USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 531 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 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.029) USER MOD Single : A 9 GLN : amide:sc= -0.48 X(o=-0.48,f=-0.0019) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0.374 K(o=0.37,f=-6.2!) USER MOD Single : A 22 THR OG1 : rot 180:sc=-0.000441 USER MOD Single : A 27 THR OG1 : rot -78:sc= 1.21 USER MOD Single : A 33 GLN : amide:sc= 0.459 K(o=0.46,f=-5.5!) USER MOD Single : A 39 SER OG : rot 59:sc= 1.16 USER MOD Single : A 41 ASN : amide:sc= 0.00681 X(o=0.0068,f=0) USER MOD Single : A 46 HIS : no HD1:sc=-0.00383 X(o=-0.0038,f=-0.32) USER MOD Single : A 48 LYS NZ :NH3+ 179:sc= 0.21 (180deg=0.21) USER MOD Single : A 53 LYS NZ :NH3+ -174:sc= 0.417 (180deg=0.398) USER MOD Single : A 60 SER OG : rot 44:sc= 0.597 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 50 N LEU A 4 -8.955 -1.011 -9.287 1.00 0.00 N ATOM 51 CA LEU A 4 -8.748 -1.418 -7.872 1.00 0.00 C ATOM 52 C LEU A 4 -10.039 -1.271 -6.974 1.00 0.00 C ATOM 53 O LEU A 4 -10.550 -0.171 -6.749 1.00 0.00 O ATOM 54 CB LEU A 4 -7.611 -0.597 -7.206 1.00 0.00 C ATOM 55 CG LEU A 4 -6.223 -0.549 -7.870 1.00 0.00 C ATOM 56 CD1 LEU A 4 -5.297 0.344 -7.020 1.00 0.00 C ATOM 57 CD2 LEU A 4 -5.575 -1.924 -8.018 1.00 0.00 C ATOM 0 HA LEU A 4 -8.484 -2.474 -7.926 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.963 0.430 -7.110 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.477 -0.984 -6.196 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.363 -0.149 -8.874 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.310 0.386 -7.480 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.714 1.349 -6.962 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.212 -0.072 -6.016 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.600 -1.817 -8.493 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.452 -2.376 -7.034 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.210 -2.561 -8.633 1.00 0.00 H new ATOM 69 N THR A 5 -10.520 -2.405 -6.468 1.00 0.00 N ATOM 70 CA THR A 5 -11.757 -2.467 -5.633 1.00 0.00 C ATOM 71 C THR A 5 -11.554 -2.026 -4.153 1.00 0.00 C ATOM 72 O THR A 5 -10.441 -2.025 -3.628 1.00 0.00 O ATOM 73 CB THR A 5 -12.438 -3.855 -5.791 1.00 0.00 C ATOM 74 OG1 THR A 5 -13.731 -3.848 -5.189 1.00 0.00 O ATOM 75 CG2 THR A 5 -11.705 -5.063 -5.231 1.00 0.00 C ATOM 0 H THR A 5 -10.078 -3.313 -6.614 1.00 0.00 H new ATOM 0 HA THR A 5 -12.446 -1.714 -6.016 1.00 0.00 H new ATOM 0 HB THR A 5 -12.455 -3.980 -6.874 1.00 0.00 H new ATOM 0 HG1 THR A 5 -14.148 -4.728 -5.298 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.294 -5.962 -5.411 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.736 -5.160 -5.721 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.558 -4.935 -4.159 1.00 0.00 H new ATOM 83 N ALA A 6 -12.662 -1.656 -3.504 1.00 0.00 N ATOM 84 CA ALA A 6 -12.691 -0.899 -2.226 1.00 0.00 C ATOM 85 C ALA A 6 -11.591 -1.114 -1.138 1.00 0.00 C ATOM 86 O ALA A 6 -10.931 -0.142 -0.771 1.00 0.00 O ATOM 87 CB ALA A 6 -14.114 -1.072 -1.661 1.00 0.00 C ATOM 0 H ALA A 6 -13.595 -1.876 -3.854 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.422 0.122 -2.499 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -14.198 -0.535 -0.716 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.838 -0.673 -2.371 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.314 -2.131 -1.496 1.00 0.00 H new ATOM 93 N ARG A 7 -11.363 -2.347 -0.655 1.00 0.00 N ATOM 94 CA ARG A 7 -10.323 -2.603 0.393 1.00 0.00 C ATOM 95 C ARG A 7 -8.835 -2.641 -0.101 1.00 0.00 C ATOM 96 O ARG A 7 -7.960 -2.126 0.600 1.00 0.00 O ATOM 97 CB ARG A 7 -10.742 -3.844 1.211 1.00 0.00 C ATOM 98 CG ARG A 7 -10.062 -3.994 2.590 1.00 0.00 C ATOM 99 CD ARG A 7 -10.459 -2.911 3.605 1.00 0.00 C ATOM 100 NE ARG A 7 -9.853 -3.238 4.914 1.00 0.00 N ATOM 101 CZ ARG A 7 -9.817 -2.432 5.966 1.00 0.00 C ATOM 102 NH1 ARG A 7 -10.330 -1.238 6.005 1.00 0.00 N ATOM 103 NH2 ARG A 7 -9.227 -2.859 7.027 1.00 0.00 N ATOM 0 H ARG A 7 -11.868 -3.179 -0.958 1.00 0.00 H new ATOM 0 HA ARG A 7 -10.301 -1.726 1.040 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -11.821 -3.812 1.360 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -10.528 -4.735 0.621 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -10.311 -4.972 3.002 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.981 -3.971 2.455 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -10.118 -1.933 3.265 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -11.544 -2.857 3.694 1.00 0.00 H new ATOM 0 HE ARG A 7 -9.428 -4.160 5.016 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -10.803 -0.859 5.185 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -10.259 -0.680 6.856 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -8.808 -3.789 7.038 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.179 -2.268 7.857 1.00 0.00 H new ATOM 116 N GLN A 8 -8.541 -3.182 -1.297 1.00 0.00 N ATOM 117 CA GLN A 8 -7.230 -2.934 -1.974 1.00 0.00 C ATOM 118 C GLN A 8 -6.971 -1.462 -2.459 1.00 0.00 C ATOM 119 O GLN A 8 -5.838 -0.990 -2.365 1.00 0.00 O ATOM 120 CB GLN A 8 -6.982 -4.013 -3.053 1.00 0.00 C ATOM 121 CG GLN A 8 -7.832 -3.931 -4.329 1.00 0.00 C ATOM 122 CD GLN A 8 -7.612 -5.074 -5.302 1.00 0.00 C ATOM 123 OE1 GLN A 8 -8.285 -6.096 -5.257 1.00 0.00 O ATOM 124 NE2 GLN A 8 -6.709 -4.941 -6.238 1.00 0.00 N ATOM 0 H GLN A 8 -9.175 -3.787 -1.818 1.00 0.00 H new ATOM 0 HA GLN A 8 -6.465 -3.035 -1.204 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.932 -3.968 -3.342 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.146 -4.990 -2.599 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -8.885 -3.906 -4.049 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -7.615 -2.991 -4.836 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.143 -4.094 -6.284 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.570 -5.685 -6.922 1.00 0.00 H new ATOM 133 N GLN A 9 -8.007 -0.731 -2.904 1.00 0.00 N ATOM 134 CA GLN A 9 -7.967 0.750 -3.043 1.00 0.00 C ATOM 135 C GLN A 9 -7.656 1.542 -1.720 1.00 0.00 C ATOM 136 O GLN A 9 -6.828 2.447 -1.763 1.00 0.00 O ATOM 137 CB GLN A 9 -9.291 1.223 -3.695 1.00 0.00 C ATOM 138 CG GLN A 9 -9.188 2.413 -4.673 1.00 0.00 C ATOM 139 CD GLN A 9 -8.583 3.705 -4.164 1.00 0.00 C ATOM 140 OE1 GLN A 9 -9.150 4.429 -3.355 1.00 0.00 O ATOM 141 NE2 GLN A 9 -7.401 4.044 -4.611 1.00 0.00 N ATOM 0 H GLN A 9 -8.899 -1.142 -3.179 1.00 0.00 H new ATOM 0 HA GLN A 9 -7.116 0.982 -3.683 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.730 0.380 -4.228 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.986 1.493 -2.900 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.604 2.088 -5.534 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -10.192 2.635 -5.035 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -6.920 3.448 -5.285 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -6.960 4.904 -4.286 1.00 0.00 H new ATOM 150 N GLU A 10 -8.241 1.181 -0.564 1.00 0.00 N ATOM 151 CA GLU A 10 -7.797 1.693 0.767 1.00 0.00 C ATOM 152 C GLU A 10 -6.282 1.444 1.128 1.00 0.00 C ATOM 153 O GLU A 10 -5.618 2.374 1.588 1.00 0.00 O ATOM 154 CB GLU A 10 -8.710 1.099 1.872 1.00 0.00 C ATOM 155 CG GLU A 10 -10.126 1.704 1.931 1.00 0.00 C ATOM 156 CD GLU A 10 -11.034 0.981 2.913 1.00 0.00 C ATOM 157 OE1 GLU A 10 -11.799 0.078 2.591 1.00 0.00 O ATOM 158 OE2 GLU A 10 -10.885 1.443 4.187 1.00 0.00 O ATOM 0 H GLU A 10 -9.028 0.534 -0.514 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.889 2.777 0.706 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.795 0.024 1.715 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.228 1.243 2.839 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.056 2.754 2.213 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.573 1.670 0.937 1.00 0.00 H new ATOM 166 N VAL A 11 -5.743 0.240 0.883 1.00 0.00 N ATOM 167 CA VAL A 11 -4.261 -0.016 0.923 1.00 0.00 C ATOM 168 C VAL A 11 -3.431 0.850 -0.099 1.00 0.00 C ATOM 169 O VAL A 11 -2.381 1.371 0.288 1.00 0.00 O ATOM 170 CB VAL A 11 -3.996 -1.557 0.824 1.00 0.00 C ATOM 171 CG1 VAL A 11 -2.504 -1.948 0.733 1.00 0.00 C ATOM 172 CG2 VAL A 11 -4.551 -2.311 2.061 1.00 0.00 C ATOM 0 H VAL A 11 -6.297 -0.585 0.653 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.884 0.328 1.886 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.502 -1.839 -0.100 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.415 -3.032 0.668 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.062 -1.494 -0.154 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.980 -1.594 1.621 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.349 -3.377 1.958 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.068 -1.936 2.963 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.627 -2.151 2.132 1.00 0.00 H new ATOM 182 N PHE A 12 -3.901 1.044 -1.344 1.00 0.00 N ATOM 183 CA PHE A 12 -3.313 2.045 -2.275 1.00 0.00 C ATOM 184 C PHE A 12 -3.396 3.544 -1.817 1.00 0.00 C ATOM 185 O PHE A 12 -2.393 4.254 -1.905 1.00 0.00 O ATOM 186 CB PHE A 12 -3.894 1.822 -3.698 1.00 0.00 C ATOM 187 CG PHE A 12 -3.117 2.594 -4.776 1.00 0.00 C ATOM 188 CD1 PHE A 12 -1.768 2.297 -5.032 1.00 0.00 C ATOM 189 CD2 PHE A 12 -3.694 3.702 -5.410 1.00 0.00 C ATOM 190 CE1 PHE A 12 -1.005 3.126 -5.848 1.00 0.00 C ATOM 191 CE2 PHE A 12 -2.938 4.508 -6.259 1.00 0.00 C ATOM 192 CZ PHE A 12 -1.591 4.231 -6.461 1.00 0.00 C ATOM 0 H PHE A 12 -4.686 0.524 -1.736 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.238 1.864 -2.277 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.875 0.758 -3.932 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.938 2.133 -3.714 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.320 1.418 -4.592 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.735 3.934 -5.239 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.042 2.913 -6.006 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.398 5.347 -6.760 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.998 4.874 -7.094 1.00 0.00 H new ATOM 202 N ASP A 13 -4.535 4.005 -1.288 1.00 0.00 N ATOM 203 CA ASP A 13 -4.619 5.306 -0.578 1.00 0.00 C ATOM 204 C ASP A 13 -3.600 5.490 0.605 1.00 0.00 C ATOM 205 O ASP A 13 -3.019 6.563 0.690 1.00 0.00 O ATOM 206 CB ASP A 13 -6.091 5.499 -0.137 1.00 0.00 C ATOM 207 CG ASP A 13 -6.409 6.901 0.348 1.00 0.00 C ATOM 208 OD1 ASP A 13 -6.643 7.181 1.520 1.00 0.00 O ATOM 209 OD2 ASP A 13 -6.369 7.818 -0.655 1.00 0.00 O ATOM 0 H ASP A 13 -5.420 3.501 -1.334 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.315 6.092 -1.270 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.745 5.258 -0.975 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.317 4.790 0.659 1.00 0.00 H new ATOM 215 N LEU A 14 -3.348 4.486 1.453 1.00 0.00 N ATOM 216 CA LEU A 14 -2.323 4.570 2.541 1.00 0.00 C ATOM 217 C LEU A 14 -0.836 4.846 2.095 1.00 0.00 C ATOM 218 O LEU A 14 -0.163 5.677 2.711 1.00 0.00 O ATOM 219 CB LEU A 14 -2.456 3.280 3.394 1.00 0.00 C ATOM 220 CG LEU A 14 -2.439 3.416 4.929 1.00 0.00 C ATOM 221 CD1 LEU A 14 -1.108 3.896 5.498 1.00 0.00 C ATOM 222 CD2 LEU A 14 -3.592 4.281 5.446 1.00 0.00 C ATOM 0 H LEU A 14 -3.836 3.591 1.419 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.541 5.467 3.121 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.389 2.790 3.114 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.646 2.608 3.110 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.579 2.399 5.296 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.180 3.965 6.583 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.322 3.190 5.231 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.869 4.877 5.087 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.538 4.348 6.533 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.518 5.280 5.017 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.542 3.832 5.157 1.00 0.00 H new ATOM 234 N ILE A 15 -0.349 4.202 1.017 1.00 0.00 N ATOM 235 CA ILE A 15 0.897 4.644 0.297 1.00 0.00 C ATOM 236 C ILE A 15 0.864 6.101 -0.279 1.00 0.00 C ATOM 237 O ILE A 15 1.818 6.848 -0.041 1.00 0.00 O ATOM 238 CB ILE A 15 1.426 3.537 -0.678 1.00 0.00 C ATOM 239 CG1 ILE A 15 2.684 3.917 -1.506 1.00 0.00 C ATOM 240 CG2 ILE A 15 0.393 3.007 -1.694 1.00 0.00 C ATOM 241 CD1 ILE A 15 3.927 4.254 -0.699 1.00 0.00 C ATOM 0 H ILE A 15 -0.787 3.374 0.614 1.00 0.00 H new ATOM 0 HA ILE A 15 1.664 4.749 1.064 1.00 0.00 H new ATOM 0 HB ILE A 15 1.677 2.763 0.047 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.920 3.089 -2.174 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.438 4.773 -2.134 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.857 2.246 -2.321 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.452 2.572 -1.160 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.043 3.828 -2.319 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.744 4.504 -1.376 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.720 5.105 -0.050 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.210 3.395 -0.091 1.00 0.00 H new ATOM 253 N ARG A 16 -0.206 6.527 -0.967 1.00 0.00 N ATOM 254 CA ARG A 16 -0.402 7.964 -1.325 1.00 0.00 C ATOM 255 C ARG A 16 -0.471 8.973 -0.101 1.00 0.00 C ATOM 256 O ARG A 16 0.153 10.032 -0.153 1.00 0.00 O ATOM 257 CB ARG A 16 -1.667 8.151 -2.202 1.00 0.00 C ATOM 258 CG ARG A 16 -1.672 7.390 -3.542 1.00 0.00 C ATOM 259 CD ARG A 16 -2.847 7.755 -4.465 1.00 0.00 C ATOM 260 NE ARG A 16 -4.156 7.398 -3.866 1.00 0.00 N ATOM 261 CZ ARG A 16 -5.306 7.319 -4.508 1.00 0.00 C ATOM 262 NH1 ARG A 16 -5.449 7.466 -5.793 1.00 0.00 N ATOM 263 NH2 ARG A 16 -6.359 7.090 -3.801 1.00 0.00 N ATOM 0 H ARG A 16 -0.952 5.911 -1.291 1.00 0.00 H new ATOM 0 HA ARG A 16 0.502 8.220 -1.878 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.536 7.837 -1.624 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.789 9.214 -2.409 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.737 7.590 -4.065 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.701 6.319 -3.340 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.824 8.824 -4.675 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.732 7.240 -5.419 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.168 7.195 -2.866 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.636 7.657 -6.378 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.374 7.390 -6.215 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.280 6.978 -2.790 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.271 7.020 -4.252 1.00 0.00 H new ATOM 276 N ASP A 17 -1.200 8.618 0.963 1.00 0.00 N ATOM 277 CA ASP A 17 -1.381 9.439 2.184 1.00 0.00 C ATOM 278 C ASP A 17 -0.074 9.776 2.973 1.00 0.00 C ATOM 279 O ASP A 17 0.148 10.954 3.241 1.00 0.00 O ATOM 280 CB ASP A 17 -2.393 8.719 3.114 1.00 0.00 C ATOM 281 CG ASP A 17 -3.842 8.696 2.664 1.00 0.00 C ATOM 282 OD1 ASP A 17 -4.362 9.527 1.924 1.00 0.00 O ATOM 283 OD2 ASP A 17 -4.510 7.627 3.174 1.00 0.00 O ATOM 0 H ASP A 17 -1.697 7.729 1.008 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.750 10.407 1.846 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.061 7.689 3.243 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.350 9.193 4.094 1.00 0.00 H new ATOM 289 N HIS A 18 0.788 8.803 3.319 1.00 0.00 N ATOM 290 CA HIS A 18 2.102 9.105 3.974 1.00 0.00 C ATOM 291 C HIS A 18 3.117 9.947 3.109 1.00 0.00 C ATOM 292 O HIS A 18 3.783 10.834 3.648 1.00 0.00 O ATOM 293 CB HIS A 18 2.718 7.780 4.472 1.00 0.00 C ATOM 294 CG HIS A 18 3.578 7.919 5.744 1.00 0.00 C ATOM 295 ND1 HIS A 18 3.204 7.343 6.954 1.00 0.00 N ATOM 296 CD2 HIS A 18 4.814 8.591 5.888 1.00 0.00 C ATOM 297 CE1 HIS A 18 4.267 7.731 7.728 1.00 0.00 C ATOM 298 NE2 HIS A 18 5.268 8.479 7.182 1.00 0.00 N ATOM 0 H HIS A 18 0.615 7.810 3.164 1.00 0.00 H new ATOM 0 HA HIS A 18 1.892 9.770 4.812 1.00 0.00 H new ATOM 0 HB2 HIS A 18 1.914 7.070 4.667 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.332 7.357 3.677 1.00 0.00 H new ATOM 0 HD2 HIS A 18 5.328 9.116 5.096 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.312 7.445 8.768 1.00 0.00 H new ATOM 0 HE2 HIS A 18 6.115 8.851 7.612 1.00 0.00 H new ATOM 306 N ILE A 19 3.191 9.712 1.792 1.00 0.00 N ATOM 307 CA ILE A 19 3.942 10.595 0.842 1.00 0.00 C ATOM 308 C ILE A 19 3.333 12.049 0.744 1.00 0.00 C ATOM 309 O ILE A 19 4.083 13.019 0.851 1.00 0.00 O ATOM 310 CB ILE A 19 4.100 9.863 -0.551 1.00 0.00 C ATOM 311 CG1 ILE A 19 4.973 8.578 -0.391 1.00 0.00 C ATOM 312 CG2 ILE A 19 4.758 10.771 -1.622 1.00 0.00 C ATOM 313 CD1 ILE A 19 5.021 7.646 -1.599 1.00 0.00 C ATOM 0 H ILE A 19 2.741 8.915 1.342 1.00 0.00 H new ATOM 0 HA ILE A 19 4.945 10.762 1.236 1.00 0.00 H new ATOM 0 HB ILE A 19 3.094 9.606 -0.884 1.00 0.00 H new ATOM 0 HG12 ILE A 19 5.992 8.883 -0.152 1.00 0.00 H new ATOM 0 HG13 ILE A 19 4.600 8.014 0.464 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.844 10.223 -2.560 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.143 11.658 -1.775 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.750 11.071 -1.285 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.656 6.789 -1.373 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.014 7.300 -1.832 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.427 8.182 -2.456 1.00 0.00 H new ATOM 325 N SER A 20 2.011 12.202 0.577 1.00 0.00 N ATOM 326 CA SER A 20 1.336 13.529 0.630 1.00 0.00 C ATOM 327 C SER A 20 1.346 14.300 2.003 1.00 0.00 C ATOM 328 O SER A 20 1.430 15.529 1.996 1.00 0.00 O ATOM 329 CB SER A 20 -0.124 13.328 0.149 1.00 0.00 C ATOM 330 OG SER A 20 -0.776 14.582 -0.062 1.00 0.00 O ATOM 0 H SER A 20 1.375 11.424 0.402 1.00 0.00 H new ATOM 0 HA SER A 20 1.927 14.179 -0.015 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.129 12.752 -0.777 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.676 12.748 0.888 1.00 0.00 H new ATOM 0 HG SER A 20 -1.694 14.426 -0.366 1.00 0.00 H new ATOM 336 N GLN A 21 1.217 13.606 3.137 1.00 0.00 N ATOM 337 CA GLN A 21 1.300 14.215 4.493 1.00 0.00 C ATOM 338 C GLN A 21 2.750 14.415 5.097 1.00 0.00 C ATOM 339 O GLN A 21 2.880 15.067 6.135 1.00 0.00 O ATOM 340 CB GLN A 21 0.493 13.302 5.472 1.00 0.00 C ATOM 341 CG GLN A 21 -1.035 13.279 5.241 1.00 0.00 C ATOM 342 CD GLN A 21 -1.755 12.231 6.075 1.00 0.00 C ATOM 343 OE1 GLN A 21 -1.956 11.094 5.666 1.00 0.00 O ATOM 344 NE2 GLN A 21 -2.179 12.558 7.268 1.00 0.00 N ATOM 0 H GLN A 21 1.051 12.600 3.154 1.00 0.00 H new ATOM 0 HA GLN A 21 0.900 15.223 4.380 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.872 12.283 5.389 1.00 0.00 H new ATOM 0 HB3 GLN A 21 0.685 13.632 6.493 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -1.445 14.262 5.473 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.233 13.092 4.186 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.021 13.500 7.625 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -2.668 11.871 7.842 1.00 0.00 H new ATOM 353 N THR A 22 3.798 13.818 4.520 1.00 0.00 N ATOM 354 CA THR A 22 5.192 13.873 5.060 1.00 0.00 C ATOM 355 C THR A 22 6.255 13.803 3.913 1.00 0.00 C ATOM 356 O THR A 22 7.107 14.690 3.836 1.00 0.00 O ATOM 357 CB THR A 22 5.383 12.787 6.163 1.00 0.00 C ATOM 358 OG1 THR A 22 4.500 13.046 7.252 1.00 0.00 O ATOM 359 CG2 THR A 22 6.769 12.729 6.792 1.00 0.00 C ATOM 0 H THR A 22 3.720 13.276 3.660 1.00 0.00 H new ATOM 0 HA THR A 22 5.354 14.838 5.540 1.00 0.00 H new ATOM 0 HB THR A 22 5.195 11.850 5.639 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.622 12.361 7.942 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.794 11.941 7.545 1.00 0.00 H new ATOM 0 HG22 THR A 22 7.510 12.518 6.021 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.996 13.686 7.261 1.00 0.00 H new ATOM 367 N GLY A 23 6.238 12.758 3.073 1.00 0.00 N ATOM 368 CA GLY A 23 7.231 12.587 1.976 1.00 0.00 C ATOM 369 C GLY A 23 7.700 11.142 1.700 1.00 0.00 C ATOM 370 O GLY A 23 7.815 10.732 0.545 1.00 0.00 O ATOM 0 H GLY A 23 5.548 12.009 3.124 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.801 12.989 1.059 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.107 13.193 2.209 1.00 0.00 H new ATOM 374 N MET A 24 7.998 10.404 2.767 1.00 0.00 N ATOM 375 CA MET A 24 8.399 8.976 2.705 1.00 0.00 C ATOM 376 C MET A 24 7.215 7.951 2.591 1.00 0.00 C ATOM 377 O MET A 24 6.082 8.308 2.931 1.00 0.00 O ATOM 378 CB MET A 24 9.301 8.730 3.951 1.00 0.00 C ATOM 379 CG MET A 24 8.616 8.758 5.328 1.00 0.00 C ATOM 380 SD MET A 24 9.873 8.577 6.603 1.00 0.00 S ATOM 381 CE MET A 24 8.810 8.618 8.055 1.00 0.00 C ATOM 0 H MET A 24 7.971 10.774 3.717 1.00 0.00 H new ATOM 0 HA MET A 24 8.937 8.793 1.775 1.00 0.00 H new ATOM 0 HB2 MET A 24 9.784 7.760 3.833 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.091 9.481 3.951 1.00 0.00 H new ATOM 0 HG2 MET A 24 8.075 9.695 5.462 1.00 0.00 H new ATOM 0 HG3 MET A 24 7.884 7.954 5.402 1.00 0.00 H new ATOM 0 HE1 MET A 24 9.418 8.518 8.954 1.00 0.00 H new ATOM 0 HE2 MET A 24 8.271 9.565 8.085 1.00 0.00 H new ATOM 0 HE3 MET A 24 8.096 7.796 8.007 1.00 0.00 H new ATOM 391 N PRO A 25 7.401 6.672 2.161 1.00 0.00 N ATOM 392 CA PRO A 25 6.317 5.639 2.268 1.00 0.00 C ATOM 393 C PRO A 25 5.984 5.165 3.722 1.00 0.00 C ATOM 394 O PRO A 25 6.829 5.315 4.612 1.00 0.00 O ATOM 395 CB PRO A 25 6.895 4.508 1.380 1.00 0.00 C ATOM 396 CG PRO A 25 8.426 4.627 1.537 1.00 0.00 C ATOM 397 CD PRO A 25 8.658 6.148 1.584 1.00 0.00 C ATOM 0 HA PRO A 25 5.345 6.019 1.954 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.539 3.530 1.704 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.593 4.629 0.340 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.777 4.138 2.446 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.953 4.165 0.703 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.520 6.404 2.201 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.844 6.556 0.591 1.00 0.00 H new ATOM 405 N PRO A 26 4.798 4.573 4.023 1.00 0.00 N ATOM 406 CA PRO A 26 4.484 4.083 5.401 1.00 0.00 C ATOM 407 C PRO A 26 5.174 2.747 5.785 1.00 0.00 C ATOM 408 O PRO A 26 5.546 1.927 4.939 1.00 0.00 O ATOM 409 CB PRO A 26 2.934 3.945 5.324 1.00 0.00 C ATOM 410 CG PRO A 26 2.655 3.555 3.856 1.00 0.00 C ATOM 411 CD PRO A 26 3.705 4.343 3.056 1.00 0.00 C ATOM 0 HA PRO A 26 4.850 4.752 6.179 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.568 3.184 6.014 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.438 4.879 5.588 1.00 0.00 H new ATOM 0 HG2 PRO A 26 2.759 2.481 3.702 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.642 3.823 3.557 1.00 0.00 H new ATOM 0 HD2 PRO A 26 4.051 3.779 2.190 1.00 0.00 H new ATOM 0 HD3 PRO A 26 3.299 5.283 2.683 1.00 0.00 H new ATOM 419 N THR A 27 5.278 2.500 7.096 1.00 0.00 N ATOM 420 CA THR A 27 5.616 1.144 7.613 1.00 0.00 C ATOM 421 C THR A 27 4.424 0.137 7.416 1.00 0.00 C ATOM 422 O THR A 27 3.251 0.505 7.523 1.00 0.00 O ATOM 423 CB THR A 27 6.025 1.151 9.123 1.00 0.00 C ATOM 424 OG1 THR A 27 4.992 1.657 9.958 1.00 0.00 O ATOM 425 CG2 THR A 27 7.283 1.943 9.449 1.00 0.00 C ATOM 0 H THR A 27 5.137 3.204 7.821 1.00 0.00 H new ATOM 0 HA THR A 27 6.475 0.818 7.027 1.00 0.00 H new ATOM 0 HB THR A 27 6.220 0.097 9.321 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.981 2.636 9.908 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.482 1.886 10.519 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.128 1.526 8.901 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.142 2.985 9.161 1.00 0.00 H new ATOM 433 N ARG A 28 4.728 -1.145 7.198 1.00 0.00 N ATOM 434 CA ARG A 28 3.672 -2.209 7.092 1.00 0.00 C ATOM 435 C ARG A 28 2.788 -2.442 8.379 1.00 0.00 C ATOM 436 O ARG A 28 1.607 -2.770 8.247 1.00 0.00 O ATOM 437 CB ARG A 28 4.330 -3.517 6.576 1.00 0.00 C ATOM 438 CG ARG A 28 4.832 -3.395 5.119 1.00 0.00 C ATOM 439 CD ARG A 28 5.780 -4.520 4.685 1.00 0.00 C ATOM 440 NE ARG A 28 6.444 -4.044 3.447 1.00 0.00 N ATOM 441 CZ ARG A 28 7.583 -4.487 2.952 1.00 0.00 C ATOM 442 NH1 ARG A 28 8.259 -5.491 3.427 1.00 0.00 N ATOM 443 NH2 ARG A 28 8.067 -3.869 1.934 1.00 0.00 N ATOM 0 H ARG A 28 5.682 -1.490 7.089 1.00 0.00 H new ATOM 0 HA ARG A 28 2.937 -1.843 6.375 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.167 -3.779 7.224 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.609 -4.332 6.641 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.972 -3.382 4.450 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.342 -2.439 5.001 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.513 -4.734 5.463 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.231 -5.444 4.502 1.00 0.00 H new ATOM 0 HE ARG A 28 5.974 -3.302 2.928 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.914 -5.998 4.242 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.134 -5.772 2.985 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.572 -3.069 1.540 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.946 -4.179 1.520 1.00 0.00 H new ATOM 456 N ALA A 29 3.323 -2.181 9.584 1.00 0.00 N ATOM 457 CA ALA A 29 2.501 -1.951 10.799 1.00 0.00 C ATOM 458 C ALA A 29 1.539 -0.707 10.790 1.00 0.00 C ATOM 459 O ALA A 29 0.416 -0.834 11.276 1.00 0.00 O ATOM 460 CB ALA A 29 3.485 -1.885 11.978 1.00 0.00 C ATOM 0 H ALA A 29 4.328 -2.122 9.750 1.00 0.00 H new ATOM 0 HA ALA A 29 1.793 -2.777 10.868 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.934 -1.716 12.903 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.033 -2.825 12.048 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.188 -1.067 11.820 1.00 0.00 H new ATOM 466 N GLU A 30 1.937 0.454 10.238 1.00 0.00 N ATOM 467 CA GLU A 30 0.986 1.567 9.934 1.00 0.00 C ATOM 468 C GLU A 30 -0.115 1.243 8.857 1.00 0.00 C ATOM 469 O GLU A 30 -1.262 1.631 9.072 1.00 0.00 O ATOM 470 CB GLU A 30 1.767 2.840 9.509 1.00 0.00 C ATOM 471 CG GLU A 30 2.506 3.551 10.661 1.00 0.00 C ATOM 472 CD GLU A 30 3.472 4.612 10.156 1.00 0.00 C ATOM 473 OE1 GLU A 30 4.574 4.343 9.684 1.00 0.00 O ATOM 474 OE2 GLU A 30 2.972 5.874 10.283 1.00 0.00 O ATOM 0 H GLU A 30 2.905 0.656 9.990 1.00 0.00 H new ATOM 0 HA GLU A 30 0.444 1.728 10.866 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.492 2.567 8.743 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.070 3.543 9.052 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.777 4.013 11.327 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.053 2.814 11.249 1.00 0.00 H new ATOM 482 N ILE A 31 0.199 0.524 7.765 1.00 0.00 N ATOM 483 CA ILE A 31 -0.841 -0.038 6.835 1.00 0.00 C ATOM 484 C ILE A 31 -1.888 -0.973 7.569 1.00 0.00 C ATOM 485 O ILE A 31 -3.092 -0.802 7.364 1.00 0.00 O ATOM 486 CB ILE A 31 -0.200 -0.738 5.575 1.00 0.00 C ATOM 487 CG1 ILE A 31 0.783 0.195 4.802 1.00 0.00 C ATOM 488 CG2 ILE A 31 -1.294 -1.206 4.572 1.00 0.00 C ATOM 489 CD1 ILE A 31 1.634 -0.514 3.746 1.00 0.00 C ATOM 0 H ILE A 31 1.158 0.310 7.491 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.407 0.818 6.468 1.00 0.00 H new ATOM 0 HB ILE A 31 0.352 -1.592 5.968 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.209 0.985 4.317 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.446 0.678 5.520 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.821 -1.684 3.715 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.958 -1.917 5.064 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.871 -0.345 4.234 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.287 0.210 3.259 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.239 -1.285 4.224 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.983 -0.973 3.002 1.00 0.00 H new ATOM 501 N ALA A 32 -1.436 -1.901 8.429 1.00 0.00 N ATOM 502 CA ALA A 32 -2.332 -2.676 9.319 1.00 0.00 C ATOM 503 C ALA A 32 -3.146 -1.868 10.385 1.00 0.00 C ATOM 504 O ALA A 32 -4.370 -1.995 10.427 1.00 0.00 O ATOM 505 CB ALA A 32 -1.483 -3.794 9.945 1.00 0.00 C ATOM 0 H ALA A 32 -0.449 -2.137 8.531 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.139 -3.071 8.702 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.104 -4.393 10.611 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.079 -4.429 9.157 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -0.663 -3.354 10.512 1.00 0.00 H new ATOM 511 N GLN A 33 -2.493 -1.055 11.227 1.00 0.00 N ATOM 512 CA GLN A 33 -3.167 -0.349 12.350 1.00 0.00 C ATOM 513 C GLN A 33 -4.022 0.914 11.975 1.00 0.00 C ATOM 514 O GLN A 33 -5.076 1.103 12.583 1.00 0.00 O ATOM 515 CB GLN A 33 -2.127 0.022 13.443 1.00 0.00 C ATOM 516 CG GLN A 33 -1.418 -1.151 14.155 1.00 0.00 C ATOM 517 CD GLN A 33 -2.301 -2.148 14.881 1.00 0.00 C ATOM 518 OE1 GLN A 33 -2.617 -3.218 14.377 1.00 0.00 O ATOM 519 NE2 GLN A 33 -2.730 -1.860 16.083 1.00 0.00 N ATOM 0 H GLN A 33 -1.494 -0.863 11.159 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.899 -1.069 12.717 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.365 0.653 12.986 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.629 0.625 14.199 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.832 -1.694 13.413 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.713 -0.735 14.875 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.475 -0.972 16.516 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.319 -2.523 16.587 1.00 0.00 H new ATOM 528 N ARG A 34 -3.594 1.758 11.022 1.00 0.00 N ATOM 529 CA ARG A 34 -4.419 2.912 10.538 1.00 0.00 C ATOM 530 C ARG A 34 -5.731 2.528 9.769 1.00 0.00 C ATOM 531 O ARG A 34 -6.765 3.152 10.007 1.00 0.00 O ATOM 532 CB ARG A 34 -3.466 3.827 9.729 1.00 0.00 C ATOM 533 CG ARG A 34 -4.053 5.188 9.312 1.00 0.00 C ATOM 534 CD ARG A 34 -2.993 6.080 8.644 1.00 0.00 C ATOM 535 NE ARG A 34 -3.675 7.257 8.063 1.00 0.00 N ATOM 536 CZ ARG A 34 -3.112 8.178 7.300 1.00 0.00 C ATOM 537 NH1 ARG A 34 -1.856 8.195 6.957 1.00 0.00 N ATOM 538 NH2 ARG A 34 -3.865 9.129 6.869 1.00 0.00 N ATOM 0 H ARG A 34 -2.687 1.676 10.564 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.829 3.441 11.398 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.569 4.004 10.322 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.154 3.294 8.831 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.884 5.031 8.624 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.456 5.695 10.189 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.247 6.395 9.374 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.465 5.526 7.868 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.668 7.368 8.269 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.229 7.459 7.282 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.500 8.944 6.363 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.854 9.150 7.119 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.473 9.861 6.277 1.00 0.00 H new ATOM 551 N LEU A 35 -5.697 1.523 8.883 1.00 0.00 N ATOM 552 CA LEU A 35 -6.922 0.997 8.216 1.00 0.00 C ATOM 553 C LEU A 35 -7.803 -0.027 9.034 1.00 0.00 C ATOM 554 O LEU A 35 -8.975 -0.205 8.692 1.00 0.00 O ATOM 555 CB LEU A 35 -6.504 0.355 6.864 1.00 0.00 C ATOM 556 CG LEU A 35 -5.952 1.329 5.797 1.00 0.00 C ATOM 557 CD1 LEU A 35 -5.394 0.528 4.616 1.00 0.00 C ATOM 558 CD2 LEU A 35 -7.018 2.308 5.296 1.00 0.00 C ATOM 0 H LEU A 35 -4.838 1.049 8.603 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.573 1.863 8.099 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.747 -0.403 7.063 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.369 -0.160 6.446 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.163 1.917 6.265 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.005 1.213 3.863 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.592 -0.123 4.964 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.188 -0.077 4.179 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.581 2.970 4.549 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.842 1.751 4.850 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.390 2.900 6.132 1.00 0.00 H new ATOM 570 N GLY A 36 -7.261 -0.688 10.065 1.00 0.00 N ATOM 571 CA GLY A 36 -8.019 -1.643 10.909 1.00 0.00 C ATOM 572 C GLY A 36 -7.967 -3.131 10.517 1.00 0.00 C ATOM 573 O GLY A 36 -9.004 -3.795 10.504 1.00 0.00 O ATOM 0 H GLY A 36 -6.286 -0.581 10.344 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.654 -1.551 11.932 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.064 -1.332 10.914 1.00 0.00 H new ATOM 577 N PHE A 37 -6.769 -3.668 10.271 1.00 0.00 N ATOM 578 CA PHE A 37 -6.577 -5.096 9.934 1.00 0.00 C ATOM 579 C PHE A 37 -6.098 -5.881 11.199 1.00 0.00 C ATOM 580 O PHE A 37 -4.906 -5.887 11.526 1.00 0.00 O ATOM 581 CB PHE A 37 -5.516 -5.238 8.809 1.00 0.00 C ATOM 582 CG PHE A 37 -5.935 -4.774 7.414 1.00 0.00 C ATOM 583 CD1 PHE A 37 -6.699 -5.613 6.593 1.00 0.00 C ATOM 584 CD2 PHE A 37 -5.496 -3.544 6.899 1.00 0.00 C ATOM 585 CE1 PHE A 37 -6.988 -5.252 5.278 1.00 0.00 C ATOM 586 CE2 PHE A 37 -5.780 -3.186 5.581 1.00 0.00 C ATOM 587 CZ PHE A 37 -6.520 -4.041 4.771 1.00 0.00 C ATOM 0 H PHE A 37 -5.901 -3.133 10.298 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.526 -5.506 9.589 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -4.629 -4.676 9.103 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.223 -6.286 8.746 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -7.068 -6.550 6.983 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.934 -2.870 7.528 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -7.574 -5.910 4.653 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.425 -2.244 5.189 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.732 -3.766 3.748 1.00 0.00 H new ATOM 597 N ARG A 38 -7.014 -6.591 11.876 1.00 0.00 N ATOM 598 CA ARG A 38 -6.635 -7.469 13.031 1.00 0.00 C ATOM 599 C ARG A 38 -6.178 -8.905 12.583 1.00 0.00 C ATOM 600 O ARG A 38 -6.790 -9.926 12.908 1.00 0.00 O ATOM 601 CB ARG A 38 -7.810 -7.436 14.032 1.00 0.00 C ATOM 602 CG ARG A 38 -7.481 -7.901 15.465 1.00 0.00 C ATOM 603 CD ARG A 38 -6.831 -6.849 16.378 1.00 0.00 C ATOM 604 NE ARG A 38 -5.362 -6.763 16.210 1.00 0.00 N ATOM 605 CZ ARG A 38 -4.691 -5.767 15.652 1.00 0.00 C ATOM 606 NH1 ARG A 38 -5.231 -4.707 15.127 1.00 0.00 N ATOM 607 NH2 ARG A 38 -3.409 -5.869 15.604 1.00 0.00 N ATOM 0 H ARG A 38 -8.011 -6.586 11.660 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.744 -7.091 13.532 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.194 -6.417 14.080 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.613 -8.061 13.642 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.402 -8.244 15.936 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -6.815 -8.762 15.403 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.272 -5.874 16.171 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.059 -7.088 17.417 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.813 -7.549 16.559 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.245 -4.599 15.126 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -4.640 -3.984 14.716 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.948 -6.694 15.987 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.854 -5.124 15.183 1.00 0.00 H new ATOM 620 N SER A 39 -5.086 -8.942 11.807 1.00 0.00 N ATOM 621 CA SER A 39 -4.513 -10.161 11.190 1.00 0.00 C ATOM 622 C SER A 39 -3.206 -9.741 10.413 1.00 0.00 C ATOM 623 O SER A 39 -3.330 -8.948 9.471 1.00 0.00 O ATOM 624 CB SER A 39 -5.482 -10.864 10.201 1.00 0.00 C ATOM 625 OG SER A 39 -6.504 -11.577 10.896 1.00 0.00 O ATOM 0 H SER A 39 -4.555 -8.101 11.580 1.00 0.00 H new ATOM 0 HA SER A 39 -4.309 -10.874 11.989 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.936 -10.122 9.544 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.922 -11.552 9.567 1.00 0.00 H new ATOM 0 HG SER A 39 -7.009 -10.956 11.462 1.00 0.00 H new ATOM 631 N PRO A 40 -1.971 -10.231 10.713 1.00 0.00 N ATOM 632 CA PRO A 40 -0.724 -9.746 10.013 1.00 0.00 C ATOM 633 C PRO A 40 -0.559 -10.041 8.494 1.00 0.00 C ATOM 634 O PRO A 40 0.101 -9.264 7.802 1.00 0.00 O ATOM 635 CB PRO A 40 0.402 -10.340 10.896 1.00 0.00 C ATOM 636 CG PRO A 40 -0.225 -11.590 11.550 1.00 0.00 C ATOM 637 CD PRO A 40 -1.685 -11.179 11.809 1.00 0.00 C ATOM 0 HA PRO A 40 -0.733 -8.658 9.943 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.276 -10.602 10.299 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.733 -9.624 11.648 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.165 -12.458 10.893 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.286 -11.855 12.476 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.355 -12.038 11.783 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -1.804 -10.712 12.786 1.00 0.00 H new ATOM 645 N ASN A 41 -1.168 -11.117 7.972 1.00 0.00 N ATOM 646 CA ASN A 41 -1.290 -11.335 6.505 1.00 0.00 C ATOM 647 C ASN A 41 -2.199 -10.299 5.756 1.00 0.00 C ATOM 648 O ASN A 41 -1.766 -9.801 4.722 1.00 0.00 O ATOM 649 CB ASN A 41 -1.726 -12.807 6.300 1.00 0.00 C ATOM 650 CG ASN A 41 -1.840 -13.266 4.854 1.00 0.00 C ATOM 651 OD1 ASN A 41 -2.914 -13.261 4.267 1.00 0.00 O ATOM 652 ND2 ASN A 41 -0.767 -13.661 4.220 1.00 0.00 N ATOM 0 H ASN A 41 -1.587 -11.856 8.537 1.00 0.00 H new ATOM 0 HA ASN A 41 -0.322 -11.157 6.038 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -1.012 -13.453 6.812 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -2.691 -12.952 6.785 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -0.831 -13.960 3.247 1.00 0.00 H new ATOM 0 HD22 ASN A 41 0.134 -13.670 4.698 1.00 0.00 H new ATOM 659 N ALA A 42 -3.413 -9.988 6.237 1.00 0.00 N ATOM 660 CA ALA A 42 -4.414 -9.195 5.471 1.00 0.00 C ATOM 661 C ALA A 42 -3.989 -7.819 4.853 1.00 0.00 C ATOM 662 O ALA A 42 -4.287 -7.574 3.683 1.00 0.00 O ATOM 663 CB ALA A 42 -5.638 -9.073 6.391 1.00 0.00 C ATOM 0 H ALA A 42 -3.736 -10.273 7.162 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.602 -9.741 4.547 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.416 -8.499 5.888 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.016 -10.068 6.627 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.352 -8.566 7.312 1.00 0.00 H new ATOM 669 N ALA A 43 -3.263 -6.970 5.595 1.00 0.00 N ATOM 670 CA ALA A 43 -2.663 -5.725 5.041 1.00 0.00 C ATOM 671 C ALA A 43 -1.603 -5.910 3.897 1.00 0.00 C ATOM 672 O ALA A 43 -1.731 -5.290 2.839 1.00 0.00 O ATOM 673 CB ALA A 43 -2.087 -4.966 6.246 1.00 0.00 C ATOM 0 H ALA A 43 -3.071 -7.115 6.586 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.445 -5.169 4.524 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.629 -4.037 5.906 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.888 -4.740 6.950 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.335 -5.582 6.738 1.00 0.00 H new ATOM 679 N GLU A 44 -0.595 -6.772 4.105 1.00 0.00 N ATOM 680 CA GLU A 44 0.358 -7.179 3.033 1.00 0.00 C ATOM 681 C GLU A 44 -0.172 -8.114 1.890 1.00 0.00 C ATOM 682 O GLU A 44 0.422 -8.128 0.811 1.00 0.00 O ATOM 683 CB GLU A 44 1.672 -7.663 3.694 1.00 0.00 C ATOM 684 CG GLU A 44 1.660 -8.952 4.535 1.00 0.00 C ATOM 685 CD GLU A 44 1.933 -10.232 3.768 1.00 0.00 C ATOM 686 OE1 GLU A 44 3.058 -10.632 3.493 1.00 0.00 O ATOM 687 OE2 GLU A 44 0.798 -10.893 3.420 1.00 0.00 O ATOM 0 H GLU A 44 -0.409 -7.209 5.008 1.00 0.00 H new ATOM 0 HA GLU A 44 0.540 -6.281 2.443 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.408 -7.796 2.901 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.033 -6.858 4.333 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.404 -8.857 5.326 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.688 -9.040 5.021 1.00 0.00 H new ATOM 695 N GLU A 45 -1.276 -8.848 2.088 1.00 0.00 N ATOM 696 CA GLU A 45 -1.930 -9.664 1.027 1.00 0.00 C ATOM 697 C GLU A 45 -2.659 -8.858 -0.094 1.00 0.00 C ATOM 698 O GLU A 45 -2.496 -9.187 -1.271 1.00 0.00 O ATOM 699 CB GLU A 45 -2.833 -10.699 1.738 1.00 0.00 C ATOM 700 CG GLU A 45 -3.287 -11.897 0.880 1.00 0.00 C ATOM 701 CD GLU A 45 -2.180 -12.834 0.417 1.00 0.00 C ATOM 702 OE1 GLU A 45 -1.182 -13.113 1.077 1.00 0.00 O ATOM 703 OE2 GLU A 45 -2.415 -13.329 -0.828 1.00 0.00 O ATOM 0 H GLU A 45 -1.751 -8.900 2.989 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.153 -10.166 0.450 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.299 -11.081 2.608 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.720 -10.185 2.109 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.012 -12.476 1.452 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.806 -11.515 0.001 1.00 0.00 H new ATOM 711 N HIS A 46 -3.388 -7.783 0.244 1.00 0.00 N ATOM 712 CA HIS A 46 -3.788 -6.747 -0.753 1.00 0.00 C ATOM 713 C HIS A 46 -2.595 -5.981 -1.464 1.00 0.00 C ATOM 714 O HIS A 46 -2.714 -5.641 -2.641 1.00 0.00 O ATOM 715 CB HIS A 46 -4.706 -5.700 -0.076 1.00 0.00 C ATOM 716 CG HIS A 46 -6.073 -6.202 0.398 1.00 0.00 C ATOM 717 ND1 HIS A 46 -7.060 -6.652 -0.467 1.00 0.00 N ATOM 718 CD2 HIS A 46 -6.529 -6.253 1.728 1.00 0.00 C ATOM 719 CE1 HIS A 46 -8.041 -6.948 0.440 1.00 0.00 C ATOM 720 NE2 HIS A 46 -7.816 -6.744 1.771 1.00 0.00 N ATOM 0 H HIS A 46 -3.717 -7.598 1.192 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.299 -7.303 -1.539 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.177 -5.285 0.782 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.867 -4.881 -0.777 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.954 -5.951 2.591 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.989 -7.341 0.104 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -8.427 -6.908 2.571 1.00 0.00 H new ATOM 728 N LEU A 47 -1.481 -5.733 -0.758 1.00 0.00 N ATOM 729 CA LEU A 47 -0.286 -5.037 -1.309 1.00 0.00 C ATOM 730 C LEU A 47 0.386 -5.687 -2.566 1.00 0.00 C ATOM 731 O LEU A 47 0.658 -4.958 -3.523 1.00 0.00 O ATOM 732 CB LEU A 47 0.692 -4.854 -0.119 1.00 0.00 C ATOM 733 CG LEU A 47 1.771 -3.762 -0.280 1.00 0.00 C ATOM 734 CD1 LEU A 47 1.185 -2.354 -0.120 1.00 0.00 C ATOM 735 CD2 LEU A 47 2.859 -3.969 0.787 1.00 0.00 C ATOM 0 H LEU A 47 -1.374 -6.008 0.218 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.606 -4.083 -1.727 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.107 -4.628 0.772 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.193 -5.805 0.061 1.00 0.00 H new ATOM 0 HG LEU A 47 2.187 -3.847 -1.284 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.977 -1.615 -0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.418 -2.191 -0.877 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.743 -2.254 0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.625 -3.201 0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.413 -3.900 1.779 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.311 -4.953 0.660 1.00 0.00 H new ATOM 747 N LYS A 48 0.620 -7.016 -2.616 1.00 0.00 N ATOM 748 CA LYS A 48 1.112 -7.680 -3.862 1.00 0.00 C ATOM 749 C LYS A 48 0.177 -7.659 -5.123 1.00 0.00 C ATOM 750 O LYS A 48 0.700 -7.604 -6.237 1.00 0.00 O ATOM 751 CB LYS A 48 1.731 -9.072 -3.598 1.00 0.00 C ATOM 752 CG LYS A 48 0.805 -10.254 -3.283 1.00 0.00 C ATOM 753 CD LYS A 48 0.539 -10.492 -1.793 1.00 0.00 C ATOM 754 CE LYS A 48 1.703 -11.166 -1.061 1.00 0.00 C ATOM 755 NZ LYS A 48 1.348 -11.339 0.358 1.00 0.00 N ATOM 0 H LYS A 48 0.482 -7.649 -1.828 1.00 0.00 H new ATOM 0 HA LYS A 48 1.911 -7.005 -4.168 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.320 -9.341 -4.475 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.427 -8.969 -2.766 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.149 -10.092 -3.785 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.239 -11.159 -3.708 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.324 -9.537 -1.314 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.353 -11.110 -1.686 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.922 -12.133 -1.514 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.605 -10.560 -1.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.129 -11.812 0.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.176 -10.408 0.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.488 -11.919 0.432 1.00 0.00 H new ATOM 768 N ALA A 49 -1.158 -7.647 -4.972 1.00 0.00 N ATOM 769 CA ALA A 49 -2.086 -7.326 -6.095 1.00 0.00 C ATOM 770 C ALA A 49 -1.919 -5.914 -6.772 1.00 0.00 C ATOM 771 O ALA A 49 -2.003 -5.807 -7.996 1.00 0.00 O ATOM 772 CB ALA A 49 -3.509 -7.534 -5.556 1.00 0.00 C ATOM 0 H ALA A 49 -1.628 -7.854 -4.091 1.00 0.00 H new ATOM 0 HA ALA A 49 -1.843 -7.995 -6.921 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.232 -7.312 -6.341 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.629 -8.569 -5.235 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.678 -6.869 -4.709 1.00 0.00 H new ATOM 778 N LEU A 50 -1.631 -4.871 -5.987 1.00 0.00 N ATOM 779 CA LEU A 50 -1.196 -3.540 -6.497 1.00 0.00 C ATOM 780 C LEU A 50 0.207 -3.536 -7.230 1.00 0.00 C ATOM 781 O LEU A 50 0.344 -2.872 -8.259 1.00 0.00 O ATOM 782 CB LEU A 50 -1.181 -2.572 -5.289 1.00 0.00 C ATOM 783 CG LEU A 50 -2.506 -1.987 -4.756 1.00 0.00 C ATOM 784 CD1 LEU A 50 -3.719 -2.910 -4.710 1.00 0.00 C ATOM 785 CD2 LEU A 50 -2.259 -1.493 -3.313 1.00 0.00 C ATOM 0 H LEU A 50 -1.690 -4.914 -4.970 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.902 -3.230 -7.268 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.700 -3.093 -4.461 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.538 -1.732 -5.554 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.766 -1.212 -5.477 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.576 -2.365 -4.315 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.946 -3.263 -5.716 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.503 -3.763 -4.066 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.180 -1.073 -2.909 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.939 -2.329 -2.692 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.483 -0.727 -3.318 1.00 0.00 H new ATOM 797 N ALA A 51 1.214 -4.285 -6.752 1.00 0.00 N ATOM 798 CA ALA A 51 2.432 -4.584 -7.556 1.00 0.00 C ATOM 799 C ALA A 51 2.213 -5.396 -8.884 1.00 0.00 C ATOM 800 O ALA A 51 2.797 -5.030 -9.904 1.00 0.00 O ATOM 801 CB ALA A 51 3.434 -5.269 -6.621 1.00 0.00 C ATOM 0 H ALA A 51 1.218 -4.697 -5.819 1.00 0.00 H new ATOM 0 HA ALA A 51 2.809 -3.634 -7.936 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.344 -5.506 -7.173 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.675 -4.601 -5.794 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.997 -6.188 -6.230 1.00 0.00 H new ATOM 807 N ARG A 52 1.356 -6.431 -8.890 1.00 0.00 N ATOM 808 CA ARG A 52 0.905 -7.110 -10.141 1.00 0.00 C ATOM 809 C ARG A 52 0.118 -6.227 -11.184 1.00 0.00 C ATOM 810 O ARG A 52 0.318 -6.407 -12.386 1.00 0.00 O ATOM 811 CB ARG A 52 0.073 -8.365 -9.782 1.00 0.00 C ATOM 812 CG ARG A 52 0.837 -9.536 -9.135 1.00 0.00 C ATOM 813 CD ARG A 52 1.889 -10.229 -10.013 1.00 0.00 C ATOM 814 NE ARG A 52 1.278 -11.039 -11.094 1.00 0.00 N ATOM 815 CZ ARG A 52 1.178 -10.697 -12.369 1.00 0.00 C ATOM 816 NH1 ARG A 52 1.589 -9.570 -12.871 1.00 0.00 N ATOM 817 NH2 ARG A 52 0.626 -11.547 -13.165 1.00 0.00 N ATOM 0 H ARG A 52 0.953 -6.826 -8.041 1.00 0.00 H new ATOM 0 HA ARG A 52 1.831 -7.367 -10.656 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.725 -8.062 -9.104 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.403 -8.730 -10.692 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.331 -9.167 -8.236 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.111 -10.284 -8.816 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.544 -9.477 -10.452 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.513 -10.870 -9.390 1.00 0.00 H new ATOM 0 HE ARG A 52 0.898 -11.948 -10.830 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.026 -8.873 -12.269 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.474 -9.383 -13.867 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.288 -12.439 -12.804 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.527 -11.328 -14.156 1.00 0.00 H new ATOM 830 N LYS A 53 -0.702 -5.265 -10.739 1.00 0.00 N ATOM 831 CA LYS A 53 -1.180 -4.142 -11.602 1.00 0.00 C ATOM 832 C LYS A 53 -0.078 -3.222 -12.263 1.00 0.00 C ATOM 833 O LYS A 53 -0.325 -2.660 -13.333 1.00 0.00 O ATOM 834 CB LYS A 53 -2.146 -3.324 -10.703 1.00 0.00 C ATOM 835 CG LYS A 53 -2.909 -2.157 -11.344 1.00 0.00 C ATOM 836 CD LYS A 53 -4.168 -2.514 -12.128 1.00 0.00 C ATOM 837 CE LYS A 53 -4.059 -3.283 -13.446 1.00 0.00 C ATOM 838 NZ LYS A 53 -3.201 -2.622 -14.448 1.00 0.00 N ATOM 0 H LYS A 53 -1.057 -5.230 -9.784 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.653 -4.570 -12.486 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.879 -4.014 -10.286 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.570 -2.928 -9.867 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.185 -1.457 -10.556 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.228 -1.631 -12.013 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.808 -3.097 -11.465 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.693 -1.582 -12.339 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.666 -4.279 -13.244 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.057 -3.413 -13.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.253 -3.142 -15.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.527 -1.645 -14.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.217 -2.612 -14.110 1.00 0.00 H new ATOM 851 N GLY A 54 1.083 -3.048 -11.619 1.00 0.00 N ATOM 852 CA GLY A 54 2.164 -2.160 -12.111 1.00 0.00 C ATOM 853 C GLY A 54 2.252 -0.734 -11.529 1.00 0.00 C ATOM 854 O GLY A 54 2.753 0.156 -12.218 1.00 0.00 O ATOM 0 H GLY A 54 1.307 -3.516 -10.741 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.116 -2.657 -11.922 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.058 -2.073 -13.192 1.00 0.00 H new ATOM 858 N VAL A 55 1.820 -0.525 -10.277 1.00 0.00 N ATOM 859 CA VAL A 55 1.839 0.815 -9.614 1.00 0.00 C ATOM 860 C VAL A 55 2.905 0.990 -8.475 1.00 0.00 C ATOM 861 O VAL A 55 3.492 2.071 -8.363 1.00 0.00 O ATOM 862 CB VAL A 55 0.380 1.230 -9.244 1.00 0.00 C ATOM 863 CG1 VAL A 55 -0.256 0.514 -8.047 1.00 0.00 C ATOM 864 CG2 VAL A 55 0.243 2.748 -9.047 1.00 0.00 C ATOM 0 H VAL A 55 1.446 -1.268 -9.686 1.00 0.00 H new ATOM 0 HA VAL A 55 2.213 1.539 -10.338 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.180 0.898 -10.118 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.267 0.891 -7.893 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.294 -0.558 -8.242 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.340 0.699 -7.153 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.789 2.990 -8.791 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.902 3.071 -8.241 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.518 3.261 -9.969 1.00 0.00 H new ATOM 874 N ILE A 56 3.144 -0.038 -7.645 1.00 0.00 N ATOM 875 CA ILE A 56 4.106 0.021 -6.508 1.00 0.00 C ATOM 876 C ILE A 56 5.211 -1.094 -6.605 1.00 0.00 C ATOM 877 O ILE A 56 4.926 -2.258 -6.901 1.00 0.00 O ATOM 878 CB ILE A 56 3.404 -0.043 -5.091 1.00 0.00 C ATOM 879 CG1 ILE A 56 2.443 -1.240 -4.913 1.00 0.00 C ATOM 880 CG2 ILE A 56 2.700 1.295 -4.779 1.00 0.00 C ATOM 881 CD1 ILE A 56 2.047 -1.545 -3.471 1.00 0.00 C ATOM 0 H ILE A 56 2.679 -0.941 -7.735 1.00 0.00 H new ATOM 0 HA ILE A 56 4.584 0.997 -6.596 1.00 0.00 H new ATOM 0 HB ILE A 56 4.200 -0.209 -4.365 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.538 -1.048 -5.489 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.910 -2.127 -5.340 1.00 0.00 H new ATOM 0 HG21 ILE A 56 2.222 1.235 -3.801 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.434 2.100 -4.775 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.946 1.495 -5.540 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.372 -2.401 -3.452 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.940 -1.774 -2.889 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.546 -0.678 -3.040 1.00 0.00 H new ATOM 893 N GLU A 57 6.461 -0.733 -6.295 1.00 0.00 N ATOM 894 CA GLU A 57 7.588 -1.703 -6.185 1.00 0.00 C ATOM 895 C GLU A 57 7.895 -1.989 -4.680 1.00 0.00 C ATOM 896 O GLU A 57 8.320 -1.105 -3.931 1.00 0.00 O ATOM 897 CB GLU A 57 8.759 -1.095 -6.989 1.00 0.00 C ATOM 898 CG GLU A 57 10.031 -1.961 -7.057 1.00 0.00 C ATOM 899 CD GLU A 57 11.158 -1.294 -7.834 1.00 0.00 C ATOM 900 OE1 GLU A 57 12.097 -0.713 -7.299 1.00 0.00 O ATOM 901 OE2 GLU A 57 10.993 -1.410 -9.182 1.00 0.00 O ATOM 0 H GLU A 57 6.733 0.233 -6.111 1.00 0.00 H new ATOM 0 HA GLU A 57 7.362 -2.683 -6.605 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.417 -0.900 -8.006 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.018 -0.132 -6.550 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.372 -2.177 -6.045 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.790 -2.916 -7.523 1.00 0.00 H new ATOM 909 N ILE A 58 7.651 -3.229 -4.248 1.00 0.00 N ATOM 910 CA ILE A 58 7.727 -3.625 -2.806 1.00 0.00 C ATOM 911 C ILE A 58 9.156 -4.197 -2.494 1.00 0.00 C ATOM 912 O ILE A 58 9.627 -5.130 -3.150 1.00 0.00 O ATOM 913 CB ILE A 58 6.595 -4.677 -2.483 1.00 0.00 C ATOM 914 CG1 ILE A 58 5.160 -4.147 -2.791 1.00 0.00 C ATOM 915 CG2 ILE A 58 6.619 -5.118 -0.996 1.00 0.00 C ATOM 916 CD1 ILE A 58 4.120 -5.260 -2.941 1.00 0.00 C ATOM 0 H ILE A 58 7.395 -3.996 -4.870 1.00 0.00 H new ATOM 0 HA ILE A 58 7.566 -2.755 -2.170 1.00 0.00 H new ATOM 0 HB ILE A 58 6.814 -5.522 -3.135 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.849 -3.475 -1.991 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.187 -3.559 -3.708 1.00 0.00 H new ATOM 0 HG21 ILE A 58 5.824 -5.842 -0.818 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.582 -5.574 -0.767 1.00 0.00 H new ATOM 0 HG23 ILE A 58 6.468 -4.249 -0.356 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.145 -4.821 -3.154 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.408 -5.919 -3.760 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.065 -5.834 -2.016 1.00 0.00 H new ATOM 928 N VAL A 59 9.817 -3.657 -1.465 1.00 0.00 N ATOM 929 CA VAL A 59 11.181 -4.102 -1.054 1.00 0.00 C ATOM 930 C VAL A 59 11.069 -5.347 -0.103 1.00 0.00 C ATOM 931 O VAL A 59 10.565 -5.248 1.022 1.00 0.00 O ATOM 932 CB VAL A 59 11.962 -2.925 -0.368 1.00 0.00 C ATOM 933 CG1 VAL A 59 13.408 -3.320 0.025 1.00 0.00 C ATOM 934 CG2 VAL A 59 12.099 -1.667 -1.260 1.00 0.00 C ATOM 0 H VAL A 59 9.438 -2.905 -0.889 1.00 0.00 H new ATOM 0 HA VAL A 59 11.744 -4.396 -1.939 1.00 0.00 H new ATOM 0 HB VAL A 59 11.356 -2.703 0.510 1.00 0.00 H new ATOM 0 HG11 VAL A 59 13.902 -2.470 0.495 1.00 0.00 H new ATOM 0 HG12 VAL A 59 13.380 -4.155 0.724 1.00 0.00 H new ATOM 0 HG13 VAL A 59 13.961 -3.613 -0.868 1.00 0.00 H new ATOM 0 HG21 VAL A 59 12.649 -0.896 -0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 59 12.636 -1.925 -2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 59 11.108 -1.293 -1.516 1.00 0.00 H new ATOM 944 N SER A 60 11.584 -6.502 -0.542 1.00 0.00 N ATOM 945 CA SER A 60 11.589 -7.745 0.276 1.00 0.00 C ATOM 946 C SER A 60 12.678 -7.748 1.402 1.00 0.00 C ATOM 947 O SER A 60 13.802 -8.223 1.211 1.00 0.00 O ATOM 948 CB SER A 60 11.741 -8.945 -0.696 1.00 0.00 C ATOM 949 OG SER A 60 13.021 -8.977 -1.335 1.00 0.00 O ATOM 0 H SER A 60 12.008 -6.613 -1.463 1.00 0.00 H new ATOM 0 HA SER A 60 10.648 -7.817 0.821 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.590 -9.874 -0.147 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.961 -8.894 -1.456 1.00 0.00 H new ATOM 0 HG SER A 60 13.721 -8.794 -0.674 1.00 0.00 H new ATOM 955 N GLY A 61 12.323 -7.179 2.559 1.00 0.00 N ATOM 956 CA GLY A 61 13.285 -6.948 3.665 1.00 0.00 C ATOM 957 C GLY A 61 12.947 -5.725 4.532 1.00 0.00 C ATOM 958 O GLY A 61 12.579 -5.870 5.699 1.00 0.00 O ATOM 0 H GLY A 61 11.374 -6.865 2.763 1.00 0.00 H new ATOM 0 HA2 GLY A 61 13.316 -7.834 4.299 1.00 0.00 H new ATOM 0 HA3 GLY A 61 14.283 -6.821 3.246 1.00 0.00 H new ATOM 962 N ALA A 62 13.077 -4.521 3.962 1.00 0.00 N ATOM 963 CA ALA A 62 12.734 -3.263 4.664 1.00 0.00 C ATOM 964 C ALA A 62 11.197 -3.012 4.768 1.00 0.00 C ATOM 965 O ALA A 62 10.530 -2.755 3.764 1.00 0.00 O ATOM 966 CB ALA A 62 13.440 -2.130 3.896 1.00 0.00 C ATOM 0 H ALA A 62 13.419 -4.384 3.011 1.00 0.00 H new ATOM 0 HA ALA A 62 13.071 -3.317 5.699 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.220 -1.175 4.373 1.00 0.00 H new ATOM 0 HB2 ALA A 62 14.517 -2.300 3.905 1.00 0.00 H new ATOM 0 HB3 ALA A 62 13.084 -2.112 2.866 1.00 0.00 H new ATOM 972 N SER A 63 10.654 -3.070 5.994 1.00 0.00 N ATOM 973 CA SER A 63 9.202 -2.818 6.240 1.00 0.00 C ATOM 974 C SER A 63 8.670 -1.353 6.068 1.00 0.00 C ATOM 975 O SER A 63 7.474 -1.186 5.830 1.00 0.00 O ATOM 976 CB SER A 63 8.841 -3.380 7.634 1.00 0.00 C ATOM 977 OG SER A 63 8.961 -4.804 7.664 1.00 0.00 O ATOM 0 H SER A 63 11.186 -3.288 6.836 1.00 0.00 H new ATOM 0 HA SER A 63 8.687 -3.336 5.431 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.496 -2.941 8.387 1.00 0.00 H new ATOM 0 HB3 SER A 63 7.822 -3.093 7.892 1.00 0.00 H new ATOM 0 HG SER A 63 8.729 -5.133 8.557 1.00 0.00 H new ATOM 983 N ARG A 64 9.525 -0.319 6.142 1.00 0.00 N ATOM 984 CA ARG A 64 9.262 0.961 5.417 1.00 0.00 C ATOM 985 C ARG A 64 9.945 0.888 4.006 1.00 0.00 C ATOM 986 O ARG A 64 11.082 1.327 3.810 1.00 0.00 O ATOM 987 CB ARG A 64 9.781 2.124 6.292 1.00 0.00 C ATOM 988 CG ARG A 64 9.287 3.508 5.822 1.00 0.00 C ATOM 989 CD ARG A 64 9.750 4.670 6.714 1.00 0.00 C ATOM 990 NE ARG A 64 11.195 4.934 6.521 1.00 0.00 N ATOM 991 CZ ARG A 64 11.967 5.641 7.324 1.00 0.00 C ATOM 992 NH1 ARG A 64 11.564 6.218 8.418 1.00 0.00 N ATOM 993 NH2 ARG A 64 13.206 5.763 6.992 1.00 0.00 N ATOM 0 H ARG A 64 10.390 -0.330 6.682 1.00 0.00 H new ATOM 0 HA ARG A 64 8.199 1.130 5.246 1.00 0.00 H new ATOM 0 HB2 ARG A 64 9.464 1.964 7.323 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.871 2.114 6.288 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.638 3.682 4.805 1.00 0.00 H new ATOM 0 HG3 ARG A 64 8.198 3.501 5.787 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.177 5.567 6.479 1.00 0.00 H new ATOM 0 HD3 ARG A 64 9.555 4.432 7.760 1.00 0.00 H new ATOM 0 HE ARG A 64 11.633 4.533 5.692 1.00 0.00 H new ATOM 0 HH11 ARG A 64 10.589 6.140 8.707 1.00 0.00 H new ATOM 0 HH12 ARG A 64 12.223 6.749 8.987 1.00 0.00 H new ATOM 0 HH21 ARG A 64 13.551 5.322 6.139 1.00 0.00 H new ATOM 0 HH22 ARG A 64 13.841 6.300 7.582 1.00 0.00 H new ATOM 1006 N GLY A 65 9.247 0.274 3.046 1.00 0.00 N ATOM 1007 CA GLY A 65 9.827 -0.007 1.711 1.00 0.00 C ATOM 1008 C GLY A 65 8.800 -0.308 0.614 1.00 0.00 C ATOM 1009 O GLY A 65 8.779 -1.405 0.055 1.00 0.00 O ATOM 0 H GLY A 65 8.283 -0.040 3.159 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.426 0.850 1.403 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.505 -0.856 1.797 1.00 0.00 H new ATOM 1013 N ILE A 66 7.978 0.688 0.289 1.00 0.00 N ATOM 1014 CA ILE A 66 6.962 0.587 -0.791 1.00 0.00 C ATOM 1015 C ILE A 66 7.220 1.817 -1.729 1.00 0.00 C ATOM 1016 O ILE A 66 6.838 2.946 -1.415 1.00 0.00 O ATOM 1017 CB ILE A 66 5.495 0.542 -0.232 1.00 0.00 C ATOM 1018 CG1 ILE A 66 5.194 -0.648 0.727 1.00 0.00 C ATOM 1019 CG2 ILE A 66 4.480 0.430 -1.407 1.00 0.00 C ATOM 1020 CD1 ILE A 66 5.447 -0.354 2.207 1.00 0.00 C ATOM 0 H ILE A 66 7.987 1.593 0.759 1.00 0.00 H new ATOM 0 HA ILE A 66 7.060 -0.349 -1.341 1.00 0.00 H new ATOM 0 HB ILE A 66 5.393 1.467 0.335 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.152 -0.944 0.602 1.00 0.00 H new ATOM 0 HG13 ILE A 66 5.805 -1.500 0.430 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.465 0.399 -1.010 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.587 1.294 -2.064 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.676 -0.481 -1.972 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.211 -1.238 2.799 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.495 -0.090 2.352 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.816 0.476 2.526 1.00 0.00 H new ATOM 1032 N ARG A 67 7.877 1.600 -2.871 1.00 0.00 N ATOM 1033 CA ARG A 67 8.184 2.691 -3.835 1.00 0.00 C ATOM 1034 C ARG A 67 6.977 2.950 -4.783 1.00 0.00 C ATOM 1035 O ARG A 67 6.652 2.116 -5.634 1.00 0.00 O ATOM 1036 CB ARG A 67 9.478 2.257 -4.568 1.00 0.00 C ATOM 1037 CG ARG A 67 9.958 3.202 -5.686 1.00 0.00 C ATOM 1038 CD ARG A 67 11.117 2.588 -6.485 1.00 0.00 C ATOM 1039 NE ARG A 67 11.411 3.481 -7.628 1.00 0.00 N ATOM 1040 CZ ARG A 67 12.123 3.157 -8.693 1.00 0.00 C ATOM 1041 NH1 ARG A 67 12.680 1.997 -8.889 1.00 0.00 N ATOM 1042 NH2 ARG A 67 12.270 4.061 -9.600 1.00 0.00 N ATOM 0 H ARG A 67 8.212 0.682 -3.162 1.00 0.00 H new ATOM 0 HA ARG A 67 8.350 3.650 -3.343 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.276 2.159 -3.832 1.00 0.00 H new ATOM 0 HB3 ARG A 67 9.317 1.268 -4.997 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.129 3.423 -6.358 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.277 4.149 -5.251 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.998 2.476 -5.853 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.850 1.592 -6.839 1.00 0.00 H new ATOM 0 HE ARG A 67 11.032 4.427 -7.590 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.581 1.259 -8.191 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.215 1.826 -9.740 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.845 4.980 -9.478 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.811 3.857 -10.440 1.00 0.00 H new ATOM 1055 N LEU A 68 6.352 4.127 -4.665 1.00 0.00 N ATOM 1056 CA LEU A 68 5.298 4.576 -5.620 1.00 0.00 C ATOM 1057 C LEU A 68 5.919 5.164 -6.928 1.00 0.00 C ATOM 1058 O LEU A 68 6.073 6.378 -7.083 1.00 0.00 O ATOM 1059 CB LEU A 68 4.395 5.560 -4.834 1.00 0.00 C ATOM 1060 CG LEU A 68 3.129 6.070 -5.557 1.00 0.00 C ATOM 1061 CD1 LEU A 68 2.119 4.963 -5.860 1.00 0.00 C ATOM 1062 CD2 LEU A 68 2.441 7.135 -4.683 1.00 0.00 C ATOM 0 H LEU A 68 6.549 4.796 -3.921 1.00 0.00 H new ATOM 0 HA LEU A 68 4.690 3.747 -5.982 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.086 5.073 -3.909 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.997 6.424 -4.553 1.00 0.00 H new ATOM 0 HG LEU A 68 3.457 6.483 -6.511 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.254 5.389 -6.368 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.583 4.213 -6.500 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.799 4.497 -4.928 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.547 7.498 -5.189 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.163 6.695 -3.725 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.126 7.966 -4.515 1.00 0.00 H new ATOM 1074 N LEU A 69 6.269 4.274 -7.864 1.00 0.00 N ATOM 1075 CA LEU A 69 6.857 4.651 -9.179 1.00 0.00 C ATOM 1076 C LEU A 69 5.896 5.138 -10.317 1.00 0.00 C ATOM 1077 O LEU A 69 6.335 5.841 -11.230 1.00 0.00 O ATOM 1078 CB LEU A 69 7.879 3.576 -9.623 1.00 0.00 C ATOM 1079 CG LEU A 69 7.483 2.087 -9.701 1.00 0.00 C ATOM 1080 CD1 LEU A 69 6.389 1.784 -10.721 1.00 0.00 C ATOM 1081 CD2 LEU A 69 8.743 1.276 -10.074 1.00 0.00 C ATOM 0 H LEU A 69 6.157 3.268 -7.742 1.00 0.00 H new ATOM 0 HA LEU A 69 7.372 5.592 -8.987 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.236 3.864 -10.612 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.730 3.645 -8.945 1.00 0.00 H new ATOM 0 HG LEU A 69 7.079 1.813 -8.726 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.170 0.716 -10.713 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.488 2.341 -10.465 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.727 2.077 -11.715 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.489 0.218 -10.136 1.00 0.00 H new ATOM 0 HD22 LEU A 69 9.122 1.615 -11.038 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.508 1.422 -9.312 1.00 0.00 H new