USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 418 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 94 ASN : amide:sc= -8.46! C(o=-14!,f=-26!) USER MOD Set 1.2: A 95 HIS : no HD1:sc= -5.17! C(o=-14!,f=-15!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0.0584 USER MOD Single : A 78 ASN : amide:sc= -0.251 X(o=-0.25,f=-0.25) USER MOD Single : A 79 THR OG1 : rot -124:sc= 1.14 USER MOD Single : A 81 SER OG : rot 126:sc= -1.35 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -118:sc= -0.274 (180deg=-0.453) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 100 CYS SG : rot 25:sc= -4.25! USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 THR OG1 : rot -150:sc= -2.28 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 108 GLN : amide:sc= -0.494 K(o=-0.49,f=-1.5) USER MOD Single : A 113 SER OG : rot -19:sc= 0.705 USER MOD Single : A 114 ASN : amide:sc= -0.0162 X(o=-0.016,f=-0.25) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.854 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 12 N LEU A 65 4.354 0.000 -2.025 1.00 1.00 N ATOM 13 CA LEU A 65 5.801 0.000 -1.899 1.00 1.00 C ATOM 14 C LEU A 65 6.317 1.438 -1.987 1.00 1.00 C ATOM 15 O LEU A 65 5.568 2.349 -2.337 1.00 1.00 O ATOM 16 CB LEU A 65 6.429 -0.943 -2.927 1.00 1.00 C ATOM 17 CG LEU A 65 6.241 -2.439 -2.668 1.00 1.00 C ATOM 18 CD1 LEU A 65 6.720 -2.817 -1.265 1.00 1.00 C ATOM 19 CD2 LEU A 65 4.790 -2.859 -2.912 1.00 1.00 C ATOM 0 HA LEU A 65 6.098 -0.386 -0.924 1.00 1.00 H new ATOM 0 HB2 LEU A 65 6.013 -0.709 -3.907 1.00 1.00 H new ATOM 0 HB3 LEU A 65 7.498 -0.735 -2.976 1.00 1.00 H new ATOM 0 HG LEU A 65 6.859 -2.989 -3.378 1.00 1.00 H new ATOM 0 HD11 LEU A 65 6.575 -3.886 -1.107 1.00 1.00 H new ATOM 0 HD12 LEU A 65 7.778 -2.575 -1.164 1.00 1.00 H new ATOM 0 HD13 LEU A 65 6.148 -2.260 -0.523 1.00 1.00 H new ATOM 0 HD21 LEU A 65 4.683 -3.927 -2.721 1.00 1.00 H new ATOM 0 HD22 LEU A 65 4.133 -2.303 -2.243 1.00 1.00 H new ATOM 0 HD23 LEU A 65 4.519 -2.647 -3.946 1.00 1.00 H new ATOM 31 N PHE A 66 7.592 1.597 -1.665 1.00 1.00 N ATOM 32 CA PHE A 66 8.216 2.908 -1.704 1.00 1.00 C ATOM 33 C PHE A 66 9.426 2.912 -2.640 1.00 1.00 C ATOM 34 O PHE A 66 10.005 1.862 -2.917 1.00 1.00 O ATOM 35 CB PHE A 66 8.686 3.222 -0.282 1.00 1.00 C ATOM 36 CG PHE A 66 7.738 2.725 0.811 1.00 1.00 C ATOM 37 CD1 PHE A 66 7.672 1.398 1.102 1.00 1.00 C ATOM 38 CD2 PHE A 66 6.961 3.610 1.492 1.00 1.00 C ATOM 39 CE1 PHE A 66 6.791 0.936 2.116 1.00 1.00 C ATOM 40 CE2 PHE A 66 6.081 3.148 2.506 1.00 1.00 C ATOM 41 CZ PHE A 66 6.014 1.821 2.797 1.00 1.00 C ATOM 0 H PHE A 66 8.210 0.839 -1.376 1.00 1.00 H new ATOM 0 HA PHE A 66 7.504 3.648 -2.071 1.00 1.00 H new ATOM 0 HB2 PHE A 66 9.668 2.775 -0.128 1.00 1.00 H new ATOM 0 HB3 PHE A 66 8.808 4.300 -0.180 1.00 1.00 H new ATOM 0 HD1 PHE A 66 8.290 0.695 0.562 1.00 1.00 H new ATOM 0 HD2 PHE A 66 7.014 4.664 1.261 1.00 1.00 H new ATOM 0 HE1 PHE A 66 6.738 -0.118 2.346 1.00 1.00 H new ATOM 0 HE2 PHE A 66 5.464 3.851 3.047 1.00 1.00 H new ATOM 0 HZ PHE A 66 5.344 1.470 3.568 1.00 1.00 H new ATOM 51 N VAL A 67 9.773 4.104 -3.102 1.00 1.00 N ATOM 52 CA VAL A 67 10.903 4.259 -4.002 1.00 1.00 C ATOM 53 C VAL A 67 11.976 5.114 -3.324 1.00 1.00 C ATOM 54 O VAL A 67 11.658 6.069 -2.618 1.00 1.00 O ATOM 55 CB VAL A 67 10.433 4.838 -5.338 1.00 1.00 C ATOM 56 CG1 VAL A 67 10.088 3.723 -6.327 1.00 1.00 C ATOM 57 CG2 VAL A 67 9.245 5.782 -5.139 1.00 1.00 C ATOM 0 H VAL A 67 9.291 4.972 -2.870 1.00 1.00 H new ATOM 0 HA VAL A 67 11.351 3.290 -4.223 1.00 1.00 H new ATOM 0 HB VAL A 67 11.254 5.418 -5.760 1.00 1.00 H new ATOM 0 HG11 VAL A 67 9.757 4.161 -7.268 1.00 1.00 H new ATOM 0 HG12 VAL A 67 10.970 3.108 -6.504 1.00 1.00 H new ATOM 0 HG13 VAL A 67 9.291 3.104 -5.914 1.00 1.00 H new ATOM 0 HG21 VAL A 67 8.931 6.180 -6.104 1.00 1.00 H new ATOM 0 HG22 VAL A 67 8.418 5.236 -4.685 1.00 1.00 H new ATOM 0 HG23 VAL A 67 9.539 6.604 -4.486 1.00 1.00 H new ATOM 67 N ALA A 68 13.224 4.740 -3.564 1.00 1.00 N ATOM 68 CA ALA A 68 14.345 5.460 -2.985 1.00 1.00 C ATOM 69 C ALA A 68 14.458 6.835 -3.647 1.00 1.00 C ATOM 70 O ALA A 68 14.311 6.957 -4.862 1.00 1.00 O ATOM 71 CB ALA A 68 15.621 4.631 -3.143 1.00 1.00 C ATOM 0 H ALA A 68 13.484 3.948 -4.152 1.00 1.00 H new ATOM 0 HA ALA A 68 14.189 5.619 -1.918 1.00 1.00 H new ATOM 0 HB1 ALA A 68 16.462 5.171 -2.709 1.00 1.00 H new ATOM 0 HB2 ALA A 68 15.500 3.676 -2.632 1.00 1.00 H new ATOM 0 HB3 ALA A 68 15.811 4.454 -4.202 1.00 1.00 H new ATOM 77 N LEU A 69 14.718 7.836 -2.818 1.00 1.00 N ATOM 78 CA LEU A 69 14.852 9.197 -3.307 1.00 1.00 C ATOM 79 C LEU A 69 16.333 9.510 -3.533 1.00 1.00 C ATOM 80 O LEU A 69 16.760 9.727 -4.666 1.00 1.00 O ATOM 81 CB LEU A 69 14.154 10.177 -2.362 1.00 1.00 C ATOM 82 CG LEU A 69 12.986 10.966 -2.958 1.00 1.00 C ATOM 83 CD1 LEU A 69 12.115 11.572 -1.856 1.00 1.00 C ATOM 84 CD2 LEU A 69 13.485 12.026 -3.942 1.00 1.00 C ATOM 0 H LEU A 69 14.839 7.731 -1.811 1.00 1.00 H new ATOM 0 HA LEU A 69 14.352 9.307 -4.269 1.00 1.00 H new ATOM 0 HB2 LEU A 69 13.788 9.621 -1.499 1.00 1.00 H new ATOM 0 HB3 LEU A 69 14.895 10.886 -1.993 1.00 1.00 H new ATOM 0 HG LEU A 69 12.359 10.275 -3.521 1.00 1.00 H new ATOM 0 HD11 LEU A 69 11.292 12.127 -2.307 1.00 1.00 H new ATOM 0 HD12 LEU A 69 11.715 10.775 -1.229 1.00 1.00 H new ATOM 0 HD13 LEU A 69 12.717 12.246 -1.246 1.00 1.00 H new ATOM 0 HD21 LEU A 69 12.635 12.572 -4.351 1.00 1.00 H new ATOM 0 HD22 LEU A 69 14.147 12.720 -3.424 1.00 1.00 H new ATOM 0 HD23 LEU A 69 14.029 11.542 -4.753 1.00 1.00 H new ATOM 96 N TYR A 70 17.076 9.523 -2.436 1.00 1.00 N ATOM 97 CA TYR A 70 18.500 9.805 -2.500 1.00 1.00 C ATOM 98 C TYR A 70 19.322 8.536 -2.264 1.00 1.00 C ATOM 99 O TYR A 70 18.765 7.472 -1.998 1.00 1.00 O ATOM 100 CB TYR A 70 18.784 10.799 -1.372 1.00 1.00 C ATOM 101 CG TYR A 70 18.507 12.257 -1.744 1.00 1.00 C ATOM 102 CD1 TYR A 70 19.348 12.919 -2.615 1.00 1.00 C ATOM 103 CD2 TYR A 70 17.416 12.911 -1.207 1.00 1.00 C ATOM 104 CE1 TYR A 70 19.087 14.292 -2.965 1.00 1.00 C ATOM 105 CE2 TYR A 70 17.156 14.283 -1.557 1.00 1.00 C ATOM 106 CZ TYR A 70 18.004 14.906 -2.418 1.00 1.00 C ATOM 107 OH TYR A 70 17.757 16.202 -2.749 1.00 1.00 O ATOM 0 H TYR A 70 16.719 9.343 -1.498 1.00 1.00 H new ATOM 0 HA TYR A 70 18.770 10.197 -3.481 1.00 1.00 H new ATOM 0 HB2 TYR A 70 18.177 10.534 -0.506 1.00 1.00 H new ATOM 0 HB3 TYR A 70 19.827 10.703 -1.071 1.00 1.00 H new ATOM 0 HD1 TYR A 70 20.202 12.408 -3.034 1.00 1.00 H new ATOM 0 HD2 TYR A 70 16.758 12.394 -0.525 1.00 1.00 H new ATOM 0 HE1 TYR A 70 19.737 14.821 -3.646 1.00 1.00 H new ATOM 0 HE2 TYR A 70 16.306 14.806 -1.145 1.00 1.00 H new ATOM 0 HH TYR A 70 16.951 16.510 -2.285 1.00 1.00 H new ATOM 117 N ASP A 71 20.633 8.691 -2.370 1.00 1.00 N ATOM 118 CA ASP A 71 21.537 7.571 -2.172 1.00 1.00 C ATOM 119 C ASP A 71 22.122 7.637 -0.760 1.00 1.00 C ATOM 120 O ASP A 71 21.913 8.614 -0.042 1.00 1.00 O ATOM 121 CB ASP A 71 22.699 7.617 -3.167 1.00 1.00 C ATOM 122 CG ASP A 71 23.314 9.002 -3.378 1.00 1.00 C ATOM 123 OD1 ASP A 71 22.767 9.744 -4.222 1.00 1.00 O ATOM 124 OD2 ASP A 71 24.318 9.288 -2.689 1.00 1.00 O ATOM 0 H ASP A 71 21.091 9.575 -2.590 1.00 1.00 H new ATOM 0 HA ASP A 71 20.971 6.651 -2.321 1.00 1.00 H new ATOM 0 HB2 ASP A 71 23.479 6.938 -2.823 1.00 1.00 H new ATOM 0 HB3 ASP A 71 22.350 7.241 -4.128 1.00 1.00 H new ATOM 129 N PHE A 72 22.842 6.584 -0.402 1.00 1.00 N ATOM 130 CA PHE A 72 23.458 6.510 0.912 1.00 1.00 C ATOM 131 C PHE A 72 24.983 6.593 0.808 1.00 1.00 C ATOM 132 O PHE A 72 25.552 6.332 -0.250 1.00 1.00 O ATOM 133 CB PHE A 72 23.073 5.156 1.511 1.00 1.00 C ATOM 134 CG PHE A 72 23.377 5.027 3.005 1.00 1.00 C ATOM 135 CD1 PHE A 72 24.659 4.855 3.425 1.00 1.00 C ATOM 136 CD2 PHE A 72 22.366 5.084 3.912 1.00 1.00 C ATOM 137 CE1 PHE A 72 24.941 4.735 4.812 1.00 1.00 C ATOM 138 CE2 PHE A 72 22.648 4.964 5.298 1.00 1.00 C ATOM 139 CZ PHE A 72 23.930 4.792 5.719 1.00 1.00 C ATOM 0 H PHE A 72 23.013 5.775 -0.999 1.00 1.00 H new ATOM 0 HA PHE A 72 23.117 7.340 1.530 1.00 1.00 H new ATOM 0 HB2 PHE A 72 22.008 4.990 1.352 1.00 1.00 H new ATOM 0 HB3 PHE A 72 23.602 4.369 0.974 1.00 1.00 H new ATOM 0 HD1 PHE A 72 25.462 4.810 2.704 1.00 1.00 H new ATOM 0 HD2 PHE A 72 21.348 5.221 3.578 1.00 1.00 H new ATOM 0 HE1 PHE A 72 25.959 4.598 5.146 1.00 1.00 H new ATOM 0 HE2 PHE A 72 21.845 5.009 6.018 1.00 1.00 H new ATOM 0 HZ PHE A 72 24.145 4.701 6.774 1.00 1.00 H new ATOM 149 N VAL A 73 25.600 6.958 1.922 1.00 1.00 N ATOM 150 CA VAL A 73 27.047 7.080 1.970 1.00 1.00 C ATOM 151 C VAL A 73 27.610 6.045 2.947 1.00 1.00 C ATOM 152 O VAL A 73 27.348 6.112 4.147 1.00 1.00 O ATOM 153 CB VAL A 73 27.441 8.514 2.328 1.00 1.00 C ATOM 154 CG1 VAL A 73 27.015 8.860 3.756 1.00 1.00 C ATOM 155 CG2 VAL A 73 28.942 8.736 2.135 1.00 1.00 C ATOM 0 H VAL A 73 25.124 7.173 2.798 1.00 1.00 H new ATOM 0 HA VAL A 73 27.479 6.873 0.991 1.00 1.00 H new ATOM 0 HB VAL A 73 26.914 9.184 1.649 1.00 1.00 H new ATOM 0 HG11 VAL A 73 27.307 9.885 3.985 1.00 1.00 H new ATOM 0 HG12 VAL A 73 25.933 8.762 3.847 1.00 1.00 H new ATOM 0 HG13 VAL A 73 27.501 8.180 4.456 1.00 1.00 H new ATOM 0 HG21 VAL A 73 29.194 9.764 2.397 1.00 1.00 H new ATOM 0 HG22 VAL A 73 29.497 8.051 2.777 1.00 1.00 H new ATOM 0 HG23 VAL A 73 29.206 8.551 1.094 1.00 1.00 H new ATOM 165 N ALA A 74 28.371 5.111 2.396 1.00 1.00 N ATOM 166 CA ALA A 74 28.973 4.063 3.203 1.00 1.00 C ATOM 167 C ALA A 74 29.577 4.682 4.465 1.00 1.00 C ATOM 168 O ALA A 74 30.401 5.591 4.381 1.00 1.00 O ATOM 169 CB ALA A 74 30.010 3.308 2.369 1.00 1.00 C ATOM 0 H ALA A 74 28.585 5.058 1.400 1.00 1.00 H new ATOM 0 HA ALA A 74 28.220 3.340 3.518 1.00 1.00 H new ATOM 0 HB1 ALA A 74 30.461 2.522 2.974 1.00 1.00 H new ATOM 0 HB2 ALA A 74 29.524 2.863 1.500 1.00 1.00 H new ATOM 0 HB3 ALA A 74 30.784 4.000 2.037 1.00 1.00 H new ATOM 175 N SER A 75 29.145 4.163 5.605 1.00 1.00 N ATOM 176 CA SER A 75 29.634 4.653 6.883 1.00 1.00 C ATOM 177 C SER A 75 29.617 3.525 7.917 1.00 1.00 C ATOM 178 O SER A 75 30.668 3.094 8.388 1.00 1.00 O ATOM 179 CB SER A 75 28.799 5.837 7.375 1.00 1.00 C ATOM 180 OG SER A 75 27.408 5.529 7.415 1.00 1.00 O ATOM 0 H SER A 75 28.462 3.408 5.670 1.00 1.00 H new ATOM 0 HA SER A 75 30.659 4.998 6.748 1.00 1.00 H new ATOM 0 HB2 SER A 75 29.135 6.129 8.370 1.00 1.00 H new ATOM 0 HB3 SER A 75 28.962 6.693 6.720 1.00 1.00 H new ATOM 0 HG SER A 75 26.909 6.309 7.735 1.00 1.00 H new ATOM 186 N GLY A 76 28.411 3.080 8.240 1.00 1.00 N ATOM 187 CA GLY A 76 28.243 2.010 9.209 1.00 1.00 C ATOM 188 C GLY A 76 28.445 0.641 8.556 1.00 1.00 C ATOM 189 O GLY A 76 28.781 0.556 7.376 1.00 1.00 O ATOM 0 H GLY A 76 27.541 3.441 7.848 1.00 1.00 H new ATOM 0 HA2 GLY A 76 28.956 2.137 10.023 1.00 1.00 H new ATOM 0 HA3 GLY A 76 27.246 2.064 9.647 1.00 1.00 H new ATOM 193 N ASP A 77 28.232 -0.396 9.352 1.00 1.00 N ATOM 194 CA ASP A 77 28.386 -1.756 8.866 1.00 1.00 C ATOM 195 C ASP A 77 27.007 -2.339 8.548 1.00 1.00 C ATOM 196 O ASP A 77 26.758 -2.777 7.426 1.00 1.00 O ATOM 197 CB ASP A 77 29.043 -2.647 9.922 1.00 1.00 C ATOM 198 CG ASP A 77 29.675 -3.931 9.382 1.00 1.00 C ATOM 199 OD1 ASP A 77 28.942 -4.683 8.704 1.00 1.00 O ATOM 200 OD2 ASP A 77 30.877 -4.133 9.660 1.00 1.00 O ATOM 0 H ASP A 77 27.954 -0.322 10.331 1.00 1.00 H new ATOM 0 HA ASP A 77 29.015 -1.727 7.976 1.00 1.00 H new ATOM 0 HB2 ASP A 77 29.812 -2.070 10.436 1.00 1.00 H new ATOM 0 HB3 ASP A 77 28.294 -2.914 10.667 1.00 1.00 H new ATOM 205 N ASN A 78 26.147 -2.325 9.556 1.00 1.00 N ATOM 206 CA ASN A 78 24.800 -2.846 9.398 1.00 1.00 C ATOM 207 C ASN A 78 24.055 -2.013 8.353 1.00 1.00 C ATOM 208 O ASN A 78 22.997 -2.415 7.873 1.00 1.00 O ATOM 209 CB ASN A 78 24.020 -2.764 10.712 1.00 1.00 C ATOM 210 CG ASN A 78 24.908 -3.137 11.901 1.00 1.00 C ATOM 211 OD1 ASN A 78 25.224 -2.322 12.752 1.00 1.00 O ATOM 212 ND2 ASN A 78 25.291 -4.411 11.911 1.00 1.00 N ATOM 0 H ASN A 78 26.357 -1.961 10.485 1.00 1.00 H new ATOM 0 HA ASN A 78 24.876 -3.888 9.088 1.00 1.00 H new ATOM 0 HB2 ASN A 78 23.632 -1.754 10.846 1.00 1.00 H new ATOM 0 HB3 ASN A 78 23.161 -3.433 10.671 1.00 1.00 H new ATOM 0 HD21 ASN A 78 25.886 -4.759 12.663 1.00 1.00 H new ATOM 0 HD22 ASN A 78 24.990 -5.040 11.167 1.00 1.00 H new ATOM 219 N THR A 79 24.637 -0.867 8.032 1.00 1.00 N ATOM 220 CA THR A 79 24.041 0.027 7.053 1.00 1.00 C ATOM 221 C THR A 79 24.129 -0.582 5.652 1.00 1.00 C ATOM 222 O THR A 79 24.780 -1.608 5.457 1.00 1.00 O ATOM 223 CB THR A 79 24.734 1.386 7.170 1.00 1.00 C ATOM 224 OG1 THR A 79 23.694 2.272 7.575 1.00 1.00 O ATOM 225 CG2 THR A 79 25.182 1.933 5.813 1.00 1.00 C ATOM 0 H THR A 79 25.515 -0.537 8.432 1.00 1.00 H new ATOM 0 HA THR A 79 22.978 0.171 7.244 1.00 1.00 H new ATOM 0 HB THR A 79 25.598 1.298 7.829 1.00 1.00 H new ATOM 0 HG1 THR A 79 23.628 3.013 6.937 1.00 1.00 H new ATOM 0 HG21 THR A 79 25.668 2.899 5.952 1.00 1.00 H new ATOM 0 HG22 THR A 79 25.884 1.237 5.354 1.00 1.00 H new ATOM 0 HG23 THR A 79 24.314 2.054 5.165 1.00 1.00 H new ATOM 233 N LEU A 80 23.465 0.076 4.713 1.00 1.00 N ATOM 234 CA LEU A 80 23.461 -0.388 3.336 1.00 1.00 C ATOM 235 C LEU A 80 23.681 0.803 2.401 1.00 1.00 C ATOM 236 O LEU A 80 22.871 1.728 2.366 1.00 1.00 O ATOM 237 CB LEU A 80 22.182 -1.174 3.040 1.00 1.00 C ATOM 238 CG LEU A 80 22.293 -2.252 1.959 1.00 1.00 C ATOM 239 CD1 LEU A 80 20.930 -2.886 1.676 1.00 1.00 C ATOM 240 CD2 LEU A 80 22.938 -1.691 0.690 1.00 1.00 C ATOM 0 H LEU A 80 22.926 0.926 4.879 1.00 1.00 H new ATOM 0 HA LEU A 80 24.282 -1.084 3.165 1.00 1.00 H new ATOM 0 HB2 LEU A 80 21.847 -1.646 3.964 1.00 1.00 H new ATOM 0 HB3 LEU A 80 21.406 -0.469 2.744 1.00 1.00 H new ATOM 0 HG LEU A 80 22.946 -3.042 2.330 1.00 1.00 H new ATOM 0 HD11 LEU A 80 21.037 -3.648 0.904 1.00 1.00 H new ATOM 0 HD12 LEU A 80 20.545 -3.343 2.587 1.00 1.00 H new ATOM 0 HD13 LEU A 80 20.236 -2.118 1.334 1.00 1.00 H new ATOM 0 HD21 LEU A 80 23.005 -2.477 -0.062 1.00 1.00 H new ATOM 0 HD22 LEU A 80 22.331 -0.871 0.305 1.00 1.00 H new ATOM 0 HD23 LEU A 80 23.938 -1.324 0.922 1.00 1.00 H new ATOM 252 N SER A 81 24.781 0.741 1.665 1.00 1.00 N ATOM 253 CA SER A 81 25.118 1.803 0.732 1.00 1.00 C ATOM 254 C SER A 81 24.498 1.513 -0.636 1.00 1.00 C ATOM 255 O SER A 81 24.920 0.588 -1.330 1.00 1.00 O ATOM 256 CB SER A 81 26.634 1.963 0.605 1.00 1.00 C ATOM 257 OG SER A 81 27.262 2.130 1.873 1.00 1.00 O ATOM 0 H SER A 81 25.450 -0.028 1.696 1.00 1.00 H new ATOM 0 HA SER A 81 24.712 2.739 1.117 1.00 1.00 H new ATOM 0 HB2 SER A 81 27.050 1.087 0.107 1.00 1.00 H new ATOM 0 HB3 SER A 81 26.856 2.824 -0.026 1.00 1.00 H new ATOM 0 HG SER A 81 27.972 1.462 1.977 1.00 1.00 H new ATOM 263 N ILE A 82 23.507 2.320 -0.984 1.00 1.00 N ATOM 264 CA ILE A 82 22.825 2.162 -2.258 1.00 1.00 C ATOM 265 C ILE A 82 23.067 3.403 -3.119 1.00 1.00 C ATOM 266 O ILE A 82 23.698 4.360 -2.671 1.00 1.00 O ATOM 267 CB ILE A 82 21.344 1.846 -2.037 1.00 1.00 C ATOM 268 CG1 ILE A 82 21.063 1.539 -0.564 1.00 1.00 C ATOM 269 CG2 ILE A 82 20.882 0.714 -2.956 1.00 1.00 C ATOM 270 CD1 ILE A 82 20.791 2.824 0.221 1.00 1.00 C ATOM 0 H ILE A 82 23.160 3.085 -0.406 1.00 1.00 H new ATOM 0 HA ILE A 82 23.231 1.311 -2.804 1.00 1.00 H new ATOM 0 HB ILE A 82 20.763 2.731 -2.299 1.00 1.00 H new ATOM 0 HG12 ILE A 82 20.205 0.872 -0.485 1.00 1.00 H new ATOM 0 HG13 ILE A 82 21.915 1.016 -0.129 1.00 1.00 H new ATOM 0 HG21 ILE A 82 19.826 0.509 -2.779 1.00 1.00 H new ATOM 0 HG22 ILE A 82 21.025 1.008 -3.996 1.00 1.00 H new ATOM 0 HG23 ILE A 82 21.465 -0.183 -2.749 1.00 1.00 H new ATOM 0 HD11 ILE A 82 20.594 2.578 1.265 1.00 1.00 H new ATOM 0 HD12 ILE A 82 21.660 3.479 0.160 1.00 1.00 H new ATOM 0 HD13 ILE A 82 19.924 3.332 -0.202 1.00 1.00 H new ATOM 282 N THR A 83 22.552 3.348 -4.338 1.00 1.00 N ATOM 283 CA THR A 83 22.705 4.456 -5.266 1.00 1.00 C ATOM 284 C THR A 83 21.335 5.003 -5.673 1.00 1.00 C ATOM 285 O THR A 83 20.342 4.277 -5.654 1.00 1.00 O ATOM 286 CB THR A 83 23.541 3.968 -6.451 1.00 1.00 C ATOM 287 OG1 THR A 83 24.471 3.059 -5.869 1.00 1.00 O ATOM 288 CG2 THR A 83 24.420 5.074 -7.041 1.00 1.00 C ATOM 0 H THR A 83 22.028 2.553 -4.705 1.00 1.00 H new ATOM 0 HA THR A 83 23.229 5.292 -4.802 1.00 1.00 H new ATOM 0 HB THR A 83 22.881 3.577 -7.225 1.00 1.00 H new ATOM 0 HG1 THR A 83 25.052 2.693 -6.568 1.00 1.00 H new ATOM 0 HG21 THR A 83 24.993 4.676 -7.879 1.00 1.00 H new ATOM 0 HG22 THR A 83 23.790 5.893 -7.389 1.00 1.00 H new ATOM 0 HG23 THR A 83 25.104 5.442 -6.276 1.00 1.00 H new ATOM 296 N LYS A 84 21.326 6.278 -6.031 1.00 1.00 N ATOM 297 CA LYS A 84 20.094 6.931 -6.442 1.00 1.00 C ATOM 298 C LYS A 84 19.560 6.253 -7.705 1.00 1.00 C ATOM 299 O LYS A 84 20.146 5.286 -8.191 1.00 1.00 O ATOM 300 CB LYS A 84 20.312 8.437 -6.598 1.00 1.00 C ATOM 301 CG LYS A 84 21.030 8.754 -7.912 1.00 1.00 C ATOM 302 CD LYS A 84 20.230 9.759 -8.744 1.00 1.00 C ATOM 303 CE LYS A 84 19.440 9.051 -9.847 1.00 1.00 C ATOM 304 NZ LYS A 84 19.601 9.760 -11.136 1.00 1.00 N ATOM 0 H LYS A 84 22.152 6.877 -6.045 1.00 1.00 H new ATOM 0 HA LYS A 84 19.330 6.821 -5.673 1.00 1.00 H new ATOM 0 HB2 LYS A 84 19.352 8.952 -6.571 1.00 1.00 H new ATOM 0 HB3 LYS A 84 20.899 8.812 -5.759 1.00 1.00 H new ATOM 0 HG2 LYS A 84 22.021 9.157 -7.701 1.00 1.00 H new ATOM 0 HG3 LYS A 84 21.174 7.837 -8.483 1.00 1.00 H new ATOM 0 HD2 LYS A 84 19.546 10.309 -8.098 1.00 1.00 H new ATOM 0 HD3 LYS A 84 20.906 10.490 -9.188 1.00 1.00 H new ATOM 0 HE2 LYS A 84 19.785 8.022 -9.946 1.00 1.00 H new ATOM 0 HE3 LYS A 84 18.385 9.009 -9.577 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 19.059 9.267 -11.874 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 19.251 10.735 -11.042 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 20.607 9.778 -11.399 1.00 1.00 H new ATOM 318 N GLY A 85 18.453 6.787 -8.202 1.00 1.00 N ATOM 319 CA GLY A 85 17.833 6.245 -9.399 1.00 1.00 C ATOM 320 C GLY A 85 17.963 4.721 -9.443 1.00 1.00 C ATOM 321 O GLY A 85 18.076 4.135 -10.518 1.00 1.00 O ATOM 0 H GLY A 85 17.970 7.589 -7.797 1.00 1.00 H new ATOM 0 HA2 GLY A 85 16.780 6.524 -9.425 1.00 1.00 H new ATOM 0 HA3 GLY A 85 18.300 6.679 -10.283 1.00 1.00 H new ATOM 325 N GLU A 86 17.942 4.124 -8.260 1.00 1.00 N ATOM 326 CA GLU A 86 18.055 2.679 -8.150 1.00 1.00 C ATOM 327 C GLU A 86 16.697 2.064 -7.808 1.00 1.00 C ATOM 328 O GLU A 86 15.767 2.776 -7.429 1.00 1.00 O ATOM 329 CB GLU A 86 19.110 2.290 -7.112 1.00 1.00 C ATOM 330 CG GLU A 86 19.401 0.789 -7.163 1.00 1.00 C ATOM 331 CD GLU A 86 20.783 0.479 -6.584 1.00 1.00 C ATOM 332 OE1 GLU A 86 21.773 0.775 -7.288 1.00 1.00 O ATOM 333 OE2 GLU A 86 20.819 -0.048 -5.451 1.00 1.00 O ATOM 0 H GLU A 86 17.849 4.614 -7.370 1.00 1.00 H new ATOM 0 HA GLU A 86 18.377 2.285 -9.114 1.00 1.00 H new ATOM 0 HB2 GLU A 86 20.028 2.849 -7.294 1.00 1.00 H new ATOM 0 HB3 GLU A 86 18.763 2.563 -6.115 1.00 1.00 H new ATOM 0 HG2 GLU A 86 18.638 0.248 -6.603 1.00 1.00 H new ATOM 0 HG3 GLU A 86 19.348 0.439 -8.194 1.00 1.00 H new ATOM 340 N LYS A 87 16.625 0.749 -7.953 1.00 1.00 N ATOM 341 CA LYS A 87 15.395 0.031 -7.665 1.00 1.00 C ATOM 342 C LYS A 87 15.399 -0.410 -6.199 1.00 1.00 C ATOM 343 O LYS A 87 15.484 -1.601 -5.906 1.00 1.00 O ATOM 344 CB LYS A 87 15.203 -1.121 -8.652 1.00 1.00 C ATOM 345 CG LYS A 87 16.551 -1.635 -9.165 1.00 1.00 C ATOM 346 CD LYS A 87 16.387 -2.971 -9.892 1.00 1.00 C ATOM 347 CE LYS A 87 17.677 -3.362 -10.616 1.00 1.00 C ATOM 348 NZ LYS A 87 18.510 -4.234 -9.757 1.00 1.00 N ATOM 0 H LYS A 87 17.398 0.162 -8.266 1.00 1.00 H new ATOM 0 HA LYS A 87 14.532 0.683 -7.801 1.00 1.00 H new ATOM 0 HB2 LYS A 87 14.661 -1.933 -8.168 1.00 1.00 H new ATOM 0 HB3 LYS A 87 14.594 -0.787 -9.492 1.00 1.00 H new ATOM 0 HG2 LYS A 87 16.991 -0.901 -9.840 1.00 1.00 H new ATOM 0 HG3 LYS A 87 17.241 -1.754 -8.330 1.00 1.00 H new ATOM 0 HD2 LYS A 87 16.117 -3.748 -9.177 1.00 1.00 H new ATOM 0 HD3 LYS A 87 15.570 -2.901 -10.610 1.00 1.00 H new ATOM 0 HE2 LYS A 87 17.437 -3.879 -11.545 1.00 1.00 H new ATOM 0 HE3 LYS A 87 18.236 -2.466 -10.885 1.00 1.00 H new ATOM 0 HZ1 LYS A 87 19.417 -3.765 -9.562 1.00 1.00 H new ATOM 0 HZ2 LYS A 87 18.014 -4.415 -8.861 1.00 1.00 H new ATOM 0 HZ3 LYS A 87 18.685 -5.136 -10.244 1.00 1.00 H new ATOM 362 N LEU A 88 15.307 0.576 -5.318 1.00 1.00 N ATOM 363 CA LEU A 88 15.299 0.305 -3.891 1.00 1.00 C ATOM 364 C LEU A 88 13.915 0.626 -3.323 1.00 1.00 C ATOM 365 O LEU A 88 13.426 1.745 -3.466 1.00 1.00 O ATOM 366 CB LEU A 88 16.438 1.054 -3.197 1.00 1.00 C ATOM 367 CG LEU A 88 16.358 1.132 -1.671 1.00 1.00 C ATOM 368 CD1 LEU A 88 17.666 1.659 -1.079 1.00 1.00 C ATOM 369 CD2 LEU A 88 15.152 1.964 -1.227 1.00 1.00 C ATOM 0 H LEU A 88 15.237 1.563 -5.565 1.00 1.00 H new ATOM 0 HA LEU A 88 15.483 -0.753 -3.703 1.00 1.00 H new ATOM 0 HB2 LEU A 88 17.379 0.575 -3.468 1.00 1.00 H new ATOM 0 HB3 LEU A 88 16.472 2.070 -3.592 1.00 1.00 H new ATOM 0 HG LEU A 88 16.214 0.123 -1.285 1.00 1.00 H new ATOM 0 HD11 LEU A 88 17.582 1.704 0.007 1.00 1.00 H new ATOM 0 HD12 LEU A 88 18.484 0.992 -1.352 1.00 1.00 H new ATOM 0 HD13 LEU A 88 17.866 2.657 -1.469 1.00 1.00 H new ATOM 0 HD21 LEU A 88 15.118 2.004 -0.138 1.00 1.00 H new ATOM 0 HD22 LEU A 88 15.241 2.975 -1.624 1.00 1.00 H new ATOM 0 HD23 LEU A 88 14.236 1.506 -1.602 1.00 1.00 H new ATOM 381 N ARG A 89 13.323 -0.376 -2.689 1.00 1.00 N ATOM 382 CA ARG A 89 12.005 -0.214 -2.099 1.00 1.00 C ATOM 383 C ARG A 89 11.974 -0.821 -0.695 1.00 1.00 C ATOM 384 O ARG A 89 12.622 -1.835 -0.439 1.00 1.00 O ATOM 385 CB ARG A 89 10.930 -0.881 -2.960 1.00 1.00 C ATOM 386 CG ARG A 89 11.142 -0.567 -4.442 1.00 1.00 C ATOM 387 CD ARG A 89 10.387 -1.561 -5.326 1.00 1.00 C ATOM 388 NE ARG A 89 9.165 -0.928 -5.870 1.00 1.00 N ATOM 389 CZ ARG A 89 8.419 -1.454 -6.852 1.00 1.00 C ATOM 390 NH1 ARG A 89 8.767 -2.625 -7.403 1.00 1.00 N ATOM 391 NH2 ARG A 89 7.326 -0.809 -7.282 1.00 1.00 N ATOM 0 H ARG A 89 13.732 -1.303 -2.571 1.00 1.00 H new ATOM 0 HA ARG A 89 11.796 0.854 -2.041 1.00 1.00 H new ATOM 0 HB2 ARG A 89 10.953 -1.960 -2.806 1.00 1.00 H new ATOM 0 HB3 ARG A 89 9.944 -0.536 -2.649 1.00 1.00 H new ATOM 0 HG2 ARG A 89 10.802 0.446 -4.655 1.00 1.00 H new ATOM 0 HG3 ARG A 89 12.206 -0.602 -4.676 1.00 1.00 H new ATOM 0 HD2 ARG A 89 11.028 -1.894 -6.142 1.00 1.00 H new ATOM 0 HD3 ARG A 89 10.121 -2.446 -4.748 1.00 1.00 H new ATOM 0 HE ARG A 89 8.872 -0.035 -5.473 1.00 1.00 H new ATOM 0 HH11 ARG A 89 9.599 -3.116 -7.075 1.00 1.00 H new ATOM 0 HH12 ARG A 89 8.200 -3.026 -8.150 1.00 1.00 H new ATOM 0 HH21 ARG A 89 7.062 0.082 -6.862 1.00 1.00 H new ATOM 0 HH22 ARG A 89 6.759 -1.209 -8.029 1.00 1.00 H new ATOM 405 N VAL A 90 11.215 -0.176 0.178 1.00 1.00 N ATOM 406 CA VAL A 90 11.091 -0.639 1.549 1.00 1.00 C ATOM 407 C VAL A 90 10.185 -1.872 1.586 1.00 1.00 C ATOM 408 O VAL A 90 9.003 -1.788 1.258 1.00 1.00 O ATOM 409 CB VAL A 90 10.590 0.497 2.443 1.00 1.00 C ATOM 410 CG1 VAL A 90 9.878 -0.052 3.681 1.00 1.00 C ATOM 411 CG2 VAL A 90 11.737 1.429 2.838 1.00 1.00 C ATOM 0 H VAL A 90 10.679 0.665 -0.038 1.00 1.00 H new ATOM 0 HA VAL A 90 12.064 -0.937 1.940 1.00 1.00 H new ATOM 0 HB VAL A 90 9.867 1.079 1.872 1.00 1.00 H new ATOM 0 HG11 VAL A 90 9.532 0.776 4.299 1.00 1.00 H new ATOM 0 HG12 VAL A 90 9.024 -0.655 3.372 1.00 1.00 H new ATOM 0 HG13 VAL A 90 10.570 -0.669 4.255 1.00 1.00 H new ATOM 0 HG21 VAL A 90 11.354 2.228 3.473 1.00 1.00 H new ATOM 0 HG22 VAL A 90 12.494 0.864 3.382 1.00 1.00 H new ATOM 0 HG23 VAL A 90 12.181 1.860 1.941 1.00 1.00 H new ATOM 421 N LEU A 91 10.775 -2.988 1.989 1.00 1.00 N ATOM 422 CA LEU A 91 10.036 -4.236 2.074 1.00 1.00 C ATOM 423 C LEU A 91 9.965 -4.684 3.535 1.00 1.00 C ATOM 424 O LEU A 91 9.512 -5.789 3.828 1.00 1.00 O ATOM 425 CB LEU A 91 10.644 -5.283 1.139 1.00 1.00 C ATOM 426 CG LEU A 91 9.844 -5.599 -0.126 1.00 1.00 C ATOM 427 CD1 LEU A 91 10.681 -6.412 -1.116 1.00 1.00 C ATOM 428 CD2 LEU A 91 8.527 -6.297 0.219 1.00 1.00 C ATOM 0 H LEU A 91 11.756 -3.054 2.260 1.00 1.00 H new ATOM 0 HA LEU A 91 9.010 -4.095 1.734 1.00 1.00 H new ATOM 0 HB2 LEU A 91 11.636 -4.943 0.842 1.00 1.00 H new ATOM 0 HB3 LEU A 91 10.779 -6.208 1.700 1.00 1.00 H new ATOM 0 HG LEU A 91 9.592 -4.658 -0.615 1.00 1.00 H new ATOM 0 HD11 LEU A 91 10.088 -6.623 -2.006 1.00 1.00 H new ATOM 0 HD12 LEU A 91 11.567 -5.843 -1.397 1.00 1.00 H new ATOM 0 HD13 LEU A 91 10.984 -7.350 -0.651 1.00 1.00 H new ATOM 0 HD21 LEU A 91 7.977 -6.511 -0.698 1.00 1.00 H new ATOM 0 HD22 LEU A 91 8.736 -7.230 0.743 1.00 1.00 H new ATOM 0 HD23 LEU A 91 7.928 -5.648 0.858 1.00 1.00 H new ATOM 440 N GLY A 92 10.419 -3.802 4.414 1.00 1.00 N ATOM 441 CA GLY A 92 10.412 -4.093 5.837 1.00 1.00 C ATOM 442 C GLY A 92 10.169 -2.823 6.655 1.00 1.00 C ATOM 443 O GLY A 92 10.523 -1.726 6.225 1.00 1.00 O ATOM 0 H GLY A 92 10.794 -2.886 4.168 1.00 1.00 H new ATOM 0 HA2 GLY A 92 9.636 -4.826 6.058 1.00 1.00 H new ATOM 0 HA3 GLY A 92 11.364 -4.539 6.125 1.00 1.00 H new ATOM 447 N TYR A 93 9.567 -3.013 7.819 1.00 1.00 N ATOM 448 CA TYR A 93 9.272 -1.896 8.701 1.00 1.00 C ATOM 449 C TYR A 93 9.460 -2.291 10.167 1.00 1.00 C ATOM 450 O TYR A 93 9.176 -3.425 10.550 1.00 1.00 O ATOM 451 CB TYR A 93 7.802 -1.548 8.464 1.00 1.00 C ATOM 452 CG TYR A 93 7.581 -0.156 7.868 1.00 1.00 C ATOM 453 CD1 TYR A 93 7.600 0.019 6.499 1.00 1.00 C ATOM 454 CD2 TYR A 93 7.362 0.924 8.699 1.00 1.00 C ATOM 455 CE1 TYR A 93 7.392 1.329 5.938 1.00 1.00 C ATOM 456 CE2 TYR A 93 7.154 2.234 8.138 1.00 1.00 C ATOM 457 CZ TYR A 93 7.179 2.372 6.785 1.00 1.00 C ATOM 458 OH TYR A 93 6.983 3.609 6.255 1.00 1.00 O ATOM 0 H TYR A 93 9.275 -3.924 8.173 1.00 1.00 H new ATOM 0 HA TYR A 93 9.938 -1.058 8.495 1.00 1.00 H new ATOM 0 HB2 TYR A 93 7.366 -2.291 7.796 1.00 1.00 H new ATOM 0 HB3 TYR A 93 7.266 -1.616 9.411 1.00 1.00 H new ATOM 0 HD1 TYR A 93 7.771 -0.826 5.849 1.00 1.00 H new ATOM 0 HD2 TYR A 93 7.347 0.787 9.770 1.00 1.00 H new ATOM 0 HE1 TYR A 93 7.405 1.480 4.869 1.00 1.00 H new ATOM 0 HE2 TYR A 93 6.982 3.087 8.777 1.00 1.00 H new ATOM 0 HH TYR A 93 6.842 4.256 6.978 1.00 1.00 H new ATOM 468 N ASN A 94 9.937 -1.334 10.949 1.00 1.00 N ATOM 469 CA ASN A 94 10.166 -1.567 12.364 1.00 1.00 C ATOM 470 C ASN A 94 8.865 -1.330 13.133 1.00 1.00 C ATOM 471 O ASN A 94 7.865 -0.907 12.553 1.00 1.00 O ATOM 472 CB ASN A 94 11.223 -0.609 12.917 1.00 1.00 C ATOM 473 CG ASN A 94 10.571 0.542 13.686 1.00 1.00 C ATOM 474 OD1 ASN A 94 10.262 0.441 14.862 1.00 1.00 O ATOM 475 ND2 ASN A 94 10.381 1.639 12.959 1.00 1.00 N ATOM 0 H ASN A 94 10.171 -0.394 10.629 1.00 1.00 H new ATOM 0 HA ASN A 94 10.512 -2.594 12.484 1.00 1.00 H new ATOM 0 HB2 ASN A 94 11.902 -1.152 13.574 1.00 1.00 H new ATOM 0 HB3 ASN A 94 11.822 -0.211 12.098 1.00 1.00 H new ATOM 0 HD21 ASN A 94 9.953 2.463 13.381 1.00 1.00 H new ATOM 0 HD22 ASN A 94 10.663 1.657 11.979 1.00 1.00 H new ATOM 482 N HIS A 95 8.919 -1.612 14.427 1.00 1.00 N ATOM 483 CA HIS A 95 7.757 -1.434 15.281 1.00 1.00 C ATOM 484 C HIS A 95 7.010 -0.162 14.873 1.00 1.00 C ATOM 485 O HIS A 95 5.944 -0.232 14.263 1.00 1.00 O ATOM 486 CB HIS A 95 8.161 -1.438 16.756 1.00 1.00 C ATOM 487 CG HIS A 95 9.494 -0.781 17.029 1.00 1.00 C ATOM 488 ND1 HIS A 95 10.703 -1.413 16.796 1.00 1.00 N ATOM 489 CD2 HIS A 95 9.794 0.456 17.517 1.00 1.00 C ATOM 490 CE1 HIS A 95 11.680 -0.585 17.132 1.00 1.00 C ATOM 491 NE2 HIS A 95 11.115 0.573 17.580 1.00 1.00 N ATOM 0 H HIS A 95 9.749 -1.962 14.904 1.00 1.00 H new ATOM 0 HA HIS A 95 7.073 -2.273 15.150 1.00 1.00 H new ATOM 0 HB2 HIS A 95 7.391 -0.928 17.335 1.00 1.00 H new ATOM 0 HB3 HIS A 95 8.196 -2.468 17.110 1.00 1.00 H new ATOM 0 HD2 HIS A 95 9.079 1.212 17.804 1.00 1.00 H new ATOM 0 HE1 HIS A 95 12.738 -0.790 17.063 1.00 1.00 H new ATOM 0 HE2 HIS A 95 11.624 1.394 17.909 1.00 1.00 H new ATOM 499 N ASN A 96 7.600 0.970 15.227 1.00 1.00 N ATOM 500 CA ASN A 96 7.004 2.256 14.907 1.00 1.00 C ATOM 501 C ASN A 96 7.326 2.615 13.455 1.00 1.00 C ATOM 502 O ASN A 96 7.888 1.803 12.721 1.00 1.00 O ATOM 503 CB ASN A 96 7.565 3.362 15.802 1.00 1.00 C ATOM 504 CG ASN A 96 6.505 3.861 16.787 1.00 1.00 C ATOM 505 OD1 ASN A 96 6.420 3.422 17.922 1.00 1.00 O ATOM 506 ND2 ASN A 96 5.705 4.800 16.291 1.00 1.00 N ATOM 0 H ASN A 96 8.484 1.024 15.732 1.00 1.00 H new ATOM 0 HA ASN A 96 5.928 2.177 15.063 1.00 1.00 H new ATOM 0 HB2 ASN A 96 8.429 2.987 16.351 1.00 1.00 H new ATOM 0 HB3 ASN A 96 7.914 4.191 15.186 1.00 1.00 H new ATOM 0 HD21 ASN A 96 4.965 5.198 16.870 1.00 1.00 H new ATOM 0 HD22 ASN A 96 5.831 5.123 15.332 1.00 1.00 H new ATOM 513 N GLY A 97 6.956 3.831 13.083 1.00 1.00 N ATOM 514 CA GLY A 97 7.199 4.307 11.732 1.00 1.00 C ATOM 515 C GLY A 97 8.353 5.312 11.703 1.00 1.00 C ATOM 516 O GLY A 97 8.144 6.496 11.446 1.00 1.00 O ATOM 0 H GLY A 97 6.489 4.502 13.694 1.00 1.00 H new ATOM 0 HA2 GLY A 97 7.430 3.463 11.082 1.00 1.00 H new ATOM 0 HA3 GLY A 97 6.296 4.774 11.339 1.00 1.00 H new ATOM 520 N GLU A 98 9.546 4.801 11.971 1.00 1.00 N ATOM 521 CA GLU A 98 10.733 5.638 11.979 1.00 1.00 C ATOM 522 C GLU A 98 11.744 5.136 10.946 1.00 1.00 C ATOM 523 O GLU A 98 12.220 5.905 10.112 1.00 1.00 O ATOM 524 CB GLU A 98 11.356 5.693 13.375 1.00 1.00 C ATOM 525 CG GLU A 98 11.132 7.060 14.023 1.00 1.00 C ATOM 526 CD GLU A 98 12.424 7.880 14.036 1.00 1.00 C ATOM 527 OE1 GLU A 98 13.486 7.261 14.266 1.00 1.00 O ATOM 528 OE2 GLU A 98 12.321 9.106 13.816 1.00 1.00 O ATOM 0 H GLU A 98 9.716 3.818 12.184 1.00 1.00 H new ATOM 0 HA GLU A 98 10.440 6.652 11.708 1.00 1.00 H new ATOM 0 HB2 GLU A 98 10.922 4.914 14.002 1.00 1.00 H new ATOM 0 HB3 GLU A 98 12.425 5.489 13.308 1.00 1.00 H new ATOM 0 HG2 GLU A 98 10.359 7.602 13.479 1.00 1.00 H new ATOM 0 HG3 GLU A 98 10.771 6.928 15.043 1.00 1.00 H new ATOM 535 N TRP A 99 12.043 3.848 11.036 1.00 1.00 N ATOM 536 CA TRP A 99 12.989 3.234 10.120 1.00 1.00 C ATOM 537 C TRP A 99 12.304 2.028 9.471 1.00 1.00 C ATOM 538 O TRP A 99 11.396 1.438 10.054 1.00 1.00 O ATOM 539 CB TRP A 99 14.289 2.868 10.838 1.00 1.00 C ATOM 540 CG TRP A 99 15.243 4.047 11.036 1.00 1.00 C ATOM 541 CD1 TRP A 99 15.090 5.106 11.843 1.00 1.00 C ATOM 542 CD2 TRP A 99 16.513 4.245 10.380 1.00 1.00 C ATOM 543 NE1 TRP A 99 16.164 5.968 11.755 1.00 1.00 N ATOM 544 CE2 TRP A 99 17.056 5.428 10.837 1.00 1.00 C ATOM 545 CE3 TRP A 99 17.181 3.451 9.431 1.00 1.00 C ATOM 546 CZ2 TRP A 99 18.292 5.923 10.401 1.00 1.00 C ATOM 547 CZ3 TRP A 99 18.414 3.959 9.006 1.00 1.00 C ATOM 548 CH2 TRP A 99 18.974 5.149 9.456 1.00 1.00 C ATOM 0 H TRP A 99 11.647 3.213 11.729 1.00 1.00 H new ATOM 0 HA TRP A 99 13.277 3.935 9.336 1.00 1.00 H new ATOM 0 HB2 TRP A 99 14.047 2.442 11.812 1.00 1.00 H new ATOM 0 HB3 TRP A 99 14.800 2.092 10.269 1.00 1.00 H new ATOM 0 HD1 TRP A 99 14.234 5.265 12.482 1.00 1.00 H new ATOM 0 HE1 TRP A 99 16.281 6.841 12.269 1.00 1.00 H new ATOM 0 HE3 TRP A 99 16.775 2.522 9.059 1.00 1.00 H new ATOM 0 HZ2 TRP A 99 18.697 6.852 10.774 1.00 1.00 H new ATOM 0 HZ3 TRP A 99 18.969 3.386 8.278 1.00 1.00 H new ATOM 0 HH2 TRP A 99 19.932 5.475 9.078 1.00 1.00 H new ATOM 559 N CYS A 100 12.767 1.699 8.274 1.00 1.00 N ATOM 560 CA CYS A 100 12.210 0.575 7.541 1.00 1.00 C ATOM 561 C CYS A 100 13.368 -0.233 6.950 1.00 1.00 C ATOM 562 O CYS A 100 14.342 0.337 6.462 1.00 1.00 O ATOM 563 CB CYS A 100 11.226 1.034 6.463 1.00 1.00 C ATOM 564 SG CYS A 100 11.754 2.648 5.781 1.00 1.00 S ATOM 0 H CYS A 100 13.521 2.191 7.794 1.00 1.00 H new ATOM 0 HA CYS A 100 11.635 -0.056 8.219 1.00 1.00 H new ATOM 0 HB2 CYS A 100 11.175 0.292 5.666 1.00 1.00 H new ATOM 0 HB3 CYS A 100 10.225 1.118 6.885 1.00 1.00 H new ATOM 0 HG CYS A 100 13.038 2.785 5.934 1.00 1.00 H new ATOM 570 N GLU A 101 13.222 -1.549 7.014 1.00 1.00 N ATOM 571 CA GLU A 101 14.243 -2.441 6.491 1.00 1.00 C ATOM 572 C GLU A 101 14.152 -2.516 4.966 1.00 1.00 C ATOM 573 O GLU A 101 13.069 -2.700 4.413 1.00 1.00 O ATOM 574 CB GLU A 101 14.127 -3.832 7.116 1.00 1.00 C ATOM 575 CG GLU A 101 15.457 -4.583 7.034 1.00 1.00 C ATOM 576 CD GLU A 101 15.407 -5.879 7.845 1.00 1.00 C ATOM 577 OE1 GLU A 101 14.767 -5.853 8.919 1.00 1.00 O ATOM 578 OE2 GLU A 101 16.009 -6.868 7.374 1.00 1.00 O ATOM 0 H GLU A 101 12.412 -2.018 7.420 1.00 1.00 H new ATOM 0 HA GLU A 101 15.220 -2.039 6.757 1.00 1.00 H new ATOM 0 HB2 GLU A 101 13.820 -3.742 8.158 1.00 1.00 H new ATOM 0 HB3 GLU A 101 13.352 -4.401 6.603 1.00 1.00 H new ATOM 0 HG2 GLU A 101 15.687 -4.810 5.993 1.00 1.00 H new ATOM 0 HG3 GLU A 101 16.261 -3.948 7.406 1.00 1.00 H new ATOM 585 N ALA A 102 15.305 -2.369 4.329 1.00 1.00 N ATOM 586 CA ALA A 102 15.369 -2.418 2.878 1.00 1.00 C ATOM 587 C ALA A 102 16.436 -3.428 2.453 1.00 1.00 C ATOM 588 O ALA A 102 17.323 -3.766 3.236 1.00 1.00 O ATOM 589 CB ALA A 102 15.643 -1.015 2.332 1.00 1.00 C ATOM 0 H ALA A 102 16.201 -2.216 4.791 1.00 1.00 H new ATOM 0 HA ALA A 102 14.418 -2.750 2.462 1.00 1.00 H new ATOM 0 HB1 ALA A 102 15.691 -1.051 1.244 1.00 1.00 H new ATOM 0 HB2 ALA A 102 14.841 -0.343 2.638 1.00 1.00 H new ATOM 0 HB3 ALA A 102 16.592 -0.650 2.725 1.00 1.00 H new ATOM 595 N GLN A 103 16.316 -3.881 1.214 1.00 1.00 N ATOM 596 CA GLN A 103 17.260 -4.846 0.675 1.00 1.00 C ATOM 597 C GLN A 103 17.930 -4.288 -0.582 1.00 1.00 C ATOM 598 O GLN A 103 17.387 -3.400 -1.237 1.00 1.00 O ATOM 599 CB GLN A 103 16.572 -6.181 0.383 1.00 1.00 C ATOM 600 CG GLN A 103 15.171 -5.962 -0.193 1.00 1.00 C ATOM 601 CD GLN A 103 14.404 -7.283 -0.285 1.00 1.00 C ATOM 602 OE1 GLN A 103 13.939 -7.831 0.701 1.00 1.00 O ATOM 603 NE2 GLN A 103 14.298 -7.762 -1.521 1.00 1.00 N ATOM 0 H GLN A 103 15.580 -3.598 0.568 1.00 1.00 H new ATOM 0 HA GLN A 103 18.031 -5.028 1.424 1.00 1.00 H new ATOM 0 HB2 GLN A 103 17.172 -6.757 -0.321 1.00 1.00 H new ATOM 0 HB3 GLN A 103 16.505 -6.768 1.299 1.00 1.00 H new ATOM 0 HG2 GLN A 103 14.621 -5.261 0.435 1.00 1.00 H new ATOM 0 HG3 GLN A 103 15.247 -5.512 -1.183 1.00 1.00 H new ATOM 0 HE21 GLN A 103 14.711 -7.253 -2.302 1.00 1.00 H new ATOM 0 HE22 GLN A 103 13.804 -8.639 -1.688 1.00 1.00 H new ATOM 612 N THR A 104 19.101 -4.832 -0.881 1.00 1.00 N ATOM 613 CA THR A 104 19.851 -4.400 -2.047 1.00 1.00 C ATOM 614 C THR A 104 20.398 -5.609 -2.808 1.00 1.00 C ATOM 615 O THR A 104 20.759 -6.617 -2.201 1.00 1.00 O ATOM 616 CB THR A 104 20.940 -3.433 -1.578 1.00 1.00 C ATOM 617 OG1 THR A 104 20.223 -2.405 -0.900 1.00 1.00 O ATOM 618 CG2 THR A 104 21.621 -2.708 -2.741 1.00 1.00 C ATOM 0 H THR A 104 19.548 -5.568 -0.335 1.00 1.00 H new ATOM 0 HA THR A 104 19.212 -3.873 -2.755 1.00 1.00 H new ATOM 0 HB THR A 104 21.688 -3.980 -1.004 1.00 1.00 H new ATOM 0 HG1 THR A 104 20.710 -1.558 -0.982 1.00 1.00 H new ATOM 0 HG21 THR A 104 22.385 -2.035 -2.353 1.00 1.00 H new ATOM 0 HG22 THR A 104 22.084 -3.439 -3.404 1.00 1.00 H new ATOM 0 HG23 THR A 104 20.879 -2.134 -3.296 1.00 1.00 H new ATOM 626 N LYS A 105 20.444 -5.469 -4.124 1.00 1.00 N ATOM 627 CA LYS A 105 20.941 -6.538 -4.974 1.00 1.00 C ATOM 628 C LYS A 105 22.382 -6.868 -4.580 1.00 1.00 C ATOM 629 O LYS A 105 22.903 -7.922 -4.942 1.00 1.00 O ATOM 630 CB LYS A 105 20.776 -6.170 -6.450 1.00 1.00 C ATOM 631 CG LYS A 105 22.015 -5.442 -6.975 1.00 1.00 C ATOM 632 CD LYS A 105 21.628 -4.365 -7.991 1.00 1.00 C ATOM 633 CE LYS A 105 22.070 -4.757 -9.402 1.00 1.00 C ATOM 634 NZ LYS A 105 23.382 -4.151 -9.721 1.00 1.00 N ATOM 0 H LYS A 105 20.145 -4.631 -4.623 1.00 1.00 H new ATOM 0 HA LYS A 105 20.354 -7.445 -4.828 1.00 1.00 H new ATOM 0 HB2 LYS A 105 20.604 -7.073 -7.037 1.00 1.00 H new ATOM 0 HB3 LYS A 105 19.898 -5.537 -6.575 1.00 1.00 H new ATOM 0 HG2 LYS A 105 22.553 -4.986 -6.144 1.00 1.00 H new ATOM 0 HG3 LYS A 105 22.693 -6.158 -7.439 1.00 1.00 H new ATOM 0 HD2 LYS A 105 20.549 -4.214 -7.973 1.00 1.00 H new ATOM 0 HD3 LYS A 105 22.087 -3.416 -7.713 1.00 1.00 H new ATOM 0 HE2 LYS A 105 22.135 -5.842 -9.481 1.00 1.00 H new ATOM 0 HE3 LYS A 105 21.325 -4.429 -10.127 1.00 1.00 H new ATOM 0 HZ1 LYS A 105 23.667 -4.427 -10.682 1.00 1.00 H new ATOM 0 HZ2 LYS A 105 23.309 -3.115 -9.666 1.00 1.00 H new ATOM 0 HZ3 LYS A 105 24.093 -4.484 -9.040 1.00 1.00 H new ATOM 648 N ASN A 106 22.986 -5.947 -3.843 1.00 1.00 N ATOM 649 CA ASN A 106 24.357 -6.127 -3.396 1.00 1.00 C ATOM 650 C ASN A 106 24.356 -6.797 -2.020 1.00 1.00 C ATOM 651 O ASN A 106 25.191 -7.657 -1.745 1.00 1.00 O ATOM 652 CB ASN A 106 25.075 -4.782 -3.266 1.00 1.00 C ATOM 653 CG ASN A 106 26.264 -4.885 -2.309 1.00 1.00 C ATOM 654 OD1 ASN A 106 26.193 -4.517 -1.148 1.00 1.00 O ATOM 655 ND2 ASN A 106 27.357 -5.406 -2.859 1.00 1.00 N ATOM 0 H ASN A 106 22.551 -5.074 -3.544 1.00 1.00 H new ATOM 0 HA ASN A 106 24.874 -6.742 -4.132 1.00 1.00 H new ATOM 0 HB2 ASN A 106 25.420 -4.454 -4.246 1.00 1.00 H new ATOM 0 HB3 ASN A 106 24.377 -4.027 -2.905 1.00 1.00 H new ATOM 0 HD21 ASN A 106 28.204 -5.518 -2.302 1.00 1.00 H new ATOM 0 HD22 ASN A 106 27.348 -5.694 -3.838 1.00 1.00 H new ATOM 662 N GLY A 107 23.409 -6.378 -1.194 1.00 1.00 N ATOM 663 CA GLY A 107 23.289 -6.927 0.146 1.00 1.00 C ATOM 664 C GLY A 107 21.987 -6.474 0.809 1.00 1.00 C ATOM 665 O GLY A 107 20.964 -6.329 0.142 1.00 1.00 O ATOM 0 H GLY A 107 22.718 -5.665 -1.427 1.00 1.00 H new ATOM 0 HA2 GLY A 107 23.319 -8.016 0.101 1.00 1.00 H new ATOM 0 HA3 GLY A 107 24.139 -6.610 0.750 1.00 1.00 H new ATOM 669 N GLN A 108 22.067 -6.263 2.115 1.00 1.00 N ATOM 670 CA GLN A 108 20.908 -5.829 2.876 1.00 1.00 C ATOM 671 C GLN A 108 21.346 -4.985 4.075 1.00 1.00 C ATOM 672 O GLN A 108 22.515 -5.003 4.457 1.00 1.00 O ATOM 673 CB GLN A 108 20.068 -7.026 3.325 1.00 1.00 C ATOM 674 CG GLN A 108 18.579 -6.773 3.081 1.00 1.00 C ATOM 675 CD GLN A 108 17.717 -7.673 3.969 1.00 1.00 C ATOM 676 OE1 GLN A 108 18.207 -8.497 4.723 1.00 1.00 O ATOM 677 NE2 GLN A 108 16.409 -7.469 3.838 1.00 1.00 N ATOM 0 H GLN A 108 22.917 -6.385 2.665 1.00 1.00 H new ATOM 0 HA GLN A 108 20.284 -5.211 2.230 1.00 1.00 H new ATOM 0 HB2 GLN A 108 20.382 -7.919 2.784 1.00 1.00 H new ATOM 0 HB3 GLN A 108 20.239 -7.218 4.384 1.00 1.00 H new ATOM 0 HG2 GLN A 108 18.346 -5.727 3.282 1.00 1.00 H new ATOM 0 HG3 GLN A 108 18.342 -6.956 2.033 1.00 1.00 H new ATOM 0 HE21 GLN A 108 16.066 -6.762 3.188 1.00 1.00 H new ATOM 0 HE22 GLN A 108 15.749 -8.019 4.388 1.00 1.00 H new ATOM 686 N GLY A 109 20.384 -4.267 4.635 1.00 1.00 N ATOM 687 CA GLY A 109 20.655 -3.418 5.783 1.00 1.00 C ATOM 688 C GLY A 109 19.435 -2.565 6.134 1.00 1.00 C ATOM 689 O GLY A 109 18.345 -2.787 5.609 1.00 1.00 O ATOM 0 H GLY A 109 19.415 -4.255 4.315 1.00 1.00 H new ATOM 0 HA2 GLY A 109 20.931 -4.034 6.639 1.00 1.00 H new ATOM 0 HA3 GLY A 109 21.506 -2.771 5.569 1.00 1.00 H new ATOM 693 N TRP A 110 19.659 -1.605 7.020 1.00 1.00 N ATOM 694 CA TRP A 110 18.592 -0.717 7.448 1.00 1.00 C ATOM 695 C TRP A 110 18.628 0.528 6.559 1.00 1.00 C ATOM 696 O TRP A 110 19.689 0.917 6.074 1.00 1.00 O ATOM 697 CB TRP A 110 18.713 -0.392 8.938 1.00 1.00 C ATOM 698 CG TRP A 110 17.960 -1.363 9.850 1.00 1.00 C ATOM 699 CD1 TRP A 110 18.431 -2.465 10.449 1.00 1.00 C ATOM 700 CD2 TRP A 110 16.575 -1.273 10.245 1.00 1.00 C ATOM 701 NE1 TRP A 110 17.455 -3.090 11.198 1.00 1.00 N ATOM 702 CE2 TRP A 110 16.291 -2.342 11.070 1.00 1.00 C ATOM 703 CE3 TRP A 110 15.595 -0.320 9.916 1.00 1.00 C ATOM 704 CZ2 TRP A 110 15.028 -2.559 11.635 1.00 1.00 C ATOM 705 CZ3 TRP A 110 14.339 -0.551 10.488 1.00 1.00 C ATOM 706 CH2 TRP A 110 14.036 -1.622 11.321 1.00 1.00 C ATOM 0 H TRP A 110 20.564 -1.423 7.453 1.00 1.00 H new ATOM 0 HA TRP A 110 17.621 -1.198 7.334 1.00 1.00 H new ATOM 0 HB2 TRP A 110 19.767 -0.393 9.215 1.00 1.00 H new ATOM 0 HB3 TRP A 110 18.339 0.617 9.111 1.00 1.00 H new ATOM 0 HD1 TRP A 110 19.447 -2.820 10.357 1.00 1.00 H new ATOM 0 HE1 TRP A 110 17.567 -3.944 11.745 1.00 1.00 H new ATOM 0 HE3 TRP A 110 15.796 0.524 9.273 1.00 1.00 H new ATOM 0 HZ2 TRP A 110 14.830 -3.404 12.278 1.00 1.00 H new ATOM 0 HZ3 TRP A 110 13.550 0.152 10.267 1.00 1.00 H new ATOM 0 HH2 TRP A 110 13.040 -1.731 11.724 1.00 1.00 H new ATOM 717 N VAL A 111 17.457 1.118 6.374 1.00 1.00 N ATOM 718 CA VAL A 111 17.341 2.311 5.552 1.00 1.00 C ATOM 719 C VAL A 111 16.226 3.200 6.105 1.00 1.00 C ATOM 720 O VAL A 111 15.100 2.743 6.297 1.00 1.00 O ATOM 721 CB VAL A 111 17.124 1.920 4.089 1.00 1.00 C ATOM 722 CG1 VAL A 111 15.638 1.715 3.791 1.00 1.00 C ATOM 723 CG2 VAL A 111 17.734 2.960 3.147 1.00 1.00 C ATOM 0 H VAL A 111 16.579 0.792 6.779 1.00 1.00 H new ATOM 0 HA VAL A 111 18.264 2.889 5.586 1.00 1.00 H new ATOM 0 HB VAL A 111 17.634 0.972 3.917 1.00 1.00 H new ATOM 0 HG11 VAL A 111 15.512 1.438 2.744 1.00 1.00 H new ATOM 0 HG12 VAL A 111 15.246 0.921 4.427 1.00 1.00 H new ATOM 0 HG13 VAL A 111 15.096 2.640 3.989 1.00 1.00 H new ATOM 0 HG21 VAL A 111 17.566 2.658 2.113 1.00 1.00 H new ATOM 0 HG22 VAL A 111 17.266 3.929 3.323 1.00 1.00 H new ATOM 0 HG23 VAL A 111 18.805 3.035 3.333 1.00 1.00 H new ATOM 733 N PRO A 112 16.586 4.488 6.352 1.00 1.00 N ATOM 734 CA PRO A 112 15.629 5.445 6.879 1.00 1.00 C ATOM 735 C PRO A 112 14.646 5.892 5.795 1.00 1.00 C ATOM 736 O PRO A 112 15.035 6.101 4.647 1.00 1.00 O ATOM 737 CB PRO A 112 16.472 6.587 7.423 1.00 1.00 C ATOM 738 CG PRO A 112 17.836 6.446 6.767 1.00 1.00 C ATOM 739 CD PRO A 112 17.910 5.065 6.136 1.00 1.00 C ATOM 0 HA PRO A 112 15.001 5.022 7.663 1.00 1.00 H new ATOM 0 HB2 PRO A 112 16.023 7.551 7.187 1.00 1.00 H new ATOM 0 HB3 PRO A 112 16.553 6.530 8.509 1.00 1.00 H new ATOM 0 HG2 PRO A 112 17.978 7.219 6.012 1.00 1.00 H new ATOM 0 HG3 PRO A 112 18.629 6.572 7.504 1.00 1.00 H new ATOM 0 HD2 PRO A 112 18.147 5.127 5.074 1.00 1.00 H new ATOM 0 HD3 PRO A 112 18.687 4.458 6.601 1.00 1.00 H new ATOM 747 N SER A 113 13.391 6.024 6.197 1.00 1.00 N ATOM 748 CA SER A 113 12.349 6.442 5.274 1.00 1.00 C ATOM 749 C SER A 113 12.500 7.930 4.953 1.00 1.00 C ATOM 750 O SER A 113 11.774 8.466 4.116 1.00 1.00 O ATOM 751 CB SER A 113 10.959 6.162 5.848 1.00 1.00 C ATOM 752 OG SER A 113 9.922 6.640 4.995 1.00 1.00 O ATOM 0 H SER A 113 13.072 5.849 7.150 1.00 1.00 H new ATOM 0 HA SER A 113 12.456 5.866 4.355 1.00 1.00 H new ATOM 0 HB2 SER A 113 10.839 5.089 5.999 1.00 1.00 H new ATOM 0 HB3 SER A 113 10.869 6.633 6.827 1.00 1.00 H new ATOM 0 HG SER A 113 10.289 7.302 4.373 1.00 1.00 H new ATOM 758 N ASN A 114 13.448 8.557 5.635 1.00 1.00 N ATOM 759 CA ASN A 114 13.703 9.973 5.433 1.00 1.00 C ATOM 760 C ASN A 114 14.358 10.179 4.065 1.00 1.00 C ATOM 761 O ASN A 114 14.120 11.188 3.405 1.00 1.00 O ATOM 762 CB ASN A 114 14.655 10.518 6.500 1.00 1.00 C ATOM 763 CG ASN A 114 15.303 11.826 6.039 1.00 1.00 C ATOM 764 OD1 ASN A 114 14.641 12.772 5.645 1.00 1.00 O ATOM 765 ND2 ASN A 114 16.631 11.826 6.111 1.00 1.00 N ATOM 0 H ASN A 114 14.048 8.110 6.328 1.00 1.00 H new ATOM 0 HA ASN A 114 12.751 10.500 5.496 1.00 1.00 H new ATOM 0 HB2 ASN A 114 14.109 10.686 7.428 1.00 1.00 H new ATOM 0 HB3 ASN A 114 15.428 9.780 6.714 1.00 1.00 H new ATOM 0 HD21 ASN A 114 17.157 12.652 5.827 1.00 1.00 H new ATOM 0 HD22 ASN A 114 17.123 11.000 6.451 1.00 1.00 H new ATOM 772 N TYR A 115 15.170 9.205 3.681 1.00 1.00 N ATOM 773 CA TYR A 115 15.861 9.266 2.405 1.00 1.00 C ATOM 774 C TYR A 115 15.111 8.468 1.336 1.00 1.00 C ATOM 775 O TYR A 115 15.625 8.258 0.239 1.00 1.00 O ATOM 776 CB TYR A 115 17.231 8.625 2.635 1.00 1.00 C ATOM 777 CG TYR A 115 18.222 9.523 3.378 1.00 1.00 C ATOM 778 CD1 TYR A 115 18.248 10.879 3.125 1.00 1.00 C ATOM 779 CD2 TYR A 115 19.090 8.977 4.302 1.00 1.00 C ATOM 780 CE1 TYR A 115 19.180 11.725 3.825 1.00 1.00 C ATOM 781 CE2 TYR A 115 20.022 9.822 5.002 1.00 1.00 C ATOM 782 CZ TYR A 115 20.021 11.154 4.729 1.00 1.00 C ATOM 783 OH TYR A 115 20.902 11.953 5.389 1.00 1.00 O ATOM 0 H TYR A 115 15.365 8.369 4.232 1.00 1.00 H new ATOM 0 HA TYR A 115 15.935 10.297 2.058 1.00 1.00 H new ATOM 0 HB2 TYR A 115 17.099 7.702 3.200 1.00 1.00 H new ATOM 0 HB3 TYR A 115 17.658 8.350 1.671 1.00 1.00 H new ATOM 0 HD1 TYR A 115 17.569 11.306 2.402 1.00 1.00 H new ATOM 0 HD2 TYR A 115 19.070 7.915 4.500 1.00 1.00 H new ATOM 0 HE1 TYR A 115 19.210 12.788 3.637 1.00 1.00 H new ATOM 0 HE2 TYR A 115 20.706 9.407 5.727 1.00 1.00 H new ATOM 0 HH TYR A 115 21.439 11.410 6.004 1.00 1.00 H new ATOM 793 N ILE A 116 13.907 8.047 1.695 1.00 1.00 N ATOM 794 CA ILE A 116 13.081 7.277 0.781 1.00 1.00 C ATOM 795 C ILE A 116 11.649 7.815 0.818 1.00 1.00 C ATOM 796 O ILE A 116 11.242 8.439 1.796 1.00 1.00 O ATOM 797 CB ILE A 116 13.185 5.782 1.094 1.00 1.00 C ATOM 798 CG1 ILE A 116 14.602 5.265 0.836 1.00 1.00 C ATOM 799 CG2 ILE A 116 12.134 4.986 0.318 1.00 1.00 C ATOM 800 CD1 ILE A 116 15.008 4.232 1.888 1.00 1.00 C ATOM 0 H ILE A 116 13.484 8.225 2.606 1.00 1.00 H new ATOM 0 HA ILE A 116 13.438 7.390 -0.243 1.00 1.00 H new ATOM 0 HB ILE A 116 12.979 5.639 2.155 1.00 1.00 H new ATOM 0 HG12 ILE A 116 14.655 4.818 -0.157 1.00 1.00 H new ATOM 0 HG13 ILE A 116 15.305 6.098 0.849 1.00 1.00 H new ATOM 0 HG21 ILE A 116 12.229 3.927 0.558 1.00 1.00 H new ATOM 0 HG22 ILE A 116 11.138 5.333 0.594 1.00 1.00 H new ATOM 0 HG23 ILE A 116 12.285 5.131 -0.752 1.00 1.00 H new ATOM 0 HD11 ILE A 116 16.019 3.881 1.682 1.00 1.00 H new ATOM 0 HD12 ILE A 116 14.977 4.689 2.877 1.00 1.00 H new ATOM 0 HD13 ILE A 116 14.317 3.389 1.856 1.00 1.00 H new ATOM 812 N THR A 117 10.925 7.554 -0.261 1.00 1.00 N ATOM 813 CA THR A 117 9.547 8.004 -0.364 1.00 1.00 C ATOM 814 C THR A 117 8.654 6.873 -0.877 1.00 1.00 C ATOM 815 O THR A 117 9.123 5.971 -1.569 1.00 1.00 O ATOM 816 CB THR A 117 9.522 9.249 -1.252 1.00 1.00 C ATOM 817 OG1 THR A 117 8.269 9.170 -1.925 1.00 1.00 O ATOM 818 CG2 THR A 117 10.555 9.185 -2.380 1.00 1.00 C ATOM 0 H THR A 117 11.267 7.037 -1.071 1.00 1.00 H new ATOM 0 HA THR A 117 9.145 8.275 0.612 1.00 1.00 H new ATOM 0 HB THR A 117 9.705 10.133 -0.642 1.00 1.00 H new ATOM 0 HG1 THR A 117 8.169 9.941 -2.522 1.00 1.00 H new ATOM 0 HG21 THR A 117 10.495 10.093 -2.980 1.00 1.00 H new ATOM 0 HG22 THR A 117 11.554 9.097 -1.954 1.00 1.00 H new ATOM 0 HG23 THR A 117 10.352 8.319 -3.010 1.00 1.00 H new ATOM 826 N PRO A 118 7.348 6.960 -0.508 1.00 1.00 N ATOM 827 CA PRO A 118 6.384 5.956 -0.924 1.00 1.00 C ATOM 828 C PRO A 118 6.015 6.127 -2.399 1.00 1.00 C ATOM 829 O PRO A 118 6.512 7.033 -3.066 1.00 1.00 O ATOM 830 CB PRO A 118 5.198 6.137 0.010 1.00 1.00 C ATOM 831 CG PRO A 118 5.346 7.529 0.604 1.00 1.00 C ATOM 832 CD PRO A 118 6.756 8.014 0.311 1.00 1.00 C ATOM 0 HA PRO A 118 6.777 4.942 -0.854 1.00 1.00 H new ATOM 0 HB2 PRO A 118 4.256 6.041 -0.531 1.00 1.00 H new ATOM 0 HB3 PRO A 118 5.196 5.377 0.791 1.00 1.00 H new ATOM 0 HG2 PRO A 118 4.611 8.208 0.172 1.00 1.00 H new ATOM 0 HG3 PRO A 118 5.166 7.506 1.679 1.00 1.00 H new ATOM 0 HD2 PRO A 118 6.745 8.967 -0.218 1.00 1.00 H new ATOM 0 HD3 PRO A 118 7.322 8.166 1.230 1.00 1.00 H new ATOM 840 N VAL A 119 5.146 5.242 -2.865 1.00 1.00 N ATOM 841 CA VAL A 119 4.705 5.283 -4.249 1.00 1.00 C ATOM 842 C VAL A 119 3.320 5.929 -4.319 1.00 1.00 C ATOM 843 O VAL A 119 3.184 7.138 -4.135 1.00 1.00 O ATOM 844 CB VAL A 119 4.740 3.878 -4.852 1.00 1.00 C ATOM 845 CG1 VAL A 119 4.159 3.874 -6.267 1.00 1.00 C ATOM 846 CG2 VAL A 119 6.161 3.312 -4.840 1.00 1.00 C ATOM 0 H VAL A 119 4.735 4.492 -2.309 1.00 1.00 H new ATOM 0 HA VAL A 119 5.380 5.895 -4.847 1.00 1.00 H new ATOM 0 HB VAL A 119 4.117 3.232 -4.233 1.00 1.00 H new ATOM 0 HG11 VAL A 119 4.196 2.863 -6.673 1.00 1.00 H new ATOM 0 HG12 VAL A 119 3.124 4.215 -6.236 1.00 1.00 H new ATOM 0 HG13 VAL A 119 4.742 4.541 -6.902 1.00 1.00 H new ATOM 0 HG21 VAL A 119 6.158 2.312 -5.274 1.00 1.00 H new ATOM 0 HG22 VAL A 119 6.815 3.959 -5.424 1.00 1.00 H new ATOM 0 HG23 VAL A 119 6.524 3.261 -3.813 1.00 1.00 H new ATOM 856 N SER A 120 2.325 5.095 -4.584 1.00 1.00 N ATOM 857 CA SER A 120 0.955 5.569 -4.681 1.00 1.00 C ATOM 858 C SER A 120 0.043 4.717 -3.796 1.00 1.00 C ATOM 859 O SER A 120 -1.112 4.495 -4.219 1.00 1.00 O ATOM 860 CB SER A 120 0.464 5.544 -6.129 1.00 1.00 C ATOM 861 OG SER A 120 1.047 6.585 -6.909 1.00 1.00 O ATOM 862 OXT SER A 120 0.448 4.281 -2.719 1.00 1.00 O ATOM 0 H SER A 120 2.441 4.093 -4.735 1.00 1.00 H new ATOM 0 HA SER A 120 0.925 6.602 -4.334 1.00 1.00 H new ATOM 0 HB2 SER A 120 0.703 4.579 -6.576 1.00 1.00 H new ATOM 0 HB3 SER A 120 -0.621 5.643 -6.145 1.00 1.00 H new ATOM 0 HG SER A 120 0.709 6.534 -7.828 1.00 1.00 H new