USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 686 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 ASN : amide:sc= -6.46! C(o=-7.2!,f=-16!) USER MOD Set 1.2: A 94 SER OG : rot -88:sc= -0.768 USER MOD Single : A 23 HIS : no HD1:sc= -3.37 K(o=-3.4,f=-4.2!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -170:sc= -0.74 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -160:sc= 0.175 (180deg=0.0931) USER MOD Single : A 31 SER OG : rot 51:sc= 0.572 USER MOD Single : A 33 MET CE :methyl -157:sc= -2.23 (180deg=-4.6!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 70:sc= -2.15 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -4.28 K(o=-4.3,f=-2.2) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc=-0.000926 X(o=-0.00093,f=-0.069) USER MOD Single : A 76 HIS : no HD1:sc= -0.076 K(o=-0.076,f=-1.6) USER MOD Single : A 79 THR OG1 : rot 160:sc= 0 USER MOD Single : A 84 CYS SG : rot 180:sc= -0.494 USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.564 K(o=-0.56,f=-5.2!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 41:sc= -0.337 USER MOD Single : A 105 ASN : amide:sc= -3.67! C(o=-3.7!,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 56 N VAL A 20 -3.495 -13.900 -9.029 1.00 0.00 N ATOM 57 CA VAL A 20 -3.482 -12.543 -8.499 1.00 0.00 C ATOM 58 C VAL A 20 -3.344 -11.510 -9.613 1.00 0.00 C ATOM 59 O VAL A 20 -2.673 -11.751 -10.617 1.00 0.00 O ATOM 60 CB VAL A 20 -2.332 -12.346 -7.492 1.00 0.00 C ATOM 61 CG1 VAL A 20 -2.523 -13.246 -6.282 1.00 0.00 C ATOM 62 CG2 VAL A 20 -0.990 -12.610 -8.157 1.00 0.00 C ATOM 0 HA VAL A 20 -4.436 -12.397 -7.991 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.344 -11.311 -7.151 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.702 -13.093 -5.582 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.466 -13.003 -5.793 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.538 -14.288 -6.602 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.190 -12.466 -7.431 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.963 -13.634 -8.528 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.854 -11.919 -8.989 1.00 0.00 H new ATOM 72 N GLU A 21 -3.976 -10.356 -9.427 1.00 0.00 N ATOM 73 CA GLU A 21 -3.916 -9.285 -10.415 1.00 0.00 C ATOM 74 C GLU A 21 -3.079 -8.122 -9.896 1.00 0.00 C ATOM 75 O GLU A 21 -3.367 -7.560 -8.838 1.00 0.00 O ATOM 76 CB GLU A 21 -5.326 -8.803 -10.762 1.00 0.00 C ATOM 77 CG GLU A 21 -5.858 -9.367 -12.070 1.00 0.00 C ATOM 78 CD GLU A 21 -5.846 -8.347 -13.192 1.00 0.00 C ATOM 79 OE1 GLU A 21 -4.839 -7.619 -13.322 1.00 0.00 O ATOM 80 OE2 GLU A 21 -6.842 -8.277 -13.943 1.00 0.00 O ATOM 0 H GLU A 21 -4.535 -10.139 -8.602 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.445 -9.677 -11.317 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.004 -9.079 -9.955 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.325 -7.715 -10.819 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.257 -10.229 -12.361 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.877 -9.725 -11.920 1.00 0.00 H new ATOM 87 N LEU A 22 -2.036 -7.769 -10.643 1.00 0.00 N ATOM 88 CA LEU A 22 -1.150 -6.678 -10.259 1.00 0.00 C ATOM 89 C LEU A 22 -1.898 -5.351 -10.202 1.00 0.00 C ATOM 90 O LEU A 22 -2.793 -5.095 -11.007 1.00 0.00 O ATOM 91 CB LEU A 22 0.011 -6.571 -11.245 1.00 0.00 C ATOM 92 CG LEU A 22 1.184 -7.508 -10.963 1.00 0.00 C ATOM 93 CD1 LEU A 22 2.317 -7.251 -11.945 1.00 0.00 C ATOM 94 CD2 LEU A 22 1.670 -7.335 -9.532 1.00 0.00 C ATOM 0 H LEU A 22 -1.785 -8.225 -11.520 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.764 -6.897 -9.264 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.364 -6.774 -12.248 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.377 -5.544 -11.243 1.00 0.00 H new ATOM 0 HG LEU A 22 0.844 -8.536 -11.090 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.145 -7.927 -11.730 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.963 -7.422 -12.962 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.656 -6.220 -11.848 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.506 -8.010 -9.348 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.994 -6.306 -9.380 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.859 -7.566 -8.842 1.00 0.00 H new ATOM 106 N HIS A 23 -1.516 -4.507 -9.249 1.00 0.00 N ATOM 107 CA HIS A 23 -2.142 -3.200 -9.086 1.00 0.00 C ATOM 108 C HIS A 23 -1.168 -2.207 -8.459 1.00 0.00 C ATOM 109 O HIS A 23 -0.823 -2.320 -7.282 1.00 0.00 O ATOM 110 CB HIS A 23 -3.397 -3.309 -8.217 1.00 0.00 C ATOM 111 CG HIS A 23 -4.433 -4.238 -8.769 1.00 0.00 C ATOM 112 ND1 HIS A 23 -4.960 -4.111 -10.037 1.00 0.00 N ATOM 113 CD2 HIS A 23 -5.045 -5.313 -8.215 1.00 0.00 C ATOM 114 CE1 HIS A 23 -5.851 -5.067 -10.238 1.00 0.00 C ATOM 115 NE2 HIS A 23 -5.919 -5.810 -9.150 1.00 0.00 N ATOM 0 H HIS A 23 -0.775 -4.705 -8.577 1.00 0.00 H new ATOM 0 HA HIS A 23 -2.424 -2.839 -10.075 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -3.110 -3.649 -7.222 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -3.835 -2.318 -8.101 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -4.877 -5.705 -7.223 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -6.426 -5.215 -11.140 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -6.523 -6.622 -9.024 1.00 0.00 H new ATOM 124 N LYS A 24 -0.734 -1.230 -9.250 1.00 0.00 N ATOM 125 CA LYS A 24 0.191 -0.213 -8.767 1.00 0.00 C ATOM 126 C LYS A 24 -0.531 0.751 -7.833 1.00 0.00 C ATOM 127 O LYS A 24 -1.326 1.580 -8.274 1.00 0.00 O ATOM 128 CB LYS A 24 0.804 0.552 -9.941 1.00 0.00 C ATOM 129 CG LYS A 24 2.286 0.845 -9.768 1.00 0.00 C ATOM 130 CD LYS A 24 2.706 2.079 -10.548 1.00 0.00 C ATOM 131 CE LYS A 24 4.117 1.936 -11.095 1.00 0.00 C ATOM 132 NZ LYS A 24 4.145 1.158 -12.364 1.00 0.00 N ATOM 0 H LYS A 24 -1.008 -1.122 -10.227 1.00 0.00 H new ATOM 0 HA LYS A 24 0.993 -0.705 -8.216 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.660 -0.025 -10.855 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.269 1.493 -10.070 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.508 0.989 -8.711 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.869 -0.013 -10.102 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.010 2.245 -11.371 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.652 2.955 -9.902 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.542 2.925 -11.266 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.746 1.443 -10.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.125 1.083 -12.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.763 0.205 -12.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.566 1.641 -13.080 1.00 0.00 H new ATOM 146 N VAL A 25 -0.261 0.629 -6.538 1.00 0.00 N ATOM 147 CA VAL A 25 -0.900 1.482 -5.544 1.00 0.00 C ATOM 148 C VAL A 25 0.086 2.472 -4.939 1.00 0.00 C ATOM 149 O VAL A 25 1.240 2.137 -4.675 1.00 0.00 O ATOM 150 CB VAL A 25 -1.543 0.658 -4.403 1.00 0.00 C ATOM 151 CG1 VAL A 25 -3.048 0.875 -4.374 1.00 0.00 C ATOM 152 CG2 VAL A 25 -1.217 -0.824 -4.537 1.00 0.00 C ATOM 0 H VAL A 25 0.395 -0.051 -6.153 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.682 2.027 -6.072 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.122 1.006 -3.460 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.485 0.288 -3.566 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.260 1.932 -4.211 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.479 0.561 -5.324 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.684 -1.374 -3.720 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.597 -1.196 -5.489 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.137 -0.964 -4.498 1.00 0.00 H new ATOM 162 N THR A 26 -0.385 3.693 -4.710 1.00 0.00 N ATOM 163 CA THR A 26 0.440 4.738 -4.121 1.00 0.00 C ATOM 164 C THR A 26 -0.318 5.433 -2.993 1.00 0.00 C ATOM 165 O THR A 26 -1.254 6.194 -3.240 1.00 0.00 O ATOM 166 CB THR A 26 0.848 5.756 -5.188 1.00 0.00 C ATOM 167 OG1 THR A 26 1.570 5.125 -6.231 1.00 0.00 O ATOM 168 CG2 THR A 26 1.706 6.879 -4.649 1.00 0.00 C ATOM 0 H THR A 26 -1.339 3.983 -4.925 1.00 0.00 H new ATOM 0 HA THR A 26 1.341 4.282 -3.710 1.00 0.00 H new ATOM 0 HB THR A 26 -0.087 6.181 -5.554 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.957 5.806 -6.819 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.959 7.564 -5.458 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.157 7.417 -3.876 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.621 6.466 -4.224 1.00 0.00 H new ATOM 176 N LEU A 27 0.077 5.156 -1.755 1.00 0.00 N ATOM 177 CA LEU A 27 -0.581 5.746 -0.595 1.00 0.00 C ATOM 178 C LEU A 27 0.222 6.912 -0.026 1.00 0.00 C ATOM 179 O LEU A 27 1.311 7.228 -0.507 1.00 0.00 O ATOM 180 CB LEU A 27 -0.790 4.687 0.490 1.00 0.00 C ATOM 181 CG LEU A 27 -1.295 3.332 -0.013 1.00 0.00 C ATOM 182 CD1 LEU A 27 -0.133 2.375 -0.223 1.00 0.00 C ATOM 183 CD2 LEU A 27 -2.300 2.744 0.966 1.00 0.00 C ATOM 0 H LEU A 27 0.848 4.528 -1.529 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.547 6.128 -0.924 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.154 4.534 1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.500 5.073 1.221 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.793 3.483 -0.971 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.511 1.417 -0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.553 2.792 -0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.393 2.228 0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.650 1.781 0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.825 2.607 1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.147 3.422 1.069 1.00 0.00 H new ATOM 195 N TYR A 28 -0.328 7.544 1.006 1.00 0.00 N ATOM 196 CA TYR A 28 0.323 8.674 1.657 1.00 0.00 C ATOM 197 C TYR A 28 0.166 8.579 3.172 1.00 0.00 C ATOM 198 O TYR A 28 -0.927 8.317 3.675 1.00 0.00 O ATOM 199 CB TYR A 28 -0.266 9.994 1.155 1.00 0.00 C ATOM 200 CG TYR A 28 -0.184 10.166 -0.346 1.00 0.00 C ATOM 201 CD1 TYR A 28 -0.963 9.392 -1.196 1.00 0.00 C ATOM 202 CD2 TYR A 28 0.671 11.103 -0.910 1.00 0.00 C ATOM 203 CE1 TYR A 28 -0.892 9.547 -2.568 1.00 0.00 C ATOM 204 CE2 TYR A 28 0.748 11.264 -2.281 1.00 0.00 C ATOM 205 CZ TYR A 28 -0.035 10.485 -3.105 1.00 0.00 C ATOM 206 OH TYR A 28 0.040 10.642 -4.469 1.00 0.00 O ATOM 0 H TYR A 28 -1.229 7.290 1.411 1.00 0.00 H new ATOM 0 HA TYR A 28 1.384 8.645 1.409 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.310 10.056 1.462 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.257 10.821 1.635 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.635 8.657 -0.779 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.286 11.716 -0.268 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.504 8.937 -3.216 1.00 0.00 H new ATOM 0 HE2 TYR A 28 1.419 11.997 -2.704 1.00 0.00 H new ATOM 0 HH TYR A 28 0.690 11.344 -4.682 1.00 0.00 H new ATOM 216 N LYS A 29 1.260 8.788 3.896 1.00 0.00 N ATOM 217 CA LYS A 29 1.233 8.720 5.354 1.00 0.00 C ATOM 218 C LYS A 29 1.037 10.102 5.966 1.00 0.00 C ATOM 219 O LYS A 29 1.253 11.121 5.311 1.00 0.00 O ATOM 220 CB LYS A 29 2.525 8.096 5.886 1.00 0.00 C ATOM 221 CG LYS A 29 2.288 6.982 6.894 1.00 0.00 C ATOM 222 CD LYS A 29 3.343 6.989 7.991 1.00 0.00 C ATOM 223 CE LYS A 29 2.807 7.591 9.281 1.00 0.00 C ATOM 224 NZ LYS A 29 2.940 6.652 10.430 1.00 0.00 N ATOM 0 H LYS A 29 2.174 9.005 3.500 1.00 0.00 H new ATOM 0 HA LYS A 29 0.389 8.093 5.641 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.101 7.702 5.049 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.131 8.874 6.351 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.299 7.096 7.338 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.299 6.019 6.383 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.681 5.970 8.178 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.212 7.557 7.657 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.344 8.513 9.502 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.758 7.857 9.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.284 6.934 11.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.713 5.686 10.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.916 6.679 10.789 1.00 0.00 H new ATOM 238 N ASP A 30 0.628 10.125 7.230 1.00 0.00 N ATOM 239 CA ASP A 30 0.403 11.379 7.940 1.00 0.00 C ATOM 240 C ASP A 30 1.223 11.429 9.223 1.00 0.00 C ATOM 241 O ASP A 30 1.214 10.486 10.013 1.00 0.00 O ATOM 242 CB ASP A 30 -1.083 11.549 8.262 1.00 0.00 C ATOM 243 CG ASP A 30 -1.460 12.997 8.498 1.00 0.00 C ATOM 244 OD1 ASP A 30 -0.748 13.886 7.988 1.00 0.00 O ATOM 245 OD2 ASP A 30 -2.469 13.241 9.193 1.00 0.00 O ATOM 0 H ASP A 30 0.445 9.289 7.784 1.00 0.00 H new ATOM 0 HA ASP A 30 0.721 12.197 7.294 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.678 11.151 7.440 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.330 10.963 9.147 1.00 0.00 H new ATOM 250 N SER A 31 1.933 12.534 9.423 1.00 0.00 N ATOM 251 CA SER A 31 2.760 12.707 10.611 1.00 0.00 C ATOM 252 C SER A 31 1.913 12.636 11.877 1.00 0.00 C ATOM 253 O SER A 31 1.482 13.661 12.407 1.00 0.00 O ATOM 254 CB SER A 31 3.501 14.045 10.552 1.00 0.00 C ATOM 255 OG SER A 31 2.595 15.124 10.399 1.00 0.00 O ATOM 0 H SER A 31 1.952 13.323 8.777 1.00 0.00 H new ATOM 0 HA SER A 31 3.489 11.897 10.638 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.084 14.182 11.463 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.206 14.037 9.721 1.00 0.00 H new ATOM 0 HG SER A 31 1.894 15.062 11.081 1.00 0.00 H new ATOM 261 N GLY A 32 1.676 11.420 12.354 1.00 0.00 N ATOM 262 CA GLY A 32 0.880 11.237 13.554 1.00 0.00 C ATOM 263 C GLY A 32 0.071 9.952 13.536 1.00 0.00 C ATOM 264 O GLY A 32 -0.455 9.532 14.567 1.00 0.00 O ATOM 0 H GLY A 32 2.020 10.558 11.932 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.538 11.234 14.423 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.204 12.084 13.668 1.00 0.00 H new ATOM 268 N MET A 33 -0.032 9.324 12.368 1.00 0.00 N ATOM 269 CA MET A 33 -0.786 8.083 12.234 1.00 0.00 C ATOM 270 C MET A 33 0.035 6.891 12.720 1.00 0.00 C ATOM 271 O MET A 33 1.208 7.033 13.065 1.00 0.00 O ATOM 272 CB MET A 33 -1.205 7.873 10.776 1.00 0.00 C ATOM 273 CG MET A 33 -2.701 8.015 10.548 1.00 0.00 C ATOM 274 SD MET A 33 -3.296 9.686 10.873 1.00 0.00 S ATOM 275 CE MET A 33 -3.768 10.204 9.226 1.00 0.00 C ATOM 0 H MET A 33 0.396 9.654 11.503 1.00 0.00 H new ATOM 0 HA MET A 33 -1.679 8.159 12.854 1.00 0.00 H new ATOM 0 HB2 MET A 33 -0.680 8.593 10.148 1.00 0.00 H new ATOM 0 HB3 MET A 33 -0.889 6.880 10.455 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.935 7.744 9.519 1.00 0.00 H new ATOM 0 HG3 MET A 33 -3.231 7.313 11.191 1.00 0.00 H new ATOM 0 HE1 MET A 33 -3.764 11.293 9.172 1.00 0.00 H new ATOM 0 HE2 MET A 33 -3.060 9.802 8.501 1.00 0.00 H new ATOM 0 HE3 MET A 33 -4.768 9.834 9.001 1.00 0.00 H new ATOM 285 N GLU A 34 -0.592 5.720 12.748 1.00 0.00 N ATOM 286 CA GLU A 34 0.078 4.502 13.197 1.00 0.00 C ATOM 287 C GLU A 34 0.263 3.510 12.050 1.00 0.00 C ATOM 288 O GLU A 34 0.976 2.517 12.190 1.00 0.00 O ATOM 289 CB GLU A 34 -0.714 3.852 14.334 1.00 0.00 C ATOM 290 CG GLU A 34 0.112 3.605 15.586 1.00 0.00 C ATOM 291 CD GLU A 34 0.288 2.128 15.887 1.00 0.00 C ATOM 292 OE1 GLU A 34 -0.725 1.454 16.163 1.00 0.00 O ATOM 293 OE2 GLU A 34 1.442 1.649 15.848 1.00 0.00 O ATOM 0 H GLU A 34 -1.563 5.587 12.465 1.00 0.00 H new ATOM 0 HA GLU A 34 1.067 4.780 13.562 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.561 4.490 14.587 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.123 2.904 13.985 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.092 4.067 15.467 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.369 4.090 16.435 1.00 0.00 H new ATOM 300 N ASP A 35 -0.381 3.781 10.920 1.00 0.00 N ATOM 301 CA ASP A 35 -0.282 2.907 9.757 1.00 0.00 C ATOM 302 C ASP A 35 -0.574 3.674 8.471 1.00 0.00 C ATOM 303 O ASP A 35 -0.786 4.885 8.493 1.00 0.00 O ATOM 304 CB ASP A 35 -1.251 1.731 9.894 1.00 0.00 C ATOM 305 CG ASP A 35 -0.623 0.543 10.597 1.00 0.00 C ATOM 306 OD1 ASP A 35 0.085 -0.237 9.925 1.00 0.00 O ATOM 307 OD2 ASP A 35 -0.841 0.391 11.816 1.00 0.00 O ATOM 0 H ASP A 35 -0.976 4.598 10.785 1.00 0.00 H new ATOM 0 HA ASP A 35 0.738 2.526 9.707 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.133 2.053 10.448 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.590 1.426 8.904 1.00 0.00 H new ATOM 312 N PHE A 36 -0.581 2.957 7.350 1.00 0.00 N ATOM 313 CA PHE A 36 -0.844 3.569 6.053 1.00 0.00 C ATOM 314 C PHE A 36 -2.300 3.375 5.642 1.00 0.00 C ATOM 315 O PHE A 36 -2.611 3.262 4.457 1.00 0.00 O ATOM 316 CB PHE A 36 0.087 2.980 4.991 1.00 0.00 C ATOM 317 CG PHE A 36 1.111 3.955 4.487 1.00 0.00 C ATOM 318 CD1 PHE A 36 0.772 4.912 3.545 1.00 0.00 C ATOM 319 CD2 PHE A 36 2.413 3.917 4.960 1.00 0.00 C ATOM 320 CE1 PHE A 36 1.713 5.812 3.081 1.00 0.00 C ATOM 321 CE2 PHE A 36 3.358 4.814 4.500 1.00 0.00 C ATOM 322 CZ PHE A 36 3.008 5.762 3.561 1.00 0.00 C ATOM 0 H PHE A 36 -0.408 1.952 7.315 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.654 4.639 6.138 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.597 2.112 5.408 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.511 2.626 4.151 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.239 4.956 3.169 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.692 3.178 5.696 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.437 6.553 2.345 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.370 4.773 4.875 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.745 6.464 3.201 1.00 0.00 H new ATOM 332 N GLY A 37 -3.189 3.338 6.630 1.00 0.00 N ATOM 333 CA GLY A 37 -4.601 3.162 6.349 1.00 0.00 C ATOM 334 C GLY A 37 -4.951 1.743 5.938 1.00 0.00 C ATOM 335 O GLY A 37 -6.030 1.498 5.399 1.00 0.00 O ATOM 0 H GLY A 37 -2.956 3.427 7.619 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.178 3.431 7.234 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.896 3.848 5.555 1.00 0.00 H new ATOM 339 N PHE A 38 -4.042 0.805 6.193 1.00 0.00 N ATOM 340 CA PHE A 38 -4.276 -0.592 5.845 1.00 0.00 C ATOM 341 C PHE A 38 -3.159 -1.484 6.384 1.00 0.00 C ATOM 342 O PHE A 38 -1.993 -1.320 6.025 1.00 0.00 O ATOM 343 CB PHE A 38 -4.421 -0.746 4.325 1.00 0.00 C ATOM 344 CG PHE A 38 -3.126 -0.910 3.574 1.00 0.00 C ATOM 345 CD1 PHE A 38 -2.556 -2.163 3.419 1.00 0.00 C ATOM 346 CD2 PHE A 38 -2.488 0.186 3.011 1.00 0.00 C ATOM 347 CE1 PHE A 38 -1.379 -2.324 2.716 1.00 0.00 C ATOM 348 CE2 PHE A 38 -1.307 0.032 2.308 1.00 0.00 C ATOM 349 CZ PHE A 38 -0.752 -1.226 2.159 1.00 0.00 C ATOM 0 H PHE A 38 -3.142 0.986 6.637 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.208 -0.912 6.311 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.053 -1.610 4.121 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -4.941 0.129 3.935 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.039 -3.026 3.854 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.918 1.170 3.123 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.948 -3.308 2.601 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.819 0.893 1.876 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.169 -1.350 1.609 1.00 0.00 H new ATOM 359 N SER A 39 -3.526 -2.425 7.249 1.00 0.00 N ATOM 360 CA SER A 39 -2.558 -3.340 7.840 1.00 0.00 C ATOM 361 C SER A 39 -2.467 -4.628 7.032 1.00 0.00 C ATOM 362 O SER A 39 -3.443 -5.054 6.416 1.00 0.00 O ATOM 363 CB SER A 39 -2.940 -3.657 9.287 1.00 0.00 C ATOM 364 OG SER A 39 -2.307 -2.767 10.189 1.00 0.00 O ATOM 0 H SER A 39 -4.488 -2.573 7.556 1.00 0.00 H new ATOM 0 HA SER A 39 -1.582 -2.855 7.829 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.022 -3.590 9.404 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.657 -4.682 9.525 1.00 0.00 H new ATOM 0 HG SER A 39 -2.569 -2.990 11.107 1.00 0.00 H new ATOM 370 N VAL A 40 -1.286 -5.240 7.039 1.00 0.00 N ATOM 371 CA VAL A 40 -1.060 -6.480 6.307 1.00 0.00 C ATOM 372 C VAL A 40 -0.924 -7.667 7.258 1.00 0.00 C ATOM 373 O VAL A 40 -0.785 -7.492 8.469 1.00 0.00 O ATOM 374 CB VAL A 40 0.199 -6.385 5.425 1.00 0.00 C ATOM 375 CG1 VAL A 40 0.081 -5.222 4.452 1.00 0.00 C ATOM 376 CG2 VAL A 40 1.451 -6.247 6.279 1.00 0.00 C ATOM 0 H VAL A 40 -0.470 -4.896 7.545 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.929 -6.636 5.668 1.00 0.00 H new ATOM 0 HB VAL A 40 0.283 -7.308 4.851 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.979 -5.170 3.837 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.789 -5.370 3.812 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.032 -4.292 5.009 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.327 -6.182 5.633 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.380 -5.344 6.886 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.545 -7.116 6.930 1.00 0.00 H new ATOM 386 N ALA A 41 -0.964 -8.873 6.702 1.00 0.00 N ATOM 387 CA ALA A 41 -0.845 -10.090 7.499 1.00 0.00 C ATOM 388 C ALA A 41 0.253 -10.997 6.955 1.00 0.00 C ATOM 389 O ALA A 41 0.801 -10.751 5.882 1.00 0.00 O ATOM 390 CB ALA A 41 -2.178 -10.827 7.535 1.00 0.00 C ATOM 0 H ALA A 41 -1.078 -9.035 5.701 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.572 -9.807 8.516 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.077 -11.733 8.132 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.938 -10.183 7.978 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.474 -11.093 6.520 1.00 0.00 H new ATOM 396 N ASP A 42 0.571 -12.048 7.705 1.00 0.00 N ATOM 397 CA ASP A 42 1.605 -12.992 7.297 1.00 0.00 C ATOM 398 C ASP A 42 1.023 -14.102 6.428 1.00 0.00 C ATOM 399 O ASP A 42 -0.048 -14.636 6.720 1.00 0.00 O ATOM 400 CB ASP A 42 2.287 -13.596 8.526 1.00 0.00 C ATOM 401 CG ASP A 42 1.293 -14.198 9.501 1.00 0.00 C ATOM 402 OD1 ASP A 42 0.820 -15.325 9.246 1.00 0.00 O ATOM 403 OD2 ASP A 42 0.990 -13.542 10.520 1.00 0.00 O ATOM 0 H ASP A 42 0.128 -12.267 8.597 1.00 0.00 H new ATOM 0 HA ASP A 42 2.344 -12.447 6.709 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.990 -14.365 8.207 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.867 -12.824 9.032 1.00 0.00 H new ATOM 408 N GLY A 43 1.737 -14.448 5.363 1.00 0.00 N ATOM 409 CA GLY A 43 1.280 -15.495 4.468 1.00 0.00 C ATOM 410 C GLY A 43 2.050 -16.787 4.650 1.00 0.00 C ATOM 411 O GLY A 43 3.250 -16.845 4.381 1.00 0.00 O ATOM 0 H GLY A 43 2.626 -14.021 5.103 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.220 -15.680 4.641 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.381 -15.157 3.437 1.00 0.00 H new ATOM 415 N LEU A 44 1.360 -17.826 5.110 1.00 0.00 N ATOM 416 CA LEU A 44 1.992 -19.122 5.331 1.00 0.00 C ATOM 417 C LEU A 44 1.823 -20.031 4.123 1.00 0.00 C ATOM 418 O LEU A 44 2.675 -20.870 3.836 1.00 0.00 O ATOM 419 CB LEU A 44 1.411 -19.793 6.578 1.00 0.00 C ATOM 420 CG LEU A 44 2.253 -20.935 7.148 1.00 0.00 C ATOM 421 CD1 LEU A 44 3.199 -20.415 8.219 1.00 0.00 C ATOM 422 CD2 LEU A 44 1.357 -22.027 7.713 1.00 0.00 C ATOM 0 H LEU A 44 0.366 -17.796 5.336 1.00 0.00 H new ATOM 0 HA LEU A 44 3.058 -18.952 5.482 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.280 -19.037 7.352 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.420 -20.177 6.337 1.00 0.00 H new ATOM 0 HG LEU A 44 2.848 -21.361 6.340 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.791 -21.241 8.614 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.863 -19.667 7.786 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.622 -19.964 9.026 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.973 -22.832 8.114 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.737 -21.614 8.508 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.718 -22.419 6.922 1.00 0.00 H new ATOM 434 N LEU A 45 0.716 -19.854 3.422 1.00 0.00 N ATOM 435 CA LEU A 45 0.421 -20.651 2.237 1.00 0.00 C ATOM 436 C LEU A 45 1.101 -20.070 1.011 1.00 0.00 C ATOM 437 O LEU A 45 1.846 -20.753 0.308 1.00 0.00 O ATOM 438 CB LEU A 45 -1.090 -20.733 2.012 1.00 0.00 C ATOM 439 CG LEU A 45 -1.595 -22.076 1.481 1.00 0.00 C ATOM 440 CD1 LEU A 45 -1.907 -23.020 2.631 1.00 0.00 C ATOM 441 CD2 LEU A 45 -2.821 -21.873 0.605 1.00 0.00 C ATOM 0 H LEU A 45 0.002 -19.163 3.652 1.00 0.00 H new ATOM 0 HA LEU A 45 0.808 -21.657 2.400 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.594 -20.520 2.955 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.380 -19.950 1.311 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.810 -22.526 0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.265 -23.970 2.235 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.004 -23.189 3.218 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.676 -22.579 3.266 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.168 -22.838 0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.612 -21.403 1.189 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.563 -21.233 -0.239 1.00 0.00 H new ATOM 453 N GLU A 46 0.833 -18.800 0.766 1.00 0.00 N ATOM 454 CA GLU A 46 1.407 -18.093 -0.373 1.00 0.00 C ATOM 455 C GLU A 46 2.730 -17.422 -0.006 1.00 0.00 C ATOM 456 O GLU A 46 3.189 -16.524 -0.711 1.00 0.00 O ATOM 457 CB GLU A 46 0.424 -17.044 -0.903 1.00 0.00 C ATOM 458 CG GLU A 46 -1.036 -17.460 -0.801 1.00 0.00 C ATOM 459 CD GLU A 46 -1.405 -18.544 -1.796 1.00 0.00 C ATOM 460 OE1 GLU A 46 -1.220 -19.735 -1.470 1.00 0.00 O ATOM 461 OE2 GLU A 46 -1.879 -18.201 -2.898 1.00 0.00 O ATOM 0 H GLU A 46 0.216 -18.230 1.344 1.00 0.00 H new ATOM 0 HA GLU A 46 1.602 -18.830 -1.152 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.566 -16.115 -0.351 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.660 -16.834 -1.946 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.239 -17.815 0.209 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.670 -16.589 -0.966 1.00 0.00 H new ATOM 468 N LYS A 47 3.336 -17.862 1.102 1.00 0.00 N ATOM 469 CA LYS A 47 4.609 -17.309 1.580 1.00 0.00 C ATOM 470 C LYS A 47 4.775 -15.840 1.195 1.00 0.00 C ATOM 471 O LYS A 47 5.312 -15.522 0.134 1.00 0.00 O ATOM 472 CB LYS A 47 5.777 -18.126 1.025 1.00 0.00 C ATOM 473 CG LYS A 47 6.622 -18.787 2.102 1.00 0.00 C ATOM 474 CD LYS A 47 8.044 -18.244 2.111 1.00 0.00 C ATOM 475 CE LYS A 47 8.550 -18.027 3.527 1.00 0.00 C ATOM 476 NZ LYS A 47 9.665 -17.042 3.574 1.00 0.00 N ATOM 0 H LYS A 47 2.961 -18.607 1.690 1.00 0.00 H new ATOM 0 HA LYS A 47 4.603 -17.368 2.668 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.387 -18.895 0.358 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.412 -17.475 0.425 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.163 -18.623 3.077 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.644 -19.864 1.938 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.703 -18.939 1.591 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.078 -17.302 1.563 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.731 -17.678 4.156 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.887 -18.977 3.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.981 -16.922 4.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.457 -17.386 2.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.337 -16.128 3.203 1.00 0.00 H new ATOM 490 N GLY A 48 4.309 -14.951 2.065 1.00 0.00 N ATOM 491 CA GLY A 48 4.414 -13.528 1.802 1.00 0.00 C ATOM 492 C GLY A 48 3.581 -12.696 2.757 1.00 0.00 C ATOM 493 O GLY A 48 3.451 -13.034 3.933 1.00 0.00 O ATOM 0 H GLY A 48 3.860 -15.191 2.949 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.458 -13.224 1.877 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.097 -13.327 0.779 1.00 0.00 H new ATOM 497 N VAL A 49 3.018 -11.604 2.250 1.00 0.00 N ATOM 498 CA VAL A 49 2.194 -10.718 3.065 1.00 0.00 C ATOM 499 C VAL A 49 1.073 -10.098 2.237 1.00 0.00 C ATOM 500 O VAL A 49 1.274 -9.730 1.082 1.00 0.00 O ATOM 501 CB VAL A 49 3.035 -9.589 3.692 1.00 0.00 C ATOM 502 CG1 VAL A 49 2.193 -8.750 4.642 1.00 0.00 C ATOM 503 CG2 VAL A 49 4.248 -10.160 4.408 1.00 0.00 C ATOM 0 H VAL A 49 3.117 -11.311 1.278 1.00 0.00 H new ATOM 0 HA VAL A 49 1.764 -11.327 3.860 1.00 0.00 H new ATOM 0 HB VAL A 49 3.386 -8.940 2.890 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.808 -7.960 5.072 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.361 -8.305 4.095 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.805 -9.383 5.440 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.829 -9.347 4.844 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.920 -10.836 5.198 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.866 -10.707 3.696 1.00 0.00 H new ATOM 513 N TYR A 50 -0.107 -9.983 2.840 1.00 0.00 N ATOM 514 CA TYR A 50 -1.261 -9.405 2.159 1.00 0.00 C ATOM 515 C TYR A 50 -2.028 -8.480 3.095 1.00 0.00 C ATOM 516 O TYR A 50 -1.898 -8.570 4.315 1.00 0.00 O ATOM 517 CB TYR A 50 -2.194 -10.506 1.636 1.00 0.00 C ATOM 518 CG TYR A 50 -1.595 -11.893 1.671 1.00 0.00 C ATOM 519 CD1 TYR A 50 -1.621 -12.652 2.833 1.00 0.00 C ATOM 520 CD2 TYR A 50 -1.001 -12.441 0.542 1.00 0.00 C ATOM 521 CE1 TYR A 50 -1.071 -13.919 2.870 1.00 0.00 C ATOM 522 CE2 TYR A 50 -0.451 -13.707 0.569 1.00 0.00 C ATOM 523 CZ TYR A 50 -0.488 -14.442 1.735 1.00 0.00 C ATOM 524 OH TYR A 50 0.059 -15.705 1.768 1.00 0.00 O ATOM 0 H TYR A 50 -0.289 -10.282 3.798 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.894 -8.826 1.312 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.109 -10.503 2.228 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.477 -10.270 0.610 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.079 -12.245 3.723 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -0.969 -11.867 -0.372 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -1.098 -14.496 3.782 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.006 -14.119 -0.318 1.00 0.00 H new ATOM 0 HH TYR A 50 -0.657 -16.370 1.844 1.00 0.00 H new ATOM 534 N VAL A 51 -2.829 -7.590 2.519 1.00 0.00 N ATOM 535 CA VAL A 51 -3.615 -6.653 3.309 1.00 0.00 C ATOM 536 C VAL A 51 -4.620 -7.387 4.187 1.00 0.00 C ATOM 537 O VAL A 51 -5.440 -8.164 3.698 1.00 0.00 O ATOM 538 CB VAL A 51 -4.359 -5.646 2.412 1.00 0.00 C ATOM 539 CG1 VAL A 51 -5.143 -4.648 3.255 1.00 0.00 C ATOM 540 CG2 VAL A 51 -3.381 -4.925 1.497 1.00 0.00 C ATOM 0 H VAL A 51 -2.950 -7.499 1.510 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.917 -6.107 3.944 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.067 -6.197 1.793 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.661 -3.946 2.601 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.872 -5.181 3.865 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.458 -4.102 3.903 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.923 -4.217 0.870 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.647 -4.389 2.099 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.870 -5.652 0.865 1.00 0.00 H new ATOM 550 N LYS A 52 -4.545 -7.139 5.489 1.00 0.00 N ATOM 551 CA LYS A 52 -5.440 -7.774 6.446 1.00 0.00 C ATOM 552 C LYS A 52 -6.712 -6.958 6.627 1.00 0.00 C ATOM 553 O LYS A 52 -7.796 -7.511 6.816 1.00 0.00 O ATOM 554 CB LYS A 52 -4.723 -7.951 7.790 1.00 0.00 C ATOM 555 CG LYS A 52 -5.625 -8.436 8.915 1.00 0.00 C ATOM 556 CD LYS A 52 -5.296 -9.865 9.320 1.00 0.00 C ATOM 557 CE LYS A 52 -6.243 -10.369 10.397 1.00 0.00 C ATOM 558 NZ LYS A 52 -7.348 -11.192 9.829 1.00 0.00 N ATOM 0 H LYS A 52 -3.870 -6.499 5.907 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.722 -8.753 6.060 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.905 -8.660 7.663 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.278 -6.999 8.080 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.517 -7.779 9.778 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.666 -8.378 8.598 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.356 -10.515 8.447 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.270 -9.914 9.684 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.685 -10.962 11.122 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.664 -9.520 10.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.970 -11.515 10.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.897 -10.619 9.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.949 -12.016 9.336 1.00 0.00 H new ATOM 572 N ASN A 53 -6.568 -5.647 6.569 1.00 0.00 N ATOM 573 CA ASN A 53 -7.707 -4.746 6.729 1.00 0.00 C ATOM 574 C ASN A 53 -7.385 -3.349 6.208 1.00 0.00 C ATOM 575 O ASN A 53 -6.262 -2.865 6.349 1.00 0.00 O ATOM 576 CB ASN A 53 -8.117 -4.665 8.200 1.00 0.00 C ATOM 577 CG ASN A 53 -8.949 -5.854 8.636 1.00 0.00 C ATOM 578 OD1 ASN A 53 -10.158 -5.901 8.403 1.00 0.00 O ATOM 579 ND2 ASN A 53 -8.304 -6.825 9.272 1.00 0.00 N ATOM 0 H ASN A 53 -5.676 -5.177 6.413 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.534 -5.149 6.144 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.223 -4.604 8.820 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.683 -3.749 8.366 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.811 -7.652 9.589 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.302 -6.744 9.444 1.00 0.00 H new ATOM 586 N ILE A 54 -8.382 -2.708 5.608 1.00 0.00 N ATOM 587 CA ILE A 54 -8.215 -1.368 5.067 1.00 0.00 C ATOM 588 C ILE A 54 -9.323 -0.440 5.555 1.00 0.00 C ATOM 589 O ILE A 54 -10.499 -0.802 5.537 1.00 0.00 O ATOM 590 CB ILE A 54 -8.219 -1.389 3.530 1.00 0.00 C ATOM 591 CG1 ILE A 54 -7.251 -2.468 3.018 1.00 0.00 C ATOM 592 CG2 ILE A 54 -7.866 -0.010 2.984 1.00 0.00 C ATOM 593 CD1 ILE A 54 -6.494 -2.089 1.759 1.00 0.00 C ATOM 0 H ILE A 54 -9.316 -3.098 5.485 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.253 -0.996 5.418 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.218 -1.639 3.173 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.532 -2.695 3.805 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -7.814 -3.382 2.827 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.872 -0.038 1.894 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.599 0.718 3.333 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.874 0.277 3.334 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.835 -2.908 1.470 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.202 -1.892 0.954 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.900 -1.195 1.947 1.00 0.00 H new ATOM 605 N ARG A 55 -8.942 0.755 5.992 1.00 0.00 N ATOM 606 CA ARG A 55 -9.909 1.728 6.484 1.00 0.00 C ATOM 607 C ARG A 55 -10.837 2.185 5.357 1.00 0.00 C ATOM 608 O ARG A 55 -10.390 2.432 4.238 1.00 0.00 O ATOM 609 CB ARG A 55 -9.187 2.933 7.092 1.00 0.00 C ATOM 610 CG ARG A 55 -9.550 3.186 8.548 1.00 0.00 C ATOM 611 CD ARG A 55 -8.508 2.608 9.492 1.00 0.00 C ATOM 612 NE ARG A 55 -8.902 1.300 10.010 1.00 0.00 N ATOM 613 CZ ARG A 55 -9.860 1.120 10.916 1.00 0.00 C ATOM 614 NH1 ARG A 55 -10.525 2.159 11.405 1.00 0.00 N ATOM 615 NH2 ARG A 55 -10.154 -0.103 11.334 1.00 0.00 N ATOM 0 H ARG A 55 -7.973 1.072 6.016 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.512 1.251 7.256 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -8.111 2.778 7.016 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -9.424 3.822 6.507 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.643 4.258 8.720 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.523 2.744 8.763 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.556 2.519 8.969 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.352 3.295 10.324 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.414 0.477 9.657 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.303 3.102 11.087 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.258 2.014 12.099 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.646 -0.905 10.961 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.888 -0.242 12.028 1.00 0.00 H new ATOM 629 N PRO A 56 -12.147 2.303 5.639 1.00 0.00 N ATOM 630 CA PRO A 56 -13.132 2.729 4.641 1.00 0.00 C ATOM 631 C PRO A 56 -13.065 4.226 4.357 1.00 0.00 C ATOM 632 O PRO A 56 -13.472 5.040 5.185 1.00 0.00 O ATOM 633 CB PRO A 56 -14.467 2.366 5.290 1.00 0.00 C ATOM 634 CG PRO A 56 -14.205 2.447 6.754 1.00 0.00 C ATOM 635 CD PRO A 56 -12.773 2.025 6.947 1.00 0.00 C ATOM 0 HA PRO A 56 -12.966 2.253 3.675 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.255 3.056 4.989 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.791 1.367 5.000 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -14.366 3.460 7.123 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.881 1.795 7.307 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -12.294 2.588 7.748 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.698 0.970 7.210 1.00 0.00 H new ATOM 643 N ALA A 57 -12.550 4.576 3.178 1.00 0.00 N ATOM 644 CA ALA A 57 -12.424 5.975 2.765 1.00 0.00 C ATOM 645 C ALA A 57 -11.154 6.605 3.326 1.00 0.00 C ATOM 646 O ALA A 57 -11.099 7.811 3.558 1.00 0.00 O ATOM 647 CB ALA A 57 -13.648 6.782 3.180 1.00 0.00 C ATOM 0 H ALA A 57 -12.211 3.906 2.488 1.00 0.00 H new ATOM 0 HA ALA A 57 -12.358 5.990 1.677 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.527 7.817 2.860 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.538 6.360 2.713 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -13.756 6.747 4.264 1.00 0.00 H new ATOM 653 N GLY A 58 -10.134 5.780 3.536 1.00 0.00 N ATOM 654 CA GLY A 58 -8.877 6.276 4.064 1.00 0.00 C ATOM 655 C GLY A 58 -7.742 6.146 3.066 1.00 0.00 C ATOM 656 O GLY A 58 -7.985 5.990 1.869 1.00 0.00 O ATOM 0 H GLY A 58 -10.155 4.777 3.350 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.992 7.323 4.346 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.625 5.727 4.971 1.00 0.00 H new ATOM 660 N PRO A 59 -6.482 6.207 3.528 1.00 0.00 N ATOM 661 CA PRO A 59 -5.314 6.089 2.649 1.00 0.00 C ATOM 662 C PRO A 59 -5.397 4.867 1.742 1.00 0.00 C ATOM 663 O PRO A 59 -5.279 4.978 0.521 1.00 0.00 O ATOM 664 CB PRO A 59 -4.147 5.953 3.628 1.00 0.00 C ATOM 665 CG PRO A 59 -4.614 6.629 4.871 1.00 0.00 C ATOM 666 CD PRO A 59 -6.098 6.389 4.941 1.00 0.00 C ATOM 0 HA PRO A 59 -5.222 6.939 1.973 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -3.906 4.906 3.813 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -3.245 6.423 3.237 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.111 6.223 5.749 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -4.392 7.696 4.842 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.335 5.509 5.538 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.620 7.232 5.394 1.00 0.00 H new ATOM 674 N GLY A 60 -5.606 3.701 2.346 1.00 0.00 N ATOM 675 CA GLY A 60 -5.705 2.474 1.577 1.00 0.00 C ATOM 676 C GLY A 60 -6.813 2.526 0.542 1.00 0.00 C ATOM 677 O GLY A 60 -6.655 2.023 -0.572 1.00 0.00 O ATOM 0 H GLY A 60 -5.709 3.584 3.354 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.755 2.284 1.078 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.883 1.638 2.254 1.00 0.00 H new ATOM 681 N ASP A 61 -7.934 3.141 0.906 1.00 0.00 N ATOM 682 CA ASP A 61 -9.066 3.265 -0.001 1.00 0.00 C ATOM 683 C ASP A 61 -8.766 4.294 -1.081 1.00 0.00 C ATOM 684 O ASP A 61 -9.216 4.169 -2.219 1.00 0.00 O ATOM 685 CB ASP A 61 -10.327 3.662 0.770 1.00 0.00 C ATOM 686 CG ASP A 61 -11.544 2.871 0.333 1.00 0.00 C ATOM 687 OD1 ASP A 61 -11.922 2.968 -0.853 1.00 0.00 O ATOM 688 OD2 ASP A 61 -12.121 2.154 1.178 1.00 0.00 O ATOM 0 H ASP A 61 -8.081 3.561 1.824 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.237 2.298 -0.475 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.161 3.509 1.836 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.518 4.726 0.627 1.00 0.00 H new ATOM 693 N LEU A 62 -7.994 5.311 -0.710 1.00 0.00 N ATOM 694 CA LEU A 62 -7.625 6.365 -1.641 1.00 0.00 C ATOM 695 C LEU A 62 -6.644 5.842 -2.686 1.00 0.00 C ATOM 696 O LEU A 62 -6.629 6.307 -3.825 1.00 0.00 O ATOM 697 CB LEU A 62 -7.011 7.548 -0.891 1.00 0.00 C ATOM 698 CG LEU A 62 -8.001 8.375 -0.067 1.00 0.00 C ATOM 699 CD1 LEU A 62 -7.261 9.313 0.872 1.00 0.00 C ATOM 700 CD2 LEU A 62 -8.931 9.157 -0.982 1.00 0.00 C ATOM 0 H LEU A 62 -7.613 5.425 0.229 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.528 6.701 -2.150 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.232 7.173 -0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.525 8.204 -1.613 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.603 7.694 0.534 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.981 9.893 1.449 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.637 8.731 1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.634 9.989 0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.628 9.740 -0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.344 9.828 -1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.487 8.464 -1.613 1.00 0.00 H new ATOM 712 N GLY A 63 -5.829 4.869 -2.288 1.00 0.00 N ATOM 713 CA GLY A 63 -4.859 4.295 -3.200 1.00 0.00 C ATOM 714 C GLY A 63 -5.501 3.368 -4.213 1.00 0.00 C ATOM 715 O GLY A 63 -5.313 3.529 -5.419 1.00 0.00 O ATOM 0 H GLY A 63 -5.824 4.469 -1.350 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.337 5.096 -3.723 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.110 3.745 -2.631 1.00 0.00 H new ATOM 719 N GLY A 64 -6.264 2.395 -3.723 1.00 0.00 N ATOM 720 CA GLY A 64 -6.927 1.456 -4.610 1.00 0.00 C ATOM 721 C GLY A 64 -6.516 0.019 -4.357 1.00 0.00 C ATOM 722 O GLY A 64 -6.420 -0.779 -5.289 1.00 0.00 O ATOM 0 H GLY A 64 -6.435 2.240 -2.729 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.006 1.547 -4.487 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.700 1.717 -5.644 1.00 0.00 H new ATOM 726 N LEU A 65 -6.272 -0.316 -3.092 1.00 0.00 N ATOM 727 CA LEU A 65 -5.871 -1.667 -2.725 1.00 0.00 C ATOM 728 C LEU A 65 -6.947 -2.346 -1.885 1.00 0.00 C ATOM 729 O LEU A 65 -7.583 -1.713 -1.043 1.00 0.00 O ATOM 730 CB LEU A 65 -4.549 -1.640 -1.956 1.00 0.00 C ATOM 731 CG LEU A 65 -4.464 -0.593 -0.845 1.00 0.00 C ATOM 732 CD1 LEU A 65 -3.565 -1.083 0.279 1.00 0.00 C ATOM 733 CD2 LEU A 65 -3.955 0.730 -1.398 1.00 0.00 C ATOM 0 H LEU A 65 -6.346 0.331 -2.307 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.737 -2.239 -3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.381 -2.624 -1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.739 -1.463 -2.663 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.464 -0.435 -0.442 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.515 -0.326 1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.970 -2.006 0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.564 -1.268 -0.110 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.901 1.464 -0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.963 0.588 -1.827 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.636 1.088 -2.170 1.00 0.00 H new ATOM 745 N LYS A 66 -7.144 -3.639 -2.121 1.00 0.00 N ATOM 746 CA LYS A 66 -8.143 -4.409 -1.387 1.00 0.00 C ATOM 747 C LYS A 66 -7.494 -5.590 -0.671 1.00 0.00 C ATOM 748 O LYS A 66 -6.372 -5.977 -0.990 1.00 0.00 O ATOM 749 CB LYS A 66 -9.228 -4.907 -2.343 1.00 0.00 C ATOM 750 CG LYS A 66 -10.292 -3.865 -2.652 1.00 0.00 C ATOM 751 CD LYS A 66 -11.669 -4.315 -2.188 1.00 0.00 C ATOM 752 CE LYS A 66 -12.493 -3.145 -1.675 1.00 0.00 C ATOM 753 NZ LYS A 66 -13.955 -3.399 -1.798 1.00 0.00 N ATOM 0 H LYS A 66 -6.625 -4.176 -2.815 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.598 -3.760 -0.639 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.761 -5.225 -3.275 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.707 -5.786 -1.910 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.033 -2.925 -2.166 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.314 -3.674 -3.725 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.193 -4.796 -3.014 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.563 -5.060 -1.400 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -12.244 -2.956 -0.631 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -12.233 -2.245 -2.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -14.482 -2.578 -1.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -14.197 -3.554 -2.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -14.209 -4.243 -1.245 1.00 0.00 H new ATOM 767 N PRO A 67 -8.193 -6.184 0.313 1.00 0.00 N ATOM 768 CA PRO A 67 -7.681 -7.327 1.072 1.00 0.00 C ATOM 769 C PRO A 67 -7.032 -8.375 0.173 1.00 0.00 C ATOM 770 O PRO A 67 -7.478 -8.598 -0.951 1.00 0.00 O ATOM 771 CB PRO A 67 -8.930 -7.903 1.762 1.00 0.00 C ATOM 772 CG PRO A 67 -10.092 -7.107 1.250 1.00 0.00 C ATOM 773 CD PRO A 67 -9.532 -5.801 0.766 1.00 0.00 C ATOM 0 HA PRO A 67 -6.900 -7.029 1.772 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.050 -8.961 1.530 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.849 -7.821 2.846 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.599 -7.635 0.442 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.829 -6.946 2.037 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.129 -5.377 -0.042 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -9.495 -5.055 1.560 1.00 0.00 H new ATOM 781 N TYR A 68 -5.967 -9.001 0.680 1.00 0.00 N ATOM 782 CA TYR A 68 -5.223 -10.031 -0.055 1.00 0.00 C ATOM 783 C TYR A 68 -4.165 -9.410 -0.970 1.00 0.00 C ATOM 784 O TYR A 68 -3.346 -10.121 -1.548 1.00 0.00 O ATOM 785 CB TYR A 68 -6.157 -10.936 -0.866 1.00 0.00 C ATOM 786 CG TYR A 68 -7.172 -11.668 -0.017 1.00 0.00 C ATOM 787 CD1 TYR A 68 -6.826 -12.828 0.664 1.00 0.00 C ATOM 788 CD2 TYR A 68 -8.475 -11.201 0.104 1.00 0.00 C ATOM 789 CE1 TYR A 68 -7.747 -13.501 1.442 1.00 0.00 C ATOM 790 CE2 TYR A 68 -9.402 -11.868 0.883 1.00 0.00 C ATOM 791 CZ TYR A 68 -9.034 -13.018 1.549 1.00 0.00 C ATOM 792 OH TYR A 68 -9.954 -13.685 2.324 1.00 0.00 O ATOM 0 H TYR A 68 -5.595 -8.810 1.610 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.718 -10.646 0.690 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.682 -10.333 -1.607 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -5.559 -11.665 -1.413 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -5.819 -13.210 0.584 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.768 -10.303 -0.419 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -7.461 -14.402 1.964 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.410 -11.490 0.970 1.00 0.00 H new ATOM 0 HH TYR A 68 -10.812 -13.212 2.293 1.00 0.00 H new ATOM 802 N ASP A 69 -4.186 -8.082 -1.087 1.00 0.00 N ATOM 803 CA ASP A 69 -3.227 -7.362 -1.918 1.00 0.00 C ATOM 804 C ASP A 69 -1.801 -7.725 -1.527 1.00 0.00 C ATOM 805 O ASP A 69 -1.178 -7.058 -0.703 1.00 0.00 O ATOM 806 CB ASP A 69 -3.440 -5.853 -1.792 1.00 0.00 C ATOM 807 CG ASP A 69 -4.446 -5.327 -2.798 1.00 0.00 C ATOM 808 OD1 ASP A 69 -5.318 -6.110 -3.230 1.00 0.00 O ATOM 809 OD2 ASP A 69 -4.362 -4.132 -3.151 1.00 0.00 O ATOM 0 H ASP A 69 -4.861 -7.482 -0.613 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.387 -7.653 -2.956 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.782 -5.620 -0.784 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.488 -5.341 -1.932 1.00 0.00 H new ATOM 814 N ARG A 70 -1.302 -8.797 -2.118 1.00 0.00 N ATOM 815 CA ARG A 70 0.039 -9.280 -1.839 1.00 0.00 C ATOM 816 C ARG A 70 1.097 -8.295 -2.332 1.00 0.00 C ATOM 817 O ARG A 70 1.301 -8.140 -3.536 1.00 0.00 O ATOM 818 CB ARG A 70 0.232 -10.638 -2.502 1.00 0.00 C ATOM 819 CG ARG A 70 1.573 -11.285 -2.197 1.00 0.00 C ATOM 820 CD ARG A 70 1.982 -12.262 -3.288 1.00 0.00 C ATOM 821 NE ARG A 70 0.949 -13.265 -3.539 1.00 0.00 N ATOM 822 CZ ARG A 70 0.859 -13.974 -4.662 1.00 0.00 C ATOM 823 NH1 ARG A 70 1.736 -13.794 -5.643 1.00 0.00 N ATOM 824 NH2 ARG A 70 -0.110 -14.868 -4.807 1.00 0.00 N ATOM 0 H ARG A 70 -1.813 -9.355 -2.802 1.00 0.00 H new ATOM 0 HA ARG A 70 0.157 -9.378 -0.760 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.565 -11.307 -2.178 1.00 0.00 H new ATOM 0 HB3 ARG A 70 0.132 -10.522 -3.581 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.336 -10.513 -2.094 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.517 -11.807 -1.242 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.186 -11.714 -4.208 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.908 -12.759 -3.001 1.00 0.00 H new ATOM 0 HE ARG A 70 0.255 -13.432 -2.810 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.485 -13.109 -5.539 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.661 -14.341 -6.501 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.787 -15.013 -4.058 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.178 -15.411 -5.668 1.00 0.00 H new ATOM 838 N LEU A 71 1.768 -7.631 -1.394 1.00 0.00 N ATOM 839 CA LEU A 71 2.803 -6.662 -1.733 1.00 0.00 C ATOM 840 C LEU A 71 4.000 -7.352 -2.380 1.00 0.00 C ATOM 841 O LEU A 71 4.757 -8.059 -1.715 1.00 0.00 O ATOM 842 CB LEU A 71 3.249 -5.901 -0.485 1.00 0.00 C ATOM 843 CG LEU A 71 2.244 -4.870 0.035 1.00 0.00 C ATOM 844 CD1 LEU A 71 1.563 -5.376 1.297 1.00 0.00 C ATOM 845 CD2 LEU A 71 2.928 -3.536 0.293 1.00 0.00 C ATOM 0 H LEU A 71 1.612 -7.748 -0.393 1.00 0.00 H new ATOM 0 HA LEU A 71 2.384 -5.954 -2.448 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.452 -6.621 0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.188 -5.393 -0.703 1.00 0.00 H new ATOM 0 HG LEU A 71 1.481 -4.720 -0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.852 -4.629 1.651 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.035 -6.304 1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.313 -5.558 2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.196 -2.817 0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.714 -3.668 1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.365 -3.166 -0.635 1.00 0.00 H new ATOM 857 N LEU A 72 4.156 -7.147 -3.682 1.00 0.00 N ATOM 858 CA LEU A 72 5.254 -7.753 -4.428 1.00 0.00 C ATOM 859 C LEU A 72 6.531 -6.929 -4.311 1.00 0.00 C ATOM 860 O LEU A 72 7.629 -7.480 -4.233 1.00 0.00 O ATOM 861 CB LEU A 72 4.864 -7.911 -5.898 1.00 0.00 C ATOM 862 CG LEU A 72 3.739 -8.915 -6.159 1.00 0.00 C ATOM 863 CD1 LEU A 72 2.390 -8.213 -6.176 1.00 0.00 C ATOM 864 CD2 LEU A 72 3.976 -9.654 -7.466 1.00 0.00 C ATOM 0 H LEU A 72 3.536 -6.565 -4.245 1.00 0.00 H new ATOM 0 HA LEU A 72 5.450 -8.735 -3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.561 -6.938 -6.286 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.745 -8.219 -6.462 1.00 0.00 H new ATOM 0 HG LEU A 72 3.734 -9.645 -5.349 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.602 -8.943 -6.363 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.218 -7.732 -5.213 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.382 -7.460 -6.964 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.166 -10.364 -7.635 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.009 -8.939 -8.288 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.923 -10.191 -7.414 1.00 0.00 H new ATOM 876 N GLN A 73 6.386 -5.606 -4.306 1.00 0.00 N ATOM 877 CA GLN A 73 7.537 -4.714 -4.202 1.00 0.00 C ATOM 878 C GLN A 73 7.123 -3.343 -3.679 1.00 0.00 C ATOM 879 O GLN A 73 6.031 -2.856 -3.977 1.00 0.00 O ATOM 880 CB GLN A 73 8.217 -4.568 -5.564 1.00 0.00 C ATOM 881 CG GLN A 73 7.318 -3.964 -6.631 1.00 0.00 C ATOM 882 CD GLN A 73 7.987 -2.833 -7.389 1.00 0.00 C ATOM 883 OE1 GLN A 73 8.245 -2.941 -8.589 1.00 0.00 O ATOM 884 NE2 GLN A 73 8.273 -1.740 -6.692 1.00 0.00 N ATOM 0 H GLN A 73 5.486 -5.130 -4.372 1.00 0.00 H new ATOM 0 HA GLN A 73 8.241 -5.153 -3.494 1.00 0.00 H new ATOM 0 HB2 GLN A 73 9.104 -3.945 -5.453 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.556 -5.548 -5.899 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.022 -4.742 -7.334 1.00 0.00 H new ATOM 0 HG3 GLN A 73 6.406 -3.593 -6.164 1.00 0.00 H new ATOM 0 HE21 GLN A 73 8.042 -1.693 -5.700 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.724 -0.947 -7.149 1.00 0.00 H new ATOM 893 N VAL A 74 8.005 -2.724 -2.901 1.00 0.00 N ATOM 894 CA VAL A 74 7.739 -1.407 -2.337 1.00 0.00 C ATOM 895 C VAL A 74 8.709 -0.374 -2.895 1.00 0.00 C ATOM 896 O VAL A 74 9.902 -0.397 -2.586 1.00 0.00 O ATOM 897 CB VAL A 74 7.844 -1.423 -0.801 1.00 0.00 C ATOM 898 CG1 VAL A 74 7.370 -0.100 -0.218 1.00 0.00 C ATOM 899 CG2 VAL A 74 7.050 -2.584 -0.222 1.00 0.00 C ATOM 0 H VAL A 74 8.912 -3.115 -2.647 1.00 0.00 H new ATOM 0 HA VAL A 74 6.721 -1.136 -2.617 1.00 0.00 H new ATOM 0 HB VAL A 74 8.891 -1.558 -0.530 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.452 -0.131 0.868 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.987 0.710 -0.605 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.331 0.070 -0.499 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.137 -2.578 0.865 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.002 -2.484 -0.503 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.442 -3.523 -0.612 1.00 0.00 H new ATOM 909 N ASN A 75 8.193 0.528 -3.729 1.00 0.00 N ATOM 910 CA ASN A 75 9.007 1.575 -4.346 1.00 0.00 C ATOM 911 C ASN A 75 9.861 1.001 -5.470 1.00 0.00 C ATOM 912 O ASN A 75 9.779 1.439 -6.617 1.00 0.00 O ATOM 913 CB ASN A 75 9.900 2.262 -3.307 1.00 0.00 C ATOM 914 CG ASN A 75 9.129 2.697 -2.074 1.00 0.00 C ATOM 915 OD1 ASN A 75 8.136 2.076 -1.696 1.00 0.00 O ATOM 916 ND2 ASN A 75 9.585 3.773 -1.443 1.00 0.00 N ATOM 0 H ASN A 75 7.208 0.554 -3.994 1.00 0.00 H new ATOM 0 HA ASN A 75 8.329 2.319 -4.764 1.00 0.00 H new ATOM 0 HB2 ASN A 75 10.698 1.581 -3.011 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.376 3.132 -3.760 1.00 0.00 H new ATOM 0 HD21 ASN A 75 9.108 4.116 -0.609 1.00 0.00 H new ATOM 0 HD22 ASN A 75 10.412 4.257 -1.792 1.00 0.00 H new ATOM 923 N HIS A 76 10.675 0.015 -5.124 1.00 0.00 N ATOM 924 CA HIS A 76 11.551 -0.639 -6.087 1.00 0.00 C ATOM 925 C HIS A 76 12.141 -1.927 -5.514 1.00 0.00 C ATOM 926 O HIS A 76 12.678 -2.753 -6.252 1.00 0.00 O ATOM 927 CB HIS A 76 12.678 0.309 -6.506 1.00 0.00 C ATOM 928 CG HIS A 76 13.442 0.874 -5.349 1.00 0.00 C ATOM 929 ND1 HIS A 76 12.944 1.864 -4.528 1.00 0.00 N ATOM 930 CD2 HIS A 76 14.677 0.581 -4.876 1.00 0.00 C ATOM 931 CE1 HIS A 76 13.839 2.157 -3.602 1.00 0.00 C ATOM 932 NE2 HIS A 76 14.899 1.392 -3.790 1.00 0.00 N ATOM 0 H HIS A 76 10.748 -0.353 -4.175 1.00 0.00 H new ATOM 0 HA HIS A 76 10.954 -0.897 -6.961 1.00 0.00 H new ATOM 0 HB2 HIS A 76 13.367 -0.225 -7.161 1.00 0.00 H new ATOM 0 HB3 HIS A 76 12.256 1.128 -7.088 1.00 0.00 H new ATOM 0 HD2 HIS A 76 15.360 -0.153 -5.278 1.00 0.00 H new ATOM 0 HE1 HIS A 76 13.724 2.896 -2.823 1.00 0.00 H new ATOM 0 HE2 HIS A 76 15.745 1.402 -3.221 1.00 0.00 H new ATOM 941 N VAL A 77 12.037 -2.099 -4.195 1.00 0.00 N ATOM 942 CA VAL A 77 12.561 -3.290 -3.539 1.00 0.00 C ATOM 943 C VAL A 77 11.545 -4.426 -3.571 1.00 0.00 C ATOM 944 O VAL A 77 10.390 -4.250 -3.182 1.00 0.00 O ATOM 945 CB VAL A 77 12.946 -3.004 -2.074 1.00 0.00 C ATOM 946 CG1 VAL A 77 13.651 -4.204 -1.460 1.00 0.00 C ATOM 947 CG2 VAL A 77 13.818 -1.761 -1.985 1.00 0.00 C ATOM 0 H VAL A 77 11.596 -1.429 -3.565 1.00 0.00 H new ATOM 0 HA VAL A 77 13.454 -3.586 -4.090 1.00 0.00 H new ATOM 0 HB VAL A 77 12.033 -2.822 -1.508 1.00 0.00 H new ATOM 0 HG11 VAL A 77 13.914 -3.981 -0.426 1.00 0.00 H new ATOM 0 HG12 VAL A 77 12.988 -5.069 -1.488 1.00 0.00 H new ATOM 0 HG13 VAL A 77 14.557 -4.423 -2.026 1.00 0.00 H new ATOM 0 HG21 VAL A 77 14.080 -1.574 -0.944 1.00 0.00 H new ATOM 0 HG22 VAL A 77 14.727 -1.912 -2.567 1.00 0.00 H new ATOM 0 HG23 VAL A 77 13.272 -0.905 -2.381 1.00 0.00 H new ATOM 957 N ARG A 78 11.981 -5.593 -4.032 1.00 0.00 N ATOM 958 CA ARG A 78 11.106 -6.757 -4.107 1.00 0.00 C ATOM 959 C ARG A 78 10.769 -7.263 -2.709 1.00 0.00 C ATOM 960 O ARG A 78 11.660 -7.513 -1.897 1.00 0.00 O ATOM 961 CB ARG A 78 11.770 -7.867 -4.922 1.00 0.00 C ATOM 962 CG ARG A 78 12.076 -7.468 -6.356 1.00 0.00 C ATOM 963 CD ARG A 78 10.830 -7.515 -7.229 1.00 0.00 C ATOM 964 NE ARG A 78 10.715 -6.334 -8.081 1.00 0.00 N ATOM 965 CZ ARG A 78 9.948 -6.277 -9.168 1.00 0.00 C ATOM 966 NH1 ARG A 78 9.230 -7.329 -9.539 1.00 0.00 N ATOM 967 NH2 ARG A 78 9.900 -5.164 -9.886 1.00 0.00 N ATOM 0 H ARG A 78 12.933 -5.758 -4.359 1.00 0.00 H new ATOM 0 HA ARG A 78 10.181 -6.462 -4.602 1.00 0.00 H new ATOM 0 HB2 ARG A 78 12.697 -8.163 -4.430 1.00 0.00 H new ATOM 0 HB3 ARG A 78 11.119 -8.741 -4.928 1.00 0.00 H new ATOM 0 HG2 ARG A 78 12.495 -6.462 -6.373 1.00 0.00 H new ATOM 0 HG3 ARG A 78 12.834 -8.136 -6.766 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.856 -8.410 -7.851 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.946 -7.593 -6.596 1.00 0.00 H new ATOM 0 HE ARG A 78 11.253 -5.505 -7.829 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.263 -8.188 -8.990 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.645 -7.279 -10.373 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.450 -4.352 -9.606 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.313 -5.119 -10.719 1.00 0.00 H new ATOM 981 N THR A 79 9.477 -7.411 -2.433 1.00 0.00 N ATOM 982 CA THR A 79 9.027 -7.885 -1.132 1.00 0.00 C ATOM 983 C THR A 79 7.814 -8.799 -1.272 1.00 0.00 C ATOM 984 O THR A 79 6.951 -8.839 -0.397 1.00 0.00 O ATOM 985 CB THR A 79 8.686 -6.701 -0.223 1.00 0.00 C ATOM 986 OG1 THR A 79 7.454 -6.117 -0.602 1.00 0.00 O ATOM 987 CG2 THR A 79 9.737 -5.612 -0.242 1.00 0.00 C ATOM 0 H THR A 79 8.726 -7.210 -3.093 1.00 0.00 H new ATOM 0 HA THR A 79 9.839 -8.457 -0.683 1.00 0.00 H new ATOM 0 HB THR A 79 8.632 -7.115 0.784 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.095 -5.596 0.146 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.435 -4.803 0.423 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.690 -6.020 0.094 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.844 -5.227 -1.256 1.00 0.00 H new ATOM 995 N ARG A 80 7.760 -9.538 -2.375 1.00 0.00 N ATOM 996 CA ARG A 80 6.658 -10.457 -2.622 1.00 0.00 C ATOM 997 C ARG A 80 6.702 -11.615 -1.630 1.00 0.00 C ATOM 998 O ARG A 80 5.693 -11.957 -1.012 1.00 0.00 O ATOM 999 CB ARG A 80 6.720 -10.990 -4.054 1.00 0.00 C ATOM 1000 CG ARG A 80 5.355 -11.287 -4.651 1.00 0.00 C ATOM 1001 CD ARG A 80 5.132 -12.781 -4.829 1.00 0.00 C ATOM 1002 NE ARG A 80 5.247 -13.190 -6.228 1.00 0.00 N ATOM 1003 CZ ARG A 80 5.440 -14.446 -6.619 1.00 0.00 C ATOM 1004 NH1 ARG A 80 5.541 -15.421 -5.722 1.00 0.00 N ATOM 1005 NH2 ARG A 80 5.531 -14.732 -7.910 1.00 0.00 N ATOM 0 H ARG A 80 8.466 -9.518 -3.111 1.00 0.00 H new ATOM 0 HA ARG A 80 5.721 -9.916 -2.490 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.232 -10.261 -4.682 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.320 -11.900 -4.069 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.578 -10.878 -4.005 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.263 -10.788 -5.616 1.00 0.00 H new ATOM 0 HD2 ARG A 80 5.859 -13.330 -4.230 1.00 0.00 H new ATOM 0 HD3 ARG A 80 4.144 -13.047 -4.454 1.00 0.00 H new ATOM 0 HE ARG A 80 5.175 -12.469 -6.946 1.00 0.00 H new ATOM 0 HH11 ARG A 80 5.470 -15.208 -4.727 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.689 -16.383 -6.028 1.00 0.00 H new ATOM 0 HH21 ARG A 80 5.453 -13.988 -8.604 1.00 0.00 H new ATOM 0 HH22 ARG A 80 5.679 -15.696 -8.210 1.00 0.00 H new ATOM 1019 N ASP A 81 7.882 -12.211 -1.481 1.00 0.00 N ATOM 1020 CA ASP A 81 8.067 -13.325 -0.558 1.00 0.00 C ATOM 1021 C ASP A 81 8.567 -12.836 0.800 1.00 0.00 C ATOM 1022 O ASP A 81 9.193 -13.588 1.546 1.00 0.00 O ATOM 1023 CB ASP A 81 9.052 -14.340 -1.145 1.00 0.00 C ATOM 1024 CG ASP A 81 8.554 -15.767 -1.021 1.00 0.00 C ATOM 1025 OD1 ASP A 81 7.487 -16.076 -1.592 1.00 0.00 O ATOM 1026 OD2 ASP A 81 9.233 -16.577 -0.354 1.00 0.00 O ATOM 0 H ASP A 81 8.724 -11.940 -1.988 1.00 0.00 H new ATOM 0 HA ASP A 81 7.100 -13.807 -0.412 1.00 0.00 H new ATOM 0 HB2 ASP A 81 9.225 -14.108 -2.196 1.00 0.00 H new ATOM 0 HB3 ASP A 81 10.011 -14.247 -0.636 1.00 0.00 H new ATOM 1031 N PHE A 82 8.289 -11.573 1.115 1.00 0.00 N ATOM 1032 CA PHE A 82 8.713 -10.988 2.380 1.00 0.00 C ATOM 1033 C PHE A 82 7.758 -11.375 3.503 1.00 0.00 C ATOM 1034 O PHE A 82 6.719 -11.990 3.263 1.00 0.00 O ATOM 1035 CB PHE A 82 8.777 -9.462 2.261 1.00 0.00 C ATOM 1036 CG PHE A 82 10.142 -8.930 1.917 1.00 0.00 C ATOM 1037 CD1 PHE A 82 11.011 -9.665 1.127 1.00 0.00 C ATOM 1038 CD2 PHE A 82 10.551 -7.693 2.386 1.00 0.00 C ATOM 1039 CE1 PHE A 82 12.265 -9.173 0.810 1.00 0.00 C ATOM 1040 CE2 PHE A 82 11.802 -7.197 2.073 1.00 0.00 C ATOM 1041 CZ PHE A 82 12.660 -7.937 1.284 1.00 0.00 C ATOM 0 H PHE A 82 7.771 -10.936 0.509 1.00 0.00 H new ATOM 0 HA PHE A 82 9.705 -11.374 2.617 1.00 0.00 H new ATOM 0 HB2 PHE A 82 8.069 -9.138 1.498 1.00 0.00 H new ATOM 0 HB3 PHE A 82 8.454 -9.021 3.204 1.00 0.00 H new ATOM 0 HD1 PHE A 82 10.707 -10.632 0.755 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.884 -7.109 3.004 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.934 -9.755 0.193 1.00 0.00 H new ATOM 0 HE2 PHE A 82 12.109 -6.231 2.445 1.00 0.00 H new ATOM 0 HZ PHE A 82 13.638 -7.550 1.038 1.00 0.00 H new ATOM 1051 N ASP A 83 8.112 -11.004 4.727 1.00 0.00 N ATOM 1052 CA ASP A 83 7.285 -11.304 5.886 1.00 0.00 C ATOM 1053 C ASP A 83 6.644 -10.030 6.423 1.00 0.00 C ATOM 1054 O ASP A 83 7.118 -8.927 6.150 1.00 0.00 O ATOM 1055 CB ASP A 83 8.119 -11.974 6.981 1.00 0.00 C ATOM 1056 CG ASP A 83 7.400 -13.145 7.621 1.00 0.00 C ATOM 1057 OD1 ASP A 83 6.444 -12.907 8.388 1.00 0.00 O ATOM 1058 OD2 ASP A 83 7.792 -14.301 7.355 1.00 0.00 O ATOM 0 H ASP A 83 8.969 -10.494 4.942 1.00 0.00 H new ATOM 0 HA ASP A 83 6.497 -11.992 5.578 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.062 -12.318 6.556 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.365 -11.239 7.748 1.00 0.00 H new ATOM 1063 N CYS A 84 5.567 -10.183 7.184 1.00 0.00 N ATOM 1064 CA CYS A 84 4.868 -9.036 7.752 1.00 0.00 C ATOM 1065 C CYS A 84 5.843 -8.118 8.484 1.00 0.00 C ATOM 1066 O CYS A 84 5.766 -6.896 8.368 1.00 0.00 O ATOM 1067 CB CYS A 84 3.769 -9.501 8.709 1.00 0.00 C ATOM 1068 SG CYS A 84 2.626 -8.193 9.212 1.00 0.00 S ATOM 0 H CYS A 84 5.159 -11.087 7.422 1.00 0.00 H new ATOM 0 HA CYS A 84 4.412 -8.478 6.935 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.202 -10.301 8.233 1.00 0.00 H new ATOM 0 HB3 CYS A 84 4.233 -9.925 9.599 1.00 0.00 H new ATOM 0 HG CYS A 84 1.732 -8.684 10.018 1.00 0.00 H new ATOM 1074 N CYS A 85 6.761 -8.717 9.232 1.00 0.00 N ATOM 1075 CA CYS A 85 7.751 -7.956 9.977 1.00 0.00 C ATOM 1076 C CYS A 85 8.651 -7.152 9.038 1.00 0.00 C ATOM 1077 O CYS A 85 9.267 -6.169 9.448 1.00 0.00 O ATOM 1078 CB CYS A 85 8.601 -8.889 10.841 1.00 0.00 C ATOM 1079 SG CYS A 85 9.457 -8.062 12.201 1.00 0.00 S ATOM 0 H CYS A 85 6.839 -9.729 9.338 1.00 0.00 H new ATOM 0 HA CYS A 85 7.218 -7.258 10.622 1.00 0.00 H new ATOM 0 HB2 CYS A 85 7.961 -9.670 11.251 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.339 -9.381 10.207 1.00 0.00 H new ATOM 0 HG CYS A 85 10.147 -8.934 12.874 1.00 0.00 H new ATOM 1085 N LEU A 86 8.721 -7.577 7.778 1.00 0.00 N ATOM 1086 CA LEU A 86 9.547 -6.896 6.787 1.00 0.00 C ATOM 1087 C LEU A 86 8.720 -5.901 5.977 1.00 0.00 C ATOM 1088 O LEU A 86 9.218 -4.854 5.557 1.00 0.00 O ATOM 1089 CB LEU A 86 10.195 -7.919 5.849 1.00 0.00 C ATOM 1090 CG LEU A 86 11.563 -8.434 6.299 1.00 0.00 C ATOM 1091 CD1 LEU A 86 11.421 -9.334 7.517 1.00 0.00 C ATOM 1092 CD2 LEU A 86 12.250 -9.176 5.163 1.00 0.00 C ATOM 0 H LEU A 86 8.216 -8.388 7.421 1.00 0.00 H new ATOM 0 HA LEU A 86 10.327 -6.346 7.315 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.521 -8.769 5.742 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.300 -7.469 4.862 1.00 0.00 H new ATOM 0 HG LEU A 86 12.180 -7.579 6.576 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.405 -9.691 7.822 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.969 -8.772 8.334 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.787 -10.185 7.268 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.222 -9.536 5.499 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.635 -10.023 4.857 1.00 0.00 H new ATOM 0 HD23 LEU A 86 12.385 -8.502 4.317 1.00 0.00 H new ATOM 1104 N VAL A 87 7.452 -6.234 5.768 1.00 0.00 N ATOM 1105 CA VAL A 87 6.554 -5.375 5.012 1.00 0.00 C ATOM 1106 C VAL A 87 6.061 -4.207 5.858 1.00 0.00 C ATOM 1107 O VAL A 87 5.879 -3.100 5.351 1.00 0.00 O ATOM 1108 CB VAL A 87 5.346 -6.167 4.476 1.00 0.00 C ATOM 1109 CG1 VAL A 87 4.444 -5.274 3.639 1.00 0.00 C ATOM 1110 CG2 VAL A 87 5.818 -7.366 3.667 1.00 0.00 C ATOM 0 H VAL A 87 7.024 -7.093 6.112 1.00 0.00 H new ATOM 0 HA VAL A 87 7.123 -4.983 4.169 1.00 0.00 H new ATOM 0 HB VAL A 87 4.767 -6.529 5.325 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.598 -5.854 3.271 1.00 0.00 H new ATOM 0 HG12 VAL A 87 4.080 -4.449 4.251 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.007 -4.878 2.794 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.954 -7.916 3.294 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.420 -7.023 2.826 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.418 -8.019 4.301 1.00 0.00 H new ATOM 1120 N VAL A 88 5.844 -4.451 7.150 1.00 0.00 N ATOM 1121 CA VAL A 88 5.370 -3.401 8.042 1.00 0.00 C ATOM 1122 C VAL A 88 6.339 -2.217 8.052 1.00 0.00 C ATOM 1123 O VAL A 88 5.931 -1.074 7.849 1.00 0.00 O ATOM 1124 CB VAL A 88 5.151 -3.914 9.483 1.00 0.00 C ATOM 1125 CG1 VAL A 88 4.704 -2.783 10.398 1.00 0.00 C ATOM 1126 CG2 VAL A 88 4.132 -5.044 9.495 1.00 0.00 C ATOM 0 H VAL A 88 5.988 -5.357 7.596 1.00 0.00 H new ATOM 0 HA VAL A 88 4.405 -3.072 7.656 1.00 0.00 H new ATOM 0 HB VAL A 88 6.100 -4.298 9.857 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.556 -3.168 11.407 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.467 -2.005 10.415 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.768 -2.365 10.029 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.989 -5.394 10.517 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.183 -4.682 9.099 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.493 -5.866 8.877 1.00 0.00 H new ATOM 1136 N PRO A 89 7.644 -2.472 8.274 1.00 0.00 N ATOM 1137 CA PRO A 89 8.657 -1.416 8.287 1.00 0.00 C ATOM 1138 C PRO A 89 8.847 -0.808 6.902 1.00 0.00 C ATOM 1139 O PRO A 89 8.910 0.413 6.753 1.00 0.00 O ATOM 1140 CB PRO A 89 9.939 -2.132 8.738 1.00 0.00 C ATOM 1141 CG PRO A 89 9.491 -3.453 9.264 1.00 0.00 C ATOM 1142 CD PRO A 89 8.240 -3.792 8.510 1.00 0.00 C ATOM 0 HA PRO A 89 8.377 -0.590 8.940 1.00 0.00 H new ATOM 0 HB2 PRO A 89 10.633 -2.255 7.907 1.00 0.00 H new ATOM 0 HB3 PRO A 89 10.459 -1.559 9.506 1.00 0.00 H new ATOM 0 HG2 PRO A 89 10.257 -4.214 9.113 1.00 0.00 H new ATOM 0 HG3 PRO A 89 9.300 -3.402 10.336 1.00 0.00 H new ATOM 0 HD2 PRO A 89 8.457 -4.312 7.577 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.580 -4.438 9.089 1.00 0.00 H new ATOM 1150 N LEU A 90 8.929 -1.668 5.886 1.00 0.00 N ATOM 1151 CA LEU A 90 9.102 -1.211 4.515 1.00 0.00 C ATOM 1152 C LEU A 90 8.008 -0.214 4.136 1.00 0.00 C ATOM 1153 O LEU A 90 8.219 0.672 3.310 1.00 0.00 O ATOM 1154 CB LEU A 90 9.085 -2.399 3.552 1.00 0.00 C ATOM 1155 CG LEU A 90 10.407 -3.160 3.441 1.00 0.00 C ATOM 1156 CD1 LEU A 90 10.176 -4.554 2.879 1.00 0.00 C ATOM 1157 CD2 LEU A 90 11.392 -2.387 2.576 1.00 0.00 C ATOM 0 H LEU A 90 8.878 -2.681 5.990 1.00 0.00 H new ATOM 0 HA LEU A 90 10.068 -0.711 4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.308 -3.094 3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.805 -2.040 2.561 1.00 0.00 H new ATOM 0 HG LEU A 90 10.833 -3.262 4.439 1.00 0.00 H new ATOM 0 HD11 LEU A 90 11.128 -5.080 2.807 1.00 0.00 H new ATOM 0 HD12 LEU A 90 9.505 -5.105 3.538 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.729 -4.477 1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 90 12.328 -2.941 2.506 1.00 0.00 H new ATOM 0 HD22 LEU A 90 10.974 -2.254 1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.581 -1.411 3.023 1.00 0.00 H new ATOM 1169 N ILE A 91 6.840 -0.369 4.754 1.00 0.00 N ATOM 1170 CA ILE A 91 5.711 0.516 4.493 1.00 0.00 C ATOM 1171 C ILE A 91 5.883 1.844 5.225 1.00 0.00 C ATOM 1172 O ILE A 91 5.719 2.914 4.640 1.00 0.00 O ATOM 1173 CB ILE A 91 4.378 -0.144 4.921 1.00 0.00 C ATOM 1174 CG1 ILE A 91 4.069 -1.340 4.019 1.00 0.00 C ATOM 1175 CG2 ILE A 91 3.229 0.859 4.886 1.00 0.00 C ATOM 1176 CD1 ILE A 91 3.144 -2.353 4.655 1.00 0.00 C ATOM 0 H ILE A 91 6.652 -1.100 5.440 1.00 0.00 H new ATOM 0 HA ILE A 91 5.681 0.703 3.420 1.00 0.00 H new ATOM 0 HB ILE A 91 4.487 -0.493 5.948 1.00 0.00 H new ATOM 0 HG12 ILE A 91 3.619 -0.980 3.094 1.00 0.00 H new ATOM 0 HG13 ILE A 91 5.003 -1.832 3.749 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.306 0.366 5.192 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.444 1.682 5.568 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.115 1.247 3.874 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.969 -3.173 3.959 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.600 -2.741 5.566 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.195 -1.876 4.900 1.00 0.00 H new ATOM 1188 N ALA A 92 6.212 1.766 6.511 1.00 0.00 N ATOM 1189 CA ALA A 92 6.401 2.956 7.325 1.00 0.00 C ATOM 1190 C ALA A 92 7.705 3.677 6.989 1.00 0.00 C ATOM 1191 O ALA A 92 7.985 4.747 7.529 1.00 0.00 O ATOM 1192 CB ALA A 92 6.367 2.593 8.802 1.00 0.00 C ATOM 0 H ALA A 92 6.353 0.888 7.010 1.00 0.00 H new ATOM 0 HA ALA A 92 5.582 3.639 7.102 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.510 3.492 9.401 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.404 2.145 9.044 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.163 1.882 9.020 1.00 0.00 H new ATOM 1198 N GLU A 93 8.503 3.092 6.098 1.00 0.00 N ATOM 1199 CA GLU A 93 9.774 3.693 5.707 1.00 0.00 C ATOM 1200 C GLU A 93 9.657 4.441 4.382 1.00 0.00 C ATOM 1201 O GLU A 93 10.549 5.202 4.009 1.00 0.00 O ATOM 1202 CB GLU A 93 10.860 2.621 5.605 1.00 0.00 C ATOM 1203 CG GLU A 93 11.555 2.330 6.925 1.00 0.00 C ATOM 1204 CD GLU A 93 12.995 1.893 6.742 1.00 0.00 C ATOM 1205 OE1 GLU A 93 13.271 1.147 5.780 1.00 0.00 O ATOM 1206 OE2 GLU A 93 13.846 2.298 7.562 1.00 0.00 O ATOM 0 H GLU A 93 8.293 2.207 5.636 1.00 0.00 H new ATOM 0 HA GLU A 93 10.049 4.413 6.478 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.415 1.700 5.228 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.604 2.938 4.875 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.527 3.222 7.551 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.007 1.551 7.456 1.00 0.00 H new ATOM 1213 N SER A 94 8.556 4.220 3.673 1.00 0.00 N ATOM 1214 CA SER A 94 8.331 4.877 2.390 1.00 0.00 C ATOM 1215 C SER A 94 8.186 6.387 2.556 1.00 0.00 C ATOM 1216 O SER A 94 8.285 7.140 1.586 1.00 0.00 O ATOM 1217 CB SER A 94 7.088 4.304 1.709 1.00 0.00 C ATOM 1218 OG SER A 94 7.251 4.265 0.302 1.00 0.00 O ATOM 0 H SER A 94 7.806 3.592 3.964 1.00 0.00 H new ATOM 0 HA SER A 94 9.202 4.687 1.763 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.894 3.299 2.084 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.219 4.911 1.961 1.00 0.00 H new ATOM 0 HG SER A 94 6.961 5.118 -0.085 1.00 0.00 H new ATOM 1224 N GLY A 95 7.954 6.824 3.787 1.00 0.00 N ATOM 1225 CA GLY A 95 7.803 8.242 4.057 1.00 0.00 C ATOM 1226 C GLY A 95 6.368 8.713 3.920 1.00 0.00 C ATOM 1227 O GLY A 95 5.434 7.987 4.261 1.00 0.00 O ATOM 0 H GLY A 95 7.867 6.221 4.605 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.157 8.456 5.066 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.434 8.808 3.372 1.00 0.00 H new ATOM 1231 N ASN A 96 6.194 9.934 3.422 1.00 0.00 N ATOM 1232 CA ASN A 96 4.864 10.507 3.242 1.00 0.00 C ATOM 1233 C ASN A 96 4.134 9.872 2.057 1.00 0.00 C ATOM 1234 O ASN A 96 2.954 10.139 1.834 1.00 0.00 O ATOM 1235 CB ASN A 96 4.963 12.019 3.038 1.00 0.00 C ATOM 1236 CG ASN A 96 5.960 12.393 1.959 1.00 0.00 C ATOM 1237 OD1 ASN A 96 6.146 11.660 0.988 1.00 0.00 O ATOM 1238 ND2 ASN A 96 6.607 13.542 2.122 1.00 0.00 N ATOM 0 H ASN A 96 6.958 10.546 3.136 1.00 0.00 H new ATOM 0 HA ASN A 96 4.290 10.299 4.145 1.00 0.00 H new ATOM 0 HB2 ASN A 96 3.981 12.412 2.774 1.00 0.00 H new ATOM 0 HB3 ASN A 96 5.253 12.491 3.977 1.00 0.00 H new ATOM 0 HD21 ASN A 96 7.288 13.847 1.427 1.00 0.00 H new ATOM 0 HD22 ASN A 96 6.422 14.119 2.942 1.00 0.00 H new ATOM 1245 N LYS A 97 4.838 9.034 1.299 1.00 0.00 N ATOM 1246 CA LYS A 97 4.245 8.373 0.143 1.00 0.00 C ATOM 1247 C LYS A 97 4.689 6.916 0.070 1.00 0.00 C ATOM 1248 O LYS A 97 5.840 6.593 0.363 1.00 0.00 O ATOM 1249 CB LYS A 97 4.634 9.104 -1.144 1.00 0.00 C ATOM 1250 CG LYS A 97 3.507 9.931 -1.738 1.00 0.00 C ATOM 1251 CD LYS A 97 3.519 9.879 -3.257 1.00 0.00 C ATOM 1252 CE LYS A 97 4.790 10.488 -3.826 1.00 0.00 C ATOM 1253 NZ LYS A 97 4.589 11.901 -4.248 1.00 0.00 N ATOM 0 H LYS A 97 5.816 8.798 1.465 1.00 0.00 H new ATOM 0 HA LYS A 97 3.161 8.401 0.252 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.483 9.756 -0.939 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.965 8.373 -1.882 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.550 9.563 -1.368 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.600 10.966 -1.408 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.431 8.844 -3.587 1.00 0.00 H new ATOM 0 HD3 LYS A 97 2.652 10.413 -3.647 1.00 0.00 H new ATOM 0 HE2 LYS A 97 5.581 10.442 -3.077 1.00 0.00 H new ATOM 0 HE3 LYS A 97 5.124 9.898 -4.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 5.479 12.279 -4.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.852 11.943 -4.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 4.295 12.470 -3.428 1.00 0.00 H new ATOM 1267 N LEU A 98 3.772 6.038 -0.322 1.00 0.00 N ATOM 1268 CA LEU A 98 4.079 4.617 -0.429 1.00 0.00 C ATOM 1269 C LEU A 98 3.632 4.055 -1.772 1.00 0.00 C ATOM 1270 O LEU A 98 2.471 3.689 -1.947 1.00 0.00 O ATOM 1271 CB LEU A 98 3.404 3.836 0.703 1.00 0.00 C ATOM 1272 CG LEU A 98 4.226 2.683 1.289 1.00 0.00 C ATOM 1273 CD1 LEU A 98 3.318 1.709 2.022 1.00 0.00 C ATOM 1274 CD2 LEU A 98 5.009 1.963 0.200 1.00 0.00 C ATOM 0 H LEU A 98 2.814 6.284 -0.570 1.00 0.00 H new ATOM 0 HA LEU A 98 5.161 4.507 -0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 98 3.161 4.531 1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.461 3.435 0.332 1.00 0.00 H new ATOM 0 HG LEU A 98 4.940 3.100 1.999 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.914 0.895 2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.805 2.228 2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.582 1.304 1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.584 1.149 0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.317 1.559 -0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.688 2.665 -0.285 1.00 0.00 H new ATOM 1286 N ASP A 99 4.567 3.964 -2.711 1.00 0.00 N ATOM 1287 CA ASP A 99 4.271 3.418 -4.028 1.00 0.00 C ATOM 1288 C ASP A 99 4.705 1.961 -4.087 1.00 0.00 C ATOM 1289 O ASP A 99 5.884 1.653 -3.921 1.00 0.00 O ATOM 1290 CB ASP A 99 4.982 4.226 -5.115 1.00 0.00 C ATOM 1291 CG ASP A 99 4.244 4.189 -6.439 1.00 0.00 C ATOM 1292 OD1 ASP A 99 3.713 3.116 -6.794 1.00 0.00 O ATOM 1293 OD2 ASP A 99 4.196 5.235 -7.122 1.00 0.00 O ATOM 0 H ASP A 99 5.534 4.261 -2.584 1.00 0.00 H new ATOM 0 HA ASP A 99 3.197 3.479 -4.203 1.00 0.00 H new ATOM 0 HB2 ASP A 99 5.083 5.261 -4.787 1.00 0.00 H new ATOM 0 HB3 ASP A 99 5.990 3.836 -5.253 1.00 0.00 H new ATOM 1298 N LEU A 100 3.750 1.065 -4.304 1.00 0.00 N ATOM 1299 CA LEU A 100 4.056 -0.361 -4.357 1.00 0.00 C ATOM 1300 C LEU A 100 3.169 -1.095 -5.357 1.00 0.00 C ATOM 1301 O LEU A 100 2.124 -0.593 -5.768 1.00 0.00 O ATOM 1302 CB LEU A 100 3.885 -0.984 -2.971 1.00 0.00 C ATOM 1303 CG LEU A 100 2.589 -0.612 -2.250 1.00 0.00 C ATOM 1304 CD1 LEU A 100 1.528 -1.677 -2.478 1.00 0.00 C ATOM 1305 CD2 LEU A 100 2.842 -0.421 -0.761 1.00 0.00 C ATOM 0 H LEU A 100 2.767 1.296 -4.445 1.00 0.00 H new ATOM 0 HA LEU A 100 5.090 -0.462 -4.686 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.930 -2.069 -3.069 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.728 -0.685 -2.348 1.00 0.00 H new ATOM 0 HG LEU A 100 2.225 0.330 -2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.612 -1.396 -1.958 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.326 -1.767 -3.545 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.884 -2.633 -2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.908 -0.157 -0.264 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.230 -1.347 -0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.569 0.378 -0.615 1.00 0.00 H new ATOM 1317 N VAL A 101 3.596 -2.298 -5.725 1.00 0.00 N ATOM 1318 CA VAL A 101 2.850 -3.128 -6.660 1.00 0.00 C ATOM 1319 C VAL A 101 2.325 -4.371 -5.955 1.00 0.00 C ATOM 1320 O VAL A 101 3.093 -5.265 -5.598 1.00 0.00 O ATOM 1321 CB VAL A 101 3.724 -3.558 -7.853 1.00 0.00 C ATOM 1322 CG1 VAL A 101 2.888 -4.283 -8.897 1.00 0.00 C ATOM 1323 CG2 VAL A 101 4.423 -2.352 -8.462 1.00 0.00 C ATOM 0 H VAL A 101 4.460 -2.721 -5.387 1.00 0.00 H new ATOM 0 HA VAL A 101 2.017 -2.533 -7.035 1.00 0.00 H new ATOM 0 HB VAL A 101 4.486 -4.248 -7.491 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.524 -4.578 -9.731 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.439 -5.171 -8.451 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.101 -3.620 -9.257 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.036 -2.674 -9.304 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.678 -1.636 -8.809 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.057 -1.881 -7.711 1.00 0.00 H new ATOM 1333 N ILE A 102 1.014 -4.421 -5.750 1.00 0.00 N ATOM 1334 CA ILE A 102 0.388 -5.551 -5.079 1.00 0.00 C ATOM 1335 C ILE A 102 -0.317 -6.461 -6.079 1.00 0.00 C ATOM 1336 O ILE A 102 -0.490 -6.101 -7.243 1.00 0.00 O ATOM 1337 CB ILE A 102 -0.635 -5.075 -4.026 1.00 0.00 C ATOM 1338 CG1 ILE A 102 -1.750 -4.273 -4.703 1.00 0.00 C ATOM 1339 CG2 ILE A 102 0.049 -4.240 -2.948 1.00 0.00 C ATOM 1340 CD1 ILE A 102 -2.852 -5.139 -5.273 1.00 0.00 C ATOM 0 H ILE A 102 0.364 -3.690 -6.040 1.00 0.00 H new ATOM 0 HA ILE A 102 1.182 -6.108 -4.583 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.074 -5.950 -3.547 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.180 -3.580 -3.979 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -1.320 -3.671 -5.504 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.690 -3.915 -2.216 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.811 -4.841 -2.452 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.515 -3.367 -3.405 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.608 -4.506 -5.738 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -2.435 -5.814 -6.020 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.308 -5.721 -4.472 1.00 0.00 H new ATOM 1352 N SER A 103 -0.727 -7.636 -5.616 1.00 0.00 N ATOM 1353 CA SER A 103 -1.420 -8.594 -6.468 1.00 0.00 C ATOM 1354 C SER A 103 -2.518 -9.311 -5.691 1.00 0.00 C ATOM 1355 O SER A 103 -2.251 -9.969 -4.685 1.00 0.00 O ATOM 1356 CB SER A 103 -0.434 -9.614 -7.040 1.00 0.00 C ATOM 1357 OG SER A 103 -0.025 -10.541 -6.050 1.00 0.00 O ATOM 0 H SER A 103 -0.591 -7.948 -4.654 1.00 0.00 H new ATOM 0 HA SER A 103 -1.877 -8.045 -7.292 1.00 0.00 H new ATOM 0 HB2 SER A 103 -0.898 -10.146 -7.871 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.438 -9.096 -7.440 1.00 0.00 H new ATOM 0 HG SER A 103 -0.797 -10.800 -5.505 1.00 0.00 H new ATOM 1363 N ARG A 104 -3.755 -9.173 -6.156 1.00 0.00 N ATOM 1364 CA ARG A 104 -4.892 -9.807 -5.493 1.00 0.00 C ATOM 1365 C ARG A 104 -5.727 -10.613 -6.482 1.00 0.00 C ATOM 1366 O ARG A 104 -6.102 -10.117 -7.544 1.00 0.00 O ATOM 1367 CB ARG A 104 -5.764 -8.751 -4.813 1.00 0.00 C ATOM 1368 CG ARG A 104 -6.097 -7.569 -5.709 1.00 0.00 C ATOM 1369 CD ARG A 104 -7.390 -6.893 -5.282 1.00 0.00 C ATOM 1370 NE ARG A 104 -8.139 -6.375 -6.425 1.00 0.00 N ATOM 1371 CZ ARG A 104 -8.683 -7.144 -7.365 1.00 0.00 C ATOM 1372 NH1 ARG A 104 -8.564 -8.465 -7.305 1.00 0.00 N ATOM 1373 NH2 ARG A 104 -9.348 -6.592 -8.370 1.00 0.00 N ATOM 0 H ARG A 104 -3.997 -8.631 -6.985 1.00 0.00 H new ATOM 0 HA ARG A 104 -4.502 -10.491 -4.739 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -6.692 -9.217 -4.480 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -5.252 -8.388 -3.922 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -5.281 -6.847 -5.679 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -6.186 -7.907 -6.741 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -8.008 -7.605 -4.736 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -7.163 -6.076 -4.597 1.00 0.00 H new ATOM 0 HE ARG A 104 -8.251 -5.365 -6.507 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -8.053 -8.897 -6.535 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -8.984 -9.048 -8.029 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -9.443 -5.578 -8.423 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -9.765 -7.181 -9.090 1.00 0.00 H new ATOM 1387 N ASN A 105 -6.018 -11.858 -6.120 1.00 0.00 N ATOM 1388 CA ASN A 105 -6.813 -12.738 -6.969 1.00 0.00 C ATOM 1389 C ASN A 105 -8.243 -12.218 -7.103 1.00 0.00 C ATOM 1390 O ASN A 105 -8.721 -11.465 -6.254 1.00 0.00 O ATOM 1391 CB ASN A 105 -6.824 -14.154 -6.392 1.00 0.00 C ATOM 1392 CG ASN A 105 -5.430 -14.726 -6.238 1.00 0.00 C ATOM 1393 OD1 ASN A 105 -4.782 -14.544 -5.206 1.00 0.00 O ATOM 1394 ND2 ASN A 105 -4.957 -15.422 -7.266 1.00 0.00 N ATOM 0 H ASN A 105 -5.715 -12.281 -5.243 1.00 0.00 H new ATOM 0 HA ASN A 105 -6.360 -12.758 -7.960 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -7.319 -14.144 -5.421 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -7.411 -14.804 -7.042 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -4.023 -15.830 -7.219 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -5.528 -15.548 -8.102 1.00 0.00 H new ATOM 1401 N PRO A 106 -8.949 -12.618 -8.175 1.00 0.00 N ATOM 1402 CA PRO A 106 -10.331 -12.188 -8.415 1.00 0.00 C ATOM 1403 C PRO A 106 -11.225 -12.416 -7.201 1.00 0.00 C ATOM 1404 O PRO A 106 -10.842 -13.222 -6.327 1.00 0.00 O ATOM 1405 CB PRO A 106 -10.780 -13.071 -9.581 1.00 0.00 C ATOM 1406 CG PRO A 106 -9.523 -13.426 -10.295 1.00 0.00 C ATOM 1407 CD PRO A 106 -8.456 -13.516 -9.237 1.00 0.00 C ATOM 1408 OXT PRO A 106 -12.301 -11.785 -7.132 1.00 0.00 O ATOM 0 HA PRO A 106 -10.396 -11.120 -8.622 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -11.298 -13.962 -9.226 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -11.471 -12.540 -10.236 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -9.629 -14.373 -10.824 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -9.271 -12.671 -11.040 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -8.334 -14.537 -8.875 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -7.486 -13.195 -9.616 1.00 0.00 H new