 0.400 1.00 3.32 H new ATOM 0 HD21 LEU A 80 -5.487 14.820 0.805 1.00 5.14 H new ATOM 0 HD22 LEU A 80 -5.379 13.456 1.943 1.00 5.14 H new ATOM 0 HD23 LEU A 80 -5.168 15.123 2.529 1.00 5.14 H new ATOM 1276 N ASP A 81 -2.440 14.048 6.169 1.00 2.24 N ATOM 1277 CA ASP A 81 -1.787 13.443 7.345 1.00 12.12 C ATOM 1278 C ASP A 81 -1.990 11.921 7.312 1.00 34.31 C ATOM 1279 O ASP A 81 -3.110 11.465 7.060 1.00 34.43 O ATOM 1280 CB ASP A 81 -2.353 14.051 8.650 1.00 65.22 C ATOM 1281 CG ASP A 81 -1.595 13.576 9.904 1.00 41.02 C ATOM 1282 OD1 ASP A 81 -0.433 14.010 10.108 1.00 20.03 O ATOM 1283 OD2 ASP A 81 -2.140 12.762 10.681 1.00 73.43 O ATOM 0 H ASP A 81 -3.396 14.361 6.340 1.00 2.24 H new ATOM 0 HA ASP A 81 -0.718 13.656 7.317 1.00 12.12 H new ATOM 0 HB2 ASP A 81 -2.304 15.138 8.591 1.00 65.22 H new ATOM 0 HB3 ASP A 81 -3.406 13.784 8.744 1.00 65.22 H new ATOM 1288 N TRP A 82 -0.917 11.146 7.582 1.00 51.11 N ATOM 1289 CA TRP A 82 -0.933 9.670 7.459 1.00 64.20 C ATOM 1290 C TRP A 82 -1.953 9.006 8.399 1.00 62.15 C ATOM 1291 O TRP A 82 -2.534 7.994 8.026 1.00 41.24 O ATOM 1292 CB TRP A 82 0.492 9.039 7.646 1.00 42.44 C ATOM 1293 CG TRP A 82 1.309 8.965 6.374 1.00 24.01 C ATOM 1294 CD1 TRP A 82 2.551 9.494 6.142 1.00 61.11 C ATOM 1295 CD2 TRP A 82 0.921 8.301 5.155 1.00 44.53 C ATOM 1296 NE1 TRP A 82 2.949 9.208 4.859 1.00 61.24 N ATOM 1297 CE2 TRP A 82 1.965 8.477 4.236 1.00 24.44 C ATOM 1298 CE3 TRP A 82 -0.215 7.578 4.753 1.00 42.21 C ATOM 1299 CZ2 TRP A 82 1.915 7.958 2.948 1.00 72.23 C ATOM 1300 CZ3 TRP A 82 -0.259 7.065 3.473 1.00 61.14 C ATOM 1301 CH2 TRP A 82 0.799 7.261 2.583 1.00 22.32 C ATOM 0 H TRP A 82 -0.020 11.522 7.890 1.00 51.11 H new ATOM 0 HA TRP A 82 -1.254 9.466 6.437 1.00 64.20 H new ATOM 0 HB2 TRP A 82 1.042 9.623 8.384 1.00 42.44 H new ATOM 0 HB3 TRP A 82 0.382 8.034 8.053 1.00 42.44 H new ATOM 0 HD1 TRP A 82 3.131 10.053 6.861 1.00 61.11 H new ATOM 0 HE1 TRP A 82 3.833 9.492 4.436 1.00 61.24 H new ATOM 0 HE3 TRP A 82 -1.039 7.427 5.434 1.00 42.21 H new ATOM 0 HZ2 TRP A 82 2.733 8.101 2.257 1.00 72.23 H new ATOM 0 HZ3 TRP A 82 -1.125 6.503 3.155 1.00 61.14 H new ATOM 0 HH2 TRP A 82 0.733 6.853 1.585 1.00 22.32 H new ATOM 1312 N ASN A 83 -2.202 9.609 9.577 1.00 72.33 N ATOM 1313 CA ASN A 83 -3.148 9.063 10.588 1.00 43.21 C ATOM 1314 C ASN A 83 -4.591 8.987 10.036 1.00 11.11 C ATOM 1315 O ASN A 83 -5.393 8.190 10.515 1.00 33.35 O ATOM 1316 CB ASN A 83 -3.086 9.915 11.888 1.00 23.14 C ATOM 1317 CG ASN A 83 -4.098 9.499 12.975 1.00 51.11 C ATOM 1318 OD1 ASN A 83 -5.196 10.053 13.064 1.00 20.25 O ATOM 1319 ND2 ASN A 83 -3.745 8.520 13.800 1.00 52.32 N ATOM 0 H ASN A 83 -1.760 10.483 9.860 1.00 72.33 H new ATOM 0 HA ASN A 83 -2.845 8.043 10.824 1.00 43.21 H new ATOM 0 HB2 ASN A 83 -2.080 9.850 12.302 1.00 23.14 H new ATOM 0 HB3 ASN A 83 -3.258 10.960 11.631 1.00 23.14 H new ATOM 0 HD21 ASN A 83 -4.388 8.210 14.528 1.00 52.32 H new ATOM 0 HD22 ASN A 83 -2.831 8.078 13.705 1.00 52.32 H new ATOM 1326 N LEU A 84 -4.895 9.812 9.016 1.00 10.52 N ATOM 1327 CA LEU A 84 -6.210 9.820 8.344 1.00 75.44 C ATOM 1328 C LEU A 84 -6.361 8.560 7.458 1.00 13.51 C ATOM 1329 O LEU A 84 -7.392 7.876 7.496 1.00 0.24 O ATOM 1330 CB LEU A 84 -6.360 11.117 7.496 1.00 61.21 C ATOM 1331 CG LEU A 84 -6.244 12.468 8.284 1.00 43.52 C ATOM 1332 CD1 LEU A 84 -6.384 13.692 7.341 1.00 11.24 C ATOM 1333 CD2 LEU A 84 -7.262 12.527 9.451 1.00 44.11 C ATOM 0 H LEU A 84 -4.237 10.491 8.634 1.00 10.52 H new ATOM 0 HA LEU A 84 -7.000 9.805 9.095 1.00 75.44 H new ATOM 0 HB2 LEU A 84 -5.599 11.108 6.715 1.00 61.21 H new ATOM 0 HB3 LEU A 84 -7.329 11.092 6.997 1.00 61.21 H new ATOM 0 HG LEU A 84 -5.245 12.510 8.719 1.00 43.52 H new ATOM 0 HD11 LEU A 84 -6.298 14.610 7.922 1.00 11.24 H new ATOM 0 HD12 LEU A 84 -5.596 13.664 6.589 1.00 11.24 H new ATOM 0 HD13 LEU A 84 -7.356 13.663 6.849 1.00 11.24 H new ATOM 0 HD21 LEU A 84 -7.157 13.475 9.978 1.00 44.11 H new ATOM 0 HD22 LEU A 84 -8.274 12.442 9.056 1.00 44.11 H new ATOM 0 HD23 LEU A 84 -7.072 11.705 10.141 1.00 44.11 H new ATOM 1345 N LEU A 85 -5.297 8.251 6.693 1.00 74.02 N ATOM 1346 CA LEU A 85 -5.279 7.118 5.745 1.00 61.12 C ATOM 1347 C LEU A 85 -5.062 5.768 6.472 1.00 44.40 C ATOM 1348 O LEU A 85 -5.622 4.764 6.048 1.00 52.25 O ATOM 1349 CB LEU A 85 -4.182 7.319 4.649 1.00 23.13 C ATOM 1350 CG LEU A 85 -4.359 8.554 3.678 1.00 52.23 C ATOM 1351 CD1 LEU A 85 -3.927 9.883 4.330 1.00 70.13 C ATOM 1352 CD2 LEU A 85 -3.635 8.323 2.327 1.00 20.03 C ATOM 0 H LEU A 85 -4.425 8.779 6.714 1.00 74.02 H new ATOM 0 HA LEU A 85 -6.256 7.090 5.262 1.00 61.12 H new ATOM 0 HB2 LEU A 85 -3.218 7.415 5.148 1.00 23.13 H new ATOM 0 HB3 LEU A 85 -4.138 6.414 4.043 1.00 23.13 H new ATOM 0 HG LEU A 85 -5.426 8.639 3.473 1.00 52.23 H new ATOM 0 HD11 LEU A 85 -4.069 10.699 3.621 1.00 70.13 H new ATOM 0 HD12 LEU A 85 -4.531 10.065 5.219 1.00 70.13 H new ATOM 0 HD13 LEU A 85 -2.876 9.825 4.611 1.00 70.13 H new ATOM 0 HD21 LEU A 85 -3.778 9.192 1.684 1.00 20.03 H new ATOM 0 HD22 LEU A 85 -2.570 8.175 2.506 1.00 20.03 H new ATOM 0 HD23 LEU A 85 -4.047 7.440 1.840 1.00 20.03 H new ATOM 1364 N LYS A 86 -4.262 5.778 7.574 1.00 23.23 N ATOM 1365 CA LYS A 86 -3.840 4.549 8.308 1.00 33.24 C ATOM 1366 C LYS A 86 -4.998 3.562 8.633 1.00 15.32 C ATOM 1367 O LYS A 86 -4.921 2.433 8.191 1.00 64.21 O ATOM 1368 CB LYS A 86 -3.045 4.888 9.611 1.00 21.23 C ATOM 1369 CG LYS A 86 -1.589 5.323 9.379 1.00 53.20 C ATOM 1370 CD LYS A 86 -0.912 5.795 10.687 1.00 62.14 C ATOM 1371 CE LYS A 86 0.516 6.299 10.469 1.00 55.54 C ATOM 1372 NZ LYS A 86 1.115 6.853 11.714 1.00 10.55 N ATOM 0 H LYS A 86 -3.891 6.638 7.979 1.00 23.23 H new ATOM 0 HA LYS A 86 -3.181 4.033 7.609 1.00 33.24 H new ATOM 0 HB2 LYS A 86 -3.567 5.683 10.143 1.00 21.23 H new ATOM 0 HB3 LYS A 86 -3.050 4.013 10.261 1.00 21.23 H new ATOM 0 HG2 LYS A 86 -1.024 4.491 8.958 1.00 53.20 H new ATOM 0 HG3 LYS A 86 -1.564 6.129 8.646 1.00 53.20 H new ATOM 0 HD2 LYS A 86 -1.509 6.591 11.133 1.00 62.14 H new ATOM 0 HD3 LYS A 86 -0.896 4.971 11.400 1.00 62.14 H new ATOM 0 HE2 LYS A 86 1.136 5.481 10.103 1.00 55.54 H new ATOM 0 HE3 LYS A 86 0.514 7.068 9.696 1.00 55.54 H new ATOM 0 HZ1 LYS A 86 2.082 7.182 11.518 1.00 10.55 H new ATOM 0 HZ2 LYS A 86 0.540 7.651 12.051 1.00 10.55 H new ATOM 0 HZ3 LYS A 86 1.143 6.114 12.445 1.00 10.55 H new ATOM 1386 N PRO A 87 -6.105 3.958 9.373 1.00 62.44 N ATOM 1387 CA PRO A 87 -7.164 2.987 9.782 1.00 4.14 C ATOM 1388 C PRO A 87 -7.878 2.355 8.563 1.00 51.32 C ATOM 1389 O PRO A 87 -8.295 1.187 8.618 1.00 44.53 O ATOM 1390 CB PRO A 87 -8.140 3.842 10.641 1.00 71.23 C ATOM 1391 CG PRO A 87 -7.924 5.251 10.177 1.00 43.43 C ATOM 1392 CD PRO A 87 -6.453 5.337 9.840 1.00 53.21 C ATOM 0 HA PRO A 87 -6.756 2.137 10.329 1.00 4.14 H new ATOM 0 HB2 PRO A 87 -9.174 3.531 10.493 1.00 71.23 H new ATOM 0 HB3 PRO A 87 -7.925 3.738 11.705 1.00 71.23 H new ATOM 0 HG2 PRO A 87 -8.541 5.478 9.308 1.00 43.43 H new ATOM 0 HG3 PRO A 87 -8.192 5.967 10.954 1.00 43.43 H new ATOM 0 HD2 PRO A 87 -6.264 6.080 9.065 1.00 53.21 H new ATOM 0 HD3 PRO A 87 -5.861 5.625 10.709 1.00 53.21 H new ATOM 1400 N ASP A 88 -7.987 3.134 7.465 1.00 3.42 N ATOM 1401 CA ASP A 88 -8.644 2.694 6.227 1.00 51.00 C ATOM 1402 C ASP A 88 -7.726 1.727 5.433 1.00 12.33 C ATOM 1403 O ASP A 88 -8.180 0.670 4.975 1.00 53.13 O ATOM 1404 CB ASP A 88 -9.034 3.943 5.382 1.00 64.35 C ATOM 1405 CG ASP A 88 -10.079 3.685 4.273 1.00 31.10 C ATOM 1406 OD1 ASP A 88 -10.535 2.527 4.081 1.00 21.03 O ATOM 1407 OD2 ASP A 88 -10.465 4.658 3.592 1.00 45.12 O ATOM 0 H ASP A 88 -7.620 4.085 7.418 1.00 3.42 H new ATOM 0 HA ASP A 88 -9.552 2.143 6.471 1.00 51.00 H new ATOM 0 HB2 ASP A 88 -9.421 4.710 6.053 1.00 64.35 H new ATOM 0 HB3 ASP A 88 -8.132 4.347 4.923 1.00 64.35 H new ATOM 1412 N ILE A 89 -6.426 2.095 5.310 1.00 13.14 N ATOM 1413 CA ILE A 89 -5.382 1.263 4.653 1.00 13.44 C ATOM 1414 C ILE A 89 -5.194 -0.065 5.427 1.00 72.51 C ATOM 1415 O ILE A 89 -5.025 -1.131 4.824 1.00 75.52 O ATOM 1416 CB ILE A 89 -4.005 2.054 4.530 1.00 41.45 C ATOM 1417 CG1 ILE A 89 -4.146 3.246 3.521 1.00 22.21 C ATOM 1418 CG2 ILE A 89 -2.821 1.133 4.128 1.00 34.10 C ATOM 1419 CD1 ILE A 89 -2.882 4.064 3.287 1.00 25.31 C ATOM 0 H ILE A 89 -6.069 2.982 5.665 1.00 13.14 H new ATOM 0 HA ILE A 89 -5.715 1.031 3.641 1.00 13.44 H new ATOM 0 HB ILE A 89 -3.775 2.449 5.519 1.00 41.45 H new ATOM 0 HG12 ILE A 89 -4.483 2.850 2.563 1.00 22.21 H new ATOM 0 HG13 ILE A 89 -4.928 3.914 3.883 1.00 22.21 H new ATOM 0 HG21 ILE A 89 -1.908 1.724 4.059 1.00 34.10 H new ATOM 0 HG22 ILE A 89 -2.694 0.355 4.881 1.00 34.10 H new ATOM 0 HG23 ILE A 89 -3.030 0.673 3.162 1.00 34.10 H new ATOM 0 HD11 ILE A 89 -3.091 4.861 2.574 1.00 25.31 H new ATOM 0 HD12 ILE A 89 -2.550 4.499 4.230 1.00 25.31 H new ATOM 0 HD13 ILE A 89 -2.099 3.418 2.890 1.00 25.31 H new ATOM 1431 N TYR A 90 -5.281 0.023 6.767 1.00 3.12 N ATOM 1432 CA TYR A 90 -5.205 -1.141 7.675 1.00 73.32 C ATOM 1433 C TYR A 90 -6.375 -2.094 7.414 1.00 5.50 C ATOM 1434 O TYR A 90 -6.165 -3.282 7.185 1.00 4.50 O ATOM 1435 CB TYR A 90 -5.181 -0.685 9.174 1.00 1.44 C ATOM 1436 CG TYR A 90 -3.782 -0.346 9.739 1.00 23.04 C ATOM 1437 CD1 TYR A 90 -2.844 0.407 9.016 1.00 15.02 C ATOM 1438 CD2 TYR A 90 -3.398 -0.796 11.007 1.00 41.43 C ATOM 1439 CE1 TYR A 90 -1.596 0.695 9.542 1.00 25.44 C ATOM 1440 CE2 TYR A 90 -2.154 -0.506 11.525 1.00 51.34 C ATOM 1441 CZ TYR A 90 -1.262 0.237 10.793 1.00 62.11 C ATOM 1442 OH TYR A 90 -0.023 0.513 11.320 1.00 33.23 O ATOM 0 H TYR A 90 -5.407 0.909 7.256 1.00 3.12 H new ATOM 0 HA TYR A 90 -4.274 -1.672 7.475 1.00 73.32 H new ATOM 0 HB2 TYR A 90 -5.820 0.192 9.280 1.00 1.44 H new ATOM 0 HB3 TYR A 90 -5.620 -1.475 9.784 1.00 1.44 H new ATOM 0 HD1 TYR A 90 -3.100 0.769 8.031 1.00 15.02 H new ATOM 0 HD2 TYR A 90 -4.091 -1.383 11.592 1.00 41.43 H new ATOM 0 HE1 TYR A 90 -0.888 1.277 8.971 1.00 25.44 H new ATOM 0 HE2 TYR A 90 -1.881 -0.863 12.507 1.00 51.34 H new ATOM 0 HH TYR A 90 0.352 -0.300 11.718 1.00 33.23 H new ATOM 1452 N ALA A 91 -7.598 -1.537 7.414 1.00 34.51 N ATOM 1453 CA ALA A 91 -8.836 -2.308 7.189 1.00 71.54 C ATOM 1454 C ALA A 91 -8.799 -3.028 5.822 1.00 53.34 C ATOM 1455 O ALA A 91 -9.165 -4.196 5.730 1.00 51.15 O ATOM 1456 CB ALA A 91 -10.057 -1.381 7.287 1.00 62.02 C ATOM 0 H ALA A 91 -7.758 -0.542 7.570 1.00 34.51 H new ATOM 0 HA ALA A 91 -8.915 -3.072 7.962 1.00 71.54 H new ATOM 0 HB1 ALA A 91 -10.966 -1.958 7.120 1.00 62.02 H new ATOM 0 HB2 ALA A 91 -10.092 -0.928 8.278 1.00 62.02 H new ATOM 0 HB3 ALA A 91 -9.981 -0.598 6.533 1.00 62.02 H new ATOM 1462 N THR A 92 -8.308 -2.306 4.794 1.00 63.21 N ATOM 1463 CA THR A 92 -8.169 -2.807 3.409 1.00 34.52 C ATOM 1464 C THR A 92 -7.195 -4.016 3.314 1.00 54.31 C ATOM 1465 O THR A 92 -7.564 -5.079 2.799 1.00 41.31 O ATOM 1466 CB THR A 92 -7.683 -1.646 2.470 1.00 3.52 C ATOM 1467 OG1 THR A 92 -8.646 -0.576 2.491 1.00 71.44 O ATOM 1468 CG2 THR A 92 -7.469 -2.091 1.013 1.00 65.23 C ATOM 0 H THR A 92 -7.991 -1.343 4.904 1.00 63.21 H new ATOM 0 HA THR A 92 -9.149 -3.157 3.086 1.00 34.52 H new ATOM 0 HB THR A 92 -6.717 -1.318 2.855 1.00 3.52 H new ATOM 0 HG1 THR A 92 -8.573 -0.087 3.337 1.00 71.44 H new ATOM 0 HG21 THR A 92 -7.134 -1.241 0.419 1.00 65.23 H new ATOM 0 HG22 THR A 92 -6.715 -2.877 0.980 1.00 65.23 H new ATOM 0 HG23 THR A 92 -8.407 -2.470 0.607 1.00 65.23 H new ATOM 1476 N ILE A 93 -5.959 -3.832 3.831 1.00 21.34 N ATOM 1477 CA ILE A 93 -4.873 -4.832 3.706 1.00 41.22 C ATOM 1478 C ILE A 93 -5.160 -6.075 4.589 1.00 44.12 C ATOM 1479 O ILE A 93 -5.039 -7.215 4.116 1.00 23.24 O ATOM 1480 CB ILE A 93 -3.458 -4.204 4.041 1.00 4.51 C ATOM 1481 CG1 ILE A 93 -3.124 -3.012 3.081 1.00 60.40 C ATOM 1482 CG2 ILE A 93 -2.326 -5.259 3.987 1.00 74.33 C ATOM 1483 CD1 ILE A 93 -1.773 -2.345 3.320 1.00 34.31 C ATOM 0 H ILE A 93 -5.687 -2.993 4.343 1.00 21.34 H new ATOM 0 HA ILE A 93 -4.843 -5.157 2.666 1.00 41.22 H new ATOM 0 HB ILE A 93 -3.519 -3.827 5.062 1.00 4.51 H new ATOM 0 HG12 ILE A 93 -3.156 -3.374 2.053 1.00 60.40 H new ATOM 0 HG13 ILE A 93 -3.906 -2.258 3.178 1.00 60.40 H new ATOM 0 HG21 ILE A 93 -1.374 -4.784 4.223 1.00 74.33 H new ATOM 0 HG22 ILE A 93 -2.528 -6.047 4.713 1.00 74.33 H new ATOM 0 HG23 ILE A 93 -2.278 -5.690 2.987 1.00 74.33 H new ATOM 0 HD11 ILE A 93 -1.637 -1.533 2.606 1.00 34.31 H new ATOM 0 HD12 ILE A 93 -1.739 -1.946 4.334 1.00 34.31 H new ATOM 0 HD13 ILE A 93 -0.977 -3.079 3.192 1.00 34.31 H new ATOM 1495 N MET A 94 -5.583 -5.847 5.857 1.00 53.42 N ATOM 1496 CA MET A 94 -5.913 -6.946 6.804 1.00 72.24 C ATOM 1497 C MET A 94 -7.067 -7.818 6.260 1.00 13.42 C ATOM 1498 O MET A 94 -7.014 -9.047 6.360 1.00 1.53 O ATOM 1499 CB MET A 94 -6.266 -6.413 8.229 1.00 45.35 C ATOM 1500 CG MET A 94 -5.119 -5.700 8.967 1.00 32.13 C ATOM 1501 SD MET A 94 -5.552 -5.235 10.668 1.00 24.01 S ATOM 1502 CE MET A 94 -7.009 -4.201 10.446 1.00 0.00 C ATOM 0 H MET A 94 -5.704 -4.913 6.249 1.00 53.42 H new ATOM 0 HA MET A 94 -5.018 -7.561 6.895 1.00 72.24 H new ATOM 0 HB2 MET A 94 -7.105 -5.723 8.143 1.00 45.35 H new ATOM 0 HB3 MET A 94 -6.603 -7.251 8.839 1.00 45.35 H new ATOM 0 HG2 MET A 94 -4.245 -6.352 8.985 1.00 32.13 H new ATOM 0 HG3 MET A 94 -4.838 -4.805 8.412 1.00 32.13 H new ATOM 0 HE1 MET A 94 -6.913 -3.302 11.054 1.00 0.00 H new ATOM 0 HE2 MET A 94 -7.100 -3.921 9.396 1.00 0.00 H new ATOM 0 HE3 MET A 94 -7.897 -4.753 10.753 1.00 0.00 H new ATOM 1512 N ASP A 95 -8.098 -7.152 5.681 1.00 12.33 N ATOM 1513 CA ASP A 95 -9.247 -7.826 5.025 1.00 64.53 C ATOM 1514 C ASP A 95 -8.799 -8.676 3.821 1.00 24.20 C ATOM 1515 O ASP A 95 -9.270 -9.796 3.641 1.00 72.41 O ATOM 1516 CB ASP A 95 -10.294 -6.777 4.562 1.00 2.25 C ATOM 1517 CG ASP A 95 -11.548 -7.402 3.908 1.00 24.23 C ATOM 1518 OD1 ASP A 95 -12.490 -7.797 4.644 1.00 10.12 O ATOM 1519 OD2 ASP A 95 -11.606 -7.503 2.662 1.00 30.21 O ATOM 0 H ASP A 95 -8.156 -6.134 5.656 1.00 12.33 H new ATOM 0 HA ASP A 95 -9.697 -8.492 5.761 1.00 64.53 H new ATOM 0 HB2 ASP A 95 -10.602 -6.179 5.420 1.00 2.25 H new ATOM 0 HB3 ASP A 95 -9.825 -6.097 3.852 1.00 2.25 H new ATOM 1524 N PHE A 96 -7.893 -8.105 3.008 1.00 53.21 N ATOM 1525 CA PHE A 96 -7.394 -8.722 1.760 1.00 12.41 C ATOM 1526 C PHE A 96 -6.743 -10.091 2.038 1.00 30.13 C ATOM 1527 O PHE A 96 -7.084 -11.105 1.404 1.00 43.43 O ATOM 1528 CB PHE A 96 -6.383 -7.760 1.079 1.00 53.35 C ATOM 1529 CG PHE A 96 -5.864 -8.227 -0.279 1.00 11.34 C ATOM 1530 CD1 PHE A 96 -6.590 -7.980 -1.444 1.00 23.22 C ATOM 1531 CD2 PHE A 96 -4.653 -8.912 -0.395 1.00 74.52 C ATOM 1532 CE1 PHE A 96 -6.125 -8.399 -2.676 1.00 2.34 C ATOM 1533 CE2 PHE A 96 -4.194 -9.329 -1.625 1.00 64.41 C ATOM 1534 CZ PHE A 96 -4.925 -9.073 -2.765 1.00 3.30 C ATOM 0 H PHE A 96 -7.480 -7.192 3.199 1.00 53.21 H new ATOM 0 HA PHE A 96 -8.237 -8.892 1.090 1.00 12.41 H new ATOM 0 HB2 PHE A 96 -6.857 -6.787 0.955 1.00 53.35 H new ATOM 0 HB3 PHE A 96 -5.533 -7.618 1.747 1.00 53.35 H new ATOM 0 HD1 PHE A 96 -7.531 -7.453 -1.382 1.00 23.22 H new ATOM 0 HD2 PHE A 96 -4.069 -9.117 0.490 1.00 74.52 H new ATOM 0 HE1 PHE A 96 -6.700 -8.199 -3.568 1.00 2.34 H new ATOM 0 HE2 PHE A 96 -3.256 -9.860 -1.696 1.00 64.41 H new ATOM 0 HZ PHE A 96 -4.559 -9.400 -3.727 1.00 3.30 H new ATOM 1544 N PHE A 97 -5.818 -10.101 3.010 1.00 73.41 N ATOM 1545 CA PHE A 97 -5.088 -11.321 3.412 1.00 20.15 C ATOM 1546 C PHE A 97 -5.981 -12.270 4.230 1.00 24.35 C ATOM 1547 O PHE A 97 -5.761 -13.484 4.218 1.00 50.13 O ATOM 1548 CB PHE A 97 -3.807 -10.955 4.195 1.00 64.54 C ATOM 1549 CG PHE A 97 -2.695 -10.332 3.335 1.00 53.43 C ATOM 1550 CD1 PHE A 97 -2.654 -8.965 3.083 1.00 33.25 C ATOM 1551 CD2 PHE A 97 -1.680 -11.126 2.791 1.00 61.52 C ATOM 1552 CE1 PHE A 97 -1.641 -8.411 2.326 1.00 35.13 C ATOM 1553 CE2 PHE A 97 -0.668 -10.568 2.032 1.00 11.41 C ATOM 1554 CZ PHE A 97 -0.651 -9.212 1.804 1.00 71.20 C ATOM 0 H PHE A 97 -5.553 -9.270 3.539 1.00 73.41 H new ATOM 0 HA PHE A 97 -4.797 -11.849 2.504 1.00 20.15 H new ATOM 0 HB2 PHE A 97 -4.069 -10.257 4.991 1.00 64.54 H new ATOM 0 HB3 PHE A 97 -3.419 -11.854 4.674 1.00 64.54 H new ATOM 0 HD1 PHE A 97 -3.427 -8.327 3.486 1.00 33.25 H new ATOM 0 HD2 PHE A 97 -1.687 -12.192 2.967 1.00 61.52 H new ATOM 0 HE1 PHE A 97 -1.625 -7.347 2.143 1.00 35.13 H new ATOM 0 HE2 PHE A 97 0.108 -11.196 1.619 1.00 11.41 H new ATOM 0 HZ PHE A 97 0.141 -8.775 1.214 1.00 71.20 H new ATOM 1564 N ALA A 98 -6.987 -11.717 4.935 1.00 4.21 N ATOM 1565 CA ALA A 98 -8.004 -12.522 5.649 1.00 13.53 C ATOM 1566 C ALA A 98 -8.886 -13.287 4.648 1.00 22.44 C ATOM 1567 O ALA A 98 -9.304 -14.419 4.908 1.00 4.44 O ATOM 1568 CB ALA A 98 -8.863 -11.631 6.559 1.00 33.24 C ATOM 0 H ALA A 98 -7.119 -10.710 5.027 1.00 4.21 H new ATOM 0 HA ALA A 98 -7.487 -13.248 6.276 1.00 13.53 H new ATOM 0 HB1 ALA A 98 -9.603 -12.243 7.074 1.00 33.24 H new ATOM 0 HB2 ALA A 98 -8.225 -11.139 7.293 1.00 33.24 H new ATOM 0 HB3 ALA A 98 -9.371 -10.878 5.956 1.00 33.24 H new ATOM 1574 N SER A 99 -9.132 -12.654 3.487 1.00 15.34 N ATOM 1575 CA SER A 99 -9.879 -13.263 2.373 1.00 71.23 C ATOM 1576 C SER A 99 -8.976 -14.251 1.617 1.00 61.34 C ATOM 1577 O SER A 99 -9.464 -15.182 0.962 1.00 54.43 O ATOM 1578 CB SER A 99 -10.387 -12.161 1.414 1.00 11.04 C ATOM 1579 OG SER A 99 -11.173 -11.195 2.099 1.00 71.11 O ATOM 0 H SER A 99 -8.817 -11.703 3.295 1.00 15.34 H new ATOM 0 HA SER A 99 -10.737 -13.804 2.771 1.00 71.23 H new ATOM 0 HB2 SER A 99 -9.537 -11.670 0.940 1.00 11.04 H new ATOM 0 HB3 SER A 99 -10.978 -12.614 0.618 1.00 11.04 H new ATOM 0 HG SER A 99 -10.595 -10.650 2.673 1.00 71.11 H new ATOM 1585 N GLY A 100 -7.651 -14.028 1.732 1.00 2.23 N ATOM 1586 CA GLY A 100 -6.651 -14.874 1.091 1.00 22.44 C ATOM 1587 C GLY A 100 -6.603 -14.679 -0.413 1.00 15.12 C ATOM 1588 O GLY A 100 -6.296 -15.621 -1.156 1.00 33.23 O ATOM 0 H GLY A 100 -7.256 -13.258 2.271 1.00 2.23 H new ATOM 0 HA2 GLY A 100 -5.670 -14.656 1.514 1.00 22.44 H new ATOM 0 HA3 GLY A 100 -6.868 -15.919 1.312 1.00 22.44 H new ATOM 1592 N LEU A 101 -6.917 -13.448 -0.857 1.00 43.22 N ATOM 1593 CA LEU A 101 -6.914 -13.079 -2.281 1.00 25.12 C ATOM 1594 C LEU A 101 -5.458 -13.037 -2.794 1.00 32.52 C ATOM 1595 O LEU A 101 -4.584 -12.549 -2.066 1.00 22.35 O ATOM 1596 CB LEU A 101 -7.594 -11.697 -2.494 1.00 45.01 C ATOM 1597 CG LEU A 101 -9.071 -11.563 -2.022 1.00 32.13 C ATOM 1598 CD1 LEU A 101 -9.625 -10.156 -2.344 1.00 2.30 C ATOM 1599 CD2 LEU A 101 -9.958 -12.679 -2.618 1.00 23.31 C ATOM 0 H LEU A 101 -7.180 -12.682 -0.237 1.00 43.22 H new ATOM 0 HA LEU A 101 -7.479 -13.825 -2.840 1.00 25.12 H new ATOM 0 HB2 LEU A 101 -7.002 -10.943 -1.975 1.00 45.01 H new ATOM 0 HB3 LEU A 101 -7.554 -11.458 -3.557 1.00 45.01 H new ATOM 0 HG LEU A 101 -9.091 -11.686 -0.939 1.00 32.13 H new ATOM 0 HD11 LEU A 101 -10.659 -10.086 -2.005 1.00 2.30 H new ATOM 0 HD12 LEU A 101 -9.024 -9.403 -1.834 1.00 2.30 H new ATOM 0 HD13 LEU A 101 -9.584 -9.986 -3.420 1.00 2.30 H new ATOM 0 HD21 LEU A 101 -10.983 -12.555 -2.268 1.00 23.31 H new ATOM 0 HD22 LEU A 101 -9.937 -12.619 -3.706 1.00 23.31 H new ATOM 0 HD23 LEU A 101 -9.581 -13.651 -2.301 1.00 23.31 H new ATOM 1611 N PRO A 102 -5.167 -13.591 -4.018 1.00 73.52 N ATOM 1612 CA PRO A 102 -3.836 -13.479 -4.671 1.00 14.45 C ATOM 1613 C PRO A 102 -3.293 -12.037 -4.652 1.00 62.10 C ATOM 1614 O PRO A 102 -3.921 -11.125 -5.209 1.00 73.13 O ATOM 1615 CB PRO A 102 -4.117 -13.957 -6.117 1.00 4.44 C ATOM 1616 CG PRO A 102 -5.231 -14.946 -5.961 1.00 34.44 C ATOM 1617 CD PRO A 102 -6.105 -14.401 -4.850 1.00 72.21 C ATOM 0 HA PRO A 102 -3.070 -14.063 -4.161 1.00 14.45 H new ATOM 0 HB2 PRO A 102 -4.407 -13.128 -6.762 1.00 4.44 H new ATOM 0 HB3 PRO A 102 -3.235 -14.416 -6.564 1.00 4.44 H new ATOM 0 HG2 PRO A 102 -5.795 -15.051 -6.888 1.00 34.44 H new ATOM 0 HG3 PRO A 102 -4.846 -15.934 -5.708 1.00 34.44 H new ATOM 0 HD2 PRO A 102 -6.918 -13.791 -5.244 1.00 72.21 H new ATOM 0 HD3 PRO A 102 -6.561 -15.204 -4.271 1.00 72.21 H new ATOM 1625 N LEU A 103 -2.153 -11.851 -3.964 1.00 14.12 N ATOM 1626 CA LEU A 103 -1.495 -10.545 -3.817 1.00 13.53 C ATOM 1627 C LEU A 103 -1.097 -10.011 -5.199 1.00 31.24 C ATOM 1628 O LEU A 103 -1.319 -8.840 -5.511 1.00 41.35 O ATOM 1629 CB LEU A 103 -0.262 -10.681 -2.860 1.00 74.44 C ATOM 1630 CG LEU A 103 0.318 -9.362 -2.224 1.00 62.41 C ATOM 1631 CD1 LEU A 103 1.122 -8.519 -3.224 1.00 42.11 C ATOM 1632 CD2 LEU A 103 -0.788 -8.506 -1.581 1.00 51.30 C ATOM 0 H LEU A 103 -1.661 -12.609 -3.492 1.00 14.12 H new ATOM 0 HA LEU A 103 -2.181 -9.826 -3.370 1.00 13.53 H new ATOM 0 HB2 LEU A 103 -0.540 -11.351 -2.047 1.00 74.44 H new ATOM 0 HB3 LEU A 103 0.541 -11.168 -3.414 1.00 74.44 H new ATOM 0 HG LEU A 103 1.006 -9.689 -1.445 1.00 62.41 H new ATOM 0 HD11 LEU A 103 1.496 -7.624 -2.727 1.00 42.11 H new ATOM 0 HD12 LEU A 103 1.962 -9.103 -3.599 1.00 42.11 H new ATOM 0 HD13 LEU A 103 0.480 -8.231 -4.056 1.00 42.11 H new ATOM 0 HD21 LEU A 103 -0.348 -7.605 -1.153 1.00 51.30 H new ATOM 0 HD22 LEU A 103 -1.520 -8.228 -2.339 1.00 51.30 H new ATOM 0 HD23 LEU A 103 -1.280 -9.078 -0.794 1.00 51.30 H new ATOM 1644 N VAL A 104 -0.538 -10.904 -6.018 1.00 43.44 N ATOM 1645 CA VAL A 104 -0.035 -10.593 -7.359 1.00 4.15 C ATOM 1646 C VAL A 104 -0.661 -11.591 -8.340 1.00 4.20 C ATOM 1647 O VAL A 104 -0.367 -12.792 -8.279 1.00 73.42 O ATOM 1648 CB VAL A 104 1.542 -10.691 -7.418 1.00 2.15 C ATOM 1649 CG1 VAL A 104 2.095 -10.370 -8.826 1.00 22.30 C ATOM 1650 CG2 VAL A 104 2.198 -9.779 -6.365 1.00 25.25 C ATOM 0 H VAL A 104 -0.420 -11.884 -5.763 1.00 43.44 H new ATOM 0 HA VAL A 104 -0.307 -9.571 -7.622 1.00 4.15 H new ATOM 0 HB VAL A 104 1.799 -11.726 -7.191 1.00 2.15 H new ATOM 0 HG11 VAL A 104 3.182 -10.450 -8.817 1.00 22.30 H new ATOM 0 HG12 VAL A 104 1.685 -11.076 -9.548 1.00 22.30 H new ATOM 0 HG13 VAL A 104 1.808 -9.357 -9.107 1.00 22.30 H new ATOM 0 HG21 VAL A 104 3.282 -9.869 -6.431 1.00 25.25 H new ATOM 0 HG22 VAL A 104 1.908 -8.744 -6.548 1.00 25.25 H new ATOM 0 HG23 VAL A 104 1.869 -10.077 -5.370 1.00 25.25 H new ATOM 1660 N THR A 105 -1.574 -11.106 -9.187 1.00 52.50 N ATOM 1661 CA THR A 105 -2.177 -11.902 -10.266 1.00 32.42 C ATOM 1662 C THR A 105 -1.382 -11.680 -11.569 1.00 22.22 C ATOM 1663 O THR A 105 -0.994 -12.631 -12.258 1.00 40.21 O ATOM 1664 CB THR A 105 -3.670 -11.501 -10.470 1.00 31.00 C ATOM 1665 OG1 THR A 105 -3.751 -10.087 -10.666 1.00 54.31 O ATOM 1666 CG2 THR A 105 -4.562 -11.890 -9.278 1.00 62.01 C ATOM 0 H THR A 105 -1.918 -10.147 -9.145 1.00 52.50 H new ATOM 0 HA THR A 105 -2.141 -12.957 -9.995 1.00 32.42 H new ATOM 0 HB THR A 105 -4.034 -12.044 -11.342 1.00 31.00 H new ATOM 0 HG1 THR A 105 -4.687 -9.828 -10.796 1.00 54.31 H new ATOM 0 HG21 THR A 105 -5.589 -11.586 -9.478 1.00 62.01 H new ATOM 0 HG22 THR A 105 -4.525 -12.970 -9.133 1.00 62.01 H new ATOM 0 HG23 THR A 105 -4.204 -11.391 -8.378 1.00 62.01 H new ATOM 1674 N GLU A 106 -1.145 -10.399 -11.878 1.00 4.52 N ATOM 1675 CA GLU A 106 -0.345 -9.951 -13.032 1.00 11.25 C ATOM 1676 C GLU A 106 0.949 -9.297 -12.511 1.00 13.31 C ATOM 1677 O GLU A 106 0.991 -8.854 -11.359 1.00 33.10 O ATOM 1678 CB GLU A 106 -1.164 -8.928 -13.875 1.00 73.32 C ATOM 1679 CG GLU A 106 -2.482 -9.467 -14.462 1.00 61.21 C ATOM 1680 CD GLU A 106 -2.281 -10.656 -15.422 1.00 25.32 C ATOM 1681 OE1 GLU A 106 -1.595 -10.487 -16.458 1.00 5.51 O ATOM 1682 OE2 GLU A 106 -2.799 -11.762 -15.150 1.00 51.45 O ATOM 0 H GLU A 106 -1.511 -9.626 -11.322 1.00 4.52 H new ATOM 0 HA GLU A 106 -0.095 -10.801 -13.667 1.00 11.25 H new ATOM 0 HB2 GLU A 106 -1.390 -8.064 -13.249 1.00 73.32 H new ATOM 0 HB3 GLU A 106 -0.538 -8.573 -14.694 1.00 73.32 H new ATOM 0 HG2 GLU A 106 -3.136 -9.774 -13.646 1.00 61.21 H new ATOM 0 HG3 GLU A 106 -2.991 -8.663 -14.993 1.00 61.21 H new ATOM 1689 N GLU A 107 1.992 -9.218 -13.358 1.00 41.04 N ATOM 1690 CA GLU A 107 3.275 -8.586 -12.993 1.00 74.34 C ATOM 1691 C GLU A 107 3.951 -7.977 -14.258 1.00 50.23 C ATOM 1692 O GLU A 107 3.400 -6.991 -14.788 1.00 44.33 O ATOM 1693 CB GLU A 107 4.179 -9.613 -12.227 1.00 60.02 C ATOM 1694 CG GLU A 107 4.325 -10.992 -12.909 1.00 24.41 C ATOM 1695 CD GLU A 107 5.356 -11.898 -12.229 1.00 71.35 C ATOM 1696 OE1 GLU A 107 4.992 -12.647 -11.293 1.00 62.21 O ATOM 1697 OE2 GLU A 107 6.545 -11.859 -12.630 1.00 23.50 O ATOM 1698 OXT GLU A 107 5.010 -8.463 -14.734 1.00 38.37 O ATOM 0 H GLU A 107 1.971 -9.588 -14.308 1.00 41.04 H new ATOM 0 HA GLU A 107 3.106 -7.755 -12.308 1.00 74.34 H new ATOM 0 HB2 GLU A 107 5.171 -9.179 -12.103 1.00 60.02 H new ATOM 0 HB3 GLU A 107 3.769 -9.760 -11.228 1.00 60.02 H new ATOM 0 HG2 GLU A 107 3.357 -11.493 -12.911 1.00 24.41 H new ATOM 0 HG3 GLU A 107 4.611 -10.846 -13.951 1.00 24.41 H new TER 1705 GLU A 107