USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=15 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 46 SER OG : rot 155:sc= 0.112 USER MOD Set 1.2: A 49 HIS : no HD1:sc= 0.115 K(o=3,f=-13!) USER MOD Set 1.3: A 65 ASN : amide:sc= 1.46 K(o=3,f=-15!) USER MOD Set 1.4: A 70 THR OG1 : rot 94:sc= 1.34 USER MOD Set 2.1: A 21 TYR OH : rot -147:sc= 0.667 USER MOD Set 2.2: A 28 ASN : amide:sc= 1.46 K(o=2.1,f=-0.4) USER MOD Single : A 7 THR OG1 : rot 23:sc= 0.121 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.0344 X(o=-0.034,f=0) 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 22 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 37 GLN : amide:sc=-0.000915 X(o=-0.00092,f=-0.42) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) 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 68 ASN : amide:sc= 1.11 K(o=1.1,f=-4.8!) USER MOD Single : A 71 THR OG1 : rot -110:sc= -1.31 USER MOD Single : A 73 ASN : amide:sc= 1.21 K(o=1.2,f=-0.16) USER MOD Single : A 74 ASN : amide:sc= -0.15 X(o=-0.15,f=-0.58) USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 81 GLN : amide:sc= -0.201 K(o=-0.2,f=-1.5!) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=-6.1e-05) USER MOD Single : A 93 SER OG : rot 72:sc= 0.056 USER MOD Single : A 99 MET CE :methyl -175:sc= 0 (180deg=-0.04) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 62 N THR A 7 -3.586 -8.808 1.981 1.00 13.30 N ATOM 63 CA THR A 7 -3.734 -7.518 2.584 1.00 70.44 C ATOM 64 C THR A 7 -4.090 -6.464 1.528 1.00 51.23 C ATOM 65 O THR A 7 -3.497 -6.421 0.441 1.00 32.41 O ATOM 66 CB THR A 7 -2.435 -7.128 3.321 1.00 42.10 C ATOM 67 OG1 THR A 7 -2.118 -8.147 4.293 1.00 63.32 O ATOM 68 CG2 THR A 7 -2.580 -5.784 4.028 1.00 65.31 C ATOM 0 HA THR A 7 -4.549 -7.562 3.307 1.00 70.44 H new ATOM 0 HB THR A 7 -1.635 -7.041 2.585 1.00 42.10 H new ATOM 0 HG1 THR A 7 -2.540 -8.992 4.031 1.00 63.32 H new ATOM 0 HG21 THR A 7 -1.648 -5.538 4.537 1.00 65.31 H new ATOM 0 HG22 THR A 7 -2.808 -5.010 3.295 1.00 65.31 H new ATOM 0 HG23 THR A 7 -3.388 -5.842 4.758 1.00 65.31 H new ATOM 76 N SER A 8 -5.077 -5.678 1.825 1.00 60.53 N ATOM 77 CA SER A 8 -5.449 -4.589 0.983 1.00 74.03 C ATOM 78 C SER A 8 -5.103 -3.296 1.722 1.00 74.32 C ATOM 79 O SER A 8 -5.614 -3.042 2.808 1.00 20.53 O ATOM 80 CB SER A 8 -6.937 -4.678 0.654 1.00 70.02 C ATOM 81 OG SER A 8 -7.257 -5.976 0.134 1.00 55.01 O ATOM 0 H SER A 8 -5.649 -5.776 2.664 1.00 60.53 H new ATOM 0 HA SER A 8 -4.911 -4.615 0.036 1.00 74.03 H new ATOM 0 HB2 SER A 8 -7.526 -4.483 1.550 1.00 70.02 H new ATOM 0 HB3 SER A 8 -7.201 -3.912 -0.075 1.00 70.02 H new ATOM 0 HG SER A 8 -8.214 -6.019 -0.071 1.00 55.01 H new ATOM 87 N VAL A 9 -4.204 -2.520 1.175 1.00 52.42 N ATOM 88 CA VAL A 9 -3.743 -1.315 1.846 1.00 3.40 C ATOM 89 C VAL A 9 -4.451 -0.112 1.268 1.00 31.52 C ATOM 90 O VAL A 9 -4.563 0.032 0.055 1.00 53.41 O ATOM 91 CB VAL A 9 -2.206 -1.138 1.726 1.00 25.15 C ATOM 92 CG1 VAL A 9 -1.717 0.031 2.570 1.00 51.21 C ATOM 93 CG2 VAL A 9 -1.490 -2.411 2.121 1.00 42.34 C ATOM 0 H VAL A 9 -3.772 -2.694 0.268 1.00 52.42 H new ATOM 0 HA VAL A 9 -3.979 -1.409 2.906 1.00 3.40 H new ATOM 0 HB VAL A 9 -1.977 -0.919 0.683 1.00 25.15 H new ATOM 0 HG11 VAL A 9 -0.637 0.129 2.465 1.00 51.21 H new ATOM 0 HG12 VAL A 9 -2.199 0.949 2.234 1.00 51.21 H new ATOM 0 HG13 VAL A 9 -1.965 -0.147 3.616 1.00 51.21 H new ATOM 0 HG21 VAL A 9 -0.414 -2.266 2.030 1.00 42.34 H new ATOM 0 HG22 VAL A 9 -1.736 -2.662 3.153 1.00 42.34 H new ATOM 0 HG23 VAL A 9 -1.804 -3.223 1.465 1.00 42.34 H new ATOM 103 N THR A 10 -4.942 0.725 2.116 1.00 51.41 N ATOM 104 CA THR A 10 -5.683 1.868 1.710 1.00 50.24 C ATOM 105 C THR A 10 -5.217 3.068 2.515 1.00 43.14 C ATOM 106 O THR A 10 -5.129 3.002 3.734 1.00 31.21 O ATOM 107 CB THR A 10 -7.195 1.611 1.933 1.00 3.44 C ATOM 108 OG1 THR A 10 -7.554 0.379 1.279 1.00 0.41 O ATOM 109 CG2 THR A 10 -8.040 2.740 1.361 1.00 23.12 C ATOM 0 H THR A 10 -4.838 0.633 3.126 1.00 51.41 H new ATOM 0 HA THR A 10 -5.520 2.066 0.651 1.00 50.24 H new ATOM 0 HB THR A 10 -7.383 1.553 3.005 1.00 3.44 H new ATOM 0 HG1 THR A 10 -8.509 0.203 1.414 1.00 0.41 H new ATOM 0 HG21 THR A 10 -9.095 2.528 1.534 1.00 23.12 H new ATOM 0 HG22 THR A 10 -7.773 3.677 1.849 1.00 23.12 H new ATOM 0 HG23 THR A 10 -7.858 2.824 0.290 1.00 23.12 H new ATOM 117 N LEU A 11 -4.869 4.124 1.846 1.00 53.05 N ATOM 118 CA LEU A 11 -4.428 5.301 2.522 1.00 13.52 C ATOM 119 C LEU A 11 -5.582 6.259 2.687 1.00 43.22 C ATOM 120 O LEU A 11 -6.435 6.373 1.798 1.00 3.02 O ATOM 121 CB LEU A 11 -3.189 5.940 1.824 1.00 75.51 C ATOM 122 CG LEU A 11 -3.291 6.438 0.360 1.00 1.32 C ATOM 123 CD1 LEU A 11 -4.032 7.770 0.251 1.00 60.13 C ATOM 124 CD2 LEU A 11 -1.905 6.559 -0.246 1.00 41.53 C ATOM 0 H LEU A 11 -4.883 4.193 0.828 1.00 53.05 H new ATOM 0 HA LEU A 11 -4.085 5.030 3.521 1.00 13.52 H new ATOM 0 HB2 LEU A 11 -2.876 6.788 2.433 1.00 75.51 H new ATOM 0 HB3 LEU A 11 -2.383 5.207 1.861 1.00 75.51 H new ATOM 0 HG LEU A 11 -3.870 5.700 -0.195 1.00 1.32 H new ATOM 0 HD11 LEU A 11 -4.077 8.077 -0.794 1.00 60.13 H new ATOM 0 HD12 LEU A 11 -5.044 7.656 0.640 1.00 60.13 H new ATOM 0 HD13 LEU A 11 -3.504 8.528 0.829 1.00 60.13 H new ATOM 0 HD21 LEU A 11 -1.987 6.910 -1.275 1.00 41.53 H new ATOM 0 HD22 LEU A 11 -1.315 7.269 0.333 1.00 41.53 H new ATOM 0 HD23 LEU A 11 -1.416 5.585 -0.233 1.00 41.53 H new ATOM 136 N GLN A 12 -5.648 6.883 3.820 1.00 2.45 N ATOM 137 CA GLN A 12 -6.676 7.836 4.100 1.00 12.41 C ATOM 138 C GLN A 12 -6.059 9.218 4.197 1.00 24.12 C ATOM 139 O GLN A 12 -5.392 9.542 5.183 1.00 41.44 O ATOM 140 CB GLN A 12 -7.367 7.522 5.416 1.00 64.45 C ATOM 141 CG GLN A 12 -8.544 8.433 5.697 1.00 65.23 C ATOM 142 CD GLN A 12 -8.800 8.582 7.162 1.00 24.04 C ATOM 143 OE1 GLN A 12 -9.551 7.821 7.770 1.00 34.53 O ATOM 144 NE2 GLN A 12 -8.170 9.566 7.742 1.00 32.30 N ATOM 0 H GLN A 12 -4.985 6.745 4.583 1.00 2.45 H new ATOM 0 HA GLN A 12 -7.411 7.795 3.296 1.00 12.41 H new ATOM 0 HB2 GLN A 12 -7.710 6.488 5.402 1.00 64.45 H new ATOM 0 HB3 GLN A 12 -6.646 7.608 6.229 1.00 64.45 H new ATOM 0 HG2 GLN A 12 -8.356 9.414 5.260 1.00 65.23 H new ATOM 0 HG3 GLN A 12 -9.435 8.034 5.212 1.00 65.23 H new ATOM 0 HE21 GLN A 12 -7.557 10.171 7.196 1.00 32.30 H new ATOM 0 HE22 GLN A 12 -8.290 9.730 8.742 1.00 32.30 H new ATOM 153 N LEU A 13 -6.281 10.009 3.205 1.00 70.21 N ATOM 154 CA LEU A 13 -5.759 11.343 3.145 1.00 42.24 C ATOM 155 C LEU A 13 -6.870 12.303 3.473 1.00 32.02 C ATOM 156 O LEU A 13 -7.942 12.264 2.839 1.00 54.34 O ATOM 157 CB LEU A 13 -5.253 11.647 1.734 1.00 3.24 C ATOM 158 CG LEU A 13 -4.839 13.098 1.489 1.00 63.11 C ATOM 159 CD1 LEU A 13 -3.558 13.457 2.229 1.00 41.44 C ATOM 160 CD2 LEU A 13 -4.744 13.400 0.009 1.00 62.42 C ATOM 0 H LEU A 13 -6.841 9.748 2.393 1.00 70.21 H new ATOM 0 HA LEU A 13 -4.936 11.443 3.852 1.00 42.24 H new ATOM 0 HB2 LEU A 13 -4.399 11.002 1.525 1.00 3.24 H new ATOM 0 HB3 LEU A 13 -6.034 11.383 1.021 1.00 3.24 H new ATOM 0 HG LEU A 13 -5.623 13.734 1.899 1.00 63.11 H new ATOM 0 HD11 LEU A 13 -3.300 14.497 2.027 1.00 41.44 H new ATOM 0 HD12 LEU A 13 -3.707 13.322 3.300 1.00 41.44 H new ATOM 0 HD13 LEU A 13 -2.749 12.810 1.890 1.00 41.44 H new ATOM 0 HD21 LEU A 13 -4.448 14.439 -0.132 1.00 62.42 H new ATOM 0 HD22 LEU A 13 -4.002 12.746 -0.449 1.00 62.42 H new ATOM 0 HD23 LEU A 13 -5.714 13.233 -0.460 1.00 62.42 H new ATOM 172 N ASP A 14 -6.666 13.168 4.422 1.00 53.20 N ATOM 173 CA ASP A 14 -7.705 14.097 4.706 1.00 52.22 C ATOM 174 C ASP A 14 -7.487 15.366 3.960 1.00 13.24 C ATOM 175 O ASP A 14 -6.663 16.188 4.317 1.00 45.31 O ATOM 176 CB ASP A 14 -7.943 14.369 6.182 1.00 54.32 C ATOM 177 CG ASP A 14 -9.099 15.343 6.332 1.00 42.44 C ATOM 178 OD1 ASP A 14 -10.080 15.221 5.553 1.00 64.43 O ATOM 179 OD2 ASP A 14 -9.022 16.284 7.170 1.00 74.32 O ATOM 0 H ASP A 14 -5.822 13.246 4.990 1.00 53.20 H new ATOM 0 HA ASP A 14 -8.621 13.616 4.362 1.00 52.22 H new ATOM 0 HB2 ASP A 14 -8.166 13.438 6.704 1.00 54.32 H new ATOM 0 HB3 ASP A 14 -7.043 14.782 6.637 1.00 54.32 H new ATOM 184 N ASP A 15 -8.204 15.491 2.899 1.00 50.25 N ATOM 185 CA ASP A 15 -8.175 16.671 2.065 1.00 42.05 C ATOM 186 C ASP A 15 -9.265 17.652 2.544 1.00 74.43 C ATOM 187 O ASP A 15 -9.403 18.764 2.043 1.00 53.44 O ATOM 188 CB ASP A 15 -8.416 16.234 0.603 1.00 35.40 C ATOM 189 CG ASP A 15 -8.423 17.362 -0.411 1.00 31.31 C ATOM 190 OD1 ASP A 15 -7.349 17.772 -0.865 1.00 1.44 O ATOM 191 OD2 ASP A 15 -9.516 17.810 -0.809 1.00 41.21 O ATOM 0 H ASP A 15 -8.844 14.769 2.568 1.00 50.25 H new ATOM 0 HA ASP A 15 -7.212 17.177 2.129 1.00 42.05 H new ATOM 0 HB2 ASP A 15 -7.644 15.518 0.322 1.00 35.40 H new ATOM 0 HB3 ASP A 15 -9.371 15.711 0.549 1.00 35.40 H new ATOM 196 N GLY A 16 -9.980 17.239 3.574 1.00 62.42 N ATOM 197 CA GLY A 16 -11.117 17.974 4.060 1.00 1.23 C ATOM 198 C GLY A 16 -12.358 17.169 3.791 1.00 64.41 C ATOM 199 O GLY A 16 -13.401 17.708 3.395 1.00 10.22 O ATOM 0 H GLY A 16 -9.783 16.383 4.093 1.00 62.42 H new ATOM 0 HA2 GLY A 16 -11.015 18.167 5.128 1.00 1.23 H new ATOM 0 HA3 GLY A 16 -11.180 18.944 3.566 1.00 1.23 H new ATOM 203 N SER A 17 -12.249 15.873 4.050 1.00 44.04 N ATOM 204 CA SER A 17 -13.276 14.903 3.690 1.00 0.30 C ATOM 205 C SER A 17 -12.900 13.484 4.170 1.00 4.01 C ATOM 206 O SER A 17 -13.786 12.661 4.423 1.00 72.43 O ATOM 207 CB SER A 17 -13.476 14.897 2.143 1.00 74.50 C ATOM 208 OG SER A 17 -14.431 13.923 1.702 1.00 23.12 O ATOM 0 H SER A 17 -11.441 15.462 4.518 1.00 44.04 H new ATOM 0 HA SER A 17 -14.204 15.194 4.181 1.00 0.30 H new ATOM 0 HB2 SER A 17 -13.800 15.887 1.821 1.00 74.50 H new ATOM 0 HB3 SER A 17 -12.518 14.703 1.660 1.00 74.50 H new ATOM 0 HG SER A 17 -14.516 13.966 0.727 1.00 23.12 H new ATOM 214 N GLY A 18 -11.601 13.213 4.345 1.00 23.15 N ATOM 215 CA GLY A 18 -11.166 11.864 4.644 1.00 30.02 C ATOM 216 C GLY A 18 -11.315 10.961 3.426 1.00 44.12 C ATOM 217 O GLY A 18 -12.200 10.098 3.382 1.00 41.34 O ATOM 0 H GLY A 18 -10.853 13.903 4.284 1.00 23.15 H new ATOM 0 HA2 GLY A 18 -10.125 11.877 4.967 1.00 30.02 H new ATOM 0 HA3 GLY A 18 -11.752 11.464 5.472 1.00 30.02 H new ATOM 221 N ARG A 19 -10.463 11.176 2.436 1.00 32.03 N ATOM 222 CA ARG A 19 -10.489 10.415 1.190 1.00 72.33 C ATOM 223 C ARG A 19 -9.638 9.186 1.315 1.00 71.41 C ATOM 224 O ARG A 19 -8.680 9.176 2.084 1.00 71.15 O ATOM 225 CB ARG A 19 -9.974 11.237 0.015 1.00 1.24 C ATOM 226 CG ARG A 19 -10.896 12.346 -0.468 1.00 32.25 C ATOM 227 CD ARG A 19 -10.291 13.054 -1.674 1.00 32.54 C ATOM 228 NE ARG A 19 -11.172 14.086 -2.235 1.00 43.32 N ATOM 229 CZ ARG A 19 -10.752 15.203 -2.861 1.00 41.14 C ATOM 230 NH1 ARG A 19 -9.445 15.459 -2.983 1.00 12.44 N ATOM 231 NH2 ARG A 19 -11.632 16.047 -3.374 1.00 62.34 N ATOM 0 H ARG A 19 -9.730 11.885 2.471 1.00 32.03 H new ATOM 0 HA ARG A 19 -11.528 10.143 1.004 1.00 72.33 H new ATOM 0 HB2 ARG A 19 -9.019 11.680 0.296 1.00 1.24 H new ATOM 0 HB3 ARG A 19 -9.779 10.563 -0.819 1.00 1.24 H new ATOM 0 HG2 ARG A 19 -11.868 11.930 -0.733 1.00 32.25 H new ATOM 0 HG3 ARG A 19 -11.065 13.063 0.336 1.00 32.25 H new ATOM 0 HD2 ARG A 19 -9.345 13.511 -1.383 1.00 32.54 H new ATOM 0 HD3 ARG A 19 -10.066 12.318 -2.445 1.00 32.54 H new ATOM 0 HE ARG A 19 -12.178 13.947 -2.144 1.00 43.32 H new ATOM 0 HH11 ARG A 19 -8.760 14.807 -2.601 1.00 12.44 H new ATOM 0 HH12 ARG A 19 -9.133 16.306 -3.458 1.00 12.44 H new ATOM 0 HH21 ARG A 19 -12.630 15.853 -3.296 1.00 62.34 H new ATOM 0 HH22 ARG A 19 -11.312 16.892 -3.847 1.00 62.34 H new ATOM 245 N THR A 20 -9.951 8.173 0.559 1.00 71.10 N ATOM 246 CA THR A 20 -9.227 6.945 0.628 1.00 14.41 C ATOM 247 C THR A 20 -8.786 6.462 -0.754 1.00 13.44 C ATOM 248 O THR A 20 -9.562 6.464 -1.716 1.00 4.44 O ATOM 249 CB THR A 20 -10.040 5.858 1.370 1.00 41.23 C ATOM 250 OG1 THR A 20 -11.370 5.760 0.819 1.00 74.52 O ATOM 251 CG2 THR A 20 -10.137 6.183 2.848 1.00 65.25 C ATOM 0 H THR A 20 -10.713 8.179 -0.119 1.00 71.10 H new ATOM 0 HA THR A 20 -8.321 7.137 1.203 1.00 14.41 H new ATOM 0 HB THR A 20 -9.524 4.906 1.243 1.00 41.23 H new ATOM 0 HG1 THR A 20 -11.872 5.067 1.297 1.00 74.52 H new ATOM 0 HG21 THR A 20 -10.712 5.408 3.354 1.00 65.25 H new ATOM 0 HG22 THR A 20 -9.136 6.230 3.277 1.00 65.25 H new ATOM 0 HG23 THR A 20 -10.633 7.145 2.977 1.00 65.25 H new ATOM 259 N TYR A 21 -7.540 6.087 -0.850 1.00 25.23 N ATOM 260 CA TYR A 21 -6.957 5.564 -2.070 1.00 65.13 C ATOM 261 C TYR A 21 -6.334 4.227 -1.764 1.00 0.42 C ATOM 262 O TYR A 21 -5.555 4.107 -0.815 1.00 71.31 O ATOM 263 CB TYR A 21 -5.908 6.550 -2.638 1.00 60.22 C ATOM 264 CG TYR A 21 -5.028 5.998 -3.760 1.00 5.12 C ATOM 265 CD1 TYR A 21 -5.519 5.817 -5.047 1.00 31.32 C ATOM 266 CD2 TYR A 21 -3.699 5.655 -3.516 1.00 3.30 C ATOM 267 CE1 TYR A 21 -4.707 5.311 -6.054 1.00 3.34 C ATOM 268 CE2 TYR A 21 -2.888 5.151 -4.514 1.00 33.12 C ATOM 269 CZ TYR A 21 -3.396 4.979 -5.779 1.00 74.34 C ATOM 270 OH TYR A 21 -2.584 4.473 -6.782 1.00 14.32 O ATOM 0 H TYR A 21 -6.883 6.135 -0.071 1.00 25.23 H new ATOM 0 HA TYR A 21 -7.729 5.440 -2.829 1.00 65.13 H new ATOM 0 HB2 TYR A 21 -6.428 7.433 -3.009 1.00 60.22 H new ATOM 0 HB3 TYR A 21 -5.264 6.878 -1.822 1.00 60.22 H new ATOM 0 HD1 TYR A 21 -6.545 6.073 -5.267 1.00 31.32 H new ATOM 0 HD2 TYR A 21 -3.294 5.786 -2.523 1.00 3.30 H new ATOM 0 HE1 TYR A 21 -5.101 5.178 -7.051 1.00 3.34 H new ATOM 0 HE2 TYR A 21 -1.861 4.894 -4.301 1.00 33.12 H new ATOM 0 HH TYR A 21 -1.949 3.833 -6.397 1.00 14.32 H new ATOM 280 N GLN A 22 -6.688 3.225 -2.517 1.00 23.34 N ATOM 281 CA GLN A 22 -6.151 1.917 -2.291 1.00 14.33 C ATOM 282 C GLN A 22 -4.848 1.766 -3.048 1.00 60.21 C ATOM 283 O GLN A 22 -4.745 2.152 -4.216 1.00 50.05 O ATOM 284 CB GLN A 22 -7.144 0.822 -2.699 1.00 11.51 C ATOM 285 CG GLN A 22 -6.702 -0.582 -2.295 1.00 12.33 C ATOM 286 CD GLN A 22 -7.674 -1.662 -2.705 1.00 52.11 C ATOM 287 OE1 GLN A 22 -8.878 -1.428 -2.812 1.00 45.11 O ATOM 288 NE2 GLN A 22 -7.179 -2.853 -2.888 1.00 72.22 N ATOM 0 H GLN A 22 -7.347 3.290 -3.293 1.00 23.34 H new ATOM 0 HA GLN A 22 -5.964 1.802 -1.223 1.00 14.33 H new ATOM 0 HB2 GLN A 22 -8.113 1.034 -2.246 1.00 11.51 H new ATOM 0 HB3 GLN A 22 -7.284 0.854 -3.780 1.00 11.51 H new ATOM 0 HG2 GLN A 22 -5.730 -0.791 -2.742 1.00 12.33 H new ATOM 0 HG3 GLN A 22 -6.569 -0.615 -1.214 1.00 12.33 H new ATOM 0 HE21 GLN A 22 -6.176 -3.009 -2.791 1.00 72.22 H new ATOM 0 HE22 GLN A 22 -7.795 -3.630 -3.129 1.00 72.22 H new ATOM 297 N LEU A 23 -3.863 1.234 -2.386 1.00 55.31 N ATOM 298 CA LEU A 23 -2.581 1.017 -2.987 1.00 45.12 C ATOM 299 C LEU A 23 -2.631 -0.241 -3.792 1.00 74.02 C ATOM 300 O LEU A 23 -2.967 -1.311 -3.273 1.00 3.20 O ATOM 301 CB LEU A 23 -1.492 0.888 -1.927 1.00 22.33 C ATOM 302 CG LEU A 23 -1.188 2.129 -1.094 1.00 40.15 C ATOM 303 CD1 LEU A 23 -0.141 1.794 -0.065 1.00 44.40 C ATOM 304 CD2 LEU A 23 -0.703 3.270 -1.974 1.00 12.13 C ATOM 0 H LEU A 23 -3.927 0.938 -1.412 1.00 55.31 H new ATOM 0 HA LEU A 23 -2.345 1.871 -3.622 1.00 45.12 H new ATOM 0 HB2 LEU A 23 -1.774 0.084 -1.247 1.00 22.33 H new ATOM 0 HB3 LEU A 23 -0.572 0.578 -2.422 1.00 22.33 H new ATOM 0 HG LEU A 23 -2.104 2.450 -0.598 1.00 40.15 H new ATOM 0 HD11 LEU A 23 0.079 2.679 0.532 1.00 44.40 H new ATOM 0 HD12 LEU A 23 -0.510 1.000 0.585 1.00 44.40 H new ATOM 0 HD13 LEU A 23 0.768 1.460 -0.566 1.00 44.40 H new ATOM 0 HD21 LEU A 23 -0.493 4.143 -1.356 1.00 12.13 H new ATOM 0 HD22 LEU A 23 0.206 2.967 -2.494 1.00 12.13 H new ATOM 0 HD23 LEU A 23 -1.473 3.519 -2.704 1.00 12.13 H new ATOM 316 N ARG A 24 -2.341 -0.127 -5.043 1.00 60.44 N ATOM 317 CA ARG A 24 -2.307 -1.277 -5.870 1.00 14.22 C ATOM 318 C ARG A 24 -0.918 -1.831 -5.890 1.00 62.14 C ATOM 319 O ARG A 24 0.045 -1.110 -5.581 1.00 61.25 O ATOM 320 CB ARG A 24 -2.830 -0.990 -7.275 1.00 52.24 C ATOM 321 CG ARG A 24 -4.290 -0.588 -7.278 1.00 5.30 C ATOM 322 CD ARG A 24 -4.854 -0.483 -8.674 1.00 54.10 C ATOM 323 NE ARG A 24 -6.271 -0.142 -8.626 1.00 75.31 N ATOM 324 CZ ARG A 24 -7.237 -0.683 -9.371 1.00 3.43 C ATOM 325 NH1 ARG A 24 -6.960 -1.637 -10.258 1.00 20.41 N ATOM 326 NH2 ARG A 24 -8.488 -0.290 -9.201 1.00 24.11 N ATOM 0 H ARG A 24 -2.124 0.752 -5.513 1.00 60.44 H new ATOM 0 HA ARG A 24 -2.978 -2.028 -5.452 1.00 14.22 H new ATOM 0 HB2 ARG A 24 -2.236 -0.194 -7.725 1.00 52.24 H new ATOM 0 HB3 ARG A 24 -2.699 -1.876 -7.896 1.00 52.24 H new ATOM 0 HG2 ARG A 24 -4.866 -1.318 -6.710 1.00 5.30 H new ATOM 0 HG3 ARG A 24 -4.401 0.370 -6.771 1.00 5.30 H new ATOM 0 HD2 ARG A 24 -4.310 0.276 -9.237 1.00 54.10 H new ATOM 0 HD3 ARG A 24 -4.719 -1.428 -9.200 1.00 54.10 H new ATOM 0 HE ARG A 24 -6.550 0.578 -7.960 1.00 75.31 H new ATOM 0 HH11 ARG A 24 -6.000 -1.962 -10.374 1.00 20.41 H new ATOM 0 HH12 ARG A 24 -7.708 -2.042 -10.821 1.00 20.41 H new ATOM 0 HH21 ARG A 24 -8.709 0.422 -8.504 1.00 24.11 H new ATOM 0 HH22 ARG A 24 -9.232 -0.699 -9.766 1.00 24.11 H new ATOM 340 N GLU A 25 -0.830 -3.103 -6.185 1.00 1.22 N ATOM 341 CA GLU A 25 0.417 -3.826 -6.253 1.00 21.53 C ATOM 342 C GLU A 25 1.382 -3.173 -7.232 1.00 15.44 C ATOM 343 O GLU A 25 1.012 -2.789 -8.351 1.00 73.23 O ATOM 344 CB GLU A 25 0.144 -5.286 -6.590 1.00 70.40 C ATOM 345 CG GLU A 25 -0.775 -5.462 -7.781 1.00 60.03 C ATOM 346 CD GLU A 25 -1.128 -6.887 -8.031 1.00 42.13 C ATOM 347 OE1 GLU A 25 -2.045 -7.411 -7.355 1.00 33.24 O ATOM 348 OE2 GLU A 25 -0.539 -7.503 -8.934 1.00 30.11 O ATOM 0 H GLU A 25 -1.645 -3.681 -6.390 1.00 1.22 H new ATOM 0 HA GLU A 25 0.905 -3.792 -5.279 1.00 21.53 H new ATOM 0 HB2 GLU A 25 1.090 -5.789 -6.792 1.00 70.40 H new ATOM 0 HB3 GLU A 25 -0.298 -5.776 -5.723 1.00 70.40 H new ATOM 0 HG2 GLU A 25 -1.688 -4.889 -7.618 1.00 60.03 H new ATOM 0 HG3 GLU A 25 -0.295 -5.050 -8.669 1.00 60.03 H new ATOM 355 N GLY A 26 2.576 -3.016 -6.787 1.00 12.11 N ATOM 356 CA GLY A 26 3.574 -2.332 -7.530 1.00 71.25 C ATOM 357 C GLY A 26 3.936 -1.107 -6.762 1.00 3.13 C ATOM 358 O GLY A 26 3.630 -1.019 -5.565 1.00 61.32 O ATOM 0 H GLY A 26 2.893 -3.364 -5.882 1.00 12.11 H new ATOM 0 HA2 GLY A 26 4.448 -2.967 -7.675 1.00 71.25 H new ATOM 0 HA3 GLY A 26 3.203 -2.069 -8.521 1.00 71.25 H new ATOM 362 N SER A 27 4.551 -0.167 -7.368 1.00 12.23 N ATOM 363 CA SER A 27 4.866 1.009 -6.650 1.00 4.54 C ATOM 364 C SER A 27 3.969 2.156 -7.060 1.00 62.01 C ATOM 365 O SER A 27 3.751 2.417 -8.242 1.00 25.14 O ATOM 366 CB SER A 27 6.346 1.343 -6.739 1.00 74.43 C ATOM 367 OG SER A 27 6.774 1.424 -8.096 1.00 44.22 O ATOM 0 H SER A 27 4.844 -0.184 -8.345 1.00 12.23 H new ATOM 0 HA SER A 27 4.667 0.825 -5.594 1.00 4.54 H new ATOM 0 HB2 SER A 27 6.539 2.291 -6.237 1.00 74.43 H new ATOM 0 HB3 SER A 27 6.926 0.582 -6.217 1.00 74.43 H new ATOM 0 HG SER A 27 7.729 1.642 -8.125 1.00 44.22 H new ATOM 373 N ASN A 28 3.438 2.806 -6.082 1.00 55.12 N ATOM 374 CA ASN A 28 2.535 3.898 -6.274 1.00 41.03 C ATOM 375 C ASN A 28 3.318 5.166 -6.103 1.00 53.14 C ATOM 376 O ASN A 28 3.813 5.459 -5.007 1.00 13.12 O ATOM 377 CB ASN A 28 1.370 3.816 -5.260 1.00 3.44 C ATOM 378 CG ASN A 28 0.518 2.555 -5.434 1.00 34.51 C ATOM 379 OD1 ASN A 28 -0.493 2.556 -6.152 1.00 20.22 O ATOM 380 ND2 ASN A 28 0.917 1.475 -4.792 1.00 73.31 N ATOM 0 H ASN A 28 3.621 2.591 -5.102 1.00 55.12 H new ATOM 0 HA ASN A 28 2.094 3.866 -7.270 1.00 41.03 H new ATOM 0 HB2 ASN A 28 1.773 3.839 -4.248 1.00 3.44 H new ATOM 0 HB3 ASN A 28 0.736 4.695 -5.371 1.00 3.44 H new ATOM 0 HD21 ASN A 28 0.389 0.606 -4.878 1.00 73.31 H new ATOM 0 HD22 ASN A 28 1.753 1.508 -4.209 1.00 73.31 H new ATOM 387 N ILE A 29 3.489 5.881 -7.185 1.00 41.34 N ATOM 388 CA ILE A 29 4.282 7.093 -7.180 1.00 53.14 C ATOM 389 C ILE A 29 3.413 8.249 -6.757 1.00 10.45 C ATOM 390 O ILE A 29 2.375 8.524 -7.380 1.00 65.41 O ATOM 391 CB ILE A 29 4.876 7.390 -8.580 1.00 74.05 C ATOM 392 CG1 ILE A 29 5.647 6.172 -9.114 1.00 75.13 C ATOM 393 CG2 ILE A 29 5.787 8.624 -8.542 1.00 72.14 C ATOM 394 CD1 ILE A 29 6.826 5.736 -8.265 1.00 5.31 C ATOM 0 H ILE A 29 3.087 5.645 -8.092 1.00 41.34 H new ATOM 0 HA ILE A 29 5.108 6.957 -6.482 1.00 53.14 H new ATOM 0 HB ILE A 29 4.047 7.599 -9.256 1.00 74.05 H new ATOM 0 HG12 ILE A 29 4.955 5.335 -9.205 1.00 75.13 H new ATOM 0 HG13 ILE A 29 6.006 6.400 -10.118 1.00 75.13 H new ATOM 0 HG21 ILE A 29 6.190 8.809 -9.538 1.00 72.14 H new ATOM 0 HG22 ILE A 29 5.212 9.491 -8.216 1.00 72.14 H new ATOM 0 HG23 ILE A 29 6.607 8.450 -7.845 1.00 72.14 H new ATOM 0 HD11 ILE A 29 7.305 4.871 -8.724 1.00 5.31 H new ATOM 0 HD12 ILE A 29 7.544 6.553 -8.193 1.00 5.31 H new ATOM 0 HD13 ILE A 29 6.477 5.471 -7.267 1.00 5.31 H new ATOM 406 N ILE A 30 3.815 8.898 -5.710 1.00 42.24 N ATOM 407 CA ILE A 30 3.084 9.983 -5.146 1.00 72.33 C ATOM 408 C ILE A 30 3.870 11.290 -5.333 1.00 32.00 C ATOM 409 O ILE A 30 5.097 11.337 -5.111 1.00 22.22 O ATOM 410 CB ILE A 30 2.788 9.705 -3.639 1.00 73.32 C ATOM 411 CG1 ILE A 30 1.966 8.405 -3.482 1.00 41.20 C ATOM 412 CG2 ILE A 30 2.088 10.874 -3.000 1.00 31.40 C ATOM 413 CD1 ILE A 30 1.678 8.013 -2.049 1.00 75.25 C ATOM 0 H ILE A 30 4.680 8.682 -5.214 1.00 42.24 H new ATOM 0 HA ILE A 30 2.128 10.085 -5.659 1.00 72.33 H new ATOM 0 HB ILE A 30 3.738 9.571 -3.122 1.00 73.32 H new ATOM 0 HG12 ILE A 30 1.020 8.523 -4.010 1.00 41.20 H new ATOM 0 HG13 ILE A 30 2.503 7.590 -3.967 1.00 41.20 H new ATOM 0 HG21 ILE A 30 1.894 10.653 -1.950 1.00 31.40 H new ATOM 0 HG22 ILE A 30 2.718 11.760 -3.074 1.00 31.40 H new ATOM 0 HG23 ILE A 30 1.144 11.057 -3.513 1.00 31.40 H new ATOM 0 HD11 ILE A 30 1.097 7.091 -2.034 1.00 75.25 H new ATOM 0 HD12 ILE A 30 2.617 7.859 -1.518 1.00 75.25 H new ATOM 0 HD13 ILE A 30 1.111 8.806 -1.562 1.00 75.25 H new ATOM 425 N GLY A 31 3.182 12.310 -5.790 1.00 5.23 N ATOM 426 CA GLY A 31 3.772 13.603 -6.016 1.00 22.11 C ATOM 427 C GLY A 31 3.137 14.248 -7.201 1.00 5.43 C ATOM 428 O GLY A 31 2.040 13.856 -7.592 1.00 40.02 O ATOM 0 H GLY A 31 2.189 12.262 -6.016 1.00 5.23 H new ATOM 0 HA2 GLY A 31 3.641 14.231 -5.135 1.00 22.11 H new ATOM 0 HA3 GLY A 31 4.845 13.500 -6.178 1.00 22.11 H new ATOM 432 N ARG A 32 3.777 15.229 -7.774 1.00 34.44 N ATOM 433 CA ARG A 32 3.237 15.850 -8.965 1.00 51.11 C ATOM 434 C ARG A 32 4.241 15.726 -10.077 1.00 13.45 C ATOM 435 O ARG A 32 5.246 16.428 -10.088 1.00 23.54 O ATOM 436 CB ARG A 32 2.903 17.328 -8.746 1.00 4.22 C ATOM 437 CG ARG A 32 1.903 17.618 -7.644 1.00 0.42 C ATOM 438 CD ARG A 32 1.536 19.094 -7.660 1.00 32.54 C ATOM 439 NE ARG A 32 0.629 19.485 -6.575 1.00 55.41 N ATOM 440 CZ ARG A 32 -0.167 20.566 -6.606 1.00 40.32 C ATOM 441 NH1 ARG A 32 -0.303 21.273 -7.728 1.00 3.21 N ATOM 442 NH2 ARG A 32 -0.840 20.923 -5.525 1.00 2.45 N ATOM 0 H ARG A 32 4.662 15.616 -7.446 1.00 34.44 H new ATOM 0 HA ARG A 32 2.309 15.338 -9.220 1.00 51.11 H new ATOM 0 HB2 ARG A 32 3.827 17.861 -8.523 1.00 4.22 H new ATOM 0 HB3 ARG A 32 2.516 17.737 -9.680 1.00 4.22 H new ATOM 0 HG2 ARG A 32 1.009 17.010 -7.782 1.00 0.42 H new ATOM 0 HG3 ARG A 32 2.326 17.349 -6.676 1.00 0.42 H new ATOM 0 HD2 ARG A 32 2.448 19.687 -7.592 1.00 32.54 H new ATOM 0 HD3 ARG A 32 1.070 19.334 -8.616 1.00 32.54 H new ATOM 0 HE ARG A 32 0.601 18.897 -5.742 1.00 55.41 H new ATOM 0 HH11 ARG A 32 0.199 20.994 -8.571 1.00 3.21 H new ATOM 0 HH12 ARG A 32 -0.910 22.093 -7.744 1.00 3.21 H new ATOM 0 HH21 ARG A 32 -0.754 20.377 -4.668 1.00 2.45 H new ATOM 0 HH22 ARG A 32 -1.445 21.744 -5.549 1.00 2.45 H new ATOM 456 N GLY A 33 3.959 14.861 -11.008 1.00 15.23 N ATOM 457 CA GLY A 33 4.859 14.603 -12.089 1.00 51.42 C ATOM 458 C GLY A 33 4.211 13.722 -13.114 1.00 75.40 C ATOM 459 O GLY A 33 3.062 13.301 -12.932 1.00 71.12 O ATOM 0 H GLY A 33 3.098 14.316 -11.037 1.00 15.23 H new ATOM 0 HA2 GLY A 33 5.163 15.543 -12.549 1.00 51.42 H new ATOM 0 HA3 GLY A 33 5.763 14.126 -11.711 1.00 51.42 H new ATOM 463 N GLN A 34 4.929 13.428 -14.168 1.00 45.43 N ATOM 464 CA GLN A 34 4.410 12.640 -15.268 1.00 3.44 C ATOM 465 C GLN A 34 4.065 11.205 -14.861 1.00 32.02 C ATOM 466 O GLN A 34 2.972 10.711 -15.165 1.00 4.45 O ATOM 467 CB GLN A 34 5.373 12.664 -16.460 1.00 35.03 C ATOM 468 CG GLN A 34 6.793 12.186 -16.159 1.00 43.21 C ATOM 469 CD GLN A 34 7.672 12.213 -17.385 1.00 34.14 C ATOM 470 OE1 GLN A 34 7.192 12.049 -18.506 1.00 5.24 O ATOM 471 NE2 GLN A 34 8.950 12.414 -17.194 1.00 63.03 N ATOM 0 H GLN A 34 5.896 13.728 -14.292 1.00 45.43 H new ATOM 0 HA GLN A 34 3.473 13.105 -15.572 1.00 3.44 H new ATOM 0 HB2 GLN A 34 4.958 12.043 -17.254 1.00 35.03 H new ATOM 0 HB3 GLN A 34 5.424 13.682 -16.845 1.00 35.03 H new ATOM 0 HG2 GLN A 34 7.231 12.817 -15.385 1.00 43.21 H new ATOM 0 HG3 GLN A 34 6.757 11.172 -15.761 1.00 43.21 H new ATOM 0 HE21 GLN A 34 9.310 12.546 -16.249 1.00 63.03 H new ATOM 0 HE22 GLN A 34 9.587 12.439 -17.990 1.00 63.03 H new ATOM 480 N ASP A 35 4.958 10.566 -14.146 1.00 13.22 N ATOM 481 CA ASP A 35 4.777 9.174 -13.752 1.00 32.24 C ATOM 482 C ASP A 35 4.155 9.072 -12.375 1.00 51.24 C ATOM 483 O ASP A 35 3.931 7.976 -11.863 1.00 23.14 O ATOM 484 CB ASP A 35 6.102 8.422 -13.801 1.00 74.54 C ATOM 485 CG ASP A 35 7.130 8.967 -12.849 1.00 65.42 C ATOM 486 OD1 ASP A 35 7.685 10.041 -13.120 1.00 33.44 O ATOM 487 OD2 ASP A 35 7.413 8.323 -11.834 1.00 12.43 O ATOM 0 H ASP A 35 5.828 10.985 -13.818 1.00 13.22 H new ATOM 0 HA ASP A 35 4.093 8.712 -14.464 1.00 32.24 H new ATOM 0 HB2 ASP A 35 5.924 7.371 -13.571 1.00 74.54 H new ATOM 0 HB3 ASP A 35 6.498 8.463 -14.816 1.00 74.54 H new ATOM 492 N ALA A 36 3.850 10.215 -11.792 1.00 15.11 N ATOM 493 CA ALA A 36 3.184 10.261 -10.516 1.00 13.24 C ATOM 494 C ALA A 36 1.750 9.823 -10.706 1.00 40.23 C ATOM 495 O ALA A 36 1.024 10.378 -11.539 1.00 32.34 O ATOM 496 CB ALA A 36 3.248 11.654 -9.921 1.00 43.51 C ATOM 0 H ALA A 36 4.058 11.130 -12.191 1.00 15.11 H new ATOM 0 HA ALA A 36 3.684 9.589 -9.819 1.00 13.24 H new ATOM 0 HB1 ALA A 36 2.738 11.662 -8.958 1.00 43.51 H new ATOM 0 HB2 ALA A 36 4.290 11.943 -9.782 1.00 43.51 H new ATOM 0 HB3 ALA A 36 2.762 12.360 -10.595 1.00 43.51 H new ATOM 502 N GLN A 37 1.361 8.830 -9.971 1.00 61.33 N ATOM 503 CA GLN A 37 0.056 8.236 -10.091 1.00 50.31 C ATOM 504 C GLN A 37 -0.915 8.953 -9.174 1.00 20.03 C ATOM 505 O GLN A 37 -2.077 9.188 -9.517 1.00 75.32 O ATOM 506 CB GLN A 37 0.145 6.755 -9.710 1.00 33.13 C ATOM 507 CG GLN A 37 1.186 5.972 -10.509 1.00 45.13 C ATOM 508 CD GLN A 37 0.901 5.952 -11.999 1.00 63.52 C ATOM 509 OE1 GLN A 37 -0.249 5.983 -12.430 1.00 21.44 O ATOM 510 NE2 GLN A 37 1.933 5.936 -12.789 1.00 62.43 N ATOM 0 H GLN A 37 1.947 8.398 -9.257 1.00 61.33 H new ATOM 0 HA GLN A 37 -0.300 8.325 -11.118 1.00 50.31 H new ATOM 0 HB2 GLN A 37 0.381 6.676 -8.649 1.00 33.13 H new ATOM 0 HB3 GLN A 37 -0.832 6.293 -9.854 1.00 33.13 H new ATOM 0 HG2 GLN A 37 2.170 6.409 -10.339 1.00 45.13 H new ATOM 0 HG3 GLN A 37 1.224 4.948 -10.139 1.00 45.13 H new ATOM 0 HE21 GLN A 37 2.875 5.910 -12.398 1.00 62.43 H new ATOM 0 HE22 GLN A 37 1.801 5.949 -13.800 1.00 62.43 H new ATOM 519 N PHE A 38 -0.426 9.314 -8.022 1.00 14.44 N ATOM 520 CA PHE A 38 -1.219 9.971 -7.033 1.00 61.33 C ATOM 521 C PHE A 38 -0.645 11.352 -6.775 1.00 52.41 C ATOM 522 O PHE A 38 0.477 11.495 -6.277 1.00 75.00 O ATOM 523 CB PHE A 38 -1.265 9.115 -5.765 1.00 60.44 C ATOM 524 CG PHE A 38 -2.054 9.696 -4.628 1.00 65.14 C ATOM 525 CD1 PHE A 38 -3.437 9.742 -4.664 1.00 1.35 C ATOM 526 CD2 PHE A 38 -1.406 10.170 -3.511 1.00 31.23 C ATOM 527 CE1 PHE A 38 -4.149 10.259 -3.600 1.00 4.40 C ATOM 528 CE2 PHE A 38 -2.096 10.686 -2.454 1.00 62.12 C ATOM 529 CZ PHE A 38 -3.475 10.734 -2.491 1.00 52.43 C ATOM 0 H PHE A 38 0.543 9.157 -7.744 1.00 14.44 H new ATOM 0 HA PHE A 38 -2.245 10.095 -7.380 1.00 61.33 H new ATOM 0 HB2 PHE A 38 -1.686 8.142 -6.018 1.00 60.44 H new ATOM 0 HB3 PHE A 38 -0.244 8.942 -5.426 1.00 60.44 H new ATOM 0 HD1 PHE A 38 -3.963 9.371 -5.531 1.00 1.35 H new ATOM 0 HD2 PHE A 38 -0.327 10.133 -3.470 1.00 31.23 H new ATOM 0 HE1 PHE A 38 -5.228 10.292 -3.634 1.00 4.40 H new ATOM 0 HE2 PHE A 38 -1.565 11.056 -1.590 1.00 62.12 H new ATOM 0 HZ PHE A 38 -4.025 11.141 -1.656 1.00 52.43 H new ATOM 539 N ARG A 39 -1.389 12.351 -7.164 1.00 52.40 N ATOM 540 CA ARG A 39 -0.968 13.722 -7.028 1.00 52.23 C ATOM 541 C ARG A 39 -1.388 14.291 -5.697 1.00 10.33 C ATOM 542 O ARG A 39 -2.532 14.133 -5.274 1.00 52.21 O ATOM 543 CB ARG A 39 -1.473 14.602 -8.187 1.00 2.13 C ATOM 544 CG ARG A 39 -0.643 14.526 -9.476 1.00 53.12 C ATOM 545 CD ARG A 39 -0.619 13.144 -10.124 1.00 32.10 C ATOM 546 NE ARG A 39 -1.933 12.733 -10.641 1.00 62.11 N ATOM 547 CZ ARG A 39 -2.145 12.232 -11.870 1.00 30.34 C ATOM 548 NH1 ARG A 39 -1.132 12.076 -12.713 1.00 11.41 N ATOM 549 NH2 ARG A 39 -3.368 11.881 -12.244 1.00 31.45 N ATOM 0 H ARG A 39 -2.310 12.238 -7.587 1.00 52.40 H new ATOM 0 HA ARG A 39 0.121 13.725 -7.072 1.00 52.23 H new ATOM 0 HB2 ARG A 39 -2.499 14.317 -8.418 1.00 2.13 H new ATOM 0 HB3 ARG A 39 -1.498 15.639 -7.851 1.00 2.13 H new ATOM 0 HG2 ARG A 39 -1.040 15.244 -10.193 1.00 53.12 H new ATOM 0 HG3 ARG A 39 0.380 14.829 -9.254 1.00 53.12 H new ATOM 0 HD2 ARG A 39 0.104 13.143 -10.940 1.00 32.10 H new ATOM 0 HD3 ARG A 39 -0.276 12.411 -9.394 1.00 32.10 H new ATOM 0 HE ARG A 39 -2.739 12.835 -10.024 1.00 62.11 H new ATOM 0 HH11 ARG A 39 -0.188 12.337 -12.429 1.00 11.41 H new ATOM 0 HH12 ARG A 39 -1.298 11.695 -13.645 1.00 11.41 H new ATOM 0 HH21 ARG A 39 -4.150 11.991 -11.598 1.00 31.45 H new ATOM 0 HH22 ARG A 39 -3.527 11.501 -13.177 1.00 31.45 H new ATOM 563 N LEU A 40 -0.465 14.952 -5.053 1.00 61.10 N ATOM 564 CA LEU A 40 -0.691 15.528 -3.750 1.00 4.41 C ATOM 565 C LEU A 40 -1.223 16.949 -3.850 1.00 51.20 C ATOM 566 O LEU A 40 -0.770 17.721 -4.702 1.00 41.22 O ATOM 567 CB LEU A 40 0.597 15.500 -2.939 1.00 12.32 C ATOM 568 CG LEU A 40 1.060 14.121 -2.499 1.00 4.32 C ATOM 569 CD1 LEU A 40 2.452 14.195 -1.924 1.00 11.12 C ATOM 570 CD2 LEU A 40 0.099 13.543 -1.464 1.00 13.15 C ATOM 0 H LEU A 40 0.474 15.109 -5.419 1.00 61.10 H new ATOM 0 HA LEU A 40 -1.448 14.929 -3.244 1.00 4.41 H new ATOM 0 HB2 LEU A 40 1.389 15.959 -3.531 1.00 12.32 H new ATOM 0 HB3 LEU A 40 0.462 16.119 -2.052 1.00 12.32 H new ATOM 0 HG LEU A 40 1.073 13.467 -3.371 1.00 4.32 H new ATOM 0 HD11 LEU A 40 2.771 13.200 -1.613 1.00 11.12 H new ATOM 0 HD12 LEU A 40 3.138 14.576 -2.680 1.00 11.12 H new ATOM 0 HD13 LEU A 40 2.455 14.863 -1.062 1.00 11.12 H new ATOM 0 HD21 LEU A 40 0.444 12.555 -1.159 1.00 13.15 H new ATOM 0 HD22 LEU A 40 0.063 14.199 -0.595 1.00 13.15 H new ATOM 0 HD23 LEU A 40 -0.897 13.461 -1.898 1.00 13.15 H new ATOM 582 N PRO A 41 -2.188 17.319 -2.977 1.00 4.21 N ATOM 583 CA PRO A 41 -2.786 18.664 -2.962 1.00 74.55 C ATOM 584 C PRO A 41 -1.797 19.728 -2.466 1.00 65.23 C ATOM 585 O PRO A 41 -1.923 20.916 -2.791 1.00 41.31 O ATOM 586 CB PRO A 41 -3.956 18.538 -1.971 1.00 64.45 C ATOM 587 CG PRO A 41 -4.135 17.073 -1.736 1.00 25.31 C ATOM 588 CD PRO A 41 -2.796 16.449 -1.950 1.00 43.55 C ATOM 0 HA PRO A 41 -3.089 18.980 -3.960 1.00 74.55 H new ATOM 0 HB2 PRO A 41 -3.737 19.060 -1.039 1.00 64.45 H new ATOM 0 HB3 PRO A 41 -4.864 18.982 -2.379 1.00 64.45 H new ATOM 0 HG2 PRO A 41 -4.496 16.882 -0.725 1.00 25.31 H new ATOM 0 HG3 PRO A 41 -4.873 16.656 -2.422 1.00 25.31 H new ATOM 0 HD2 PRO A 41 -2.206 16.433 -1.033 1.00 43.55 H new ATOM 0 HD3 PRO A 41 -2.881 15.418 -2.293 1.00 43.55 H new ATOM 596 N ASP A 42 -0.806 19.285 -1.713 1.00 52.11 N ATOM 597 CA ASP A 42 0.224 20.167 -1.160 1.00 12.23 C ATOM 598 C ASP A 42 1.150 20.631 -2.277 1.00 1.14 C ATOM 599 O ASP A 42 1.158 20.045 -3.370 1.00 33.20 O ATOM 600 CB ASP A 42 1.044 19.421 -0.096 1.00 4.01 C ATOM 601 CG ASP A 42 2.039 20.309 0.648 1.00 64.14 C ATOM 602 OD1 ASP A 42 1.745 21.523 0.838 1.00 51.22 O ATOM 603 OD2 ASP A 42 3.136 19.828 1.011 1.00 1.02 O ATOM 0 H ASP A 42 -0.686 18.303 -1.463 1.00 52.11 H new ATOM 0 HA ASP A 42 -0.258 21.029 -0.699 1.00 12.23 H new ATOM 0 HB2 ASP A 42 0.362 18.971 0.626 1.00 4.01 H new ATOM 0 HB3 ASP A 42 1.586 18.605 -0.574 1.00 4.01 H new ATOM 608 N THR A 43 1.915 21.644 -2.013 1.00 21.54 N ATOM 609 CA THR A 43 2.815 22.171 -2.968 1.00 51.12 C ATOM 610 C THR A 43 4.196 22.295 -2.316 1.00 43.41 C ATOM 611 O THR A 43 4.304 22.519 -1.102 1.00 23.20 O ATOM 612 CB THR A 43 2.286 23.501 -3.549 1.00 74.43 C ATOM 613 OG1 THR A 43 3.107 23.943 -4.634 1.00 14.11 O ATOM 614 CG2 THR A 43 2.197 24.595 -2.499 1.00 33.43 C ATOM 0 H THR A 43 1.926 22.128 -1.115 1.00 21.54 H new ATOM 0 HA THR A 43 2.906 21.500 -3.822 1.00 51.12 H new ATOM 0 HB THR A 43 1.278 23.303 -3.912 1.00 74.43 H new ATOM 0 HG1 THR A 43 2.754 24.786 -4.989 1.00 14.11 H new ATOM 0 HG21 THR A 43 1.820 25.509 -2.957 1.00 33.43 H new ATOM 0 HG22 THR A 43 1.520 24.282 -1.704 1.00 33.43 H new ATOM 0 HG23 THR A 43 3.187 24.780 -2.081 1.00 33.43 H new ATOM 622 N GLY A 44 5.238 22.159 -3.101 1.00 41.11 N ATOM 623 CA GLY A 44 6.570 22.012 -2.539 1.00 22.42 C ATOM 624 C GLY A 44 6.921 20.541 -2.576 1.00 21.31 C ATOM 625 O GLY A 44 7.904 20.071 -1.989 1.00 13.44 O ATOM 0 H GLY A 44 5.197 22.146 -4.120 1.00 41.11 H new ATOM 0 HA2 GLY A 44 7.293 22.593 -3.111 1.00 22.42 H new ATOM 0 HA3 GLY A 44 6.598 22.387 -1.516 1.00 22.42 H new ATOM 629 N VAL A 45 6.060 19.835 -3.256 1.00 61.51 N ATOM 630 CA VAL A 45 6.107 18.422 -3.458 1.00 74.12 C ATOM 631 C VAL A 45 6.946 18.131 -4.705 1.00 72.43 C ATOM 632 O VAL A 45 6.926 18.906 -5.660 1.00 55.53 O ATOM 633 CB VAL A 45 4.638 17.890 -3.622 1.00 13.34 C ATOM 634 CG1 VAL A 45 3.896 18.613 -4.734 1.00 3.11 C ATOM 635 CG2 VAL A 45 4.591 16.407 -3.857 1.00 74.35 C ATOM 0 H VAL A 45 5.255 20.265 -3.712 1.00 61.51 H new ATOM 0 HA VAL A 45 6.566 17.918 -2.608 1.00 74.12 H new ATOM 0 HB VAL A 45 4.137 18.098 -2.677 1.00 13.34 H new ATOM 0 HG11 VAL A 45 2.884 18.215 -4.815 1.00 3.11 H new ATOM 0 HG12 VAL A 45 3.850 19.678 -4.508 1.00 3.11 H new ATOM 0 HG13 VAL A 45 4.421 18.464 -5.678 1.00 3.11 H new ATOM 0 HG21 VAL A 45 3.554 16.088 -3.964 1.00 74.35 H new ATOM 0 HG22 VAL A 45 5.141 16.165 -4.767 1.00 74.35 H new ATOM 0 HG23 VAL A 45 5.044 15.890 -3.011 1.00 74.35 H new ATOM 645 N SER A 46 7.701 17.074 -4.676 1.00 25.31 N ATOM 646 CA SER A 46 8.543 16.708 -5.791 1.00 10.20 C ATOM 647 C SER A 46 7.695 16.043 -6.900 1.00 70.51 C ATOM 648 O SER A 46 6.505 15.728 -6.685 1.00 71.00 O ATOM 649 CB SER A 46 9.577 15.712 -5.295 1.00 31.32 C ATOM 650 OG SER A 46 10.168 16.125 -4.069 1.00 41.43 O ATOM 0 H SER A 46 7.755 16.436 -3.882 1.00 25.31 H new ATOM 0 HA SER A 46 9.024 17.597 -6.198 1.00 10.20 H new ATOM 0 HB2 SER A 46 9.107 14.738 -5.161 1.00 31.32 H new ATOM 0 HB3 SER A 46 10.354 15.590 -6.049 1.00 31.32 H new ATOM 0 HG SER A 46 10.497 15.340 -3.583 1.00 41.43 H new ATOM 656 N ARG A 47 8.290 15.843 -8.088 1.00 43.12 N ATOM 657 CA ARG A 47 7.618 15.079 -9.147 1.00 64.22 C ATOM 658 C ARG A 47 7.456 13.648 -8.697 1.00 75.33 C ATOM 659 O ARG A 47 6.446 12.999 -8.952 1.00 23.03 O ATOM 660 CB ARG A 47 8.324 15.199 -10.515 1.00 1.43 C ATOM 661 CG ARG A 47 9.806 14.890 -10.516 1.00 72.02 C ATOM 662 CD ARG A 47 10.418 15.153 -11.874 1.00 61.14 C ATOM 663 NE ARG A 47 11.875 15.009 -11.853 1.00 32.52 N ATOM 664 CZ ARG A 47 12.728 15.676 -12.642 1.00 24.12 C ATOM 665 NH1 ARG A 47 12.273 16.462 -13.612 1.00 72.25 N ATOM 666 NH2 ARG A 47 14.038 15.522 -12.472 1.00 44.50 N ATOM 0 H ARG A 47 9.216 16.193 -8.334 1.00 43.12 H new ATOM 0 HA ARG A 47 6.629 15.508 -9.310 1.00 64.22 H new ATOM 0 HB2 ARG A 47 7.831 14.528 -11.218 1.00 1.43 H new ATOM 0 HB3 ARG A 47 8.182 16.213 -10.889 1.00 1.43 H new ATOM 0 HG2 ARG A 47 10.308 15.499 -9.764 1.00 72.02 H new ATOM 0 HG3 ARG A 47 9.963 13.848 -10.239 1.00 72.02 H new ATOM 0 HD2 ARG A 47 9.995 14.462 -12.603 1.00 61.14 H new ATOM 0 HD3 ARG A 47 10.157 16.160 -12.201 1.00 61.14 H new ATOM 0 HE ARG A 47 12.272 14.349 -11.185 1.00 32.52 H new ATOM 0 HH11 ARG A 47 11.269 16.561 -13.760 1.00 72.25 H new ATOM 0 HH12 ARG A 47 12.928 16.967 -14.209 1.00 72.25 H new ATOM 0 HH21 ARG A 47 14.388 14.899 -11.744 1.00 44.50 H new ATOM 0 HH22 ARG A 47 14.693 16.027 -13.069 1.00 44.50 H new ATOM 680 N ARG A 48 8.457 13.188 -8.008 1.00 3.34 N ATOM 681 CA ARG A 48 8.427 11.960 -7.303 1.00 52.22 C ATOM 682 C ARG A 48 8.763 12.315 -5.886 1.00 14.43 C ATOM 683 O ARG A 48 9.907 12.583 -5.569 1.00 4.31 O ATOM 684 CB ARG A 48 9.427 10.955 -7.852 1.00 43.34 C ATOM 685 CG ARG A 48 9.102 10.405 -9.221 1.00 2.01 C ATOM 686 CD ARG A 48 10.156 9.406 -9.628 1.00 61.23 C ATOM 687 NE ARG A 48 9.840 8.724 -10.872 1.00 63.30 N ATOM 688 CZ ARG A 48 10.693 7.962 -11.557 1.00 3.33 C ATOM 689 NH1 ARG A 48 11.955 7.844 -11.159 1.00 74.52 N ATOM 690 NH2 ARG A 48 10.281 7.326 -12.641 1.00 21.33 N ATOM 0 H ARG A 48 9.345 13.682 -7.924 1.00 3.34 H new ATOM 0 HA ARG A 48 7.452 11.482 -7.396 1.00 52.22 H new ATOM 0 HB2 ARG A 48 10.408 11.428 -7.892 1.00 43.34 H new ATOM 0 HB3 ARG A 48 9.502 10.123 -7.152 1.00 43.34 H new ATOM 0 HG2 ARG A 48 8.121 9.930 -9.210 1.00 2.01 H new ATOM 0 HG3 ARG A 48 9.055 11.216 -9.948 1.00 2.01 H new ATOM 0 HD2 ARG A 48 11.113 9.918 -9.733 1.00 61.23 H new ATOM 0 HD3 ARG A 48 10.275 8.668 -8.835 1.00 61.23 H new ATOM 0 HE ARG A 48 8.898 8.836 -11.248 1.00 63.30 H new ATOM 0 HH11 ARG A 48 12.275 8.338 -10.326 1.00 74.52 H new ATOM 0 HH12 ARG A 48 12.604 7.260 -11.687 1.00 74.52 H new ATOM 0 HH21 ARG A 48 9.314 7.419 -12.950 1.00 21.33 H new ATOM 0 HH22 ARG A 48 10.931 6.742 -13.168 1.00 21.33 H new ATOM 704 N HIS A 49 7.762 12.403 -5.071 1.00 22.51 N ATOM 705 CA HIS A 49 7.900 12.861 -3.700 1.00 31.10 C ATOM 706 C HIS A 49 8.047 11.686 -2.815 1.00 54.54 C ATOM 707 O HIS A 49 8.724 11.742 -1.818 1.00 41.31 O ATOM 708 CB HIS A 49 6.664 13.709 -3.296 1.00 52.31 C ATOM 709 CG HIS A 49 6.566 14.114 -1.826 1.00 3.12 C ATOM 710 ND1 HIS A 49 6.916 15.374 -1.383 1.00 45.41 N ATOM 711 CD2 HIS A 49 6.109 13.391 -0.773 1.00 31.31 C ATOM 712 CE1 HIS A 49 6.658 15.367 -0.065 1.00 23.34 C ATOM 713 NE2 HIS A 49 6.174 14.190 0.332 1.00 5.03 N ATOM 0 H HIS A 49 6.806 12.158 -5.329 1.00 22.51 H new ATOM 0 HA HIS A 49 8.784 13.491 -3.605 1.00 31.10 H new ATOM 0 HB2 HIS A 49 6.660 14.616 -3.901 1.00 52.31 H new ATOM 0 HB3 HIS A 49 5.766 13.149 -3.556 1.00 52.31 H new ATOM 0 HD2 HIS A 49 5.758 12.370 -0.803 1.00 31.31 H new ATOM 0 HE1 HIS A 49 6.822 16.209 0.591 1.00 23.34 H new ATOM 0 HE2 HIS A 49 5.903 13.935 1.282 1.00 5.03 H new ATOM 721 N LEU A 50 7.417 10.623 -3.190 1.00 53.52 N ATOM 722 CA LEU A 50 7.437 9.448 -2.416 1.00 61.11 C ATOM 723 C LEU A 50 6.889 8.310 -3.230 1.00 71.14 C ATOM 724 O LEU A 50 5.996 8.501 -4.057 1.00 74.13 O ATOM 725 CB LEU A 50 6.639 9.699 -1.111 1.00 1.40 C ATOM 726 CG LEU A 50 6.457 8.544 -0.147 1.00 72.13 C ATOM 727 CD1 LEU A 50 6.328 9.100 1.246 1.00 53.03 C ATOM 728 CD2 LEU A 50 5.189 7.795 -0.487 1.00 5.25 C ATOM 0 H LEU A 50 6.873 10.555 -4.050 1.00 53.52 H new ATOM 0 HA LEU A 50 8.453 9.175 -2.132 1.00 61.11 H new ATOM 0 HB2 LEU A 50 7.131 10.508 -0.571 1.00 1.40 H new ATOM 0 HB3 LEU A 50 5.649 10.058 -1.391 1.00 1.40 H new ATOM 0 HG LEU A 50 7.310 7.869 -0.215 1.00 72.13 H new ATOM 0 HD11 LEU A 50 6.196 8.282 1.954 1.00 53.03 H new ATOM 0 HD12 LEU A 50 7.229 9.658 1.500 1.00 53.03 H new ATOM 0 HD13 LEU A 50 5.465 9.764 1.294 1.00 53.03 H new ATOM 0 HD21 LEU A 50 5.060 6.965 0.207 1.00 5.25 H new ATOM 0 HD22 LEU A 50 4.336 8.469 -0.409 1.00 5.25 H new ATOM 0 HD23 LEU A 50 5.256 7.410 -1.505 1.00 5.25 H new ATOM 740 N GLU A 51 7.454 7.167 -3.052 1.00 24.20 N ATOM 741 CA GLU A 51 6.975 5.985 -3.708 1.00 20.20 C ATOM 742 C GLU A 51 6.665 4.914 -2.696 1.00 11.20 C ATOM 743 O GLU A 51 7.498 4.580 -1.834 1.00 43.22 O ATOM 744 CB GLU A 51 7.948 5.453 -4.767 1.00 21.12 C ATOM 745 CG GLU A 51 9.383 5.317 -4.296 1.00 5.41 C ATOM 746 CD GLU A 51 10.207 4.416 -5.186 1.00 20.32 C ATOM 747 OE1 GLU A 51 10.434 4.744 -6.377 1.00 74.13 O ATOM 748 OE2 GLU A 51 10.610 3.328 -4.713 1.00 50.21 O ATOM 0 H GLU A 51 8.262 7.018 -2.448 1.00 24.20 H new ATOM 0 HA GLU A 51 6.062 6.265 -4.233 1.00 20.20 H new ATOM 0 HB2 GLU A 51 7.597 4.478 -5.106 1.00 21.12 H new ATOM 0 HB3 GLU A 51 7.924 6.119 -5.630 1.00 21.12 H new ATOM 0 HG2 GLU A 51 9.844 6.304 -4.259 1.00 5.41 H new ATOM 0 HG3 GLU A 51 9.392 4.923 -3.280 1.00 5.41 H new ATOM 755 N ILE A 52 5.472 4.409 -2.755 1.00 50.33 N ATOM 756 CA ILE A 52 5.105 3.320 -1.909 1.00 64.32 C ATOM 757 C ILE A 52 5.113 2.064 -2.721 1.00 55.04 C ATOM 758 O ILE A 52 4.287 1.904 -3.631 1.00 52.13 O ATOM 759 CB ILE A 52 3.704 3.474 -1.263 1.00 63.13 C ATOM 760 CG1 ILE A 52 3.629 4.735 -0.403 1.00 64.42 C ATOM 761 CG2 ILE A 52 3.405 2.238 -0.419 1.00 30.43 C ATOM 762 CD1 ILE A 52 2.270 4.985 0.234 1.00 1.42 C ATOM 0 H ILE A 52 4.736 4.735 -3.381 1.00 50.33 H new ATOM 0 HA ILE A 52 5.830 3.294 -1.096 1.00 64.32 H new ATOM 0 HB ILE A 52 2.959 3.569 -2.053 1.00 63.13 H new ATOM 0 HG12 ILE A 52 4.379 4.667 0.385 1.00 64.42 H new ATOM 0 HG13 ILE A 52 3.891 5.595 -1.019 1.00 64.42 H new ATOM 0 HG21 ILE A 52 2.421 2.339 0.039 1.00 30.43 H new ATOM 0 HG22 ILE A 52 3.421 1.352 -1.053 1.00 30.43 H new ATOM 0 HG23 ILE A 52 4.160 2.139 0.361 1.00 30.43 H new ATOM 0 HD11 ILE A 52 2.308 5.900 0.826 1.00 1.42 H new ATOM 0 HD12 ILE A 52 1.516 5.089 -0.546 1.00 1.42 H new ATOM 0 HD13 ILE A 52 2.011 4.146 0.880 1.00 1.42 H new ATOM 774 N ARG A 53 6.015 1.187 -2.429 1.00 10.25 N ATOM 775 CA ARG A 53 6.033 -0.061 -3.103 1.00 13.53 C ATOM 776 C ARG A 53 5.204 -1.030 -2.330 1.00 12.33 C ATOM 777 O ARG A 53 5.550 -1.425 -1.211 1.00 32.22 O ATOM 778 CB ARG A 53 7.438 -0.627 -3.311 1.00 20.14 C ATOM 779 CG ARG A 53 7.394 -2.032 -3.902 1.00 3.32 C ATOM 780 CD ARG A 53 8.754 -2.642 -4.082 1.00 61.31 C ATOM 781 NE ARG A 53 8.642 -4.056 -4.463 1.00 50.11 N ATOM 782 CZ ARG A 53 9.665 -4.863 -4.770 1.00 10.35 C ATOM 783 NH1 ARG A 53 10.905 -4.377 -4.859 1.00 11.14 N ATOM 784 NH2 ARG A 53 9.439 -6.150 -4.994 1.00 30.41 N ATOM 0 H ARG A 53 6.746 1.314 -1.729 1.00 10.25 H new ATOM 0 HA ARG A 53 5.625 0.102 -4.101 1.00 13.53 H new ATOM 0 HB2 ARG A 53 8.001 0.030 -3.974 1.00 20.14 H new ATOM 0 HB3 ARG A 53 7.967 -0.649 -2.358 1.00 20.14 H new ATOM 0 HG2 ARG A 53 6.798 -2.674 -3.253 1.00 3.32 H new ATOM 0 HG3 ARG A 53 6.888 -1.997 -4.867 1.00 3.32 H new ATOM 0 HD2 ARG A 53 9.304 -2.096 -4.848 1.00 61.31 H new ATOM 0 HD3 ARG A 53 9.323 -2.553 -3.157 1.00 61.31 H new ATOM 0 HE ARG A 53 7.705 -4.457 -4.497 1.00 50.11 H new ATOM 0 HH11 ARG A 53 11.077 -3.386 -4.693 1.00 11.14 H new ATOM 0 HH12 ARG A 53 11.680 -4.997 -5.093 1.00 11.14 H new ATOM 0 HH21 ARG A 53 8.490 -6.520 -4.932 1.00 30.41 H new ATOM 0 HH22 ARG A 53 10.214 -6.771 -5.228 1.00 30.41 H new ATOM 798 N TRP A 54 4.110 -1.367 -2.888 1.00 33.11 N ATOM 799 CA TRP A 54 3.254 -2.302 -2.304 1.00 52.21 C ATOM 800 C TRP A 54 3.468 -3.636 -2.969 1.00 44.14 C ATOM 801 O TRP A 54 3.184 -3.818 -4.166 1.00 71.10 O ATOM 802 CB TRP A 54 1.791 -1.841 -2.381 1.00 43.14 C ATOM 803 CG TRP A 54 0.815 -2.890 -1.919 1.00 10.51 C ATOM 804 CD1 TRP A 54 -0.259 -3.356 -2.602 1.00 2.53 C ATOM 805 CD2 TRP A 54 0.863 -3.641 -0.692 1.00 63.23 C ATOM 806 NE1 TRP A 54 -0.886 -4.337 -1.882 1.00 50.41 N ATOM 807 CE2 TRP A 54 -0.217 -4.533 -0.708 1.00 40.50 C ATOM 808 CE3 TRP A 54 1.711 -3.640 0.413 1.00 45.21 C ATOM 809 CZ2 TRP A 54 -0.467 -5.422 0.337 1.00 11.23 C ATOM 810 CZ3 TRP A 54 1.468 -4.516 1.448 1.00 21.32 C ATOM 811 CH2 TRP A 54 0.388 -5.397 1.406 1.00 52.30 C ATOM 0 H TRP A 54 3.783 -0.992 -3.778 1.00 33.11 H new ATOM 0 HA TRP A 54 3.484 -2.400 -1.243 1.00 52.21 H new ATOM 0 HB2 TRP A 54 1.666 -0.945 -1.773 1.00 43.14 H new ATOM 0 HB3 TRP A 54 1.557 -1.564 -3.409 1.00 43.14 H new ATOM 0 HD1 TRP A 54 -0.574 -3.004 -3.573 1.00 2.53 H new ATOM 0 HE1 TRP A 54 -1.722 -4.842 -2.176 1.00 50.41 H new ATOM 0 HE3 TRP A 54 2.549 -2.960 0.458 1.00 45.21 H new ATOM 0 HZ2 TRP A 54 -1.303 -6.104 0.304 1.00 11.23 H new ATOM 0 HZ3 TRP A 54 2.124 -4.520 2.306 1.00 21.32 H new ATOM 0 HH2 TRP A 54 0.223 -6.072 2.232 1.00 52.30 H new ATOM 822 N ASP A 55 4.029 -4.536 -2.239 1.00 50.22 N ATOM 823 CA ASP A 55 4.243 -5.866 -2.728 1.00 2.41 C ATOM 824 C ASP A 55 3.405 -6.759 -1.840 1.00 43.12 C ATOM 825 O ASP A 55 2.891 -6.284 -0.841 1.00 1.31 O ATOM 826 CB ASP A 55 5.728 -6.248 -2.640 1.00 51.23 C ATOM 827 CG ASP A 55 6.109 -7.317 -3.644 1.00 12.24 C ATOM 828 OD1 ASP A 55 5.555 -8.424 -3.600 1.00 11.40 O ATOM 829 OD2 ASP A 55 6.943 -7.043 -4.538 1.00 64.15 O ATOM 0 H ASP A 55 4.355 -4.378 -1.285 1.00 50.22 H new ATOM 0 HA ASP A 55 3.962 -5.961 -3.777 1.00 2.41 H new ATOM 0 HB2 ASP A 55 6.339 -5.361 -2.808 1.00 51.23 H new ATOM 0 HB3 ASP A 55 5.950 -6.603 -1.634 1.00 51.23 H new ATOM 834 N GLY A 56 3.316 -8.026 -2.120 1.00 63.32 N ATOM 835 CA GLY A 56 2.429 -8.892 -1.344 1.00 53.43 C ATOM 836 C GLY A 56 3.053 -9.359 -0.033 1.00 40.43 C ATOM 837 O GLY A 56 2.757 -10.451 0.456 1.00 74.14 O ATOM 0 H GLY A 56 3.832 -8.493 -2.866 1.00 63.32 H new ATOM 0 HA2 GLY A 56 1.504 -8.357 -1.130 1.00 53.43 H new ATOM 0 HA3 GLY A 56 2.163 -9.762 -1.944 1.00 53.43 H new ATOM 841 N GLN A 57 3.877 -8.519 0.542 1.00 73.24 N ATOM 842 CA GLN A 57 4.604 -8.821 1.753 1.00 0.44 C ATOM 843 C GLN A 57 4.516 -7.632 2.704 1.00 24.31 C ATOM 844 O GLN A 57 3.906 -7.717 3.769 1.00 30.12 O ATOM 845 CB GLN A 57 6.077 -9.127 1.428 1.00 32.33 C ATOM 846 CG GLN A 57 6.286 -10.328 0.514 1.00 63.22 C ATOM 847 CD GLN A 57 7.734 -10.516 0.118 1.00 15.04 C ATOM 848 OE1 GLN A 57 8.189 -9.966 -0.884 1.00 2.24 O ATOM 849 NE2 GLN A 57 8.462 -11.291 0.870 1.00 22.21 N ATOM 0 H GLN A 57 4.066 -7.586 0.175 1.00 73.24 H new ATOM 0 HA GLN A 57 4.164 -9.699 2.226 1.00 0.44 H new ATOM 0 HB2 GLN A 57 6.523 -8.249 0.961 1.00 32.33 H new ATOM 0 HB3 GLN A 57 6.614 -9.299 2.361 1.00 32.33 H new ATOM 0 HG2 GLN A 57 5.931 -11.228 1.017 1.00 63.22 H new ATOM 0 HG3 GLN A 57 5.681 -10.205 -0.384 1.00 63.22 H new ATOM 0 HE21 GLN A 57 8.054 -11.732 1.694 1.00 22.21 H new ATOM 0 HE22 GLN A 57 9.441 -11.457 0.635 1.00 22.21 H new ATOM 858 N VAL A 58 5.112 -6.520 2.297 1.00 25.44 N ATOM 859 CA VAL A 58 5.130 -5.294 3.084 1.00 21.25 C ATOM 860 C VAL A 58 4.936 -4.097 2.171 1.00 24.53 C ATOM 861 O VAL A 58 5.142 -4.197 0.948 1.00 31.11 O ATOM 862 CB VAL A 58 6.470 -5.096 3.874 1.00 53.24 C ATOM 863 CG1 VAL A 58 6.633 -6.130 4.970 1.00 21.12 C ATOM 864 CG2 VAL A 58 7.673 -5.129 2.933 1.00 3.20 C ATOM 0 H VAL A 58 5.600 -6.442 1.405 1.00 25.44 H new ATOM 0 HA VAL A 58 4.319 -5.377 3.808 1.00 21.25 H new ATOM 0 HB VAL A 58 6.422 -4.113 4.343 1.00 53.24 H new ATOM 0 HG11 VAL A 58 7.573 -5.959 5.494 1.00 21.12 H new ATOM 0 HG12 VAL A 58 5.805 -6.048 5.674 1.00 21.12 H new ATOM 0 HG13 VAL A 58 6.638 -7.128 4.531 1.00 21.12 H new ATOM 0 HG21 VAL A 58 8.589 -4.989 3.508 1.00 3.20 H new ATOM 0 HG22 VAL A 58 7.709 -6.091 2.422 1.00 3.20 H new ATOM 0 HG23 VAL A 58 7.581 -4.330 2.197 1.00 3.20 H new ATOM 874 N ALA A 59 4.519 -2.996 2.749 1.00 24.12 N ATOM 875 CA ALA A 59 4.365 -1.759 2.024 1.00 32.42 C ATOM 876 C ALA A 59 5.523 -0.874 2.339 1.00 64.35 C ATOM 877 O ALA A 59 5.680 -0.380 3.467 1.00 61.05 O ATOM 878 CB ALA A 59 3.045 -1.082 2.341 1.00 71.33 C ATOM 0 H ALA A 59 4.277 -2.933 3.738 1.00 24.12 H new ATOM 0 HA ALA A 59 4.350 -1.970 0.955 1.00 32.42 H new ATOM 0 HB1 ALA A 59 2.967 -0.154 1.775 1.00 71.33 H new ATOM 0 HB2 ALA A 59 2.222 -1.743 2.069 1.00 71.33 H new ATOM 0 HB3 ALA A 59 2.996 -0.862 3.407 1.00 71.33 H new ATOM 884 N LEU A 60 6.333 -0.709 1.367 1.00 12.14 N ATOM 885 CA LEU A 60 7.532 0.040 1.484 1.00 54.24 C ATOM 886 C LEU A 60 7.348 1.476 1.173 1.00 12.32 C ATOM 887 O LEU A 60 6.968 1.862 0.074 1.00 10.30 O ATOM 888 CB LEU A 60 8.603 -0.588 0.662 1.00 13.11 C ATOM 889 CG LEU A 60 9.255 -1.755 1.341 1.00 53.55 C ATOM 890 CD1 LEU A 60 9.888 -2.681 0.324 1.00 15.13 C ATOM 891 CD2 LEU A 60 10.314 -1.266 2.320 1.00 53.30 C ATOM 0 H LEU A 60 6.181 -1.101 0.438 1.00 12.14 H new ATOM 0 HA LEU A 60 7.842 0.015 2.529 1.00 54.24 H new ATOM 0 HB2 LEU A 60 8.179 -0.917 -0.287 1.00 13.11 H new ATOM 0 HB3 LEU A 60 9.361 0.160 0.430 1.00 13.11 H new ATOM 0 HG LEU A 60 8.488 -2.306 1.885 1.00 53.55 H new ATOM 0 HD11 LEU A 60 10.355 -3.521 0.838 1.00 15.13 H new ATOM 0 HD12 LEU A 60 9.122 -3.053 -0.356 1.00 15.13 H new ATOM 0 HD13 LEU A 60 10.643 -2.137 -0.243 1.00 15.13 H new ATOM 0 HD21 LEU A 60 10.781 -2.121 2.808 1.00 53.30 H new ATOM 0 HD22 LEU A 60 11.072 -0.696 1.782 1.00 53.30 H new ATOM 0 HD23 LEU A 60 9.848 -0.630 3.072 1.00 53.30 H new ATOM 903 N LEU A 61 7.633 2.241 2.145 1.00 34.40 N ATOM 904 CA LEU A 61 7.485 3.668 2.109 1.00 10.24 C ATOM 905 C LEU A 61 8.857 4.279 1.867 1.00 5.12 C ATOM 906 O LEU A 61 9.729 4.227 2.731 1.00 41.42 O ATOM 907 CB LEU A 61 6.862 4.117 3.472 1.00 73.14 C ATOM 908 CG LEU A 61 6.451 5.597 3.715 1.00 31.22 C ATOM 909 CD1 LEU A 61 7.621 6.575 3.712 1.00 12.22 C ATOM 910 CD2 LEU A 61 5.383 6.014 2.732 1.00 43.15 C ATOM 0 H LEU A 61 7.993 1.894 3.034 1.00 34.40 H new ATOM 0 HA LEU A 61 6.825 4.000 1.307 1.00 10.24 H new ATOM 0 HB2 LEU A 61 5.972 3.508 3.633 1.00 73.14 H new ATOM 0 HB3 LEU A 61 7.575 3.851 4.252 1.00 73.14 H new ATOM 0 HG LEU A 61 6.046 5.640 4.726 1.00 31.22 H new ATOM 0 HD11 LEU A 61 7.251 7.585 3.888 1.00 12.22 H new ATOM 0 HD12 LEU A 61 8.324 6.304 4.499 1.00 12.22 H new ATOM 0 HD13 LEU A 61 8.125 6.536 2.746 1.00 12.22 H new ATOM 0 HD21 LEU A 61 5.106 7.052 2.915 1.00 43.15 H new ATOM 0 HD22 LEU A 61 5.765 5.914 1.716 1.00 43.15 H new ATOM 0 HD23 LEU A 61 4.507 5.377 2.855 1.00 43.15 H new ATOM 922 N ALA A 62 9.064 4.805 0.693 1.00 35.30 N ATOM 923 CA ALA A 62 10.311 5.447 0.377 1.00 71.44 C ATOM 924 C ALA A 62 10.069 6.902 0.035 1.00 42.20 C ATOM 925 O ALA A 62 9.383 7.215 -0.950 1.00 10.04 O ATOM 926 CB ALA A 62 11.019 4.726 -0.760 1.00 5.33 C ATOM 0 H ALA A 62 8.382 4.802 -0.066 1.00 35.30 H new ATOM 0 HA ALA A 62 10.962 5.400 1.250 1.00 71.44 H new ATOM 0 HB1 ALA A 62 11.960 5.230 -0.981 1.00 5.33 H new ATOM 0 HB2 ALA A 62 11.220 3.695 -0.468 1.00 5.33 H new ATOM 0 HB3 ALA A 62 10.386 4.735 -1.647 1.00 5.33 H new ATOM 932 N ASP A 63 10.604 7.775 0.849 1.00 3.04 N ATOM 933 CA ASP A 63 10.445 9.216 0.673 1.00 55.14 C ATOM 934 C ASP A 63 11.485 9.739 -0.275 1.00 75.43 C ATOM 935 O ASP A 63 12.665 9.349 -0.189 1.00 62.12 O ATOM 936 CB ASP A 63 10.571 9.946 2.013 1.00 32.31 C ATOM 937 CG ASP A 63 10.632 11.461 1.859 1.00 54.21 C ATOM 938 OD1 ASP A 63 9.569 12.097 1.756 1.00 42.23 O ATOM 939 OD2 ASP A 63 11.751 12.021 1.859 1.00 23.13 O ATOM 0 H ASP A 63 11.167 7.517 1.660 1.00 3.04 H new ATOM 0 HA ASP A 63 9.451 9.398 0.264 1.00 55.14 H new ATOM 0 HB2 ASP A 63 9.723 9.684 2.645 1.00 32.31 H new ATOM 0 HB3 ASP A 63 11.469 9.601 2.526 1.00 32.31 H new ATOM 944 N LEU A 64 11.064 10.569 -1.193 1.00 61.50 N ATOM 945 CA LEU A 64 11.961 11.184 -2.131 1.00 24.43 C ATOM 946 C LEU A 64 11.758 12.712 -2.073 1.00 52.13 C ATOM 947 O LEU A 64 11.141 13.303 -2.982 1.00 14.51 O ATOM 948 CB LEU A 64 11.612 10.715 -3.574 1.00 2.32 C ATOM 949 CG LEU A 64 11.349 9.213 -3.796 1.00 15.34 C ATOM 950 CD1 LEU A 64 10.978 8.947 -5.238 1.00 3.52 C ATOM 951 CD2 LEU A 64 12.528 8.353 -3.377 1.00 62.32 C ATOM 0 H LEU A 64 10.087 10.837 -1.310 1.00 61.50 H new ATOM 0 HA LEU A 64 12.987 10.911 -1.884 1.00 24.43 H new ATOM 0 HB2 LEU A 64 10.727 11.262 -3.899 1.00 2.32 H new ATOM 0 HB3 LEU A 64 12.430 11.013 -4.230 1.00 2.32 H new ATOM 0 HG LEU A 64 10.510 8.935 -3.158 1.00 15.34 H new ATOM 0 HD11 LEU A 64 10.796 7.881 -5.376 1.00 3.52 H new ATOM 0 HD12 LEU A 64 10.076 9.505 -5.491 1.00 3.52 H new ATOM 0 HD13 LEU A 64 11.794 9.263 -5.888 1.00 3.52 H new ATOM 0 HD21 LEU A 64 12.293 7.303 -3.553 1.00 62.32 H new ATOM 0 HD22 LEU A 64 13.406 8.631 -3.959 1.00 62.32 H new ATOM 0 HD23 LEU A 64 12.732 8.506 -2.317 1.00 62.32 H new ATOM 963 N ASN A 65 12.274 13.360 -1.039 1.00 44.44 N ATOM 964 CA ASN A 65 12.154 14.817 -0.930 1.00 64.34 C ATOM 965 C ASN A 65 13.030 15.333 0.212 1.00 35.02 C ATOM 966 O ASN A 65 12.884 14.928 1.346 1.00 52.12 O ATOM 967 CB ASN A 65 10.673 15.231 -0.695 1.00 70.44 C ATOM 968 CG ASN A 65 10.410 16.724 -0.887 1.00 10.20 C ATOM 969 OD1 ASN A 65 11.270 17.561 -0.686 1.00 33.22 O ATOM 970 ND2 ASN A 65 9.210 17.071 -1.266 1.00 63.51 N ATOM 0 H ASN A 65 12.774 12.913 -0.271 1.00 44.44 H new ATOM 0 HA ASN A 65 12.492 15.261 -1.866 1.00 64.34 H new ATOM 0 HB2 ASN A 65 10.036 14.669 -1.378 1.00 70.44 H new ATOM 0 HB3 ASN A 65 10.383 14.948 0.317 1.00 70.44 H new ATOM 0 HD21 ASN A 65 8.982 18.056 -1.398 1.00 63.51 H new ATOM 0 HD22 ASN A 65 8.501 16.357 -1.430 1.00 63.51 H new ATOM 977 N SER A 66 13.934 16.230 -0.091 1.00 63.44 N ATOM 978 CA SER A 66 14.812 16.779 0.920 1.00 22.15 C ATOM 979 C SER A 66 14.238 18.086 1.511 1.00 22.44 C ATOM 980 O SER A 66 14.671 18.550 2.560 1.00 41.35 O ATOM 981 CB SER A 66 16.190 17.000 0.313 1.00 61.52 C ATOM 982 OG SER A 66 16.666 15.782 -0.250 1.00 71.35 O ATOM 0 H SER A 66 14.084 16.598 -1.030 1.00 63.44 H new ATOM 0 HA SER A 66 14.896 16.072 1.746 1.00 22.15 H new ATOM 0 HB2 SER A 66 16.140 17.772 -0.455 1.00 61.52 H new ATOM 0 HB3 SER A 66 16.882 17.354 1.077 1.00 61.52 H new ATOM 0 HG SER A 66 17.553 15.927 -0.642 1.00 71.35 H new ATOM 988 N THR A 67 13.257 18.637 0.846 1.00 13.22 N ATOM 989 CA THR A 67 12.615 19.863 1.263 1.00 52.24 C ATOM 990 C THR A 67 11.440 19.567 2.206 1.00 70.44 C ATOM 991 O THR A 67 11.407 19.997 3.353 1.00 14.33 O ATOM 992 CB THR A 67 12.087 20.616 0.002 1.00 54.43 C ATOM 993 OG1 THR A 67 13.181 21.034 -0.828 1.00 44.11 O ATOM 994 CG2 THR A 67 11.184 21.807 0.354 1.00 71.11 C ATOM 0 H THR A 67 12.873 18.244 -0.013 1.00 13.22 H new ATOM 0 HA THR A 67 13.341 20.478 1.794 1.00 52.24 H new ATOM 0 HB THR A 67 11.468 19.910 -0.552 1.00 54.43 H new ATOM 0 HG1 THR A 67 12.834 21.503 -1.615 1.00 44.11 H new ATOM 0 HG21 THR A 67 10.847 22.292 -0.562 1.00 71.11 H new ATOM 0 HG22 THR A 67 10.320 21.454 0.917 1.00 71.11 H new ATOM 0 HG23 THR A 67 11.743 22.522 0.958 1.00 71.11 H new ATOM 1002 N ASN A 68 10.538 18.773 1.728 1.00 1.51 N ATOM 1003 CA ASN A 68 9.264 18.534 2.378 1.00 1.52 C ATOM 1004 C ASN A 68 9.137 17.056 2.714 1.00 63.33 C ATOM 1005 O ASN A 68 8.044 16.502 2.739 1.00 42.01 O ATOM 1006 CB ASN A 68 8.157 19.032 1.432 1.00 14.03 C ATOM 1007 CG ASN A 68 6.752 19.052 2.017 1.00 25.31 C ATOM 1008 OD1 ASN A 68 6.549 19.160 3.241 1.00 75.33 O ATOM 1009 ND2 ASN A 68 5.791 19.036 1.138 1.00 1.32 N ATOM 0 H ASN A 68 10.656 18.255 0.857 1.00 1.51 H new ATOM 0 HA ASN A 68 9.179 19.075 3.320 1.00 1.52 H new ATOM 0 HB2 ASN A 68 8.410 20.041 1.105 1.00 14.03 H new ATOM 0 HB3 ASN A 68 8.152 18.401 0.543 1.00 14.03 H new ATOM 0 HD21 ASN A 68 4.820 19.114 1.442 1.00 1.32 H new ATOM 0 HD22 ASN A 68 6.009 18.945 0.146 1.00 1.32 H new ATOM 1016 N GLY A 69 10.311 16.440 2.951 1.00 64.23 N ATOM 1017 CA GLY A 69 10.429 15.018 3.274 1.00 73.24 C ATOM 1018 C GLY A 69 9.400 14.540 4.266 1.00 14.23 C ATOM 1019 O GLY A 69 9.190 15.160 5.332 1.00 24.24 O ATOM 0 H GLY A 69 11.208 16.926 2.922 1.00 64.23 H new ATOM 0 HA2 GLY A 69 10.336 14.436 2.357 1.00 73.24 H new ATOM 0 HA3 GLY A 69 11.425 14.826 3.674 1.00 73.24 H new ATOM 1023 N THR A 70 8.792 13.469 3.906 1.00 2.34 N ATOM 1024 CA THR A 70 7.673 12.884 4.571 1.00 13.50 C ATOM 1025 C THR A 70 8.019 12.333 5.975 1.00 33.01 C ATOM 1026 O THR A 70 9.119 11.806 6.231 1.00 2.12 O ATOM 1027 CB THR A 70 7.127 11.762 3.673 1.00 52.53 C ATOM 1028 OG1 THR A 70 7.007 12.269 2.327 1.00 24.23 O ATOM 1029 CG2 THR A 70 5.767 11.288 4.140 1.00 32.01 C ATOM 0 H THR A 70 9.078 12.938 3.084 1.00 2.34 H new ATOM 0 HA THR A 70 6.925 13.659 4.735 1.00 13.50 H new ATOM 0 HB THR A 70 7.815 10.918 3.717 1.00 52.53 H new ATOM 0 HG1 THR A 70 7.822 12.059 1.824 1.00 24.23 H new ATOM 0 HG21 THR A 70 5.412 10.495 3.482 1.00 32.01 H new ATOM 0 HG22 THR A 70 5.844 10.907 5.158 1.00 32.01 H new ATOM 0 HG23 THR A 70 5.064 12.120 4.117 1.00 32.01 H new ATOM 1037 N THR A 71 7.079 12.487 6.865 1.00 3.13 N ATOM 1038 CA THR A 71 7.179 12.006 8.199 1.00 52.34 C ATOM 1039 C THR A 71 6.262 10.812 8.398 1.00 75.40 C ATOM 1040 O THR A 71 5.170 10.763 7.842 1.00 3.51 O ATOM 1041 CB THR A 71 6.820 13.114 9.210 1.00 1.41 C ATOM 1042 OG1 THR A 71 5.693 13.877 8.742 1.00 54.13 O ATOM 1043 CG2 THR A 71 7.986 14.027 9.447 1.00 51.14 C ATOM 0 H THR A 71 6.200 12.966 6.669 1.00 3.13 H new ATOM 0 HA THR A 71 8.210 11.698 8.372 1.00 52.34 H new ATOM 0 HB THR A 71 6.560 12.632 10.152 1.00 1.41 H new ATOM 0 HG1 THR A 71 5.989 14.776 8.490 1.00 54.13 H new ATOM 0 HG21 THR A 71 7.704 14.798 10.164 1.00 51.14 H new ATOM 0 HG22 THR A 71 8.823 13.452 9.843 1.00 51.14 H new ATOM 0 HG23 THR A 71 8.279 14.495 8.507 1.00 51.14 H new ATOM 1051 N VAL A 72 6.723 9.855 9.144 1.00 3.12 N ATOM 1052 CA VAL A 72 5.943 8.693 9.496 1.00 32.04 C ATOM 1053 C VAL A 72 5.858 8.663 11.008 1.00 24.11 C ATOM 1054 O VAL A 72 6.878 8.729 11.694 1.00 30.53 O ATOM 1055 CB VAL A 72 6.566 7.378 8.942 1.00 70.20 C ATOM 1056 CG1 VAL A 72 6.527 7.382 7.425 1.00 30.45 C ATOM 1057 CG2 VAL A 72 7.997 7.238 9.405 1.00 10.52 C ATOM 0 H VAL A 72 7.665 9.853 9.535 1.00 3.12 H new ATOM 0 HA VAL A 72 4.951 8.759 9.049 1.00 32.04 H new ATOM 0 HB VAL A 72 5.984 6.536 9.318 1.00 70.20 H new ATOM 0 HG11 VAL A 72 6.965 6.458 7.047 1.00 30.45 H new ATOM 0 HG12 VAL A 72 5.493 7.458 7.088 1.00 30.45 H new ATOM 0 HG13 VAL A 72 7.095 8.233 7.049 1.00 30.45 H new ATOM 0 HG21 VAL A 72 8.419 6.314 9.010 1.00 10.52 H new ATOM 0 HG22 VAL A 72 8.580 8.086 9.046 1.00 10.52 H new ATOM 0 HG23 VAL A 72 8.026 7.213 10.494 1.00 10.52 H new ATOM 1067 N ASN A 73 4.647 8.707 11.524 1.00 12.32 N ATOM 1068 CA ASN A 73 4.398 8.786 12.972 1.00 32.53 C ATOM 1069 C ASN A 73 5.007 10.084 13.531 1.00 51.12 C ATOM 1070 O ASN A 73 5.340 10.181 14.713 1.00 34.33 O ATOM 1071 CB ASN A 73 4.945 7.538 13.704 1.00 32.33 C ATOM 1072 CG ASN A 73 3.856 6.571 14.149 1.00 13.14 C ATOM 1073 OD1 ASN A 73 3.367 6.647 15.281 1.00 44.13 O ATOM 1074 ND2 ASN A 73 3.446 5.670 13.285 1.00 60.34 N ATOM 0 H ASN A 73 3.797 8.690 10.960 1.00 12.32 H new ATOM 0 HA ASN A 73 3.322 8.806 13.145 1.00 32.53 H new ATOM 0 HB2 ASN A 73 5.638 7.015 13.045 1.00 32.33 H new ATOM 0 HB3 ASN A 73 5.515 7.858 14.576 1.00 32.33 H new ATOM 0 HD21 ASN A 73 2.709 5.014 13.543 1.00 60.34 H new ATOM 0 HD22 ASN A 73 3.865 5.627 12.356 1.00 60.34 H new ATOM 1081 N ASN A 74 5.118 11.085 12.619 1.00 2.42 N ATOM 1082 CA ASN A 74 5.685 12.441 12.858 1.00 41.34 C ATOM 1083 C ASN A 74 7.234 12.411 12.869 1.00 53.53 C ATOM 1084 O ASN A 74 7.898 13.430 13.068 1.00 11.12 O ATOM 1085 CB ASN A 74 5.121 13.114 14.137 1.00 75.32 C ATOM 1086 CG ASN A 74 5.493 14.596 14.263 1.00 4.23 C ATOM 1087 OD1 ASN A 74 5.592 15.330 13.272 1.00 54.20 O ATOM 1088 ND2 ASN A 74 5.729 15.034 15.459 1.00 73.25 N ATOM 0 H ASN A 74 4.802 10.965 11.657 1.00 2.42 H new ATOM 0 HA ASN A 74 5.366 13.061 12.020 1.00 41.34 H new ATOM 0 HB2 ASN A 74 4.035 13.019 14.139 1.00 75.32 H new ATOM 0 HB3 ASN A 74 5.490 12.579 15.012 1.00 75.32 H new ATOM 0 HD21 ASN A 74 6.004 16.006 15.601 1.00 73.25 H new ATOM 0 HD22 ASN A 74 5.640 14.407 16.259 1.00 73.25 H new ATOM 1095 N ALA A 75 7.800 11.256 12.611 1.00 11.44 N ATOM 1096 CA ALA A 75 9.236 11.121 12.561 1.00 63.24 C ATOM 1097 C ALA A 75 9.704 11.212 11.107 1.00 32.13 C ATOM 1098 O ALA A 75 9.200 10.480 10.247 1.00 74.43 O ATOM 1099 CB ALA A 75 9.671 9.800 13.185 1.00 24.03 C ATOM 0 H ALA A 75 7.286 10.393 12.432 1.00 11.44 H new ATOM 0 HA ALA A 75 9.693 11.928 13.134 1.00 63.24 H new ATOM 0 HB1 ALA A 75 10.757 9.716 13.138 1.00 24.03 H new ATOM 0 HB2 ALA A 75 9.349 9.766 14.226 1.00 24.03 H new ATOM 0 HB3 ALA A 75 9.219 8.973 12.638 1.00 24.03 H new ATOM 1105 N PRO A 76 10.618 12.142 10.798 1.00 20.25 N ATOM 1106 CA PRO A 76 11.147 12.297 9.442 1.00 24.43 C ATOM 1107 C PRO A 76 12.064 11.136 9.073 1.00 13.22 C ATOM 1108 O PRO A 76 13.008 10.812 9.803 1.00 61.54 O ATOM 1109 CB PRO A 76 11.931 13.616 9.503 1.00 31.40 C ATOM 1110 CG PRO A 76 12.299 13.783 10.941 1.00 54.41 C ATOM 1111 CD PRO A 76 11.207 13.120 11.741 1.00 4.41 C ATOM 0 HA PRO A 76 10.363 12.306 8.685 1.00 24.43 H new ATOM 0 HB2 PRO A 76 12.818 13.577 8.871 1.00 31.40 H new ATOM 0 HB3 PRO A 76 11.325 14.451 9.151 1.00 31.40 H new ATOM 0 HG2 PRO A 76 13.266 13.325 11.150 1.00 54.41 H new ATOM 0 HG3 PRO A 76 12.384 14.838 11.200 1.00 54.41 H new ATOM 0 HD2 PRO A 76 11.604 12.629 12.629 1.00 4.41 H new ATOM 0 HD3 PRO A 76 10.466 13.843 12.081 1.00 4.41 H new ATOM 1119 N VAL A 77 11.778 10.495 7.969 1.00 33.30 N ATOM 1120 CA VAL A 77 12.554 9.350 7.528 1.00 51.14 C ATOM 1121 C VAL A 77 12.812 9.437 6.044 1.00 30.35 C ATOM 1122 O VAL A 77 12.194 10.243 5.350 1.00 35.42 O ATOM 1123 CB VAL A 77 11.828 7.997 7.810 1.00 2.15 C ATOM 1124 CG1 VAL A 77 11.633 7.755 9.303 1.00 55.42 C ATOM 1125 CG2 VAL A 77 10.493 7.938 7.068 1.00 62.13 C ATOM 0 H VAL A 77 11.007 10.745 7.349 1.00 33.30 H new ATOM 0 HA VAL A 77 13.487 9.373 8.090 1.00 51.14 H new ATOM 0 HB VAL A 77 12.468 7.198 7.436 1.00 2.15 H new ATOM 0 HG11 VAL A 77 11.124 6.803 9.454 1.00 55.42 H new ATOM 0 HG12 VAL A 77 12.604 7.730 9.797 1.00 55.42 H new ATOM 0 HG13 VAL A 77 11.031 8.559 9.726 1.00 55.42 H new ATOM 0 HG21 VAL A 77 10.002 6.988 7.277 1.00 62.13 H new ATOM 0 HG22 VAL A 77 9.855 8.757 7.401 1.00 62.13 H new ATOM 0 HG23 VAL A 77 10.668 8.028 5.996 1.00 62.13 H new ATOM 1135 N GLN A 78 13.720 8.623 5.570 1.00 43.11 N ATOM 1136 CA GLN A 78 13.977 8.516 4.152 1.00 33.53 C ATOM 1137 C GLN A 78 13.278 7.260 3.603 1.00 13.14 C ATOM 1138 O GLN A 78 12.906 7.196 2.431 1.00 42.43 O ATOM 1139 CB GLN A 78 15.490 8.497 3.862 1.00 4.32 C ATOM 1140 CG GLN A 78 16.254 7.416 4.609 1.00 41.05 C ATOM 1141 CD GLN A 78 17.726 7.356 4.263 1.00 62.22 C ATOM 1142 OE1 GLN A 78 18.142 7.675 3.151 1.00 31.21 O ATOM 1143 NE2 GLN A 78 18.521 6.934 5.200 1.00 32.20 N ATOM 0 H GLN A 78 14.301 8.018 6.150 1.00 43.11 H new ATOM 0 HA GLN A 78 13.571 9.392 3.646 1.00 33.53 H new ATOM 0 HB2 GLN A 78 15.642 8.360 2.791 1.00 4.32 H new ATOM 0 HB3 GLN A 78 15.911 9.469 4.121 1.00 4.32 H new ATOM 0 HG2 GLN A 78 16.149 7.585 5.681 1.00 41.05 H new ATOM 0 HG3 GLN A 78 15.800 6.449 4.393 1.00 41.05 H new ATOM 0 HE21 GLN A 78 18.143 6.677 6.112 1.00 32.20 H new ATOM 0 HE22 GLN A 78 19.523 6.859 5.024 1.00 32.20 H new ATOM 1152 N GLU A 79 13.087 6.274 4.478 1.00 22.43 N ATOM 1153 CA GLU A 79 12.414 5.029 4.138 1.00 44.23 C ATOM 1154 C GLU A 79 11.888 4.363 5.405 1.00 63.22 C ATOM 1155 O GLU A 79 12.471 4.536 6.490 1.00 12.22 O ATOM 1156 CB GLU A 79 13.321 4.100 3.313 1.00 11.11 C ATOM 1157 CG GLU A 79 14.661 3.786 3.946 1.00 70.10 C ATOM 1158 CD GLU A 79 15.561 3.048 3.004 1.00 34.55 C ATOM 1159 OE1 GLU A 79 16.034 3.653 2.016 1.00 72.14 O ATOM 1160 OE2 GLU A 79 15.833 1.854 3.230 1.00 23.23 O ATOM 0 H GLU A 79 13.398 6.320 5.448 1.00 22.43 H new ATOM 0 HA GLU A 79 11.559 5.253 3.500 1.00 44.23 H new ATOM 0 HB2 GLU A 79 12.792 3.164 3.136 1.00 11.11 H new ATOM 0 HB3 GLU A 79 13.494 4.558 2.339 1.00 11.11 H new ATOM 0 HG2 GLU A 79 15.142 4.713 4.257 1.00 70.10 H new ATOM 0 HG3 GLU A 79 14.508 3.189 4.845 1.00 70.10 H new ATOM 1167 N TRP A 80 10.794 3.652 5.273 1.00 63.55 N ATOM 1168 CA TRP A 80 10.065 3.075 6.388 1.00 33.23 C ATOM 1169 C TRP A 80 9.121 2.016 5.844 1.00 40.41 C ATOM 1170 O TRP A 80 8.754 2.062 4.680 1.00 4.41 O ATOM 1171 CB TRP A 80 9.282 4.229 7.056 1.00 72.55 C ATOM 1172 CG TRP A 80 8.366 3.913 8.187 1.00 61.41 C ATOM 1173 CD1 TRP A 80 7.037 3.618 8.102 1.00 60.22 C ATOM 1174 CD2 TRP A 80 8.681 3.956 9.576 1.00 3.23 C ATOM 1175 NE1 TRP A 80 6.516 3.461 9.350 1.00 53.21 N ATOM 1176 CE2 TRP A 80 7.500 3.665 10.275 1.00 32.33 C ATOM 1177 CE3 TRP A 80 9.850 4.208 10.300 1.00 31.32 C ATOM 1178 CZ2 TRP A 80 7.447 3.627 11.657 1.00 21.42 C ATOM 1179 CZ3 TRP A 80 9.794 4.169 11.676 1.00 2.02 C ATOM 1180 CH2 TRP A 80 8.598 3.881 12.339 1.00 71.13 C ATOM 0 H TRP A 80 10.372 3.451 4.367 1.00 63.55 H new ATOM 0 HA TRP A 80 10.723 2.605 7.118 1.00 33.23 H new ATOM 0 HB2 TRP A 80 10.009 4.958 7.414 1.00 72.55 H new ATOM 0 HB3 TRP A 80 8.693 4.720 6.281 1.00 72.55 H new ATOM 0 HD1 TRP A 80 6.481 3.523 7.181 1.00 60.22 H new ATOM 0 HE1 TRP A 80 5.546 3.228 9.561 1.00 53.21 H new ATOM 0 HE3 TRP A 80 10.777 4.428 9.792 1.00 31.32 H new ATOM 0 HZ2 TRP A 80 6.526 3.404 12.176 1.00 21.42 H new ATOM 0 HZ3 TRP A 80 10.687 4.364 12.251 1.00 2.02 H new ATOM 0 HH2 TRP A 80 8.586 3.859 13.419 1.00 71.13 H new ATOM 1191 N GLN A 81 8.785 1.039 6.629 1.00 2.32 N ATOM 1192 CA GLN A 81 7.804 0.085 6.186 1.00 34.13 C ATOM 1193 C GLN A 81 6.490 0.347 6.914 1.00 73.24 C ATOM 1194 O GLN A 81 6.440 0.408 8.145 1.00 3.23 O ATOM 1195 CB GLN A 81 8.318 -1.388 6.231 1.00 71.13 C ATOM 1196 CG GLN A 81 8.663 -1.961 7.599 1.00 43.55 C ATOM 1197 CD GLN A 81 7.454 -2.471 8.357 1.00 73.13 C ATOM 1198 OE1 GLN A 81 6.485 -2.934 7.761 1.00 73.55 O ATOM 1199 NE2 GLN A 81 7.496 -2.399 9.654 1.00 21.42 N ATOM 0 H GLN A 81 9.164 0.879 7.562 1.00 2.32 H new ATOM 0 HA GLN A 81 7.609 0.227 5.123 1.00 34.13 H new ATOM 0 HB2 GLN A 81 7.558 -2.025 5.779 1.00 71.13 H new ATOM 0 HB3 GLN A 81 9.206 -1.456 5.602 1.00 71.13 H new ATOM 0 HG2 GLN A 81 9.376 -2.776 7.475 1.00 43.55 H new ATOM 0 HG3 GLN A 81 9.158 -1.193 8.193 1.00 43.55 H new ATOM 0 HE21 GLN A 81 8.317 -2.009 10.117 1.00 21.42 H new ATOM 0 HE22 GLN A 81 6.708 -2.733 10.209 1.00 21.42 H new ATOM 1208 N LEU A 82 5.467 0.607 6.141 1.00 55.04 N ATOM 1209 CA LEU A 82 4.145 0.993 6.645 1.00 41.14 C ATOM 1210 C LEU A 82 3.461 -0.112 7.432 1.00 45.30 C ATOM 1211 O LEU A 82 3.664 -1.299 7.171 1.00 70.25 O ATOM 1212 CB LEU A 82 3.234 1.342 5.484 1.00 42.55 C ATOM 1213 CG LEU A 82 3.713 2.434 4.552 1.00 32.34 C ATOM 1214 CD1 LEU A 82 2.749 2.608 3.393 1.00 62.31 C ATOM 1215 CD2 LEU A 82 3.854 3.720 5.314 1.00 2.14 C ATOM 0 H LEU A 82 5.515 0.560 5.123 1.00 55.04 H new ATOM 0 HA LEU A 82 4.312 1.843 7.306 1.00 41.14 H new ATOM 0 HB2 LEU A 82 3.071 0.439 4.896 1.00 42.55 H new ATOM 0 HB3 LEU A 82 2.266 1.639 5.888 1.00 42.55 H new ATOM 0 HG LEU A 82 4.684 2.151 4.145 1.00 32.34 H new ATOM 0 HD11 LEU A 82 3.111 3.397 2.734 1.00 62.31 H new ATOM 0 HD12 LEU A 82 2.678 1.674 2.835 1.00 62.31 H new ATOM 0 HD13 LEU A 82 1.765 2.878 3.776 1.00 62.31 H new ATOM 0 HD21 LEU A 82 4.199 4.505 4.642 1.00 2.14 H new ATOM 0 HD22 LEU A 82 2.889 4.001 5.735 1.00 2.14 H new ATOM 0 HD23 LEU A 82 4.577 3.588 6.119 1.00 2.14 H new ATOM 1227 N ALA A 83 2.637 0.298 8.357 1.00 34.14 N ATOM 1228 CA ALA A 83 1.795 -0.583 9.126 1.00 62.04 C ATOM 1229 C ALA A 83 0.428 0.076 9.224 1.00 54.21 C ATOM 1230 O ALA A 83 0.296 1.271 8.899 1.00 40.31 O ATOM 1231 CB ALA A 83 2.379 -0.814 10.511 1.00 64.30 C ATOM 0 H ALA A 83 2.528 1.281 8.605 1.00 34.14 H new ATOM 0 HA ALA A 83 1.719 -1.558 8.644 1.00 62.04 H new ATOM 0 HB1 ALA A 83 1.727 -1.482 11.074 1.00 64.30 H new ATOM 0 HB2 ALA A 83 3.367 -1.264 10.419 1.00 64.30 H new ATOM 0 HB3 ALA A 83 2.462 0.138 11.034 1.00 64.30 H new ATOM 1237 N ASP A 84 -0.579 -0.667 9.631 1.00 43.33 N ATOM 1238 CA ASP A 84 -1.922 -0.111 9.788 1.00 35.21 C ATOM 1239 C ASP A 84 -1.949 0.850 10.950 1.00 0.20 C ATOM 1240 O ASP A 84 -1.617 0.486 12.083 1.00 60.33 O ATOM 1241 CB ASP A 84 -2.974 -1.207 9.999 1.00 52.52 C ATOM 1242 CG ASP A 84 -4.375 -0.645 10.222 1.00 44.44 C ATOM 1243 OD1 ASP A 84 -5.087 -0.378 9.246 1.00 13.45 O ATOM 1244 OD2 ASP A 84 -4.793 -0.485 11.390 1.00 15.43 O ATOM 0 H ASP A 84 -0.502 -1.658 9.861 1.00 43.33 H new ATOM 0 HA ASP A 84 -2.169 0.416 8.866 1.00 35.21 H new ATOM 0 HB2 ASP A 84 -2.985 -1.866 9.131 1.00 52.52 H new ATOM 0 HB3 ASP A 84 -2.691 -1.816 10.857 1.00 52.52 H new ATOM 1249 N GLY A 85 -2.309 2.064 10.668 1.00 74.11 N ATOM 1250 CA GLY A 85 -2.365 3.068 11.678 1.00 34.11 C ATOM 1251 C GLY A 85 -1.143 3.940 11.662 1.00 30.42 C ATOM 1252 O GLY A 85 -0.942 4.746 12.571 1.00 40.03 O ATOM 0 H GLY A 85 -2.571 2.383 9.735 1.00 74.11 H new ATOM 0 HA2 GLY A 85 -3.253 3.683 11.531 1.00 34.11 H new ATOM 0 HA3 GLY A 85 -2.462 2.596 12.656 1.00 34.11 H new ATOM 1256 N ASP A 86 -0.296 3.780 10.649 1.00 63.53 N ATOM 1257 CA ASP A 86 0.898 4.606 10.564 1.00 72.41 C ATOM 1258 C ASP A 86 0.489 5.939 9.994 1.00 21.32 C ATOM 1259 O ASP A 86 -0.282 6.000 9.010 1.00 60.42 O ATOM 1260 CB ASP A 86 1.989 3.986 9.683 1.00 51.14 C ATOM 1261 CG ASP A 86 3.361 4.137 10.288 1.00 42.22 C ATOM 1262 OD1 ASP A 86 3.744 5.263 10.657 1.00 60.32 O ATOM 1263 OD2 ASP A 86 4.060 3.095 10.454 1.00 2.20 O ATOM 0 H ASP A 86 -0.411 3.103 9.895 1.00 63.53 H new ATOM 0 HA ASP A 86 1.323 4.704 11.563 1.00 72.41 H new ATOM 0 HB2 ASP A 86 1.774 2.928 9.532 1.00 51.14 H new ATOM 0 HB3 ASP A 86 1.973 4.458 8.701 1.00 51.14 H new ATOM 1268 N VAL A 87 0.955 6.986 10.596 1.00 21.11 N ATOM 1269 CA VAL A 87 0.574 8.310 10.178 1.00 55.32 C ATOM 1270 C VAL A 87 1.656 8.887 9.297 1.00 63.24 C ATOM 1271 O VAL A 87 2.751 9.166 9.750 1.00 60.52 O ATOM 1272 CB VAL A 87 0.335 9.254 11.392 1.00 22.21 C ATOM 1273 CG1 VAL A 87 -0.121 10.633 10.929 1.00 43.12 C ATOM 1274 CG2 VAL A 87 -0.687 8.654 12.350 1.00 65.21 C ATOM 0 H VAL A 87 1.603 6.956 11.383 1.00 21.11 H new ATOM 0 HA VAL A 87 -0.363 8.232 9.627 1.00 55.32 H new ATOM 0 HB VAL A 87 1.282 9.365 11.920 1.00 22.21 H new ATOM 0 HG11 VAL A 87 -0.281 11.273 11.796 1.00 43.12 H new ATOM 0 HG12 VAL A 87 0.644 11.073 10.289 1.00 43.12 H new ATOM 0 HG13 VAL A 87 -1.052 10.540 10.370 1.00 43.12 H new ATOM 0 HG21 VAL A 87 -0.838 9.331 13.191 1.00 65.21 H new ATOM 0 HG22 VAL A 87 -1.632 8.507 11.828 1.00 65.21 H new ATOM 0 HG23 VAL A 87 -0.322 7.695 12.717 1.00 65.21 H new ATOM 1284 N ILE A 88 1.341 9.069 8.067 1.00 61.23 N ATOM 1285 CA ILE A 88 2.253 9.607 7.102 1.00 10.12 C ATOM 1286 C ILE A 88 1.889 11.071 6.916 1.00 73.54 C ATOM 1287 O ILE A 88 0.718 11.403 6.754 1.00 50.45 O ATOM 1288 CB ILE A 88 2.182 8.802 5.738 1.00 31.21 C ATOM 1289 CG1 ILE A 88 2.969 7.463 5.807 1.00 34.12 C ATOM 1290 CG2 ILE A 88 2.682 9.622 4.559 1.00 11.04 C ATOM 1291 CD1 ILE A 88 2.561 6.490 6.905 1.00 4.33 C ATOM 0 H ILE A 88 0.422 8.845 7.685 1.00 61.23 H new ATOM 0 HA ILE A 88 3.283 9.518 7.448 1.00 10.12 H new ATOM 0 HB ILE A 88 1.126 8.579 5.583 1.00 31.21 H new ATOM 0 HG12 ILE A 88 2.866 6.957 4.847 1.00 34.12 H new ATOM 0 HG13 ILE A 88 4.027 7.695 5.933 1.00 34.12 H new ATOM 0 HG21 ILE A 88 2.614 9.028 3.648 1.00 11.04 H new ATOM 0 HG22 ILE A 88 2.071 10.519 4.454 1.00 11.04 H new ATOM 0 HG23 ILE A 88 3.720 9.908 4.729 1.00 11.04 H new ATOM 0 HD11 ILE A 88 3.182 5.596 6.848 1.00 4.33 H new ATOM 0 HD12 ILE A 88 2.694 6.963 7.878 1.00 4.33 H new ATOM 0 HD13 ILE A 88 1.515 6.213 6.776 1.00 4.33 H new ATOM 1303 N ARG A 89 2.841 11.945 7.010 1.00 5.15 N ATOM 1304 CA ARG A 89 2.539 13.335 6.915 1.00 74.31 C ATOM 1305 C ARG A 89 3.573 14.059 6.073 1.00 53.31 C ATOM 1306 O ARG A 89 4.731 13.667 6.016 1.00 22.11 O ATOM 1307 CB ARG A 89 2.507 13.950 8.319 1.00 44.05 C ATOM 1308 CG ARG A 89 1.961 15.365 8.365 1.00 11.11 C ATOM 1309 CD ARG A 89 2.284 16.041 9.671 1.00 2.13 C ATOM 1310 NE ARG A 89 3.729 16.301 9.796 1.00 25.12 N ATOM 1311 CZ ARG A 89 4.264 17.186 10.640 1.00 21.11 C ATOM 1312 NH1 ARG A 89 3.503 17.779 11.556 1.00 41.51 N ATOM 1313 NH2 ARG A 89 5.565 17.474 10.578 1.00 34.52 N ATOM 0 H ARG A 89 3.826 11.722 7.151 1.00 5.15 H new ATOM 0 HA ARG A 89 1.565 13.443 6.438 1.00 74.31 H new ATOM 0 HB2 ARG A 89 1.901 13.317 8.967 1.00 44.05 H new ATOM 0 HB3 ARG A 89 3.518 13.949 8.727 1.00 44.05 H new ATOM 0 HG2 ARG A 89 2.379 15.944 7.542 1.00 11.11 H new ATOM 0 HG3 ARG A 89 0.880 15.344 8.223 1.00 11.11 H new ATOM 0 HD2 ARG A 89 1.736 16.980 9.742 1.00 2.13 H new ATOM 0 HD3 ARG A 89 1.952 15.415 10.499 1.00 2.13 H new ATOM 0 HE ARG A 89 4.362 15.770 9.198 1.00 25.12 H new ATOM 0 HH11 ARG A 89 2.509 17.558 11.614 1.00 41.51 H new ATOM 0 HH12 ARG A 89 3.914 18.455 12.200 1.00 41.51 H new ATOM 0 HH21 ARG A 89 6.156 17.017 9.883 1.00 34.52 H new ATOM 0 HH22 ARG A 89 5.969 18.151 11.225 1.00 34.52 H new ATOM 1327 N LEU A 90 3.122 15.079 5.426 1.00 73.10 N ATOM 1328 CA LEU A 90 3.920 16.015 4.685 1.00 54.32 C ATOM 1329 C LEU A 90 3.334 17.363 5.009 1.00 5.11 C ATOM 1330 O LEU A 90 2.261 17.391 5.614 1.00 75.53 O ATOM 1331 CB LEU A 90 3.955 15.769 3.161 1.00 72.33 C ATOM 1332 CG LEU A 90 2.646 15.901 2.383 1.00 23.44 C ATOM 1333 CD1 LEU A 90 2.958 16.105 0.922 1.00 30.10 C ATOM 1334 CD2 LEU A 90 1.779 14.654 2.543 1.00 54.13 C ATOM 0 H LEU A 90 2.127 15.301 5.394 1.00 73.10 H new ATOM 0 HA LEU A 90 4.966 15.919 4.975 1.00 54.32 H new ATOM 0 HB2 LEU A 90 4.673 16.465 2.727 1.00 72.33 H new ATOM 0 HB3 LEU A 90 4.343 14.764 2.994 1.00 72.33 H new ATOM 0 HG LEU A 90 2.095 16.754 2.778 1.00 23.44 H new ATOM 0 HD11 LEU A 90 2.028 16.200 0.361 1.00 30.10 H new ATOM 0 HD12 LEU A 90 3.550 17.012 0.800 1.00 30.10 H new ATOM 0 HD13 LEU A 90 3.522 15.251 0.548 1.00 30.10 H new ATOM 0 HD21 LEU A 90 0.855 14.778 1.978 1.00 54.13 H new ATOM 0 HD22 LEU A 90 2.319 13.785 2.168 1.00 54.13 H new ATOM 0 HD23 LEU A 90 1.543 14.508 3.597 1.00 54.13 H new ATOM 1346 N GLY A 91 4.041 18.441 4.701 1.00 2.02 N ATOM 1347 CA GLY A 91 3.623 19.816 5.069 1.00 31.42 C ATOM 1348 C GLY A 91 2.105 20.088 5.052 1.00 5.03 C ATOM 1349 O GLY A 91 1.485 20.220 3.988 1.00 31.01 O ATOM 0 H GLY A 91 4.923 18.403 4.189 1.00 2.02 H new ATOM 0 HA2 GLY A 91 4.000 20.034 6.068 1.00 31.42 H new ATOM 0 HA3 GLY A 91 4.105 20.516 4.387 1.00 31.42 H new ATOM 1353 N HIS A 92 1.511 20.109 6.261 1.00 62.15 N ATOM 1354 CA HIS A 92 0.071 20.383 6.482 1.00 52.11 C ATOM 1355 C HIS A 92 -0.865 19.375 5.803 1.00 31.31 C ATOM 1356 O HIS A 92 -2.059 19.637 5.647 1.00 2.32 O ATOM 1357 CB HIS A 92 -0.303 21.819 6.075 1.00 23.40 C ATOM 1358 CG HIS A 92 0.092 22.879 7.060 1.00 40.32 C ATOM 1359 ND1 HIS A 92 -0.753 23.886 7.470 1.00 64.11 N ATOM 1360 CD2 HIS A 92 1.259 23.092 7.706 1.00 50.20 C ATOM 1361 CE1 HIS A 92 -0.102 24.658 8.328 1.00 61.40 C ATOM 1362 NE2 HIS A 92 1.133 24.223 8.513 1.00 2.53 N ATOM 0 H HIS A 92 2.022 19.934 7.126 1.00 62.15 H new ATOM 0 HA HIS A 92 -0.077 20.268 7.556 1.00 52.11 H new ATOM 0 HB2 HIS A 92 0.165 22.043 5.116 1.00 23.40 H new ATOM 0 HB3 HIS A 92 -1.381 21.869 5.923 1.00 23.40 H new ATOM 0 HD2 HIS A 92 2.147 22.484 7.613 1.00 50.20 H new ATOM 0 HE1 HIS A 92 -0.524 25.527 8.812 1.00 61.40 H new ATOM 0 HE2 HIS A 92 1.845 24.630 9.119 1.00 2.53 H new ATOM 1370 N SER A 93 -0.349 18.234 5.436 1.00 40.21 N ATOM 1371 CA SER A 93 -1.144 17.220 4.804 1.00 65.12 C ATOM 1372 C SER A 93 -0.881 15.879 5.501 1.00 63.20 C ATOM 1373 O SER A 93 0.242 15.360 5.464 1.00 55.15 O ATOM 1374 CB SER A 93 -0.779 17.139 3.325 1.00 41.13 C ATOM 1375 OG SER A 93 -0.736 18.444 2.737 1.00 72.41 O ATOM 0 H SER A 93 0.631 17.983 5.566 1.00 40.21 H new ATOM 0 HA SER A 93 -2.204 17.462 4.886 1.00 65.12 H new ATOM 0 HB2 SER A 93 0.190 16.653 3.212 1.00 41.13 H new ATOM 0 HB3 SER A 93 -1.509 16.523 2.799 1.00 41.13 H new ATOM 0 HG SER A 93 0.051 18.926 3.067 1.00 72.41 H new ATOM 1381 N GLU A 94 -1.877 15.344 6.158 1.00 71.13 N ATOM 1382 CA GLU A 94 -1.707 14.110 6.884 1.00 61.12 C ATOM 1383 C GLU A 94 -2.565 12.989 6.313 1.00 64.43 C ATOM 1384 O GLU A 94 -3.720 13.200 5.892 1.00 20.02 O ATOM 1385 CB GLU A 94 -1.933 14.318 8.390 1.00 75.44 C ATOM 1386 CG GLU A 94 -3.295 14.871 8.765 1.00 32.40 C ATOM 1387 CD GLU A 94 -3.387 15.208 10.230 1.00 61.33 C ATOM 1388 OE1 GLU A 94 -3.678 14.310 11.055 1.00 35.31 O ATOM 1389 OE2 GLU A 94 -3.160 16.376 10.588 1.00 55.54 O ATOM 0 H GLU A 94 -2.815 15.742 6.206 1.00 71.13 H new ATOM 0 HA GLU A 94 -0.672 13.791 6.757 1.00 61.12 H new ATOM 0 HB2 GLU A 94 -1.793 13.364 8.898 1.00 75.44 H new ATOM 0 HB3 GLU A 94 -1.167 14.995 8.767 1.00 75.44 H new ATOM 0 HG2 GLU A 94 -3.498 15.765 8.175 1.00 32.40 H new ATOM 0 HG3 GLU A 94 -4.064 14.141 8.513 1.00 32.40 H new ATOM 1396 N ILE A 95 -1.981 11.825 6.268 1.00 21.55 N ATOM 1397 CA ILE A 95 -2.590 10.645 5.732 1.00 31.34 C ATOM 1398 C ILE A 95 -2.341 9.447 6.658 1.00 11.13 C ATOM 1399 O ILE A 95 -1.251 9.274 7.197 1.00 34.21 O ATOM 1400 CB ILE A 95 -2.132 10.410 4.217 1.00 74.33 C ATOM 1401 CG1 ILE A 95 -2.357 8.966 3.674 1.00 64.13 C ATOM 1402 CG2 ILE A 95 -0.708 10.879 3.958 1.00 70.20 C ATOM 1403 CD1 ILE A 95 -1.305 7.933 4.095 1.00 70.21 C ATOM 0 H ILE A 95 -1.035 11.668 6.616 1.00 21.55 H new ATOM 0 HA ILE A 95 -3.672 10.773 5.694 1.00 31.34 H new ATOM 0 HB ILE A 95 -2.810 11.042 3.643 1.00 74.33 H new ATOM 0 HG12 ILE A 95 -3.335 8.619 4.007 1.00 64.13 H new ATOM 0 HG13 ILE A 95 -2.387 9.006 2.585 1.00 64.13 H new ATOM 0 HG21 ILE A 95 -0.449 10.696 2.915 1.00 70.20 H new ATOM 0 HG22 ILE A 95 -0.632 11.946 4.169 1.00 70.20 H new ATOM 0 HG23 ILE A 95 -0.022 10.332 4.604 1.00 70.20 H new ATOM 0 HD11 ILE A 95 -1.555 6.963 3.665 1.00 70.21 H new ATOM 0 HD12 ILE A 95 -0.324 8.247 3.738 1.00 70.21 H new ATOM 0 HD13 ILE A 95 -1.287 7.854 5.182 1.00 70.21 H new ATOM 1415 N ILE A 96 -3.359 8.657 6.868 1.00 33.21 N ATOM 1416 CA ILE A 96 -3.270 7.490 7.719 1.00 14.41 C ATOM 1417 C ILE A 96 -3.321 6.240 6.847 1.00 12.41 C ATOM 1418 O ILE A 96 -4.225 6.090 6.023 1.00 62.14 O ATOM 1419 CB ILE A 96 -4.425 7.426 8.802 1.00 44.30 C ATOM 1420 CG1 ILE A 96 -4.370 8.605 9.813 1.00 43.05 C ATOM 1421 CG2 ILE A 96 -4.401 6.101 9.563 1.00 2.00 C ATOM 1422 CD1 ILE A 96 -4.784 9.966 9.272 1.00 51.41 C ATOM 0 H ILE A 96 -4.280 8.801 6.454 1.00 33.21 H new ATOM 0 HA ILE A 96 -2.328 7.551 8.264 1.00 14.41 H new ATOM 0 HB ILE A 96 -5.359 7.507 8.245 1.00 44.30 H new ATOM 0 HG12 ILE A 96 -5.012 8.362 10.660 1.00 43.05 H new ATOM 0 HG13 ILE A 96 -3.352 8.682 10.196 1.00 43.05 H new ATOM 0 HG21 ILE A 96 -5.206 6.089 10.298 1.00 2.00 H new ATOM 0 HG22 ILE A 96 -4.537 5.277 8.863 1.00 2.00 H new ATOM 0 HG23 ILE A 96 -3.443 5.991 10.072 1.00 2.00 H new ATOM 0 HD11 ILE A 96 -4.707 10.711 10.064 1.00 51.41 H new ATOM 0 HD12 ILE A 96 -4.129 10.244 8.447 1.00 51.41 H new ATOM 0 HD13 ILE A 96 -5.814 9.919 8.918 1.00 51.41 H new ATOM 1434 N VAL A 97 -2.348 5.382 6.995 1.00 33.45 N ATOM 1435 CA VAL A 97 -2.296 4.149 6.239 1.00 42.44 C ATOM 1436 C VAL A 97 -3.115 3.065 6.922 1.00 5.32 C ATOM 1437 O VAL A 97 -2.937 2.805 8.104 1.00 63.45 O ATOM 1438 CB VAL A 97 -0.828 3.672 6.045 1.00 42.54 C ATOM 1439 CG1 VAL A 97 -0.774 2.274 5.440 1.00 70.34 C ATOM 1440 CG2 VAL A 97 -0.098 4.638 5.143 1.00 32.11 C ATOM 0 H VAL A 97 -1.569 5.513 7.640 1.00 33.45 H new ATOM 0 HA VAL A 97 -2.725 4.343 5.256 1.00 42.44 H new ATOM 0 HB VAL A 97 -0.350 3.639 7.024 1.00 42.54 H new ATOM 0 HG11 VAL A 97 0.266 1.970 5.317 1.00 70.34 H new ATOM 0 HG12 VAL A 97 -1.282 1.572 6.101 1.00 70.34 H new ATOM 0 HG13 VAL A 97 -1.268 2.279 4.468 1.00 70.34 H new ATOM 0 HG21 VAL A 97 0.930 4.303 5.008 1.00 32.11 H new ATOM 0 HG22 VAL A 97 -0.597 4.679 4.175 1.00 32.11 H new ATOM 0 HG23 VAL A 97 -0.100 5.630 5.595 1.00 32.11 H new ATOM 1450 N ARG A 98 -4.023 2.470 6.192 1.00 31.01 N ATOM 1451 CA ARG A 98 -4.821 1.392 6.698 1.00 52.10 C ATOM 1452 C ARG A 98 -4.510 0.138 5.939 1.00 72.14 C ATOM 1453 O ARG A 98 -4.220 0.180 4.737 1.00 4.31 O ATOM 1454 CB ARG A 98 -6.314 1.694 6.590 1.00 13.22 C ATOM 1455 CG ARG A 98 -6.781 2.893 7.395 1.00 54.24 C ATOM 1456 CD ARG A 98 -6.505 2.734 8.888 1.00 30.30 C ATOM 1457 NE ARG A 98 -7.023 1.470 9.425 1.00 43.21 N ATOM 1458 CZ ARG A 98 -8.220 1.301 10.003 1.00 74.12 C ATOM 1459 NH1 ARG A 98 -9.106 2.300 10.037 1.00 1.54 N ATOM 1460 NH2 ARG A 98 -8.534 0.127 10.530 1.00 24.31 N ATOM 0 H ARG A 98 -4.228 2.724 5.226 1.00 31.01 H new ATOM 0 HA ARG A 98 -4.579 1.264 7.753 1.00 52.10 H new ATOM 0 HB2 ARG A 98 -6.562 1.859 5.542 1.00 13.22 H new ATOM 0 HB3 ARG A 98 -6.872 0.816 6.915 1.00 13.22 H new ATOM 0 HG2 ARG A 98 -6.281 3.790 7.029 1.00 54.24 H new ATOM 0 HG3 ARG A 98 -7.850 3.038 7.239 1.00 54.24 H new ATOM 0 HD2 ARG A 98 -5.430 2.786 9.063 1.00 30.30 H new ATOM 0 HD3 ARG A 98 -6.956 3.566 9.428 1.00 30.30 H new ATOM 0 HE ARG A 98 -6.420 0.650 9.352 1.00 43.21 H new ATOM 0 HH11 ARG A 98 -8.874 3.202 9.621 1.00 1.54 H new ATOM 0 HH12 ARG A 98 -10.015 2.161 10.479 1.00 1.54 H new ATOM 0 HH21 ARG A 98 -7.866 -0.643 10.495 1.00 24.31 H new ATOM 0 HH22 ARG A 98 -9.444 -0.007 10.971 1.00 24.31 H new ATOM 1474 N MET A 99 -4.549 -0.950 6.621 1.00 13.10 N ATOM 1475 CA MET A 99 -4.303 -2.240 6.030 1.00 72.14 C ATOM 1476 C MET A 99 -5.390 -3.181 6.415 1.00 64.03 C ATOM 1477 O MET A 99 -5.724 -3.314 7.590 1.00 71.33 O ATOM 1478 CB MET A 99 -2.954 -2.836 6.437 1.00 30.24 C ATOM 1479 CG MET A 99 -1.747 -2.060 5.974 1.00 74.13 C ATOM 1480 SD MET A 99 -0.214 -2.929 6.323 1.00 32.02 S ATOM 1481 CE MET A 99 0.955 -1.863 5.495 1.00 72.34 C ATOM 0 H MET A 99 -4.754 -0.983 7.620 1.00 13.10 H new ATOM 0 HA MET A 99 -4.281 -2.094 4.950 1.00 72.14 H new ATOM 0 HB2 MET A 99 -2.922 -2.914 7.524 1.00 30.24 H new ATOM 0 HB3 MET A 99 -2.888 -3.850 6.042 1.00 30.24 H new ATOM 0 HG2 MET A 99 -1.824 -1.876 4.902 1.00 74.13 H new ATOM 0 HG3 MET A 99 -1.732 -1.087 6.464 1.00 74.13 H new ATOM 0 HE1 MET A 99 1.949 -2.308 5.540 1.00 72.34 H new ATOM 0 HE2 MET A 99 0.660 -1.739 4.453 1.00 72.34 H new ATOM 0 HE3 MET A 99 0.971 -0.890 5.986 1.00 72.34 H new ATOM 1491 N HIS A 100 -5.961 -3.792 5.444 1.00 41.23 N ATOM 1492 CA HIS A 100 -6.993 -4.749 5.651 1.00 64.54 C ATOM 1493 C HIS A 100 -6.421 -6.099 5.314 1.00 74.24 C ATOM 1494 O HIS A 100 -5.960 -6.807 6.220 1.00 65.41 O ATOM 1495 CB HIS A 100 -8.210 -4.435 4.759 1.00 25.03 C ATOM 1496 CG HIS A 100 -8.791 -3.057 4.964 1.00 43.33 C ATOM 1497 ND1 HIS A 100 -9.817 -2.777 5.829 1.00 20.42 N ATOM 1498 CD2 HIS A 100 -8.457 -1.871 4.389 1.00 44.51 C ATOM 1499 CE1 HIS A 100 -10.077 -1.473 5.765 1.00 51.11 C ATOM 1500 NE2 HIS A 100 -9.276 -0.868 4.903 1.00 53.44 N ATOM 1501 OXT HIS A 100 -6.337 -6.420 4.121 1.00 38.49 O ATOM 0 H HIS A 100 -5.723 -3.641 4.464 1.00 41.23 H new ATOM 0 HA HIS A 100 -7.338 -4.726 6.685 1.00 64.54 H new ATOM 0 HB2 HIS A 100 -7.917 -4.541 3.714 1.00 25.03 H new ATOM 0 HB3 HIS A 100 -8.986 -5.176 4.950 1.00 25.03 H new ATOM 0 HD2 HIS A 100 -7.681 -1.729 3.652 1.00 44.51 H new ATOM 0 HE1 HIS A 100 -10.842 -0.974 6.341 1.00 51.11 H new ATOM 0 HE2 HIS A 100 -9.261 0.124 4.665 1.00 53.44 H new