USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 686 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 31 TYR OH : rot 46:sc= -0.861 USER MOD Set 1.2: A 66 LYS NZ :NH3+ -148:sc= 0.282 (180deg=-0.000522) USER MOD Single : A 0 HIS : no HD1:sc= -0.0103 X(o=-0.01,f=-0.01) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0.137 USER MOD Single : A 8 SER OG : rot 49:sc= 0.264 USER MOD Single : A -1 SER OG : rot 180:sc= 0.0976 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot -99:sc= 0.237 USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 17 SER OG : rot -52:sc= 0.65 USER MOD Single : A 18 HIS : no HE2:sc= -0.812 K(o=-0.81,f=-2.4!) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0218 USER MOD Single : A 21 SER OG : rot 110:sc= 0.302 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.123 K(o=-0.12,f=-1.3!) USER MOD Single : A 36 LYS NZ :NH3+ 160:sc= 0.78 (180deg=0.444) USER MOD Single : A 37 CYS SG : rot 180:sc= -2.14 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.0142) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot -106:sc= 0.213 USER MOD Single : A 74 ASN : amide:sc= 0.00162 X(o=0.0016,f=-0.047) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN :FLIP amide:sc= 0.0817 F(o=-0.75,f=0.082) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -15.117 -5.773 -0.686 1.00 51.44 N ATOM 2 CA GLY A -2 -14.386 -4.852 0.223 1.00 22.43 C ATOM 3 C GLY A -2 -14.311 -3.440 -0.326 1.00 23.41 C ATOM 4 O GLY A -2 -15.327 -2.917 -0.802 1.00 53.44 O ATOM 0 H1 GLY A -2 -15.142 -6.725 -0.269 1.00 51.44 H new ATOM 0 H2 GLY A -2 -16.089 -5.428 -0.821 1.00 51.44 H new ATOM 0 H3 GLY A -2 -14.632 -5.811 -1.605 1.00 51.44 H new ATOM 0 HA2 GLY A -2 -14.880 -4.836 1.194 1.00 22.43 H new ATOM 0 HA3 GLY A -2 -13.377 -5.230 0.385 1.00 22.43 H new ATOM 10 N SER A -1 -13.102 -2.843 -0.234 1.00 22.40 N ATOM 11 CA SER A -1 -12.784 -1.489 -0.733 1.00 1.12 C ATOM 12 C SER A -1 -13.476 -0.402 0.128 1.00 63.32 C ATOM 13 O SER A -1 -13.937 -0.702 1.239 1.00 1.41 O ATOM 14 CB SER A -1 -13.120 -1.369 -2.245 1.00 52.45 C ATOM 15 OG SER A -1 -12.438 -0.288 -2.864 1.00 73.54 O ATOM 0 H SER A -1 -12.301 -3.302 0.200 1.00 22.40 H new ATOM 0 HA SER A -1 -11.711 -1.321 -0.635 1.00 1.12 H new ATOM 0 HB2 SER A -1 -12.856 -2.299 -2.749 1.00 52.45 H new ATOM 0 HB3 SER A -1 -14.195 -1.235 -2.367 1.00 52.45 H new ATOM 0 HG SER A -1 -12.677 -0.251 -3.814 1.00 73.54 H new ATOM 21 N HIS A 0 -13.456 0.862 -0.357 1.00 40.31 N ATOM 22 CA HIS A 0 -14.145 2.013 0.274 1.00 24.42 C ATOM 23 C HIS A 0 -13.518 2.342 1.657 1.00 23.14 C ATOM 24 O HIS A 0 -14.203 2.714 2.613 1.00 74.01 O ATOM 25 CB HIS A 0 -15.677 1.723 0.336 1.00 34.22 C ATOM 26 CG HIS A 0 -16.576 2.891 0.682 1.00 0.35 C ATOM 27 ND1 HIS A 0 -17.790 2.728 1.306 1.00 75.25 N ATOM 28 CD2 HIS A 0 -16.431 4.228 0.493 1.00 41.21 C ATOM 29 CE1 HIS A 0 -18.351 3.905 1.495 1.00 4.51 C ATOM 30 NE2 HIS A 0 -17.546 4.839 1.016 1.00 31.33 N ATOM 0 H HIS A 0 -12.954 1.114 -1.209 1.00 40.31 H new ATOM 0 HA HIS A 0 -14.009 2.911 -0.329 1.00 24.42 H new ATOM 0 HB2 HIS A 0 -15.988 1.329 -0.631 1.00 34.22 H new ATOM 0 HB3 HIS A 0 -15.845 0.935 1.070 1.00 34.22 H new ATOM 0 HD2 HIS A 0 -15.594 4.720 0.019 1.00 41.21 H new ATOM 0 HE1 HIS A 0 -19.309 4.078 1.963 1.00 4.51 H new ATOM 0 HE2 HIS A 0 -17.723 5.843 1.032 1.00 31.33 H new ATOM 39 N MET A 1 -12.184 2.233 1.728 1.00 51.34 N ATOM 40 CA MET A 1 -11.436 2.449 2.972 1.00 20.14 C ATOM 41 C MET A 1 -10.189 3.294 2.692 1.00 40.30 C ATOM 42 O MET A 1 -9.492 3.071 1.695 1.00 21.11 O ATOM 43 CB MET A 1 -11.001 1.111 3.598 1.00 4.43 C ATOM 44 CG MET A 1 -12.140 0.213 4.062 1.00 5.42 C ATOM 45 SD MET A 1 -11.565 -1.400 4.620 1.00 33.41 S ATOM 46 CE MET A 1 -13.125 -2.194 5.001 1.00 11.40 C ATOM 0 H MET A 1 -11.597 1.994 0.929 1.00 51.34 H new ATOM 0 HA MET A 1 -12.092 2.969 3.670 1.00 20.14 H new ATOM 0 HB2 MET A 1 -10.402 0.565 2.869 1.00 4.43 H new ATOM 0 HB3 MET A 1 -10.354 1.320 4.450 1.00 4.43 H new ATOM 0 HG2 MET A 1 -12.678 0.704 4.873 1.00 5.42 H new ATOM 0 HG3 MET A 1 -12.849 0.079 3.245 1.00 5.42 H new ATOM 0 HE1 MET A 1 -12.940 -3.206 5.361 1.00 11.40 H new ATOM 0 HE2 MET A 1 -13.645 -1.624 5.771 1.00 11.40 H new ATOM 0 HE3 MET A 1 -13.741 -2.236 4.103 1.00 11.40 H new ATOM 56 N VAL A 2 -9.904 4.255 3.573 1.00 52.11 N ATOM 57 CA VAL A 2 -8.736 5.123 3.411 1.00 45.32 C ATOM 58 C VAL A 2 -8.151 5.519 4.787 1.00 32.10 C ATOM 59 O VAL A 2 -8.806 6.156 5.618 1.00 14.25 O ATOM 60 CB VAL A 2 -9.058 6.360 2.491 1.00 23.33 C ATOM 61 CG1 VAL A 2 -10.215 7.219 3.006 1.00 73.05 C ATOM 62 CG2 VAL A 2 -7.821 7.216 2.251 1.00 2.32 C ATOM 0 H VAL A 2 -10.464 4.451 4.403 1.00 52.11 H new ATOM 0 HA VAL A 2 -7.958 4.563 2.892 1.00 45.32 H new ATOM 0 HB VAL A 2 -9.383 5.939 1.540 1.00 23.33 H new ATOM 0 HG11 VAL A 2 -10.381 8.052 2.323 1.00 73.05 H new ATOM 0 HG12 VAL A 2 -11.119 6.613 3.066 1.00 73.05 H new ATOM 0 HG13 VAL A 2 -9.970 7.604 3.996 1.00 73.05 H new ATOM 0 HG21 VAL A 2 -8.081 8.060 1.612 1.00 2.32 H new ATOM 0 HG22 VAL A 2 -7.443 7.585 3.205 1.00 2.32 H new ATOM 0 HG23 VAL A 2 -7.052 6.616 1.764 1.00 2.32 H new ATOM 72 N ILE A 3 -6.917 5.068 5.035 1.00 1.01 N ATOM 73 CA ILE A 3 -6.245 5.247 6.332 1.00 73.52 C ATOM 74 C ILE A 3 -4.830 5.794 6.099 1.00 32.21 C ATOM 75 O ILE A 3 -4.053 5.202 5.343 1.00 62.11 O ATOM 76 CB ILE A 3 -6.208 3.878 7.124 1.00 53.11 C ATOM 77 CG1 ILE A 3 -7.638 3.447 7.498 1.00 13.21 C ATOM 78 CG2 ILE A 3 -5.325 3.925 8.394 1.00 54.12 C ATOM 79 CD1 ILE A 3 -7.910 1.970 7.294 1.00 53.32 C ATOM 0 H ILE A 3 -6.354 4.569 4.346 1.00 1.01 H new ATOM 0 HA ILE A 3 -6.800 5.964 6.937 1.00 73.52 H new ATOM 0 HB ILE A 3 -5.755 3.146 6.455 1.00 53.11 H new ATOM 0 HG12 ILE A 3 -7.821 3.699 8.543 1.00 13.21 H new ATOM 0 HG13 ILE A 3 -8.347 4.022 6.903 1.00 13.21 H new ATOM 0 HG21 ILE A 3 -5.346 2.953 8.888 1.00 54.12 H new ATOM 0 HG22 ILE A 3 -4.300 4.169 8.116 1.00 54.12 H new ATOM 0 HG23 ILE A 3 -5.707 4.686 9.075 1.00 54.12 H new ATOM 0 HD11 ILE A 3 -8.938 1.746 7.580 1.00 53.32 H new ATOM 0 HD12 ILE A 3 -7.761 1.714 6.245 1.00 53.32 H new ATOM 0 HD13 ILE A 3 -7.227 1.386 7.910 1.00 53.32 H new ATOM 91 N ARG A 4 -4.515 6.955 6.704 1.00 31.31 N ATOM 92 CA ARG A 4 -3.168 7.528 6.613 1.00 34.12 C ATOM 93 C ARG A 4 -2.377 7.202 7.882 1.00 23.50 C ATOM 94 O ARG A 4 -2.993 6.883 8.910 1.00 22.41 O ATOM 95 CB ARG A 4 -3.187 9.058 6.438 1.00 33.54 C ATOM 96 CG ARG A 4 -4.052 9.582 5.281 1.00 72.50 C ATOM 97 CD ARG A 4 -5.383 10.113 5.800 1.00 50.53 C ATOM 98 NE ARG A 4 -5.203 11.222 6.745 1.00 51.32 N ATOM 99 CZ ARG A 4 -6.201 11.872 7.355 1.00 50.52 C ATOM 100 NH1 ARG A 4 -7.474 11.545 7.115 1.00 5.13 N ATOM 101 NH2 ARG A 4 -5.919 12.862 8.192 1.00 44.05 N ATOM 0 H ARG A 4 -5.172 7.507 7.255 1.00 31.31 H new ATOM 0 HA ARG A 4 -2.700 7.087 5.733 1.00 34.12 H new ATOM 0 HB2 ARG A 4 -3.541 9.508 7.366 1.00 33.54 H new ATOM 0 HB3 ARG A 4 -2.164 9.402 6.288 1.00 33.54 H new ATOM 0 HG2 ARG A 4 -3.520 10.373 4.753 1.00 72.50 H new ATOM 0 HG3 ARG A 4 -4.229 8.782 4.562 1.00 72.50 H new ATOM 0 HD2 ARG A 4 -5.992 10.448 4.960 1.00 50.53 H new ATOM 0 HD3 ARG A 4 -5.929 9.306 6.288 1.00 50.53 H new ATOM 0 HE ARG A 4 -4.249 11.518 6.951 1.00 51.32 H new ATOM 0 HH11 ARG A 4 -7.693 10.793 6.461 1.00 5.13 H new ATOM 0 HH12 ARG A 4 -8.227 12.047 7.586 1.00 5.13 H new ATOM 0 HH21 ARG A 4 -4.948 13.122 8.366 1.00 44.05 H new ATOM 0 HH22 ARG A 4 -6.673 13.363 8.662 1.00 44.05 H new ATOM 115 N GLU A 5 -1.017 7.280 7.788 1.00 40.21 N ATOM 116 CA GLU A 5 -0.071 7.039 8.924 1.00 71.13 C ATOM 117 C GLU A 5 0.005 5.505 9.220 1.00 24.13 C ATOM 118 O GLU A 5 -0.784 4.728 8.658 1.00 41.44 O ATOM 119 CB GLU A 5 -0.438 7.933 10.185 1.00 1.24 C ATOM 120 CG GLU A 5 0.505 7.881 11.411 1.00 3.13 C ATOM 121 CD GLU A 5 0.084 8.854 12.494 1.00 4.11 C ATOM 122 OE1 GLU A 5 0.406 10.062 12.374 1.00 32.21 O ATOM 123 OE2 GLU A 5 -0.577 8.417 13.455 1.00 34.25 O ATOM 0 H GLU A 5 -0.542 7.513 6.916 1.00 40.21 H new ATOM 0 HA GLU A 5 0.934 7.357 8.647 1.00 71.13 H new ATOM 0 HB2 GLU A 5 -0.498 8.970 9.853 1.00 1.24 H new ATOM 0 HB3 GLU A 5 -1.435 7.647 10.518 1.00 1.24 H new ATOM 0 HG2 GLU A 5 0.516 6.869 11.817 1.00 3.13 H new ATOM 0 HG3 GLU A 5 1.523 8.109 11.095 1.00 3.13 H new ATOM 130 N SER A 6 1.057 5.076 9.970 1.00 4.32 N ATOM 131 CA SER A 6 1.249 3.668 10.435 1.00 22.24 C ATOM 132 C SER A 6 1.924 2.864 9.293 1.00 73.52 C ATOM 133 O SER A 6 2.463 3.454 8.350 1.00 2.50 O ATOM 134 CB SER A 6 -0.085 2.982 10.969 1.00 21.21 C ATOM 135 OG SER A 6 0.182 1.805 11.724 1.00 42.42 O ATOM 0 H SER A 6 1.804 5.701 10.273 1.00 4.32 H new ATOM 0 HA SER A 6 1.901 3.677 11.309 1.00 22.24 H new ATOM 0 HB2 SER A 6 -0.634 3.692 11.587 1.00 21.21 H new ATOM 0 HB3 SER A 6 -0.727 2.732 10.124 1.00 21.21 H new ATOM 0 HG SER A 6 -0.663 1.417 12.034 1.00 42.42 H new ATOM 141 N VAL A 7 1.932 1.536 9.390 1.00 73.44 N ATOM 142 CA VAL A 7 2.553 0.692 8.373 1.00 71.14 C ATOM 143 C VAL A 7 1.605 -0.405 7.959 1.00 13.40 C ATOM 144 O VAL A 7 0.909 -0.998 8.787 1.00 71.31 O ATOM 145 CB VAL A 7 3.940 0.059 8.773 1.00 73.52 C ATOM 146 CG1 VAL A 7 5.067 0.798 8.079 1.00 2.32 C ATOM 147 CG2 VAL A 7 4.213 -0.017 10.283 1.00 44.35 C ATOM 0 H VAL A 7 1.514 1.021 10.165 1.00 73.44 H new ATOM 0 HA VAL A 7 2.766 1.368 7.545 1.00 71.14 H new ATOM 0 HB VAL A 7 3.889 -0.977 8.438 1.00 73.52 H new ATOM 0 HG11 VAL A 7 6.022 0.354 8.361 1.00 2.32 H new ATOM 0 HG12 VAL A 7 4.939 0.726 6.999 1.00 2.32 H new ATOM 0 HG13 VAL A 7 5.052 1.846 8.377 1.00 2.32 H new ATOM 0 HG21 VAL A 7 5.191 -0.467 10.454 1.00 44.35 H new ATOM 0 HG22 VAL A 7 4.197 0.987 10.707 1.00 44.35 H new ATOM 0 HG23 VAL A 7 3.445 -0.625 10.761 1.00 44.35 H new ATOM 157 N SER A 8 1.544 -0.606 6.656 1.00 73.25 N ATOM 158 CA SER A 8 0.739 -1.666 6.053 1.00 30.50 C ATOM 159 C SER A 8 1.491 -2.996 6.117 1.00 11.31 C ATOM 160 O SER A 8 2.645 -3.069 5.695 1.00 43.41 O ATOM 161 CB SER A 8 0.416 -1.289 4.592 1.00 32.32 C ATOM 162 OG SER A 8 1.408 -0.430 4.050 1.00 23.12 O ATOM 0 H SER A 8 2.052 -0.039 5.978 1.00 73.25 H new ATOM 0 HA SER A 8 -0.194 -1.778 6.604 1.00 30.50 H new ATOM 0 HB2 SER A 8 0.345 -2.193 3.988 1.00 32.32 H new ATOM 0 HB3 SER A 8 -0.557 -0.799 4.547 1.00 32.32 H new ATOM 0 HG SER A 8 2.296 -0.805 4.225 1.00 23.12 H new ATOM 168 N ARG A 9 0.848 -4.050 6.647 1.00 54.14 N ATOM 169 CA ARG A 9 1.514 -5.371 6.758 1.00 34.10 C ATOM 170 C ARG A 9 0.663 -6.461 6.099 1.00 44.33 C ATOM 171 O ARG A 9 -0.535 -6.312 6.103 1.00 32.52 O ATOM 172 CB ARG A 9 1.833 -5.813 8.218 1.00 1.43 C ATOM 173 CG ARG A 9 0.672 -5.724 9.234 1.00 40.54 C ATOM 174 CD ARG A 9 0.469 -4.321 9.780 1.00 24.52 C ATOM 175 NE ARG A 9 -0.755 -4.201 10.560 1.00 13.13 N ATOM 176 CZ ARG A 9 -0.949 -3.285 11.507 1.00 73.41 C ATOM 177 NH1 ARG A 9 0.016 -2.406 11.807 1.00 63.50 N ATOM 178 NH2 ARG A 9 -2.101 -3.264 12.164 1.00 70.44 N ATOM 0 H ARG A 9 -0.109 -4.023 6.999 1.00 54.14 H new ATOM 0 HA ARG A 9 2.467 -5.246 6.244 1.00 34.10 H new ATOM 0 HB2 ARG A 9 2.186 -6.844 8.193 1.00 1.43 H new ATOM 0 HB3 ARG A 9 2.657 -5.202 8.587 1.00 1.43 H new ATOM 0 HG2 ARG A 9 -0.249 -6.059 8.756 1.00 40.54 H new ATOM 0 HG3 ARG A 9 0.868 -6.406 10.062 1.00 40.54 H new ATOM 0 HD2 ARG A 9 1.322 -4.049 10.403 1.00 24.52 H new ATOM 0 HD3 ARG A 9 0.440 -3.612 8.952 1.00 24.52 H new ATOM 0 HE ARG A 9 -1.510 -4.859 10.369 1.00 13.13 H new ATOM 0 HH11 ARG A 9 0.906 -2.436 11.309 1.00 63.50 H new ATOM 0 HH12 ARG A 9 -0.139 -1.707 12.533 1.00 63.50 H new ATOM 0 HH21 ARG A 9 -2.827 -3.945 11.942 1.00 70.44 H new ATOM 0 HH22 ARG A 9 -2.261 -2.567 12.891 1.00 70.44 H new ATOM 192 N ILE A 10 1.230 -7.583 5.587 1.00 55.04 N ATOM 193 CA ILE A 10 0.377 -8.631 4.990 1.00 32.34 C ATOM 194 C ILE A 10 0.502 -9.903 5.831 1.00 64.01 C ATOM 195 O ILE A 10 1.579 -10.150 6.425 1.00 22.21 O ATOM 196 CB ILE A 10 0.675 -8.877 3.422 1.00 14.45 C ATOM 197 CG1 ILE A 10 -0.263 -7.980 2.562 1.00 15.14 C ATOM 198 CG2 ILE A 10 0.513 -10.366 2.957 1.00 43.42 C ATOM 199 CD1 ILE A 10 0.018 -7.898 1.050 1.00 53.50 C ATOM 0 H ILE A 10 2.231 -7.778 5.576 1.00 55.04 H new ATOM 0 HA ILE A 10 -0.659 -8.294 5.011 1.00 32.34 H new ATOM 0 HB ILE A 10 1.724 -8.617 3.278 1.00 14.45 H new ATOM 0 HG12 ILE A 10 -1.284 -8.337 2.695 1.00 15.14 H new ATOM 0 HG13 ILE A 10 -0.224 -6.968 2.966 1.00 15.14 H new ATOM 0 HG21 ILE A 10 0.732 -10.440 1.892 1.00 43.42 H new ATOM 0 HG22 ILE A 10 1.204 -10.998 3.514 1.00 43.42 H new ATOM 0 HG23 ILE A 10 -0.510 -10.695 3.141 1.00 43.42 H new ATOM 0 HD11 ILE A 10 -0.712 -7.239 0.579 1.00 53.50 H new ATOM 0 HD12 ILE A 10 1.021 -7.503 0.887 1.00 53.50 H new ATOM 0 HD13 ILE A 10 -0.056 -8.893 0.612 1.00 53.50 H new ATOM 211 N TYR A 11 -0.632 -10.647 5.962 1.00 42.05 N ATOM 212 CA TYR A 11 -0.641 -11.892 6.756 1.00 24.12 C ATOM 213 C TYR A 11 -0.694 -13.138 5.812 1.00 45.31 C ATOM 214 O TYR A 11 -1.642 -13.243 5.019 1.00 5.10 O ATOM 215 CB TYR A 11 -1.852 -11.886 7.733 1.00 74.34 C ATOM 216 CG TYR A 11 -1.721 -12.853 8.898 1.00 3.23 C ATOM 217 CD1 TYR A 11 -0.891 -12.547 9.974 1.00 32.35 C ATOM 218 CD2 TYR A 11 -2.429 -14.051 8.938 1.00 55.13 C ATOM 219 CE1 TYR A 11 -0.765 -13.406 11.049 1.00 2.42 C ATOM 220 CE2 TYR A 11 -2.307 -14.915 10.015 1.00 4.25 C ATOM 221 CZ TYR A 11 -1.473 -14.589 11.064 1.00 64.21 C ATOM 222 OH TYR A 11 -1.351 -15.444 12.136 1.00 64.34 O ATOM 0 H TYR A 11 -1.527 -10.407 5.536 1.00 42.05 H new ATOM 0 HA TYR A 11 0.277 -11.949 7.341 1.00 24.12 H new ATOM 0 HB2 TYR A 11 -1.982 -10.878 8.126 1.00 74.34 H new ATOM 0 HB3 TYR A 11 -2.756 -12.129 7.174 1.00 74.34 H new ATOM 0 HD1 TYR A 11 -0.335 -11.621 9.968 1.00 32.35 H new ATOM 0 HD2 TYR A 11 -3.082 -14.311 8.118 1.00 55.13 H new ATOM 0 HE1 TYR A 11 -0.115 -13.152 11.873 1.00 2.42 H new ATOM 0 HE2 TYR A 11 -2.863 -15.841 10.033 1.00 4.25 H new ATOM 0 HH TYR A 11 -0.717 -16.158 11.915 1.00 64.34 H new ATOM 232 N VAL A 12 0.304 -14.085 5.850 1.00 41.01 N ATOM 233 CA VAL A 12 0.217 -15.292 4.983 1.00 42.10 C ATOM 234 C VAL A 12 0.323 -16.569 5.876 1.00 15.03 C ATOM 235 O VAL A 12 1.395 -16.893 6.386 1.00 72.50 O ATOM 236 CB VAL A 12 1.310 -15.249 3.778 1.00 34.31 C ATOM 237 CG1 VAL A 12 2.650 -14.778 4.280 1.00 12.42 C ATOM 238 CG2 VAL A 12 1.550 -16.587 3.046 1.00 75.34 C ATOM 0 H VAL A 12 1.133 -14.034 6.442 1.00 41.01 H new ATOM 0 HA VAL A 12 -0.750 -15.316 4.481 1.00 42.10 H new ATOM 0 HB VAL A 12 0.865 -14.557 3.063 1.00 34.31 H new ATOM 0 HG11 VAL A 12 3.362 -14.759 3.454 1.00 12.42 H new ATOM 0 HG12 VAL A 12 2.551 -13.776 4.697 1.00 12.42 H new ATOM 0 HG13 VAL A 12 3.009 -15.458 5.052 1.00 12.42 H new ATOM 0 HG21 VAL A 12 2.295 -16.445 2.263 1.00 75.34 H new ATOM 0 HG22 VAL A 12 1.908 -17.332 3.757 1.00 75.34 H new ATOM 0 HG23 VAL A 12 0.617 -16.930 2.600 1.00 75.34 H new ATOM 248 N GLY A 13 -0.808 -17.282 6.097 1.00 5.15 N ATOM 249 CA GLY A 13 -0.769 -18.499 6.917 1.00 55.14 C ATOM 250 C GLY A 13 -1.089 -19.762 6.139 1.00 2.20 C ATOM 251 O GLY A 13 -1.562 -19.668 5.016 1.00 24.24 O ATOM 0 H GLY A 13 -1.728 -17.039 5.728 1.00 5.15 H new ATOM 0 HA2 GLY A 13 0.221 -18.597 7.362 1.00 55.14 H new ATOM 0 HA3 GLY A 13 -1.479 -18.398 7.738 1.00 55.14 H new ATOM 255 N ASN A 14 -0.809 -20.958 6.742 1.00 5.42 N ATOM 256 CA ASN A 14 -1.046 -22.292 6.095 1.00 74.32 C ATOM 257 C ASN A 14 -0.470 -22.440 4.659 1.00 40.30 C ATOM 258 O ASN A 14 -0.934 -23.263 3.889 1.00 32.33 O ATOM 259 CB ASN A 14 -2.543 -22.610 6.091 1.00 14.32 C ATOM 260 CG ASN A 14 -3.052 -22.980 7.470 1.00 4.44 C ATOM 261 OD1 ASN A 14 -3.008 -24.143 7.859 1.00 33.33 O ATOM 262 ND2 ASN A 14 -3.534 -21.996 8.214 1.00 21.11 N ATOM 0 H ASN A 14 -0.416 -21.027 7.681 1.00 5.42 H new ATOM 0 HA ASN A 14 -0.495 -23.010 6.703 1.00 74.32 H new ATOM 0 HB2 ASN A 14 -3.095 -21.746 5.721 1.00 14.32 H new ATOM 0 HB3 ASN A 14 -2.737 -23.432 5.401 1.00 14.32 H new ATOM 0 HD21 ASN A 14 -3.888 -22.191 9.151 1.00 21.11 H new ATOM 0 HD22 ASN A 14 -3.551 -21.043 7.850 1.00 21.11 H new ATOM 269 N LEU A 15 0.545 -21.651 4.337 1.00 13.40 N ATOM 270 CA LEU A 15 1.268 -21.722 3.085 1.00 54.30 C ATOM 271 C LEU A 15 2.143 -22.989 3.032 1.00 3.34 C ATOM 272 O LEU A 15 2.700 -23.396 4.059 1.00 1.34 O ATOM 273 CB LEU A 15 2.134 -20.443 2.920 1.00 24.43 C ATOM 274 CG LEU A 15 3.382 -20.303 3.833 1.00 54.31 C ATOM 275 CD1 LEU A 15 4.352 -19.313 3.233 1.00 73.05 C ATOM 276 CD2 LEU A 15 3.037 -19.849 5.248 1.00 61.21 C ATOM 0 H LEU A 15 0.895 -20.924 4.961 1.00 13.40 H new ATOM 0 HA LEU A 15 0.556 -21.779 2.261 1.00 54.30 H new ATOM 0 HB2 LEU A 15 2.468 -20.393 1.883 1.00 24.43 H new ATOM 0 HB3 LEU A 15 1.493 -19.578 3.090 1.00 24.43 H new ATOM 0 HG LEU A 15 3.828 -21.295 3.899 1.00 54.31 H new ATOM 0 HD11 LEU A 15 5.224 -19.221 3.880 1.00 73.05 H new ATOM 0 HD12 LEU A 15 4.665 -19.661 2.249 1.00 73.05 H new ATOM 0 HD13 LEU A 15 3.867 -18.341 3.137 1.00 73.05 H new ATOM 0 HD21 LEU A 15 3.950 -19.770 5.838 1.00 61.21 H new ATOM 0 HD22 LEU A 15 2.545 -18.877 5.209 1.00 61.21 H new ATOM 0 HD23 LEU A 15 2.369 -20.575 5.710 1.00 61.21 H new ATOM 288 N PRO A 16 2.248 -23.658 1.858 1.00 52.34 N ATOM 289 CA PRO A 16 3.176 -24.779 1.699 1.00 22.21 C ATOM 290 C PRO A 16 4.641 -24.286 1.629 1.00 3.54 C ATOM 291 O PRO A 16 4.866 -23.188 1.109 1.00 70.42 O ATOM 292 CB PRO A 16 2.747 -25.437 0.374 1.00 42.12 C ATOM 293 CG PRO A 16 1.938 -24.427 -0.364 1.00 15.44 C ATOM 294 CD PRO A 16 1.456 -23.402 0.629 1.00 2.14 C ATOM 0 HA PRO A 16 3.140 -25.472 2.539 1.00 22.21 H new ATOM 0 HB2 PRO A 16 3.618 -25.736 -0.209 1.00 42.12 H new ATOM 0 HB3 PRO A 16 2.164 -26.339 0.561 1.00 42.12 H new ATOM 0 HG2 PRO A 16 2.537 -23.953 -1.141 1.00 15.44 H new ATOM 0 HG3 PRO A 16 1.093 -24.904 -0.860 1.00 15.44 H new ATOM 0 HD2 PRO A 16 1.616 -22.389 0.260 1.00 2.14 H new ATOM 0 HD3 PRO A 16 0.388 -23.507 0.818 1.00 2.14 H new ATOM 302 N SER A 17 5.596 -25.047 2.262 1.00 62.45 N ATOM 303 CA SER A 17 7.079 -24.880 2.153 1.00 30.30 C ATOM 304 C SER A 17 7.634 -23.852 3.152 1.00 51.32 C ATOM 305 O SER A 17 8.753 -24.047 3.647 1.00 71.23 O ATOM 306 CB SER A 17 7.629 -24.581 0.715 1.00 22.51 C ATOM 307 OG SER A 17 7.605 -23.200 0.380 1.00 53.43 O ATOM 0 H SER A 17 5.340 -25.817 2.881 1.00 62.45 H new ATOM 0 HA SER A 17 7.450 -25.872 2.411 1.00 30.30 H new ATOM 0 HB2 SER A 17 8.653 -24.948 0.642 1.00 22.51 H new ATOM 0 HB3 SER A 17 7.039 -25.135 -0.015 1.00 22.51 H new ATOM 0 HG SER A 17 6.709 -22.839 0.546 1.00 53.43 H new ATOM 313 N HIS A 18 6.841 -22.792 3.441 1.00 13.14 N ATOM 314 CA HIS A 18 7.226 -21.653 4.293 1.00 42.32 C ATOM 315 C HIS A 18 8.275 -20.754 3.587 1.00 40.12 C ATOM 316 O HIS A 18 9.371 -21.197 3.217 1.00 71.35 O ATOM 317 CB HIS A 18 7.632 -22.116 5.733 1.00 62.40 C ATOM 318 CG HIS A 18 8.599 -21.241 6.483 1.00 1.32 C ATOM 319 ND1 HIS A 18 9.936 -21.535 6.574 1.00 63.34 N ATOM 320 CD2 HIS A 18 8.424 -20.076 7.148 1.00 32.42 C ATOM 321 CE1 HIS A 18 10.546 -20.595 7.256 1.00 74.42 C ATOM 322 NE2 HIS A 18 9.661 -19.687 7.618 1.00 44.41 N ATOM 0 H HIS A 18 5.892 -22.708 3.076 1.00 13.14 H new ATOM 0 HA HIS A 18 6.352 -21.019 4.441 1.00 42.32 H new ATOM 0 HB2 HIS A 18 6.724 -22.206 6.329 1.00 62.40 H new ATOM 0 HB3 HIS A 18 8.065 -23.114 5.659 1.00 62.40 H new ATOM 0 HD1 HIS A 18 10.386 -22.358 6.173 1.00 63.34 H new ATOM 0 HD2 HIS A 18 7.491 -19.549 7.285 1.00 32.42 H new ATOM 0 HE1 HIS A 18 11.601 -20.569 7.484 1.00 74.42 H new ATOM 331 N VAL A 19 7.914 -19.481 3.428 1.00 15.22 N ATOM 332 CA VAL A 19 8.821 -18.482 2.842 1.00 13.42 C ATOM 333 C VAL A 19 9.894 -18.105 3.951 1.00 72.44 C ATOM 334 O VAL A 19 9.509 -17.668 5.046 1.00 13.22 O ATOM 335 CB VAL A 19 7.956 -17.233 2.287 1.00 15.45 C ATOM 336 CG1 VAL A 19 6.974 -17.665 1.201 1.00 15.03 C ATOM 337 CG2 VAL A 19 7.163 -16.513 3.384 1.00 50.40 C ATOM 0 H VAL A 19 7.001 -19.113 3.695 1.00 15.22 H new ATOM 0 HA VAL A 19 9.367 -18.861 1.978 1.00 13.42 H new ATOM 0 HB VAL A 19 8.694 -16.543 1.878 1.00 15.45 H new ATOM 0 HG11 VAL A 19 6.411 -16.798 0.854 1.00 15.03 H new ATOM 0 HG12 VAL A 19 7.523 -18.100 0.366 1.00 15.03 H new ATOM 0 HG13 VAL A 19 6.285 -18.406 1.607 1.00 15.03 H new ATOM 0 HG21 VAL A 19 6.605 -15.686 2.946 1.00 50.40 H new ATOM 0 HG22 VAL A 19 6.469 -17.213 3.850 1.00 50.40 H new ATOM 0 HG23 VAL A 19 7.851 -16.128 4.137 1.00 50.40 H new ATOM 347 N SER A 20 11.238 -18.351 3.738 1.00 40.25 N ATOM 348 CA SER A 20 12.254 -17.997 4.751 1.00 41.31 C ATOM 349 C SER A 20 12.559 -16.476 4.669 1.00 13.02 C ATOM 350 O SER A 20 12.266 -15.886 3.634 1.00 14.20 O ATOM 351 CB SER A 20 13.513 -18.868 4.474 1.00 61.52 C ATOM 352 OG SER A 20 13.136 -20.105 3.890 1.00 24.24 O ATOM 0 H SER A 20 11.614 -18.781 2.893 1.00 40.25 H new ATOM 0 HA SER A 20 11.903 -18.196 5.764 1.00 41.31 H new ATOM 0 HB2 SER A 20 14.193 -18.336 3.809 1.00 61.52 H new ATOM 0 HB3 SER A 20 14.052 -19.046 5.404 1.00 61.52 H new ATOM 0 HG SER A 20 13.937 -20.643 3.719 1.00 24.24 H new ATOM 358 N SER A 21 13.088 -15.826 5.766 1.00 44.04 N ATOM 359 CA SER A 21 13.287 -14.359 5.818 1.00 12.31 C ATOM 360 C SER A 21 14.027 -13.725 4.606 1.00 10.03 C ATOM 361 O SER A 21 13.672 -12.621 4.197 1.00 12.42 O ATOM 362 CB SER A 21 13.985 -13.967 7.130 1.00 31.25 C ATOM 363 OG SER A 21 15.199 -14.685 7.332 1.00 32.33 O ATOM 0 H SER A 21 13.378 -16.310 6.616 1.00 44.04 H new ATOM 0 HA SER A 21 12.280 -13.944 5.768 1.00 12.31 H new ATOM 0 HB2 SER A 21 14.195 -12.897 7.122 1.00 31.25 H new ATOM 0 HB3 SER A 21 13.312 -14.153 7.967 1.00 31.25 H new ATOM 0 HG SER A 21 15.960 -14.076 7.231 1.00 32.33 H new ATOM 369 N ARG A 22 15.044 -14.409 4.046 1.00 50.45 N ATOM 370 CA ARG A 22 15.732 -13.891 2.831 1.00 12.51 C ATOM 371 C ARG A 22 14.855 -13.937 1.500 1.00 4.14 C ATOM 372 O ARG A 22 14.893 -12.957 0.703 1.00 44.30 O ATOM 373 CB ARG A 22 17.183 -14.509 2.638 1.00 21.11 C ATOM 374 CG ARG A 22 18.023 -14.789 3.930 1.00 64.24 C ATOM 375 CD ARG A 22 17.725 -16.149 4.602 1.00 23.43 C ATOM 376 NE ARG A 22 17.658 -16.064 6.074 1.00 20.14 N ATOM 377 CZ ARG A 22 18.543 -16.600 6.934 1.00 61.24 C ATOM 378 NH1 ARG A 22 19.624 -17.260 6.509 1.00 44.11 N ATOM 379 NH2 ARG A 22 18.302 -16.518 8.238 1.00 73.43 N ATOM 0 H ARG A 22 15.405 -15.296 4.397 1.00 50.45 H new ATOM 0 HA ARG A 22 15.869 -12.827 3.026 1.00 12.51 H new ATOM 0 HB2 ARG A 22 17.080 -15.447 2.093 1.00 21.11 H new ATOM 0 HB3 ARG A 22 17.756 -13.833 2.003 1.00 21.11 H new ATOM 0 HG2 ARG A 22 19.082 -14.747 3.676 1.00 64.24 H new ATOM 0 HG3 ARG A 22 17.836 -13.993 4.650 1.00 64.24 H new ATOM 0 HD2 ARG A 22 16.779 -16.536 4.223 1.00 23.43 H new ATOM 0 HD3 ARG A 22 18.498 -16.864 4.320 1.00 23.43 H new ATOM 0 HE ARG A 22 16.871 -15.554 6.475 1.00 20.14 H new ATOM 0 HH11 ARG A 22 19.795 -17.368 5.509 1.00 44.11 H new ATOM 0 HH12 ARG A 22 20.278 -17.656 7.184 1.00 44.11 H new ATOM 0 HH21 ARG A 22 17.457 -16.054 8.572 1.00 73.43 H new ATOM 0 HH22 ARG A 22 18.962 -16.919 8.905 1.00 73.43 H new ATOM 393 N ASP A 23 14.030 -15.007 1.250 1.00 32.21 N ATOM 394 CA ASP A 23 13.144 -15.051 0.075 1.00 50.35 C ATOM 395 C ASP A 23 11.964 -14.049 0.241 1.00 23.24 C ATOM 396 O ASP A 23 11.549 -13.456 -0.771 1.00 42.05 O ATOM 397 CB ASP A 23 12.607 -16.504 -0.206 1.00 64.31 C ATOM 398 CG ASP A 23 13.611 -17.584 0.168 1.00 43.43 C ATOM 399 OD1 ASP A 23 13.706 -17.919 1.366 1.00 71.43 O ATOM 400 OD2 ASP A 23 14.310 -18.093 -0.739 1.00 15.40 O ATOM 0 H ASP A 23 13.973 -15.831 1.848 1.00 32.21 H new ATOM 0 HA ASP A 23 13.736 -14.754 -0.790 1.00 50.35 H new ATOM 0 HB2 ASP A 23 11.685 -16.661 0.354 1.00 64.31 H new ATOM 0 HB3 ASP A 23 12.357 -16.596 -1.263 1.00 64.31 H new ATOM 405 N VAL A 24 11.464 -13.804 1.516 1.00 22.43 N ATOM 406 CA VAL A 24 10.369 -12.840 1.745 1.00 42.25 C ATOM 407 C VAL A 24 10.936 -11.417 1.635 1.00 30.22 C ATOM 408 O VAL A 24 10.264 -10.530 1.160 1.00 34.12 O ATOM 409 CB VAL A 24 9.552 -13.108 3.081 1.00 21.01 C ATOM 410 CG1 VAL A 24 10.388 -13.066 4.303 1.00 52.21 C ATOM 411 CG2 VAL A 24 8.380 -12.177 3.339 1.00 3.45 C ATOM 0 H VAL A 24 11.808 -14.260 2.361 1.00 22.43 H new ATOM 0 HA VAL A 24 9.615 -12.973 0.969 1.00 42.25 H new ATOM 0 HB VAL A 24 9.172 -14.112 2.890 1.00 21.01 H new ATOM 0 HG11 VAL A 24 9.765 -13.257 5.177 1.00 52.21 H new ATOM 0 HG12 VAL A 24 11.166 -13.827 4.238 1.00 52.21 H new ATOM 0 HG13 VAL A 24 10.849 -12.083 4.395 1.00 52.21 H new ATOM 0 HG21 VAL A 24 7.896 -12.452 4.276 1.00 3.45 H new ATOM 0 HG22 VAL A 24 8.739 -11.150 3.403 1.00 3.45 H new ATOM 0 HG23 VAL A 24 7.663 -12.260 2.523 1.00 3.45 H new ATOM 421 N GLU A 25 12.192 -11.203 2.054 1.00 52.23 N ATOM 422 CA GLU A 25 12.865 -9.934 1.750 1.00 3.42 C ATOM 423 C GLU A 25 13.008 -9.646 0.207 1.00 72.43 C ATOM 424 O GLU A 25 12.470 -8.612 -0.231 1.00 64.44 O ATOM 425 CB GLU A 25 14.186 -9.786 2.577 1.00 42.41 C ATOM 426 CG GLU A 25 15.540 -10.031 1.880 1.00 31.12 C ATOM 427 CD GLU A 25 16.693 -9.975 2.858 1.00 44.12 C ATOM 428 OE1 GLU A 25 17.148 -8.858 3.174 1.00 24.32 O ATOM 429 OE2 GLU A 25 17.139 -11.047 3.317 1.00 31.33 O ATOM 0 H GLU A 25 12.748 -11.871 2.588 1.00 52.23 H new ATOM 0 HA GLU A 25 12.211 -9.128 2.084 1.00 3.42 H new ATOM 0 HB2 GLU A 25 14.206 -8.776 2.987 1.00 42.41 H new ATOM 0 HB3 GLU A 25 14.123 -10.472 3.422 1.00 42.41 H new ATOM 0 HG2 GLU A 25 15.526 -11.005 1.390 1.00 31.12 H new ATOM 0 HG3 GLU A 25 15.688 -9.284 1.100 1.00 31.12 H new ATOM 436 N ASN A 26 13.625 -10.543 -0.644 1.00 44.23 N ATOM 437 CA ASN A 26 13.704 -10.228 -2.120 1.00 32.23 C ATOM 438 C ASN A 26 12.288 -10.188 -2.831 1.00 43.20 C ATOM 439 O ASN A 26 11.862 -9.075 -3.347 1.00 72.35 O ATOM 440 CB ASN A 26 14.663 -11.208 -2.909 1.00 5.23 C ATOM 441 CG ASN A 26 14.816 -10.823 -4.376 1.00 73.52 C ATOM 442 OD1 ASN A 26 14.895 -9.644 -4.723 1.00 64.21 O ATOM 443 ND2 ASN A 26 14.834 -11.820 -5.248 1.00 3.30 N ATOM 0 H ASN A 26 14.046 -11.427 -0.360 1.00 44.23 H new ATOM 0 HA ASN A 26 14.128 -9.225 -2.157 1.00 32.23 H new ATOM 0 HB2 ASN A 26 15.644 -11.211 -2.434 1.00 5.23 H new ATOM 0 HB3 ASN A 26 14.273 -12.224 -2.842 1.00 5.23 H new ATOM 0 HD21 ASN A 26 14.916 -11.624 -6.246 1.00 3.30 H new ATOM 0 HD22 ASN A 26 14.766 -12.784 -4.922 1.00 3.30 H new ATOM 450 N GLU A 27 11.501 -11.327 -2.790 1.00 60.15 N ATOM 451 CA GLU A 27 10.155 -11.337 -3.424 1.00 43.23 C ATOM 452 C GLU A 27 9.231 -10.232 -2.848 1.00 62.31 C ATOM 453 O GLU A 27 8.620 -9.524 -3.641 1.00 55.43 O ATOM 454 CB GLU A 27 9.428 -12.726 -3.338 1.00 43.43 C ATOM 455 CG GLU A 27 8.296 -12.999 -4.378 1.00 32.15 C ATOM 456 CD GLU A 27 7.377 -14.141 -3.958 1.00 14.20 C ATOM 457 OE1 GLU A 27 7.684 -15.305 -4.258 1.00 2.14 O ATOM 458 OE2 GLU A 27 6.336 -13.865 -3.326 1.00 41.25 O ATOM 0 H GLU A 27 11.773 -12.203 -2.343 1.00 60.15 H new ATOM 0 HA GLU A 27 10.345 -11.132 -4.478 1.00 43.23 H new ATOM 0 HB2 GLU A 27 10.179 -13.509 -3.442 1.00 43.43 H new ATOM 0 HB3 GLU A 27 9.002 -12.824 -2.340 1.00 43.43 H new ATOM 0 HG2 GLU A 27 7.705 -12.093 -4.513 1.00 32.15 H new ATOM 0 HG3 GLU A 27 8.744 -13.234 -5.344 1.00 32.15 H new ATOM 465 N PHE A 28 9.162 -10.023 -1.501 1.00 61.31 N ATOM 466 CA PHE A 28 8.222 -9.025 -0.974 1.00 33.31 C ATOM 467 C PHE A 28 8.729 -7.545 -1.086 1.00 65.34 C ATOM 468 O PHE A 28 7.894 -6.648 -0.914 1.00 11.31 O ATOM 469 CB PHE A 28 7.676 -9.381 0.442 1.00 13.12 C ATOM 470 CG PHE A 28 6.294 -10.027 0.483 1.00 54.51 C ATOM 471 CD1 PHE A 28 6.072 -11.398 0.219 1.00 54.43 C ATOM 472 CD2 PHE A 28 5.194 -9.239 0.792 1.00 30.11 C ATOM 473 CE1 PHE A 28 4.784 -11.929 0.263 1.00 61.23 C ATOM 474 CE2 PHE A 28 3.914 -9.778 0.846 1.00 42.20 C ATOM 475 CZ PHE A 28 3.717 -11.118 0.582 1.00 2.13 C ATOM 0 H PHE A 28 9.721 -10.512 -0.802 1.00 61.31 H new ATOM 0 HA PHE A 28 7.363 -9.075 -1.644 1.00 33.31 H new ATOM 0 HB2 PHE A 28 8.385 -10.055 0.924 1.00 13.12 H new ATOM 0 HB3 PHE A 28 7.647 -8.469 1.038 1.00 13.12 H new ATOM 0 HD1 PHE A 28 6.908 -12.040 -0.019 1.00 54.43 H new ATOM 0 HD2 PHE A 28 5.335 -8.188 0.994 1.00 30.11 H new ATOM 0 HE1 PHE A 28 4.623 -12.975 0.047 1.00 61.23 H new ATOM 0 HE2 PHE A 28 3.073 -9.148 1.095 1.00 42.20 H new ATOM 0 HZ PHE A 28 2.721 -11.533 0.626 1.00 2.13 H new ATOM 485 N ARG A 29 10.071 -7.238 -1.303 1.00 24.21 N ATOM 486 CA ARG A 29 10.454 -5.786 -1.623 1.00 50.04 C ATOM 487 C ARG A 29 9.770 -5.311 -2.898 1.00 60.32 C ATOM 488 O ARG A 29 9.512 -4.109 -3.006 1.00 12.00 O ATOM 489 CB ARG A 29 11.956 -5.333 -1.824 1.00 22.34 C ATOM 490 CG ARG A 29 12.990 -5.568 -0.685 1.00 2.32 C ATOM 491 CD ARG A 29 14.434 -5.262 -1.138 1.00 11.34 C ATOM 492 NE ARG A 29 14.596 -3.858 -1.547 1.00 14.32 N ATOM 493 CZ ARG A 29 15.511 -3.418 -2.424 1.00 51.42 C ATOM 494 NH1 ARG A 29 16.352 -4.272 -2.999 1.00 62.14 N ATOM 495 NH2 ARG A 29 15.598 -2.116 -2.690 1.00 64.53 N ATOM 0 H ARG A 29 10.843 -7.904 -1.269 1.00 24.21 H new ATOM 0 HA ARG A 29 10.139 -5.350 -0.675 1.00 50.04 H new ATOM 0 HB2 ARG A 29 12.332 -5.837 -2.714 1.00 22.34 H new ATOM 0 HB3 ARG A 29 11.948 -4.265 -2.042 1.00 22.34 H new ATOM 0 HG2 ARG A 29 12.737 -4.939 0.169 1.00 2.32 H new ATOM 0 HG3 ARG A 29 12.928 -6.603 -0.348 1.00 2.32 H new ATOM 0 HD2 ARG A 29 15.124 -5.485 -0.324 1.00 11.34 H new ATOM 0 HD3 ARG A 29 14.700 -5.915 -1.969 1.00 11.34 H new ATOM 0 HE ARG A 29 13.967 -3.169 -1.134 1.00 14.32 H new ATOM 0 HH11 ARG A 29 16.303 -5.266 -2.774 1.00 62.14 H new ATOM 0 HH12 ARG A 29 17.046 -3.934 -3.665 1.00 62.14 H new ATOM 0 HH21 ARG A 29 14.971 -1.458 -2.228 1.00 64.53 H new ATOM 0 HH22 ARG A 29 16.292 -1.777 -3.356 1.00 64.53 H new ATOM 509 N LYS A 30 9.514 -6.195 -3.897 1.00 52.14 N ATOM 510 CA LYS A 30 8.733 -5.702 -5.090 1.00 44.34 C ATOM 511 C LYS A 30 7.324 -5.137 -4.739 1.00 72.21 C ATOM 512 O LYS A 30 6.853 -4.231 -5.432 1.00 60.03 O ATOM 513 CB LYS A 30 8.765 -6.736 -6.309 1.00 33.44 C ATOM 514 CG LYS A 30 7.466 -7.177 -7.080 1.00 52.54 C ATOM 515 CD LYS A 30 6.733 -6.063 -7.848 1.00 21.42 C ATOM 516 CE LYS A 30 5.273 -6.429 -8.138 1.00 31.30 C ATOM 517 NZ LYS A 30 5.140 -7.441 -9.221 1.00 5.53 N ATOM 0 H LYS A 30 9.802 -7.173 -3.919 1.00 52.14 H new ATOM 0 HA LYS A 30 9.261 -4.821 -5.455 1.00 44.34 H new ATOM 0 HB2 LYS A 30 9.443 -6.319 -7.054 1.00 33.44 H new ATOM 0 HB3 LYS A 30 9.228 -7.648 -5.932 1.00 33.44 H new ATOM 0 HG2 LYS A 30 7.734 -7.963 -7.786 1.00 52.54 H new ATOM 0 HG3 LYS A 30 6.772 -7.616 -6.363 1.00 52.54 H new ATOM 0 HD2 LYS A 30 6.767 -5.140 -7.268 1.00 21.42 H new ATOM 0 HD3 LYS A 30 7.251 -5.869 -8.787 1.00 21.42 H new ATOM 0 HE2 LYS A 30 4.811 -6.813 -7.228 1.00 31.30 H new ATOM 0 HE3 LYS A 30 4.726 -5.529 -8.418 1.00 31.30 H new ATOM 0 HZ1 LYS A 30 4.134 -7.652 -9.377 1.00 5.53 H new ATOM 0 HZ2 LYS A 30 5.555 -7.067 -10.098 1.00 5.53 H new ATOM 0 HZ3 LYS A 30 5.638 -8.312 -8.946 1.00 5.53 H new ATOM 531 N TYR A 31 6.752 -5.501 -3.587 1.00 73.54 N ATOM 532 CA TYR A 31 5.341 -5.266 -3.340 1.00 43.31 C ATOM 533 C TYR A 31 5.123 -3.841 -2.805 1.00 43.54 C ATOM 534 O TYR A 31 4.063 -3.256 -3.000 1.00 63.22 O ATOM 535 CB TYR A 31 4.790 -6.282 -2.336 1.00 74.43 C ATOM 536 CG TYR A 31 4.670 -7.744 -2.755 1.00 5.31 C ATOM 537 CD1 TYR A 31 5.659 -8.416 -3.473 1.00 54.52 C ATOM 538 CD2 TYR A 31 3.574 -8.481 -2.336 1.00 1.43 C ATOM 539 CE1 TYR A 31 5.545 -9.749 -3.750 1.00 4.31 C ATOM 540 CE2 TYR A 31 3.478 -9.829 -2.599 1.00 53.22 C ATOM 541 CZ TYR A 31 4.479 -10.444 -3.306 1.00 14.31 C ATOM 542 OH TYR A 31 4.437 -11.761 -3.547 1.00 43.44 O ATOM 0 H TYR A 31 7.247 -5.956 -2.820 1.00 73.54 H new ATOM 0 HA TYR A 31 4.808 -5.381 -4.284 1.00 43.31 H new ATOM 0 HB2 TYR A 31 5.422 -6.245 -1.449 1.00 74.43 H new ATOM 0 HB3 TYR A 31 3.799 -5.943 -2.035 1.00 74.43 H new ATOM 0 HD1 TYR A 31 6.528 -7.874 -3.815 1.00 54.52 H new ATOM 0 HD2 TYR A 31 2.780 -7.989 -1.793 1.00 1.43 H new ATOM 0 HE1 TYR A 31 6.311 -10.247 -4.326 1.00 4.31 H new ATOM 0 HE2 TYR A 31 2.625 -10.395 -2.253 1.00 53.22 H new ATOM 0 HH TYR A 31 5.306 -12.161 -3.332 1.00 43.44 H new ATOM 552 N GLY A 32 6.134 -3.274 -2.131 1.00 32.43 N ATOM 553 CA GLY A 32 6.051 -1.903 -1.709 1.00 3.32 C ATOM 554 C GLY A 32 7.219 -1.459 -0.871 1.00 33.40 C ATOM 555 O GLY A 32 7.034 -0.619 0.000 1.00 33.23 O ATOM 0 H GLY A 32 7.000 -3.751 -1.878 1.00 32.43 H new ATOM 0 HA2 GLY A 32 5.983 -1.264 -2.589 1.00 3.32 H new ATOM 0 HA3 GLY A 32 5.132 -1.762 -1.140 1.00 3.32 H new ATOM 559 N ASN A 33 8.418 -2.024 -1.162 1.00 63.01 N ATOM 560 CA ASN A 33 9.681 -1.711 -0.466 1.00 14.02 C ATOM 561 C ASN A 33 9.546 -1.973 1.054 1.00 0.40 C ATOM 562 O ASN A 33 9.266 -1.069 1.844 1.00 53.03 O ATOM 563 CB ASN A 33 10.158 -0.268 -0.758 1.00 51.24 C ATOM 564 CG ASN A 33 11.672 -0.141 -0.803 1.00 42.51 C ATOM 565 OD1 ASN A 33 12.391 -1.067 -1.206 1.00 3.00 O ATOM 566 ND2 ASN A 33 12.163 1.011 -0.375 1.00 23.24 N ATOM 0 H ASN A 33 8.531 -2.720 -1.899 1.00 63.01 H new ATOM 0 HA ASN A 33 10.450 -2.378 -0.855 1.00 14.02 H new ATOM 0 HB2 ASN A 33 9.743 0.060 -1.711 1.00 51.24 H new ATOM 0 HB3 ASN A 33 9.765 0.401 0.008 1.00 51.24 H new ATOM 0 HD21 ASN A 33 13.171 1.164 -0.368 1.00 23.24 H new ATOM 0 HD22 ASN A 33 11.533 1.745 -0.052 1.00 23.24 H new ATOM 573 N ILE A 34 9.679 -3.243 1.417 1.00 21.12 N ATOM 574 CA ILE A 34 9.479 -3.697 2.834 1.00 61.13 C ATOM 575 C ILE A 34 10.586 -3.184 3.820 1.00 14.31 C ATOM 576 O ILE A 34 11.763 -3.089 3.448 1.00 64.00 O ATOM 577 CB ILE A 34 9.271 -5.283 2.975 1.00 33.32 C ATOM 578 CG1 ILE A 34 9.880 -5.917 4.273 1.00 22.35 C ATOM 579 CG2 ILE A 34 9.799 -6.013 1.771 1.00 41.20 C ATOM 580 CD1 ILE A 34 11.342 -6.395 4.179 1.00 64.25 C ATOM 0 H ILE A 34 9.923 -3.993 0.770 1.00 21.12 H new ATOM 0 HA ILE A 34 8.544 -3.225 3.134 1.00 61.13 H new ATOM 0 HB ILE A 34 8.190 -5.405 3.050 1.00 33.32 H new ATOM 0 HG12 ILE A 34 9.811 -5.184 5.077 1.00 22.35 H new ATOM 0 HG13 ILE A 34 9.261 -6.766 4.562 1.00 22.35 H new ATOM 0 HG21 ILE A 34 9.643 -7.084 1.898 1.00 41.20 H new ATOM 0 HG22 ILE A 34 9.273 -5.673 0.879 1.00 41.20 H new ATOM 0 HG23 ILE A 34 10.865 -5.812 1.662 1.00 41.20 H new ATOM 0 HD11 ILE A 34 11.650 -6.814 5.137 1.00 64.25 H new ATOM 0 HD12 ILE A 34 11.426 -7.158 3.405 1.00 64.25 H new ATOM 0 HD13 ILE A 34 11.985 -5.552 3.928 1.00 64.25 H new ATOM 592 N LEU A 35 10.176 -2.804 5.076 1.00 41.24 N ATOM 593 CA LEU A 35 11.139 -2.374 6.122 1.00 71.03 C ATOM 594 C LEU A 35 11.278 -3.464 7.216 1.00 4.41 C ATOM 595 O LEU A 35 12.318 -3.562 7.868 1.00 42.22 O ATOM 596 CB LEU A 35 10.839 -0.977 6.818 1.00 21.14 C ATOM 597 CG LEU A 35 9.888 0.067 6.143 1.00 30.25 C ATOM 598 CD1 LEU A 35 10.279 0.417 4.708 1.00 32.53 C ATOM 599 CD2 LEU A 35 8.440 -0.387 6.228 1.00 43.41 C ATOM 0 H LEU A 35 9.201 -2.790 5.374 1.00 41.24 H new ATOM 0 HA LEU A 35 12.071 -2.233 5.574 1.00 71.03 H new ATOM 0 HB2 LEU A 35 10.429 -1.192 7.805 1.00 21.14 H new ATOM 0 HB3 LEU A 35 11.799 -0.483 6.972 1.00 21.14 H new ATOM 0 HG LEU A 35 10.000 0.991 6.710 1.00 30.25 H new ATOM 0 HD11 LEU A 35 9.575 1.145 4.306 1.00 32.53 H new ATOM 0 HD12 LEU A 35 11.284 0.840 4.697 1.00 32.53 H new ATOM 0 HD13 LEU A 35 10.258 -0.484 4.095 1.00 32.53 H new ATOM 0 HD21 LEU A 35 7.798 0.354 5.752 1.00 43.41 H new ATOM 0 HD22 LEU A 35 8.328 -1.344 5.719 1.00 43.41 H new ATOM 0 HD23 LEU A 35 8.154 -0.497 7.274 1.00 43.41 H new ATOM 611 N LYS A 36 10.237 -4.310 7.392 1.00 34.24 N ATOM 612 CA LYS A 36 10.135 -5.224 8.556 1.00 43.24 C ATOM 613 C LYS A 36 9.583 -6.600 8.071 1.00 62.21 C ATOM 614 O LYS A 36 8.583 -6.629 7.349 1.00 54.34 O ATOM 615 CB LYS A 36 9.176 -4.570 9.577 1.00 73.40 C ATOM 616 CG LYS A 36 9.320 -4.995 11.043 1.00 63.41 C ATOM 617 CD LYS A 36 8.389 -6.153 11.401 1.00 33.54 C ATOM 618 CE LYS A 36 7.835 -6.040 12.814 1.00 4.43 C ATOM 619 NZ LYS A 36 6.935 -4.862 12.956 1.00 72.31 N ATOM 0 H LYS A 36 9.454 -4.379 6.742 1.00 34.24 H new ATOM 0 HA LYS A 36 11.106 -5.392 9.022 1.00 43.24 H new ATOM 0 HB2 LYS A 36 9.311 -3.490 9.523 1.00 73.40 H new ATOM 0 HB3 LYS A 36 8.154 -4.780 9.263 1.00 73.40 H new ATOM 0 HG2 LYS A 36 10.352 -5.288 11.235 1.00 63.41 H new ATOM 0 HG3 LYS A 36 9.104 -4.144 11.689 1.00 63.41 H new ATOM 0 HD2 LYS A 36 7.562 -6.183 10.691 1.00 33.54 H new ATOM 0 HD3 LYS A 36 8.930 -7.094 11.300 1.00 33.54 H new ATOM 0 HE2 LYS A 36 7.288 -6.949 13.065 1.00 4.43 H new ATOM 0 HE3 LYS A 36 8.659 -5.957 13.523 1.00 4.43 H new ATOM 0 HZ1 LYS A 36 6.322 -4.991 13.786 1.00 72.31 H new ATOM 0 HZ2 LYS A 36 7.506 -4.001 13.078 1.00 72.31 H new ATOM 0 HZ3 LYS A 36 6.347 -4.769 12.103 1.00 72.31 H new ATOM 633 N CYS A 37 10.228 -7.726 8.447 1.00 22.04 N ATOM 634 CA CYS A 37 9.844 -9.070 7.952 1.00 42.43 C ATOM 635 C CYS A 37 9.969 -10.057 9.072 1.00 0.34 C ATOM 636 O CYS A 37 11.082 -10.325 9.542 1.00 24.25 O ATOM 637 CB CYS A 37 10.738 -9.513 6.784 1.00 42.02 C ATOM 638 SG CYS A 37 9.929 -9.449 5.171 1.00 23.34 S ATOM 0 H CYS A 37 11.018 -7.733 9.092 1.00 22.04 H new ATOM 0 HA CYS A 37 8.815 -9.025 7.595 1.00 42.43 H new ATOM 0 HB2 CYS A 37 11.625 -8.880 6.759 1.00 42.02 H new ATOM 0 HB3 CYS A 37 11.079 -10.532 6.967 1.00 42.02 H new ATOM 0 HG CYS A 37 10.762 -9.838 4.252 1.00 23.34 H new ATOM 644 N ASP A 38 8.849 -10.565 9.543 1.00 34.40 N ATOM 645 CA ASP A 38 8.943 -11.507 10.686 1.00 24.43 C ATOM 646 C ASP A 38 8.186 -12.823 10.458 1.00 22.22 C ATOM 647 O ASP A 38 7.102 -12.834 9.874 1.00 22.05 O ATOM 648 CB ASP A 38 8.453 -10.812 11.954 1.00 51.41 C ATOM 649 CG ASP A 38 8.958 -11.455 13.237 1.00 60.42 C ATOM 650 OD1 ASP A 38 10.182 -11.664 13.363 1.00 53.01 O ATOM 651 OD2 ASP A 38 8.126 -11.741 14.121 1.00 0.22 O ATOM 0 H ASP A 38 7.910 -10.371 9.194 1.00 34.40 H new ATOM 0 HA ASP A 38 9.992 -11.785 10.791 1.00 24.43 H new ATOM 0 HB2 ASP A 38 8.769 -9.769 11.932 1.00 51.41 H new ATOM 0 HB3 ASP A 38 7.363 -10.814 11.961 1.00 51.41 H new ATOM 656 N VAL A 39 8.764 -13.930 10.957 1.00 23.24 N ATOM 657 CA VAL A 39 8.127 -15.249 10.897 1.00 63.40 C ATOM 658 C VAL A 39 7.851 -15.726 12.322 1.00 4.20 C ATOM 659 O VAL A 39 8.789 -15.995 13.079 1.00 34.42 O ATOM 660 CB VAL A 39 9.002 -16.376 10.218 1.00 34.04 C ATOM 661 CG1 VAL A 39 8.160 -17.592 9.906 1.00 75.33 C ATOM 662 CG2 VAL A 39 9.747 -15.970 8.952 1.00 45.10 C ATOM 0 H VAL A 39 9.678 -13.932 11.409 1.00 23.24 H new ATOM 0 HA VAL A 39 7.230 -15.109 10.293 1.00 63.40 H new ATOM 0 HB VAL A 39 9.766 -16.591 10.965 1.00 34.04 H new ATOM 0 HG11 VAL A 39 8.782 -18.355 9.439 1.00 75.33 H new ATOM 0 HG12 VAL A 39 7.734 -17.986 10.829 1.00 75.33 H new ATOM 0 HG13 VAL A 39 7.356 -17.313 9.225 1.00 75.33 H new ATOM 0 HG21 VAL A 39 10.313 -16.821 8.574 1.00 45.10 H new ATOM 0 HG22 VAL A 39 9.031 -15.646 8.197 1.00 45.10 H new ATOM 0 HG23 VAL A 39 10.430 -15.152 9.179 1.00 45.10 H new ATOM 672 N LYS A 40 6.580 -15.864 12.685 1.00 21.11 N ATOM 673 CA LYS A 40 6.224 -16.284 14.034 1.00 43.35 C ATOM 674 C LYS A 40 5.708 -17.747 14.005 1.00 11.14 C ATOM 675 O LYS A 40 4.870 -18.062 13.153 1.00 20.33 O ATOM 676 CB LYS A 40 5.157 -15.265 14.542 1.00 74.20 C ATOM 677 CG LYS A 40 5.512 -13.803 14.244 1.00 74.15 C ATOM 678 CD LYS A 40 4.993 -12.870 15.324 1.00 41.30 C ATOM 679 CE LYS A 40 4.671 -11.486 14.784 1.00 11.10 C ATOM 680 NZ LYS A 40 4.306 -10.553 15.878 1.00 55.33 N ATOM 0 H LYS A 40 5.785 -15.693 12.069 1.00 21.11 H new ATOM 0 HA LYS A 40 7.074 -16.282 14.716 1.00 43.35 H new ATOM 0 HB2 LYS A 40 4.197 -15.498 14.082 1.00 74.20 H new ATOM 0 HB3 LYS A 40 5.033 -15.388 15.618 1.00 74.20 H new ATOM 0 HG2 LYS A 40 6.594 -13.700 14.163 1.00 74.15 H new ATOM 0 HG3 LYS A 40 5.091 -13.515 13.281 1.00 74.15 H new ATOM 0 HD2 LYS A 40 4.098 -13.300 15.773 1.00 41.30 H new ATOM 0 HD3 LYS A 40 5.737 -12.785 16.116 1.00 41.30 H new ATOM 0 HE2 LYS A 40 5.532 -11.095 14.242 1.00 11.10 H new ATOM 0 HE3 LYS A 40 3.849 -11.553 14.071 1.00 11.10 H new ATOM 0 HZ1 LYS A 40 4.092 -9.617 15.479 1.00 55.33 H new ATOM 0 HZ2 LYS A 40 3.470 -10.916 16.379 1.00 55.33 H new ATOM 0 HZ3 LYS A 40 5.100 -10.472 16.544 1.00 55.33 H new ATOM 694 N LYS A 41 6.210 -18.684 14.883 1.00 32.35 N ATOM 695 CA LYS A 41 5.781 -20.084 14.720 1.00 10.24 C ATOM 696 C LYS A 41 4.798 -20.514 15.788 1.00 43.54 C ATOM 697 O LYS A 41 5.070 -20.322 16.977 1.00 65.35 O ATOM 698 CB LYS A 41 6.984 -21.095 14.671 1.00 51.23 C ATOM 699 CG LYS A 41 6.875 -22.230 13.638 1.00 21.35 C ATOM 700 CD LYS A 41 6.220 -21.779 12.345 1.00 22.42 C ATOM 701 CE LYS A 41 6.919 -20.581 11.718 1.00 4.23 C ATOM 702 NZ LYS A 41 8.213 -20.946 11.095 1.00 24.34 N ATOM 0 H LYS A 41 6.860 -18.499 15.647 1.00 32.35 H new ATOM 0 HA LYS A 41 5.279 -20.113 13.753 1.00 10.24 H new ATOM 0 HB2 LYS A 41 7.896 -20.533 14.468 1.00 51.23 H new ATOM 0 HB3 LYS A 41 7.098 -21.541 15.659 1.00 51.23 H new ATOM 0 HG2 LYS A 41 7.871 -22.616 13.421 1.00 21.35 H new ATOM 0 HG3 LYS A 41 6.300 -23.052 14.065 1.00 21.35 H new ATOM 0 HD2 LYS A 41 6.219 -22.606 11.635 1.00 22.42 H new ATOM 0 HD3 LYS A 41 5.178 -21.525 12.540 1.00 22.42 H new ATOM 0 HE2 LYS A 41 6.268 -20.137 10.965 1.00 4.23 H new ATOM 0 HE3 LYS A 41 7.087 -19.821 12.481 1.00 4.23 H new ATOM 0 HZ1 LYS A 41 8.412 -20.301 10.304 1.00 24.34 H new ATOM 0 HZ2 LYS A 41 8.972 -20.871 11.802 1.00 24.34 H new ATOM 0 HZ3 LYS A 41 8.165 -21.923 10.741 1.00 24.34 H new ATOM 716 N THR A 42 3.643 -21.080 15.382 1.00 22.35 N ATOM 717 CA THR A 42 2.785 -21.688 16.354 1.00 11.51 C ATOM 718 C THR A 42 3.120 -23.192 16.535 1.00 12.05 C ATOM 719 O THR A 42 3.755 -23.806 15.669 1.00 51.44 O ATOM 720 CB THR A 42 1.256 -21.464 16.060 1.00 32.05 C ATOM 721 OG1 THR A 42 0.515 -21.558 17.285 1.00 15.13 O ATOM 722 CG2 THR A 42 0.654 -22.465 15.054 1.00 24.34 C ATOM 0 H THR A 42 3.313 -21.117 14.418 1.00 22.35 H new ATOM 0 HA THR A 42 2.983 -21.181 17.298 1.00 11.51 H new ATOM 0 HB THR A 42 1.181 -20.473 15.612 1.00 32.05 H new ATOM 0 HG1 THR A 42 -0.438 -21.417 17.103 1.00 15.13 H new ATOM 0 HG21 THR A 42 -0.403 -22.242 14.907 1.00 24.34 H new ATOM 0 HG22 THR A 42 1.178 -22.384 14.102 1.00 24.34 H new ATOM 0 HG23 THR A 42 0.760 -23.478 15.441 1.00 24.34 H new ATOM 730 N VAL A 43 2.694 -23.764 17.677 1.00 53.43 N ATOM 731 CA VAL A 43 2.928 -25.191 18.022 1.00 63.43 C ATOM 732 C VAL A 43 1.981 -26.155 17.239 1.00 12.43 C ATOM 733 O VAL A 43 2.197 -27.368 17.225 1.00 5.44 O ATOM 734 CB VAL A 43 2.816 -25.464 19.583 1.00 54.54 C ATOM 735 CG1 VAL A 43 3.605 -26.701 19.989 1.00 73.24 C ATOM 736 CG2 VAL A 43 3.262 -24.267 20.439 1.00 23.53 C ATOM 0 H VAL A 43 2.176 -23.254 18.392 1.00 53.43 H new ATOM 0 HA VAL A 43 3.953 -25.401 17.716 1.00 63.43 H new ATOM 0 HB VAL A 43 1.756 -25.630 19.775 1.00 54.54 H new ATOM 0 HG11 VAL A 43 3.507 -26.859 21.063 1.00 73.24 H new ATOM 0 HG12 VAL A 43 3.218 -27.570 19.458 1.00 73.24 H new ATOM 0 HG13 VAL A 43 4.656 -26.561 19.737 1.00 73.24 H new ATOM 0 HG21 VAL A 43 3.161 -24.517 21.495 1.00 23.53 H new ATOM 0 HG22 VAL A 43 4.303 -24.031 20.220 1.00 23.53 H new ATOM 0 HG23 VAL A 43 2.638 -23.403 20.210 1.00 23.53 H new ATOM 746 N SER A 44 0.967 -25.603 16.538 1.00 12.52 N ATOM 747 CA SER A 44 -0.031 -26.409 15.811 1.00 73.45 C ATOM 748 C SER A 44 0.496 -26.830 14.409 1.00 24.01 C ATOM 749 O SER A 44 -0.253 -27.385 13.600 1.00 24.44 O ATOM 750 CB SER A 44 -1.356 -25.598 15.671 1.00 4.23 C ATOM 751 OG SER A 44 -1.737 -25.012 16.913 1.00 44.33 O ATOM 0 H SER A 44 0.820 -24.597 16.462 1.00 12.52 H new ATOM 0 HA SER A 44 -0.221 -27.319 16.380 1.00 73.45 H new ATOM 0 HB2 SER A 44 -1.230 -24.817 14.921 1.00 4.23 H new ATOM 0 HB3 SER A 44 -2.151 -26.254 15.317 1.00 4.23 H new ATOM 0 HG SER A 44 -2.569 -24.508 16.795 1.00 44.33 H new ATOM 757 N GLY A 45 1.791 -26.557 14.138 1.00 14.31 N ATOM 758 CA GLY A 45 2.418 -26.901 12.856 1.00 41.20 C ATOM 759 C GLY A 45 2.177 -25.905 11.712 1.00 53.24 C ATOM 760 O GLY A 45 2.738 -26.076 10.629 1.00 20.03 O ATOM 0 H GLY A 45 2.419 -26.097 14.797 1.00 14.31 H new ATOM 0 HA2 GLY A 45 3.493 -26.996 13.011 1.00 41.20 H new ATOM 0 HA3 GLY A 45 2.053 -27.880 12.545 1.00 41.20 H new ATOM 764 N ALA A 46 1.356 -24.875 11.939 1.00 34.02 N ATOM 765 CA ALA A 46 1.132 -23.834 10.934 1.00 21.11 C ATOM 766 C ALA A 46 2.196 -22.700 11.065 1.00 45.32 C ATOM 767 O ALA A 46 2.507 -22.252 12.173 1.00 63.44 O ATOM 768 CB ALA A 46 -0.319 -23.295 11.010 1.00 62.45 C ATOM 0 H ALA A 46 0.838 -24.741 12.807 1.00 34.02 H new ATOM 0 HA ALA A 46 1.255 -24.273 9.944 1.00 21.11 H new ATOM 0 HB1 ALA A 46 -0.460 -22.523 10.254 1.00 62.45 H new ATOM 0 HB2 ALA A 46 -1.020 -24.110 10.832 1.00 62.45 H new ATOM 0 HB3 ALA A 46 -0.499 -22.872 11.998 1.00 62.45 H new ATOM 774 N ALA A 47 2.770 -22.266 9.926 1.00 55.15 N ATOM 775 CA ALA A 47 3.732 -21.146 9.880 1.00 64.54 C ATOM 776 C ALA A 47 2.989 -19.930 9.328 1.00 0.33 C ATOM 777 O ALA A 47 2.104 -20.103 8.485 1.00 43.43 O ATOM 778 CB ALA A 47 4.955 -21.476 8.978 1.00 71.45 C ATOM 0 H ALA A 47 2.581 -22.681 9.013 1.00 55.15 H new ATOM 0 HA ALA A 47 4.118 -20.954 10.881 1.00 64.54 H new ATOM 0 HB1 ALA A 47 5.640 -20.628 8.969 1.00 71.45 H new ATOM 0 HB2 ALA A 47 5.469 -22.354 9.369 1.00 71.45 H new ATOM 0 HB3 ALA A 47 4.614 -21.677 7.962 1.00 71.45 H new ATOM 784 N PHE A 48 3.295 -18.708 9.793 1.00 41.53 N ATOM 785 CA PHE A 48 2.671 -17.515 9.206 1.00 24.51 C ATOM 786 C PHE A 48 3.762 -16.483 8.927 1.00 31.14 C ATOM 787 O PHE A 48 4.772 -16.463 9.642 1.00 33.42 O ATOM 788 CB PHE A 48 1.666 -16.861 10.200 1.00 1.13 C ATOM 789 CG PHE A 48 0.930 -17.829 11.058 1.00 10.34 C ATOM 790 CD1 PHE A 48 -0.167 -18.508 10.583 1.00 45.30 C ATOM 791 CD2 PHE A 48 1.368 -18.071 12.335 1.00 30.10 C ATOM 792 CE1 PHE A 48 -0.820 -19.412 11.374 1.00 0.23 C ATOM 793 CE2 PHE A 48 0.733 -18.966 13.135 1.00 3.13 C ATOM 794 CZ PHE A 48 -0.370 -19.653 12.663 1.00 34.54 C ATOM 0 H PHE A 48 3.951 -18.524 10.552 1.00 41.53 H new ATOM 0 HA PHE A 48 2.147 -17.816 8.299 1.00 24.51 H new ATOM 0 HB2 PHE A 48 2.208 -16.166 10.841 1.00 1.13 H new ATOM 0 HB3 PHE A 48 0.943 -16.274 9.633 1.00 1.13 H new ATOM 0 HD1 PHE A 48 -0.516 -18.326 9.577 1.00 45.30 H new ATOM 0 HD2 PHE A 48 2.231 -17.542 12.710 1.00 30.10 H new ATOM 0 HE1 PHE A 48 -1.684 -19.937 10.996 1.00 0.23 H new ATOM 0 HE2 PHE A 48 1.089 -19.141 14.139 1.00 3.13 H new ATOM 0 HZ PHE A 48 -0.876 -20.370 13.292 1.00 34.54 H new ATOM 804 N ALA A 49 3.593 -15.634 7.900 1.00 41.34 N ATOM 805 CA ALA A 49 4.513 -14.504 7.752 1.00 0.44 C ATOM 806 C ALA A 49 3.779 -13.170 7.864 1.00 13.23 C ATOM 807 O ALA A 49 2.658 -13.011 7.350 1.00 2.31 O ATOM 808 CB ALA A 49 5.366 -14.616 6.472 1.00 41.24 C ATOM 0 H ALA A 49 2.862 -15.704 7.192 1.00 41.34 H new ATOM 0 HA ALA A 49 5.217 -14.542 8.583 1.00 0.44 H new ATOM 0 HB1 ALA A 49 6.033 -13.757 6.403 1.00 41.24 H new ATOM 0 HB2 ALA A 49 5.956 -15.532 6.507 1.00 41.24 H new ATOM 0 HB3 ALA A 49 4.712 -14.638 5.600 1.00 41.24 H new ATOM 814 N PHE A 50 4.426 -12.250 8.612 1.00 71.12 N ATOM 815 CA PHE A 50 3.993 -10.898 8.820 1.00 1.13 C ATOM 816 C PHE A 50 4.916 -9.970 7.981 1.00 12.23 C ATOM 817 O PHE A 50 6.159 -9.969 8.233 1.00 41.51 O ATOM 818 CB PHE A 50 4.194 -10.622 10.327 1.00 23.50 C ATOM 819 CG PHE A 50 3.275 -9.588 10.926 1.00 11.14 C ATOM 820 CD1 PHE A 50 1.954 -9.910 11.192 1.00 1.44 C ATOM 821 CD2 PHE A 50 3.730 -8.318 11.260 1.00 72.04 C ATOM 822 CE1 PHE A 50 1.101 -8.993 11.774 1.00 35.51 C ATOM 823 CE2 PHE A 50 2.879 -7.395 11.841 1.00 61.20 C ATOM 824 CZ PHE A 50 1.564 -7.733 12.100 1.00 25.04 C ATOM 0 H PHE A 50 5.298 -12.463 9.097 1.00 71.12 H new ATOM 0 HA PHE A 50 2.957 -10.730 8.526 1.00 1.13 H new ATOM 0 HB2 PHE A 50 4.063 -11.558 10.870 1.00 23.50 H new ATOM 0 HB3 PHE A 50 5.224 -10.303 10.486 1.00 23.50 H new ATOM 0 HD1 PHE A 50 1.586 -10.894 10.940 1.00 1.44 H new ATOM 0 HD2 PHE A 50 4.758 -8.049 11.064 1.00 72.04 H new ATOM 0 HE1 PHE A 50 0.074 -9.260 11.974 1.00 35.51 H new ATOM 0 HE2 PHE A 50 3.242 -6.410 12.092 1.00 61.20 H new ATOM 0 HZ PHE A 50 0.900 -7.014 12.556 1.00 25.04 H new ATOM 834 N ILE A 51 4.364 -9.193 6.992 1.00 24.24 N ATOM 835 CA ILE A 51 5.275 -8.389 6.097 1.00 14.15 C ATOM 836 C ILE A 51 4.895 -6.914 6.077 1.00 33.44 C ATOM 837 O ILE A 51 3.924 -6.528 5.440 1.00 33.20 O ATOM 838 CB ILE A 51 5.362 -8.796 4.569 1.00 33.22 C ATOM 839 CG1 ILE A 51 5.354 -10.327 4.260 1.00 1.12 C ATOM 840 CG2 ILE A 51 6.679 -8.251 4.019 1.00 44.21 C ATOM 841 CD1 ILE A 51 4.051 -11.087 4.539 1.00 60.41 C ATOM 0 H ILE A 51 3.366 -9.105 6.799 1.00 24.24 H new ATOM 0 HA ILE A 51 6.237 -8.604 6.561 1.00 14.15 H new ATOM 0 HB ILE A 51 4.462 -8.385 4.112 1.00 33.22 H new ATOM 0 HG12 ILE A 51 5.606 -10.462 3.208 1.00 1.12 H new ATOM 0 HG13 ILE A 51 6.150 -10.794 4.841 1.00 1.12 H new ATOM 0 HG21 ILE A 51 6.770 -8.515 2.965 1.00 44.21 H new ATOM 0 HG22 ILE A 51 6.696 -7.166 4.124 1.00 44.21 H new ATOM 0 HG23 ILE A 51 7.512 -8.683 4.574 1.00 44.21 H new ATOM 0 HD11 ILE A 51 4.181 -12.138 4.282 1.00 60.41 H new ATOM 0 HD12 ILE A 51 3.798 -11.000 5.596 1.00 60.41 H new ATOM 0 HD13 ILE A 51 3.247 -10.663 3.938 1.00 60.41 H new ATOM 853 N GLU A 52 5.753 -6.097 6.650 1.00 14.52 N ATOM 854 CA GLU A 52 5.467 -4.661 6.813 1.00 42.44 C ATOM 855 C GLU A 52 6.168 -3.812 5.713 1.00 45.11 C ATOM 856 O GLU A 52 7.402 -3.669 5.728 1.00 51.34 O ATOM 857 CB GLU A 52 5.966 -4.230 8.178 1.00 2.30 C ATOM 858 CG GLU A 52 5.095 -3.235 8.915 1.00 41.53 C ATOM 859 CD GLU A 52 4.453 -3.816 10.164 1.00 20.22 C ATOM 860 OE1 GLU A 52 5.023 -4.764 10.754 1.00 21.01 O ATOM 861 OE2 GLU A 52 3.393 -3.304 10.580 1.00 71.32 O ATOM 0 H GLU A 52 6.659 -6.389 7.016 1.00 14.52 H new ATOM 0 HA GLU A 52 4.393 -4.501 6.721 1.00 42.44 H new ATOM 0 HB2 GLU A 52 6.077 -5.118 8.800 1.00 2.30 H new ATOM 0 HB3 GLU A 52 6.960 -3.797 8.061 1.00 2.30 H new ATOM 0 HG2 GLU A 52 5.697 -2.369 9.192 1.00 41.53 H new ATOM 0 HG3 GLU A 52 4.313 -2.878 8.244 1.00 41.53 H new ATOM 868 N PHE A 53 5.396 -3.309 4.728 1.00 12.31 N ATOM 869 CA PHE A 53 5.964 -2.493 3.625 1.00 73.14 C ATOM 870 C PHE A 53 5.474 -1.019 3.596 1.00 42.24 C ATOM 871 O PHE A 53 4.503 -0.674 4.281 1.00 73.03 O ATOM 872 CB PHE A 53 5.730 -3.208 2.279 1.00 22.13 C ATOM 873 CG PHE A 53 4.391 -3.874 2.209 1.00 12.43 C ATOM 874 CD1 PHE A 53 3.252 -3.108 2.072 1.00 74.53 C ATOM 875 CD2 PHE A 53 4.271 -5.256 2.304 1.00 41.55 C ATOM 876 CE1 PHE A 53 2.016 -3.692 2.034 1.00 71.23 C ATOM 877 CE2 PHE A 53 3.036 -5.845 2.267 1.00 72.11 C ATOM 878 CZ PHE A 53 1.904 -5.060 2.135 1.00 2.41 C ATOM 0 H PHE A 53 4.387 -3.449 4.670 1.00 12.31 H new ATOM 0 HA PHE A 53 7.035 -2.412 3.812 1.00 73.14 H new ATOM 0 HB2 PHE A 53 5.816 -2.485 1.468 1.00 22.13 H new ATOM 0 HB3 PHE A 53 6.511 -3.953 2.126 1.00 22.13 H new ATOM 0 HD1 PHE A 53 3.337 -2.034 1.994 1.00 74.53 H new ATOM 0 HD2 PHE A 53 5.156 -5.867 2.407 1.00 41.55 H new ATOM 0 HE1 PHE A 53 1.131 -3.082 1.925 1.00 71.23 H new ATOM 0 HE2 PHE A 53 2.945 -6.919 2.341 1.00 72.11 H new ATOM 0 HZ PHE A 53 0.928 -5.523 2.111 1.00 2.41 H new ATOM 888 N GLU A 54 6.161 -0.149 2.786 1.00 3.42 N ATOM 889 CA GLU A 54 5.807 1.301 2.675 1.00 35.31 C ATOM 890 C GLU A 54 4.620 1.611 1.727 1.00 53.22 C ATOM 891 O GLU A 54 3.925 2.596 1.960 1.00 74.21 O ATOM 892 CB GLU A 54 7.056 2.211 2.387 1.00 21.34 C ATOM 893 CG GLU A 54 7.342 2.651 0.929 1.00 53.43 C ATOM 894 CD GLU A 54 8.631 3.462 0.835 1.00 33.34 C ATOM 895 OE1 GLU A 54 8.643 4.625 1.304 1.00 52.23 O ATOM 896 OE2 GLU A 54 9.646 2.931 0.327 1.00 13.42 O ATOM 0 H GLU A 54 6.954 -0.427 2.208 1.00 3.42 H new ATOM 0 HA GLU A 54 5.441 1.563 3.668 1.00 35.31 H new ATOM 0 HB2 GLU A 54 6.952 3.114 2.989 1.00 21.34 H new ATOM 0 HB3 GLU A 54 7.938 1.685 2.751 1.00 21.34 H new ATOM 0 HG2 GLU A 54 7.416 1.771 0.290 1.00 53.43 H new ATOM 0 HG3 GLU A 54 6.508 3.246 0.557 1.00 53.43 H new ATOM 903 N ASP A 55 4.355 0.796 0.695 1.00 33.01 N ATOM 904 CA ASP A 55 3.174 1.026 -0.143 1.00 2.23 C ATOM 905 C ASP A 55 2.192 -0.148 -0.068 1.00 25.10 C ATOM 906 O ASP A 55 2.544 -1.262 -0.458 1.00 3.42 O ATOM 907 CB ASP A 55 3.610 1.183 -1.601 1.00 11.15 C ATOM 908 CG ASP A 55 3.526 2.612 -2.083 1.00 23.12 C ATOM 909 OD1 ASP A 55 2.414 3.054 -2.449 1.00 70.11 O ATOM 910 OD2 ASP A 55 4.564 3.303 -2.090 1.00 5.43 O ATOM 0 H ASP A 55 4.926 -0.006 0.427 1.00 33.01 H new ATOM 0 HA ASP A 55 2.680 1.927 0.222 1.00 2.23 H new ATOM 0 HB2 ASP A 55 4.634 0.826 -1.710 1.00 11.15 H new ATOM 0 HB3 ASP A 55 2.984 0.553 -2.233 1.00 11.15 H new ATOM 915 N ALA A 56 0.946 0.088 0.410 1.00 51.33 N ATOM 916 CA ALA A 56 -0.089 -0.962 0.342 1.00 2.11 C ATOM 917 C ALA A 56 -0.762 -1.192 -1.037 1.00 22.23 C ATOM 918 O ALA A 56 -1.114 -2.344 -1.309 1.00 75.11 O ATOM 919 CB ALA A 56 -1.141 -0.837 1.461 1.00 61.03 C ATOM 0 H ALA A 56 0.644 0.966 0.832 1.00 51.33 H new ATOM 0 HA ALA A 56 0.495 -1.868 0.506 1.00 2.11 H new ATOM 0 HB1 ALA A 56 -1.876 -1.635 1.360 1.00 61.03 H new ATOM 0 HB2 ALA A 56 -0.651 -0.915 2.431 1.00 61.03 H new ATOM 0 HB3 ALA A 56 -1.641 0.128 1.384 1.00 61.03 H new ATOM 925 N ARG A 57 -0.990 -0.167 -1.907 1.00 41.45 N ATOM 926 CA ARG A 57 -1.829 -0.454 -3.101 1.00 1.14 C ATOM 927 C ARG A 57 -1.037 -1.162 -4.250 1.00 32.30 C ATOM 928 O ARG A 57 -1.650 -1.897 -5.021 1.00 52.10 O ATOM 929 CB ARG A 57 -2.698 0.743 -3.642 1.00 74.12 C ATOM 930 CG ARG A 57 -2.031 1.716 -4.661 1.00 64.45 C ATOM 931 CD ARG A 57 -0.845 2.567 -4.152 1.00 30.15 C ATOM 932 NE ARG A 57 -1.131 3.996 -4.214 1.00 52.23 N ATOM 933 CZ ARG A 57 -0.501 4.872 -5.008 1.00 32.41 C ATOM 934 NH1 ARG A 57 0.459 4.487 -5.851 1.00 30.11 N ATOM 935 NH2 ARG A 57 -0.801 6.157 -4.908 1.00 24.14 N ATOM 0 H ARG A 57 -0.638 0.786 -1.818 1.00 41.45 H new ATOM 0 HA ARG A 57 -2.562 -1.161 -2.712 1.00 1.14 H new ATOM 0 HB2 ARG A 57 -3.590 0.326 -4.110 1.00 74.12 H new ATOM 0 HB3 ARG A 57 -3.032 1.330 -2.786 1.00 74.12 H new ATOM 0 HG2 ARG A 57 -1.685 1.129 -5.512 1.00 64.45 H new ATOM 0 HG3 ARG A 57 -2.799 2.395 -5.033 1.00 64.45 H new ATOM 0 HD2 ARG A 57 -0.613 2.288 -3.124 1.00 30.15 H new ATOM 0 HD3 ARG A 57 0.041 2.348 -4.749 1.00 30.15 H new ATOM 0 HE ARG A 57 -1.867 4.356 -3.606 1.00 52.23 H new ATOM 0 HH11 ARG A 57 0.729 3.505 -5.902 1.00 30.11 H new ATOM 0 HH12 ARG A 57 0.923 5.175 -6.445 1.00 30.11 H new ATOM 0 HH21 ARG A 57 -1.502 6.466 -4.234 1.00 24.14 H new ATOM 0 HH22 ARG A 57 -0.331 6.838 -5.504 1.00 24.14 H new ATOM 949 N ASP A 58 0.304 -0.925 -4.382 1.00 3.42 N ATOM 950 CA ASP A 58 1.133 -1.638 -5.418 1.00 61.35 C ATOM 951 C ASP A 58 1.208 -3.187 -5.219 1.00 73.53 C ATOM 952 O ASP A 58 1.190 -3.937 -6.200 1.00 44.03 O ATOM 953 CB ASP A 58 2.569 -1.052 -5.542 1.00 1.44 C ATOM 954 CG ASP A 58 2.994 -0.959 -6.994 1.00 55.24 C ATOM 955 OD1 ASP A 58 2.392 -0.146 -7.728 1.00 32.14 O ATOM 956 OD2 ASP A 58 3.920 -1.690 -7.405 1.00 23.13 O ATOM 0 H ASP A 58 0.826 -0.266 -3.804 1.00 3.42 H new ATOM 0 HA ASP A 58 0.599 -1.459 -6.351 1.00 61.35 H new ATOM 0 HB2 ASP A 58 2.603 -0.063 -5.085 1.00 1.44 H new ATOM 0 HB3 ASP A 58 3.271 -1.680 -4.993 1.00 1.44 H new ATOM 961 N ALA A 59 1.292 -3.660 -3.959 1.00 51.53 N ATOM 962 CA ALA A 59 1.239 -5.081 -3.604 1.00 55.01 C ATOM 963 C ALA A 59 0.006 -5.870 -4.146 1.00 73.21 C ATOM 964 O ALA A 59 0.088 -7.083 -4.212 1.00 62.43 O ATOM 965 CB ALA A 59 1.415 -5.257 -2.094 1.00 75.51 C ATOM 0 H ALA A 59 1.400 -3.049 -3.150 1.00 51.53 H new ATOM 0 HA ALA A 59 2.079 -5.540 -4.126 1.00 55.01 H new ATOM 0 HB1 ALA A 59 1.374 -6.317 -1.844 1.00 75.51 H new ATOM 0 HB2 ALA A 59 2.379 -4.850 -1.790 1.00 75.51 H new ATOM 0 HB3 ALA A 59 0.617 -4.729 -1.571 1.00 75.51 H new ATOM 971 N ALA A 60 -1.123 -5.182 -4.478 1.00 11.22 N ATOM 972 CA ALA A 60 -2.397 -5.799 -4.976 1.00 53.53 C ATOM 973 C ALA A 60 -2.220 -6.801 -6.188 1.00 4.53 C ATOM 974 O ALA A 60 -2.803 -7.905 -6.110 1.00 22.03 O ATOM 975 CB ALA A 60 -3.487 -4.697 -5.250 1.00 14.13 C ATOM 0 H ALA A 60 -1.179 -4.166 -4.408 1.00 11.22 H new ATOM 0 HA ALA A 60 -2.754 -6.435 -4.166 1.00 53.53 H new ATOM 0 HB1 ALA A 60 -4.400 -5.170 -5.610 1.00 14.13 H new ATOM 0 HB2 ALA A 60 -3.698 -4.156 -4.327 1.00 14.13 H new ATOM 0 HB3 ALA A 60 -3.119 -4.000 -6.003 1.00 14.13 H new ATOM 981 N ASP A 61 -1.412 -6.446 -7.266 1.00 74.10 N ATOM 982 CA ASP A 61 -1.023 -7.427 -8.366 1.00 60.34 C ATOM 983 C ASP A 61 -0.454 -8.743 -7.806 1.00 1.23 C ATOM 984 O ASP A 61 -0.902 -9.849 -8.144 1.00 10.03 O ATOM 985 CB ASP A 61 0.048 -6.866 -9.332 1.00 24.32 C ATOM 986 CG ASP A 61 -0.402 -5.613 -10.062 1.00 44.24 C ATOM 987 OD1 ASP A 61 -0.491 -4.548 -9.424 1.00 54.21 O ATOM 988 OD2 ASP A 61 -0.676 -5.709 -11.279 1.00 63.40 O ATOM 0 H ASP A 61 -1.027 -5.510 -7.393 1.00 74.10 H new ATOM 0 HA ASP A 61 -1.957 -7.602 -8.900 1.00 60.34 H new ATOM 0 HB2 ASP A 61 0.955 -6.645 -8.770 1.00 24.32 H new ATOM 0 HB3 ASP A 61 0.305 -7.632 -10.063 1.00 24.32 H new ATOM 993 N ALA A 62 0.522 -8.642 -6.934 1.00 4.31 N ATOM 994 CA ALA A 62 1.157 -9.841 -6.432 1.00 33.22 C ATOM 995 C ALA A 62 0.263 -10.585 -5.400 1.00 31.24 C ATOM 996 O ALA A 62 0.229 -11.816 -5.370 1.00 10.20 O ATOM 997 CB ALA A 62 2.591 -9.566 -5.956 1.00 75.20 C ATOM 0 H ALA A 62 0.888 -7.765 -6.564 1.00 4.31 H new ATOM 0 HA ALA A 62 1.263 -10.541 -7.261 1.00 33.22 H new ATOM 0 HB1 ALA A 62 3.035 -10.490 -5.586 1.00 75.20 H new ATOM 0 HB2 ALA A 62 3.184 -9.186 -6.788 1.00 75.20 H new ATOM 0 HB3 ALA A 62 2.573 -8.826 -5.156 1.00 75.20 H new ATOM 1003 N ILE A 63 -0.552 -9.879 -4.628 1.00 54.22 N ATOM 1004 CA ILE A 63 -1.382 -10.583 -3.691 1.00 1.10 C ATOM 1005 C ILE A 63 -2.543 -11.319 -4.354 1.00 11.35 C ATOM 1006 O ILE A 63 -2.808 -12.401 -3.926 1.00 34.31 O ATOM 1007 CB ILE A 63 -1.792 -9.775 -2.432 1.00 73.25 C ATOM 1008 CG1 ILE A 63 -1.329 -10.627 -1.241 1.00 3.31 C ATOM 1009 CG2 ILE A 63 -3.298 -9.444 -2.343 1.00 0.21 C ATOM 1010 CD1 ILE A 63 -2.129 -10.468 0.017 1.00 61.44 C ATOM 0 H ILE A 63 -0.648 -8.864 -4.636 1.00 54.22 H new ATOM 0 HA ILE A 63 -0.728 -11.357 -3.288 1.00 1.10 H new ATOM 0 HB ILE A 63 -1.324 -8.791 -2.457 1.00 73.25 H new ATOM 0 HG12 ILE A 63 -1.353 -11.676 -1.536 1.00 3.31 H new ATOM 0 HG13 ILE A 63 -0.290 -10.381 -1.023 1.00 3.31 H new ATOM 0 HG21 ILE A 63 -3.493 -8.878 -1.432 1.00 0.21 H new ATOM 0 HG22 ILE A 63 -3.592 -8.850 -3.209 1.00 0.21 H new ATOM 0 HG23 ILE A 63 -3.874 -10.370 -2.325 1.00 0.21 H new ATOM 0 HD11 ILE A 63 -1.718 -11.113 0.794 1.00 61.44 H new ATOM 0 HD12 ILE A 63 -2.086 -9.430 0.347 1.00 61.44 H new ATOM 0 HD13 ILE A 63 -3.166 -10.745 -0.174 1.00 61.44 H new ATOM 1022 N LYS A 64 -3.249 -10.731 -5.337 1.00 32.24 N ATOM 1023 CA LYS A 64 -4.111 -11.528 -6.240 1.00 53.34 C ATOM 1024 C LYS A 64 -3.383 -12.688 -6.984 1.00 61.24 C ATOM 1025 O LYS A 64 -4.023 -13.696 -7.271 1.00 63.10 O ATOM 1026 CB LYS A 64 -4.923 -10.639 -7.239 1.00 51.13 C ATOM 1027 CG LYS A 64 -4.122 -9.811 -8.295 1.00 0.43 C ATOM 1028 CD LYS A 64 -3.524 -10.650 -9.432 1.00 0.20 C ATOM 1029 CE LYS A 64 -3.067 -9.821 -10.611 1.00 41.54 C ATOM 1030 NZ LYS A 64 -4.048 -9.810 -11.714 1.00 3.45 N ATOM 0 H LYS A 64 -3.244 -9.729 -5.527 1.00 32.24 H new ATOM 0 HA LYS A 64 -4.818 -12.011 -5.565 1.00 53.34 H new ATOM 0 HB2 LYS A 64 -5.616 -11.287 -7.777 1.00 51.13 H new ATOM 0 HB3 LYS A 64 -5.525 -9.943 -6.655 1.00 51.13 H new ATOM 0 HG2 LYS A 64 -4.781 -9.056 -8.724 1.00 0.43 H new ATOM 0 HG3 LYS A 64 -3.316 -9.280 -7.788 1.00 0.43 H new ATOM 0 HD2 LYS A 64 -2.678 -11.220 -9.048 1.00 0.20 H new ATOM 0 HD3 LYS A 64 -4.267 -11.372 -9.771 1.00 0.20 H new ATOM 0 HE2 LYS A 64 -2.885 -8.798 -10.282 1.00 41.54 H new ATOM 0 HE3 LYS A 64 -2.118 -10.211 -10.978 1.00 41.54 H new ATOM 0 HZ1 LYS A 64 -3.685 -9.228 -12.496 1.00 3.45 H new ATOM 0 HZ2 LYS A 64 -4.204 -10.782 -12.050 1.00 3.45 H new ATOM 0 HZ3 LYS A 64 -4.947 -9.412 -11.375 1.00 3.45 H new ATOM 1044 N GLU A 65 -2.080 -12.545 -7.364 1.00 5.44 N ATOM 1045 CA GLU A 65 -1.351 -13.724 -7.919 1.00 52.52 C ATOM 1046 C GLU A 65 -1.206 -14.869 -6.879 1.00 61.14 C ATOM 1047 O GLU A 65 -1.231 -16.039 -7.275 1.00 74.45 O ATOM 1048 CB GLU A 65 0.016 -13.324 -8.542 1.00 65.30 C ATOM 1049 CG GLU A 65 1.199 -13.420 -7.601 1.00 33.42 C ATOM 1050 CD GLU A 65 2.253 -14.437 -8.012 1.00 51.54 C ATOM 1051 OE1 GLU A 65 2.927 -14.203 -9.041 1.00 21.11 O ATOM 1052 OE2 GLU A 65 2.402 -15.457 -7.309 1.00 73.40 O ATOM 0 H GLU A 65 -1.540 -11.682 -7.303 1.00 5.44 H new ATOM 0 HA GLU A 65 -1.964 -14.116 -8.730 1.00 52.52 H new ATOM 0 HB2 GLU A 65 0.205 -13.961 -9.406 1.00 65.30 H new ATOM 0 HB3 GLU A 65 -0.055 -12.300 -8.910 1.00 65.30 H new ATOM 0 HG2 GLU A 65 1.669 -12.439 -7.527 1.00 33.42 H new ATOM 0 HG3 GLU A 65 0.835 -13.675 -6.606 1.00 33.42 H new ATOM 1059 N LYS A 66 -1.078 -14.575 -5.562 1.00 52.34 N ATOM 1060 CA LYS A 66 -1.250 -15.701 -4.593 1.00 10.21 C ATOM 1061 C LYS A 66 -2.617 -15.715 -3.799 1.00 44.10 C ATOM 1062 O LYS A 66 -2.723 -16.413 -2.790 1.00 53.24 O ATOM 1063 CB LYS A 66 0.013 -15.917 -3.677 1.00 31.12 C ATOM 1064 CG LYS A 66 0.311 -14.879 -2.559 1.00 4.25 C ATOM 1065 CD LYS A 66 0.991 -13.602 -3.051 1.00 71.23 C ATOM 1066 CE LYS A 66 2.312 -13.874 -3.764 1.00 33.32 C ATOM 1067 NZ LYS A 66 3.306 -14.524 -2.865 1.00 63.15 N ATOM 0 H LYS A 66 -0.875 -13.658 -5.165 1.00 52.34 H new ATOM 0 HA LYS A 66 -1.326 -16.584 -5.227 1.00 10.21 H new ATOM 0 HB2 LYS A 66 -0.086 -16.894 -3.203 1.00 31.12 H new ATOM 0 HB3 LYS A 66 0.888 -15.964 -4.326 1.00 31.12 H new ATOM 0 HG2 LYS A 66 -0.625 -14.612 -2.068 1.00 4.25 H new ATOM 0 HG3 LYS A 66 0.944 -15.346 -1.805 1.00 4.25 H new ATOM 0 HD2 LYS A 66 0.319 -13.076 -3.729 1.00 71.23 H new ATOM 0 HD3 LYS A 66 1.170 -12.941 -2.203 1.00 71.23 H new ATOM 0 HE2 LYS A 66 2.133 -14.513 -4.629 1.00 33.32 H new ATOM 0 HE3 LYS A 66 2.721 -12.936 -4.140 1.00 33.32 H new ATOM 0 HZ1 LYS A 66 4.265 -14.222 -3.131 1.00 63.15 H new ATOM 0 HZ2 LYS A 66 3.117 -14.247 -1.881 1.00 63.15 H new ATOM 0 HZ3 LYS A 66 3.231 -15.557 -2.955 1.00 63.15 H new ATOM 1081 N ASP A 67 -3.664 -14.960 -4.261 1.00 72.43 N ATOM 1082 CA ASP A 67 -4.985 -14.857 -3.552 1.00 0.41 C ATOM 1083 C ASP A 67 -5.884 -16.061 -3.799 1.00 10.23 C ATOM 1084 O ASP A 67 -5.683 -16.784 -4.783 1.00 11.02 O ATOM 1085 CB ASP A 67 -5.760 -13.524 -3.621 1.00 43.43 C ATOM 1086 CG ASP A 67 -6.918 -13.482 -4.615 1.00 11.33 C ATOM 1087 OD1 ASP A 67 -6.668 -13.390 -5.830 1.00 63.13 O ATOM 1088 OD2 ASP A 67 -8.085 -13.516 -4.166 1.00 61.40 O ATOM 0 H ASP A 67 -3.619 -14.414 -5.121 1.00 72.43 H new ATOM 0 HA ASP A 67 -4.658 -14.864 -2.512 1.00 0.41 H new ATOM 0 HB2 ASP A 67 -6.149 -13.300 -2.628 1.00 43.43 H new ATOM 0 HB3 ASP A 67 -5.058 -12.730 -3.875 1.00 43.43 H new ATOM 1093 N GLY A 68 -6.880 -16.304 -2.933 1.00 53.25 N ATOM 1094 CA GLY A 68 -7.501 -17.598 -2.959 1.00 5.21 C ATOM 1095 C GLY A 68 -7.293 -18.400 -1.699 1.00 72.05 C ATOM 1096 O GLY A 68 -7.134 -19.622 -1.792 1.00 44.41 O ATOM 0 H GLY A 68 -7.245 -15.645 -2.245 1.00 53.25 H new ATOM 0 HA2 GLY A 68 -8.571 -17.474 -3.127 1.00 5.21 H new ATOM 0 HA3 GLY A 68 -7.109 -18.162 -3.806 1.00 5.21 H new ATOM 1100 N CYS A 69 -7.183 -17.689 -0.529 1.00 32.11 N ATOM 1101 CA CYS A 69 -6.851 -18.306 0.751 1.00 15.01 C ATOM 1102 C CYS A 69 -7.755 -19.509 1.041 1.00 40.14 C ATOM 1103 O CYS A 69 -8.985 -19.394 1.074 1.00 30.01 O ATOM 1104 CB CYS A 69 -7.093 -17.238 1.864 1.00 23.33 C ATOM 1105 SG CYS A 69 -8.000 -15.764 1.315 1.00 74.31 S ATOM 0 H CYS A 69 -7.326 -16.681 -0.473 1.00 32.11 H new ATOM 0 HA CYS A 69 -5.817 -18.648 0.725 1.00 15.01 H new ATOM 0 HB2 CYS A 69 -7.643 -17.703 2.682 1.00 23.33 H new ATOM 0 HB3 CYS A 69 -6.129 -16.926 2.266 1.00 23.33 H new ATOM 0 HG CYS A 69 -7.178 -14.763 1.209 1.00 74.31 H new ATOM 1111 N ASP A 70 -7.104 -20.666 1.294 1.00 72.45 N ATOM 1112 CA ASP A 70 -7.827 -21.906 1.442 1.00 51.14 C ATOM 1113 C ASP A 70 -7.329 -22.685 2.679 1.00 21.35 C ATOM 1114 O ASP A 70 -6.142 -22.575 3.063 1.00 71.24 O ATOM 1115 CB ASP A 70 -7.708 -22.741 0.157 1.00 73.13 C ATOM 1116 CG ASP A 70 -8.943 -23.582 -0.131 1.00 21.13 C ATOM 1117 OD1 ASP A 70 -9.190 -24.562 0.598 1.00 10.53 O ATOM 1118 OD2 ASP A 70 -9.656 -23.277 -1.113 1.00 71.42 O ATOM 0 H ASP A 70 -6.092 -20.747 1.395 1.00 72.45 H new ATOM 0 HA ASP A 70 -8.882 -21.685 1.603 1.00 51.14 H new ATOM 0 HB2 ASP A 70 -7.526 -22.074 -0.686 1.00 73.13 H new ATOM 0 HB3 ASP A 70 -6.841 -23.397 0.237 1.00 73.13 H new ATOM 1123 N PHE A 71 -8.253 -23.468 3.262 1.00 5.21 N ATOM 1124 CA PHE A 71 -8.125 -24.154 4.517 1.00 51.32 C ATOM 1125 C PHE A 71 -8.989 -25.419 4.374 1.00 54.03 C ATOM 1126 O PHE A 71 -10.012 -25.349 3.684 1.00 64.31 O ATOM 1127 CB PHE A 71 -8.560 -23.248 5.684 1.00 22.45 C ATOM 1128 CG PHE A 71 -8.126 -23.733 7.040 1.00 41.12 C ATOM 1129 CD1 PHE A 71 -6.808 -24.112 7.272 1.00 2.21 C ATOM 1130 CD2 PHE A 71 -9.032 -23.811 8.080 1.00 34.34 C ATOM 1131 CE1 PHE A 71 -6.414 -24.558 8.513 1.00 24.01 C ATOM 1132 CE2 PHE A 71 -8.641 -24.255 9.325 1.00 51.22 C ATOM 1133 CZ PHE A 71 -7.329 -24.630 9.543 1.00 61.21 C ATOM 0 H PHE A 71 -9.159 -23.636 2.825 1.00 5.21 H new ATOM 0 HA PHE A 71 -7.094 -24.423 4.748 1.00 51.32 H new ATOM 0 HB2 PHE A 71 -8.156 -22.248 5.522 1.00 22.45 H new ATOM 0 HB3 PHE A 71 -9.646 -23.159 5.674 1.00 22.45 H new ATOM 0 HD1 PHE A 71 -6.087 -24.056 6.470 1.00 2.21 H new ATOM 0 HD2 PHE A 71 -10.059 -23.521 7.916 1.00 34.34 H new ATOM 0 HE1 PHE A 71 -5.388 -24.852 8.681 1.00 24.01 H new ATOM 0 HE2 PHE A 71 -9.360 -24.310 10.129 1.00 51.22 H new ATOM 0 HZ PHE A 71 -7.021 -24.979 10.518 1.00 61.21 H new ATOM 1143 N GLU A 72 -8.546 -26.559 4.934 1.00 2.33 N ATOM 1144 CA GLU A 72 -9.253 -27.877 4.799 1.00 72.54 C ATOM 1145 C GLU A 72 -9.099 -28.509 3.382 1.00 63.35 C ATOM 1146 O GLU A 72 -10.056 -28.607 2.610 1.00 64.20 O ATOM 1147 CB GLU A 72 -10.799 -27.878 5.178 1.00 32.24 C ATOM 1148 CG GLU A 72 -11.287 -27.142 6.461 1.00 2.13 C ATOM 1149 CD GLU A 72 -12.781 -27.313 6.697 1.00 21.15 C ATOM 1150 OE1 GLU A 72 -13.564 -26.514 6.141 1.00 61.24 O ATOM 1151 OE2 GLU A 72 -13.168 -28.227 7.460 1.00 23.22 O ATOM 0 H GLU A 72 -7.694 -26.609 5.493 1.00 2.33 H new ATOM 0 HA GLU A 72 -8.737 -28.482 5.544 1.00 72.54 H new ATOM 0 HB2 GLU A 72 -11.340 -27.451 4.334 1.00 32.24 H new ATOM 0 HB3 GLU A 72 -11.111 -28.919 5.263 1.00 32.24 H new ATOM 0 HG2 GLU A 72 -10.740 -27.521 7.324 1.00 2.13 H new ATOM 0 HG3 GLU A 72 -11.054 -26.080 6.378 1.00 2.13 H new ATOM 1158 N GLY A 73 -7.853 -28.884 3.053 1.00 44.21 N ATOM 1159 CA GLY A 73 -7.556 -29.694 1.853 1.00 31.53 C ATOM 1160 C GLY A 73 -7.054 -28.951 0.616 1.00 64.23 C ATOM 1161 O GLY A 73 -6.535 -29.595 -0.301 1.00 72.34 O ATOM 0 H GLY A 73 -7.029 -28.640 3.602 1.00 44.21 H new ATOM 0 HA2 GLY A 73 -6.809 -30.440 2.125 1.00 31.53 H new ATOM 0 HA3 GLY A 73 -8.461 -30.235 1.578 1.00 31.53 H new ATOM 1165 N ASN A 74 -7.171 -27.631 0.566 1.00 35.12 N ATOM 1166 CA ASN A 74 -6.168 -26.837 -0.190 1.00 4.31 C ATOM 1167 C ASN A 74 -5.444 -26.000 0.857 1.00 52.43 C ATOM 1168 O ASN A 74 -6.087 -25.282 1.606 1.00 31.33 O ATOM 1169 CB ASN A 74 -6.734 -25.942 -1.372 1.00 13.11 C ATOM 1170 CG ASN A 74 -7.675 -26.671 -2.324 1.00 51.24 C ATOM 1171 OD1 ASN A 74 -7.498 -27.844 -2.626 1.00 13.22 O ATOM 1172 ND2 ASN A 74 -8.686 -25.960 -2.805 1.00 21.11 N ATOM 0 H ASN A 74 -7.911 -27.091 1.014 1.00 35.12 H new ATOM 0 HA ASN A 74 -5.510 -27.522 -0.724 1.00 4.31 H new ATOM 0 HB2 ASN A 74 -7.260 -25.089 -0.944 1.00 13.11 H new ATOM 0 HB3 ASN A 74 -5.895 -25.545 -1.944 1.00 13.11 H new ATOM 0 HD21 ASN A 74 -9.349 -26.389 -3.450 1.00 21.11 H new ATOM 0 HD22 ASN A 74 -8.800 -24.985 -2.530 1.00 21.11 H new ATOM 1179 N LYS A 75 -4.122 -26.154 0.993 1.00 41.42 N ATOM 1180 CA LYS A 75 -3.427 -25.420 2.090 1.00 34.33 C ATOM 1181 C LYS A 75 -2.823 -24.109 1.510 1.00 23.31 C ATOM 1182 O LYS A 75 -1.770 -24.199 0.870 1.00 4.12 O ATOM 1183 CB LYS A 75 -2.333 -26.315 2.807 1.00 3.40 C ATOM 1184 CG LYS A 75 -2.211 -26.152 4.341 1.00 50.23 C ATOM 1185 CD LYS A 75 -3.536 -26.334 5.140 1.00 75.52 C ATOM 1186 CE LYS A 75 -4.183 -27.734 5.047 1.00 64.01 C ATOM 1187 NZ LYS A 75 -3.233 -28.851 5.327 1.00 43.33 N ATOM 0 H LYS A 75 -3.530 -26.739 0.404 1.00 41.42 H new ATOM 0 HA LYS A 75 -4.151 -25.167 2.865 1.00 34.33 H new ATOM 0 HB2 LYS A 75 -2.551 -27.361 2.590 1.00 3.40 H new ATOM 0 HB3 LYS A 75 -1.363 -26.093 2.361 1.00 3.40 H new ATOM 0 HG2 LYS A 75 -1.482 -26.874 4.709 1.00 50.23 H new ATOM 0 HG3 LYS A 75 -1.812 -25.160 4.553 1.00 50.23 H new ATOM 0 HD2 LYS A 75 -3.340 -26.113 6.189 1.00 75.52 H new ATOM 0 HD3 LYS A 75 -4.257 -25.596 4.787 1.00 75.52 H new ATOM 0 HE2 LYS A 75 -5.013 -27.789 5.751 1.00 64.01 H new ATOM 0 HE3 LYS A 75 -4.602 -27.866 4.049 1.00 64.01 H new ATOM 0 HZ1 LYS A 75 -3.732 -29.760 5.247 1.00 43.33 H new ATOM 0 HZ2 LYS A 75 -2.453 -28.824 4.640 1.00 43.33 H new ATOM 0 HZ3 LYS A 75 -2.851 -28.749 6.289 1.00 43.33 H new ATOM 1201 N LEU A 76 -3.448 -22.888 1.714 1.00 20.22 N ATOM 1202 CA LEU A 76 -2.924 -21.658 1.045 1.00 61.32 C ATOM 1203 C LEU A 76 -3.631 -20.349 1.549 1.00 4.54 C ATOM 1204 O LEU A 76 -4.370 -19.768 0.790 1.00 62.05 O ATOM 1205 CB LEU A 76 -3.105 -21.769 -0.515 1.00 34.24 C ATOM 1206 CG LEU A 76 -2.483 -20.640 -1.338 1.00 24.42 C ATOM 1207 CD1 LEU A 76 -0.995 -20.856 -1.542 1.00 71.22 C ATOM 1208 CD2 LEU A 76 -3.218 -20.453 -2.663 1.00 71.14 C ATOM 0 H LEU A 76 -4.268 -22.745 2.304 1.00 20.22 H new ATOM 0 HA LEU A 76 -1.867 -21.589 1.302 1.00 61.32 H new ATOM 0 HB2 LEU A 76 -2.674 -22.714 -0.846 1.00 34.24 H new ATOM 0 HB3 LEU A 76 -4.172 -21.810 -0.736 1.00 34.24 H new ATOM 0 HG LEU A 76 -2.596 -19.715 -0.772 1.00 24.42 H new ATOM 0 HD11 LEU A 76 -0.586 -20.035 -2.131 1.00 71.22 H new ATOM 0 HD12 LEU A 76 -0.496 -20.892 -0.573 1.00 71.22 H new ATOM 0 HD13 LEU A 76 -0.833 -21.796 -2.069 1.00 71.22 H new ATOM 0 HD21 LEU A 76 -2.753 -19.644 -3.226 1.00 71.14 H new ATOM 0 HD22 LEU A 76 -3.165 -21.375 -3.242 1.00 71.14 H new ATOM 0 HD23 LEU A 76 -4.262 -20.207 -2.468 1.00 71.14 H new ATOM 1220 N ARG A 77 -3.429 -19.847 2.794 1.00 5.44 N ATOM 1221 CA ARG A 77 -4.211 -18.684 3.271 1.00 55.21 C ATOM 1222 C ARG A 77 -3.384 -17.372 3.055 1.00 42.21 C ATOM 1223 O ARG A 77 -2.347 -17.204 3.693 1.00 14.33 O ATOM 1224 CB ARG A 77 -4.560 -18.958 4.781 1.00 65.03 C ATOM 1225 CG ARG A 77 -5.331 -17.898 5.625 1.00 15.22 C ATOM 1226 CD ARG A 77 -4.488 -16.685 6.072 1.00 70.12 C ATOM 1227 NE ARG A 77 -5.090 -15.967 7.215 1.00 73.14 N ATOM 1228 CZ ARG A 77 -6.246 -15.273 7.173 1.00 41.41 C ATOM 1229 NH1 ARG A 77 -6.968 -15.223 6.050 1.00 20.42 N ATOM 1230 NH2 ARG A 77 -6.677 -14.625 8.256 1.00 41.04 N ATOM 0 H ARG A 77 -2.754 -20.216 3.464 1.00 5.44 H new ATOM 0 HA ARG A 77 -5.139 -18.549 2.716 1.00 55.21 H new ATOM 0 HB2 ARG A 77 -5.142 -19.879 4.814 1.00 65.03 H new ATOM 0 HB3 ARG A 77 -3.620 -19.157 5.296 1.00 65.03 H new ATOM 0 HG2 ARG A 77 -6.179 -17.538 5.042 1.00 15.22 H new ATOM 0 HG3 ARG A 77 -5.737 -18.386 6.511 1.00 15.22 H new ATOM 0 HD2 ARG A 77 -3.488 -17.022 6.345 1.00 70.12 H new ATOM 0 HD3 ARG A 77 -4.374 -15.997 5.234 1.00 70.12 H new ATOM 0 HE ARG A 77 -4.593 -15.999 8.105 1.00 73.14 H new ATOM 0 HH11 ARG A 77 -6.646 -15.712 5.215 1.00 20.42 H new ATOM 0 HH12 ARG A 77 -7.841 -14.696 6.028 1.00 20.42 H new ATOM 0 HH21 ARG A 77 -6.132 -14.654 9.118 1.00 41.04 H new ATOM 0 HH22 ARG A 77 -7.551 -14.101 8.222 1.00 41.04 H new ATOM 1244 N VAL A 78 -3.799 -16.434 2.160 1.00 34.14 N ATOM 1245 CA VAL A 78 -3.075 -15.146 2.058 1.00 11.34 C ATOM 1246 C VAL A 78 -4.097 -13.967 2.158 1.00 0.43 C ATOM 1247 O VAL A 78 -4.993 -13.886 1.318 1.00 34.50 O ATOM 1248 CB VAL A 78 -2.149 -15.020 0.761 1.00 22.13 C ATOM 1249 CG1 VAL A 78 -1.276 -13.799 0.917 1.00 41.11 C ATOM 1250 CG2 VAL A 78 -1.207 -16.226 0.598 1.00 31.42 C ATOM 0 H VAL A 78 -4.593 -16.540 1.529 1.00 34.14 H new ATOM 0 HA VAL A 78 -2.379 -15.101 2.896 1.00 11.34 H new ATOM 0 HB VAL A 78 -2.805 -14.963 -0.107 1.00 22.13 H new ATOM 0 HG11 VAL A 78 -0.636 -13.695 0.041 1.00 41.11 H new ATOM 0 HG12 VAL A 78 -1.904 -12.913 1.015 1.00 41.11 H new ATOM 0 HG13 VAL A 78 -0.657 -13.906 1.808 1.00 41.11 H new ATOM 0 HG21 VAL A 78 -0.599 -16.094 -0.297 1.00 31.42 H new ATOM 0 HG22 VAL A 78 -0.558 -16.301 1.470 1.00 31.42 H new ATOM 0 HG23 VAL A 78 -1.796 -17.138 0.505 1.00 31.42 H new ATOM 1260 N GLU A 79 -3.998 -13.073 3.196 1.00 73.41 N ATOM 1261 CA GLU A 79 -4.971 -12.008 3.395 1.00 65.20 C ATOM 1262 C GLU A 79 -4.246 -10.683 3.690 1.00 72.43 C ATOM 1263 O GLU A 79 -3.224 -10.652 4.432 1.00 75.40 O ATOM 1264 CB GLU A 79 -5.886 -12.492 4.566 1.00 23.33 C ATOM 1265 CG GLU A 79 -6.936 -11.528 5.187 1.00 71.22 C ATOM 1266 CD GLU A 79 -8.043 -12.265 5.921 1.00 53.11 C ATOM 1267 OE1 GLU A 79 -8.817 -12.995 5.267 1.00 32.22 O ATOM 1268 OE2 GLU A 79 -8.114 -12.150 7.162 1.00 73.24 O ATOM 0 H GLU A 79 -3.250 -13.091 3.889 1.00 73.41 H new ATOM 0 HA GLU A 79 -5.579 -11.810 2.512 1.00 65.20 H new ATOM 0 HB2 GLU A 79 -6.424 -13.372 4.214 1.00 23.33 H new ATOM 0 HB3 GLU A 79 -5.231 -12.821 5.373 1.00 23.33 H new ATOM 0 HG2 GLU A 79 -6.436 -10.849 5.878 1.00 71.22 H new ATOM 0 HG3 GLU A 79 -7.373 -10.916 4.398 1.00 71.22 H new ATOM 1275 N VAL A 80 -4.716 -9.597 3.034 1.00 4.01 N ATOM 1276 CA VAL A 80 -4.447 -8.258 3.523 1.00 63.35 C ATOM 1277 C VAL A 80 -5.281 -7.974 4.800 1.00 63.44 C ATOM 1278 O VAL A 80 -6.505 -8.121 4.815 1.00 1.40 O ATOM 1279 CB VAL A 80 -4.720 -7.167 2.431 1.00 50.02 C ATOM 1280 CG1 VAL A 80 -3.744 -7.307 1.280 1.00 60.34 C ATOM 1281 CG2 VAL A 80 -6.134 -7.235 1.869 1.00 21.01 C ATOM 0 H VAL A 80 -5.273 -9.637 2.180 1.00 4.01 H new ATOM 0 HA VAL A 80 -3.387 -8.206 3.772 1.00 63.35 H new ATOM 0 HB VAL A 80 -4.593 -6.206 2.929 1.00 50.02 H new ATOM 0 HG11 VAL A 80 -3.950 -6.541 0.533 1.00 60.34 H new ATOM 0 HG12 VAL A 80 -2.726 -7.188 1.650 1.00 60.34 H new ATOM 0 HG13 VAL A 80 -3.853 -8.293 0.828 1.00 60.34 H new ATOM 0 HG21 VAL A 80 -6.265 -6.456 1.118 1.00 21.01 H new ATOM 0 HG22 VAL A 80 -6.297 -8.211 1.412 1.00 21.01 H new ATOM 0 HG23 VAL A 80 -6.853 -7.087 2.674 1.00 21.01 H new ATOM 1291 N PRO A 81 -4.625 -7.603 5.918 1.00 23.14 N ATOM 1292 CA PRO A 81 -5.314 -7.074 7.091 1.00 61.03 C ATOM 1293 C PRO A 81 -5.415 -5.540 7.077 1.00 52.52 C ATOM 1294 O PRO A 81 -5.578 -4.914 8.127 1.00 74.31 O ATOM 1295 CB PRO A 81 -4.438 -7.571 8.248 1.00 43.10 C ATOM 1296 CG PRO A 81 -3.065 -7.709 7.684 1.00 43.40 C ATOM 1297 CD PRO A 81 -3.195 -7.788 6.178 1.00 21.44 C ATOM 0 HA PRO A 81 -6.351 -7.404 7.153 1.00 61.03 H new ATOM 0 HB2 PRO A 81 -4.451 -6.866 9.079 1.00 43.10 H new ATOM 0 HB3 PRO A 81 -4.801 -8.524 8.632 1.00 43.10 H new ATOM 0 HG2 PRO A 81 -2.446 -6.859 7.971 1.00 43.40 H new ATOM 0 HG3 PRO A 81 -2.579 -8.603 8.074 1.00 43.40 H new ATOM 0 HD2 PRO A 81 -2.600 -7.017 5.688 1.00 21.44 H new ATOM 0 HD3 PRO A 81 -2.845 -8.749 5.800 1.00 21.44 H new ATOM 1305 N PHE A 82 -5.331 -4.936 5.882 1.00 1.04 N ATOM 1306 CA PHE A 82 -5.486 -3.495 5.748 1.00 71.23 C ATOM 1307 C PHE A 82 -6.639 -3.155 4.792 1.00 53.44 C ATOM 1308 O PHE A 82 -7.597 -2.485 5.194 1.00 3.50 O ATOM 1309 CB PHE A 82 -4.144 -2.778 5.365 1.00 34.20 C ATOM 1310 CG PHE A 82 -3.266 -3.415 4.289 1.00 64.13 C ATOM 1311 CD1 PHE A 82 -3.575 -3.297 2.942 1.00 75.20 C ATOM 1312 CD2 PHE A 82 -2.106 -4.091 4.633 1.00 34.31 C ATOM 1313 CE1 PHE A 82 -2.764 -3.836 1.974 1.00 31.14 C ATOM 1314 CE2 PHE A 82 -1.284 -4.636 3.666 1.00 4.30 C ATOM 1315 CZ PHE A 82 -1.614 -4.509 2.338 1.00 50.53 C ATOM 0 H PHE A 82 -5.158 -5.427 5.005 1.00 1.04 H new ATOM 0 HA PHE A 82 -5.753 -3.100 6.728 1.00 71.23 H new ATOM 0 HB2 PHE A 82 -4.388 -1.767 5.040 1.00 34.20 H new ATOM 0 HB3 PHE A 82 -3.546 -2.686 6.271 1.00 34.20 H new ATOM 0 HD1 PHE A 82 -4.471 -2.771 2.649 1.00 75.20 H new ATOM 0 HD2 PHE A 82 -1.840 -4.193 5.675 1.00 34.31 H new ATOM 0 HE1 PHE A 82 -3.025 -3.734 0.931 1.00 31.14 H new ATOM 0 HE2 PHE A 82 -0.384 -5.160 3.953 1.00 4.30 H new ATOM 0 HZ PHE A 82 -0.974 -4.935 1.579 1.00 50.53 H new ATOM 1325 N ASN A 83 -6.533 -3.664 3.550 1.00 41.33 N ATOM 1326 CA ASN A 83 -7.470 -3.394 2.416 1.00 0.24 C ATOM 1327 C ASN A 83 -7.766 -1.862 2.223 1.00 60.33 C ATOM 1328 O ASN A 83 -8.915 -1.474 1.973 1.00 61.02 O ATOM 1329 CB ASN A 83 -8.816 -4.188 2.555 1.00 0.12 C ATOM 1330 CG ASN A 83 -9.397 -4.617 1.208 1.00 10.34 C ATOM 1331 OD1 ASN A 83 -10.160 -3.742 0.573 1.00 73.15 O flip ATOM 1332 ND2 ASN A 83 -9.147 -5.722 0.736 1.00 14.33 N flip ATOM 0 H ASN A 83 -5.775 -4.294 3.289 1.00 41.33 H new ATOM 0 HA ASN A 83 -6.953 -3.748 1.524 1.00 0.24 H new ATOM 0 HB2 ASN A 83 -8.648 -5.072 3.170 1.00 0.12 H new ATOM 0 HB3 ASN A 83 -9.545 -3.569 3.078 1.00 0.12 H new ATOM 0 HD21 ASN A 83 -8.555 -6.374 1.250 1.00 14.33 H new ATOM 0 HD22 ASN A 83 -9.531 -5.988 -0.171 1.00 14.33 H new ATOM 1339 N ALA A 84 -6.729 -0.990 2.289 1.00 24.42 N ATOM 1340 CA ALA A 84 -6.949 0.471 2.313 1.00 72.52 C ATOM 1341 C ALA A 84 -5.662 1.233 1.921 1.00 52.23 C ATOM 1342 O ALA A 84 -4.573 0.799 2.329 1.00 62.23 O ATOM 1343 CB ALA A 84 -7.399 0.931 3.709 1.00 43.13 C ATOM 0 H ALA A 84 -5.749 -1.270 2.326 1.00 24.42 H new ATOM 0 HA ALA A 84 -7.731 0.694 1.588 1.00 72.52 H new ATOM 0 HB1 ALA A 84 -7.555 2.010 3.704 1.00 43.13 H new ATOM 0 HB2 ALA A 84 -8.330 0.431 3.974 1.00 43.13 H new ATOM 0 HB3 ALA A 84 -6.631 0.679 4.440 1.00 43.13 H new ATOM 1349 N ARG A 85 -5.798 2.386 1.181 1.00 33.11 N ATOM 1350 CA ARG A 85 -4.656 3.226 0.689 1.00 75.13 C ATOM 1351 C ARG A 85 -5.179 4.259 -0.320 1.00 45.32 C ATOM 1352 O ARG A 85 -6.187 4.024 -0.991 1.00 54.44 O ATOM 1353 CB ARG A 85 -3.523 2.386 0.008 1.00 40.43 C ATOM 1354 CG ARG A 85 -2.285 3.172 -0.438 1.00 53.41 C ATOM 1355 CD ARG A 85 -1.445 3.657 0.732 1.00 22.40 C ATOM 1356 NE ARG A 85 -0.159 4.180 0.281 1.00 41.01 N ATOM 1357 CZ ARG A 85 1.000 3.983 0.912 1.00 52.50 C ATOM 1358 NH1 ARG A 85 1.055 3.283 2.050 1.00 53.41 N ATOM 1359 NH2 ARG A 85 2.118 4.468 0.396 1.00 72.55 N ATOM 0 H ARG A 85 -6.709 2.756 0.910 1.00 33.11 H new ATOM 0 HA ARG A 85 -4.223 3.711 1.564 1.00 75.13 H new ATOM 0 HB2 ARG A 85 -3.205 1.609 0.703 1.00 40.43 H new ATOM 0 HB3 ARG A 85 -3.943 1.883 -0.863 1.00 40.43 H new ATOM 0 HG2 ARG A 85 -1.673 2.542 -1.083 1.00 53.41 H new ATOM 0 HG3 ARG A 85 -2.599 4.029 -1.034 1.00 53.41 H new ATOM 0 HD2 ARG A 85 -1.986 4.433 1.274 1.00 22.40 H new ATOM 0 HD3 ARG A 85 -1.281 2.836 1.430 1.00 22.40 H new ATOM 0 HE ARG A 85 -0.145 4.734 -0.575 1.00 41.01 H new ATOM 0 HH11 ARG A 85 0.202 2.890 2.449 1.00 53.41 H new ATOM 0 HH12 ARG A 85 1.950 3.142 2.519 1.00 53.41 H new ATOM 0 HH21 ARG A 85 2.091 4.990 -0.480 1.00 72.55 H new ATOM 0 HH22 ARG A 85 3.007 4.320 0.874 1.00 72.55 H new ATOM 1373 N GLU A 86 -4.501 5.410 -0.387 1.00 61.04 N ATOM 1374 CA GLU A 86 -4.695 6.366 -1.464 1.00 72.13 C ATOM 1375 C GLU A 86 -3.500 6.222 -2.422 1.00 51.15 C ATOM 1376 O GLU A 86 -2.404 6.730 -2.103 1.00 2.43 O ATOM 1377 CB GLU A 86 -4.808 7.792 -0.887 1.00 13.54 C ATOM 1378 CG GLU A 86 -5.663 8.779 -1.713 1.00 31.50 C ATOM 1379 CD GLU A 86 -4.996 9.271 -2.991 1.00 14.54 C ATOM 1380 OE1 GLU A 86 -4.150 10.181 -2.899 1.00 71.13 O ATOM 1381 OE2 GLU A 86 -5.345 8.778 -4.089 1.00 62.42 O ATOM 1382 OXT GLU A 86 -3.645 5.527 -3.443 1.00 37.61 O ATOM 0 H GLU A 86 -3.808 5.697 0.304 1.00 61.04 H new ATOM 0 HA GLU A 86 -5.620 6.175 -2.008 1.00 72.13 H new ATOM 0 HB2 GLU A 86 -5.228 7.727 0.117 1.00 13.54 H new ATOM 0 HB3 GLU A 86 -3.804 8.205 -0.786 1.00 13.54 H new ATOM 0 HG2 GLU A 86 -6.605 8.296 -1.972 1.00 31.50 H new ATOM 0 HG3 GLU A 86 -5.906 9.640 -1.090 1.00 31.50 H new TER 1389 GLU A 86