USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 741 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 21 LYS NZ :NH3+ -117:sc= 0.767 (180deg=-0.835!) USER MOD Set 1.2: A 22 TYR OH : rot -24:sc= -2.96! USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.023) USER MOD Single : A 13 SER OG : rot 42:sc= 0.484 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -5.68! C(o=-5.7!,f=-15!) USER MOD Single : A 19 TYR OH : rot 0:sc= -4.11! USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.0143 X(o=-0.014,f=0.16) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0213 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -89:sc= -0.503 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -1:sc= 0.882 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.53) USER MOD Single : A 82 CYS SG : rot 180:sc= -1.2 USER MOD Single : A 84 GLN : amide:sc= -1.09 K(o=-1.1,f=-3.3!) USER MOD Single : A 85 ASN : amide:sc= -1.41 K(o=-1.4,f=-2.9!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot -58:sc= 0 USER MOD Single : A 95 SER OG : rot -41:sc= 0.967 USER MOD Single : A 104 HIS : no HD1:sc= -0.848 K(o=-0.85,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 31 N LEU A 9 4.629 -4.781 -1.652 1.00 0.00 N ATOM 32 CA LEU A 9 5.050 -5.591 -0.522 1.00 0.00 C ATOM 33 C LEU A 9 6.245 -4.924 0.162 1.00 0.00 C ATOM 34 O LEU A 9 6.366 -4.964 1.385 1.00 0.00 O ATOM 35 CB LEU A 9 5.320 -7.030 -0.965 1.00 0.00 C ATOM 36 CG LEU A 9 4.134 -7.777 -1.579 1.00 0.00 C ATOM 37 CD1 LEU A 9 4.281 -9.288 -1.392 1.00 0.00 C ATOM 38 CD2 LEU A 9 2.809 -7.257 -1.018 1.00 0.00 C ATOM 0 HA LEU A 9 4.253 -5.654 0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.132 -7.019 -1.692 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.672 -7.595 -0.102 1.00 0.00 H new ATOM 0 HG LEU A 9 4.128 -7.584 -2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.425 -9.795 -1.837 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.196 -9.627 -1.877 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.327 -9.520 -0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.982 -7.805 -1.471 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.790 -7.400 0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.709 -6.196 -1.246 1.00 0.00 H new ATOM 50 N THR A 10 7.096 -4.325 -0.658 1.00 0.00 N ATOM 51 CA THR A 10 8.277 -3.650 -0.147 1.00 0.00 C ATOM 52 C THR A 10 7.884 -2.609 0.902 1.00 0.00 C ATOM 53 O THR A 10 8.176 -2.774 2.086 1.00 0.00 O ATOM 54 CB THR A 10 9.034 -3.057 -1.337 1.00 0.00 C ATOM 55 OG1 THR A 10 9.526 -4.197 -2.038 1.00 0.00 O ATOM 56 CG2 THR A 10 10.298 -2.307 -0.912 1.00 0.00 C ATOM 0 H THR A 10 6.991 -4.293 -1.672 1.00 0.00 H new ATOM 0 HA THR A 10 8.941 -4.347 0.365 1.00 0.00 H new ATOM 0 HB THR A 10 8.377 -2.381 -1.884 1.00 0.00 H new ATOM 0 HG1 THR A 10 10.029 -3.904 -2.827 1.00 0.00 H new ATOM 0 HG21 THR A 10 10.797 -1.906 -1.794 1.00 0.00 H new ATOM 0 HG22 THR A 10 10.028 -1.489 -0.244 1.00 0.00 H new ATOM 0 HG23 THR A 10 10.970 -2.991 -0.394 1.00 0.00 H new ATOM 64 N GLN A 11 7.228 -1.558 0.431 1.00 0.00 N ATOM 65 CA GLN A 11 6.792 -0.490 1.314 1.00 0.00 C ATOM 66 C GLN A 11 5.855 -1.041 2.391 1.00 0.00 C ATOM 67 O GLN A 11 5.863 -0.568 3.526 1.00 0.00 O ATOM 68 CB GLN A 11 6.119 0.634 0.524 1.00 0.00 C ATOM 69 CG GLN A 11 7.064 1.825 0.352 1.00 0.00 C ATOM 70 CD GLN A 11 7.640 1.868 -1.065 1.00 0.00 C ATOM 71 OE1 GLN A 11 8.839 1.801 -1.278 1.00 0.00 O ATOM 72 NE2 GLN A 11 6.720 1.984 -2.019 1.00 0.00 N ATOM 0 H GLN A 11 6.988 -1.424 -0.551 1.00 0.00 H new ATOM 0 HA GLN A 11 7.670 -0.069 1.805 1.00 0.00 H new ATOM 0 HB2 GLN A 11 5.814 0.263 -0.454 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.214 0.955 1.040 1.00 0.00 H new ATOM 0 HG2 GLN A 11 6.528 2.752 0.559 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.876 1.757 1.076 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.732 2.035 -1.771 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.003 2.022 -2.998 1.00 0.00 H new ATOM 81 N LEU A 12 5.070 -2.032 1.996 1.00 0.00 N ATOM 82 CA LEU A 12 4.128 -2.652 2.913 1.00 0.00 C ATOM 83 C LEU A 12 4.820 -2.902 4.255 1.00 0.00 C ATOM 84 O LEU A 12 4.237 -2.664 5.311 1.00 0.00 O ATOM 85 CB LEU A 12 3.523 -3.911 2.289 1.00 0.00 C ATOM 86 CG LEU A 12 2.067 -4.207 2.655 1.00 0.00 C ATOM 87 CD1 LEU A 12 1.937 -4.574 4.135 1.00 0.00 C ATOM 88 CD2 LEU A 12 1.157 -3.039 2.272 1.00 0.00 C ATOM 0 H LEU A 12 5.067 -2.421 1.053 1.00 0.00 H new ATOM 0 HA LEU A 12 3.288 -1.985 3.106 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.594 -3.825 1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.132 -4.766 2.582 1.00 0.00 H new ATOM 0 HG LEU A 12 1.739 -5.072 2.079 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.892 -4.780 4.369 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.537 -5.460 4.344 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.289 -3.744 4.748 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.128 -3.275 2.543 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.475 -2.141 2.802 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.219 -2.867 1.197 1.00 0.00 H new ATOM 100 N SER A 13 6.053 -3.379 4.169 1.00 0.00 N ATOM 101 CA SER A 13 6.830 -3.664 5.363 1.00 0.00 C ATOM 102 C SER A 13 8.305 -3.843 4.998 1.00 0.00 C ATOM 103 O SER A 13 8.874 -4.913 5.206 1.00 0.00 O ATOM 104 CB SER A 13 6.305 -4.911 6.078 1.00 0.00 C ATOM 105 OG SER A 13 5.398 -4.583 7.126 1.00 0.00 O ATOM 0 H SER A 13 6.533 -3.575 3.291 1.00 0.00 H new ATOM 0 HA SER A 13 6.731 -2.819 6.044 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.807 -5.559 5.357 1.00 0.00 H new ATOM 0 HB3 SER A 13 7.144 -5.474 6.487 1.00 0.00 H new ATOM 0 HG SER A 13 4.797 -3.869 6.827 1.00 0.00 H new ATOM 111 N SER A 14 8.882 -2.778 4.460 1.00 0.00 N ATOM 112 CA SER A 14 10.279 -2.804 4.063 1.00 0.00 C ATOM 113 C SER A 14 10.603 -4.132 3.375 1.00 0.00 C ATOM 114 O SER A 14 11.742 -4.594 3.415 1.00 0.00 O ATOM 115 CB SER A 14 11.198 -2.594 5.269 1.00 0.00 C ATOM 116 OG SER A 14 12.017 -1.437 5.120 1.00 0.00 O ATOM 0 H SER A 14 8.407 -1.892 4.290 1.00 0.00 H new ATOM 0 HA SER A 14 10.451 -1.987 3.362 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.595 -2.498 6.172 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.831 -3.472 5.400 1.00 0.00 H new ATOM 0 HG SER A 14 12.588 -1.336 5.910 1.00 0.00 H new ATOM 122 N GLY A 15 9.581 -4.707 2.758 1.00 0.00 N ATOM 123 CA GLY A 15 9.742 -5.972 2.062 1.00 0.00 C ATOM 124 C GLY A 15 9.970 -7.117 3.051 1.00 0.00 C ATOM 125 O GLY A 15 10.894 -7.912 2.883 1.00 0.00 O ATOM 0 H GLY A 15 8.638 -4.320 2.726 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.855 -6.176 1.462 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.585 -5.908 1.374 1.00 0.00 H new ATOM 129 N ASN A 16 9.113 -7.164 4.060 1.00 0.00 N ATOM 130 CA ASN A 16 9.209 -8.199 5.075 1.00 0.00 C ATOM 131 C ASN A 16 8.471 -9.450 4.595 1.00 0.00 C ATOM 132 O ASN A 16 7.255 -9.425 4.411 1.00 0.00 O ATOM 133 CB ASN A 16 8.565 -7.745 6.387 1.00 0.00 C ATOM 134 CG ASN A 16 9.124 -8.532 7.574 1.00 0.00 C ATOM 135 OD1 ASN A 16 9.518 -9.681 7.460 1.00 0.00 O ATOM 136 ND2 ASN A 16 9.137 -7.851 8.716 1.00 0.00 N ATOM 0 H ASN A 16 8.349 -6.502 4.196 1.00 0.00 H new ATOM 0 HA ASN A 16 10.265 -8.407 5.244 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.745 -6.680 6.535 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.485 -7.881 6.332 1.00 0.00 H new ATOM 0 HD21 ASN A 16 9.492 -8.288 9.566 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.792 -6.891 8.742 1.00 0.00 H new ATOM 143 N PRO A 17 9.258 -10.542 4.399 1.00 0.00 N ATOM 144 CA PRO A 17 8.691 -11.800 3.943 1.00 0.00 C ATOM 145 C PRO A 17 7.937 -12.503 5.073 1.00 0.00 C ATOM 146 O PRO A 17 7.390 -13.587 4.878 1.00 0.00 O ATOM 147 CB PRO A 17 9.877 -12.602 3.431 1.00 0.00 C ATOM 148 CG PRO A 17 11.111 -11.959 4.043 1.00 0.00 C ATOM 149 CD PRO A 17 10.701 -10.608 4.606 1.00 0.00 C ATOM 0 HA PRO A 17 7.948 -11.667 3.157 1.00 0.00 H new ATOM 0 HB2 PRO A 17 9.796 -13.649 3.724 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.924 -12.578 2.342 1.00 0.00 H new ATOM 0 HG2 PRO A 17 11.521 -12.592 4.830 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.891 -11.839 3.292 1.00 0.00 H new ATOM 0 HD2 PRO A 17 10.953 -10.527 5.663 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.212 -9.794 4.093 1.00 0.00 H new ATOM 157 N VAL A 18 7.932 -11.857 6.230 1.00 0.00 N ATOM 158 CA VAL A 18 7.253 -12.407 7.391 1.00 0.00 C ATOM 159 C VAL A 18 5.773 -12.609 7.063 1.00 0.00 C ATOM 160 O VAL A 18 5.175 -13.607 7.463 1.00 0.00 O ATOM 161 CB VAL A 18 7.479 -11.504 8.606 1.00 0.00 C ATOM 162 CG1 VAL A 18 6.837 -10.131 8.395 1.00 0.00 C ATOM 163 CG2 VAL A 18 6.957 -12.163 9.884 1.00 0.00 C ATOM 0 H VAL A 18 8.387 -10.958 6.388 1.00 0.00 H new ATOM 0 HA VAL A 18 7.665 -13.383 7.647 1.00 0.00 H new ATOM 0 HB VAL A 18 8.553 -11.358 8.720 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.012 -9.509 9.273 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.277 -9.655 7.519 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.764 -10.250 8.243 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.130 -11.500 10.732 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.888 -12.354 9.785 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.480 -13.105 10.047 1.00 0.00 H new ATOM 173 N TYR A 19 5.223 -11.644 6.340 1.00 0.00 N ATOM 174 CA TYR A 19 3.823 -11.704 5.954 1.00 0.00 C ATOM 175 C TYR A 19 3.569 -12.863 4.989 1.00 0.00 C ATOM 176 O TYR A 19 2.500 -13.471 5.010 1.00 0.00 O ATOM 177 CB TYR A 19 3.528 -10.385 5.236 1.00 0.00 C ATOM 178 CG TYR A 19 3.105 -9.249 6.170 1.00 0.00 C ATOM 179 CD1 TYR A 19 4.047 -8.614 6.954 1.00 0.00 C ATOM 180 CD2 TYR A 19 1.782 -8.860 6.229 1.00 0.00 C ATOM 181 CE1 TYR A 19 3.649 -7.545 7.834 1.00 0.00 C ATOM 182 CE2 TYR A 19 1.385 -7.791 7.108 1.00 0.00 C ATOM 183 CZ TYR A 19 2.338 -7.187 7.867 1.00 0.00 C ATOM 184 OH TYR A 19 1.962 -6.177 8.698 1.00 0.00 O ATOM 0 H TYR A 19 5.721 -10.817 6.012 1.00 0.00 H new ATOM 0 HA TYR A 19 3.190 -11.856 6.828 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.416 -10.077 4.685 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.739 -10.551 4.502 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.082 -8.918 6.908 1.00 0.00 H new ATOM 0 HD2 TYR A 19 1.045 -9.357 5.616 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.375 -7.040 8.453 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.353 -7.476 7.163 1.00 0.00 H new ATOM 0 HH TYR A 19 2.747 -5.840 9.179 1.00 0.00 H new ATOM 194 N GLU A 20 4.571 -13.137 4.165 1.00 0.00 N ATOM 195 CA GLU A 20 4.469 -14.213 3.195 1.00 0.00 C ATOM 196 C GLU A 20 4.092 -15.522 3.891 1.00 0.00 C ATOM 197 O GLU A 20 3.383 -16.350 3.322 1.00 0.00 O ATOM 198 CB GLU A 20 5.772 -14.366 2.407 1.00 0.00 C ATOM 199 CG GLU A 20 5.542 -14.126 0.914 1.00 0.00 C ATOM 200 CD GLU A 20 5.505 -15.448 0.145 1.00 0.00 C ATOM 201 OE1 GLU A 20 4.903 -16.424 0.619 1.00 0.00 O ATOM 202 OE2 GLU A 20 6.130 -15.441 -0.983 1.00 0.00 O ATOM 0 H GLU A 20 5.457 -12.632 4.150 1.00 0.00 H new ATOM 0 HA GLU A 20 3.681 -13.962 2.485 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.513 -13.660 2.782 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.178 -15.366 2.560 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.604 -13.590 0.769 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.336 -13.493 0.517 1.00 0.00 H new ATOM 210 N LYS A 21 4.585 -15.668 5.113 1.00 0.00 N ATOM 211 CA LYS A 21 4.308 -16.863 5.893 1.00 0.00 C ATOM 212 C LYS A 21 2.803 -16.965 6.144 1.00 0.00 C ATOM 213 O LYS A 21 2.240 -18.059 6.127 1.00 0.00 O ATOM 214 CB LYS A 21 5.148 -16.873 7.172 1.00 0.00 C ATOM 215 CG LYS A 21 4.273 -17.134 8.400 1.00 0.00 C ATOM 216 CD LYS A 21 5.123 -17.562 9.598 1.00 0.00 C ATOM 217 CE LYS A 21 5.407 -16.375 10.520 1.00 0.00 C ATOM 218 NZ LYS A 21 4.449 -16.354 11.648 1.00 0.00 N ATOM 0 H LYS A 21 5.174 -14.979 5.581 1.00 0.00 H new ATOM 0 HA LYS A 21 4.600 -17.756 5.340 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.918 -17.641 7.100 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.660 -15.917 7.282 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.713 -16.233 8.650 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.542 -17.910 8.172 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.606 -18.344 10.154 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.063 -17.988 9.248 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.426 -16.439 10.902 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.335 -15.444 9.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.877 -15.487 11.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.825 -17.184 11.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.971 -16.376 12.547 1.00 0.00 H new ATOM 229 N TYR A 22 2.193 -15.811 6.373 1.00 0.00 N ATOM 230 CA TYR A 22 0.764 -15.758 6.627 1.00 0.00 C ATOM 231 C TYR A 22 -0.030 -15.872 5.325 1.00 0.00 C ATOM 232 O TYR A 22 -0.981 -16.648 5.239 1.00 0.00 O ATOM 233 CB TYR A 22 0.498 -14.387 7.254 1.00 0.00 C ATOM 234 CG TYR A 22 1.253 -14.144 8.562 1.00 0.00 C ATOM 235 CD1 TYR A 22 1.404 -15.171 9.472 1.00 0.00 C ATOM 236 CD2 TYR A 22 1.782 -12.899 8.833 1.00 0.00 C ATOM 237 CE1 TYR A 22 2.114 -14.942 10.704 1.00 0.00 C ATOM 238 CE2 TYR A 22 2.491 -12.670 10.065 1.00 0.00 C ATOM 239 CZ TYR A 22 2.623 -13.703 10.940 1.00 0.00 C ATOM 240 OH TYR A 22 3.293 -13.487 12.103 1.00 0.00 O ATOM 0 H TYR A 22 2.663 -14.906 6.388 1.00 0.00 H new ATOM 0 HA TYR A 22 0.459 -16.581 7.274 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.773 -13.612 6.538 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.571 -14.285 7.439 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.990 -16.146 9.260 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.664 -12.096 8.121 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.239 -15.737 11.425 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.909 -11.700 10.289 1.00 0.00 H new ATOM 0 HH TYR A 22 2.999 -14.136 12.776 1.00 0.00 H new ATOM 250 N TYR A 23 0.389 -15.088 4.342 1.00 0.00 N ATOM 251 CA TYR A 23 -0.271 -15.092 3.048 1.00 0.00 C ATOM 252 C TYR A 23 -0.341 -16.507 2.472 1.00 0.00 C ATOM 253 O TYR A 23 -1.208 -16.806 1.652 1.00 0.00 O ATOM 254 CB TYR A 23 0.593 -14.223 2.132 1.00 0.00 C ATOM 255 CG TYR A 23 0.421 -14.527 0.642 1.00 0.00 C ATOM 256 CD1 TYR A 23 1.070 -15.607 0.078 1.00 0.00 C ATOM 257 CD2 TYR A 23 -0.385 -13.722 -0.138 1.00 0.00 C ATOM 258 CE1 TYR A 23 0.908 -15.893 -1.324 1.00 0.00 C ATOM 259 CE2 TYR A 23 -0.547 -14.008 -1.540 1.00 0.00 C ATOM 260 CZ TYR A 23 0.107 -15.079 -2.063 1.00 0.00 C ATOM 261 OH TYR A 23 -0.046 -15.349 -3.388 1.00 0.00 O ATOM 0 H TYR A 23 1.178 -14.446 4.416 1.00 0.00 H new ATOM 0 HA TYR A 23 -1.292 -14.720 3.137 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.351 -13.175 2.309 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.640 -14.359 2.401 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.699 -16.238 0.688 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -0.894 -12.878 0.303 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.411 -16.734 -1.778 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -1.174 -13.386 -2.162 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.646 -14.686 -3.790 1.00 0.00 H new ATOM 271 N ARG A 24 0.583 -17.342 2.925 1.00 0.00 N ATOM 272 CA ARG A 24 0.637 -18.719 2.465 1.00 0.00 C ATOM 273 C ARG A 24 -0.147 -19.627 3.414 1.00 0.00 C ATOM 274 O ARG A 24 -0.576 -20.713 3.027 1.00 0.00 O ATOM 275 CB ARG A 24 2.083 -19.214 2.376 1.00 0.00 C ATOM 276 CG ARG A 24 2.144 -20.625 1.788 1.00 0.00 C ATOM 277 CD ARG A 24 3.100 -20.681 0.595 1.00 0.00 C ATOM 278 NE ARG A 24 3.849 -21.958 0.606 1.00 0.00 N ATOM 279 CZ ARG A 24 4.557 -22.429 -0.442 1.00 0.00 C ATOM 280 NH1 ARG A 24 4.619 -21.732 -1.596 1.00 0.00 N ATOM 281 NH2 ARG A 24 5.188 -23.583 -0.321 1.00 0.00 N ATOM 0 H ARG A 24 1.300 -17.091 3.606 1.00 0.00 H new ATOM 0 HA ARG A 24 0.191 -18.754 1.471 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.667 -18.533 1.757 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.534 -19.210 3.368 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.471 -21.328 2.554 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.147 -20.936 1.475 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.540 -20.586 -0.335 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.795 -19.842 0.635 1.00 0.00 H new ATOM 0 HE ARG A 24 3.829 -22.517 1.459 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.128 -20.842 -1.681 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.156 -22.095 -2.383 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.136 -24.104 0.555 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.728 -23.954 -1.103 1.00 0.00 H new ATOM 294 N GLN A 25 -0.312 -19.148 4.639 1.00 0.00 N ATOM 295 CA GLN A 25 -1.037 -19.903 5.646 1.00 0.00 C ATOM 296 C GLN A 25 -2.485 -20.125 5.203 1.00 0.00 C ATOM 297 O GLN A 25 -3.059 -21.183 5.453 1.00 0.00 O ATOM 298 CB GLN A 25 -0.981 -19.201 7.004 1.00 0.00 C ATOM 299 CG GLN A 25 0.248 -19.644 7.800 1.00 0.00 C ATOM 300 CD GLN A 25 -0.118 -19.939 9.256 1.00 0.00 C ATOM 301 OE1 GLN A 25 -0.081 -21.068 9.716 1.00 0.00 O ATOM 302 NE2 GLN A 25 -0.473 -18.863 9.953 1.00 0.00 N ATOM 0 H GLN A 25 0.044 -18.246 4.956 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.558 -20.876 5.757 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.954 -18.121 6.858 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.885 -19.424 7.570 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.680 -20.534 7.343 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.009 -18.865 7.763 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.482 -17.946 9.506 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.736 -18.955 10.934 1.00 0.00 H new ATOM 311 N VAL A 26 -3.034 -19.108 4.553 1.00 0.00 N ATOM 312 CA VAL A 26 -4.403 -19.179 4.074 1.00 0.00 C ATOM 313 C VAL A 26 -4.436 -19.943 2.748 1.00 0.00 C ATOM 314 O VAL A 26 -5.454 -20.536 2.395 1.00 0.00 O ATOM 315 CB VAL A 26 -4.993 -17.771 3.967 1.00 0.00 C ATOM 316 CG1 VAL A 26 -4.392 -16.843 5.025 1.00 0.00 C ATOM 317 CG2 VAL A 26 -4.798 -17.200 2.561 1.00 0.00 C ATOM 0 H VAL A 26 -2.555 -18.231 4.348 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.027 -19.726 4.780 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.065 -17.841 4.154 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.828 -15.849 4.927 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.606 -17.237 6.018 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.313 -16.781 4.884 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.226 -16.199 2.512 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.733 -17.151 2.333 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.295 -17.843 1.835 1.00 0.00 H new ATOM 327 N GLU A 27 -3.310 -19.903 2.051 1.00 0.00 N ATOM 328 CA GLU A 27 -3.197 -20.584 0.772 1.00 0.00 C ATOM 329 C GLU A 27 -3.677 -22.031 0.898 1.00 0.00 C ATOM 330 O GLU A 27 -3.453 -22.677 1.921 1.00 0.00 O ATOM 331 CB GLU A 27 -1.762 -20.526 0.245 1.00 0.00 C ATOM 332 CG GLU A 27 -1.670 -21.122 -1.161 1.00 0.00 C ATOM 333 CD GLU A 27 -0.648 -22.260 -1.207 1.00 0.00 C ATOM 334 OE1 GLU A 27 0.223 -22.347 -0.330 1.00 0.00 O ATOM 335 OE2 GLU A 27 -0.782 -23.073 -2.200 1.00 0.00 O ATOM 0 H GLU A 27 -2.468 -19.410 2.348 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.834 -20.072 0.051 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.418 -19.492 0.229 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.101 -21.071 0.919 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.648 -21.494 -1.467 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.387 -20.345 -1.872 1.00 0.00 H new ATOM 343 N ALA A 28 -4.328 -22.499 -0.157 1.00 0.00 N ATOM 344 CA ALA A 28 -4.841 -23.858 -0.178 1.00 0.00 C ATOM 345 C ALA A 28 -4.209 -24.619 -1.345 1.00 0.00 C ATOM 346 O ALA A 28 -3.947 -24.042 -2.399 1.00 0.00 O ATOM 347 CB ALA A 28 -6.368 -23.826 -0.262 1.00 0.00 C ATOM 0 H ALA A 28 -4.512 -21.961 -1.004 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.576 -24.382 0.740 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.753 -24.846 -0.278 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.769 -23.300 0.604 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.672 -23.309 -1.173 1.00 0.00 H new ATOM 353 N GLY A 29 -3.982 -25.905 -1.118 1.00 0.00 N ATOM 354 CA GLY A 29 -3.386 -26.751 -2.137 1.00 0.00 C ATOM 355 C GLY A 29 -1.871 -26.546 -2.203 1.00 0.00 C ATOM 356 O GLY A 29 -1.304 -25.819 -1.389 1.00 0.00 O ATOM 0 H GLY A 29 -4.200 -26.381 -0.243 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.606 -27.796 -1.921 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.830 -26.526 -3.107 1.00 0.00 H new ATOM 360 N ASN A 30 -1.259 -27.200 -3.180 1.00 0.00 N ATOM 361 CA ASN A 30 0.178 -27.099 -3.362 1.00 0.00 C ATOM 362 C ASN A 30 0.471 -26.380 -4.681 1.00 0.00 C ATOM 363 O ASN A 30 1.365 -26.781 -5.425 1.00 0.00 O ATOM 364 CB ASN A 30 0.825 -28.484 -3.425 1.00 0.00 C ATOM 365 CG ASN A 30 2.208 -28.474 -2.771 1.00 0.00 C ATOM 366 OD1 ASN A 30 3.112 -27.765 -3.182 1.00 0.00 O ATOM 367 ND2 ASN A 30 2.321 -29.296 -1.732 1.00 0.00 N ATOM 0 H ASN A 30 -1.733 -27.802 -3.854 1.00 0.00 H new ATOM 0 HA ASN A 30 0.587 -26.549 -2.515 1.00 0.00 H new ATOM 0 HB2 ASN A 30 0.187 -29.211 -2.922 1.00 0.00 H new ATOM 0 HB3 ASN A 30 0.913 -28.801 -4.464 1.00 0.00 H new ATOM 0 HD21 ASN A 30 3.205 -29.361 -1.227 1.00 0.00 H new ATOM 0 HD22 ASN A 30 1.524 -29.862 -1.440 1.00 0.00 H new ATOM 374 N THR A 31 -0.299 -25.332 -4.931 1.00 0.00 N ATOM 375 CA THR A 31 -0.134 -24.554 -6.147 1.00 0.00 C ATOM 376 C THR A 31 0.562 -23.226 -5.840 1.00 0.00 C ATOM 377 O THR A 31 1.215 -22.649 -6.708 1.00 0.00 O ATOM 378 CB THR A 31 -1.512 -24.383 -6.790 1.00 0.00 C ATOM 379 OG1 THR A 31 -2.303 -23.791 -5.764 1.00 0.00 O ATOM 380 CG2 THR A 31 -2.199 -25.722 -7.065 1.00 0.00 C ATOM 0 H THR A 31 -1.040 -25.003 -4.312 1.00 0.00 H new ATOM 0 HA THR A 31 0.512 -25.067 -6.860 1.00 0.00 H new ATOM 0 HB THR A 31 -1.411 -23.828 -7.723 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.213 -23.644 -6.097 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.173 -25.544 -7.521 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.584 -26.314 -7.742 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.331 -26.263 -6.128 1.00 0.00 H new ATOM 388 N GLY A 32 0.399 -22.781 -4.603 1.00 0.00 N ATOM 389 CA GLY A 32 1.004 -21.533 -4.171 1.00 0.00 C ATOM 390 C GLY A 32 0.104 -20.342 -4.510 1.00 0.00 C ATOM 391 O GLY A 32 0.594 -19.246 -4.780 1.00 0.00 O ATOM 0 H GLY A 32 -0.144 -23.263 -3.886 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.183 -21.564 -3.096 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.974 -21.409 -4.652 1.00 0.00 H new ATOM 395 N ARG A 33 -1.196 -20.597 -4.484 1.00 0.00 N ATOM 396 CA ARG A 33 -2.168 -19.560 -4.784 1.00 0.00 C ATOM 397 C ARG A 33 -3.180 -19.434 -3.643 1.00 0.00 C ATOM 398 O ARG A 33 -3.643 -20.439 -3.106 1.00 0.00 O ATOM 399 CB ARG A 33 -2.913 -19.864 -6.086 1.00 0.00 C ATOM 400 CG ARG A 33 -2.117 -19.378 -7.299 1.00 0.00 C ATOM 401 CD ARG A 33 -2.676 -19.970 -8.594 1.00 0.00 C ATOM 402 NE ARG A 33 -2.503 -19.010 -9.706 1.00 0.00 N ATOM 403 CZ ARG A 33 -1.369 -18.883 -10.427 1.00 0.00 C ATOM 404 NH1 ARG A 33 -0.296 -19.656 -10.158 1.00 0.00 N ATOM 405 NH2 ARG A 33 -1.325 -17.991 -11.399 1.00 0.00 N ATOM 0 H ARG A 33 -1.599 -21.507 -4.260 1.00 0.00 H new ATOM 0 HA ARG A 33 -1.626 -18.621 -4.899 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -3.088 -20.937 -6.167 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -3.891 -19.382 -6.071 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.151 -18.290 -7.348 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -1.070 -19.660 -7.188 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -2.165 -20.904 -8.827 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.732 -20.207 -8.469 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.290 -18.406 -9.943 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -0.338 -20.343 -9.405 1.00 0.00 H new ATOM 0 HH12 ARG A 33 0.557 -19.554 -10.708 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.140 -17.410 -11.596 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -0.476 -17.882 -11.953 1.00 0.00 H new ATOM 418 N VAL A 34 -3.492 -18.191 -3.307 1.00 0.00 N ATOM 419 CA VAL A 34 -4.440 -17.921 -2.239 1.00 0.00 C ATOM 420 C VAL A 34 -5.864 -18.040 -2.786 1.00 0.00 C ATOM 421 O VAL A 34 -6.345 -17.143 -3.476 1.00 0.00 O ATOM 422 CB VAL A 34 -4.151 -16.553 -1.617 1.00 0.00 C ATOM 423 CG1 VAL A 34 -5.231 -16.174 -0.602 1.00 0.00 C ATOM 424 CG2 VAL A 34 -2.762 -16.524 -0.977 1.00 0.00 C ATOM 0 H VAL A 34 -3.106 -17.360 -3.755 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.336 -18.655 -1.440 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.167 -15.811 -2.416 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.002 -15.198 -0.175 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.200 -16.134 -1.100 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.262 -16.920 0.192 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.582 -15.541 -0.543 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.706 -17.282 -0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.007 -16.729 -1.736 1.00 0.00 H new ATOM 434 N LEU A 35 -6.499 -19.156 -2.456 1.00 0.00 N ATOM 435 CA LEU A 35 -7.858 -19.404 -2.905 1.00 0.00 C ATOM 436 C LEU A 35 -8.743 -18.218 -2.517 1.00 0.00 C ATOM 437 O LEU A 35 -9.833 -18.049 -3.062 1.00 0.00 O ATOM 438 CB LEU A 35 -8.361 -20.747 -2.372 1.00 0.00 C ATOM 439 CG LEU A 35 -8.639 -21.824 -3.423 1.00 0.00 C ATOM 440 CD1 LEU A 35 -8.875 -23.185 -2.764 1.00 0.00 C ATOM 441 CD2 LEU A 35 -9.801 -21.418 -4.330 1.00 0.00 C ATOM 0 H LEU A 35 -6.097 -19.898 -1.883 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.892 -19.485 -3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.624 -21.135 -1.669 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.278 -20.572 -1.809 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.756 -21.920 -4.055 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.070 -23.933 -3.533 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.991 -23.472 -2.195 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -9.732 -23.121 -2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.977 -22.201 -5.068 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -10.699 -21.276 -3.729 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -9.556 -20.487 -4.841 1.00 0.00 H new ATOM 453 N ALA A 36 -8.242 -17.428 -1.580 1.00 0.00 N ATOM 454 CA ALA A 36 -8.974 -16.263 -1.113 1.00 0.00 C ATOM 455 C ALA A 36 -9.926 -16.680 0.009 1.00 0.00 C ATOM 456 O ALA A 36 -9.886 -16.117 1.103 1.00 0.00 O ATOM 457 CB ALA A 36 -9.707 -15.615 -2.290 1.00 0.00 C ATOM 0 H ALA A 36 -7.337 -17.571 -1.131 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.291 -15.518 -0.705 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.256 -14.741 -1.940 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -8.983 -15.310 -3.046 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.404 -16.332 -2.724 1.00 0.00 H new ATOM 463 N LEU A 37 -10.759 -17.662 -0.299 1.00 0.00 N ATOM 464 CA LEU A 37 -11.720 -18.161 0.670 1.00 0.00 C ATOM 465 C LEU A 37 -11.041 -18.288 2.035 1.00 0.00 C ATOM 466 O LEU A 37 -11.522 -17.739 3.025 1.00 0.00 O ATOM 467 CB LEU A 37 -12.354 -19.462 0.175 1.00 0.00 C ATOM 468 CG LEU A 37 -13.666 -19.317 -0.599 1.00 0.00 C ATOM 469 CD1 LEU A 37 -13.405 -19.184 -2.101 1.00 0.00 C ATOM 470 CD2 LEU A 37 -14.620 -20.471 -0.283 1.00 0.00 C ATOM 0 H LEU A 37 -10.789 -18.126 -1.207 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.544 -17.457 0.787 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.634 -19.974 -0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.532 -20.106 1.036 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.154 -18.398 -0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -14.354 -19.082 -2.628 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -12.791 -18.303 -2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.884 -20.072 -2.460 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -15.545 -20.343 -0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -14.153 -21.416 -0.561 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.843 -20.477 0.784 1.00 0.00 H new ATOM 482 N ASP A 38 -9.934 -19.016 2.044 1.00 0.00 N ATOM 483 CA ASP A 38 -9.185 -19.223 3.272 1.00 0.00 C ATOM 484 C ASP A 38 -8.766 -17.866 3.843 1.00 0.00 C ATOM 485 O ASP A 38 -8.860 -17.641 5.049 1.00 0.00 O ATOM 486 CB ASP A 38 -7.917 -20.038 3.012 1.00 0.00 C ATOM 487 CG ASP A 38 -7.956 -21.478 3.529 1.00 0.00 C ATOM 488 OD1 ASP A 38 -8.865 -21.862 4.281 1.00 0.00 O ATOM 489 OD2 ASP A 38 -6.989 -22.229 3.124 1.00 0.00 O ATOM 0 H ASP A 38 -9.538 -19.470 1.221 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.824 -19.763 3.971 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.730 -20.058 1.938 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.073 -19.525 3.473 1.00 0.00 H new ATOM 495 N ALA A 39 -8.313 -16.999 2.950 1.00 0.00 N ATOM 496 CA ALA A 39 -7.880 -15.671 3.350 1.00 0.00 C ATOM 497 C ALA A 39 -8.932 -15.052 4.272 1.00 0.00 C ATOM 498 O ALA A 39 -8.610 -14.589 5.366 1.00 0.00 O ATOM 499 CB ALA A 39 -7.624 -14.820 2.104 1.00 0.00 C ATOM 0 H ALA A 39 -8.236 -17.190 1.951 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.944 -15.724 3.906 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.299 -13.824 2.404 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.848 -15.287 1.497 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.542 -14.742 1.522 1.00 0.00 H new ATOM 505 N ALA A 40 -10.169 -15.063 3.797 1.00 0.00 N ATOM 506 CA ALA A 40 -11.271 -14.508 4.565 1.00 0.00 C ATOM 507 C ALA A 40 -11.305 -15.165 5.947 1.00 0.00 C ATOM 508 O ALA A 40 -11.743 -14.552 6.919 1.00 0.00 O ATOM 509 CB ALA A 40 -12.579 -14.702 3.795 1.00 0.00 C ATOM 0 H ALA A 40 -10.433 -15.448 2.890 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.135 -13.437 4.712 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.405 -14.286 4.371 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.514 -14.193 2.833 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -12.750 -15.766 3.631 1.00 0.00 H new ATOM 515 N ALA A 41 -10.837 -16.404 5.990 1.00 0.00 N ATOM 516 CA ALA A 41 -10.808 -17.150 7.236 1.00 0.00 C ATOM 517 C ALA A 41 -9.735 -16.561 8.154 1.00 0.00 C ATOM 518 O ALA A 41 -10.023 -16.184 9.289 1.00 0.00 O ATOM 519 CB ALA A 41 -10.571 -18.632 6.939 1.00 0.00 C ATOM 0 H ALA A 41 -10.475 -16.910 5.182 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.764 -17.070 7.753 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.549 -19.192 7.874 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.376 -19.010 6.309 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.619 -18.752 6.422 1.00 0.00 H new ATOM 525 N PHE A 42 -8.521 -16.499 7.628 1.00 0.00 N ATOM 526 CA PHE A 42 -7.404 -15.962 8.386 1.00 0.00 C ATOM 527 C PHE A 42 -7.676 -14.520 8.817 1.00 0.00 C ATOM 528 O PHE A 42 -7.257 -14.100 9.895 1.00 0.00 O ATOM 529 CB PHE A 42 -6.184 -15.984 7.462 1.00 0.00 C ATOM 530 CG PHE A 42 -4.961 -15.261 8.029 1.00 0.00 C ATOM 531 CD1 PHE A 42 -4.337 -15.744 9.136 1.00 0.00 C ATOM 532 CD2 PHE A 42 -4.498 -14.133 7.425 1.00 0.00 C ATOM 533 CE1 PHE A 42 -3.202 -15.073 9.661 1.00 0.00 C ATOM 534 CE2 PHE A 42 -3.363 -13.462 7.950 1.00 0.00 C ATOM 535 CZ PHE A 42 -2.739 -13.945 9.058 1.00 0.00 C ATOM 0 H PHE A 42 -8.286 -16.812 6.686 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.245 -16.557 9.285 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.917 -17.020 7.254 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -6.454 -15.528 6.510 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.705 -16.639 9.616 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.994 -13.748 6.546 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -2.706 -15.458 10.540 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.995 -12.568 7.470 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.876 -13.433 9.459 1.00 0.00 H new ATOM 545 N LEU A 43 -8.377 -13.800 7.953 1.00 0.00 N ATOM 546 CA LEU A 43 -8.711 -12.414 8.231 1.00 0.00 C ATOM 547 C LEU A 43 -9.715 -12.356 9.384 1.00 0.00 C ATOM 548 O LEU A 43 -9.565 -11.553 10.303 1.00 0.00 O ATOM 549 CB LEU A 43 -9.194 -11.714 6.959 1.00 0.00 C ATOM 550 CG LEU A 43 -8.123 -11.416 5.909 1.00 0.00 C ATOM 551 CD1 LEU A 43 -8.753 -10.906 4.612 1.00 0.00 C ATOM 552 CD2 LEU A 43 -7.073 -10.448 6.456 1.00 0.00 C ATOM 0 H LEU A 43 -8.723 -14.151 7.060 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.825 -11.866 8.552 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.964 -12.332 6.498 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.667 -10.774 7.243 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.609 -12.348 5.672 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.969 -10.702 3.883 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.430 -11.662 4.215 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.309 -9.990 4.813 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.323 -10.253 5.689 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.554 -9.512 6.740 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.592 -10.888 7.330 1.00 0.00 H new ATOM 564 N LYS A 44 -10.717 -13.219 9.298 1.00 0.00 N ATOM 565 CA LYS A 44 -11.746 -13.277 10.322 1.00 0.00 C ATOM 566 C LYS A 44 -11.086 -13.439 11.693 1.00 0.00 C ATOM 567 O LYS A 44 -11.702 -13.160 12.720 1.00 0.00 O ATOM 568 CB LYS A 44 -12.765 -14.370 9.997 1.00 0.00 C ATOM 569 CG LYS A 44 -13.933 -13.807 9.185 1.00 0.00 C ATOM 570 CD LYS A 44 -15.274 -14.246 9.776 1.00 0.00 C ATOM 571 CE LYS A 44 -15.576 -15.705 9.426 1.00 0.00 C ATOM 572 NZ LYS A 44 -17.037 -15.941 9.404 1.00 0.00 N ATOM 0 H LYS A 44 -10.838 -13.884 8.534 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.311 -12.345 10.348 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.280 -15.169 9.437 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.139 -14.810 10.921 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.878 -12.719 9.169 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.859 -14.146 8.152 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.255 -14.124 10.859 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.070 -13.605 9.397 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.148 -15.948 8.454 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.106 -16.365 10.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -17.224 -16.936 9.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.437 -15.729 10.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -17.478 -15.325 8.691 1.00 0.00 H new ATOM 583 N LYS A 45 -9.840 -13.891 11.665 1.00 0.00 N ATOM 584 CA LYS A 45 -9.090 -14.094 12.892 1.00 0.00 C ATOM 585 C LYS A 45 -8.635 -12.738 13.437 1.00 0.00 C ATOM 586 O LYS A 45 -7.995 -12.670 14.485 1.00 0.00 O ATOM 587 CB LYS A 45 -7.943 -15.080 12.662 1.00 0.00 C ATOM 588 CG LYS A 45 -8.410 -16.281 11.837 1.00 0.00 C ATOM 589 CD LYS A 45 -7.491 -17.485 12.051 1.00 0.00 C ATOM 590 CE LYS A 45 -8.142 -18.771 11.537 1.00 0.00 C ATOM 591 NZ LYS A 45 -8.634 -19.590 12.667 1.00 0.00 N ATOM 0 H LYS A 45 -9.332 -14.122 10.811 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.723 -14.549 13.654 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.124 -14.577 12.148 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.555 -15.422 13.621 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.430 -16.544 12.116 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.427 -16.016 10.780 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.545 -17.321 11.535 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.262 -17.588 13.112 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.969 -18.526 10.871 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.421 -19.342 10.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.073 -20.459 12.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.838 -19.839 13.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.338 -19.048 13.208 1.00 0.00 H new ATOM 602 N SER A 46 -8.982 -11.693 12.700 1.00 0.00 N ATOM 603 CA SER A 46 -8.618 -10.344 13.096 1.00 0.00 C ATOM 604 C SER A 46 -9.378 -9.947 14.363 1.00 0.00 C ATOM 605 O SER A 46 -8.769 -9.586 15.369 1.00 0.00 O ATOM 606 CB SER A 46 -8.900 -9.345 11.973 1.00 0.00 C ATOM 607 OG SER A 46 -10.290 -9.049 11.858 1.00 0.00 O ATOM 0 H SER A 46 -9.512 -11.754 11.830 1.00 0.00 H new ATOM 0 HA SER A 46 -7.548 -10.325 13.301 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.347 -8.424 12.160 1.00 0.00 H new ATOM 0 HB3 SER A 46 -8.536 -9.749 11.028 1.00 0.00 H new ATOM 0 HG SER A 46 -10.710 -9.686 11.243 1.00 0.00 H new ATOM 613 N GLY A 47 -10.697 -10.027 14.273 1.00 0.00 N ATOM 614 CA GLY A 47 -11.547 -9.680 15.399 1.00 0.00 C ATOM 615 C GLY A 47 -12.799 -8.935 14.933 1.00 0.00 C ATOM 616 O GLY A 47 -13.868 -9.079 15.524 1.00 0.00 O ATOM 0 H GLY A 47 -11.198 -10.327 13.437 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.836 -10.585 15.933 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.991 -9.059 16.101 1.00 0.00 H new ATOM 620 N LEU A 48 -12.625 -8.155 13.876 1.00 0.00 N ATOM 621 CA LEU A 48 -13.728 -7.387 13.323 1.00 0.00 C ATOM 622 C LEU A 48 -14.799 -8.345 12.798 1.00 0.00 C ATOM 623 O LEU A 48 -14.543 -9.537 12.631 1.00 0.00 O ATOM 624 CB LEU A 48 -13.219 -6.398 12.273 1.00 0.00 C ATOM 625 CG LEU A 48 -12.840 -5.008 12.788 1.00 0.00 C ATOM 626 CD1 LEU A 48 -11.480 -5.035 13.488 1.00 0.00 C ATOM 627 CD2 LEU A 48 -12.883 -3.975 11.660 1.00 0.00 C ATOM 0 H LEU A 48 -11.737 -8.038 13.388 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.196 -6.780 14.098 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -12.347 -6.833 11.786 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -13.987 -6.283 11.508 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.579 -4.706 13.530 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -11.234 -4.035 13.845 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -11.519 -5.722 14.333 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.716 -5.368 12.786 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -12.610 -2.996 12.053 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -12.180 -4.261 10.878 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -13.890 -3.931 11.245 1.00 0.00 H new ATOM 639 N PRO A 49 -16.007 -7.774 12.545 1.00 0.00 N ATOM 640 CA PRO A 49 -17.117 -8.565 12.042 1.00 0.00 C ATOM 641 C PRO A 49 -16.926 -8.899 10.561 1.00 0.00 C ATOM 642 O PRO A 49 -15.824 -8.773 10.030 1.00 0.00 O ATOM 643 CB PRO A 49 -18.353 -7.720 12.306 1.00 0.00 C ATOM 644 CG PRO A 49 -17.850 -6.301 12.519 1.00 0.00 C ATOM 645 CD PRO A 49 -16.347 -6.367 12.731 1.00 0.00 C ATOM 0 HA PRO A 49 -17.200 -9.534 12.534 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -19.045 -7.767 11.465 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -18.892 -8.079 13.183 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -18.087 -5.678 11.656 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -18.338 -5.848 13.382 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -15.819 -5.734 12.018 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -16.072 -6.022 13.728 1.00 0.00 H new ATOM 653 N ASP A 50 -18.017 -9.318 9.937 1.00 0.00 N ATOM 654 CA ASP A 50 -17.983 -9.671 8.527 1.00 0.00 C ATOM 655 C ASP A 50 -18.488 -8.488 7.698 1.00 0.00 C ATOM 656 O ASP A 50 -18.131 -8.349 6.529 1.00 0.00 O ATOM 657 CB ASP A 50 -18.887 -10.871 8.238 1.00 0.00 C ATOM 658 CG ASP A 50 -18.842 -11.382 6.797 1.00 0.00 C ATOM 659 OD1 ASP A 50 -19.882 -11.520 6.135 1.00 0.00 O ATOM 660 OD2 ASP A 50 -17.662 -11.648 6.350 1.00 0.00 O ATOM 0 H ASP A 50 -18.929 -9.421 10.381 1.00 0.00 H new ATOM 0 HA ASP A 50 -16.955 -9.923 8.267 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -18.608 -11.686 8.906 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -19.915 -10.599 8.479 1.00 0.00 H new ATOM 666 N LEU A 51 -19.310 -7.667 8.335 1.00 0.00 N ATOM 667 CA LEU A 51 -19.866 -6.501 7.670 1.00 0.00 C ATOM 668 C LEU A 51 -18.728 -5.583 7.223 1.00 0.00 C ATOM 669 O LEU A 51 -18.515 -5.389 6.027 1.00 0.00 O ATOM 670 CB LEU A 51 -20.895 -5.813 8.569 1.00 0.00 C ATOM 671 CG LEU A 51 -20.865 -4.283 8.574 1.00 0.00 C ATOM 672 CD1 LEU A 51 -21.106 -3.725 7.170 1.00 0.00 C ATOM 673 CD2 LEU A 51 -21.856 -3.718 9.593 1.00 0.00 C ATOM 0 H LEU A 51 -19.604 -7.786 9.304 1.00 0.00 H new ATOM 0 HA LEU A 51 -20.408 -6.796 6.772 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -21.890 -6.136 8.262 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -20.747 -6.163 9.591 1.00 0.00 H new ATOM 0 HG LEU A 51 -19.870 -3.962 8.881 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -21.080 -2.636 7.202 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -20.329 -4.087 6.496 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -22.081 -4.054 6.810 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -21.814 -2.629 9.576 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -22.864 -4.047 9.341 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -21.597 -4.075 10.590 1.00 0.00 H new ATOM 685 N ILE A 52 -18.026 -5.041 8.207 1.00 0.00 N ATOM 686 CA ILE A 52 -16.914 -4.147 7.930 1.00 0.00 C ATOM 687 C ILE A 52 -15.920 -4.849 7.002 1.00 0.00 C ATOM 688 O ILE A 52 -15.319 -4.214 6.137 1.00 0.00 O ATOM 689 CB ILE A 52 -16.290 -3.647 9.234 1.00 0.00 C ATOM 690 CG1 ILE A 52 -17.288 -2.805 10.032 1.00 0.00 C ATOM 691 CG2 ILE A 52 -14.988 -2.890 8.964 1.00 0.00 C ATOM 692 CD1 ILE A 52 -17.217 -1.334 9.620 1.00 0.00 C ATOM 0 H ILE A 52 -18.206 -5.204 9.198 1.00 0.00 H new ATOM 0 HA ILE A 52 -17.263 -3.256 7.409 1.00 0.00 H new ATOM 0 HB ILE A 52 -16.038 -4.513 9.846 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -18.298 -3.183 9.872 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -17.078 -2.898 11.097 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -14.565 -2.545 9.908 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -14.278 -3.552 8.469 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -15.192 -2.032 8.323 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -17.936 -0.758 10.202 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -16.213 -0.953 9.804 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -17.451 -1.241 8.560 1.00 0.00 H new ATOM 704 N LEU A 53 -15.779 -6.149 7.213 1.00 0.00 N ATOM 705 CA LEU A 53 -14.869 -6.944 6.407 1.00 0.00 C ATOM 706 C LEU A 53 -15.346 -6.940 4.953 1.00 0.00 C ATOM 707 O LEU A 53 -14.558 -6.712 4.037 1.00 0.00 O ATOM 708 CB LEU A 53 -14.712 -8.346 6.999 1.00 0.00 C ATOM 709 CG LEU A 53 -13.491 -8.563 7.895 1.00 0.00 C ATOM 710 CD1 LEU A 53 -13.462 -9.989 8.447 1.00 0.00 C ATOM 711 CD2 LEU A 53 -12.199 -8.208 7.156 1.00 0.00 C ATOM 0 H LEU A 53 -16.280 -6.672 7.931 1.00 0.00 H new ATOM 0 HA LEU A 53 -13.871 -6.506 6.417 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -15.607 -8.577 7.576 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.668 -9.062 6.179 1.00 0.00 H new ATOM 0 HG LEU A 53 -13.570 -7.889 8.748 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -12.584 -10.116 9.080 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -14.362 -10.170 9.034 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.419 -10.698 7.620 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.346 -8.371 7.815 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.100 -8.838 6.272 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.229 -7.161 6.853 1.00 0.00 H new ATOM 723 N GLY A 54 -16.636 -7.197 4.787 1.00 0.00 N ATOM 724 CA GLY A 54 -17.228 -7.226 3.460 1.00 0.00 C ATOM 725 C GLY A 54 -16.699 -6.077 2.599 1.00 0.00 C ATOM 726 O GLY A 54 -16.384 -6.271 1.425 1.00 0.00 O ATOM 0 H GLY A 54 -17.287 -7.387 5.549 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -17.005 -8.178 2.979 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -18.313 -7.156 3.540 1.00 0.00 H new ATOM 730 N LYS A 55 -16.619 -4.907 3.214 1.00 0.00 N ATOM 731 CA LYS A 55 -16.134 -3.727 2.518 1.00 0.00 C ATOM 732 C LYS A 55 -14.676 -3.945 2.108 1.00 0.00 C ATOM 733 O LYS A 55 -14.282 -3.600 0.995 1.00 0.00 O ATOM 734 CB LYS A 55 -16.353 -2.475 3.369 1.00 0.00 C ATOM 735 CG LYS A 55 -17.718 -1.847 3.080 1.00 0.00 C ATOM 736 CD LYS A 55 -17.564 -0.525 2.325 1.00 0.00 C ATOM 737 CE LYS A 55 -18.209 -0.606 0.940 1.00 0.00 C ATOM 738 NZ LYS A 55 -17.776 0.533 0.099 1.00 0.00 N ATOM 0 H LYS A 55 -16.882 -4.750 4.187 1.00 0.00 H new ATOM 0 HA LYS A 55 -16.702 -3.565 1.602 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -16.284 -2.733 4.426 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -15.565 -1.750 3.165 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -18.323 -2.537 2.492 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -18.249 -1.676 4.016 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -18.024 0.281 2.898 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -16.507 -0.281 2.224 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -17.935 -1.545 0.459 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -19.295 -0.602 1.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -18.223 0.463 -0.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -18.059 1.426 0.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -16.742 0.512 -0.009 1.00 0.00 H new ATOM 749 N ILE A 56 -13.915 -4.517 3.029 1.00 0.00 N ATOM 750 CA ILE A 56 -12.509 -4.785 2.778 1.00 0.00 C ATOM 751 C ILE A 56 -12.377 -5.668 1.536 1.00 0.00 C ATOM 752 O ILE A 56 -11.718 -5.291 0.569 1.00 0.00 O ATOM 753 CB ILE A 56 -11.845 -5.373 4.024 1.00 0.00 C ATOM 754 CG1 ILE A 56 -11.684 -4.310 5.113 1.00 0.00 C ATOM 755 CG2 ILE A 56 -10.513 -6.040 3.673 1.00 0.00 C ATOM 756 CD1 ILE A 56 -10.853 -4.844 6.282 1.00 0.00 C ATOM 0 H ILE A 56 -14.245 -4.803 3.951 1.00 0.00 H new ATOM 0 HA ILE A 56 -11.976 -3.858 2.569 1.00 0.00 H new ATOM 0 HB ILE A 56 -12.498 -6.149 4.425 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -11.203 -3.426 4.695 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -12.666 -4.000 5.472 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -10.062 -6.450 4.577 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -10.686 -6.844 2.957 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -9.841 -5.302 3.235 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -10.754 -4.069 7.042 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -11.349 -5.714 6.713 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.864 -5.130 5.924 1.00 0.00 H new ATOM 768 N TRP A 57 -13.016 -6.827 1.603 1.00 0.00 N ATOM 769 CA TRP A 57 -12.978 -7.768 0.496 1.00 0.00 C ATOM 770 C TRP A 57 -13.486 -7.047 -0.754 1.00 0.00 C ATOM 771 O TRP A 57 -12.813 -7.031 -1.784 1.00 0.00 O ATOM 772 CB TRP A 57 -13.775 -9.032 0.822 1.00 0.00 C ATOM 773 CG TRP A 57 -13.489 -10.207 -0.114 1.00 0.00 C ATOM 774 CD1 TRP A 57 -14.086 -10.499 -1.278 1.00 0.00 C ATOM 775 CD2 TRP A 57 -12.504 -11.244 0.083 1.00 0.00 C ATOM 776 NE1 TRP A 57 -13.560 -11.643 -1.843 1.00 0.00 N ATOM 777 CE2 TRP A 57 -12.567 -12.110 -0.990 1.00 0.00 C ATOM 778 CE3 TRP A 57 -11.590 -11.442 1.132 1.00 0.00 C ATOM 779 CZ2 TRP A 57 -11.742 -13.234 -1.116 1.00 0.00 C ATOM 780 CZ3 TRP A 57 -10.773 -12.570 0.991 1.00 0.00 C ATOM 781 CH2 TRP A 57 -10.824 -13.452 -0.083 1.00 0.00 C ATOM 0 H TRP A 57 -13.563 -7.136 2.407 1.00 0.00 H new ATOM 0 HA TRP A 57 -11.958 -8.107 0.313 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -13.554 -9.334 1.846 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -14.839 -8.799 0.781 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -14.879 -9.913 -1.718 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -13.847 -12.068 -2.725 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -11.523 -10.776 1.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -11.811 -13.897 -1.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -10.053 -12.769 1.771 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -10.158 -14.301 -0.119 1.00 0.00 H new ATOM 792 N ASP A 58 -14.671 -6.467 -0.624 1.00 0.00 N ATOM 793 CA ASP A 58 -15.277 -5.746 -1.730 1.00 0.00 C ATOM 794 C ASP A 58 -14.216 -4.881 -2.413 1.00 0.00 C ATOM 795 O ASP A 58 -14.069 -4.920 -3.633 1.00 0.00 O ATOM 796 CB ASP A 58 -16.395 -4.824 -1.240 1.00 0.00 C ATOM 797 CG ASP A 58 -17.352 -4.333 -2.328 1.00 0.00 C ATOM 798 OD1 ASP A 58 -18.433 -4.905 -2.533 1.00 0.00 O ATOM 799 OD2 ASP A 58 -16.944 -3.303 -2.989 1.00 0.00 O ATOM 0 H ASP A 58 -15.227 -6.482 0.231 1.00 0.00 H new ATOM 0 HA ASP A 58 -15.691 -6.479 -2.423 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -16.972 -5.350 -0.480 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -15.945 -3.958 -0.755 1.00 0.00 H new ATOM 805 N LEU A 59 -13.503 -4.120 -1.595 1.00 0.00 N ATOM 806 CA LEU A 59 -12.459 -3.247 -2.104 1.00 0.00 C ATOM 807 C LEU A 59 -11.239 -4.087 -2.487 1.00 0.00 C ATOM 808 O LEU A 59 -10.465 -3.702 -3.362 1.00 0.00 O ATOM 809 CB LEU A 59 -12.150 -2.137 -1.098 1.00 0.00 C ATOM 810 CG LEU A 59 -10.826 -1.398 -1.299 1.00 0.00 C ATOM 811 CD1 LEU A 59 -9.665 -2.175 -0.676 1.00 0.00 C ATOM 812 CD2 LEU A 59 -10.585 -1.098 -2.780 1.00 0.00 C ATOM 0 H LEU A 59 -13.628 -4.090 -0.583 1.00 0.00 H new ATOM 0 HA LEU A 59 -12.795 -2.740 -3.009 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.959 -1.407 -1.132 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -12.153 -2.570 -0.098 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.887 -0.440 -0.782 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.735 -1.628 -0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -9.840 -2.295 0.393 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.592 -3.157 -1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.637 -0.572 -2.895 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -10.552 -2.033 -3.340 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -11.394 -0.475 -3.161 1.00 0.00 H new ATOM 824 N ALA A 60 -11.105 -5.220 -1.812 1.00 0.00 N ATOM 825 CA ALA A 60 -9.992 -6.117 -2.071 1.00 0.00 C ATOM 826 C ALA A 60 -10.081 -6.632 -3.509 1.00 0.00 C ATOM 827 O ALA A 60 -9.161 -6.434 -4.301 1.00 0.00 O ATOM 828 CB ALA A 60 -10.002 -7.252 -1.044 1.00 0.00 C ATOM 0 H ALA A 60 -11.749 -5.537 -1.087 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.043 -5.591 -1.967 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.167 -7.925 -1.238 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -9.907 -6.836 -0.041 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -10.939 -7.804 -1.121 1.00 0.00 H new ATOM 834 N ASP A 61 -11.197 -7.283 -3.803 1.00 0.00 N ATOM 835 CA ASP A 61 -11.418 -7.828 -5.131 1.00 0.00 C ATOM 836 C ASP A 61 -10.874 -6.850 -6.175 1.00 0.00 C ATOM 837 O ASP A 61 -11.228 -5.672 -6.172 1.00 0.00 O ATOM 838 CB ASP A 61 -12.910 -8.028 -5.404 1.00 0.00 C ATOM 839 CG ASP A 61 -13.237 -8.771 -6.700 1.00 0.00 C ATOM 840 OD1 ASP A 61 -13.848 -8.210 -7.622 1.00 0.00 O ATOM 841 OD2 ASP A 61 -12.831 -9.995 -6.744 1.00 0.00 O ATOM 0 H ASP A 61 -11.958 -7.445 -3.144 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.909 -8.790 -5.190 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.346 -8.576 -4.569 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.393 -7.051 -5.431 1.00 0.00 H new ATOM 847 N THR A 62 -10.022 -7.376 -7.044 1.00 0.00 N ATOM 848 CA THR A 62 -9.426 -6.564 -8.091 1.00 0.00 C ATOM 849 C THR A 62 -9.079 -7.430 -9.304 1.00 0.00 C ATOM 850 O THR A 62 -9.356 -7.051 -10.441 1.00 0.00 O ATOM 851 CB THR A 62 -8.217 -5.839 -7.497 1.00 0.00 C ATOM 852 OG1 THR A 62 -8.789 -4.801 -6.706 1.00 0.00 O ATOM 853 CG2 THR A 62 -7.403 -5.093 -8.556 1.00 0.00 C ATOM 0 H THR A 62 -9.731 -8.354 -7.044 1.00 0.00 H new ATOM 0 HA THR A 62 -10.126 -5.813 -8.456 1.00 0.00 H new ATOM 0 HB THR A 62 -7.577 -6.559 -6.987 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.766 -4.835 -6.778 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.557 -4.596 -8.081 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.037 -5.801 -9.299 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.034 -4.349 -9.043 1.00 0.00 H new ATOM 861 N ASP A 63 -8.478 -8.576 -9.021 1.00 0.00 N ATOM 862 CA ASP A 63 -8.090 -9.499 -10.074 1.00 0.00 C ATOM 863 C ASP A 63 -9.311 -9.822 -10.937 1.00 0.00 C ATOM 864 O ASP A 63 -9.261 -9.702 -12.160 1.00 0.00 O ATOM 865 CB ASP A 63 -7.563 -10.811 -9.490 1.00 0.00 C ATOM 866 CG ASP A 63 -7.178 -11.870 -10.525 1.00 0.00 C ATOM 867 OD1 ASP A 63 -8.037 -12.602 -11.040 1.00 0.00 O ATOM 868 OD2 ASP A 63 -5.920 -11.930 -10.803 1.00 0.00 O ATOM 0 H ASP A 63 -8.250 -8.887 -8.077 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.305 -9.027 -10.665 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -6.691 -10.593 -8.874 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.323 -11.229 -8.830 1.00 0.00 H new ATOM 874 N GLY A 64 -10.380 -10.227 -10.267 1.00 0.00 N ATOM 875 CA GLY A 64 -11.612 -10.569 -10.957 1.00 0.00 C ATOM 876 C GLY A 64 -11.748 -12.085 -11.117 1.00 0.00 C ATOM 877 O GLY A 64 -11.705 -12.601 -12.232 1.00 0.00 O ATOM 0 H GLY A 64 -10.418 -10.326 -9.253 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.465 -10.180 -10.400 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.628 -10.093 -11.938 1.00 0.00 H new ATOM 881 N LYS A 65 -11.910 -12.755 -9.985 1.00 0.00 N ATOM 882 CA LYS A 65 -12.053 -14.201 -9.986 1.00 0.00 C ATOM 883 C LYS A 65 -12.312 -14.684 -8.557 1.00 0.00 C ATOM 884 O LYS A 65 -13.347 -15.287 -8.281 1.00 0.00 O ATOM 885 CB LYS A 65 -10.840 -14.859 -10.647 1.00 0.00 C ATOM 886 CG LYS A 65 -10.967 -16.383 -10.631 1.00 0.00 C ATOM 887 CD LYS A 65 -9.604 -17.049 -10.833 1.00 0.00 C ATOM 888 CE LYS A 65 -9.226 -17.084 -12.315 1.00 0.00 C ATOM 889 NZ LYS A 65 -8.228 -16.035 -12.620 1.00 0.00 N ATOM 0 H LYS A 65 -11.945 -12.323 -9.062 1.00 0.00 H new ATOM 0 HA LYS A 65 -12.914 -14.498 -10.585 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.747 -14.509 -11.675 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.931 -14.561 -10.125 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.396 -16.706 -9.683 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.652 -16.703 -11.416 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.843 -16.506 -10.273 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.629 -18.064 -10.436 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.822 -18.064 -12.570 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.116 -16.937 -12.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.982 -16.073 -13.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.626 -15.101 -12.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.373 -16.193 -12.050 1.00 0.00 H new ATOM 900 N GLY A 66 -11.354 -14.400 -7.688 1.00 0.00 N ATOM 901 CA GLY A 66 -11.465 -14.798 -6.295 1.00 0.00 C ATOM 902 C GLY A 66 -10.088 -14.865 -5.632 1.00 0.00 C ATOM 903 O GLY A 66 -9.801 -14.104 -4.710 1.00 0.00 O ATOM 0 H GLY A 66 -10.497 -13.899 -7.921 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -12.096 -14.089 -5.760 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.952 -15.771 -6.229 1.00 0.00 H new ATOM 907 N VAL A 67 -9.272 -15.784 -6.128 1.00 0.00 N ATOM 908 CA VAL A 67 -7.932 -15.961 -5.595 1.00 0.00 C ATOM 909 C VAL A 67 -7.320 -14.590 -5.301 1.00 0.00 C ATOM 910 O VAL A 67 -7.595 -13.620 -6.004 1.00 0.00 O ATOM 911 CB VAL A 67 -7.091 -16.797 -6.562 1.00 0.00 C ATOM 912 CG1 VAL A 67 -5.708 -17.087 -5.976 1.00 0.00 C ATOM 913 CG2 VAL A 67 -7.811 -18.094 -6.936 1.00 0.00 C ATOM 0 H VAL A 67 -9.513 -16.414 -6.893 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.964 -16.511 -4.654 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.953 -16.216 -7.474 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.131 -17.683 -6.683 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.190 -16.147 -5.785 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.817 -17.638 -5.042 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.191 -18.669 -7.624 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.994 -18.681 -6.036 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.761 -17.858 -7.415 1.00 0.00 H new ATOM 923 N LEU A 68 -6.500 -14.555 -4.260 1.00 0.00 N ATOM 924 CA LEU A 68 -5.847 -13.319 -3.864 1.00 0.00 C ATOM 925 C LEU A 68 -4.405 -13.324 -4.375 1.00 0.00 C ATOM 926 O LEU A 68 -3.909 -14.351 -4.837 1.00 0.00 O ATOM 927 CB LEU A 68 -5.963 -13.112 -2.353 1.00 0.00 C ATOM 928 CG LEU A 68 -7.366 -13.263 -1.761 1.00 0.00 C ATOM 929 CD1 LEU A 68 -7.315 -13.307 -0.233 1.00 0.00 C ATOM 930 CD2 LEU A 68 -8.298 -12.162 -2.272 1.00 0.00 C ATOM 0 H LEU A 68 -6.273 -15.362 -3.679 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.344 -12.462 -4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.302 -13.823 -1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.595 -12.114 -2.114 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.777 -14.215 -2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.325 -13.415 0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.708 -14.154 0.087 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.875 -12.383 0.143 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.289 -12.292 -1.836 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.901 -11.188 -1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.369 -12.220 -3.358 1.00 0.00 H new ATOM 942 N SER A 69 -3.771 -12.164 -4.275 1.00 0.00 N ATOM 943 CA SER A 69 -2.396 -12.022 -4.721 1.00 0.00 C ATOM 944 C SER A 69 -1.535 -11.456 -3.590 1.00 0.00 C ATOM 945 O SER A 69 -2.011 -11.283 -2.470 1.00 0.00 O ATOM 946 CB SER A 69 -2.308 -11.122 -5.956 1.00 0.00 C ATOM 947 OG SER A 69 -3.272 -11.476 -6.944 1.00 0.00 O ATOM 0 H SER A 69 -4.185 -11.314 -3.892 1.00 0.00 H new ATOM 0 HA SER A 69 -2.022 -13.008 -4.996 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.457 -10.084 -5.659 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.308 -11.191 -6.384 1.00 0.00 H new ATOM 0 HG SER A 69 -3.185 -10.878 -7.715 1.00 0.00 H new ATOM 953 N LYS A 70 -0.282 -11.183 -3.923 1.00 0.00 N ATOM 954 CA LYS A 70 0.650 -10.641 -2.949 1.00 0.00 C ATOM 955 C LYS A 70 0.061 -9.367 -2.340 1.00 0.00 C ATOM 956 O LYS A 70 -0.619 -9.421 -1.317 1.00 0.00 O ATOM 957 CB LYS A 70 2.029 -10.440 -3.581 1.00 0.00 C ATOM 958 CG LYS A 70 2.834 -11.741 -3.568 1.00 0.00 C ATOM 959 CD LYS A 70 3.989 -11.681 -4.569 1.00 0.00 C ATOM 960 CE LYS A 70 3.472 -11.745 -6.007 1.00 0.00 C ATOM 961 NZ LYS A 70 3.887 -13.011 -6.652 1.00 0.00 N ATOM 0 H LYS A 70 0.110 -11.327 -4.854 1.00 0.00 H new ATOM 0 HA LYS A 70 0.799 -11.346 -2.131 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.915 -10.089 -4.607 1.00 0.00 H new ATOM 0 HB3 LYS A 70 2.572 -9.667 -3.038 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.225 -11.921 -2.567 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.181 -12.579 -3.811 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.554 -10.761 -4.423 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.675 -12.509 -4.388 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.385 -11.667 -6.012 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.855 -10.898 -6.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.528 -13.038 -7.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.925 -13.071 -6.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.500 -13.816 -6.118 1.00 0.00 H new ATOM 972 N GLN A 71 0.343 -8.251 -2.996 1.00 0.00 N ATOM 973 CA GLN A 71 -0.151 -6.965 -2.532 1.00 0.00 C ATOM 974 C GLN A 71 -1.611 -7.085 -2.092 1.00 0.00 C ATOM 975 O GLN A 71 -1.968 -6.667 -0.992 1.00 0.00 O ATOM 976 CB GLN A 71 0.011 -5.894 -3.611 1.00 0.00 C ATOM 977 CG GLN A 71 0.788 -4.689 -3.077 1.00 0.00 C ATOM 978 CD GLN A 71 -0.088 -3.435 -3.060 1.00 0.00 C ATOM 979 OE1 GLN A 71 -0.885 -3.190 -3.951 1.00 0.00 O ATOM 980 NE2 GLN A 71 0.102 -2.657 -1.998 1.00 0.00 N ATOM 0 H GLN A 71 0.907 -8.210 -3.845 1.00 0.00 H new ATOM 0 HA GLN A 71 0.443 -6.658 -1.671 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.532 -6.315 -4.471 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.971 -5.573 -3.959 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.146 -4.900 -2.069 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.667 -4.515 -3.698 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.786 -2.921 -1.288 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.436 -1.797 -1.893 1.00 0.00 H new ATOM 989 N GLU A 72 -2.417 -7.658 -2.974 1.00 0.00 N ATOM 990 CA GLU A 72 -3.830 -7.838 -2.691 1.00 0.00 C ATOM 991 C GLU A 72 -4.031 -8.242 -1.229 1.00 0.00 C ATOM 992 O GLU A 72 -4.503 -7.445 -0.420 1.00 0.00 O ATOM 993 CB GLU A 72 -4.452 -8.869 -3.635 1.00 0.00 C ATOM 994 CG GLU A 72 -5.283 -8.186 -4.723 1.00 0.00 C ATOM 995 CD GLU A 72 -6.761 -8.560 -4.599 1.00 0.00 C ATOM 996 OE1 GLU A 72 -7.327 -8.495 -3.497 1.00 0.00 O ATOM 997 OE2 GLU A 72 -7.325 -8.926 -5.700 1.00 0.00 O ATOM 0 H GLU A 72 -2.118 -8.004 -3.886 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.338 -6.888 -2.859 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.665 -9.467 -4.095 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -5.082 -9.554 -3.067 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.170 -7.105 -4.647 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.912 -8.477 -5.706 1.00 0.00 H new ATOM 1005 N PHE A 73 -3.663 -9.480 -0.934 1.00 0.00 N ATOM 1006 CA PHE A 73 -3.797 -10.000 0.416 1.00 0.00 C ATOM 1007 C PHE A 73 -3.042 -9.124 1.418 1.00 0.00 C ATOM 1008 O PHE A 73 -3.553 -8.826 2.496 1.00 0.00 O ATOM 1009 CB PHE A 73 -3.185 -11.402 0.419 1.00 0.00 C ATOM 1010 CG PHE A 73 -2.766 -11.895 1.805 1.00 0.00 C ATOM 1011 CD1 PHE A 73 -1.607 -11.452 2.363 1.00 0.00 C ATOM 1012 CD2 PHE A 73 -3.552 -12.777 2.480 1.00 0.00 C ATOM 1013 CE1 PHE A 73 -1.218 -11.910 3.649 1.00 0.00 C ATOM 1014 CE2 PHE A 73 -3.162 -13.234 3.766 1.00 0.00 C ATOM 1015 CZ PHE A 73 -2.004 -12.791 4.324 1.00 0.00 C ATOM 0 H PHE A 73 -3.272 -10.139 -1.607 1.00 0.00 H new ATOM 0 HA PHE A 73 -4.848 -10.015 0.706 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -3.906 -12.103 -0.002 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -2.314 -11.408 -0.236 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -0.983 -10.752 1.828 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.472 -13.129 2.038 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.298 -11.559 4.092 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -3.786 -13.934 4.302 1.00 0.00 H new ATOM 0 HZ PHE A 73 -1.708 -13.139 5.303 1.00 0.00 H new ATOM 1025 N PHE A 74 -1.837 -8.737 1.026 1.00 0.00 N ATOM 1026 CA PHE A 74 -1.005 -7.902 1.876 1.00 0.00 C ATOM 1027 C PHE A 74 -1.696 -6.572 2.182 1.00 0.00 C ATOM 1028 O PHE A 74 -1.312 -5.869 3.115 1.00 0.00 O ATOM 1029 CB PHE A 74 0.287 -7.626 1.105 1.00 0.00 C ATOM 1030 CG PHE A 74 1.481 -8.461 1.574 1.00 0.00 C ATOM 1031 CD1 PHE A 74 1.616 -9.748 1.157 1.00 0.00 C ATOM 1032 CD2 PHE A 74 2.408 -7.915 2.406 1.00 0.00 C ATOM 1033 CE1 PHE A 74 2.724 -10.523 1.592 1.00 0.00 C ATOM 1034 CE2 PHE A 74 3.516 -8.689 2.841 1.00 0.00 C ATOM 1035 CZ PHE A 74 3.650 -9.977 2.425 1.00 0.00 C ATOM 0 H PHE A 74 -1.417 -8.986 0.131 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.814 -8.408 2.822 1.00 0.00 H new ATOM 0 HB2 PHE A 74 0.115 -7.819 0.046 1.00 0.00 H new ATOM 0 HB3 PHE A 74 0.536 -6.569 1.200 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.881 -10.181 0.495 1.00 0.00 H new ATOM 0 HD2 PHE A 74 2.301 -6.892 2.736 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.831 -11.546 1.261 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.252 -8.255 3.502 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.492 -10.566 2.756 1.00 0.00 H new ATOM 1045 N VAL A 75 -2.704 -6.266 1.377 1.00 0.00 N ATOM 1046 CA VAL A 75 -3.452 -5.033 1.550 1.00 0.00 C ATOM 1047 C VAL A 75 -4.611 -5.276 2.519 1.00 0.00 C ATOM 1048 O VAL A 75 -4.748 -4.571 3.518 1.00 0.00 O ATOM 1049 CB VAL A 75 -3.911 -4.504 0.190 1.00 0.00 C ATOM 1050 CG1 VAL A 75 -5.329 -3.935 0.272 1.00 0.00 C ATOM 1051 CG2 VAL A 75 -2.932 -3.460 -0.351 1.00 0.00 C ATOM 0 H VAL A 75 -3.020 -6.851 0.603 1.00 0.00 H new ATOM 0 HA VAL A 75 -2.819 -4.261 1.987 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.927 -5.342 -0.507 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.630 -3.566 -0.708 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.017 -4.717 0.592 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.351 -3.116 0.991 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.282 -3.100 -1.319 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.870 -2.624 0.346 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.946 -3.911 -0.466 1.00 0.00 H new ATOM 1061 N ALA A 76 -5.416 -6.276 2.190 1.00 0.00 N ATOM 1062 CA ALA A 76 -6.558 -6.621 3.018 1.00 0.00 C ATOM 1063 C ALA A 76 -6.121 -6.681 4.483 1.00 0.00 C ATOM 1064 O ALA A 76 -6.922 -6.437 5.384 1.00 0.00 O ATOM 1065 CB ALA A 76 -7.160 -7.942 2.534 1.00 0.00 C ATOM 0 H ALA A 76 -5.299 -6.858 1.361 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.334 -5.860 2.937 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.017 -8.201 3.156 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.482 -7.837 1.498 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.411 -8.730 2.603 1.00 0.00 H new ATOM 1071 N LEU A 77 -4.852 -7.007 4.675 1.00 0.00 N ATOM 1072 CA LEU A 77 -4.299 -7.103 6.016 1.00 0.00 C ATOM 1073 C LEU A 77 -4.411 -5.743 6.707 1.00 0.00 C ATOM 1074 O LEU A 77 -5.294 -5.535 7.538 1.00 0.00 O ATOM 1075 CB LEU A 77 -2.872 -7.653 5.968 1.00 0.00 C ATOM 1076 CG LEU A 77 -2.684 -9.078 6.494 1.00 0.00 C ATOM 1077 CD1 LEU A 77 -1.269 -9.584 6.210 1.00 0.00 C ATOM 1078 CD2 LEU A 77 -3.038 -9.165 7.980 1.00 0.00 C ATOM 0 H LEU A 77 -4.190 -7.208 3.925 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.870 -7.813 6.614 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.526 -7.620 4.935 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.228 -6.987 6.542 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.373 -9.733 5.961 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.162 -10.599 6.594 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.091 -9.582 5.135 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.545 -8.933 6.699 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.896 -10.188 8.329 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.392 -8.495 8.548 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.079 -8.874 8.124 1.00 0.00 H new ATOM 1090 N ARG A 78 -3.503 -4.851 6.339 1.00 0.00 N ATOM 1091 CA ARG A 78 -3.489 -3.516 6.913 1.00 0.00 C ATOM 1092 C ARG A 78 -4.885 -2.893 6.843 1.00 0.00 C ATOM 1093 O ARG A 78 -5.306 -2.200 7.767 1.00 0.00 O ATOM 1094 CB ARG A 78 -2.497 -2.611 6.180 1.00 0.00 C ATOM 1095 CG ARG A 78 -1.118 -2.660 6.841 1.00 0.00 C ATOM 1096 CD ARG A 78 -0.556 -4.083 6.832 1.00 0.00 C ATOM 1097 NE ARG A 78 -0.846 -4.749 8.121 1.00 0.00 N ATOM 1098 CZ ARG A 78 -0.067 -4.647 9.219 1.00 0.00 C ATOM 1099 NH1 ARG A 78 1.059 -3.903 9.192 1.00 0.00 N ATOM 1100 NH2 ARG A 78 -0.422 -5.286 10.318 1.00 0.00 N ATOM 0 H ARG A 78 -2.771 -5.027 5.650 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.180 -3.607 7.954 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.416 -2.922 5.139 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.867 -1.586 6.178 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.435 -1.992 6.316 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.190 -2.300 7.867 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.996 -4.651 6.012 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.520 -4.057 6.661 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.688 -5.321 8.184 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.326 -3.413 8.338 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.643 -3.831 10.025 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.274 -5.847 10.329 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.156 -5.219 11.156 1.00 0.00 H new ATOM 1113 N LEU A 79 -5.564 -3.163 5.738 1.00 0.00 N ATOM 1114 CA LEU A 79 -6.903 -2.638 5.535 1.00 0.00 C ATOM 1115 C LEU A 79 -7.728 -2.852 6.806 1.00 0.00 C ATOM 1116 O LEU A 79 -8.382 -1.929 7.288 1.00 0.00 O ATOM 1117 CB LEU A 79 -7.534 -3.249 4.282 1.00 0.00 C ATOM 1118 CG LEU A 79 -8.372 -2.300 3.422 1.00 0.00 C ATOM 1119 CD1 LEU A 79 -8.811 -2.980 2.124 1.00 0.00 C ATOM 1120 CD2 LEU A 79 -9.562 -1.751 4.212 1.00 0.00 C ATOM 0 H LEU A 79 -5.211 -3.739 4.974 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.868 -1.564 5.354 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.738 -3.661 3.662 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.165 -4.084 4.587 1.00 0.00 H new ATOM 0 HG LEU A 79 -7.749 -1.450 3.145 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.405 -2.284 1.531 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.931 -3.282 1.556 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -9.410 -3.860 2.359 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.141 -1.079 3.578 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -10.194 -2.577 4.538 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.200 -1.205 5.083 1.00 0.00 H new ATOM 1132 N VAL A 80 -7.670 -4.075 7.312 1.00 0.00 N ATOM 1133 CA VAL A 80 -8.403 -4.422 8.517 1.00 0.00 C ATOM 1134 C VAL A 80 -7.902 -3.562 9.679 1.00 0.00 C ATOM 1135 O VAL A 80 -8.695 -3.090 10.493 1.00 0.00 O ATOM 1136 CB VAL A 80 -8.282 -5.923 8.789 1.00 0.00 C ATOM 1137 CG1 VAL A 80 -8.999 -6.304 10.086 1.00 0.00 C ATOM 1138 CG2 VAL A 80 -8.814 -6.739 7.609 1.00 0.00 C ATOM 0 H VAL A 80 -7.126 -4.838 6.909 1.00 0.00 H new ATOM 0 HA VAL A 80 -9.465 -4.212 8.392 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.224 -6.158 8.909 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.898 -7.376 10.256 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.555 -5.761 10.920 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.055 -6.047 10.007 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.716 -7.802 7.828 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.864 -6.498 7.444 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.241 -6.499 6.713 1.00 0.00 H new ATOM 1148 N ALA A 81 -6.590 -3.384 9.719 1.00 0.00 N ATOM 1149 CA ALA A 81 -5.974 -2.589 10.768 1.00 0.00 C ATOM 1150 C ALA A 81 -6.459 -1.142 10.656 1.00 0.00 C ATOM 1151 O ALA A 81 -6.366 -0.376 11.614 1.00 0.00 O ATOM 1152 CB ALA A 81 -4.452 -2.703 10.668 1.00 0.00 C ATOM 0 H ALA A 81 -5.936 -3.777 9.042 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.265 -2.959 11.751 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.990 -2.107 11.455 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -4.157 -3.746 10.783 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.123 -2.338 9.695 1.00 0.00 H new ATOM 1158 N CYS A 82 -6.965 -0.811 9.477 1.00 0.00 N ATOM 1159 CA CYS A 82 -7.464 0.531 9.227 1.00 0.00 C ATOM 1160 C CYS A 82 -8.764 0.714 10.014 1.00 0.00 C ATOM 1161 O CYS A 82 -8.804 1.469 10.985 1.00 0.00 O ATOM 1162 CB CYS A 82 -7.661 0.792 7.732 1.00 0.00 C ATOM 1163 SG CYS A 82 -6.816 2.342 7.251 1.00 0.00 S ATOM 0 H CYS A 82 -7.040 -1.449 8.684 1.00 0.00 H new ATOM 0 HA CYS A 82 -6.730 1.263 9.563 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -7.265 -0.043 7.153 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -8.725 0.862 7.504 1.00 0.00 H new ATOM 0 HG CYS A 82 -6.987 2.553 5.980 1.00 0.00 H new ATOM 1169 N ALA A 83 -9.794 0.012 9.566 1.00 0.00 N ATOM 1170 CA ALA A 83 -11.091 0.088 10.216 1.00 0.00 C ATOM 1171 C ALA A 83 -10.940 -0.291 11.691 1.00 0.00 C ATOM 1172 O ALA A 83 -11.768 0.084 12.520 1.00 0.00 O ATOM 1173 CB ALA A 83 -12.084 -0.815 9.482 1.00 0.00 C ATOM 0 H ALA A 83 -9.757 -0.612 8.760 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.482 1.105 10.174 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -13.057 -0.758 9.970 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.177 -0.487 8.447 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.726 -1.844 9.506 1.00 0.00 H new ATOM 1179 N GLN A 84 -9.877 -1.029 11.974 1.00 0.00 N ATOM 1180 CA GLN A 84 -9.607 -1.462 13.335 1.00 0.00 C ATOM 1181 C GLN A 84 -9.568 -0.257 14.277 1.00 0.00 C ATOM 1182 O GLN A 84 -9.887 -0.379 15.459 1.00 0.00 O ATOM 1183 CB GLN A 84 -8.302 -2.257 13.408 1.00 0.00 C ATOM 1184 CG GLN A 84 -8.537 -3.729 13.063 1.00 0.00 C ATOM 1185 CD GLN A 84 -8.351 -4.618 14.294 1.00 0.00 C ATOM 1186 OE1 GLN A 84 -8.037 -4.160 15.381 1.00 0.00 O ATOM 1187 NE2 GLN A 84 -8.560 -5.911 14.065 1.00 0.00 N ATOM 0 H GLN A 84 -9.192 -1.338 11.284 1.00 0.00 H new ATOM 0 HA GLN A 84 -10.414 -2.121 13.653 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -7.573 -1.830 12.719 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -7.879 -2.177 14.409 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -9.544 -3.857 12.667 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -7.845 -4.037 12.280 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -8.821 -6.228 13.131 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -8.460 -6.586 14.823 1.00 0.00 H new ATOM 1196 N ASN A 85 -9.175 0.878 13.719 1.00 0.00 N ATOM 1197 CA ASN A 85 -9.091 2.104 14.495 1.00 0.00 C ATOM 1198 C ASN A 85 -10.321 2.968 14.212 1.00 0.00 C ATOM 1199 O ASN A 85 -10.630 3.883 14.973 1.00 0.00 O ATOM 1200 CB ASN A 85 -7.848 2.912 14.116 1.00 0.00 C ATOM 1201 CG ASN A 85 -7.750 4.191 14.950 1.00 0.00 C ATOM 1202 OD1 ASN A 85 -8.540 5.111 14.818 1.00 0.00 O ATOM 1203 ND2 ASN A 85 -6.739 4.197 15.813 1.00 0.00 N ATOM 0 H ASN A 85 -8.911 0.975 12.739 1.00 0.00 H new ATOM 0 HA ASN A 85 -9.037 1.832 15.549 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -6.955 2.305 14.268 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -7.884 3.166 13.057 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -6.588 5.006 16.416 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -6.114 3.393 15.872 1.00 0.00 H new ATOM 1210 N GLY A 86 -10.990 2.646 13.114 1.00 0.00 N ATOM 1211 CA GLY A 86 -12.180 3.381 12.721 1.00 0.00 C ATOM 1212 C GLY A 86 -11.968 4.091 11.382 1.00 0.00 C ATOM 1213 O GLY A 86 -12.787 4.913 10.975 1.00 0.00 O ATOM 0 H GLY A 86 -10.730 1.886 12.485 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.025 2.697 12.644 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -12.430 4.113 13.489 1.00 0.00 H new ATOM 1217 N LEU A 87 -10.865 3.747 10.734 1.00 0.00 N ATOM 1218 CA LEU A 87 -10.535 4.340 9.450 1.00 0.00 C ATOM 1219 C LEU A 87 -11.389 3.692 8.358 1.00 0.00 C ATOM 1220 O LEU A 87 -11.824 2.550 8.502 1.00 0.00 O ATOM 1221 CB LEU A 87 -9.030 4.250 9.188 1.00 0.00 C ATOM 1222 CG LEU A 87 -8.138 5.076 10.117 1.00 0.00 C ATOM 1223 CD1 LEU A 87 -6.660 4.885 9.769 1.00 0.00 C ATOM 1224 CD2 LEU A 87 -8.544 6.551 10.099 1.00 0.00 C ATOM 0 H LEU A 87 -10.188 3.064 11.075 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.772 5.404 9.451 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.730 3.205 9.263 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.840 4.563 8.161 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.279 4.716 11.136 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.047 5.483 10.444 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.395 3.833 9.874 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.484 5.203 8.741 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.894 7.115 10.768 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.450 6.942 9.086 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.578 6.648 10.431 1.00 0.00 H new ATOM 1236 N GLU A 88 -11.603 4.447 7.291 1.00 0.00 N ATOM 1237 CA GLU A 88 -12.397 3.960 6.176 1.00 0.00 C ATOM 1238 C GLU A 88 -12.007 2.520 5.836 1.00 0.00 C ATOM 1239 O GLU A 88 -10.990 2.019 6.314 1.00 0.00 O ATOM 1240 CB GLU A 88 -12.247 4.871 4.956 1.00 0.00 C ATOM 1241 CG GLU A 88 -13.581 5.034 4.226 1.00 0.00 C ATOM 1242 CD GLU A 88 -13.894 6.511 3.978 1.00 0.00 C ATOM 1243 OE1 GLU A 88 -13.709 7.343 4.878 1.00 0.00 O ATOM 1244 OE2 GLU A 88 -14.344 6.783 2.800 1.00 0.00 O ATOM 0 H GLU A 88 -11.240 5.393 7.175 1.00 0.00 H new ATOM 0 HA GLU A 88 -13.446 3.972 6.470 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.879 5.848 5.270 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.505 4.454 4.275 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -13.547 4.501 3.276 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -14.380 4.583 4.815 1.00 0.00 H new ATOM 1252 N VAL A 89 -12.836 1.895 5.013 1.00 0.00 N ATOM 1253 CA VAL A 89 -12.590 0.523 4.603 1.00 0.00 C ATOM 1254 C VAL A 89 -12.204 0.498 3.123 1.00 0.00 C ATOM 1255 O VAL A 89 -11.845 -0.550 2.589 1.00 0.00 O ATOM 1256 CB VAL A 89 -13.812 -0.344 4.917 1.00 0.00 C ATOM 1257 CG1 VAL A 89 -13.458 -1.831 4.861 1.00 0.00 C ATOM 1258 CG2 VAL A 89 -14.413 0.027 6.274 1.00 0.00 C ATOM 0 H VAL A 89 -13.679 2.313 4.619 1.00 0.00 H new ATOM 0 HA VAL A 89 -11.756 0.101 5.163 1.00 0.00 H new ATOM 0 HB VAL A 89 -14.565 -0.151 4.153 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -14.344 -2.425 5.088 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -13.099 -2.082 3.863 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -12.679 -2.047 5.592 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -15.280 -0.604 6.473 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -13.668 -0.123 7.055 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -14.720 1.073 6.262 1.00 0.00 H new ATOM 1268 N SER A 90 -12.290 1.665 2.502 1.00 0.00 N ATOM 1269 CA SER A 90 -11.954 1.791 1.094 1.00 0.00 C ATOM 1270 C SER A 90 -10.501 2.245 0.942 1.00 0.00 C ATOM 1271 O SER A 90 -9.941 2.860 1.848 1.00 0.00 O ATOM 1272 CB SER A 90 -12.893 2.771 0.389 1.00 0.00 C ATOM 1273 OG SER A 90 -14.014 2.112 -0.194 1.00 0.00 O ATOM 0 H SER A 90 -12.588 2.532 2.948 1.00 0.00 H new ATOM 0 HA SER A 90 -12.074 0.814 0.625 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.242 3.516 1.104 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.344 3.306 -0.386 1.00 0.00 H new ATOM 0 HG SER A 90 -14.590 2.772 -0.633 1.00 0.00 H new ATOM 1279 N LEU A 91 -9.932 1.924 -0.211 1.00 0.00 N ATOM 1280 CA LEU A 91 -8.555 2.291 -0.493 1.00 0.00 C ATOM 1281 C LEU A 91 -8.429 3.816 -0.499 1.00 0.00 C ATOM 1282 O LEU A 91 -7.337 4.353 -0.320 1.00 0.00 O ATOM 1283 CB LEU A 91 -8.079 1.630 -1.788 1.00 0.00 C ATOM 1284 CG LEU A 91 -7.229 0.368 -1.624 1.00 0.00 C ATOM 1285 CD1 LEU A 91 -7.062 -0.358 -2.960 1.00 0.00 C ATOM 1286 CD2 LEU A 91 -5.882 0.695 -0.977 1.00 0.00 C ATOM 0 H LEU A 91 -10.400 1.414 -0.960 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.894 1.919 0.290 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.954 1.379 -2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.503 2.361 -2.355 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.753 -0.312 -0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.454 -1.251 -2.815 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -8.041 -0.644 -3.344 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.571 0.303 -3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.297 -0.219 -0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.339 1.403 -1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.048 1.135 0.006 1.00 0.00 H new ATOM 1298 N SER A 92 -9.562 4.470 -0.708 1.00 0.00 N ATOM 1299 CA SER A 92 -9.592 5.923 -0.740 1.00 0.00 C ATOM 1300 C SER A 92 -9.055 6.486 0.577 1.00 0.00 C ATOM 1301 O SER A 92 -8.709 7.664 0.657 1.00 0.00 O ATOM 1302 CB SER A 92 -11.009 6.438 -0.999 1.00 0.00 C ATOM 1303 OG SER A 92 -11.428 6.199 -2.340 1.00 0.00 O ATOM 0 H SER A 92 -10.466 4.021 -0.857 1.00 0.00 H new ATOM 0 HA SER A 92 -8.956 6.261 -1.558 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.702 5.954 -0.311 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.049 7.507 -0.792 1.00 0.00 H new ATOM 0 HG SER A 92 -12.338 6.541 -2.464 1.00 0.00 H new ATOM 1309 N SER A 93 -9.002 5.619 1.577 1.00 0.00 N ATOM 1310 CA SER A 93 -8.513 6.016 2.887 1.00 0.00 C ATOM 1311 C SER A 93 -7.328 5.136 3.291 1.00 0.00 C ATOM 1312 O SER A 93 -7.088 4.918 4.478 1.00 0.00 O ATOM 1313 CB SER A 93 -9.621 5.930 3.938 1.00 0.00 C ATOM 1314 OG SER A 93 -9.502 6.952 4.924 1.00 0.00 O ATOM 0 H SER A 93 -9.290 4.643 1.507 1.00 0.00 H new ATOM 0 HA SER A 93 -8.184 7.054 2.830 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.592 6.010 3.449 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.587 4.954 4.422 1.00 0.00 H new ATOM 0 HG SER A 93 -8.629 6.883 5.363 1.00 0.00 H new ATOM 1320 N LEU A 94 -6.618 4.654 2.282 1.00 0.00 N ATOM 1321 CA LEU A 94 -5.464 3.803 2.517 1.00 0.00 C ATOM 1322 C LEU A 94 -4.189 4.567 2.153 1.00 0.00 C ATOM 1323 O LEU A 94 -4.245 5.749 1.815 1.00 0.00 O ATOM 1324 CB LEU A 94 -5.618 2.474 1.775 1.00 0.00 C ATOM 1325 CG LEU A 94 -6.272 1.338 2.563 1.00 0.00 C ATOM 1326 CD1 LEU A 94 -5.414 0.938 3.764 1.00 0.00 C ATOM 1327 CD2 LEU A 94 -7.699 1.707 2.975 1.00 0.00 C ATOM 0 H LEU A 94 -6.820 4.837 1.299 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.390 3.545 3.573 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.206 2.650 0.874 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.630 2.144 1.452 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.340 0.466 1.912 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.902 0.129 4.307 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.436 0.604 3.417 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.291 1.796 4.425 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.141 0.882 3.534 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.678 2.599 3.601 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.296 1.903 2.084 1.00 0.00 H new ATOM 1339 N SER A 95 -3.071 3.861 2.233 1.00 0.00 N ATOM 1340 CA SER A 95 -1.785 4.458 1.916 1.00 0.00 C ATOM 1341 C SER A 95 -1.307 5.324 3.084 1.00 0.00 C ATOM 1342 O SER A 95 -0.479 6.215 2.902 1.00 0.00 O ATOM 1343 CB SER A 95 -1.865 5.292 0.635 1.00 0.00 C ATOM 1344 OG SER A 95 -2.216 6.647 0.902 1.00 0.00 O ATOM 0 H SER A 95 -3.029 2.881 2.513 1.00 0.00 H new ATOM 0 HA SER A 95 -1.067 3.655 1.750 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.904 5.261 0.121 1.00 0.00 H new ATOM 0 HB3 SER A 95 -2.601 4.853 -0.038 1.00 0.00 H new ATOM 0 HG SER A 95 -2.913 6.675 1.590 1.00 0.00 H new ATOM 1350 N LEU A 96 -1.850 5.031 4.256 1.00 0.00 N ATOM 1351 CA LEU A 96 -1.490 5.771 5.453 1.00 0.00 C ATOM 1352 C LEU A 96 -0.687 4.863 6.387 1.00 0.00 C ATOM 1353 O LEU A 96 -0.196 3.816 5.969 1.00 0.00 O ATOM 1354 CB LEU A 96 -2.735 6.375 6.105 1.00 0.00 C ATOM 1355 CG LEU A 96 -3.934 6.600 5.180 1.00 0.00 C ATOM 1356 CD1 LEU A 96 -5.247 6.555 5.964 1.00 0.00 C ATOM 1357 CD2 LEU A 96 -3.781 7.903 4.392 1.00 0.00 C ATOM 0 H LEU A 96 -2.537 4.291 4.402 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.849 6.616 5.199 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.047 5.722 6.920 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.460 7.331 6.550 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.964 5.787 4.455 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.083 6.718 5.284 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.352 5.581 6.442 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.243 7.334 6.726 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.646 8.039 3.743 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.712 8.741 5.085 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.876 7.858 3.786 1.00 0.00 H new ATOM 1369 N ALA A 97 -0.577 5.298 7.634 1.00 0.00 N ATOM 1370 CA ALA A 97 0.158 4.538 8.630 1.00 0.00 C ATOM 1371 C ALA A 97 -0.830 3.782 9.520 1.00 0.00 C ATOM 1372 O ALA A 97 -0.902 4.029 10.723 1.00 0.00 O ATOM 1373 CB ALA A 97 1.060 5.481 9.429 1.00 0.00 C ATOM 0 H ALA A 97 -0.985 6.168 7.977 1.00 0.00 H new ATOM 0 HA ALA A 97 0.801 3.800 8.151 1.00 0.00 H new ATOM 0 HB1 ALA A 97 1.611 4.911 10.176 1.00 0.00 H new ATOM 0 HB2 ALA A 97 1.763 5.970 8.755 1.00 0.00 H new ATOM 0 HB3 ALA A 97 0.449 6.235 9.926 1.00 0.00 H new ATOM 1379 N VAL A 98 -1.568 2.876 8.895 1.00 0.00 N ATOM 1380 CA VAL A 98 -2.549 2.083 9.615 1.00 0.00 C ATOM 1381 C VAL A 98 -1.910 1.524 10.889 1.00 0.00 C ATOM 1382 O VAL A 98 -0.716 1.232 10.912 1.00 0.00 O ATOM 1383 CB VAL A 98 -3.113 0.993 8.702 1.00 0.00 C ATOM 1384 CG1 VAL A 98 -3.453 1.557 7.320 1.00 0.00 C ATOM 1385 CG2 VAL A 98 -2.144 -0.185 8.590 1.00 0.00 C ATOM 0 H VAL A 98 -1.506 2.674 7.897 1.00 0.00 H new ATOM 0 HA VAL A 98 -3.393 2.703 9.919 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.036 0.625 9.150 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.852 0.762 6.691 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.197 2.347 7.422 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.552 1.965 6.862 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.570 -0.945 7.935 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.197 0.161 8.176 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.974 -0.611 9.579 1.00 0.00 H new ATOM 1395 N PRO A 99 -2.757 1.388 11.944 1.00 0.00 N ATOM 1396 CA PRO A 99 -2.288 0.870 13.218 1.00 0.00 C ATOM 1397 C PRO A 99 -2.076 -0.644 13.149 1.00 0.00 C ATOM 1398 O PRO A 99 -2.364 -1.269 12.130 1.00 0.00 O ATOM 1399 CB PRO A 99 -3.353 1.275 14.224 1.00 0.00 C ATOM 1400 CG PRO A 99 -4.596 1.596 13.409 1.00 0.00 C ATOM 1401 CD PRO A 99 -4.178 1.724 11.953 1.00 0.00 C ATOM 0 HA PRO A 99 -1.316 1.272 13.504 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -3.548 0.470 14.932 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -3.033 2.140 14.805 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -5.342 0.810 13.524 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -5.053 2.522 13.758 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -4.749 1.048 11.316 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -4.348 2.734 11.579 1.00 0.00 H new ATOM 1409 N PRO A 100 -1.561 -1.204 14.276 1.00 0.00 N ATOM 1410 CA PRO A 100 -1.308 -2.633 14.353 1.00 0.00 C ATOM 1411 C PRO A 100 -2.613 -3.413 14.520 1.00 0.00 C ATOM 1412 O PRO A 100 -3.413 -3.110 15.404 1.00 0.00 O ATOM 1413 CB PRO A 100 -0.360 -2.801 15.530 1.00 0.00 C ATOM 1414 CG PRO A 100 -0.485 -1.528 16.351 1.00 0.00 C ATOM 1415 CD PRO A 100 -1.208 -0.495 15.503 1.00 0.00 C ATOM 0 HA PRO A 100 -0.864 -3.032 13.441 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -0.625 -3.676 16.123 1.00 0.00 H new ATOM 0 HB3 PRO A 100 0.665 -2.946 15.188 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.037 -1.720 17.271 1.00 0.00 H new ATOM 0 HG3 PRO A 100 0.500 -1.162 16.640 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.095 -0.117 16.011 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -0.569 0.363 15.295 1.00 0.00 H new ATOM 1423 N PRO A 101 -2.792 -4.429 13.635 1.00 0.00 N ATOM 1424 CA PRO A 101 -3.987 -5.256 13.676 1.00 0.00 C ATOM 1425 C PRO A 101 -3.933 -6.239 14.846 1.00 0.00 C ATOM 1426 O PRO A 101 -3.162 -6.050 15.786 1.00 0.00 O ATOM 1427 CB PRO A 101 -4.034 -5.946 12.322 1.00 0.00 C ATOM 1428 CG PRO A 101 -2.629 -5.843 11.752 1.00 0.00 C ATOM 1429 CD PRO A 101 -1.866 -4.817 12.575 1.00 0.00 C ATOM 0 HA PRO A 101 -4.895 -4.676 13.845 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -4.338 -6.988 12.425 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -4.758 -5.466 11.664 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -2.130 -6.811 11.791 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -2.663 -5.543 10.705 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -0.950 -5.241 12.985 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -1.576 -3.959 11.968 1.00 0.00 H new ATOM 1437 N ARG A 102 -4.762 -7.269 14.751 1.00 0.00 N ATOM 1438 CA ARG A 102 -4.819 -8.282 15.791 1.00 0.00 C ATOM 1439 C ARG A 102 -3.998 -9.507 15.383 1.00 0.00 C ATOM 1440 O ARG A 102 -3.448 -10.203 16.236 1.00 0.00 O ATOM 1441 CB ARG A 102 -6.262 -8.712 16.063 1.00 0.00 C ATOM 1442 CG ARG A 102 -6.499 -8.919 17.560 1.00 0.00 C ATOM 1443 CD ARG A 102 -7.835 -8.311 17.993 1.00 0.00 C ATOM 1444 NE ARG A 102 -8.459 -9.153 19.038 1.00 0.00 N ATOM 1445 CZ ARG A 102 -9.023 -10.357 18.803 1.00 0.00 C ATOM 1446 NH1 ARG A 102 -9.047 -10.871 17.556 1.00 0.00 N ATOM 1447 NH2 ARG A 102 -9.552 -11.023 19.813 1.00 0.00 N ATOM 0 H ARG A 102 -5.399 -7.423 13.970 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.404 -7.848 16.700 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -6.948 -7.955 15.684 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -6.477 -9.636 15.526 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -6.489 -9.985 17.789 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -5.687 -8.463 18.127 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -7.678 -7.302 18.373 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -8.502 -8.228 17.135 1.00 0.00 H new ATOM 0 HE ARG A 102 -8.463 -8.802 19.996 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -8.637 -10.349 16.781 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -9.475 -11.781 17.388 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -9.530 -10.626 20.753 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -9.982 -11.934 19.654 1.00 0.00 H new ATOM 1460 N PHE A 103 -3.940 -9.734 14.079 1.00 0.00 N ATOM 1461 CA PHE A 103 -3.195 -10.863 13.548 1.00 0.00 C ATOM 1462 C PHE A 103 -1.858 -11.027 14.273 1.00 0.00 C ATOM 1463 O PHE A 103 -1.429 -10.135 15.002 1.00 0.00 O ATOM 1464 CB PHE A 103 -2.928 -10.567 12.071 1.00 0.00 C ATOM 1465 CG PHE A 103 -4.149 -10.046 11.309 1.00 0.00 C ATOM 1466 CD1 PHE A 103 -5.225 -10.855 11.115 1.00 0.00 C ATOM 1467 CD2 PHE A 103 -4.158 -8.774 10.828 1.00 0.00 C ATOM 1468 CE1 PHE A 103 -6.358 -10.371 10.408 1.00 0.00 C ATOM 1469 CE2 PHE A 103 -5.290 -8.291 10.121 1.00 0.00 C ATOM 1470 CZ PHE A 103 -6.367 -9.099 9.927 1.00 0.00 C ATOM 0 H PHE A 103 -4.397 -9.155 13.374 1.00 0.00 H new ATOM 0 HA PHE A 103 -3.765 -11.782 13.682 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -2.126 -9.832 11.998 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -2.572 -11.477 11.587 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -5.218 -11.865 11.498 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -3.304 -8.132 10.984 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -7.212 -11.013 10.252 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -5.296 -7.282 9.737 1.00 0.00 H new ATOM 0 HZ PHE A 103 -7.229 -8.730 9.391 1.00 0.00 H new ATOM 1480 N HIS A 104 -1.237 -12.176 14.047 1.00 0.00 N ATOM 1481 CA HIS A 104 0.043 -12.469 14.670 1.00 0.00 C ATOM 1482 C HIS A 104 1.105 -11.503 14.140 1.00 0.00 C ATOM 1483 O HIS A 104 0.844 -10.733 13.217 1.00 0.00 O ATOM 1484 CB HIS A 104 0.423 -13.937 14.467 1.00 0.00 C ATOM 1485 CG HIS A 104 1.250 -14.518 15.589 1.00 0.00 C ATOM 1486 ND1 HIS A 104 1.900 -15.736 15.487 1.00 0.00 N ATOM 1487 CD2 HIS A 104 1.525 -14.037 16.835 1.00 0.00 C ATOM 1488 CE1 HIS A 104 2.535 -15.967 16.627 1.00 0.00 C ATOM 1489 NE2 HIS A 104 2.301 -14.913 17.461 1.00 0.00 N ATOM 0 H HIS A 104 -1.596 -12.914 13.442 1.00 0.00 H new ATOM 0 HA HIS A 104 -0.030 -12.319 15.747 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -0.488 -14.526 14.358 1.00 0.00 H new ATOM 0 HB3 HIS A 104 0.978 -14.032 13.534 1.00 0.00 H new ATOM 0 HD2 HIS A 104 1.171 -13.102 17.243 1.00 0.00 H new ATOM 0 HE1 HIS A 104 3.133 -16.837 16.856 1.00 0.00 H new ATOM 0 HE2 HIS A 104 2.663 -14.814 18.410 1.00 0.00 H new ATOM 1497 N ASP A 105 2.281 -11.576 14.746 1.00 0.00 N ATOM 1498 CA ASP A 105 3.383 -10.718 14.347 1.00 0.00 C ATOM 1499 C ASP A 105 2.948 -9.255 14.451 1.00 0.00 C ATOM 1500 O ASP A 105 3.213 -8.594 15.454 1.00 0.00 O ATOM 1501 CB ASP A 105 3.794 -10.988 12.898 1.00 0.00 C ATOM 1502 CG ASP A 105 4.439 -9.802 12.178 1.00 0.00 C ATOM 1503 OD1 ASP A 105 5.232 -9.052 12.766 1.00 0.00 O ATOM 1504 OD2 ASP A 105 4.094 -9.661 10.943 1.00 0.00 O ATOM 0 H ASP A 105 2.494 -12.216 15.511 1.00 0.00 H new ATOM 0 HA ASP A 105 4.227 -10.924 15.005 1.00 0.00 H new ATOM 0 HB2 ASP A 105 4.491 -11.825 12.884 1.00 0.00 H new ATOM 0 HB3 ASP A 105 2.912 -11.298 12.338 1.00 0.00 H new