USER MOD reduce.3.24.130724 H: found=0, std=0, add=291, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 292 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 Single : A 309 SER OG : rot -63:sc= 0.214 USER MOD Single : A 310 GLN : amide:sc= -0.264 X(o=-0.26,f=-0.72) USER MOD Single : A 314 THR OG1 : rot 180:sc= 0 USER MOD Single : A 316 GLN : amide:sc= -0.124 K(o=-0.12,f=-1.9!) USER MOD Single : A 320 GLN : amide:sc= -0.238 K(o=-0.24,f=-1) USER MOD Single : A 329 SER OG : rot 180:sc= 0 USER MOD Single : A 334 GLN : amide:sc= -0.46 K(o=-0.46,f=-1.8) USER MOD Single : A 335 TYR OH : rot 180:sc= 0 USER MOD Single : A 338 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 343 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 309 8.015 -4.711 -15.528 1.00 34.51 N ATOM 2 CA SER A 309 8.525 -5.389 -16.714 1.00 25.44 C ATOM 3 C SER A 309 10.041 -5.545 -16.640 1.00 24.34 C ATOM 4 O SER A 309 10.760 -5.158 -17.561 1.00 3.43 O ATOM 5 CB SER A 309 8.141 -4.614 -17.976 1.00 30.31 C ATOM 6 OG SER A 309 8.456 -5.353 -19.143 1.00 3.10 O ATOM 0 HA SER A 309 8.076 -6.382 -16.756 1.00 25.44 H new ATOM 0 HB2 SER A 309 7.074 -4.391 -17.959 1.00 30.31 H new ATOM 0 HB3 SER A 309 8.666 -3.659 -17.994 1.00 30.31 H new ATOM 0 HG SER A 309 9.425 -5.493 -19.190 1.00 3.10 H new ATOM 12 N GLN A 310 10.518 -6.114 -15.538 1.00 0.44 N ATOM 13 CA GLN A 310 11.949 -6.321 -15.343 1.00 64.34 C ATOM 14 C GLN A 310 12.257 -7.793 -15.090 1.00 61.54 C ATOM 15 O GLN A 310 11.350 -8.606 -14.915 1.00 12.40 O ATOM 16 CB GLN A 310 12.454 -5.473 -14.175 1.00 74.44 C ATOM 17 CG GLN A 310 11.610 -5.607 -12.918 1.00 22.11 C ATOM 18 CD GLN A 310 10.480 -4.598 -12.862 1.00 62.21 C ATOM 19 OE1 GLN A 310 10.680 -3.410 -13.122 1.00 22.13 O ATOM 20 NE2 GLN A 310 9.285 -5.065 -12.524 1.00 12.02 N ATOM 0 H GLN A 310 9.935 -6.440 -14.767 1.00 0.44 H new ATOM 0 HA GLN A 310 12.462 -6.013 -16.254 1.00 64.34 H new ATOM 0 HB2 GLN A 310 13.480 -5.759 -13.946 1.00 74.44 H new ATOM 0 HB3 GLN A 310 12.475 -4.426 -14.479 1.00 74.44 H new ATOM 0 HG2 GLN A 310 11.195 -6.614 -12.869 1.00 22.11 H new ATOM 0 HG3 GLN A 310 12.247 -5.482 -12.042 1.00 22.11 H new ATOM 0 HE21 GLN A 310 9.165 -6.056 -12.317 1.00 12.02 H new ATOM 0 HE22 GLN A 310 8.487 -4.433 -12.471 1.00 12.02 H new ATOM 29 N ALA A 311 13.542 -8.129 -15.071 1.00 13.30 N ATOM 30 CA ALA A 311 13.969 -9.502 -14.837 1.00 73.22 C ATOM 31 C ALA A 311 15.461 -9.568 -14.529 1.00 64.34 C ATOM 32 O ALA A 311 16.271 -8.929 -15.200 1.00 33.00 O ATOM 33 CB ALA A 311 13.640 -10.370 -16.042 1.00 53.52 C ATOM 0 H ALA A 311 14.306 -7.469 -15.215 1.00 13.30 H new ATOM 0 HA ALA A 311 13.428 -9.881 -13.970 1.00 73.22 H new ATOM 0 HB1 ALA A 311 13.965 -11.393 -15.853 1.00 53.52 H new ATOM 0 HB2 ALA A 311 12.564 -10.357 -16.217 1.00 53.52 H new ATOM 0 HB3 ALA A 311 14.155 -9.982 -16.921 1.00 53.52 H new ATOM 39 N GLU A 312 15.817 -10.343 -13.509 1.00 44.42 N ATOM 40 CA GLU A 312 17.213 -10.490 -13.111 1.00 31.30 C ATOM 41 C GLU A 312 17.750 -11.862 -13.510 1.00 1.20 C ATOM 42 O GLU A 312 18.608 -11.973 -14.384 1.00 30.13 O ATOM 43 CB GLU A 312 17.359 -10.291 -11.601 1.00 14.44 C ATOM 44 CG GLU A 312 17.465 -8.833 -11.187 1.00 23.41 C ATOM 45 CD GLU A 312 17.676 -8.663 -9.695 1.00 21.24 C ATOM 46 OE1 GLU A 312 18.758 -8.185 -9.299 1.00 74.24 O ATOM 47 OE2 GLU A 312 16.756 -9.010 -8.924 1.00 33.51 O1- ATOM 0 H GLU A 312 15.159 -10.879 -12.943 1.00 44.42 H new ATOM 0 HA GLU A 312 17.795 -9.727 -13.628 1.00 31.30 H new ATOM 0 HB2 GLU A 312 16.502 -10.741 -11.099 1.00 14.44 H new ATOM 0 HB3 GLU A 312 18.246 -10.823 -11.257 1.00 14.44 H new ATOM 0 HG2 GLU A 312 18.292 -8.367 -11.722 1.00 23.41 H new ATOM 0 HG3 GLU A 312 16.557 -8.308 -11.484 1.00 23.41 H new ATOM 54 N ALA A 313 17.239 -12.902 -12.860 1.00 53.34 N ATOM 55 CA ALA A 313 17.665 -14.266 -13.145 1.00 71.21 C ATOM 56 C ALA A 313 16.731 -14.935 -14.148 1.00 74.12 C ATOM 57 O ALA A 313 17.107 -15.184 -15.293 1.00 64.51 O ATOM 58 CB ALA A 313 17.734 -15.079 -11.861 1.00 72.52 C ATOM 0 H ALA A 313 16.529 -12.826 -12.132 1.00 53.34 H new ATOM 0 HA ALA A 313 18.660 -14.223 -13.587 1.00 71.21 H new ATOM 0 HB1 ALA A 313 18.054 -16.095 -12.091 1.00 72.52 H new ATOM 0 HB2 ALA A 313 18.448 -14.620 -11.177 1.00 72.52 H new ATOM 0 HB3 ALA A 313 16.750 -15.105 -11.394 1.00 72.52 H new ATOM 64 N THR A 314 15.510 -15.225 -13.709 1.00 11.43 N ATOM 65 CA THR A 314 14.522 -15.867 -14.566 1.00 25.33 C ATOM 66 C THR A 314 13.174 -15.161 -14.477 1.00 22.14 C ATOM 67 O THR A 314 12.995 -14.244 -13.675 1.00 70.54 O ATOM 68 CB THR A 314 14.337 -17.351 -14.198 1.00 71.12 C ATOM 69 OG1 THR A 314 13.980 -17.471 -12.816 1.00 22.13 O ATOM 70 CG2 THR A 314 15.610 -18.139 -14.468 1.00 34.33 C ATOM 0 H THR A 314 15.182 -15.025 -12.764 1.00 11.43 H new ATOM 0 HA THR A 314 14.898 -15.798 -15.587 1.00 25.33 H new ATOM 0 HB THR A 314 13.538 -17.759 -14.817 1.00 71.12 H new ATOM 0 HG1 THR A 314 13.862 -18.417 -12.590 1.00 22.13 H new ATOM 0 HG21 THR A 314 15.455 -19.184 -14.200 1.00 34.33 H new ATOM 0 HG22 THR A 314 15.864 -18.069 -15.526 1.00 34.33 H new ATOM 0 HG23 THR A 314 16.425 -17.729 -13.872 1.00 34.33 H new ATOM 78 N ARG A 315 12.228 -15.593 -15.304 1.00 53.30 N ATOM 79 CA ARG A 315 10.895 -15.002 -15.317 1.00 33.15 C ATOM 80 C ARG A 315 9.831 -16.052 -15.015 1.00 41.44 C ATOM 81 O ARG A 315 8.872 -15.787 -14.291 1.00 54.23 O ATOM 82 CB ARG A 315 10.616 -14.353 -16.675 1.00 75.03 C ATOM 83 CG ARG A 315 10.903 -15.265 -17.856 1.00 61.41 C ATOM 84 CD ARG A 315 10.748 -14.530 -19.178 1.00 33.15 C ATOM 85 NE ARG A 315 11.997 -13.906 -19.607 1.00 73.04 N ATOM 86 CZ ARG A 315 12.197 -13.426 -20.829 1.00 2.53 C ATOM 87 NH1 ARG A 315 11.235 -13.498 -21.738 1.00 75.00 N1+ ATOM 88 NH2 ARG A 315 13.360 -12.871 -21.144 1.00 64.32 N ATOM 0 H ARG A 315 12.360 -16.351 -15.974 1.00 53.30 H new ATOM 0 HA ARG A 315 10.856 -14.238 -14.541 1.00 33.15 H new ATOM 0 HB2 ARG A 315 9.572 -14.042 -16.712 1.00 75.03 H new ATOM 0 HB3 ARG A 315 11.221 -13.451 -16.768 1.00 75.03 H new ATOM 0 HG2 ARG A 315 11.916 -15.660 -17.775 1.00 61.41 H new ATOM 0 HG3 ARG A 315 10.225 -16.118 -17.831 1.00 61.41 H new ATOM 0 HD2 ARG A 315 10.410 -15.228 -19.944 1.00 33.15 H new ATOM 0 HD3 ARG A 315 9.976 -13.766 -19.080 1.00 33.15 H new ATOM 0 HE ARG A 315 12.757 -13.835 -18.931 1.00 73.04 H new ATOM 0 HH11 ARG A 315 10.339 -13.923 -21.500 1.00 75.00 H new ATOM 0 HH12 ARG A 315 11.391 -13.129 -22.676 1.00 75.00 H new ATOM 0 HH21 ARG A 315 14.103 -12.812 -20.447 1.00 64.32 H new ATOM 0 HH22 ARG A 315 13.512 -12.503 -22.083 1.00 64.32 H new ATOM 102 N GLN A 316 10.007 -17.244 -15.575 1.00 23.34 N ATOM 103 CA GLN A 316 9.060 -18.333 -15.366 1.00 35.45 C ATOM 104 C GLN A 316 8.884 -18.624 -13.879 1.00 10.41 C ATOM 105 O GLN A 316 7.784 -18.935 -13.425 1.00 32.34 O ATOM 106 CB GLN A 316 9.534 -19.595 -16.091 1.00 63.25 C ATOM 107 CG GLN A 316 9.119 -19.650 -17.552 1.00 64.52 C ATOM 108 CD GLN A 316 8.923 -21.068 -18.051 1.00 51.55 C ATOM 109 OE1 GLN A 316 9.172 -22.033 -17.327 1.00 14.50 O ATOM 110 NE2 GLN A 316 8.477 -21.203 -19.294 1.00 23.32 N ATOM 0 H GLN A 316 10.796 -17.480 -16.177 1.00 23.34 H new ATOM 0 HA GLN A 316 8.097 -18.027 -15.774 1.00 35.45 H new ATOM 0 HB2 GLN A 316 10.621 -19.653 -16.028 1.00 63.25 H new ATOM 0 HB3 GLN A 316 9.138 -20.470 -15.576 1.00 63.25 H new ATOM 0 HG2 GLN A 316 8.192 -19.091 -17.684 1.00 64.52 H new ATOM 0 HG3 GLN A 316 9.878 -19.157 -18.160 1.00 64.52 H new ATOM 0 HE21 GLN A 316 8.283 -20.376 -19.859 1.00 23.32 H new ATOM 0 HE22 GLN A 316 8.328 -22.134 -19.684 1.00 23.32 H new ATOM 119 N ALA A 317 9.974 -18.518 -13.128 1.00 21.11 N ATOM 120 CA ALA A 317 9.939 -18.767 -11.691 1.00 15.14 C ATOM 121 C ALA A 317 8.898 -17.889 -11.008 1.00 42.41 C ATOM 122 O ALA A 317 8.046 -18.382 -10.268 1.00 5.14 O ATOM 123 CB ALA A 317 11.313 -18.533 -11.082 1.00 3.40 C ATOM 0 H ALA A 317 10.893 -18.262 -13.490 1.00 21.11 H new ATOM 0 HA ALA A 317 9.657 -19.808 -11.533 1.00 15.14 H new ATOM 0 HB1 ALA A 317 11.273 -18.722 -10.009 1.00 3.40 H new ATOM 0 HB2 ALA A 317 12.035 -19.207 -11.543 1.00 3.40 H new ATOM 0 HB3 ALA A 317 11.618 -17.501 -11.257 1.00 3.40 H new ATOM 129 N ALA A 318 8.970 -16.587 -11.259 1.00 42.40 N ATOM 130 CA ALA A 318 8.032 -15.640 -10.668 1.00 0.02 C ATOM 131 C ALA A 318 7.013 -15.163 -11.697 1.00 14.33 C ATOM 132 O ALA A 318 6.852 -13.963 -11.914 1.00 55.23 O ATOM 133 CB ALA A 318 8.780 -14.456 -10.075 1.00 70.23 C ATOM 0 H ALA A 318 9.669 -16.163 -11.869 1.00 42.40 H new ATOM 0 HA ALA A 318 7.493 -16.151 -9.870 1.00 0.02 H new ATOM 0 HB1 ALA A 318 8.067 -13.757 -9.637 1.00 70.23 H new ATOM 0 HB2 ALA A 318 9.464 -14.808 -9.303 1.00 70.23 H new ATOM 0 HB3 ALA A 318 9.346 -13.953 -10.859 1.00 70.23 H new ATOM 139 N ALA A 319 6.328 -16.111 -12.329 1.00 53.35 N ATOM 140 CA ALA A 319 5.323 -15.786 -13.334 1.00 3.34 C ATOM 141 C ALA A 319 3.968 -15.515 -12.688 1.00 61.41 C ATOM 142 O ALA A 319 3.744 -15.859 -11.527 1.00 44.52 O ATOM 143 CB ALA A 319 5.210 -16.913 -14.349 1.00 4.44 C ATOM 0 H ALA A 319 6.451 -17.110 -12.163 1.00 53.35 H new ATOM 0 HA ALA A 319 5.639 -14.878 -13.848 1.00 3.34 H new ATOM 0 HB1 ALA A 319 4.456 -16.658 -15.094 1.00 4.44 H new ATOM 0 HB2 ALA A 319 6.172 -17.057 -14.841 1.00 4.44 H new ATOM 0 HB3 ALA A 319 4.921 -17.833 -13.841 1.00 4.44 H new ATOM 149 N GLN A 320 3.071 -14.895 -13.447 1.00 32.52 N ATOM 150 CA GLN A 320 1.738 -14.577 -12.947 1.00 25.01 C ATOM 151 C GLN A 320 0.698 -15.532 -13.522 1.00 1.34 C ATOM 152 O GLN A 320 -0.431 -15.135 -13.807 1.00 23.42 O ATOM 153 CB GLN A 320 1.372 -13.133 -13.295 1.00 60.54 C ATOM 154 CG GLN A 320 2.344 -12.107 -12.737 1.00 44.43 C ATOM 155 CD GLN A 320 3.481 -11.802 -13.691 1.00 43.25 C ATOM 156 OE1 GLN A 320 3.282 -11.703 -14.903 1.00 20.22 O ATOM 157 NE2 GLN A 320 4.685 -11.652 -13.150 1.00 12.20 N ATOM 0 H GLN A 320 3.242 -14.603 -14.409 1.00 32.52 H new ATOM 0 HA GLN A 320 1.747 -14.691 -11.863 1.00 25.01 H new ATOM 0 HB2 GLN A 320 1.330 -13.029 -14.379 1.00 60.54 H new ATOM 0 HB3 GLN A 320 0.373 -12.919 -12.915 1.00 60.54 H new ATOM 0 HG2 GLN A 320 1.806 -11.186 -12.513 1.00 44.43 H new ATOM 0 HG3 GLN A 320 2.753 -12.474 -11.796 1.00 44.43 H new ATOM 0 HE21 GLN A 320 4.806 -11.742 -12.141 1.00 12.20 H new ATOM 0 HE22 GLN A 320 5.489 -11.447 -13.743 1.00 12.20 H new ATOM 166 N GLU A 321 1.087 -16.792 -13.693 1.00 34.42 N ATOM 167 CA GLU A 321 0.187 -17.802 -14.237 1.00 62.42 C ATOM 168 C GLU A 321 -0.417 -18.650 -13.121 1.00 12.42 C ATOM 169 O GLU A 321 -1.579 -19.048 -13.190 1.00 62.32 O ATOM 170 CB GLU A 321 0.931 -18.699 -15.228 1.00 63.01 C ATOM 171 CG GLU A 321 2.079 -19.475 -14.604 1.00 11.44 C ATOM 172 CD GLU A 321 2.796 -20.361 -15.604 1.00 54.52 C ATOM 173 OE1 GLU A 321 3.284 -19.832 -16.624 1.00 60.31 O ATOM 174 OE2 GLU A 321 2.869 -21.585 -15.365 1.00 1.11 O1- ATOM 0 H GLU A 321 2.019 -17.137 -13.463 1.00 34.42 H new ATOM 0 HA GLU A 321 -0.621 -17.289 -14.758 1.00 62.42 H new ATOM 0 HB2 GLU A 321 0.225 -19.403 -15.669 1.00 63.01 H new ATOM 0 HB3 GLU A 321 1.318 -18.085 -16.041 1.00 63.01 H new ATOM 0 HG2 GLU A 321 2.792 -18.775 -14.168 1.00 11.44 H new ATOM 0 HG3 GLU A 321 1.697 -20.089 -13.789 1.00 11.44 H new ATOM 181 N GLU A 322 0.383 -18.921 -12.094 1.00 24.13 N ATOM 182 CA GLU A 322 -0.073 -19.723 -10.965 1.00 71.03 C ATOM 183 C GLU A 322 -1.279 -19.076 -10.289 1.00 64.23 C ATOM 184 O GLU A 322 -2.218 -19.762 -9.884 1.00 22.51 O ATOM 185 CB GLU A 322 1.058 -19.903 -9.949 1.00 55.13 C ATOM 186 CG GLU A 322 0.626 -20.610 -8.675 1.00 3.03 C ATOM 187 CD GLU A 322 1.792 -20.917 -7.755 1.00 43.13 C ATOM 188 OE1 GLU A 322 1.546 -21.200 -6.563 1.00 31.25 O ATOM 189 OE2 GLU A 322 2.947 -20.875 -8.225 1.00 51.31 O1- ATOM 0 H GLU A 322 1.348 -18.598 -12.021 1.00 24.13 H new ATOM 0 HA GLU A 322 -0.371 -20.700 -11.344 1.00 71.03 H new ATOM 0 HB2 GLU A 322 1.865 -20.470 -10.413 1.00 55.13 H new ATOM 0 HB3 GLU A 322 1.463 -18.924 -9.692 1.00 55.13 H new ATOM 0 HG2 GLU A 322 -0.096 -19.988 -8.146 1.00 3.03 H new ATOM 0 HG3 GLU A 322 0.118 -21.539 -8.934 1.00 3.03 H new ATOM 196 N ARG A 323 -1.244 -17.754 -10.172 1.00 41.31 N ATOM 197 CA ARG A 323 -2.333 -17.014 -9.544 1.00 63.14 C ATOM 198 C ARG A 323 -3.260 -16.412 -10.597 1.00 13.12 C ATOM 199 O ARG A 323 -3.040 -15.296 -11.068 1.00 35.51 O ATOM 200 CB ARG A 323 -1.775 -15.907 -8.648 1.00 33.45 C ATOM 201 CG ARG A 323 -0.924 -16.423 -7.499 1.00 33.32 C ATOM 202 CD ARG A 323 -1.782 -16.844 -6.316 1.00 72.53 C ATOM 203 NE ARG A 323 -2.193 -15.703 -5.504 1.00 14.41 N ATOM 204 CZ ARG A 323 -3.013 -15.798 -4.464 1.00 40.03 C ATOM 205 NH1 ARG A 323 -3.507 -16.977 -4.110 1.00 70.42 N1+ ATOM 206 NH2 ARG A 323 -3.340 -14.713 -3.772 1.00 30.35 N ATOM 0 H ARG A 323 -0.474 -17.172 -10.503 1.00 41.31 H new ATOM 0 HA ARG A 323 -2.908 -17.711 -8.934 1.00 63.14 H new ATOM 0 HB2 ARG A 323 -1.177 -15.227 -9.255 1.00 33.45 H new ATOM 0 HB3 ARG A 323 -2.604 -15.327 -8.243 1.00 33.45 H new ATOM 0 HG2 ARG A 323 -0.328 -17.271 -7.838 1.00 33.32 H new ATOM 0 HG3 ARG A 323 -0.225 -15.647 -7.185 1.00 33.32 H new ATOM 0 HD2 ARG A 323 -2.666 -17.368 -6.678 1.00 72.53 H new ATOM 0 HD3 ARG A 323 -1.225 -17.548 -5.697 1.00 72.53 H new ATOM 0 HE ARG A 323 -1.830 -14.782 -5.749 1.00 14.41 H new ATOM 0 HH11 ARG A 323 -3.257 -17.814 -4.637 1.00 70.42 H new ATOM 0 HH12 ARG A 323 -4.137 -17.047 -3.311 1.00 70.42 H new ATOM 0 HH21 ARG A 323 -2.961 -13.804 -4.039 1.00 30.35 H new ATOM 0 HH22 ARG A 323 -3.970 -14.788 -2.973 1.00 30.35 H new ATOM 220 N LEU A 324 -4.295 -17.161 -10.962 1.00 40.25 N ATOM 221 CA LEU A 324 -5.256 -16.703 -11.960 1.00 11.00 C ATOM 222 C LEU A 324 -5.867 -15.366 -11.553 1.00 24.44 C ATOM 223 O LEU A 324 -6.032 -14.470 -12.381 1.00 33.44 O ATOM 224 CB LEU A 324 -6.359 -17.745 -12.151 1.00 42.53 C ATOM 225 CG LEU A 324 -6.069 -18.851 -13.166 1.00 41.43 C ATOM 226 CD1 LEU A 324 -5.885 -18.263 -14.556 1.00 63.04 C ATOM 227 CD2 LEU A 324 -4.839 -19.646 -12.753 1.00 73.14 C ATOM 0 H LEU A 324 -4.490 -18.087 -10.582 1.00 40.25 H new ATOM 0 HA LEU A 324 -4.727 -16.567 -12.903 1.00 11.00 H new ATOM 0 HB2 LEU A 324 -6.563 -18.209 -11.186 1.00 42.53 H new ATOM 0 HB3 LEU A 324 -7.270 -17.229 -12.456 1.00 42.53 H new ATOM 0 HG LEU A 324 -6.922 -19.529 -13.190 1.00 41.43 H new ATOM 0 HD11 LEU A 324 -5.679 -19.064 -15.266 1.00 63.04 H new ATOM 0 HD12 LEU A 324 -6.794 -17.740 -14.853 1.00 63.04 H new ATOM 0 HD13 LEU A 324 -5.050 -17.563 -14.547 1.00 63.04 H new ATOM 0 HD21 LEU A 324 -4.648 -20.429 -13.487 1.00 73.14 H new ATOM 0 HD22 LEU A 324 -3.977 -18.981 -12.699 1.00 73.14 H new ATOM 0 HD23 LEU A 324 -5.009 -20.099 -11.776 1.00 73.14 H new ATOM 239 N ALA A 325 -6.200 -15.238 -10.273 1.00 15.43 N ATOM 240 CA ALA A 325 -6.790 -14.009 -9.755 1.00 65.11 C ATOM 241 C ALA A 325 -5.932 -12.799 -10.109 1.00 0.41 C ATOM 242 O ALA A 325 -6.452 -11.716 -10.378 1.00 10.22 O ATOM 243 CB ALA A 325 -6.975 -14.107 -8.248 1.00 22.54 C ATOM 0 H ALA A 325 -6.071 -15.971 -9.575 1.00 15.43 H new ATOM 0 HA ALA A 325 -7.767 -13.878 -10.221 1.00 65.11 H new ATOM 0 HB1 ALA A 325 -7.416 -13.183 -7.875 1.00 22.54 H new ATOM 0 HB2 ALA A 325 -7.634 -14.943 -8.016 1.00 22.54 H new ATOM 0 HB3 ALA A 325 -6.007 -14.265 -7.772 1.00 22.54 H new ATOM 249 N ASP A 326 -4.618 -12.989 -10.104 1.00 24.12 N ATOM 250 CA ASP A 326 -3.688 -11.912 -10.423 1.00 22.33 C ATOM 251 C ASP A 326 -3.692 -11.617 -11.920 1.00 35.10 C ATOM 252 O ASP A 326 -3.628 -10.459 -12.336 1.00 52.41 O ATOM 253 CB ASP A 326 -2.275 -12.277 -9.967 1.00 24.33 C ATOM 254 CG ASP A 326 -1.250 -11.230 -10.360 1.00 22.33 C ATOM 255 OD1 ASP A 326 -0.420 -11.517 -11.246 1.00 51.31 O ATOM 256 OD2 ASP A 326 -1.280 -10.124 -9.781 1.00 75.14 O1- ATOM 0 H ASP A 326 -4.172 -13.879 -9.882 1.00 24.12 H new ATOM 0 HA ASP A 326 -4.012 -11.017 -9.893 1.00 22.33 H new ATOM 0 HB2 ASP A 326 -2.267 -12.401 -8.884 1.00 24.33 H new ATOM 0 HB3 ASP A 326 -1.993 -13.237 -10.400 1.00 24.33 H new ATOM 261 N LEU A 327 -3.769 -12.671 -12.725 1.00 41.44 N ATOM 262 CA LEU A 327 -3.780 -12.526 -14.177 1.00 30.10 C ATOM 263 C LEU A 327 -5.022 -11.770 -14.638 1.00 60.31 C ATOM 264 O LEU A 327 -4.935 -10.851 -15.453 1.00 12.32 O ATOM 265 CB LEU A 327 -3.726 -13.900 -14.847 1.00 30.43 C ATOM 266 CG LEU A 327 -3.023 -13.957 -16.204 1.00 21.42 C ATOM 267 CD1 LEU A 327 -3.144 -15.347 -16.809 1.00 14.52 C ATOM 268 CD2 LEU A 327 -3.596 -12.910 -17.147 1.00 51.43 C ATOM 0 H LEU A 327 -3.825 -13.635 -12.397 1.00 41.44 H new ATOM 0 HA LEU A 327 -2.900 -11.953 -14.468 1.00 30.10 H new ATOM 0 HB2 LEU A 327 -3.224 -14.592 -14.171 1.00 30.43 H new ATOM 0 HB3 LEU A 327 -4.747 -14.261 -14.973 1.00 30.43 H new ATOM 0 HG LEU A 327 -1.966 -13.739 -16.053 1.00 21.42 H new ATOM 0 HD11 LEU A 327 -2.638 -15.369 -17.774 1.00 14.52 H new ATOM 0 HD12 LEU A 327 -2.684 -16.076 -16.141 1.00 14.52 H new ATOM 0 HD13 LEU A 327 -4.197 -15.594 -16.946 1.00 14.52 H new ATOM 0 HD21 LEU A 327 -3.083 -12.966 -18.107 1.00 51.43 H new ATOM 0 HD22 LEU A 327 -4.660 -13.095 -17.293 1.00 51.43 H new ATOM 0 HD23 LEU A 327 -3.455 -11.918 -16.718 1.00 51.43 H new ATOM 280 N ALA A 328 -6.177 -12.162 -14.110 1.00 33.40 N ATOM 281 CA ALA A 328 -7.436 -11.519 -14.465 1.00 55.41 C ATOM 282 C ALA A 328 -7.356 -10.009 -14.269 1.00 53.12 C ATOM 283 O ALA A 328 -7.938 -9.241 -15.034 1.00 53.34 O ATOM 284 CB ALA A 328 -8.576 -12.100 -13.642 1.00 50.31 C ATOM 0 H ALA A 328 -6.267 -12.922 -13.435 1.00 33.40 H new ATOM 0 HA ALA A 328 -7.629 -11.712 -15.520 1.00 55.41 H new ATOM 0 HB1 ALA A 328 -9.510 -11.610 -13.918 1.00 50.31 H new ATOM 0 HB2 ALA A 328 -8.656 -13.170 -13.835 1.00 50.31 H new ATOM 0 HB3 ALA A 328 -8.380 -11.937 -12.582 1.00 50.31 H new ATOM 290 N SER A 329 -6.631 -9.588 -13.236 1.00 4.11 N ATOM 291 CA SER A 329 -6.479 -8.169 -12.936 1.00 41.21 C ATOM 292 C SER A 329 -5.457 -7.524 -13.867 1.00 55.22 C ATOM 293 O SER A 329 -5.737 -6.512 -14.508 1.00 73.20 O ATOM 294 CB SER A 329 -6.052 -7.978 -11.479 1.00 71.41 C ATOM 295 OG SER A 329 -5.583 -6.659 -11.255 1.00 0.42 O ATOM 0 H SER A 329 -6.140 -10.210 -12.593 1.00 4.11 H new ATOM 0 HA SER A 329 -7.443 -7.684 -13.091 1.00 41.21 H new ATOM 0 HB2 SER A 329 -6.895 -8.185 -10.819 1.00 71.41 H new ATOM 0 HB3 SER A 329 -5.269 -8.694 -11.229 1.00 71.41 H new ATOM 0 HG SER A 329 -5.318 -6.561 -10.317 1.00 0.42 H new ATOM 301 N ASP A 330 -4.270 -8.118 -13.933 1.00 1.13 N ATOM 302 CA ASP A 330 -3.204 -7.602 -14.786 1.00 22.54 C ATOM 303 C ASP A 330 -3.677 -7.479 -16.232 1.00 35.21 C ATOM 304 O ASP A 330 -3.283 -6.558 -16.949 1.00 1.33 O ATOM 305 CB ASP A 330 -1.979 -8.514 -14.714 1.00 2.52 C ATOM 306 CG ASP A 330 -1.046 -8.326 -15.894 1.00 63.24 C ATOM 307 OD1 ASP A 330 -0.873 -9.285 -16.674 1.00 10.34 O ATOM 308 OD2 ASP A 330 -0.489 -7.216 -16.038 1.00 21.13 O1- ATOM 0 H ASP A 330 -4.022 -8.956 -13.407 1.00 1.13 H new ATOM 0 HA ASP A 330 -2.931 -6.610 -14.426 1.00 22.54 H new ATOM 0 HB2 ASP A 330 -1.436 -8.315 -13.790 1.00 2.52 H new ATOM 0 HB3 ASP A 330 -2.305 -9.553 -14.675 1.00 2.52 H new ATOM 313 N LEU A 331 -4.523 -8.413 -16.653 1.00 54.30 N ATOM 314 CA LEU A 331 -5.049 -8.409 -18.014 1.00 31.22 C ATOM 315 C LEU A 331 -5.630 -7.044 -18.371 1.00 31.12 C ATOM 316 O LEU A 331 -5.527 -6.592 -19.511 1.00 24.45 O ATOM 317 CB LEU A 331 -6.121 -9.489 -18.170 1.00 55.22 C ATOM 318 CG LEU A 331 -6.215 -10.147 -19.547 1.00 1.44 C ATOM 319 CD1 LEU A 331 -4.900 -10.821 -19.907 1.00 63.02 C ATOM 320 CD2 LEU A 331 -7.357 -11.152 -19.580 1.00 2.12 C ATOM 0 H LEU A 331 -4.859 -9.182 -16.073 1.00 54.30 H new ATOM 0 HA LEU A 331 -4.225 -8.621 -18.696 1.00 31.22 H new ATOM 0 HB2 LEU A 331 -5.935 -10.267 -17.430 1.00 55.22 H new ATOM 0 HB3 LEU A 331 -7.089 -9.048 -17.933 1.00 55.22 H new ATOM 0 HG LEU A 331 -6.417 -9.372 -20.286 1.00 1.44 H new ATOM 0 HD11 LEU A 331 -4.986 -11.284 -20.890 1.00 63.02 H new ATOM 0 HD12 LEU A 331 -4.103 -10.078 -19.924 1.00 63.02 H new ATOM 0 HD13 LEU A 331 -4.668 -11.585 -19.165 1.00 63.02 H new ATOM 0 HD21 LEU A 331 -7.409 -11.611 -20.567 1.00 2.12 H new ATOM 0 HD22 LEU A 331 -7.184 -11.924 -18.830 1.00 2.12 H new ATOM 0 HD23 LEU A 331 -8.297 -10.642 -19.366 1.00 2.12 H new ATOM 332 N LEU A 332 -6.238 -6.391 -17.386 1.00 45.32 N ATOM 333 CA LEU A 332 -6.834 -5.076 -17.594 1.00 41.31 C ATOM 334 C LEU A 332 -5.756 -4.018 -17.811 1.00 23.30 C ATOM 335 O LEU A 332 -5.935 -3.084 -18.595 1.00 73.01 O ATOM 336 CB LEU A 332 -7.706 -4.693 -16.397 1.00 44.32 C ATOM 337 CG LEU A 332 -8.689 -3.544 -16.623 1.00 3.04 C ATOM 338 CD1 LEU A 332 -9.795 -3.968 -17.577 1.00 42.53 C ATOM 339 CD2 LEU A 332 -9.275 -3.077 -15.299 1.00 25.34 C ATOM 0 H LEU A 332 -6.331 -6.751 -16.436 1.00 45.32 H new ATOM 0 HA LEU A 332 -7.456 -5.124 -18.488 1.00 41.31 H new ATOM 0 HB2 LEU A 332 -8.271 -5.573 -16.088 1.00 44.32 H new ATOM 0 HB3 LEU A 332 -7.052 -4.427 -15.567 1.00 44.32 H new ATOM 0 HG LEU A 332 -8.149 -2.711 -17.073 1.00 3.04 H new ATOM 0 HD11 LEU A 332 -10.485 -3.138 -17.726 1.00 42.53 H new ATOM 0 HD12 LEU A 332 -9.360 -4.254 -18.534 1.00 42.53 H new ATOM 0 HD13 LEU A 332 -10.334 -4.816 -17.155 1.00 42.53 H new ATOM 0 HD21 LEU A 332 -9.973 -2.259 -15.478 1.00 25.34 H new ATOM 0 HD22 LEU A 332 -9.801 -3.904 -14.822 1.00 25.34 H new ATOM 0 HD23 LEU A 332 -8.472 -2.733 -14.647 1.00 25.34 H new ATOM 351 N LEU A 333 -4.636 -4.171 -17.113 1.00 51.02 N ATOM 352 CA LEU A 333 -3.527 -3.230 -17.231 1.00 33.21 C ATOM 353 C LEU A 333 -2.749 -3.464 -18.521 1.00 44.42 C ATOM 354 O LEU A 333 -2.333 -2.515 -19.187 1.00 15.21 O ATOM 355 CB LEU A 333 -2.592 -3.361 -16.027 1.00 55.20 C ATOM 356 CG LEU A 333 -2.948 -2.512 -14.805 1.00 33.02 C ATOM 357 CD1 LEU A 333 -4.163 -3.086 -14.092 1.00 64.45 C ATOM 358 CD2 LEU A 333 -1.762 -2.422 -13.856 1.00 43.10 C ATOM 0 H LEU A 333 -4.472 -4.937 -16.460 1.00 51.02 H new ATOM 0 HA LEU A 333 -3.939 -2.221 -17.256 1.00 33.21 H new ATOM 0 HB2 LEU A 333 -2.568 -4.407 -15.723 1.00 55.20 H new ATOM 0 HB3 LEU A 333 -1.583 -3.099 -16.345 1.00 55.20 H new ATOM 0 HG LEU A 333 -3.194 -1.506 -15.144 1.00 33.02 H new ATOM 0 HD11 LEU A 333 -4.401 -2.469 -13.226 1.00 64.45 H new ATOM 0 HD12 LEU A 333 -5.013 -3.098 -14.774 1.00 64.45 H new ATOM 0 HD13 LEU A 333 -3.946 -4.103 -13.765 1.00 64.45 H new ATOM 0 HD21 LEU A 333 -2.032 -1.815 -12.992 1.00 43.10 H new ATOM 0 HD22 LEU A 333 -1.485 -3.423 -13.524 1.00 43.10 H new ATOM 0 HD23 LEU A 333 -0.918 -1.964 -14.371 1.00 43.10 H new ATOM 370 N GLN A 334 -2.557 -4.732 -18.870 1.00 62.44 N ATOM 371 CA GLN A 334 -1.830 -5.090 -20.081 1.00 42.14 C ATOM 372 C GLN A 334 -2.680 -4.835 -21.322 1.00 50.22 C ATOM 373 O GLN A 334 -2.167 -4.435 -22.367 1.00 43.32 O ATOM 374 CB GLN A 334 -1.406 -6.559 -20.032 1.00 21.42 C ATOM 375 CG GLN A 334 -0.220 -6.880 -20.928 1.00 53.43 C ATOM 376 CD GLN A 334 1.014 -6.075 -20.572 1.00 42.13 C ATOM 377 OE1 GLN A 334 1.101 -5.497 -19.489 1.00 71.13 O ATOM 378 NE2 GLN A 334 1.978 -6.034 -21.486 1.00 73.04 N ATOM 0 H GLN A 334 -2.895 -5.529 -18.330 1.00 62.44 H new ATOM 0 HA GLN A 334 -0.939 -4.464 -20.138 1.00 42.14 H new ATOM 0 HB2 GLN A 334 -1.156 -6.822 -19.004 1.00 21.42 H new ATOM 0 HB3 GLN A 334 -2.251 -7.182 -20.324 1.00 21.42 H new ATOM 0 HG2 GLN A 334 0.010 -7.943 -20.853 1.00 53.43 H new ATOM 0 HG3 GLN A 334 -0.490 -6.685 -21.966 1.00 53.43 H new ATOM 0 HE21 GLN A 334 1.863 -6.528 -22.371 1.00 73.04 H new ATOM 0 HE22 GLN A 334 2.833 -5.508 -21.303 1.00 73.04 H new ATOM 387 N TYR A 335 -3.982 -5.069 -21.199 1.00 23.22 N ATOM 388 CA TYR A 335 -4.903 -4.868 -22.310 1.00 61.43 C ATOM 389 C TYR A 335 -4.739 -3.474 -22.908 1.00 41.10 C ATOM 390 O TYR A 335 -4.808 -3.294 -24.124 1.00 4.15 O ATOM 391 CB TYR A 335 -6.346 -5.071 -21.847 1.00 74.31 C ATOM 392 CG TYR A 335 -7.374 -4.750 -22.909 1.00 62.15 C ATOM 393 CD1 TYR A 335 -7.416 -5.462 -24.101 1.00 54.32 C ATOM 394 CD2 TYR A 335 -8.304 -3.734 -22.720 1.00 71.42 C ATOM 395 CE1 TYR A 335 -8.352 -5.173 -25.074 1.00 41.13 C ATOM 396 CE2 TYR A 335 -9.245 -3.438 -23.687 1.00 45.33 C ATOM 397 CZ TYR A 335 -9.265 -4.159 -24.862 1.00 2.23 C ATOM 398 OH TYR A 335 -10.201 -3.869 -25.829 1.00 24.23 O ATOM 0 H TYR A 335 -4.423 -5.398 -20.340 1.00 23.22 H new ATOM 0 HA TYR A 335 -4.670 -5.603 -23.080 1.00 61.43 H new ATOM 0 HB2 TYR A 335 -6.475 -6.106 -21.530 1.00 74.31 H new ATOM 0 HB3 TYR A 335 -6.530 -4.445 -20.974 1.00 74.31 H new ATOM 0 HD1 TYR A 335 -6.704 -6.256 -24.270 1.00 54.32 H new ATOM 0 HD2 TYR A 335 -8.291 -3.166 -21.801 1.00 71.42 H new ATOM 0 HE1 TYR A 335 -8.370 -5.737 -25.995 1.00 41.13 H new ATOM 0 HE2 TYR A 335 -9.961 -2.646 -23.524 1.00 45.33 H new ATOM 0 HH TYR A 335 -10.769 -3.131 -25.524 1.00 24.23 H new ATOM 408 N LEU A 336 -4.522 -2.489 -22.043 1.00 31.22 N ATOM 409 CA LEU A 336 -4.347 -1.109 -22.483 1.00 61.42 C ATOM 410 C LEU A 336 -3.263 -1.010 -23.550 1.00 64.40 C ATOM 411 O LEU A 336 -3.424 -0.315 -24.552 1.00 54.43 O ATOM 412 CB LEU A 336 -3.992 -0.215 -21.294 1.00 65.44 C ATOM 413 CG LEU A 336 -4.440 1.243 -21.393 1.00 3.43 C ATOM 414 CD1 LEU A 336 -3.825 1.910 -22.613 1.00 1.53 C ATOM 415 CD2 LEU A 336 -5.958 1.333 -21.443 1.00 22.53 C ATOM 0 H LEU A 336 -4.463 -2.620 -21.033 1.00 31.22 H new ATOM 0 HA LEU A 336 -5.288 -0.770 -22.916 1.00 61.42 H new ATOM 0 HB2 LEU A 336 -4.431 -0.649 -20.395 1.00 65.44 H new ATOM 0 HB3 LEU A 336 -2.910 -0.234 -21.161 1.00 65.44 H new ATOM 0 HG LEU A 336 -4.094 1.769 -20.504 1.00 3.43 H new ATOM 0 HD11 LEU A 336 -4.156 2.947 -22.666 1.00 1.53 H new ATOM 0 HD12 LEU A 336 -2.738 1.879 -22.535 1.00 1.53 H new ATOM 0 HD13 LEU A 336 -4.139 1.382 -23.513 1.00 1.53 H new ATOM 0 HD21 LEU A 336 -6.258 2.378 -21.513 1.00 22.53 H new ATOM 0 HD22 LEU A 336 -6.326 0.790 -22.314 1.00 22.53 H new ATOM 0 HD23 LEU A 336 -6.378 0.895 -20.538 1.00 22.53 H new ATOM 427 N LEU A 337 -2.157 -1.715 -23.329 1.00 30.55 N ATOM 428 CA LEU A 337 -1.046 -1.709 -24.273 1.00 63.13 C ATOM 429 C LEU A 337 -1.302 -2.679 -25.422 1.00 60.51 C ATOM 430 O LEU A 337 -0.981 -2.389 -26.575 1.00 52.11 O ATOM 431 CB LEU A 337 0.256 -2.079 -23.560 1.00 5.31 C ATOM 432 CG LEU A 337 1.511 -1.339 -24.026 1.00 4.40 C ATOM 433 CD1 LEU A 337 1.620 0.014 -23.339 1.00 63.15 C ATOM 434 CD2 LEU A 337 2.753 -2.176 -23.761 1.00 15.14 C ATOM 0 H LEU A 337 -2.007 -2.297 -22.505 1.00 30.55 H new ATOM 0 HA LEU A 337 -0.956 -0.703 -24.684 1.00 63.13 H new ATOM 0 HB2 LEU A 337 0.127 -1.897 -22.493 1.00 5.31 H new ATOM 0 HB3 LEU A 337 0.423 -3.149 -23.683 1.00 5.31 H new ATOM 0 HG LEU A 337 1.433 -1.172 -25.100 1.00 4.40 H new ATOM 0 HD11 LEU A 337 2.519 0.525 -23.683 1.00 63.15 H new ATOM 0 HD12 LEU A 337 0.744 0.617 -23.581 1.00 63.15 H new ATOM 0 HD13 LEU A 337 1.675 -0.129 -22.260 1.00 63.15 H new ATOM 0 HD21 LEU A 337 3.636 -1.634 -24.099 1.00 15.14 H new ATOM 0 HD22 LEU A 337 2.836 -2.375 -22.693 1.00 15.14 H new ATOM 0 HD23 LEU A 337 2.678 -3.120 -24.301 1.00 15.14 H new ATOM 446 N GLN A 338 -1.884 -3.829 -25.101 1.00 53.11 N ATOM 447 CA GLN A 338 -2.185 -4.840 -26.107 1.00 71.02 C ATOM 448 C GLN A 338 -2.987 -4.241 -27.257 1.00 64.42 C ATOM 449 O GLN A 338 -2.811 -4.622 -28.414 1.00 25.10 O ATOM 450 CB GLN A 338 -2.961 -6.000 -25.479 1.00 53.45 C ATOM 451 CG GLN A 338 -2.102 -6.908 -24.614 1.00 41.14 C ATOM 452 CD GLN A 338 -1.396 -7.983 -25.417 1.00 54.04 C ATOM 453 OE1 GLN A 338 -0.425 -7.711 -26.122 1.00 50.15 O ATOM 454 NE2 GLN A 338 -1.885 -9.215 -25.315 1.00 13.03 N ATOM 0 H GLN A 338 -2.157 -4.084 -24.152 1.00 53.11 H new ATOM 0 HA GLN A 338 -1.241 -5.215 -26.502 1.00 71.02 H new ATOM 0 HB2 GLN A 338 -3.773 -5.598 -24.874 1.00 53.45 H new ATOM 0 HB3 GLN A 338 -3.417 -6.593 -26.272 1.00 53.45 H new ATOM 0 HG2 GLN A 338 -1.360 -6.307 -24.088 1.00 41.14 H new ATOM 0 HG3 GLN A 338 -2.727 -7.378 -23.855 1.00 41.14 H new ATOM 0 HE21 GLN A 338 -2.692 -9.395 -24.718 1.00 13.03 H new ATOM 0 HE22 GLN A 338 -1.453 -9.980 -25.833 1.00 13.03 H new ATOM 463 N GLY A 339 -3.869 -3.301 -26.932 1.00 43.23 N ATOM 464 CA GLY A 339 -4.685 -2.665 -27.949 1.00 72.43 C ATOM 465 C GLY A 339 -4.337 -1.202 -28.141 1.00 13.12 C ATOM 466 O GLY A 339 -3.275 -0.749 -27.716 1.00 23.10 O ATOM 0 H GLY A 339 -4.033 -2.969 -25.982 1.00 43.23 H new ATOM 0 HA2 GLY A 339 -4.558 -3.192 -28.894 1.00 72.43 H new ATOM 0 HA3 GLY A 339 -5.736 -2.752 -27.674 1.00 72.43 H new ATOM 470 N GLY A 340 -5.233 -0.461 -28.786 1.00 61.25 N ATOM 471 CA GLY A 340 -4.996 0.951 -29.023 1.00 62.23 C ATOM 472 C GLY A 340 -4.027 1.192 -30.163 1.00 23.32 C ATOM 473 O GLY A 340 -2.889 1.605 -29.942 1.00 43.42 O ATOM 0 H GLY A 340 -6.119 -0.813 -29.149 1.00 61.25 H new ATOM 0 HA2 GLY A 340 -5.943 1.443 -29.245 1.00 62.23 H new ATOM 0 HA3 GLY A 340 -4.604 1.408 -28.114 1.00 62.23 H new ATOM 477 N ALA A 341 -4.477 0.931 -31.386 1.00 72.40 N ATOM 478 CA ALA A 341 -3.643 1.122 -32.566 1.00 23.33 C ATOM 479 C ALA A 341 -3.855 2.507 -33.169 1.00 31.41 C ATOM 480 O ALA A 341 -2.956 3.347 -33.149 1.00 73.43 O ATOM 481 CB ALA A 341 -3.932 0.044 -33.599 1.00 13.20 C ATOM 0 H ALA A 341 -5.416 0.586 -31.585 1.00 72.40 H new ATOM 0 HA ALA A 341 -2.600 1.043 -32.259 1.00 23.33 H new ATOM 0 HB1 ALA A 341 -3.301 0.200 -34.474 1.00 13.20 H new ATOM 0 HB2 ALA A 341 -3.722 -0.936 -33.171 1.00 13.20 H new ATOM 0 HB3 ALA A 341 -4.980 0.094 -33.894 1.00 13.20 H new ATOM 487 N ARG A 342 -5.048 2.736 -33.706 1.00 52.04 N ATOM 488 CA ARG A 342 -5.377 4.018 -34.319 1.00 74.42 C ATOM 489 C ARG A 342 -5.768 5.043 -33.257 1.00 11.53 C ATOM 490 O ARG A 342 -5.243 6.155 -33.233 1.00 2.32 O ATOM 491 CB ARG A 342 -6.518 3.849 -35.324 1.00 50.21 C ATOM 492 CG ARG A 342 -6.545 4.923 -36.400 1.00 42.12 C ATOM 493 CD ARG A 342 -7.372 6.124 -35.968 1.00 1.11 C ATOM 494 NE ARG A 342 -7.456 7.136 -37.017 1.00 45.22 N ATOM 495 CZ ARG A 342 -7.821 8.394 -36.796 1.00 32.30 C ATOM 496 NH1 ARG A 342 -8.136 8.792 -35.572 1.00 3.43 N1+ ATOM 497 NH2 ARG A 342 -7.873 9.257 -37.803 1.00 52.32 N ATOM 0 H ARG A 342 -5.803 2.051 -33.729 1.00 52.04 H new ATOM 0 HA ARG A 342 -4.492 4.381 -34.842 1.00 74.42 H new ATOM 0 HB2 ARG A 342 -6.431 2.872 -35.800 1.00 50.21 H new ATOM 0 HB3 ARG A 342 -7.467 3.859 -34.788 1.00 50.21 H new ATOM 0 HG2 ARG A 342 -5.527 5.242 -36.623 1.00 42.12 H new ATOM 0 HG3 ARG A 342 -6.957 4.508 -37.320 1.00 42.12 H new ATOM 0 HD2 ARG A 342 -8.376 5.795 -35.700 1.00 1.11 H new ATOM 0 HD3 ARG A 342 -6.932 6.565 -35.074 1.00 1.11 H new ATOM 0 HE ARG A 342 -7.222 6.862 -37.971 1.00 45.22 H new ATOM 0 HH11 ARG A 342 -8.099 8.132 -34.796 1.00 3.43 H new ATOM 0 HH12 ARG A 342 -8.416 9.759 -35.406 1.00 3.43 H new ATOM 0 HH21 ARG A 342 -7.633 8.954 -38.747 1.00 52.32 H new ATOM 0 HH22 ARG A 342 -8.153 10.223 -37.633 1.00 52.32 H new ATOM 511 N GLN A 343 -6.693 4.658 -32.383 1.00 53.11 N ATOM 512 CA GLN A 343 -7.154 5.545 -31.321 1.00 5.21 C ATOM 513 C GLN A 343 -5.978 6.078 -30.509 1.00 73.33 C ATOM 514 O GLN A 343 -4.849 5.612 -30.653 1.00 64.43 O ATOM 515 CB GLN A 343 -8.131 4.809 -30.402 1.00 74.11 C ATOM 516 CG GLN A 343 -7.508 3.632 -29.669 1.00 34.45 C ATOM 517 CD GLN A 343 -8.543 2.734 -29.021 1.00 31.21 C ATOM 518 OE1 GLN A 343 -8.857 1.659 -29.534 1.00 61.21 O ATOM 519 NE2 GLN A 343 -9.081 3.171 -27.889 1.00 51.21 N ATOM 0 H GLN A 343 -7.137 3.740 -32.389 1.00 53.11 H new ATOM 0 HA GLN A 343 -7.666 6.389 -31.783 1.00 5.21 H new ATOM 0 HB2 GLN A 343 -8.529 5.512 -29.671 1.00 74.11 H new ATOM 0 HB3 GLN A 343 -8.975 4.453 -30.993 1.00 74.11 H new ATOM 0 HG2 GLN A 343 -6.912 3.047 -30.370 1.00 34.45 H new ATOM 0 HG3 GLN A 343 -6.826 4.005 -28.905 1.00 34.45 H new ATOM 0 HE21 GLN A 343 -8.791 4.068 -27.500 1.00 51.21 H new ATOM 0 HE22 GLN A 343 -9.784 2.610 -27.409 1.00 51.21 H new ATOM 528 N ARG A 344 -6.253 7.059 -29.655 1.00 35.52 N ATOM 529 CA ARG A 344 -5.217 7.658 -28.821 1.00 55.14 C ATOM 530 C ARG A 344 -4.446 6.584 -28.057 1.00 14.51 C ATOM 531 O ARG A 344 -4.964 5.499 -27.800 1.00 43.14 O ATOM 532 CB ARG A 344 -5.837 8.652 -27.837 1.00 21.21 C ATOM 533 CG ARG A 344 -6.783 8.010 -26.837 1.00 63.21 C ATOM 534 CD ARG A 344 -7.710 9.039 -26.207 1.00 4.24 C ATOM 535 NE ARG A 344 -8.415 8.502 -25.047 1.00 12.12 N ATOM 536 CZ ARG A 344 -9.292 9.200 -24.332 1.00 21.23 C ATOM 537 NH1 ARG A 344 -9.567 10.455 -24.657 1.00 53.32 N1+ ATOM 538 NH2 ARG A 344 -9.893 8.641 -23.289 1.00 5.33 N ATOM 0 H ARG A 344 -7.183 7.456 -29.522 1.00 35.52 H new ATOM 0 HA ARG A 344 -4.521 8.187 -29.472 1.00 55.14 H new ATOM 0 HB2 ARG A 344 -5.039 9.159 -27.295 1.00 21.21 H new ATOM 0 HB3 ARG A 344 -6.377 9.415 -28.397 1.00 21.21 H new ATOM 0 HG2 ARG A 344 -7.375 7.242 -27.335 1.00 63.21 H new ATOM 0 HG3 ARG A 344 -6.207 7.512 -26.057 1.00 63.21 H new ATOM 0 HD2 ARG A 344 -7.131 9.913 -25.907 1.00 4.24 H new ATOM 0 HD3 ARG A 344 -8.435 9.376 -26.948 1.00 4.24 H new ATOM 0 HE ARG A 344 -8.224 7.539 -24.770 1.00 12.12 H new ATOM 0 HH11 ARG A 344 -9.105 10.887 -25.457 1.00 53.32 H new ATOM 0 HH12 ARG A 344 -10.240 10.988 -24.107 1.00 53.32 H new ATOM 0 HH21 ARG A 344 -9.682 7.676 -23.036 1.00 5.33 H new ATOM 0 HH22 ARG A 344 -10.566 9.177 -22.741 1.00 5.33 H new ATOM 552 N GLY A 345 -3.205 6.897 -27.698 1.00 61.05 N ATOM 553 CA GLY A 345 -2.383 5.950 -26.969 1.00 51.21 C ATOM 554 C GLY A 345 -0.950 6.423 -26.816 1.00 12.50 C ATOM 555 O GLY A 345 -0.573 7.467 -27.350 1.00 70.54 O ATOM 0 H GLY A 345 -2.754 7.790 -27.899 1.00 61.05 H new ATOM 0 HA2 GLY A 345 -2.815 5.783 -25.982 1.00 51.21 H new ATOM 0 HA3 GLY A 345 -2.392 4.991 -27.487 1.00 51.21 H new ATOM 559 N LEU A 346 -0.151 5.655 -26.083 1.00 63.53 N ATOM 560 CA LEU A 346 1.248 6.002 -25.859 1.00 5.11 C ATOM 561 C LEU A 346 2.151 5.309 -26.875 1.00 62.10 C ATOM 562 O LEU A 346 3.085 5.910 -27.404 1.00 11.12 O ATOM 563 CB LEU A 346 1.668 5.617 -24.440 1.00 50.14 C ATOM 564 CG LEU A 346 3.029 6.141 -23.977 1.00 22.30 C ATOM 565 CD1 LEU A 346 3.018 7.660 -23.902 1.00 44.11 C ATOM 566 CD2 LEU A 346 3.400 5.541 -22.629 1.00 31.42 C ATOM 0 H LEU A 346 -0.448 4.789 -25.634 1.00 63.53 H new ATOM 0 HA LEU A 346 1.354 7.080 -25.983 1.00 5.11 H new ATOM 0 HB2 LEU A 346 0.908 5.977 -23.747 1.00 50.14 H new ATOM 0 HB3 LEU A 346 1.676 4.529 -24.367 1.00 50.14 H new ATOM 0 HG LEU A 346 3.781 5.839 -24.706 1.00 22.30 H new ATOM 0 HD11 LEU A 346 3.994 8.015 -23.571 1.00 44.11 H new ATOM 0 HD12 LEU A 346 2.797 8.071 -24.887 1.00 44.11 H new ATOM 0 HD13 LEU A 346 2.255 7.984 -23.194 1.00 44.11 H new ATOM 0 HD21 LEU A 346 4.371 5.924 -22.315 1.00 31.42 H new ATOM 0 HD22 LEU A 346 2.646 5.812 -21.890 1.00 31.42 H new ATOM 0 HD23 LEU A 346 3.449 4.456 -22.715 1.00 31.42 H new ATOM 578 N GLY A 347 1.863 4.039 -27.145 1.00 33.12 N ATOM 579 CA GLY A 347 2.656 3.285 -28.098 1.00 62.14 C ATOM 580 C GLY A 347 2.406 3.717 -29.530 1.00 62.31 C ATOM 581 O GLY A 347 1.828 4.776 -29.774 1.00 13.32 O ATOM 0 H GLY A 347 1.095 3.519 -26.721 1.00 33.12 H new ATOM 0 HA2 GLY A 347 3.713 3.408 -27.864 1.00 62.14 H new ATOM 0 HA3 GLY A 347 2.428 2.224 -27.997 1.00 62.14 H new TER 585 GLY A 347