USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 849 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 78 ASN : amide:sc= -0.562 K(o=-3.4,f=-2.1) USER MOD Set 1.2: A 92 ASN : amide:sc= -2.84! K(o=-3.4!,f=-0.83) USER MOD Set 2.1: A 74 GLN : amide:sc= -1.62 K(o=-14,f=-10) USER MOD Set 2.2: A 80 HIS : no HE2:sc= -12! C(o=-14!,f=-10!) USER MOD Set 3.1: A 14 MET CE :methyl 161:sc= -0.115 (180deg=-0.264) USER MOD Set 3.2: A 31 GLN : amide:sc= -1.6 X(o=-1.7,f=-1.7) USER MOD Set 4.1: A 8 SER OG : rot 160:sc= -0.463 USER MOD Set 4.2: A 37 GLN : amide:sc= -2.55! C(o=-3!,f=-0.62!) USER MOD Set 5.1: A 7 CYS SG : rot 140:sc= -1.35 USER MOD Set 5.2: A 101 GLN : amide:sc= -4.09! K(o=-5.4!,f=0.015) USER MOD Single : A 4 THR OG1 : rot 25:sc= 0.0526 USER MOD Single : A 9 SER OG : rot -135:sc= -2.17 USER MOD Single : A 12 THR OG1 : rot -39:sc= 0.267 USER MOD Single : A 16 TYR OH : rot 60:sc= -1.45 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -20:sc= -2.93! USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -4.51 X(o=-4.5,f=-4.3!) USER MOD Single : A 41 ASN : amide:sc= -1.49 K(o=-1.5,f=-0.17) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.671 X(o=-0.67,f=-0.43) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -121:sc= 0.807 (180deg=-1.25) USER MOD Single : A 54 MET CE :methyl 152:sc= -4.1! (180deg=-7.55!) USER MOD Single : A 55 GLN : amide:sc= -1.11 K(o=-1.1,f=-3.1!) USER MOD Single : A 58 GLN : amide:sc= -1.08 K(o=-1.1,f=-6.6!) USER MOD Single : A 59 GLN : amide:sc= -4.09! C(o=-4.1!,f=-5.3!) USER MOD Single : A 63 ASN : amide:sc= -1.18 X(o=-1.2,f=-1.5!) USER MOD Single : A 64 CYS SG : rot 180:sc= 0.0349 USER MOD Single : A 71 LYS NZ :NH3+ 155:sc= -0.0466 (180deg=-0.401) USER MOD Single : A 72 TYR OH : rot -142:sc= 1.15 USER MOD Single : A 73 ASN : amide:sc= -0.344 X(o=-0.34,f=-0.084) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.159 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 87 GLN : amide:sc= -0.364 X(o=-0.36,f=-0.11) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl -122:sc= -13.3! (180deg=-20.2!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 4 12.106 9.410 4.357 1.00 0.00 N ATOM 47 CA THR A 4 12.124 9.879 2.977 1.00 0.00 C ATOM 48 C THR A 4 11.089 9.139 2.135 1.00 0.00 C ATOM 49 O THR A 4 11.313 8.001 1.721 1.00 0.00 O ATOM 50 CB THR A 4 13.518 9.690 2.374 1.00 0.00 C ATOM 51 OG1 THR A 4 14.483 10.430 3.101 1.00 0.00 O ATOM 52 CG2 THR A 4 13.610 10.118 0.924 1.00 0.00 C ATOM 0 HA THR A 4 11.873 10.940 2.976 1.00 0.00 H new ATOM 0 HB THR A 4 13.713 8.619 2.432 1.00 0.00 H new ATOM 0 HG1 THR A 4 14.166 10.569 4.018 1.00 0.00 H new ATOM 0 HG21 THR A 4 14.625 9.957 0.561 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.913 9.531 0.326 1.00 0.00 H new ATOM 0 HG23 THR A 4 13.358 11.175 0.840 1.00 0.00 H new ATOM 60 N VAL A 5 9.960 9.793 1.880 1.00 0.00 N ATOM 61 CA VAL A 5 8.900 9.191 1.081 1.00 0.00 C ATOM 62 C VAL A 5 9.407 8.858 -0.319 1.00 0.00 C ATOM 63 O VAL A 5 10.365 9.462 -0.800 1.00 0.00 O ATOM 64 CB VAL A 5 7.669 10.117 0.979 1.00 0.00 C ATOM 65 CG1 VAL A 5 6.691 9.612 -0.073 1.00 0.00 C ATOM 66 CG2 VAL A 5 6.980 10.240 2.330 1.00 0.00 C ATOM 0 H VAL A 5 9.757 10.735 2.213 1.00 0.00 H new ATOM 0 HA VAL A 5 8.597 8.273 1.584 1.00 0.00 H new ATOM 0 HB VAL A 5 8.015 11.105 0.674 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.833 10.283 -0.124 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.185 9.580 -1.044 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.353 8.611 0.195 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.115 10.896 2.239 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.654 9.255 2.663 1.00 0.00 H new ATOM 0 HG23 VAL A 5 7.677 10.657 3.057 1.00 0.00 H new ATOM 76 N ILE A 6 8.768 7.887 -0.964 1.00 0.00 N ATOM 77 CA ILE A 6 9.175 7.474 -2.303 1.00 0.00 C ATOM 78 C ILE A 6 8.210 7.968 -3.378 1.00 0.00 C ATOM 79 O ILE A 6 8.559 8.827 -4.187 1.00 0.00 O ATOM 80 CB ILE A 6 9.296 5.941 -2.413 1.00 0.00 C ATOM 81 CG1 ILE A 6 9.664 5.335 -1.053 1.00 0.00 C ATOM 82 CG2 ILE A 6 10.323 5.582 -3.473 1.00 0.00 C ATOM 83 CD1 ILE A 6 10.412 4.019 -1.131 1.00 0.00 C ATOM 0 H ILE A 6 7.972 7.374 -0.585 1.00 0.00 H new ATOM 0 HA ILE A 6 10.151 7.929 -2.470 1.00 0.00 H new ATOM 0 HB ILE A 6 8.334 5.524 -2.712 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.273 6.052 -0.503 1.00 0.00 H new ATOM 0 HG13 ILE A 6 8.751 5.185 -0.477 1.00 0.00 H new ATOM 0 HG21 ILE A 6 10.405 4.498 -3.547 1.00 0.00 H new ATOM 0 HG22 ILE A 6 10.011 5.989 -4.435 1.00 0.00 H new ATOM 0 HG23 ILE A 6 11.291 6.001 -3.199 1.00 0.00 H new ATOM 0 HD11 ILE A 6 10.631 3.665 -0.124 1.00 0.00 H new ATOM 0 HD12 ILE A 6 9.799 3.282 -1.650 1.00 0.00 H new ATOM 0 HD13 ILE A 6 11.345 4.163 -1.676 1.00 0.00 H new ATOM 95 N CYS A 7 7.004 7.409 -3.396 1.00 0.00 N ATOM 96 CA CYS A 7 6.007 7.787 -4.391 1.00 0.00 C ATOM 97 C CYS A 7 4.647 8.034 -3.748 1.00 0.00 C ATOM 98 O CYS A 7 4.524 8.050 -2.525 1.00 0.00 O ATOM 99 CB CYS A 7 5.898 6.694 -5.456 1.00 0.00 C ATOM 100 SG CYS A 7 6.373 7.233 -7.114 1.00 0.00 S ATOM 0 H CYS A 7 6.695 6.696 -2.736 1.00 0.00 H new ATOM 0 HA CYS A 7 6.328 8.718 -4.859 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.527 5.853 -5.164 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.871 6.329 -5.484 1.00 0.00 H new ATOM 0 HG CYS A 7 7.050 6.290 -7.700 1.00 0.00 H new ATOM 106 N SER A 8 3.628 8.227 -4.585 1.00 0.00 N ATOM 107 CA SER A 8 2.271 8.479 -4.101 1.00 0.00 C ATOM 108 C SER A 8 1.234 8.125 -5.160 1.00 0.00 C ATOM 109 O SER A 8 1.313 8.588 -6.298 1.00 0.00 O ATOM 110 CB SER A 8 2.110 9.950 -3.706 1.00 0.00 C ATOM 111 OG SER A 8 3.365 10.604 -3.639 1.00 0.00 O ATOM 0 H SER A 8 3.716 8.214 -5.601 1.00 0.00 H new ATOM 0 HA SER A 8 2.109 7.847 -3.228 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.472 10.456 -4.431 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.610 10.017 -2.740 1.00 0.00 H new ATOM 0 HG SER A 8 3.233 11.573 -3.705 1.00 0.00 H new ATOM 117 N SER A 9 0.255 7.308 -4.781 1.00 0.00 N ATOM 118 CA SER A 9 -0.797 6.907 -5.711 1.00 0.00 C ATOM 119 C SER A 9 -2.177 6.974 -5.059 1.00 0.00 C ATOM 120 O SER A 9 -2.310 6.830 -3.844 1.00 0.00 O ATOM 121 CB SER A 9 -0.539 5.494 -6.225 1.00 0.00 C ATOM 122 OG SER A 9 -1.633 5.026 -6.995 1.00 0.00 O ATOM 0 H SER A 9 0.168 6.913 -3.844 1.00 0.00 H new ATOM 0 HA SER A 9 -0.781 7.606 -6.547 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.367 5.483 -6.830 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.368 4.823 -5.383 1.00 0.00 H new ATOM 0 HG SER A 9 -1.845 4.105 -6.736 1.00 0.00 H new ATOM 128 N ARG A 10 -3.201 7.183 -5.884 1.00 0.00 N ATOM 129 CA ARG A 10 -4.577 7.258 -5.402 1.00 0.00 C ATOM 130 C ARG A 10 -5.256 5.897 -5.522 1.00 0.00 C ATOM 131 O ARG A 10 -5.260 5.285 -6.594 1.00 0.00 O ATOM 132 CB ARG A 10 -5.361 8.306 -6.194 1.00 0.00 C ATOM 133 CG ARG A 10 -6.782 8.507 -5.697 1.00 0.00 C ATOM 134 CD ARG A 10 -7.579 9.402 -6.632 1.00 0.00 C ATOM 135 NE ARG A 10 -8.995 9.047 -6.656 1.00 0.00 N ATOM 136 CZ ARG A 10 -9.947 9.826 -7.168 1.00 0.00 C ATOM 137 NH1 ARG A 10 -9.637 11.002 -7.699 1.00 0.00 N ATOM 138 NH2 ARG A 10 -11.211 9.427 -7.149 1.00 0.00 N ATOM 0 H ARG A 10 -3.102 7.304 -6.892 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.560 7.551 -4.352 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.830 9.257 -6.146 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.390 8.010 -7.243 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.277 7.540 -5.608 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.761 8.948 -4.700 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.471 10.440 -6.319 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.170 9.329 -7.640 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.272 8.150 -6.257 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.666 11.314 -7.717 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.370 11.594 -8.090 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -11.455 8.524 -6.742 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.940 10.023 -7.541 1.00 0.00 H new ATOM 152 N ALA A 11 -5.825 5.422 -4.419 1.00 0.00 N ATOM 153 CA ALA A 11 -6.492 4.127 -4.407 1.00 0.00 C ATOM 154 C ALA A 11 -7.291 3.935 -3.126 1.00 0.00 C ATOM 155 O ALA A 11 -7.364 4.831 -2.289 1.00 0.00 O ATOM 156 CB ALA A 11 -5.466 3.011 -4.559 1.00 0.00 C ATOM 0 H ALA A 11 -5.837 5.913 -3.525 1.00 0.00 H new ATOM 0 HA ALA A 11 -7.186 4.092 -5.247 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.973 2.046 -4.549 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.934 3.132 -5.503 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.755 3.056 -3.734 1.00 0.00 H new ATOM 162 N THR A 12 -7.882 2.757 -2.976 1.00 0.00 N ATOM 163 CA THR A 12 -8.670 2.442 -1.793 1.00 0.00 C ATOM 164 C THR A 12 -8.072 1.245 -1.070 1.00 0.00 C ATOM 165 O THR A 12 -8.344 0.096 -1.420 1.00 0.00 O ATOM 166 CB THR A 12 -10.122 2.151 -2.178 1.00 0.00 C ATOM 167 OG1 THR A 12 -10.517 2.949 -3.280 1.00 0.00 O ATOM 168 CG2 THR A 12 -11.100 2.403 -1.053 1.00 0.00 C ATOM 0 H THR A 12 -7.830 2.003 -3.661 1.00 0.00 H new ATOM 0 HA THR A 12 -8.654 3.304 -1.126 1.00 0.00 H new ATOM 0 HB THR A 12 -10.149 1.091 -2.429 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.133 3.846 -3.189 1.00 0.00 H new ATOM 0 HG21 THR A 12 -12.111 2.177 -1.392 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.851 1.765 -0.205 1.00 0.00 H new ATOM 0 HG23 THR A 12 -11.044 3.448 -0.750 1.00 0.00 H new ATOM 176 N VAL A 13 -7.246 1.520 -0.062 1.00 0.00 N ATOM 177 CA VAL A 13 -6.599 0.463 0.706 1.00 0.00 C ATOM 178 C VAL A 13 -7.588 -0.641 1.067 1.00 0.00 C ATOM 179 O VAL A 13 -8.796 -0.414 1.140 1.00 0.00 O ATOM 180 CB VAL A 13 -5.931 1.022 1.982 1.00 0.00 C ATOM 181 CG1 VAL A 13 -5.550 -0.097 2.944 1.00 0.00 C ATOM 182 CG2 VAL A 13 -4.706 1.844 1.611 1.00 0.00 C ATOM 0 H VAL A 13 -7.011 2.465 0.240 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.821 0.035 0.074 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.651 1.664 2.489 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.082 0.330 3.831 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.445 -0.648 3.234 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.850 -0.774 2.455 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.242 2.234 2.517 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.992 1.214 1.080 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.005 2.674 0.970 1.00 0.00 H new ATOM 192 N MET A 14 -7.060 -1.838 1.275 1.00 0.00 N ATOM 193 CA MET A 14 -7.877 -2.991 1.609 1.00 0.00 C ATOM 194 C MET A 14 -7.056 -4.018 2.383 1.00 0.00 C ATOM 195 O MET A 14 -5.844 -4.114 2.205 1.00 0.00 O ATOM 196 CB MET A 14 -8.446 -3.622 0.330 1.00 0.00 C ATOM 197 CG MET A 14 -9.735 -4.393 0.558 1.00 0.00 C ATOM 198 SD MET A 14 -10.961 -4.099 -0.732 1.00 0.00 S ATOM 199 CE MET A 14 -12.429 -3.816 0.255 1.00 0.00 C ATOM 0 H MET A 14 -6.061 -2.035 1.217 1.00 0.00 H new ATOM 0 HA MET A 14 -8.704 -2.663 2.238 1.00 0.00 H new ATOM 0 HB2 MET A 14 -8.626 -2.837 -0.404 1.00 0.00 H new ATOM 0 HB3 MET A 14 -7.701 -4.293 -0.097 1.00 0.00 H new ATOM 0 HG2 MET A 14 -9.512 -5.459 0.605 1.00 0.00 H new ATOM 0 HG3 MET A 14 -10.155 -4.112 1.524 1.00 0.00 H new ATOM 0 HE1 MET A 14 -13.178 -3.300 -0.346 1.00 0.00 H new ATOM 0 HE2 MET A 14 -12.831 -4.772 0.592 1.00 0.00 H new ATOM 0 HE3 MET A 14 -12.173 -3.204 1.120 1.00 0.00 H new ATOM 209 N LEU A 15 -7.720 -4.783 3.241 1.00 0.00 N ATOM 210 CA LEU A 15 -7.044 -5.803 4.037 1.00 0.00 C ATOM 211 C LEU A 15 -7.732 -7.154 3.873 1.00 0.00 C ATOM 212 O LEU A 15 -8.858 -7.344 4.329 1.00 0.00 O ATOM 213 CB LEU A 15 -7.017 -5.401 5.518 1.00 0.00 C ATOM 214 CG LEU A 15 -5.623 -5.184 6.117 1.00 0.00 C ATOM 215 CD1 LEU A 15 -5.691 -5.181 7.637 1.00 0.00 C ATOM 216 CD2 LEU A 15 -4.651 -6.249 5.633 1.00 0.00 C ATOM 0 H LEU A 15 -8.725 -4.717 3.404 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.018 -5.889 3.680 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.592 -4.483 5.638 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.525 -6.173 6.095 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.259 -4.213 5.782 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.692 -5.026 8.046 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.348 -4.378 7.970 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.081 -6.137 7.986 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.669 -6.072 6.072 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.011 -7.233 5.933 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.575 -6.206 4.547 1.00 0.00 H new ATOM 228 N TYR A 16 -7.054 -8.085 3.213 1.00 0.00 N ATOM 229 CA TYR A 16 -7.611 -9.412 2.982 1.00 0.00 C ATOM 230 C TYR A 16 -7.668 -10.233 4.262 1.00 0.00 C ATOM 231 O TYR A 16 -6.841 -10.071 5.160 1.00 0.00 O ATOM 232 CB TYR A 16 -6.797 -10.165 1.932 1.00 0.00 C ATOM 233 CG TYR A 16 -7.583 -11.252 1.240 1.00 0.00 C ATOM 234 CD1 TYR A 16 -8.341 -10.974 0.109 1.00 0.00 C ATOM 235 CD2 TYR A 16 -7.573 -12.555 1.721 1.00 0.00 C ATOM 236 CE1 TYR A 16 -9.069 -11.963 -0.522 1.00 0.00 C ATOM 237 CE2 TYR A 16 -8.295 -13.551 1.097 1.00 0.00 C ATOM 238 CZ TYR A 16 -9.042 -13.251 -0.025 1.00 0.00 C ATOM 239 OH TYR A 16 -9.764 -14.241 -0.652 1.00 0.00 O ATOM 0 H TYR A 16 -6.119 -7.946 2.829 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.629 -9.270 2.620 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.433 -9.457 1.187 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.921 -10.605 2.408 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.361 -9.968 -0.283 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.990 -12.792 2.599 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -9.656 -11.731 -1.399 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.276 -14.559 1.484 1.00 0.00 H new ATOM 0 HH TYR A 16 -9.455 -14.335 -1.577 1.00 0.00 H new ATOM 249 N ASP A 17 -8.648 -11.127 4.324 1.00 0.00 N ATOM 250 CA ASP A 17 -8.826 -11.999 5.476 1.00 0.00 C ATOM 251 C ASP A 17 -8.765 -13.460 5.043 1.00 0.00 C ATOM 252 O ASP A 17 -9.787 -14.069 4.731 1.00 0.00 O ATOM 253 CB ASP A 17 -10.161 -11.710 6.163 1.00 0.00 C ATOM 254 CG ASP A 17 -10.100 -11.928 7.663 1.00 0.00 C ATOM 255 OD1 ASP A 17 -10.216 -13.092 8.099 1.00 0.00 O ATOM 256 OD2 ASP A 17 -9.934 -10.933 8.401 1.00 0.00 O ATOM 0 H ASP A 17 -9.335 -11.266 3.583 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.021 -11.806 6.185 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.455 -10.680 5.960 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.932 -12.352 5.737 1.00 0.00 H new ATOM 261 N ASP A 18 -7.554 -14.015 5.019 1.00 0.00 N ATOM 262 CA ASP A 18 -7.353 -15.404 4.614 1.00 0.00 C ATOM 263 C ASP A 18 -8.239 -16.354 5.415 1.00 0.00 C ATOM 264 O ASP A 18 -8.524 -17.469 4.977 1.00 0.00 O ATOM 265 CB ASP A 18 -5.883 -15.795 4.782 1.00 0.00 C ATOM 266 CG ASP A 18 -5.433 -15.746 6.230 1.00 0.00 C ATOM 267 OD1 ASP A 18 -6.050 -16.436 7.067 1.00 0.00 O ATOM 268 OD2 ASP A 18 -4.462 -15.018 6.525 1.00 0.00 O ATOM 0 H ASP A 18 -6.698 -13.523 5.275 1.00 0.00 H new ATOM 0 HA ASP A 18 -7.632 -15.488 3.564 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.731 -16.801 4.391 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -5.261 -15.125 4.188 1.00 0.00 H new ATOM 273 N GLY A 19 -8.675 -15.907 6.589 1.00 0.00 N ATOM 274 CA GLY A 19 -9.526 -16.733 7.430 1.00 0.00 C ATOM 275 C GLY A 19 -10.760 -17.223 6.699 1.00 0.00 C ATOM 276 O GLY A 19 -11.126 -18.394 6.800 1.00 0.00 O ATOM 0 H GLY A 19 -8.455 -14.988 6.974 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.956 -17.590 7.789 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.830 -16.162 8.307 1.00 0.00 H new ATOM 280 N ASN A 20 -11.398 -16.326 5.956 1.00 0.00 N ATOM 281 CA ASN A 20 -12.596 -16.671 5.200 1.00 0.00 C ATOM 282 C ASN A 20 -12.466 -16.238 3.740 1.00 0.00 C ATOM 283 O ASN A 20 -13.457 -16.167 3.014 1.00 0.00 O ATOM 284 CB ASN A 20 -13.827 -16.015 5.829 1.00 0.00 C ATOM 285 CG ASN A 20 -14.147 -16.580 7.199 1.00 0.00 C ATOM 286 OD1 ASN A 20 -14.837 -17.592 7.321 1.00 0.00 O ATOM 287 ND2 ASN A 20 -13.645 -15.926 8.240 1.00 0.00 N ATOM 0 H ASN A 20 -11.105 -15.354 5.861 1.00 0.00 H new ATOM 0 HA ASN A 20 -12.713 -17.754 5.229 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -13.660 -14.941 5.912 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -14.685 -16.155 5.172 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -13.826 -16.259 9.187 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -13.078 -15.091 8.093 1.00 0.00 H new ATOM 294 N LYS A 21 -11.236 -15.949 3.316 1.00 0.00 N ATOM 295 CA LYS A 21 -10.976 -15.521 1.945 1.00 0.00 C ATOM 296 C LYS A 21 -11.900 -14.376 1.541 1.00 0.00 C ATOM 297 O LYS A 21 -12.980 -14.600 0.994 1.00 0.00 O ATOM 298 CB LYS A 21 -11.142 -16.696 0.981 1.00 0.00 C ATOM 299 CG LYS A 21 -9.839 -17.420 0.674 1.00 0.00 C ATOM 300 CD LYS A 21 -9.304 -17.050 -0.700 1.00 0.00 C ATOM 301 CE LYS A 21 -8.517 -18.194 -1.317 1.00 0.00 C ATOM 302 NZ LYS A 21 -7.430 -17.705 -2.210 1.00 0.00 N ATOM 0 H LYS A 21 -10.404 -16.004 3.904 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.948 -15.162 1.894 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.851 -17.406 1.406 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.574 -16.332 0.049 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.097 -17.172 1.433 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.000 -18.497 0.725 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.133 -16.783 -1.355 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.666 -16.170 -0.618 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.087 -18.807 -0.525 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.192 -18.834 -1.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.918 -18.517 -2.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.841 -17.141 -2.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.771 -17.115 -1.663 1.00 0.00 H new ATOM 316 N ARG A 22 -11.468 -13.149 1.817 1.00 0.00 N ATOM 317 CA ARG A 22 -12.257 -11.968 1.485 1.00 0.00 C ATOM 318 C ARG A 22 -11.537 -10.694 1.912 1.00 0.00 C ATOM 319 O ARG A 22 -10.827 -10.678 2.918 1.00 0.00 O ATOM 320 CB ARG A 22 -13.628 -12.039 2.162 1.00 0.00 C ATOM 321 CG ARG A 22 -13.571 -12.531 3.600 1.00 0.00 C ATOM 322 CD ARG A 22 -14.496 -11.730 4.504 1.00 0.00 C ATOM 323 NE ARG A 22 -15.782 -12.397 4.702 1.00 0.00 N ATOM 324 CZ ARG A 22 -16.847 -12.213 3.923 1.00 0.00 C ATOM 325 NH1 ARG A 22 -16.790 -11.383 2.888 1.00 0.00 N ATOM 326 NH2 ARG A 22 -17.974 -12.862 4.180 1.00 0.00 N ATOM 0 H ARG A 22 -10.576 -12.947 2.269 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.391 -11.945 0.403 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.085 -11.050 2.143 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.275 -12.700 1.586 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.849 -13.584 3.636 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -12.548 -12.459 3.969 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.015 -11.576 5.470 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.662 -10.744 4.070 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.869 -13.044 5.486 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.926 -10.880 2.684 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -17.610 -11.248 2.297 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -18.025 -13.501 4.973 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -18.790 -12.722 3.585 1.00 0.00 H new ATOM 340 N TRP A 23 -11.729 -9.624 1.146 1.00 0.00 N ATOM 341 CA TRP A 23 -11.101 -8.345 1.454 1.00 0.00 C ATOM 342 C TRP A 23 -11.696 -7.746 2.725 1.00 0.00 C ATOM 343 O TRP A 23 -12.708 -8.227 3.234 1.00 0.00 O ATOM 344 CB TRP A 23 -11.279 -7.366 0.291 1.00 0.00 C ATOM 345 CG TRP A 23 -10.250 -7.516 -0.791 1.00 0.00 C ATOM 346 CD1 TRP A 23 -10.492 -7.709 -2.118 1.00 0.00 C ATOM 347 CD2 TRP A 23 -8.824 -7.477 -0.648 1.00 0.00 C ATOM 348 NE1 TRP A 23 -9.310 -7.806 -2.809 1.00 0.00 N ATOM 349 CE2 TRP A 23 -8.272 -7.664 -1.930 1.00 0.00 C ATOM 350 CE3 TRP A 23 -7.959 -7.304 0.436 1.00 0.00 C ATOM 351 CZ2 TRP A 23 -6.898 -7.684 -2.156 1.00 0.00 C ATOM 352 CZ3 TRP A 23 -6.595 -7.322 0.209 1.00 0.00 C ATOM 353 CH2 TRP A 23 -6.076 -7.511 -1.078 1.00 0.00 C ATOM 0 H TRP A 23 -12.313 -9.618 0.310 1.00 0.00 H new ATOM 0 HA TRP A 23 -10.037 -8.521 1.611 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -12.270 -7.506 -0.141 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -11.241 -6.347 0.677 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -11.474 -7.776 -2.563 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -9.220 -7.959 -3.813 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -8.349 -7.159 1.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -6.496 -7.831 -3.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -5.918 -7.188 1.039 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -5.006 -7.520 -1.221 1.00 0.00 H new ATOM 364 N LEU A 24 -11.062 -6.695 3.228 1.00 0.00 N ATOM 365 CA LEU A 24 -11.526 -6.025 4.437 1.00 0.00 C ATOM 366 C LEU A 24 -10.855 -4.659 4.581 1.00 0.00 C ATOM 367 O LEU A 24 -9.652 -4.578 4.818 1.00 0.00 O ATOM 368 CB LEU A 24 -11.233 -6.889 5.667 1.00 0.00 C ATOM 369 CG LEU A 24 -12.452 -7.229 6.529 1.00 0.00 C ATOM 370 CD1 LEU A 24 -12.027 -7.979 7.781 1.00 0.00 C ATOM 371 CD2 LEU A 24 -13.216 -5.965 6.896 1.00 0.00 C ATOM 0 H LEU A 24 -10.223 -6.287 2.817 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.603 -5.877 4.360 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.771 -7.819 5.336 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.501 -6.373 6.288 1.00 0.00 H new ATOM 0 HG LEU A 24 -13.113 -7.874 5.950 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -12.906 -8.212 8.381 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.525 -8.904 7.498 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.345 -7.359 8.362 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -14.079 -6.226 7.509 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.563 -5.295 7.456 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.554 -5.467 5.987 1.00 0.00 H new ATOM 383 N PRO A 25 -11.626 -3.564 4.439 1.00 0.00 N ATOM 384 CA PRO A 25 -11.099 -2.201 4.547 1.00 0.00 C ATOM 385 C PRO A 25 -10.071 -2.046 5.667 1.00 0.00 C ATOM 386 O PRO A 25 -10.426 -1.843 6.828 1.00 0.00 O ATOM 387 CB PRO A 25 -12.350 -1.382 4.847 1.00 0.00 C ATOM 388 CG PRO A 25 -13.441 -2.102 4.131 1.00 0.00 C ATOM 389 CD PRO A 25 -13.076 -3.565 4.157 1.00 0.00 C ATOM 0 HA PRO A 25 -10.566 -1.894 3.647 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.544 -1.330 5.918 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -12.249 -0.357 4.491 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -14.402 -1.933 4.617 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -13.535 -1.744 3.106 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.632 -4.102 4.925 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -13.298 -4.049 3.206 1.00 0.00 H new ATOM 397 N ALA A 26 -8.792 -2.143 5.304 1.00 0.00 N ATOM 398 CA ALA A 26 -7.707 -2.015 6.271 1.00 0.00 C ATOM 399 C ALA A 26 -7.861 -0.754 7.116 1.00 0.00 C ATOM 400 O ALA A 26 -7.540 -0.747 8.304 1.00 0.00 O ATOM 401 CB ALA A 26 -6.365 -2.009 5.556 1.00 0.00 C ATOM 0 H ALA A 26 -8.484 -2.310 4.346 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.751 -2.874 6.941 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.563 -1.913 6.288 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.243 -2.941 5.004 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.326 -1.169 4.863 1.00 0.00 H new ATOM 407 N GLY A 27 -8.356 0.309 6.491 1.00 0.00 N ATOM 408 CA GLY A 27 -8.549 1.569 7.190 1.00 0.00 C ATOM 409 C GLY A 27 -9.262 1.401 8.520 1.00 0.00 C ATOM 410 O GLY A 27 -8.631 1.111 9.536 1.00 0.00 O ATOM 0 H GLY A 27 -8.629 0.321 5.508 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.579 2.037 7.359 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.124 2.246 6.558 1.00 0.00 H new ATOM 414 N THR A 28 -10.579 1.585 8.515 1.00 0.00 N ATOM 415 CA THR A 28 -11.368 1.452 9.735 1.00 0.00 C ATOM 416 C THR A 28 -12.862 1.559 9.446 1.00 0.00 C ATOM 417 O THR A 28 -13.669 0.827 10.019 1.00 0.00 O ATOM 418 CB THR A 28 -10.957 2.518 10.751 1.00 0.00 C ATOM 419 OG1 THR A 28 -11.799 2.476 11.890 1.00 0.00 O ATOM 420 CG2 THR A 28 -11.006 3.925 10.196 1.00 0.00 C ATOM 0 H THR A 28 -11.120 1.825 7.684 1.00 0.00 H new ATOM 0 HA THR A 28 -11.173 0.464 10.151 1.00 0.00 H new ATOM 0 HB THR A 28 -9.925 2.284 11.013 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.519 3.164 12.529 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.703 4.632 10.969 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.329 4.004 9.345 1.00 0.00 H new ATOM 0 HG23 THR A 28 -12.022 4.154 9.874 1.00 0.00 H new ATOM 428 N GLY A 29 -13.226 2.477 8.558 1.00 0.00 N ATOM 429 CA GLY A 29 -14.625 2.662 8.219 1.00 0.00 C ATOM 430 C GLY A 29 -14.827 3.149 6.794 1.00 0.00 C ATOM 431 O GLY A 29 -14.880 2.344 5.864 1.00 0.00 O ATOM 0 H GLY A 29 -12.579 3.095 8.068 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -15.154 1.719 8.354 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.070 3.379 8.909 1.00 0.00 H new ATOM 435 N PRO A 30 -14.950 4.473 6.589 1.00 0.00 N ATOM 436 CA PRO A 30 -15.152 5.054 5.257 1.00 0.00 C ATOM 437 C PRO A 30 -14.196 4.477 4.218 1.00 0.00 C ATOM 438 O PRO A 30 -13.171 3.889 4.562 1.00 0.00 O ATOM 439 CB PRO A 30 -14.871 6.539 5.479 1.00 0.00 C ATOM 440 CG PRO A 30 -15.232 6.780 6.903 1.00 0.00 C ATOM 441 CD PRO A 30 -14.902 5.509 7.640 1.00 0.00 C ATOM 0 HA PRO A 30 -16.148 4.846 4.866 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -13.824 6.777 5.289 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -15.466 7.160 4.809 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -14.672 7.622 7.309 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -16.290 7.023 7.001 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -13.918 5.561 8.107 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.621 5.308 8.434 1.00 0.00 H new ATOM 449 N GLN A 31 -14.538 4.650 2.945 1.00 0.00 N ATOM 450 CA GLN A 31 -13.708 4.144 1.857 1.00 0.00 C ATOM 451 C GLN A 31 -13.702 5.106 0.676 1.00 0.00 C ATOM 452 O GLN A 31 -14.022 4.729 -0.452 1.00 0.00 O ATOM 453 CB GLN A 31 -14.197 2.768 1.413 1.00 0.00 C ATOM 454 CG GLN A 31 -13.677 1.639 2.281 1.00 0.00 C ATOM 455 CD GLN A 31 -14.268 0.293 1.907 1.00 0.00 C ATOM 456 OE1 GLN A 31 -15.291 -0.121 2.452 1.00 0.00 O ATOM 457 NE2 GLN A 31 -13.624 -0.398 0.974 1.00 0.00 N ATOM 0 H GLN A 31 -15.382 5.136 2.642 1.00 0.00 H new ATOM 0 HA GLN A 31 -12.686 4.055 2.227 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.287 2.755 1.427 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.889 2.596 0.382 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -12.591 1.591 2.196 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -13.905 1.854 3.325 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.779 -0.016 0.549 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -13.974 -1.311 0.683 1.00 0.00 H new ATOM 466 N ALA A 32 -13.325 6.348 0.943 1.00 0.00 N ATOM 467 CA ALA A 32 -13.261 7.371 -0.095 1.00 0.00 C ATOM 468 C ALA A 32 -11.845 7.479 -0.646 1.00 0.00 C ATOM 469 O ALA A 32 -11.295 8.573 -0.771 1.00 0.00 O ATOM 470 CB ALA A 32 -13.726 8.712 0.455 1.00 0.00 C ATOM 0 H ALA A 32 -13.058 6.674 1.872 1.00 0.00 H new ATOM 0 HA ALA A 32 -13.926 7.084 -0.910 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.673 9.466 -0.331 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.755 8.625 0.805 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -13.084 9.007 1.285 1.00 0.00 H new ATOM 476 N PHE A 33 -11.256 6.329 -0.960 1.00 0.00 N ATOM 477 CA PHE A 33 -9.897 6.281 -1.482 1.00 0.00 C ATOM 478 C PHE A 33 -8.918 6.875 -0.480 1.00 0.00 C ATOM 479 O PHE A 33 -9.316 7.369 0.574 1.00 0.00 O ATOM 480 CB PHE A 33 -9.790 7.029 -2.812 1.00 0.00 C ATOM 481 CG PHE A 33 -10.276 6.234 -3.988 1.00 0.00 C ATOM 482 CD1 PHE A 33 -11.631 6.075 -4.223 1.00 0.00 C ATOM 483 CD2 PHE A 33 -9.374 5.646 -4.856 1.00 0.00 C ATOM 484 CE1 PHE A 33 -12.077 5.341 -5.306 1.00 0.00 C ATOM 485 CE2 PHE A 33 -9.812 4.912 -5.940 1.00 0.00 C ATOM 486 CZ PHE A 33 -11.166 4.759 -6.166 1.00 0.00 C ATOM 0 H PHE A 33 -11.701 5.417 -0.861 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.645 5.234 -1.651 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -10.364 7.953 -2.747 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.750 7.310 -2.979 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -12.347 6.529 -3.554 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.314 5.762 -4.684 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -13.136 5.223 -5.480 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -9.097 4.458 -6.610 1.00 0.00 H new ATOM 0 HZ PHE A 33 -11.512 4.186 -7.013 1.00 0.00 H new ATOM 496 N SER A 34 -7.639 6.822 -0.816 1.00 0.00 N ATOM 497 CA SER A 34 -6.598 7.351 0.051 1.00 0.00 C ATOM 498 C SER A 34 -5.284 7.488 -0.707 1.00 0.00 C ATOM 499 O SER A 34 -5.002 6.718 -1.625 1.00 0.00 O ATOM 500 CB SER A 34 -6.402 6.435 1.261 1.00 0.00 C ATOM 501 OG SER A 34 -7.635 6.158 1.901 1.00 0.00 O ATOM 0 H SER A 34 -7.296 6.416 -1.687 1.00 0.00 H new ATOM 0 HA SER A 34 -6.909 8.338 0.394 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.937 5.502 0.942 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.720 6.905 1.969 1.00 0.00 H new ATOM 0 HG SER A 34 -8.295 6.836 1.646 1.00 0.00 H new ATOM 507 N ARG A 35 -4.477 8.462 -0.309 1.00 0.00 N ATOM 508 CA ARG A 35 -3.185 8.689 -0.942 1.00 0.00 C ATOM 509 C ARG A 35 -2.097 7.953 -0.173 1.00 0.00 C ATOM 510 O ARG A 35 -1.677 8.390 0.899 1.00 0.00 O ATOM 511 CB ARG A 35 -2.870 10.186 -0.998 1.00 0.00 C ATOM 512 CG ARG A 35 -2.055 10.591 -2.215 1.00 0.00 C ATOM 513 CD ARG A 35 -2.949 10.928 -3.396 1.00 0.00 C ATOM 514 NE ARG A 35 -2.434 12.058 -4.167 1.00 0.00 N ATOM 515 CZ ARG A 35 -2.949 12.459 -5.327 1.00 0.00 C ATOM 516 NH1 ARG A 35 -3.991 11.828 -5.853 1.00 0.00 N ATOM 517 NH2 ARG A 35 -2.420 13.496 -5.962 1.00 0.00 N ATOM 0 H ARG A 35 -4.694 9.108 0.450 1.00 0.00 H new ATOM 0 HA ARG A 35 -3.223 8.307 -1.962 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.805 10.746 -0.995 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.326 10.468 -0.097 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.435 11.453 -1.969 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.379 9.780 -2.488 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.037 10.056 -4.045 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.952 11.161 -3.037 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.634 12.569 -3.794 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.402 11.030 -5.368 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.381 12.141 -6.742 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.620 13.985 -5.561 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.814 13.804 -6.851 1.00 0.00 H new ATOM 531 N VAL A 36 -1.655 6.822 -0.713 1.00 0.00 N ATOM 532 CA VAL A 36 -0.631 6.022 -0.055 1.00 0.00 C ATOM 533 C VAL A 36 0.755 6.281 -0.628 1.00 0.00 C ATOM 534 O VAL A 36 1.021 6.022 -1.800 1.00 0.00 O ATOM 535 CB VAL A 36 -0.940 4.515 -0.144 1.00 0.00 C ATOM 536 CG1 VAL A 36 0.058 3.716 0.682 1.00 0.00 C ATOM 537 CG2 VAL A 36 -2.360 4.236 0.318 1.00 0.00 C ATOM 0 H VAL A 36 -1.988 6.441 -1.599 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.639 6.327 0.991 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.850 4.205 -1.185 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.176 2.654 0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.066 3.893 0.306 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.000 4.028 1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.562 3.167 0.249 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.477 4.561 1.352 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.062 4.779 -0.315 1.00 0.00 H new ATOM 547 N GLN A 37 1.633 6.780 0.230 1.00 0.00 N ATOM 548 CA GLN A 37 3.007 7.066 -0.145 1.00 0.00 C ATOM 549 C GLN A 37 3.932 6.038 0.495 1.00 0.00 C ATOM 550 O GLN A 37 3.614 5.487 1.549 1.00 0.00 O ATOM 551 CB GLN A 37 3.383 8.477 0.304 1.00 0.00 C ATOM 552 CG GLN A 37 2.843 9.565 -0.607 1.00 0.00 C ATOM 553 CD GLN A 37 3.514 10.905 -0.385 1.00 0.00 C ATOM 554 OE1 GLN A 37 3.314 11.552 0.642 1.00 0.00 O ATOM 555 NE2 GLN A 37 4.317 11.330 -1.354 1.00 0.00 N ATOM 0 H GLN A 37 1.413 6.997 1.202 1.00 0.00 H new ATOM 0 HA GLN A 37 3.110 7.008 -1.229 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.008 8.641 1.314 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.469 8.558 0.350 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.979 9.263 -1.646 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.770 9.670 -0.444 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.454 10.761 -2.189 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.797 12.226 -1.263 1.00 0.00 H new ATOM 564 N ILE A 38 5.067 5.767 -0.138 1.00 0.00 N ATOM 565 CA ILE A 38 6.002 4.791 0.396 1.00 0.00 C ATOM 566 C ILE A 38 7.113 5.474 1.174 1.00 0.00 C ATOM 567 O ILE A 38 7.424 6.639 0.934 1.00 0.00 O ATOM 568 CB ILE A 38 6.603 3.924 -0.725 1.00 0.00 C ATOM 569 CG1 ILE A 38 5.483 3.228 -1.499 1.00 0.00 C ATOM 570 CG2 ILE A 38 7.574 2.900 -0.152 1.00 0.00 C ATOM 571 CD1 ILE A 38 5.981 2.328 -2.604 1.00 0.00 C ATOM 0 H ILE A 38 5.358 6.205 -1.012 1.00 0.00 H new ATOM 0 HA ILE A 38 5.446 4.143 1.073 1.00 0.00 H new ATOM 0 HB ILE A 38 7.157 4.568 -1.408 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.884 2.639 -0.804 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.824 3.984 -1.926 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.987 2.298 -0.961 1.00 0.00 H new ATOM 0 HG22 ILE A 38 8.383 3.416 0.366 1.00 0.00 H new ATOM 0 HG23 ILE A 38 7.048 2.253 0.550 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.132 1.868 -3.109 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.555 2.915 -3.321 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.616 1.550 -2.181 1.00 0.00 H new ATOM 583 N TYR A 39 7.702 4.746 2.112 1.00 0.00 N ATOM 584 CA TYR A 39 8.774 5.287 2.935 1.00 0.00 C ATOM 585 C TYR A 39 10.075 4.525 2.714 1.00 0.00 C ATOM 586 O TYR A 39 10.138 3.311 2.911 1.00 0.00 O ATOM 587 CB TYR A 39 8.375 5.237 4.407 1.00 0.00 C ATOM 588 CG TYR A 39 7.582 6.444 4.851 1.00 0.00 C ATOM 589 CD1 TYR A 39 6.438 6.838 4.168 1.00 0.00 C ATOM 590 CD2 TYR A 39 7.984 7.195 5.945 1.00 0.00 C ATOM 591 CE1 TYR A 39 5.718 7.946 4.564 1.00 0.00 C ATOM 592 CE2 TYR A 39 7.269 8.305 6.349 1.00 0.00 C ATOM 593 CZ TYR A 39 6.137 8.678 5.656 1.00 0.00 C ATOM 594 OH TYR A 39 5.422 9.785 6.055 1.00 0.00 O ATOM 0 H TYR A 39 7.455 3.779 2.322 1.00 0.00 H new ATOM 0 HA TYR A 39 8.939 6.324 2.643 1.00 0.00 H new ATOM 0 HB2 TYR A 39 7.786 4.338 4.587 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.274 5.157 5.018 1.00 0.00 H new ATOM 0 HD1 TYR A 39 6.107 6.267 3.313 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.871 6.907 6.490 1.00 0.00 H new ATOM 0 HE1 TYR A 39 4.831 8.239 4.022 1.00 0.00 H new ATOM 0 HE2 TYR A 39 7.595 8.878 7.204 1.00 0.00 H new ATOM 0 HH TYR A 39 5.851 10.186 6.840 1.00 0.00 H new ATOM 604 N HIS A 40 11.111 5.248 2.304 1.00 0.00 N ATOM 605 CA HIS A 40 12.412 4.644 2.056 1.00 0.00 C ATOM 606 C HIS A 40 13.355 4.873 3.233 1.00 0.00 C ATOM 607 O HIS A 40 14.089 5.858 3.268 1.00 0.00 O ATOM 608 CB HIS A 40 13.027 5.211 0.772 1.00 0.00 C ATOM 609 CG HIS A 40 14.340 4.588 0.408 1.00 0.00 C ATOM 610 ND1 HIS A 40 14.619 4.104 -0.853 1.00 0.00 N ATOM 611 CD2 HIS A 40 15.455 4.371 1.147 1.00 0.00 C ATOM 612 CE1 HIS A 40 15.847 3.615 -0.874 1.00 0.00 C ATOM 613 NE2 HIS A 40 16.375 3.766 0.327 1.00 0.00 N ATOM 0 H HIS A 40 11.074 6.253 2.137 1.00 0.00 H new ATOM 0 HA HIS A 40 12.268 3.570 1.936 1.00 0.00 H new ATOM 0 HB2 HIS A 40 12.326 5.067 -0.050 1.00 0.00 H new ATOM 0 HB3 HIS A 40 13.165 6.286 0.889 1.00 0.00 H new ATOM 0 HD2 HIS A 40 15.594 4.626 2.187 1.00 0.00 H new ATOM 0 HE1 HIS A 40 16.335 3.168 -1.728 1.00 0.00 H new ATOM 0 HE2 HIS A 40 17.315 3.479 0.601 1.00 0.00 H new ATOM 622 N ASN A 41 13.331 3.949 4.193 1.00 0.00 N ATOM 623 CA ASN A 41 14.189 4.038 5.370 1.00 0.00 C ATOM 624 C ASN A 41 15.449 3.198 5.176 1.00 0.00 C ATOM 625 O ASN A 41 15.413 1.977 5.322 1.00 0.00 O ATOM 626 CB ASN A 41 13.443 3.552 6.614 1.00 0.00 C ATOM 627 CG ASN A 41 12.354 4.510 7.050 1.00 0.00 C ATOM 628 OD1 ASN A 41 12.437 5.115 8.119 1.00 0.00 O ATOM 629 ND2 ASN A 41 11.323 4.649 6.225 1.00 0.00 N ATOM 0 H ASN A 41 12.725 3.129 4.177 1.00 0.00 H new ATOM 0 HA ASN A 41 14.470 5.082 5.505 1.00 0.00 H new ATOM 0 HB2 ASN A 41 13.003 2.575 6.411 1.00 0.00 H new ATOM 0 HB3 ASN A 41 14.153 3.419 7.430 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.557 5.278 6.467 1.00 0.00 H new ATOM 0 HD22 ASN A 41 11.297 4.127 5.349 1.00 0.00 H new ATOM 636 N PRO A 42 16.584 3.834 4.836 1.00 0.00 N ATOM 637 CA PRO A 42 17.842 3.123 4.621 1.00 0.00 C ATOM 638 C PRO A 42 18.573 2.814 5.923 1.00 0.00 C ATOM 639 O PRO A 42 19.396 1.901 5.978 1.00 0.00 O ATOM 640 CB PRO A 42 18.643 4.109 3.786 1.00 0.00 C ATOM 641 CG PRO A 42 18.190 5.446 4.265 1.00 0.00 C ATOM 642 CD PRO A 42 16.735 5.288 4.629 1.00 0.00 C ATOM 0 HA PRO A 42 17.691 2.152 4.150 1.00 0.00 H new ATOM 0 HB2 PRO A 42 19.715 3.976 3.932 1.00 0.00 H new ATOM 0 HB3 PRO A 42 18.448 3.980 2.721 1.00 0.00 H new ATOM 0 HG2 PRO A 42 18.774 5.770 5.126 1.00 0.00 H new ATOM 0 HG3 PRO A 42 18.318 6.202 3.490 1.00 0.00 H new ATOM 0 HD2 PRO A 42 16.484 5.849 5.529 1.00 0.00 H new ATOM 0 HD3 PRO A 42 16.082 5.650 3.835 1.00 0.00 H new ATOM 650 N THR A 43 18.267 3.573 6.972 1.00 0.00 N ATOM 651 CA THR A 43 18.897 3.369 8.274 1.00 0.00 C ATOM 652 C THR A 43 18.819 1.902 8.688 1.00 0.00 C ATOM 653 O THR A 43 19.666 1.410 9.435 1.00 0.00 O ATOM 654 CB THR A 43 18.226 4.244 9.333 1.00 0.00 C ATOM 655 OG1 THR A 43 16.860 3.901 9.474 1.00 0.00 O ATOM 656 CG2 THR A 43 18.298 5.722 9.020 1.00 0.00 C ATOM 0 H THR A 43 17.588 4.334 6.946 1.00 0.00 H new ATOM 0 HA THR A 43 19.946 3.653 8.191 1.00 0.00 H new ATOM 0 HB THR A 43 18.777 4.057 10.255 1.00 0.00 H new ATOM 0 HG1 THR A 43 16.449 4.471 10.157 1.00 0.00 H new ATOM 0 HG21 THR A 43 17.803 6.286 9.811 1.00 0.00 H new ATOM 0 HG22 THR A 43 19.342 6.029 8.953 1.00 0.00 H new ATOM 0 HG23 THR A 43 17.801 5.917 8.070 1.00 0.00 H new ATOM 664 N ALA A 44 17.798 1.210 8.192 1.00 0.00 N ATOM 665 CA ALA A 44 17.606 -0.200 8.502 1.00 0.00 C ATOM 666 C ALA A 44 17.450 -1.036 7.232 1.00 0.00 C ATOM 667 O ALA A 44 17.206 -2.240 7.301 1.00 0.00 O ATOM 668 CB ALA A 44 16.389 -0.374 9.399 1.00 0.00 C ATOM 0 H ALA A 44 17.090 1.605 7.573 1.00 0.00 H new ATOM 0 HA ALA A 44 18.494 -0.554 9.026 1.00 0.00 H new ATOM 0 HB1 ALA A 44 16.253 -1.431 9.626 1.00 0.00 H new ATOM 0 HB2 ALA A 44 16.538 0.180 10.326 1.00 0.00 H new ATOM 0 HB3 ALA A 44 15.504 0.005 8.888 1.00 0.00 H new ATOM 674 N ASN A 45 17.586 -0.392 6.073 1.00 0.00 N ATOM 675 CA ASN A 45 17.452 -1.083 4.798 1.00 0.00 C ATOM 676 C ASN A 45 16.065 -1.698 4.679 1.00 0.00 C ATOM 677 O ASN A 45 15.916 -2.871 4.336 1.00 0.00 O ATOM 678 CB ASN A 45 18.524 -2.166 4.658 1.00 0.00 C ATOM 679 CG ASN A 45 18.530 -2.799 3.280 1.00 0.00 C ATOM 680 OD1 ASN A 45 18.499 -4.022 3.146 1.00 0.00 O ATOM 681 ND2 ASN A 45 18.570 -1.965 2.246 1.00 0.00 N ATOM 0 H ASN A 45 17.788 0.605 5.994 1.00 0.00 H new ATOM 0 HA ASN A 45 17.587 -0.358 3.995 1.00 0.00 H new ATOM 0 HB2 ASN A 45 19.503 -1.732 4.860 1.00 0.00 H new ATOM 0 HB3 ASN A 45 18.357 -2.938 5.409 1.00 0.00 H new ATOM 0 HD21 ASN A 45 18.576 -2.332 1.294 1.00 0.00 H new ATOM 0 HD22 ASN A 45 18.595 -0.958 2.404 1.00 0.00 H new ATOM 688 N SER A 46 15.050 -0.895 4.977 1.00 0.00 N ATOM 689 CA SER A 46 13.668 -1.361 4.917 1.00 0.00 C ATOM 690 C SER A 46 12.760 -0.333 4.251 1.00 0.00 C ATOM 691 O SER A 46 13.225 0.679 3.728 1.00 0.00 O ATOM 692 CB SER A 46 13.156 -1.673 6.324 1.00 0.00 C ATOM 693 OG SER A 46 14.060 -2.513 7.022 1.00 0.00 O ATOM 0 H SER A 46 15.156 0.079 5.262 1.00 0.00 H new ATOM 0 HA SER A 46 13.649 -2.269 4.314 1.00 0.00 H new ATOM 0 HB2 SER A 46 13.016 -0.745 6.878 1.00 0.00 H new ATOM 0 HB3 SER A 46 12.181 -2.156 6.261 1.00 0.00 H new ATOM 0 HG SER A 46 13.710 -2.696 7.919 1.00 0.00 H new ATOM 699 N PHE A 47 11.457 -0.607 4.272 1.00 0.00 N ATOM 700 CA PHE A 47 10.474 0.285 3.671 1.00 0.00 C ATOM 701 C PHE A 47 9.130 0.177 4.385 1.00 0.00 C ATOM 702 O PHE A 47 8.896 -0.762 5.145 1.00 0.00 O ATOM 703 CB PHE A 47 10.310 -0.041 2.186 1.00 0.00 C ATOM 704 CG PHE A 47 11.488 0.377 1.356 1.00 0.00 C ATOM 705 CD1 PHE A 47 12.577 -0.463 1.198 1.00 0.00 C ATOM 706 CD2 PHE A 47 11.505 1.612 0.737 1.00 0.00 C ATOM 707 CE1 PHE A 47 13.664 -0.075 0.437 1.00 0.00 C ATOM 708 CE2 PHE A 47 12.587 2.007 -0.027 1.00 0.00 C ATOM 709 CZ PHE A 47 13.669 1.162 -0.177 1.00 0.00 C ATOM 0 H PHE A 47 11.059 -1.443 4.701 1.00 0.00 H new ATOM 0 HA PHE A 47 10.832 1.309 3.775 1.00 0.00 H new ATOM 0 HB2 PHE A 47 10.155 -1.114 2.071 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.414 0.453 1.809 1.00 0.00 H new ATOM 0 HD1 PHE A 47 12.577 -1.432 1.675 1.00 0.00 H new ATOM 0 HD2 PHE A 47 10.662 2.277 0.852 1.00 0.00 H new ATOM 0 HE1 PHE A 47 14.508 -0.739 0.323 1.00 0.00 H new ATOM 0 HE2 PHE A 47 12.586 2.975 -0.506 1.00 0.00 H new ATOM 0 HZ PHE A 47 14.516 1.468 -0.773 1.00 0.00 H new ATOM 719 N ARG A 48 8.249 1.145 4.141 1.00 0.00 N ATOM 720 CA ARG A 48 6.932 1.154 4.768 1.00 0.00 C ATOM 721 C ARG A 48 5.879 1.768 3.855 1.00 0.00 C ATOM 722 O ARG A 48 6.195 2.545 2.953 1.00 0.00 O ATOM 723 CB ARG A 48 6.975 1.931 6.085 1.00 0.00 C ATOM 724 CG ARG A 48 7.818 1.266 7.159 1.00 0.00 C ATOM 725 CD ARG A 48 7.160 1.366 8.526 1.00 0.00 C ATOM 726 NE ARG A 48 8.142 1.349 9.609 1.00 0.00 N ATOM 727 CZ ARG A 48 7.832 1.148 10.888 1.00 0.00 C ATOM 728 NH1 ARG A 48 6.570 0.942 11.248 1.00 0.00 N ATOM 729 NH2 ARG A 48 8.786 1.151 11.808 1.00 0.00 N ATOM 0 H ARG A 48 8.424 1.931 3.515 1.00 0.00 H new ATOM 0 HA ARG A 48 6.657 0.117 4.961 1.00 0.00 H new ATOM 0 HB2 ARG A 48 7.367 2.930 5.895 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.958 2.053 6.458 1.00 0.00 H new ATOM 0 HG2 ARG A 48 7.972 0.217 6.904 1.00 0.00 H new ATOM 0 HG3 ARG A 48 8.802 1.734 7.193 1.00 0.00 H new ATOM 0 HD2 ARG A 48 6.576 2.285 8.581 1.00 0.00 H new ATOM 0 HD3 ARG A 48 6.464 0.537 8.655 1.00 0.00 H new ATOM 0 HE ARG A 48 9.122 1.500 9.371 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.833 0.937 10.543 1.00 0.00 H new ATOM 0 HH12 ARG A 48 6.338 0.789 12.229 1.00 0.00 H new ATOM 0 HH21 ARG A 48 9.757 1.307 11.536 1.00 0.00 H new ATOM 0 HH22 ARG A 48 8.550 0.997 12.788 1.00 0.00 H new ATOM 743 N VAL A 49 4.623 1.421 4.111 1.00 0.00 N ATOM 744 CA VAL A 49 3.506 1.940 3.336 1.00 0.00 C ATOM 745 C VAL A 49 2.638 2.839 4.208 1.00 0.00 C ATOM 746 O VAL A 49 2.152 2.419 5.258 1.00 0.00 O ATOM 747 CB VAL A 49 2.643 0.805 2.753 1.00 0.00 C ATOM 748 CG1 VAL A 49 3.347 0.152 1.574 1.00 0.00 C ATOM 749 CG2 VAL A 49 2.317 -0.225 3.825 1.00 0.00 C ATOM 0 H VAL A 49 4.353 0.778 4.855 1.00 0.00 H new ATOM 0 HA VAL A 49 3.919 2.515 2.507 1.00 0.00 H new ATOM 0 HB VAL A 49 1.706 1.233 2.397 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.723 -0.647 1.175 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.523 0.897 0.798 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.300 -0.262 1.903 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.707 -1.019 3.394 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.242 -0.650 4.215 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.768 0.255 4.636 1.00 0.00 H new ATOM 759 N VAL A 50 2.458 4.083 3.779 1.00 0.00 N ATOM 760 CA VAL A 50 1.662 5.040 4.536 1.00 0.00 C ATOM 761 C VAL A 50 0.643 5.735 3.645 1.00 0.00 C ATOM 762 O VAL A 50 1.004 6.381 2.662 1.00 0.00 O ATOM 763 CB VAL A 50 2.551 6.110 5.208 1.00 0.00 C ATOM 764 CG1 VAL A 50 1.926 6.583 6.510 1.00 0.00 C ATOM 765 CG2 VAL A 50 3.956 5.577 5.453 1.00 0.00 C ATOM 0 H VAL A 50 2.852 4.451 2.913 1.00 0.00 H new ATOM 0 HA VAL A 50 1.141 4.473 5.308 1.00 0.00 H new ATOM 0 HB VAL A 50 2.625 6.961 4.530 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.567 7.336 6.969 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.946 7.015 6.307 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.817 5.738 7.189 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.561 6.350 5.927 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.906 4.705 6.105 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.409 5.294 4.503 1.00 0.00 H new ATOM 775 N GLY A 51 -0.632 5.602 3.992 1.00 0.00 N ATOM 776 CA GLY A 51 -1.679 6.225 3.206 1.00 0.00 C ATOM 777 C GLY A 51 -2.795 6.786 4.059 1.00 0.00 C ATOM 778 O GLY A 51 -3.197 6.176 5.049 1.00 0.00 O ATOM 0 H GLY A 51 -0.958 5.075 4.802 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.249 7.026 2.605 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.091 5.493 2.512 1.00 0.00 H new ATOM 782 N ARG A 52 -3.299 7.953 3.672 1.00 0.00 N ATOM 783 CA ARG A 52 -4.379 8.598 4.407 1.00 0.00 C ATOM 784 C ARG A 52 -5.572 8.860 3.493 1.00 0.00 C ATOM 785 O ARG A 52 -5.408 9.116 2.301 1.00 0.00 O ATOM 786 CB ARG A 52 -3.896 9.911 5.025 1.00 0.00 C ATOM 787 CG ARG A 52 -3.322 10.886 4.012 1.00 0.00 C ATOM 788 CD ARG A 52 -2.960 12.213 4.660 1.00 0.00 C ATOM 789 NE ARG A 52 -1.704 12.136 5.401 1.00 0.00 N ATOM 790 CZ ARG A 52 -1.306 13.049 6.283 1.00 0.00 C ATOM 791 NH1 ARG A 52 -2.062 14.110 6.538 1.00 0.00 N ATOM 792 NH2 ARG A 52 -0.149 12.900 6.915 1.00 0.00 N ATOM 0 H ARG A 52 -2.977 8.470 2.854 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.693 7.927 5.206 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.729 10.387 5.543 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.137 9.692 5.776 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.436 10.452 3.549 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.047 11.054 3.216 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.881 12.982 3.892 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.761 12.517 5.334 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.096 11.335 5.232 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.953 14.229 6.057 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.751 14.807 7.215 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.435 12.086 6.725 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.157 13.600 7.591 1.00 0.00 H new ATOM 806 N LYS A 53 -6.772 8.789 4.059 1.00 0.00 N ATOM 807 CA LYS A 53 -7.992 9.015 3.292 1.00 0.00 C ATOM 808 C LYS A 53 -7.978 10.391 2.634 1.00 0.00 C ATOM 809 O LYS A 53 -7.136 11.233 2.949 1.00 0.00 O ATOM 810 CB LYS A 53 -9.219 8.884 4.197 1.00 0.00 C ATOM 811 CG LYS A 53 -10.290 7.958 3.643 1.00 0.00 C ATOM 812 CD LYS A 53 -10.391 6.673 4.449 1.00 0.00 C ATOM 813 CE LYS A 53 -10.938 5.532 3.608 1.00 0.00 C ATOM 814 NZ LYS A 53 -10.486 4.204 4.108 1.00 0.00 N ATOM 0 H LYS A 53 -6.926 8.577 5.045 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.042 8.259 2.508 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.902 8.516 5.173 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.651 9.872 4.354 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.253 8.469 3.650 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.063 7.719 2.604 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.407 6.404 4.833 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.037 6.833 5.312 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.027 5.569 3.611 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.618 5.658 2.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.963 3.710 3.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.866 4.336 4.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.313 3.637 4.384 1.00 0.00 H new ATOM 828 N MET A 54 -8.917 10.613 1.722 1.00 0.00 N ATOM 829 CA MET A 54 -9.019 11.887 1.020 1.00 0.00 C ATOM 830 C MET A 54 -10.281 12.632 1.437 1.00 0.00 C ATOM 831 O MET A 54 -11.017 13.152 0.596 1.00 0.00 O ATOM 832 CB MET A 54 -9.015 11.661 -0.492 1.00 0.00 C ATOM 833 CG MET A 54 -7.899 10.745 -0.964 1.00 0.00 C ATOM 834 SD MET A 54 -7.360 11.116 -2.644 1.00 0.00 S ATOM 835 CE MET A 54 -8.578 10.211 -3.595 1.00 0.00 C ATOM 0 H MET A 54 -9.620 9.926 1.451 1.00 0.00 H new ATOM 0 HA MET A 54 -8.155 12.496 1.287 1.00 0.00 H new ATOM 0 HB2 MET A 54 -9.974 11.237 -0.791 1.00 0.00 H new ATOM 0 HB3 MET A 54 -8.922 12.623 -0.995 1.00 0.00 H new ATOM 0 HG2 MET A 54 -7.050 10.834 -0.286 1.00 0.00 H new ATOM 0 HG3 MET A 54 -8.238 9.710 -0.916 1.00 0.00 H new ATOM 0 HE1 MET A 54 -8.716 10.694 -4.562 1.00 0.00 H new ATOM 0 HE2 MET A 54 -8.235 9.188 -3.746 1.00 0.00 H new ATOM 0 HE3 MET A 54 -9.525 10.200 -3.056 1.00 0.00 H new ATOM 845 N GLN A 55 -10.525 12.679 2.741 1.00 0.00 N ATOM 846 CA GLN A 55 -11.698 13.359 3.279 1.00 0.00 C ATOM 847 C GLN A 55 -11.287 14.493 4.216 1.00 0.00 C ATOM 848 O GLN A 55 -10.145 14.548 4.672 1.00 0.00 O ATOM 849 CB GLN A 55 -12.598 12.368 4.022 1.00 0.00 C ATOM 850 CG GLN A 55 -11.832 11.332 4.830 1.00 0.00 C ATOM 851 CD GLN A 55 -12.658 10.750 5.962 1.00 0.00 C ATOM 852 OE1 GLN A 55 -13.451 11.450 6.590 1.00 0.00 O ATOM 853 NE2 GLN A 55 -12.474 9.462 6.226 1.00 0.00 N ATOM 0 H GLN A 55 -9.925 12.253 3.447 1.00 0.00 H new ATOM 0 HA GLN A 55 -12.254 13.784 2.443 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -13.258 12.921 4.690 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -13.233 11.855 3.299 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.509 10.527 4.170 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.931 11.789 5.240 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -11.805 8.920 5.679 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.001 9.015 6.976 1.00 0.00 H new ATOM 862 N PRO A 56 -12.217 15.415 4.517 1.00 0.00 N ATOM 863 CA PRO A 56 -11.945 16.552 5.403 1.00 0.00 C ATOM 864 C PRO A 56 -11.314 16.126 6.725 1.00 0.00 C ATOM 865 O PRO A 56 -10.623 16.912 7.374 1.00 0.00 O ATOM 866 CB PRO A 56 -13.331 17.154 5.642 1.00 0.00 C ATOM 867 CG PRO A 56 -14.121 16.773 4.439 1.00 0.00 C ATOM 868 CD PRO A 56 -13.605 15.425 4.016 1.00 0.00 C ATOM 0 HA PRO A 56 -11.231 17.248 4.962 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -13.782 16.760 6.553 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.278 18.237 5.755 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -15.186 16.729 4.669 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.997 17.506 3.642 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -14.194 14.616 4.449 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -13.642 15.303 2.934 1.00 0.00 H new ATOM 876 N ASP A 57 -11.553 14.879 7.120 1.00 0.00 N ATOM 877 CA ASP A 57 -11.005 14.355 8.365 1.00 0.00 C ATOM 878 C ASP A 57 -9.546 13.947 8.188 1.00 0.00 C ATOM 879 O ASP A 57 -8.702 14.240 9.035 1.00 0.00 O ATOM 880 CB ASP A 57 -11.827 13.157 8.844 1.00 0.00 C ATOM 881 CG ASP A 57 -13.112 13.575 9.532 1.00 0.00 C ATOM 882 OD1 ASP A 57 -13.906 14.312 8.910 1.00 0.00 O ATOM 883 OD2 ASP A 57 -13.324 13.166 10.693 1.00 0.00 O ATOM 0 H ASP A 57 -12.122 14.214 6.596 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.054 15.144 9.115 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.065 12.519 7.993 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.228 12.560 9.531 1.00 0.00 H new ATOM 888 N GLN A 58 -9.257 13.270 7.081 1.00 0.00 N ATOM 889 CA GLN A 58 -7.900 12.822 6.791 1.00 0.00 C ATOM 890 C GLN A 58 -7.395 11.870 7.871 1.00 0.00 C ATOM 891 O GLN A 58 -7.059 12.291 8.978 1.00 0.00 O ATOM 892 CB GLN A 58 -6.957 14.021 6.671 1.00 0.00 C ATOM 893 CG GLN A 58 -7.047 14.733 5.331 1.00 0.00 C ATOM 894 CD GLN A 58 -5.821 14.508 4.468 1.00 0.00 C ATOM 895 OE1 GLN A 58 -4.692 14.497 4.961 1.00 0.00 O ATOM 896 NE2 GLN A 58 -6.036 14.328 3.170 1.00 0.00 N ATOM 0 H GLN A 58 -9.945 13.020 6.370 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.919 12.287 5.842 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -7.183 14.731 7.466 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.932 13.684 6.826 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -7.931 14.385 4.797 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.177 15.802 5.500 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.988 14.345 2.804 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -5.249 14.173 2.539 1.00 0.00 H new ATOM 905 N GLN A 59 -7.341 10.584 7.539 1.00 0.00 N ATOM 906 CA GLN A 59 -6.874 9.569 8.474 1.00 0.00 C ATOM 907 C GLN A 59 -6.035 8.521 7.750 1.00 0.00 C ATOM 908 O GLN A 59 -6.264 8.238 6.575 1.00 0.00 O ATOM 909 CB GLN A 59 -8.060 8.903 9.175 1.00 0.00 C ATOM 910 CG GLN A 59 -8.848 7.954 8.286 1.00 0.00 C ATOM 911 CD GLN A 59 -8.362 6.522 8.385 1.00 0.00 C ATOM 912 OE1 GLN A 59 -7.482 6.208 9.187 1.00 0.00 O ATOM 913 NE2 GLN A 59 -8.933 5.645 7.569 1.00 0.00 N ATOM 0 H GLN A 59 -7.616 10.220 6.627 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.251 10.055 9.225 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.695 8.353 10.042 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -8.731 9.677 9.548 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -9.902 7.996 8.561 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.775 8.287 7.251 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.659 5.950 6.920 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -8.646 4.666 7.591 1.00 0.00 H new ATOM 922 N VAL A 60 -5.065 7.951 8.455 1.00 0.00 N ATOM 923 CA VAL A 60 -4.192 6.940 7.871 1.00 0.00 C ATOM 924 C VAL A 60 -4.902 5.595 7.752 1.00 0.00 C ATOM 925 O VAL A 60 -5.350 5.025 8.746 1.00 0.00 O ATOM 926 CB VAL A 60 -2.895 6.771 8.690 1.00 0.00 C ATOM 927 CG1 VAL A 60 -2.216 8.117 8.885 1.00 0.00 C ATOM 928 CG2 VAL A 60 -3.176 6.107 10.032 1.00 0.00 C ATOM 0 H VAL A 60 -4.863 8.171 9.430 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.930 7.289 6.872 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.222 6.120 8.133 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.302 7.983 9.464 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.970 8.545 7.913 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.888 8.790 9.418 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.244 6.001 10.588 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.871 6.722 10.604 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.614 5.123 9.866 1.00 0.00 H new ATOM 938 N VAL A 61 -4.999 5.095 6.525 1.00 0.00 N ATOM 939 CA VAL A 61 -5.654 3.820 6.267 1.00 0.00 C ATOM 940 C VAL A 61 -4.640 2.674 6.251 1.00 0.00 C ATOM 941 O VAL A 61 -4.988 1.521 6.501 1.00 0.00 O ATOM 942 CB VAL A 61 -6.424 3.847 4.928 1.00 0.00 C ATOM 943 CG1 VAL A 61 -7.277 5.104 4.828 1.00 0.00 C ATOM 944 CG2 VAL A 61 -5.471 3.757 3.746 1.00 0.00 C ATOM 0 H VAL A 61 -4.631 5.555 5.692 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.364 3.653 7.077 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.080 2.977 4.900 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.812 5.106 3.878 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.994 5.123 5.649 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.636 5.984 4.885 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.041 3.778 2.817 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.782 4.602 3.769 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.906 2.827 3.804 1.00 0.00 H new ATOM 954 N ILE A 62 -3.384 3.007 5.961 1.00 0.00 N ATOM 955 CA ILE A 62 -2.318 2.016 5.917 1.00 0.00 C ATOM 956 C ILE A 62 -1.061 2.558 6.582 1.00 0.00 C ATOM 957 O ILE A 62 -0.670 3.702 6.349 1.00 0.00 O ATOM 958 CB ILE A 62 -1.986 1.598 4.469 1.00 0.00 C ATOM 959 CG1 ILE A 62 -0.994 0.434 4.466 1.00 0.00 C ATOM 960 CG2 ILE A 62 -1.426 2.777 3.685 1.00 0.00 C ATOM 961 CD1 ILE A 62 -1.042 -0.396 3.201 1.00 0.00 C ATOM 0 H ILE A 62 -3.082 3.959 5.753 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.672 1.138 6.457 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.906 1.272 3.985 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.015 0.826 4.596 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.198 -0.210 5.322 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.198 2.462 2.667 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.163 3.580 3.660 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.516 3.134 4.166 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.313 -1.203 3.268 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.040 -0.817 3.080 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.808 0.234 2.343 1.00 0.00 H new ATOM 973 N ASN A 63 -0.436 1.741 7.418 1.00 0.00 N ATOM 974 CA ASN A 63 0.770 2.159 8.117 1.00 0.00 C ATOM 975 C ASN A 63 1.576 0.951 8.588 1.00 0.00 C ATOM 976 O ASN A 63 1.724 0.718 9.788 1.00 0.00 O ATOM 977 CB ASN A 63 0.397 3.053 9.303 1.00 0.00 C ATOM 978 CG ASN A 63 -0.470 2.338 10.322 1.00 0.00 C ATOM 979 OD1 ASN A 63 0.034 1.730 11.267 1.00 0.00 O ATOM 980 ND2 ASN A 63 -1.783 2.411 10.137 1.00 0.00 N ATOM 0 H ASN A 63 -0.742 0.791 7.628 1.00 0.00 H new ATOM 0 HA ASN A 63 1.394 2.726 7.426 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.307 3.405 9.789 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.130 3.934 8.937 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -2.417 1.952 10.792 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -2.158 2.926 9.340 1.00 0.00 H new ATOM 987 N CYS A 64 2.098 0.186 7.632 1.00 0.00 N ATOM 988 CA CYS A 64 2.891 -0.999 7.947 1.00 0.00 C ATOM 989 C CYS A 64 4.301 -0.873 7.378 1.00 0.00 C ATOM 990 O CYS A 64 4.695 0.189 6.896 1.00 0.00 O ATOM 991 CB CYS A 64 2.213 -2.254 7.393 1.00 0.00 C ATOM 992 SG CYS A 64 2.264 -3.673 8.513 1.00 0.00 S ATOM 0 H CYS A 64 1.986 0.365 6.634 1.00 0.00 H new ATOM 0 HA CYS A 64 2.962 -1.083 9.031 1.00 0.00 H new ATOM 0 HB2 CYS A 64 1.173 -2.022 7.165 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.692 -2.529 6.453 1.00 0.00 H new ATOM 0 HG CYS A 64 1.664 -4.685 7.959 1.00 0.00 H new ATOM 998 N ALA A 65 5.058 -1.965 7.436 1.00 0.00 N ATOM 999 CA ALA A 65 6.425 -1.973 6.925 1.00 0.00 C ATOM 1000 C ALA A 65 6.673 -3.178 6.024 1.00 0.00 C ATOM 1001 O ALA A 65 6.065 -4.234 6.199 1.00 0.00 O ATOM 1002 CB ALA A 65 7.420 -1.959 8.075 1.00 0.00 C ATOM 0 H ALA A 65 4.749 -2.853 7.831 1.00 0.00 H new ATOM 0 HA ALA A 65 6.564 -1.073 6.327 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.435 -1.965 7.678 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.270 -1.061 8.675 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.269 -2.841 8.698 1.00 0.00 H new ATOM 1008 N ILE A 66 7.572 -3.011 5.058 1.00 0.00 N ATOM 1009 CA ILE A 66 7.905 -4.084 4.126 1.00 0.00 C ATOM 1010 C ILE A 66 9.407 -4.334 4.093 1.00 0.00 C ATOM 1011 O ILE A 66 10.201 -3.397 4.005 1.00 0.00 O ATOM 1012 CB ILE A 66 7.420 -3.778 2.689 1.00 0.00 C ATOM 1013 CG1 ILE A 66 7.182 -2.281 2.493 1.00 0.00 C ATOM 1014 CG2 ILE A 66 6.151 -4.557 2.382 1.00 0.00 C ATOM 1015 CD1 ILE A 66 6.987 -1.900 1.044 1.00 0.00 C ATOM 0 H ILE A 66 8.083 -2.143 4.900 1.00 0.00 H new ATOM 0 HA ILE A 66 7.390 -4.974 4.487 1.00 0.00 H new ATOM 0 HB ILE A 66 8.203 -4.089 1.997 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.303 -1.980 3.064 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.029 -1.728 2.898 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.822 -4.331 1.368 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.350 -5.625 2.470 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.370 -4.274 3.088 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.822 -0.825 0.969 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.875 -2.172 0.474 1.00 0.00 H new ATOM 0 HD13 ILE A 66 6.122 -2.428 0.642 1.00 0.00 H new ATOM 1027 N VAL A 67 9.793 -5.605 4.158 1.00 0.00 N ATOM 1028 CA VAL A 67 11.201 -5.972 4.127 1.00 0.00 C ATOM 1029 C VAL A 67 11.429 -7.232 3.305 1.00 0.00 C ATOM 1030 O VAL A 67 11.053 -8.330 3.716 1.00 0.00 O ATOM 1031 CB VAL A 67 11.769 -6.194 5.537 1.00 0.00 C ATOM 1032 CG1 VAL A 67 11.755 -4.897 6.332 1.00 0.00 C ATOM 1033 CG2 VAL A 67 10.995 -7.285 6.263 1.00 0.00 C ATOM 0 H VAL A 67 9.151 -6.394 4.232 1.00 0.00 H new ATOM 0 HA VAL A 67 11.722 -5.134 3.663 1.00 0.00 H new ATOM 0 HB VAL A 67 12.804 -6.521 5.442 1.00 0.00 H new ATOM 0 HG11 VAL A 67 12.161 -5.076 7.327 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.363 -4.150 5.821 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.731 -4.534 6.418 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.413 -7.426 7.260 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.948 -6.994 6.347 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.068 -8.217 5.703 1.00 0.00 H new ATOM 1043 N ARG A 68 12.064 -7.051 2.149 1.00 0.00 N ATOM 1044 CA ARG A 68 12.387 -8.146 1.225 1.00 0.00 C ATOM 1045 C ARG A 68 11.473 -9.356 1.412 1.00 0.00 C ATOM 1046 O ARG A 68 11.944 -10.488 1.524 1.00 0.00 O ATOM 1047 CB ARG A 68 13.837 -8.574 1.423 1.00 0.00 C ATOM 1048 CG ARG A 68 14.109 -9.125 2.811 1.00 0.00 C ATOM 1049 CD ARG A 68 15.331 -8.476 3.438 1.00 0.00 C ATOM 1050 NE ARG A 68 16.036 -9.382 4.341 1.00 0.00 N ATOM 1051 CZ ARG A 68 17.075 -9.020 5.090 1.00 0.00 C ATOM 1052 NH1 ARG A 68 17.533 -7.775 5.044 1.00 0.00 N ATOM 1053 NH2 ARG A 68 17.659 -9.904 5.887 1.00 0.00 N ATOM 0 H ARG A 68 12.373 -6.136 1.821 1.00 0.00 H new ATOM 0 HA ARG A 68 12.234 -7.770 0.213 1.00 0.00 H new ATOM 0 HB2 ARG A 68 14.091 -9.331 0.681 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.490 -7.720 1.243 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.240 -8.957 3.447 1.00 0.00 H new ATOM 0 HG3 ARG A 68 14.258 -10.203 2.753 1.00 0.00 H new ATOM 0 HD2 ARG A 68 16.011 -8.149 2.651 1.00 0.00 H new ATOM 0 HD3 ARG A 68 15.026 -7.585 3.986 1.00 0.00 H new ATOM 0 HE ARG A 68 15.714 -10.348 4.401 1.00 0.00 H new ATOM 0 HH11 ARG A 68 17.088 -7.090 4.433 1.00 0.00 H new ATOM 0 HH12 ARG A 68 18.330 -7.503 5.620 1.00 0.00 H new ATOM 0 HH21 ARG A 68 17.312 -10.862 5.927 1.00 0.00 H new ATOM 0 HH22 ARG A 68 18.455 -9.626 6.461 1.00 0.00 H new ATOM 1067 N GLY A 69 10.171 -9.114 1.457 1.00 0.00 N ATOM 1068 CA GLY A 69 9.234 -10.206 1.647 1.00 0.00 C ATOM 1069 C GLY A 69 7.909 -10.008 0.935 1.00 0.00 C ATOM 1070 O GLY A 69 7.213 -10.980 0.643 1.00 0.00 O ATOM 0 H GLY A 69 9.748 -8.190 1.366 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.691 -11.130 1.293 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.047 -10.331 2.714 1.00 0.00 H new ATOM 1074 N VAL A 70 7.544 -8.760 0.659 1.00 0.00 N ATOM 1075 CA VAL A 70 6.285 -8.479 -0.010 1.00 0.00 C ATOM 1076 C VAL A 70 6.482 -8.319 -1.515 1.00 0.00 C ATOM 1077 O VAL A 70 7.353 -7.576 -1.967 1.00 0.00 O ATOM 1078 CB VAL A 70 5.614 -7.219 0.585 1.00 0.00 C ATOM 1079 CG1 VAL A 70 4.699 -6.542 -0.416 1.00 0.00 C ATOM 1080 CG2 VAL A 70 4.829 -7.582 1.828 1.00 0.00 C ATOM 0 H VAL A 70 8.099 -7.935 0.887 1.00 0.00 H new ATOM 0 HA VAL A 70 5.626 -9.331 0.155 1.00 0.00 H new ATOM 0 HB VAL A 70 6.408 -6.518 0.844 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.247 -5.662 0.041 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.276 -6.241 -1.291 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.915 -7.236 -0.719 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.361 -6.687 2.237 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.058 -8.309 1.572 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.501 -8.012 2.570 1.00 0.00 H new ATOM 1090 N LYS A 71 5.658 -9.026 -2.282 1.00 0.00 N ATOM 1091 CA LYS A 71 5.721 -8.972 -3.736 1.00 0.00 C ATOM 1092 C LYS A 71 4.403 -8.461 -4.309 1.00 0.00 C ATOM 1093 O LYS A 71 3.405 -9.180 -4.336 1.00 0.00 O ATOM 1094 CB LYS A 71 6.038 -10.356 -4.306 1.00 0.00 C ATOM 1095 CG LYS A 71 6.257 -10.359 -5.810 1.00 0.00 C ATOM 1096 CD LYS A 71 7.718 -10.130 -6.160 1.00 0.00 C ATOM 1097 CE LYS A 71 7.865 -9.259 -7.397 1.00 0.00 C ATOM 1098 NZ LYS A 71 7.374 -7.873 -7.163 1.00 0.00 N ATOM 0 H LYS A 71 4.935 -9.646 -1.917 1.00 0.00 H new ATOM 0 HA LYS A 71 6.516 -8.283 -4.020 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.931 -10.746 -3.817 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.220 -11.035 -4.065 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.927 -11.311 -6.225 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.646 -9.582 -6.269 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.225 -9.657 -5.319 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.207 -11.089 -6.329 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.913 -9.227 -7.696 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.311 -9.705 -8.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.849 -7.221 -7.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.347 -7.837 -7.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.583 -7.591 -6.184 1.00 0.00 H new ATOM 1112 N TYR A 72 4.408 -7.211 -4.762 1.00 0.00 N ATOM 1113 CA TYR A 72 3.214 -6.590 -5.330 1.00 0.00 C ATOM 1114 C TYR A 72 2.539 -7.507 -6.346 1.00 0.00 C ATOM 1115 O TYR A 72 3.024 -7.679 -7.465 1.00 0.00 O ATOM 1116 CB TYR A 72 3.579 -5.255 -5.983 1.00 0.00 C ATOM 1117 CG TYR A 72 3.239 -4.053 -5.131 1.00 0.00 C ATOM 1118 CD1 TYR A 72 3.254 -4.140 -3.745 1.00 0.00 C ATOM 1119 CD2 TYR A 72 2.909 -2.832 -5.709 1.00 0.00 C ATOM 1120 CE1 TYR A 72 2.949 -3.050 -2.958 1.00 0.00 C ATOM 1121 CE2 TYR A 72 2.603 -1.733 -4.928 1.00 0.00 C ATOM 1122 CZ TYR A 72 2.625 -1.847 -3.551 1.00 0.00 C ATOM 1123 OH TYR A 72 2.323 -0.758 -2.767 1.00 0.00 O ATOM 0 H TYR A 72 5.229 -6.605 -4.747 1.00 0.00 H new ATOM 0 HA TYR A 72 2.507 -6.413 -4.519 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.647 -5.246 -6.200 1.00 0.00 H new ATOM 0 HB3 TYR A 72 3.059 -5.172 -6.937 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.509 -5.078 -3.275 1.00 0.00 H new ATOM 0 HD2 TYR A 72 2.891 -2.741 -6.785 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.964 -3.137 -1.882 1.00 0.00 H new ATOM 0 HE2 TYR A 72 2.348 -0.791 -5.391 1.00 0.00 H new ATOM 0 HH TYR A 72 1.594 -0.249 -3.180 1.00 0.00 H new ATOM 1133 N ASN A 73 1.416 -8.093 -5.945 1.00 0.00 N ATOM 1134 CA ASN A 73 0.667 -8.994 -6.812 1.00 0.00 C ATOM 1135 C ASN A 73 -0.515 -8.274 -7.454 1.00 0.00 C ATOM 1136 O ASN A 73 -1.589 -8.172 -6.861 1.00 0.00 O ATOM 1137 CB ASN A 73 0.172 -10.205 -6.016 1.00 0.00 C ATOM 1138 CG ASN A 73 0.761 -11.507 -6.522 1.00 0.00 C ATOM 1139 OD1 ASN A 73 1.178 -12.360 -5.738 1.00 0.00 O ATOM 1140 ND2 ASN A 73 0.797 -11.668 -7.840 1.00 0.00 N ATOM 0 H ASN A 73 1.004 -7.959 -5.022 1.00 0.00 H new ATOM 0 HA ASN A 73 1.334 -9.336 -7.604 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.431 -10.076 -4.965 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.915 -10.254 -6.073 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.181 -12.525 -8.239 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.440 -10.935 -8.453 1.00 0.00 H new ATOM 1147 N GLN A 74 -0.311 -7.776 -8.670 1.00 0.00 N ATOM 1148 CA GLN A 74 -1.360 -7.066 -9.392 1.00 0.00 C ATOM 1149 C GLN A 74 -2.581 -7.959 -9.592 1.00 0.00 C ATOM 1150 O GLN A 74 -2.623 -8.774 -10.514 1.00 0.00 O ATOM 1151 CB GLN A 74 -0.840 -6.582 -10.746 1.00 0.00 C ATOM 1152 CG GLN A 74 -1.777 -5.611 -11.444 1.00 0.00 C ATOM 1153 CD GLN A 74 -1.189 -4.219 -11.569 1.00 0.00 C ATOM 1154 OE1 GLN A 74 -0.165 -4.022 -12.222 1.00 0.00 O ATOM 1155 NE2 GLN A 74 -1.838 -3.244 -10.942 1.00 0.00 N ATOM 0 H GLN A 74 0.572 -7.851 -9.176 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.656 -6.203 -8.796 1.00 0.00 H new ATOM 0 HB2 GLN A 74 0.128 -6.101 -10.604 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.676 -7.444 -11.392 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.014 -5.992 -12.438 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.715 -5.557 -10.891 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -2.684 -3.453 -10.412 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -1.490 -2.286 -10.991 1.00 0.00 H new ATOM 1164 N ALA A 75 -3.572 -7.801 -8.720 1.00 0.00 N ATOM 1165 CA ALA A 75 -4.793 -8.593 -8.799 1.00 0.00 C ATOM 1166 C ALA A 75 -5.571 -8.281 -10.073 1.00 0.00 C ATOM 1167 O ALA A 75 -6.131 -9.178 -10.704 1.00 0.00 O ATOM 1168 CB ALA A 75 -5.661 -8.345 -7.574 1.00 0.00 C ATOM 0 H ALA A 75 -3.553 -7.131 -7.951 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.512 -9.646 -8.827 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.570 -8.942 -7.645 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.111 -8.626 -6.676 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.924 -7.289 -7.522 1.00 0.00 H new ATOM 1174 N THR A 76 -5.602 -7.006 -10.445 1.00 0.00 N ATOM 1175 CA THR A 76 -6.314 -6.579 -11.647 1.00 0.00 C ATOM 1176 C THR A 76 -5.601 -5.397 -12.302 1.00 0.00 C ATOM 1177 O THR A 76 -4.616 -4.885 -11.770 1.00 0.00 O ATOM 1178 CB THR A 76 -7.764 -6.203 -11.309 1.00 0.00 C ATOM 1179 OG1 THR A 76 -7.878 -4.819 -11.024 1.00 0.00 O ATOM 1180 CG2 THR A 76 -8.325 -6.960 -10.123 1.00 0.00 C ATOM 0 H THR A 76 -5.144 -6.251 -9.934 1.00 0.00 H new ATOM 0 HA THR A 76 -6.325 -7.411 -12.351 1.00 0.00 H new ATOM 0 HB THR A 76 -8.337 -6.472 -12.196 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.811 -4.604 -10.813 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.352 -6.643 -9.942 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.306 -8.030 -10.332 1.00 0.00 H new ATOM 0 HG23 THR A 76 -7.721 -6.752 -9.240 1.00 0.00 H new ATOM 1188 N PRO A 77 -6.089 -4.946 -13.471 1.00 0.00 N ATOM 1189 CA PRO A 77 -5.487 -3.818 -14.191 1.00 0.00 C ATOM 1190 C PRO A 77 -5.296 -2.593 -13.302 1.00 0.00 C ATOM 1191 O PRO A 77 -4.443 -1.747 -13.571 1.00 0.00 O ATOM 1192 CB PRO A 77 -6.502 -3.524 -15.297 1.00 0.00 C ATOM 1193 CG PRO A 77 -7.196 -4.821 -15.524 1.00 0.00 C ATOM 1194 CD PRO A 77 -7.260 -5.493 -14.180 1.00 0.00 C ATOM 0 HA PRO A 77 -4.489 -4.056 -14.560 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -7.204 -2.747 -14.995 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.010 -3.174 -16.204 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.195 -4.664 -15.930 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -6.653 -5.435 -16.242 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.189 -5.263 -13.659 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -7.205 -6.578 -14.270 1.00 0.00 H new ATOM 1202 N ASN A 78 -6.094 -2.503 -12.241 1.00 0.00 N ATOM 1203 CA ASN A 78 -6.007 -1.379 -11.315 1.00 0.00 C ATOM 1204 C ASN A 78 -6.180 -1.844 -9.872 1.00 0.00 C ATOM 1205 O ASN A 78 -7.126 -1.448 -9.190 1.00 0.00 O ATOM 1206 CB ASN A 78 -7.065 -0.329 -11.659 1.00 0.00 C ATOM 1207 CG ASN A 78 -8.477 -0.871 -11.549 1.00 0.00 C ATOM 1208 OD1 ASN A 78 -8.844 -1.822 -12.241 1.00 0.00 O ATOM 1209 ND2 ASN A 78 -9.277 -0.270 -10.676 1.00 0.00 N ATOM 0 H ASN A 78 -6.806 -3.193 -12.002 1.00 0.00 H new ATOM 0 HA ASN A 78 -5.017 -0.934 -11.414 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -6.954 0.526 -10.992 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -6.896 0.034 -12.673 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -10.237 -0.593 -10.558 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -8.931 0.514 -10.123 1.00 0.00 H new ATOM 1216 N PHE A 79 -5.259 -2.684 -9.410 1.00 0.00 N ATOM 1217 CA PHE A 79 -5.311 -3.199 -8.046 1.00 0.00 C ATOM 1218 C PHE A 79 -3.962 -3.772 -7.623 1.00 0.00 C ATOM 1219 O PHE A 79 -3.364 -4.572 -8.341 1.00 0.00 O ATOM 1220 CB PHE A 79 -6.395 -4.273 -7.925 1.00 0.00 C ATOM 1221 CG PHE A 79 -7.022 -4.344 -6.562 1.00 0.00 C ATOM 1222 CD1 PHE A 79 -6.384 -5.004 -5.523 1.00 0.00 C ATOM 1223 CD2 PHE A 79 -8.250 -3.750 -6.320 1.00 0.00 C ATOM 1224 CE1 PHE A 79 -6.961 -5.071 -4.269 1.00 0.00 C ATOM 1225 CE2 PHE A 79 -8.831 -3.813 -5.069 1.00 0.00 C ATOM 1226 CZ PHE A 79 -8.185 -4.474 -4.041 1.00 0.00 C ATOM 0 H PHE A 79 -4.469 -3.022 -9.959 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.554 -2.369 -7.383 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -7.172 -4.077 -8.664 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -5.962 -5.243 -8.167 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -5.426 -5.471 -5.696 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -8.759 -3.232 -7.119 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -6.455 -5.590 -3.468 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -9.789 -3.346 -4.894 1.00 0.00 H new ATOM 0 HZ PHE A 79 -8.637 -4.523 -3.061 1.00 0.00 H new ATOM 1236 N HIS A 80 -3.489 -3.358 -6.450 1.00 0.00 N ATOM 1237 CA HIS A 80 -2.212 -3.832 -5.930 1.00 0.00 C ATOM 1238 C HIS A 80 -2.405 -4.570 -4.609 1.00 0.00 C ATOM 1239 O HIS A 80 -2.664 -3.956 -3.574 1.00 0.00 O ATOM 1240 CB HIS A 80 -1.243 -2.665 -5.750 1.00 0.00 C ATOM 1241 CG HIS A 80 -0.594 -2.241 -7.030 1.00 0.00 C ATOM 1242 ND1 HIS A 80 0.334 -1.225 -7.107 1.00 0.00 N ATOM 1243 CD2 HIS A 80 -0.750 -2.701 -8.295 1.00 0.00 C ATOM 1244 CE1 HIS A 80 0.719 -1.076 -8.360 1.00 0.00 C ATOM 1245 NE2 HIS A 80 0.078 -1.960 -9.102 1.00 0.00 N ATOM 0 H HIS A 80 -3.972 -2.696 -5.843 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.788 -4.529 -6.653 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.779 -1.818 -5.323 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.471 -2.948 -5.034 1.00 0.00 H new ATOM 0 HD1 HIS A 80 0.671 -0.674 -6.318 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -1.404 -3.501 -8.610 1.00 0.00 H new ATOM 0 HE1 HIS A 80 1.437 -0.353 -8.718 1.00 0.00 H new ATOM 1254 N GLN A 81 -2.289 -5.892 -4.661 1.00 0.00 N ATOM 1255 CA GLN A 81 -2.463 -6.726 -3.477 1.00 0.00 C ATOM 1256 C GLN A 81 -1.163 -7.449 -3.124 1.00 0.00 C ATOM 1257 O GLN A 81 -0.558 -8.105 -3.971 1.00 0.00 O ATOM 1258 CB GLN A 81 -3.591 -7.737 -3.721 1.00 0.00 C ATOM 1259 CG GLN A 81 -3.572 -8.940 -2.789 1.00 0.00 C ATOM 1260 CD GLN A 81 -3.187 -10.224 -3.497 1.00 0.00 C ATOM 1261 OE1 GLN A 81 -3.820 -10.620 -4.477 1.00 0.00 O ATOM 1262 NE2 GLN A 81 -2.145 -10.883 -3.005 1.00 0.00 N ATOM 0 H GLN A 81 -2.075 -6.411 -5.513 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.730 -6.088 -2.634 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -4.548 -7.227 -3.616 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.529 -8.090 -4.751 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -2.870 -8.754 -1.976 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.557 -9.060 -2.338 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.649 -10.519 -2.191 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.840 -11.753 -3.441 1.00 0.00 H new ATOM 1271 N TRP A 82 -0.743 -7.329 -1.866 1.00 0.00 N ATOM 1272 CA TRP A 82 0.481 -7.983 -1.409 1.00 0.00 C ATOM 1273 C TRP A 82 0.287 -8.673 -0.066 1.00 0.00 C ATOM 1274 O TRP A 82 -0.447 -8.193 0.796 1.00 0.00 O ATOM 1275 CB TRP A 82 1.632 -6.982 -1.288 1.00 0.00 C ATOM 1276 CG TRP A 82 1.360 -5.842 -0.352 1.00 0.00 C ATOM 1277 CD1 TRP A 82 1.596 -5.811 0.994 1.00 0.00 C ATOM 1278 CD2 TRP A 82 0.810 -4.564 -0.692 1.00 0.00 C ATOM 1279 NE1 TRP A 82 1.236 -4.590 1.508 1.00 0.00 N ATOM 1280 CE2 TRP A 82 0.747 -3.808 0.494 1.00 0.00 C ATOM 1281 CE3 TRP A 82 0.366 -3.985 -1.884 1.00 0.00 C ATOM 1282 CZ2 TRP A 82 0.260 -2.505 0.522 1.00 0.00 C ATOM 1283 CZ3 TRP A 82 -0.118 -2.690 -1.854 1.00 0.00 C ATOM 1284 CH2 TRP A 82 -0.167 -1.963 -0.659 1.00 0.00 C ATOM 0 H TRP A 82 -1.228 -6.789 -1.150 1.00 0.00 H new ATOM 0 HA TRP A 82 0.728 -8.734 -2.160 1.00 0.00 H new ATOM 0 HB2 TRP A 82 2.524 -7.510 -0.950 1.00 0.00 H new ATOM 0 HB3 TRP A 82 1.855 -6.580 -2.277 1.00 0.00 H new ATOM 0 HD1 TRP A 82 2.006 -6.628 1.569 1.00 0.00 H new ATOM 0 HE1 TRP A 82 1.319 -4.310 2.485 1.00 0.00 H new ATOM 0 HE3 TRP A 82 0.400 -4.538 -2.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 0.221 -1.942 1.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -0.464 -2.232 -2.769 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -0.550 -0.953 -0.670 1.00 0.00 H new ATOM 1295 N ARG A 83 0.981 -9.793 0.108 1.00 0.00 N ATOM 1296 CA ARG A 83 0.927 -10.552 1.350 1.00 0.00 C ATOM 1297 C ARG A 83 2.239 -10.379 2.104 1.00 0.00 C ATOM 1298 O ARG A 83 3.285 -10.854 1.662 1.00 0.00 O ATOM 1299 CB ARG A 83 0.674 -12.033 1.064 1.00 0.00 C ATOM 1300 CG ARG A 83 0.055 -12.782 2.233 1.00 0.00 C ATOM 1301 CD ARG A 83 -0.535 -14.114 1.797 1.00 0.00 C ATOM 1302 NE ARG A 83 -1.981 -14.164 2.001 1.00 0.00 N ATOM 1303 CZ ARG A 83 -2.789 -15.022 1.380 1.00 0.00 C ATOM 1304 NH1 ARG A 83 -2.297 -15.903 0.518 1.00 0.00 N ATOM 1305 NH2 ARG A 83 -4.093 -14.999 1.623 1.00 0.00 N ATOM 0 H ARG A 83 1.592 -10.197 -0.602 1.00 0.00 H new ATOM 0 HA ARG A 83 0.105 -10.178 1.961 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.017 -12.120 0.199 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.617 -12.509 0.797 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.812 -12.952 2.998 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.724 -12.169 2.686 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.311 -14.282 0.744 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.062 -14.921 2.356 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.396 -13.503 2.658 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.295 -15.926 0.328 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -2.921 -16.557 0.046 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.477 -14.325 2.285 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.712 -15.656 1.148 1.00 0.00 H new ATOM 1319 N ASP A 84 2.188 -9.674 3.229 1.00 0.00 N ATOM 1320 CA ASP A 84 3.387 -9.419 4.015 1.00 0.00 C ATOM 1321 C ASP A 84 3.577 -10.464 5.119 1.00 0.00 C ATOM 1322 O ASP A 84 4.101 -11.549 4.865 1.00 0.00 O ATOM 1323 CB ASP A 84 3.337 -7.999 4.593 1.00 0.00 C ATOM 1324 CG ASP A 84 4.454 -7.723 5.583 1.00 0.00 C ATOM 1325 OD1 ASP A 84 5.533 -8.339 5.450 1.00 0.00 O ATOM 1326 OD2 ASP A 84 4.250 -6.891 6.492 1.00 0.00 O ATOM 0 H ASP A 84 1.334 -9.271 3.615 1.00 0.00 H new ATOM 0 HA ASP A 84 4.252 -9.500 3.356 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.395 -7.278 3.777 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.377 -7.846 5.085 1.00 0.00 H new ATOM 1331 N ALA A 85 3.163 -10.139 6.343 1.00 0.00 N ATOM 1332 CA ALA A 85 3.310 -11.061 7.462 1.00 0.00 C ATOM 1333 C ALA A 85 2.357 -12.242 7.335 1.00 0.00 C ATOM 1334 O ALA A 85 2.775 -13.367 7.066 1.00 0.00 O ATOM 1335 CB ALA A 85 3.077 -10.332 8.778 1.00 0.00 C ATOM 0 H ALA A 85 2.726 -9.249 6.582 1.00 0.00 H new ATOM 0 HA ALA A 85 4.328 -11.450 7.447 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.190 -11.032 9.606 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.804 -9.527 8.882 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.070 -9.915 8.790 1.00 0.00 H new ATOM 1341 N ARG A 86 1.074 -11.974 7.534 1.00 0.00 N ATOM 1342 CA ARG A 86 0.051 -13.015 7.445 1.00 0.00 C ATOM 1343 C ARG A 86 -1.223 -12.498 6.780 1.00 0.00 C ATOM 1344 O ARG A 86 -2.125 -13.275 6.465 1.00 0.00 O ATOM 1345 CB ARG A 86 -0.277 -13.560 8.837 1.00 0.00 C ATOM 1346 CG ARG A 86 -1.377 -14.612 8.836 1.00 0.00 C ATOM 1347 CD ARG A 86 -1.010 -15.809 9.700 1.00 0.00 C ATOM 1348 NE ARG A 86 -0.444 -15.405 10.986 1.00 0.00 N ATOM 1349 CZ ARG A 86 0.289 -16.205 11.757 1.00 0.00 C ATOM 1350 NH1 ARG A 86 0.546 -17.451 11.380 1.00 0.00 N ATOM 1351 NH2 ARG A 86 0.766 -15.758 12.911 1.00 0.00 N ATOM 0 H ARG A 86 0.714 -11.046 7.758 1.00 0.00 H new ATOM 0 HA ARG A 86 0.454 -13.817 6.827 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.625 -13.990 9.271 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.577 -12.733 9.480 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.304 -14.170 9.201 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.563 -14.944 7.814 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.897 -16.419 9.870 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.292 -16.433 9.168 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.621 -14.455 11.311 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.181 -17.801 10.494 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.108 -18.058 11.976 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.571 -14.802 13.207 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.328 -16.371 13.502 1.00 0.00 H new ATOM 1365 N GLN A 87 -1.297 -11.188 6.564 1.00 0.00 N ATOM 1366 CA GLN A 87 -2.464 -10.590 5.935 1.00 0.00 C ATOM 1367 C GLN A 87 -2.126 -10.117 4.531 1.00 0.00 C ATOM 1368 O GLN A 87 -1.048 -10.404 4.009 1.00 0.00 O ATOM 1369 CB GLN A 87 -2.978 -9.414 6.770 1.00 0.00 C ATOM 1370 CG GLN A 87 -3.043 -9.705 8.260 1.00 0.00 C ATOM 1371 CD GLN A 87 -2.211 -8.740 9.082 1.00 0.00 C ATOM 1372 OE1 GLN A 87 -2.645 -8.264 10.131 1.00 0.00 O ATOM 1373 NE2 GLN A 87 -1.006 -8.445 8.607 1.00 0.00 N ATOM 0 H GLN A 87 -0.564 -10.525 6.815 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.245 -11.348 5.874 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.331 -8.552 6.605 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.972 -9.138 6.419 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -4.081 -9.656 8.591 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -2.698 -10.723 8.443 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -0.686 -8.863 7.733 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -0.401 -7.801 9.116 1.00 0.00 H new ATOM 1382 N VAL A 88 -3.049 -9.388 3.926 1.00 0.00 N ATOM 1383 CA VAL A 88 -2.846 -8.869 2.583 1.00 0.00 C ATOM 1384 C VAL A 88 -3.415 -7.463 2.468 1.00 0.00 C ATOM 1385 O VAL A 88 -4.591 -7.237 2.743 1.00 0.00 O ATOM 1386 CB VAL A 88 -3.492 -9.773 1.513 1.00 0.00 C ATOM 1387 CG1 VAL A 88 -2.715 -9.688 0.211 1.00 0.00 C ATOM 1388 CG2 VAL A 88 -3.573 -11.215 1.995 1.00 0.00 C ATOM 0 H VAL A 88 -3.947 -9.142 4.343 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.771 -8.847 2.405 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.508 -9.420 1.336 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.183 -10.331 -0.534 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.716 -8.658 -0.146 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.688 -10.013 0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.032 -11.832 1.222 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.570 -11.585 2.206 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.175 -11.262 2.902 1.00 0.00 H new ATOM 1398 N TRP A 89 -2.570 -6.518 2.075 1.00 0.00 N ATOM 1399 CA TRP A 89 -2.991 -5.130 1.942 1.00 0.00 C ATOM 1400 C TRP A 89 -3.340 -4.791 0.497 1.00 0.00 C ATOM 1401 O TRP A 89 -2.477 -4.385 -0.282 1.00 0.00 O ATOM 1402 CB TRP A 89 -1.892 -4.197 2.441 1.00 0.00 C ATOM 1403 CG TRP A 89 -1.738 -4.200 3.930 1.00 0.00 C ATOM 1404 CD1 TRP A 89 -1.073 -5.126 4.681 1.00 0.00 C ATOM 1405 CD2 TRP A 89 -2.258 -3.235 4.847 1.00 0.00 C ATOM 1406 NE1 TRP A 89 -1.150 -4.794 6.012 1.00 0.00 N ATOM 1407 CE2 TRP A 89 -1.874 -3.636 6.140 1.00 0.00 C ATOM 1408 CE3 TRP A 89 -3.013 -2.068 4.700 1.00 0.00 C ATOM 1409 CZ2 TRP A 89 -2.219 -2.911 7.278 1.00 0.00 C ATOM 1410 CZ3 TRP A 89 -3.356 -1.350 5.830 1.00 0.00 C ATOM 1411 CH2 TRP A 89 -2.958 -1.772 7.103 1.00 0.00 C ATOM 0 H TRP A 89 -1.591 -6.687 1.843 1.00 0.00 H new ATOM 0 HA TRP A 89 -3.886 -4.994 2.549 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -0.945 -4.487 1.985 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -2.109 -3.182 2.108 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -0.562 -5.992 4.287 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -0.736 -5.323 6.780 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -3.323 -1.733 3.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -1.915 -3.235 8.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -3.941 -0.448 5.729 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -3.240 -1.187 7.966 1.00 0.00 H new ATOM 1422 N GLY A 90 -4.611 -4.952 0.150 1.00 0.00 N ATOM 1423 CA GLY A 90 -5.054 -4.649 -1.196 1.00 0.00 C ATOM 1424 C GLY A 90 -5.158 -3.160 -1.442 1.00 0.00 C ATOM 1425 O GLY A 90 -5.359 -2.384 -0.509 1.00 0.00 O ATOM 0 H GLY A 90 -5.342 -5.287 0.777 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.359 -5.086 -1.913 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -6.025 -5.113 -1.370 1.00 0.00 H new ATOM 1429 N LEU A 91 -5.020 -2.755 -2.697 1.00 0.00 N ATOM 1430 CA LEU A 91 -5.099 -1.345 -3.051 1.00 0.00 C ATOM 1431 C LEU A 91 -5.851 -1.153 -4.360 1.00 0.00 C ATOM 1432 O LEU A 91 -5.323 -1.441 -5.433 1.00 0.00 O ATOM 1433 CB LEU A 91 -3.695 -0.742 -3.179 1.00 0.00 C ATOM 1434 CG LEU A 91 -3.239 0.119 -2.002 1.00 0.00 C ATOM 1435 CD1 LEU A 91 -4.186 1.290 -1.800 1.00 0.00 C ATOM 1436 CD2 LEU A 91 -3.137 -0.717 -0.734 1.00 0.00 C ATOM 0 H LEU A 91 -4.853 -3.381 -3.485 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.640 -0.834 -2.254 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.980 -1.554 -3.311 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.660 -0.137 -4.085 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.249 0.515 -2.229 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.846 1.892 -0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.204 1.903 -2.701 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.189 0.916 -1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.811 -0.086 0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.112 -1.145 -0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.415 -1.520 -0.884 1.00 0.00 H new ATOM 1448 N ASN A 92 -7.074 -0.646 -4.274 1.00 0.00 N ATOM 1449 CA ASN A 92 -7.867 -0.405 -5.473 1.00 0.00 C ATOM 1450 C ASN A 92 -7.662 1.022 -5.956 1.00 0.00 C ATOM 1451 O ASN A 92 -8.120 1.978 -5.333 1.00 0.00 O ATOM 1452 CB ASN A 92 -9.353 -0.651 -5.218 1.00 0.00 C ATOM 1453 CG ASN A 92 -10.105 -1.023 -6.487 1.00 0.00 C ATOM 1454 OD1 ASN A 92 -11.025 -1.840 -6.452 1.00 0.00 O ATOM 1455 ND2 ASN A 92 -9.721 -0.427 -7.619 1.00 0.00 N ATOM 0 H ASN A 92 -7.534 -0.396 -3.399 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.532 -1.104 -6.240 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -9.466 -1.450 -4.485 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -9.798 0.245 -4.785 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -10.195 -0.644 -8.496 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -8.954 0.245 -7.607 1.00 0.00 H new ATOM 1462 N PHE A 93 -6.959 1.150 -7.071 1.00 0.00 N ATOM 1463 CA PHE A 93 -6.668 2.451 -7.651 1.00 0.00 C ATOM 1464 C PHE A 93 -7.847 2.992 -8.448 1.00 0.00 C ATOM 1465 O PHE A 93 -8.728 2.242 -8.868 1.00 0.00 O ATOM 1466 CB PHE A 93 -5.435 2.350 -8.540 1.00 0.00 C ATOM 1467 CG PHE A 93 -4.275 1.675 -7.865 1.00 0.00 C ATOM 1468 CD1 PHE A 93 -3.387 2.398 -7.082 1.00 0.00 C ATOM 1469 CD2 PHE A 93 -4.081 0.311 -8.003 1.00 0.00 C ATOM 1470 CE1 PHE A 93 -2.330 1.773 -6.452 1.00 0.00 C ATOM 1471 CE2 PHE A 93 -3.026 -0.319 -7.374 1.00 0.00 C ATOM 1472 CZ PHE A 93 -2.151 0.413 -6.598 1.00 0.00 C ATOM 0 H PHE A 93 -6.577 0.362 -7.595 1.00 0.00 H new ATOM 0 HA PHE A 93 -6.478 3.149 -6.835 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -5.691 1.800 -9.445 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -5.135 3.351 -8.850 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -3.524 3.463 -6.964 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -4.763 -0.267 -8.610 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.645 2.347 -5.846 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.886 -1.384 -7.489 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.326 -0.079 -6.105 1.00 0.00 H new ATOM 1482 N GLY A 94 -7.849 4.305 -8.649 1.00 0.00 N ATOM 1483 CA GLY A 94 -8.919 4.941 -9.396 1.00 0.00 C ATOM 1484 C GLY A 94 -8.647 4.976 -10.886 1.00 0.00 C ATOM 1485 O GLY A 94 -9.575 4.946 -11.695 1.00 0.00 O ATOM 0 H GLY A 94 -7.128 4.941 -8.308 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.852 4.408 -9.213 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.057 5.959 -9.031 1.00 0.00 H new ATOM 1489 N SER A 95 -7.370 5.039 -11.252 1.00 0.00 N ATOM 1490 CA SER A 95 -6.978 5.078 -12.656 1.00 0.00 C ATOM 1491 C SER A 95 -5.734 4.229 -12.897 1.00 0.00 C ATOM 1492 O SER A 95 -5.139 3.702 -11.958 1.00 0.00 O ATOM 1493 CB SER A 95 -6.719 6.520 -13.096 1.00 0.00 C ATOM 1494 OG SER A 95 -7.204 6.748 -14.407 1.00 0.00 O ATOM 0 H SER A 95 -6.590 5.064 -10.596 1.00 0.00 H new ATOM 0 HA SER A 95 -7.797 4.667 -13.247 1.00 0.00 H new ATOM 0 HB2 SER A 95 -7.202 7.208 -12.402 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.650 6.728 -13.059 1.00 0.00 H new ATOM 0 HG SER A 95 -7.028 7.677 -14.664 1.00 0.00 H new ATOM 1500 N LYS A 96 -5.348 4.102 -14.161 1.00 0.00 N ATOM 1501 CA LYS A 96 -4.176 3.317 -14.528 1.00 0.00 C ATOM 1502 C LYS A 96 -2.893 4.017 -14.090 1.00 0.00 C ATOM 1503 O LYS A 96 -1.902 3.368 -13.757 1.00 0.00 O ATOM 1504 CB LYS A 96 -4.149 3.079 -16.039 1.00 0.00 C ATOM 1505 CG LYS A 96 -4.223 4.357 -16.857 1.00 0.00 C ATOM 1506 CD LYS A 96 -3.817 4.120 -18.302 1.00 0.00 C ATOM 1507 CE LYS A 96 -3.255 5.381 -18.937 1.00 0.00 C ATOM 1508 NZ LYS A 96 -1.766 5.386 -18.940 1.00 0.00 N ATOM 0 H LYS A 96 -5.830 4.533 -14.950 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.238 2.357 -14.016 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.235 2.544 -16.298 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -4.984 2.434 -16.312 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.238 4.753 -16.824 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -3.572 5.111 -16.415 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.071 3.326 -18.346 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -4.681 3.778 -18.872 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -3.620 5.466 -19.961 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -3.620 6.254 -18.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -1.423 6.263 -19.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -1.417 5.331 -17.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -1.417 4.568 -19.479 1.00 0.00 H new ATOM 1522 N GLU A 97 -2.918 5.347 -14.096 1.00 0.00 N ATOM 1523 CA GLU A 97 -1.756 6.134 -13.700 1.00 0.00 C ATOM 1524 C GLU A 97 -1.422 5.909 -12.231 1.00 0.00 C ATOM 1525 O GLU A 97 -0.277 5.615 -11.885 1.00 0.00 O ATOM 1526 CB GLU A 97 -2.008 7.621 -13.958 1.00 0.00 C ATOM 1527 CG GLU A 97 -0.756 8.391 -14.347 1.00 0.00 C ATOM 1528 CD GLU A 97 -0.932 9.186 -15.626 1.00 0.00 C ATOM 1529 OE1 GLU A 97 -2.089 9.503 -15.974 1.00 0.00 O ATOM 1530 OE2 GLU A 97 0.087 9.493 -16.280 1.00 0.00 O ATOM 0 H GLU A 97 -3.729 5.901 -14.370 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.906 5.808 -14.300 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.749 7.723 -14.751 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.437 8.069 -13.062 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.485 9.068 -13.537 1.00 0.00 H new ATOM 0 HG3 GLU A 97 0.072 7.693 -14.469 1.00 0.00 H new ATOM 1537 N ASP A 98 -2.426 6.041 -11.369 1.00 0.00 N ATOM 1538 CA ASP A 98 -2.233 5.843 -9.937 1.00 0.00 C ATOM 1539 C ASP A 98 -1.569 4.497 -9.670 1.00 0.00 C ATOM 1540 O ASP A 98 -0.465 4.431 -9.132 1.00 0.00 O ATOM 1541 CB ASP A 98 -3.572 5.924 -9.203 1.00 0.00 C ATOM 1542 CG ASP A 98 -4.282 7.241 -9.439 1.00 0.00 C ATOM 1543 OD1 ASP A 98 -3.592 8.247 -9.710 1.00 0.00 O ATOM 1544 OD2 ASP A 98 -5.528 7.268 -9.354 1.00 0.00 O ATOM 0 H ASP A 98 -3.380 6.284 -11.637 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.581 6.633 -9.565 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -4.213 5.105 -9.531 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -3.406 5.791 -8.134 1.00 0.00 H new ATOM 1549 N ALA A 99 -2.252 3.424 -10.057 1.00 0.00 N ATOM 1550 CA ALA A 99 -1.734 2.075 -9.870 1.00 0.00 C ATOM 1551 C ALA A 99 -0.319 1.941 -10.425 1.00 0.00 C ATOM 1552 O ALA A 99 0.498 1.194 -9.890 1.00 0.00 O ATOM 1553 CB ALA A 99 -2.661 1.063 -10.526 1.00 0.00 C ATOM 0 H ALA A 99 -3.168 3.464 -10.503 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.690 1.875 -8.799 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.264 0.058 -10.380 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.651 1.131 -10.076 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -2.733 1.273 -11.593 1.00 0.00 H new ATOM 1559 N ALA A 100 -0.032 2.671 -11.499 1.00 0.00 N ATOM 1560 CA ALA A 100 1.289 2.628 -12.114 1.00 0.00 C ATOM 1561 C ALA A 100 2.316 3.360 -11.257 1.00 0.00 C ATOM 1562 O ALA A 100 3.494 3.000 -11.234 1.00 0.00 O ATOM 1563 CB ALA A 100 1.240 3.227 -13.512 1.00 0.00 C ATOM 0 H ALA A 100 -0.694 3.296 -11.959 1.00 0.00 H new ATOM 0 HA ALA A 100 1.595 1.585 -12.189 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.233 3.188 -13.959 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.543 2.658 -14.127 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.909 4.264 -13.452 1.00 0.00 H new ATOM 1569 N GLN A 101 1.860 4.392 -10.556 1.00 0.00 N ATOM 1570 CA GLN A 101 2.734 5.183 -9.697 1.00 0.00 C ATOM 1571 C GLN A 101 3.039 4.450 -8.393 1.00 0.00 C ATOM 1572 O GLN A 101 4.187 4.411 -7.943 1.00 0.00 O ATOM 1573 CB GLN A 101 2.086 6.537 -9.397 1.00 0.00 C ATOM 1574 CG GLN A 101 3.054 7.569 -8.842 1.00 0.00 C ATOM 1575 CD GLN A 101 4.170 7.900 -9.812 1.00 0.00 C ATOM 1576 OE1 GLN A 101 4.125 8.914 -10.508 1.00 0.00 O ATOM 1577 NE2 GLN A 101 5.180 7.041 -9.864 1.00 0.00 N ATOM 0 H GLN A 101 0.888 4.701 -10.566 1.00 0.00 H new ATOM 0 HA GLN A 101 3.675 5.341 -10.224 1.00 0.00 H new ATOM 0 HB2 GLN A 101 1.639 6.926 -10.312 1.00 0.00 H new ATOM 0 HB3 GLN A 101 1.275 6.391 -8.683 1.00 0.00 H new ATOM 0 HG2 GLN A 101 2.508 8.480 -8.597 1.00 0.00 H new ATOM 0 HG3 GLN A 101 3.484 7.196 -7.912 1.00 0.00 H new ATOM 0 HE21 GLN A 101 5.176 6.213 -9.269 1.00 0.00 H new ATOM 0 HE22 GLN A 101 5.960 7.209 -10.499 1.00 0.00 H new ATOM 1586 N PHE A 102 2.003 3.876 -7.786 1.00 0.00 N ATOM 1587 CA PHE A 102 2.157 3.152 -6.529 1.00 0.00 C ATOM 1588 C PHE A 102 3.240 2.081 -6.638 1.00 0.00 C ATOM 1589 O PHE A 102 4.112 1.979 -5.775 1.00 0.00 O ATOM 1590 CB PHE A 102 0.824 2.525 -6.109 1.00 0.00 C ATOM 1591 CG PHE A 102 0.718 2.271 -4.632 1.00 0.00 C ATOM 1592 CD1 PHE A 102 1.095 3.248 -3.726 1.00 0.00 C ATOM 1593 CD2 PHE A 102 0.243 1.060 -4.148 1.00 0.00 C ATOM 1594 CE1 PHE A 102 1.001 3.026 -2.367 1.00 0.00 C ATOM 1595 CE2 PHE A 102 0.146 0.832 -2.790 1.00 0.00 C ATOM 1596 CZ PHE A 102 0.526 1.816 -1.897 1.00 0.00 C ATOM 0 H PHE A 102 1.049 3.899 -8.145 1.00 0.00 H new ATOM 0 HA PHE A 102 2.466 3.865 -5.765 1.00 0.00 H new ATOM 0 HB2 PHE A 102 0.010 3.182 -6.416 1.00 0.00 H new ATOM 0 HB3 PHE A 102 0.691 1.583 -6.642 1.00 0.00 H new ATOM 0 HD1 PHE A 102 1.467 4.195 -4.087 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -0.054 0.287 -4.842 1.00 0.00 H new ATOM 0 HE1 PHE A 102 1.298 3.797 -1.672 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -0.226 -0.114 -2.426 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.452 1.640 -0.834 1.00 0.00 H new ATOM 1606 N ALA A 103 3.189 1.289 -7.706 1.00 0.00 N ATOM 1607 CA ALA A 103 4.178 0.237 -7.920 1.00 0.00 C ATOM 1608 C ALA A 103 5.543 0.834 -8.228 1.00 0.00 C ATOM 1609 O ALA A 103 6.576 0.254 -7.898 1.00 0.00 O ATOM 1610 CB ALA A 103 3.748 -0.675 -9.055 1.00 0.00 C ATOM 0 H ALA A 103 2.477 1.355 -8.433 1.00 0.00 H new ATOM 0 HA ALA A 103 4.251 -0.348 -7.003 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.497 -1.453 -9.200 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.790 -1.134 -8.810 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.647 -0.093 -9.971 1.00 0.00 H new ATOM 1616 N ALA A 104 5.536 2.000 -8.865 1.00 0.00 N ATOM 1617 CA ALA A 104 6.772 2.688 -9.225 1.00 0.00 C ATOM 1618 C ALA A 104 7.744 2.719 -8.051 1.00 0.00 C ATOM 1619 O ALA A 104 8.812 2.102 -8.091 1.00 0.00 O ATOM 1620 CB ALA A 104 6.464 4.104 -9.690 1.00 0.00 C ATOM 0 H ALA A 104 4.686 2.490 -9.144 1.00 0.00 H new ATOM 0 HA ALA A 104 7.244 2.139 -10.040 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.392 4.609 -9.956 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.808 4.067 -10.560 1.00 0.00 H new ATOM 0 HB3 ALA A 104 5.970 4.651 -8.887 1.00 0.00 H new ATOM 1626 N GLY A 105 7.360 3.432 -7.001 1.00 0.00 N ATOM 1627 CA GLY A 105 8.203 3.523 -5.826 1.00 0.00 C ATOM 1628 C GLY A 105 8.331 2.195 -5.123 1.00 0.00 C ATOM 1629 O GLY A 105 9.424 1.789 -4.730 1.00 0.00 O ATOM 0 H GLY A 105 6.482 3.948 -6.942 1.00 0.00 H new ATOM 0 HA2 GLY A 105 9.192 3.878 -6.115 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.789 4.260 -5.138 1.00 0.00 H new ATOM 1633 N MET A 106 7.204 1.514 -4.970 1.00 0.00 N ATOM 1634 CA MET A 106 7.177 0.218 -4.315 1.00 0.00 C ATOM 1635 C MET A 106 8.231 -0.700 -4.914 1.00 0.00 C ATOM 1636 O MET A 106 9.131 -1.168 -4.220 1.00 0.00 O ATOM 1637 CB MET A 106 5.799 -0.415 -4.457 1.00 0.00 C ATOM 1638 CG MET A 106 5.733 -1.816 -3.891 1.00 0.00 C ATOM 1639 SD MET A 106 5.664 -1.822 -2.094 1.00 0.00 S ATOM 1640 CE MET A 106 5.761 -3.577 -1.799 1.00 0.00 C ATOM 0 H MET A 106 6.293 1.841 -5.293 1.00 0.00 H new ATOM 0 HA MET A 106 7.395 0.361 -3.257 1.00 0.00 H new ATOM 0 HB2 MET A 106 5.064 0.211 -3.951 1.00 0.00 H new ATOM 0 HB3 MET A 106 5.524 -0.441 -5.511 1.00 0.00 H new ATOM 0 HG2 MET A 106 4.855 -2.325 -4.288 1.00 0.00 H new ATOM 0 HG3 MET A 106 6.605 -2.381 -4.221 1.00 0.00 H new ATOM 0 HE1 MET A 106 4.886 -3.900 -1.236 1.00 0.00 H new ATOM 0 HE2 MET A 106 5.795 -4.105 -2.752 1.00 0.00 H new ATOM 0 HE3 MET A 106 6.662 -3.801 -1.228 1.00 0.00 H new ATOM 1650 N ALA A 107 8.110 -0.946 -6.213 1.00 0.00 N ATOM 1651 CA ALA A 107 9.055 -1.797 -6.924 1.00 0.00 C ATOM 1652 C ALA A 107 10.479 -1.463 -6.504 1.00 0.00 C ATOM 1653 O ALA A 107 11.300 -2.352 -6.285 1.00 0.00 O ATOM 1654 CB ALA A 107 8.889 -1.632 -8.427 1.00 0.00 C ATOM 0 H ALA A 107 7.364 -0.567 -6.796 1.00 0.00 H new ATOM 0 HA ALA A 107 8.852 -2.837 -6.668 1.00 0.00 H new ATOM 0 HB1 ALA A 107 9.602 -2.274 -8.944 1.00 0.00 H new ATOM 0 HB2 ALA A 107 7.875 -1.911 -8.714 1.00 0.00 H new ATOM 0 HB3 ALA A 107 9.071 -0.593 -8.701 1.00 0.00 H new ATOM 1660 N SER A 108 10.756 -0.167 -6.372 1.00 0.00 N ATOM 1661 CA SER A 108 12.072 0.291 -5.953 1.00 0.00 C ATOM 1662 C SER A 108 12.391 -0.223 -4.552 1.00 0.00 C ATOM 1663 O SER A 108 13.519 -0.630 -4.271 1.00 0.00 O ATOM 1664 CB SER A 108 12.139 1.819 -5.978 1.00 0.00 C ATOM 1665 OG SER A 108 13.455 2.269 -6.247 1.00 0.00 O ATOM 0 H SER A 108 10.085 0.581 -6.550 1.00 0.00 H new ATOM 0 HA SER A 108 12.812 -0.103 -6.650 1.00 0.00 H new ATOM 0 HB2 SER A 108 11.458 2.203 -6.737 1.00 0.00 H new ATOM 0 HB3 SER A 108 11.805 2.216 -5.020 1.00 0.00 H new ATOM 0 HG SER A 108 13.470 3.249 -6.259 1.00 0.00 H new ATOM 1671 N ALA A 109 11.386 -0.209 -3.677 1.00 0.00 N ATOM 1672 CA ALA A 109 11.560 -0.685 -2.307 1.00 0.00 C ATOM 1673 C ALA A 109 11.926 -2.163 -2.288 1.00 0.00 C ATOM 1674 O ALA A 109 12.899 -2.567 -1.653 1.00 0.00 O ATOM 1675 CB ALA A 109 10.294 -0.455 -1.493 1.00 0.00 C ATOM 0 H ALA A 109 10.447 0.126 -3.892 1.00 0.00 H new ATOM 0 HA ALA A 109 12.376 -0.118 -1.858 1.00 0.00 H new ATOM 0 HB1 ALA A 109 10.445 -0.817 -0.476 1.00 0.00 H new ATOM 0 HB2 ALA A 109 10.065 0.610 -1.469 1.00 0.00 H new ATOM 0 HB3 ALA A 109 9.464 -0.994 -1.950 1.00 0.00 H new ATOM 1681 N LEU A 110 11.129 -2.963 -2.985 1.00 0.00 N ATOM 1682 CA LEU A 110 11.348 -4.403 -3.053 1.00 0.00 C ATOM 1683 C LEU A 110 12.651 -4.734 -3.783 1.00 0.00 C ATOM 1684 O LEU A 110 13.217 -5.811 -3.599 1.00 0.00 O ATOM 1685 CB LEU A 110 10.165 -5.086 -3.750 1.00 0.00 C ATOM 1686 CG LEU A 110 8.781 -4.538 -3.382 1.00 0.00 C ATOM 1687 CD1 LEU A 110 7.728 -5.038 -4.361 1.00 0.00 C ATOM 1688 CD2 LEU A 110 8.410 -4.925 -1.956 1.00 0.00 C ATOM 0 H LEU A 110 10.320 -2.637 -3.514 1.00 0.00 H new ATOM 0 HA LEU A 110 11.429 -4.779 -2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 110 10.298 -4.995 -4.828 1.00 0.00 H new ATOM 0 HB3 LEU A 110 10.191 -6.150 -3.514 1.00 0.00 H new ATOM 0 HG LEU A 110 8.819 -3.450 -3.443 1.00 0.00 H new ATOM 0 HD11 LEU A 110 6.753 -4.638 -4.082 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.982 -4.707 -5.368 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.694 -6.127 -4.334 1.00 0.00 H new ATOM 0 HD21 LEU A 110 7.425 -4.526 -1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.394 -6.011 -1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 110 9.146 -4.515 -1.265 1.00 0.00 H new ATOM 1700 N GLU A 111 13.123 -3.804 -4.611 1.00 0.00 N ATOM 1701 CA GLU A 111 14.358 -4.002 -5.366 1.00 0.00 C ATOM 1702 C GLU A 111 15.580 -3.627 -4.537 1.00 0.00 C ATOM 1703 O GLU A 111 16.680 -4.135 -4.763 1.00 0.00 O ATOM 1704 CB GLU A 111 14.334 -3.167 -6.642 1.00 0.00 C ATOM 1705 CG GLU A 111 14.743 -3.943 -7.879 1.00 0.00 C ATOM 1706 CD GLU A 111 14.086 -3.421 -9.142 1.00 0.00 C ATOM 1707 OE1 GLU A 111 12.876 -3.668 -9.328 1.00 0.00 O ATOM 1708 OE2 GLU A 111 14.782 -2.766 -9.946 1.00 0.00 O ATOM 0 H GLU A 111 12.669 -2.906 -4.776 1.00 0.00 H new ATOM 0 HA GLU A 111 14.425 -5.060 -5.621 1.00 0.00 H new ATOM 0 HB2 GLU A 111 13.330 -2.769 -6.788 1.00 0.00 H new ATOM 0 HB3 GLU A 111 15.001 -2.313 -6.521 1.00 0.00 H new ATOM 0 HG2 GLU A 111 15.826 -3.895 -7.991 1.00 0.00 H new ATOM 0 HG3 GLU A 111 14.483 -4.993 -7.747 1.00 0.00 H new ATOM 1715 N ALA A 112 15.374 -2.757 -3.559 1.00 0.00 N ATOM 1716 CA ALA A 112 16.448 -2.331 -2.676 1.00 0.00 C ATOM 1717 C ALA A 112 16.296 -3.032 -1.343 1.00 0.00 C ATOM 1718 O ALA A 112 17.043 -2.791 -0.396 1.00 0.00 O ATOM 1719 CB ALA A 112 16.429 -0.820 -2.496 1.00 0.00 C ATOM 0 H ALA A 112 14.469 -2.331 -3.357 1.00 0.00 H new ATOM 0 HA ALA A 112 17.408 -2.598 -3.118 1.00 0.00 H new ATOM 0 HB1 ALA A 112 17.241 -0.522 -1.832 1.00 0.00 H new ATOM 0 HB2 ALA A 112 16.557 -0.337 -3.465 1.00 0.00 H new ATOM 0 HB3 ALA A 112 15.476 -0.517 -2.062 1.00 0.00 H new ATOM 1725 N LEU A 113 15.303 -3.908 -1.294 1.00 0.00 N ATOM 1726 CA LEU A 113 14.998 -4.672 -0.113 1.00 0.00 C ATOM 1727 C LEU A 113 15.670 -6.038 -0.186 1.00 0.00 C ATOM 1728 O LEU A 113 16.216 -6.531 0.801 1.00 0.00 O ATOM 1729 CB LEU A 113 13.484 -4.817 -0.012 1.00 0.00 C ATOM 1730 CG LEU A 113 12.800 -3.842 0.948 1.00 0.00 C ATOM 1731 CD1 LEU A 113 11.307 -4.130 1.036 1.00 0.00 C ATOM 1732 CD2 LEU A 113 13.446 -3.904 2.324 1.00 0.00 C ATOM 0 H LEU A 113 14.687 -4.103 -2.083 1.00 0.00 H new ATOM 0 HA LEU A 113 15.374 -4.163 0.774 1.00 0.00 H new ATOM 0 HB2 LEU A 113 13.055 -4.685 -1.005 1.00 0.00 H new ATOM 0 HB3 LEU A 113 13.252 -5.835 0.303 1.00 0.00 H new ATOM 0 HG LEU A 113 12.926 -2.832 0.558 1.00 0.00 H new ATOM 0 HD11 LEU A 113 10.840 -3.425 1.724 1.00 0.00 H new ATOM 0 HD12 LEU A 113 10.857 -4.025 0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 113 11.153 -5.146 1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 113 12.946 -3.203 2.993 1.00 0.00 H new ATOM 0 HD22 LEU A 113 13.356 -4.914 2.723 1.00 0.00 H new ATOM 0 HD23 LEU A 113 14.500 -3.639 2.243 1.00 0.00 H new ATOM 1744 N GLU A 114 15.632 -6.635 -1.373 1.00 0.00 N ATOM 1745 CA GLU A 114 16.240 -7.941 -1.597 1.00 0.00 C ATOM 1746 C GLU A 114 17.593 -7.796 -2.287 1.00 0.00 C ATOM 1747 O GLU A 114 18.502 -8.596 -2.064 1.00 0.00 O ATOM 1748 CB GLU A 114 15.316 -8.822 -2.444 1.00 0.00 C ATOM 1749 CG GLU A 114 13.842 -8.670 -2.101 1.00 0.00 C ATOM 1750 CD GLU A 114 13.048 -9.934 -2.369 1.00 0.00 C ATOM 1751 OE1 GLU A 114 13.666 -11.014 -2.471 1.00 0.00 O ATOM 1752 OE2 GLU A 114 11.807 -9.843 -2.477 1.00 0.00 O ATOM 0 H GLU A 114 15.185 -6.233 -2.197 1.00 0.00 H new ATOM 0 HA GLU A 114 16.392 -8.415 -0.627 1.00 0.00 H new ATOM 0 HB2 GLU A 114 15.462 -8.579 -3.497 1.00 0.00 H new ATOM 0 HB3 GLU A 114 15.604 -9.865 -2.315 1.00 0.00 H new ATOM 0 HG2 GLU A 114 13.743 -8.399 -1.050 1.00 0.00 H new ATOM 0 HG3 GLU A 114 13.420 -7.850 -2.682 1.00 0.00 H new ATOM 1759 N GLY A 115 17.724 -6.770 -3.125 1.00 0.00 N ATOM 1760 CA GLY A 115 18.973 -6.545 -3.830 1.00 0.00 C ATOM 1761 C GLY A 115 19.986 -5.790 -2.991 1.00 0.00 C ATOM 1762 O GLY A 115 20.948 -6.425 -2.509 1.00 0.00 O ATOM 1763 OXT GLY A 115 19.817 -4.565 -2.817 1.00 0.00 O ATOM 0 H GLY A 115 16.989 -6.093 -3.327 1.00 0.00 H new ATOM 0 HA2 GLY A 115 19.396 -7.504 -4.128 1.00 0.00 H new ATOM 0 HA3 GLY A 115 18.775 -5.986 -4.744 1.00 0.00 H new