USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 430 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 105 THR OG1 : rot 175:sc= -0.321 USER MOD Set 1.2: A 107 GLN : amide:sc= -2.54! C(o=-2.9!,f=-7.7!) USER MOD Single : A 64 ASN : amide:sc= -0.112 K(o=-0.11,f=-1.8!) USER MOD Single : A 70 HIS : no HE2:sc= -5.53! C(o=-5.5!,f=-5.9!) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0811 USER MOD Single : A 72 TYR OH : rot 67:sc= -1.03! USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 GLN : amide:sc= -0.0347 X(o=-0.035,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -130:sc= -2.51 (180deg=-6.91!) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= -0.0886 USER MOD Single : A 104 THR OG1 : rot 127:sc= 0.135 USER MOD Single : A 114 ASN : amide:sc= -0.0282 X(o=-0.028,f=-0.12) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= -0.0463 X(o=-0.046,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 64 2.146 2.346 12.670 1.00 0.00 N ATOM 2 CA ASN A 64 2.465 1.936 11.305 1.00 0.00 C ATOM 3 C ASN A 64 1.566 2.656 10.319 1.00 0.00 C ATOM 4 O ASN A 64 1.310 2.157 9.222 1.00 0.00 O ATOM 5 CB ASN A 64 2.278 0.428 11.128 1.00 0.00 C ATOM 6 CG ASN A 64 3.486 -0.374 11.571 1.00 0.00 C ATOM 7 OD1 ASN A 64 4.609 0.130 11.586 1.00 0.00 O ATOM 8 ND2 ASN A 64 3.261 -1.634 11.926 1.00 0.00 N ATOM 0 HA ASN A 64 3.507 2.193 11.117 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.406 0.106 11.698 1.00 0.00 H new ATOM 0 HB3 ASN A 64 2.071 0.214 10.080 1.00 0.00 H new ATOM 0 HD21 ASN A 64 4.036 -2.225 12.226 1.00 0.00 H new ATOM 0 HD22 ASN A 64 2.313 -2.010 11.898 1.00 0.00 H new ATOM 15 N LEU A 65 1.071 3.822 10.710 1.00 0.00 N ATOM 16 CA LEU A 65 0.188 4.574 9.846 1.00 0.00 C ATOM 17 C LEU A 65 0.960 5.369 8.816 1.00 0.00 C ATOM 18 O LEU A 65 2.034 5.910 9.084 1.00 0.00 O ATOM 19 CB LEU A 65 -0.716 5.503 10.645 1.00 0.00 C ATOM 20 CG LEU A 65 -1.455 6.536 9.813 1.00 0.00 C ATOM 21 CD1 LEU A 65 -2.319 5.846 8.772 1.00 0.00 C ATOM 22 CD2 LEU A 65 -2.296 7.445 10.697 1.00 0.00 C ATOM 0 H LEU A 65 1.266 4.259 11.611 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.435 3.847 9.325 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.446 4.901 11.186 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.114 6.021 11.392 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.721 7.157 9.300 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.845 6.596 8.181 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.689 5.244 8.117 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.044 5.202 9.270 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.815 8.176 10.077 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.026 6.848 11.243 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.650 7.963 11.405 1.00 0.00 H new ATOM 34 N VAL A 66 0.387 5.417 7.635 1.00 0.00 N ATOM 35 CA VAL A 66 0.973 6.123 6.513 1.00 0.00 C ATOM 36 C VAL A 66 0.006 7.130 5.905 1.00 0.00 C ATOM 37 O VAL A 66 -1.112 7.311 6.381 1.00 0.00 O ATOM 38 CB VAL A 66 1.387 5.142 5.419 1.00 0.00 C ATOM 39 CG1 VAL A 66 2.701 4.467 5.768 1.00 0.00 C ATOM 40 CG2 VAL A 66 0.293 4.111 5.176 1.00 0.00 C ATOM 0 H VAL A 66 -0.503 4.966 7.422 1.00 0.00 H new ATOM 0 HA VAL A 66 1.843 6.653 6.900 1.00 0.00 H new ATOM 0 HB VAL A 66 1.532 5.704 4.496 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.976 3.773 4.974 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.480 5.221 5.876 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.592 3.921 6.705 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.610 3.422 4.393 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.107 3.555 6.095 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.622 4.617 4.867 1.00 0.00 H new ATOM 50 N ILE A 67 0.451 7.769 4.833 1.00 0.00 N ATOM 51 CA ILE A 67 -0.359 8.744 4.130 1.00 0.00 C ATOM 52 C ILE A 67 -0.072 8.700 2.634 1.00 0.00 C ATOM 53 O ILE A 67 1.079 8.779 2.204 1.00 0.00 O ATOM 54 CB ILE A 67 -0.155 10.171 4.693 1.00 0.00 C ATOM 55 CG1 ILE A 67 -1.403 10.569 5.469 1.00 0.00 C ATOM 56 CG2 ILE A 67 0.132 11.181 3.589 1.00 0.00 C ATOM 57 CD1 ILE A 67 -1.458 12.022 5.888 1.00 0.00 C ATOM 0 H ILE A 67 1.377 7.626 4.431 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.405 8.482 4.288 1.00 0.00 H new ATOM 0 HB ILE A 67 0.714 10.168 5.352 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.278 10.349 4.858 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.472 9.946 6.361 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.269 12.170 4.027 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.038 10.891 3.057 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.705 11.206 2.892 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.383 12.208 6.434 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.606 12.248 6.529 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.425 12.657 5.003 1.00 0.00 H new ATOM 69 N ALA A 68 -1.131 8.553 1.853 1.00 0.00 N ATOM 70 CA ALA A 68 -1.013 8.472 0.400 1.00 0.00 C ATOM 71 C ALA A 68 -0.470 9.761 -0.204 1.00 0.00 C ATOM 72 O ALA A 68 -0.654 10.848 0.344 1.00 0.00 O ATOM 73 CB ALA A 68 -2.358 8.124 -0.222 1.00 0.00 C ATOM 0 H ALA A 68 -2.088 8.487 2.200 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.298 7.680 0.176 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.254 8.067 -1.306 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.698 7.162 0.161 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.087 8.894 0.033 1.00 0.00 H new ATOM 79 N LEU A 69 0.195 9.621 -1.346 1.00 0.00 N ATOM 80 CA LEU A 69 0.768 10.760 -2.055 1.00 0.00 C ATOM 81 C LEU A 69 0.189 10.871 -3.464 1.00 0.00 C ATOM 82 O LEU A 69 0.722 11.590 -4.309 1.00 0.00 O ATOM 83 CB LEU A 69 2.288 10.609 -2.138 1.00 0.00 C ATOM 84 CG LEU A 69 3.021 10.744 -0.800 1.00 0.00 C ATOM 85 CD1 LEU A 69 4.520 10.511 -0.969 1.00 0.00 C ATOM 86 CD2 LEU A 69 2.764 12.117 -0.199 1.00 0.00 C ATOM 0 H LEU A 69 0.351 8.723 -1.803 1.00 0.00 H new ATOM 0 HA LEU A 69 0.519 11.667 -1.504 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.519 9.634 -2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.677 11.359 -2.826 1.00 0.00 H new ATOM 0 HG LEU A 69 2.636 9.982 -0.122 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.015 10.613 -0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.690 9.508 -1.360 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.926 11.245 -1.664 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.290 12.202 0.752 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.123 12.886 -0.882 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.694 12.248 -0.035 1.00 0.00 H new ATOM 98 N HIS A 70 -0.898 10.143 -3.716 1.00 0.00 N ATOM 99 CA HIS A 70 -1.539 10.147 -5.027 1.00 0.00 C ATOM 100 C HIS A 70 -2.902 9.464 -4.964 1.00 0.00 C ATOM 101 O HIS A 70 -3.069 8.460 -4.272 1.00 0.00 O ATOM 102 CB HIS A 70 -0.656 9.439 -6.072 1.00 0.00 C ATOM 103 CG HIS A 70 0.557 8.754 -5.506 1.00 0.00 C ATOM 104 ND1 HIS A 70 1.773 8.726 -6.154 1.00 0.00 N ATOM 105 CD2 HIS A 70 0.740 8.078 -4.346 1.00 0.00 C ATOM 106 CE1 HIS A 70 2.649 8.067 -5.417 1.00 0.00 C ATOM 107 NE2 HIS A 70 2.049 7.664 -4.313 1.00 0.00 N ATOM 0 H HIS A 70 -1.352 9.543 -3.028 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.675 11.186 -5.325 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.261 8.701 -6.599 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.332 10.172 -6.811 1.00 0.00 H new ATOM 0 HD1 HIS A 70 1.967 9.149 -7.062 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -0.007 7.898 -3.587 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.682 7.888 -5.675 1.00 0.00 H new ATOM 116 N SER A 71 -3.873 10.007 -5.694 1.00 0.00 N ATOM 117 CA SER A 71 -5.215 9.434 -5.721 1.00 0.00 C ATOM 118 C SER A 71 -5.161 7.983 -6.183 1.00 0.00 C ATOM 119 O SER A 71 -4.622 7.682 -7.247 1.00 0.00 O ATOM 120 CB SER A 71 -6.125 10.241 -6.647 1.00 0.00 C ATOM 121 OG SER A 71 -5.666 11.575 -6.781 1.00 0.00 O ATOM 0 H SER A 71 -3.756 10.839 -6.272 1.00 0.00 H new ATOM 0 HA SER A 71 -5.623 9.470 -4.711 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.163 9.767 -7.628 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.141 10.241 -6.253 1.00 0.00 H new ATOM 0 HG SER A 71 -6.265 12.068 -7.380 1.00 0.00 H new ATOM 127 N TYR A 72 -5.703 7.084 -5.370 1.00 0.00 N ATOM 128 CA TYR A 72 -5.688 5.661 -5.703 1.00 0.00 C ATOM 129 C TYR A 72 -7.040 5.155 -6.193 1.00 0.00 C ATOM 130 O TYR A 72 -8.093 5.606 -5.744 1.00 0.00 O ATOM 131 CB TYR A 72 -5.259 4.828 -4.496 1.00 0.00 C ATOM 132 CG TYR A 72 -4.980 3.382 -4.839 1.00 0.00 C ATOM 133 CD1 TYR A 72 -4.175 3.044 -5.921 1.00 0.00 C ATOM 134 CD2 TYR A 72 -5.527 2.354 -4.084 1.00 0.00 C ATOM 135 CE1 TYR A 72 -3.926 1.723 -6.237 1.00 0.00 C ATOM 136 CE2 TYR A 72 -5.282 1.033 -4.395 1.00 0.00 C ATOM 137 CZ TYR A 72 -4.483 0.722 -5.471 1.00 0.00 C ATOM 138 OH TYR A 72 -4.242 -0.593 -5.785 1.00 0.00 O ATOM 0 H TYR A 72 -6.155 7.310 -4.484 1.00 0.00 H new ATOM 0 HA TYR A 72 -4.969 5.548 -6.515 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.364 5.270 -4.057 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -6.040 4.870 -3.737 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.738 3.826 -6.523 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.155 2.593 -3.239 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.298 1.476 -7.080 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.716 0.246 -3.796 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.294 -0.795 -5.641 1.00 0.00 H new ATOM 148 N GLU A 73 -6.983 4.191 -7.108 1.00 0.00 N ATOM 149 CA GLU A 73 -8.169 3.575 -7.668 1.00 0.00 C ATOM 150 C GLU A 73 -7.975 2.061 -7.757 1.00 0.00 C ATOM 151 O GLU A 73 -7.413 1.549 -8.727 1.00 0.00 O ATOM 152 CB GLU A 73 -8.453 4.150 -9.039 1.00 0.00 C ATOM 153 CG GLU A 73 -9.762 4.910 -9.116 1.00 0.00 C ATOM 154 CD GLU A 73 -9.881 5.747 -10.374 1.00 0.00 C ATOM 155 OE1 GLU A 73 -8.893 6.419 -10.736 1.00 0.00 O ATOM 156 OE2 GLU A 73 -10.963 5.730 -10.997 1.00 0.00 O ATOM 0 H GLU A 73 -6.109 3.819 -7.479 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.020 3.783 -7.019 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.638 4.816 -9.321 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -8.469 3.340 -9.768 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.591 4.203 -9.076 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.853 5.558 -8.244 1.00 0.00 H new ATOM 163 N PRO A 74 -8.432 1.334 -6.729 1.00 0.00 N ATOM 164 CA PRO A 74 -8.323 -0.119 -6.635 1.00 0.00 C ATOM 165 C PRO A 74 -8.493 -0.826 -7.975 1.00 0.00 C ATOM 166 O PRO A 74 -9.490 -0.636 -8.672 1.00 0.00 O ATOM 167 CB PRO A 74 -9.461 -0.498 -5.670 1.00 0.00 C ATOM 168 CG PRO A 74 -10.073 0.793 -5.212 1.00 0.00 C ATOM 169 CD PRO A 74 -9.095 1.877 -5.559 1.00 0.00 C ATOM 0 HA PRO A 74 -7.333 -0.424 -6.296 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.201 -1.124 -6.169 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -9.079 -1.069 -4.824 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -11.031 0.964 -5.703 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.264 0.772 -4.139 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.595 2.821 -5.777 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.394 2.067 -4.746 1.00 0.00 H new ATOM 177 N SER A 75 -7.507 -1.649 -8.323 1.00 0.00 N ATOM 178 CA SER A 75 -7.533 -2.398 -9.573 1.00 0.00 C ATOM 179 C SER A 75 -7.406 -3.895 -9.307 1.00 0.00 C ATOM 180 O SER A 75 -8.095 -4.706 -9.927 1.00 0.00 O ATOM 181 CB SER A 75 -6.403 -1.933 -10.494 1.00 0.00 C ATOM 182 OG SER A 75 -6.849 -0.918 -11.376 1.00 0.00 O ATOM 0 H SER A 75 -6.677 -1.813 -7.753 1.00 0.00 H new ATOM 0 HA SER A 75 -8.489 -2.212 -10.063 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.572 -1.560 -9.895 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.027 -2.779 -11.069 1.00 0.00 H new ATOM 0 HG SER A 75 -6.108 -0.637 -11.953 1.00 0.00 H new ATOM 188 N HIS A 76 -6.524 -4.255 -8.377 1.00 0.00 N ATOM 189 CA HIS A 76 -6.312 -5.654 -8.027 1.00 0.00 C ATOM 190 C HIS A 76 -7.403 -6.145 -7.080 1.00 0.00 C ATOM 191 O HIS A 76 -8.072 -5.347 -6.423 1.00 0.00 O ATOM 192 CB HIS A 76 -4.934 -5.842 -7.382 1.00 0.00 C ATOM 193 CG HIS A 76 -3.903 -6.387 -8.320 1.00 0.00 C ATOM 194 ND1 HIS A 76 -3.557 -5.766 -9.502 1.00 0.00 N ATOM 195 CD2 HIS A 76 -3.141 -7.505 -8.247 1.00 0.00 C ATOM 196 CE1 HIS A 76 -2.626 -6.478 -10.115 1.00 0.00 C ATOM 197 NE2 HIS A 76 -2.357 -7.536 -9.374 1.00 0.00 N ATOM 0 H HIS A 76 -5.946 -3.597 -7.854 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.356 -6.243 -8.943 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -4.590 -4.883 -6.994 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -5.030 -6.515 -6.530 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -3.149 -8.235 -7.451 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -2.165 -6.235 -11.061 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -1.676 -8.261 -9.602 1.00 0.00 H new ATOM 206 N ASP A 77 -7.578 -7.461 -7.014 1.00 0.00 N ATOM 207 CA ASP A 77 -8.589 -8.054 -6.146 1.00 0.00 C ATOM 208 C ASP A 77 -8.214 -7.884 -4.678 1.00 0.00 C ATOM 209 O ASP A 77 -7.058 -8.072 -4.297 1.00 0.00 O ATOM 210 CB ASP A 77 -8.762 -9.539 -6.472 1.00 0.00 C ATOM 211 CG ASP A 77 -10.193 -10.007 -6.292 1.00 0.00 C ATOM 212 OD1 ASP A 77 -11.078 -9.502 -7.014 1.00 0.00 O ATOM 213 OD2 ASP A 77 -10.428 -10.879 -5.430 1.00 0.00 O ATOM 0 H ASP A 77 -7.034 -8.136 -7.551 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.532 -7.537 -6.323 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.450 -9.721 -7.500 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.106 -10.128 -5.830 1.00 0.00 H new ATOM 218 N GLY A 78 -9.196 -7.528 -3.857 1.00 0.00 N ATOM 219 CA GLY A 78 -8.944 -7.339 -2.440 1.00 0.00 C ATOM 220 C GLY A 78 -8.092 -6.118 -2.160 1.00 0.00 C ATOM 221 O GLY A 78 -7.261 -6.132 -1.254 1.00 0.00 O ATOM 0 H GLY A 78 -10.161 -7.367 -4.147 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.894 -7.243 -1.915 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.447 -8.224 -2.041 1.00 0.00 H new ATOM 225 N ASP A 79 -8.298 -5.060 -2.939 1.00 0.00 N ATOM 226 CA ASP A 79 -7.538 -3.830 -2.764 1.00 0.00 C ATOM 227 C ASP A 79 -8.382 -2.754 -2.094 1.00 0.00 C ATOM 228 O ASP A 79 -9.610 -2.763 -2.181 1.00 0.00 O ATOM 229 CB ASP A 79 -7.024 -3.322 -4.112 1.00 0.00 C ATOM 230 CG ASP A 79 -5.992 -4.249 -4.720 1.00 0.00 C ATOM 231 OD1 ASP A 79 -6.218 -5.477 -4.715 1.00 0.00 O ATOM 232 OD2 ASP A 79 -4.954 -3.746 -5.199 1.00 0.00 O ATOM 0 H ASP A 79 -8.983 -5.031 -3.695 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.688 -4.053 -2.119 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -7.862 -3.214 -4.800 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -6.588 -2.332 -3.982 1.00 0.00 H new ATOM 237 N LEU A 80 -7.707 -1.827 -1.431 1.00 0.00 N ATOM 238 CA LEU A 80 -8.371 -0.729 -0.744 1.00 0.00 C ATOM 239 C LEU A 80 -8.088 0.585 -1.462 1.00 0.00 C ATOM 240 O LEU A 80 -6.937 0.899 -1.769 1.00 0.00 O ATOM 241 CB LEU A 80 -7.899 -0.660 0.718 1.00 0.00 C ATOM 242 CG LEU A 80 -7.984 0.717 1.382 1.00 0.00 C ATOM 243 CD1 LEU A 80 -9.432 1.106 1.634 1.00 0.00 C ATOM 244 CD2 LEU A 80 -7.197 0.727 2.683 1.00 0.00 C ATOM 0 H LEU A 80 -6.690 -1.814 -1.354 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.447 -0.902 -0.753 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.491 -1.362 1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.864 -1.001 0.762 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.547 1.451 0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.468 2.088 2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.970 1.139 0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.897 0.370 2.290 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.267 1.713 3.143 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.607 -0.020 3.362 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.152 0.496 2.478 1.00 0.00 H new ATOM 256 N GLY A 81 -9.138 1.351 -1.726 1.00 0.00 N ATOM 257 CA GLY A 81 -8.971 2.619 -2.403 1.00 0.00 C ATOM 258 C GLY A 81 -8.870 3.776 -1.437 1.00 0.00 C ATOM 259 O GLY A 81 -9.528 3.788 -0.397 1.00 0.00 O ATOM 0 H GLY A 81 -10.101 1.116 -1.483 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.073 2.584 -3.019 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.813 2.783 -3.076 1.00 0.00 H new ATOM 263 N PHE A 82 -8.041 4.750 -1.782 1.00 0.00 N ATOM 264 CA PHE A 82 -7.848 5.919 -0.941 1.00 0.00 C ATOM 265 C PHE A 82 -7.576 7.150 -1.786 1.00 0.00 C ATOM 266 O PHE A 82 -7.491 7.069 -3.012 1.00 0.00 O ATOM 267 CB PHE A 82 -6.692 5.701 0.036 1.00 0.00 C ATOM 268 CG PHE A 82 -5.539 4.923 -0.542 1.00 0.00 C ATOM 269 CD1 PHE A 82 -5.669 3.575 -0.826 1.00 0.00 C ATOM 270 CD2 PHE A 82 -4.325 5.543 -0.797 1.00 0.00 C ATOM 271 CE1 PHE A 82 -4.611 2.860 -1.355 1.00 0.00 C ATOM 272 CE2 PHE A 82 -3.263 4.829 -1.325 1.00 0.00 C ATOM 273 CZ PHE A 82 -3.408 3.487 -1.604 1.00 0.00 C ATOM 0 H PHE A 82 -7.491 4.753 -2.641 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.765 6.075 -0.373 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.329 6.671 0.375 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.067 5.176 0.915 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.607 3.076 -0.632 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.207 6.595 -0.581 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.726 1.809 -1.574 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.322 5.323 -1.518 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.581 2.928 -2.017 1.00 0.00 H new ATOM 283 N GLU A 83 -7.447 8.289 -1.126 1.00 0.00 N ATOM 284 CA GLU A 83 -7.188 9.539 -1.816 1.00 0.00 C ATOM 285 C GLU A 83 -5.768 10.022 -1.552 1.00 0.00 C ATOM 286 O GLU A 83 -5.050 9.450 -0.733 1.00 0.00 O ATOM 287 CB GLU A 83 -8.194 10.592 -1.355 1.00 0.00 C ATOM 288 CG GLU A 83 -9.268 10.895 -2.384 1.00 0.00 C ATOM 289 CD GLU A 83 -9.488 12.382 -2.579 1.00 0.00 C ATOM 290 OE1 GLU A 83 -9.780 13.076 -1.582 1.00 0.00 O ATOM 291 OE2 GLU A 83 -9.370 12.854 -3.729 1.00 0.00 O ATOM 0 H GLU A 83 -7.518 8.372 -0.112 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.296 9.375 -2.888 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.669 10.251 -0.435 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.661 11.512 -1.116 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.990 10.445 -3.337 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.204 10.431 -2.074 1.00 0.00 H new ATOM 298 N LYS A 84 -5.372 11.088 -2.234 1.00 0.00 N ATOM 299 CA LYS A 84 -4.046 11.650 -2.042 1.00 0.00 C ATOM 300 C LYS A 84 -3.993 12.339 -0.683 1.00 0.00 C ATOM 301 O LYS A 84 -4.869 13.134 -0.344 1.00 0.00 O ATOM 302 CB LYS A 84 -3.706 12.619 -3.177 1.00 0.00 C ATOM 303 CG LYS A 84 -2.602 13.613 -2.842 1.00 0.00 C ATOM 304 CD LYS A 84 -2.721 14.875 -3.676 1.00 0.00 C ATOM 305 CE LYS A 84 -1.852 14.804 -4.922 1.00 0.00 C ATOM 306 NZ LYS A 84 -1.837 16.096 -5.665 1.00 0.00 N ATOM 0 H LYS A 84 -5.947 11.577 -2.920 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.300 10.856 -2.062 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.407 12.044 -4.053 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.606 13.171 -3.450 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.650 13.869 -1.784 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.630 13.151 -3.015 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.761 15.025 -3.965 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.429 15.737 -3.076 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.834 14.536 -4.639 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.220 14.013 -5.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.234 16.005 -6.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.805 16.340 -5.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.462 16.846 -5.050 1.00 0.00 H new ATOM 320 N GLY A 85 -2.983 11.998 0.105 1.00 0.00 N ATOM 321 CA GLY A 85 -2.862 12.561 1.437 1.00 0.00 C ATOM 322 C GLY A 85 -3.681 11.778 2.446 1.00 0.00 C ATOM 323 O GLY A 85 -3.510 11.939 3.654 1.00 0.00 O ATOM 0 H GLY A 85 -2.245 11.342 -0.153 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.815 12.563 1.739 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.192 13.600 1.426 1.00 0.00 H new ATOM 327 N GLU A 86 -4.561 10.910 1.944 1.00 0.00 N ATOM 328 CA GLU A 86 -5.393 10.079 2.798 1.00 0.00 C ATOM 329 C GLU A 86 -4.521 9.283 3.747 1.00 0.00 C ATOM 330 O GLU A 86 -3.313 9.178 3.548 1.00 0.00 O ATOM 331 CB GLU A 86 -6.225 9.119 1.941 1.00 0.00 C ATOM 332 CG GLU A 86 -7.645 8.855 2.428 1.00 0.00 C ATOM 333 CD GLU A 86 -8.058 9.682 3.633 1.00 0.00 C ATOM 334 OE1 GLU A 86 -7.742 9.275 4.770 1.00 0.00 O ATOM 335 OE2 GLU A 86 -8.697 10.738 3.437 1.00 0.00 O ATOM 0 H GLU A 86 -4.712 10.768 0.945 1.00 0.00 H new ATOM 0 HA GLU A 86 -6.062 10.720 3.373 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.277 9.518 0.928 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.699 8.166 1.881 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.339 9.053 1.611 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.740 7.798 2.678 1.00 0.00 H new ATOM 342 N GLN A 87 -5.132 8.717 4.769 1.00 0.00 N ATOM 343 CA GLN A 87 -4.393 7.928 5.738 1.00 0.00 C ATOM 344 C GLN A 87 -4.953 6.523 5.841 1.00 0.00 C ATOM 345 O GLN A 87 -6.152 6.295 5.684 1.00 0.00 O ATOM 346 CB GLN A 87 -4.401 8.597 7.109 1.00 0.00 C ATOM 347 CG GLN A 87 -4.158 10.092 7.048 1.00 0.00 C ATOM 348 CD GLN A 87 -4.993 10.863 8.050 1.00 0.00 C ATOM 349 OE1 GLN A 87 -5.990 11.490 7.693 1.00 0.00 O ATOM 350 NE2 GLN A 87 -4.590 10.821 9.314 1.00 0.00 N ATOM 0 H GLN A 87 -6.133 8.787 4.951 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.362 7.864 5.389 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.361 8.411 7.591 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.636 8.137 7.735 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.102 10.292 7.231 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.381 10.451 6.043 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.757 10.289 9.566 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -5.113 11.321 10.033 1.00 0.00 H new ATOM 359 N LEU A 88 -4.061 5.591 6.108 1.00 0.00 N ATOM 360 CA LEU A 88 -4.420 4.187 6.244 1.00 0.00 C ATOM 361 C LEU A 88 -3.522 3.516 7.257 1.00 0.00 C ATOM 362 O LEU A 88 -2.297 3.585 7.160 1.00 0.00 O ATOM 363 CB LEU A 88 -4.293 3.442 4.915 1.00 0.00 C ATOM 364 CG LEU A 88 -4.511 4.276 3.655 1.00 0.00 C ATOM 365 CD1 LEU A 88 -3.434 3.963 2.629 1.00 0.00 C ATOM 366 CD2 LEU A 88 -5.892 4.007 3.086 1.00 0.00 C ATOM 0 H LEU A 88 -3.067 5.781 6.237 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.459 4.150 6.572 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.299 2.997 4.864 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.010 2.621 4.912 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.444 5.334 3.911 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.599 4.563 1.734 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.455 4.196 3.047 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.475 2.905 2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.038 4.606 2.187 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.983 2.950 2.836 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.648 4.271 3.825 1.00 0.00 H new ATOM 378 N ARG A 89 -4.133 2.851 8.212 1.00 0.00 N ATOM 379 CA ARG A 89 -3.390 2.153 9.226 1.00 0.00 C ATOM 380 C ARG A 89 -2.910 0.823 8.663 1.00 0.00 C ATOM 381 O ARG A 89 -3.682 -0.123 8.513 1.00 0.00 O ATOM 382 CB ARG A 89 -4.259 1.950 10.456 1.00 0.00 C ATOM 383 CG ARG A 89 -3.674 0.962 11.426 1.00 0.00 C ATOM 384 CD ARG A 89 -4.505 0.868 12.687 1.00 0.00 C ATOM 385 NE ARG A 89 -3.762 0.249 13.780 1.00 0.00 N ATOM 386 CZ ARG A 89 -4.307 -0.547 14.701 1.00 0.00 C ATOM 387 NH1 ARG A 89 -5.608 -0.812 14.680 1.00 0.00 N ATOM 388 NH2 ARG A 89 -3.547 -1.074 15.651 1.00 0.00 N ATOM 0 H ARG A 89 -5.146 2.781 8.304 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.521 2.740 9.525 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.398 2.907 10.959 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -5.246 1.607 10.145 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.612 -0.019 10.955 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.656 1.258 11.680 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.827 1.866 12.985 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.406 0.289 12.486 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.762 0.437 13.844 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -6.200 -0.406 13.955 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -6.016 -1.422 15.389 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.548 -0.870 15.676 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.961 -1.683 16.356 1.00 0.00 H new ATOM 402 N ILE A 90 -1.633 0.778 8.325 1.00 0.00 N ATOM 403 CA ILE A 90 -1.035 -0.411 7.741 1.00 0.00 C ATOM 404 C ILE A 90 -1.173 -1.623 8.648 1.00 0.00 C ATOM 405 O ILE A 90 -0.552 -1.707 9.707 1.00 0.00 O ATOM 406 CB ILE A 90 0.455 -0.189 7.401 1.00 0.00 C ATOM 407 CG1 ILE A 90 0.631 1.101 6.601 1.00 0.00 C ATOM 408 CG2 ILE A 90 1.007 -1.365 6.618 1.00 0.00 C ATOM 409 CD1 ILE A 90 -0.050 1.076 5.249 1.00 0.00 C ATOM 0 H ILE A 90 -0.986 1.557 8.446 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.583 -0.606 6.819 1.00 0.00 H new ATOM 0 HB ILE A 90 1.009 -0.104 8.336 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.236 1.935 7.181 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.695 1.287 6.458 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.058 -1.188 6.389 1.00 0.00 H new ATOM 0 HG22 ILE A 90 0.913 -2.274 7.212 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.447 -1.479 5.690 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.118 2.025 4.739 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.361 0.264 4.649 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.121 0.921 5.384 1.00 0.00 H new ATOM 421 N LEU A 91 -1.981 -2.569 8.193 1.00 0.00 N ATOM 422 CA LEU A 91 -2.209 -3.807 8.915 1.00 0.00 C ATOM 423 C LEU A 91 -1.038 -4.737 8.666 1.00 0.00 C ATOM 424 O LEU A 91 -0.465 -5.316 9.588 1.00 0.00 O ATOM 425 CB LEU A 91 -3.510 -4.441 8.426 1.00 0.00 C ATOM 426 CG LEU A 91 -4.679 -3.460 8.301 1.00 0.00 C ATOM 427 CD1 LEU A 91 -5.916 -4.142 7.740 1.00 0.00 C ATOM 428 CD2 LEU A 91 -4.982 -2.815 9.647 1.00 0.00 C ATOM 0 H LEU A 91 -2.495 -2.498 7.315 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.294 -3.616 9.985 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.333 -4.903 7.455 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.792 -5.239 9.112 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.386 -2.678 7.601 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.728 -3.418 7.664 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.693 -4.543 6.751 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.215 -4.954 8.402 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.815 -2.121 9.539 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.245 -3.587 10.370 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.103 -2.274 9.997 1.00 0.00 H new ATOM 440 N GLU A 92 -0.672 -4.834 7.398 1.00 0.00 N ATOM 441 CA GLU A 92 0.454 -5.643 6.972 1.00 0.00 C ATOM 442 C GLU A 92 1.164 -4.953 5.816 1.00 0.00 C ATOM 443 O GLU A 92 0.554 -4.175 5.085 1.00 0.00 O ATOM 444 CB GLU A 92 0.003 -7.045 6.572 1.00 0.00 C ATOM 445 CG GLU A 92 0.558 -8.118 7.488 1.00 0.00 C ATOM 446 CD GLU A 92 -0.525 -8.851 8.257 1.00 0.00 C ATOM 447 OE1 GLU A 92 -1.623 -8.280 8.426 1.00 0.00 O ATOM 448 OE2 GLU A 92 -0.274 -9.996 8.689 1.00 0.00 O ATOM 0 H GLU A 92 -1.149 -4.353 6.636 1.00 0.00 H new ATOM 0 HA GLU A 92 1.148 -5.749 7.806 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.086 -7.090 6.584 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.319 -7.247 5.549 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.127 -8.836 6.897 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.254 -7.663 8.193 1.00 0.00 H new ATOM 455 N GLN A 93 2.456 -5.208 5.671 1.00 0.00 N ATOM 456 CA GLN A 93 3.225 -4.567 4.614 1.00 0.00 C ATOM 457 C GLN A 93 4.163 -5.544 3.923 1.00 0.00 C ATOM 458 O GLN A 93 5.273 -5.183 3.530 1.00 0.00 O ATOM 459 CB GLN A 93 4.008 -3.391 5.186 1.00 0.00 C ATOM 460 CG GLN A 93 4.321 -3.558 6.646 1.00 0.00 C ATOM 461 CD GLN A 93 4.998 -2.344 7.253 1.00 0.00 C ATOM 462 OE1 GLN A 93 4.538 -1.799 8.256 1.00 0.00 O ATOM 463 NE2 GLN A 93 6.097 -1.914 6.646 1.00 0.00 N ATOM 0 H GLN A 93 2.989 -5.845 6.263 1.00 0.00 H new ATOM 0 HA GLN A 93 2.524 -4.205 3.862 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.938 -3.275 4.630 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.435 -2.475 5.044 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.397 -3.760 7.188 1.00 0.00 H new ATOM 0 HG3 GLN A 93 4.964 -4.428 6.776 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.443 -2.396 5.817 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.595 -1.101 7.009 1.00 0.00 H new ATOM 472 N SER A 94 3.706 -6.776 3.760 1.00 0.00 N ATOM 473 CA SER A 94 4.500 -7.795 3.096 1.00 0.00 C ATOM 474 C SER A 94 4.302 -7.715 1.590 1.00 0.00 C ATOM 475 O SER A 94 3.173 -7.655 1.103 1.00 0.00 O ATOM 476 CB SER A 94 4.125 -9.183 3.615 1.00 0.00 C ATOM 477 OG SER A 94 3.839 -10.081 2.554 1.00 0.00 O ATOM 0 H SER A 94 2.790 -7.093 4.078 1.00 0.00 H new ATOM 0 HA SER A 94 5.553 -7.619 3.317 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.943 -9.580 4.217 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.257 -9.104 4.269 1.00 0.00 H new ATOM 0 HG SER A 94 3.605 -10.958 2.922 1.00 0.00 H new ATOM 483 N GLY A 95 5.405 -7.713 0.858 1.00 0.00 N ATOM 484 CA GLY A 95 5.328 -7.637 -0.588 1.00 0.00 C ATOM 485 C GLY A 95 4.999 -6.255 -1.090 1.00 0.00 C ATOM 486 O GLY A 95 4.550 -5.391 -0.336 1.00 0.00 O ATOM 0 H GLY A 95 6.351 -7.762 1.237 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.280 -7.955 -1.014 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.571 -8.336 -0.943 1.00 0.00 H new ATOM 490 N GLU A 96 5.224 -6.057 -2.380 1.00 0.00 N ATOM 491 CA GLU A 96 4.960 -4.787 -3.036 1.00 0.00 C ATOM 492 C GLU A 96 3.571 -4.242 -2.678 1.00 0.00 C ATOM 493 O GLU A 96 3.315 -3.049 -2.816 1.00 0.00 O ATOM 494 CB GLU A 96 5.097 -4.968 -4.542 1.00 0.00 C ATOM 495 CG GLU A 96 4.095 -4.168 -5.318 1.00 0.00 C ATOM 496 CD GLU A 96 4.330 -4.207 -6.815 1.00 0.00 C ATOM 497 OE1 GLU A 96 5.421 -3.788 -7.255 1.00 0.00 O ATOM 498 OE2 GLU A 96 3.423 -4.655 -7.547 1.00 0.00 O ATOM 0 H GLU A 96 5.596 -6.775 -3.002 1.00 0.00 H new ATOM 0 HA GLU A 96 5.688 -4.055 -2.687 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.102 -4.678 -4.848 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.981 -6.023 -4.788 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.095 -4.545 -5.104 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.125 -3.133 -4.979 1.00 0.00 H new ATOM 505 N TRP A 97 2.677 -5.115 -2.230 1.00 0.00 N ATOM 506 CA TRP A 97 1.330 -4.698 -1.866 1.00 0.00 C ATOM 507 C TRP A 97 1.121 -4.791 -0.356 1.00 0.00 C ATOM 508 O TRP A 97 1.196 -5.873 0.226 1.00 0.00 O ATOM 509 CB TRP A 97 0.303 -5.552 -2.603 1.00 0.00 C ATOM 510 CG TRP A 97 0.147 -5.153 -4.038 1.00 0.00 C ATOM 511 CD1 TRP A 97 0.875 -5.606 -5.100 1.00 0.00 C ATOM 512 CD2 TRP A 97 -0.787 -4.205 -4.566 1.00 0.00 C ATOM 513 NE1 TRP A 97 0.454 -4.993 -6.256 1.00 0.00 N ATOM 514 CE2 TRP A 97 -0.565 -4.129 -5.953 1.00 0.00 C ATOM 515 CE3 TRP A 97 -1.787 -3.413 -3.998 1.00 0.00 C ATOM 516 CZ2 TRP A 97 -1.307 -3.289 -6.779 1.00 0.00 C ATOM 517 CZ3 TRP A 97 -2.523 -2.582 -4.818 1.00 0.00 C ATOM 518 CH2 TRP A 97 -2.279 -2.524 -6.196 1.00 0.00 C ATOM 0 H TRP A 97 2.860 -6.111 -2.111 1.00 0.00 H new ATOM 0 HA TRP A 97 1.198 -3.657 -2.160 1.00 0.00 H new ATOM 0 HB2 TRP A 97 0.602 -6.599 -2.551 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.661 -5.470 -2.100 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.666 -6.339 -5.041 1.00 0.00 H new ATOM 0 HE1 TRP A 97 0.838 -5.155 -7.187 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -1.981 -3.450 -2.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -1.122 -3.243 -7.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -3.300 -1.966 -4.390 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -2.871 -1.862 -6.811 1.00 0.00 H new ATOM 529 N TRP A 98 0.873 -3.645 0.274 1.00 0.00 N ATOM 530 CA TRP A 98 0.672 -3.590 1.716 1.00 0.00 C ATOM 531 C TRP A 98 -0.803 -3.539 2.087 1.00 0.00 C ATOM 532 O TRP A 98 -1.609 -2.910 1.402 1.00 0.00 O ATOM 533 CB TRP A 98 1.373 -2.371 2.305 1.00 0.00 C ATOM 534 CG TRP A 98 2.864 -2.455 2.248 1.00 0.00 C ATOM 535 CD1 TRP A 98 3.613 -3.470 1.732 1.00 0.00 C ATOM 536 CD2 TRP A 98 3.785 -1.482 2.734 1.00 0.00 C ATOM 537 NE1 TRP A 98 4.950 -3.189 1.873 1.00 0.00 N ATOM 538 CE2 TRP A 98 5.081 -1.966 2.484 1.00 0.00 C ATOM 539 CE3 TRP A 98 3.630 -0.247 3.355 1.00 0.00 C ATOM 540 CZ2 TRP A 98 6.221 -1.249 2.839 1.00 0.00 C ATOM 541 CZ3 TRP A 98 4.759 0.468 3.708 1.00 0.00 C ATOM 542 CH2 TRP A 98 6.041 -0.035 3.447 1.00 0.00 C ATOM 0 H TRP A 98 0.807 -2.741 -0.195 1.00 0.00 H new ATOM 0 HA TRP A 98 1.099 -4.504 2.129 1.00 0.00 H new ATOM 0 HB2 TRP A 98 1.047 -1.480 1.769 1.00 0.00 H new ATOM 0 HB3 TRP A 98 1.063 -2.250 3.343 1.00 0.00 H new ATOM 0 HD1 TRP A 98 3.213 -4.365 1.278 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.718 -3.789 1.574 1.00 0.00 H new ATOM 0 HE3 TRP A 98 2.645 0.146 3.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 7.210 -1.636 2.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 4.652 1.428 4.192 1.00 0.00 H new ATOM 0 HH2 TRP A 98 6.905 0.547 3.731 1.00 0.00 H new ATOM 553 N LYS A 99 -1.137 -4.182 3.198 1.00 0.00 N ATOM 554 CA LYS A 99 -2.500 -4.194 3.700 1.00 0.00 C ATOM 555 C LYS A 99 -2.701 -3.015 4.641 1.00 0.00 C ATOM 556 O LYS A 99 -2.070 -2.943 5.694 1.00 0.00 O ATOM 557 CB LYS A 99 -2.784 -5.504 4.443 1.00 0.00 C ATOM 558 CG LYS A 99 -4.157 -5.562 5.095 1.00 0.00 C ATOM 559 CD LYS A 99 -5.199 -4.867 4.252 1.00 0.00 C ATOM 560 CE LYS A 99 -6.603 -5.313 4.624 1.00 0.00 C ATOM 561 NZ LYS A 99 -7.289 -5.997 3.495 1.00 0.00 N ATOM 0 H LYS A 99 -0.475 -4.705 3.771 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.189 -4.114 2.859 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.691 -6.334 3.743 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.023 -5.647 5.210 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.445 -6.602 5.247 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.114 -5.096 6.079 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.113 -3.788 4.381 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.016 -5.078 3.198 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.554 -5.986 5.480 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.189 -4.447 4.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.231 -5.579 3.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.728 -5.881 2.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.388 -7.010 3.711 1.00 0.00 H new ATOM 575 N ALA A 100 -3.570 -2.087 4.262 1.00 0.00 N ATOM 576 CA ALA A 100 -3.821 -0.916 5.091 1.00 0.00 C ATOM 577 C ALA A 100 -5.279 -0.812 5.483 1.00 0.00 C ATOM 578 O ALA A 100 -6.173 -1.098 4.688 1.00 0.00 O ATOM 579 CB ALA A 100 -3.399 0.357 4.372 1.00 0.00 C ATOM 0 H ALA A 100 -4.107 -2.121 3.396 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.226 -1.033 5.997 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.596 1.218 5.011 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -2.334 0.310 4.144 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -3.964 0.456 3.445 1.00 0.00 H new ATOM 585 N GLN A 101 -5.514 -0.360 6.705 1.00 0.00 N ATOM 586 CA GLN A 101 -6.864 -0.170 7.185 1.00 0.00 C ATOM 587 C GLN A 101 -7.130 1.316 7.269 1.00 0.00 C ATOM 588 O GLN A 101 -6.555 2.014 8.102 1.00 0.00 O ATOM 589 CB GLN A 101 -7.077 -0.828 8.548 1.00 0.00 C ATOM 590 CG GLN A 101 -8.413 -0.490 9.170 1.00 0.00 C ATOM 591 CD GLN A 101 -8.474 -0.816 10.649 1.00 0.00 C ATOM 592 OE1 GLN A 101 -8.948 -1.882 11.042 1.00 0.00 O ATOM 593 NE2 GLN A 101 -7.995 0.103 11.477 1.00 0.00 N ATOM 0 H GLN A 101 -4.786 -0.120 7.377 1.00 0.00 H new ATOM 0 HA GLN A 101 -7.560 -0.644 6.493 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -6.998 -1.910 8.439 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -6.280 -0.517 9.223 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -8.616 0.572 9.028 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.199 -1.037 8.650 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -7.611 0.973 11.107 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -8.010 -0.060 12.484 1.00 0.00 H new ATOM 602 N SER A 102 -7.998 1.796 6.401 1.00 0.00 N ATOM 603 CA SER A 102 -8.334 3.198 6.371 1.00 0.00 C ATOM 604 C SER A 102 -8.683 3.683 7.770 1.00 0.00 C ATOM 605 O SER A 102 -8.850 2.880 8.687 1.00 0.00 O ATOM 606 CB SER A 102 -9.491 3.408 5.408 1.00 0.00 C ATOM 607 OG SER A 102 -9.076 4.106 4.247 1.00 0.00 O ATOM 0 H SER A 102 -8.483 1.229 5.705 1.00 0.00 H new ATOM 0 HA SER A 102 -7.479 3.779 6.025 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.910 2.443 5.124 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.284 3.966 5.906 1.00 0.00 H new ATOM 0 HG SER A 102 -9.841 4.225 3.646 1.00 0.00 H new ATOM 613 N LEU A 103 -8.762 4.988 7.944 1.00 0.00 N ATOM 614 CA LEU A 103 -9.068 5.545 9.254 1.00 0.00 C ATOM 615 C LEU A 103 -10.263 6.483 9.211 1.00 0.00 C ATOM 616 O LEU A 103 -10.945 6.678 10.216 1.00 0.00 O ATOM 617 CB LEU A 103 -7.838 6.237 9.809 1.00 0.00 C ATOM 618 CG LEU A 103 -6.763 5.262 10.284 1.00 0.00 C ATOM 619 CD1 LEU A 103 -5.715 5.081 9.205 1.00 0.00 C ATOM 620 CD2 LEU A 103 -6.123 5.715 11.586 1.00 0.00 C ATOM 0 H LEU A 103 -8.621 5.678 7.206 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.346 4.727 9.919 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.417 6.887 9.042 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.133 6.876 10.641 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.243 4.303 10.480 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.952 4.384 9.552 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.185 4.686 8.304 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.253 6.043 8.981 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -5.364 4.994 11.889 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.659 6.691 11.443 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.886 5.786 12.361 1.00 0.00 H new ATOM 632 N THR A 104 -10.534 7.035 8.041 1.00 0.00 N ATOM 633 CA THR A 104 -11.667 7.917 7.868 1.00 0.00 C ATOM 634 C THR A 104 -12.914 7.078 7.638 1.00 0.00 C ATOM 635 O THR A 104 -13.993 7.359 8.160 1.00 0.00 O ATOM 636 CB THR A 104 -11.425 8.833 6.679 1.00 0.00 C ATOM 637 OG1 THR A 104 -10.060 9.205 6.598 1.00 0.00 O ATOM 638 CG2 THR A 104 -12.240 10.089 6.746 1.00 0.00 C ATOM 0 H THR A 104 -9.981 6.885 7.197 1.00 0.00 H new ATOM 0 HA THR A 104 -11.801 8.530 8.760 1.00 0.00 H new ATOM 0 HB THR A 104 -11.723 8.263 5.799 1.00 0.00 H new ATOM 0 HG1 THR A 104 -9.719 9.005 5.701 1.00 0.00 H new ATOM 0 HG21 THR A 104 -12.029 10.707 5.873 1.00 0.00 H new ATOM 0 HG22 THR A 104 -13.300 9.835 6.763 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.985 10.640 7.651 1.00 0.00 H new ATOM 646 N THR A 105 -12.722 6.033 6.851 1.00 0.00 N ATOM 647 CA THR A 105 -13.767 5.085 6.505 1.00 0.00 C ATOM 648 C THR A 105 -13.497 3.759 7.200 1.00 0.00 C ATOM 649 O THR A 105 -14.403 3.042 7.621 1.00 0.00 O ATOM 650 CB THR A 105 -13.749 4.871 4.999 1.00 0.00 C ATOM 651 OG1 THR A 105 -12.922 3.772 4.654 1.00 0.00 O ATOM 652 CG2 THR A 105 -13.252 6.070 4.225 1.00 0.00 C ATOM 0 H THR A 105 -11.820 5.816 6.427 1.00 0.00 H new ATOM 0 HA THR A 105 -14.737 5.469 6.820 1.00 0.00 H new ATOM 0 HB THR A 105 -14.789 4.687 4.728 1.00 0.00 H new ATOM 0 HG1 THR A 105 -12.986 3.604 3.691 1.00 0.00 H new ATOM 0 HG21 THR A 105 -13.266 5.846 3.158 1.00 0.00 H new ATOM 0 HG22 THR A 105 -13.898 6.925 4.425 1.00 0.00 H new ATOM 0 HG23 THR A 105 -12.233 6.305 4.533 1.00 0.00 H new ATOM 660 N GLY A 106 -12.213 3.471 7.290 1.00 0.00 N ATOM 661 CA GLY A 106 -11.715 2.270 7.898 1.00 0.00 C ATOM 662 C GLY A 106 -11.753 1.074 6.975 1.00 0.00 C ATOM 663 O GLY A 106 -11.316 -0.014 7.347 1.00 0.00 O ATOM 0 H GLY A 106 -11.479 4.083 6.933 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -10.689 2.435 8.226 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -12.303 2.051 8.789 1.00 0.00 H new ATOM 667 N GLN A 107 -12.259 1.269 5.762 1.00 0.00 N ATOM 668 CA GLN A 107 -12.325 0.205 4.793 1.00 0.00 C ATOM 669 C GLN A 107 -10.988 -0.500 4.663 1.00 0.00 C ATOM 670 O GLN A 107 -9.963 0.121 4.378 1.00 0.00 O ATOM 671 CB GLN A 107 -12.777 0.771 3.469 1.00 0.00 C ATOM 672 CG GLN A 107 -14.279 0.826 3.374 1.00 0.00 C ATOM 673 CD GLN A 107 -14.841 2.219 3.580 1.00 0.00 C ATOM 674 OE1 GLN A 107 -14.498 3.152 2.854 1.00 0.00 O ATOM 675 NE2 GLN A 107 -15.710 2.364 4.573 1.00 0.00 N ATOM 0 H GLN A 107 -12.628 2.162 5.435 1.00 0.00 H new ATOM 0 HA GLN A 107 -13.046 -0.541 5.127 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.367 1.773 3.342 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -12.383 0.160 2.657 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -14.588 0.458 2.396 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -14.708 0.155 4.118 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -15.965 1.562 5.149 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -16.123 3.278 4.760 1.00 0.00 H new ATOM 684 N GLU A 108 -11.007 -1.801 4.899 1.00 0.00 N ATOM 685 CA GLU A 108 -9.794 -2.603 4.836 1.00 0.00 C ATOM 686 C GLU A 108 -9.549 -3.137 3.431 1.00 0.00 C ATOM 687 O GLU A 108 -10.486 -3.462 2.702 1.00 0.00 O ATOM 688 CB GLU A 108 -9.872 -3.757 5.832 1.00 0.00 C ATOM 689 CG GLU A 108 -10.048 -3.304 7.268 1.00 0.00 C ATOM 690 CD GLU A 108 -11.218 -3.979 7.957 1.00 0.00 C ATOM 691 OE1 GLU A 108 -11.305 -5.223 7.898 1.00 0.00 O ATOM 692 OE2 GLU A 108 -12.048 -3.262 8.556 1.00 0.00 O ATOM 0 H GLU A 108 -11.849 -2.326 5.136 1.00 0.00 H new ATOM 0 HA GLU A 108 -8.955 -1.959 5.099 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.704 -4.406 5.559 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -8.963 -4.354 5.756 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -9.134 -3.513 7.825 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -10.194 -2.224 7.288 1.00 0.00 H new ATOM 699 N GLY A 109 -8.276 -3.226 3.061 1.00 0.00 N ATOM 700 CA GLY A 109 -7.912 -3.721 1.749 1.00 0.00 C ATOM 701 C GLY A 109 -6.429 -3.581 1.474 1.00 0.00 C ATOM 702 O GLY A 109 -5.682 -3.058 2.300 1.00 0.00 O ATOM 0 H GLY A 109 -7.487 -2.962 3.651 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.197 -4.770 1.667 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.473 -3.177 0.989 1.00 0.00 H new ATOM 706 N PHE A 110 -6.003 -4.050 0.309 1.00 0.00 N ATOM 707 CA PHE A 110 -4.607 -3.984 -0.084 1.00 0.00 C ATOM 708 C PHE A 110 -4.302 -2.645 -0.742 1.00 0.00 C ATOM 709 O PHE A 110 -5.189 -2.005 -1.300 1.00 0.00 O ATOM 710 CB PHE A 110 -4.296 -5.130 -1.040 1.00 0.00 C ATOM 711 CG PHE A 110 -3.724 -6.340 -0.359 1.00 0.00 C ATOM 712 CD1 PHE A 110 -4.279 -6.815 0.820 1.00 0.00 C ATOM 713 CD2 PHE A 110 -2.633 -7.004 -0.895 1.00 0.00 C ATOM 714 CE1 PHE A 110 -3.756 -7.928 1.449 1.00 0.00 C ATOM 715 CE2 PHE A 110 -2.105 -8.117 -0.270 1.00 0.00 C ATOM 716 CZ PHE A 110 -2.668 -8.581 0.904 1.00 0.00 C ATOM 0 H PHE A 110 -6.613 -4.484 -0.384 1.00 0.00 H new ATOM 0 HA PHE A 110 -3.980 -4.076 0.803 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -5.209 -5.415 -1.562 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -3.592 -4.781 -1.796 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -5.130 -6.309 1.251 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -2.190 -6.647 -1.813 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.198 -8.287 2.367 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -1.253 -8.624 -0.698 1.00 0.00 H new ATOM 0 HZ PHE A 110 -2.258 -9.452 1.394 1.00 0.00 H new ATOM 726 N ILE A 111 -3.049 -2.215 -0.669 1.00 0.00 N ATOM 727 CA ILE A 111 -2.663 -0.940 -1.256 1.00 0.00 C ATOM 728 C ILE A 111 -1.215 -0.947 -1.745 1.00 0.00 C ATOM 729 O ILE A 111 -0.332 -1.539 -1.124 1.00 0.00 O ATOM 730 CB ILE A 111 -2.837 0.212 -0.246 1.00 0.00 C ATOM 731 CG1 ILE A 111 -1.902 0.005 0.946 1.00 0.00 C ATOM 732 CG2 ILE A 111 -4.286 0.309 0.210 1.00 0.00 C ATOM 733 CD1 ILE A 111 -1.371 1.289 1.543 1.00 0.00 C ATOM 0 H ILE A 111 -2.291 -2.724 -0.215 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.322 -0.786 -2.110 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.576 1.152 -0.733 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.433 -0.550 1.719 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -1.061 -0.612 0.631 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.389 1.128 0.922 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.927 0.495 -0.652 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.581 -0.626 0.686 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.716 1.056 2.383 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.810 1.837 0.786 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -2.204 1.900 1.891 1.00 0.00 H new ATOM 745 N PRO A 112 -0.965 -0.261 -2.865 1.00 0.00 N ATOM 746 CA PRO A 112 0.365 -0.145 -3.452 1.00 0.00 C ATOM 747 C PRO A 112 1.386 0.339 -2.422 1.00 0.00 C ATOM 748 O PRO A 112 1.323 1.479 -1.961 1.00 0.00 O ATOM 749 CB PRO A 112 0.192 0.891 -4.576 1.00 0.00 C ATOM 750 CG PRO A 112 -1.176 1.466 -4.400 1.00 0.00 C ATOM 751 CD PRO A 112 -1.970 0.464 -3.629 1.00 0.00 C ATOM 0 HA PRO A 112 0.740 -1.102 -3.815 1.00 0.00 H new ATOM 0 HB2 PRO A 112 0.953 1.668 -4.511 1.00 0.00 H new ATOM 0 HB3 PRO A 112 0.296 0.425 -5.556 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -1.130 2.416 -3.867 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.639 1.665 -5.367 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -2.698 0.947 -2.976 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -2.526 -0.200 -4.290 1.00 0.00 H new ATOM 759 N PHE A 113 2.313 -0.539 -2.050 1.00 0.00 N ATOM 760 CA PHE A 113 3.334 -0.206 -1.055 1.00 0.00 C ATOM 761 C PHE A 113 4.077 1.086 -1.406 1.00 0.00 C ATOM 762 O PHE A 113 4.644 1.736 -0.528 1.00 0.00 O ATOM 763 CB PHE A 113 4.323 -1.368 -0.897 1.00 0.00 C ATOM 764 CG PHE A 113 5.410 -1.403 -1.940 1.00 0.00 C ATOM 765 CD1 PHE A 113 5.122 -1.164 -3.274 1.00 0.00 C ATOM 766 CD2 PHE A 113 6.721 -1.670 -1.579 1.00 0.00 C ATOM 767 CE1 PHE A 113 6.121 -1.192 -4.230 1.00 0.00 C ATOM 768 CE2 PHE A 113 7.724 -1.700 -2.530 1.00 0.00 C ATOM 769 CZ PHE A 113 7.423 -1.460 -3.857 1.00 0.00 C ATOM 0 H PHE A 113 2.380 -1.487 -2.421 1.00 0.00 H new ATOM 0 HA PHE A 113 2.825 -0.040 -0.106 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.784 -1.306 0.089 1.00 0.00 H new ATOM 0 HB3 PHE A 113 3.771 -2.307 -0.933 1.00 0.00 H new ATOM 0 HD1 PHE A 113 4.105 -0.953 -3.571 1.00 0.00 H new ATOM 0 HD2 PHE A 113 6.962 -1.857 -0.543 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.883 -1.005 -5.267 1.00 0.00 H new ATOM 0 HE2 PHE A 113 8.742 -1.911 -2.236 1.00 0.00 H new ATOM 0 HZ PHE A 113 8.205 -1.482 -4.601 1.00 0.00 H new ATOM 779 N ASN A 114 4.075 1.451 -2.684 1.00 0.00 N ATOM 780 CA ASN A 114 4.754 2.663 -3.127 1.00 0.00 C ATOM 781 C ASN A 114 3.762 3.795 -3.375 1.00 0.00 C ATOM 782 O ASN A 114 3.965 4.629 -4.256 1.00 0.00 O ATOM 783 CB ASN A 114 5.560 2.385 -4.385 1.00 0.00 C ATOM 784 CG ASN A 114 7.045 2.625 -4.191 1.00 0.00 C ATOM 785 OD1 ASN A 114 7.629 2.201 -3.194 1.00 0.00 O ATOM 786 ND2 ASN A 114 7.664 3.309 -5.145 1.00 0.00 N ATOM 0 H ASN A 114 3.613 0.928 -3.428 1.00 0.00 H new ATOM 0 HA ASN A 114 5.431 2.978 -2.333 1.00 0.00 H new ATOM 0 HB2 ASN A 114 5.400 1.352 -4.694 1.00 0.00 H new ATOM 0 HB3 ASN A 114 5.196 3.019 -5.193 1.00 0.00 H new ATOM 0 HD21 ASN A 114 8.663 3.502 -5.068 1.00 0.00 H new ATOM 0 HD22 ASN A 114 7.141 3.642 -5.955 1.00 0.00 H new ATOM 793 N PHE A 115 2.683 3.809 -2.600 1.00 0.00 N ATOM 794 CA PHE A 115 1.653 4.832 -2.743 1.00 0.00 C ATOM 795 C PHE A 115 1.470 5.646 -1.465 1.00 0.00 C ATOM 796 O PHE A 115 0.826 6.695 -1.483 1.00 0.00 O ATOM 797 CB PHE A 115 0.321 4.179 -3.103 1.00 0.00 C ATOM 798 CG PHE A 115 -0.290 4.706 -4.365 1.00 0.00 C ATOM 799 CD1 PHE A 115 0.471 4.871 -5.509 1.00 0.00 C ATOM 800 CD2 PHE A 115 -1.630 5.039 -4.401 1.00 0.00 C ATOM 801 CE1 PHE A 115 -0.098 5.358 -6.670 1.00 0.00 C ATOM 802 CE2 PHE A 115 -2.205 5.526 -5.553 1.00 0.00 C ATOM 803 CZ PHE A 115 -1.440 5.687 -6.692 1.00 0.00 C ATOM 0 H PHE A 115 2.499 3.124 -1.867 1.00 0.00 H new ATOM 0 HA PHE A 115 1.977 5.507 -3.535 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.470 3.104 -3.204 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.380 4.328 -2.281 1.00 0.00 H new ATOM 0 HD1 PHE A 115 1.520 4.616 -5.494 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -2.234 4.916 -3.514 1.00 0.00 H new ATOM 0 HE1 PHE A 115 0.504 5.481 -7.558 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.254 5.782 -5.566 1.00 0.00 H new ATOM 0 HZ PHE A 115 -1.889 6.069 -7.597 1.00 0.00 H new ATOM 813 N VAL A 116 1.999 5.151 -0.350 1.00 0.00 N ATOM 814 CA VAL A 116 1.835 5.842 0.922 1.00 0.00 C ATOM 815 C VAL A 116 3.157 6.146 1.617 1.00 0.00 C ATOM 816 O VAL A 116 4.140 5.418 1.472 1.00 0.00 O ATOM 817 CB VAL A 116 0.954 5.024 1.882 1.00 0.00 C ATOM 818 CG1 VAL A 116 -0.472 4.962 1.364 1.00 0.00 C ATOM 819 CG2 VAL A 116 1.521 3.623 2.084 1.00 0.00 C ATOM 0 H VAL A 116 2.537 4.286 -0.302 1.00 0.00 H new ATOM 0 HA VAL A 116 1.356 6.790 0.679 1.00 0.00 H new ATOM 0 HB VAL A 116 0.948 5.522 2.851 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.084 4.380 2.053 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -0.875 5.972 1.285 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -0.482 4.489 0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 116 0.879 3.066 2.767 1.00 0.00 H new ATOM 0 HG22 VAL A 116 1.565 3.107 1.125 1.00 0.00 H new ATOM 0 HG23 VAL A 116 2.524 3.694 2.505 1.00 0.00 H new ATOM 829 N ALA A 117 3.148 7.225 2.393 1.00 0.00 N ATOM 830 CA ALA A 117 4.310 7.656 3.154 1.00 0.00 C ATOM 831 C ALA A 117 3.875 8.085 4.552 1.00 0.00 C ATOM 832 O ALA A 117 2.803 8.664 4.719 1.00 0.00 O ATOM 833 CB ALA A 117 5.025 8.794 2.441 1.00 0.00 C ATOM 0 H ALA A 117 2.332 7.825 2.511 1.00 0.00 H new ATOM 0 HA ALA A 117 5.008 6.823 3.240 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.891 9.103 3.026 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.352 8.458 1.457 1.00 0.00 H new ATOM 0 HB3 ALA A 117 4.344 9.638 2.329 1.00 0.00 H new ATOM 839 N LYS A 118 4.699 7.786 5.552 1.00 0.00 N ATOM 840 CA LYS A 118 4.384 8.128 6.941 1.00 0.00 C ATOM 841 C LYS A 118 3.733 9.503 7.061 1.00 0.00 C ATOM 842 O LYS A 118 4.147 10.455 6.400 1.00 0.00 O ATOM 843 CB LYS A 118 5.656 8.088 7.792 1.00 0.00 C ATOM 844 CG LYS A 118 6.276 6.704 7.901 1.00 0.00 C ATOM 845 CD LYS A 118 5.227 5.653 8.220 1.00 0.00 C ATOM 846 CE LYS A 118 5.843 4.269 8.361 1.00 0.00 C ATOM 847 NZ LYS A 118 5.773 3.770 9.762 1.00 0.00 N ATOM 0 H LYS A 118 5.591 7.307 5.429 1.00 0.00 H new ATOM 0 HA LYS A 118 3.670 7.388 7.303 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.389 8.772 7.365 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.424 8.452 8.793 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.774 6.451 6.965 1.00 0.00 H new ATOM 0 HG3 LYS A 118 7.040 6.706 8.678 1.00 0.00 H new ATOM 0 HD2 LYS A 118 4.714 5.919 9.144 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.475 5.638 7.431 1.00 0.00 H new ATOM 0 HE2 LYS A 118 5.326 3.572 7.701 1.00 0.00 H new ATOM 0 HE3 LYS A 118 6.884 4.300 8.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 6.203 2.825 9.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 6.288 4.421 10.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 4.779 3.716 10.062 1.00 0.00 H new ATOM 861 N ALA A 119 2.710 9.594 7.912 1.00 0.00 N ATOM 862 CA ALA A 119 1.999 10.857 8.129 1.00 0.00 C ATOM 863 C ALA A 119 2.884 11.868 8.853 1.00 0.00 C ATOM 864 O ALA A 119 2.509 12.402 9.898 1.00 0.00 O ATOM 865 CB ALA A 119 0.713 10.631 8.922 1.00 0.00 C ATOM 0 H ALA A 119 2.355 8.811 8.461 1.00 0.00 H new ATOM 0 HA ALA A 119 1.740 11.259 7.150 1.00 0.00 H new ATOM 0 HB1 ALA A 119 0.204 11.584 9.069 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.061 9.953 8.372 1.00 0.00 H new ATOM 0 HB3 ALA A 119 0.955 10.195 9.891 1.00 0.00 H new ATOM 871 N ASN A 120 4.061 12.128 8.295 1.00 0.00 N ATOM 872 CA ASN A 120 4.997 13.075 8.890 1.00 0.00 C ATOM 873 C ASN A 120 5.664 13.927 7.816 1.00 0.00 C ATOM 874 O ASN A 120 6.483 14.798 8.177 1.00 0.00 O ATOM 875 CB ASN A 120 6.057 12.330 9.705 1.00 0.00 C ATOM 876 CG ASN A 120 5.971 12.640 11.186 1.00 0.00 C ATOM 877 OD1 ASN A 120 5.746 13.784 11.581 1.00 0.00 O ATOM 878 ND2 ASN A 120 6.151 11.620 12.016 1.00 0.00 N ATOM 879 OXT ASN A 120 5.363 13.717 6.622 1.00 0.00 O ATOM 0 H ASN A 120 4.390 11.696 7.431 1.00 0.00 H new ATOM 0 HA ASN A 120 4.439 13.735 9.553 1.00 0.00 H new ATOM 0 HB2 ASN A 120 5.940 11.257 9.554 1.00 0.00 H new ATOM 0 HB3 ASN A 120 7.048 12.597 9.338 1.00 0.00 H new ATOM 0 HD21 ASN A 120 6.105 11.769 13.024 1.00 0.00 H new ATOM 0 HD22 ASN A 120 6.335 10.688 11.646 1.00 0.00 H new TER 886 ASN A 120