USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 714 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 92 HIS : no HE2:sc= 0.862 K(o=2.9,f=-6!) USER MOD Set 1.2: A 93 SER OG : rot -175:sc= 2.05 USER MOD Set 2.1: A 49 HIS : no HD1:sc= -0.351 K(o=1.8,f=-0.029) USER MOD Set 2.2: A 68 ASN : amide:sc= 0.697 K(o=1.8,f=-4.5!) USER MOD Set 2.3: A 70 THR OG1 : rot 99:sc= 1.44 USER MOD Set 3.1: A 8 SER OG : rot -73:sc= 0.0796 USER MOD Set 3.2: A 10 THR OG1 : rot -149:sc= 0.859 USER MOD Set 3.3: A 22 GLN : amide:sc= 0.961 K(o=1.6,f=0.15) USER MOD Set 3.4: A 100 HIS : no HD1:sc= -0.255 X(o=1.6,f=2) USER MOD Single : A 7 THR OG1 : rot 23:sc= 0.0995 USER MOD Single : A 12 GLN : amide:sc= 0.245 K(o=0.25,f=-2.1) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -1.12! C(o=-1.1!,f=-3.4!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= 1.52 K(o=1.5,f=-11!) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0856 USER MOD Single : A 46 SER OG : rot 127:sc= 0.481 USER MOD Single : A 57 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.36) USER MOD Single : A 65 ASN : amide:sc= 0.132 K(o=0.13,f=-4.9!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.216 USER MOD Single : A 73 ASN : amide:sc= 0.706 K(o=0.71,f=-0.32) USER MOD Single : A 74 ASN : amide:sc= 0.285 K(o=0.28,f=-5.3!) USER MOD Single : A 78 GLN : amide:sc= -0.128 K(o=-0.13,f=-0.99) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 99 MET CE :methyl 167:sc= -0.0486 (180deg=-0.343) USER MOD ----------------------------------------------------------------- ATOM 62 N THR A 7 -4.087 -8.250 3.657 1.00 2.21 N ATOM 63 CA THR A 7 -3.111 -7.227 3.704 1.00 25.01 C ATOM 64 C THR A 7 -3.207 -6.407 2.426 1.00 13.53 C ATOM 65 O THR A 7 -2.991 -6.920 1.329 1.00 65.43 O ATOM 66 CB THR A 7 -1.675 -7.779 3.816 1.00 5.52 C ATOM 67 OG1 THR A 7 -1.584 -8.689 4.926 1.00 33.51 O ATOM 68 CG2 THR A 7 -0.727 -6.628 4.060 1.00 41.40 C ATOM 0 HA THR A 7 -3.308 -6.626 4.592 1.00 25.01 H new ATOM 0 HB THR A 7 -1.418 -8.301 2.894 1.00 5.52 H new ATOM 0 HG1 THR A 7 -2.474 -9.042 5.134 1.00 33.51 H new ATOM 0 HG21 THR A 7 0.292 -7.007 4.141 1.00 41.40 H new ATOM 0 HG22 THR A 7 -0.788 -5.924 3.230 1.00 41.40 H new ATOM 0 HG23 THR A 7 -1.000 -6.121 4.986 1.00 41.40 H new ATOM 76 N SER A 8 -3.553 -5.171 2.581 1.00 5.43 N ATOM 77 CA SER A 8 -3.595 -4.225 1.519 1.00 15.01 C ATOM 78 C SER A 8 -3.507 -2.866 2.159 1.00 5.00 C ATOM 79 O SER A 8 -4.010 -2.688 3.269 1.00 33.51 O ATOM 80 CB SER A 8 -4.879 -4.395 0.693 1.00 14.03 C ATOM 81 OG SER A 8 -6.037 -4.319 1.508 1.00 0.45 O ATOM 0 H SER A 8 -3.823 -4.780 3.484 1.00 5.43 H new ATOM 0 HA SER A 8 -2.771 -4.366 0.820 1.00 15.01 H new ATOM 0 HB2 SER A 8 -4.923 -3.623 -0.076 1.00 14.03 H new ATOM 0 HB3 SER A 8 -4.857 -5.356 0.179 1.00 14.03 H new ATOM 0 HG SER A 8 -6.115 -5.136 2.043 1.00 0.45 H new ATOM 87 N VAL A 9 -2.843 -1.938 1.536 1.00 23.45 N ATOM 88 CA VAL A 9 -2.664 -0.646 2.143 1.00 41.32 C ATOM 89 C VAL A 9 -3.545 0.395 1.486 1.00 14.33 C ATOM 90 O VAL A 9 -3.529 0.568 0.261 1.00 32.33 O ATOM 91 CB VAL A 9 -1.182 -0.198 2.137 1.00 25.11 C ATOM 92 CG1 VAL A 9 -1.037 1.183 2.751 1.00 63.40 C ATOM 93 CG2 VAL A 9 -0.327 -1.194 2.903 1.00 52.13 C ATOM 0 H VAL A 9 -2.418 -2.046 0.615 1.00 23.45 H new ATOM 0 HA VAL A 9 -2.968 -0.742 3.185 1.00 41.32 H new ATOM 0 HB VAL A 9 -0.843 -0.158 1.102 1.00 25.11 H new ATOM 0 HG11 VAL A 9 0.012 1.479 2.737 1.00 63.40 H new ATOM 0 HG12 VAL A 9 -1.624 1.900 2.177 1.00 63.40 H new ATOM 0 HG13 VAL A 9 -1.395 1.163 3.780 1.00 63.40 H new ATOM 0 HG21 VAL A 9 0.713 -0.866 2.891 1.00 52.13 H new ATOM 0 HG22 VAL A 9 -0.676 -1.256 3.934 1.00 52.13 H new ATOM 0 HG23 VAL A 9 -0.404 -2.175 2.435 1.00 52.13 H new ATOM 103 N THR A 10 -4.294 1.066 2.300 1.00 63.12 N ATOM 104 CA THR A 10 -5.203 2.070 1.879 1.00 12.12 C ATOM 105 C THR A 10 -4.809 3.380 2.562 1.00 52.44 C ATOM 106 O THR A 10 -4.534 3.396 3.766 1.00 53.35 O ATOM 107 CB THR A 10 -6.642 1.675 2.288 1.00 32.01 C ATOM 108 OG1 THR A 10 -6.932 0.330 1.842 1.00 72.10 O ATOM 109 CG2 THR A 10 -7.669 2.622 1.694 1.00 43.34 C ATOM 0 H THR A 10 -4.286 0.921 3.310 1.00 63.12 H new ATOM 0 HA THR A 10 -5.169 2.184 0.796 1.00 12.12 H new ATOM 0 HB THR A 10 -6.702 1.732 3.375 1.00 32.01 H new ATOM 0 HG1 THR A 10 -7.888 0.251 1.642 1.00 72.10 H new ATOM 0 HG21 THR A 10 -8.668 2.315 2.002 1.00 43.34 H new ATOM 0 HG22 THR A 10 -7.476 3.635 2.047 1.00 43.34 H new ATOM 0 HG23 THR A 10 -7.601 2.597 0.606 1.00 43.34 H new ATOM 117 N LEU A 11 -4.729 4.440 1.807 1.00 52.35 N ATOM 118 CA LEU A 11 -4.394 5.724 2.355 1.00 45.01 C ATOM 119 C LEU A 11 -5.669 6.471 2.729 1.00 21.02 C ATOM 120 O LEU A 11 -6.665 6.430 1.993 1.00 54.41 O ATOM 121 CB LEU A 11 -3.445 6.517 1.401 1.00 60.31 C ATOM 122 CG LEU A 11 -3.914 6.820 -0.047 1.00 72.21 C ATOM 123 CD1 LEU A 11 -4.862 8.014 -0.114 1.00 15.53 C ATOM 124 CD2 LEU A 11 -2.719 7.031 -0.962 1.00 74.24 C ATOM 0 H LEU A 11 -4.893 4.439 0.800 1.00 52.35 H new ATOM 0 HA LEU A 11 -3.824 5.597 3.276 1.00 45.01 H new ATOM 0 HB2 LEU A 11 -3.219 7.470 1.880 1.00 60.31 H new ATOM 0 HB3 LEU A 11 -2.508 5.964 1.334 1.00 60.31 H new ATOM 0 HG LEU A 11 -4.474 5.950 -0.391 1.00 72.21 H new ATOM 0 HD11 LEU A 11 -5.161 8.184 -1.148 1.00 15.53 H new ATOM 0 HD12 LEU A 11 -5.746 7.811 0.490 1.00 15.53 H new ATOM 0 HD13 LEU A 11 -4.357 8.901 0.268 1.00 15.53 H new ATOM 0 HD21 LEU A 11 -3.068 7.242 -1.973 1.00 74.24 H new ATOM 0 HD22 LEU A 11 -2.127 7.871 -0.599 1.00 74.24 H new ATOM 0 HD23 LEU A 11 -2.104 6.131 -0.971 1.00 74.24 H new ATOM 136 N GLN A 12 -5.654 7.070 3.881 1.00 14.24 N ATOM 137 CA GLN A 12 -6.793 7.767 4.422 1.00 50.22 C ATOM 138 C GLN A 12 -6.505 9.242 4.583 1.00 21.41 C ATOM 139 O GLN A 12 -5.552 9.626 5.260 1.00 2.20 O ATOM 140 CB GLN A 12 -7.158 7.148 5.756 1.00 11.13 C ATOM 141 CG GLN A 12 -8.285 7.840 6.495 1.00 14.31 C ATOM 142 CD GLN A 12 -8.836 6.983 7.593 1.00 70.34 C ATOM 143 OE1 GLN A 12 -8.364 6.999 8.730 1.00 25.24 O ATOM 144 NE2 GLN A 12 -9.845 6.248 7.267 1.00 3.25 N ATOM 0 H GLN A 12 -4.835 7.091 4.488 1.00 14.24 H new ATOM 0 HA GLN A 12 -7.630 7.672 3.730 1.00 50.22 H new ATOM 0 HB2 GLN A 12 -7.436 6.107 5.593 1.00 11.13 H new ATOM 0 HB3 GLN A 12 -6.273 7.146 6.393 1.00 11.13 H new ATOM 0 HG2 GLN A 12 -7.923 8.779 6.913 1.00 14.31 H new ATOM 0 HG3 GLN A 12 -9.081 8.089 5.793 1.00 14.31 H new ATOM 0 HE21 GLN A 12 -10.203 6.267 6.312 1.00 3.25 H new ATOM 0 HE22 GLN A 12 -10.285 5.648 7.964 1.00 3.25 H new ATOM 153 N LEU A 13 -7.339 10.049 3.995 1.00 12.41 N ATOM 154 CA LEU A 13 -7.181 11.477 4.002 1.00 70.55 C ATOM 155 C LEU A 13 -8.476 12.089 4.460 1.00 1.43 C ATOM 156 O LEU A 13 -9.535 11.694 3.989 1.00 74.45 O ATOM 157 CB LEU A 13 -6.868 11.974 2.586 1.00 70.11 C ATOM 158 CG LEU A 13 -6.735 13.481 2.441 1.00 25.11 C ATOM 159 CD1 LEU A 13 -5.523 13.997 3.186 1.00 42.50 C ATOM 160 CD2 LEU A 13 -6.703 13.906 0.991 1.00 62.01 C ATOM 0 H LEU A 13 -8.164 9.729 3.487 1.00 12.41 H new ATOM 0 HA LEU A 13 -6.364 11.757 4.667 1.00 70.55 H new ATOM 0 HB2 LEU A 13 -5.940 11.510 2.253 1.00 70.11 H new ATOM 0 HB3 LEU A 13 -7.655 11.629 1.915 1.00 70.11 H new ATOM 0 HG LEU A 13 -7.622 13.927 2.890 1.00 25.11 H new ATOM 0 HD11 LEU A 13 -5.454 15.078 3.064 1.00 42.50 H new ATOM 0 HD12 LEU A 13 -5.617 13.757 4.245 1.00 42.50 H new ATOM 0 HD13 LEU A 13 -4.624 13.529 2.786 1.00 42.50 H new ATOM 0 HD21 LEU A 13 -6.607 14.990 0.932 1.00 62.01 H new ATOM 0 HD22 LEU A 13 -5.853 13.439 0.494 1.00 62.01 H new ATOM 0 HD23 LEU A 13 -7.626 13.596 0.501 1.00 62.01 H new ATOM 172 N ASP A 14 -8.429 13.024 5.354 1.00 61.45 N ATOM 173 CA ASP A 14 -9.651 13.625 5.796 1.00 22.43 C ATOM 174 C ASP A 14 -9.675 15.104 5.579 1.00 34.42 C ATOM 175 O ASP A 14 -9.022 15.865 6.293 1.00 30.13 O ATOM 176 CB ASP A 14 -10.001 13.294 7.240 1.00 23.31 C ATOM 177 CG ASP A 14 -11.275 14.001 7.657 1.00 61.05 C ATOM 178 OD1 ASP A 14 -12.335 13.725 7.062 1.00 51.35 O ATOM 179 OD2 ASP A 14 -11.227 14.879 8.545 1.00 64.33 O ATOM 0 H ASP A 14 -7.578 13.384 5.786 1.00 61.45 H new ATOM 0 HA ASP A 14 -10.422 13.178 5.168 1.00 22.43 H new ATOM 0 HB2 ASP A 14 -10.123 12.217 7.352 1.00 23.31 H new ATOM 0 HB3 ASP A 14 -9.183 13.592 7.895 1.00 23.31 H new ATOM 184 N ASP A 15 -10.365 15.499 4.541 1.00 60.54 N ATOM 185 CA ASP A 15 -10.657 16.901 4.276 1.00 31.20 C ATOM 186 C ASP A 15 -11.606 17.358 5.359 1.00 24.42 C ATOM 187 O ASP A 15 -11.420 18.383 6.024 1.00 32.34 O ATOM 188 CB ASP A 15 -11.432 17.033 2.957 1.00 71.40 C ATOM 189 CG ASP A 15 -10.785 16.374 1.773 1.00 52.50 C ATOM 190 OD1 ASP A 15 -10.736 15.120 1.736 1.00 21.41 O ATOM 191 OD2 ASP A 15 -10.379 17.086 0.838 1.00 12.21 O ATOM 0 H ASP A 15 -10.747 14.859 3.845 1.00 60.54 H new ATOM 0 HA ASP A 15 -9.729 17.472 4.236 1.00 31.20 H new ATOM 0 HB2 ASP A 15 -12.426 16.607 3.093 1.00 71.40 H new ATOM 0 HB3 ASP A 15 -11.566 18.092 2.736 1.00 71.40 H new ATOM 196 N GLY A 16 -12.591 16.523 5.537 1.00 25.33 N ATOM 197 CA GLY A 16 -13.691 16.707 6.428 1.00 3.14 C ATOM 198 C GLY A 16 -14.794 15.839 5.906 1.00 43.00 C ATOM 199 O GLY A 16 -15.955 16.247 5.820 1.00 24.40 O ATOM 0 H GLY A 16 -12.646 15.640 5.029 1.00 25.33 H new ATOM 0 HA2 GLY A 16 -13.421 16.425 7.445 1.00 3.14 H new ATOM 0 HA3 GLY A 16 -13.998 17.752 6.458 1.00 3.14 H new ATOM 203 N SER A 17 -14.417 14.618 5.571 1.00 14.21 N ATOM 204 CA SER A 17 -15.269 13.697 4.865 1.00 2.20 C ATOM 205 C SER A 17 -14.698 12.295 5.035 1.00 52.12 C ATOM 206 O SER A 17 -15.392 11.383 5.480 1.00 72.24 O ATOM 207 CB SER A 17 -15.315 14.093 3.370 1.00 73.02 C ATOM 208 OG SER A 17 -16.207 13.286 2.621 1.00 24.24 O ATOM 0 H SER A 17 -13.495 14.239 5.788 1.00 14.21 H new ATOM 0 HA SER A 17 -16.285 13.724 5.260 1.00 2.20 H new ATOM 0 HB2 SER A 17 -15.615 15.137 3.283 1.00 73.02 H new ATOM 0 HB3 SER A 17 -14.314 14.013 2.945 1.00 73.02 H new ATOM 0 HG SER A 17 -16.202 13.575 1.685 1.00 24.24 H new ATOM 214 N GLY A 18 -13.420 12.143 4.715 1.00 5.51 N ATOM 215 CA GLY A 18 -12.775 10.869 4.860 1.00 33.04 C ATOM 216 C GLY A 18 -12.652 10.148 3.544 1.00 13.51 C ATOM 217 O GLY A 18 -13.571 9.438 3.129 1.00 44.14 O ATOM 0 H GLY A 18 -12.823 12.888 4.357 1.00 5.51 H new ATOM 0 HA2 GLY A 18 -11.784 11.011 5.290 1.00 33.04 H new ATOM 0 HA3 GLY A 18 -13.341 10.253 5.560 1.00 33.04 H new ATOM 221 N ARG A 19 -11.538 10.344 2.883 1.00 50.35 N ATOM 222 CA ARG A 19 -11.253 9.697 1.616 1.00 21.51 C ATOM 223 C ARG A 19 -10.369 8.520 1.878 1.00 1.24 C ATOM 224 O ARG A 19 -9.551 8.556 2.809 1.00 14.31 O ATOM 225 CB ARG A 19 -10.419 10.562 0.698 1.00 13.55 C ATOM 226 CG ARG A 19 -10.883 11.965 0.416 1.00 10.51 C ATOM 227 CD ARG A 19 -9.942 12.594 -0.599 1.00 20.22 C ATOM 228 NE ARG A 19 -10.035 14.052 -0.639 1.00 32.15 N ATOM 229 CZ ARG A 19 -9.652 14.835 -1.661 1.00 22.23 C ATOM 230 NH1 ARG A 19 -9.204 14.306 -2.806 1.00 63.25 N ATOM 231 NH2 ARG A 19 -9.701 16.149 -1.526 1.00 74.10 N ATOM 0 H ARG A 19 -10.794 10.962 3.208 1.00 50.35 H new ATOM 0 HA ARG A 19 -12.218 9.462 1.166 1.00 21.51 H new ATOM 0 HB2 ARG A 19 -9.416 10.623 1.121 1.00 13.55 H new ATOM 0 HB3 ARG A 19 -10.331 10.044 -0.257 1.00 13.55 H new ATOM 0 HG2 ARG A 19 -11.903 11.956 0.031 1.00 10.51 H new ATOM 0 HG3 ARG A 19 -10.894 12.551 1.335 1.00 10.51 H new ATOM 0 HD2 ARG A 19 -8.917 12.307 -0.362 1.00 20.22 H new ATOM 0 HD3 ARG A 19 -10.164 12.194 -1.588 1.00 20.22 H new ATOM 0 HE ARG A 19 -10.425 14.516 0.181 1.00 32.15 H new ATOM 0 HH11 ARG A 19 -9.149 13.293 -2.913 1.00 63.25 H new ATOM 0 HH12 ARG A 19 -8.917 14.916 -3.572 1.00 63.25 H new ATOM 0 HH21 ARG A 19 -10.028 16.560 -0.651 1.00 74.10 H new ATOM 0 HH22 ARG A 19 -9.412 16.752 -2.296 1.00 74.10 H new ATOM 245 N THR A 20 -10.483 7.514 1.053 1.00 51.20 N ATOM 246 CA THR A 20 -9.606 6.375 1.113 1.00 40.52 C ATOM 247 C THR A 20 -9.302 5.881 -0.296 1.00 75.40 C ATOM 248 O THR A 20 -10.213 5.758 -1.131 1.00 22.23 O ATOM 249 CB THR A 20 -10.176 5.224 1.987 1.00 71.03 C ATOM 250 OG1 THR A 20 -11.509 4.876 1.575 1.00 3.53 O ATOM 251 CG2 THR A 20 -10.181 5.607 3.454 1.00 65.42 C ATOM 0 H THR A 20 -11.188 7.461 0.318 1.00 51.20 H new ATOM 0 HA THR A 20 -8.683 6.700 1.593 1.00 40.52 H new ATOM 0 HB THR A 20 -9.527 4.359 1.851 1.00 71.03 H new ATOM 0 HG1 THR A 20 -11.846 4.148 2.138 1.00 3.53 H new ATOM 0 HG21 THR A 20 -10.585 4.784 4.044 1.00 65.42 H new ATOM 0 HG22 THR A 20 -9.162 5.820 3.778 1.00 65.42 H new ATOM 0 HG23 THR A 20 -10.800 6.493 3.597 1.00 65.42 H new ATOM 259 N TYR A 21 -8.049 5.651 -0.568 1.00 34.22 N ATOM 260 CA TYR A 21 -7.599 5.171 -1.861 1.00 41.14 C ATOM 261 C TYR A 21 -6.622 4.067 -1.589 1.00 55.32 C ATOM 262 O TYR A 21 -5.776 4.204 -0.710 1.00 63.32 O ATOM 263 CB TYR A 21 -6.926 6.314 -2.650 1.00 65.14 C ATOM 264 CG TYR A 21 -6.452 5.956 -4.056 1.00 61.30 C ATOM 265 CD1 TYR A 21 -7.314 6.047 -5.142 1.00 23.42 C ATOM 266 CD2 TYR A 21 -5.138 5.549 -4.295 1.00 55.02 C ATOM 267 CE1 TYR A 21 -6.890 5.739 -6.423 1.00 41.34 C ATOM 268 CE2 TYR A 21 -4.705 5.246 -5.575 1.00 24.33 C ATOM 269 CZ TYR A 21 -5.587 5.342 -6.635 1.00 54.12 C ATOM 270 OH TYR A 21 -5.159 5.049 -7.917 1.00 74.15 O ATOM 0 H TYR A 21 -7.295 5.791 0.105 1.00 34.22 H new ATOM 0 HA TYR A 21 -8.433 4.812 -2.463 1.00 41.14 H new ATOM 0 HB2 TYR A 21 -7.629 7.144 -2.723 1.00 65.14 H new ATOM 0 HB3 TYR A 21 -6.070 6.671 -2.078 1.00 65.14 H new ATOM 0 HD1 TYR A 21 -8.334 6.364 -4.984 1.00 23.42 H new ATOM 0 HD2 TYR A 21 -4.448 5.469 -3.468 1.00 55.02 H new ATOM 0 HE1 TYR A 21 -7.577 5.809 -7.253 1.00 41.34 H new ATOM 0 HE2 TYR A 21 -3.684 4.937 -5.744 1.00 24.33 H new ATOM 0 HH TYR A 21 -4.215 4.786 -7.895 1.00 74.15 H new ATOM 280 N GLN A 22 -6.728 2.989 -2.290 1.00 32.32 N ATOM 281 CA GLN A 22 -5.890 1.865 -2.008 1.00 1.42 C ATOM 282 C GLN A 22 -4.747 1.772 -3.000 1.00 4.32 C ATOM 283 O GLN A 22 -4.897 2.111 -4.165 1.00 33.01 O ATOM 284 CB GLN A 22 -6.720 0.589 -1.947 1.00 1.31 C ATOM 285 CG GLN A 22 -5.961 -0.627 -1.469 1.00 3.42 C ATOM 286 CD GLN A 22 -6.874 -1.774 -1.181 1.00 24.10 C ATOM 287 OE1 GLN A 22 -7.159 -2.607 -2.049 1.00 2.41 O ATOM 288 NE2 GLN A 22 -7.366 -1.818 0.021 1.00 54.21 N ATOM 0 H GLN A 22 -7.383 2.859 -3.061 1.00 32.32 H new ATOM 0 HA GLN A 22 -5.434 2.002 -1.027 1.00 1.42 H new ATOM 0 HB2 GLN A 22 -7.570 0.755 -1.286 1.00 1.31 H new ATOM 0 HB3 GLN A 22 -7.123 0.384 -2.939 1.00 1.31 H new ATOM 0 HG2 GLN A 22 -5.234 -0.922 -2.226 1.00 3.42 H new ATOM 0 HG3 GLN A 22 -5.400 -0.375 -0.569 1.00 3.42 H new ATOM 0 HE21 GLN A 22 -7.103 -1.109 0.706 1.00 54.21 H new ATOM 0 HE22 GLN A 22 -8.015 -2.561 0.280 1.00 54.21 H new ATOM 297 N LEU A 23 -3.613 1.347 -2.518 1.00 3.35 N ATOM 298 CA LEU A 23 -2.431 1.206 -3.329 1.00 15.24 C ATOM 299 C LEU A 23 -2.501 -0.067 -4.145 1.00 4.31 C ATOM 300 O LEU A 23 -2.959 -1.111 -3.660 1.00 0.03 O ATOM 301 CB LEU A 23 -1.199 1.173 -2.439 1.00 33.21 C ATOM 302 CG LEU A 23 -0.908 2.441 -1.636 1.00 22.21 C ATOM 303 CD1 LEU A 23 0.142 2.147 -0.613 1.00 1.23 C ATOM 304 CD2 LEU A 23 -0.425 3.562 -2.545 1.00 11.53 C ATOM 0 H LEU A 23 -3.479 1.085 -1.541 1.00 3.35 H new ATOM 0 HA LEU A 23 -2.368 2.057 -4.007 1.00 15.24 H new ATOM 0 HB2 LEU A 23 -1.304 0.343 -1.741 1.00 33.21 H new ATOM 0 HB3 LEU A 23 -0.332 0.957 -3.063 1.00 33.21 H new ATOM 0 HG LEU A 23 -1.829 2.762 -1.149 1.00 22.21 H new ATOM 0 HD11 LEU A 23 0.352 3.049 -0.038 1.00 1.23 H new ATOM 0 HD12 LEU A 23 -0.212 1.364 0.057 1.00 1.23 H new ATOM 0 HD13 LEU A 23 1.052 1.814 -1.111 1.00 1.23 H new ATOM 0 HD21 LEU A 23 -0.225 4.453 -1.949 1.00 11.53 H new ATOM 0 HD22 LEU A 23 0.489 3.251 -3.052 1.00 11.53 H new ATOM 0 HD23 LEU A 23 -1.192 3.786 -3.286 1.00 11.53 H new ATOM 316 N ARG A 24 -2.079 0.025 -5.370 1.00 11.54 N ATOM 317 CA ARG A 24 -2.027 -1.115 -6.255 1.00 33.34 C ATOM 318 C ARG A 24 -0.624 -1.674 -6.188 1.00 10.54 C ATOM 319 O ARG A 24 0.294 -0.952 -5.797 1.00 31.03 O ATOM 320 CB ARG A 24 -2.399 -0.724 -7.710 1.00 5.42 C ATOM 321 CG ARG A 24 -3.906 -0.477 -7.998 1.00 73.14 C ATOM 322 CD ARG A 24 -4.540 0.549 -7.064 1.00 40.42 C ATOM 323 NE ARG A 24 -5.877 0.985 -7.505 1.00 44.34 N ATOM 324 CZ ARG A 24 -6.937 1.209 -6.705 1.00 74.51 C ATOM 325 NH1 ARG A 24 -6.992 0.692 -5.492 1.00 3.13 N ATOM 326 NH2 ARG A 24 -7.979 1.864 -7.174 1.00 61.03 N ATOM 0 H ARG A 24 -1.757 0.896 -5.793 1.00 11.54 H new ATOM 0 HA ARG A 24 -2.755 -1.864 -5.942 1.00 33.34 H new ATOM 0 HB2 ARG A 24 -1.849 0.180 -7.971 1.00 5.42 H new ATOM 0 HB3 ARG A 24 -2.049 -1.513 -8.375 1.00 5.42 H new ATOM 0 HG2 ARG A 24 -4.021 -0.140 -9.028 1.00 73.14 H new ATOM 0 HG3 ARG A 24 -4.445 -1.420 -7.909 1.00 73.14 H new ATOM 0 HD2 ARG A 24 -4.615 0.123 -6.064 1.00 40.42 H new ATOM 0 HD3 ARG A 24 -3.886 1.418 -6.992 1.00 40.42 H new ATOM 0 HE ARG A 24 -6.012 1.130 -8.506 1.00 44.34 H new ATOM 0 HH11 ARG A 24 -6.225 0.114 -5.149 1.00 3.13 H new ATOM 0 HH12 ARG A 24 -7.802 0.871 -4.898 1.00 3.13 H new ATOM 0 HH21 ARG A 24 -7.980 2.198 -8.138 1.00 61.03 H new ATOM 0 HH22 ARG A 24 -8.785 2.037 -6.573 1.00 61.03 H new ATOM 340 N GLU A 25 -0.447 -2.929 -6.537 1.00 73.34 N ATOM 341 CA GLU A 25 0.873 -3.544 -6.453 1.00 33.53 C ATOM 342 C GLU A 25 1.858 -2.888 -7.410 1.00 61.55 C ATOM 343 O GLU A 25 1.488 -2.440 -8.503 1.00 4.01 O ATOM 344 CB GLU A 25 0.829 -5.050 -6.653 1.00 53.13 C ATOM 345 CG GLU A 25 0.270 -5.500 -7.981 1.00 62.02 C ATOM 346 CD GLU A 25 0.435 -6.967 -8.158 1.00 42.50 C ATOM 347 OE1 GLU A 25 1.498 -7.394 -8.643 1.00 30.03 O ATOM 348 OE2 GLU A 25 -0.461 -7.728 -7.771 1.00 22.24 O ATOM 0 H GLU A 25 -1.186 -3.543 -6.879 1.00 73.34 H new ATOM 0 HA GLU A 25 1.229 -3.372 -5.437 1.00 33.53 H new ATOM 0 HB2 GLU A 25 1.839 -5.445 -6.548 1.00 53.13 H new ATOM 0 HB3 GLU A 25 0.230 -5.490 -5.856 1.00 53.13 H new ATOM 0 HG2 GLU A 25 -0.787 -5.239 -8.042 1.00 62.02 H new ATOM 0 HG3 GLU A 25 0.776 -4.973 -8.790 1.00 62.02 H new ATOM 355 N GLY A 26 3.080 -2.829 -6.990 1.00 15.35 N ATOM 356 CA GLY A 26 4.092 -2.155 -7.729 1.00 75.15 C ATOM 357 C GLY A 26 4.436 -0.902 -6.991 1.00 31.31 C ATOM 358 O GLY A 26 3.979 -0.713 -5.853 1.00 22.45 O ATOM 0 H GLY A 26 3.404 -3.250 -6.119 1.00 15.35 H new ATOM 0 HA2 GLY A 26 4.972 -2.789 -7.838 1.00 75.15 H new ATOM 0 HA3 GLY A 26 3.741 -1.922 -8.734 1.00 75.15 H new ATOM 362 N SER A 27 5.210 -0.048 -7.557 1.00 52.32 N ATOM 363 CA SER A 27 5.514 1.152 -6.870 1.00 3.44 C ATOM 364 C SER A 27 4.607 2.285 -7.321 1.00 22.22 C ATOM 365 O SER A 27 4.441 2.548 -8.516 1.00 11.22 O ATOM 366 CB SER A 27 6.990 1.489 -6.964 1.00 33.12 C ATOM 367 OG SER A 27 7.415 1.595 -8.316 1.00 42.02 O ATOM 0 H SER A 27 5.637 -0.154 -8.477 1.00 52.32 H new ATOM 0 HA SER A 27 5.311 1.001 -5.810 1.00 3.44 H new ATOM 0 HB2 SER A 27 7.183 2.428 -6.446 1.00 33.12 H new ATOM 0 HB3 SER A 27 7.573 0.720 -6.458 1.00 33.12 H new ATOM 0 HG SER A 27 8.370 1.815 -8.343 1.00 42.02 H new ATOM 373 N ASN A 28 3.994 2.914 -6.368 1.00 45.24 N ATOM 374 CA ASN A 28 3.075 3.979 -6.627 1.00 15.43 C ATOM 375 C ASN A 28 3.799 5.249 -6.306 1.00 15.24 C ATOM 376 O ASN A 28 4.191 5.475 -5.156 1.00 51.12 O ATOM 377 CB ASN A 28 1.772 3.869 -5.776 1.00 73.42 C ATOM 378 CG ASN A 28 0.939 2.572 -5.973 1.00 52.11 C ATOM 379 OD1 ASN A 28 -0.296 2.597 -5.928 1.00 44.22 O ATOM 380 ND2 ASN A 28 1.583 1.445 -6.132 1.00 25.20 N ATOM 0 H ASN A 28 4.118 2.701 -5.378 1.00 45.24 H new ATOM 0 HA ASN A 28 2.753 3.942 -7.668 1.00 15.43 H new ATOM 0 HB2 ASN A 28 2.041 3.948 -4.723 1.00 73.42 H new ATOM 0 HB3 ASN A 28 1.137 4.724 -6.007 1.00 73.42 H new ATOM 0 HD21 ASN A 28 1.066 0.570 -6.221 1.00 25.20 H new ATOM 0 HD22 ASN A 28 2.602 1.441 -6.167 1.00 25.20 H new ATOM 387 N ILE A 29 4.043 6.029 -7.306 1.00 72.51 N ATOM 388 CA ILE A 29 4.782 7.251 -7.161 1.00 1.52 C ATOM 389 C ILE A 29 3.827 8.394 -6.851 1.00 11.00 C ATOM 390 O ILE A 29 2.773 8.535 -7.500 1.00 62.43 O ATOM 391 CB ILE A 29 5.601 7.547 -8.447 1.00 14.42 C ATOM 392 CG1 ILE A 29 6.577 6.386 -8.724 1.00 44.41 C ATOM 393 CG2 ILE A 29 6.350 8.869 -8.331 1.00 41.33 C ATOM 394 CD1 ILE A 29 7.374 6.527 -10.003 1.00 40.14 C ATOM 0 H ILE A 29 3.734 5.839 -8.259 1.00 72.51 H new ATOM 0 HA ILE A 29 5.484 7.148 -6.334 1.00 1.52 H new ATOM 0 HB ILE A 29 4.910 7.635 -9.285 1.00 14.42 H new ATOM 0 HG12 ILE A 29 7.270 6.303 -7.887 1.00 44.41 H new ATOM 0 HG13 ILE A 29 6.012 5.455 -8.764 1.00 44.41 H new ATOM 0 HG21 ILE A 29 6.914 9.049 -9.246 1.00 41.33 H new ATOM 0 HG22 ILE A 29 5.637 9.679 -8.179 1.00 41.33 H new ATOM 0 HG23 ILE A 29 7.036 8.826 -7.485 1.00 41.33 H new ATOM 0 HD11 ILE A 29 8.034 5.667 -10.117 1.00 40.14 H new ATOM 0 HD12 ILE A 29 6.693 6.577 -10.852 1.00 40.14 H new ATOM 0 HD13 ILE A 29 7.970 7.439 -9.962 1.00 40.14 H new ATOM 406 N ILE A 30 4.174 9.169 -5.854 1.00 61.34 N ATOM 407 CA ILE A 30 3.376 10.272 -5.409 1.00 74.35 C ATOM 408 C ILE A 30 4.140 11.591 -5.625 1.00 13.24 C ATOM 409 O ILE A 30 5.346 11.700 -5.307 1.00 74.23 O ATOM 410 CB ILE A 30 2.993 10.102 -3.906 1.00 31.40 C ATOM 411 CG1 ILE A 30 2.221 8.780 -3.692 1.00 64.35 C ATOM 412 CG2 ILE A 30 2.193 11.294 -3.404 1.00 33.23 C ATOM 413 CD1 ILE A 30 1.803 8.513 -2.258 1.00 70.22 C ATOM 0 H ILE A 30 5.036 9.044 -5.323 1.00 61.34 H new ATOM 0 HA ILE A 30 2.456 10.297 -5.993 1.00 74.35 H new ATOM 0 HB ILE A 30 3.913 10.058 -3.323 1.00 31.40 H new ATOM 0 HG12 ILE A 30 1.330 8.790 -4.320 1.00 64.35 H new ATOM 0 HG13 ILE A 30 2.843 7.953 -4.035 1.00 64.35 H new ATOM 0 HG21 ILE A 30 1.941 11.147 -2.354 1.00 33.23 H new ATOM 0 HG22 ILE A 30 2.787 12.202 -3.511 1.00 33.23 H new ATOM 0 HG23 ILE A 30 1.277 11.389 -3.987 1.00 33.23 H new ATOM 0 HD11 ILE A 30 1.268 7.565 -2.205 1.00 70.22 H new ATOM 0 HD12 ILE A 30 2.688 8.466 -1.624 1.00 70.22 H new ATOM 0 HD13 ILE A 30 1.152 9.316 -1.913 1.00 70.22 H new ATOM 425 N GLY A 31 3.456 12.555 -6.195 1.00 34.01 N ATOM 426 CA GLY A 31 4.018 13.855 -6.456 1.00 14.32 C ATOM 427 C GLY A 31 3.221 14.511 -7.538 1.00 34.24 C ATOM 428 O GLY A 31 2.080 14.100 -7.777 1.00 21.45 O ATOM 0 H GLY A 31 2.485 12.456 -6.492 1.00 34.01 H new ATOM 0 HA2 GLY A 31 4.001 14.463 -5.552 1.00 14.32 H new ATOM 0 HA3 GLY A 31 5.061 13.762 -6.758 1.00 14.32 H new ATOM 432 N ARG A 32 3.746 15.530 -8.179 1.00 1.13 N ATOM 433 CA ARG A 32 3.038 16.072 -9.323 1.00 4.41 C ATOM 434 C ARG A 32 3.973 15.989 -10.499 1.00 71.31 C ATOM 435 O ARG A 32 4.919 16.776 -10.601 1.00 45.30 O ATOM 436 CB ARG A 32 2.667 17.557 -9.113 1.00 61.04 C ATOM 437 CG ARG A 32 2.114 17.898 -7.746 1.00 42.32 C ATOM 438 CD ARG A 32 1.633 19.344 -7.672 1.00 31.41 C ATOM 439 NE ARG A 32 0.375 19.540 -8.406 1.00 12.53 N ATOM 440 CZ ARG A 32 -0.156 20.715 -8.759 1.00 21.02 C ATOM 441 NH1 ARG A 32 0.505 21.849 -8.546 1.00 44.20 N ATOM 442 NH2 ARG A 32 -1.354 20.745 -9.333 1.00 3.25 N ATOM 0 H ARG A 32 4.626 15.988 -7.943 1.00 1.13 H new ATOM 0 HA ARG A 32 2.117 15.508 -9.475 1.00 4.41 H new ATOM 0 HB2 ARG A 32 3.554 18.165 -9.290 1.00 61.04 H new ATOM 0 HB3 ARG A 32 1.931 17.841 -9.866 1.00 61.04 H new ATOM 0 HG2 ARG A 32 1.287 17.228 -7.511 1.00 42.32 H new ATOM 0 HG3 ARG A 32 2.883 17.732 -6.991 1.00 42.32 H new ATOM 0 HD2 ARG A 32 1.493 19.627 -6.629 1.00 31.41 H new ATOM 0 HD3 ARG A 32 2.399 20.003 -8.081 1.00 31.41 H new ATOM 0 HE ARG A 32 -0.141 18.701 -8.671 1.00 12.53 H new ATOM 0 HH11 ARG A 32 1.427 21.828 -8.109 1.00 44.20 H new ATOM 0 HH12 ARG A 32 0.090 22.740 -8.819 1.00 44.20 H new ATOM 0 HH21 ARG A 32 -1.861 19.876 -9.501 1.00 3.25 H new ATOM 0 HH22 ARG A 32 -1.767 21.637 -9.606 1.00 3.25 H new ATOM 456 N GLY A 33 3.746 15.043 -11.354 1.00 53.10 N ATOM 457 CA GLY A 33 4.534 14.919 -12.521 1.00 61.42 C ATOM 458 C GLY A 33 4.171 13.703 -13.276 1.00 45.50 C ATOM 459 O GLY A 33 3.395 12.890 -12.784 1.00 21.14 O ATOM 0 H GLY A 33 3.011 14.342 -11.257 1.00 53.10 H new ATOM 0 HA2 GLY A 33 4.398 15.798 -13.152 1.00 61.42 H new ATOM 0 HA3 GLY A 33 5.589 14.882 -12.250 1.00 61.42 H new ATOM 463 N GLN A 34 4.793 13.543 -14.414 1.00 55.41 N ATOM 464 CA GLN A 34 4.589 12.419 -15.323 1.00 45.34 C ATOM 465 C GLN A 34 4.723 11.048 -14.638 1.00 60.54 C ATOM 466 O GLN A 34 3.921 10.144 -14.887 1.00 14.31 O ATOM 467 CB GLN A 34 5.578 12.534 -16.493 1.00 13.21 C ATOM 468 CG GLN A 34 7.031 12.755 -16.058 1.00 74.04 C ATOM 469 CD GLN A 34 7.977 12.895 -17.218 1.00 40.42 C ATOM 470 OE1 GLN A 34 8.191 13.995 -17.726 1.00 4.11 O ATOM 471 NE2 GLN A 34 8.575 11.815 -17.618 1.00 64.42 N ATOM 0 H GLN A 34 5.484 14.211 -14.757 1.00 55.41 H new ATOM 0 HA GLN A 34 3.562 12.474 -15.684 1.00 45.34 H new ATOM 0 HB2 GLN A 34 5.523 11.626 -17.093 1.00 13.21 H new ATOM 0 HB3 GLN A 34 5.272 13.360 -17.135 1.00 13.21 H new ATOM 0 HG2 GLN A 34 7.087 13.651 -15.440 1.00 74.04 H new ATOM 0 HG3 GLN A 34 7.349 11.919 -15.436 1.00 74.04 H new ATOM 0 HE21 GLN A 34 8.369 10.922 -17.170 1.00 64.42 H new ATOM 0 HE22 GLN A 34 9.251 11.859 -18.381 1.00 64.42 H new ATOM 480 N ASP A 35 5.694 10.922 -13.750 1.00 4.23 N ATOM 481 CA ASP A 35 6.002 9.647 -13.091 1.00 32.51 C ATOM 482 C ASP A 35 4.921 9.258 -12.105 1.00 14.00 C ATOM 483 O ASP A 35 4.540 8.090 -12.005 1.00 32.33 O ATOM 484 CB ASP A 35 7.323 9.741 -12.315 1.00 64.01 C ATOM 485 CG ASP A 35 8.489 10.228 -13.135 1.00 63.21 C ATOM 486 OD1 ASP A 35 9.130 9.417 -13.837 1.00 1.21 O ATOM 487 OD2 ASP A 35 8.780 11.430 -13.084 1.00 71.02 O ATOM 0 H ASP A 35 6.295 11.694 -13.460 1.00 4.23 H new ATOM 0 HA ASP A 35 6.072 8.898 -13.879 1.00 32.51 H new ATOM 0 HB2 ASP A 35 7.186 10.411 -11.466 1.00 64.01 H new ATOM 0 HB3 ASP A 35 7.564 8.758 -11.910 1.00 64.01 H new ATOM 492 N ALA A 36 4.388 10.250 -11.437 1.00 0.35 N ATOM 493 CA ALA A 36 3.468 10.051 -10.336 1.00 42.52 C ATOM 494 C ALA A 36 2.108 9.548 -10.789 1.00 71.03 C ATOM 495 O ALA A 36 1.427 10.204 -11.586 1.00 72.22 O ATOM 496 CB ALA A 36 3.317 11.341 -9.556 1.00 3.12 C ATOM 0 H ALA A 36 4.580 11.231 -11.641 1.00 0.35 H new ATOM 0 HA ALA A 36 3.892 9.277 -9.696 1.00 42.52 H new ATOM 0 HB1 ALA A 36 2.624 11.187 -8.729 1.00 3.12 H new ATOM 0 HB2 ALA A 36 4.288 11.645 -9.165 1.00 3.12 H new ATOM 0 HB3 ALA A 36 2.930 12.120 -10.213 1.00 3.12 H new ATOM 502 N GLN A 37 1.720 8.375 -10.309 1.00 53.12 N ATOM 503 CA GLN A 37 0.405 7.851 -10.582 1.00 33.20 C ATOM 504 C GLN A 37 -0.595 8.600 -9.729 1.00 22.51 C ATOM 505 O GLN A 37 -1.720 8.891 -10.156 1.00 12.43 O ATOM 506 CB GLN A 37 0.281 6.341 -10.294 1.00 24.51 C ATOM 507 CG GLN A 37 1.144 5.413 -11.149 1.00 22.43 C ATOM 508 CD GLN A 37 2.522 5.151 -10.576 1.00 54.02 C ATOM 509 OE1 GLN A 37 3.096 5.978 -9.882 1.00 15.24 O ATOM 510 NE2 GLN A 37 3.053 3.997 -10.857 1.00 62.23 N ATOM 0 H GLN A 37 2.304 7.773 -9.728 1.00 53.12 H new ATOM 0 HA GLN A 37 0.212 7.987 -11.646 1.00 33.20 H new ATOM 0 HB2 GLN A 37 0.531 6.171 -9.247 1.00 24.51 H new ATOM 0 HB3 GLN A 37 -0.762 6.053 -10.424 1.00 24.51 H new ATOM 0 HG2 GLN A 37 0.626 4.462 -11.271 1.00 22.43 H new ATOM 0 HG3 GLN A 37 1.252 5.847 -12.143 1.00 22.43 H new ATOM 0 HE21 GLN A 37 2.546 3.330 -11.439 1.00 62.23 H new ATOM 0 HE22 GLN A 37 3.976 3.759 -10.495 1.00 62.23 H new ATOM 519 N PHE A 38 -0.176 8.930 -8.536 1.00 35.05 N ATOM 520 CA PHE A 38 -0.996 9.666 -7.629 1.00 1.20 C ATOM 521 C PHE A 38 -0.487 11.092 -7.568 1.00 63.12 C ATOM 522 O PHE A 38 0.605 11.367 -7.047 1.00 13.31 O ATOM 523 CB PHE A 38 -1.011 8.996 -6.249 1.00 14.42 C ATOM 524 CG PHE A 38 -1.840 9.706 -5.209 1.00 31.31 C ATOM 525 CD1 PHE A 38 -3.217 9.813 -5.338 1.00 45.43 C ATOM 526 CD2 PHE A 38 -1.237 10.249 -4.096 1.00 62.24 C ATOM 527 CE1 PHE A 38 -3.965 10.455 -4.368 1.00 22.32 C ATOM 528 CE2 PHE A 38 -1.969 10.890 -3.131 1.00 11.10 C ATOM 529 CZ PHE A 38 -3.336 10.996 -3.262 1.00 65.23 C ATOM 0 H PHE A 38 0.746 8.692 -8.171 1.00 35.05 H new ATOM 0 HA PHE A 38 -2.029 9.679 -7.978 1.00 1.20 H new ATOM 0 HB2 PHE A 38 -1.386 7.978 -6.359 1.00 14.42 H new ATOM 0 HB3 PHE A 38 0.014 8.921 -5.886 1.00 14.42 H new ATOM 0 HD1 PHE A 38 -3.709 9.392 -6.202 1.00 45.43 H new ATOM 0 HD2 PHE A 38 -0.166 10.168 -3.982 1.00 62.24 H new ATOM 0 HE1 PHE A 38 -5.037 10.534 -4.474 1.00 22.32 H new ATOM 0 HE2 PHE A 38 -1.474 11.312 -2.268 1.00 11.10 H new ATOM 0 HZ PHE A 38 -3.915 11.500 -2.503 1.00 65.23 H new ATOM 539 N ARG A 39 -1.254 11.978 -8.135 1.00 44.45 N ATOM 540 CA ARG A 39 -0.895 13.364 -8.226 1.00 62.12 C ATOM 541 C ARG A 39 -1.352 14.079 -6.994 1.00 35.14 C ATOM 542 O ARG A 39 -2.541 14.056 -6.670 1.00 23.41 O ATOM 543 CB ARG A 39 -1.565 14.007 -9.444 1.00 25.31 C ATOM 544 CG ARG A 39 -1.265 13.323 -10.760 1.00 72.25 C ATOM 545 CD ARG A 39 0.193 13.426 -11.136 1.00 63.43 C ATOM 546 NE ARG A 39 0.487 12.630 -12.328 1.00 54.11 N ATOM 547 CZ ARG A 39 0.494 13.075 -13.591 1.00 54.45 C ATOM 548 NH1 ARG A 39 0.204 14.339 -13.858 1.00 41.43 N ATOM 549 NH2 ARG A 39 0.810 12.241 -14.582 1.00 23.50 N ATOM 0 H ARG A 39 -2.158 11.755 -8.552 1.00 44.45 H new ATOM 0 HA ARG A 39 0.188 13.439 -8.326 1.00 62.12 H new ATOM 0 HB2 ARG A 39 -2.644 14.011 -9.289 1.00 25.31 H new ATOM 0 HB3 ARG A 39 -1.248 15.048 -9.510 1.00 25.31 H new ATOM 0 HG2 ARG A 39 -1.548 12.273 -10.695 1.00 72.25 H new ATOM 0 HG3 ARG A 39 -1.874 13.769 -11.547 1.00 72.25 H new ATOM 0 HD2 ARG A 39 0.452 14.469 -11.318 1.00 63.43 H new ATOM 0 HD3 ARG A 39 0.811 13.085 -10.305 1.00 63.43 H new ATOM 0 HE ARG A 39 0.707 11.645 -12.184 1.00 54.11 H new ATOM 0 HH11 ARG A 39 -0.027 14.981 -13.099 1.00 41.43 H new ATOM 0 HH12 ARG A 39 0.211 14.671 -14.822 1.00 41.43 H new ATOM 0 HH21 ARG A 39 1.045 11.270 -14.376 1.00 23.50 H new ATOM 0 HH22 ARG A 39 0.817 12.574 -15.546 1.00 23.50 H new ATOM 563 N LEU A 40 -0.436 14.679 -6.293 1.00 70.54 N ATOM 564 CA LEU A 40 -0.802 15.482 -5.160 1.00 14.11 C ATOM 565 C LEU A 40 -1.287 16.825 -5.636 1.00 72.14 C ATOM 566 O LEU A 40 -0.638 17.447 -6.450 1.00 51.45 O ATOM 567 CB LEU A 40 0.352 15.668 -4.171 1.00 12.01 C ATOM 568 CG LEU A 40 0.695 14.470 -3.294 1.00 10.41 C ATOM 569 CD1 LEU A 40 1.860 14.802 -2.392 1.00 41.10 C ATOM 570 CD2 LEU A 40 -0.505 14.063 -2.451 1.00 62.23 C ATOM 0 H LEU A 40 0.565 14.630 -6.483 1.00 70.54 H new ATOM 0 HA LEU A 40 -1.596 14.956 -4.629 1.00 14.11 H new ATOM 0 HB2 LEU A 40 1.243 15.945 -4.734 1.00 12.01 H new ATOM 0 HB3 LEU A 40 0.112 16.509 -3.521 1.00 12.01 H new ATOM 0 HG LEU A 40 0.968 13.638 -3.943 1.00 10.41 H new ATOM 0 HD11 LEU A 40 2.096 13.939 -1.770 1.00 41.10 H new ATOM 0 HD12 LEU A 40 2.728 15.060 -2.999 1.00 41.10 H new ATOM 0 HD13 LEU A 40 1.598 15.647 -1.755 1.00 41.10 H new ATOM 0 HD21 LEU A 40 -0.241 13.206 -1.832 1.00 62.23 H new ATOM 0 HD22 LEU A 40 -0.800 14.895 -1.812 1.00 62.23 H new ATOM 0 HD23 LEU A 40 -1.335 13.796 -3.105 1.00 62.23 H new ATOM 582 N PRO A 41 -2.435 17.290 -5.166 1.00 13.22 N ATOM 583 CA PRO A 41 -2.954 18.597 -5.549 1.00 3.21 C ATOM 584 C PRO A 41 -2.361 19.704 -4.670 1.00 4.41 C ATOM 585 O PRO A 41 -2.617 20.897 -4.865 1.00 5.12 O ATOM 586 CB PRO A 41 -4.467 18.470 -5.291 1.00 50.24 C ATOM 587 CG PRO A 41 -4.692 17.100 -4.705 1.00 53.24 C ATOM 588 CD PRO A 41 -3.359 16.594 -4.255 1.00 13.12 C ATOM 0 HA PRO A 41 -2.709 18.860 -6.578 1.00 3.21 H new ATOM 0 HB2 PRO A 41 -4.809 19.245 -4.605 1.00 50.24 H new ATOM 0 HB3 PRO A 41 -5.029 18.592 -6.217 1.00 50.24 H new ATOM 0 HG2 PRO A 41 -5.389 17.148 -3.868 1.00 53.24 H new ATOM 0 HG3 PRO A 41 -5.129 16.430 -5.446 1.00 53.24 H new ATOM 0 HD2 PRO A 41 -3.162 16.839 -3.211 1.00 13.12 H new ATOM 0 HD3 PRO A 41 -3.283 15.511 -4.348 1.00 13.12 H new ATOM 596 N ASP A 42 -1.548 19.288 -3.732 1.00 12.41 N ATOM 597 CA ASP A 42 -0.964 20.166 -2.746 1.00 60.34 C ATOM 598 C ASP A 42 0.342 20.751 -3.238 1.00 73.13 C ATOM 599 O ASP A 42 0.755 20.508 -4.379 1.00 22.24 O ATOM 600 CB ASP A 42 -0.754 19.424 -1.416 1.00 52.13 C ATOM 601 CG ASP A 42 -2.050 18.923 -0.814 1.00 62.34 C ATOM 602 OD1 ASP A 42 -3.053 19.655 -0.848 1.00 43.04 O ATOM 603 OD2 ASP A 42 -2.080 17.800 -0.266 1.00 1.05 O ATOM 0 H ASP A 42 -1.268 18.313 -3.629 1.00 12.41 H new ATOM 0 HA ASP A 42 -1.659 20.989 -2.579 1.00 60.34 H new ATOM 0 HB2 ASP A 42 -0.083 18.580 -1.578 1.00 52.13 H new ATOM 0 HB3 ASP A 42 -0.263 20.090 -0.707 1.00 52.13 H new ATOM 608 N THR A 43 0.994 21.511 -2.395 1.00 34.04 N ATOM 609 CA THR A 43 2.237 22.141 -2.744 1.00 53.33 C ATOM 610 C THR A 43 3.327 21.726 -1.743 1.00 63.11 C ATOM 611 O THR A 43 3.025 21.092 -0.725 1.00 32.35 O ATOM 612 CB THR A 43 2.088 23.694 -2.840 1.00 74.20 C ATOM 613 OG1 THR A 43 3.309 24.284 -3.289 1.00 52.40 O ATOM 614 CG2 THR A 43 1.694 24.303 -1.507 1.00 31.01 C ATOM 0 H THR A 43 0.675 21.709 -1.446 1.00 34.04 H new ATOM 0 HA THR A 43 2.536 21.802 -3.736 1.00 53.33 H new ATOM 0 HB THR A 43 1.295 23.900 -3.559 1.00 74.20 H new ATOM 0 HG1 THR A 43 3.201 25.256 -3.346 1.00 52.40 H new ATOM 0 HG21 THR A 43 1.600 25.384 -1.614 1.00 31.01 H new ATOM 0 HG22 THR A 43 0.740 23.886 -1.184 1.00 31.01 H new ATOM 0 HG23 THR A 43 2.459 24.077 -0.764 1.00 31.01 H new ATOM 622 N GLY A 44 4.574 22.078 -2.040 1.00 0.41 N ATOM 623 CA GLY A 44 5.700 21.653 -1.230 1.00 34.41 C ATOM 624 C GLY A 44 6.197 20.316 -1.718 1.00 75.32 C ATOM 625 O GLY A 44 7.059 19.688 -1.122 1.00 71.23 O ATOM 0 H GLY A 44 4.826 22.659 -2.840 1.00 0.41 H new ATOM 0 HA2 GLY A 44 6.500 22.392 -1.285 1.00 34.41 H new ATOM 0 HA3 GLY A 44 5.402 21.582 -0.184 1.00 34.41 H new ATOM 629 N VAL A 45 5.661 19.921 -2.840 1.00 63.42 N ATOM 630 CA VAL A 45 5.879 18.626 -3.415 1.00 45.42 C ATOM 631 C VAL A 45 6.657 18.735 -4.748 1.00 41.45 C ATOM 632 O VAL A 45 6.504 19.721 -5.499 1.00 33.34 O ATOM 633 CB VAL A 45 4.495 17.931 -3.628 1.00 50.10 C ATOM 634 CG1 VAL A 45 3.586 18.753 -4.524 1.00 72.33 C ATOM 635 CG2 VAL A 45 4.634 16.525 -4.159 1.00 23.54 C ATOM 0 H VAL A 45 5.041 20.511 -3.395 1.00 63.42 H new ATOM 0 HA VAL A 45 6.486 18.025 -2.738 1.00 45.42 H new ATOM 0 HB VAL A 45 4.032 17.864 -2.643 1.00 50.10 H new ATOM 0 HG11 VAL A 45 2.634 18.237 -4.648 1.00 72.33 H new ATOM 0 HG12 VAL A 45 3.413 19.729 -4.070 1.00 72.33 H new ATOM 0 HG13 VAL A 45 4.057 18.884 -5.498 1.00 72.33 H new ATOM 0 HG21 VAL A 45 3.645 16.086 -4.290 1.00 23.54 H new ATOM 0 HG22 VAL A 45 5.150 16.548 -5.119 1.00 23.54 H new ATOM 0 HG23 VAL A 45 5.207 15.924 -3.453 1.00 23.54 H new ATOM 645 N SER A 46 7.509 17.771 -4.994 1.00 13.32 N ATOM 646 CA SER A 46 8.267 17.653 -6.215 1.00 34.41 C ATOM 647 C SER A 46 7.484 16.771 -7.229 1.00 64.04 C ATOM 648 O SER A 46 6.276 16.507 -7.023 1.00 40.43 O ATOM 649 CB SER A 46 9.598 17.031 -5.826 1.00 34.04 C ATOM 650 OG SER A 46 9.379 15.984 -4.890 1.00 35.14 O ATOM 0 H SER A 46 7.700 17.022 -4.328 1.00 13.32 H new ATOM 0 HA SER A 46 8.432 18.615 -6.700 1.00 34.41 H new ATOM 0 HB2 SER A 46 10.102 16.642 -6.711 1.00 34.04 H new ATOM 0 HB3 SER A 46 10.252 17.788 -5.394 1.00 34.04 H new ATOM 0 HG SER A 46 9.812 15.165 -5.208 1.00 35.14 H new ATOM 656 N ARG A 47 8.115 16.329 -8.328 1.00 3.14 N ATOM 657 CA ARG A 47 7.380 15.466 -9.246 1.00 43.30 C ATOM 658 C ARG A 47 7.389 14.043 -8.713 1.00 31.44 C ATOM 659 O ARG A 47 6.430 13.289 -8.869 1.00 40.40 O ATOM 660 CB ARG A 47 7.858 15.541 -10.716 1.00 30.34 C ATOM 661 CG ARG A 47 9.074 14.728 -11.110 1.00 53.41 C ATOM 662 CD ARG A 47 9.317 14.852 -12.608 1.00 1.51 C ATOM 663 NE ARG A 47 10.055 13.712 -13.152 1.00 30.10 N ATOM 664 CZ ARG A 47 11.167 13.765 -13.883 1.00 73.15 C ATOM 665 NH1 ARG A 47 11.795 14.921 -14.084 1.00 22.44 N ATOM 666 NH2 ARG A 47 11.652 12.646 -14.409 1.00 11.21 N ATOM 0 H ARG A 47 9.078 16.543 -8.588 1.00 3.14 H new ATOM 0 HA ARG A 47 6.356 15.837 -9.284 1.00 43.30 H new ATOM 0 HB2 ARG A 47 7.029 15.232 -11.353 1.00 30.34 H new ATOM 0 HB3 ARG A 47 8.066 16.586 -10.947 1.00 30.34 H new ATOM 0 HG2 ARG A 47 9.949 15.076 -10.561 1.00 53.41 H new ATOM 0 HG3 ARG A 47 8.925 13.682 -10.842 1.00 53.41 H new ATOM 0 HD2 ARG A 47 8.360 14.940 -13.122 1.00 1.51 H new ATOM 0 HD3 ARG A 47 9.872 15.769 -12.808 1.00 1.51 H new ATOM 0 HE ARG A 47 9.681 12.785 -12.952 1.00 30.10 H new ATOM 0 HH11 ARG A 47 11.425 15.780 -13.676 1.00 22.44 H new ATOM 0 HH12 ARG A 47 12.646 14.948 -14.646 1.00 22.44 H new ATOM 0 HH21 ARG A 47 11.174 11.759 -14.251 1.00 11.21 H new ATOM 0 HH22 ARG A 47 12.503 12.674 -14.971 1.00 11.21 H new ATOM 680 N ARG A 48 8.481 13.701 -8.084 1.00 43.04 N ATOM 681 CA ARG A 48 8.618 12.481 -7.359 1.00 52.25 C ATOM 682 C ARG A 48 9.014 12.858 -5.970 1.00 3.14 C ATOM 683 O ARG A 48 10.154 13.248 -5.725 1.00 41.51 O ATOM 684 CB ARG A 48 9.642 11.518 -7.984 1.00 72.24 C ATOM 685 CG ARG A 48 9.230 10.972 -9.340 1.00 32.30 C ATOM 686 CD ARG A 48 10.147 9.847 -9.796 1.00 22.24 C ATOM 687 NE ARG A 48 11.506 10.295 -10.084 1.00 41.12 N ATOM 688 CZ ARG A 48 12.587 9.504 -10.060 1.00 44.31 C ATOM 689 NH1 ARG A 48 12.499 8.249 -9.634 1.00 32.13 N ATOM 690 NH2 ARG A 48 13.763 9.986 -10.436 1.00 62.14 N ATOM 0 H ARG A 48 9.318 14.283 -8.065 1.00 43.04 H new ATOM 0 HA ARG A 48 7.674 11.936 -7.377 1.00 52.25 H new ATOM 0 HB2 ARG A 48 10.596 12.035 -8.087 1.00 72.24 H new ATOM 0 HB3 ARG A 48 9.804 10.683 -7.302 1.00 72.24 H new ATOM 0 HG2 ARG A 48 8.204 10.607 -9.289 1.00 32.30 H new ATOM 0 HG3 ARG A 48 9.246 11.776 -10.076 1.00 32.30 H new ATOM 0 HD2 ARG A 48 10.181 9.078 -9.024 1.00 22.24 H new ATOM 0 HD3 ARG A 48 9.727 9.384 -10.689 1.00 22.24 H new ATOM 0 HE ARG A 48 11.642 11.278 -10.320 1.00 41.12 H new ATOM 0 HH11 ARG A 48 11.602 7.878 -9.321 1.00 32.13 H new ATOM 0 HH12 ARG A 48 13.329 7.656 -9.620 1.00 32.13 H new ATOM 0 HH21 ARG A 48 13.842 10.956 -10.742 1.00 62.14 H new ATOM 0 HH22 ARG A 48 14.589 9.387 -10.419 1.00 62.14 H new ATOM 704 N HIS A 49 8.051 12.841 -5.098 1.00 13.15 N ATOM 705 CA HIS A 49 8.237 13.251 -3.719 1.00 21.41 C ATOM 706 C HIS A 49 8.380 12.040 -2.846 1.00 15.11 C ATOM 707 O HIS A 49 9.115 12.043 -1.871 1.00 10.11 O ATOM 708 CB HIS A 49 7.027 14.108 -3.276 1.00 32.14 C ATOM 709 CG HIS A 49 7.014 14.529 -1.824 1.00 11.03 C ATOM 710 ND1 HIS A 49 7.451 15.765 -1.426 1.00 10.11 N ATOM 711 CD2 HIS A 49 6.579 13.842 -0.738 1.00 11.15 C ATOM 712 CE1 HIS A 49 7.270 15.793 -0.108 1.00 64.42 C ATOM 713 NE2 HIS A 49 6.749 14.651 0.341 1.00 54.34 N ATOM 0 H HIS A 49 7.101 12.541 -5.316 1.00 13.15 H new ATOM 0 HA HIS A 49 9.144 13.848 -3.627 1.00 21.41 H new ATOM 0 HB2 HIS A 49 6.995 15.005 -3.895 1.00 32.14 H new ATOM 0 HB3 HIS A 49 6.115 13.547 -3.480 1.00 32.14 H new ATOM 0 HD2 HIS A 49 6.174 12.841 -0.732 1.00 11.15 H new ATOM 0 HE1 HIS A 49 7.515 16.637 0.520 1.00 64.42 H new ATOM 0 HE2 HIS A 49 6.521 14.427 1.310 1.00 54.34 H new ATOM 721 N LEU A 50 7.680 11.003 -3.201 1.00 51.20 N ATOM 722 CA LEU A 50 7.674 9.812 -2.428 1.00 35.22 C ATOM 723 C LEU A 50 7.158 8.676 -3.279 1.00 54.21 C ATOM 724 O LEU A 50 6.360 8.894 -4.194 1.00 22.31 O ATOM 725 CB LEU A 50 6.821 10.063 -1.152 1.00 63.23 C ATOM 726 CG LEU A 50 6.601 8.911 -0.170 1.00 12.41 C ATOM 727 CD1 LEU A 50 6.348 9.483 1.214 1.00 22.34 C ATOM 728 CD2 LEU A 50 5.386 8.104 -0.586 1.00 22.41 C ATOM 0 H LEU A 50 7.098 10.967 -4.038 1.00 51.20 H new ATOM 0 HA LEU A 50 8.676 9.532 -2.103 1.00 35.22 H new ATOM 0 HB2 LEU A 50 7.285 10.881 -0.601 1.00 63.23 H new ATOM 0 HB3 LEU A 50 5.840 10.412 -1.475 1.00 63.23 H new ATOM 0 HG LEU A 50 7.483 8.271 -0.165 1.00 12.41 H new ATOM 0 HD11 LEU A 50 6.190 8.669 1.921 1.00 22.34 H new ATOM 0 HD12 LEU A 50 7.209 10.073 1.527 1.00 22.34 H new ATOM 0 HD13 LEU A 50 5.463 10.118 1.189 1.00 22.34 H new ATOM 0 HD21 LEU A 50 5.235 7.285 0.117 1.00 22.41 H new ATOM 0 HD22 LEU A 50 4.506 8.747 -0.589 1.00 22.41 H new ATOM 0 HD23 LEU A 50 5.543 7.699 -1.586 1.00 22.41 H new ATOM 740 N GLU A 51 7.643 7.500 -3.023 1.00 45.30 N ATOM 741 CA GLU A 51 7.191 6.317 -3.715 1.00 53.12 C ATOM 742 C GLU A 51 6.855 5.239 -2.718 1.00 3.45 C ATOM 743 O GLU A 51 7.532 5.077 -1.693 1.00 43.24 O ATOM 744 CB GLU A 51 8.233 5.789 -4.715 1.00 21.31 C ATOM 745 CG GLU A 51 9.620 5.611 -4.119 1.00 22.35 C ATOM 746 CD GLU A 51 10.552 4.808 -4.987 1.00 75.55 C ATOM 747 OE1 GLU A 51 11.075 5.331 -5.987 1.00 62.13 O ATOM 748 OE2 GLU A 51 10.824 3.641 -4.652 1.00 35.42 O ATOM 0 H GLU A 51 8.367 7.326 -2.326 1.00 45.30 H new ATOM 0 HA GLU A 51 6.303 6.594 -4.283 1.00 53.12 H new ATOM 0 HB2 GLU A 51 7.892 4.832 -5.110 1.00 21.31 H new ATOM 0 HB3 GLU A 51 8.295 6.477 -5.558 1.00 21.31 H new ATOM 0 HG2 GLU A 51 10.058 6.593 -3.941 1.00 22.35 H new ATOM 0 HG3 GLU A 51 9.529 5.122 -3.149 1.00 22.35 H new ATOM 755 N ILE A 52 5.800 4.546 -2.973 1.00 41.33 N ATOM 756 CA ILE A 52 5.433 3.439 -2.155 1.00 14.04 C ATOM 757 C ILE A 52 5.549 2.176 -2.961 1.00 74.13 C ATOM 758 O ILE A 52 4.821 1.992 -3.931 1.00 4.24 O ATOM 759 CB ILE A 52 4.001 3.554 -1.603 1.00 62.20 C ATOM 760 CG1 ILE A 52 3.850 4.840 -0.778 1.00 64.12 C ATOM 761 CG2 ILE A 52 3.706 2.326 -0.754 1.00 13.15 C ATOM 762 CD1 ILE A 52 2.456 5.090 -0.242 1.00 45.12 C ATOM 0 H ILE A 52 5.167 4.729 -3.752 1.00 41.33 H new ATOM 0 HA ILE A 52 6.110 3.426 -1.301 1.00 14.04 H new ATOM 0 HB ILE A 52 3.288 3.603 -2.426 1.00 62.20 H new ATOM 0 HG12 ILE A 52 4.545 4.801 0.061 1.00 64.12 H new ATOM 0 HG13 ILE A 52 4.144 5.688 -1.396 1.00 64.12 H new ATOM 0 HG21 ILE A 52 2.694 2.394 -0.356 1.00 13.15 H new ATOM 0 HG22 ILE A 52 3.795 1.429 -1.367 1.00 13.15 H new ATOM 0 HG23 ILE A 52 4.417 2.274 0.070 1.00 13.15 H new ATOM 0 HD11 ILE A 52 2.446 6.020 0.327 1.00 45.12 H new ATOM 0 HD12 ILE A 52 1.755 5.166 -1.073 1.00 45.12 H new ATOM 0 HD13 ILE A 52 2.162 4.265 0.406 1.00 45.12 H new ATOM 774 N ARG A 53 6.460 1.329 -2.598 1.00 63.44 N ATOM 775 CA ARG A 53 6.609 0.084 -3.287 1.00 33.53 C ATOM 776 C ARG A 53 5.762 -0.940 -2.581 1.00 2.54 C ATOM 777 O ARG A 53 6.083 -1.381 -1.461 1.00 34.13 O ATOM 778 CB ARG A 53 8.069 -0.354 -3.343 1.00 61.22 C ATOM 779 CG ARG A 53 8.996 0.666 -3.975 1.00 45.22 C ATOM 780 CD ARG A 53 10.393 0.112 -4.117 1.00 3.25 C ATOM 781 NE ARG A 53 11.308 1.053 -4.755 1.00 41.35 N ATOM 782 CZ ARG A 53 12.455 0.715 -5.349 1.00 64.32 C ATOM 783 NH1 ARG A 53 12.815 -0.572 -5.418 1.00 21.45 N ATOM 784 NH2 ARG A 53 13.230 1.658 -5.879 1.00 11.13 N ATOM 0 H ARG A 53 7.113 1.476 -1.828 1.00 63.44 H new ATOM 0 HA ARG A 53 6.281 0.194 -4.321 1.00 33.53 H new ATOM 0 HB2 ARG A 53 8.413 -0.564 -2.330 1.00 61.22 H new ATOM 0 HB3 ARG A 53 8.136 -1.287 -3.903 1.00 61.22 H new ATOM 0 HG2 ARG A 53 8.613 0.953 -4.954 1.00 45.22 H new ATOM 0 HG3 ARG A 53 9.019 1.569 -3.365 1.00 45.22 H new ATOM 0 HD2 ARG A 53 10.777 -0.151 -3.132 1.00 3.25 H new ATOM 0 HD3 ARG A 53 10.358 -0.807 -4.701 1.00 3.25 H new ATOM 0 HE ARG A 53 11.053 2.041 -4.747 1.00 41.35 H new ATOM 0 HH11 ARG A 53 12.214 -1.292 -5.017 1.00 21.45 H new ATOM 0 HH12 ARG A 53 13.691 -0.833 -5.871 1.00 21.45 H new ATOM 0 HH21 ARG A 53 12.947 2.637 -5.831 1.00 11.13 H new ATOM 0 HH22 ARG A 53 14.107 1.402 -6.333 1.00 11.13 H new ATOM 798 N TRP A 54 4.683 -1.299 -3.199 1.00 2.55 N ATOM 799 CA TRP A 54 3.749 -2.195 -2.607 1.00 65.10 C ATOM 800 C TRP A 54 3.875 -3.592 -3.195 1.00 52.40 C ATOM 801 O TRP A 54 3.869 -3.780 -4.425 1.00 71.33 O ATOM 802 CB TRP A 54 2.302 -1.631 -2.715 1.00 1.31 C ATOM 803 CG TRP A 54 1.219 -2.588 -2.243 1.00 42.44 C ATOM 804 CD1 TRP A 54 0.158 -3.047 -2.961 1.00 1.10 C ATOM 805 CD2 TRP A 54 1.128 -3.224 -0.964 1.00 2.40 C ATOM 806 NE1 TRP A 54 -0.583 -3.929 -2.200 1.00 53.33 N ATOM 807 CE2 TRP A 54 -0.005 -4.055 -0.980 1.00 42.42 C ATOM 808 CE3 TRP A 54 1.892 -3.171 0.185 1.00 15.11 C ATOM 809 CZ2 TRP A 54 -0.374 -4.828 0.113 1.00 64.25 C ATOM 810 CZ3 TRP A 54 1.525 -3.935 1.266 1.00 73.33 C ATOM 811 CH2 TRP A 54 0.408 -4.749 1.221 1.00 72.15 C ATOM 0 H TRP A 54 4.426 -0.977 -4.132 1.00 2.55 H new ATOM 0 HA TRP A 54 3.981 -2.284 -1.546 1.00 65.10 H new ATOM 0 HB2 TRP A 54 2.238 -0.713 -2.131 1.00 1.31 H new ATOM 0 HB3 TRP A 54 2.106 -1.363 -3.753 1.00 1.31 H new ATOM 0 HD1 TRP A 54 -0.071 -2.763 -3.977 1.00 1.10 H new ATOM 0 HE1 TRP A 54 -1.429 -4.409 -2.506 1.00 53.33 H new ATOM 0 HE3 TRP A 54 2.766 -2.538 0.233 1.00 15.11 H new ATOM 0 HZ2 TRP A 54 -1.246 -5.465 0.083 1.00 64.25 H new ATOM 0 HZ3 TRP A 54 2.119 -3.899 2.167 1.00 73.33 H new ATOM 0 HH2 TRP A 54 0.151 -5.337 2.089 1.00 72.15 H new ATOM 822 N ASP A 55 4.032 -4.546 -2.316 1.00 34.35 N ATOM 823 CA ASP A 55 4.090 -5.951 -2.654 1.00 12.14 C ATOM 824 C ASP A 55 3.075 -6.624 -1.753 1.00 30.32 C ATOM 825 O ASP A 55 2.700 -6.037 -0.757 1.00 20.52 O ATOM 826 CB ASP A 55 5.500 -6.522 -2.410 1.00 35.34 C ATOM 827 CG ASP A 55 5.645 -7.956 -2.880 1.00 53.04 C ATOM 828 OD1 ASP A 55 5.383 -8.876 -2.104 1.00 22.03 O ATOM 829 OD2 ASP A 55 6.003 -8.183 -4.051 1.00 12.44 O ATOM 0 H ASP A 55 4.126 -4.366 -1.316 1.00 34.35 H new ATOM 0 HA ASP A 55 3.871 -6.118 -3.709 1.00 12.14 H new ATOM 0 HB2 ASP A 55 6.232 -5.900 -2.925 1.00 35.34 H new ATOM 0 HB3 ASP A 55 5.729 -6.469 -1.346 1.00 35.34 H new ATOM 834 N GLY A 56 2.662 -7.829 -2.059 1.00 34.33 N ATOM 835 CA GLY A 56 1.575 -8.478 -1.334 1.00 14.04 C ATOM 836 C GLY A 56 1.900 -8.971 0.082 1.00 44.41 C ATOM 837 O GLY A 56 1.618 -10.129 0.408 1.00 30.12 O ATOM 0 H GLY A 56 3.060 -8.392 -2.811 1.00 34.33 H new ATOM 0 HA2 GLY A 56 0.741 -7.779 -1.270 1.00 14.04 H new ATOM 0 HA3 GLY A 56 1.232 -9.329 -1.922 1.00 14.04 H new ATOM 841 N GLN A 57 2.462 -8.103 0.913 1.00 45.22 N ATOM 842 CA GLN A 57 2.727 -8.401 2.311 1.00 63.51 C ATOM 843 C GLN A 57 3.247 -7.129 2.990 1.00 21.40 C ATOM 844 O GLN A 57 2.615 -6.596 3.889 1.00 61.24 O ATOM 845 CB GLN A 57 3.757 -9.546 2.474 1.00 42.15 C ATOM 846 CG GLN A 57 3.569 -10.427 3.723 1.00 62.22 C ATOM 847 CD GLN A 57 3.531 -9.658 5.030 1.00 30.35 C ATOM 848 OE1 GLN A 57 4.553 -9.413 5.653 1.00 11.30 O ATOM 849 NE2 GLN A 57 2.350 -9.297 5.467 1.00 75.42 N ATOM 0 H GLN A 57 2.748 -7.165 0.632 1.00 45.22 H new ATOM 0 HA GLN A 57 1.800 -8.734 2.777 1.00 63.51 H new ATOM 0 HB2 GLN A 57 3.711 -10.182 1.590 1.00 42.15 H new ATOM 0 HB3 GLN A 57 4.757 -9.112 2.503 1.00 42.15 H new ATOM 0 HG2 GLN A 57 2.642 -10.990 3.619 1.00 62.22 H new ATOM 0 HG3 GLN A 57 4.380 -11.154 3.766 1.00 62.22 H new ATOM 0 HE21 GLN A 57 1.516 -9.517 4.923 1.00 75.42 H new ATOM 0 HE22 GLN A 57 2.265 -8.796 6.351 1.00 75.42 H new ATOM 858 N VAL A 58 4.386 -6.640 2.536 1.00 10.31 N ATOM 859 CA VAL A 58 4.985 -5.460 3.140 1.00 14.02 C ATOM 860 C VAL A 58 4.958 -4.259 2.204 1.00 41.23 C ATOM 861 O VAL A 58 5.184 -4.381 0.981 1.00 53.20 O ATOM 862 CB VAL A 58 6.439 -5.707 3.655 1.00 22.20 C ATOM 863 CG1 VAL A 58 6.443 -6.697 4.808 1.00 5.05 C ATOM 864 CG2 VAL A 58 7.354 -6.199 2.533 1.00 71.14 C ATOM 0 H VAL A 58 4.913 -7.036 1.758 1.00 10.31 H new ATOM 0 HA VAL A 58 4.364 -5.236 4.007 1.00 14.02 H new ATOM 0 HB VAL A 58 6.825 -4.752 4.012 1.00 22.20 H new ATOM 0 HG11 VAL A 58 7.466 -6.853 5.150 1.00 5.05 H new ATOM 0 HG12 VAL A 58 5.843 -6.303 5.628 1.00 5.05 H new ATOM 0 HG13 VAL A 58 6.023 -7.646 4.474 1.00 5.05 H new ATOM 0 HG21 VAL A 58 8.358 -6.361 2.926 1.00 71.14 H new ATOM 0 HG22 VAL A 58 6.966 -7.135 2.132 1.00 71.14 H new ATOM 0 HG23 VAL A 58 7.391 -5.452 1.740 1.00 71.14 H new ATOM 874 N ALA A 59 4.657 -3.119 2.765 1.00 25.31 N ATOM 875 CA ALA A 59 4.615 -1.884 2.033 1.00 72.22 C ATOM 876 C ALA A 59 5.834 -1.061 2.333 1.00 31.34 C ATOM 877 O ALA A 59 6.028 -0.591 3.458 1.00 54.14 O ATOM 878 CB ALA A 59 3.380 -1.109 2.382 1.00 4.13 C ATOM 0 H ALA A 59 4.432 -3.022 3.755 1.00 25.31 H new ATOM 0 HA ALA A 59 4.595 -2.116 0.968 1.00 72.22 H new ATOM 0 HB1 ALA A 59 3.364 -0.176 1.818 1.00 4.13 H new ATOM 0 HB2 ALA A 59 2.498 -1.699 2.132 1.00 4.13 H new ATOM 0 HB3 ALA A 59 3.379 -0.888 3.449 1.00 4.13 H new ATOM 884 N LEU A 60 6.638 -0.882 1.339 1.00 23.25 N ATOM 885 CA LEU A 60 7.854 -0.147 1.459 1.00 54.13 C ATOM 886 C LEU A 60 7.576 1.310 1.123 1.00 70.44 C ATOM 887 O LEU A 60 7.266 1.653 -0.016 1.00 12.02 O ATOM 888 CB LEU A 60 8.901 -0.787 0.518 1.00 24.21 C ATOM 889 CG LEU A 60 10.360 -0.265 0.509 1.00 23.50 C ATOM 890 CD1 LEU A 60 11.206 -1.234 -0.279 1.00 51.51 C ATOM 891 CD2 LEU A 60 10.481 1.112 -0.131 1.00 15.53 C ATOM 0 H LEU A 60 6.466 -1.249 0.403 1.00 23.25 H new ATOM 0 HA LEU A 60 8.252 -0.179 2.473 1.00 54.13 H new ATOM 0 HB2 LEU A 60 8.939 -1.851 0.752 1.00 24.21 H new ATOM 0 HB3 LEU A 60 8.519 -0.698 -0.499 1.00 24.21 H new ATOM 0 HG LEU A 60 10.693 -0.182 1.544 1.00 23.50 H new ATOM 0 HD11 LEU A 60 12.238 -0.884 -0.297 1.00 51.51 H new ATOM 0 HD12 LEU A 60 11.164 -2.217 0.189 1.00 51.51 H new ATOM 0 HD13 LEU A 60 10.828 -1.301 -1.299 1.00 51.51 H new ATOM 0 HD21 LEU A 60 11.523 1.432 -0.112 1.00 15.53 H new ATOM 0 HD22 LEU A 60 10.135 1.065 -1.163 1.00 15.53 H new ATOM 0 HD23 LEU A 60 9.872 1.826 0.424 1.00 15.53 H new ATOM 903 N LEU A 61 7.640 2.125 2.114 1.00 4.34 N ATOM 904 CA LEU A 61 7.452 3.540 1.993 1.00 13.04 C ATOM 905 C LEU A 61 8.822 4.162 1.830 1.00 31.23 C ATOM 906 O LEU A 61 9.691 3.958 2.670 1.00 63.42 O ATOM 907 CB LEU A 61 6.734 4.035 3.288 1.00 24.40 C ATOM 908 CG LEU A 61 6.353 5.536 3.463 1.00 75.11 C ATOM 909 CD1 LEU A 61 7.558 6.457 3.645 1.00 20.23 C ATOM 910 CD2 LEU A 61 5.494 5.998 2.311 1.00 72.33 C ATOM 0 H LEU A 61 7.831 1.822 3.069 1.00 4.34 H new ATOM 0 HA LEU A 61 6.839 3.816 1.135 1.00 13.04 H new ATOM 0 HB2 LEU A 61 5.815 3.457 3.386 1.00 24.40 H new ATOM 0 HB3 LEU A 61 7.371 3.766 4.131 1.00 24.40 H new ATOM 0 HG LEU A 61 5.784 5.602 4.390 1.00 75.11 H new ATOM 0 HD11 LEU A 61 7.216 7.485 3.761 1.00 20.23 H new ATOM 0 HD12 LEU A 61 8.114 6.157 4.533 1.00 20.23 H new ATOM 0 HD13 LEU A 61 8.205 6.386 2.771 1.00 20.23 H new ATOM 0 HD21 LEU A 61 5.236 7.048 2.448 1.00 72.33 H new ATOM 0 HD22 LEU A 61 6.043 5.878 1.377 1.00 72.33 H new ATOM 0 HD23 LEU A 61 4.582 5.402 2.275 1.00 72.33 H new ATOM 922 N ALA A 62 9.032 4.870 0.754 1.00 12.21 N ATOM 923 CA ALA A 62 10.292 5.523 0.528 1.00 62.13 C ATOM 924 C ALA A 62 10.075 6.972 0.158 1.00 3.31 C ATOM 925 O ALA A 62 9.403 7.286 -0.832 1.00 61.12 O ATOM 926 CB ALA A 62 11.093 4.806 -0.546 1.00 51.10 C ATOM 0 H ALA A 62 8.342 5.010 0.016 1.00 12.21 H new ATOM 0 HA ALA A 62 10.867 5.485 1.453 1.00 62.13 H new ATOM 0 HB1 ALA A 62 12.042 5.321 -0.697 1.00 51.10 H new ATOM 0 HB2 ALA A 62 11.283 3.779 -0.233 1.00 51.10 H new ATOM 0 HB3 ALA A 62 10.529 4.803 -1.479 1.00 51.10 H new ATOM 932 N ASP A 63 10.626 7.838 0.950 1.00 72.45 N ATOM 933 CA ASP A 63 10.527 9.268 0.730 1.00 42.44 C ATOM 934 C ASP A 63 11.610 9.693 -0.251 1.00 21.43 C ATOM 935 O ASP A 63 12.759 9.206 -0.170 1.00 61.35 O ATOM 936 CB ASP A 63 10.643 10.012 2.065 1.00 0.25 C ATOM 937 CG ASP A 63 10.730 11.507 1.909 1.00 22.53 C ATOM 938 OD1 ASP A 63 9.685 12.181 1.857 1.00 2.12 O ATOM 939 OD2 ASP A 63 11.850 12.024 1.878 1.00 40.51 O ATOM 0 H ASP A 63 11.164 7.582 1.778 1.00 72.45 H new ATOM 0 HA ASP A 63 9.557 9.519 0.301 1.00 42.44 H new ATOM 0 HB2 ASP A 63 9.780 9.768 2.685 1.00 0.25 H new ATOM 0 HB3 ASP A 63 11.527 9.657 2.595 1.00 0.25 H new ATOM 944 N LEU A 64 11.266 10.561 -1.180 1.00 5.41 N ATOM 945 CA LEU A 64 12.180 10.952 -2.230 1.00 53.21 C ATOM 946 C LEU A 64 12.363 12.490 -2.205 1.00 20.22 C ATOM 947 O LEU A 64 11.753 13.199 -3.001 1.00 4.30 O ATOM 948 CB LEU A 64 11.551 10.484 -3.592 1.00 12.33 C ATOM 949 CG LEU A 64 12.427 10.325 -4.872 1.00 73.22 C ATOM 950 CD1 LEU A 64 13.151 11.594 -5.298 1.00 71.23 C ATOM 951 CD2 LEU A 64 13.385 9.154 -4.750 1.00 72.10 C ATOM 0 H LEU A 64 10.352 11.012 -1.228 1.00 5.41 H new ATOM 0 HA LEU A 64 13.161 10.496 -2.097 1.00 53.21 H new ATOM 0 HB2 LEU A 64 11.076 9.520 -3.409 1.00 12.33 H new ATOM 0 HB3 LEU A 64 10.757 11.190 -3.835 1.00 12.33 H new ATOM 0 HG LEU A 64 11.722 10.112 -5.676 1.00 73.22 H new ATOM 0 HD11 LEU A 64 13.737 11.395 -6.196 1.00 71.23 H new ATOM 0 HD12 LEU A 64 12.421 12.376 -5.507 1.00 71.23 H new ATOM 0 HD13 LEU A 64 13.814 11.921 -4.497 1.00 71.23 H new ATOM 0 HD21 LEU A 64 13.979 9.074 -5.660 1.00 72.10 H new ATOM 0 HD22 LEU A 64 14.046 9.312 -3.898 1.00 72.10 H new ATOM 0 HD23 LEU A 64 12.819 8.234 -4.604 1.00 72.10 H new ATOM 963 N ASN A 65 13.164 12.970 -1.238 1.00 73.44 N ATOM 964 CA ASN A 65 13.611 14.385 -1.095 1.00 12.21 C ATOM 965 C ASN A 65 14.088 14.628 0.328 1.00 14.43 C ATOM 966 O ASN A 65 13.653 13.988 1.242 1.00 52.24 O ATOM 967 CB ASN A 65 12.541 15.470 -1.438 1.00 3.02 C ATOM 968 CG ASN A 65 11.361 15.613 -0.466 1.00 63.45 C ATOM 969 OD1 ASN A 65 10.873 16.720 -0.274 1.00 45.13 O ATOM 970 ND2 ASN A 65 10.902 14.545 0.130 1.00 21.53 N ATOM 0 H ASN A 65 13.537 12.369 -0.503 1.00 73.44 H new ATOM 0 HA ASN A 65 14.407 14.497 -1.831 1.00 12.21 H new ATOM 0 HB2 ASN A 65 13.045 16.434 -1.504 1.00 3.02 H new ATOM 0 HB3 ASN A 65 12.141 15.251 -2.428 1.00 3.02 H new ATOM 0 HD21 ASN A 65 10.116 14.619 0.776 1.00 21.53 H new ATOM 0 HD22 ASN A 65 11.330 13.637 -0.050 1.00 21.53 H new ATOM 977 N SER A 66 14.984 15.537 0.507 1.00 21.31 N ATOM 978 CA SER A 66 15.441 15.853 1.836 1.00 34.00 C ATOM 979 C SER A 66 14.820 17.186 2.296 1.00 54.00 C ATOM 980 O SER A 66 14.857 17.542 3.487 1.00 10.32 O ATOM 981 CB SER A 66 16.978 15.896 1.863 1.00 72.21 C ATOM 982 OG SER A 66 17.496 16.035 3.185 1.00 61.22 O ATOM 0 H SER A 66 15.419 16.078 -0.240 1.00 21.31 H new ATOM 0 HA SER A 66 15.120 15.079 2.533 1.00 34.00 H new ATOM 0 HB2 SER A 66 17.372 14.983 1.416 1.00 72.21 H new ATOM 0 HB3 SER A 66 17.326 16.727 1.250 1.00 72.21 H new ATOM 0 HG SER A 66 18.475 16.056 3.152 1.00 61.22 H new ATOM 988 N THR A 67 14.227 17.896 1.353 1.00 40.15 N ATOM 989 CA THR A 67 13.657 19.197 1.595 1.00 32.35 C ATOM 990 C THR A 67 12.349 19.104 2.415 1.00 44.21 C ATOM 991 O THR A 67 12.299 19.526 3.565 1.00 25.41 O ATOM 992 CB THR A 67 13.374 19.865 0.246 1.00 5.01 C ATOM 993 OG1 THR A 67 14.510 19.653 -0.614 1.00 11.14 O ATOM 994 CG2 THR A 67 13.148 21.357 0.420 1.00 43.13 C ATOM 0 H THR A 67 14.130 17.577 0.389 1.00 40.15 H new ATOM 0 HA THR A 67 14.367 19.786 2.175 1.00 32.35 H new ATOM 0 HB THR A 67 12.474 19.430 -0.189 1.00 5.01 H new ATOM 0 HG1 THR A 67 14.345 20.073 -1.484 1.00 11.14 H new ATOM 0 HG21 THR A 67 12.949 21.811 -0.551 1.00 43.13 H new ATOM 0 HG22 THR A 67 12.295 21.521 1.079 1.00 43.13 H new ATOM 0 HG23 THR A 67 14.037 21.811 0.857 1.00 43.13 H new ATOM 1002 N ASN A 68 11.338 18.484 1.843 1.00 60.14 N ATOM 1003 CA ASN A 68 10.010 18.381 2.459 1.00 24.45 C ATOM 1004 C ASN A 68 9.821 16.935 2.937 1.00 34.13 C ATOM 1005 O ASN A 68 8.716 16.433 3.017 1.00 61.43 O ATOM 1006 CB ASN A 68 8.932 18.791 1.416 1.00 2.23 C ATOM 1007 CG ASN A 68 7.514 19.008 1.988 1.00 71.52 C ATOM 1008 OD1 ASN A 68 6.711 18.091 2.090 1.00 73.32 O ATOM 1009 ND2 ASN A 68 7.193 20.235 2.325 1.00 55.24 N ATOM 0 H ASN A 68 11.404 18.031 0.932 1.00 60.14 H new ATOM 0 HA ASN A 68 9.913 19.049 3.315 1.00 24.45 H new ATOM 0 HB2 ASN A 68 9.254 19.710 0.927 1.00 2.23 H new ATOM 0 HB3 ASN A 68 8.882 18.021 0.646 1.00 2.23 H new ATOM 0 HD21 ASN A 68 6.259 20.439 2.680 1.00 55.24 H new ATOM 0 HD22 ASN A 68 7.878 20.985 2.232 1.00 55.24 H new ATOM 1016 N GLY A 69 10.968 16.302 3.273 1.00 52.22 N ATOM 1017 CA GLY A 69 11.034 14.891 3.676 1.00 3.04 C ATOM 1018 C GLY A 69 9.925 14.488 4.624 1.00 74.14 C ATOM 1019 O GLY A 69 9.761 15.068 5.718 1.00 53.42 O ATOM 0 H GLY A 69 11.877 16.765 3.270 1.00 52.22 H new ATOM 0 HA2 GLY A 69 10.988 14.263 2.786 1.00 3.04 H new ATOM 0 HA3 GLY A 69 11.996 14.700 4.151 1.00 3.04 H new ATOM 1023 N THR A 70 9.180 13.534 4.183 1.00 45.12 N ATOM 1024 CA THR A 70 7.987 13.077 4.809 1.00 53.03 C ATOM 1025 C THR A 70 8.268 12.323 6.138 1.00 75.33 C ATOM 1026 O THR A 70 9.269 11.597 6.280 1.00 71.21 O ATOM 1027 CB THR A 70 7.254 12.170 3.805 1.00 72.03 C ATOM 1028 OG1 THR A 70 7.255 12.816 2.514 1.00 64.13 O ATOM 1029 CG2 THR A 70 5.828 11.950 4.214 1.00 12.52 C ATOM 0 H THR A 70 9.399 13.023 3.328 1.00 45.12 H new ATOM 0 HA THR A 70 7.369 13.934 5.079 1.00 53.03 H new ATOM 0 HB THR A 70 7.766 11.208 3.772 1.00 72.03 H new ATOM 0 HG1 THR A 70 7.969 12.437 1.959 1.00 64.13 H new ATOM 0 HG21 THR A 70 5.336 11.306 3.486 1.00 12.52 H new ATOM 0 HG22 THR A 70 5.800 11.476 5.195 1.00 12.52 H new ATOM 0 HG23 THR A 70 5.310 12.908 4.259 1.00 12.52 H new ATOM 1037 N THR A 71 7.399 12.525 7.099 1.00 2.33 N ATOM 1038 CA THR A 71 7.503 11.898 8.379 1.00 21.44 C ATOM 1039 C THR A 71 6.483 10.780 8.530 1.00 45.52 C ATOM 1040 O THR A 71 5.363 10.898 8.071 1.00 65.11 O ATOM 1041 CB THR A 71 7.302 12.925 9.512 1.00 61.20 C ATOM 1042 OG1 THR A 71 6.176 13.778 9.250 1.00 24.30 O ATOM 1043 CG2 THR A 71 8.535 13.752 9.734 1.00 41.24 C ATOM 0 H THR A 71 6.591 13.140 7.005 1.00 2.33 H new ATOM 0 HA THR A 71 8.505 11.474 8.450 1.00 21.44 H new ATOM 0 HB THR A 71 7.103 12.359 10.422 1.00 61.20 H new ATOM 0 HG1 THR A 71 6.072 14.417 9.985 1.00 24.30 H new ATOM 0 HG21 THR A 71 8.355 14.464 10.539 1.00 41.24 H new ATOM 0 HG22 THR A 71 9.366 13.101 10.004 1.00 41.24 H new ATOM 0 HG23 THR A 71 8.780 14.293 8.820 1.00 41.24 H new ATOM 1051 N VAL A 72 6.886 9.709 9.155 1.00 31.14 N ATOM 1052 CA VAL A 72 6.007 8.596 9.458 1.00 33.03 C ATOM 1053 C VAL A 72 5.899 8.525 10.977 1.00 25.05 C ATOM 1054 O VAL A 72 6.922 8.538 11.677 1.00 41.44 O ATOM 1055 CB VAL A 72 6.543 7.268 8.861 1.00 24.33 C ATOM 1056 CG1 VAL A 72 6.611 7.380 7.342 1.00 51.04 C ATOM 1057 CG2 VAL A 72 7.925 6.940 9.410 1.00 33.21 C ATOM 0 H VAL A 72 7.845 9.575 9.476 1.00 31.14 H new ATOM 0 HA VAL A 72 5.025 8.747 9.009 1.00 33.03 H new ATOM 0 HB VAL A 72 5.861 6.466 9.143 1.00 24.33 H new ATOM 0 HG11 VAL A 72 6.988 6.446 6.925 1.00 51.04 H new ATOM 0 HG12 VAL A 72 5.615 7.578 6.947 1.00 51.04 H new ATOM 0 HG13 VAL A 72 7.279 8.196 7.067 1.00 51.04 H new ATOM 0 HG21 VAL A 72 8.277 6.004 8.975 1.00 33.21 H new ATOM 0 HG22 VAL A 72 8.618 7.742 9.155 1.00 33.21 H new ATOM 0 HG23 VAL A 72 7.871 6.839 10.494 1.00 33.21 H new ATOM 1067 N ASN A 73 4.684 8.578 11.496 1.00 20.51 N ATOM 1068 CA ASN A 73 4.440 8.718 12.953 1.00 44.42 C ATOM 1069 C ASN A 73 5.110 10.013 13.465 1.00 23.52 C ATOM 1070 O ASN A 73 5.415 10.142 14.651 1.00 41.22 O ATOM 1071 CB ASN A 73 4.961 7.526 13.814 1.00 42.11 C ATOM 1072 CG ASN A 73 4.165 6.214 13.766 1.00 0.21 C ATOM 1073 OD1 ASN A 73 4.057 5.520 14.790 1.00 22.12 O ATOM 1074 ND2 ASN A 73 3.666 5.814 12.635 1.00 75.03 N ATOM 0 H ASN A 73 3.832 8.527 10.937 1.00 20.51 H new ATOM 0 HA ASN A 73 3.356 8.742 13.068 1.00 44.42 H new ATOM 0 HB2 ASN A 73 5.984 7.310 13.505 1.00 42.11 H new ATOM 0 HB3 ASN A 73 5.004 7.855 14.852 1.00 42.11 H new ATOM 0 HD21 ASN A 73 3.178 4.920 12.581 1.00 75.03 H new ATOM 0 HD22 ASN A 73 3.762 6.394 11.802 1.00 75.03 H new ATOM 1081 N ASN A 74 5.311 10.966 12.537 1.00 64.21 N ATOM 1082 CA ASN A 74 5.976 12.269 12.765 1.00 62.51 C ATOM 1083 C ASN A 74 7.523 12.111 12.907 1.00 63.13 C ATOM 1084 O ASN A 74 8.243 13.025 13.336 1.00 61.42 O ATOM 1085 CB ASN A 74 5.354 13.066 13.946 1.00 3.25 C ATOM 1086 CG ASN A 74 5.830 14.515 13.991 1.00 15.12 C ATOM 1087 OD1 ASN A 74 6.164 15.100 12.964 1.00 33.12 O ATOM 1088 ND2 ASN A 74 5.847 15.099 15.159 1.00 72.30 N ATOM 0 H ASN A 74 5.005 10.849 11.571 1.00 64.21 H new ATOM 0 HA ASN A 74 5.795 12.869 11.873 1.00 62.51 H new ATOM 0 HB2 ASN A 74 4.268 13.047 13.860 1.00 3.25 H new ATOM 0 HB3 ASN A 74 5.608 12.575 14.885 1.00 3.25 H new ATOM 0 HD21 ASN A 74 6.144 16.071 15.239 1.00 72.30 H new ATOM 0 HD22 ASN A 74 5.563 14.583 15.992 1.00 72.30 H new ATOM 1095 N ALA A 75 8.036 10.966 12.512 1.00 71.52 N ATOM 1096 CA ALA A 75 9.469 10.734 12.502 1.00 13.34 C ATOM 1097 C ALA A 75 9.964 10.727 11.050 1.00 24.54 C ATOM 1098 O ALA A 75 9.434 9.987 10.224 1.00 61.35 O ATOM 1099 CB ALA A 75 9.806 9.415 13.193 1.00 45.43 C ATOM 0 H ALA A 75 7.479 10.174 12.191 1.00 71.52 H new ATOM 0 HA ALA A 75 9.969 11.532 13.051 1.00 13.34 H new ATOM 0 HB1 ALA A 75 10.885 9.260 13.175 1.00 45.43 H new ATOM 0 HB2 ALA A 75 9.462 9.447 14.227 1.00 45.43 H new ATOM 0 HB3 ALA A 75 9.313 8.595 12.672 1.00 45.43 H new ATOM 1105 N PRO A 76 10.937 11.580 10.700 1.00 61.22 N ATOM 1106 CA PRO A 76 11.449 11.653 9.329 1.00 13.34 C ATOM 1107 C PRO A 76 12.397 10.501 9.015 1.00 71.02 C ATOM 1108 O PRO A 76 13.404 10.280 9.713 1.00 3.32 O ATOM 1109 CB PRO A 76 12.182 12.990 9.290 1.00 31.32 C ATOM 1110 CG PRO A 76 12.594 13.253 10.701 1.00 33.32 C ATOM 1111 CD PRO A 76 11.610 12.538 11.598 1.00 52.32 C ATOM 0 HA PRO A 76 10.655 11.578 8.586 1.00 13.34 H new ATOM 0 HB2 PRO A 76 13.048 12.945 8.629 1.00 31.32 H new ATOM 0 HB3 PRO A 76 11.535 13.783 8.915 1.00 31.32 H new ATOM 0 HG2 PRO A 76 13.607 12.893 10.879 1.00 33.32 H new ATOM 0 HG3 PRO A 76 12.595 14.323 10.908 1.00 33.32 H new ATOM 0 HD2 PRO A 76 12.115 12.028 12.418 1.00 52.32 H new ATOM 0 HD3 PRO A 76 10.899 13.233 12.044 1.00 52.32 H new ATOM 1119 N VAL A 77 12.096 9.787 7.970 1.00 61.24 N ATOM 1120 CA VAL A 77 12.857 8.616 7.595 1.00 4.34 C ATOM 1121 C VAL A 77 13.120 8.625 6.108 1.00 55.12 C ATOM 1122 O VAL A 77 12.573 9.457 5.378 1.00 1.31 O ATOM 1123 CB VAL A 77 12.105 7.287 7.957 1.00 11.02 C ATOM 1124 CG1 VAL A 77 11.922 7.130 9.456 1.00 41.44 C ATOM 1125 CG2 VAL A 77 10.755 7.220 7.258 1.00 1.22 C ATOM 0 H VAL A 77 11.315 9.995 7.348 1.00 61.24 H new ATOM 0 HA VAL A 77 13.793 8.651 8.152 1.00 4.34 H new ATOM 0 HB VAL A 77 12.727 6.463 7.607 1.00 11.02 H new ATOM 0 HG11 VAL A 77 11.397 6.197 9.663 1.00 41.44 H new ATOM 0 HG12 VAL A 77 12.898 7.113 9.942 1.00 41.44 H new ATOM 0 HG13 VAL A 77 11.340 7.967 9.841 1.00 41.44 H new ATOM 0 HG21 VAL A 77 10.253 6.290 7.525 1.00 1.22 H new ATOM 0 HG22 VAL A 77 10.142 8.066 7.569 1.00 1.22 H new ATOM 0 HG23 VAL A 77 10.902 7.256 6.179 1.00 1.22 H new ATOM 1135 N GLN A 78 13.964 7.727 5.676 1.00 14.33 N ATOM 1136 CA GLN A 78 14.216 7.533 4.268 1.00 23.32 C ATOM 1137 C GLN A 78 13.257 6.480 3.758 1.00 70.45 C ATOM 1138 O GLN A 78 12.596 6.654 2.729 1.00 44.35 O ATOM 1139 CB GLN A 78 15.659 7.094 4.047 1.00 5.35 C ATOM 1140 CG GLN A 78 16.678 8.151 4.429 1.00 35.35 C ATOM 1141 CD GLN A 78 16.573 9.372 3.544 1.00 41.34 C ATOM 1142 OE1 GLN A 78 16.200 9.268 2.378 1.00 22.14 O ATOM 1143 NE2 GLN A 78 16.880 10.524 4.073 1.00 14.45 N ATOM 0 H GLN A 78 14.497 7.108 6.287 1.00 14.33 H new ATOM 0 HA GLN A 78 14.064 8.466 3.726 1.00 23.32 H new ATOM 0 HB2 GLN A 78 15.849 6.191 4.627 1.00 5.35 H new ATOM 0 HB3 GLN A 78 15.794 6.833 2.997 1.00 5.35 H new ATOM 0 HG2 GLN A 78 16.529 8.441 5.469 1.00 35.35 H new ATOM 0 HG3 GLN A 78 17.682 7.733 4.355 1.00 35.35 H new ATOM 0 HE21 GLN A 78 17.186 10.574 5.045 1.00 14.45 H new ATOM 0 HE22 GLN A 78 16.814 11.375 3.515 1.00 14.45 H new ATOM 1152 N GLU A 79 13.165 5.397 4.504 1.00 63.32 N ATOM 1153 CA GLU A 79 12.268 4.330 4.189 1.00 21.23 C ATOM 1154 C GLU A 79 11.656 3.779 5.461 1.00 74.53 C ATOM 1155 O GLU A 79 12.258 3.864 6.548 1.00 12.35 O ATOM 1156 CB GLU A 79 12.940 3.236 3.356 1.00 51.04 C ATOM 1157 CG GLU A 79 14.162 2.616 3.990 1.00 21.20 C ATOM 1158 CD GLU A 79 14.766 1.566 3.113 1.00 1.32 C ATOM 1159 OE1 GLU A 79 15.510 1.915 2.172 1.00 21.44 O ATOM 1160 OE2 GLU A 79 14.511 0.375 3.327 1.00 21.34 O ATOM 0 H GLU A 79 13.718 5.242 5.347 1.00 63.32 H new ATOM 0 HA GLU A 79 11.468 4.731 3.567 1.00 21.23 H new ATOM 0 HB2 GLU A 79 12.211 2.449 3.160 1.00 51.04 H new ATOM 0 HB3 GLU A 79 13.223 3.656 2.391 1.00 51.04 H new ATOM 0 HG2 GLU A 79 14.901 3.392 4.191 1.00 21.20 H new ATOM 0 HG3 GLU A 79 13.891 2.177 4.950 1.00 21.20 H new ATOM 1167 N TRP A 80 10.481 3.258 5.326 1.00 71.42 N ATOM 1168 CA TRP A 80 9.681 2.771 6.419 1.00 62.43 C ATOM 1169 C TRP A 80 8.697 1.768 5.874 1.00 23.31 C ATOM 1170 O TRP A 80 8.375 1.810 4.703 1.00 72.14 O ATOM 1171 CB TRP A 80 8.970 3.993 7.046 1.00 52.13 C ATOM 1172 CG TRP A 80 7.791 3.747 7.923 1.00 31.51 C ATOM 1173 CD1 TRP A 80 6.491 3.843 7.550 1.00 71.15 C ATOM 1174 CD2 TRP A 80 7.790 3.434 9.312 1.00 70.44 C ATOM 1175 NE1 TRP A 80 5.682 3.627 8.614 1.00 63.04 N ATOM 1176 CE2 TRP A 80 6.445 3.362 9.713 1.00 21.23 C ATOM 1177 CE3 TRP A 80 8.786 3.212 10.250 1.00 71.33 C ATOM 1178 CZ2 TRP A 80 6.072 3.078 11.020 1.00 73.21 C ATOM 1179 CZ3 TRP A 80 8.423 2.930 11.542 1.00 12.24 C ATOM 1180 CH2 TRP A 80 7.075 2.863 11.923 1.00 31.55 C ATOM 0 H TRP A 80 10.028 3.152 4.418 1.00 71.42 H new ATOM 0 HA TRP A 80 10.277 2.275 7.185 1.00 62.43 H new ATOM 0 HB2 TRP A 80 9.708 4.546 7.627 1.00 52.13 H new ATOM 0 HB3 TRP A 80 8.650 4.646 6.234 1.00 52.13 H new ATOM 0 HD1 TRP A 80 6.150 4.060 6.549 1.00 71.15 H new ATOM 0 HE1 TRP A 80 4.663 3.658 8.596 1.00 63.04 H new ATOM 0 HE3 TRP A 80 9.828 3.260 9.969 1.00 71.33 H new ATOM 0 HZ2 TRP A 80 5.033 3.029 11.311 1.00 73.21 H new ATOM 0 HZ3 TRP A 80 9.191 2.756 12.281 1.00 12.24 H new ATOM 0 HH2 TRP A 80 6.825 2.637 12.949 1.00 31.55 H new ATOM 1191 N GLN A 81 8.285 0.837 6.666 1.00 12.21 N ATOM 1192 CA GLN A 81 7.268 -0.068 6.233 1.00 0.40 C ATOM 1193 C GLN A 81 5.944 0.344 6.831 1.00 33.10 C ATOM 1194 O GLN A 81 5.801 0.408 8.057 1.00 24.01 O ATOM 1195 CB GLN A 81 7.631 -1.516 6.540 1.00 63.53 C ATOM 1196 CG GLN A 81 8.804 -2.008 5.707 1.00 11.11 C ATOM 1197 CD GLN A 81 9.253 -3.402 6.068 1.00 53.24 C ATOM 1198 OE1 GLN A 81 8.470 -4.234 6.515 1.00 35.14 O ATOM 1199 NE2 GLN A 81 10.513 -3.674 5.870 1.00 40.22 N ATOM 0 H GLN A 81 8.632 0.681 7.612 1.00 12.21 H new ATOM 0 HA GLN A 81 7.180 -0.015 5.148 1.00 0.40 H new ATOM 0 HB2 GLN A 81 7.875 -1.610 7.598 1.00 63.53 H new ATOM 0 HB3 GLN A 81 6.765 -2.152 6.355 1.00 63.53 H new ATOM 0 HG2 GLN A 81 8.526 -1.985 4.653 1.00 11.11 H new ATOM 0 HG3 GLN A 81 9.641 -1.321 5.831 1.00 11.11 H new ATOM 0 HE21 GLN A 81 11.137 -2.958 5.497 1.00 40.22 H new ATOM 0 HE22 GLN A 81 10.875 -4.602 6.088 1.00 40.22 H new ATOM 1208 N LEU A 82 5.002 0.653 5.959 1.00 25.14 N ATOM 1209 CA LEU A 82 3.670 1.146 6.338 1.00 1.41 C ATOM 1210 C LEU A 82 2.961 0.182 7.280 1.00 54.41 C ATOM 1211 O LEU A 82 3.096 -1.043 7.154 1.00 11.54 O ATOM 1212 CB LEU A 82 2.807 1.323 5.085 1.00 14.44 C ATOM 1213 CG LEU A 82 3.365 2.255 4.022 1.00 10.54 C ATOM 1214 CD1 LEU A 82 2.412 2.384 2.853 1.00 13.32 C ATOM 1215 CD2 LEU A 82 3.614 3.596 4.620 1.00 13.31 C ATOM 0 H LEU A 82 5.132 0.571 4.951 1.00 25.14 H new ATOM 0 HA LEU A 82 3.807 2.099 6.849 1.00 1.41 H new ATOM 0 HB2 LEU A 82 2.649 0.343 4.635 1.00 14.44 H new ATOM 0 HB3 LEU A 82 1.829 1.695 5.390 1.00 14.44 H new ATOM 0 HG LEU A 82 4.300 1.835 3.651 1.00 10.54 H new ATOM 0 HD11 LEU A 82 2.838 3.057 2.109 1.00 13.32 H new ATOM 0 HD12 LEU A 82 2.250 1.403 2.405 1.00 13.32 H new ATOM 0 HD13 LEU A 82 1.460 2.785 3.202 1.00 13.32 H new ATOM 0 HD21 LEU A 82 4.014 4.265 3.858 1.00 13.31 H new ATOM 0 HD22 LEU A 82 2.679 4.002 5.005 1.00 13.31 H new ATOM 0 HD23 LEU A 82 4.332 3.503 5.435 1.00 13.31 H new ATOM 1227 N ALA A 83 2.233 0.728 8.215 1.00 53.51 N ATOM 1228 CA ALA A 83 1.491 -0.042 9.181 1.00 12.11 C ATOM 1229 C ALA A 83 0.220 0.708 9.482 1.00 73.32 C ATOM 1230 O ALA A 83 0.201 1.935 9.367 1.00 0.44 O ATOM 1231 CB ALA A 83 2.311 -0.231 10.445 1.00 70.42 C ATOM 0 H ALA A 83 2.136 1.737 8.331 1.00 53.51 H new ATOM 0 HA ALA A 83 1.261 -1.032 8.786 1.00 12.11 H new ATOM 0 HB1 ALA A 83 1.739 -0.814 11.166 1.00 70.42 H new ATOM 0 HB2 ALA A 83 3.235 -0.757 10.204 1.00 70.42 H new ATOM 0 HB3 ALA A 83 2.549 0.743 10.873 1.00 70.42 H new ATOM 1237 N ASP A 84 -0.827 0.010 9.855 1.00 61.24 N ATOM 1238 CA ASP A 84 -2.117 0.659 10.090 1.00 51.12 C ATOM 1239 C ASP A 84 -2.019 1.569 11.295 1.00 41.32 C ATOM 1240 O ASP A 84 -1.548 1.154 12.365 1.00 64.25 O ATOM 1241 CB ASP A 84 -3.229 -0.365 10.316 1.00 3.43 C ATOM 1242 CG ASP A 84 -4.631 0.234 10.242 1.00 21.22 C ATOM 1243 OD1 ASP A 84 -4.988 1.107 11.057 1.00 75.21 O ATOM 1244 OD2 ASP A 84 -5.401 -0.178 9.352 1.00 53.23 O ATOM 0 H ASP A 84 -0.823 -0.999 10.004 1.00 61.24 H new ATOM 0 HA ASP A 84 -2.365 1.240 9.202 1.00 51.12 H new ATOM 0 HB2 ASP A 84 -3.141 -1.156 9.571 1.00 3.43 H new ATOM 0 HB3 ASP A 84 -3.092 -0.829 11.293 1.00 3.43 H new ATOM 1249 N GLY A 85 -2.420 2.795 11.116 1.00 63.02 N ATOM 1250 CA GLY A 85 -2.378 3.754 12.182 1.00 61.44 C ATOM 1251 C GLY A 85 -1.213 4.691 12.046 1.00 14.22 C ATOM 1252 O GLY A 85 -1.065 5.624 12.831 1.00 54.42 O ATOM 0 H GLY A 85 -2.783 3.156 10.234 1.00 63.02 H new ATOM 0 HA2 GLY A 85 -3.305 4.327 12.192 1.00 61.44 H new ATOM 0 HA3 GLY A 85 -2.315 3.233 13.137 1.00 61.44 H new ATOM 1256 N ASP A 86 -0.366 4.432 11.064 1.00 13.00 N ATOM 1257 CA ASP A 86 0.777 5.290 10.797 1.00 72.34 C ATOM 1258 C ASP A 86 0.319 6.576 10.183 1.00 45.52 C ATOM 1259 O ASP A 86 -0.464 6.586 9.220 1.00 43.31 O ATOM 1260 CB ASP A 86 1.818 4.588 9.910 1.00 61.10 C ATOM 1261 CG ASP A 86 2.931 5.477 9.404 1.00 24.34 C ATOM 1262 OD1 ASP A 86 3.338 6.438 10.112 1.00 75.31 O ATOM 1263 OD2 ASP A 86 3.445 5.165 8.335 1.00 64.03 O ATOM 0 H ASP A 86 -0.448 3.632 10.437 1.00 13.00 H new ATOM 0 HA ASP A 86 1.267 5.511 11.745 1.00 72.34 H new ATOM 0 HB2 ASP A 86 2.258 3.766 10.474 1.00 61.10 H new ATOM 0 HB3 ASP A 86 1.306 4.149 9.053 1.00 61.10 H new ATOM 1268 N VAL A 87 0.750 7.643 10.775 1.00 74.34 N ATOM 1269 CA VAL A 87 0.428 8.947 10.307 1.00 65.51 C ATOM 1270 C VAL A 87 1.603 9.456 9.528 1.00 4.21 C ATOM 1271 O VAL A 87 2.660 9.743 10.097 1.00 14.53 O ATOM 1272 CB VAL A 87 0.151 9.914 11.482 1.00 61.24 C ATOM 1273 CG1 VAL A 87 -0.206 11.306 10.971 1.00 61.24 C ATOM 1274 CG2 VAL A 87 -0.947 9.375 12.379 1.00 63.24 C ATOM 0 H VAL A 87 1.342 7.631 11.606 1.00 74.34 H new ATOM 0 HA VAL A 87 -0.470 8.895 9.692 1.00 65.51 H new ATOM 0 HB VAL A 87 1.064 9.994 12.072 1.00 61.24 H new ATOM 0 HG11 VAL A 87 -0.396 11.966 11.817 1.00 61.24 H new ATOM 0 HG12 VAL A 87 0.622 11.700 10.381 1.00 61.24 H new ATOM 0 HG13 VAL A 87 -1.099 11.247 10.349 1.00 61.24 H new ATOM 0 HG21 VAL A 87 -1.123 10.073 13.198 1.00 63.24 H new ATOM 0 HG22 VAL A 87 -1.863 9.255 11.801 1.00 63.24 H new ATOM 0 HG23 VAL A 87 -0.645 8.409 12.784 1.00 63.24 H new ATOM 1284 N ILE A 88 1.416 9.600 8.269 1.00 2.14 N ATOM 1285 CA ILE A 88 2.452 10.043 7.405 1.00 43.43 C ATOM 1286 C ILE A 88 2.198 11.491 7.069 1.00 12.34 C ATOM 1287 O ILE A 88 1.118 11.849 6.620 1.00 51.32 O ATOM 1288 CB ILE A 88 2.506 9.175 6.130 1.00 61.14 C ATOM 1289 CG1 ILE A 88 2.788 7.725 6.516 1.00 75.10 C ATOM 1290 CG2 ILE A 88 3.539 9.690 5.150 1.00 53.41 C ATOM 1291 CD1 ILE A 88 2.976 6.793 5.350 1.00 44.24 C ATOM 0 H ILE A 88 0.530 9.412 7.801 1.00 2.14 H new ATOM 0 HA ILE A 88 3.419 9.947 7.899 1.00 43.43 H new ATOM 0 HB ILE A 88 1.540 9.230 5.629 1.00 61.14 H new ATOM 0 HG12 ILE A 88 3.684 7.695 7.136 1.00 75.10 H new ATOM 0 HG13 ILE A 88 1.964 7.359 7.128 1.00 75.10 H new ATOM 0 HG21 ILE A 88 3.549 9.054 4.265 1.00 53.41 H new ATOM 0 HG22 ILE A 88 3.289 10.711 4.861 1.00 53.41 H new ATOM 0 HG23 ILE A 88 4.523 9.676 5.618 1.00 53.41 H new ATOM 0 HD11 ILE A 88 3.171 5.786 5.717 1.00 44.24 H new ATOM 0 HD12 ILE A 88 2.073 6.788 4.739 1.00 44.24 H new ATOM 0 HD13 ILE A 88 3.820 7.130 4.748 1.00 44.24 H new ATOM 1303 N ARG A 89 3.152 12.321 7.311 1.00 71.14 N ATOM 1304 CA ARG A 89 2.973 13.720 7.111 1.00 52.33 C ATOM 1305 C ARG A 89 4.091 14.309 6.283 1.00 4.24 C ATOM 1306 O ARG A 89 5.262 14.148 6.598 1.00 4.44 O ATOM 1307 CB ARG A 89 2.892 14.435 8.464 1.00 42.33 C ATOM 1308 CG ARG A 89 2.647 15.929 8.357 1.00 51.44 C ATOM 1309 CD ARG A 89 2.693 16.610 9.711 1.00 11.34 C ATOM 1310 NE ARG A 89 4.014 16.491 10.354 1.00 34.13 N ATOM 1311 CZ ARG A 89 4.758 17.527 10.776 1.00 12.11 C ATOM 1312 NH1 ARG A 89 4.321 18.778 10.627 1.00 3.20 N ATOM 1313 NH2 ARG A 89 5.908 17.308 11.390 1.00 44.21 N ATOM 0 H ARG A 89 4.075 12.053 7.652 1.00 71.14 H new ATOM 0 HA ARG A 89 2.040 13.864 6.566 1.00 52.33 H new ATOM 0 HB2 ARG A 89 2.092 13.987 9.053 1.00 42.33 H new ATOM 0 HB3 ARG A 89 3.821 14.267 9.009 1.00 42.33 H new ATOM 0 HG2 ARG A 89 3.396 16.373 7.702 1.00 51.44 H new ATOM 0 HG3 ARG A 89 1.675 16.105 7.895 1.00 51.44 H new ATOM 0 HD2 ARG A 89 2.443 17.664 9.593 1.00 11.34 H new ATOM 0 HD3 ARG A 89 1.935 16.173 10.361 1.00 11.34 H new ATOM 0 HE ARG A 89 4.391 15.553 10.488 1.00 34.13 H new ATOM 0 HH11 ARG A 89 3.416 18.954 10.190 1.00 3.20 H new ATOM 0 HH12 ARG A 89 4.892 19.559 10.950 1.00 3.20 H new ATOM 0 HH21 ARG A 89 6.230 16.353 11.543 1.00 44.21 H new ATOM 0 HH22 ARG A 89 6.473 18.095 11.710 1.00 44.21 H new ATOM 1327 N LEU A 90 3.724 14.952 5.222 1.00 13.14 N ATOM 1328 CA LEU A 90 4.645 15.727 4.437 1.00 13.33 C ATOM 1329 C LEU A 90 4.405 17.150 4.849 1.00 1.31 C ATOM 1330 O LEU A 90 3.371 17.421 5.492 1.00 2.23 O ATOM 1331 CB LEU A 90 4.472 15.556 2.900 1.00 12.12 C ATOM 1332 CG LEU A 90 3.102 15.894 2.277 1.00 51.12 C ATOM 1333 CD1 LEU A 90 3.280 16.235 0.807 1.00 73.23 C ATOM 1334 CD2 LEU A 90 2.152 14.705 2.385 1.00 11.44 C ATOM 0 H LEU A 90 2.768 14.957 4.868 1.00 13.14 H new ATOM 0 HA LEU A 90 5.665 15.392 4.624 1.00 13.33 H new ATOM 0 HB2 LEU A 90 5.222 16.176 2.410 1.00 12.12 H new ATOM 0 HB3 LEU A 90 4.703 14.520 2.652 1.00 12.12 H new ATOM 0 HG LEU A 90 2.682 16.743 2.817 1.00 51.12 H new ATOM 0 HD11 LEU A 90 2.311 16.473 0.369 1.00 73.23 H new ATOM 0 HD12 LEU A 90 3.943 17.095 0.711 1.00 73.23 H new ATOM 0 HD13 LEU A 90 3.714 15.382 0.286 1.00 73.23 H new ATOM 0 HD21 LEU A 90 1.192 14.965 1.940 1.00 11.44 H new ATOM 0 HD22 LEU A 90 2.577 13.851 1.858 1.00 11.44 H new ATOM 0 HD23 LEU A 90 2.008 14.449 3.435 1.00 11.44 H new ATOM 1346 N GLY A 91 5.300 18.049 4.558 1.00 75.44 N ATOM 1347 CA GLY A 91 5.086 19.396 5.006 1.00 11.11 C ATOM 1348 C GLY A 91 4.048 20.099 4.160 1.00 34.13 C ATOM 1349 O GLY A 91 4.394 20.805 3.206 1.00 20.44 O ATOM 0 H GLY A 91 6.158 17.885 4.031 1.00 75.44 H new ATOM 0 HA2 GLY A 91 4.765 19.388 6.048 1.00 11.11 H new ATOM 0 HA3 GLY A 91 6.025 19.948 4.966 1.00 11.11 H new ATOM 1353 N HIS A 92 2.783 19.892 4.552 1.00 23.40 N ATOM 1354 CA HIS A 92 1.579 20.477 3.961 1.00 60.54 C ATOM 1355 C HIS A 92 0.376 19.637 4.399 1.00 12.20 C ATOM 1356 O HIS A 92 -0.578 20.137 4.979 1.00 0.40 O ATOM 1357 CB HIS A 92 1.601 20.481 2.414 1.00 23.01 C ATOM 1358 CG HIS A 92 0.493 21.291 1.805 1.00 62.31 C ATOM 1359 ND1 HIS A 92 -0.819 20.873 1.721 1.00 72.13 N ATOM 1360 CD2 HIS A 92 0.518 22.532 1.282 1.00 20.24 C ATOM 1361 CE1 HIS A 92 -1.531 21.847 1.168 1.00 41.23 C ATOM 1362 NE2 HIS A 92 -0.763 22.887 0.876 1.00 64.13 N ATOM 0 H HIS A 92 2.564 19.276 5.335 1.00 23.40 H new ATOM 0 HA HIS A 92 1.523 21.511 4.300 1.00 60.54 H new ATOM 0 HB2 HIS A 92 2.559 20.874 2.072 1.00 23.01 H new ATOM 0 HB3 HIS A 92 1.531 19.454 2.054 1.00 23.01 H new ATOM 0 HD1 HIS A 92 -1.180 19.971 2.031 1.00 72.13 H new ATOM 0 HD2 HIS A 92 1.396 23.154 1.192 1.00 20.24 H new ATOM 0 HE1 HIS A 92 -2.594 21.799 0.981 1.00 41.23 H new ATOM 1370 N SER A 93 0.458 18.352 4.151 1.00 71.24 N ATOM 1371 CA SER A 93 -0.657 17.449 4.377 1.00 52.12 C ATOM 1372 C SER A 93 -0.224 16.195 5.110 1.00 51.44 C ATOM 1373 O SER A 93 0.940 15.803 5.090 1.00 71.55 O ATOM 1374 CB SER A 93 -1.303 17.084 3.028 1.00 61.11 C ATOM 1375 OG SER A 93 -1.754 18.252 2.330 1.00 74.31 O ATOM 0 H SER A 93 1.296 17.898 3.787 1.00 71.24 H new ATOM 0 HA SER A 93 -1.386 17.958 5.007 1.00 52.12 H new ATOM 0 HB2 SER A 93 -0.583 16.546 2.412 1.00 61.11 H new ATOM 0 HB3 SER A 93 -2.144 16.411 3.196 1.00 61.11 H new ATOM 0 HG SER A 93 -2.230 17.984 1.517 1.00 74.31 H new ATOM 1381 N GLU A 94 -1.166 15.612 5.768 1.00 41.24 N ATOM 1382 CA GLU A 94 -1.003 14.409 6.515 1.00 2.11 C ATOM 1383 C GLU A 94 -1.961 13.349 5.969 1.00 42.21 C ATOM 1384 O GLU A 94 -3.078 13.683 5.544 1.00 14.14 O ATOM 1385 CB GLU A 94 -1.259 14.674 8.017 1.00 2.34 C ATOM 1386 CG GLU A 94 -2.573 15.415 8.335 1.00 35.10 C ATOM 1387 CD GLU A 94 -2.544 16.908 8.087 1.00 42.20 C ATOM 1388 OE1 GLU A 94 -1.964 17.663 8.895 1.00 74.23 O ATOM 1389 OE2 GLU A 94 -3.120 17.360 7.076 1.00 71.15 O ATOM 0 H GLU A 94 -2.118 15.978 5.802 1.00 41.24 H new ATOM 0 HA GLU A 94 0.019 14.045 6.413 1.00 2.11 H new ATOM 0 HB2 GLU A 94 -1.262 13.719 8.543 1.00 2.34 H new ATOM 0 HB3 GLU A 94 -0.427 15.255 8.415 1.00 2.34 H new ATOM 0 HG2 GLU A 94 -3.372 14.978 7.736 1.00 35.10 H new ATOM 0 HG3 GLU A 94 -2.826 15.241 9.381 1.00 35.10 H new ATOM 1396 N ILE A 95 -1.522 12.116 5.961 1.00 72.01 N ATOM 1397 CA ILE A 95 -2.272 10.995 5.429 1.00 51.24 C ATOM 1398 C ILE A 95 -2.159 9.834 6.453 1.00 3.45 C ATOM 1399 O ILE A 95 -1.142 9.729 7.148 1.00 22.55 O ATOM 1400 CB ILE A 95 -1.664 10.578 4.027 1.00 74.22 C ATOM 1401 CG1 ILE A 95 -2.546 9.599 3.271 1.00 5.23 C ATOM 1402 CG2 ILE A 95 -0.255 10.027 4.140 1.00 34.32 C ATOM 1403 CD1 ILE A 95 -3.774 10.237 2.693 1.00 12.24 C ATOM 0 H ILE A 95 -0.610 11.852 6.333 1.00 72.01 H new ATOM 0 HA ILE A 95 -3.320 11.251 5.277 1.00 51.24 H new ATOM 0 HB ILE A 95 -1.620 11.503 3.453 1.00 74.22 H new ATOM 0 HG12 ILE A 95 -1.967 9.145 2.467 1.00 5.23 H new ATOM 0 HG13 ILE A 95 -2.844 8.794 3.943 1.00 5.23 H new ATOM 0 HG21 ILE A 95 0.111 9.758 3.149 1.00 34.32 H new ATOM 0 HG22 ILE A 95 0.398 10.784 4.575 1.00 34.32 H new ATOM 0 HG23 ILE A 95 -0.260 9.143 4.777 1.00 34.32 H new ATOM 0 HD11 ILE A 95 -4.361 9.485 2.166 1.00 12.24 H new ATOM 0 HD12 ILE A 95 -4.373 10.667 3.496 1.00 12.24 H new ATOM 0 HD13 ILE A 95 -3.482 11.023 1.997 1.00 12.24 H new ATOM 1415 N ILE A 96 -3.185 9.013 6.591 1.00 44.25 N ATOM 1416 CA ILE A 96 -3.134 7.917 7.550 1.00 74.33 C ATOM 1417 C ILE A 96 -3.120 6.584 6.800 1.00 44.44 C ATOM 1418 O ILE A 96 -3.828 6.423 5.806 1.00 33.41 O ATOM 1419 CB ILE A 96 -4.343 7.961 8.538 1.00 11.34 C ATOM 1420 CG1 ILE A 96 -4.408 9.330 9.241 1.00 62.32 C ATOM 1421 CG2 ILE A 96 -4.236 6.839 9.577 1.00 4.21 C ATOM 1422 CD1 ILE A 96 -5.612 9.508 10.150 1.00 72.11 C ATOM 0 H ILE A 96 -4.054 9.080 6.061 1.00 44.25 H new ATOM 0 HA ILE A 96 -2.222 8.021 8.138 1.00 74.33 H new ATOM 0 HB ILE A 96 -5.259 7.814 7.965 1.00 11.34 H new ATOM 0 HG12 ILE A 96 -3.500 9.467 9.828 1.00 62.32 H new ATOM 0 HG13 ILE A 96 -4.420 10.114 8.484 1.00 62.32 H new ATOM 0 HG21 ILE A 96 -5.088 6.888 10.255 1.00 4.21 H new ATOM 0 HG22 ILE A 96 -4.230 5.874 9.071 1.00 4.21 H new ATOM 0 HG23 ILE A 96 -3.313 6.956 10.145 1.00 4.21 H new ATOM 0 HD11 ILE A 96 -5.581 10.498 10.605 1.00 72.11 H new ATOM 0 HD12 ILE A 96 -6.527 9.405 9.566 1.00 72.11 H new ATOM 0 HD13 ILE A 96 -5.593 8.749 10.932 1.00 72.11 H new ATOM 1434 N VAL A 97 -2.298 5.669 7.244 1.00 54.22 N ATOM 1435 CA VAL A 97 -2.185 4.362 6.633 1.00 52.51 C ATOM 1436 C VAL A 97 -3.168 3.375 7.246 1.00 44.30 C ATOM 1437 O VAL A 97 -3.230 3.219 8.473 1.00 35.40 O ATOM 1438 CB VAL A 97 -0.757 3.809 6.795 1.00 61.32 C ATOM 1439 CG1 VAL A 97 -0.649 2.402 6.235 1.00 24.14 C ATOM 1440 CG2 VAL A 97 0.218 4.708 6.096 1.00 33.53 C ATOM 0 H VAL A 97 -1.682 5.807 8.045 1.00 54.22 H new ATOM 0 HA VAL A 97 -2.416 4.481 5.575 1.00 52.51 H new ATOM 0 HB VAL A 97 -0.524 3.773 7.859 1.00 61.32 H new ATOM 0 HG11 VAL A 97 0.370 2.037 6.363 1.00 24.14 H new ATOM 0 HG12 VAL A 97 -1.339 1.745 6.765 1.00 24.14 H new ATOM 0 HG13 VAL A 97 -0.900 2.412 5.174 1.00 24.14 H new ATOM 0 HG21 VAL A 97 1.227 4.312 6.214 1.00 33.53 H new ATOM 0 HG22 VAL A 97 -0.030 4.760 5.036 1.00 33.53 H new ATOM 0 HG23 VAL A 97 0.167 5.707 6.529 1.00 33.53 H new ATOM 1450 N ARG A 98 -3.932 2.733 6.397 1.00 60.23 N ATOM 1451 CA ARG A 98 -4.846 1.700 6.796 1.00 72.34 C ATOM 1452 C ARG A 98 -4.479 0.415 6.096 1.00 3.43 C ATOM 1453 O ARG A 98 -4.001 0.435 4.965 1.00 43.41 O ATOM 1454 CB ARG A 98 -6.283 2.093 6.463 1.00 55.21 C ATOM 1455 CG ARG A 98 -6.765 3.311 7.214 1.00 43.51 C ATOM 1456 CD ARG A 98 -6.798 3.054 8.705 1.00 43.23 C ATOM 1457 NE ARG A 98 -7.179 4.239 9.454 1.00 73.12 N ATOM 1458 CZ ARG A 98 -6.811 4.481 10.713 1.00 51.42 C ATOM 1459 NH1 ARG A 98 -6.080 3.589 11.399 1.00 5.32 N ATOM 1460 NH2 ARG A 98 -7.180 5.616 11.290 1.00 13.23 N ATOM 0 H ARG A 98 -3.934 2.919 5.394 1.00 60.23 H new ATOM 0 HA ARG A 98 -4.777 1.559 7.875 1.00 72.34 H new ATOM 0 HB2 ARG A 98 -6.360 2.282 5.392 1.00 55.21 H new ATOM 0 HB3 ARG A 98 -6.942 1.254 6.687 1.00 55.21 H new ATOM 0 HG2 ARG A 98 -6.110 4.156 7.002 1.00 43.51 H new ATOM 0 HG3 ARG A 98 -7.761 3.585 6.867 1.00 43.51 H new ATOM 0 HD2 ARG A 98 -7.501 2.249 8.918 1.00 43.23 H new ATOM 0 HD3 ARG A 98 -5.816 2.716 9.036 1.00 43.23 H new ATOM 0 HE ARG A 98 -7.766 4.930 8.987 1.00 73.12 H new ATOM 0 HH11 ARG A 98 -5.799 2.713 10.958 1.00 5.32 H new ATOM 0 HH12 ARG A 98 -5.805 3.787 12.361 1.00 5.32 H new ATOM 0 HH21 ARG A 98 -7.739 6.293 10.772 1.00 13.23 H new ATOM 0 HH22 ARG A 98 -6.905 5.812 12.252 1.00 13.23 H new ATOM 1474 N MET A 99 -4.662 -0.675 6.767 1.00 10.31 N ATOM 1475 CA MET A 99 -4.364 -1.986 6.223 1.00 51.05 C ATOM 1476 C MET A 99 -5.615 -2.841 6.248 1.00 53.52 C ATOM 1477 O MET A 99 -6.249 -3.001 7.288 1.00 11.33 O ATOM 1478 CB MET A 99 -3.215 -2.655 6.986 1.00 73.53 C ATOM 1479 CG MET A 99 -1.888 -1.911 6.878 1.00 22.21 C ATOM 1480 SD MET A 99 -0.550 -2.659 7.837 1.00 23.32 S ATOM 1481 CE MET A 99 -0.398 -4.260 7.047 1.00 2.14 C ATOM 0 H MET A 99 -5.026 -0.695 7.720 1.00 10.31 H new ATOM 0 HA MET A 99 -4.037 -1.874 5.189 1.00 51.05 H new ATOM 0 HB2 MET A 99 -3.490 -2.738 8.038 1.00 73.53 H new ATOM 0 HB3 MET A 99 -3.084 -3.670 6.610 1.00 73.53 H new ATOM 0 HG2 MET A 99 -1.591 -1.868 5.830 1.00 22.21 H new ATOM 0 HG3 MET A 99 -2.031 -0.883 7.212 1.00 22.21 H new ATOM 0 HE1 MET A 99 0.526 -4.739 7.370 1.00 2.14 H new ATOM 0 HE2 MET A 99 -1.247 -4.885 7.325 1.00 2.14 H new ATOM 0 HE3 MET A 99 -0.381 -4.132 5.965 1.00 2.14 H new ATOM 1491 N HIS A 100 -5.986 -3.353 5.110 1.00 54.32 N ATOM 1492 CA HIS A 100 -7.217 -4.110 4.968 1.00 50.33 C ATOM 1493 C HIS A 100 -6.901 -5.568 4.683 1.00 13.22 C ATOM 1494 O HIS A 100 -6.975 -6.393 5.615 1.00 51.51 O ATOM 1495 CB HIS A 100 -8.106 -3.513 3.849 1.00 0.10 C ATOM 1496 CG HIS A 100 -8.576 -2.090 4.079 1.00 12.25 C ATOM 1497 ND1 HIS A 100 -9.851 -1.648 3.805 1.00 75.45 N ATOM 1498 CD2 HIS A 100 -7.900 -0.996 4.513 1.00 41.12 C ATOM 1499 CE1 HIS A 100 -9.912 -0.344 4.063 1.00 3.21 C ATOM 1500 NE2 HIS A 100 -8.746 0.106 4.502 1.00 44.40 N ATOM 1501 OXT HIS A 100 -6.509 -5.891 3.552 1.00 37.17 O ATOM 0 H HIS A 100 -5.449 -3.263 4.247 1.00 54.32 H new ATOM 0 HA HIS A 100 -7.772 -4.049 5.904 1.00 50.33 H new ATOM 0 HB2 HIS A 100 -7.551 -3.547 2.911 1.00 0.10 H new ATOM 0 HB3 HIS A 100 -8.981 -4.151 3.725 1.00 0.10 H new ATOM 0 HD2 HIS A 100 -6.864 -0.984 4.820 1.00 41.12 H new ATOM 0 HE1 HIS A 100 -10.794 0.266 3.932 1.00 3.21 H new ATOM 0 HE2 HIS A 100 -8.517 1.062 4.775 1.00 44.40 H new