USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 422 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 7 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 11 GLN : amide:sc= -0.0242 X(o=-0.024,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -87:sc= 0.716 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.0479 K(o=-0.048,f=-2.2!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -1.64 K(o=-1.6,f=-2.2) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN : amide:sc= -0.382 X(o=-0.38,f=-0.036) USER MOD Single : B 12 THR OG1 : rot 38:sc= 1.07 USER MOD Single : B 13 HIS : no HD1:sc= -0.791 X(o=-0.79,f=-0.47) USER MOD Single : B 14 GLN : amide:sc= -0.0178 K(o=-0.018,f=-1.2!) USER MOD Single : B 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.032) USER MOD Single : B 24 ASN : amide:sc= -2.75 K(o=-2.7,f=-8!) USER MOD Single : B 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 30 GLN : amide:sc= -0.263 X(o=-0.26,f=-0.032) USER MOD ----------------------------------------------------------------- ATOM 47 N GLN A 7 5.184 17.910 1.304 1.00 0.00 N ATOM 48 CA GLN A 7 6.205 17.036 0.729 1.00 0.00 C ATOM 49 C GLN A 7 6.667 16.001 1.751 1.00 0.00 C ATOM 50 O GLN A 7 6.837 14.824 1.433 1.00 0.00 O ATOM 51 CB GLN A 7 7.412 17.853 0.269 1.00 0.00 C ATOM 52 CG GLN A 7 7.100 18.512 -1.076 1.00 0.00 C ATOM 53 CD GLN A 7 8.359 19.182 -1.619 1.00 0.00 C ATOM 54 OE1 GLN A 7 9.423 18.564 -1.678 1.00 0.00 O ATOM 55 NE2 GLN A 7 8.301 20.421 -2.023 1.00 0.00 N ATOM 0 HA GLN A 7 5.763 16.526 -0.127 1.00 0.00 H new ATOM 0 HB2 GLN A 7 7.654 18.614 1.011 1.00 0.00 H new ATOM 0 HB3 GLN A 7 8.286 17.209 0.176 1.00 0.00 H new ATOM 0 HG2 GLN A 7 6.738 17.766 -1.783 1.00 0.00 H new ATOM 0 HG3 GLN A 7 6.306 19.249 -0.956 1.00 0.00 H new ATOM 0 HE21 GLN A 7 7.420 20.933 -1.974 1.00 0.00 H new ATOM 0 HE22 GLN A 7 9.137 20.878 -2.388 1.00 0.00 H new ATOM 64 N ALA A 8 6.863 16.452 2.987 1.00 0.00 N ATOM 65 CA ALA A 8 7.300 15.557 4.053 1.00 0.00 C ATOM 66 C ALA A 8 6.214 14.531 4.356 1.00 0.00 C ATOM 67 O ALA A 8 6.484 13.334 4.472 1.00 0.00 O ATOM 68 CB ALA A 8 7.609 16.348 5.326 1.00 0.00 C ATOM 0 H ALA A 8 6.728 17.422 3.273 1.00 0.00 H new ATOM 0 HA ALA A 8 8.203 15.047 3.718 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.933 15.664 6.110 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.401 17.069 5.123 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.713 16.876 5.653 1.00 0.00 H new ATOM 74 N GLU A 9 4.982 15.014 4.481 1.00 0.00 N ATOM 75 CA GLU A 9 3.854 14.132 4.767 1.00 0.00 C ATOM 76 C GLU A 9 3.621 13.175 3.604 1.00 0.00 C ATOM 77 O GLU A 9 3.298 12.003 3.799 1.00 0.00 O ATOM 78 CB GLU A 9 2.582 14.950 5.003 1.00 0.00 C ATOM 79 CG GLU A 9 2.675 15.662 6.353 1.00 0.00 C ATOM 80 CD GLU A 9 1.351 16.356 6.655 1.00 0.00 C ATOM 81 OE1 GLU A 9 0.320 15.785 6.337 1.00 0.00 O ATOM 82 OE2 GLU A 9 1.388 17.447 7.200 1.00 0.00 O ATOM 0 H GLU A 9 4.740 16.001 4.390 1.00 0.00 H new ATOM 0 HA GLU A 9 4.090 13.562 5.666 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.453 15.680 4.204 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.709 14.298 4.984 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.909 14.944 7.139 1.00 0.00 H new ATOM 0 HG3 GLU A 9 3.485 16.392 6.336 1.00 0.00 H new ATOM 89 N GLU A 10 3.792 13.689 2.388 1.00 0.00 N ATOM 90 CA GLU A 10 3.600 12.871 1.193 1.00 0.00 C ATOM 91 C GLU A 10 4.724 11.850 1.065 1.00 0.00 C ATOM 92 O GLU A 10 4.519 10.738 0.581 1.00 0.00 O ATOM 93 CB GLU A 10 3.579 13.750 -0.059 1.00 0.00 C ATOM 94 CG GLU A 10 2.661 13.121 -1.109 1.00 0.00 C ATOM 95 CD GLU A 10 2.478 14.089 -2.272 1.00 0.00 C ATOM 96 OE1 GLU A 10 1.931 15.158 -2.047 1.00 0.00 O ATOM 97 OE2 GLU A 10 2.886 13.750 -3.370 1.00 0.00 O ATOM 0 H GLU A 10 4.060 14.656 2.205 1.00 0.00 H new ATOM 0 HA GLU A 10 2.646 12.353 1.287 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.229 14.751 0.193 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.587 13.856 -0.459 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.088 12.184 -1.466 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.694 12.882 -0.666 1.00 0.00 H new ATOM 104 N GLN A 11 5.916 12.239 1.509 1.00 0.00 N ATOM 105 CA GLN A 11 7.072 11.349 1.444 1.00 0.00 C ATOM 106 C GLN A 11 6.823 10.090 2.272 1.00 0.00 C ATOM 107 O GLN A 11 7.303 9.006 1.942 1.00 0.00 O ATOM 108 CB GLN A 11 8.323 12.054 1.973 1.00 0.00 C ATOM 109 CG GLN A 11 9.050 12.742 0.815 1.00 0.00 C ATOM 110 CD GLN A 11 10.457 13.131 1.258 1.00 0.00 C ATOM 111 OE1 GLN A 11 10.786 14.315 1.329 1.00 0.00 O ATOM 112 NE2 GLN A 11 11.314 12.194 1.563 1.00 0.00 N ATOM 0 H GLN A 11 6.106 13.156 1.914 1.00 0.00 H new ATOM 0 HA GLN A 11 7.225 11.074 0.401 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.047 12.788 2.730 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.984 11.333 2.454 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.099 12.075 -0.045 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.498 13.628 0.500 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.040 11.213 1.504 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.257 12.443 1.861 1.00 0.00 H new ATOM 121 N LYS A 12 6.066 10.249 3.355 1.00 0.00 N ATOM 122 CA LYS A 12 5.755 9.120 4.228 1.00 0.00 C ATOM 123 C LYS A 12 4.596 8.309 3.658 1.00 0.00 C ATOM 124 O LYS A 12 4.530 7.091 3.826 1.00 0.00 O ATOM 125 CB LYS A 12 5.378 9.614 5.627 1.00 0.00 C ATOM 126 CG LYS A 12 6.554 10.384 6.230 1.00 0.00 C ATOM 127 CD LYS A 12 7.522 9.404 6.892 1.00 0.00 C ATOM 128 CE LYS A 12 8.231 10.093 8.059 1.00 0.00 C ATOM 129 NZ LYS A 12 7.397 9.972 9.288 1.00 0.00 N ATOM 0 H LYS A 12 5.660 11.138 3.647 1.00 0.00 H new ATOM 0 HA LYS A 12 6.642 8.490 4.292 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.499 10.256 5.573 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.117 8.769 6.265 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.068 10.950 5.453 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.192 11.105 6.963 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.981 8.527 7.248 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.254 9.053 6.165 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.208 9.639 8.224 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.403 11.144 7.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.879 10.440 10.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.474 10.424 9.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.255 8.967 9.514 1.00 0.00 H new ATOM 143 N LEU A 13 3.681 8.997 2.979 1.00 0.00 N ATOM 144 CA LEU A 13 2.525 8.331 2.388 1.00 0.00 C ATOM 145 C LEU A 13 2.941 7.537 1.153 1.00 0.00 C ATOM 146 O LEU A 13 2.581 6.369 0.998 1.00 0.00 O ATOM 147 CB LEU A 13 1.463 9.357 1.985 1.00 0.00 C ATOM 148 CG LEU A 13 0.600 9.702 3.200 1.00 0.00 C ATOM 149 CD1 LEU A 13 0.018 11.106 3.032 1.00 0.00 C ATOM 150 CD2 LEU A 13 -0.542 8.690 3.317 1.00 0.00 C ATOM 0 H LEU A 13 3.717 10.005 2.826 1.00 0.00 H new ATOM 0 HA LEU A 13 2.110 7.653 3.134 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.940 10.257 1.597 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.840 8.957 1.185 1.00 0.00 H new ATOM 0 HG LEU A 13 1.213 9.668 4.101 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.597 11.351 3.898 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.830 11.829 2.947 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.594 11.141 2.131 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.158 8.935 4.182 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.153 8.725 2.415 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.130 7.688 3.437 1.00 0.00 H new ATOM 162 N ILE A 14 3.701 8.184 0.275 1.00 0.00 N ATOM 163 CA ILE A 14 4.165 7.532 -0.946 1.00 0.00 C ATOM 164 C ILE A 14 5.061 6.345 -0.603 1.00 0.00 C ATOM 165 O ILE A 14 4.856 5.232 -1.091 1.00 0.00 O ATOM 166 CB ILE A 14 4.945 8.522 -1.821 1.00 0.00 C ATOM 167 CG1 ILE A 14 4.053 9.723 -2.146 1.00 0.00 C ATOM 168 CG2 ILE A 14 5.373 7.845 -3.127 1.00 0.00 C ATOM 169 CD1 ILE A 14 4.924 10.903 -2.583 1.00 0.00 C ATOM 0 H ILE A 14 4.007 9.151 0.384 1.00 0.00 H new ATOM 0 HA ILE A 14 3.293 7.180 -1.497 1.00 0.00 H new ATOM 0 HB ILE A 14 5.832 8.853 -1.281 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.350 9.464 -2.938 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.462 9.998 -1.272 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.926 8.556 -3.741 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.009 6.989 -2.902 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.489 7.508 -3.669 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.289 11.758 -2.814 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.609 11.167 -1.778 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.495 10.625 -3.469 1.00 0.00 H new ATOM 181 N SER A 15 6.063 6.595 0.236 1.00 0.00 N ATOM 182 CA SER A 15 6.994 5.542 0.635 1.00 0.00 C ATOM 183 C SER A 15 6.250 4.394 1.315 1.00 0.00 C ATOM 184 O SER A 15 6.642 3.233 1.207 1.00 0.00 O ATOM 185 CB SER A 15 8.045 6.092 1.597 1.00 0.00 C ATOM 186 OG SER A 15 7.416 6.466 2.816 1.00 0.00 O ATOM 0 H SER A 15 6.251 7.508 0.650 1.00 0.00 H new ATOM 0 HA SER A 15 7.484 5.172 -0.266 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.811 5.340 1.786 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.546 6.953 1.154 1.00 0.00 H new ATOM 0 HG SER A 15 7.086 7.386 2.745 1.00 0.00 H new ATOM 192 N GLU A 16 5.170 4.735 2.012 1.00 0.00 N ATOM 193 CA GLU A 16 4.373 3.726 2.704 1.00 0.00 C ATOM 194 C GLU A 16 3.597 2.883 1.699 1.00 0.00 C ATOM 195 O GLU A 16 3.564 1.655 1.790 1.00 0.00 O ATOM 196 CB GLU A 16 3.386 4.391 3.667 1.00 0.00 C ATOM 197 CG GLU A 16 4.070 4.631 5.014 1.00 0.00 C ATOM 198 CD GLU A 16 4.104 3.329 5.806 1.00 0.00 C ATOM 199 OE1 GLU A 16 3.162 3.083 6.544 1.00 0.00 O ATOM 200 OE2 GLU A 16 5.069 2.597 5.665 1.00 0.00 O ATOM 0 H GLU A 16 4.829 5.691 2.113 1.00 0.00 H new ATOM 0 HA GLU A 16 5.052 3.087 3.268 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.037 5.336 3.251 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.509 3.758 3.800 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.083 5.001 4.858 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.534 5.396 5.575 1.00 0.00 H new ATOM 207 N GLU A 17 2.973 3.557 0.737 1.00 0.00 N ATOM 208 CA GLU A 17 2.198 2.862 -0.287 1.00 0.00 C ATOM 209 C GLU A 17 3.119 2.043 -1.187 1.00 0.00 C ATOM 210 O GLU A 17 2.773 0.945 -1.620 1.00 0.00 O ATOM 211 CB GLU A 17 1.423 3.865 -1.145 1.00 0.00 C ATOM 212 CG GLU A 17 0.459 3.114 -2.064 1.00 0.00 C ATOM 213 CD GLU A 17 0.016 4.033 -3.198 1.00 0.00 C ATOM 214 OE1 GLU A 17 -0.332 5.167 -2.913 1.00 0.00 O ATOM 215 OE2 GLU A 17 0.033 3.590 -4.335 1.00 0.00 O ATOM 0 H GLU A 17 2.988 4.573 0.645 1.00 0.00 H new ATOM 0 HA GLU A 17 1.496 2.197 0.215 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.871 4.555 -0.507 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.115 4.464 -1.738 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.944 2.226 -2.470 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.408 2.773 -1.498 1.00 0.00 H new ATOM 222 N ASP A 18 4.299 2.594 -1.461 1.00 0.00 N ATOM 223 CA ASP A 18 5.271 1.909 -2.310 1.00 0.00 C ATOM 224 C ASP A 18 5.695 0.590 -1.674 1.00 0.00 C ATOM 225 O ASP A 18 5.920 -0.405 -2.363 1.00 0.00 O ATOM 226 CB ASP A 18 6.508 2.783 -2.521 1.00 0.00 C ATOM 227 CG ASP A 18 7.300 2.264 -3.715 1.00 0.00 C ATOM 228 OD1 ASP A 18 7.693 1.108 -3.684 1.00 0.00 O ATOM 229 OD2 ASP A 18 7.504 3.029 -4.644 1.00 0.00 O ATOM 0 H ASP A 18 4.603 3.503 -1.112 1.00 0.00 H new ATOM 0 HA ASP A 18 4.799 1.713 -3.273 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.210 3.818 -2.691 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.130 2.773 -1.626 1.00 0.00 H new ATOM 234 N LEU A 19 5.802 0.593 -0.348 1.00 0.00 N ATOM 235 CA LEU A 19 6.200 -0.609 0.378 1.00 0.00 C ATOM 236 C LEU A 19 5.124 -1.683 0.253 1.00 0.00 C ATOM 237 O LEU A 19 5.423 -2.875 0.168 1.00 0.00 O ATOM 238 CB LEU A 19 6.421 -0.294 1.858 1.00 0.00 C ATOM 239 CG LEU A 19 7.418 -1.292 2.450 1.00 0.00 C ATOM 240 CD1 LEU A 19 8.134 -0.653 3.641 1.00 0.00 C ATOM 241 CD2 LEU A 19 6.671 -2.542 2.916 1.00 0.00 C ATOM 0 H LEU A 19 5.621 1.406 0.241 1.00 0.00 H new ATOM 0 HA LEU A 19 7.131 -0.973 -0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.797 0.723 1.972 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.475 -0.346 2.397 1.00 0.00 H new ATOM 0 HG LEU A 19 8.150 -1.567 1.691 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.844 -1.364 4.063 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.666 0.239 3.310 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.402 -0.377 4.400 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.381 -3.254 3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.939 -2.266 3.675 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.161 -2.998 2.068 1.00 0.00 H new ATOM 253 N LEU A 20 3.868 -1.246 0.242 1.00 0.00 N ATOM 254 CA LEU A 20 2.749 -2.177 0.124 1.00 0.00 C ATOM 255 C LEU A 20 2.665 -2.731 -1.294 1.00 0.00 C ATOM 256 O LEU A 20 2.258 -3.874 -1.506 1.00 0.00 O ATOM 257 CB LEU A 20 1.433 -1.476 0.465 1.00 0.00 C ATOM 258 CG LEU A 20 1.155 -1.609 1.964 1.00 0.00 C ATOM 259 CD1 LEU A 20 0.156 -0.535 2.396 1.00 0.00 C ATOM 260 CD2 LEU A 20 0.571 -2.994 2.251 1.00 0.00 C ATOM 0 H LEU A 20 3.601 -0.264 0.312 1.00 0.00 H new ATOM 0 HA LEU A 20 2.916 -2.996 0.824 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.487 -0.424 0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.616 -1.916 -0.107 1.00 0.00 H new ATOM 0 HG LEU A 20 2.085 -1.483 2.519 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.042 -0.630 3.464 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.571 0.452 2.190 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.775 -0.660 1.842 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.372 -3.091 3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.359 -3.119 1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.283 -3.760 1.944 1.00 0.00 H new ATOM 272 N ARG A 21 3.056 -1.908 -2.263 1.00 0.00 N ATOM 273 CA ARG A 21 3.022 -2.324 -3.663 1.00 0.00 C ATOM 274 C ARG A 21 3.944 -3.520 -3.887 1.00 0.00 C ATOM 275 O ARG A 21 3.588 -4.476 -4.574 1.00 0.00 O ATOM 276 CB ARG A 21 3.464 -1.177 -4.574 1.00 0.00 C ATOM 277 CG ARG A 21 2.328 -0.160 -4.703 1.00 0.00 C ATOM 278 CD ARG A 21 2.518 0.658 -5.980 1.00 0.00 C ATOM 279 NE ARG A 21 1.862 1.962 -5.862 1.00 0.00 N ATOM 280 CZ ARG A 21 1.665 2.760 -6.921 1.00 0.00 C ATOM 281 NH1 ARG A 21 2.057 2.406 -8.122 1.00 0.00 N ATOM 282 NH2 ARG A 21 1.075 3.912 -6.755 1.00 0.00 N ATOM 0 H ARG A 21 3.397 -0.959 -2.108 1.00 0.00 H new ATOM 0 HA ARG A 21 1.997 -2.605 -3.905 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.352 -0.696 -4.165 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.734 -1.563 -5.557 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.367 -0.674 -4.727 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.315 0.499 -3.835 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.582 0.797 -6.174 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.107 0.114 -6.831 1.00 0.00 H new ATOM 0 HE ARG A 21 1.545 2.273 -4.944 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.521 1.509 -8.263 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.897 3.028 -8.915 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.768 4.199 -5.825 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.921 4.526 -7.555 1.00 0.00 H new ATOM 296 N LYS A 22 5.134 -3.451 -3.296 1.00 0.00 N ATOM 297 CA LYS A 22 6.105 -4.535 -3.435 1.00 0.00 C ATOM 298 C LYS A 22 5.610 -5.784 -2.714 1.00 0.00 C ATOM 299 O LYS A 22 5.861 -6.909 -3.146 1.00 0.00 O ATOM 300 CB LYS A 22 7.456 -4.121 -2.847 1.00 0.00 C ATOM 301 CG LYS A 22 8.045 -2.979 -3.676 1.00 0.00 C ATOM 302 CD LYS A 22 9.573 -3.029 -3.603 1.00 0.00 C ATOM 303 CE LYS A 22 10.134 -1.609 -3.673 1.00 0.00 C ATOM 304 NZ LYS A 22 11.427 -1.548 -2.934 1.00 0.00 N ATOM 0 H LYS A 22 5.447 -2.667 -2.723 1.00 0.00 H new ATOM 0 HA LYS A 22 6.223 -4.750 -4.497 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.332 -3.806 -1.811 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.138 -4.971 -2.843 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.717 -3.061 -4.712 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.684 -2.021 -3.303 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.888 -3.510 -2.677 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.967 -3.628 -4.424 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.283 -1.316 -4.712 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.423 -0.904 -3.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.809 -0.582 -2.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.271 -1.810 -1.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.104 -2.209 -3.364 1.00 0.00 H new ATOM 318 N ARG A 23 4.904 -5.572 -1.607 1.00 0.00 N ATOM 319 CA ARG A 23 4.374 -6.686 -0.828 1.00 0.00 C ATOM 320 C ARG A 23 3.263 -7.393 -1.598 1.00 0.00 C ATOM 321 O ARG A 23 3.096 -8.608 -1.502 1.00 0.00 O ATOM 322 CB ARG A 23 3.815 -6.189 0.508 1.00 0.00 C ATOM 323 CG ARG A 23 3.822 -7.334 1.523 1.00 0.00 C ATOM 324 CD ARG A 23 2.596 -8.224 1.304 1.00 0.00 C ATOM 325 NE ARG A 23 2.073 -8.706 2.583 1.00 0.00 N ATOM 326 CZ ARG A 23 2.747 -9.580 3.346 1.00 0.00 C ATOM 327 NH1 ARG A 23 3.915 -10.047 2.974 1.00 0.00 N ATOM 328 NH2 ARG A 23 2.231 -9.973 4.478 1.00 0.00 N ATOM 0 H ARG A 23 4.687 -4.648 -1.232 1.00 0.00 H new ATOM 0 HA ARG A 23 5.190 -7.384 -0.642 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.415 -5.357 0.878 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.800 -5.815 0.373 1.00 0.00 H new ATOM 0 HG2 ARG A 23 4.734 -7.922 1.417 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.817 -6.934 2.537 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.823 -7.664 0.777 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.863 -9.071 0.672 1.00 0.00 H new ATOM 0 HE ARG A 23 1.167 -8.366 2.905 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.327 -9.746 2.091 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.412 -10.711 3.568 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.323 -9.616 4.776 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.736 -10.637 5.065 1.00 0.00 H new ATOM 342 N ARG A 24 2.504 -6.613 -2.366 1.00 0.00 N ATOM 343 CA ARG A 24 1.408 -7.170 -3.153 1.00 0.00 C ATOM 344 C ARG A 24 1.953 -8.030 -4.287 1.00 0.00 C ATOM 345 O ARG A 24 1.426 -9.104 -4.581 1.00 0.00 O ATOM 346 CB ARG A 24 0.550 -6.049 -3.743 1.00 0.00 C ATOM 347 CG ARG A 24 -0.739 -6.641 -4.316 1.00 0.00 C ATOM 348 CD ARG A 24 -1.599 -5.519 -4.903 1.00 0.00 C ATOM 349 NE ARG A 24 -2.553 -6.054 -5.876 1.00 0.00 N ATOM 350 CZ ARG A 24 -2.173 -6.464 -7.097 1.00 0.00 C ATOM 351 NH1 ARG A 24 -0.919 -6.404 -7.474 1.00 0.00 N ATOM 352 NH2 ARG A 24 -3.069 -6.931 -7.922 1.00 0.00 N ATOM 0 H ARG A 24 2.626 -5.605 -2.459 1.00 0.00 H new ATOM 0 HA ARG A 24 0.796 -7.785 -2.493 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.314 -5.314 -2.974 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.102 -5.527 -4.525 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.504 -7.375 -5.087 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.290 -7.165 -3.535 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.135 -5.009 -4.103 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.960 -4.777 -5.382 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.538 -6.117 -5.618 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.211 -6.041 -6.835 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.651 -6.721 -8.406 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.047 -6.982 -7.637 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.792 -7.245 -8.852 1.00 0.00 H new ATOM 366 N GLU A 25 3.015 -7.545 -4.924 1.00 0.00 N ATOM 367 CA GLU A 25 3.629 -8.275 -6.029 1.00 0.00 C ATOM 368 C GLU A 25 4.261 -9.569 -5.526 1.00 0.00 C ATOM 369 O GLU A 25 4.249 -10.592 -6.209 1.00 0.00 O ATOM 370 CB GLU A 25 4.705 -7.423 -6.705 1.00 0.00 C ATOM 371 CG GLU A 25 4.811 -7.809 -8.180 1.00 0.00 C ATOM 372 CD GLU A 25 5.921 -6.998 -8.839 1.00 0.00 C ATOM 373 OE1 GLU A 25 5.651 -5.876 -9.238 1.00 0.00 O ATOM 374 OE2 GLU A 25 7.023 -7.508 -8.937 1.00 0.00 O ATOM 0 H GLU A 25 3.465 -6.658 -4.697 1.00 0.00 H new ATOM 0 HA GLU A 25 2.848 -8.509 -6.752 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.458 -6.365 -6.612 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.665 -7.571 -6.210 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.020 -8.875 -8.274 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.863 -7.624 -8.684 1.00 0.00 H new ATOM 381 N GLN A 26 4.817 -9.510 -4.319 1.00 0.00 N ATOM 382 CA GLN A 26 5.456 -10.681 -3.726 1.00 0.00 C ATOM 383 C GLN A 26 4.415 -11.746 -3.399 1.00 0.00 C ATOM 384 O GLN A 26 4.667 -12.944 -3.531 1.00 0.00 O ATOM 385 CB GLN A 26 6.195 -10.297 -2.443 1.00 0.00 C ATOM 386 CG GLN A 26 7.247 -11.361 -2.120 1.00 0.00 C ATOM 387 CD GLN A 26 8.562 -11.000 -2.799 1.00 0.00 C ATOM 388 OE1 GLN A 26 8.619 -10.851 -4.019 1.00 0.00 O ATOM 389 NE2 GLN A 26 9.637 -10.847 -2.073 1.00 0.00 N ATOM 0 H GLN A 26 4.838 -8.673 -3.737 1.00 0.00 H new ATOM 0 HA GLN A 26 6.168 -11.078 -4.449 1.00 0.00 H new ATOM 0 HB2 GLN A 26 6.672 -9.324 -2.563 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.489 -10.206 -1.618 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.390 -11.431 -1.042 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.907 -12.339 -2.460 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.591 -10.970 -1.062 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.522 -10.604 -2.518 1.00 0.00 H new ATOM 398 N LEU A 27 3.238 -11.295 -2.971 1.00 0.00 N ATOM 399 CA LEU A 27 2.160 -12.217 -2.626 1.00 0.00 C ATOM 400 C LEU A 27 1.709 -12.994 -3.857 1.00 0.00 C ATOM 401 O LEU A 27 1.499 -14.206 -3.803 1.00 0.00 O ATOM 402 CB LEU A 27 0.964 -11.454 -2.053 1.00 0.00 C ATOM 403 CG LEU A 27 1.273 -11.021 -0.619 1.00 0.00 C ATOM 404 CD1 LEU A 27 0.172 -10.084 -0.119 1.00 0.00 C ATOM 405 CD2 LEU A 27 1.337 -12.257 0.281 1.00 0.00 C ATOM 0 H LEU A 27 3.008 -10.308 -2.856 1.00 0.00 H new ATOM 0 HA LEU A 27 2.540 -12.911 -1.877 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.747 -10.581 -2.669 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.075 -12.085 -2.070 1.00 0.00 H new ATOM 0 HG LEU A 27 2.230 -10.501 -0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.393 -9.776 0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.124 -9.204 -0.761 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.786 -10.603 -0.142 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.557 -11.951 1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.379 -12.776 0.256 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.121 -12.926 -0.074 1.00 0.00 H new ATOM 417 N LYS A 28 1.563 -12.281 -4.971 1.00 0.00 N ATOM 418 CA LYS A 28 1.137 -12.912 -6.218 1.00 0.00 C ATOM 419 C LYS A 28 2.197 -13.892 -6.709 1.00 0.00 C ATOM 420 O LYS A 28 1.883 -14.932 -7.286 1.00 0.00 O ATOM 421 CB LYS A 28 0.896 -11.855 -7.298 1.00 0.00 C ATOM 422 CG LYS A 28 0.254 -12.509 -8.525 1.00 0.00 C ATOM 423 CD LYS A 28 -1.267 -12.337 -8.463 1.00 0.00 C ATOM 424 CE LYS A 28 -1.907 -13.601 -7.884 1.00 0.00 C ATOM 425 NZ LYS A 28 -3.065 -13.224 -7.026 1.00 0.00 N ATOM 0 H LYS A 28 1.731 -11.277 -5.037 1.00 0.00 H new ATOM 0 HA LYS A 28 0.209 -13.449 -6.023 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.248 -11.068 -6.912 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.839 -11.384 -7.576 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.644 -12.057 -9.437 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.509 -13.568 -8.560 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.520 -11.475 -7.846 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.661 -12.142 -9.460 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.236 -14.257 -8.690 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.174 -14.158 -7.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.500 -14.083 -6.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.738 -12.615 -6.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.767 -12.711 -7.596 1.00 0.00 H new ATOM 439 N HIS A 29 3.459 -13.547 -6.471 1.00 0.00 N ATOM 440 CA HIS A 29 4.566 -14.402 -6.893 1.00 0.00 C ATOM 441 C HIS A 29 4.498 -15.751 -6.183 1.00 0.00 C ATOM 442 O HIS A 29 4.873 -16.782 -6.742 1.00 0.00 O ATOM 443 CB HIS A 29 5.907 -13.738 -6.572 1.00 0.00 C ATOM 444 CG HIS A 29 6.167 -12.634 -7.559 1.00 0.00 C ATOM 445 ND1 HIS A 29 5.943 -12.787 -8.918 1.00 0.00 N ATOM 446 CD2 HIS A 29 6.633 -11.352 -7.399 1.00 0.00 C ATOM 447 CE1 HIS A 29 6.271 -11.627 -9.517 1.00 0.00 C ATOM 448 NE2 HIS A 29 6.698 -10.718 -8.636 1.00 0.00 N ATOM 0 H HIS A 29 3.740 -12.691 -5.993 1.00 0.00 H new ATOM 0 HA HIS A 29 4.483 -14.553 -7.969 1.00 0.00 H new ATOM 0 HB2 HIS A 29 5.894 -13.338 -5.558 1.00 0.00 H new ATOM 0 HB3 HIS A 29 6.709 -14.475 -6.614 1.00 0.00 H new ATOM 0 HD2 HIS A 29 6.908 -10.904 -6.456 1.00 0.00 H new ATOM 0 HE1 HIS A 29 6.198 -11.452 -10.580 1.00 0.00 H new ATOM 0 HE2 HIS A 29 7.005 -9.765 -8.829 1.00 0.00 H new ATOM 647 N LYS B 9 -4.789 15.516 -2.159 1.00 0.00 N ATOM 648 CA LYS B 9 -3.750 14.625 -2.669 1.00 0.00 C ATOM 649 C LYS B 9 -3.355 13.605 -1.607 1.00 0.00 C ATOM 650 O LYS B 9 -3.071 12.446 -1.912 1.00 0.00 O ATOM 651 CB LYS B 9 -2.512 15.424 -3.079 1.00 0.00 C ATOM 652 CG LYS B 9 -2.799 16.180 -4.377 1.00 0.00 C ATOM 653 CD LYS B 9 -2.343 15.338 -5.570 1.00 0.00 C ATOM 654 CE LYS B 9 -1.835 16.259 -6.683 1.00 0.00 C ATOM 655 NZ LYS B 9 -0.376 16.501 -6.498 1.00 0.00 N ATOM 0 HA LYS B 9 -4.150 14.106 -3.540 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -2.241 16.125 -2.290 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -1.663 14.754 -3.216 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -3.864 16.396 -4.457 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -2.279 17.138 -4.375 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -1.554 14.652 -5.263 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -3.170 14.730 -5.936 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -2.019 15.806 -7.657 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -2.377 17.204 -6.663 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -0.029 17.126 -7.253 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -0.213 16.950 -5.574 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 0.134 15.595 -6.537 1.00 0.00 H new ATOM 669 N ASN B 10 -3.337 14.049 -0.353 1.00 0.00 N ATOM 670 CA ASN B 10 -2.972 13.165 0.753 1.00 0.00 C ATOM 671 C ASN B 10 -4.059 12.119 0.975 1.00 0.00 C ATOM 672 O ASN B 10 -3.775 10.968 1.308 1.00 0.00 O ATOM 673 CB ASN B 10 -2.782 13.965 2.045 1.00 0.00 C ATOM 674 CG ASN B 10 -1.832 15.135 1.796 1.00 0.00 C ATOM 675 OD1 ASN B 10 -2.047 16.234 2.306 1.00 0.00 O ATOM 676 ND2 ASN B 10 -0.786 14.962 1.036 1.00 0.00 N ATOM 0 H ASN B 10 -3.568 15.004 -0.078 1.00 0.00 H new ATOM 0 HA ASN B 10 -2.035 12.672 0.493 1.00 0.00 H new ATOM 0 HB2 ASN B 10 -3.744 14.335 2.399 1.00 0.00 H new ATOM 0 HB3 ASN B 10 -2.382 13.320 2.827 1.00 0.00 H new ATOM 0 HD21 ASN B 10 -0.146 15.738 0.865 1.00 0.00 H new ATOM 0 HD22 ASN B 10 -0.608 14.051 0.613 1.00 0.00 H new ATOM 683 N ASP B 11 -5.309 12.534 0.788 1.00 0.00 N ATOM 684 CA ASP B 11 -6.439 11.626 0.970 1.00 0.00 C ATOM 685 C ASP B 11 -6.355 10.464 -0.015 1.00 0.00 C ATOM 686 O ASP B 11 -6.570 9.308 0.347 1.00 0.00 O ATOM 687 CB ASP B 11 -7.761 12.366 0.758 1.00 0.00 C ATOM 688 CG ASP B 11 -8.911 11.516 1.285 1.00 0.00 C ATOM 689 OD1 ASP B 11 -9.005 11.366 2.493 1.00 0.00 O ATOM 690 OD2 ASP B 11 -9.681 11.028 0.475 1.00 0.00 O ATOM 0 H ASP B 11 -5.564 13.483 0.513 1.00 0.00 H new ATOM 0 HA ASP B 11 -6.399 11.241 1.989 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -7.739 13.326 1.273 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -7.906 12.576 -0.302 1.00 0.00 H new ATOM 695 N THR B 12 -6.040 10.786 -1.266 1.00 0.00 N ATOM 696 CA THR B 12 -5.928 9.762 -2.302 1.00 0.00 C ATOM 697 C THR B 12 -4.817 8.775 -1.957 1.00 0.00 C ATOM 698 O THR B 12 -4.897 7.591 -2.280 1.00 0.00 O ATOM 699 CB THR B 12 -5.627 10.401 -3.659 1.00 0.00 C ATOM 700 OG1 THR B 12 -4.780 11.526 -3.473 1.00 0.00 O ATOM 701 CG2 THR B 12 -6.933 10.847 -4.317 1.00 0.00 C ATOM 0 H THR B 12 -5.859 11.738 -1.586 1.00 0.00 H new ATOM 0 HA THR B 12 -6.879 9.233 -2.356 1.00 0.00 H new ATOM 0 HB THR B 12 -5.130 9.673 -4.301 1.00 0.00 H new ATOM 0 HG1 THR B 12 -4.129 11.332 -2.767 1.00 0.00 H new ATOM 0 HG21 THR B 12 -6.717 11.302 -5.284 1.00 0.00 H new ATOM 0 HG22 THR B 12 -7.582 9.983 -4.460 1.00 0.00 H new ATOM 0 HG23 THR B 12 -7.433 11.574 -3.677 1.00 0.00 H new ATOM 709 N HIS B 13 -3.778 9.281 -1.298 1.00 0.00 N ATOM 710 CA HIS B 13 -2.651 8.436 -0.911 1.00 0.00 C ATOM 711 C HIS B 13 -3.094 7.391 0.106 1.00 0.00 C ATOM 712 O HIS B 13 -2.683 6.232 0.052 1.00 0.00 O ATOM 713 CB HIS B 13 -1.532 9.282 -0.299 1.00 0.00 C ATOM 714 CG HIS B 13 -0.610 9.760 -1.387 1.00 0.00 C ATOM 715 ND1 HIS B 13 -0.052 8.895 -2.316 1.00 0.00 N ATOM 716 CD2 HIS B 13 -0.138 11.008 -1.706 1.00 0.00 C ATOM 717 CE1 HIS B 13 0.718 9.628 -3.142 1.00 0.00 C ATOM 718 NE2 HIS B 13 0.702 10.924 -2.814 1.00 0.00 N ATOM 0 H HIS B 13 -3.692 10.260 -1.023 1.00 0.00 H new ATOM 0 HA HIS B 13 -2.281 7.938 -1.807 1.00 0.00 H new ATOM 0 HB2 HIS B 13 -1.956 10.134 0.233 1.00 0.00 H new ATOM 0 HB3 HIS B 13 -0.976 8.694 0.431 1.00 0.00 H new ATOM 0 HD2 HIS B 13 -0.381 11.918 -1.178 1.00 0.00 H new ATOM 0 HE1 HIS B 13 1.280 9.219 -3.969 1.00 0.00 H new ATOM 0 HE2 HIS B 13 1.198 11.687 -3.275 1.00 0.00 H new ATOM 726 N GLN B 14 -3.937 7.819 1.041 1.00 0.00 N ATOM 727 CA GLN B 14 -4.437 6.917 2.075 1.00 0.00 C ATOM 728 C GLN B 14 -5.338 5.847 1.466 1.00 0.00 C ATOM 729 O GLN B 14 -5.336 4.695 1.896 1.00 0.00 O ATOM 730 CB GLN B 14 -5.229 7.697 3.128 1.00 0.00 C ATOM 731 CG GLN B 14 -5.072 7.018 4.490 1.00 0.00 C ATOM 732 CD GLN B 14 -6.089 7.599 5.467 1.00 0.00 C ATOM 733 OE1 GLN B 14 -7.218 7.907 5.087 1.00 0.00 O ATOM 734 NE2 GLN B 14 -5.751 7.769 6.717 1.00 0.00 N ATOM 0 H GLN B 14 -4.286 8.775 1.105 1.00 0.00 H new ATOM 0 HA GLN B 14 -3.578 6.439 2.546 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -4.872 8.726 3.179 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -6.282 7.739 2.850 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -5.219 5.943 4.391 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -4.061 7.168 4.869 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -4.815 7.513 7.031 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -6.423 8.157 7.379 1.00 0.00 H new ATOM 743 N GLN B 15 -6.109 6.244 0.458 1.00 0.00 N ATOM 744 CA GLN B 15 -7.017 5.313 -0.209 1.00 0.00 C ATOM 745 C GLN B 15 -6.235 4.176 -0.856 1.00 0.00 C ATOM 746 O GLN B 15 -6.587 3.005 -0.718 1.00 0.00 O ATOM 747 CB GLN B 15 -7.830 6.035 -1.284 1.00 0.00 C ATOM 748 CG GLN B 15 -9.217 5.397 -1.392 1.00 0.00 C ATOM 749 CD GLN B 15 -10.245 6.469 -1.739 1.00 0.00 C ATOM 750 OE1 GLN B 15 -10.656 6.593 -2.892 1.00 0.00 O ATOM 751 NE2 GLN B 15 -10.690 7.258 -0.798 1.00 0.00 N ATOM 0 H GLN B 15 -6.125 7.194 0.087 1.00 0.00 H new ATOM 0 HA GLN B 15 -7.693 4.906 0.543 1.00 0.00 H new ATOM 0 HB2 GLN B 15 -7.923 7.092 -1.035 1.00 0.00 H new ATOM 0 HB3 GLN B 15 -7.316 5.977 -2.243 1.00 0.00 H new ATOM 0 HG2 GLN B 15 -9.213 4.621 -2.157 1.00 0.00 H new ATOM 0 HG3 GLN B 15 -9.482 4.915 -0.451 1.00 0.00 H new ATOM 0 HE21 GLN B 15 -10.349 7.155 0.158 1.00 0.00 H new ATOM 0 HE22 GLN B 15 -11.379 7.977 -1.019 1.00 0.00 H new ATOM 760 N ASP B 16 -5.163 4.533 -1.561 1.00 0.00 N ATOM 761 CA ASP B 16 -4.332 3.533 -2.226 1.00 0.00 C ATOM 762 C ASP B 16 -3.726 2.581 -1.198 1.00 0.00 C ATOM 763 O ASP B 16 -3.628 1.377 -1.425 1.00 0.00 O ATOM 764 CB ASP B 16 -3.203 4.206 -3.009 1.00 0.00 C ATOM 765 CG ASP B 16 -2.859 3.365 -4.233 1.00 0.00 C ATOM 766 OD1 ASP B 16 -2.137 2.394 -4.074 1.00 0.00 O ATOM 767 OD2 ASP B 16 -3.321 3.705 -5.309 1.00 0.00 O ATOM 0 H ASP B 16 -4.852 5.497 -1.686 1.00 0.00 H new ATOM 0 HA ASP B 16 -4.964 2.973 -2.915 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -3.506 5.207 -3.316 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -2.324 4.320 -2.374 1.00 0.00 H new ATOM 772 N ILE B 17 -3.327 3.143 -0.061 1.00 0.00 N ATOM 773 CA ILE B 17 -2.736 2.345 1.010 1.00 0.00 C ATOM 774 C ILE B 17 -3.750 1.319 1.517 1.00 0.00 C ATOM 775 O ILE B 17 -3.639 0.122 1.250 1.00 0.00 O ATOM 776 CB ILE B 17 -2.286 3.269 2.171 1.00 0.00 C ATOM 777 CG1 ILE B 17 -0.928 3.882 1.821 1.00 0.00 C ATOM 778 CG2 ILE B 17 -2.162 2.494 3.498 1.00 0.00 C ATOM 779 CD1 ILE B 17 -0.594 4.986 2.827 1.00 0.00 C ATOM 0 H ILE B 17 -3.401 4.140 0.143 1.00 0.00 H new ATOM 0 HA ILE B 17 -1.865 1.817 0.621 1.00 0.00 H new ATOM 0 HB ILE B 17 -3.040 4.046 2.301 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -0.155 3.114 1.837 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -0.950 4.290 0.811 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -1.845 3.174 4.288 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -3.128 2.061 3.758 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -1.426 1.698 3.387 1.00 0.00 H new ATOM 0 HD11 ILE B 17 0.373 5.424 2.579 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -1.362 5.758 2.788 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -0.554 4.564 3.831 1.00 0.00 H new ATOM 791 N ASP B 18 -4.722 1.812 2.283 1.00 0.00 N ATOM 792 CA ASP B 18 -5.748 0.958 2.876 1.00 0.00 C ATOM 793 C ASP B 18 -6.308 -0.045 1.859 1.00 0.00 C ATOM 794 O ASP B 18 -6.725 -1.146 2.219 1.00 0.00 O ATOM 795 CB ASP B 18 -6.897 1.815 3.421 1.00 0.00 C ATOM 796 CG ASP B 18 -6.699 2.052 4.916 1.00 0.00 C ATOM 797 OD1 ASP B 18 -6.560 1.078 5.637 1.00 0.00 O ATOM 798 OD2 ASP B 18 -6.689 3.204 5.317 1.00 0.00 O ATOM 0 H ASP B 18 -4.820 2.802 2.508 1.00 0.00 H new ATOM 0 HA ASP B 18 -5.280 0.401 3.687 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -6.934 2.768 2.894 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -7.850 1.316 3.245 1.00 0.00 H new ATOM 803 N ASP B 19 -6.308 0.350 0.590 1.00 0.00 N ATOM 804 CA ASP B 19 -6.813 -0.522 -0.467 1.00 0.00 C ATOM 805 C ASP B 19 -5.826 -1.654 -0.732 1.00 0.00 C ATOM 806 O ASP B 19 -6.217 -2.802 -0.944 1.00 0.00 O ATOM 807 CB ASP B 19 -7.023 0.269 -1.761 1.00 0.00 C ATOM 808 CG ASP B 19 -7.792 -0.587 -2.762 1.00 0.00 C ATOM 809 OD1 ASP B 19 -9.010 -0.571 -2.711 1.00 0.00 O ATOM 810 OD2 ASP B 19 -7.150 -1.246 -3.563 1.00 0.00 O ATOM 0 H ASP B 19 -5.969 1.257 0.270 1.00 0.00 H new ATOM 0 HA ASP B 19 -7.766 -0.936 -0.138 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -7.573 1.187 -1.553 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -6.061 0.562 -2.181 1.00 0.00 H new ATOM 815 N LEU B 20 -4.540 -1.317 -0.710 1.00 0.00 N ATOM 816 CA LEU B 20 -3.496 -2.311 -0.945 1.00 0.00 C ATOM 817 C LEU B 20 -3.500 -3.356 0.166 1.00 0.00 C ATOM 818 O LEU B 20 -3.308 -4.547 -0.079 1.00 0.00 O ATOM 819 CB LEU B 20 -2.122 -1.641 -0.993 1.00 0.00 C ATOM 820 CG LEU B 20 -1.948 -0.923 -2.332 1.00 0.00 C ATOM 821 CD1 LEU B 20 -0.783 0.064 -2.235 1.00 0.00 C ATOM 822 CD2 LEU B 20 -1.655 -1.951 -3.426 1.00 0.00 C ATOM 0 H LEU B 20 -4.197 -0.373 -0.534 1.00 0.00 H new ATOM 0 HA LEU B 20 -3.698 -2.794 -1.901 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -2.024 -0.930 -0.172 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -1.338 -2.387 -0.864 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.862 -0.382 -2.576 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -0.659 0.576 -3.189 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -0.991 0.796 -1.455 1.00 0.00 H new ATOM 0 HD13 LEU B 20 0.132 -0.476 -1.991 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -1.531 -1.441 -4.381 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -0.741 -2.492 -3.182 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.485 -2.654 -3.496 1.00 0.00 H new ATOM 834 N LYS B 21 -3.722 -2.893 1.394 1.00 0.00 N ATOM 835 CA LYS B 21 -3.749 -3.793 2.543 1.00 0.00 C ATOM 836 C LYS B 21 -4.935 -4.748 2.445 1.00 0.00 C ATOM 837 O LYS B 21 -4.867 -5.894 2.892 1.00 0.00 O ATOM 838 CB LYS B 21 -3.860 -2.996 3.844 1.00 0.00 C ATOM 839 CG LYS B 21 -2.465 -2.554 4.292 1.00 0.00 C ATOM 840 CD LYS B 21 -2.582 -1.320 5.189 1.00 0.00 C ATOM 841 CE LYS B 21 -1.483 -1.354 6.251 1.00 0.00 C ATOM 842 NZ LYS B 21 -1.919 -2.209 7.391 1.00 0.00 N ATOM 0 H LYS B 21 -3.884 -1.911 1.617 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.821 -4.364 2.544 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -4.499 -2.125 3.696 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -4.326 -3.606 4.618 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -1.972 -3.363 4.831 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -1.848 -2.327 3.423 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -2.496 -0.413 4.591 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -3.562 -1.296 5.666 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -0.560 -1.744 5.822 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -1.270 -0.344 6.601 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -1.171 -2.232 8.113 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -2.789 -1.818 7.805 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -2.102 -3.175 7.051 1.00 0.00 H new ATOM 856 N ARG B 22 -6.024 -4.264 1.854 1.00 0.00 N ATOM 857 CA ARG B 22 -7.224 -5.083 1.700 1.00 0.00 C ATOM 858 C ARG B 22 -6.929 -6.299 0.830 1.00 0.00 C ATOM 859 O ARG B 22 -7.222 -7.435 1.205 1.00 0.00 O ATOM 860 CB ARG B 22 -8.348 -4.270 1.055 1.00 0.00 C ATOM 861 CG ARG B 22 -9.663 -5.046 1.156 1.00 0.00 C ATOM 862 CD ARG B 22 -10.823 -4.145 0.732 1.00 0.00 C ATOM 863 NE ARG B 22 -12.053 -4.926 0.575 1.00 0.00 N ATOM 864 CZ ARG B 22 -12.764 -5.355 1.627 1.00 0.00 C ATOM 865 NH1 ARG B 22 -12.387 -5.093 2.857 1.00 0.00 N ATOM 866 NH2 ARG B 22 -13.854 -6.045 1.426 1.00 0.00 N ATOM 0 H ARG B 22 -6.101 -3.319 1.477 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.537 -5.412 2.691 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -8.444 -3.305 1.552 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -8.112 -4.068 0.010 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -9.625 -5.931 0.520 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -9.814 -5.394 2.178 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -10.975 -3.364 1.477 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -10.580 -3.647 -0.207 1.00 0.00 H new ATOM 0 HE ARG B 22 -12.379 -5.150 -0.365 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -11.538 -4.553 3.026 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -12.943 -5.429 3.643 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -14.158 -6.253 0.475 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -14.402 -6.376 2.220 1.00 0.00 H new ATOM 880 N GLN B 23 -6.344 -6.050 -0.339 1.00 0.00 N ATOM 881 CA GLN B 23 -6.011 -7.132 -1.260 1.00 0.00 C ATOM 882 C GLN B 23 -4.919 -8.018 -0.668 1.00 0.00 C ATOM 883 O GLN B 23 -4.995 -9.245 -0.726 1.00 0.00 O ATOM 884 CB GLN B 23 -5.526 -6.567 -2.597 1.00 0.00 C ATOM 885 CG GLN B 23 -6.717 -6.402 -3.544 1.00 0.00 C ATOM 886 CD GLN B 23 -7.011 -7.733 -4.228 1.00 0.00 C ATOM 887 OE1 GLN B 23 -8.127 -8.248 -4.146 1.00 0.00 O ATOM 888 NE2 GLN B 23 -6.067 -8.327 -4.905 1.00 0.00 N ATOM 0 H GLN B 23 -6.093 -5.118 -0.668 1.00 0.00 H new ATOM 0 HA GLN B 23 -6.911 -7.725 -1.423 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -5.036 -5.606 -2.441 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -4.786 -7.234 -3.039 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -7.593 -6.065 -2.989 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -6.499 -5.638 -4.290 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -5.143 -7.901 -4.973 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -6.253 -9.218 -5.366 1.00 0.00 H new ATOM 897 N ASN B 24 -3.900 -7.380 -0.100 1.00 0.00 N ATOM 898 CA ASN B 24 -2.792 -8.116 0.500 1.00 0.00 C ATOM 899 C ASN B 24 -3.273 -8.921 1.704 1.00 0.00 C ATOM 900 O ASN B 24 -2.771 -10.009 1.983 1.00 0.00 O ATOM 901 CB ASN B 24 -1.693 -7.152 0.954 1.00 0.00 C ATOM 902 CG ASN B 24 -1.193 -6.343 -0.240 1.00 0.00 C ATOM 903 OD1 ASN B 24 -1.884 -6.223 -1.253 1.00 0.00 O ATOM 904 ND2 ASN B 24 -0.021 -5.775 -0.181 1.00 0.00 N ATOM 0 H ASN B 24 -3.818 -6.365 -0.043 1.00 0.00 H new ATOM 0 HA ASN B 24 -2.393 -8.794 -0.254 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -2.078 -6.483 1.723 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -0.869 -7.709 1.399 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.323 -5.232 -0.973 1.00 0.00 H new ATOM 0 HD22 ASN B 24 0.552 -5.874 0.657 1.00 0.00 H new ATOM 911 N ALA B 25 -4.253 -8.369 2.415 1.00 0.00 N ATOM 912 CA ALA B 25 -4.799 -9.043 3.592 1.00 0.00 C ATOM 913 C ALA B 25 -5.422 -10.380 3.202 1.00 0.00 C ATOM 914 O ALA B 25 -5.062 -11.429 3.737 1.00 0.00 O ATOM 915 CB ALA B 25 -5.864 -8.173 4.260 1.00 0.00 C ATOM 0 H ALA B 25 -4.682 -7.468 2.201 1.00 0.00 H new ATOM 0 HA ALA B 25 -3.980 -9.215 4.290 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -6.260 -8.690 5.134 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -5.420 -7.226 4.568 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -6.673 -7.982 3.555 1.00 0.00 H new ATOM 921 N LEU B 26 -6.360 -10.330 2.261 1.00 0.00 N ATOM 922 CA LEU B 26 -7.033 -11.543 1.804 1.00 0.00 C ATOM 923 C LEU B 26 -6.031 -12.497 1.159 1.00 0.00 C ATOM 924 O LEU B 26 -6.181 -13.717 1.232 1.00 0.00 O ATOM 925 CB LEU B 26 -8.120 -11.200 0.783 1.00 0.00 C ATOM 926 CG LEU B 26 -9.439 -10.935 1.511 1.00 0.00 C ATOM 927 CD1 LEU B 26 -9.512 -9.462 1.916 1.00 0.00 C ATOM 928 CD2 LEU B 26 -10.608 -11.267 0.583 1.00 0.00 C ATOM 0 H LEU B 26 -6.670 -9.473 1.804 1.00 0.00 H new ATOM 0 HA LEU B 26 -7.487 -12.023 2.671 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -7.828 -10.322 0.206 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -8.241 -12.020 0.076 1.00 0.00 H new ATOM 0 HG LEU B 26 -9.494 -11.559 2.403 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -10.452 -9.273 2.435 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -8.679 -9.225 2.577 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -9.457 -8.837 1.025 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -11.548 -11.079 1.101 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -10.553 -10.643 -0.309 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -10.557 -12.317 0.295 1.00 0.00 H new ATOM 940 N LEU B 27 -5.009 -11.927 0.527 1.00 0.00 N ATOM 941 CA LEU B 27 -3.984 -12.735 -0.131 1.00 0.00 C ATOM 942 C LEU B 27 -3.267 -13.621 0.884 1.00 0.00 C ATOM 943 O LEU B 27 -3.328 -14.848 0.812 1.00 0.00 O ATOM 944 CB LEU B 27 -2.956 -11.838 -0.822 1.00 0.00 C ATOM 945 CG LEU B 27 -3.512 -11.367 -2.167 1.00 0.00 C ATOM 946 CD1 LEU B 27 -2.775 -10.102 -2.611 1.00 0.00 C ATOM 947 CD2 LEU B 27 -3.311 -12.467 -3.213 1.00 0.00 C ATOM 0 H LEU B 27 -4.868 -10.919 0.456 1.00 0.00 H new ATOM 0 HA LEU B 27 -4.478 -13.361 -0.874 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -2.724 -10.980 -0.191 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -2.024 -12.383 -0.972 1.00 0.00 H new ATOM 0 HG LEU B 27 -4.575 -11.150 -2.065 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -3.172 -9.767 -3.569 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -2.916 -9.319 -1.866 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -1.712 -10.318 -2.714 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -3.707 -12.133 -4.172 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -2.247 -12.683 -3.314 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -3.836 -13.369 -2.898 1.00 0.00 H new ATOM 959 N GLU B 28 -2.589 -12.982 1.835 1.00 0.00 N ATOM 960 CA GLU B 28 -1.857 -13.716 2.869 1.00 0.00 C ATOM 961 C GLU B 28 -2.801 -14.632 3.647 1.00 0.00 C ATOM 962 O GLU B 28 -2.483 -15.792 3.913 1.00 0.00 O ATOM 963 CB GLU B 28 -1.193 -12.738 3.843 1.00 0.00 C ATOM 964 CG GLU B 28 -0.298 -13.509 4.817 1.00 0.00 C ATOM 965 CD GLU B 28 1.139 -13.502 4.307 1.00 0.00 C ATOM 966 OE1 GLU B 28 1.336 -13.814 3.144 1.00 0.00 O ATOM 967 OE2 GLU B 28 2.023 -13.184 5.086 1.00 0.00 O ATOM 0 H GLU B 28 -2.530 -11.967 1.913 1.00 0.00 H new ATOM 0 HA GLU B 28 -1.093 -14.320 2.379 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -0.602 -12.006 3.292 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -1.954 -12.185 4.393 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -0.345 -13.055 5.807 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -0.653 -14.534 4.919 1.00 0.00 H new ATOM 974 N GLN B 29 -3.965 -14.096 4.009 1.00 0.00 N ATOM 975 CA GLN B 29 -4.958 -14.868 4.760 1.00 0.00 C ATOM 976 C GLN B 29 -5.312 -16.160 4.026 1.00 0.00 C ATOM 977 O GLN B 29 -5.614 -17.181 4.646 1.00 0.00 O ATOM 978 CB GLN B 29 -6.233 -14.046 4.960 1.00 0.00 C ATOM 979 CG GLN B 29 -7.037 -14.626 6.125 1.00 0.00 C ATOM 980 CD GLN B 29 -8.325 -13.828 6.302 1.00 0.00 C ATOM 981 OE1 GLN B 29 -8.287 -12.617 6.518 1.00 0.00 O ATOM 982 NE2 GLN B 29 -9.474 -14.443 6.225 1.00 0.00 N ATOM 0 H GLN B 29 -4.244 -13.138 3.797 1.00 0.00 H new ATOM 0 HA GLN B 29 -4.523 -15.113 5.729 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -5.979 -13.005 5.162 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -6.832 -14.057 4.050 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -7.269 -15.674 5.934 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -6.447 -14.592 7.041 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -9.504 -15.447 6.046 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -10.341 -13.920 6.344 1.00 0.00 H new ATOM 991 N GLN B 30 -5.263 -16.105 2.698 1.00 0.00 N ATOM 992 CA GLN B 30 -5.573 -17.278 1.885 1.00 0.00 C ATOM 993 C GLN B 30 -4.320 -18.127 1.694 1.00 0.00 C ATOM 994 O GLN B 30 -4.387 -19.355 1.639 1.00 0.00 O ATOM 995 CB GLN B 30 -6.104 -16.856 0.514 1.00 0.00 C ATOM 996 CG GLN B 30 -6.848 -18.029 -0.126 1.00 0.00 C ATOM 997 CD GLN B 30 -8.287 -18.056 0.379 1.00 0.00 C ATOM 998 OE1 GLN B 30 -8.739 -19.060 0.930 1.00 0.00 O ATOM 999 NE2 GLN B 30 -9.040 -17.002 0.225 1.00 0.00 N ATOM 0 H GLN B 30 -5.015 -15.271 2.166 1.00 0.00 H new ATOM 0 HA GLN B 30 -6.337 -17.859 2.402 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -6.772 -16.001 0.618 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -5.280 -16.541 -0.126 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -6.834 -17.933 -1.212 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -6.348 -18.967 0.118 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -8.666 -16.170 -0.231 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -10.003 -17.010 0.561 1.00 0.00 H new ATOM 1008 N VAL B 31 -3.178 -17.454 1.597 1.00 0.00 N ATOM 1009 CA VAL B 31 -1.905 -18.146 1.416 1.00 0.00 C ATOM 1010 C VAL B 31 -1.538 -18.912 2.685 1.00 0.00 C ATOM 1011 O VAL B 31 -0.925 -19.978 2.629 1.00 0.00 O ATOM 1012 CB VAL B 31 -0.795 -17.139 1.090 1.00 0.00 C ATOM 1013 CG1 VAL B 31 0.511 -17.882 0.792 1.00 0.00 C ATOM 1014 CG2 VAL B 31 -1.201 -16.306 -0.135 1.00 0.00 C ATOM 0 H VAL B 31 -3.107 -16.437 1.640 1.00 0.00 H new ATOM 0 HA VAL B 31 -2.008 -18.847 0.588 1.00 0.00 H new ATOM 0 HB VAL B 31 -0.646 -16.481 1.946 1.00 0.00 H new ATOM 0 HG11 VAL B 31 1.295 -17.161 0.561 1.00 0.00 H new ATOM 0 HG12 VAL B 31 0.803 -18.469 1.663 1.00 0.00 H new ATOM 0 HG13 VAL B 31 0.366 -18.545 -0.061 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -0.412 -15.591 -0.366 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -1.354 -16.966 -0.989 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -2.125 -15.770 0.080 1.00 0.00 H new ATOM 1024 N ARG B 32 -1.922 -18.354 3.831 1.00 0.00 N ATOM 1025 CA ARG B 32 -1.630 -18.991 5.113 1.00 0.00 C ATOM 1026 C ARG B 32 -2.306 -20.357 5.195 1.00 0.00 C ATOM 1027 O ARG B 32 -1.787 -21.286 5.814 1.00 0.00 O ATOM 1028 CB ARG B 32 -2.125 -18.120 6.268 1.00 0.00 C ATOM 1029 CG ARG B 32 -1.260 -18.369 7.506 1.00 0.00 C ATOM 1030 CD ARG B 32 -1.759 -19.616 8.235 1.00 0.00 C ATOM 1031 NE ARG B 32 -1.495 -19.514 9.674 1.00 0.00 N ATOM 1032 CZ ARG B 32 -0.277 -19.724 10.190 1.00 0.00 C ATOM 1033 NH1 ARG B 32 0.744 -20.031 9.426 1.00 0.00 N ATOM 1034 NH2 ARG B 32 -0.102 -19.621 11.478 1.00 0.00 N ATOM 0 H ARG B 32 -2.430 -17.472 3.899 1.00 0.00 H new ATOM 0 HA ARG B 32 -0.550 -19.115 5.189 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -2.082 -17.068 5.988 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -3.168 -18.349 6.488 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -0.218 -18.498 7.214 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -1.300 -17.506 8.170 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -2.828 -19.740 8.064 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -1.267 -20.501 7.831 1.00 0.00 H new ATOM 0 HE ARG B 32 -2.263 -19.276 10.302 1.00 0.00 H new ATOM 0 HH11 ARG B 32 0.619 -20.114 8.417 1.00 0.00 H new ATOM 0 HH12 ARG B 32 1.663 -20.187 9.841 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -0.889 -19.383 12.082 1.00 0.00 H new ATOM 0 HH22 ARG B 32 0.821 -19.779 11.881 1.00 0.00 H new ATOM 1048 N ALA B 33 -3.471 -20.468 4.563 1.00 0.00 N ATOM 1049 CA ALA B 33 -4.213 -21.724 4.569 1.00 0.00 C ATOM 1050 C ALA B 33 -3.436 -22.806 3.825 1.00 0.00 C ATOM 1051 O ALA B 33 -3.419 -23.968 4.229 1.00 0.00 O ATOM 1052 CB ALA B 33 -5.579 -21.544 3.902 1.00 0.00 C ATOM 0 H ALA B 33 -3.918 -19.711 4.045 1.00 0.00 H new ATOM 0 HA ALA B 33 -4.353 -22.026 5.607 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -6.118 -22.491 3.916 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -6.152 -20.792 4.444 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -5.440 -21.220 2.870 1.00 0.00 H new ATOM 1058 N LEU B 34 -2.792 -22.408 2.732 1.00 0.00 N ATOM 1059 CA LEU B 34 -2.012 -23.351 1.933 1.00 0.00 C ATOM 1060 C LEU B 34 -0.586 -23.445 2.467 1.00 0.00 C ATOM 1061 O LEU B 34 -0.226 -22.771 3.432 1.00 0.00 O ATOM 1062 CB LEU B 34 -1.969 -22.902 0.465 1.00 0.00 C ATOM 1063 CG LEU B 34 -3.110 -23.556 -0.333 1.00 0.00 C ATOM 1064 CD1 LEU B 34 -2.948 -25.080 -0.318 1.00 0.00 C ATOM 1065 CD2 LEU B 34 -4.463 -23.180 0.281 1.00 0.00 C ATOM 0 H LEU B 34 -2.793 -21.450 2.381 1.00 0.00 H new ATOM 0 HA LEU B 34 -2.491 -24.328 1.999 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -2.053 -21.817 0.408 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -1.009 -23.171 0.024 1.00 0.00 H new ATOM 0 HG LEU B 34 -3.071 -23.197 -1.362 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.759 -25.538 -0.885 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -1.993 -25.349 -0.769 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -2.977 -25.439 0.711 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -5.265 -23.648 -0.291 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.503 -23.527 1.313 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -4.585 -22.097 0.258 1.00 0.00 H new