USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 589 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 NoAdj-H: A 115 HIS HD1 : A 115 HIS ND1 : A 1 ZNZN :(H bumps) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.0168 K(o=-0.017,f=-0.62) USER MOD Single : A 65 GLN : amide:sc= -0.0654 K(o=-0.065,f=-1.5!) USER MOD Single : A 68 CYS SG : rot 180:sc= -0.0219 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -140:sc= -0.276 (180deg=-1.31!) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 150:sc= -0.0795 (180deg=-0.488) USER MOD Single : A 92 SER OG : rot 180:sc= 0.0642 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.0742 K(o=-0.074,f=-0.65) USER MOD Single : A 96 LYS NZ :NH3+ 156:sc= -0.927 (180deg=-3.47!) USER MOD Single : A 97 LYS NZ :NH3+ -164:sc=-0.00487 (180deg=-0.395) USER MOD Single : A 99 LYS NZ :NH3+ 152:sc= -0.0924 (180deg=-0.586) USER MOD Single : A 104 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0625) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HD1:sc= -1.03 K(o=-1,f=-4.2) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 156:sc= -0.237 (180deg=-0.923) USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 120 GLN : amide:sc= -0.0054 X(o=-0.0054,f=-0.33) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -0.574 K(o=-0.57,f=-5!) USER MOD Single : A 127 LYS NZ :NH3+ 164:sc= -0.103 (180deg=-0.367) USER MOD Single : A 129 LYS NZ :NH3+ 164:sc= -0.0774 (180deg=-0.398) USER MOD Single : A 131 SER OG : rot 68:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 61 -16.902 -5.312 15.120 1.00 0.00 N ATOM 2 CA SER A 61 -15.687 -4.507 15.381 1.00 0.00 C ATOM 3 C SER A 61 -15.520 -3.400 14.347 1.00 0.00 C ATOM 4 O SER A 61 -15.972 -3.511 13.203 1.00 0.00 O ATOM 5 CB SER A 61 -14.440 -5.396 15.404 1.00 0.00 C ATOM 6 OG SER A 61 -13.876 -5.532 14.111 1.00 0.00 O ATOM 0 HA SER A 61 -15.807 -4.043 16.360 1.00 0.00 H new ATOM 0 HB2 SER A 61 -13.700 -4.970 16.082 1.00 0.00 H new ATOM 0 HB3 SER A 61 -14.700 -6.380 15.794 1.00 0.00 H new ATOM 0 HG SER A 61 -13.081 -6.104 14.159 1.00 0.00 H new ATOM 14 N ASN A 62 -14.858 -2.335 14.770 1.00 0.00 N ATOM 15 CA ASN A 62 -14.615 -1.180 13.922 1.00 0.00 C ATOM 16 C ASN A 62 -13.391 -1.392 13.037 1.00 0.00 C ATOM 17 O ASN A 62 -12.330 -1.793 13.513 1.00 0.00 O ATOM 18 CB ASN A 62 -14.410 0.058 14.797 1.00 0.00 C ATOM 19 CG ASN A 62 -15.127 1.279 14.264 1.00 0.00 C ATOM 20 OD1 ASN A 62 -15.341 1.414 13.061 1.00 0.00 O ATOM 21 ND2 ASN A 62 -15.503 2.181 15.164 1.00 0.00 N ATOM 0 H ASN A 62 -14.474 -2.247 15.711 1.00 0.00 H new ATOM 0 HA ASN A 62 -15.481 -1.040 13.275 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -14.764 -0.154 15.806 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -13.344 0.272 14.871 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.990 3.026 14.866 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -15.305 2.028 16.153 1.00 0.00 H new ATOM 28 N ALA A 63 -13.548 -1.120 11.747 1.00 0.00 N ATOM 29 CA ALA A 63 -12.452 -1.259 10.794 1.00 0.00 C ATOM 30 C ALA A 63 -11.824 -2.648 10.851 1.00 0.00 C ATOM 31 O ALA A 63 -10.693 -2.809 11.308 1.00 0.00 O ATOM 32 CB ALA A 63 -11.398 -0.194 11.052 1.00 0.00 C ATOM 0 H ALA A 63 -14.425 -0.801 11.336 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.863 -1.125 9.793 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.584 -0.306 10.336 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.845 0.794 10.942 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.008 -0.305 12.064 1.00 0.00 H new ATOM 38 N GLY A 64 -12.562 -3.648 10.381 1.00 0.00 N ATOM 39 CA GLY A 64 -12.056 -5.008 10.378 1.00 0.00 C ATOM 40 C GLY A 64 -12.017 -5.594 8.981 1.00 0.00 C ATOM 41 O GLY A 64 -12.576 -6.662 8.731 1.00 0.00 O ATOM 0 H GLY A 64 -13.503 -3.541 10.002 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.054 -5.023 10.806 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.684 -5.630 11.015 1.00 0.00 H new ATOM 45 N GLN A 65 -11.352 -4.891 8.071 1.00 0.00 N ATOM 46 CA GLN A 65 -11.249 -5.330 6.684 1.00 0.00 C ATOM 47 C GLN A 65 -9.869 -5.906 6.383 1.00 0.00 C ATOM 48 O GLN A 65 -9.053 -6.106 7.284 1.00 0.00 O ATOM 49 CB GLN A 65 -11.520 -4.155 5.743 1.00 0.00 C ATOM 50 CG GLN A 65 -12.776 -3.369 6.080 1.00 0.00 C ATOM 51 CD GLN A 65 -14.041 -4.043 5.589 1.00 0.00 C ATOM 52 OE1 GLN A 65 -14.016 -4.809 4.627 1.00 0.00 O ATOM 53 NE2 GLN A 65 -15.159 -3.747 6.241 1.00 0.00 N ATOM 0 H GLN A 65 -10.875 -4.012 8.270 1.00 0.00 H new ATOM 0 HA GLN A 65 -11.992 -6.112 6.527 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.664 -3.480 5.766 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -11.602 -4.531 4.723 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -12.837 -3.236 7.160 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -12.706 -2.374 5.640 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -15.132 -3.106 7.034 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -16.044 -4.161 5.949 1.00 0.00 H new ATOM 62 N LEU A 66 -9.619 -6.163 5.103 1.00 0.00 N ATOM 63 CA LEU A 66 -8.341 -6.706 4.662 1.00 0.00 C ATOM 64 C LEU A 66 -7.706 -5.795 3.615 1.00 0.00 C ATOM 65 O LEU A 66 -8.397 -5.027 2.946 1.00 0.00 O ATOM 66 CB LEU A 66 -8.528 -8.110 4.080 1.00 0.00 C ATOM 67 CG LEU A 66 -9.376 -9.060 4.928 1.00 0.00 C ATOM 68 CD1 LEU A 66 -9.471 -10.424 4.263 1.00 0.00 C ATOM 69 CD2 LEU A 66 -8.798 -9.188 6.329 1.00 0.00 C ATOM 0 H LEU A 66 -10.289 -6.003 4.351 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.680 -6.766 5.527 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.987 -8.019 3.096 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.546 -8.559 3.933 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.381 -8.645 5.009 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -10.078 -11.088 4.879 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.932 -10.319 3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.472 -10.845 4.152 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.415 -9.868 6.917 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.783 -9.580 6.269 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.781 -8.208 6.807 1.00 0.00 H new ATOM 81 N CYS A 67 -6.388 -5.889 3.478 1.00 0.00 N ATOM 82 CA CYS A 67 -5.649 -5.082 2.512 1.00 0.00 C ATOM 83 C CYS A 67 -6.316 -5.135 1.134 1.00 0.00 C ATOM 84 O CYS A 67 -7.044 -6.079 0.828 1.00 0.00 O ATOM 85 CB CYS A 67 -4.209 -5.586 2.425 1.00 0.00 C ATOM 86 SG CYS A 67 -3.133 -4.595 1.368 1.00 0.00 S ATOM 0 H CYS A 67 -5.805 -6.521 4.028 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.650 -4.044 2.845 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.786 -5.614 3.429 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.218 -6.611 2.054 1.00 0.00 H new ATOM 91 N CYS A 68 -6.063 -4.120 0.303 1.00 0.00 N ATOM 92 CA CYS A 68 -6.655 -4.069 -1.036 1.00 0.00 C ATOM 93 C CYS A 68 -5.583 -4.042 -2.125 1.00 0.00 C ATOM 94 O CYS A 68 -5.822 -3.565 -3.234 1.00 0.00 O ATOM 95 CB CYS A 68 -7.568 -2.849 -1.176 1.00 0.00 C ATOM 96 SG CYS A 68 -6.691 -1.272 -1.273 1.00 0.00 S ATOM 0 H CYS A 68 -5.459 -3.330 0.531 1.00 0.00 H new ATOM 0 HA CYS A 68 -7.246 -4.976 -1.164 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -8.179 -2.968 -2.071 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.250 -2.821 -0.326 1.00 0.00 H new ATOM 0 HG CYS A 68 -7.551 -0.304 -1.392 1.00 0.00 H new ATOM 102 N LEU A 69 -4.405 -4.558 -1.800 1.00 0.00 N ATOM 103 CA LEU A 69 -3.301 -4.622 -2.749 1.00 0.00 C ATOM 104 C LEU A 69 -2.938 -6.078 -3.004 1.00 0.00 C ATOM 105 O LEU A 69 -3.083 -6.923 -2.120 1.00 0.00 O ATOM 106 CB LEU A 69 -2.078 -3.865 -2.226 1.00 0.00 C ATOM 107 CG LEU A 69 -2.327 -2.404 -1.852 1.00 0.00 C ATOM 108 CD1 LEU A 69 -1.030 -1.738 -1.416 1.00 0.00 C ATOM 109 CD2 LEU A 69 -2.949 -1.651 -3.018 1.00 0.00 C ATOM 0 H LEU A 69 -4.189 -4.941 -0.880 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.617 -4.151 -3.680 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.695 -4.387 -1.349 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.297 -3.901 -2.985 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.026 -2.377 -1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.225 -0.698 -1.153 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.626 -2.261 -0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.309 -1.777 -2.232 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.119 -0.613 -2.732 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.276 -1.686 -3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.899 -2.114 -3.285 1.00 0.00 H new ATOM 121 N ARG A 70 -2.469 -6.371 -4.207 1.00 0.00 N ATOM 122 CA ARG A 70 -2.101 -7.735 -4.561 1.00 0.00 C ATOM 123 C ARG A 70 -0.596 -7.875 -4.741 1.00 0.00 C ATOM 124 O ARG A 70 0.039 -7.050 -5.394 1.00 0.00 O ATOM 125 CB ARG A 70 -2.815 -8.157 -5.846 1.00 0.00 C ATOM 126 CG ARG A 70 -4.305 -7.863 -5.833 1.00 0.00 C ATOM 127 CD ARG A 70 -4.992 -8.396 -7.081 1.00 0.00 C ATOM 128 NE ARG A 70 -5.062 -9.854 -7.089 1.00 0.00 N ATOM 129 CZ ARG A 70 -5.369 -10.568 -8.167 1.00 0.00 C ATOM 130 NH1 ARG A 70 -5.605 -9.961 -9.321 1.00 0.00 N ATOM 131 NH2 ARG A 70 -5.435 -11.890 -8.091 1.00 0.00 N ATOM 0 H ARG A 70 -2.334 -5.687 -4.952 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.409 -8.386 -3.742 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.358 -7.643 -6.692 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.664 -9.225 -6.002 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.757 -8.312 -4.948 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.463 -6.787 -5.761 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.000 -7.985 -7.143 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.453 -8.055 -7.965 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.865 -10.351 -6.221 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.551 -8.944 -9.383 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.840 -10.510 -10.147 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.250 -12.360 -7.205 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.671 -12.437 -8.919 1.00 0.00 H new ATOM 145 N GLU A 71 -0.033 -8.922 -4.154 1.00 0.00 N ATOM 146 CA GLU A 71 1.395 -9.183 -4.263 1.00 0.00 C ATOM 147 C GLU A 71 1.630 -10.488 -5.014 1.00 0.00 C ATOM 148 O GLU A 71 1.319 -11.568 -4.511 1.00 0.00 O ATOM 149 CB GLU A 71 2.037 -9.257 -2.879 1.00 0.00 C ATOM 150 CG GLU A 71 3.529 -9.545 -2.922 1.00 0.00 C ATOM 151 CD GLU A 71 4.003 -10.320 -1.710 1.00 0.00 C ATOM 152 OE1 GLU A 71 3.586 -9.977 -0.585 1.00 0.00 O ATOM 153 OE2 GLU A 71 4.785 -11.278 -1.888 1.00 0.00 O ATOM 0 H GLU A 71 -0.545 -9.606 -3.596 1.00 0.00 H new ATOM 0 HA GLU A 71 1.854 -8.363 -4.815 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.871 -8.314 -2.358 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.541 -10.034 -2.297 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.761 -10.110 -3.825 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.076 -8.604 -2.985 1.00 0.00 H new ATOM 160 N ASP A 72 2.177 -10.381 -6.220 1.00 0.00 N ATOM 161 CA ASP A 72 2.438 -11.553 -7.047 1.00 0.00 C ATOM 162 C ASP A 72 1.159 -12.355 -7.264 1.00 0.00 C ATOM 163 O ASP A 72 1.196 -13.576 -7.417 1.00 0.00 O ATOM 164 CB ASP A 72 3.516 -12.433 -6.414 1.00 0.00 C ATOM 165 CG ASP A 72 4.909 -12.065 -6.890 1.00 0.00 C ATOM 166 OD1 ASP A 72 5.228 -10.857 -6.915 1.00 0.00 O ATOM 167 OD2 ASP A 72 5.679 -12.983 -7.242 1.00 0.00 O ATOM 0 H ASP A 72 2.448 -9.495 -6.646 1.00 0.00 H new ATOM 0 HA ASP A 72 2.799 -11.209 -8.016 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.468 -12.339 -5.329 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.316 -13.478 -6.653 1.00 0.00 H new ATOM 172 N GLY A 73 0.029 -11.655 -7.274 1.00 0.00 N ATOM 173 CA GLY A 73 -1.249 -12.308 -7.486 1.00 0.00 C ATOM 174 C GLY A 73 -1.984 -12.621 -6.197 1.00 0.00 C ATOM 175 O GLY A 73 -3.186 -12.883 -6.216 1.00 0.00 O ATOM 0 H GLY A 73 -0.024 -10.645 -7.139 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.876 -11.670 -8.108 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.089 -13.234 -8.039 1.00 0.00 H new ATOM 179 N GLU A 74 -1.272 -12.593 -5.073 1.00 0.00 N ATOM 180 CA GLU A 74 -1.890 -12.893 -3.785 1.00 0.00 C ATOM 181 C GLU A 74 -2.520 -11.655 -3.160 1.00 0.00 C ATOM 182 O GLU A 74 -1.935 -10.571 -3.166 1.00 0.00 O ATOM 183 CB GLU A 74 -0.872 -13.515 -2.826 1.00 0.00 C ATOM 184 CG GLU A 74 -0.719 -15.018 -2.999 1.00 0.00 C ATOM 185 CD GLU A 74 -2.057 -15.731 -3.075 1.00 0.00 C ATOM 186 OE1 GLU A 74 -2.957 -15.392 -2.278 1.00 0.00 O ATOM 187 OE2 GLU A 74 -2.208 -16.619 -3.941 1.00 0.00 O ATOM 0 H GLU A 74 -0.278 -12.368 -5.028 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.686 -13.615 -3.967 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.097 -13.039 -2.977 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.174 -13.304 -1.800 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.150 -15.220 -3.907 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.143 -15.420 -2.166 1.00 0.00 H new ATOM 194 N ARG A 75 -3.720 -11.837 -2.610 1.00 0.00 N ATOM 195 CA ARG A 75 -4.459 -10.743 -1.992 1.00 0.00 C ATOM 196 C ARG A 75 -3.967 -10.464 -0.575 1.00 0.00 C ATOM 197 O ARG A 75 -4.749 -10.502 0.370 1.00 0.00 O ATOM 198 CB ARG A 75 -5.946 -11.103 -1.947 1.00 0.00 C ATOM 199 CG ARG A 75 -6.880 -9.908 -2.037 1.00 0.00 C ATOM 200 CD ARG A 75 -6.925 -9.355 -3.448 1.00 0.00 C ATOM 201 NE ARG A 75 -7.049 -10.420 -4.448 1.00 0.00 N ATOM 202 CZ ARG A 75 -8.200 -10.821 -4.991 1.00 0.00 C ATOM 203 NH1 ARG A 75 -9.355 -10.269 -4.634 1.00 0.00 N ATOM 204 NH2 ARG A 75 -8.197 -11.791 -5.897 1.00 0.00 N ATOM 0 H ARG A 75 -4.200 -12.736 -2.581 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.300 -9.845 -2.589 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.168 -11.786 -2.767 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -6.150 -11.640 -1.021 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -7.883 -10.202 -1.726 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.548 -9.131 -1.349 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.766 -8.668 -3.542 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.020 -8.779 -3.641 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.194 -10.888 -4.750 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -9.371 -9.527 -3.935 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.226 -10.588 -5.059 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.317 -12.226 -6.175 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.074 -12.101 -6.315 1.00 0.00 H new ATOM 218 N CYS A 76 -2.682 -10.135 -0.456 1.00 0.00 N ATOM 219 CA CYS A 76 -2.050 -9.819 0.830 1.00 0.00 C ATOM 220 C CYS A 76 -2.422 -10.810 1.948 1.00 0.00 C ATOM 221 O CYS A 76 -1.633 -11.693 2.285 1.00 0.00 O ATOM 222 CB CYS A 76 -2.396 -8.384 1.240 1.00 0.00 C ATOM 223 SG CYS A 76 -1.291 -7.686 2.487 1.00 0.00 S ATOM 0 H CYS A 76 -2.045 -10.079 -1.250 1.00 0.00 H new ATOM 0 HA CYS A 76 -0.973 -9.912 0.689 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.374 -7.749 0.354 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -3.417 -8.363 1.622 1.00 0.00 H new ATOM 228 N GLY A 77 -3.611 -10.658 2.528 1.00 0.00 N ATOM 229 CA GLY A 77 -4.031 -11.542 3.599 1.00 0.00 C ATOM 230 C GLY A 77 -3.933 -10.882 4.963 1.00 0.00 C ATOM 231 O GLY A 77 -4.501 -11.373 5.939 1.00 0.00 O ATOM 0 H GLY A 77 -4.289 -9.939 2.275 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.059 -11.858 3.424 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.415 -12.441 3.588 1.00 0.00 H new ATOM 235 N ARG A 78 -3.209 -9.767 5.030 1.00 0.00 N ATOM 236 CA ARG A 78 -3.045 -9.039 6.281 1.00 0.00 C ATOM 237 C ARG A 78 -4.179 -8.038 6.471 1.00 0.00 C ATOM 238 O ARG A 78 -4.625 -7.400 5.517 1.00 0.00 O ATOM 239 CB ARG A 78 -1.699 -8.313 6.300 1.00 0.00 C ATOM 240 CG ARG A 78 -1.018 -8.338 7.658 1.00 0.00 C ATOM 241 CD ARG A 78 0.170 -7.393 7.706 1.00 0.00 C ATOM 242 NE ARG A 78 1.015 -7.642 8.873 1.00 0.00 N ATOM 243 CZ ARG A 78 1.706 -6.702 9.517 1.00 0.00 C ATOM 244 NH1 ARG A 78 1.663 -5.433 9.124 1.00 0.00 N ATOM 245 NH2 ARG A 78 2.446 -7.033 10.566 1.00 0.00 N ATOM 0 H ARG A 78 -2.728 -9.350 4.233 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.072 -9.757 7.101 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.039 -8.769 5.562 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.849 -7.277 5.996 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.735 -8.061 8.430 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.686 -9.352 7.880 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.762 -7.507 6.798 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.186 -6.363 7.728 1.00 0.00 H new ATOM 0 HE ARG A 78 1.080 -8.600 9.217 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.095 -5.167 8.319 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.198 -4.725 9.627 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.485 -8.004 10.877 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.977 -6.317 11.062 1.00 0.00 H new ATOM 259 N ALA A 79 -4.640 -7.903 7.709 1.00 0.00 N ATOM 260 CA ALA A 79 -5.730 -6.986 8.026 1.00 0.00 C ATOM 261 C ALA A 79 -5.441 -5.574 7.529 1.00 0.00 C ATOM 262 O ALA A 79 -4.288 -5.207 7.299 1.00 0.00 O ATOM 263 CB ALA A 79 -5.981 -6.971 9.526 1.00 0.00 C ATOM 0 H ALA A 79 -4.276 -8.417 8.511 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.623 -7.342 7.513 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.796 -6.284 9.752 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.249 -7.973 9.860 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.078 -6.645 10.043 1.00 0.00 H new ATOM 269 N ALA A 80 -6.501 -4.788 7.361 1.00 0.00 N ATOM 270 CA ALA A 80 -6.369 -3.408 6.913 1.00 0.00 C ATOM 271 C ALA A 80 -6.055 -2.506 8.099 1.00 0.00 C ATOM 272 O ALA A 80 -6.406 -2.822 9.235 1.00 0.00 O ATOM 273 CB ALA A 80 -7.640 -2.950 6.212 1.00 0.00 C ATOM 0 H ALA A 80 -7.462 -5.086 7.529 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.548 -3.346 6.199 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.523 -1.917 5.884 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.828 -3.586 5.347 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.481 -3.019 6.902 1.00 0.00 H new ATOM 279 N GLY A 81 -5.402 -1.380 7.836 1.00 0.00 N ATOM 280 CA GLY A 81 -5.041 -0.479 8.912 1.00 0.00 C ATOM 281 C GLY A 81 -5.822 0.820 8.913 1.00 0.00 C ATOM 282 O GLY A 81 -7.002 0.847 9.264 1.00 0.00 O ATOM 0 H GLY A 81 -5.118 -1.077 6.904 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.196 -0.986 9.865 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.977 -0.252 8.841 1.00 0.00 H new ATOM 286 N ASN A 82 -5.154 1.899 8.522 1.00 0.00 N ATOM 287 CA ASN A 82 -5.773 3.220 8.511 1.00 0.00 C ATOM 288 C ASN A 82 -5.465 3.989 7.224 1.00 0.00 C ATOM 289 O ASN A 82 -6.318 4.706 6.703 1.00 0.00 O ATOM 290 CB ASN A 82 -5.275 4.010 9.724 1.00 0.00 C ATOM 291 CG ASN A 82 -6.274 5.036 10.212 1.00 0.00 C ATOM 292 OD1 ASN A 82 -6.920 5.719 9.420 1.00 0.00 O ATOM 293 ND2 ASN A 82 -6.410 5.142 11.528 1.00 0.00 N ATOM 0 H ASN A 82 -4.184 1.886 8.208 1.00 0.00 H new ATOM 0 HA ASN A 82 -6.854 3.091 8.558 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -5.049 3.317 10.534 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -4.343 4.513 9.466 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -7.072 5.811 11.920 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.852 4.554 12.147 1.00 0.00 H new ATOM 300 N ALA A 83 -4.242 3.842 6.721 1.00 0.00 N ATOM 301 CA ALA A 83 -3.826 4.529 5.503 1.00 0.00 C ATOM 302 C ALA A 83 -4.770 4.245 4.340 1.00 0.00 C ATOM 303 O ALA A 83 -5.581 3.321 4.390 1.00 0.00 O ATOM 304 CB ALA A 83 -2.404 4.131 5.136 1.00 0.00 C ATOM 0 H ALA A 83 -3.522 3.253 7.139 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.861 5.600 5.700 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.104 4.650 4.225 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.729 4.403 5.947 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.358 3.054 4.972 1.00 0.00 H new ATOM 310 N SER A 84 -4.649 5.051 3.290 1.00 0.00 N ATOM 311 CA SER A 84 -5.481 4.898 2.103 1.00 0.00 C ATOM 312 C SER A 84 -4.644 5.033 0.836 1.00 0.00 C ATOM 313 O SER A 84 -3.780 5.904 0.741 1.00 0.00 O ATOM 314 CB SER A 84 -6.596 5.945 2.098 1.00 0.00 C ATOM 315 OG SER A 84 -6.062 7.255 2.012 1.00 0.00 O ATOM 0 H SER A 84 -3.980 5.819 3.238 1.00 0.00 H new ATOM 0 HA SER A 84 -5.924 3.902 2.126 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.265 5.765 1.256 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.193 5.850 3.005 1.00 0.00 H new ATOM 0 HG SER A 84 -6.794 7.907 2.009 1.00 0.00 H new ATOM 321 N PHE A 85 -4.901 4.161 -0.132 1.00 0.00 N ATOM 322 CA PHE A 85 -4.184 4.194 -1.399 1.00 0.00 C ATOM 323 C PHE A 85 -4.401 5.539 -2.084 1.00 0.00 C ATOM 324 O PHE A 85 -5.513 6.064 -2.097 1.00 0.00 O ATOM 325 CB PHE A 85 -4.667 3.054 -2.292 1.00 0.00 C ATOM 326 CG PHE A 85 -3.963 2.950 -3.616 1.00 0.00 C ATOM 327 CD1 PHE A 85 -2.689 2.410 -3.703 1.00 0.00 C ATOM 328 CD2 PHE A 85 -4.593 3.362 -4.777 1.00 0.00 C ATOM 329 CE1 PHE A 85 -2.058 2.287 -4.927 1.00 0.00 C ATOM 330 CE2 PHE A 85 -3.972 3.236 -6.003 1.00 0.00 C ATOM 331 CZ PHE A 85 -2.704 2.698 -6.078 1.00 0.00 C ATOM 0 H PHE A 85 -5.601 3.422 -0.063 1.00 0.00 H new ATOM 0 HA PHE A 85 -3.117 4.068 -1.215 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.543 2.113 -1.755 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.735 3.180 -2.473 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.185 2.082 -2.806 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.584 3.788 -4.723 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.063 1.871 -4.984 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.478 3.558 -6.901 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.216 2.598 -7.036 1.00 0.00 H new ATOM 341 N SER A 86 -3.335 6.094 -2.648 1.00 0.00 N ATOM 342 CA SER A 86 -3.418 7.387 -3.315 1.00 0.00 C ATOM 343 C SER A 86 -2.496 7.437 -4.531 1.00 0.00 C ATOM 344 O SER A 86 -2.078 6.402 -5.047 1.00 0.00 O ATOM 345 CB SER A 86 -3.045 8.498 -2.329 1.00 0.00 C ATOM 346 OG SER A 86 -1.675 8.420 -1.974 1.00 0.00 O ATOM 0 H SER A 86 -2.407 5.671 -2.657 1.00 0.00 H new ATOM 0 HA SER A 86 -4.441 7.533 -3.660 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.255 9.471 -2.774 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.662 8.418 -1.434 1.00 0.00 H new ATOM 0 HG SER A 86 -1.459 9.140 -1.345 1.00 0.00 H new ATOM 352 N LYS A 87 -2.228 8.647 -5.014 1.00 0.00 N ATOM 353 CA LYS A 87 -1.346 8.848 -6.159 1.00 0.00 C ATOM 354 C LYS A 87 0.127 8.751 -5.756 1.00 0.00 C ATOM 355 O LYS A 87 0.956 8.248 -6.513 1.00 0.00 O ATOM 356 CB LYS A 87 -1.637 10.202 -6.804 1.00 0.00 C ATOM 357 CG LYS A 87 -3.099 10.380 -7.183 1.00 0.00 C ATOM 358 CD LYS A 87 -3.511 9.400 -8.269 1.00 0.00 C ATOM 359 CE LYS A 87 -5.009 9.144 -8.263 1.00 0.00 C ATOM 360 NZ LYS A 87 -5.503 8.743 -6.917 1.00 0.00 N ATOM 0 H LYS A 87 -2.612 9.509 -4.627 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.540 8.056 -6.882 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.347 10.996 -6.115 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.020 10.313 -7.696 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.725 10.235 -6.303 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.266 11.400 -7.528 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.213 9.790 -9.242 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.981 8.458 -8.128 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.531 10.044 -8.587 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.245 8.361 -8.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.213 7.990 -7.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.708 8.394 -6.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.934 9.564 -6.447 1.00 0.00 H new ATOM 374 N ARG A 88 0.445 9.250 -4.562 1.00 0.00 N ATOM 375 CA ARG A 88 1.816 9.223 -4.054 1.00 0.00 C ATOM 376 C ARG A 88 2.320 7.787 -3.937 1.00 0.00 C ATOM 377 O ARG A 88 3.468 7.499 -4.275 1.00 0.00 O ATOM 378 CB ARG A 88 1.878 9.959 -2.707 1.00 0.00 C ATOM 379 CG ARG A 88 3.178 9.775 -1.924 1.00 0.00 C ATOM 380 CD ARG A 88 3.162 8.533 -1.036 1.00 0.00 C ATOM 381 NE ARG A 88 1.814 8.158 -0.624 1.00 0.00 N ATOM 382 CZ ARG A 88 1.221 8.559 0.498 1.00 0.00 C ATOM 383 NH1 ARG A 88 1.822 9.415 1.313 1.00 0.00 N ATOM 384 NH2 ARG A 88 0.003 8.121 0.790 1.00 0.00 N ATOM 0 H ARG A 88 -0.229 9.678 -3.928 1.00 0.00 H new ATOM 0 HA ARG A 88 2.473 9.736 -4.756 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.728 11.024 -2.886 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.048 9.620 -2.087 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.011 9.706 -2.623 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.353 10.656 -1.306 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.619 7.701 -1.572 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.771 8.715 -0.151 1.00 0.00 H new ATOM 0 HE ARG A 88 1.286 7.542 -1.242 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.749 9.773 1.083 1.00 0.00 H new ATOM 0 HH12 ARG A 88 1.358 9.715 2.170 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.474 7.480 0.156 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.456 8.425 1.649 1.00 0.00 H new ATOM 398 N ILE A 89 1.460 6.886 -3.467 1.00 0.00 N ATOM 399 CA ILE A 89 1.835 5.481 -3.348 1.00 0.00 C ATOM 400 C ILE A 89 1.980 4.875 -4.738 1.00 0.00 C ATOM 401 O ILE A 89 2.860 4.050 -4.983 1.00 0.00 O ATOM 402 CB ILE A 89 0.800 4.667 -2.542 1.00 0.00 C ATOM 403 CG1 ILE A 89 0.549 5.328 -1.184 1.00 0.00 C ATOM 404 CG2 ILE A 89 1.279 3.232 -2.367 1.00 0.00 C ATOM 405 CD1 ILE A 89 -0.219 4.470 -0.206 1.00 0.00 C ATOM 0 H ILE A 89 0.510 7.101 -3.166 1.00 0.00 H new ATOM 0 HA ILE A 89 2.782 5.438 -2.811 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.141 4.648 -3.092 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.508 5.594 -0.740 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.002 6.257 -1.341 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.540 2.669 -1.797 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.411 2.771 -3.346 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.229 3.228 -1.833 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.352 5.014 0.729 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.195 4.225 -0.625 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.335 3.551 -0.015 1.00 0.00 H new ATOM 417 N GLN A 90 1.106 5.301 -5.645 1.00 0.00 N ATOM 418 CA GLN A 90 1.133 4.834 -7.026 1.00 0.00 C ATOM 419 C GLN A 90 2.465 5.191 -7.664 1.00 0.00 C ATOM 420 O GLN A 90 3.092 4.376 -8.341 1.00 0.00 O ATOM 421 CB GLN A 90 -0.008 5.479 -7.816 1.00 0.00 C ATOM 422 CG GLN A 90 0.041 5.206 -9.311 1.00 0.00 C ATOM 423 CD GLN A 90 0.170 6.478 -10.130 1.00 0.00 C ATOM 424 OE1 GLN A 90 -0.825 7.137 -10.435 1.00 0.00 O ATOM 425 NE2 GLN A 90 1.397 6.823 -10.501 1.00 0.00 N ATOM 0 H GLN A 90 0.366 5.974 -5.446 1.00 0.00 H new ATOM 0 HA GLN A 90 1.008 3.751 -7.038 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.958 5.118 -7.422 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.015 6.557 -7.653 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.883 4.550 -9.530 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.863 4.675 -9.610 1.00 0.00 H new ATOM 0 HE21 GLN A 90 2.193 6.248 -10.226 1.00 0.00 H new ATOM 0 HE22 GLN A 90 1.543 7.663 -11.061 1.00 0.00 H new ATOM 434 N LYS A 91 2.885 6.425 -7.430 1.00 0.00 N ATOM 435 CA LYS A 91 4.137 6.928 -7.952 1.00 0.00 C ATOM 436 C LYS A 91 5.310 6.179 -7.325 1.00 0.00 C ATOM 437 O LYS A 91 6.281 5.844 -8.004 1.00 0.00 O ATOM 438 CB LYS A 91 4.211 8.429 -7.673 1.00 0.00 C ATOM 439 CG LYS A 91 4.170 9.284 -8.930 1.00 0.00 C ATOM 440 CD LYS A 91 5.562 9.628 -9.430 1.00 0.00 C ATOM 441 CE LYS A 91 5.785 11.132 -9.445 1.00 0.00 C ATOM 442 NZ LYS A 91 5.571 11.737 -8.101 1.00 0.00 N ATOM 0 H LYS A 91 2.364 7.102 -6.873 1.00 0.00 H new ATOM 0 HA LYS A 91 4.192 6.766 -9.028 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.382 8.711 -7.025 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.130 8.644 -7.127 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.625 8.754 -9.711 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.621 10.203 -8.725 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.308 9.154 -8.792 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.700 9.227 -10.434 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.799 11.346 -9.782 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.107 11.593 -10.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.178 12.575 -7.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.574 12.016 -8.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.812 11.042 -7.365 1.00 0.00 H new ATOM 456 N SER A 92 5.206 5.906 -6.025 1.00 0.00 N ATOM 457 CA SER A 92 6.248 5.172 -5.318 1.00 0.00 C ATOM 458 C SER A 92 6.412 3.785 -5.923 1.00 0.00 C ATOM 459 O SER A 92 7.529 3.321 -6.148 1.00 0.00 O ATOM 460 CB SER A 92 5.915 5.062 -3.827 1.00 0.00 C ATOM 461 OG SER A 92 6.451 6.153 -3.100 1.00 0.00 O ATOM 0 H SER A 92 4.414 6.182 -5.445 1.00 0.00 H new ATOM 0 HA SER A 92 7.186 5.717 -5.421 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.834 5.030 -3.695 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.312 4.127 -3.431 1.00 0.00 H new ATOM 0 HG SER A 92 6.222 6.058 -2.152 1.00 0.00 H new ATOM 467 N ILE A 93 5.286 3.128 -6.186 1.00 0.00 N ATOM 468 CA ILE A 93 5.301 1.800 -6.786 1.00 0.00 C ATOM 469 C ILE A 93 5.894 1.866 -8.190 1.00 0.00 C ATOM 470 O ILE A 93 6.739 1.050 -8.555 1.00 0.00 O ATOM 471 CB ILE A 93 3.879 1.196 -6.856 1.00 0.00 C ATOM 472 CG1 ILE A 93 3.308 1.008 -5.450 1.00 0.00 C ATOM 473 CG2 ILE A 93 3.890 -0.134 -7.602 1.00 0.00 C ATOM 474 CD1 ILE A 93 1.860 0.569 -5.441 1.00 0.00 C ATOM 0 H ILE A 93 4.354 3.494 -5.993 1.00 0.00 H new ATOM 0 HA ILE A 93 5.917 1.158 -6.156 1.00 0.00 H new ATOM 0 HB ILE A 93 3.243 1.891 -7.403 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.907 0.268 -4.919 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.399 1.945 -4.901 1.00 0.00 H new ATOM 0 HG21 ILE A 93 2.879 -0.539 -7.638 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.255 0.021 -8.617 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.544 -0.836 -7.085 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.521 0.455 -4.411 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.249 1.319 -5.944 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.765 -0.384 -5.962 1.00 0.00 H new ATOM 486 N SER A 94 5.445 2.845 -8.971 1.00 0.00 N ATOM 487 CA SER A 94 5.929 3.020 -10.335 1.00 0.00 C ATOM 488 C SER A 94 7.451 3.091 -10.374 1.00 0.00 C ATOM 489 O SER A 94 8.088 2.434 -11.196 1.00 0.00 O ATOM 490 CB SER A 94 5.332 4.282 -10.959 1.00 0.00 C ATOM 491 OG SER A 94 4.266 3.962 -11.835 1.00 0.00 O ATOM 0 H SER A 94 4.746 3.529 -8.681 1.00 0.00 H new ATOM 0 HA SER A 94 5.611 2.153 -10.914 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.974 4.946 -10.172 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.105 4.823 -11.505 1.00 0.00 H new ATOM 0 HG SER A 94 3.900 4.786 -12.220 1.00 0.00 H new ATOM 497 N GLN A 95 8.031 3.895 -9.488 1.00 0.00 N ATOM 498 CA GLN A 95 9.480 4.033 -9.431 1.00 0.00 C ATOM 499 C GLN A 95 10.115 2.726 -8.971 1.00 0.00 C ATOM 500 O GLN A 95 11.238 2.397 -9.353 1.00 0.00 O ATOM 501 CB GLN A 95 9.884 5.173 -8.493 1.00 0.00 C ATOM 502 CG GLN A 95 11.369 5.493 -8.544 1.00 0.00 C ATOM 503 CD GLN A 95 11.782 6.146 -9.849 1.00 0.00 C ATOM 504 OE1 GLN A 95 11.046 6.957 -10.412 1.00 0.00 O ATOM 505 NE2 GLN A 95 12.959 5.783 -10.347 1.00 0.00 N ATOM 0 H GLN A 95 7.523 4.457 -8.805 1.00 0.00 H new ATOM 0 HA GLN A 95 9.839 4.270 -10.432 1.00 0.00 H new ATOM 0 HB2 GLN A 95 9.317 6.067 -8.753 1.00 0.00 H new ATOM 0 HB3 GLN A 95 9.611 4.908 -7.471 1.00 0.00 H new ATOM 0 HG2 GLN A 95 11.623 6.154 -7.715 1.00 0.00 H new ATOM 0 HG3 GLN A 95 11.939 4.575 -8.405 1.00 0.00 H new ATOM 0 HE21 GLN A 95 13.538 5.108 -9.848 1.00 0.00 H new ATOM 0 HE22 GLN A 95 13.284 6.180 -11.229 1.00 0.00 H new ATOM 514 N LYS A 96 9.383 1.984 -8.145 1.00 0.00 N ATOM 515 CA LYS A 96 9.857 0.700 -7.643 1.00 0.00 C ATOM 516 C LYS A 96 9.824 -0.345 -8.746 1.00 0.00 C ATOM 517 O LYS A 96 10.814 -1.030 -9.006 1.00 0.00 O ATOM 518 CB LYS A 96 8.977 0.212 -6.490 1.00 0.00 C ATOM 519 CG LYS A 96 9.178 0.956 -5.184 1.00 0.00 C ATOM 520 CD LYS A 96 8.132 0.544 -4.161 1.00 0.00 C ATOM 521 CE LYS A 96 8.335 1.255 -2.837 1.00 0.00 C ATOM 522 NZ LYS A 96 8.605 2.706 -3.023 1.00 0.00 N ATOM 0 H LYS A 96 8.458 2.251 -7.809 1.00 0.00 H new ATOM 0 HA LYS A 96 10.879 0.839 -7.292 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.932 0.300 -6.786 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.173 -0.847 -6.324 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.175 0.752 -4.794 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.118 2.030 -5.359 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.137 0.768 -4.546 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.178 -0.534 -4.007 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.448 1.127 -2.216 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.167 0.796 -2.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.341 3.222 -2.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 9.617 2.849 -3.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.046 3.063 -3.824 1.00 0.00 H new ATOM 536 N LYS A 97 8.671 -0.448 -9.398 1.00 0.00 N ATOM 537 CA LYS A 97 8.466 -1.424 -10.456 1.00 0.00 C ATOM 538 C LYS A 97 8.335 -2.811 -9.843 1.00 0.00 C ATOM 539 O LYS A 97 9.141 -3.703 -10.106 1.00 0.00 O ATOM 540 CB LYS A 97 9.616 -1.393 -11.464 1.00 0.00 C ATOM 541 CG LYS A 97 9.292 -2.105 -12.768 1.00 0.00 C ATOM 542 CD LYS A 97 8.926 -1.120 -13.867 1.00 0.00 C ATOM 543 CE LYS A 97 8.308 -1.829 -15.062 1.00 0.00 C ATOM 544 NZ LYS A 97 8.945 -3.151 -15.315 1.00 0.00 N ATOM 0 H LYS A 97 7.859 0.139 -9.208 1.00 0.00 H new ATOM 0 HA LYS A 97 7.550 -1.175 -10.991 1.00 0.00 H new ATOM 0 HB2 LYS A 97 9.874 -0.356 -11.679 1.00 0.00 H new ATOM 0 HB3 LYS A 97 10.496 -1.854 -11.015 1.00 0.00 H new ATOM 0 HG2 LYS A 97 10.150 -2.699 -13.082 1.00 0.00 H new ATOM 0 HG3 LYS A 97 8.466 -2.798 -12.609 1.00 0.00 H new ATOM 0 HD2 LYS A 97 8.225 -0.381 -13.478 1.00 0.00 H new ATOM 0 HD3 LYS A 97 9.817 -0.578 -14.184 1.00 0.00 H new ATOM 0 HE2 LYS A 97 7.241 -1.968 -14.890 1.00 0.00 H new ATOM 0 HE3 LYS A 97 8.409 -1.202 -15.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 8.699 -3.478 -16.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.978 -3.059 -15.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 8.604 -3.840 -14.615 1.00 0.00 H new ATOM 558 N VAL A 98 7.315 -2.974 -9.007 1.00 0.00 N ATOM 559 CA VAL A 98 7.069 -4.237 -8.327 1.00 0.00 C ATOM 560 C VAL A 98 5.724 -4.833 -8.729 1.00 0.00 C ATOM 561 O VAL A 98 4.896 -4.164 -9.345 1.00 0.00 O ATOM 562 CB VAL A 98 7.099 -4.052 -6.799 1.00 0.00 C ATOM 563 CG1 VAL A 98 8.485 -3.625 -6.340 1.00 0.00 C ATOM 564 CG2 VAL A 98 6.053 -3.037 -6.364 1.00 0.00 C ATOM 0 H VAL A 98 6.642 -2.241 -8.784 1.00 0.00 H new ATOM 0 HA VAL A 98 7.863 -4.921 -8.627 1.00 0.00 H new ATOM 0 HB VAL A 98 6.863 -5.008 -6.331 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.487 -3.499 -5.257 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.212 -4.389 -6.618 1.00 0.00 H new ATOM 0 HG13 VAL A 98 8.751 -2.681 -6.816 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.089 -2.919 -5.281 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.256 -2.078 -6.840 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.063 -3.386 -6.659 1.00 0.00 H new ATOM 574 N LYS A 99 5.510 -6.095 -8.364 1.00 0.00 N ATOM 575 CA LYS A 99 4.265 -6.787 -8.686 1.00 0.00 C ATOM 576 C LYS A 99 3.166 -6.442 -7.685 1.00 0.00 C ATOM 577 O LYS A 99 2.541 -7.330 -7.106 1.00 0.00 O ATOM 578 CB LYS A 99 4.491 -8.299 -8.701 1.00 0.00 C ATOM 579 CG LYS A 99 5.356 -8.778 -9.854 1.00 0.00 C ATOM 580 CD LYS A 99 4.517 -9.420 -10.948 1.00 0.00 C ATOM 581 CE LYS A 99 5.153 -10.703 -11.459 1.00 0.00 C ATOM 582 NZ LYS A 99 5.268 -11.734 -10.389 1.00 0.00 N ATOM 0 H LYS A 99 6.183 -6.659 -7.845 1.00 0.00 H new ATOM 0 HA LYS A 99 3.945 -6.457 -9.675 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.957 -8.597 -7.762 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.525 -8.801 -8.751 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.913 -7.937 -10.267 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.089 -9.496 -9.487 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.520 -9.635 -10.564 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.396 -8.719 -11.774 1.00 0.00 H new ATOM 0 HE2 LYS A 99 4.558 -11.100 -12.282 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.143 -10.483 -11.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 5.242 -12.682 -10.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 6.166 -11.608 -9.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.476 -11.633 -9.723 1.00 0.00 H new ATOM 596 N ILE A 100 2.931 -5.151 -7.490 1.00 0.00 N ATOM 597 CA ILE A 100 1.903 -4.697 -6.567 1.00 0.00 C ATOM 598 C ILE A 100 1.074 -3.588 -7.198 1.00 0.00 C ATOM 599 O ILE A 100 1.532 -2.453 -7.327 1.00 0.00 O ATOM 600 CB ILE A 100 2.506 -4.187 -5.243 1.00 0.00 C ATOM 601 CG1 ILE A 100 3.424 -5.248 -4.634 1.00 0.00 C ATOM 602 CG2 ILE A 100 1.400 -3.814 -4.267 1.00 0.00 C ATOM 603 CD1 ILE A 100 4.104 -4.798 -3.359 1.00 0.00 C ATOM 0 H ILE A 100 3.439 -4.401 -7.959 1.00 0.00 H new ATOM 0 HA ILE A 100 1.268 -5.555 -6.348 1.00 0.00 H new ATOM 0 HB ILE A 100 3.098 -3.296 -5.450 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.842 -6.146 -4.428 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.185 -5.522 -5.365 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.841 -3.456 -3.337 1.00 0.00 H new ATOM 0 HG22 ILE A 100 0.781 -3.029 -4.701 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.784 -4.690 -4.063 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.739 -5.600 -2.983 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.714 -3.918 -3.563 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.350 -4.552 -2.612 1.00 0.00 H new ATOM 615 N GLU A 101 -0.143 -3.926 -7.601 1.00 0.00 N ATOM 616 CA GLU A 101 -1.034 -2.958 -8.221 1.00 0.00 C ATOM 617 C GLU A 101 -2.449 -3.098 -7.679 1.00 0.00 C ATOM 618 O GLU A 101 -2.869 -4.182 -7.273 1.00 0.00 O ATOM 619 CB GLU A 101 -1.038 -3.124 -9.741 1.00 0.00 C ATOM 620 CG GLU A 101 -1.269 -4.553 -10.203 1.00 0.00 C ATOM 621 CD GLU A 101 0.011 -5.367 -10.245 1.00 0.00 C ATOM 622 OE1 GLU A 101 0.876 -5.067 -11.095 1.00 0.00 O ATOM 623 OE2 GLU A 101 0.148 -6.303 -9.430 1.00 0.00 O ATOM 0 H GLU A 101 -0.535 -4.863 -7.509 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.666 -1.961 -7.977 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.813 -2.486 -10.164 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.085 -2.774 -10.138 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.981 -5.037 -9.534 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.721 -4.542 -11.195 1.00 0.00 H new ATOM 630 N LEU A 102 -3.178 -1.993 -7.678 1.00 0.00 N ATOM 631 CA LEU A 102 -4.543 -1.980 -7.182 1.00 0.00 C ATOM 632 C LEU A 102 -5.461 -2.847 -8.037 1.00 0.00 C ATOM 633 O LEU A 102 -5.362 -2.863 -9.264 1.00 0.00 O ATOM 634 CB LEU A 102 -5.082 -0.553 -7.150 1.00 0.00 C ATOM 635 CG LEU A 102 -6.558 -0.444 -6.778 1.00 0.00 C ATOM 636 CD1 LEU A 102 -6.740 -0.381 -5.271 1.00 0.00 C ATOM 637 CD2 LEU A 102 -7.189 0.755 -7.448 1.00 0.00 C ATOM 0 H LEU A 102 -2.844 -1.091 -8.017 1.00 0.00 H new ATOM 0 HA LEU A 102 -4.525 -2.390 -6.172 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.496 0.027 -6.437 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -4.932 -0.099 -8.130 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.063 -1.341 -7.136 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.801 -0.304 -5.036 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.333 -1.284 -4.817 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.217 0.490 -4.877 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.241 0.815 -7.170 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.677 1.662 -7.128 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.105 0.653 -8.530 1.00 0.00 H new ATOM 649 N ASP A 103 -6.358 -3.561 -7.370 1.00 0.00 N ATOM 650 CA ASP A 103 -7.332 -4.402 -8.050 1.00 0.00 C ATOM 651 C ASP A 103 -8.666 -3.673 -8.066 1.00 0.00 C ATOM 652 O ASP A 103 -8.977 -2.929 -7.136 1.00 0.00 O ATOM 653 CB ASP A 103 -7.477 -5.749 -7.345 1.00 0.00 C ATOM 654 CG ASP A 103 -8.208 -6.776 -8.195 1.00 0.00 C ATOM 655 OD1 ASP A 103 -8.752 -6.394 -9.253 1.00 0.00 O ATOM 656 OD2 ASP A 103 -8.234 -7.964 -7.804 1.00 0.00 O ATOM 0 H ASP A 103 -6.431 -3.574 -6.353 1.00 0.00 H new ATOM 0 HA ASP A 103 -6.996 -4.596 -9.068 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -6.488 -6.130 -7.091 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.015 -5.609 -6.408 1.00 0.00 H new ATOM 661 N LYS A 104 -9.453 -3.875 -9.111 1.00 0.00 N ATOM 662 CA LYS A 104 -10.740 -3.199 -9.219 1.00 0.00 C ATOM 663 C LYS A 104 -11.873 -4.012 -8.594 1.00 0.00 C ATOM 664 O LYS A 104 -12.964 -3.488 -8.373 1.00 0.00 O ATOM 665 CB LYS A 104 -11.049 -2.891 -10.683 1.00 0.00 C ATOM 666 CG LYS A 104 -10.349 -1.644 -11.205 1.00 0.00 C ATOM 667 CD LYS A 104 -11.113 -0.380 -10.836 1.00 0.00 C ATOM 668 CE LYS A 104 -10.499 0.329 -9.638 1.00 0.00 C ATOM 669 NZ LYS A 104 -9.332 1.170 -10.025 1.00 0.00 N ATOM 0 H LYS A 104 -9.228 -4.494 -9.890 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.669 -2.266 -8.660 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -10.756 -3.744 -11.295 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -12.126 -2.769 -10.800 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -9.340 -1.593 -10.795 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -10.250 -1.708 -12.289 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -11.127 0.297 -11.690 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -12.149 -0.635 -10.614 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -11.254 0.954 -9.161 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -10.185 -0.410 -8.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -9.007 1.713 -9.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -8.561 0.559 -10.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -9.612 1.825 -10.782 1.00 0.00 H new ATOM 683 N SER A 105 -11.619 -5.284 -8.306 1.00 0.00 N ATOM 684 CA SER A 105 -12.637 -6.138 -7.703 1.00 0.00 C ATOM 685 C SER A 105 -13.005 -5.646 -6.306 1.00 0.00 C ATOM 686 O SER A 105 -14.081 -5.954 -5.792 1.00 0.00 O ATOM 687 CB SER A 105 -12.147 -7.586 -7.624 1.00 0.00 C ATOM 688 OG SER A 105 -11.452 -7.823 -6.412 1.00 0.00 O ATOM 0 H SER A 105 -10.725 -5.744 -8.478 1.00 0.00 H new ATOM 0 HA SER A 105 -13.524 -6.094 -8.335 1.00 0.00 H new ATOM 0 HB2 SER A 105 -12.996 -8.265 -7.699 1.00 0.00 H new ATOM 0 HB3 SER A 105 -11.493 -7.799 -8.470 1.00 0.00 H new ATOM 0 HG SER A 105 -11.151 -8.755 -6.385 1.00 0.00 H new ATOM 694 N ALA A 106 -12.104 -4.877 -5.695 1.00 0.00 N ATOM 695 CA ALA A 106 -12.326 -4.351 -4.351 1.00 0.00 C ATOM 696 C ALA A 106 -13.319 -3.194 -4.350 1.00 0.00 C ATOM 697 O ALA A 106 -13.941 -2.889 -5.368 1.00 0.00 O ATOM 698 CB ALA A 106 -11.005 -3.913 -3.739 1.00 0.00 C ATOM 0 H ALA A 106 -11.213 -4.605 -6.111 1.00 0.00 H new ATOM 0 HA ALA A 106 -12.757 -5.151 -3.749 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.180 -3.522 -2.737 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -10.329 -4.766 -3.683 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -10.557 -3.136 -4.358 1.00 0.00 H new ATOM 704 N ARG A 107 -13.456 -2.553 -3.193 1.00 0.00 N ATOM 705 CA ARG A 107 -14.374 -1.431 -3.039 1.00 0.00 C ATOM 706 C ARG A 107 -13.730 -0.299 -2.241 1.00 0.00 C ATOM 707 O ARG A 107 -13.641 0.836 -2.711 1.00 0.00 O ATOM 708 CB ARG A 107 -15.650 -1.891 -2.331 1.00 0.00 C ATOM 709 CG ARG A 107 -16.889 -1.844 -3.208 1.00 0.00 C ATOM 710 CD ARG A 107 -18.113 -1.440 -2.404 1.00 0.00 C ATOM 711 NE ARG A 107 -17.865 -0.225 -1.625 1.00 0.00 N ATOM 712 CZ ARG A 107 -17.876 -0.150 -0.288 1.00 0.00 C ATOM 713 NH1 ARG A 107 -18.160 -1.207 0.467 1.00 0.00 N ATOM 714 NH2 ARG A 107 -17.604 1.007 0.300 1.00 0.00 N ATOM 0 H ARG A 107 -12.941 -2.793 -2.346 1.00 0.00 H new ATOM 0 HA ARG A 107 -14.620 -1.059 -4.034 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -15.508 -2.911 -1.973 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -15.813 -1.265 -1.454 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -16.735 -1.136 -4.022 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -17.054 -2.821 -3.662 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -18.954 -1.277 -3.077 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -18.394 -2.252 -1.734 1.00 0.00 H new ATOM 0 HE ARG A 107 -17.668 0.632 -2.142 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -18.377 -2.103 0.030 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -18.161 -1.122 1.483 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -17.389 1.828 -0.265 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -17.610 1.076 1.318 1.00 0.00 H new ATOM 728 N HIS A 108 -13.283 -0.621 -1.032 1.00 0.00 N ATOM 729 CA HIS A 108 -12.667 0.366 -0.153 1.00 0.00 C ATOM 730 C HIS A 108 -11.207 0.619 -0.515 1.00 0.00 C ATOM 731 O HIS A 108 -10.526 -0.254 -1.056 1.00 0.00 O ATOM 732 CB HIS A 108 -12.756 -0.101 1.304 1.00 0.00 C ATOM 733 CG HIS A 108 -11.877 -1.275 1.612 1.00 0.00 C ATOM 734 ND1 HIS A 108 -10.518 -1.164 1.802 1.00 0.00 N ATOM 735 CD2 HIS A 108 -12.167 -2.591 1.758 1.00 0.00 C ATOM 736 CE1 HIS A 108 -10.007 -2.357 2.049 1.00 0.00 C ATOM 737 NE2 HIS A 108 -10.987 -3.240 2.030 1.00 0.00 N ATOM 0 H HIS A 108 -13.336 -1.560 -0.638 1.00 0.00 H new ATOM 0 HA HIS A 108 -13.213 1.301 -0.280 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -12.485 0.727 1.959 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -13.790 -0.362 1.531 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -13.144 -3.045 1.676 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -8.965 -2.573 2.235 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -10.885 -4.242 2.191 1.00 0.00 H new ATOM 746 N LEU A 109 -10.739 1.827 -0.215 1.00 0.00 N ATOM 747 CA LEU A 109 -9.356 2.203 -0.477 1.00 0.00 C ATOM 748 C LEU A 109 -8.592 2.296 0.837 1.00 0.00 C ATOM 749 O LEU A 109 -8.326 3.386 1.345 1.00 0.00 O ATOM 750 CB LEU A 109 -9.284 3.536 -1.223 1.00 0.00 C ATOM 751 CG LEU A 109 -9.833 3.510 -2.651 1.00 0.00 C ATOM 752 CD1 LEU A 109 -9.734 4.888 -3.285 1.00 0.00 C ATOM 753 CD2 LEU A 109 -9.087 2.481 -3.488 1.00 0.00 C ATOM 0 H LEU A 109 -11.301 2.564 0.211 1.00 0.00 H new ATOM 0 HA LEU A 109 -8.902 1.438 -1.106 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.834 4.284 -0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -8.244 3.861 -1.256 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.884 3.225 -2.612 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -10.129 4.851 -4.300 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.311 5.601 -2.697 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -8.690 5.202 -3.313 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.490 2.475 -4.501 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -8.028 2.737 -3.520 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -9.208 1.493 -3.043 1.00 0.00 H new ATOM 765 N TYR A 110 -8.249 1.136 1.383 1.00 0.00 N ATOM 766 CA TYR A 110 -7.528 1.056 2.644 1.00 0.00 C ATOM 767 C TYR A 110 -6.486 -0.048 2.579 1.00 0.00 C ATOM 768 O TYR A 110 -6.805 -1.200 2.287 1.00 0.00 O ATOM 769 CB TYR A 110 -8.491 0.786 3.806 1.00 0.00 C ATOM 770 CG TYR A 110 -9.317 1.986 4.219 1.00 0.00 C ATOM 771 CD1 TYR A 110 -8.852 2.874 5.182 1.00 0.00 C ATOM 772 CD2 TYR A 110 -10.562 2.226 3.651 1.00 0.00 C ATOM 773 CE1 TYR A 110 -9.606 3.967 5.567 1.00 0.00 C ATOM 774 CE2 TYR A 110 -11.320 3.317 4.031 1.00 0.00 C ATOM 775 CZ TYR A 110 -10.839 4.184 4.988 1.00 0.00 C ATOM 776 OH TYR A 110 -11.591 5.271 5.369 1.00 0.00 O ATOM 0 H TYR A 110 -8.462 0.230 0.966 1.00 0.00 H new ATOM 0 HA TYR A 110 -7.034 2.012 2.815 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -9.163 -0.025 3.525 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -7.917 0.441 4.666 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -7.887 2.708 5.637 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -10.943 1.549 2.901 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -9.231 4.648 6.317 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -12.286 3.490 3.580 1.00 0.00 H new ATOM 0 HH TYR A 110 -12.432 5.280 4.866 1.00 0.00 H new ATOM 786 N ILE A 111 -5.240 0.309 2.848 1.00 0.00 N ATOM 787 CA ILE A 111 -4.154 -0.654 2.818 1.00 0.00 C ATOM 788 C ILE A 111 -3.740 -1.053 4.226 1.00 0.00 C ATOM 789 O ILE A 111 -4.123 -0.411 5.204 1.00 0.00 O ATOM 790 CB ILE A 111 -2.929 -0.091 2.074 1.00 0.00 C ATOM 791 CG1 ILE A 111 -2.450 1.200 2.743 1.00 0.00 C ATOM 792 CG2 ILE A 111 -3.265 0.157 0.611 1.00 0.00 C ATOM 793 CD1 ILE A 111 -1.232 1.807 2.084 1.00 0.00 C ATOM 0 H ILE A 111 -4.957 1.259 3.089 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.520 -1.533 2.287 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.124 -0.824 2.121 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.261 1.928 2.730 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.222 0.995 3.789 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.389 0.555 0.099 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.565 -0.780 0.143 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.083 0.875 0.542 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.949 2.718 2.611 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.406 1.096 2.120 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -1.461 2.045 1.045 1.00 0.00 H new ATOM 805 N CYS A 112 -2.960 -2.120 4.322 1.00 0.00 N ATOM 806 CA CYS A 112 -2.485 -2.600 5.611 1.00 0.00 C ATOM 807 C CYS A 112 -1.234 -1.840 6.033 1.00 0.00 C ATOM 808 O CYS A 112 -0.612 -1.154 5.221 1.00 0.00 O ATOM 809 CB CYS A 112 -2.189 -4.098 5.538 1.00 0.00 C ATOM 810 SG CYS A 112 -1.114 -4.569 4.164 1.00 0.00 S ATOM 0 H CYS A 112 -2.643 -2.669 3.523 1.00 0.00 H new ATOM 0 HA CYS A 112 -3.264 -2.429 6.354 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -1.725 -4.412 6.473 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -3.131 -4.640 5.451 1.00 0.00 H new ATOM 815 N ASP A 113 -0.872 -1.956 7.305 1.00 0.00 N ATOM 816 CA ASP A 113 0.312 -1.280 7.819 1.00 0.00 C ATOM 817 C ASP A 113 1.566 -1.808 7.131 1.00 0.00 C ATOM 818 O ASP A 113 2.527 -1.071 6.912 1.00 0.00 O ATOM 819 CB ASP A 113 0.424 -1.474 9.333 1.00 0.00 C ATOM 820 CG ASP A 113 -0.702 -0.797 10.089 1.00 0.00 C ATOM 821 OD1 ASP A 113 -1.328 0.123 9.522 1.00 0.00 O ATOM 822 OD2 ASP A 113 -0.956 -1.185 11.249 1.00 0.00 O ATOM 0 H ASP A 113 -1.379 -2.509 7.996 1.00 0.00 H new ATOM 0 HA ASP A 113 0.218 -0.215 7.608 1.00 0.00 H new ATOM 0 HB2 ASP A 113 0.421 -2.540 9.561 1.00 0.00 H new ATOM 0 HB3 ASP A 113 1.379 -1.077 9.677 1.00 0.00 H new ATOM 827 N TYR A 114 1.539 -3.092 6.790 1.00 0.00 N ATOM 828 CA TYR A 114 2.664 -3.740 6.126 1.00 0.00 C ATOM 829 C TYR A 114 3.047 -3.006 4.845 1.00 0.00 C ATOM 830 O TYR A 114 4.164 -2.504 4.716 1.00 0.00 O ATOM 831 CB TYR A 114 2.307 -5.194 5.807 1.00 0.00 C ATOM 832 CG TYR A 114 3.435 -5.987 5.186 1.00 0.00 C ATOM 833 CD1 TYR A 114 4.503 -6.432 5.955 1.00 0.00 C ATOM 834 CD2 TYR A 114 3.425 -6.304 3.833 1.00 0.00 C ATOM 835 CE1 TYR A 114 5.530 -7.167 5.394 1.00 0.00 C ATOM 836 CE2 TYR A 114 4.449 -7.037 3.264 1.00 0.00 C ATOM 837 CZ TYR A 114 5.499 -7.466 4.049 1.00 0.00 C ATOM 838 OH TYR A 114 6.518 -8.200 3.487 1.00 0.00 O ATOM 0 H TYR A 114 0.745 -3.708 6.964 1.00 0.00 H new ATOM 0 HA TYR A 114 3.520 -3.712 6.800 1.00 0.00 H new ATOM 0 HB2 TYR A 114 1.992 -5.689 6.726 1.00 0.00 H new ATOM 0 HB3 TYR A 114 1.453 -5.207 5.130 1.00 0.00 H new ATOM 0 HD1 TYR A 114 4.531 -6.200 7.009 1.00 0.00 H new ATOM 0 HD2 TYR A 114 2.603 -5.972 3.216 1.00 0.00 H new ATOM 0 HE1 TYR A 114 6.353 -7.505 6.006 1.00 0.00 H new ATOM 0 HE2 TYR A 114 4.427 -7.273 2.210 1.00 0.00 H new ATOM 0 HH TYR A 114 6.343 -8.324 2.531 1.00 0.00 H new ATOM 848 N HIS A 115 2.112 -2.939 3.901 1.00 0.00 N ATOM 849 CA HIS A 115 2.362 -2.275 2.627 1.00 0.00 C ATOM 850 C HIS A 115 2.554 -0.771 2.805 1.00 0.00 C ATOM 851 O HIS A 115 3.371 -0.162 2.113 1.00 0.00 O ATOM 852 CB HIS A 115 1.220 -2.553 1.646 1.00 0.00 C ATOM 853 CG HIS A 115 1.289 -3.919 1.030 1.00 0.00 C ATOM 854 ND1 HIS A 115 0.156 -4.657 0.788 1.00 0.00 N ATOM 855 CD2 HIS A 115 2.372 -4.625 0.625 1.00 0.00 C ATOM 856 CE1 HIS A 115 0.570 -5.788 0.245 1.00 0.00 C ATOM 857 NE2 HIS A 115 1.906 -5.815 0.126 1.00 0.00 N ATOM 0 H HIS A 115 1.177 -3.336 3.995 1.00 0.00 H new ATOM 0 HA HIS A 115 3.287 -2.682 2.219 1.00 0.00 H new ATOM 0 HB2 HIS A 115 0.268 -2.444 2.166 1.00 0.00 H new ATOM 0 HB3 HIS A 115 1.239 -1.803 0.855 1.00 0.00 H new ATOM 0 HD2 HIS A 115 3.404 -4.311 0.684 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -0.084 -6.590 -0.064 1.00 0.00 H new ATOM 0 HE2 HIS A 115 2.467 -6.574 -0.261 1.00 0.00 H new ATOM 865 N LYS A 116 1.808 -0.171 3.728 1.00 0.00 N ATOM 866 CA LYS A 116 1.931 1.263 3.973 1.00 0.00 C ATOM 867 C LYS A 116 3.371 1.619 4.315 1.00 0.00 C ATOM 868 O LYS A 116 3.966 2.503 3.702 1.00 0.00 O ATOM 869 CB LYS A 116 1.012 1.708 5.115 1.00 0.00 C ATOM 870 CG LYS A 116 0.909 3.221 5.246 1.00 0.00 C ATOM 871 CD LYS A 116 0.558 3.647 6.663 1.00 0.00 C ATOM 872 CE LYS A 116 1.749 3.515 7.600 1.00 0.00 C ATOM 873 NZ LYS A 116 2.963 4.186 7.058 1.00 0.00 N ATOM 0 H LYS A 116 1.121 -0.647 4.312 1.00 0.00 H new ATOM 0 HA LYS A 116 1.634 1.783 3.062 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.016 1.295 4.954 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.381 1.293 6.053 1.00 0.00 H new ATOM 0 HG2 LYS A 116 1.856 3.676 4.955 1.00 0.00 H new ATOM 0 HG3 LYS A 116 0.151 3.594 4.557 1.00 0.00 H new ATOM 0 HD2 LYS A 116 0.212 4.681 6.657 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -0.266 3.037 7.033 1.00 0.00 H new ATOM 0 HE2 LYS A 116 1.498 3.947 8.569 1.00 0.00 H new ATOM 0 HE3 LYS A 116 1.963 2.459 7.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 3.601 4.434 7.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 3.452 3.543 6.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 2.685 5.050 6.551 1.00 0.00 H new ATOM 887 N ASN A 117 3.923 0.914 5.295 1.00 0.00 N ATOM 888 CA ASN A 117 5.293 1.144 5.741 1.00 0.00 C ATOM 889 C ASN A 117 6.294 0.800 4.640 1.00 0.00 C ATOM 890 O ASN A 117 7.236 1.551 4.382 1.00 0.00 O ATOM 891 CB ASN A 117 5.582 0.294 6.980 1.00 0.00 C ATOM 892 CG ASN A 117 6.788 0.784 7.756 1.00 0.00 C ATOM 893 OD1 ASN A 117 7.930 0.562 7.357 1.00 0.00 O ATOM 894 ND2 ASN A 117 6.539 1.441 8.882 1.00 0.00 N ATOM 0 H ASN A 117 3.439 0.172 5.800 1.00 0.00 H new ATOM 0 HA ASN A 117 5.400 2.201 5.985 1.00 0.00 H new ATOM 0 HB2 ASN A 117 4.708 0.300 7.632 1.00 0.00 H new ATOM 0 HB3 ASN A 117 5.746 -0.740 6.676 1.00 0.00 H new ATOM 0 HD21 ASN A 117 7.311 1.784 9.454 1.00 0.00 H new ATOM 0 HD22 ASN A 117 5.576 1.603 9.176 1.00 0.00 H new ATOM 901 N LEU A 118 6.078 -0.338 3.995 1.00 0.00 N ATOM 902 CA LEU A 118 6.958 -0.809 2.931 1.00 0.00 C ATOM 903 C LEU A 118 7.119 0.233 1.823 1.00 0.00 C ATOM 904 O LEU A 118 8.236 0.559 1.426 1.00 0.00 O ATOM 905 CB LEU A 118 6.401 -2.111 2.344 1.00 0.00 C ATOM 906 CG LEU A 118 7.382 -2.936 1.505 1.00 0.00 C ATOM 907 CD1 LEU A 118 6.782 -4.293 1.170 1.00 0.00 C ATOM 908 CD2 LEU A 118 7.759 -2.195 0.231 1.00 0.00 C ATOM 0 H LEU A 118 5.293 -0.959 4.192 1.00 0.00 H new ATOM 0 HA LEU A 118 7.943 -0.986 3.363 1.00 0.00 H new ATOM 0 HB2 LEU A 118 6.041 -2.733 3.164 1.00 0.00 H new ATOM 0 HB3 LEU A 118 5.537 -1.868 1.725 1.00 0.00 H new ATOM 0 HG LEU A 118 8.288 -3.090 2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 118 7.491 -4.867 0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.563 -4.832 2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 118 5.861 -4.154 0.604 1.00 0.00 H new ATOM 0 HD21 LEU A 118 8.456 -2.800 -0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 118 6.862 -2.008 -0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 118 8.229 -1.246 0.488 1.00 0.00 H new ATOM 920 N ILE A 119 6.001 0.762 1.342 1.00 0.00 N ATOM 921 CA ILE A 119 6.019 1.734 0.251 1.00 0.00 C ATOM 922 C ILE A 119 6.408 3.145 0.700 1.00 0.00 C ATOM 923 O ILE A 119 7.186 3.822 0.028 1.00 0.00 O ATOM 924 CB ILE A 119 4.645 1.788 -0.448 1.00 0.00 C ATOM 925 CG1 ILE A 119 4.253 0.393 -0.938 1.00 0.00 C ATOM 926 CG2 ILE A 119 4.669 2.778 -1.604 1.00 0.00 C ATOM 927 CD1 ILE A 119 2.892 0.342 -1.601 1.00 0.00 C ATOM 0 H ILE A 119 5.069 0.536 1.689 1.00 0.00 H new ATOM 0 HA ILE A 119 6.786 1.389 -0.443 1.00 0.00 H new ATOM 0 HB ILE A 119 3.899 2.128 0.271 1.00 0.00 H new ATOM 0 HG12 ILE A 119 5.005 0.041 -1.644 1.00 0.00 H new ATOM 0 HG13 ILE A 119 4.262 -0.295 -0.093 1.00 0.00 H new ATOM 0 HG21 ILE A 119 3.690 2.801 -2.084 1.00 0.00 H new ATOM 0 HG22 ILE A 119 4.912 3.772 -1.227 1.00 0.00 H new ATOM 0 HG23 ILE A 119 5.422 2.471 -2.330 1.00 0.00 H new ATOM 0 HD11 ILE A 119 2.682 -0.678 -1.923 1.00 0.00 H new ATOM 0 HD12 ILE A 119 2.129 0.663 -0.891 1.00 0.00 H new ATOM 0 HD13 ILE A 119 2.884 1.004 -2.467 1.00 0.00 H new ATOM 939 N GLN A 120 5.869 3.585 1.828 1.00 0.00 N ATOM 940 CA GLN A 120 6.141 4.929 2.337 1.00 0.00 C ATOM 941 C GLN A 120 7.613 5.158 2.684 1.00 0.00 C ATOM 942 O GLN A 120 8.109 6.279 2.563 1.00 0.00 O ATOM 943 CB GLN A 120 5.292 5.203 3.580 1.00 0.00 C ATOM 944 CG GLN A 120 3.940 5.814 3.277 1.00 0.00 C ATOM 945 CD GLN A 120 3.981 7.329 3.239 1.00 0.00 C ATOM 946 OE1 GLN A 120 4.302 7.928 2.214 1.00 0.00 O ATOM 947 NE2 GLN A 120 3.647 7.957 4.360 1.00 0.00 N ATOM 0 H GLN A 120 5.240 3.033 2.411 1.00 0.00 H new ATOM 0 HA GLN A 120 5.883 5.617 1.532 1.00 0.00 H new ATOM 0 HB2 GLN A 120 5.144 4.268 4.120 1.00 0.00 H new ATOM 0 HB3 GLN A 120 5.841 5.871 4.243 1.00 0.00 H new ATOM 0 HG2 GLN A 120 3.583 5.440 2.318 1.00 0.00 H new ATOM 0 HG3 GLN A 120 3.222 5.492 4.032 1.00 0.00 H new ATOM 0 HE21 GLN A 120 3.387 7.420 5.187 1.00 0.00 H new ATOM 0 HE22 GLN A 120 3.650 8.976 4.394 1.00 0.00 H new ATOM 956 N SER A 121 8.316 4.109 3.101 1.00 0.00 N ATOM 957 CA SER A 121 9.704 4.256 3.521 1.00 0.00 C ATOM 958 C SER A 121 10.730 3.708 2.523 1.00 0.00 C ATOM 959 O SER A 121 11.591 2.909 2.889 1.00 0.00 O ATOM 960 CB SER A 121 9.881 3.577 4.873 1.00 0.00 C ATOM 961 OG SER A 121 9.750 4.509 5.933 1.00 0.00 O ATOM 0 H SER A 121 7.952 3.158 3.157 1.00 0.00 H new ATOM 0 HA SER A 121 9.901 5.326 3.582 1.00 0.00 H new ATOM 0 HB2 SER A 121 9.139 2.786 4.986 1.00 0.00 H new ATOM 0 HB3 SER A 121 10.862 3.103 4.920 1.00 0.00 H new ATOM 0 HG SER A 121 9.866 4.048 6.790 1.00 0.00 H new ATOM 967 N VAL A 122 10.653 4.148 1.275 1.00 0.00 N ATOM 968 CA VAL A 122 11.619 3.723 0.261 1.00 0.00 C ATOM 969 C VAL A 122 12.097 4.927 -0.546 1.00 0.00 C ATOM 970 O VAL A 122 13.280 5.045 -0.863 1.00 0.00 O ATOM 971 CB VAL A 122 11.051 2.646 -0.685 1.00 0.00 C ATOM 972 CG1 VAL A 122 12.066 2.286 -1.762 1.00 0.00 C ATOM 973 CG2 VAL A 122 10.652 1.409 0.106 1.00 0.00 C ATOM 0 H VAL A 122 9.939 4.794 0.938 1.00 0.00 H new ATOM 0 HA VAL A 122 12.460 3.275 0.790 1.00 0.00 H new ATOM 0 HB VAL A 122 10.164 3.049 -1.174 1.00 0.00 H new ATOM 0 HG11 VAL A 122 11.645 1.525 -2.419 1.00 0.00 H new ATOM 0 HG12 VAL A 122 12.308 3.174 -2.345 1.00 0.00 H new ATOM 0 HG13 VAL A 122 12.972 1.901 -1.294 1.00 0.00 H new ATOM 0 HG21 VAL A 122 10.252 0.656 -0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 122 11.526 1.008 0.619 1.00 0.00 H new ATOM 0 HG23 VAL A 122 9.891 1.676 0.840 1.00 0.00 H new ATOM 983 N ARG A 123 11.169 5.816 -0.878 1.00 0.00 N ATOM 984 CA ARG A 123 11.499 7.025 -1.616 1.00 0.00 C ATOM 985 C ARG A 123 11.358 8.238 -0.703 1.00 0.00 C ATOM 986 O ARG A 123 10.354 8.950 -0.734 1.00 0.00 O ATOM 987 CB ARG A 123 10.600 7.155 -2.846 1.00 0.00 C ATOM 988 CG ARG A 123 10.460 5.841 -3.601 1.00 0.00 C ATOM 989 CD ARG A 123 9.656 5.969 -4.889 1.00 0.00 C ATOM 990 NE ARG A 123 8.837 7.183 -4.939 1.00 0.00 N ATOM 991 CZ ARG A 123 9.115 8.252 -5.688 1.00 0.00 C ATOM 992 NH1 ARG A 123 10.237 8.322 -6.398 1.00 0.00 N ATOM 993 NH2 ARG A 123 8.271 9.274 -5.709 1.00 0.00 N ATOM 0 H ARG A 123 10.180 5.720 -0.646 1.00 0.00 H new ATOM 0 HA ARG A 123 12.532 6.969 -1.960 1.00 0.00 H new ATOM 0 HB2 ARG A 123 9.614 7.501 -2.537 1.00 0.00 H new ATOM 0 HB3 ARG A 123 11.009 7.913 -3.514 1.00 0.00 H new ATOM 0 HG2 ARG A 123 11.453 5.458 -3.837 1.00 0.00 H new ATOM 0 HG3 ARG A 123 9.981 5.107 -2.953 1.00 0.00 H new ATOM 0 HD2 ARG A 123 10.339 5.964 -5.738 1.00 0.00 H new ATOM 0 HD3 ARG A 123 9.010 5.098 -4.995 1.00 0.00 H new ATOM 0 HE ARG A 123 7.997 7.213 -4.362 1.00 0.00 H new ATOM 0 HH11 ARG A 123 10.903 7.550 -6.376 1.00 0.00 H new ATOM 0 HH12 ARG A 123 10.431 9.148 -6.964 1.00 0.00 H new ATOM 0 HH21 ARG A 123 7.415 9.240 -5.155 1.00 0.00 H new ATOM 0 HH22 ARG A 123 8.477 10.094 -6.279 1.00 0.00 H new ATOM 1007 N ASN A 124 12.375 8.446 0.127 1.00 0.00 N ATOM 1008 CA ASN A 124 12.390 9.551 1.075 1.00 0.00 C ATOM 1009 C ASN A 124 13.567 10.490 0.819 1.00 0.00 C ATOM 1010 O ASN A 124 13.920 11.298 1.678 1.00 0.00 O ATOM 1011 CB ASN A 124 12.473 9.002 2.501 1.00 0.00 C ATOM 1012 CG ASN A 124 13.589 7.986 2.658 1.00 0.00 C ATOM 1013 OD1 ASN A 124 14.611 8.057 1.974 1.00 0.00 O ATOM 1014 ND2 ASN A 124 13.399 7.030 3.562 1.00 0.00 N ATOM 0 H ASN A 124 13.207 7.856 0.161 1.00 0.00 H new ATOM 0 HA ASN A 124 11.469 10.120 0.947 1.00 0.00 H new ATOM 0 HB2 ASN A 124 12.633 9.825 3.197 1.00 0.00 H new ATOM 0 HB3 ASN A 124 11.522 8.540 2.767 1.00 0.00 H new ATOM 0 HD21 ASN A 124 14.115 6.319 3.710 1.00 0.00 H new ATOM 0 HD22 ASN A 124 12.537 7.008 4.108 1.00 0.00 H new ATOM 1021 N ARG A 125 14.169 10.387 -0.362 1.00 0.00 N ATOM 1022 CA ARG A 125 15.309 11.230 -0.704 1.00 0.00 C ATOM 1023 C ARG A 125 15.027 12.077 -1.938 1.00 0.00 C ATOM 1024 O ARG A 125 15.122 11.598 -3.069 1.00 0.00 O ATOM 1025 CB ARG A 125 16.559 10.377 -0.933 1.00 0.00 C ATOM 1026 CG ARG A 125 17.135 9.784 0.342 1.00 0.00 C ATOM 1027 CD ARG A 125 18.464 9.088 0.086 1.00 0.00 C ATOM 1028 NE ARG A 125 19.504 10.025 -0.331 1.00 0.00 N ATOM 1029 CZ ARG A 125 20.803 9.737 -0.320 1.00 0.00 C ATOM 1030 NH1 ARG A 125 21.216 8.542 0.078 1.00 0.00 N ATOM 1031 NH2 ARG A 125 21.689 10.645 -0.708 1.00 0.00 N ATOM 0 H ARG A 125 13.889 9.733 -1.093 1.00 0.00 H new ATOM 0 HA ARG A 125 15.483 11.901 0.137 1.00 0.00 H new ATOM 0 HB2 ARG A 125 16.315 9.568 -1.622 1.00 0.00 H new ATOM 0 HB3 ARG A 125 17.322 10.988 -1.416 1.00 0.00 H new ATOM 0 HG2 ARG A 125 17.273 10.573 1.081 1.00 0.00 H new ATOM 0 HG3 ARG A 125 16.426 9.072 0.765 1.00 0.00 H new ATOM 0 HD2 ARG A 125 18.783 8.573 0.992 1.00 0.00 H new ATOM 0 HD3 ARG A 125 18.332 8.328 -0.684 1.00 0.00 H new ATOM 0 HE ARG A 125 19.219 10.951 -0.648 1.00 0.00 H new ATOM 0 HH11 ARG A 125 20.538 7.841 0.377 1.00 0.00 H new ATOM 0 HH12 ARG A 125 22.212 8.323 0.086 1.00 0.00 H new ATOM 0 HH21 ARG A 125 21.375 11.565 -1.015 1.00 0.00 H new ATOM 0 HH22 ARG A 125 22.684 10.423 -0.699 1.00 0.00 H new ATOM 1045 N ARG A 126 14.677 13.339 -1.713 1.00 0.00 N ATOM 1046 CA ARG A 126 14.404 14.263 -2.805 1.00 0.00 C ATOM 1047 C ARG A 126 15.718 14.767 -3.391 1.00 0.00 C ATOM 1048 O ARG A 126 15.997 14.586 -4.576 1.00 0.00 O ATOM 1049 CB ARG A 126 13.556 15.436 -2.307 1.00 0.00 C ATOM 1050 CG ARG A 126 12.982 16.289 -3.425 1.00 0.00 C ATOM 1051 CD ARG A 126 11.840 17.166 -2.932 1.00 0.00 C ATOM 1052 NE ARG A 126 10.854 17.407 -3.982 1.00 0.00 N ATOM 1053 CZ ARG A 126 9.718 18.069 -3.790 1.00 0.00 C ATOM 1054 NH1 ARG A 126 9.432 18.574 -2.598 1.00 0.00 N ATOM 1055 NH2 ARG A 126 8.866 18.229 -4.794 1.00 0.00 N ATOM 0 H ARG A 126 14.576 13.745 -0.783 1.00 0.00 H new ATOM 0 HA ARG A 126 13.846 13.742 -3.583 1.00 0.00 H new ATOM 0 HB2 ARG A 126 12.738 15.050 -1.699 1.00 0.00 H new ATOM 0 HB3 ARG A 126 14.166 16.065 -1.658 1.00 0.00 H new ATOM 0 HG2 ARG A 126 13.768 16.917 -3.845 1.00 0.00 H new ATOM 0 HG3 ARG A 126 12.626 15.645 -4.229 1.00 0.00 H new ATOM 0 HD2 ARG A 126 11.356 16.689 -2.080 1.00 0.00 H new ATOM 0 HD3 ARG A 126 12.238 18.118 -2.580 1.00 0.00 H new ATOM 0 HE ARG A 126 11.048 17.047 -4.916 1.00 0.00 H new ATOM 0 HH11 ARG A 126 10.085 18.455 -1.824 1.00 0.00 H new ATOM 0 HH12 ARG A 126 8.559 19.081 -2.455 1.00 0.00 H new ATOM 0 HH21 ARG A 126 9.083 17.844 -5.713 1.00 0.00 H new ATOM 0 HH22 ARG A 126 7.994 18.737 -4.647 1.00 0.00 H new ATOM 1069 N LYS A 127 16.522 15.397 -2.540 1.00 0.00 N ATOM 1070 CA LYS A 127 17.830 15.918 -2.933 1.00 0.00 C ATOM 1071 C LYS A 127 17.759 16.867 -4.127 1.00 0.00 C ATOM 1072 O LYS A 127 17.944 16.455 -5.271 1.00 0.00 O ATOM 1073 CB LYS A 127 18.788 14.766 -3.246 1.00 0.00 C ATOM 1074 CG LYS A 127 19.881 14.588 -2.204 1.00 0.00 C ATOM 1075 CD LYS A 127 20.916 13.567 -2.645 1.00 0.00 C ATOM 1076 CE LYS A 127 21.586 13.977 -3.947 1.00 0.00 C ATOM 1077 NZ LYS A 127 22.029 15.399 -3.921 1.00 0.00 N ATOM 0 H LYS A 127 16.288 15.561 -1.561 1.00 0.00 H new ATOM 0 HA LYS A 127 18.202 16.494 -2.086 1.00 0.00 H new ATOM 0 HB2 LYS A 127 18.218 13.840 -3.325 1.00 0.00 H new ATOM 0 HB3 LYS A 127 19.249 14.941 -4.218 1.00 0.00 H new ATOM 0 HG2 LYS A 127 20.369 15.545 -2.021 1.00 0.00 H new ATOM 0 HG3 LYS A 127 19.436 14.271 -1.260 1.00 0.00 H new ATOM 0 HD2 LYS A 127 21.671 13.453 -1.867 1.00 0.00 H new ATOM 0 HD3 LYS A 127 20.439 12.595 -2.771 1.00 0.00 H new ATOM 0 HE2 LYS A 127 22.445 13.333 -4.131 1.00 0.00 H new ATOM 0 HE3 LYS A 127 20.892 13.828 -4.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 22.706 15.566 -4.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 21.205 16.022 -4.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 22.485 15.604 -3.009 1.00 0.00 H new ATOM 1091 N ARG A 128 17.502 18.141 -3.838 1.00 0.00 N ATOM 1092 CA ARG A 128 17.435 19.188 -4.859 1.00 0.00 C ATOM 1093 C ARG A 128 16.979 20.499 -4.227 1.00 0.00 C ATOM 1094 O ARG A 128 16.922 20.614 -3.004 1.00 0.00 O ATOM 1095 CB ARG A 128 16.500 18.805 -6.014 1.00 0.00 C ATOM 1096 CG ARG A 128 15.041 18.654 -5.618 1.00 0.00 C ATOM 1097 CD ARG A 128 14.124 19.169 -6.718 1.00 0.00 C ATOM 1098 NE ARG A 128 12.974 18.296 -6.938 1.00 0.00 N ATOM 1099 CZ ARG A 128 11.994 18.575 -7.792 1.00 0.00 C ATOM 1100 NH1 ARG A 128 12.015 19.708 -8.483 1.00 0.00 N ATOM 1101 NH2 ARG A 128 10.990 17.725 -7.953 1.00 0.00 N ATOM 0 H ARG A 128 17.334 18.478 -2.890 1.00 0.00 H new ATOM 0 HA ARG A 128 18.435 19.310 -5.275 1.00 0.00 H new ATOM 0 HB2 ARG A 128 16.576 19.564 -6.793 1.00 0.00 H new ATOM 0 HB3 ARG A 128 16.845 17.867 -6.448 1.00 0.00 H new ATOM 0 HG2 ARG A 128 14.821 17.606 -5.417 1.00 0.00 H new ATOM 0 HG3 ARG A 128 14.852 19.202 -4.695 1.00 0.00 H new ATOM 0 HD2 ARG A 128 13.774 20.168 -6.458 1.00 0.00 H new ATOM 0 HD3 ARG A 128 14.689 19.261 -7.645 1.00 0.00 H new ATOM 0 HE ARG A 128 12.920 17.426 -6.408 1.00 0.00 H new ATOM 0 HH11 ARG A 128 12.784 20.367 -8.359 1.00 0.00 H new ATOM 0 HH12 ARG A 128 11.262 19.920 -9.138 1.00 0.00 H new ATOM 0 HH21 ARG A 128 10.968 16.855 -7.421 1.00 0.00 H new ATOM 0 HH22 ARG A 128 10.239 17.941 -8.609 1.00 0.00 H new ATOM 1115 N LYS A 129 16.669 21.494 -5.056 1.00 0.00 N ATOM 1116 CA LYS A 129 16.216 22.785 -4.544 1.00 0.00 C ATOM 1117 C LYS A 129 15.524 23.617 -5.627 1.00 0.00 C ATOM 1118 O LYS A 129 14.314 23.509 -5.821 1.00 0.00 O ATOM 1119 CB LYS A 129 17.387 23.576 -3.940 1.00 0.00 C ATOM 1120 CG LYS A 129 17.331 23.696 -2.428 1.00 0.00 C ATOM 1121 CD LYS A 129 18.452 24.579 -1.896 1.00 0.00 C ATOM 1122 CE LYS A 129 18.296 26.025 -2.346 1.00 0.00 C ATOM 1123 NZ LYS A 129 16.984 26.599 -1.939 1.00 0.00 N ATOM 0 H LYS A 129 16.722 21.433 -6.073 1.00 0.00 H new ATOM 0 HA LYS A 129 15.486 22.580 -3.761 1.00 0.00 H new ATOM 0 HB2 LYS A 129 18.323 23.094 -4.222 1.00 0.00 H new ATOM 0 HB3 LYS A 129 17.400 24.576 -4.374 1.00 0.00 H new ATOM 0 HG2 LYS A 129 16.368 24.110 -2.130 1.00 0.00 H new ATOM 0 HG3 LYS A 129 17.404 22.705 -1.980 1.00 0.00 H new ATOM 0 HD2 LYS A 129 18.462 24.537 -0.807 1.00 0.00 H new ATOM 0 HD3 LYS A 129 19.412 24.193 -2.239 1.00 0.00 H new ATOM 0 HE2 LYS A 129 19.101 26.625 -1.922 1.00 0.00 H new ATOM 0 HE3 LYS A 129 18.395 26.080 -3.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 17.019 27.635 -2.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 16.236 26.231 -2.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 16.779 26.332 -0.955 1.00 0.00 H new ATOM 1137 N GLY A 130 16.303 24.420 -6.349 1.00 0.00 N ATOM 1138 CA GLY A 130 15.748 25.284 -7.372 1.00 0.00 C ATOM 1139 C GLY A 130 16.340 26.679 -7.301 1.00 0.00 C ATOM 1140 O GLY A 130 17.255 26.927 -6.516 1.00 0.00 O ATOM 0 H GLY A 130 17.315 24.486 -6.241 1.00 0.00 H new ATOM 0 HA2 GLY A 130 15.940 24.855 -8.356 1.00 0.00 H new ATOM 0 HA3 GLY A 130 14.666 25.340 -7.255 1.00 0.00 H new ATOM 1144 N SER A 131 15.823 27.595 -8.113 1.00 0.00 N ATOM 1145 CA SER A 131 16.324 28.966 -8.124 1.00 0.00 C ATOM 1146 C SER A 131 15.303 29.926 -7.523 1.00 0.00 C ATOM 1147 O SER A 131 14.511 30.505 -8.295 1.00 0.00 O ATOM 1148 CB SER A 131 16.670 29.399 -9.551 1.00 0.00 C ATOM 1149 OG SER A 131 15.499 29.609 -10.320 1.00 0.00 O ATOM 1150 OXT SER A 131 15.306 30.093 -6.285 1.00 0.00 O ATOM 0 H SER A 131 15.062 27.416 -8.768 1.00 0.00 H new ATOM 0 HA SER A 131 17.227 28.997 -7.515 1.00 0.00 H new ATOM 0 HB2 SER A 131 17.259 30.316 -9.523 1.00 0.00 H new ATOM 0 HB3 SER A 131 17.288 28.637 -10.025 1.00 0.00 H new ATOM 0 HG SER A 131 15.019 30.391 -9.977 1.00 0.00 H new TER 1156 SER A 131 HETATM 1157 ZN ZN A 1 -1.130 -5.451 2.040 1.00 0.00 ZN