USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 794 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 161:sc= -0.194 (180deg=-0.839) USER MOD Single : A 1 MET N :NH3+ 135:sc= 0.0542 (180deg=-0.012) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.122 X(o=-0.12,f=-0.52) USER MOD Single : A 5 HIS : no HD1:sc= 0.45 K(o=0.45,f=-2!) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.0413 K(o=-0.041,f=-2) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot -75:sc= 0.00644 USER MOD Single : A 10 HIS : no HE2:sc= -0.936 K(o=-0.94,f=-4.2!) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -2! C(o=-2!,f=-11!) USER MOD Single : A 36 HIS : no HE2:sc= -3.62! C(o=-3.6!,f=-10!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0.0662 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.419 K(o=-0.42,f=-1.1) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -170:sc= -0.0595 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN :FLIP amide:sc= -0.0324 F(o=-0.57,f=-0.032) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.292 F(o=-1.2,f=-0.29) USER MOD Single : A 76 TYR OH : rot 110:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0307) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0.0596 X(o=0.06,f=-0.3) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.449 19.951 -2.814 1.00 22.54 N ATOM 2 CA MET A 1 9.981 21.334 -2.990 1.00 50.34 C ATOM 3 C MET A 1 11.464 21.319 -3.391 1.00 71.34 C ATOM 4 O MET A 1 12.067 20.254 -3.526 1.00 35.53 O ATOM 5 CB MET A 1 9.793 22.153 -1.704 1.00 64.51 C ATOM 6 CG MET A 1 10.461 21.555 -0.474 1.00 73.45 C ATOM 7 SD MET A 1 10.327 22.627 0.974 1.00 31.24 S ATOM 8 CE MET A 1 8.550 22.865 1.070 1.00 74.25 C ATOM 0 H1 MET A 1 8.884 19.905 -1.942 1.00 22.54 H new ATOM 0 H2 MET A 1 8.850 19.703 -3.628 1.00 22.54 H new ATOM 0 H3 MET A 1 10.241 19.280 -2.750 1.00 22.54 H new ATOM 0 HA MET A 1 9.416 21.802 -3.796 1.00 50.34 H new ATOM 0 HB2 MET A 1 10.188 23.156 -1.866 1.00 64.51 H new ATOM 0 HB3 MET A 1 8.726 22.259 -1.508 1.00 64.51 H new ATOM 0 HG2 MET A 1 10.007 20.590 -0.251 1.00 73.45 H new ATOM 0 HG3 MET A 1 11.513 21.370 -0.689 1.00 73.45 H new ATOM 0 HE1 MET A 1 8.282 23.206 2.070 1.00 74.25 H new ATOM 0 HE2 MET A 1 8.243 23.611 0.337 1.00 74.25 H new ATOM 0 HE3 MET A 1 8.045 21.922 0.861 1.00 74.25 H new ATOM 20 N GLY A 2 12.049 22.506 -3.569 1.00 13.21 N ATOM 21 CA GLY A 2 13.427 22.609 -4.035 1.00 53.41 C ATOM 22 C GLY A 2 13.521 22.539 -5.552 1.00 64.45 C ATOM 23 O GLY A 2 13.455 21.449 -6.129 1.00 50.24 O ATOM 0 H GLY A 2 11.591 23.401 -3.398 1.00 13.21 H new ATOM 0 HA2 GLY A 2 13.858 23.548 -3.688 1.00 53.41 H new ATOM 0 HA3 GLY A 2 14.019 21.805 -3.597 1.00 53.41 H new ATOM 27 N HIS A 3 13.692 23.695 -6.198 1.00 71.23 N ATOM 28 CA HIS A 3 13.645 23.792 -7.665 1.00 52.52 C ATOM 29 C HIS A 3 14.801 23.028 -8.345 1.00 64.24 C ATOM 30 O HIS A 3 15.775 23.624 -8.803 1.00 55.34 O ATOM 31 CB HIS A 3 13.650 25.264 -8.098 1.00 74.32 C ATOM 32 CG HIS A 3 12.527 26.070 -7.506 1.00 30.12 C ATOM 33 ND1 HIS A 3 12.717 27.049 -6.556 1.00 72.23 N ATOM 34 CD2 HIS A 3 11.192 26.037 -7.739 1.00 52.44 C ATOM 35 CE1 HIS A 3 11.555 27.579 -6.229 1.00 14.20 C ATOM 36 NE2 HIS A 3 10.613 26.985 -6.931 1.00 34.34 N ATOM 0 H HIS A 3 13.865 24.583 -5.728 1.00 71.23 H new ATOM 0 HA HIS A 3 12.717 23.321 -7.990 1.00 52.52 H new ATOM 0 HB2 HIS A 3 14.600 25.715 -7.811 1.00 74.32 H new ATOM 0 HB3 HIS A 3 13.588 25.314 -9.185 1.00 74.32 H new ATOM 0 HD2 HIS A 3 10.679 25.386 -8.431 1.00 52.44 H new ATOM 0 HE1 HIS A 3 11.402 28.367 -5.507 1.00 14.20 H new ATOM 0 HE2 HIS A 3 9.616 27.195 -6.883 1.00 34.34 H new ATOM 45 N HIS A 4 14.672 21.702 -8.381 1.00 3.35 N ATOM 46 CA HIS A 4 15.633 20.805 -9.038 1.00 65.13 C ATOM 47 C HIS A 4 15.196 19.342 -8.846 1.00 30.13 C ATOM 48 O HIS A 4 14.505 19.020 -7.881 1.00 30.03 O ATOM 49 CB HIS A 4 17.065 21.017 -8.508 1.00 12.05 C ATOM 50 CG HIS A 4 17.233 20.802 -7.030 1.00 42.31 C ATOM 51 ND1 HIS A 4 17.934 19.743 -6.500 1.00 42.52 N ATOM 52 CD2 HIS A 4 16.821 21.537 -5.969 1.00 35.43 C ATOM 53 CE1 HIS A 4 17.948 19.834 -5.188 1.00 31.15 C ATOM 54 NE2 HIS A 4 17.281 20.912 -4.838 1.00 53.44 N ATOM 0 H HIS A 4 13.889 21.211 -7.950 1.00 3.35 H new ATOM 0 HA HIS A 4 15.643 21.041 -10.102 1.00 65.13 H new ATOM 0 HB2 HIS A 4 17.736 20.340 -9.037 1.00 12.05 H new ATOM 0 HB3 HIS A 4 17.380 22.032 -8.750 1.00 12.05 H new ATOM 0 HD2 HIS A 4 16.239 22.446 -6.007 1.00 35.43 H new ATOM 0 HE1 HIS A 4 18.426 19.141 -4.512 1.00 31.15 H new ATOM 0 HE2 HIS A 4 17.130 21.231 -3.881 1.00 53.44 H new ATOM 63 N HIS A 5 15.601 18.461 -9.755 1.00 24.43 N ATOM 64 CA HIS A 5 15.125 17.068 -9.747 1.00 63.51 C ATOM 65 C HIS A 5 15.938 16.171 -8.799 1.00 22.23 C ATOM 66 O HIS A 5 15.391 15.252 -8.185 1.00 43.14 O ATOM 67 CB HIS A 5 15.154 16.496 -11.166 1.00 35.24 C ATOM 68 CG HIS A 5 14.211 17.191 -12.104 1.00 13.25 C ATOM 69 ND1 HIS A 5 14.608 18.175 -12.989 1.00 42.00 N ATOM 70 CD2 HIS A 5 12.877 17.042 -12.292 1.00 41.44 C ATOM 71 CE1 HIS A 5 13.563 18.598 -13.673 1.00 72.14 C ATOM 72 NE2 HIS A 5 12.505 17.929 -13.270 1.00 61.24 N ATOM 0 H HIS A 5 16.255 18.678 -10.507 1.00 24.43 H new ATOM 0 HA HIS A 5 14.100 17.081 -9.375 1.00 63.51 H new ATOM 0 HB2 HIS A 5 16.168 16.570 -11.560 1.00 35.24 H new ATOM 0 HB3 HIS A 5 14.903 15.436 -11.128 1.00 35.24 H new ATOM 0 HD2 HIS A 5 12.229 16.354 -11.770 1.00 41.44 H new ATOM 0 HE1 HIS A 5 13.574 19.364 -14.435 1.00 72.14 H new ATOM 0 HE2 HIS A 5 11.558 18.050 -13.628 1.00 61.24 H new ATOM 81 N HIS A 6 17.235 16.430 -8.677 1.00 74.43 N ATOM 82 CA HIS A 6 18.097 15.617 -7.811 1.00 5.31 C ATOM 83 C HIS A 6 17.776 15.836 -6.322 1.00 1.31 C ATOM 84 O HIS A 6 18.051 16.895 -5.766 1.00 62.43 O ATOM 85 CB HIS A 6 19.573 15.928 -8.083 1.00 24.35 C ATOM 86 CG HIS A 6 20.529 15.065 -7.314 1.00 23.00 C ATOM 87 ND1 HIS A 6 20.826 13.771 -7.678 1.00 32.31 N ATOM 88 CD2 HIS A 6 21.258 15.312 -6.198 1.00 2.15 C ATOM 89 CE1 HIS A 6 21.690 13.261 -6.826 1.00 62.01 C ATOM 90 NE2 HIS A 6 21.970 14.172 -5.919 1.00 3.41 N ATOM 0 H HIS A 6 17.715 17.189 -9.160 1.00 74.43 H new ATOM 0 HA HIS A 6 17.903 14.570 -8.044 1.00 5.31 H new ATOM 0 HB2 HIS A 6 19.769 15.809 -9.149 1.00 24.35 H new ATOM 0 HB3 HIS A 6 19.765 16.973 -7.838 1.00 24.35 H new ATOM 0 HD2 HIS A 6 21.275 16.233 -5.634 1.00 2.15 H new ATOM 0 HE1 HIS A 6 22.100 12.263 -6.865 1.00 62.01 H new ATOM 0 HE2 HIS A 6 22.612 14.051 -5.136 1.00 3.41 H new ATOM 99 N HIS A 7 17.168 14.830 -5.696 1.00 4.33 N ATOM 100 CA HIS A 7 16.891 14.844 -4.250 1.00 21.12 C ATOM 101 C HIS A 7 17.096 13.443 -3.644 1.00 33.04 C ATOM 102 O HIS A 7 17.537 12.518 -4.325 1.00 12.03 O ATOM 103 CB HIS A 7 15.451 15.307 -3.958 1.00 60.54 C ATOM 104 CG HIS A 7 15.165 16.746 -4.277 1.00 1.43 C ATOM 105 ND1 HIS A 7 15.255 17.758 -3.344 1.00 33.11 N ATOM 106 CD2 HIS A 7 14.739 17.336 -5.419 1.00 14.33 C ATOM 107 CE1 HIS A 7 14.895 18.898 -3.894 1.00 3.43 C ATOM 108 NE2 HIS A 7 14.578 18.673 -5.153 1.00 31.31 N ATOM 0 H HIS A 7 16.852 13.983 -6.169 1.00 4.33 H new ATOM 0 HA HIS A 7 17.589 15.548 -3.796 1.00 21.12 H new ATOM 0 HB2 HIS A 7 14.763 14.682 -4.527 1.00 60.54 H new ATOM 0 HB3 HIS A 7 15.238 15.136 -2.903 1.00 60.54 H new ATOM 0 HD2 HIS A 7 14.559 16.845 -6.364 1.00 14.33 H new ATOM 0 HE1 HIS A 7 14.865 19.856 -3.397 1.00 3.43 H new ATOM 0 HE2 HIS A 7 14.264 19.377 -5.821 1.00 31.31 H new ATOM 117 N HIS A 8 16.788 13.305 -2.357 1.00 3.34 N ATOM 118 CA HIS A 8 16.786 12.000 -1.680 1.00 10.54 C ATOM 119 C HIS A 8 15.445 11.763 -0.957 1.00 12.23 C ATOM 120 O HIS A 8 14.528 12.575 -1.074 1.00 1.54 O ATOM 121 CB HIS A 8 17.957 11.910 -0.690 1.00 31.15 C ATOM 122 CG HIS A 8 19.294 11.746 -1.349 1.00 3.43 C ATOM 123 ND1 HIS A 8 19.978 10.550 -1.371 1.00 2.31 N ATOM 124 CD2 HIS A 8 20.072 12.629 -2.021 1.00 34.03 C ATOM 125 CE1 HIS A 8 21.109 10.700 -2.027 1.00 2.21 C ATOM 126 NE2 HIS A 8 21.191 11.950 -2.431 1.00 54.23 N ATOM 0 H HIS A 8 16.533 14.086 -1.752 1.00 3.34 H new ATOM 0 HA HIS A 8 16.908 11.221 -2.433 1.00 10.54 H new ATOM 0 HB2 HIS A 8 17.972 12.811 -0.077 1.00 31.15 H new ATOM 0 HB3 HIS A 8 17.788 11.069 -0.017 1.00 31.15 H new ATOM 0 HD2 HIS A 8 19.852 13.671 -2.200 1.00 34.03 H new ATOM 0 HE1 HIS A 8 21.844 9.929 -2.204 1.00 2.21 H new ATOM 0 HE2 HIS A 8 21.963 12.350 -2.964 1.00 54.23 H new ATOM 135 N SER A 9 15.335 10.646 -0.224 1.00 62.33 N ATOM 136 CA SER A 9 14.087 10.282 0.485 1.00 72.35 C ATOM 137 C SER A 9 12.930 10.052 -0.499 1.00 61.20 C ATOM 138 O SER A 9 11.765 10.298 -0.176 1.00 33.43 O ATOM 139 CB SER A 9 13.692 11.371 1.500 1.00 10.02 C ATOM 140 OG SER A 9 14.721 11.599 2.457 1.00 4.44 O ATOM 0 H SER A 9 16.093 9.974 -0.103 1.00 62.33 H new ATOM 0 HA SER A 9 14.280 9.351 1.018 1.00 72.35 H new ATOM 0 HB2 SER A 9 13.475 12.299 0.971 1.00 10.02 H new ATOM 0 HB3 SER A 9 12.777 11.075 2.013 1.00 10.02 H new ATOM 0 HG SER A 9 14.734 10.864 3.105 1.00 4.44 H new ATOM 146 N HIS A 10 13.261 9.571 -1.697 1.00 70.03 N ATOM 147 CA HIS A 10 12.263 9.329 -2.749 1.00 71.21 C ATOM 148 C HIS A 10 11.251 8.235 -2.348 1.00 14.00 C ATOM 149 O HIS A 10 11.630 7.151 -1.897 1.00 64.20 O ATOM 150 CB HIS A 10 12.961 8.947 -4.065 1.00 42.32 C ATOM 151 CG HIS A 10 13.896 7.775 -3.950 1.00 45.30 C ATOM 152 ND1 HIS A 10 13.474 6.501 -3.635 1.00 70.41 N ATOM 153 CD2 HIS A 10 15.240 7.687 -4.114 1.00 55.21 C ATOM 154 CE1 HIS A 10 14.510 5.687 -3.612 1.00 42.35 C ATOM 155 NE2 HIS A 10 15.590 6.378 -3.901 1.00 43.23 N ATOM 0 H HIS A 10 14.217 9.339 -1.968 1.00 70.03 H new ATOM 0 HA HIS A 10 11.706 10.255 -2.889 1.00 71.21 H new ATOM 0 HB2 HIS A 10 12.202 8.719 -4.813 1.00 42.32 H new ATOM 0 HB3 HIS A 10 13.520 9.809 -4.430 1.00 42.32 H new ATOM 0 HD1 HIS A 10 12.508 6.230 -3.448 1.00 70.41 H new ATOM 0 HD2 HIS A 10 15.909 8.497 -4.365 1.00 55.21 H new ATOM 0 HE1 HIS A 10 14.477 4.630 -3.393 1.00 42.35 H new ATOM 164 N MET A 11 9.966 8.521 -2.538 1.00 53.51 N ATOM 165 CA MET A 11 8.901 7.570 -2.207 1.00 40.10 C ATOM 166 C MET A 11 8.901 6.358 -3.153 1.00 54.33 C ATOM 167 O MET A 11 9.436 6.418 -4.265 1.00 41.42 O ATOM 168 CB MET A 11 7.534 8.264 -2.258 1.00 72.34 C ATOM 169 CG MET A 11 7.147 8.779 -3.641 1.00 1.13 C ATOM 170 SD MET A 11 5.527 9.570 -3.652 1.00 51.14 S ATOM 171 CE MET A 11 5.376 10.004 -5.384 1.00 52.12 C ATOM 0 H MET A 11 9.633 9.406 -2.921 1.00 53.51 H new ATOM 0 HA MET A 11 9.091 7.208 -1.197 1.00 40.10 H new ATOM 0 HB2 MET A 11 6.771 7.565 -1.916 1.00 72.34 H new ATOM 0 HB3 MET A 11 7.537 9.100 -1.559 1.00 72.34 H new ATOM 0 HG2 MET A 11 7.898 9.491 -3.984 1.00 1.13 H new ATOM 0 HG3 MET A 11 7.148 7.949 -4.348 1.00 1.13 H new ATOM 0 HE1 MET A 11 4.422 10.504 -5.552 1.00 52.12 H new ATOM 0 HE2 MET A 11 6.190 10.673 -5.664 1.00 52.12 H new ATOM 0 HE3 MET A 11 5.424 9.100 -5.991 1.00 52.12 H new ATOM 181 N VAL A 12 8.298 5.261 -2.700 1.00 41.00 N ATOM 182 CA VAL A 12 8.178 4.035 -3.501 1.00 11.34 C ATOM 183 C VAL A 12 6.738 3.499 -3.430 1.00 74.11 C ATOM 184 O VAL A 12 6.159 3.405 -2.349 1.00 24.24 O ATOM 185 CB VAL A 12 9.171 2.944 -3.016 1.00 50.13 C ATOM 186 CG1 VAL A 12 9.022 1.661 -3.831 1.00 33.45 C ATOM 187 CG2 VAL A 12 10.610 3.459 -3.079 1.00 31.21 C ATOM 0 H VAL A 12 7.879 5.192 -1.773 1.00 41.00 H new ATOM 0 HA VAL A 12 8.424 4.283 -4.534 1.00 11.34 H new ATOM 0 HB VAL A 12 8.933 2.711 -1.978 1.00 50.13 H new ATOM 0 HG11 VAL A 12 9.730 0.916 -3.469 1.00 33.45 H new ATOM 0 HG12 VAL A 12 8.007 1.279 -3.725 1.00 33.45 H new ATOM 0 HG13 VAL A 12 9.223 1.872 -4.881 1.00 33.45 H new ATOM 0 HG21 VAL A 12 11.291 2.680 -2.735 1.00 31.21 H new ATOM 0 HG22 VAL A 12 10.856 3.728 -4.106 1.00 31.21 H new ATOM 0 HG23 VAL A 12 10.711 4.337 -2.440 1.00 31.21 H new ATOM 197 N VAL A 13 6.166 3.143 -4.580 1.00 54.32 N ATOM 198 CA VAL A 13 4.739 2.789 -4.656 1.00 65.31 C ATOM 199 C VAL A 13 4.500 1.271 -4.697 1.00 14.31 C ATOM 200 O VAL A 13 5.404 0.483 -4.990 1.00 34.31 O ATOM 201 CB VAL A 13 4.067 3.440 -5.895 1.00 74.23 C ATOM 202 CG1 VAL A 13 4.130 4.964 -5.806 1.00 54.31 C ATOM 203 CG2 VAL A 13 4.710 2.940 -7.190 1.00 64.02 C ATOM 0 H VAL A 13 6.661 3.091 -5.470 1.00 54.32 H new ATOM 0 HA VAL A 13 4.289 3.176 -3.742 1.00 65.31 H new ATOM 0 HB VAL A 13 3.018 3.145 -5.906 1.00 74.23 H new ATOM 0 HG11 VAL A 13 3.654 5.400 -6.684 1.00 54.31 H new ATOM 0 HG12 VAL A 13 3.610 5.298 -4.908 1.00 54.31 H new ATOM 0 HG13 VAL A 13 5.171 5.283 -5.762 1.00 54.31 H new ATOM 0 HG21 VAL A 13 4.222 3.410 -8.044 1.00 64.02 H new ATOM 0 HG22 VAL A 13 5.770 3.195 -7.192 1.00 64.02 H new ATOM 0 HG23 VAL A 13 4.597 1.858 -7.258 1.00 64.02 H new ATOM 213 N ILE A 14 3.264 0.876 -4.397 1.00 2.41 N ATOM 214 CA ILE A 14 2.859 -0.531 -4.417 1.00 45.34 C ATOM 215 C ILE A 14 1.976 -0.819 -5.652 1.00 34.44 C ATOM 216 O ILE A 14 1.106 -0.024 -6.009 1.00 54.55 O ATOM 217 CB ILE A 14 2.101 -0.895 -3.109 1.00 12.21 C ATOM 218 CG1 ILE A 14 1.865 -2.413 -3.002 1.00 31.22 C ATOM 219 CG2 ILE A 14 0.782 -0.128 -3.006 1.00 71.24 C ATOM 220 CD1 ILE A 14 3.107 -3.203 -2.649 1.00 44.33 C ATOM 0 H ILE A 14 2.517 1.518 -4.134 1.00 2.41 H new ATOM 0 HA ILE A 14 3.754 -1.149 -4.481 1.00 45.34 H new ATOM 0 HB ILE A 14 2.730 -0.597 -2.270 1.00 12.21 H new ATOM 0 HG12 ILE A 14 1.101 -2.600 -2.248 1.00 31.22 H new ATOM 0 HG13 ILE A 14 1.472 -2.778 -3.951 1.00 31.22 H new ATOM 0 HG21 ILE A 14 0.273 -0.402 -2.082 1.00 71.24 H new ATOM 0 HG22 ILE A 14 0.983 0.943 -3.006 1.00 71.24 H new ATOM 0 HG23 ILE A 14 0.148 -0.378 -3.857 1.00 71.24 H new ATOM 0 HD11 ILE A 14 2.860 -4.263 -2.592 1.00 44.33 H new ATOM 0 HD12 ILE A 14 3.867 -3.048 -3.415 1.00 44.33 H new ATOM 0 HD13 ILE A 14 3.490 -2.868 -1.685 1.00 44.33 H new ATOM 232 N ARG A 15 2.212 -1.951 -6.310 1.00 43.12 N ATOM 233 CA ARG A 15 1.520 -2.285 -7.566 1.00 60.33 C ATOM 234 C ARG A 15 0.708 -3.589 -7.437 1.00 22.11 C ATOM 235 O ARG A 15 0.933 -4.376 -6.516 1.00 34.32 O ATOM 236 CB ARG A 15 2.555 -2.421 -8.699 1.00 50.50 C ATOM 237 CG ARG A 15 1.959 -2.453 -10.105 1.00 34.11 C ATOM 238 CD ARG A 15 1.407 -1.094 -10.517 1.00 34.11 C ATOM 239 NE ARG A 15 2.449 -0.071 -10.558 1.00 45.23 N ATOM 240 CZ ARG A 15 2.240 1.206 -10.378 1.00 42.31 C ATOM 241 NH1 ARG A 15 1.037 1.658 -10.193 1.00 25.11 N ATOM 242 NH2 ARG A 15 3.238 2.031 -10.403 1.00 50.12 N ATOM 0 H ARG A 15 2.878 -2.658 -5.999 1.00 43.12 H new ATOM 0 HA ARG A 15 0.821 -1.481 -7.795 1.00 60.33 H new ATOM 0 HB2 ARG A 15 3.256 -1.589 -8.635 1.00 50.50 H new ATOM 0 HB3 ARG A 15 3.129 -3.334 -8.541 1.00 50.50 H new ATOM 0 HG2 ARG A 15 2.723 -2.766 -10.817 1.00 34.11 H new ATOM 0 HG3 ARG A 15 1.163 -3.196 -10.145 1.00 34.11 H new ATOM 0 HD2 ARG A 15 0.939 -1.175 -11.498 1.00 34.11 H new ATOM 0 HD3 ARG A 15 0.629 -0.791 -9.817 1.00 34.11 H new ATOM 0 HE ARG A 15 3.406 -0.375 -10.740 1.00 45.23 H new ATOM 0 HH11 ARG A 15 0.246 1.014 -10.187 1.00 25.11 H new ATOM 0 HH12 ARG A 15 0.883 2.657 -10.053 1.00 25.11 H new ATOM 0 HH21 ARG A 15 4.183 1.683 -10.563 1.00 50.12 H new ATOM 0 HH22 ARG A 15 3.079 3.029 -10.263 1.00 50.12 H new ATOM 256 N ARG A 16 -0.235 -3.792 -8.372 1.00 1.43 N ATOM 257 CA ARG A 16 -1.060 -5.015 -8.449 1.00 41.43 C ATOM 258 C ARG A 16 -2.189 -5.043 -7.398 1.00 53.23 C ATOM 259 O ARG A 16 -2.653 -6.113 -7.007 1.00 62.41 O ATOM 260 CB ARG A 16 -0.187 -6.278 -8.327 1.00 20.44 C ATOM 261 CG ARG A 16 0.775 -6.491 -9.493 1.00 23.43 C ATOM 262 CD ARG A 16 0.034 -6.775 -10.796 1.00 42.34 C ATOM 263 NE ARG A 16 0.951 -7.040 -11.901 1.00 73.33 N ATOM 264 CZ ARG A 16 0.618 -6.986 -13.160 1.00 11.13 C ATOM 265 NH1 ARG A 16 -0.611 -6.769 -13.512 1.00 14.04 N ATOM 266 NH2 ARG A 16 1.510 -7.186 -14.071 1.00 31.54 N ATOM 0 H ARG A 16 -0.449 -3.111 -9.100 1.00 1.43 H new ATOM 0 HA ARG A 16 -1.535 -5.003 -9.430 1.00 41.43 H new ATOM 0 HB2 ARG A 16 0.388 -6.220 -7.403 1.00 20.44 H new ATOM 0 HB3 ARG A 16 -0.838 -7.149 -8.244 1.00 20.44 H new ATOM 0 HG2 ARG A 16 1.399 -5.606 -9.616 1.00 23.43 H new ATOM 0 HG3 ARG A 16 1.442 -7.322 -9.266 1.00 23.43 H new ATOM 0 HD2 ARG A 16 -0.625 -7.632 -10.659 1.00 42.34 H new ATOM 0 HD3 ARG A 16 -0.599 -5.923 -11.046 1.00 42.34 H new ATOM 0 HE ARG A 16 1.915 -7.283 -11.673 1.00 73.33 H new ATOM 0 HH11 ARG A 16 -1.330 -6.638 -12.800 1.00 14.04 H new ATOM 0 HH12 ARG A 16 -0.859 -6.729 -14.501 1.00 14.04 H new ATOM 0 HH21 ARG A 16 2.474 -7.386 -13.805 1.00 31.54 H new ATOM 0 HH22 ARG A 16 1.251 -7.144 -15.057 1.00 31.54 H new ATOM 280 N LEU A 17 -2.656 -3.866 -6.979 1.00 24.45 N ATOM 281 CA LEU A 17 -3.770 -3.762 -6.018 1.00 72.22 C ATOM 282 C LEU A 17 -5.135 -3.732 -6.731 1.00 63.21 C ATOM 283 O LEU A 17 -5.483 -2.741 -7.378 1.00 2.51 O ATOM 284 CB LEU A 17 -3.621 -2.505 -5.141 1.00 72.11 C ATOM 285 CG LEU A 17 -2.542 -2.571 -4.046 1.00 14.32 C ATOM 286 CD1 LEU A 17 -2.816 -3.718 -3.075 1.00 22.44 C ATOM 287 CD2 LEU A 17 -1.154 -2.701 -4.655 1.00 63.24 C ATOM 0 H LEU A 17 -2.284 -2.967 -7.287 1.00 24.45 H new ATOM 0 HA LEU A 17 -3.730 -4.649 -5.386 1.00 72.22 H new ATOM 0 HB2 LEU A 17 -3.401 -1.657 -5.790 1.00 72.11 H new ATOM 0 HB3 LEU A 17 -4.581 -2.302 -4.666 1.00 72.11 H new ATOM 0 HG LEU A 17 -2.579 -1.637 -3.485 1.00 14.32 H new ATOM 0 HD11 LEU A 17 -2.039 -3.742 -2.311 1.00 22.44 H new ATOM 0 HD12 LEU A 17 -3.786 -3.569 -2.601 1.00 22.44 H new ATOM 0 HD13 LEU A 17 -2.819 -4.662 -3.619 1.00 22.44 H new ATOM 0 HD21 LEU A 17 -0.410 -2.746 -3.859 1.00 63.24 H new ATOM 0 HD22 LEU A 17 -1.102 -3.612 -5.252 1.00 63.24 H new ATOM 0 HD23 LEU A 17 -0.954 -1.839 -5.291 1.00 63.24 H new ATOM 299 N PRO A 18 -5.922 -4.821 -6.629 1.00 14.15 N ATOM 300 CA PRO A 18 -7.271 -4.886 -7.191 1.00 34.54 C ATOM 301 C PRO A 18 -8.364 -4.496 -6.171 1.00 42.04 C ATOM 302 O PRO A 18 -8.190 -4.667 -4.962 1.00 1.11 O ATOM 303 CB PRO A 18 -7.374 -6.365 -7.567 1.00 43.13 C ATOM 304 CG PRO A 18 -6.580 -7.082 -6.514 1.00 12.30 C ATOM 305 CD PRO A 18 -5.559 -6.096 -5.978 1.00 12.14 C ATOM 0 HA PRO A 18 -7.424 -4.192 -8.018 1.00 34.54 H new ATOM 0 HB2 PRO A 18 -8.411 -6.700 -7.577 1.00 43.13 H new ATOM 0 HB3 PRO A 18 -6.970 -6.550 -8.562 1.00 43.13 H new ATOM 0 HG2 PRO A 18 -7.231 -7.435 -5.714 1.00 12.30 H new ATOM 0 HG3 PRO A 18 -6.086 -7.958 -6.934 1.00 12.30 H new ATOM 0 HD2 PRO A 18 -5.610 -6.019 -4.892 1.00 12.14 H new ATOM 0 HD3 PRO A 18 -4.542 -6.398 -6.229 1.00 12.14 H new ATOM 313 N PRO A 19 -9.508 -3.957 -6.644 1.00 64.44 N ATOM 314 CA PRO A 19 -10.641 -3.616 -5.764 1.00 21.03 C ATOM 315 C PRO A 19 -11.182 -4.834 -4.994 1.00 45.31 C ATOM 316 O PRO A 19 -11.625 -5.817 -5.599 1.00 61.13 O ATOM 317 CB PRO A 19 -11.706 -3.079 -6.737 1.00 61.32 C ATOM 318 CG PRO A 19 -10.942 -2.670 -7.951 1.00 24.14 C ATOM 319 CD PRO A 19 -9.780 -3.621 -8.052 1.00 5.41 C ATOM 0 HA PRO A 19 -10.350 -2.903 -4.993 1.00 21.03 H new ATOM 0 HB2 PRO A 19 -12.446 -3.843 -6.974 1.00 61.32 H new ATOM 0 HB3 PRO A 19 -12.246 -2.235 -6.306 1.00 61.32 H new ATOM 0 HG2 PRO A 19 -11.568 -2.723 -8.842 1.00 24.14 H new ATOM 0 HG3 PRO A 19 -10.596 -1.640 -7.865 1.00 24.14 H new ATOM 0 HD2 PRO A 19 -10.031 -4.505 -8.637 1.00 5.41 H new ATOM 0 HD3 PRO A 19 -8.918 -3.156 -8.531 1.00 5.41 H new ATOM 327 N GLY A 20 -11.138 -4.768 -3.662 1.00 34.00 N ATOM 328 CA GLY A 20 -11.606 -5.880 -2.841 1.00 53.20 C ATOM 329 C GLY A 20 -11.766 -5.525 -1.362 1.00 50.32 C ATOM 330 O GLY A 20 -12.730 -5.934 -0.720 1.00 31.00 O ATOM 0 H GLY A 20 -10.788 -3.967 -3.137 1.00 34.00 H new ATOM 0 HA2 GLY A 20 -12.564 -6.228 -3.228 1.00 53.20 H new ATOM 0 HA3 GLY A 20 -10.904 -6.709 -2.933 1.00 53.20 H new ATOM 334 N LEU A 21 -10.832 -4.756 -0.817 1.00 52.02 N ATOM 335 CA LEU A 21 -10.860 -4.417 0.613 1.00 31.02 C ATOM 336 C LEU A 21 -10.626 -2.919 0.860 1.00 2.11 C ATOM 337 O LEU A 21 -10.150 -2.191 -0.013 1.00 15.45 O ATOM 338 CB LEU A 21 -9.836 -5.266 1.400 1.00 42.00 C ATOM 339 CG LEU A 21 -8.339 -4.983 1.144 1.00 21.21 C ATOM 340 CD1 LEU A 21 -7.471 -5.877 2.028 1.00 74.40 C ATOM 341 CD2 LEU A 21 -7.961 -5.176 -0.325 1.00 35.12 C ATOM 0 H LEU A 21 -10.049 -4.355 -1.333 1.00 52.02 H new ATOM 0 HA LEU A 21 -11.861 -4.651 0.976 1.00 31.02 H new ATOM 0 HB2 LEU A 21 -10.029 -5.127 2.464 1.00 42.00 H new ATOM 0 HB3 LEU A 21 -10.024 -6.316 1.176 1.00 42.00 H new ATOM 0 HG LEU A 21 -8.160 -3.938 1.397 1.00 21.21 H new ATOM 0 HD11 LEU A 21 -6.419 -5.666 1.837 1.00 74.40 H new ATOM 0 HD12 LEU A 21 -7.696 -5.680 3.076 1.00 74.40 H new ATOM 0 HD13 LEU A 21 -7.678 -6.923 1.803 1.00 74.40 H new ATOM 0 HD21 LEU A 21 -6.900 -4.966 -0.458 1.00 35.12 H new ATOM 0 HD22 LEU A 21 -8.168 -6.204 -0.622 1.00 35.12 H new ATOM 0 HD23 LEU A 21 -8.546 -4.495 -0.944 1.00 35.12 H new ATOM 353 N THR A 22 -10.977 -2.471 2.061 1.00 11.04 N ATOM 354 CA THR A 22 -10.849 -1.063 2.447 1.00 1.45 C ATOM 355 C THR A 22 -9.505 -0.809 3.142 1.00 30.54 C ATOM 356 O THR A 22 -8.923 -1.723 3.730 1.00 11.13 O ATOM 357 CB THR A 22 -12.009 -0.640 3.391 1.00 71.14 C ATOM 358 OG1 THR A 22 -13.274 -0.879 2.752 1.00 64.21 O ATOM 359 CG2 THR A 22 -11.916 0.833 3.783 1.00 44.15 C ATOM 0 H THR A 22 -11.357 -3.069 2.795 1.00 11.04 H new ATOM 0 HA THR A 22 -10.897 -0.466 1.537 1.00 1.45 H new ATOM 0 HB THR A 22 -11.926 -1.240 4.297 1.00 71.14 H new ATOM 0 HG1 THR A 22 -14.000 -0.612 3.354 1.00 64.21 H new ATOM 0 HG21 THR A 22 -12.746 1.087 4.443 1.00 44.15 H new ATOM 0 HG22 THR A 22 -10.973 1.013 4.299 1.00 44.15 H new ATOM 0 HG23 THR A 22 -11.963 1.452 2.887 1.00 44.15 H new ATOM 367 N LYS A 23 -9.026 0.437 3.077 1.00 33.11 N ATOM 368 CA LYS A 23 -7.735 0.835 3.672 1.00 52.12 C ATOM 369 C LYS A 23 -7.492 0.236 5.072 1.00 12.24 C ATOM 370 O LYS A 23 -6.350 -0.001 5.448 1.00 24.44 O ATOM 371 CB LYS A 23 -7.644 2.363 3.738 1.00 42.24 C ATOM 372 CG LYS A 23 -8.773 3.025 4.523 1.00 23.13 C ATOM 373 CD LYS A 23 -8.652 4.547 4.512 1.00 72.51 C ATOM 374 CE LYS A 23 -8.644 5.105 3.093 1.00 1.33 C ATOM 375 NZ LYS A 23 -8.553 6.588 3.078 1.00 53.14 N ATOM 0 H LYS A 23 -9.517 1.201 2.613 1.00 33.11 H new ATOM 0 HA LYS A 23 -6.957 0.433 3.023 1.00 52.12 H new ATOM 0 HB2 LYS A 23 -6.692 2.640 4.190 1.00 42.24 H new ATOM 0 HB3 LYS A 23 -7.642 2.760 2.723 1.00 42.24 H new ATOM 0 HG2 LYS A 23 -9.733 2.733 4.096 1.00 23.13 H new ATOM 0 HG3 LYS A 23 -8.760 2.666 5.552 1.00 23.13 H new ATOM 0 HD2 LYS A 23 -9.482 4.982 5.069 1.00 72.51 H new ATOM 0 HD3 LYS A 23 -7.736 4.842 5.024 1.00 72.51 H new ATOM 0 HE2 LYS A 23 -7.802 4.685 2.543 1.00 1.33 H new ATOM 0 HE3 LYS A 23 -9.551 4.792 2.575 1.00 1.33 H new ATOM 0 HZ1 LYS A 23 -8.550 6.926 2.094 1.00 53.14 H new ATOM 0 HZ2 LYS A 23 -9.370 6.991 3.580 1.00 53.14 H new ATOM 0 HZ3 LYS A 23 -7.675 6.887 3.549 1.00 53.14 H new ATOM 389 N GLU A 24 -8.562 -0.015 5.825 1.00 61.23 N ATOM 390 CA GLU A 24 -8.461 -0.631 7.159 1.00 72.43 C ATOM 391 C GLU A 24 -7.602 -1.909 7.135 1.00 3.13 C ATOM 392 O GLU A 24 -6.533 -1.972 7.739 1.00 53.42 O ATOM 393 CB GLU A 24 -9.863 -0.977 7.679 1.00 62.42 C ATOM 394 CG GLU A 24 -10.842 0.192 7.674 1.00 22.31 C ATOM 395 CD GLU A 24 -12.223 -0.219 8.154 1.00 54.11 C ATOM 396 OE1 GLU A 24 -12.468 -0.181 9.376 1.00 74.43 O ATOM 397 OE2 GLU A 24 -13.062 -0.610 7.316 1.00 40.01 O ATOM 0 H GLU A 24 -9.517 0.198 5.537 1.00 61.23 H new ATOM 0 HA GLU A 24 -7.980 0.091 7.819 1.00 72.43 H new ATOM 0 HB2 GLU A 24 -10.274 -1.782 7.071 1.00 62.42 H new ATOM 0 HB3 GLU A 24 -9.776 -1.358 8.696 1.00 62.42 H new ATOM 0 HG2 GLU A 24 -10.459 0.988 8.312 1.00 22.31 H new ATOM 0 HG3 GLU A 24 -10.915 0.599 6.665 1.00 22.31 H new ATOM 404 N GLN A 25 -8.085 -2.917 6.413 1.00 44.21 N ATOM 405 CA GLN A 25 -7.402 -4.218 6.306 1.00 31.20 C ATOM 406 C GLN A 25 -6.416 -4.225 5.129 1.00 65.40 C ATOM 407 O GLN A 25 -5.857 -5.259 4.771 1.00 1.03 O ATOM 408 CB GLN A 25 -8.452 -5.316 6.094 1.00 40.33 C ATOM 409 CG GLN A 25 -9.628 -5.245 7.065 1.00 45.34 C ATOM 410 CD GLN A 25 -10.770 -6.158 6.658 1.00 31.24 C ATOM 411 OE1 GLN A 25 -10.839 -7.316 7.062 1.00 50.34 O ATOM 412 NE2 GLN A 25 -11.682 -5.648 5.852 1.00 63.10 N ATOM 0 H GLN A 25 -8.956 -2.863 5.885 1.00 44.21 H new ATOM 0 HA GLN A 25 -6.843 -4.398 7.225 1.00 31.20 H new ATOM 0 HB2 GLN A 25 -8.831 -5.250 5.074 1.00 40.33 H new ATOM 0 HB3 GLN A 25 -7.971 -6.289 6.193 1.00 40.33 H new ATOM 0 HG2 GLN A 25 -9.288 -5.517 8.064 1.00 45.34 H new ATOM 0 HG3 GLN A 25 -9.989 -4.218 7.120 1.00 45.34 H new ATOM 0 HE21 GLN A 25 -11.598 -4.683 5.533 1.00 63.10 H new ATOM 0 HE22 GLN A 25 -12.471 -6.219 5.548 1.00 63.10 H new ATOM 421 N LEU A 26 -6.235 -3.063 4.518 1.00 65.11 N ATOM 422 CA LEU A 26 -5.360 -2.912 3.353 1.00 55.11 C ATOM 423 C LEU A 26 -4.032 -2.227 3.731 1.00 44.04 C ATOM 424 O LEU A 26 -2.987 -2.504 3.144 1.00 12.41 O ATOM 425 CB LEU A 26 -6.105 -2.111 2.273 1.00 40.52 C ATOM 426 CG LEU A 26 -5.275 -1.682 1.054 1.00 64.34 C ATOM 427 CD1 LEU A 26 -4.868 -2.897 0.221 1.00 70.21 C ATOM 428 CD2 LEU A 26 -6.052 -0.673 0.208 1.00 34.13 C ATOM 0 H LEU A 26 -6.687 -2.197 4.811 1.00 65.11 H new ATOM 0 HA LEU A 26 -5.108 -3.899 2.966 1.00 55.11 H new ATOM 0 HB2 LEU A 26 -6.946 -2.709 1.922 1.00 40.52 H new ATOM 0 HB3 LEU A 26 -6.521 -1.216 2.736 1.00 40.52 H new ATOM 0 HG LEU A 26 -4.364 -1.200 1.409 1.00 64.34 H new ATOM 0 HD11 LEU A 26 -4.281 -2.570 -0.637 1.00 70.21 H new ATOM 0 HD12 LEU A 26 -4.271 -3.574 0.832 1.00 70.21 H new ATOM 0 HD13 LEU A 26 -5.761 -3.415 -0.127 1.00 70.21 H new ATOM 0 HD21 LEU A 26 -5.450 -0.379 -0.652 1.00 34.13 H new ATOM 0 HD22 LEU A 26 -6.981 -1.127 -0.137 1.00 34.13 H new ATOM 0 HD23 LEU A 26 -6.280 0.207 0.809 1.00 34.13 H new ATOM 440 N GLU A 27 -4.075 -1.346 4.726 1.00 63.22 N ATOM 441 CA GLU A 27 -2.878 -0.627 5.175 1.00 74.54 C ATOM 442 C GLU A 27 -1.928 -1.546 5.959 1.00 22.13 C ATOM 443 O GLU A 27 -0.707 -1.388 5.905 1.00 63.32 O ATOM 444 CB GLU A 27 -3.275 0.566 6.058 1.00 73.24 C ATOM 445 CG GLU A 27 -3.934 0.161 7.377 1.00 70.30 C ATOM 446 CD GLU A 27 -4.332 1.346 8.236 1.00 45.30 C ATOM 447 OE1 GLU A 27 -3.443 2.140 8.605 1.00 21.25 O ATOM 448 OE2 GLU A 27 -5.530 1.479 8.564 1.00 60.11 O ATOM 0 H GLU A 27 -4.924 -1.110 5.239 1.00 63.22 H new ATOM 0 HA GLU A 27 -2.357 -0.271 4.286 1.00 74.54 H new ATOM 0 HB2 GLU A 27 -2.386 1.159 6.273 1.00 73.24 H new ATOM 0 HB3 GLU A 27 -3.959 1.207 5.502 1.00 73.24 H new ATOM 0 HG2 GLU A 27 -4.819 -0.438 7.164 1.00 70.30 H new ATOM 0 HG3 GLU A 27 -3.248 -0.472 7.939 1.00 70.30 H new ATOM 455 N GLU A 28 -2.496 -2.519 6.669 1.00 51.41 N ATOM 456 CA GLU A 28 -1.725 -3.375 7.577 1.00 43.22 C ATOM 457 C GLU A 28 -0.671 -4.222 6.839 1.00 13.01 C ATOM 458 O GLU A 28 0.294 -4.687 7.446 1.00 32.44 O ATOM 459 CB GLU A 28 -2.666 -4.276 8.397 1.00 71.55 C ATOM 460 CG GLU A 28 -3.526 -5.222 7.567 1.00 71.54 C ATOM 461 CD GLU A 28 -4.332 -6.181 8.432 1.00 22.42 C ATOM 462 OE1 GLU A 28 -5.422 -5.793 8.904 1.00 33.12 O ATOM 463 OE2 GLU A 28 -3.863 -7.316 8.666 1.00 4.41 O ATOM 0 H GLU A 28 -3.492 -2.737 6.634 1.00 51.41 H new ATOM 0 HA GLU A 28 -1.183 -2.715 8.254 1.00 43.22 H new ATOM 0 HB2 GLU A 28 -2.068 -4.866 9.092 1.00 71.55 H new ATOM 0 HB3 GLU A 28 -3.321 -3.644 8.997 1.00 71.55 H new ATOM 0 HG2 GLU A 28 -4.205 -4.640 6.944 1.00 71.54 H new ATOM 0 HG3 GLU A 28 -2.887 -5.793 6.894 1.00 71.54 H new ATOM 470 N GLN A 29 -0.847 -4.420 5.532 1.00 65.34 N ATOM 471 CA GLN A 29 0.131 -5.166 4.729 1.00 61.50 C ATOM 472 C GLN A 29 0.853 -4.260 3.714 1.00 54.10 C ATOM 473 O GLN A 29 1.704 -4.724 2.959 1.00 3.32 O ATOM 474 CB GLN A 29 -0.525 -6.360 4.000 1.00 54.52 C ATOM 475 CG GLN A 29 -1.559 -5.995 2.926 1.00 64.10 C ATOM 476 CD GLN A 29 -2.937 -5.673 3.486 1.00 51.11 C ATOM 477 OE1 GLN A 29 -3.075 -5.163 4.585 1.00 4.11 O ATOM 478 NE2 GLN A 29 -3.975 -5.980 2.734 1.00 1.24 N ATOM 0 H GLN A 29 -1.652 -4.078 5.007 1.00 65.34 H new ATOM 0 HA GLN A 29 0.874 -5.552 5.427 1.00 61.50 H new ATOM 0 HB2 GLN A 29 0.261 -6.955 3.535 1.00 54.52 H new ATOM 0 HB3 GLN A 29 -1.008 -6.995 4.743 1.00 54.52 H new ATOM 0 HG2 GLN A 29 -1.196 -5.136 2.362 1.00 64.10 H new ATOM 0 HG3 GLN A 29 -1.647 -6.823 2.223 1.00 64.10 H new ATOM 0 HE21 GLN A 29 -3.833 -6.406 1.818 1.00 1.24 H new ATOM 0 HE22 GLN A 29 -4.920 -5.792 3.068 1.00 1.24 H new ATOM 487 N LEU A 30 0.513 -2.968 3.702 1.00 41.32 N ATOM 488 CA LEU A 30 1.164 -2.003 2.798 1.00 62.43 C ATOM 489 C LEU A 30 2.094 -1.035 3.550 1.00 11.33 C ATOM 490 O LEU A 30 3.077 -0.549 2.993 1.00 71.53 O ATOM 491 CB LEU A 30 0.117 -1.205 2.006 1.00 44.41 C ATOM 492 CG LEU A 30 -0.768 -2.035 1.059 1.00 72.45 C ATOM 493 CD1 LEU A 30 -1.670 -1.127 0.226 1.00 51.24 C ATOM 494 CD2 LEU A 30 0.081 -2.932 0.161 1.00 52.01 C ATOM 0 H LEU A 30 -0.205 -2.563 4.303 1.00 41.32 H new ATOM 0 HA LEU A 30 1.775 -2.584 2.107 1.00 62.43 H new ATOM 0 HB2 LEU A 30 -0.527 -0.682 2.713 1.00 44.41 H new ATOM 0 HB3 LEU A 30 0.632 -0.444 1.420 1.00 44.41 H new ATOM 0 HG LEU A 30 -1.403 -2.678 1.668 1.00 72.45 H new ATOM 0 HD11 LEU A 30 -2.287 -1.735 -0.436 1.00 51.24 H new ATOM 0 HD12 LEU A 30 -2.312 -0.546 0.888 1.00 51.24 H new ATOM 0 HD13 LEU A 30 -1.056 -0.451 -0.369 1.00 51.24 H new ATOM 0 HD21 LEU A 30 -0.569 -3.507 -0.498 1.00 52.01 H new ATOM 0 HD22 LEU A 30 0.752 -2.316 -0.438 1.00 52.01 H new ATOM 0 HD23 LEU A 30 0.667 -3.613 0.777 1.00 52.01 H new ATOM 506 N ARG A 31 1.793 -0.756 4.822 1.00 34.32 N ATOM 507 CA ARG A 31 2.628 0.156 5.621 1.00 2.31 C ATOM 508 C ARG A 31 3.054 -0.433 6.995 1.00 21.44 C ATOM 509 O ARG A 31 3.283 0.325 7.934 1.00 74.22 O ATOM 510 CB ARG A 31 1.885 1.506 5.800 1.00 20.21 C ATOM 511 CG ARG A 31 0.528 1.428 6.522 1.00 72.04 C ATOM 512 CD ARG A 31 0.667 1.502 8.043 1.00 35.12 C ATOM 513 NE ARG A 31 -0.609 1.371 8.742 1.00 72.53 N ATOM 514 CZ ARG A 31 -0.749 0.770 9.893 1.00 15.00 C ATOM 515 NH1 ARG A 31 0.275 0.237 10.490 1.00 32.45 N ATOM 516 NH2 ARG A 31 -1.914 0.722 10.453 1.00 23.04 N ATOM 0 H ARG A 31 0.989 -1.141 5.318 1.00 34.32 H new ATOM 0 HA ARG A 31 3.557 0.310 5.072 1.00 2.31 H new ATOM 0 HB2 ARG A 31 2.532 2.186 6.354 1.00 20.21 H new ATOM 0 HB3 ARG A 31 1.728 1.947 4.816 1.00 20.21 H new ATOM 0 HG2 ARG A 31 -0.109 2.243 6.179 1.00 72.04 H new ATOM 0 HG3 ARG A 31 0.029 0.497 6.251 1.00 72.04 H new ATOM 0 HD2 ARG A 31 1.341 0.714 8.379 1.00 35.12 H new ATOM 0 HD3 ARG A 31 1.127 2.452 8.314 1.00 35.12 H new ATOM 0 HE ARG A 31 -1.439 1.772 8.306 1.00 72.53 H new ATOM 0 HH11 ARG A 31 1.199 0.286 10.060 1.00 32.45 H new ATOM 0 HH12 ARG A 31 0.155 -0.230 11.389 1.00 32.45 H new ATOM 0 HH21 ARG A 31 -2.718 1.152 9.996 1.00 23.04 H new ATOM 0 HH22 ARG A 31 -2.029 0.254 11.352 1.00 23.04 H new ATOM 530 N PRO A 32 3.271 -1.770 7.133 1.00 71.11 N ATOM 531 CA PRO A 32 3.584 -2.386 8.445 1.00 73.13 C ATOM 532 C PRO A 32 5.029 -2.120 8.915 1.00 72.30 C ATOM 533 O PRO A 32 5.567 -2.843 9.756 1.00 71.44 O ATOM 534 CB PRO A 32 3.374 -3.876 8.177 1.00 33.14 C ATOM 535 CG PRO A 32 3.741 -4.041 6.741 1.00 24.52 C ATOM 536 CD PRO A 32 3.281 -2.782 6.050 1.00 63.41 C ATOM 0 HA PRO A 32 2.963 -1.978 9.242 1.00 73.13 H new ATOM 0 HB2 PRO A 32 4.002 -4.490 8.822 1.00 33.14 H new ATOM 0 HB3 PRO A 32 2.342 -4.173 8.362 1.00 33.14 H new ATOM 0 HG2 PRO A 32 4.816 -4.179 6.626 1.00 24.52 H new ATOM 0 HG3 PRO A 32 3.259 -4.920 6.313 1.00 24.52 H new ATOM 0 HD2 PRO A 32 3.957 -2.498 5.243 1.00 63.41 H new ATOM 0 HD3 PRO A 32 2.292 -2.906 5.609 1.00 63.41 H new ATOM 544 N LEU A 33 5.645 -1.073 8.374 1.00 11.03 N ATOM 545 CA LEU A 33 7.010 -0.691 8.738 1.00 61.02 C ATOM 546 C LEU A 33 7.021 -0.005 10.118 1.00 72.24 C ATOM 547 O LEU A 33 6.069 0.698 10.463 1.00 62.43 O ATOM 548 CB LEU A 33 7.603 0.253 7.677 1.00 10.40 C ATOM 549 CG LEU A 33 7.771 -0.328 6.254 1.00 4.42 C ATOM 550 CD1 LEU A 33 6.426 -0.617 5.591 1.00 5.00 C ATOM 551 CD2 LEU A 33 8.595 0.618 5.385 1.00 33.41 C ATOM 0 H LEU A 33 5.217 -0.467 7.674 1.00 11.03 H new ATOM 0 HA LEU A 33 7.621 -1.593 8.786 1.00 61.02 H new ATOM 0 HB2 LEU A 33 6.967 1.136 7.612 1.00 10.40 H new ATOM 0 HB3 LEU A 33 8.580 0.588 8.026 1.00 10.40 H new ATOM 0 HG LEU A 33 8.300 -1.276 6.352 1.00 4.42 H new ATOM 0 HD11 LEU A 33 6.592 -1.024 4.593 1.00 5.00 H new ATOM 0 HD12 LEU A 33 5.873 -1.340 6.190 1.00 5.00 H new ATOM 0 HD13 LEU A 33 5.852 0.306 5.515 1.00 5.00 H new ATOM 0 HD21 LEU A 33 8.704 0.194 4.387 1.00 33.41 H new ATOM 0 HD22 LEU A 33 8.090 1.582 5.317 1.00 33.41 H new ATOM 0 HD23 LEU A 33 9.581 0.755 5.830 1.00 33.41 H new ATOM 563 N PRO A 34 8.094 -0.202 10.922 1.00 71.21 N ATOM 564 CA PRO A 34 8.194 0.335 12.293 1.00 20.51 C ATOM 565 C PRO A 34 7.699 1.790 12.442 1.00 34.10 C ATOM 566 O PRO A 34 6.923 2.094 13.354 1.00 0.42 O ATOM 567 CB PRO A 34 9.700 0.231 12.625 1.00 2.30 C ATOM 568 CG PRO A 34 10.367 -0.332 11.403 1.00 65.41 C ATOM 569 CD PRO A 34 9.290 -0.979 10.576 1.00 2.23 C ATOM 0 HA PRO A 34 7.551 -0.226 12.971 1.00 20.51 H new ATOM 0 HB2 PRO A 34 10.111 1.209 12.875 1.00 2.30 H new ATOM 0 HB3 PRO A 34 9.863 -0.414 13.488 1.00 2.30 H new ATOM 0 HG2 PRO A 34 10.867 0.455 10.839 1.00 65.41 H new ATOM 0 HG3 PRO A 34 11.130 -1.059 11.680 1.00 65.41 H new ATOM 0 HD2 PRO A 34 9.512 -0.924 9.510 1.00 2.23 H new ATOM 0 HD3 PRO A 34 9.171 -2.034 10.823 1.00 2.23 H new ATOM 577 N ALA A 35 8.150 2.687 11.560 1.00 75.34 N ATOM 578 CA ALA A 35 7.734 4.099 11.623 1.00 2.24 C ATOM 579 C ALA A 35 8.092 4.883 10.349 1.00 14.11 C ATOM 580 O ALA A 35 9.259 4.978 9.971 1.00 73.34 O ATOM 581 CB ALA A 35 8.358 4.782 12.837 1.00 70.13 C ATOM 0 H ALA A 35 8.796 2.469 10.801 1.00 75.34 H new ATOM 0 HA ALA A 35 6.648 4.100 11.712 1.00 2.24 H new ATOM 0 HB1 ALA A 35 8.042 5.825 12.870 1.00 70.13 H new ATOM 0 HB2 ALA A 35 8.034 4.275 13.746 1.00 70.13 H new ATOM 0 HB3 ALA A 35 9.444 4.735 12.763 1.00 70.13 H new ATOM 587 N HIS A 36 7.071 5.457 9.710 1.00 24.22 N ATOM 588 CA HIS A 36 7.250 6.339 8.544 1.00 34.53 C ATOM 589 C HIS A 36 5.891 6.822 8.023 1.00 75.14 C ATOM 590 O HIS A 36 4.860 6.194 8.275 1.00 41.01 O ATOM 591 CB HIS A 36 8.011 5.643 7.401 1.00 44.44 C ATOM 592 CG HIS A 36 7.200 4.621 6.661 1.00 32.45 C ATOM 593 ND1 HIS A 36 6.694 4.831 5.395 1.00 24.41 N ATOM 594 CD2 HIS A 36 6.812 3.376 7.009 1.00 75.31 C ATOM 595 CE1 HIS A 36 6.036 3.764 5.001 1.00 41.01 C ATOM 596 NE2 HIS A 36 6.090 2.862 5.958 1.00 62.21 N ATOM 0 H HIS A 36 6.097 5.327 9.982 1.00 24.22 H new ATOM 0 HA HIS A 36 7.843 7.189 8.880 1.00 34.53 H new ATOM 0 HB2 HIS A 36 8.356 6.399 6.695 1.00 44.44 H new ATOM 0 HB3 HIS A 36 8.899 5.160 7.810 1.00 44.44 H new ATOM 0 HD1 HIS A 36 6.812 5.684 4.848 1.00 24.41 H new ATOM 0 HD2 HIS A 36 7.029 2.876 7.941 1.00 75.31 H new ATOM 0 HE1 HIS A 36 5.535 3.647 4.051 1.00 41.01 H new ATOM 605 N ASP A 37 5.897 7.930 7.290 1.00 20.22 N ATOM 606 CA ASP A 37 4.673 8.468 6.694 1.00 4.12 C ATOM 607 C ASP A 37 4.097 7.516 5.629 1.00 12.41 C ATOM 608 O ASP A 37 4.826 6.736 5.012 1.00 35.24 O ATOM 609 CB ASP A 37 4.959 9.844 6.082 1.00 34.20 C ATOM 610 CG ASP A 37 3.718 10.490 5.494 1.00 51.22 C ATOM 611 OD1 ASP A 37 2.667 10.488 6.169 1.00 72.35 O ATOM 612 OD2 ASP A 37 3.787 11.000 4.359 1.00 1.44 O ATOM 0 H ASP A 37 6.736 8.476 7.092 1.00 20.22 H new ATOM 0 HA ASP A 37 3.926 8.569 7.481 1.00 4.12 H new ATOM 0 HB2 ASP A 37 5.377 10.498 6.847 1.00 34.20 H new ATOM 0 HB3 ASP A 37 5.715 9.741 5.303 1.00 34.20 H new ATOM 617 N TYR A 38 2.788 7.593 5.419 1.00 33.15 N ATOM 618 CA TYR A 38 2.097 6.754 4.433 1.00 23.33 C ATOM 619 C TYR A 38 1.103 7.579 3.602 1.00 43.12 C ATOM 620 O TYR A 38 0.635 8.635 4.032 1.00 22.04 O ATOM 621 CB TYR A 38 1.400 5.563 5.121 1.00 23.45 C ATOM 622 CG TYR A 38 0.746 5.895 6.455 1.00 2.43 C ATOM 623 CD1 TYR A 38 1.465 5.787 7.644 1.00 44.14 C ATOM 624 CD2 TYR A 38 -0.584 6.304 6.530 1.00 44.11 C ATOM 625 CE1 TYR A 38 0.882 6.077 8.862 1.00 64.41 C ATOM 626 CE2 TYR A 38 -1.173 6.594 7.747 1.00 0.01 C ATOM 627 CZ TYR A 38 -0.435 6.480 8.910 1.00 43.11 C ATOM 628 OH TYR A 38 -1.021 6.763 10.127 1.00 55.31 O ATOM 0 H TYR A 38 2.174 8.234 5.922 1.00 33.15 H new ATOM 0 HA TYR A 38 2.844 6.354 3.747 1.00 23.33 H new ATOM 0 HB2 TYR A 38 0.640 5.166 4.448 1.00 23.45 H new ATOM 0 HB3 TYR A 38 2.133 4.771 5.278 1.00 23.45 H new ATOM 0 HD1 TYR A 38 2.497 5.471 7.612 1.00 44.14 H new ATOM 0 HD2 TYR A 38 -1.164 6.396 5.623 1.00 44.11 H new ATOM 0 HE1 TYR A 38 1.456 5.988 9.773 1.00 64.41 H new ATOM 0 HE2 TYR A 38 -2.205 6.908 7.789 1.00 0.01 H new ATOM 0 HH TYR A 38 -1.952 7.034 9.987 1.00 55.31 H new ATOM 638 N PHE A 39 0.790 7.094 2.404 1.00 15.40 N ATOM 639 CA PHE A 39 -0.044 7.845 1.457 1.00 30.32 C ATOM 640 C PHE A 39 -1.499 7.335 1.476 1.00 73.31 C ATOM 641 O PHE A 39 -1.840 6.426 2.235 1.00 30.31 O ATOM 642 CB PHE A 39 0.561 7.723 0.046 1.00 21.03 C ATOM 643 CG PHE A 39 0.472 8.982 -0.785 1.00 10.25 C ATOM 644 CD1 PHE A 39 1.359 10.027 -0.571 1.00 1.43 C ATOM 645 CD2 PHE A 39 -0.487 9.119 -1.779 1.00 74.23 C ATOM 646 CE1 PHE A 39 1.290 11.181 -1.328 1.00 4.12 C ATOM 647 CE2 PHE A 39 -0.560 10.272 -2.538 1.00 62.13 C ATOM 648 CZ PHE A 39 0.329 11.304 -2.311 1.00 72.42 C ATOM 0 H PHE A 39 1.099 6.184 2.061 1.00 15.40 H new ATOM 0 HA PHE A 39 -0.064 8.894 1.752 1.00 30.32 H new ATOM 0 HB2 PHE A 39 1.609 7.436 0.137 1.00 21.03 H new ATOM 0 HB3 PHE A 39 0.055 6.916 -0.484 1.00 21.03 H new ATOM 0 HD1 PHE A 39 2.113 9.937 0.197 1.00 1.43 H new ATOM 0 HD2 PHE A 39 -1.185 8.315 -1.962 1.00 74.23 H new ATOM 0 HE1 PHE A 39 1.988 11.986 -1.151 1.00 4.12 H new ATOM 0 HE2 PHE A 39 -1.312 10.366 -3.308 1.00 62.13 H new ATOM 0 HZ PHE A 39 0.272 12.206 -2.902 1.00 72.42 H new ATOM 658 N GLU A 40 -2.354 7.938 0.655 1.00 1.31 N ATOM 659 CA GLU A 40 -3.765 7.539 0.580 1.00 65.21 C ATOM 660 C GLU A 40 -3.947 6.099 0.053 1.00 43.10 C ATOM 661 O GLU A 40 -3.275 5.663 -0.887 1.00 33.32 O ATOM 662 CB GLU A 40 -4.559 8.528 -0.293 1.00 14.42 C ATOM 663 CG GLU A 40 -3.996 8.718 -1.702 1.00 60.11 C ATOM 664 CD GLU A 40 -4.822 9.676 -2.546 1.00 42.23 C ATOM 665 OE1 GLU A 40 -4.999 10.840 -2.131 1.00 64.25 O ATOM 666 OE2 GLU A 40 -5.298 9.274 -3.630 1.00 51.55 O ATOM 0 H GLU A 40 -2.100 8.704 0.031 1.00 1.31 H new ATOM 0 HA GLU A 40 -4.154 7.561 1.598 1.00 65.21 H new ATOM 0 HB2 GLU A 40 -5.589 8.180 -0.370 1.00 14.42 H new ATOM 0 HB3 GLU A 40 -4.586 9.496 0.208 1.00 14.42 H new ATOM 0 HG2 GLU A 40 -2.975 9.092 -1.632 1.00 60.11 H new ATOM 0 HG3 GLU A 40 -3.948 7.751 -2.202 1.00 60.11 H new ATOM 673 N PHE A 41 -4.859 5.362 0.688 1.00 31.55 N ATOM 674 CA PHE A 41 -5.231 4.014 0.245 1.00 24.01 C ATOM 675 C PHE A 41 -6.672 4.022 -0.294 1.00 4.43 C ATOM 676 O PHE A 41 -7.484 4.863 0.104 1.00 11.45 O ATOM 677 CB PHE A 41 -5.122 3.017 1.409 1.00 54.23 C ATOM 678 CG PHE A 41 -3.800 3.050 2.140 1.00 43.24 C ATOM 679 CD1 PHE A 41 -2.701 2.348 1.661 1.00 35.24 C ATOM 680 CD2 PHE A 41 -3.660 3.782 3.311 1.00 32.53 C ATOM 681 CE1 PHE A 41 -1.494 2.376 2.337 1.00 45.22 C ATOM 682 CE2 PHE A 41 -2.456 3.813 3.989 1.00 22.52 C ATOM 683 CZ PHE A 41 -1.371 3.110 3.501 1.00 34.01 C ATOM 0 H PHE A 41 -5.359 5.678 1.519 1.00 31.55 H new ATOM 0 HA PHE A 41 -4.548 3.707 -0.547 1.00 24.01 H new ATOM 0 HB2 PHE A 41 -5.922 3.220 2.121 1.00 54.23 H new ATOM 0 HB3 PHE A 41 -5.285 2.010 1.025 1.00 54.23 H new ATOM 0 HD1 PHE A 41 -2.790 1.774 0.751 1.00 35.24 H new ATOM 0 HD2 PHE A 41 -4.503 4.335 3.698 1.00 32.53 H new ATOM 0 HE1 PHE A 41 -0.648 1.824 1.955 1.00 45.22 H new ATOM 0 HE2 PHE A 41 -2.363 4.386 4.900 1.00 22.52 H new ATOM 0 HZ PHE A 41 -0.429 3.134 4.028 1.00 34.01 H new ATOM 693 N PHE A 42 -6.995 3.093 -1.191 1.00 65.55 N ATOM 694 CA PHE A 42 -8.343 3.035 -1.776 1.00 30.13 C ATOM 695 C PHE A 42 -9.342 2.320 -0.848 1.00 31.21 C ATOM 696 O PHE A 42 -8.966 1.764 0.188 1.00 2.33 O ATOM 697 CB PHE A 42 -8.313 2.354 -3.158 1.00 33.14 C ATOM 698 CG PHE A 42 -7.909 0.897 -3.140 1.00 72.12 C ATOM 699 CD1 PHE A 42 -6.576 0.528 -3.239 1.00 40.43 C ATOM 700 CD2 PHE A 42 -8.868 -0.103 -3.039 1.00 62.35 C ATOM 701 CE1 PHE A 42 -6.207 -0.804 -3.236 1.00 64.13 C ATOM 702 CE2 PHE A 42 -8.504 -1.436 -3.036 1.00 74.14 C ATOM 703 CZ PHE A 42 -7.172 -1.787 -3.134 1.00 44.35 C ATOM 0 H PHE A 42 -6.354 2.375 -1.529 1.00 65.55 H new ATOM 0 HA PHE A 42 -8.684 4.063 -1.899 1.00 30.13 H new ATOM 0 HB2 PHE A 42 -9.302 2.436 -3.609 1.00 33.14 H new ATOM 0 HB3 PHE A 42 -7.623 2.900 -3.801 1.00 33.14 H new ATOM 0 HD1 PHE A 42 -5.816 1.291 -3.319 1.00 40.43 H new ATOM 0 HD2 PHE A 42 -9.911 0.165 -2.962 1.00 62.35 H new ATOM 0 HE1 PHE A 42 -5.165 -1.076 -3.313 1.00 64.13 H new ATOM 0 HE2 PHE A 42 -9.261 -2.203 -2.957 1.00 74.14 H new ATOM 0 HZ PHE A 42 -6.885 -2.828 -3.131 1.00 44.35 H new ATOM 713 N ALA A 43 -10.616 2.349 -1.228 1.00 12.22 N ATOM 714 CA ALA A 43 -11.677 1.684 -0.467 1.00 51.23 C ATOM 715 C ALA A 43 -12.658 0.965 -1.402 1.00 73.25 C ATOM 716 O ALA A 43 -13.257 1.584 -2.286 1.00 30.54 O ATOM 717 CB ALA A 43 -12.414 2.696 0.404 1.00 34.22 C ATOM 0 H ALA A 43 -10.944 2.830 -2.066 1.00 12.22 H new ATOM 0 HA ALA A 43 -11.217 0.935 0.177 1.00 51.23 H new ATOM 0 HB1 ALA A 43 -13.200 2.190 0.964 1.00 34.22 H new ATOM 0 HB2 ALA A 43 -11.712 3.157 1.099 1.00 34.22 H new ATOM 0 HB3 ALA A 43 -12.857 3.465 -0.228 1.00 34.22 H new ATOM 723 N ALA A 44 -12.811 -0.341 -1.208 1.00 53.41 N ATOM 724 CA ALA A 44 -13.720 -1.152 -2.025 1.00 75.32 C ATOM 725 C ALA A 44 -14.214 -2.381 -1.254 1.00 54.54 C ATOM 726 O ALA A 44 -13.550 -2.858 -0.336 1.00 2.51 O ATOM 727 CB ALA A 44 -13.030 -1.578 -3.316 1.00 55.11 C ATOM 0 H ALA A 44 -12.316 -0.867 -0.488 1.00 53.41 H new ATOM 0 HA ALA A 44 -14.588 -0.540 -2.272 1.00 75.32 H new ATOM 0 HB1 ALA A 44 -13.715 -2.179 -3.913 1.00 55.11 H new ATOM 0 HB2 ALA A 44 -12.737 -0.693 -3.881 1.00 55.11 H new ATOM 0 HB3 ALA A 44 -12.144 -2.167 -3.078 1.00 55.11 H new ATOM 733 N ASP A 45 -15.383 -2.890 -1.635 1.00 62.44 N ATOM 734 CA ASP A 45 -15.968 -4.069 -0.985 1.00 70.20 C ATOM 735 C ASP A 45 -15.879 -5.306 -1.896 1.00 22.45 C ATOM 736 O ASP A 45 -16.352 -5.289 -3.037 1.00 63.44 O ATOM 737 CB ASP A 45 -17.426 -3.780 -0.610 1.00 34.11 C ATOM 738 CG ASP A 45 -18.109 -4.948 0.084 1.00 33.44 C ATOM 739 OD1 ASP A 45 -17.443 -5.665 0.857 1.00 63.21 O ATOM 740 OD2 ASP A 45 -19.322 -5.149 -0.135 1.00 20.31 O ATOM 0 H ASP A 45 -15.948 -2.506 -2.392 1.00 62.44 H new ATOM 0 HA ASP A 45 -15.401 -4.284 -0.079 1.00 70.20 H new ATOM 0 HB2 ASP A 45 -17.460 -2.908 0.043 1.00 34.11 H new ATOM 0 HB3 ASP A 45 -17.983 -3.526 -1.512 1.00 34.11 H new ATOM 745 N LEU A 46 -15.264 -6.373 -1.390 1.00 33.10 N ATOM 746 CA LEU A 46 -15.124 -7.623 -2.146 1.00 25.31 C ATOM 747 C LEU A 46 -16.480 -8.332 -2.328 1.00 44.55 C ATOM 748 O LEU A 46 -16.831 -9.269 -1.606 1.00 3.23 O ATOM 749 CB LEU A 46 -14.079 -8.566 -1.495 1.00 33.14 C ATOM 750 CG LEU A 46 -14.384 -9.109 -0.076 1.00 4.15 C ATOM 751 CD1 LEU A 46 -13.335 -10.139 0.331 1.00 10.15 C ATOM 752 CD2 LEU A 46 -14.439 -7.987 0.961 1.00 71.11 C ATOM 0 H LEU A 46 -14.852 -6.400 -0.457 1.00 33.10 H new ATOM 0 HA LEU A 46 -14.758 -7.360 -3.138 1.00 25.31 H new ATOM 0 HB2 LEU A 46 -13.939 -9.420 -2.158 1.00 33.14 H new ATOM 0 HB3 LEU A 46 -13.128 -8.035 -1.454 1.00 33.14 H new ATOM 0 HG LEU A 46 -15.365 -9.582 -0.110 1.00 4.15 H new ATOM 0 HD11 LEU A 46 -13.560 -10.513 1.330 1.00 10.15 H new ATOM 0 HD12 LEU A 46 -13.345 -10.967 -0.377 1.00 10.15 H new ATOM 0 HD13 LEU A 46 -12.349 -9.674 0.332 1.00 10.15 H new ATOM 0 HD21 LEU A 46 -14.655 -8.409 1.942 1.00 71.11 H new ATOM 0 HD22 LEU A 46 -13.479 -7.472 0.991 1.00 71.11 H new ATOM 0 HD23 LEU A 46 -15.222 -7.279 0.690 1.00 71.11 H new ATOM 764 N SER A 47 -17.252 -7.854 -3.298 1.00 34.43 N ATOM 765 CA SER A 47 -18.571 -8.421 -3.602 1.00 13.50 C ATOM 766 C SER A 47 -18.642 -8.886 -5.062 1.00 43.44 C ATOM 767 O SER A 47 -17.646 -8.843 -5.788 1.00 70.34 O ATOM 768 CB SER A 47 -19.673 -7.386 -3.326 1.00 51.31 C ATOM 769 OG SER A 47 -20.969 -7.948 -3.492 1.00 23.05 O ATOM 0 H SER A 47 -16.989 -7.069 -3.894 1.00 34.43 H new ATOM 0 HA SER A 47 -18.726 -9.286 -2.956 1.00 13.50 H new ATOM 0 HB2 SER A 47 -19.568 -7.004 -2.311 1.00 51.31 H new ATOM 0 HB3 SER A 47 -19.554 -6.538 -4.000 1.00 51.31 H new ATOM 0 HG SER A 47 -21.648 -7.265 -3.308 1.00 23.05 H new ATOM 775 N LEU A 48 -19.823 -9.325 -5.494 1.00 62.15 N ATOM 776 CA LEU A 48 -20.008 -9.834 -6.856 1.00 74.01 C ATOM 777 C LEU A 48 -19.805 -8.720 -7.896 1.00 31.32 C ATOM 778 O LEU A 48 -20.573 -7.755 -7.958 1.00 53.41 O ATOM 779 CB LEU A 48 -21.401 -10.483 -6.993 1.00 70.11 C ATOM 780 CG LEU A 48 -21.636 -11.328 -8.268 1.00 51.32 C ATOM 781 CD1 LEU A 48 -22.770 -12.329 -8.049 1.00 32.24 C ATOM 782 CD2 LEU A 48 -21.939 -10.443 -9.479 1.00 4.20 C ATOM 0 H LEU A 48 -20.667 -9.339 -4.922 1.00 62.15 H new ATOM 0 HA LEU A 48 -19.253 -10.597 -7.048 1.00 74.01 H new ATOM 0 HB2 LEU A 48 -21.570 -11.119 -6.124 1.00 70.11 H new ATOM 0 HB3 LEU A 48 -22.152 -9.694 -6.961 1.00 70.11 H new ATOM 0 HG LEU A 48 -20.716 -11.876 -8.473 1.00 51.32 H new ATOM 0 HD11 LEU A 48 -22.920 -12.913 -8.957 1.00 32.24 H new ATOM 0 HD12 LEU A 48 -22.513 -12.996 -7.226 1.00 32.24 H new ATOM 0 HD13 LEU A 48 -23.687 -11.792 -7.808 1.00 32.24 H new ATOM 0 HD21 LEU A 48 -22.099 -11.069 -10.357 1.00 4.20 H new ATOM 0 HD22 LEU A 48 -22.836 -9.855 -9.285 1.00 4.20 H new ATOM 0 HD23 LEU A 48 -21.098 -9.773 -9.659 1.00 4.20 H new ATOM 794 N TYR A 49 -18.758 -8.876 -8.705 1.00 3.21 N ATOM 795 CA TYR A 49 -18.399 -7.914 -9.752 1.00 2.13 C ATOM 796 C TYR A 49 -17.946 -6.561 -9.163 1.00 50.12 C ATOM 797 O TYR A 49 -18.752 -5.644 -8.978 1.00 1.12 O ATOM 798 CB TYR A 49 -19.559 -7.716 -10.743 1.00 4.15 C ATOM 799 CG TYR A 49 -19.185 -6.891 -11.964 1.00 43.01 C ATOM 800 CD1 TYR A 49 -18.278 -7.379 -12.899 1.00 32.15 C ATOM 801 CD2 TYR A 49 -19.738 -5.632 -12.184 1.00 24.11 C ATOM 802 CE1 TYR A 49 -17.933 -6.638 -14.012 1.00 40.43 C ATOM 803 CE2 TYR A 49 -19.396 -4.887 -13.298 1.00 10.25 C ATOM 804 CZ TYR A 49 -18.495 -5.395 -14.207 1.00 53.01 C ATOM 805 OH TYR A 49 -18.153 -4.659 -15.321 1.00 61.23 O ATOM 0 H TYR A 49 -18.130 -9.678 -8.654 1.00 3.21 H new ATOM 0 HA TYR A 49 -17.552 -8.334 -10.294 1.00 2.13 H new ATOM 0 HB2 TYR A 49 -19.916 -8.692 -11.071 1.00 4.15 H new ATOM 0 HB3 TYR A 49 -20.387 -7.230 -10.227 1.00 4.15 H new ATOM 0 HD1 TYR A 49 -17.836 -8.354 -12.752 1.00 32.15 H new ATOM 0 HD2 TYR A 49 -20.445 -5.231 -11.473 1.00 24.11 H new ATOM 0 HE1 TYR A 49 -17.225 -7.031 -14.727 1.00 40.43 H new ATOM 0 HE2 TYR A 49 -19.833 -3.912 -13.454 1.00 10.25 H new ATOM 0 HH TYR A 49 -18.637 -3.807 -15.311 1.00 61.23 H new ATOM 815 N PRO A 50 -16.642 -6.427 -8.847 1.00 30.01 N ATOM 816 CA PRO A 50 -16.079 -5.168 -8.337 1.00 60.21 C ATOM 817 C PRO A 50 -16.113 -4.053 -9.394 1.00 35.23 C ATOM 818 O PRO A 50 -15.186 -3.899 -10.193 1.00 14.44 O ATOM 819 CB PRO A 50 -14.633 -5.540 -7.968 1.00 1.10 C ATOM 820 CG PRO A 50 -14.324 -6.739 -8.802 1.00 12.23 C ATOM 821 CD PRO A 50 -15.624 -7.490 -8.942 1.00 44.12 C ATOM 0 HA PRO A 50 -16.646 -4.773 -7.494 1.00 60.21 H new ATOM 0 HB2 PRO A 50 -13.947 -4.721 -8.183 1.00 1.10 H new ATOM 0 HB3 PRO A 50 -14.541 -5.763 -6.905 1.00 1.10 H new ATOM 0 HG2 PRO A 50 -13.935 -6.447 -9.777 1.00 12.23 H new ATOM 0 HG3 PRO A 50 -13.563 -7.359 -8.328 1.00 12.23 H new ATOM 0 HD2 PRO A 50 -15.682 -8.019 -9.893 1.00 44.12 H new ATOM 0 HD3 PRO A 50 -15.745 -8.235 -8.155 1.00 44.12 H new ATOM 829 N HIS A 51 -17.210 -3.302 -9.410 1.00 61.13 N ATOM 830 CA HIS A 51 -17.403 -2.208 -10.372 1.00 61.44 C ATOM 831 C HIS A 51 -16.550 -0.973 -10.014 1.00 21.22 C ATOM 832 O HIS A 51 -17.074 0.078 -9.648 1.00 20.11 O ATOM 833 CB HIS A 51 -18.898 -1.842 -10.452 1.00 72.30 C ATOM 834 CG HIS A 51 -19.530 -1.550 -9.119 1.00 4.53 C ATOM 835 ND1 HIS A 51 -20.094 -2.525 -8.317 1.00 22.42 N ATOM 836 CD2 HIS A 51 -19.678 -0.385 -8.441 1.00 61.34 C ATOM 837 CE1 HIS A 51 -20.555 -1.970 -7.212 1.00 54.53 C ATOM 838 NE2 HIS A 51 -20.316 -0.678 -7.263 1.00 51.21 N ATOM 0 H HIS A 51 -17.989 -3.429 -8.764 1.00 61.13 H new ATOM 0 HA HIS A 51 -17.068 -2.552 -11.351 1.00 61.44 H new ATOM 0 HB2 HIS A 51 -19.014 -0.970 -11.096 1.00 72.30 H new ATOM 0 HB3 HIS A 51 -19.437 -2.662 -10.926 1.00 72.30 H new ATOM 0 HD2 HIS A 51 -19.354 0.592 -8.768 1.00 61.34 H new ATOM 0 HE1 HIS A 51 -21.046 -2.489 -6.402 1.00 54.53 H new ATOM 0 HE2 HIS A 51 -20.565 -0.002 -6.541 1.00 51.21 H new ATOM 847 N LEU A 52 -15.230 -1.114 -10.129 1.00 72.22 N ATOM 848 CA LEU A 52 -14.289 -0.049 -9.752 1.00 43.41 C ATOM 849 C LEU A 52 -12.847 -0.436 -10.127 1.00 44.13 C ATOM 850 O LEU A 52 -12.561 -1.603 -10.400 1.00 73.03 O ATOM 851 CB LEU A 52 -14.386 0.220 -8.236 1.00 22.12 C ATOM 852 CG LEU A 52 -13.540 1.392 -7.700 1.00 41.24 C ATOM 853 CD1 LEU A 52 -13.986 2.712 -8.322 1.00 55.01 C ATOM 854 CD2 LEU A 52 -13.615 1.461 -6.175 1.00 12.12 C ATOM 0 H LEU A 52 -14.782 -1.959 -10.482 1.00 72.22 H new ATOM 0 HA LEU A 52 -14.553 0.857 -10.298 1.00 43.41 H new ATOM 0 HB2 LEU A 52 -15.430 0.409 -7.987 1.00 22.12 H new ATOM 0 HB3 LEU A 52 -14.091 -0.686 -7.707 1.00 22.12 H new ATOM 0 HG LEU A 52 -12.502 1.217 -7.983 1.00 41.24 H new ATOM 0 HD11 LEU A 52 -13.375 3.524 -7.929 1.00 55.01 H new ATOM 0 HD12 LEU A 52 -13.870 2.662 -9.405 1.00 55.01 H new ATOM 0 HD13 LEU A 52 -15.032 2.894 -8.078 1.00 55.01 H new ATOM 0 HD21 LEU A 52 -13.011 2.295 -5.818 1.00 12.12 H new ATOM 0 HD22 LEU A 52 -14.651 1.606 -5.868 1.00 12.12 H new ATOM 0 HD23 LEU A 52 -13.237 0.531 -5.750 1.00 12.12 H new ATOM 866 N TYR A 53 -11.947 0.549 -10.160 1.00 71.50 N ATOM 867 CA TYR A 53 -10.513 0.293 -10.352 1.00 75.43 C ATOM 868 C TYR A 53 -9.667 1.405 -9.702 1.00 30.42 C ATOM 869 O TYR A 53 -9.664 2.551 -10.151 1.00 4.33 O ATOM 870 CB TYR A 53 -10.174 0.136 -11.850 1.00 23.15 C ATOM 871 CG TYR A 53 -10.409 1.381 -12.696 1.00 73.14 C ATOM 872 CD1 TYR A 53 -11.695 1.787 -13.039 1.00 45.25 C ATOM 873 CD2 TYR A 53 -9.339 2.148 -13.155 1.00 12.04 C ATOM 874 CE1 TYR A 53 -11.908 2.914 -13.809 1.00 54.44 C ATOM 875 CE2 TYR A 53 -9.546 3.276 -13.925 1.00 3.42 C ATOM 876 CZ TYR A 53 -10.830 3.656 -14.248 1.00 30.44 C ATOM 877 OH TYR A 53 -11.037 4.778 -15.018 1.00 43.21 O ATOM 0 H TYR A 53 -12.184 1.536 -10.056 1.00 71.50 H new ATOM 0 HA TYR A 53 -10.268 -0.647 -9.858 1.00 75.43 H new ATOM 0 HB2 TYR A 53 -9.128 -0.156 -11.942 1.00 23.15 H new ATOM 0 HB3 TYR A 53 -10.769 -0.681 -12.258 1.00 23.15 H new ATOM 0 HD1 TYR A 53 -12.542 1.211 -12.697 1.00 45.25 H new ATOM 0 HD2 TYR A 53 -8.330 1.855 -12.904 1.00 12.04 H new ATOM 0 HE1 TYR A 53 -12.913 3.213 -14.066 1.00 54.44 H new ATOM 0 HE2 TYR A 53 -8.705 3.857 -14.272 1.00 3.42 H new ATOM 0 HH TYR A 53 -10.174 5.185 -15.242 1.00 43.21 H new ATOM 887 N SER A 54 -8.954 1.059 -8.632 1.00 41.21 N ATOM 888 CA SER A 54 -8.188 2.044 -7.850 1.00 4.01 C ATOM 889 C SER A 54 -7.036 1.380 -7.090 1.00 34.43 C ATOM 890 O SER A 54 -7.204 0.306 -6.514 1.00 70.21 O ATOM 891 CB SER A 54 -9.117 2.748 -6.849 1.00 64.10 C ATOM 892 OG SER A 54 -9.742 1.811 -5.978 1.00 41.13 O ATOM 0 H SER A 54 -8.887 0.104 -8.281 1.00 41.21 H new ATOM 0 HA SER A 54 -7.768 2.771 -8.545 1.00 4.01 H new ATOM 0 HB2 SER A 54 -8.545 3.468 -6.263 1.00 64.10 H new ATOM 0 HB3 SER A 54 -9.879 3.310 -7.389 1.00 64.10 H new ATOM 0 HG SER A 54 -10.441 2.262 -5.460 1.00 41.13 H new ATOM 898 N ARG A 55 -5.868 2.027 -7.081 1.00 15.30 N ATOM 899 CA ARG A 55 -4.682 1.482 -6.404 1.00 22.35 C ATOM 900 C ARG A 55 -4.241 2.375 -5.231 1.00 43.30 C ATOM 901 O ARG A 55 -4.607 3.548 -5.153 1.00 23.33 O ATOM 902 CB ARG A 55 -3.514 1.307 -7.394 1.00 10.23 C ATOM 903 CG ARG A 55 -3.749 0.246 -8.477 1.00 21.00 C ATOM 904 CD ARG A 55 -4.697 0.725 -9.576 1.00 61.22 C ATOM 905 NE ARG A 55 -4.951 -0.317 -10.575 1.00 22.22 N ATOM 906 CZ ARG A 55 -4.947 -0.124 -11.868 1.00 40.11 C ATOM 907 NH1 ARG A 55 -4.721 1.048 -12.363 1.00 4.34 N ATOM 908 NH2 ARG A 55 -5.185 -1.112 -12.666 1.00 23.53 N ATOM 0 H ARG A 55 -5.715 2.928 -7.534 1.00 15.30 H new ATOM 0 HA ARG A 55 -4.959 0.506 -6.007 1.00 22.35 H new ATOM 0 HB2 ARG A 55 -3.318 2.264 -7.878 1.00 10.23 H new ATOM 0 HB3 ARG A 55 -2.617 1.043 -6.834 1.00 10.23 H new ATOM 0 HG2 ARG A 55 -2.793 -0.031 -8.922 1.00 21.00 H new ATOM 0 HG3 ARG A 55 -4.158 -0.653 -8.016 1.00 21.00 H new ATOM 0 HD2 ARG A 55 -5.641 1.037 -9.130 1.00 61.22 H new ATOM 0 HD3 ARG A 55 -4.271 1.601 -10.066 1.00 61.22 H new ATOM 0 HE ARG A 55 -5.145 -1.260 -10.237 1.00 22.22 H new ATOM 0 HH11 ARG A 55 -4.543 1.838 -11.743 1.00 4.34 H new ATOM 0 HH12 ARG A 55 -4.721 1.183 -13.374 1.00 4.34 H new ATOM 0 HH21 ARG A 55 -5.375 -2.040 -12.287 1.00 23.53 H new ATOM 0 HH22 ARG A 55 -5.183 -0.964 -13.675 1.00 23.53 H new ATOM 922 N ALA A 56 -3.451 1.804 -4.322 1.00 64.21 N ATOM 923 CA ALA A 56 -2.948 2.529 -3.143 1.00 12.14 C ATOM 924 C ALA A 56 -1.500 3.005 -3.353 1.00 22.10 C ATOM 925 O ALA A 56 -0.801 2.522 -4.245 1.00 74.23 O ATOM 926 CB ALA A 56 -3.039 1.641 -1.905 1.00 23.30 C ATOM 0 H ALA A 56 -3.141 0.834 -4.376 1.00 64.21 H new ATOM 0 HA ALA A 56 -3.571 3.411 -2.998 1.00 12.14 H new ATOM 0 HB1 ALA A 56 -2.665 2.186 -1.038 1.00 23.30 H new ATOM 0 HB2 ALA A 56 -4.078 1.359 -1.735 1.00 23.30 H new ATOM 0 HB3 ALA A 56 -2.439 0.743 -2.056 1.00 23.30 H new ATOM 932 N TYR A 57 -1.052 3.953 -2.527 1.00 21.33 N ATOM 933 CA TYR A 57 0.300 4.521 -2.659 1.00 51.10 C ATOM 934 C TYR A 57 1.050 4.529 -1.316 1.00 20.41 C ATOM 935 O TYR A 57 0.440 4.484 -0.249 1.00 32.23 O ATOM 936 CB TYR A 57 0.212 5.948 -3.219 1.00 1.25 C ATOM 937 CG TYR A 57 -0.506 6.035 -4.552 1.00 24.13 C ATOM 938 CD1 TYR A 57 -1.889 6.197 -4.614 1.00 64.34 C ATOM 939 CD2 TYR A 57 0.196 5.946 -5.749 1.00 25.43 C ATOM 940 CE1 TYR A 57 -2.546 6.275 -5.826 1.00 65.15 C ATOM 941 CE2 TYR A 57 -0.455 6.021 -6.965 1.00 21.44 C ATOM 942 CZ TYR A 57 -1.824 6.184 -6.998 1.00 10.31 C ATOM 943 OH TYR A 57 -2.472 6.259 -8.209 1.00 22.14 O ATOM 0 H TYR A 57 -1.600 4.345 -1.761 1.00 21.33 H new ATOM 0 HA TYR A 57 0.862 3.889 -3.347 1.00 51.10 H new ATOM 0 HB2 TYR A 57 -0.303 6.581 -2.497 1.00 1.25 H new ATOM 0 HB3 TYR A 57 1.220 6.348 -3.332 1.00 1.25 H new ATOM 0 HD1 TYR A 57 -2.457 6.263 -3.698 1.00 64.34 H new ATOM 0 HD2 TYR A 57 1.268 5.816 -5.728 1.00 25.43 H new ATOM 0 HE1 TYR A 57 -3.618 6.406 -5.856 1.00 65.15 H new ATOM 0 HE2 TYR A 57 0.106 5.952 -7.886 1.00 21.44 H new ATOM 0 HH TYR A 57 -1.819 6.179 -8.935 1.00 22.14 H new ATOM 953 N ILE A 58 2.383 4.588 -1.379 1.00 4.23 N ATOM 954 CA ILE A 58 3.222 4.567 -0.172 1.00 61.11 C ATOM 955 C ILE A 58 4.308 5.660 -0.219 1.00 11.11 C ATOM 956 O ILE A 58 4.873 5.947 -1.274 1.00 33.35 O ATOM 957 CB ILE A 58 3.909 3.185 0.009 1.00 32.13 C ATOM 958 CG1 ILE A 58 2.863 2.054 0.023 1.00 63.14 C ATOM 959 CG2 ILE A 58 4.746 3.159 1.290 1.00 34.40 C ATOM 960 CD1 ILE A 58 3.467 0.668 0.122 1.00 31.12 C ATOM 0 H ILE A 58 2.907 4.651 -2.252 1.00 4.23 H new ATOM 0 HA ILE A 58 2.560 4.758 0.673 1.00 61.11 H new ATOM 0 HB ILE A 58 4.576 3.024 -0.838 1.00 32.13 H new ATOM 0 HG12 ILE A 58 2.187 2.207 0.864 1.00 63.14 H new ATOM 0 HG13 ILE A 58 2.262 2.115 -0.885 1.00 63.14 H new ATOM 0 HG21 ILE A 58 5.218 2.182 1.397 1.00 34.40 H new ATOM 0 HG22 ILE A 58 5.515 3.930 1.238 1.00 34.40 H new ATOM 0 HG23 ILE A 58 4.102 3.347 2.149 1.00 34.40 H new ATOM 0 HD11 ILE A 58 2.671 -0.076 0.127 1.00 31.12 H new ATOM 0 HD12 ILE A 58 4.121 0.494 -0.732 1.00 31.12 H new ATOM 0 HD13 ILE A 58 4.044 0.588 1.043 1.00 31.12 H new ATOM 972 N ASN A 59 4.591 6.271 0.934 1.00 62.33 N ATOM 973 CA ASN A 59 5.667 7.265 1.050 1.00 40.13 C ATOM 974 C ASN A 59 6.748 6.778 2.034 1.00 34.23 C ATOM 975 O ASN A 59 6.450 6.082 3.005 1.00 22.33 O ATOM 976 CB ASN A 59 5.096 8.616 1.502 1.00 1.15 C ATOM 977 CG ASN A 59 6.159 9.699 1.593 1.00 72.14 C ATOM 978 OD1 ASN A 59 6.700 9.905 2.775 1.00 72.32 O flip ATOM 979 ND2 ASN A 59 6.487 10.352 0.609 1.00 51.14 N flip ATOM 0 H ASN A 59 4.089 6.096 1.805 1.00 62.33 H new ATOM 0 HA ASN A 59 6.129 7.394 0.071 1.00 40.13 H new ATOM 0 HB2 ASN A 59 4.321 8.931 0.803 1.00 1.15 H new ATOM 0 HB3 ASN A 59 4.619 8.497 2.475 1.00 1.15 H new ATOM 0 HD21 ASN A 59 6.049 10.169 -0.294 1.00 51.14 H new ATOM 0 HD22 ASN A 59 7.198 11.079 0.693 1.00 51.14 H new ATOM 986 N PHE A 60 8.003 7.148 1.783 1.00 41.44 N ATOM 987 CA PHE A 60 9.131 6.695 2.615 1.00 4.02 C ATOM 988 C PHE A 60 9.917 7.871 3.211 1.00 13.03 C ATOM 989 O PHE A 60 9.682 9.034 2.878 1.00 51.13 O ATOM 990 CB PHE A 60 10.071 5.806 1.786 1.00 62.23 C ATOM 991 CG PHE A 60 9.651 4.359 1.742 1.00 60.31 C ATOM 992 CD1 PHE A 60 8.789 3.890 0.759 1.00 22.31 C ATOM 993 CD2 PHE A 60 10.122 3.468 2.694 1.00 52.04 C ATOM 994 CE1 PHE A 60 8.409 2.562 0.731 1.00 74.03 C ATOM 995 CE2 PHE A 60 9.746 2.145 2.670 1.00 72.45 C ATOM 996 CZ PHE A 60 8.888 1.688 1.688 1.00 54.44 C ATOM 0 H PHE A 60 8.270 7.760 1.012 1.00 41.44 H new ATOM 0 HA PHE A 60 8.716 6.122 3.444 1.00 4.02 H new ATOM 0 HB2 PHE A 60 10.119 6.193 0.768 1.00 62.23 H new ATOM 0 HB3 PHE A 60 11.077 5.871 2.200 1.00 62.23 H new ATOM 0 HD1 PHE A 60 8.412 4.570 0.009 1.00 22.31 H new ATOM 0 HD2 PHE A 60 10.793 3.817 3.465 1.00 52.04 H new ATOM 0 HE1 PHE A 60 7.738 2.208 -0.038 1.00 74.03 H new ATOM 0 HE2 PHE A 60 10.121 1.463 3.419 1.00 72.45 H new ATOM 0 HZ PHE A 60 8.592 0.649 1.669 1.00 54.44 H new ATOM 1006 N ARG A 61 10.842 7.550 4.115 1.00 23.13 N ATOM 1007 CA ARG A 61 11.717 8.549 4.743 1.00 33.40 C ATOM 1008 C ARG A 61 13.195 8.129 4.662 1.00 15.01 C ATOM 1009 O ARG A 61 14.034 8.861 4.135 1.00 61.24 O ATOM 1010 CB ARG A 61 11.333 8.747 6.219 1.00 2.00 C ATOM 1011 CG ARG A 61 9.929 9.296 6.441 1.00 73.21 C ATOM 1012 CD ARG A 61 9.763 10.691 5.847 1.00 22.43 C ATOM 1013 NE ARG A 61 8.476 11.289 6.198 1.00 51.43 N ATOM 1014 CZ ARG A 61 7.946 12.305 5.571 1.00 25.32 C ATOM 1015 NH1 ARG A 61 8.541 12.832 4.548 1.00 11.23 N ATOM 1016 NH2 ARG A 61 6.816 12.795 5.967 1.00 45.14 N ATOM 0 H ARG A 61 11.008 6.596 4.434 1.00 23.13 H new ATOM 0 HA ARG A 61 11.586 9.484 4.199 1.00 33.40 H new ATOM 0 HB2 ARG A 61 11.421 7.791 6.735 1.00 2.00 H new ATOM 0 HB3 ARG A 61 12.051 9.425 6.680 1.00 2.00 H new ATOM 0 HG2 ARG A 61 9.200 8.621 5.992 1.00 73.21 H new ATOM 0 HG3 ARG A 61 9.717 9.329 7.510 1.00 73.21 H new ATOM 0 HD2 ARG A 61 10.569 11.333 6.201 1.00 22.43 H new ATOM 0 HD3 ARG A 61 9.853 10.636 4.762 1.00 22.43 H new ATOM 0 HE ARG A 61 7.960 10.888 6.981 1.00 51.43 H new ATOM 0 HH11 ARG A 61 9.432 12.454 4.225 1.00 11.23 H new ATOM 0 HH12 ARG A 61 8.119 13.625 4.065 1.00 11.23 H new ATOM 0 HH21 ARG A 61 6.337 12.388 6.770 1.00 45.14 H new ATOM 0 HH22 ARG A 61 6.404 13.588 5.476 1.00 45.14 H new ATOM 1030 N ASN A 62 13.501 6.942 5.186 1.00 55.55 N ATOM 1031 CA ASN A 62 14.887 6.478 5.320 1.00 4.34 C ATOM 1032 C ASN A 62 15.284 5.491 4.198 1.00 60.33 C ATOM 1033 O ASN A 62 14.545 4.552 3.902 1.00 53.42 O ATOM 1034 CB ASN A 62 15.061 5.820 6.694 1.00 33.34 C ATOM 1035 CG ASN A 62 16.513 5.517 7.024 1.00 62.10 C ATOM 1036 OD1 ASN A 62 16.915 4.270 6.879 1.00 45.41 O flip ATOM 1037 ND2 ASN A 62 17.261 6.394 7.438 1.00 63.03 N flip ATOM 0 H ASN A 62 12.805 6.279 5.527 1.00 55.55 H new ATOM 0 HA ASN A 62 15.546 7.341 5.229 1.00 4.34 H new ATOM 0 HB2 ASN A 62 14.649 6.476 7.460 1.00 33.34 H new ATOM 0 HB3 ASN A 62 14.486 4.894 6.724 1.00 33.34 H new ATOM 0 HD21 ASN A 62 16.919 7.350 7.539 1.00 63.03 H new ATOM 0 HD22 ASN A 62 18.225 6.169 7.682 1.00 63.03 H new ATOM 1044 N PRO A 63 16.473 5.685 3.579 1.00 0.03 N ATOM 1045 CA PRO A 63 16.966 4.824 2.479 1.00 15.32 C ATOM 1046 C PRO A 63 16.911 3.321 2.801 1.00 44.52 C ATOM 1047 O PRO A 63 16.357 2.530 2.034 1.00 72.53 O ATOM 1048 CB PRO A 63 18.423 5.273 2.303 1.00 33.23 C ATOM 1049 CG PRO A 63 18.451 6.679 2.795 1.00 41.14 C ATOM 1050 CD PRO A 63 17.428 6.766 3.897 1.00 52.04 C ATOM 0 HA PRO A 63 16.348 4.934 1.588 1.00 15.32 H new ATOM 0 HB2 PRO A 63 19.103 4.641 2.874 1.00 33.23 H new ATOM 0 HB3 PRO A 63 18.732 5.213 1.259 1.00 33.23 H new ATOM 0 HG2 PRO A 63 19.442 6.941 3.164 1.00 41.14 H new ATOM 0 HG3 PRO A 63 18.216 7.376 1.991 1.00 41.14 H new ATOM 0 HD2 PRO A 63 17.883 6.622 4.877 1.00 52.04 H new ATOM 0 HD3 PRO A 63 16.939 7.740 3.912 1.00 52.04 H new ATOM 1058 N ASP A 64 17.491 2.934 3.938 1.00 63.25 N ATOM 1059 CA ASP A 64 17.497 1.531 4.369 1.00 3.11 C ATOM 1060 C ASP A 64 16.068 0.986 4.519 1.00 64.54 C ATOM 1061 O ASP A 64 15.793 -0.160 4.177 1.00 71.04 O ATOM 1062 CB ASP A 64 18.262 1.395 5.690 1.00 5.02 C ATOM 1063 CG ASP A 64 18.287 -0.034 6.207 1.00 65.32 C ATOM 1064 OD1 ASP A 64 19.099 -0.840 5.709 1.00 1.02 O ATOM 1065 OD2 ASP A 64 17.506 -0.355 7.125 1.00 34.00 O ATOM 0 H ASP A 64 17.964 3.571 4.579 1.00 63.25 H new ATOM 0 HA ASP A 64 17.998 0.941 3.602 1.00 3.11 H new ATOM 0 HB2 ASP A 64 19.285 1.745 5.551 1.00 5.02 H new ATOM 0 HB3 ASP A 64 17.803 2.040 6.439 1.00 5.02 H new ATOM 1070 N ASP A 65 15.158 1.837 4.997 1.00 65.31 N ATOM 1071 CA ASP A 65 13.761 1.444 5.219 1.00 11.25 C ATOM 1072 C ASP A 65 13.092 1.062 3.884 1.00 33.15 C ATOM 1073 O ASP A 65 12.214 0.198 3.832 1.00 14.01 O ATOM 1074 CB ASP A 65 13.009 2.600 5.902 1.00 3.11 C ATOM 1075 CG ASP A 65 11.654 2.194 6.465 1.00 65.14 C ATOM 1076 OD1 ASP A 65 11.575 1.139 7.126 1.00 11.41 O ATOM 1077 OD2 ASP A 65 10.677 2.956 6.293 1.00 73.25 O ATOM 0 H ASP A 65 15.362 2.807 5.239 1.00 65.31 H new ATOM 0 HA ASP A 65 13.728 0.570 5.869 1.00 11.25 H new ATOM 0 HB2 ASP A 65 13.625 2.997 6.709 1.00 3.11 H new ATOM 0 HB3 ASP A 65 12.868 3.407 5.182 1.00 3.11 H new ATOM 1082 N ILE A 66 13.543 1.707 2.807 1.00 25.42 N ATOM 1083 CA ILE A 66 13.072 1.407 1.453 1.00 45.32 C ATOM 1084 C ILE A 66 13.510 0.003 1.002 1.00 62.12 C ATOM 1085 O ILE A 66 12.677 -0.883 0.797 1.00 12.35 O ATOM 1086 CB ILE A 66 13.609 2.448 0.433 1.00 4.12 C ATOM 1087 CG1 ILE A 66 13.186 3.872 0.835 1.00 52.02 C ATOM 1088 CG2 ILE A 66 13.129 2.119 -0.981 1.00 30.34 C ATOM 1089 CD1 ILE A 66 13.742 4.959 -0.063 1.00 63.21 C ATOM 0 H ILE A 66 14.242 2.449 2.847 1.00 25.42 H new ATOM 0 HA ILE A 66 11.983 1.450 1.482 1.00 45.32 H new ATOM 0 HB ILE A 66 14.698 2.401 0.441 1.00 4.12 H new ATOM 0 HG12 ILE A 66 12.098 3.932 0.829 1.00 52.02 H new ATOM 0 HG13 ILE A 66 13.510 4.060 1.859 1.00 52.02 H new ATOM 0 HG21 ILE A 66 13.517 2.861 -1.679 1.00 30.34 H new ATOM 0 HG22 ILE A 66 13.488 1.130 -1.266 1.00 30.34 H new ATOM 0 HG23 ILE A 66 12.039 2.131 -1.007 1.00 30.34 H new ATOM 0 HD11 ILE A 66 13.398 5.932 0.287 1.00 63.21 H new ATOM 0 HD12 ILE A 66 14.831 4.929 -0.039 1.00 63.21 H new ATOM 0 HD13 ILE A 66 13.397 4.799 -1.085 1.00 63.21 H new ATOM 1101 N LEU A 67 14.822 -0.195 0.862 1.00 62.51 N ATOM 1102 CA LEU A 67 15.370 -1.460 0.344 1.00 72.45 C ATOM 1103 C LEU A 67 15.060 -2.657 1.265 1.00 11.12 C ATOM 1104 O LEU A 67 14.835 -3.772 0.788 1.00 62.20 O ATOM 1105 CB LEU A 67 16.888 -1.320 0.088 1.00 74.21 C ATOM 1106 CG LEU A 67 17.745 -0.780 1.258 1.00 2.43 C ATOM 1107 CD1 LEU A 67 18.065 -1.872 2.280 1.00 14.22 C ATOM 1108 CD2 LEU A 67 19.033 -0.146 0.733 1.00 34.13 C ATOM 0 H LEU A 67 15.529 0.501 1.099 1.00 62.51 H new ATOM 0 HA LEU A 67 14.875 -1.670 -0.604 1.00 72.45 H new ATOM 0 HB2 LEU A 67 17.277 -2.298 -0.195 1.00 74.21 H new ATOM 0 HB3 LEU A 67 17.029 -0.661 -0.769 1.00 74.21 H new ATOM 0 HG LEU A 67 17.158 -0.016 1.767 1.00 2.43 H new ATOM 0 HD11 LEU A 67 18.668 -1.452 3.085 1.00 14.22 H new ATOM 0 HD12 LEU A 67 17.137 -2.269 2.691 1.00 14.22 H new ATOM 0 HD13 LEU A 67 18.619 -2.675 1.793 1.00 14.22 H new ATOM 0 HD21 LEU A 67 19.622 0.228 1.570 1.00 34.13 H new ATOM 0 HD22 LEU A 67 19.610 -0.893 0.188 1.00 34.13 H new ATOM 0 HD23 LEU A 67 18.786 0.680 0.066 1.00 34.13 H new ATOM 1120 N LEU A 68 15.024 -2.412 2.577 1.00 2.22 N ATOM 1121 CA LEU A 68 14.732 -3.461 3.564 1.00 3.13 C ATOM 1122 C LEU A 68 13.369 -4.121 3.301 1.00 33.43 C ATOM 1123 O LEU A 68 13.292 -5.303 2.956 1.00 54.10 O ATOM 1124 CB LEU A 68 14.771 -2.870 4.985 1.00 71.43 C ATOM 1125 CG LEU A 68 14.253 -3.790 6.105 1.00 33.13 C ATOM 1126 CD1 LEU A 68 15.075 -5.077 6.185 1.00 55.50 C ATOM 1127 CD2 LEU A 68 14.258 -3.053 7.444 1.00 60.05 C ATOM 0 H LEU A 68 15.194 -1.493 2.984 1.00 2.22 H new ATOM 0 HA LEU A 68 15.497 -4.232 3.471 1.00 3.13 H new ATOM 0 HB2 LEU A 68 15.800 -2.592 5.215 1.00 71.43 H new ATOM 0 HB3 LEU A 68 14.183 -1.952 4.993 1.00 71.43 H new ATOM 0 HG LEU A 68 13.226 -4.069 5.870 1.00 33.13 H new ATOM 0 HD11 LEU A 68 14.687 -5.708 6.985 1.00 55.50 H new ATOM 0 HD12 LEU A 68 15.008 -5.611 5.237 1.00 55.50 H new ATOM 0 HD13 LEU A 68 16.117 -4.831 6.390 1.00 55.50 H new ATOM 0 HD21 LEU A 68 13.889 -3.717 8.226 1.00 60.05 H new ATOM 0 HD22 LEU A 68 15.274 -2.740 7.683 1.00 60.05 H new ATOM 0 HD23 LEU A 68 13.614 -2.176 7.379 1.00 60.05 H new ATOM 1139 N PHE A 69 12.296 -3.352 3.452 1.00 33.23 N ATOM 1140 CA PHE A 69 10.945 -3.882 3.267 1.00 73.24 C ATOM 1141 C PHE A 69 10.632 -4.180 1.796 1.00 22.21 C ATOM 1142 O PHE A 69 9.814 -5.052 1.499 1.00 24.22 O ATOM 1143 CB PHE A 69 9.915 -2.927 3.875 1.00 40.24 C ATOM 1144 CG PHE A 69 9.736 -3.139 5.356 1.00 14.33 C ATOM 1145 CD1 PHE A 69 10.583 -2.536 6.273 1.00 45.22 C ATOM 1146 CD2 PHE A 69 8.724 -3.962 5.826 1.00 64.35 C ATOM 1147 CE1 PHE A 69 10.421 -2.750 7.629 1.00 15.14 C ATOM 1148 CE2 PHE A 69 8.556 -4.179 7.179 1.00 54.44 C ATOM 1149 CZ PHE A 69 9.406 -3.572 8.082 1.00 54.31 C ATOM 0 H PHE A 69 12.332 -2.363 3.701 1.00 33.23 H new ATOM 0 HA PHE A 69 10.889 -4.836 3.792 1.00 73.24 H new ATOM 0 HB2 PHE A 69 10.226 -1.898 3.693 1.00 40.24 H new ATOM 0 HB3 PHE A 69 8.957 -3.063 3.373 1.00 40.24 H new ATOM 0 HD1 PHE A 69 11.377 -1.893 5.924 1.00 45.22 H new ATOM 0 HD2 PHE A 69 8.058 -4.440 5.124 1.00 64.35 H new ATOM 0 HE1 PHE A 69 11.087 -2.275 8.334 1.00 15.14 H new ATOM 0 HE2 PHE A 69 7.762 -4.822 7.530 1.00 54.44 H new ATOM 0 HZ PHE A 69 9.278 -3.739 9.141 1.00 54.31 H new ATOM 1159 N ARG A 70 11.288 -3.476 0.876 1.00 63.32 N ATOM 1160 CA ARG A 70 11.175 -3.798 -0.550 1.00 42.23 C ATOM 1161 C ARG A 70 11.557 -5.265 -0.800 1.00 31.41 C ATOM 1162 O ARG A 70 10.862 -5.980 -1.512 1.00 31.00 O ATOM 1163 CB ARG A 70 12.052 -2.847 -1.397 1.00 22.40 C ATOM 1164 CG ARG A 70 12.193 -3.236 -2.877 1.00 24.24 C ATOM 1165 CD ARG A 70 13.371 -4.183 -3.115 1.00 33.14 C ATOM 1166 NE ARG A 70 13.388 -4.728 -4.470 1.00 52.34 N ATOM 1167 CZ ARG A 70 13.721 -5.961 -4.757 1.00 35.11 C ATOM 1168 NH1 ARG A 70 14.057 -6.786 -3.821 1.00 63.22 N ATOM 1169 NH2 ARG A 70 13.718 -6.372 -5.980 1.00 10.01 N ATOM 0 H ARG A 70 11.898 -2.686 1.086 1.00 63.32 H new ATOM 0 HA ARG A 70 10.138 -3.658 -0.854 1.00 42.23 H new ATOM 0 HB2 ARG A 70 11.632 -1.843 -1.340 1.00 22.40 H new ATOM 0 HB3 ARG A 70 13.046 -2.802 -0.953 1.00 22.40 H new ATOM 0 HG2 ARG A 70 11.272 -3.712 -3.215 1.00 24.24 H new ATOM 0 HG3 ARG A 70 12.326 -2.336 -3.477 1.00 24.24 H new ATOM 0 HD2 ARG A 70 14.304 -3.650 -2.930 1.00 33.14 H new ATOM 0 HD3 ARG A 70 13.324 -5.003 -2.398 1.00 33.14 H new ATOM 0 HE ARG A 70 13.125 -4.111 -5.238 1.00 52.34 H new ATOM 0 HH11 ARG A 70 14.064 -6.478 -2.849 1.00 63.22 H new ATOM 0 HH12 ARG A 70 14.315 -7.745 -4.055 1.00 63.22 H new ATOM 0 HH21 ARG A 70 13.455 -5.735 -6.732 1.00 10.01 H new ATOM 0 HH22 ARG A 70 13.979 -7.334 -6.195 1.00 10.01 H new ATOM 1183 N ASP A 71 12.663 -5.701 -0.195 1.00 1.14 N ATOM 1184 CA ASP A 71 13.163 -7.071 -0.364 1.00 23.24 C ATOM 1185 C ASP A 71 12.094 -8.129 -0.027 1.00 32.24 C ATOM 1186 O ASP A 71 11.827 -9.034 -0.820 1.00 52.52 O ATOM 1187 CB ASP A 71 14.401 -7.282 0.517 1.00 41.40 C ATOM 1188 CG ASP A 71 14.967 -8.685 0.401 1.00 20.04 C ATOM 1189 OD1 ASP A 71 15.821 -8.917 -0.478 1.00 35.13 O ATOM 1190 OD2 ASP A 71 14.559 -9.567 1.184 1.00 15.01 O ATOM 0 H ASP A 71 13.235 -5.123 0.421 1.00 1.14 H new ATOM 0 HA ASP A 71 13.426 -7.197 -1.414 1.00 23.24 H new ATOM 0 HB2 ASP A 71 15.169 -6.560 0.238 1.00 41.40 H new ATOM 0 HB3 ASP A 71 14.141 -7.084 1.557 1.00 41.40 H new ATOM 1195 N ARG A 72 11.492 -8.007 1.152 1.00 70.11 N ATOM 1196 CA ARG A 72 10.516 -8.997 1.635 1.00 10.45 C ATOM 1197 C ARG A 72 9.126 -8.832 0.988 1.00 22.04 C ATOM 1198 O ARG A 72 8.393 -9.810 0.822 1.00 63.21 O ATOM 1199 CB ARG A 72 10.406 -8.926 3.166 1.00 5.43 C ATOM 1200 CG ARG A 72 10.158 -7.524 3.712 1.00 71.25 C ATOM 1201 CD ARG A 72 10.087 -7.510 5.238 1.00 64.20 C ATOM 1202 NE ARG A 72 8.982 -8.319 5.744 1.00 4.10 N ATOM 1203 CZ ARG A 72 8.790 -8.594 7.007 1.00 62.14 C ATOM 1204 NH1 ARG A 72 9.591 -8.141 7.916 1.00 64.33 N ATOM 1205 NH2 ARG A 72 7.786 -9.320 7.368 1.00 13.14 N ATOM 0 H ARG A 72 11.658 -7.234 1.796 1.00 70.11 H new ATOM 0 HA ARG A 72 10.884 -9.979 1.339 1.00 10.45 H new ATOM 0 HB2 ARG A 72 9.596 -9.579 3.491 1.00 5.43 H new ATOM 0 HB3 ARG A 72 11.325 -9.316 3.603 1.00 5.43 H new ATOM 0 HG2 ARG A 72 10.955 -6.859 3.380 1.00 71.25 H new ATOM 0 HG3 ARG A 72 9.226 -7.134 3.302 1.00 71.25 H new ATOM 0 HD2 ARG A 72 11.026 -7.883 5.648 1.00 64.20 H new ATOM 0 HD3 ARG A 72 9.973 -6.483 5.586 1.00 64.20 H new ATOM 0 HE ARG A 72 8.317 -8.694 5.068 1.00 4.10 H new ATOM 0 HH11 ARG A 72 10.386 -7.560 7.651 1.00 64.33 H new ATOM 0 HH12 ARG A 72 9.427 -8.365 8.898 1.00 64.33 H new ATOM 0 HH21 ARG A 72 7.139 -9.681 6.667 1.00 13.14 H new ATOM 0 HH22 ARG A 72 7.639 -9.533 8.355 1.00 13.14 H new ATOM 1219 N PHE A 73 8.759 -7.602 0.627 1.00 43.11 N ATOM 1220 CA PHE A 73 7.438 -7.331 0.034 1.00 10.41 C ATOM 1221 C PHE A 73 7.462 -7.307 -1.508 1.00 23.32 C ATOM 1222 O PHE A 73 6.433 -7.088 -2.147 1.00 25.52 O ATOM 1223 CB PHE A 73 6.878 -6.006 0.573 1.00 51.32 C ATOM 1224 CG PHE A 73 6.263 -6.126 1.947 1.00 51.41 C ATOM 1225 CD1 PHE A 73 7.036 -6.002 3.094 1.00 44.30 C ATOM 1226 CD2 PHE A 73 4.905 -6.378 2.091 1.00 21.41 C ATOM 1227 CE1 PHE A 73 6.468 -6.127 4.349 1.00 21.35 C ATOM 1228 CE2 PHE A 73 4.335 -6.506 3.344 1.00 44.13 C ATOM 1229 CZ PHE A 73 5.117 -6.380 4.473 1.00 72.45 C ATOM 0 H PHE A 73 9.351 -6.778 0.732 1.00 43.11 H new ATOM 0 HA PHE A 73 6.788 -8.155 0.327 1.00 10.41 H new ATOM 0 HB2 PHE A 73 7.680 -5.268 0.606 1.00 51.32 H new ATOM 0 HB3 PHE A 73 6.127 -5.629 -0.121 1.00 51.32 H new ATOM 0 HD1 PHE A 73 8.094 -5.805 3.005 1.00 44.30 H new ATOM 0 HD2 PHE A 73 4.285 -6.475 1.212 1.00 21.41 H new ATOM 0 HE1 PHE A 73 7.082 -6.027 5.232 1.00 21.35 H new ATOM 0 HE2 PHE A 73 3.278 -6.705 3.439 1.00 44.13 H new ATOM 0 HZ PHE A 73 4.673 -6.479 5.452 1.00 72.45 H new ATOM 1239 N ASP A 74 8.629 -7.527 -2.097 1.00 33.55 N ATOM 1240 CA ASP A 74 8.758 -7.583 -3.558 1.00 13.41 C ATOM 1241 C ASP A 74 8.024 -8.815 -4.132 1.00 12.33 C ATOM 1242 O ASP A 74 8.612 -9.886 -4.303 1.00 33.10 O ATOM 1243 CB ASP A 74 10.246 -7.605 -3.947 1.00 33.14 C ATOM 1244 CG ASP A 74 10.476 -7.356 -5.425 1.00 1.35 C ATOM 1245 OD1 ASP A 74 10.299 -6.204 -5.869 1.00 65.23 O ATOM 1246 OD2 ASP A 74 10.855 -8.301 -6.148 1.00 0.24 O ATOM 0 H ASP A 74 9.503 -7.670 -1.592 1.00 33.55 H new ATOM 0 HA ASP A 74 8.293 -6.694 -3.984 1.00 13.41 H new ATOM 0 HB2 ASP A 74 10.778 -6.849 -3.370 1.00 33.14 H new ATOM 0 HB3 ASP A 74 10.672 -8.571 -3.676 1.00 33.14 H new ATOM 1251 N GLY A 75 6.724 -8.663 -4.392 1.00 44.22 N ATOM 1252 CA GLY A 75 5.919 -9.773 -4.901 1.00 2.44 C ATOM 1253 C GLY A 75 5.322 -10.618 -3.779 1.00 13.44 C ATOM 1254 O GLY A 75 5.360 -11.847 -3.820 1.00 52.22 O ATOM 0 H GLY A 75 6.211 -7.791 -4.260 1.00 44.22 H new ATOM 0 HA2 GLY A 75 5.115 -9.380 -5.524 1.00 2.44 H new ATOM 0 HA3 GLY A 75 6.537 -10.405 -5.539 1.00 2.44 H new ATOM 1258 N TYR A 76 4.766 -9.944 -2.779 1.00 61.52 N ATOM 1259 CA TYR A 76 4.202 -10.603 -1.591 1.00 44.15 C ATOM 1260 C TYR A 76 2.689 -10.862 -1.738 1.00 54.15 C ATOM 1261 O TYR A 76 1.907 -9.940 -1.955 1.00 2.41 O ATOM 1262 CB TYR A 76 4.517 -9.733 -0.357 1.00 2.31 C ATOM 1263 CG TYR A 76 3.466 -9.723 0.742 1.00 53.23 C ATOM 1264 CD1 TYR A 76 3.300 -10.801 1.606 1.00 2.24 C ATOM 1265 CD2 TYR A 76 2.653 -8.611 0.921 1.00 73.11 C ATOM 1266 CE1 TYR A 76 2.355 -10.766 2.613 1.00 3.12 C ATOM 1267 CE2 TYR A 76 1.714 -8.565 1.923 1.00 44.35 C ATOM 1268 CZ TYR A 76 1.564 -9.646 2.768 1.00 20.41 C ATOM 1269 OH TYR A 76 0.630 -9.603 3.779 1.00 23.35 O ATOM 0 H TYR A 76 4.690 -8.927 -2.762 1.00 61.52 H new ATOM 0 HA TYR A 76 4.660 -11.585 -1.471 1.00 44.15 H new ATOM 0 HB2 TYR A 76 5.459 -10.075 0.072 1.00 2.31 H new ATOM 0 HB3 TYR A 76 4.673 -8.707 -0.691 1.00 2.31 H new ATOM 0 HD1 TYR A 76 3.919 -11.678 1.488 1.00 2.24 H new ATOM 0 HD2 TYR A 76 2.761 -7.765 0.259 1.00 73.11 H new ATOM 0 HE1 TYR A 76 2.236 -11.611 3.275 1.00 3.12 H new ATOM 0 HE2 TYR A 76 1.097 -7.688 2.049 1.00 44.35 H new ATOM 0 HH TYR A 76 0.915 -8.959 4.460 1.00 23.35 H new ATOM 1279 N ILE A 77 2.291 -12.132 -1.621 1.00 30.35 N ATOM 1280 CA ILE A 77 0.877 -12.526 -1.736 1.00 43.42 C ATOM 1281 C ILE A 77 0.176 -12.556 -0.361 1.00 41.24 C ATOM 1282 O ILE A 77 0.648 -13.194 0.581 1.00 54.21 O ATOM 1283 CB ILE A 77 0.739 -13.919 -2.413 1.00 24.24 C ATOM 1284 CG1 ILE A 77 1.286 -13.882 -3.854 1.00 64.04 C ATOM 1285 CG2 ILE A 77 -0.719 -14.389 -2.404 1.00 41.43 C ATOM 1286 CD1 ILE A 77 0.498 -12.988 -4.790 1.00 23.14 C ATOM 0 H ILE A 77 2.927 -12.910 -1.446 1.00 30.35 H new ATOM 0 HA ILE A 77 0.391 -11.773 -2.356 1.00 43.42 H new ATOM 0 HB ILE A 77 1.330 -14.632 -1.839 1.00 24.24 H new ATOM 0 HG12 ILE A 77 2.321 -13.542 -3.830 1.00 64.04 H new ATOM 0 HG13 ILE A 77 1.292 -14.895 -4.255 1.00 64.04 H new ATOM 0 HG21 ILE A 77 -0.789 -15.366 -2.883 1.00 41.43 H new ATOM 0 HG22 ILE A 77 -1.071 -14.463 -1.375 1.00 41.43 H new ATOM 0 HG23 ILE A 77 -1.335 -13.673 -2.947 1.00 41.43 H new ATOM 0 HD11 ILE A 77 0.946 -13.016 -5.783 1.00 23.14 H new ATOM 0 HD12 ILE A 77 -0.532 -13.339 -4.846 1.00 23.14 H new ATOM 0 HD13 ILE A 77 0.513 -11.965 -4.414 1.00 23.14 H new ATOM 1298 N PHE A 78 -0.959 -11.866 -0.261 1.00 75.12 N ATOM 1299 CA PHE A 78 -1.751 -11.832 0.977 1.00 72.31 C ATOM 1300 C PHE A 78 -3.134 -12.477 0.771 1.00 52.24 C ATOM 1301 O PHE A 78 -3.849 -12.144 -0.173 1.00 51.12 O ATOM 1302 CB PHE A 78 -1.898 -10.380 1.454 1.00 24.32 C ATOM 1303 CG PHE A 78 -2.808 -10.210 2.647 1.00 63.24 C ATOM 1304 CD1 PHE A 78 -2.411 -10.629 3.910 1.00 11.44 C ATOM 1305 CD2 PHE A 78 -4.059 -9.623 2.506 1.00 34.23 C ATOM 1306 CE1 PHE A 78 -3.244 -10.471 5.001 1.00 35.11 C ATOM 1307 CE2 PHE A 78 -4.895 -9.463 3.594 1.00 32.13 C ATOM 1308 CZ PHE A 78 -4.487 -9.886 4.843 1.00 3.03 C ATOM 0 H PHE A 78 -1.356 -11.319 -1.025 1.00 75.12 H new ATOM 0 HA PHE A 78 -1.229 -12.410 1.740 1.00 72.31 H new ATOM 0 HB2 PHE A 78 -0.912 -9.990 1.705 1.00 24.32 H new ATOM 0 HB3 PHE A 78 -2.280 -9.776 0.631 1.00 24.32 H new ATOM 0 HD1 PHE A 78 -1.440 -11.084 4.041 1.00 11.44 H new ATOM 0 HD2 PHE A 78 -4.383 -9.287 1.532 1.00 34.23 H new ATOM 0 HE1 PHE A 78 -2.924 -10.804 5.977 1.00 35.11 H new ATOM 0 HE2 PHE A 78 -5.866 -9.008 3.468 1.00 32.13 H new ATOM 0 HZ PHE A 78 -5.138 -9.760 5.696 1.00 3.03 H new ATOM 1318 N LEU A 79 -3.503 -13.396 1.664 1.00 51.52 N ATOM 1319 CA LEU A 79 -4.777 -14.123 1.560 1.00 33.53 C ATOM 1320 C LEU A 79 -5.800 -13.678 2.621 1.00 31.42 C ATOM 1321 O LEU A 79 -5.483 -13.559 3.807 1.00 35.22 O ATOM 1322 CB LEU A 79 -4.533 -15.634 1.691 1.00 14.42 C ATOM 1323 CG LEU A 79 -3.774 -16.281 0.523 1.00 23.31 C ATOM 1324 CD1 LEU A 79 -3.332 -17.697 0.882 1.00 11.44 C ATOM 1325 CD2 LEU A 79 -4.651 -16.299 -0.726 1.00 3.40 C ATOM 0 H LEU A 79 -2.938 -13.658 2.472 1.00 51.52 H new ATOM 0 HA LEU A 79 -5.195 -13.891 0.580 1.00 33.53 H new ATOM 0 HB2 LEU A 79 -3.976 -15.817 2.610 1.00 14.42 H new ATOM 0 HB3 LEU A 79 -5.496 -16.133 1.797 1.00 14.42 H new ATOM 0 HG LEU A 79 -2.882 -15.688 0.320 1.00 23.31 H new ATOM 0 HD11 LEU A 79 -2.797 -18.136 0.040 1.00 11.44 H new ATOM 0 HD12 LEU A 79 -2.676 -17.664 1.752 1.00 11.44 H new ATOM 0 HD13 LEU A 79 -4.208 -18.304 1.111 1.00 11.44 H new ATOM 0 HD21 LEU A 79 -4.104 -16.760 -1.548 1.00 3.40 H new ATOM 0 HD22 LEU A 79 -5.556 -16.872 -0.527 1.00 3.40 H new ATOM 0 HD23 LEU A 79 -4.920 -15.278 -0.996 1.00 3.40 H new ATOM 1337 N ASP A 80 -7.030 -13.435 2.175 1.00 73.52 N ATOM 1338 CA ASP A 80 -8.163 -13.188 3.074 1.00 24.33 C ATOM 1339 C ASP A 80 -8.952 -14.499 3.290 1.00 4.44 C ATOM 1340 O ASP A 80 -8.672 -15.503 2.634 1.00 22.01 O ATOM 1341 CB ASP A 80 -9.067 -12.097 2.467 1.00 34.10 C ATOM 1342 CG ASP A 80 -10.226 -11.709 3.371 1.00 44.33 C ATOM 1343 OD1 ASP A 80 -10.055 -10.800 4.211 1.00 41.21 O ATOM 1344 OD2 ASP A 80 -11.308 -12.323 3.253 1.00 74.41 O ATOM 0 H ASP A 80 -7.273 -13.403 1.185 1.00 73.52 H new ATOM 0 HA ASP A 80 -7.800 -12.843 4.042 1.00 24.33 H new ATOM 0 HB2 ASP A 80 -8.466 -11.212 2.257 1.00 34.10 H new ATOM 0 HB3 ASP A 80 -9.460 -12.449 1.513 1.00 34.10 H new ATOM 1349 N SER A 81 -9.929 -14.494 4.201 1.00 53.54 N ATOM 1350 CA SER A 81 -10.789 -15.675 4.429 1.00 2.23 C ATOM 1351 C SER A 81 -11.491 -16.134 3.142 1.00 61.45 C ATOM 1352 O SER A 81 -11.872 -17.296 3.014 1.00 25.34 O ATOM 1353 CB SER A 81 -11.850 -15.383 5.500 1.00 24.23 C ATOM 1354 OG SER A 81 -11.257 -15.145 6.766 1.00 64.22 O ATOM 0 H SER A 81 -10.149 -13.693 4.793 1.00 53.54 H new ATOM 0 HA SER A 81 -10.132 -16.475 4.771 1.00 2.23 H new ATOM 0 HB2 SER A 81 -12.439 -14.515 5.204 1.00 24.23 H new ATOM 0 HB3 SER A 81 -12.538 -16.225 5.572 1.00 24.23 H new ATOM 0 HG SER A 81 -11.958 -14.961 7.426 1.00 64.22 H new ATOM 1360 N LYS A 82 -11.666 -15.210 2.195 1.00 72.32 N ATOM 1361 CA LYS A 82 -12.273 -15.528 0.894 1.00 31.15 C ATOM 1362 C LYS A 82 -11.282 -16.245 -0.047 1.00 34.12 C ATOM 1363 O LYS A 82 -11.629 -16.597 -1.174 1.00 53.14 O ATOM 1364 CB LYS A 82 -12.786 -14.243 0.224 1.00 0.22 C ATOM 1365 CG LYS A 82 -13.909 -13.541 0.985 1.00 61.02 C ATOM 1366 CD LYS A 82 -15.170 -14.398 1.067 1.00 11.11 C ATOM 1367 CE LYS A 82 -16.343 -13.625 1.668 1.00 74.41 C ATOM 1368 NZ LYS A 82 -16.066 -13.175 3.057 1.00 33.54 N ATOM 0 H LYS A 82 -11.396 -14.232 2.302 1.00 72.32 H new ATOM 0 HA LYS A 82 -13.106 -16.206 1.080 1.00 31.15 H new ATOM 0 HB2 LYS A 82 -11.953 -13.550 0.109 1.00 0.22 H new ATOM 0 HB3 LYS A 82 -13.139 -14.486 -0.778 1.00 0.22 H new ATOM 0 HG2 LYS A 82 -13.569 -13.300 1.992 1.00 61.02 H new ATOM 0 HG3 LYS A 82 -14.144 -12.597 0.494 1.00 61.02 H new ATOM 0 HD2 LYS A 82 -15.438 -14.747 0.070 1.00 11.11 H new ATOM 0 HD3 LYS A 82 -14.970 -15.283 1.672 1.00 11.11 H new ATOM 0 HE2 LYS A 82 -16.563 -12.759 1.044 1.00 74.41 H new ATOM 0 HE3 LYS A 82 -17.232 -14.255 1.663 1.00 74.41 H new ATOM 0 HZ1 LYS A 82 -16.913 -12.715 3.448 1.00 33.54 H new ATOM 0 HZ2 LYS A 82 -15.815 -13.996 3.644 1.00 33.54 H new ATOM 0 HZ3 LYS A 82 -15.276 -12.499 3.052 1.00 33.54 H new ATOM 1382 N GLY A 83 -10.049 -16.449 0.421 1.00 10.20 N ATOM 1383 CA GLY A 83 -9.024 -17.117 -0.383 1.00 60.34 C ATOM 1384 C GLY A 83 -8.554 -16.294 -1.585 1.00 55.43 C ATOM 1385 O GLY A 83 -8.053 -16.848 -2.565 1.00 21.41 O ATOM 0 H GLY A 83 -9.737 -16.162 1.349 1.00 10.20 H new ATOM 0 HA2 GLY A 83 -8.166 -17.341 0.251 1.00 60.34 H new ATOM 0 HA3 GLY A 83 -9.416 -18.070 -0.737 1.00 60.34 H new ATOM 1389 N LEU A 84 -8.707 -14.974 -1.508 1.00 1.53 N ATOM 1390 CA LEU A 84 -8.282 -14.077 -2.591 1.00 41.13 C ATOM 1391 C LEU A 84 -6.787 -13.745 -2.481 1.00 11.10 C ATOM 1392 O LEU A 84 -6.329 -13.246 -1.453 1.00 22.43 O ATOM 1393 CB LEU A 84 -9.111 -12.783 -2.560 1.00 42.31 C ATOM 1394 CG LEU A 84 -10.627 -12.973 -2.727 1.00 64.24 C ATOM 1395 CD1 LEU A 84 -11.352 -11.630 -2.667 1.00 52.13 C ATOM 1396 CD2 LEU A 84 -10.940 -13.696 -4.034 1.00 33.33 C ATOM 0 H LEU A 84 -9.122 -14.497 -0.708 1.00 1.53 H new ATOM 0 HA LEU A 84 -8.448 -14.589 -3.539 1.00 41.13 H new ATOM 0 HB2 LEU A 84 -8.927 -12.275 -1.613 1.00 42.31 H new ATOM 0 HB3 LEU A 84 -8.754 -12.123 -3.351 1.00 42.31 H new ATOM 0 HG LEU A 84 -10.984 -13.589 -1.902 1.00 64.24 H new ATOM 0 HD11 LEU A 84 -12.424 -11.789 -2.788 1.00 52.13 H new ATOM 0 HD12 LEU A 84 -11.162 -11.156 -1.704 1.00 52.13 H new ATOM 0 HD13 LEU A 84 -10.989 -10.984 -3.467 1.00 52.13 H new ATOM 0 HD21 LEU A 84 -12.018 -13.820 -4.132 1.00 33.33 H new ATOM 0 HD22 LEU A 84 -10.564 -13.110 -4.873 1.00 33.33 H new ATOM 0 HD23 LEU A 84 -10.461 -14.675 -4.032 1.00 33.33 H new ATOM 1408 N GLU A 85 -6.033 -14.031 -3.541 1.00 73.44 N ATOM 1409 CA GLU A 85 -4.592 -13.758 -3.565 1.00 31.34 C ATOM 1410 C GLU A 85 -4.301 -12.299 -3.945 1.00 74.54 C ATOM 1411 O GLU A 85 -4.287 -11.944 -5.127 1.00 24.11 O ATOM 1412 CB GLU A 85 -3.881 -14.706 -4.545 1.00 42.54 C ATOM 1413 CG GLU A 85 -4.016 -16.185 -4.193 1.00 74.11 C ATOM 1414 CD GLU A 85 -3.277 -17.089 -5.166 1.00 53.33 C ATOM 1415 OE1 GLU A 85 -3.851 -17.432 -6.221 1.00 4.31 O ATOM 1416 OE2 GLU A 85 -2.113 -17.453 -4.887 1.00 62.40 O ATOM 0 H GLU A 85 -6.394 -14.452 -4.397 1.00 73.44 H new ATOM 0 HA GLU A 85 -4.209 -13.929 -2.559 1.00 31.34 H new ATOM 0 HB2 GLU A 85 -4.282 -14.544 -5.545 1.00 42.54 H new ATOM 0 HB3 GLU A 85 -2.823 -14.447 -4.580 1.00 42.54 H new ATOM 0 HG2 GLU A 85 -3.633 -16.351 -3.186 1.00 74.11 H new ATOM 0 HG3 GLU A 85 -5.072 -16.457 -4.181 1.00 74.11 H new ATOM 1423 N TYR A 86 -4.096 -11.453 -2.940 1.00 62.34 N ATOM 1424 CA TYR A 86 -3.730 -10.051 -3.166 1.00 61.13 C ATOM 1425 C TYR A 86 -2.215 -9.918 -3.408 1.00 12.30 C ATOM 1426 O TYR A 86 -1.416 -10.151 -2.500 1.00 31.14 O ATOM 1427 CB TYR A 86 -4.142 -9.190 -1.964 1.00 25.25 C ATOM 1428 CG TYR A 86 -5.637 -9.168 -1.697 1.00 34.12 C ATOM 1429 CD1 TYR A 86 -6.491 -8.385 -2.471 1.00 14.01 C ATOM 1430 CD2 TYR A 86 -6.195 -9.924 -0.668 1.00 5.02 C ATOM 1431 CE1 TYR A 86 -7.852 -8.356 -2.226 1.00 20.23 C ATOM 1432 CE2 TYR A 86 -7.554 -9.899 -0.419 1.00 54.35 C ATOM 1433 CZ TYR A 86 -8.378 -9.115 -1.200 1.00 43.20 C ATOM 1434 OH TYR A 86 -9.732 -9.087 -0.954 1.00 14.34 O ATOM 0 H TYR A 86 -4.176 -11.711 -1.957 1.00 62.34 H new ATOM 0 HA TYR A 86 -4.259 -9.700 -4.052 1.00 61.13 H new ATOM 0 HB2 TYR A 86 -3.631 -9.559 -1.075 1.00 25.25 H new ATOM 0 HB3 TYR A 86 -3.799 -8.169 -2.128 1.00 25.25 H new ATOM 0 HD1 TYR A 86 -6.083 -7.791 -3.276 1.00 14.01 H new ATOM 0 HD2 TYR A 86 -5.554 -10.540 -0.055 1.00 5.02 H new ATOM 0 HE1 TYR A 86 -8.500 -7.743 -2.834 1.00 20.23 H new ATOM 0 HE2 TYR A 86 -7.969 -10.491 0.383 1.00 54.35 H new ATOM 0 HH TYR A 86 -9.940 -9.677 -0.200 1.00 14.34 H new ATOM 1444 N PRO A 87 -1.795 -9.555 -4.634 1.00 40.01 N ATOM 1445 CA PRO A 87 -0.380 -9.440 -4.981 1.00 52.02 C ATOM 1446 C PRO A 87 0.200 -8.038 -4.715 1.00 43.53 C ATOM 1447 O PRO A 87 -0.133 -7.070 -5.393 1.00 2.21 O ATOM 1448 CB PRO A 87 -0.380 -9.771 -6.479 1.00 60.30 C ATOM 1449 CG PRO A 87 -1.747 -9.390 -6.982 1.00 3.44 C ATOM 1450 CD PRO A 87 -2.655 -9.221 -5.778 1.00 72.42 C ATOM 0 HA PRO A 87 0.249 -10.095 -4.379 1.00 52.02 H new ATOM 0 HB2 PRO A 87 0.398 -9.216 -7.002 1.00 60.30 H new ATOM 0 HB3 PRO A 87 -0.183 -10.830 -6.646 1.00 60.30 H new ATOM 0 HG2 PRO A 87 -1.698 -8.465 -7.556 1.00 3.44 H new ATOM 0 HG3 PRO A 87 -2.136 -10.159 -7.649 1.00 3.44 H new ATOM 0 HD2 PRO A 87 -3.037 -8.203 -5.706 1.00 72.42 H new ATOM 0 HD3 PRO A 87 -3.519 -9.883 -5.834 1.00 72.42 H new ATOM 1458 N ALA A 88 1.064 -7.945 -3.709 1.00 22.21 N ATOM 1459 CA ALA A 88 1.731 -6.688 -3.367 1.00 21.52 C ATOM 1460 C ALA A 88 3.114 -6.593 -4.035 1.00 10.31 C ATOM 1461 O ALA A 88 4.060 -7.273 -3.634 1.00 60.32 O ATOM 1462 CB ALA A 88 1.858 -6.569 -1.851 1.00 42.14 C ATOM 0 H ALA A 88 1.322 -8.730 -3.111 1.00 22.21 H new ATOM 0 HA ALA A 88 1.126 -5.862 -3.741 1.00 21.52 H new ATOM 0 HB1 ALA A 88 2.355 -5.632 -1.600 1.00 42.14 H new ATOM 0 HB2 ALA A 88 0.866 -6.585 -1.400 1.00 42.14 H new ATOM 0 HB3 ALA A 88 2.444 -7.405 -1.468 1.00 42.14 H new ATOM 1468 N VAL A 89 3.219 -5.773 -5.080 1.00 71.03 N ATOM 1469 CA VAL A 89 4.489 -5.584 -5.797 1.00 22.00 C ATOM 1470 C VAL A 89 5.074 -4.178 -5.562 1.00 30.53 C ATOM 1471 O VAL A 89 4.604 -3.195 -6.129 1.00 72.21 O ATOM 1472 CB VAL A 89 4.307 -5.823 -7.321 1.00 4.32 C ATOM 1473 CG1 VAL A 89 5.615 -5.595 -8.080 1.00 73.23 C ATOM 1474 CG2 VAL A 89 3.769 -7.231 -7.581 1.00 2.25 C ATOM 0 H VAL A 89 2.442 -5.227 -5.452 1.00 71.03 H new ATOM 0 HA VAL A 89 5.190 -6.318 -5.399 1.00 22.00 H new ATOM 0 HB VAL A 89 3.580 -5.100 -7.690 1.00 4.32 H new ATOM 0 HG11 VAL A 89 5.454 -5.770 -9.144 1.00 73.23 H new ATOM 0 HG12 VAL A 89 5.950 -4.569 -7.928 1.00 73.23 H new ATOM 0 HG13 VAL A 89 6.375 -6.283 -7.710 1.00 73.23 H new ATOM 0 HG21 VAL A 89 3.647 -7.382 -8.654 1.00 2.25 H new ATOM 0 HG22 VAL A 89 4.471 -7.967 -7.188 1.00 2.25 H new ATOM 0 HG23 VAL A 89 2.805 -7.349 -7.086 1.00 2.25 H new ATOM 1484 N VAL A 90 6.097 -4.090 -4.714 1.00 51.52 N ATOM 1485 CA VAL A 90 6.754 -2.810 -4.413 1.00 53.34 C ATOM 1486 C VAL A 90 7.684 -2.373 -5.561 1.00 32.02 C ATOM 1487 O VAL A 90 8.700 -3.017 -5.825 1.00 51.24 O ATOM 1488 CB VAL A 90 7.575 -2.908 -3.099 1.00 12.45 C ATOM 1489 CG1 VAL A 90 8.235 -1.573 -2.760 1.00 12.11 C ATOM 1490 CG2 VAL A 90 6.694 -3.388 -1.945 1.00 1.33 C ATOM 0 H VAL A 90 6.493 -4.890 -4.220 1.00 51.52 H new ATOM 0 HA VAL A 90 5.968 -2.064 -4.294 1.00 53.34 H new ATOM 0 HB VAL A 90 8.367 -3.641 -3.252 1.00 12.45 H new ATOM 0 HG11 VAL A 90 8.803 -1.672 -1.835 1.00 12.11 H new ATOM 0 HG12 VAL A 90 8.906 -1.283 -3.569 1.00 12.11 H new ATOM 0 HG13 VAL A 90 7.468 -0.809 -2.634 1.00 12.11 H new ATOM 0 HG21 VAL A 90 7.289 -3.450 -1.034 1.00 1.33 H new ATOM 0 HG22 VAL A 90 5.874 -2.685 -1.796 1.00 1.33 H new ATOM 0 HG23 VAL A 90 6.289 -4.372 -2.181 1.00 1.33 H new ATOM 1500 N GLU A 91 7.342 -1.277 -6.241 1.00 64.12 N ATOM 1501 CA GLU A 91 8.158 -0.787 -7.364 1.00 33.22 C ATOM 1502 C GLU A 91 8.461 0.718 -7.256 1.00 24.25 C ATOM 1503 O GLU A 91 7.706 1.485 -6.655 1.00 13.21 O ATOM 1504 CB GLU A 91 7.480 -1.096 -8.710 1.00 20.42 C ATOM 1505 CG GLU A 91 6.079 -0.514 -8.863 1.00 53.54 C ATOM 1506 CD GLU A 91 5.551 -0.632 -10.285 1.00 14.23 C ATOM 1507 OE1 GLU A 91 5.236 -1.760 -10.724 1.00 0.02 O ATOM 1508 OE2 GLU A 91 5.447 0.406 -10.976 1.00 24.43 O ATOM 0 H GLU A 91 6.516 -0.714 -6.040 1.00 64.12 H new ATOM 0 HA GLU A 91 9.109 -1.317 -7.314 1.00 33.22 H new ATOM 0 HB2 GLU A 91 8.108 -0.713 -9.515 1.00 20.42 H new ATOM 0 HB3 GLU A 91 7.426 -2.177 -8.835 1.00 20.42 H new ATOM 0 HG2 GLU A 91 5.399 -1.028 -8.183 1.00 53.54 H new ATOM 0 HG3 GLU A 91 6.091 0.536 -8.569 1.00 53.54 H new ATOM 1515 N PHE A 92 9.575 1.131 -7.859 1.00 62.55 N ATOM 1516 CA PHE A 92 10.053 2.517 -7.762 1.00 35.54 C ATOM 1517 C PHE A 92 9.241 3.472 -8.658 1.00 61.35 C ATOM 1518 O PHE A 92 8.967 3.174 -9.818 1.00 44.32 O ATOM 1519 CB PHE A 92 11.546 2.571 -8.129 1.00 33.22 C ATOM 1520 CG PHE A 92 12.150 3.955 -8.065 1.00 32.42 C ATOM 1521 CD1 PHE A 92 12.184 4.657 -6.868 1.00 72.42 C ATOM 1522 CD2 PHE A 92 12.684 4.551 -9.201 1.00 24.31 C ATOM 1523 CE1 PHE A 92 12.733 5.923 -6.805 1.00 4.42 C ATOM 1524 CE2 PHE A 92 13.235 5.818 -9.140 1.00 71.14 C ATOM 1525 CZ PHE A 92 13.260 6.504 -7.941 1.00 12.43 C ATOM 0 H PHE A 92 10.169 0.524 -8.424 1.00 62.55 H new ATOM 0 HA PHE A 92 9.916 2.852 -6.734 1.00 35.54 H new ATOM 0 HB2 PHE A 92 12.098 1.914 -7.456 1.00 33.22 H new ATOM 0 HB3 PHE A 92 11.675 2.177 -9.137 1.00 33.22 H new ATOM 0 HD1 PHE A 92 11.776 4.208 -5.975 1.00 72.42 H new ATOM 0 HD2 PHE A 92 12.669 4.019 -10.141 1.00 24.31 H new ATOM 0 HE1 PHE A 92 12.750 6.458 -5.867 1.00 4.42 H new ATOM 0 HE2 PHE A 92 13.646 6.271 -10.030 1.00 71.14 H new ATOM 0 HZ PHE A 92 13.691 7.493 -7.893 1.00 12.43 H new ATOM 1535 N ALA A 93 8.855 4.620 -8.103 1.00 41.43 N ATOM 1536 CA ALA A 93 8.145 5.661 -8.861 1.00 74.31 C ATOM 1537 C ALA A 93 9.133 6.698 -9.440 1.00 20.11 C ATOM 1538 O ALA A 93 10.229 6.870 -8.913 1.00 64.31 O ATOM 1539 CB ALA A 93 7.121 6.342 -7.957 1.00 74.04 C ATOM 0 H ALA A 93 9.021 4.858 -7.125 1.00 41.43 H new ATOM 0 HA ALA A 93 7.629 5.193 -9.699 1.00 74.31 H new ATOM 0 HB1 ALA A 93 6.595 7.113 -8.520 1.00 74.04 H new ATOM 0 HB2 ALA A 93 6.405 5.603 -7.598 1.00 74.04 H new ATOM 0 HB3 ALA A 93 7.631 6.796 -7.107 1.00 74.04 H new ATOM 1545 N PRO A 94 8.753 7.430 -10.514 1.00 31.35 N ATOM 1546 CA PRO A 94 9.652 8.413 -11.176 1.00 52.11 C ATOM 1547 C PRO A 94 9.997 9.645 -10.308 1.00 13.34 C ATOM 1548 O PRO A 94 10.592 10.609 -10.798 1.00 32.13 O ATOM 1549 CB PRO A 94 8.850 8.838 -12.416 1.00 35.13 C ATOM 1550 CG PRO A 94 7.426 8.594 -12.046 1.00 21.11 C ATOM 1551 CD PRO A 94 7.437 7.361 -11.181 1.00 13.11 C ATOM 0 HA PRO A 94 10.624 7.969 -11.391 1.00 52.11 H new ATOM 0 HB2 PRO A 94 9.022 9.887 -12.659 1.00 35.13 H new ATOM 0 HB3 PRO A 94 9.137 8.256 -13.292 1.00 35.13 H new ATOM 0 HG2 PRO A 94 7.009 9.446 -11.509 1.00 21.11 H new ATOM 0 HG3 PRO A 94 6.811 8.445 -12.933 1.00 21.11 H new ATOM 0 HD2 PRO A 94 6.619 7.367 -10.460 1.00 13.11 H new ATOM 0 HD3 PRO A 94 7.333 6.452 -11.774 1.00 13.11 H new ATOM 1559 N PHE A 95 9.627 9.601 -9.027 1.00 3.33 N ATOM 1560 CA PHE A 95 9.898 10.691 -8.076 1.00 2.14 C ATOM 1561 C PHE A 95 9.176 11.999 -8.462 1.00 75.12 C ATOM 1562 O PHE A 95 8.115 12.310 -7.920 1.00 1.25 O ATOM 1563 CB PHE A 95 11.415 10.927 -7.927 1.00 72.53 C ATOM 1564 CG PHE A 95 11.768 12.032 -6.957 1.00 3.31 C ATOM 1565 CD1 PHE A 95 11.460 11.913 -5.609 1.00 3.50 C ATOM 1566 CD2 PHE A 95 12.406 13.187 -7.392 1.00 32.45 C ATOM 1567 CE1 PHE A 95 11.778 12.921 -4.717 1.00 1.40 C ATOM 1568 CE2 PHE A 95 12.726 14.196 -6.504 1.00 74.43 C ATOM 1569 CZ PHE A 95 12.411 14.063 -5.166 1.00 55.45 C ATOM 0 H PHE A 95 9.131 8.811 -8.615 1.00 3.33 H new ATOM 0 HA PHE A 95 9.498 10.377 -7.112 1.00 2.14 H new ATOM 0 HB2 PHE A 95 11.887 10.002 -7.596 1.00 72.53 H new ATOM 0 HB3 PHE A 95 11.834 11.167 -8.904 1.00 72.53 H new ATOM 0 HD1 PHE A 95 10.966 11.022 -5.252 1.00 3.50 H new ATOM 0 HD2 PHE A 95 12.655 13.297 -8.437 1.00 32.45 H new ATOM 0 HE1 PHE A 95 11.532 12.815 -3.671 1.00 1.40 H new ATOM 0 HE2 PHE A 95 13.222 15.088 -6.856 1.00 74.43 H new ATOM 0 HZ PHE A 95 12.660 14.852 -4.471 1.00 55.45 H new ATOM 1579 N GLN A 96 9.749 12.757 -9.401 1.00 45.35 N ATOM 1580 CA GLN A 96 9.186 14.054 -9.808 1.00 74.22 C ATOM 1581 C GLN A 96 9.364 14.317 -11.307 1.00 40.51 C ATOM 1582 O GLN A 96 10.395 13.975 -11.900 1.00 24.13 O ATOM 1583 CB GLN A 96 9.824 15.197 -8.994 1.00 71.24 C ATOM 1584 CG GLN A 96 9.257 15.345 -7.587 1.00 13.12 C ATOM 1585 CD GLN A 96 7.813 15.812 -7.600 1.00 32.40 C ATOM 1586 OE1 GLN A 96 7.533 17.003 -7.525 1.00 60.13 O ATOM 1587 NE2 GLN A 96 6.887 14.883 -7.728 1.00 15.13 N ATOM 0 H GLN A 96 10.603 12.498 -9.896 1.00 45.35 H new ATOM 0 HA GLN A 96 8.116 14.017 -9.604 1.00 74.22 H new ATOM 0 HB2 GLN A 96 10.898 15.026 -8.926 1.00 71.24 H new ATOM 0 HB3 GLN A 96 9.684 16.135 -9.532 1.00 71.24 H new ATOM 0 HG2 GLN A 96 9.324 14.389 -7.067 1.00 13.12 H new ATOM 0 HG3 GLN A 96 9.863 16.056 -7.025 1.00 13.12 H new ATOM 0 HE21 GLN A 96 7.155 13.901 -7.788 1.00 15.13 H new ATOM 0 HE22 GLN A 96 5.902 15.146 -7.767 1.00 15.13 H new ATOM 1596 N LYS A 97 8.347 14.931 -11.911 1.00 71.23 N ATOM 1597 CA LYS A 97 8.389 15.294 -13.331 1.00 43.00 C ATOM 1598 C LYS A 97 9.080 16.658 -13.540 1.00 44.13 C ATOM 1599 O LYS A 97 8.510 17.693 -13.119 1.00 38.03 O ATOM 1600 CB LYS A 97 6.969 15.325 -13.919 1.00 14.41 C ATOM 1601 CG LYS A 97 6.934 15.451 -15.440 1.00 50.12 C ATOM 1602 CD LYS A 97 7.636 14.273 -16.114 1.00 25.01 C ATOM 1603 CE LYS A 97 7.591 14.370 -17.634 1.00 10.55 C ATOM 1604 NZ LYS A 97 8.284 13.224 -18.279 1.00 64.22 N ATOM 1605 OXT LYS A 97 10.195 16.689 -14.110 1.00 38.03 O ATOM 0 H LYS A 97 7.480 15.189 -11.439 1.00 71.23 H new ATOM 0 HA LYS A 97 8.973 14.535 -13.852 1.00 43.00 H new ATOM 0 HB2 LYS A 97 6.445 14.415 -13.627 1.00 14.41 H new ATOM 0 HB3 LYS A 97 6.423 16.161 -13.482 1.00 14.41 H new ATOM 0 HG2 LYS A 97 5.899 15.502 -15.779 1.00 50.12 H new ATOM 0 HG3 LYS A 97 7.414 16.383 -15.740 1.00 50.12 H new ATOM 0 HD2 LYS A 97 8.674 14.234 -15.785 1.00 25.01 H new ATOM 0 HD3 LYS A 97 7.166 13.342 -15.797 1.00 25.01 H new ATOM 0 HE2 LYS A 97 6.553 14.401 -17.966 1.00 10.55 H new ATOM 0 HE3 LYS A 97 8.056 15.303 -17.953 1.00 10.55 H new ATOM 0 HZ1 LYS A 97 8.233 13.325 -19.313 1.00 64.22 H new ATOM 0 HZ2 LYS A 97 9.280 13.209 -17.982 1.00 64.22 H new ATOM 0 HZ3 LYS A 97 7.824 12.336 -17.994 1.00 64.22 H new TER 1619 LYS A 97