USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 460 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 79 ASN : amide:sc= -0.388 K(o=-0.57,f=-2.7!) USER MOD Set 1.2: A 83 LYS NZ :NH3+ -124:sc= -0.182 (180deg=-0.151) USER MOD Set 2.1: A 73 ASN : amide:sc= 0 K(o=0.079,f=-0.85) USER MOD Set 2.2: A 76 THR OG1 : rot 180:sc= 0.0792 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.092) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl -172:sc= 0 (180deg=-0.0671) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.15) USER MOD Single : A 109 ASN : amide:sc= -0.0013 X(o=-0.0013,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0631) USER MOD Single : A 112 LYS NZ :NH3+ 157:sc= -0.0149 (180deg=-0.13) USER MOD ----------------------------------------------------------------- ATOM 27 N ILE A 60 -5.234 -8.873 -0.577 1.00 0.00 N ATOM 28 CA ILE A 60 -6.569 -8.422 -0.791 1.00 0.00 C ATOM 29 C ILE A 60 -7.214 -7.820 0.409 1.00 0.00 C ATOM 30 O ILE A 60 -7.545 -6.639 0.389 1.00 0.00 O ATOM 31 CB ILE A 60 -7.550 -9.361 -1.494 1.00 0.00 C ATOM 32 CG1 ILE A 60 -7.885 -10.695 -0.773 1.00 0.00 C ATOM 33 CG2 ILE A 60 -7.044 -9.577 -2.930 1.00 0.00 C ATOM 34 CD1 ILE A 60 -6.676 -11.520 -0.346 1.00 0.00 C ATOM 0 HA ILE A 60 -6.365 -7.643 -1.525 1.00 0.00 H new ATOM 0 HB ILE A 60 -8.521 -8.865 -1.481 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.484 -10.472 0.110 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -8.504 -11.302 -1.434 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -7.724 -10.244 -3.459 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.000 -8.619 -3.448 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -6.049 -10.021 -2.902 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -7.013 -12.431 0.148 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -6.085 -11.781 -1.224 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.064 -10.939 0.344 1.00 0.00 H new ATOM 46 N ALA A 61 -7.442 -8.616 1.468 1.00 0.00 N ATOM 47 CA ALA A 61 -8.212 -8.179 2.591 1.00 0.00 C ATOM 48 C ALA A 61 -7.257 -7.435 3.435 1.00 0.00 C ATOM 49 O ALA A 61 -7.603 -6.432 4.052 1.00 0.00 O ATOM 50 CB ALA A 61 -8.763 -9.345 3.426 1.00 0.00 C ATOM 0 H ALA A 61 -7.090 -9.570 1.547 1.00 0.00 H new ATOM 0 HA ALA A 61 -9.069 -7.598 2.249 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.339 -8.952 4.264 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -9.407 -9.966 2.803 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.935 -9.945 3.804 1.00 0.00 H new ATOM 56 N ARG A 62 -6.011 -7.931 3.431 1.00 0.00 N ATOM 57 CA ARG A 62 -4.904 -7.364 4.127 1.00 0.00 C ATOM 58 C ARG A 62 -4.497 -6.076 3.479 1.00 0.00 C ATOM 59 O ARG A 62 -4.021 -5.165 4.155 1.00 0.00 O ATOM 60 CB ARG A 62 -3.696 -8.315 4.086 1.00 0.00 C ATOM 61 CG ARG A 62 -3.654 -9.249 2.865 1.00 0.00 C ATOM 62 CD ARG A 62 -2.310 -9.976 2.773 1.00 0.00 C ATOM 63 NE ARG A 62 -2.282 -11.022 3.831 1.00 0.00 N ATOM 64 CZ ARG A 62 -1.145 -11.734 4.080 1.00 0.00 C ATOM 65 NH1 ARG A 62 0.006 -11.458 3.402 1.00 0.00 N ATOM 66 NH2 ARG A 62 -1.166 -12.735 5.006 1.00 0.00 N ATOM 0 H ARG A 62 -5.763 -8.774 2.913 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.210 -7.194 5.159 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.782 -7.721 4.103 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.698 -8.922 4.991 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.461 -9.978 2.933 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.822 -8.672 1.956 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.187 -10.426 1.788 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.487 -9.274 2.908 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.123 -11.209 4.377 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.021 -10.715 2.703 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.852 -11.995 3.594 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.028 -12.948 5.508 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.319 -13.271 5.197 1.00 0.00 H new ATOM 80 N ILE A 63 -4.680 -5.974 2.147 1.00 0.00 N ATOM 81 CA ILE A 63 -4.221 -4.842 1.399 1.00 0.00 C ATOM 82 C ILE A 63 -5.205 -3.730 1.431 1.00 0.00 C ATOM 83 O ILE A 63 -4.824 -2.564 1.360 1.00 0.00 O ATOM 84 CB ILE A 63 -3.828 -5.238 -0.001 1.00 0.00 C ATOM 85 CG1 ILE A 63 -2.419 -4.722 -0.278 1.00 0.00 C ATOM 86 CG2 ILE A 63 -4.801 -4.870 -1.127 1.00 0.00 C ATOM 87 CD1 ILE A 63 -1.896 -5.227 -1.620 1.00 0.00 C ATOM 0 H ILE A 63 -5.150 -6.683 1.585 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.320 -4.462 1.880 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.864 -6.327 -0.018 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.421 -3.632 -0.273 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.749 -5.043 0.520 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.399 -5.211 -2.081 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -5.764 -5.348 -0.947 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.933 -3.788 -1.155 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.890 -4.841 -1.787 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.870 -6.317 -1.614 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.553 -4.884 -2.419 1.00 0.00 H new ATOM 99 N ASN A 64 -6.497 -4.075 1.583 1.00 0.00 N ATOM 100 CA ASN A 64 -7.543 -3.106 1.708 1.00 0.00 C ATOM 101 C ASN A 64 -7.496 -2.548 3.082 1.00 0.00 C ATOM 102 O ASN A 64 -7.962 -1.442 3.345 1.00 0.00 O ATOM 103 CB ASN A 64 -8.917 -3.770 1.628 1.00 0.00 C ATOM 104 CG ASN A 64 -9.927 -2.757 1.101 1.00 0.00 C ATOM 105 OD1 ASN A 64 -9.808 -2.254 -0.023 1.00 0.00 O ATOM 106 ND2 ASN A 64 -10.951 -2.457 1.957 1.00 0.00 N ATOM 0 H ASN A 64 -6.821 -5.042 1.620 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.406 -2.367 0.918 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.878 -4.639 0.971 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.220 -4.127 2.612 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.668 -1.787 1.679 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.998 -2.904 2.873 1.00 0.00 H new ATOM 113 N ALA A 65 -6.948 -3.363 3.996 1.00 0.00 N ATOM 114 CA ALA A 65 -7.126 -3.126 5.407 1.00 0.00 C ATOM 115 C ALA A 65 -6.231 -2.049 5.921 1.00 0.00 C ATOM 116 O ALA A 65 -6.507 -1.482 6.977 1.00 0.00 O ATOM 117 CB ALA A 65 -6.833 -4.344 6.295 1.00 0.00 C ATOM 0 H ALA A 65 -6.384 -4.182 3.770 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.180 -2.854 5.471 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.991 -4.079 7.340 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -7.501 -5.162 6.023 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.799 -4.657 6.153 1.00 0.00 H new ATOM 123 N ALA A 66 -5.136 -1.746 5.205 1.00 0.00 N ATOM 124 CA ALA A 66 -4.206 -0.767 5.684 1.00 0.00 C ATOM 125 C ALA A 66 -4.472 0.532 4.999 1.00 0.00 C ATOM 126 O ALA A 66 -4.186 1.594 5.551 1.00 0.00 O ATOM 127 CB ALA A 66 -2.759 -1.166 5.396 1.00 0.00 C ATOM 0 H ALA A 66 -4.894 -2.169 4.309 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.337 -0.686 6.763 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.087 -0.396 5.776 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.539 -2.114 5.886 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.618 -1.272 4.320 1.00 0.00 H new ATOM 133 N VAL A 67 -5.026 0.472 3.770 1.00 0.00 N ATOM 134 CA VAL A 67 -5.134 1.633 2.935 1.00 0.00 C ATOM 135 C VAL A 67 -6.397 2.373 3.253 1.00 0.00 C ATOM 136 O VAL A 67 -6.543 3.538 2.891 1.00 0.00 O ATOM 137 CB VAL A 67 -5.105 1.306 1.455 1.00 0.00 C ATOM 138 CG1 VAL A 67 -3.748 0.670 1.117 1.00 0.00 C ATOM 139 CG2 VAL A 67 -6.277 0.399 1.047 1.00 0.00 C ATOM 0 H VAL A 67 -5.399 -0.382 3.355 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.262 2.252 3.147 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.224 2.226 0.882 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.713 0.429 0.054 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.948 1.371 1.357 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.618 -0.242 1.700 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.219 0.188 -0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.225 -0.536 1.605 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.219 0.901 1.268 1.00 0.00 H new ATOM 149 N ARG A 68 -7.339 1.705 3.955 1.00 0.00 N ATOM 150 CA ARG A 68 -8.666 2.208 4.198 1.00 0.00 C ATOM 151 C ARG A 68 -8.668 3.360 5.154 1.00 0.00 C ATOM 152 O ARG A 68 -9.653 4.094 5.229 1.00 0.00 O ATOM 153 CB ARG A 68 -9.598 1.123 4.775 1.00 0.00 C ATOM 154 CG ARG A 68 -9.070 0.488 6.070 1.00 0.00 C ATOM 155 CD ARG A 68 -9.935 -0.672 6.572 1.00 0.00 C ATOM 156 NE ARG A 68 -11.248 -0.124 7.029 1.00 0.00 N ATOM 157 CZ ARG A 68 -11.446 0.314 8.309 1.00 0.00 C ATOM 158 NH1 ARG A 68 -10.448 0.255 9.237 1.00 0.00 N ATOM 159 NH2 ARG A 68 -12.664 0.821 8.663 1.00 0.00 N ATOM 0 H ARG A 68 -7.173 0.787 4.367 1.00 0.00 H new ATOM 0 HA ARG A 68 -9.031 2.535 3.224 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -10.577 1.561 4.967 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -9.740 0.342 4.028 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.054 0.129 5.903 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.014 1.252 6.845 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -10.086 -1.403 5.778 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.435 -1.190 7.391 1.00 0.00 H new ATOM 0 HE ARG A 68 -12.021 -0.075 6.365 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.535 -0.121 8.981 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.615 0.587 10.187 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -13.415 0.870 7.975 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.822 1.150 9.615 1.00 0.00 H new ATOM 173 N ALA A 69 -7.561 3.549 5.903 1.00 0.00 N ATOM 174 CA ALA A 69 -7.453 4.602 6.868 1.00 0.00 C ATOM 175 C ALA A 69 -7.402 5.922 6.168 1.00 0.00 C ATOM 176 O ALA A 69 -7.993 6.898 6.631 1.00 0.00 O ATOM 177 CB ALA A 69 -6.163 4.493 7.693 1.00 0.00 C ATOM 0 H ALA A 69 -6.730 2.961 5.836 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.320 4.519 7.524 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.121 5.311 8.413 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.150 3.541 8.224 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.301 4.550 7.029 1.00 0.00 H new ATOM 183 N TYR A 70 -6.679 5.972 5.034 1.00 0.00 N ATOM 184 CA TYR A 70 -6.377 7.207 4.374 1.00 0.00 C ATOM 185 C TYR A 70 -7.558 7.654 3.580 1.00 0.00 C ATOM 186 O TYR A 70 -7.867 8.844 3.549 1.00 0.00 O ATOM 187 CB TYR A 70 -5.181 7.066 3.418 1.00 0.00 C ATOM 188 CG TYR A 70 -4.106 6.350 4.166 1.00 0.00 C ATOM 189 CD1 TYR A 70 -3.564 6.885 5.322 1.00 0.00 C ATOM 190 CD2 TYR A 70 -3.688 5.104 3.739 1.00 0.00 C ATOM 191 CE1 TYR A 70 -2.665 6.156 6.073 1.00 0.00 C ATOM 192 CE2 TYR A 70 -2.786 4.375 4.487 1.00 0.00 C ATOM 193 CZ TYR A 70 -2.292 4.892 5.666 1.00 0.00 C ATOM 194 OH TYR A 70 -1.392 4.137 6.447 1.00 0.00 O ATOM 0 H TYR A 70 -6.299 5.147 4.569 1.00 0.00 H new ATOM 0 HA TYR A 70 -6.127 7.935 5.146 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.465 6.510 2.525 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.834 8.045 3.087 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -3.846 7.878 5.638 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -4.070 4.698 2.814 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.253 6.575 6.979 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -2.467 3.400 4.149 1.00 0.00 H new ATOM 0 HH TYR A 70 -1.236 3.269 6.019 1.00 0.00 H new ATOM 204 N GLY A 71 -8.245 6.696 2.925 1.00 0.00 N ATOM 205 CA GLY A 71 -9.345 7.011 2.059 1.00 0.00 C ATOM 206 C GLY A 71 -9.078 6.300 0.779 1.00 0.00 C ATOM 207 O GLY A 71 -9.910 6.289 -0.127 1.00 0.00 O ATOM 0 H GLY A 71 -8.038 5.700 2.995 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.290 6.687 2.495 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.420 8.087 1.899 1.00 0.00 H new ATOM 211 N LEU A 72 -7.887 5.678 0.699 1.00 0.00 N ATOM 212 CA LEU A 72 -7.520 4.863 -0.416 1.00 0.00 C ATOM 213 C LEU A 72 -8.270 3.601 -0.270 1.00 0.00 C ATOM 214 O LEU A 72 -8.513 3.124 0.835 1.00 0.00 O ATOM 215 CB LEU A 72 -6.021 4.542 -0.436 1.00 0.00 C ATOM 216 CG LEU A 72 -5.128 5.782 -0.614 1.00 0.00 C ATOM 217 CD1 LEU A 72 -3.643 5.415 -0.471 1.00 0.00 C ATOM 218 CD2 LEU A 72 -5.399 6.470 -1.958 1.00 0.00 C ATOM 0 H LEU A 72 -7.168 5.743 1.420 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.747 5.392 -1.342 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.753 4.042 0.495 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.819 3.840 -1.245 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.376 6.489 0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.033 6.309 -0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.466 4.996 0.519 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.375 4.680 -1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.754 7.343 -2.056 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.194 5.774 -2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.442 6.783 -2.003 1.00 0.00 H new ATOM 230 N ASN A 73 -8.716 3.089 -1.425 1.00 0.00 N ATOM 231 CA ASN A 73 -9.654 2.018 -1.460 1.00 0.00 C ATOM 232 C ASN A 73 -9.073 0.872 -2.205 1.00 0.00 C ATOM 233 O ASN A 73 -9.819 0.020 -2.688 1.00 0.00 O ATOM 234 CB ASN A 73 -11.019 2.419 -2.066 1.00 0.00 C ATOM 235 CG ASN A 73 -10.898 2.798 -3.547 1.00 0.00 C ATOM 236 OD1 ASN A 73 -10.171 3.717 -3.938 1.00 0.00 O ATOM 237 ND2 ASN A 73 -11.679 2.053 -4.389 1.00 0.00 N ATOM 0 H ASN A 73 -8.423 3.421 -2.344 1.00 0.00 H new ATOM 0 HA ASN A 73 -9.853 1.733 -0.427 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.721 1.592 -1.959 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -11.431 3.260 -1.508 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.678 2.247 -5.390 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -12.262 1.304 -4.015 1.00 0.00 H new ATOM 244 N TYR A 74 -7.721 0.850 -2.301 1.00 0.00 N ATOM 245 CA TYR A 74 -6.929 -0.138 -2.995 1.00 0.00 C ATOM 246 C TYR A 74 -6.840 0.234 -4.451 1.00 0.00 C ATOM 247 O TYR A 74 -5.869 -0.128 -5.105 1.00 0.00 O ATOM 248 CB TYR A 74 -7.339 -1.628 -2.771 1.00 0.00 C ATOM 249 CG TYR A 74 -6.528 -2.603 -3.571 1.00 0.00 C ATOM 250 CD1 TYR A 74 -5.147 -2.660 -3.501 1.00 0.00 C ATOM 251 CD2 TYR A 74 -7.186 -3.512 -4.380 1.00 0.00 C ATOM 252 CE1 TYR A 74 -4.437 -3.549 -4.282 1.00 0.00 C ATOM 253 CE2 TYR A 74 -6.481 -4.419 -5.147 1.00 0.00 C ATOM 254 CZ TYR A 74 -5.105 -4.427 -5.108 1.00 0.00 C ATOM 255 OH TYR A 74 -4.382 -5.339 -5.904 1.00 0.00 O ATOM 0 H TYR A 74 -7.144 1.569 -1.865 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.938 -0.108 -2.543 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.239 -1.868 -1.712 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.392 -1.748 -3.027 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.619 -2.001 -2.827 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.266 -3.512 -4.412 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -3.358 -3.557 -4.246 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.008 -5.121 -5.776 1.00 0.00 H new ATOM 0 HH TYR A 74 -5.007 -5.885 -6.425 1.00 0.00 H new ATOM 265 N SER A 75 -7.834 0.970 -4.998 1.00 0.00 N ATOM 266 CA SER A 75 -7.873 1.307 -6.398 1.00 0.00 C ATOM 267 C SER A 75 -7.015 2.497 -6.690 1.00 0.00 C ATOM 268 O SER A 75 -6.324 2.544 -7.704 1.00 0.00 O ATOM 269 CB SER A 75 -9.291 1.634 -6.893 1.00 0.00 C ATOM 270 OG SER A 75 -9.283 1.871 -8.293 1.00 0.00 O ATOM 0 H SER A 75 -8.621 1.336 -4.463 1.00 0.00 H new ATOM 0 HA SER A 75 -7.505 0.422 -6.918 1.00 0.00 H new ATOM 0 HB2 SER A 75 -9.964 0.808 -6.661 1.00 0.00 H new ATOM 0 HB3 SER A 75 -9.672 2.512 -6.371 1.00 0.00 H new ATOM 0 HG SER A 75 -10.192 2.076 -8.595 1.00 0.00 H new ATOM 276 N THR A 76 -7.062 3.514 -5.808 1.00 0.00 N ATOM 277 CA THR A 76 -6.343 4.736 -6.030 1.00 0.00 C ATOM 278 C THR A 76 -4.953 4.540 -5.505 1.00 0.00 C ATOM 279 O THR A 76 -3.989 5.160 -5.964 1.00 0.00 O ATOM 280 CB THR A 76 -6.998 5.887 -5.327 1.00 0.00 C ATOM 281 OG1 THR A 76 -7.531 5.441 -4.091 1.00 0.00 O ATOM 282 CG2 THR A 76 -8.147 6.397 -6.213 1.00 0.00 C ATOM 0 H THR A 76 -7.598 3.492 -4.940 1.00 0.00 H new ATOM 0 HA THR A 76 -6.332 4.971 -7.094 1.00 0.00 H new ATOM 0 HB THR A 76 -6.273 6.680 -5.144 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.958 6.192 -3.629 1.00 0.00 H new ATOM 0 HG21 THR A 76 -8.640 7.236 -5.722 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.749 6.722 -7.174 1.00 0.00 H new ATOM 0 HG23 THR A 76 -8.868 5.595 -6.372 1.00 0.00 H new ATOM 290 N PHE A 77 -4.840 3.601 -4.546 1.00 0.00 N ATOM 291 CA PHE A 77 -3.582 3.123 -4.071 1.00 0.00 C ATOM 292 C PHE A 77 -2.882 2.562 -5.256 1.00 0.00 C ATOM 293 O PHE A 77 -1.733 2.914 -5.508 1.00 0.00 O ATOM 294 CB PHE A 77 -3.777 1.978 -3.067 1.00 0.00 C ATOM 295 CG PHE A 77 -2.503 1.511 -2.435 1.00 0.00 C ATOM 296 CD1 PHE A 77 -1.572 2.373 -1.881 1.00 0.00 C ATOM 297 CD2 PHE A 77 -2.286 0.149 -2.344 1.00 0.00 C ATOM 298 CE1 PHE A 77 -0.449 1.879 -1.247 1.00 0.00 C ATOM 299 CE2 PHE A 77 -1.173 -0.348 -1.701 1.00 0.00 C ATOM 300 CZ PHE A 77 -0.249 0.516 -1.152 1.00 0.00 C ATOM 0 H PHE A 77 -5.643 3.166 -4.092 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.033 3.929 -3.584 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.462 2.305 -2.285 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.250 1.138 -3.575 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.725 3.440 -1.945 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.998 -0.535 -2.782 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.275 2.560 -0.824 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.024 -1.415 -1.627 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.626 0.129 -0.651 1.00 0.00 H new ATOM 310 N ILE A 78 -3.617 1.707 -6.009 1.00 0.00 N ATOM 311 CA ILE A 78 -3.145 0.912 -7.115 1.00 0.00 C ATOM 312 C ILE A 78 -2.445 1.790 -8.114 1.00 0.00 C ATOM 313 O ILE A 78 -1.421 1.398 -8.673 1.00 0.00 O ATOM 314 CB ILE A 78 -4.252 0.100 -7.789 1.00 0.00 C ATOM 315 CG1 ILE A 78 -3.961 -1.392 -7.546 1.00 0.00 C ATOM 316 CG2 ILE A 78 -4.441 0.392 -9.299 1.00 0.00 C ATOM 317 CD1 ILE A 78 -5.112 -2.321 -7.942 1.00 0.00 C ATOM 0 H ILE A 78 -4.611 1.563 -5.831 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.441 0.185 -6.709 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.199 0.399 -7.339 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.070 -1.674 -8.107 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.734 -1.541 -6.490 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.246 -0.229 -9.692 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.693 1.443 -9.438 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.517 0.167 -9.832 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.831 -3.355 -7.741 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.000 -2.067 -7.363 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -5.326 -2.203 -9.004 1.00 0.00 H new ATOM 329 N ASN A 79 -2.995 3.003 -8.350 1.00 0.00 N ATOM 330 CA ASN A 79 -2.500 3.845 -9.404 1.00 0.00 C ATOM 331 C ASN A 79 -1.242 4.484 -8.979 1.00 0.00 C ATOM 332 O ASN A 79 -0.261 4.533 -9.717 1.00 0.00 O ATOM 333 CB ASN A 79 -3.471 4.946 -9.912 1.00 0.00 C ATOM 334 CG ASN A 79 -3.710 6.229 -9.090 1.00 0.00 C ATOM 335 OD1 ASN A 79 -4.699 6.345 -8.362 1.00 0.00 O ATOM 336 ND2 ASN A 79 -2.825 7.249 -9.317 1.00 0.00 N ATOM 0 H ASN A 79 -3.772 3.396 -7.818 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.359 3.169 -10.248 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.117 5.257 -10.895 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -4.442 4.474 -10.058 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.969 8.157 -8.875 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.022 7.101 -9.928 1.00 0.00 H new ATOM 343 N GLY A 80 -1.291 4.994 -7.746 1.00 0.00 N ATOM 344 CA GLY A 80 -0.205 5.744 -7.168 1.00 0.00 C ATOM 345 C GLY A 80 0.998 4.895 -6.867 1.00 0.00 C ATOM 346 O GLY A 80 2.071 5.438 -6.614 1.00 0.00 O ATOM 0 H GLY A 80 -2.096 4.890 -7.128 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.082 6.543 -7.852 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -0.547 6.219 -6.249 1.00 0.00 H new ATOM 350 N LEU A 81 0.851 3.552 -6.883 1.00 0.00 N ATOM 351 CA LEU A 81 1.989 2.659 -6.836 1.00 0.00 C ATOM 352 C LEU A 81 2.899 2.919 -7.983 1.00 0.00 C ATOM 353 O LEU A 81 4.107 2.987 -7.803 1.00 0.00 O ATOM 354 CB LEU A 81 1.686 1.177 -7.080 1.00 0.00 C ATOM 355 CG LEU A 81 1.370 0.315 -5.841 1.00 0.00 C ATOM 356 CD1 LEU A 81 0.305 0.841 -4.880 1.00 0.00 C ATOM 357 CD2 LEU A 81 1.017 -1.116 -6.256 1.00 0.00 C ATOM 0 H LEU A 81 -0.052 3.080 -6.928 1.00 0.00 H new ATOM 0 HA LEU A 81 2.376 2.842 -5.834 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.839 1.112 -7.763 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.542 0.736 -7.591 1.00 0.00 H new ATOM 0 HG LEU A 81 2.297 0.355 -5.269 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.182 0.140 -4.055 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.614 1.810 -4.489 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.642 0.948 -5.409 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.797 -1.709 -5.368 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.143 -1.101 -6.908 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.859 -1.559 -6.788 1.00 0.00 H new ATOM 369 N LYS A 82 2.327 3.020 -9.198 1.00 0.00 N ATOM 370 CA LYS A 82 3.074 3.119 -10.419 1.00 0.00 C ATOM 371 C LYS A 82 3.738 4.454 -10.469 1.00 0.00 C ATOM 372 O LYS A 82 4.850 4.587 -10.979 1.00 0.00 O ATOM 373 CB LYS A 82 2.156 2.963 -11.647 1.00 0.00 C ATOM 374 CG LYS A 82 2.893 2.956 -12.991 1.00 0.00 C ATOM 375 CD LYS A 82 1.953 2.660 -14.167 1.00 0.00 C ATOM 376 CE LYS A 82 2.641 2.767 -15.531 1.00 0.00 C ATOM 377 NZ LYS A 82 3.754 1.798 -15.631 1.00 0.00 N ATOM 0 H LYS A 82 1.317 3.033 -9.337 1.00 0.00 H new ATOM 0 HA LYS A 82 3.815 2.320 -10.442 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.594 2.034 -11.550 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.430 3.776 -11.649 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.372 3.923 -13.146 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.686 2.208 -12.965 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.543 1.657 -14.052 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.113 3.354 -14.136 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.917 2.581 -16.325 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.019 3.779 -15.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.143 1.814 -16.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.500 2.055 -14.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.403 0.843 -15.415 1.00 0.00 H new ATOM 391 N LYS A 83 3.057 5.470 -9.904 1.00 0.00 N ATOM 392 CA LYS A 83 3.547 6.814 -9.853 1.00 0.00 C ATOM 393 C LYS A 83 4.785 6.874 -9.007 1.00 0.00 C ATOM 394 O LYS A 83 5.725 7.594 -9.337 1.00 0.00 O ATOM 395 CB LYS A 83 2.504 7.770 -9.245 1.00 0.00 C ATOM 396 CG LYS A 83 1.195 7.878 -10.044 1.00 0.00 C ATOM 397 CD LYS A 83 1.345 8.487 -11.443 1.00 0.00 C ATOM 398 CE LYS A 83 -0.004 8.686 -12.142 1.00 0.00 C ATOM 399 NZ LYS A 83 -0.698 7.390 -12.314 1.00 0.00 N ATOM 0 H LYS A 83 2.141 5.353 -9.471 1.00 0.00 H new ATOM 0 HA LYS A 83 3.763 7.122 -10.876 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.271 7.437 -8.234 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.946 8.763 -9.160 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.762 6.883 -10.141 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.487 8.480 -9.475 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.856 9.447 -11.365 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.975 7.839 -12.053 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.626 9.363 -11.557 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.150 9.154 -13.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.920 7.246 -13.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.083 6.620 -11.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -1.579 7.392 -11.762 1.00 0.00 H new ATOM 413 N ALA A 84 4.811 6.107 -7.897 1.00 0.00 N ATOM 414 CA ALA A 84 5.920 6.110 -6.986 1.00 0.00 C ATOM 415 C ALA A 84 7.052 5.305 -7.542 1.00 0.00 C ATOM 416 O ALA A 84 8.156 5.819 -7.709 1.00 0.00 O ATOM 417 CB ALA A 84 5.549 5.528 -5.615 1.00 0.00 C ATOM 0 H ALA A 84 4.054 5.478 -7.629 1.00 0.00 H new ATOM 0 HA ALA A 84 6.212 7.152 -6.858 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.421 5.552 -4.961 1.00 0.00 H new ATOM 0 HB2 ALA A 84 4.748 6.120 -5.173 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.214 4.498 -5.736 1.00 0.00 H new ATOM 423 N GLY A 85 6.783 4.020 -7.836 1.00 0.00 N ATOM 424 CA GLY A 85 7.767 3.084 -8.300 1.00 0.00 C ATOM 425 C GLY A 85 7.801 1.936 -7.346 1.00 0.00 C ATOM 426 O GLY A 85 8.845 1.324 -7.130 1.00 0.00 O ATOM 0 H GLY A 85 5.850 3.616 -7.749 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.520 2.738 -9.304 1.00 0.00 H new ATOM 0 HA3 GLY A 85 8.746 3.559 -8.359 1.00 0.00 H new ATOM 430 N ILE A 86 6.635 1.627 -6.758 1.00 0.00 N ATOM 431 CA ILE A 86 6.443 0.554 -5.849 1.00 0.00 C ATOM 432 C ILE A 86 6.101 -0.589 -6.752 1.00 0.00 C ATOM 433 O ILE A 86 6.944 -1.456 -6.978 1.00 0.00 O ATOM 434 CB ILE A 86 5.389 0.917 -4.839 1.00 0.00 C ATOM 435 CG1 ILE A 86 5.926 2.079 -3.973 1.00 0.00 C ATOM 436 CG2 ILE A 86 4.979 -0.283 -3.970 1.00 0.00 C ATOM 437 CD1 ILE A 86 7.139 1.770 -3.085 1.00 0.00 C ATOM 0 H ILE A 86 5.781 2.158 -6.929 1.00 0.00 H new ATOM 0 HA ILE A 86 7.303 0.301 -5.229 1.00 0.00 H new ATOM 0 HB ILE A 86 4.486 1.229 -5.364 1.00 0.00 H new ATOM 0 HG12 ILE A 86 6.190 2.904 -4.635 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.116 2.430 -3.334 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.216 0.028 -3.256 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.580 -1.073 -4.606 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.850 -0.656 -3.431 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.419 2.664 -2.528 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.885 0.972 -2.387 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.975 1.454 -3.709 1.00 0.00 H new ATOM 449 N GLU A 87 4.870 -0.576 -7.325 1.00 0.00 N ATOM 450 CA GLU A 87 4.374 -1.537 -8.289 1.00 0.00 C ATOM 451 C GLU A 87 4.357 -2.908 -7.690 1.00 0.00 C ATOM 452 O GLU A 87 4.575 -3.911 -8.368 1.00 0.00 O ATOM 453 CB GLU A 87 5.143 -1.545 -9.625 1.00 0.00 C ATOM 454 CG GLU A 87 5.132 -0.175 -10.314 1.00 0.00 C ATOM 455 CD GLU A 87 5.891 -0.280 -11.628 1.00 0.00 C ATOM 456 OE1 GLU A 87 7.116 -0.569 -11.584 1.00 0.00 O ATOM 457 OE2 GLU A 87 5.255 -0.067 -12.694 1.00 0.00 O ATOM 0 H GLU A 87 4.182 0.144 -7.104 1.00 0.00 H new ATOM 0 HA GLU A 87 3.359 -1.221 -8.532 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.174 -1.850 -9.446 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.702 -2.287 -10.291 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.107 0.148 -10.495 1.00 0.00 H new ATOM 0 HG3 GLU A 87 5.593 0.574 -9.671 1.00 0.00 H new ATOM 464 N LEU A 88 4.118 -2.943 -6.370 1.00 0.00 N ATOM 465 CA LEU A 88 4.298 -4.094 -5.551 1.00 0.00 C ATOM 466 C LEU A 88 3.009 -4.289 -4.810 1.00 0.00 C ATOM 467 O LEU A 88 2.462 -3.319 -4.295 1.00 0.00 O ATOM 468 CB LEU A 88 5.432 -3.772 -4.563 1.00 0.00 C ATOM 469 CG LEU A 88 6.641 -4.723 -4.651 1.00 0.00 C ATOM 470 CD1 LEU A 88 7.457 -4.554 -5.946 1.00 0.00 C ATOM 471 CD2 LEU A 88 7.538 -4.577 -3.409 1.00 0.00 C ATOM 0 H LEU A 88 3.784 -2.131 -5.851 1.00 0.00 H new ATOM 0 HA LEU A 88 4.549 -4.990 -6.118 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.774 -2.752 -4.740 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.034 -3.803 -3.549 1.00 0.00 H new ATOM 0 HG LEU A 88 6.237 -5.735 -4.680 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.293 -5.253 -5.943 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.819 -4.755 -6.807 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.837 -3.534 -6.006 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.386 -5.257 -3.491 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.901 -3.551 -3.341 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.964 -4.819 -2.515 1.00 0.00 H new ATOM 483 N ASP A 89 2.474 -5.533 -4.750 1.00 0.00 N ATOM 484 CA ASP A 89 1.231 -5.772 -4.053 1.00 0.00 C ATOM 485 C ASP A 89 1.200 -7.141 -3.488 1.00 0.00 C ATOM 486 O ASP A 89 0.858 -7.292 -2.320 1.00 0.00 O ATOM 487 CB ASP A 89 -0.047 -5.728 -4.921 1.00 0.00 C ATOM 488 CG ASP A 89 -0.399 -4.302 -5.312 1.00 0.00 C ATOM 489 OD1 ASP A 89 -0.659 -3.482 -4.391 1.00 0.00 O ATOM 490 OD2 ASP A 89 -0.430 -4.019 -6.539 1.00 0.00 O ATOM 0 H ASP A 89 2.892 -6.361 -5.175 1.00 0.00 H new ATOM 0 HA ASP A 89 1.217 -4.965 -3.321 1.00 0.00 H new ATOM 0 HB2 ASP A 89 0.100 -6.328 -5.819 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -0.877 -6.173 -4.373 1.00 0.00 H new ATOM 495 N ARG A 90 1.492 -8.152 -4.335 1.00 0.00 N ATOM 496 CA ARG A 90 0.870 -9.449 -4.273 1.00 0.00 C ATOM 497 C ARG A 90 1.318 -10.385 -3.144 1.00 0.00 C ATOM 498 O ARG A 90 1.963 -11.404 -3.382 1.00 0.00 O ATOM 499 CB ARG A 90 1.142 -10.159 -5.621 1.00 0.00 C ATOM 500 CG ARG A 90 0.264 -11.370 -5.960 1.00 0.00 C ATOM 501 CD ARG A 90 0.833 -12.161 -7.141 1.00 0.00 C ATOM 502 NE ARG A 90 -0.027 -13.363 -7.369 1.00 0.00 N ATOM 503 CZ ARG A 90 -0.983 -13.408 -8.345 1.00 0.00 C ATOM 504 NH1 ARG A 90 -1.243 -12.324 -9.130 1.00 0.00 N ATOM 505 NH2 ARG A 90 -1.692 -14.561 -8.534 1.00 0.00 N ATOM 0 H ARG A 90 2.179 -8.067 -5.084 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.182 -9.252 -4.065 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.030 -9.425 -6.419 1.00 0.00 H new ATOM 0 HB3 ARG A 90 2.183 -10.482 -5.630 1.00 0.00 H new ATOM 0 HG2 ARG A 90 0.186 -12.020 -5.089 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -0.745 -11.034 -6.198 1.00 0.00 H new ATOM 0 HD2 ARG A 90 0.859 -11.539 -8.036 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.859 -12.464 -6.934 1.00 0.00 H new ATOM 0 HE ARG A 90 0.105 -14.181 -6.773 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -0.720 -11.459 -8.994 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -1.961 -12.378 -9.853 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -1.505 -15.376 -7.950 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -2.408 -14.606 -9.259 1.00 0.00 H new ATOM 519 N LYS A 91 0.949 -10.057 -1.879 1.00 0.00 N ATOM 520 CA LYS A 91 1.277 -10.705 -0.632 1.00 0.00 C ATOM 521 C LYS A 91 2.742 -10.623 -0.495 1.00 0.00 C ATOM 522 O LYS A 91 3.460 -11.556 -0.139 1.00 0.00 O ATOM 523 CB LYS A 91 0.659 -12.096 -0.359 1.00 0.00 C ATOM 524 CG LYS A 91 -0.876 -12.024 -0.410 1.00 0.00 C ATOM 525 CD LYS A 91 -1.632 -13.082 0.410 1.00 0.00 C ATOM 526 CE LYS A 91 -3.155 -12.854 0.456 1.00 0.00 C ATOM 527 NZ LYS A 91 -3.782 -13.737 1.460 1.00 0.00 N ATOM 0 H LYS A 91 0.353 -9.245 -1.717 1.00 0.00 H new ATOM 0 HA LYS A 91 0.778 -10.169 0.175 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.020 -12.812 -1.098 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.980 -12.457 0.618 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.185 -11.037 -0.064 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.189 -12.109 -1.451 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.433 -14.067 -0.012 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.243 -13.087 1.428 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.365 -11.812 0.698 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.587 -13.047 -0.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.808 -13.569 1.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.597 -14.730 1.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.383 -13.534 2.399 1.00 0.00 H new ATOM 541 N ILE A 92 3.149 -9.405 -0.848 1.00 0.00 N ATOM 542 CA ILE A 92 4.482 -8.996 -1.136 1.00 0.00 C ATOM 543 C ILE A 92 4.627 -7.649 -0.505 1.00 0.00 C ATOM 544 O ILE A 92 5.736 -7.140 -0.335 1.00 0.00 O ATOM 545 CB ILE A 92 4.551 -8.892 -2.647 1.00 0.00 C ATOM 546 CG1 ILE A 92 4.913 -10.259 -3.266 1.00 0.00 C ATOM 547 CG2 ILE A 92 5.448 -7.765 -3.181 1.00 0.00 C ATOM 548 CD1 ILE A 92 6.394 -10.638 -3.172 1.00 0.00 C ATOM 0 H ILE A 92 2.487 -8.634 -0.941 1.00 0.00 H new ATOM 0 HA ILE A 92 5.261 -9.666 -0.771 1.00 0.00 H new ATOM 0 HB ILE A 92 3.549 -8.606 -2.968 1.00 0.00 H new ATOM 0 HG12 ILE A 92 4.323 -11.032 -2.773 1.00 0.00 H new ATOM 0 HG13 ILE A 92 4.620 -10.255 -4.316 1.00 0.00 H new ATOM 0 HG21 ILE A 92 5.432 -7.773 -4.271 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.080 -6.805 -2.819 1.00 0.00 H new ATOM 0 HG23 ILE A 92 6.470 -7.917 -2.832 1.00 0.00 H new ATOM 0 HD11 ILE A 92 6.550 -11.613 -3.633 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.994 -9.891 -3.691 1.00 0.00 H new ATOM 0 HD13 ILE A 92 6.693 -10.680 -2.125 1.00 0.00 H new ATOM 560 N LEU A 93 3.491 -7.041 -0.112 1.00 0.00 N ATOM 561 CA LEU A 93 3.548 -5.674 0.315 1.00 0.00 C ATOM 562 C LEU A 93 2.361 -5.560 1.160 1.00 0.00 C ATOM 563 O LEU A 93 2.348 -4.897 2.191 1.00 0.00 O ATOM 564 CB LEU A 93 3.324 -4.739 -0.845 1.00 0.00 C ATOM 565 CG LEU A 93 2.655 -3.371 -0.575 1.00 0.00 C ATOM 566 CD1 LEU A 93 3.480 -2.249 -1.218 1.00 0.00 C ATOM 567 CD2 LEU A 93 1.185 -3.284 -1.008 1.00 0.00 C ATOM 0 H LEU A 93 2.568 -7.474 -0.089 1.00 0.00 H new ATOM 0 HA LEU A 93 4.502 -5.431 0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.292 -4.548 -1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.716 -5.265 -1.581 1.00 0.00 H new ATOM 0 HG LEU A 93 2.639 -3.252 0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.002 -1.289 -1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.484 -2.247 -0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.541 -2.413 -2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.797 -2.291 -0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.110 -3.467 -2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.603 -4.032 -0.471 1.00 0.00 H new ATOM 579 N ALA A 94 1.324 -6.260 0.698 1.00 0.00 N ATOM 580 CA ALA A 94 0.225 -6.663 1.518 1.00 0.00 C ATOM 581 C ALA A 94 0.701 -7.432 2.692 1.00 0.00 C ATOM 582 O ALA A 94 0.060 -7.405 3.740 1.00 0.00 O ATOM 583 CB ALA A 94 -0.663 -7.691 0.840 1.00 0.00 C ATOM 0 H ALA A 94 1.241 -6.558 -0.274 1.00 0.00 H new ATOM 0 HA ALA A 94 -0.290 -5.731 1.751 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -1.481 -7.961 1.507 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.069 -7.271 -0.080 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.077 -8.580 0.606 1.00 0.00 H new ATOM 589 N ASP A 95 1.829 -8.157 2.530 1.00 0.00 N ATOM 590 CA ASP A 95 2.437 -8.826 3.620 1.00 0.00 C ATOM 591 C ASP A 95 2.815 -7.784 4.594 1.00 0.00 C ATOM 592 O ASP A 95 2.415 -7.822 5.746 1.00 0.00 O ATOM 593 CB ASP A 95 3.648 -9.708 3.233 1.00 0.00 C ATOM 594 CG ASP A 95 5.046 -9.084 3.189 1.00 0.00 C ATOM 595 OD1 ASP A 95 5.342 -8.293 2.262 1.00 0.00 O ATOM 596 OD2 ASP A 95 5.843 -9.411 4.110 1.00 0.00 O ATOM 0 H ASP A 95 2.312 -8.273 1.639 1.00 0.00 H new ATOM 0 HA ASP A 95 1.725 -9.537 4.040 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.683 -10.542 3.934 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.446 -10.128 2.248 1.00 0.00 H new ATOM 601 N MET A 96 3.546 -6.782 4.115 1.00 0.00 N ATOM 602 CA MET A 96 4.069 -5.725 4.926 1.00 0.00 C ATOM 603 C MET A 96 2.939 -4.904 5.511 1.00 0.00 C ATOM 604 O MET A 96 3.126 -4.222 6.508 1.00 0.00 O ATOM 605 CB MET A 96 5.103 -4.908 4.109 1.00 0.00 C ATOM 606 CG MET A 96 4.948 -3.390 3.997 1.00 0.00 C ATOM 607 SD MET A 96 5.213 -2.729 2.324 1.00 0.00 S ATOM 608 CE MET A 96 6.921 -3.278 2.062 1.00 0.00 C ATOM 0 H MET A 96 3.788 -6.695 3.128 1.00 0.00 H new ATOM 0 HA MET A 96 4.609 -6.126 5.784 1.00 0.00 H new ATOM 0 HB2 MET A 96 6.086 -5.105 4.537 1.00 0.00 H new ATOM 0 HB3 MET A 96 5.110 -5.311 3.096 1.00 0.00 H new ATOM 0 HG2 MET A 96 3.947 -3.114 4.329 1.00 0.00 H new ATOM 0 HG3 MET A 96 5.653 -2.914 4.678 1.00 0.00 H new ATOM 0 HE1 MET A 96 7.306 -2.841 1.141 1.00 0.00 H new ATOM 0 HE2 MET A 96 7.539 -2.959 2.901 1.00 0.00 H new ATOM 0 HE3 MET A 96 6.946 -4.365 1.986 1.00 0.00 H new ATOM 618 N ALA A 97 1.722 -4.954 4.938 1.00 0.00 N ATOM 619 CA ALA A 97 0.615 -4.176 5.421 1.00 0.00 C ATOM 620 C ALA A 97 0.235 -4.613 6.798 1.00 0.00 C ATOM 621 O ALA A 97 -0.098 -3.785 7.645 1.00 0.00 O ATOM 622 CB ALA A 97 -0.629 -4.298 4.531 1.00 0.00 C ATOM 0 H ALA A 97 1.501 -5.539 4.132 1.00 0.00 H new ATOM 0 HA ALA A 97 0.949 -3.139 5.415 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.433 -3.689 4.944 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.392 -3.952 3.525 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -0.947 -5.340 4.490 1.00 0.00 H new ATOM 628 N VAL A 98 0.297 -5.935 7.048 1.00 0.00 N ATOM 629 CA VAL A 98 -0.100 -6.490 8.307 1.00 0.00 C ATOM 630 C VAL A 98 1.136 -6.659 9.133 1.00 0.00 C ATOM 631 O VAL A 98 1.168 -6.319 10.315 1.00 0.00 O ATOM 632 CB VAL A 98 -0.722 -7.863 8.179 1.00 0.00 C ATOM 633 CG1 VAL A 98 -1.665 -8.075 9.378 1.00 0.00 C ATOM 634 CG2 VAL A 98 -1.435 -8.017 6.823 1.00 0.00 C ATOM 0 H VAL A 98 0.625 -6.625 6.372 1.00 0.00 H new ATOM 0 HA VAL A 98 -0.837 -5.816 8.745 1.00 0.00 H new ATOM 0 HB VAL A 98 0.045 -8.637 8.199 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.127 -9.060 9.308 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -1.096 -8.006 10.305 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.441 -7.309 9.370 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.874 -9.012 6.754 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.221 -7.267 6.738 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.715 -7.881 6.016 1.00 0.00 H new ATOM 644 N ARG A 99 2.174 -7.232 8.499 1.00 0.00 N ATOM 645 CA ARG A 99 3.297 -7.813 9.167 1.00 0.00 C ATOM 646 C ARG A 99 4.328 -6.770 9.506 1.00 0.00 C ATOM 647 O ARG A 99 4.904 -6.825 10.591 1.00 0.00 O ATOM 648 CB ARG A 99 3.978 -8.929 8.334 1.00 0.00 C ATOM 649 CG ARG A 99 3.177 -10.250 8.217 1.00 0.00 C ATOM 650 CD ARG A 99 2.243 -10.456 7.004 1.00 0.00 C ATOM 651 NE ARG A 99 1.759 -11.868 7.043 1.00 0.00 N ATOM 652 CZ ARG A 99 0.714 -12.260 7.832 1.00 0.00 C ATOM 653 NH1 ARG A 99 -0.003 -11.352 8.554 1.00 0.00 N ATOM 654 NH2 ARG A 99 0.381 -13.584 7.893 1.00 0.00 N ATOM 0 H ARG A 99 2.234 -7.293 7.483 1.00 0.00 H new ATOM 0 HA ARG A 99 2.900 -8.257 10.080 1.00 0.00 H new ATOM 0 HB2 ARG A 99 4.166 -8.547 7.331 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.949 -9.150 8.778 1.00 0.00 H new ATOM 0 HG2 ARG A 99 3.894 -11.071 8.223 1.00 0.00 H new ATOM 0 HG3 ARG A 99 2.572 -10.349 9.118 1.00 0.00 H new ATOM 0 HD2 ARG A 99 1.403 -9.762 7.045 1.00 0.00 H new ATOM 0 HD3 ARG A 99 2.775 -10.259 6.073 1.00 0.00 H new ATOM 0 HE ARG A 99 2.224 -12.564 6.461 1.00 0.00 H new ATOM 0 HH11 ARG A 99 0.237 -10.362 8.511 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -0.780 -11.663 9.137 1.00 0.00 H new ATOM 0 HH21 ARG A 99 0.910 -14.268 7.353 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -0.397 -13.888 8.479 1.00 0.00 H new ATOM 668 N ASP A 100 4.590 -5.803 8.594 1.00 0.00 N ATOM 669 CA ASP A 100 5.575 -4.768 8.790 1.00 0.00 C ATOM 670 C ASP A 100 4.963 -3.409 8.589 1.00 0.00 C ATOM 671 O ASP A 100 5.218 -2.797 7.556 1.00 0.00 O ATOM 672 CB ASP A 100 6.703 -4.899 7.750 1.00 0.00 C ATOM 673 CG ASP A 100 7.984 -4.209 8.212 1.00 0.00 C ATOM 674 OD1 ASP A 100 7.971 -3.527 9.271 1.00 0.00 O ATOM 675 OD2 ASP A 100 9.009 -4.365 7.494 1.00 0.00 O ATOM 0 H ASP A 100 4.106 -5.739 7.699 1.00 0.00 H new ATOM 0 HA ASP A 100 5.959 -4.876 9.804 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.905 -5.954 7.564 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.378 -4.465 6.804 1.00 0.00 H new ATOM 680 N PRO A 101 4.166 -2.870 9.474 1.00 0.00 N ATOM 681 CA PRO A 101 3.384 -1.690 9.198 1.00 0.00 C ATOM 682 C PRO A 101 4.251 -0.467 9.268 1.00 0.00 C ATOM 683 O PRO A 101 3.757 0.612 8.953 1.00 0.00 O ATOM 684 CB PRO A 101 2.312 -1.667 10.293 1.00 0.00 C ATOM 685 CG PRO A 101 2.874 -2.547 11.415 1.00 0.00 C ATOM 686 CD PRO A 101 3.747 -3.552 10.672 1.00 0.00 C ATOM 0 HA PRO A 101 2.944 -1.702 8.201 1.00 0.00 H new ATOM 0 HB2 PRO A 101 2.127 -0.651 10.643 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.363 -2.055 9.924 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.453 -1.964 12.131 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.080 -3.041 11.974 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.604 -3.852 11.275 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.191 -4.459 10.435 1.00 0.00 H new ATOM 694 N GLN A 102 5.534 -0.612 9.660 1.00 0.00 N ATOM 695 CA GLN A 102 6.477 0.461 9.656 1.00 0.00 C ATOM 696 C GLN A 102 6.915 0.676 8.244 1.00 0.00 C ATOM 697 O GLN A 102 7.050 1.814 7.800 1.00 0.00 O ATOM 698 CB GLN A 102 7.737 0.131 10.476 1.00 0.00 C ATOM 699 CG GLN A 102 7.429 -0.172 11.945 1.00 0.00 C ATOM 700 CD GLN A 102 8.748 -0.498 12.643 1.00 0.00 C ATOM 701 OE1 GLN A 102 9.616 0.367 12.808 1.00 0.00 O ATOM 702 NE2 GLN A 102 8.887 -1.795 13.057 1.00 0.00 N ATOM 0 H GLN A 102 5.921 -1.497 9.987 1.00 0.00 H new ATOM 0 HA GLN A 102 5.996 1.336 10.092 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.240 -0.728 10.031 1.00 0.00 H new ATOM 0 HB3 GLN A 102 8.430 0.970 10.421 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.948 0.684 12.418 1.00 0.00 H new ATOM 0 HG3 GLN A 102 6.737 -1.011 12.025 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.136 -2.466 12.893 1.00 0.00 H new ATOM 0 HE22 GLN A 102 9.741 -2.091 13.529 1.00 0.00 H new ATOM 711 N ALA A 103 7.139 -0.432 7.506 1.00 0.00 N ATOM 712 CA ALA A 103 7.570 -0.370 6.139 1.00 0.00 C ATOM 713 C ALA A 103 6.384 -0.055 5.287 1.00 0.00 C ATOM 714 O ALA A 103 6.511 0.662 4.294 1.00 0.00 O ATOM 715 CB ALA A 103 8.184 -1.683 5.637 1.00 0.00 C ATOM 0 H ALA A 103 7.020 -1.380 7.862 1.00 0.00 H new ATOM 0 HA ALA A 103 8.343 0.396 6.077 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.489 -1.568 4.597 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.054 -1.934 6.244 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.446 -2.482 5.713 1.00 0.00 H new ATOM 721 N PHE A 104 5.195 -0.575 5.664 1.00 0.00 N ATOM 722 CA PHE A 104 3.983 -0.156 5.000 1.00 0.00 C ATOM 723 C PHE A 104 3.783 1.328 5.067 1.00 0.00 C ATOM 724 O PHE A 104 3.341 1.922 4.088 1.00 0.00 O ATOM 725 CB PHE A 104 2.694 -0.771 5.560 1.00 0.00 C ATOM 726 CG PHE A 104 1.623 -0.637 4.523 1.00 0.00 C ATOM 727 CD1 PHE A 104 1.667 -1.415 3.381 1.00 0.00 C ATOM 728 CD2 PHE A 104 0.586 0.264 4.674 1.00 0.00 C ATOM 729 CE1 PHE A 104 0.705 -1.302 2.404 1.00 0.00 C ATOM 730 CE2 PHE A 104 -0.377 0.386 3.689 1.00 0.00 C ATOM 731 CZ PHE A 104 -0.323 -0.398 2.554 1.00 0.00 C ATOM 0 H PHE A 104 5.069 -1.265 6.405 1.00 0.00 H new ATOM 0 HA PHE A 104 4.141 -0.507 3.980 1.00 0.00 H new ATOM 0 HB2 PHE A 104 2.851 -1.820 5.811 1.00 0.00 H new ATOM 0 HB3 PHE A 104 2.399 -0.264 6.479 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.471 -2.124 3.254 1.00 0.00 H new ATOM 0 HD2 PHE A 104 0.528 0.874 5.563 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.756 -1.921 1.521 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.178 1.101 3.809 1.00 0.00 H new ATOM 0 HZ PHE A 104 -1.081 -0.303 1.790 1.00 0.00 H new ATOM 741 N GLU A 105 4.105 1.964 6.215 1.00 0.00 N ATOM 742 CA GLU A 105 3.921 3.381 6.392 1.00 0.00 C ATOM 743 C GLU A 105 4.822 4.149 5.463 1.00 0.00 C ATOM 744 O GLU A 105 4.465 5.234 5.013 1.00 0.00 O ATOM 745 CB GLU A 105 4.189 3.810 7.852 1.00 0.00 C ATOM 746 CG GLU A 105 3.556 5.147 8.278 1.00 0.00 C ATOM 747 CD GLU A 105 4.403 6.337 7.838 1.00 0.00 C ATOM 748 OE1 GLU A 105 5.612 6.370 8.192 1.00 0.00 O ATOM 749 OE2 GLU A 105 3.847 7.231 7.146 1.00 0.00 O ATOM 0 H GLU A 105 4.497 1.492 7.030 1.00 0.00 H new ATOM 0 HA GLU A 105 2.881 3.608 6.156 1.00 0.00 H new ATOM 0 HB2 GLU A 105 3.822 3.027 8.515 1.00 0.00 H new ATOM 0 HB3 GLU A 105 5.267 3.875 8.001 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.558 5.231 7.847 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.438 5.165 9.361 1.00 0.00 H new ATOM 756 N GLN A 106 6.005 3.597 5.133 1.00 0.00 N ATOM 757 CA GLN A 106 6.925 4.248 4.240 1.00 0.00 C ATOM 758 C GLN A 106 6.413 4.232 2.836 1.00 0.00 C ATOM 759 O GLN A 106 6.577 5.209 2.108 1.00 0.00 O ATOM 760 CB GLN A 106 8.290 3.547 4.174 1.00 0.00 C ATOM 761 CG GLN A 106 9.125 3.686 5.453 1.00 0.00 C ATOM 762 CD GLN A 106 9.372 5.166 5.748 1.00 0.00 C ATOM 763 OE1 GLN A 106 8.866 5.708 6.739 1.00 0.00 O ATOM 764 NE2 GLN A 106 10.173 5.823 4.857 1.00 0.00 N ATOM 0 H GLN A 106 6.329 2.696 5.485 1.00 0.00 H new ATOM 0 HA GLN A 106 7.028 5.258 4.637 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.134 2.488 3.968 1.00 0.00 H new ATOM 0 HB3 GLN A 106 8.856 3.955 3.337 1.00 0.00 H new ATOM 0 HG2 GLN A 106 8.606 3.220 6.290 1.00 0.00 H new ATOM 0 HG3 GLN A 106 10.075 3.165 5.337 1.00 0.00 H new ATOM 0 HE21 GLN A 106 10.563 5.324 4.057 1.00 0.00 H new ATOM 0 HE22 GLN A 106 10.381 6.812 4.992 1.00 0.00 H new ATOM 773 N VAL A 107 5.783 3.113 2.429 1.00 0.00 N ATOM 774 CA VAL A 107 5.234 2.975 1.103 1.00 0.00 C ATOM 775 C VAL A 107 4.119 3.960 0.955 1.00 0.00 C ATOM 776 O VAL A 107 4.004 4.623 -0.070 1.00 0.00 O ATOM 777 CB VAL A 107 4.692 1.590 0.800 1.00 0.00 C ATOM 778 CG1 VAL A 107 3.890 1.619 -0.516 1.00 0.00 C ATOM 779 CG2 VAL A 107 5.880 0.618 0.696 1.00 0.00 C ATOM 0 H VAL A 107 5.650 2.293 3.021 1.00 0.00 H new ATOM 0 HA VAL A 107 6.049 3.153 0.402 1.00 0.00 H new ATOM 0 HB VAL A 107 4.022 1.260 1.594 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.503 0.622 -0.729 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.059 2.318 -0.420 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.540 1.937 -1.331 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.512 -0.385 0.478 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.546 0.942 -0.104 1.00 0.00 H new ATOM 0 HG23 VAL A 107 6.425 0.607 1.640 1.00 0.00 H new ATOM 789 N VAL A 108 3.287 4.076 2.003 1.00 0.00 N ATOM 790 CA VAL A 108 2.154 4.951 2.056 1.00 0.00 C ATOM 791 C VAL A 108 2.590 6.365 1.903 1.00 0.00 C ATOM 792 O VAL A 108 1.919 7.142 1.232 1.00 0.00 O ATOM 793 CB VAL A 108 1.445 4.777 3.378 1.00 0.00 C ATOM 794 CG1 VAL A 108 0.641 6.016 3.801 1.00 0.00 C ATOM 795 CG2 VAL A 108 0.565 3.534 3.224 1.00 0.00 C ATOM 0 H VAL A 108 3.409 3.533 2.858 1.00 0.00 H new ATOM 0 HA VAL A 108 1.474 4.702 1.242 1.00 0.00 H new ATOM 0 HB VAL A 108 2.168 4.651 4.184 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.156 5.826 4.758 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.312 6.870 3.897 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.116 6.233 3.048 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.023 3.354 4.153 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.147 3.690 2.413 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.191 2.671 2.996 1.00 0.00 H new ATOM 805 N ASN A 109 3.728 6.722 2.522 1.00 0.00 N ATOM 806 CA ASN A 109 4.237 8.062 2.489 1.00 0.00 C ATOM 807 C ASN A 109 4.606 8.421 1.084 1.00 0.00 C ATOM 808 O ASN A 109 4.285 9.514 0.622 1.00 0.00 O ATOM 809 CB ASN A 109 5.481 8.241 3.381 1.00 0.00 C ATOM 810 CG ASN A 109 5.936 9.701 3.330 1.00 0.00 C ATOM 811 OD1 ASN A 109 7.018 10.010 2.819 1.00 0.00 O ATOM 812 ND2 ASN A 109 5.076 10.607 3.887 1.00 0.00 N ATOM 0 H ASN A 109 4.306 6.072 3.055 1.00 0.00 H new ATOM 0 HA ASN A 109 3.450 8.714 2.869 1.00 0.00 H new ATOM 0 HB2 ASN A 109 5.250 7.956 4.407 1.00 0.00 H new ATOM 0 HB3 ASN A 109 6.283 7.586 3.041 1.00 0.00 H new ATOM 0 HD21 ASN A 109 5.315 11.599 3.895 1.00 0.00 H new ATOM 0 HD22 ASN A 109 4.196 10.291 4.294 1.00 0.00 H new ATOM 819 N LYS A 110 5.276 7.496 0.366 1.00 0.00 N ATOM 820 CA LYS A 110 5.730 7.744 -0.976 1.00 0.00 C ATOM 821 C LYS A 110 4.582 7.894 -1.924 1.00 0.00 C ATOM 822 O LYS A 110 4.641 8.724 -2.824 1.00 0.00 O ATOM 823 CB LYS A 110 6.586 6.596 -1.538 1.00 0.00 C ATOM 824 CG LYS A 110 7.956 6.478 -0.858 1.00 0.00 C ATOM 825 CD LYS A 110 8.751 5.238 -1.291 1.00 0.00 C ATOM 826 CE LYS A 110 9.137 5.234 -2.775 1.00 0.00 C ATOM 827 NZ LYS A 110 9.955 4.042 -3.086 1.00 0.00 N ATOM 0 H LYS A 110 5.506 6.567 0.718 1.00 0.00 H new ATOM 0 HA LYS A 110 6.318 8.659 -0.902 1.00 0.00 H new ATOM 0 HB2 LYS A 110 6.046 5.657 -1.419 1.00 0.00 H new ATOM 0 HB3 LYS A 110 6.730 6.748 -2.608 1.00 0.00 H new ATOM 0 HG2 LYS A 110 8.541 7.370 -1.080 1.00 0.00 H new ATOM 0 HG3 LYS A 110 7.815 6.450 0.222 1.00 0.00 H new ATOM 0 HD2 LYS A 110 9.658 5.172 -0.690 1.00 0.00 H new ATOM 0 HD3 LYS A 110 8.161 4.347 -1.077 1.00 0.00 H new ATOM 0 HE2 LYS A 110 8.239 5.239 -3.392 1.00 0.00 H new ATOM 0 HE3 LYS A 110 9.694 6.139 -3.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 10.040 3.939 -4.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 10.902 4.152 -2.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 9.499 3.195 -2.690 1.00 0.00 H new ATOM 841 N VAL A 111 3.527 7.076 -1.749 1.00 0.00 N ATOM 842 CA VAL A 111 2.405 6.974 -2.643 1.00 0.00 C ATOM 843 C VAL A 111 1.384 7.986 -2.280 1.00 0.00 C ATOM 844 O VAL A 111 0.466 8.226 -3.051 1.00 0.00 O ATOM 845 CB VAL A 111 1.849 5.549 -2.579 1.00 0.00 C ATOM 846 CG1 VAL A 111 0.491 5.367 -3.284 1.00 0.00 C ATOM 847 CG2 VAL A 111 2.895 4.597 -3.190 1.00 0.00 C ATOM 0 H VAL A 111 3.450 6.453 -0.945 1.00 0.00 H new ATOM 0 HA VAL A 111 2.712 7.174 -3.669 1.00 0.00 H new ATOM 0 HB VAL A 111 1.661 5.321 -1.530 1.00 0.00 H new ATOM 0 HG11 VAL A 111 0.169 4.330 -3.192 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.250 6.019 -2.821 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.591 5.623 -4.339 1.00 0.00 H new ATOM 0 HG21 VAL A 111 2.520 3.574 -3.155 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.083 4.880 -4.226 1.00 0.00 H new ATOM 0 HG23 VAL A 111 3.823 4.663 -2.622 1.00 0.00 H new ATOM 857 N LYS A 112 1.532 8.671 -1.141 1.00 0.00 N ATOM 858 CA LYS A 112 0.634 9.746 -0.862 1.00 0.00 C ATOM 859 C LYS A 112 1.091 10.906 -1.686 1.00 0.00 C ATOM 860 O LYS A 112 0.303 11.700 -2.191 1.00 0.00 O ATOM 861 CB LYS A 112 0.623 10.147 0.628 1.00 0.00 C ATOM 862 CG LYS A 112 -0.269 11.356 0.948 1.00 0.00 C ATOM 863 CD LYS A 112 -1.674 11.287 0.323 1.00 0.00 C ATOM 864 CE LYS A 112 -2.563 10.153 0.850 1.00 0.00 C ATOM 865 NZ LYS A 112 -2.761 10.270 2.311 1.00 0.00 N ATOM 0 H LYS A 112 2.245 8.494 -0.433 1.00 0.00 H new ATOM 0 HA LYS A 112 -0.383 9.435 -1.102 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.287 9.295 1.219 1.00 0.00 H new ATOM 0 HB3 LYS A 112 1.643 10.370 0.940 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -0.369 11.443 2.030 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.227 12.262 0.600 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -2.180 12.236 0.498 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -1.570 11.175 -0.756 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -3.529 10.179 0.345 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -2.107 9.191 0.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -3.632 9.772 2.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -1.950 9.847 2.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -2.840 11.274 2.571 1.00 0.00 H new ATOM 879 N GLU A 113 2.409 11.009 -1.846 1.00 0.00 N ATOM 880 CA GLU A 113 3.025 12.133 -2.464 1.00 0.00 C ATOM 881 C GLU A 113 3.146 11.955 -3.923 1.00 0.00 C ATOM 882 O GLU A 113 3.363 12.898 -4.678 1.00 0.00 O ATOM 883 CB GLU A 113 4.461 12.176 -2.007 1.00 0.00 C ATOM 884 CG GLU A 113 4.539 12.610 -0.551 1.00 0.00 C ATOM 885 CD GLU A 113 5.988 12.599 -0.098 1.00 0.00 C ATOM 886 OE1 GLU A 113 6.615 11.507 -0.135 1.00 0.00 O ATOM 887 OE2 GLU A 113 6.491 13.685 0.295 1.00 0.00 O ATOM 0 H GLU A 113 3.069 10.294 -1.539 1.00 0.00 H new ATOM 0 HA GLU A 113 2.427 13.009 -2.214 1.00 0.00 H new ATOM 0 HB2 GLU A 113 4.917 11.193 -2.125 1.00 0.00 H new ATOM 0 HB3 GLU A 113 5.028 12.868 -2.631 1.00 0.00 H new ATOM 0 HG2 GLU A 113 4.118 13.609 -0.435 1.00 0.00 H new ATOM 0 HG3 GLU A 113 3.947 11.940 0.072 1.00 0.00 H new ATOM 894 N ALA A 114 3.020 10.696 -4.317 1.00 0.00 N ATOM 895 CA ALA A 114 3.159 10.287 -5.690 1.00 0.00 C ATOM 896 C ALA A 114 1.781 10.230 -6.234 1.00 0.00 C ATOM 897 O ALA A 114 1.567 10.274 -7.444 1.00 0.00 O ATOM 898 CB ALA A 114 3.792 8.906 -5.885 1.00 0.00 C ATOM 0 H ALA A 114 2.816 9.928 -3.678 1.00 0.00 H new ATOM 0 HA ALA A 114 3.821 10.996 -6.187 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.856 8.682 -6.950 1.00 0.00 H new ATOM 0 HB2 ALA A 114 4.792 8.900 -5.452 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.178 8.152 -5.392 1.00 0.00 H new ATOM 904 N LEU A 115 0.805 10.191 -5.310 1.00 0.00 N ATOM 905 CA LEU A 115 -0.578 10.340 -5.667 1.00 0.00 C ATOM 906 C LEU A 115 -0.740 11.810 -5.803 1.00 0.00 C ATOM 907 O LEU A 115 -1.564 12.291 -6.581 1.00 0.00 O ATOM 908 CB LEU A 115 -1.524 9.739 -4.624 1.00 0.00 C ATOM 909 CG LEU A 115 -3.000 9.965 -4.949 1.00 0.00 C ATOM 910 CD1 LEU A 115 -3.470 9.269 -6.242 1.00 0.00 C ATOM 911 CD2 LEU A 115 -3.882 9.545 -3.765 1.00 0.00 C ATOM 0 H LEU A 115 0.970 10.056 -4.313 1.00 0.00 H new ATOM 0 HA LEU A 115 -0.835 9.803 -6.580 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -1.336 8.668 -4.546 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -1.303 10.173 -3.649 1.00 0.00 H new ATOM 0 HG LEU A 115 -3.106 11.035 -5.127 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -4.528 9.477 -6.403 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -2.893 9.644 -7.087 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -3.322 8.193 -6.151 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -4.930 9.713 -4.014 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -3.725 8.488 -3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -3.619 10.136 -2.888 1.00 0.00 H new