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 -140:sc= -1.9! USER MOD Set 1.2: A 107 GLN : amide:sc= -4.03! C(o=-5.9!,f=-6!) USER MOD Single : A 64 ASN : amide:sc=-0.00719 X(o=-0.0072,f=-0.4) USER MOD Single : A 70 HIS : no HE2:sc= -5.54! C(o=-5.5!,f=-6.8!) USER MOD Single : A 71 SER OG : rot 180:sc= 0.00898 USER MOD Single : A 72 TYR OH : rot 60:sc= -0.0179! 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= -0.26 X(o=-0.26,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -134:sc= -2.1 (180deg=-6.29!) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= -0.0798 USER MOD Single : A 104 THR OG1 : rot 126:sc= 1 USER MOD Single : A 114 ASN : amide:sc= -2.26 K(o=-2.3,f=-4.1!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= -0.206 K(o=-0.21,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 64 3.010 2.930 12.458 1.00 0.00 N ATOM 2 CA ASN A 64 2.937 2.224 11.182 1.00 0.00 C ATOM 3 C ASN A 64 2.110 3.007 10.176 1.00 0.00 C ATOM 4 O ASN A 64 2.379 2.971 8.976 1.00 0.00 O ATOM 5 CB ASN A 64 2.320 0.832 11.357 1.00 0.00 C ATOM 6 CG ASN A 64 3.209 -0.119 12.126 1.00 0.00 C ATOM 7 OD1 ASN A 64 4.224 0.280 12.697 1.00 0.00 O ATOM 8 ND2 ASN A 64 2.828 -1.389 12.143 1.00 0.00 N ATOM 0 HA ASN A 64 3.957 2.121 10.811 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.366 0.927 11.875 1.00 0.00 H new ATOM 0 HB3 ASN A 64 2.109 0.409 10.375 1.00 0.00 H new ATOM 0 HD21 ASN A 64 3.384 -2.082 12.644 1.00 0.00 H new ATOM 0 HD22 ASN A 64 1.979 -1.673 11.655 1.00 0.00 H new ATOM 15 N LEU A 65 1.086 3.699 10.671 1.00 0.00 N ATOM 16 CA LEU A 65 0.204 4.472 9.811 1.00 0.00 C ATOM 17 C LEU A 65 0.972 5.267 8.774 1.00 0.00 C ATOM 18 O LEU A 65 2.058 5.789 9.028 1.00 0.00 O ATOM 19 CB LEU A 65 -0.681 5.414 10.622 1.00 0.00 C ATOM 20 CG LEU A 65 -1.412 6.469 9.804 1.00 0.00 C ATOM 21 CD1 LEU A 65 -2.307 5.803 8.776 1.00 0.00 C ATOM 22 CD2 LEU A 65 -2.222 7.387 10.706 1.00 0.00 C ATOM 0 H LEU A 65 0.850 3.738 11.663 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.427 3.750 9.292 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.417 4.821 11.164 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.065 5.916 11.368 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.673 7.077 9.283 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.826 6.566 8.196 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.701 5.190 8.109 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.038 5.174 9.283 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.736 8.133 10.099 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.956 6.800 11.258 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.556 7.887 11.409 1.00 0.00 H new ATOM 34 N VAL A 66 0.379 5.335 7.602 1.00 0.00 N ATOM 35 CA VAL A 66 0.956 6.043 6.477 1.00 0.00 C ATOM 36 C VAL A 66 -0.015 7.056 5.885 1.00 0.00 C ATOM 37 O VAL A 66 -1.126 7.238 6.376 1.00 0.00 O ATOM 38 CB VAL A 66 1.349 5.063 5.374 1.00 0.00 C ATOM 39 CG1 VAL A 66 2.659 4.370 5.708 1.00 0.00 C ATOM 40 CG2 VAL A 66 0.243 4.045 5.135 1.00 0.00 C ATOM 0 H VAL A 66 -0.521 4.899 7.400 1.00 0.00 H new ATOM 0 HA VAL A 66 1.834 6.568 6.854 1.00 0.00 H new ATOM 0 HB VAL A 66 1.492 5.629 4.454 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.918 3.677 4.908 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.448 5.115 5.813 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.552 3.821 6.643 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.546 3.358 4.345 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.059 3.485 6.052 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.669 4.562 4.836 1.00 0.00 H new ATOM 50 N ILE A 67 0.417 7.699 4.811 1.00 0.00 N ATOM 51 CA ILE A 67 -0.404 8.679 4.126 1.00 0.00 C ATOM 52 C ILE A 67 -0.164 8.624 2.625 1.00 0.00 C ATOM 53 O ILE A 67 0.970 8.715 2.157 1.00 0.00 O ATOM 54 CB ILE A 67 -0.173 10.113 4.665 1.00 0.00 C ATOM 55 CG1 ILE A 67 -1.389 10.520 5.486 1.00 0.00 C ATOM 56 CG2 ILE A 67 0.070 11.108 3.538 1.00 0.00 C ATOM 57 CD1 ILE A 67 -1.431 11.979 5.884 1.00 0.00 C ATOM 0 H ILE A 67 1.337 7.557 4.395 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.445 8.424 4.325 1.00 0.00 H new ATOM 0 HB ILE A 67 0.722 10.119 5.288 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.288 10.288 4.915 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.419 9.911 6.390 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.227 12.102 3.958 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.952 10.809 2.972 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.796 11.127 2.876 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.333 12.172 6.465 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.554 12.217 6.486 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.437 12.600 4.988 1.00 0.00 H new ATOM 69 N ALA A 68 -1.245 8.465 1.880 1.00 0.00 N ATOM 70 CA ALA A 68 -1.166 8.383 0.428 1.00 0.00 C ATOM 71 C ALA A 68 -0.507 9.621 -0.165 1.00 0.00 C ATOM 72 O ALA A 68 -0.648 10.727 0.357 1.00 0.00 O ATOM 73 CB ALA A 68 -2.546 8.178 -0.171 1.00 0.00 C ATOM 0 H ALA A 68 -2.190 8.390 2.256 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.545 7.523 0.179 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.466 8.119 -1.256 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.975 7.252 0.212 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.189 9.015 0.101 1.00 0.00 H new ATOM 79 N LEU A 69 0.215 9.421 -1.260 1.00 0.00 N ATOM 80 CA LEU A 69 0.904 10.512 -1.934 1.00 0.00 C ATOM 81 C LEU A 69 0.086 11.023 -3.118 1.00 0.00 C ATOM 82 O LEU A 69 0.228 12.174 -3.532 1.00 0.00 O ATOM 83 CB LEU A 69 2.284 10.049 -2.402 1.00 0.00 C ATOM 84 CG LEU A 69 3.304 9.825 -1.280 1.00 0.00 C ATOM 85 CD1 LEU A 69 4.675 9.478 -1.848 1.00 0.00 C ATOM 86 CD2 LEU A 69 3.394 11.055 -0.389 1.00 0.00 C ATOM 0 H LEU A 69 0.338 8.510 -1.701 1.00 0.00 H new ATOM 0 HA LEU A 69 1.026 11.333 -1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.170 9.120 -2.960 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.684 10.789 -3.095 1.00 0.00 H new ATOM 0 HG LEU A 69 2.964 8.982 -0.678 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.379 9.324 -1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.603 8.566 -2.441 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.025 10.295 -2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.123 10.879 0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.705 11.913 -0.984 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.419 11.255 0.054 1.00 0.00 H new ATOM 98 N HIS A 70 -0.776 10.162 -3.656 1.00 0.00 N ATOM 99 CA HIS A 70 -1.621 10.532 -4.787 1.00 0.00 C ATOM 100 C HIS A 70 -2.979 9.843 -4.702 1.00 0.00 C ATOM 101 O HIS A 70 -3.262 9.123 -3.745 1.00 0.00 O ATOM 102 CB HIS A 70 -0.944 10.179 -6.116 1.00 0.00 C ATOM 103 CG HIS A 70 0.010 9.026 -6.038 1.00 0.00 C ATOM 104 ND1 HIS A 70 -0.201 7.830 -6.689 1.00 0.00 N ATOM 105 CD2 HIS A 70 1.188 8.896 -5.388 1.00 0.00 C ATOM 106 CE1 HIS A 70 0.806 7.012 -6.440 1.00 0.00 C ATOM 107 NE2 HIS A 70 1.662 7.635 -5.652 1.00 0.00 N ATOM 0 H HIS A 70 -0.907 9.205 -3.327 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.771 11.611 -4.745 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.714 9.948 -6.852 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.407 11.055 -6.480 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -1.009 7.611 -7.272 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.667 9.645 -4.775 1.00 0.00 H new ATOM 0 HE1 HIS A 70 0.911 6.005 -6.817 1.00 0.00 H new ATOM 116 N SER A 71 -3.814 10.066 -5.713 1.00 0.00 N ATOM 117 CA SER A 71 -5.139 9.462 -5.755 1.00 0.00 C ATOM 118 C SER A 71 -5.043 8.014 -6.219 1.00 0.00 C ATOM 119 O SER A 71 -4.476 7.727 -7.273 1.00 0.00 O ATOM 120 CB SER A 71 -6.057 10.249 -6.690 1.00 0.00 C ATOM 121 OG SER A 71 -5.633 11.596 -6.810 1.00 0.00 O ATOM 0 H SER A 71 -3.595 10.660 -6.513 1.00 0.00 H new ATOM 0 HA SER A 71 -5.560 9.486 -4.750 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.068 9.779 -7.674 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.079 10.219 -6.311 1.00 0.00 H new ATOM 0 HG SER A 71 -6.236 12.076 -7.415 1.00 0.00 H new ATOM 127 N TYR A 72 -5.584 7.103 -5.421 1.00 0.00 N ATOM 128 CA TYR A 72 -5.536 5.680 -5.757 1.00 0.00 C ATOM 129 C TYR A 72 -6.869 5.158 -6.282 1.00 0.00 C ATOM 130 O TYR A 72 -7.938 5.575 -5.837 1.00 0.00 O ATOM 131 CB TYR A 72 -5.126 4.846 -4.544 1.00 0.00 C ATOM 132 CG TYR A 72 -4.929 3.380 -4.866 1.00 0.00 C ATOM 133 CD1 TYR A 72 -4.191 2.983 -5.974 1.00 0.00 C ATOM 134 CD2 TYR A 72 -5.488 2.395 -4.066 1.00 0.00 C ATOM 135 CE1 TYR A 72 -4.016 1.646 -6.273 1.00 0.00 C ATOM 136 CE2 TYR A 72 -5.318 1.055 -4.357 1.00 0.00 C ATOM 137 CZ TYR A 72 -4.582 0.687 -5.461 1.00 0.00 C ATOM 138 OH TYR A 72 -4.412 -0.646 -5.756 1.00 0.00 O ATOM 0 H TYR A 72 -6.058 7.318 -4.544 1.00 0.00 H new ATOM 0 HA TYR A 72 -4.792 5.582 -6.548 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.201 5.248 -4.131 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.888 4.942 -3.771 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.747 3.732 -6.612 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.067 2.680 -3.200 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.439 1.354 -7.138 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.760 0.301 -3.722 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.456 -0.862 -5.754 1.00 0.00 H new ATOM 148 N GLU A 73 -6.782 4.219 -7.219 1.00 0.00 N ATOM 149 CA GLU A 73 -7.950 3.595 -7.808 1.00 0.00 C ATOM 150 C GLU A 73 -7.748 2.081 -7.895 1.00 0.00 C ATOM 151 O GLU A 73 -7.160 1.574 -8.851 1.00 0.00 O ATOM 152 CB GLU A 73 -8.208 4.171 -9.184 1.00 0.00 C ATOM 153 CG GLU A 73 -9.525 4.911 -9.291 1.00 0.00 C ATOM 154 CD GLU A 73 -9.623 5.755 -10.547 1.00 0.00 C ATOM 155 OE1 GLU A 73 -9.631 5.175 -11.653 1.00 0.00 O ATOM 156 OE2 GLU A 73 -9.690 6.996 -10.424 1.00 0.00 O ATOM 0 H GLU A 73 -5.896 3.873 -7.588 1.00 0.00 H new ATOM 0 HA GLU A 73 -8.816 3.796 -7.177 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.396 4.851 -9.443 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -8.193 3.363 -9.916 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.343 4.191 -9.277 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.649 5.551 -8.418 1.00 0.00 H new ATOM 163 N PRO A 74 -8.226 1.351 -6.880 1.00 0.00 N ATOM 164 CA PRO A 74 -8.114 -0.101 -6.787 1.00 0.00 C ATOM 165 C PRO A 74 -8.263 -0.808 -8.130 1.00 0.00 C ATOM 166 O PRO A 74 -9.175 -0.516 -8.905 1.00 0.00 O ATOM 167 CB PRO A 74 -9.262 -0.488 -5.839 1.00 0.00 C ATOM 168 CG PRO A 74 -9.893 0.798 -5.395 1.00 0.00 C ATOM 169 CD PRO A 74 -8.918 1.890 -5.724 1.00 0.00 C ATOM 0 HA PRO A 74 -7.127 -0.401 -6.435 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.988 -1.122 -6.347 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -8.888 -1.053 -4.985 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -10.843 0.960 -5.905 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.105 0.777 -4.326 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.422 2.829 -5.953 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.235 2.088 -4.898 1.00 0.00 H new ATOM 177 N SER A 75 -7.359 -1.746 -8.390 1.00 0.00 N ATOM 178 CA SER A 75 -7.376 -2.513 -9.630 1.00 0.00 C ATOM 179 C SER A 75 -7.294 -4.009 -9.337 1.00 0.00 C ATOM 180 O SER A 75 -8.016 -4.808 -9.932 1.00 0.00 O ATOM 181 CB SER A 75 -6.215 -2.088 -10.534 1.00 0.00 C ATOM 182 OG SER A 75 -6.692 -1.534 -11.747 1.00 0.00 O ATOM 0 H SER A 75 -6.601 -1.994 -7.754 1.00 0.00 H new ATOM 0 HA SER A 75 -8.315 -2.312 -10.146 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.595 -1.357 -10.015 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.582 -2.949 -10.748 1.00 0.00 H new ATOM 0 HG SER A 75 -5.932 -1.269 -12.306 1.00 0.00 H new ATOM 188 N HIS A 76 -6.413 -4.378 -8.411 1.00 0.00 N ATOM 189 CA HIS A 76 -6.241 -5.776 -8.033 1.00 0.00 C ATOM 190 C HIS A 76 -7.334 -6.211 -7.063 1.00 0.00 C ATOM 191 O HIS A 76 -7.857 -5.402 -6.297 1.00 0.00 O ATOM 192 CB HIS A 76 -4.862 -5.992 -7.401 1.00 0.00 C ATOM 193 CG HIS A 76 -3.809 -6.393 -8.386 1.00 0.00 C ATOM 194 ND1 HIS A 76 -3.042 -5.481 -9.081 1.00 0.00 N ATOM 195 CD2 HIS A 76 -3.395 -7.617 -8.792 1.00 0.00 C ATOM 196 CE1 HIS A 76 -2.204 -6.127 -9.873 1.00 0.00 C ATOM 197 NE2 HIS A 76 -2.397 -7.423 -9.716 1.00 0.00 N ATOM 0 H HIS A 76 -5.808 -3.728 -7.909 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.315 -6.384 -8.935 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -4.551 -5.073 -6.903 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -4.940 -6.760 -6.632 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -3.778 -8.568 -8.453 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -1.483 -5.672 -10.536 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -1.888 -8.161 -10.202 1.00 0.00 H new ATOM 206 N ASP A 77 -7.679 -7.494 -7.102 1.00 0.00 N ATOM 207 CA ASP A 77 -8.713 -8.034 -6.226 1.00 0.00 C ATOM 208 C ASP A 77 -8.312 -7.898 -4.760 1.00 0.00 C ATOM 209 O ASP A 77 -7.169 -8.170 -4.391 1.00 0.00 O ATOM 210 CB ASP A 77 -8.977 -9.503 -6.559 1.00 0.00 C ATOM 211 CG ASP A 77 -7.698 -10.309 -6.673 1.00 0.00 C ATOM 212 OD1 ASP A 77 -7.131 -10.675 -5.621 1.00 0.00 O ATOM 213 OD2 ASP A 77 -7.262 -10.575 -7.812 1.00 0.00 O ATOM 0 H ASP A 77 -7.258 -8.179 -7.730 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.626 -7.461 -6.389 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.611 -9.939 -5.787 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.528 -9.567 -7.497 1.00 0.00 H new ATOM 218 N GLY A 78 -9.259 -7.474 -3.928 1.00 0.00 N ATOM 219 CA GLY A 78 -8.983 -7.311 -2.512 1.00 0.00 C ATOM 220 C GLY A 78 -8.141 -6.085 -2.223 1.00 0.00 C ATOM 221 O GLY A 78 -7.379 -6.066 -1.257 1.00 0.00 O ATOM 0 H GLY A 78 -10.211 -7.241 -4.209 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.924 -7.238 -1.968 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.468 -8.197 -2.141 1.00 0.00 H new ATOM 225 N ASP A 79 -8.279 -5.059 -3.057 1.00 0.00 N ATOM 226 CA ASP A 79 -7.520 -3.829 -2.879 1.00 0.00 C ATOM 227 C ASP A 79 -8.355 -2.769 -2.172 1.00 0.00 C ATOM 228 O ASP A 79 -9.586 -2.819 -2.183 1.00 0.00 O ATOM 229 CB ASP A 79 -7.044 -3.293 -4.228 1.00 0.00 C ATOM 230 CG ASP A 79 -5.936 -4.134 -4.826 1.00 0.00 C ATOM 231 OD1 ASP A 79 -5.969 -5.371 -4.654 1.00 0.00 O ATOM 232 OD2 ASP A 79 -5.034 -3.556 -5.467 1.00 0.00 O ATOM 0 H ASP A 79 -8.908 -5.056 -3.860 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.653 -4.060 -2.260 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -7.885 -3.261 -4.920 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -6.693 -2.269 -4.105 1.00 0.00 H new ATOM 237 N LEU A 80 -7.673 -1.807 -1.566 1.00 0.00 N ATOM 238 CA LEU A 80 -8.337 -0.723 -0.859 1.00 0.00 C ATOM 239 C LEU A 80 -8.026 0.607 -1.538 1.00 0.00 C ATOM 240 O LEU A 80 -6.863 0.973 -1.703 1.00 0.00 O ATOM 241 CB LEU A 80 -7.893 -0.703 0.614 1.00 0.00 C ATOM 242 CG LEU A 80 -7.937 0.660 1.309 1.00 0.00 C ATOM 243 CD1 LEU A 80 -9.336 0.955 1.834 1.00 0.00 C ATOM 244 CD2 LEU A 80 -6.923 0.708 2.440 1.00 0.00 C ATOM 0 H LEU A 80 -6.654 -1.756 -1.551 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.415 -0.882 -0.889 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.524 -1.394 1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.874 -1.085 0.671 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.681 1.426 0.578 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.343 1.929 2.324 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.042 0.961 1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.625 0.186 2.551 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.965 1.683 2.925 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.153 -0.070 3.168 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.923 0.545 2.039 1.00 0.00 H new ATOM 256 N GLY A 81 -9.071 1.328 -1.926 1.00 0.00 N ATOM 257 CA GLY A 81 -8.880 2.608 -2.579 1.00 0.00 C ATOM 258 C GLY A 81 -8.834 3.751 -1.590 1.00 0.00 C ATOM 259 O GLY A 81 -9.552 3.748 -0.591 1.00 0.00 O ATOM 0 H GLY A 81 -10.044 1.050 -1.800 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.953 2.587 -3.152 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.690 2.776 -3.289 1.00 0.00 H new ATOM 263 N PHE A 82 -7.985 4.730 -1.868 1.00 0.00 N ATOM 264 CA PHE A 82 -7.845 5.883 -0.994 1.00 0.00 C ATOM 265 C PHE A 82 -7.597 7.146 -1.800 1.00 0.00 C ATOM 266 O PHE A 82 -7.504 7.105 -3.027 1.00 0.00 O ATOM 267 CB PHE A 82 -6.700 5.670 -0.004 1.00 0.00 C ATOM 268 CG PHE A 82 -5.510 4.965 -0.597 1.00 0.00 C ATOM 269 CD1 PHE A 82 -5.547 3.604 -0.853 1.00 0.00 C ATOM 270 CD2 PHE A 82 -4.355 5.666 -0.896 1.00 0.00 C ATOM 271 CE1 PHE A 82 -4.452 2.960 -1.397 1.00 0.00 C ATOM 272 CE2 PHE A 82 -3.257 5.024 -1.440 1.00 0.00 C ATOM 273 CZ PHE A 82 -3.307 3.670 -1.690 1.00 0.00 C ATOM 0 H PHE A 82 -7.384 4.748 -2.692 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.777 5.998 -0.441 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.382 6.638 0.383 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.068 5.092 0.844 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.440 3.041 -0.625 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.310 6.728 -0.702 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.493 1.899 -1.593 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.362 5.583 -1.668 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.451 3.166 -2.114 1.00 0.00 H new ATOM 283 N GLU A 83 -7.491 8.266 -1.102 1.00 0.00 N ATOM 284 CA GLU A 83 -7.257 9.543 -1.753 1.00 0.00 C ATOM 285 C GLU A 83 -5.837 10.033 -1.494 1.00 0.00 C ATOM 286 O GLU A 83 -5.102 9.449 -0.700 1.00 0.00 O ATOM 287 CB GLU A 83 -8.267 10.568 -1.244 1.00 0.00 C ATOM 288 CG GLU A 83 -9.352 10.901 -2.254 1.00 0.00 C ATOM 289 CD GLU A 83 -9.594 12.392 -2.382 1.00 0.00 C ATOM 290 OE1 GLU A 83 -10.014 13.013 -1.384 1.00 0.00 O ATOM 291 OE2 GLU A 83 -9.363 12.940 -3.481 1.00 0.00 O ATOM 0 H GLU A 83 -7.563 8.315 -0.086 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.380 9.415 -2.828 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.732 10.188 -0.335 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.740 11.483 -0.974 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.073 10.497 -3.227 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.280 10.410 -1.960 1.00 0.00 H new ATOM 298 N LYS A 84 -5.463 11.119 -2.158 1.00 0.00 N ATOM 299 CA LYS A 84 -4.139 11.695 -1.976 1.00 0.00 C ATOM 300 C LYS A 84 -4.075 12.374 -0.612 1.00 0.00 C ATOM 301 O LYS A 84 -4.955 13.156 -0.256 1.00 0.00 O ATOM 302 CB LYS A 84 -3.833 12.676 -3.109 1.00 0.00 C ATOM 303 CG LYS A 84 -2.722 13.667 -2.794 1.00 0.00 C ATOM 304 CD LYS A 84 -2.821 14.909 -3.661 1.00 0.00 C ATOM 305 CE LYS A 84 -2.311 14.647 -5.069 1.00 0.00 C ATOM 306 NZ LYS A 84 -1.823 15.892 -5.723 1.00 0.00 N ATOM 0 H LYS A 84 -6.055 11.616 -2.824 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.382 10.912 -2.008 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.558 12.111 -4.000 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.741 13.230 -3.350 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.774 13.951 -1.743 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.754 13.191 -2.948 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.858 15.242 -3.704 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.246 15.717 -3.209 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.504 13.916 -5.032 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.109 14.211 -5.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.484 15.671 -6.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.600 16.581 -5.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.044 16.295 -5.164 1.00 0.00 H new ATOM 320 N GLY A 85 -3.050 12.039 0.164 1.00 0.00 N ATOM 321 CA GLY A 85 -2.921 12.594 1.500 1.00 0.00 C ATOM 322 C GLY A 85 -3.741 11.808 2.504 1.00 0.00 C ATOM 323 O GLY A 85 -3.594 11.986 3.712 1.00 0.00 O ATOM 0 H GLY A 85 -2.307 11.394 -0.107 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.873 12.588 1.799 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.246 13.635 1.497 1.00 0.00 H new ATOM 327 N GLU A 86 -4.595 10.915 1.998 1.00 0.00 N ATOM 328 CA GLU A 86 -5.423 10.077 2.848 1.00 0.00 C ATOM 329 C GLU A 86 -4.545 9.278 3.788 1.00 0.00 C ATOM 330 O GLU A 86 -3.338 9.177 3.583 1.00 0.00 O ATOM 331 CB GLU A 86 -6.253 9.121 1.988 1.00 0.00 C ATOM 332 CG GLU A 86 -7.672 8.851 2.475 1.00 0.00 C ATOM 333 CD GLU A 86 -8.082 9.667 3.689 1.00 0.00 C ATOM 334 OE1 GLU A 86 -8.322 10.883 3.534 1.00 0.00 O ATOM 335 OE2 GLU A 86 -8.163 9.088 4.794 1.00 0.00 O ATOM 0 H GLU A 86 -4.726 10.758 0.999 1.00 0.00 H new ATOM 0 HA GLU A 86 -6.093 10.712 3.428 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.307 9.526 0.977 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.725 8.170 1.923 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.368 9.056 1.662 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.766 7.792 2.715 1.00 0.00 H new ATOM 342 N GLN A 87 -5.151 8.702 4.808 1.00 0.00 N ATOM 343 CA GLN A 87 -4.404 7.908 5.766 1.00 0.00 C ATOM 344 C GLN A 87 -4.969 6.505 5.871 1.00 0.00 C ATOM 345 O GLN A 87 -6.171 6.284 5.726 1.00 0.00 O ATOM 346 CB GLN A 87 -4.392 8.573 7.139 1.00 0.00 C ATOM 347 CG GLN A 87 -4.133 10.067 7.081 1.00 0.00 C ATOM 348 CD GLN A 87 -4.956 10.845 8.089 1.00 0.00 C ATOM 349 OE1 GLN A 87 -5.847 11.610 7.722 1.00 0.00 O ATOM 350 NE2 GLN A 87 -4.661 10.651 9.369 1.00 0.00 N ATOM 0 H GLN A 87 -6.152 8.768 4.995 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.378 7.841 5.405 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.350 8.396 7.629 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.627 8.102 7.756 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.074 10.255 7.260 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.356 10.431 6.078 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.914 10.007 9.628 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -5.182 11.146 10.093 1.00 0.00 H new ATOM 359 N LEU A 88 -4.078 5.569 6.124 1.00 0.00 N ATOM 360 CA LEU A 88 -4.442 4.167 6.258 1.00 0.00 C ATOM 361 C LEU A 88 -3.549 3.498 7.274 1.00 0.00 C ATOM 362 O LEU A 88 -2.323 3.562 7.179 1.00 0.00 O ATOM 363 CB LEU A 88 -4.315 3.422 4.929 1.00 0.00 C ATOM 364 CG LEU A 88 -4.546 4.255 3.670 1.00 0.00 C ATOM 365 CD1 LEU A 88 -3.478 3.947 2.633 1.00 0.00 C ATOM 366 CD2 LEU A 88 -5.932 3.982 3.114 1.00 0.00 C ATOM 0 H LEU A 88 -3.082 5.754 6.243 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.482 4.130 6.582 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.318 2.985 4.874 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.025 2.595 4.929 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.479 5.313 3.925 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.654 4.547 1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.495 4.183 3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.518 2.889 2.373 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.088 4.580 2.216 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.023 2.925 2.866 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.682 4.245 3.860 1.00 0.00 H new ATOM 378 N ARG A 89 -4.163 2.841 8.233 1.00 0.00 N ATOM 379 CA ARG A 89 -3.425 2.151 9.252 1.00 0.00 C ATOM 380 C ARG A 89 -2.941 0.815 8.709 1.00 0.00 C ATOM 381 O ARG A 89 -3.703 -0.145 8.601 1.00 0.00 O ATOM 382 CB ARG A 89 -4.292 1.960 10.486 1.00 0.00 C ATOM 383 CG ARG A 89 -3.689 0.999 11.473 1.00 0.00 C ATOM 384 CD ARG A 89 -4.514 0.913 12.738 1.00 0.00 C ATOM 385 NE ARG A 89 -3.762 0.320 13.839 1.00 0.00 N ATOM 386 CZ ARG A 89 -4.325 -0.243 14.906 1.00 0.00 C ATOM 387 NH1 ARG A 89 -5.647 -0.288 15.024 1.00 0.00 N ATOM 388 NH2 ARG A 89 -3.565 -0.761 15.861 1.00 0.00 N ATOM 0 H ARG A 89 -5.177 2.774 8.323 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.557 2.743 9.541 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.445 2.924 10.971 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -5.274 1.596 10.183 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.612 0.011 11.020 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.676 1.317 11.719 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.848 1.911 13.022 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.409 0.320 12.548 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.743 0.338 13.788 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -6.238 0.110 14.294 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -6.071 -0.721 15.844 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.549 -0.728 15.778 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.996 -1.192 16.678 1.00 0.00 H new ATOM 402 N ILE A 90 -1.672 0.782 8.344 1.00 0.00 N ATOM 403 CA ILE A 90 -1.060 -0.408 7.776 1.00 0.00 C ATOM 404 C ILE A 90 -1.219 -1.619 8.680 1.00 0.00 C ATOM 405 O ILE A 90 -0.625 -1.700 9.755 1.00 0.00 O ATOM 406 CB ILE A 90 0.439 -0.183 7.478 1.00 0.00 C ATOM 407 CG1 ILE A 90 0.632 1.081 6.645 1.00 0.00 C ATOM 408 CG2 ILE A 90 1.026 -1.375 6.745 1.00 0.00 C ATOM 409 CD1 ILE A 90 -0.036 1.023 5.288 1.00 0.00 C ATOM 0 H ILE A 90 -1.038 1.576 8.432 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.584 -0.605 6.841 1.00 0.00 H new ATOM 0 HB ILE A 90 0.959 -0.066 8.429 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.238 1.934 7.198 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.699 1.256 6.508 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.082 -1.195 6.545 1.00 0.00 H new ATOM 0 HG22 ILE A 90 0.920 -2.269 7.360 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.498 -1.519 5.802 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.144 1.956 4.754 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.375 0.191 4.715 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.109 0.880 5.416 1.00 0.00 H new ATOM 421 N LEU A 91 -2.011 -2.569 8.208 1.00 0.00 N ATOM 422 CA LEU A 91 -2.251 -3.808 8.923 1.00 0.00 C ATOM 423 C LEU A 91 -1.069 -4.732 8.699 1.00 0.00 C ATOM 424 O LEU A 91 -0.515 -5.311 9.634 1.00 0.00 O ATOM 425 CB LEU A 91 -3.539 -4.444 8.405 1.00 0.00 C ATOM 426 CG LEU A 91 -4.712 -3.469 8.282 1.00 0.00 C ATOM 427 CD1 LEU A 91 -5.937 -4.146 7.694 1.00 0.00 C ATOM 428 CD2 LEU A 91 -5.036 -2.848 9.634 1.00 0.00 C ATOM 0 H LEU A 91 -2.505 -2.501 7.318 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.361 -3.621 9.991 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.345 -4.887 7.428 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.824 -5.257 9.073 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.414 -2.674 7.598 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.751 -3.425 7.621 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.700 -4.528 6.701 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.240 -4.972 8.338 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.873 -2.158 9.526 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.303 -3.634 10.341 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.165 -2.307 10.004 1.00 0.00 H new ATOM 440 N GLU A 92 -0.672 -4.821 7.440 1.00 0.00 N ATOM 441 CA GLU A 92 0.469 -5.621 7.037 1.00 0.00 C ATOM 442 C GLU A 92 1.178 -4.939 5.877 1.00 0.00 C ATOM 443 O GLU A 92 0.548 -4.239 5.086 1.00 0.00 O ATOM 444 CB GLU A 92 0.042 -7.036 6.657 1.00 0.00 C ATOM 445 CG GLU A 92 0.604 -8.084 7.598 1.00 0.00 C ATOM 446 CD GLU A 92 -0.474 -8.824 8.367 1.00 0.00 C ATOM 447 OE1 GLU A 92 -1.588 -8.981 7.823 1.00 0.00 O ATOM 448 OE2 GLU A 92 -0.204 -9.247 9.510 1.00 0.00 O ATOM 0 H GLU A 92 -1.134 -4.339 6.669 1.00 0.00 H new ATOM 0 HA GLU A 92 1.157 -5.704 7.878 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.046 -7.097 6.659 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.371 -7.251 5.640 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.192 -8.801 7.026 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.283 -7.605 8.303 1.00 0.00 H new ATOM 455 N GLN A 93 2.490 -5.108 5.794 1.00 0.00 N ATOM 456 CA GLN A 93 3.257 -4.463 4.740 1.00 0.00 C ATOM 457 C GLN A 93 4.204 -5.431 4.048 1.00 0.00 C ATOM 458 O GLN A 93 5.315 -5.063 3.665 1.00 0.00 O ATOM 459 CB GLN A 93 4.032 -3.283 5.313 1.00 0.00 C ATOM 460 CG GLN A 93 4.394 -3.474 6.757 1.00 0.00 C ATOM 461 CD GLN A 93 5.035 -2.249 7.379 1.00 0.00 C ATOM 462 OE1 GLN A 93 4.685 -1.846 8.488 1.00 0.00 O ATOM 463 NE2 GLN A 93 5.981 -1.649 6.665 1.00 0.00 N ATOM 0 H GLN A 93 3.040 -5.679 6.436 1.00 0.00 H new ATOM 0 HA GLN A 93 2.553 -4.107 3.988 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.942 -3.134 4.731 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.435 -2.377 5.209 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.496 -3.731 7.319 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.078 -4.318 6.845 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.240 -2.017 5.750 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.448 -0.820 7.032 1.00 0.00 H new ATOM 472 N SER A 94 3.755 -6.665 3.874 1.00 0.00 N ATOM 473 CA SER A 94 4.559 -7.673 3.209 1.00 0.00 C ATOM 474 C SER A 94 4.341 -7.612 1.704 1.00 0.00 C ATOM 475 O SER A 94 3.203 -7.566 1.233 1.00 0.00 O ATOM 476 CB SER A 94 4.219 -9.065 3.745 1.00 0.00 C ATOM 477 OG SER A 94 3.960 -9.983 2.695 1.00 0.00 O ATOM 0 H SER A 94 2.839 -6.990 4.184 1.00 0.00 H new ATOM 0 HA SER A 94 5.611 -7.473 3.415 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.045 -9.432 4.354 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.347 -9.001 4.396 1.00 0.00 H new ATOM 0 HG SER A 94 3.748 -10.862 3.074 1.00 0.00 H new ATOM 483 N GLY A 95 5.434 -7.607 0.957 1.00 0.00 N ATOM 484 CA GLY A 95 5.335 -7.547 -0.489 1.00 0.00 C ATOM 485 C GLY A 95 5.012 -6.166 -1.000 1.00 0.00 C ATOM 486 O GLY A 95 4.578 -5.291 -0.250 1.00 0.00 O ATOM 0 H GLY A 95 6.385 -7.643 1.323 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.276 -7.879 -0.926 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.565 -8.242 -0.824 1.00 0.00 H new ATOM 490 N GLU A 96 5.223 -5.984 -2.294 1.00 0.00 N ATOM 491 CA GLU A 96 4.961 -4.718 -2.959 1.00 0.00 C ATOM 492 C GLU A 96 3.573 -4.170 -2.603 1.00 0.00 C ATOM 493 O GLU A 96 3.315 -2.977 -2.751 1.00 0.00 O ATOM 494 CB GLU A 96 5.098 -4.912 -4.464 1.00 0.00 C ATOM 495 CG GLU A 96 4.103 -4.113 -5.249 1.00 0.00 C ATOM 496 CD GLU A 96 4.339 -4.169 -6.745 1.00 0.00 C ATOM 497 OE1 GLU A 96 5.512 -4.285 -7.158 1.00 0.00 O ATOM 498 OE2 GLU A 96 3.351 -4.099 -7.506 1.00 0.00 O ATOM 0 H GLU A 96 5.581 -6.711 -2.913 1.00 0.00 H new ATOM 0 HA GLU A 96 5.689 -3.983 -2.617 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.105 -4.631 -4.771 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.976 -5.969 -4.701 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.100 -4.480 -5.032 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.140 -3.074 -4.920 1.00 0.00 H new ATOM 505 N TRP A 97 2.682 -5.041 -2.143 1.00 0.00 N ATOM 506 CA TRP A 97 1.335 -4.623 -1.776 1.00 0.00 C ATOM 507 C TRP A 97 1.132 -4.716 -0.265 1.00 0.00 C ATOM 508 O TRP A 97 1.254 -5.791 0.321 1.00 0.00 O ATOM 509 CB TRP A 97 0.306 -5.483 -2.505 1.00 0.00 C ATOM 510 CG TRP A 97 0.146 -5.103 -3.945 1.00 0.00 C ATOM 511 CD1 TRP A 97 0.891 -5.550 -4.998 1.00 0.00 C ATOM 512 CD2 TRP A 97 -0.810 -4.188 -4.488 1.00 0.00 C ATOM 513 NE1 TRP A 97 0.458 -4.965 -6.163 1.00 0.00 N ATOM 514 CE2 TRP A 97 -0.586 -4.126 -5.877 1.00 0.00 C ATOM 515 CE3 TRP A 97 -1.834 -3.416 -3.936 1.00 0.00 C ATOM 516 CZ2 TRP A 97 -1.348 -3.318 -6.717 1.00 0.00 C ATOM 517 CZ3 TRP A 97 -2.590 -2.617 -4.770 1.00 0.00 C ATOM 518 CH2 TRP A 97 -2.344 -2.572 -6.147 1.00 0.00 C ATOM 0 H TRP A 97 2.867 -6.036 -2.016 1.00 0.00 H new ATOM 0 HA TRP A 97 1.201 -3.583 -2.073 1.00 0.00 H new ATOM 0 HB2 TRP A 97 0.604 -6.530 -2.441 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.657 -5.394 -2.002 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.702 -6.260 -4.926 1.00 0.00 H new ATOM 0 HE1 TRP A 97 0.850 -5.129 -7.090 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -2.031 -3.443 -2.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -1.160 -3.281 -7.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -3.385 -2.016 -4.353 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -2.952 -1.936 -6.773 1.00 0.00 H new ATOM 529 N TRP A 98 0.835 -3.579 0.362 1.00 0.00 N ATOM 530 CA TRP A 98 0.632 -3.535 1.804 1.00 0.00 C ATOM 531 C TRP A 98 -0.842 -3.492 2.176 1.00 0.00 C ATOM 532 O TRP A 98 -1.643 -2.819 1.526 1.00 0.00 O ATOM 533 CB TRP A 98 1.326 -2.315 2.400 1.00 0.00 C ATOM 534 CG TRP A 98 2.819 -2.391 2.338 1.00 0.00 C ATOM 535 CD1 TRP A 98 3.571 -3.401 1.815 1.00 0.00 C ATOM 536 CD2 TRP A 98 3.736 -1.418 2.828 1.00 0.00 C ATOM 537 NE1 TRP A 98 4.908 -3.114 1.955 1.00 0.00 N ATOM 538 CE2 TRP A 98 5.035 -1.895 2.572 1.00 0.00 C ATOM 539 CE3 TRP A 98 3.580 -0.188 3.458 1.00 0.00 C ATOM 540 CZ2 TRP A 98 6.174 -1.176 2.929 1.00 0.00 C ATOM 541 CZ3 TRP A 98 4.706 0.530 3.812 1.00 0.00 C ATOM 542 CH2 TRP A 98 5.990 0.034 3.546 1.00 0.00 C ATOM 0 H TRP A 98 0.730 -2.679 -0.107 1.00 0.00 H new ATOM 0 HA TRP A 98 1.062 -4.450 2.210 1.00 0.00 H new ATOM 0 HB2 TRP A 98 0.993 -1.422 1.871 1.00 0.00 H new ATOM 0 HB3 TRP A 98 1.018 -2.203 3.440 1.00 0.00 H new ATOM 0 HD1 TRP A 98 3.174 -4.295 1.358 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.679 -3.709 1.650 1.00 0.00 H new ATOM 0 HE3 TRP A 98 2.594 0.200 3.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 7.164 -1.558 2.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 4.596 1.487 4.301 1.00 0.00 H new ATOM 0 HH2 TRP A 98 6.852 0.618 3.833 1.00 0.00 H new ATOM 553 N LYS A 99 -1.180 -4.188 3.253 1.00 0.00 N ATOM 554 CA LYS A 99 -2.543 -4.209 3.754 1.00 0.00 C ATOM 555 C LYS A 99 -2.748 -3.032 4.696 1.00 0.00 C ATOM 556 O LYS A 99 -2.117 -2.962 5.748 1.00 0.00 O ATOM 557 CB LYS A 99 -2.824 -5.520 4.494 1.00 0.00 C ATOM 558 CG LYS A 99 -4.212 -5.592 5.110 1.00 0.00 C ATOM 559 CD LYS A 99 -5.241 -4.921 4.231 1.00 0.00 C ATOM 560 CE LYS A 99 -6.653 -5.347 4.595 1.00 0.00 C ATOM 561 NZ LYS A 99 -7.332 -6.048 3.470 1.00 0.00 N ATOM 0 H LYS A 99 -0.523 -4.748 3.797 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.232 -4.133 2.913 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.701 -6.352 3.800 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.081 -5.649 5.281 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.489 -6.635 5.266 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.202 -5.115 6.090 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.151 -3.839 4.326 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.044 -5.167 3.187 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.621 -6.004 5.464 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.234 -4.470 4.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.294 -5.671 3.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.795 -5.897 2.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.382 -7.066 3.675 1.00 0.00 H new ATOM 575 N ALA A 100 -3.610 -2.101 4.315 1.00 0.00 N ATOM 576 CA ALA A 100 -3.860 -0.930 5.142 1.00 0.00 C ATOM 577 C ALA A 100 -5.315 -0.827 5.546 1.00 0.00 C ATOM 578 O ALA A 100 -6.214 -1.117 4.759 1.00 0.00 O ATOM 579 CB ALA A 100 -3.446 0.340 4.413 1.00 0.00 C ATOM 0 H ALA A 100 -4.144 -2.132 3.446 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.261 -1.043 6.046 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.641 1.204 5.048 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -2.383 0.295 4.178 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.018 0.432 3.489 1.00 0.00 H new ATOM 585 N GLN A 101 -5.543 -0.369 6.768 1.00 0.00 N ATOM 586 CA GLN A 101 -6.890 -0.178 7.253 1.00 0.00 C ATOM 587 C GLN A 101 -7.159 1.308 7.331 1.00 0.00 C ATOM 588 O GLN A 101 -6.583 2.011 8.160 1.00 0.00 O ATOM 589 CB GLN A 101 -7.096 -0.830 8.619 1.00 0.00 C ATOM 590 CG GLN A 101 -8.432 -0.492 9.242 1.00 0.00 C ATOM 591 CD GLN A 101 -8.488 -0.805 10.724 1.00 0.00 C ATOM 592 OE1 GLN A 101 -8.947 -1.873 11.128 1.00 0.00 O ATOM 593 NE2 GLN A 101 -8.021 0.130 11.543 1.00 0.00 N ATOM 0 H GLN A 101 -4.811 -0.125 7.435 1.00 0.00 H new ATOM 0 HA GLN A 101 -7.588 -0.655 6.566 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -7.014 -1.912 8.515 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -6.298 -0.513 9.290 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -8.640 0.567 9.091 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.217 -1.047 8.729 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -7.649 1.001 11.164 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -8.034 -0.023 12.551 1.00 0.00 H new ATOM 602 N SER A 102 -8.028 1.784 6.461 1.00 0.00 N ATOM 603 CA SER A 102 -8.366 3.185 6.424 1.00 0.00 C ATOM 604 C SER A 102 -8.710 3.677 7.822 1.00 0.00 C ATOM 605 O SER A 102 -8.884 2.878 8.743 1.00 0.00 O ATOM 606 CB SER A 102 -9.527 3.389 5.463 1.00 0.00 C ATOM 607 OG SER A 102 -9.114 4.088 4.300 1.00 0.00 O ATOM 0 H SER A 102 -8.513 1.214 5.768 1.00 0.00 H new ATOM 0 HA SER A 102 -7.514 3.766 6.071 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.943 2.422 5.181 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.322 3.944 5.961 1.00 0.00 H new ATOM 0 HG SER A 102 -9.879 4.204 3.699 1.00 0.00 H new ATOM 613 N LEU A 103 -8.775 4.983 7.994 1.00 0.00 N ATOM 614 CA LEU A 103 -9.070 5.545 9.305 1.00 0.00 C ATOM 615 C LEU A 103 -10.262 6.487 9.267 1.00 0.00 C ATOM 616 O LEU A 103 -10.939 6.684 10.277 1.00 0.00 O ATOM 617 CB LEU A 103 -7.836 6.238 9.849 1.00 0.00 C ATOM 618 CG LEU A 103 -6.756 5.263 10.315 1.00 0.00 C ATOM 619 CD1 LEU A 103 -5.732 5.065 9.217 1.00 0.00 C ATOM 620 CD2 LEU A 103 -6.089 5.729 11.598 1.00 0.00 C ATOM 0 H LEU A 103 -8.630 5.671 7.255 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.344 4.729 9.974 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.422 6.888 9.078 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.124 6.877 10.683 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.235 4.308 10.533 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.965 4.369 9.556 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.222 4.662 8.331 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.271 6.022 8.973 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -5.328 5.008 11.895 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.624 6.701 11.434 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.836 5.813 12.387 1.00 0.00 H new ATOM 632 N THR A 104 -10.538 7.042 8.101 1.00 0.00 N ATOM 633 CA THR A 104 -11.670 7.928 7.936 1.00 0.00 C ATOM 634 C THR A 104 -12.923 7.096 7.714 1.00 0.00 C ATOM 635 O THR A 104 -14.000 7.392 8.232 1.00 0.00 O ATOM 636 CB THR A 104 -11.432 8.847 6.747 1.00 0.00 C ATOM 637 OG1 THR A 104 -10.067 9.213 6.656 1.00 0.00 O ATOM 638 CG2 THR A 104 -12.241 10.106 6.823 1.00 0.00 C ATOM 0 H THR A 104 -9.990 6.893 7.253 1.00 0.00 H new ATOM 0 HA THR A 104 -11.796 8.539 8.830 1.00 0.00 H new ATOM 0 HB THR A 104 -11.738 8.281 5.868 1.00 0.00 H new ATOM 0 HG1 THR A 104 -9.730 8.999 5.761 1.00 0.00 H new ATOM 0 HG21 THR A 104 -12.033 10.725 5.950 1.00 0.00 H new ATOM 0 HG22 THR A 104 -13.302 9.856 6.846 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.977 10.654 7.728 1.00 0.00 H new ATOM 646 N THR A 105 -12.740 6.044 6.935 1.00 0.00 N ATOM 647 CA THR A 105 -13.793 5.105 6.596 1.00 0.00 C ATOM 648 C THR A 105 -13.524 3.770 7.277 1.00 0.00 C ATOM 649 O THR A 105 -14.431 3.055 7.701 1.00 0.00 O ATOM 650 CB THR A 105 -13.793 4.902 5.089 1.00 0.00 C ATOM 651 OG1 THR A 105 -12.973 3.804 4.724 1.00 0.00 O ATOM 652 CG2 THR A 105 -13.298 6.108 4.320 1.00 0.00 C ATOM 0 H THR A 105 -11.840 5.815 6.514 1.00 0.00 H new ATOM 0 HA THR A 105 -14.756 5.493 6.927 1.00 0.00 H new ATOM 0 HB THR A 105 -14.836 4.722 4.829 1.00 0.00 H new ATOM 0 HG1 THR A 105 -12.476 4.024 3.908 1.00 0.00 H new ATOM 0 HG21 THR A 105 -13.324 5.894 3.252 1.00 0.00 H new ATOM 0 HG22 THR A 105 -13.938 6.964 4.535 1.00 0.00 H new ATOM 0 HG23 THR A 105 -12.275 6.336 4.619 1.00 0.00 H new ATOM 660 N GLY A 106 -12.242 3.473 7.351 1.00 0.00 N ATOM 661 CA GLY A 106 -11.745 2.262 7.943 1.00 0.00 C ATOM 662 C GLY A 106 -11.783 1.081 7.001 1.00 0.00 C ATOM 663 O GLY A 106 -11.353 -0.016 7.359 1.00 0.00 O ATOM 0 H GLY A 106 -11.508 4.083 6.992 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -10.719 2.422 8.274 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -12.334 2.030 8.830 1.00 0.00 H new ATOM 667 N GLN A 107 -12.280 1.296 5.788 1.00 0.00 N ATOM 668 CA GLN A 107 -12.348 0.247 4.803 1.00 0.00 C ATOM 669 C GLN A 107 -11.010 -0.455 4.662 1.00 0.00 C ATOM 670 O GLN A 107 -9.983 0.173 4.401 1.00 0.00 O ATOM 671 CB GLN A 107 -12.800 0.833 3.487 1.00 0.00 C ATOM 672 CG GLN A 107 -14.304 0.897 3.396 1.00 0.00 C ATOM 673 CD GLN A 107 -14.856 2.287 3.630 1.00 0.00 C ATOM 674 OE1 GLN A 107 -15.537 2.537 4.625 1.00 0.00 O ATOM 675 NE2 GLN A 107 -14.565 3.202 2.713 1.00 0.00 N ATOM 0 H GLN A 107 -12.641 2.196 5.471 1.00 0.00 H new ATOM 0 HA GLN A 107 -13.070 -0.503 5.125 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.385 1.834 3.372 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -12.410 0.230 2.667 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -14.617 0.549 2.412 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -14.735 0.214 4.127 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -13.997 2.951 1.904 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -14.909 4.156 2.818 1.00 0.00 H new ATOM 684 N GLU A 108 -11.031 -1.759 4.865 1.00 0.00 N ATOM 685 CA GLU A 108 -9.819 -2.562 4.791 1.00 0.00 C ATOM 686 C GLU A 108 -9.593 -3.114 3.390 1.00 0.00 C ATOM 687 O GLU A 108 -10.539 -3.423 2.667 1.00 0.00 O ATOM 688 CB GLU A 108 -9.885 -3.705 5.801 1.00 0.00 C ATOM 689 CG GLU A 108 -9.955 -3.238 7.242 1.00 0.00 C ATOM 690 CD GLU A 108 -11.121 -3.844 8.000 1.00 0.00 C ATOM 691 OE1 GLU A 108 -11.014 -5.019 8.413 1.00 0.00 O ATOM 692 OE2 GLU A 108 -12.139 -3.145 8.180 1.00 0.00 O ATOM 0 H GLU A 108 -11.875 -2.288 5.083 1.00 0.00 H new ATOM 0 HA GLU A 108 -8.976 -1.914 5.032 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.758 -4.320 5.584 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -9.008 -4.340 5.676 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -9.025 -3.496 7.748 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -10.039 -2.151 7.263 1.00 0.00 H new ATOM 699 N GLY A 109 -8.323 -3.234 3.018 1.00 0.00 N ATOM 700 CA GLY A 109 -7.972 -3.750 1.710 1.00 0.00 C ATOM 701 C GLY A 109 -6.485 -3.644 1.435 1.00 0.00 C ATOM 702 O GLY A 109 -5.725 -3.155 2.270 1.00 0.00 O ATOM 0 H GLY A 109 -7.527 -2.981 3.604 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.280 -4.793 1.638 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.522 -3.202 0.945 1.00 0.00 H new ATOM 706 N PHE A 110 -6.071 -4.104 0.263 1.00 0.00 N ATOM 707 CA PHE A 110 -4.672 -4.067 -0.123 1.00 0.00 C ATOM 708 C PHE A 110 -4.347 -2.768 -0.849 1.00 0.00 C ATOM 709 O PHE A 110 -5.139 -2.282 -1.655 1.00 0.00 O ATOM 710 CB PHE A 110 -4.356 -5.264 -1.014 1.00 0.00 C ATOM 711 CG PHE A 110 -3.739 -6.415 -0.275 1.00 0.00 C ATOM 712 CD1 PHE A 110 -4.311 -6.890 0.896 1.00 0.00 C ATOM 713 CD2 PHE A 110 -2.587 -7.024 -0.748 1.00 0.00 C ATOM 714 CE1 PHE A 110 -3.745 -7.950 1.579 1.00 0.00 C ATOM 715 CE2 PHE A 110 -2.017 -8.084 -0.069 1.00 0.00 C ATOM 716 CZ PHE A 110 -2.597 -8.547 1.096 1.00 0.00 C ATOM 0 H PHE A 110 -6.690 -4.509 -0.439 1.00 0.00 H new ATOM 0 HA PHE A 110 -4.058 -4.115 0.776 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -5.274 -5.602 -1.494 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -3.679 -4.947 -1.807 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -5.208 -6.426 1.278 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -2.129 -6.666 -1.658 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.200 -8.311 2.489 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -1.120 -8.550 -0.449 1.00 0.00 H new ATOM 0 HZ PHE A 110 -2.153 -9.375 1.629 1.00 0.00 H new ATOM 726 N ILE A 111 -3.182 -2.203 -0.555 1.00 0.00 N ATOM 727 CA ILE A 111 -2.771 -0.955 -1.181 1.00 0.00 C ATOM 728 C ILE A 111 -1.329 -1.010 -1.676 1.00 0.00 C ATOM 729 O ILE A 111 -0.457 -1.608 -1.047 1.00 0.00 O ATOM 730 CB ILE A 111 -2.901 0.232 -0.205 1.00 0.00 C ATOM 731 CG1 ILE A 111 -1.992 0.010 1.004 1.00 0.00 C ATOM 732 CG2 ILE A 111 -4.350 0.419 0.215 1.00 0.00 C ATOM 733 CD1 ILE A 111 -1.494 1.287 1.644 1.00 0.00 C ATOM 0 H ILE A 111 -2.510 -2.587 0.109 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.437 -0.812 -2.032 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.584 1.146 -0.706 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.534 -0.571 1.751 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -1.134 -0.588 0.696 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.423 1.261 0.904 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.962 0.616 -0.666 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.705 -0.486 0.708 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.856 1.043 2.494 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.923 1.861 0.914 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -2.344 1.878 1.986 1.00 0.00 H new ATOM 745 N PRO A 112 -1.070 -0.351 -2.808 1.00 0.00 N ATOM 746 CA PRO A 112 0.258 -0.273 -3.401 1.00 0.00 C ATOM 747 C PRO A 112 1.275 0.283 -2.406 1.00 0.00 C ATOM 748 O PRO A 112 1.150 1.421 -1.953 1.00 0.00 O ATOM 749 CB PRO A 112 0.080 0.687 -4.585 1.00 0.00 C ATOM 750 CG PRO A 112 -1.242 1.344 -4.369 1.00 0.00 C ATOM 751 CD PRO A 112 -2.062 0.388 -3.576 1.00 0.00 C ATOM 0 HA PRO A 112 0.636 -1.250 -3.701 1.00 0.00 H new ATOM 0 HB2 PRO A 112 0.883 1.423 -4.618 1.00 0.00 H new ATOM 0 HB3 PRO A 112 0.101 0.149 -5.533 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -1.124 2.288 -3.838 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.723 1.572 -5.320 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -2.768 0.906 -2.927 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -2.645 -0.271 -4.219 1.00 0.00 H new ATOM 759 N PHE A 113 2.264 -0.528 -2.050 1.00 0.00 N ATOM 760 CA PHE A 113 3.282 -0.116 -1.086 1.00 0.00 C ATOM 761 C PHE A 113 3.996 1.170 -1.515 1.00 0.00 C ATOM 762 O PHE A 113 4.602 1.851 -0.689 1.00 0.00 O ATOM 763 CB PHE A 113 4.294 -1.248 -0.863 1.00 0.00 C ATOM 764 CG PHE A 113 5.395 -1.305 -1.890 1.00 0.00 C ATOM 765 CD1 PHE A 113 5.126 -1.093 -3.233 1.00 0.00 C ATOM 766 CD2 PHE A 113 6.701 -1.568 -1.507 1.00 0.00 C ATOM 767 CE1 PHE A 113 6.137 -1.144 -4.174 1.00 0.00 C ATOM 768 CE2 PHE A 113 7.716 -1.619 -2.443 1.00 0.00 C ATOM 769 CZ PHE A 113 7.435 -1.407 -3.778 1.00 0.00 C ATOM 0 H PHE A 113 2.384 -1.474 -2.413 1.00 0.00 H new ATOM 0 HA PHE A 113 2.774 0.097 -0.145 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.740 -1.132 0.125 1.00 0.00 H new ATOM 0 HB3 PHE A 113 3.763 -2.200 -0.863 1.00 0.00 H new ATOM 0 HD1 PHE A 113 4.114 -0.885 -3.548 1.00 0.00 H new ATOM 0 HD2 PHE A 113 6.928 -1.735 -0.464 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.913 -0.979 -5.218 1.00 0.00 H new ATOM 0 HE2 PHE A 113 8.729 -1.825 -2.130 1.00 0.00 H new ATOM 0 HZ PHE A 113 8.227 -1.447 -4.511 1.00 0.00 H new ATOM 779 N ASN A 114 3.926 1.499 -2.802 1.00 0.00 N ATOM 780 CA ASN A 114 4.573 2.703 -3.315 1.00 0.00 C ATOM 781 C ASN A 114 3.558 3.822 -3.530 1.00 0.00 C ATOM 782 O ASN A 114 3.684 4.620 -4.459 1.00 0.00 O ATOM 783 CB ASN A 114 5.298 2.397 -4.627 1.00 0.00 C ATOM 784 CG ASN A 114 4.441 1.602 -5.592 1.00 0.00 C ATOM 785 OD1 ASN A 114 4.144 0.430 -5.357 1.00 0.00 O ATOM 786 ND2 ASN A 114 4.038 2.236 -6.688 1.00 0.00 N ATOM 0 H ASN A 114 3.430 0.952 -3.506 1.00 0.00 H new ATOM 0 HA ASN A 114 5.299 3.037 -2.574 1.00 0.00 H new ATOM 0 HB2 ASN A 114 5.599 3.332 -5.099 1.00 0.00 H new ATOM 0 HB3 ASN A 114 6.210 1.840 -4.413 1.00 0.00 H new ATOM 0 HD21 ASN A 114 3.459 1.751 -7.374 1.00 0.00 H new ATOM 0 HD22 ASN A 114 4.307 3.208 -6.843 1.00 0.00 H new ATOM 793 N PHE A 115 2.546 3.863 -2.672 1.00 0.00 N ATOM 794 CA PHE A 115 1.495 4.872 -2.767 1.00 0.00 C ATOM 795 C PHE A 115 1.390 5.697 -1.489 1.00 0.00 C ATOM 796 O PHE A 115 0.979 6.856 -1.521 1.00 0.00 O ATOM 797 CB PHE A 115 0.156 4.184 -3.017 1.00 0.00 C ATOM 798 CG PHE A 115 -0.646 4.761 -4.147 1.00 0.00 C ATOM 799 CD1 PHE A 115 -1.348 5.945 -3.986 1.00 0.00 C ATOM 800 CD2 PHE A 115 -0.723 4.102 -5.362 1.00 0.00 C ATOM 801 CE1 PHE A 115 -2.109 6.457 -5.017 1.00 0.00 C ATOM 802 CE2 PHE A 115 -1.479 4.611 -6.395 1.00 0.00 C ATOM 803 CZ PHE A 115 -2.176 5.789 -6.223 1.00 0.00 C ATOM 0 H PHE A 115 2.430 3.207 -1.899 1.00 0.00 H new ATOM 0 HA PHE A 115 1.747 5.541 -3.590 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.338 3.129 -3.221 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.439 4.235 -2.105 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -1.299 6.472 -3.045 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -0.183 3.177 -5.502 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -2.652 7.380 -4.880 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -1.526 4.088 -7.339 1.00 0.00 H new ATOM 0 HZ PHE A 115 -2.773 6.188 -7.030 1.00 0.00 H new ATOM 813 N VAL A 116 1.720 5.079 -0.359 1.00 0.00 N ATOM 814 CA VAL A 116 1.613 5.751 0.929 1.00 0.00 C ATOM 815 C VAL A 116 2.963 6.045 1.572 1.00 0.00 C ATOM 816 O VAL A 116 3.928 5.296 1.414 1.00 0.00 O ATOM 817 CB VAL A 116 0.774 4.915 1.912 1.00 0.00 C ATOM 818 CG1 VAL A 116 -0.653 4.790 1.412 1.00 0.00 C ATOM 819 CG2 VAL A 116 1.396 3.538 2.127 1.00 0.00 C ATOM 0 H VAL A 116 2.062 4.119 -0.310 1.00 0.00 H new ATOM 0 HA VAL A 116 1.126 6.704 0.722 1.00 0.00 H new ATOM 0 HB VAL A 116 0.760 5.428 2.874 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.235 4.196 2.117 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -1.095 5.782 1.322 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -0.656 4.302 0.438 1.00 0.00 H new ATOM 0 HG21 VAL A 116 0.784 2.967 2.826 1.00 0.00 H new ATOM 0 HG22 VAL A 116 1.448 3.010 1.175 1.00 0.00 H new ATOM 0 HG23 VAL A 116 2.401 3.652 2.534 1.00 0.00 H new ATOM 829 N ALA A 117 2.997 7.143 2.323 1.00 0.00 N ATOM 830 CA ALA A 117 4.189 7.570 3.038 1.00 0.00 C ATOM 831 C ALA A 117 3.807 7.996 4.450 1.00 0.00 C ATOM 832 O ALA A 117 2.749 8.587 4.657 1.00 0.00 O ATOM 833 CB ALA A 117 4.876 8.709 2.299 1.00 0.00 C ATOM 0 H ALA A 117 2.195 7.761 2.451 1.00 0.00 H new ATOM 0 HA ALA A 117 4.890 6.738 3.095 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.766 9.015 2.849 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.163 8.375 1.302 1.00 0.00 H new ATOM 0 HB3 ALA A 117 4.192 9.554 2.216 1.00 0.00 H new ATOM 839 N LYS A 118 4.658 7.683 5.424 1.00 0.00 N ATOM 840 CA LYS A 118 4.392 8.021 6.824 1.00 0.00 C ATOM 841 C LYS A 118 3.756 9.401 6.968 1.00 0.00 C ATOM 842 O LYS A 118 4.157 10.352 6.299 1.00 0.00 O ATOM 843 CB LYS A 118 5.690 7.967 7.632 1.00 0.00 C ATOM 844 CG LYS A 118 6.306 6.580 7.703 1.00 0.00 C ATOM 845 CD LYS A 118 5.268 5.534 8.070 1.00 0.00 C ATOM 846 CE LYS A 118 5.884 4.149 8.181 1.00 0.00 C ATOM 847 NZ LYS A 118 6.455 3.902 9.534 1.00 0.00 N ATOM 0 H LYS A 118 5.540 7.195 5.271 1.00 0.00 H new ATOM 0 HA LYS A 118 3.685 7.286 7.208 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.412 8.654 7.190 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.493 8.320 8.644 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.754 6.329 6.742 1.00 0.00 H new ATOM 0 HG3 LYS A 118 7.109 6.573 8.440 1.00 0.00 H new ATOM 0 HD2 LYS A 118 4.800 5.802 9.017 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.480 5.523 7.317 1.00 0.00 H new ATOM 0 HE2 LYS A 118 5.126 3.396 7.964 1.00 0.00 H new ATOM 0 HE3 LYS A 118 6.667 4.039 7.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 6.865 2.947 9.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 7.196 4.605 9.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 5.703 3.982 10.248 1.00 0.00 H new ATOM 861 N ALA A 119 2.759 9.497 7.848 1.00 0.00 N ATOM 862 CA ALA A 119 2.063 10.764 8.090 1.00 0.00 C ATOM 863 C ALA A 119 2.975 11.765 8.796 1.00 0.00 C ATOM 864 O ALA A 119 2.629 12.298 9.850 1.00 0.00 O ATOM 865 CB ALA A 119 0.796 10.543 8.912 1.00 0.00 C ATOM 0 H ALA A 119 2.415 8.715 8.405 1.00 0.00 H new ATOM 0 HA ALA A 119 1.782 11.175 7.120 1.00 0.00 H new ATOM 0 HB1 ALA A 119 0.298 11.499 9.078 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.125 9.873 8.374 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.058 10.099 9.872 1.00 0.00 H new ATOM 871 N ASN A 120 4.140 12.016 8.210 1.00 0.00 N ATOM 872 CA ASN A 120 5.098 12.953 8.785 1.00 0.00 C ATOM 873 C ASN A 120 6.090 13.434 7.728 1.00 0.00 C ATOM 874 O ASN A 120 6.896 14.333 8.042 1.00 0.00 O ATOM 875 CB ASN A 120 5.848 12.299 9.948 1.00 0.00 C ATOM 876 CG ASN A 120 5.312 12.732 11.297 1.00 0.00 C ATOM 877 OD1 ASN A 120 4.781 13.833 11.443 1.00 0.00 O ATOM 878 ND2 ASN A 120 5.449 11.866 12.295 1.00 0.00 N ATOM 879 OXT ASN A 120 6.050 12.906 6.598 1.00 0.00 O ATOM 0 H ASN A 120 4.444 11.584 7.337 1.00 0.00 H new ATOM 0 HA ASN A 120 4.546 13.816 9.158 1.00 0.00 H new ATOM 0 HB2 ASN A 120 5.773 11.215 9.861 1.00 0.00 H new ATOM 0 HB3 ASN A 120 6.906 12.552 9.882 1.00 0.00 H new ATOM 0 HD21 ASN A 120 5.108 12.103 13.226 1.00 0.00 H new ATOM 0 HD22 ASN A 120 5.896 10.964 12.130 1.00 0.00 H new TER 886 ASN A 120