USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 634 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 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 70 GLN : amide:sc= -2.53! C(o=-2.5!,f=-2.5!) USER MOD Set 2.1: A 36 LYS NZ :NH3+ 171:sc= 1.65 (180deg=-0.0136!) USER MOD Set 2.2: A 39 ASN : amide:sc= 0.96 K(o=2.6,f=-6.7!) USER MOD Set 2.3: A 46 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 18 THR OG1 : rot -42:sc= 1.2 USER MOD Set 3.2: A 21 THR OG1 : rot 180:sc= 1.18 USER MOD Single : A 0 GLY N :NH3+ -168:sc= -0.647! (180deg=-1.14!) USER MOD Single : A 1 MET CE :methyl 162:sc= -0.0808 (180deg=-0.462) USER MOD Single : A 6 TYR OH : rot -127:sc= 1.33 USER MOD Single : A 8 CYS SG : rot 9:sc= 0.968 USER MOD Single : A 17 THR OG1 : rot -44:sc= 1.57 USER MOD Single : A 20 GLN : amide:sc= 1.19 K(o=1.2,f=-0.12) USER MOD Single : A 27 SER OG : rot 55:sc= 1.18 USER MOD Single : A 28 GLN : amide:sc= -0.87 K(o=-0.87,f=0) USER MOD Single : A 35 SER OG : rot 27:sc= 1.06 USER MOD Single : A 43 THR OG1 : rot -60:sc= -0.408! USER MOD Single : A 53 THR OG1 : rot 177:sc= 0.315 USER MOD Single : A 55 LYS NZ :NH3+ -140:sc= 0.351 (180deg=-1.59!) USER MOD Single : A 58 LYS NZ :NH3+ 162:sc= 0.916 (180deg=0.34) USER MOD Single : A 60 MET CE :methyl 160:sc= -1.36 (180deg=-2.06!) USER MOD Single : A 68 ASN : amide:sc= 0.556 K(o=0.56,f=-4.9!) USER MOD Single : A 76 ASN : amide:sc= 0.141 K(o=0.14,f=-3.2!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0.285 K(o=0.28,f=-0.35) USER MOD Single : A 83 GLN : amide:sc= -0.547 K(o=-0.55,f=-1.2) USER MOD Single : A 84 SER OG : rot 126:sc= 0.407 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 22.095 9.122 -0.140 1.00 0.00 N ATOM 2 CA GLY A 0 22.474 7.924 0.606 1.00 0.00 C ATOM 3 C GLY A 0 21.922 6.692 -0.056 1.00 0.00 C ATOM 4 O GLY A 0 22.597 6.062 -0.855 1.00 0.00 O ATOM 0 H1 GLY A 0 22.644 9.935 0.206 1.00 0.00 H new ATOM 0 H2 GLY A 0 22.290 8.977 -1.151 1.00 0.00 H new ATOM 0 H3 GLY A 0 21.081 9.308 -0.006 1.00 0.00 H new ATOM 0 HA2 GLY A 0 23.560 7.855 0.667 1.00 0.00 H new ATOM 0 HA3 GLY A 0 22.101 7.992 1.628 1.00 0.00 H new ATOM 10 N MET A 1 20.696 6.386 0.264 1.00 0.00 N ATOM 11 CA MET A 1 19.951 5.279 -0.280 1.00 0.00 C ATOM 12 C MET A 1 18.529 5.623 0.006 1.00 0.00 C ATOM 13 O MET A 1 18.221 5.907 1.159 1.00 0.00 O ATOM 14 CB MET A 1 20.308 3.951 0.416 1.00 0.00 C ATOM 15 CG MET A 1 19.559 2.741 -0.151 1.00 0.00 C ATOM 16 SD MET A 1 19.923 1.192 0.715 1.00 0.00 S ATOM 17 CE MET A 1 19.260 1.539 2.352 1.00 0.00 C ATOM 0 H MET A 1 20.161 6.926 0.944 1.00 0.00 H new ATOM 0 HA MET A 1 20.164 5.136 -1.339 1.00 0.00 H new ATOM 0 HB2 MET A 1 21.381 3.779 0.325 1.00 0.00 H new ATOM 0 HB3 MET A 1 20.089 4.038 1.480 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.487 2.932 -0.102 1.00 0.00 H new ATOM 0 HG3 MET A 1 19.814 2.627 -1.205 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.116 0.603 2.892 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.958 2.171 2.901 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.303 2.053 2.256 1.00 0.00 H new ATOM 27 N ALA A 2 17.693 5.633 -1.023 1.00 0.00 N ATOM 28 CA ALA A 2 16.302 6.065 -0.914 1.00 0.00 C ATOM 29 C ALA A 2 16.234 7.551 -0.555 1.00 0.00 C ATOM 30 O ALA A 2 16.130 7.929 0.604 1.00 0.00 O ATOM 31 CB ALA A 2 15.479 5.200 0.057 1.00 0.00 C ATOM 0 H ALA A 2 17.960 5.340 -1.963 1.00 0.00 H new ATOM 0 HA ALA A 2 15.841 5.925 -1.892 1.00 0.00 H new ATOM 0 HB1 ALA A 2 14.455 5.570 0.095 1.00 0.00 H new ATOM 0 HB2 ALA A 2 15.479 4.166 -0.288 1.00 0.00 H new ATOM 0 HB3 ALA A 2 15.920 5.250 1.052 1.00 0.00 H new ATOM 37 N GLU A 3 16.329 8.385 -1.572 1.00 0.00 N ATOM 38 CA GLU A 3 16.359 9.840 -1.380 1.00 0.00 C ATOM 39 C GLU A 3 14.929 10.393 -1.454 1.00 0.00 C ATOM 40 O GLU A 3 14.691 11.600 -1.394 1.00 0.00 O ATOM 41 CB GLU A 3 17.217 10.496 -2.475 1.00 0.00 C ATOM 42 CG GLU A 3 18.571 9.821 -2.748 1.00 0.00 C ATOM 43 CD GLU A 3 19.539 9.822 -1.576 1.00 0.00 C ATOM 44 OE1 GLU A 3 19.538 8.870 -0.768 1.00 0.00 O ATOM 45 OE2 GLU A 3 20.390 10.716 -1.484 1.00 0.00 O1- ATOM 0 H GLU A 3 16.387 8.089 -2.546 1.00 0.00 H new ATOM 0 HA GLU A 3 16.791 10.064 -0.404 1.00 0.00 H new ATOM 0 HB2 GLU A 3 16.644 10.509 -3.402 1.00 0.00 H new ATOM 0 HB3 GLU A 3 17.398 11.534 -2.197 1.00 0.00 H new ATOM 0 HG2 GLU A 3 18.391 8.789 -3.050 1.00 0.00 H new ATOM 0 HG3 GLU A 3 19.046 10.322 -3.592 1.00 0.00 H new ATOM 52 N VAL A 4 14.008 9.485 -1.590 1.00 0.00 N ATOM 53 CA VAL A 4 12.586 9.749 -1.747 1.00 0.00 C ATOM 54 C VAL A 4 11.898 8.690 -0.912 1.00 0.00 C ATOM 55 O VAL A 4 12.532 7.669 -0.609 1.00 0.00 O ATOM 56 CB VAL A 4 12.150 9.573 -3.256 1.00 0.00 C ATOM 57 CG1 VAL A 4 10.686 9.920 -3.483 1.00 0.00 C ATOM 58 CG2 VAL A 4 13.019 10.395 -4.186 1.00 0.00 C ATOM 0 H VAL A 4 14.226 8.489 -1.596 1.00 0.00 H new ATOM 0 HA VAL A 4 12.333 10.765 -1.445 1.00 0.00 H new ATOM 0 HB VAL A 4 12.285 8.516 -3.486 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.438 9.782 -4.536 1.00 0.00 H new ATOM 0 HG12 VAL A 4 10.059 9.268 -2.874 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.510 10.958 -3.202 1.00 0.00 H new ATOM 0 HG21 VAL A 4 12.690 10.249 -5.215 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.936 11.450 -3.924 1.00 0.00 H new ATOM 0 HG23 VAL A 4 14.057 10.078 -4.089 1.00 0.00 H new ATOM 68 N GLU A 5 10.654 8.891 -0.523 1.00 0.00 N ATOM 69 CA GLU A 5 9.994 7.876 0.223 1.00 0.00 C ATOM 70 C GLU A 5 9.430 6.878 -0.766 1.00 0.00 C ATOM 71 O GLU A 5 9.078 7.250 -1.907 1.00 0.00 O ATOM 72 CB GLU A 5 8.890 8.421 1.136 1.00 0.00 C ATOM 73 CG GLU A 5 7.582 8.775 0.454 1.00 0.00 C ATOM 74 CD GLU A 5 7.532 10.102 -0.246 1.00 0.00 C ATOM 75 OE1 GLU A 5 8.399 10.388 -1.091 1.00 0.00 O1- ATOM 76 OE2 GLU A 5 6.578 10.854 0.025 1.00 0.00 O ATOM 0 H GLU A 5 10.105 9.729 -0.712 1.00 0.00 H new ATOM 0 HA GLU A 5 10.715 7.405 0.891 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.686 7.680 1.909 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.268 9.311 1.639 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.354 7.996 -0.274 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.790 8.753 1.202 1.00 0.00 H new ATOM 83 N TYR A 6 9.342 5.629 -0.407 1.00 0.00 N ATOM 84 CA TYR A 6 8.869 4.718 -1.365 1.00 0.00 C ATOM 85 C TYR A 6 7.447 4.363 -1.221 1.00 0.00 C ATOM 86 O TYR A 6 7.057 3.439 -0.520 1.00 0.00 O ATOM 87 CB TYR A 6 9.831 3.616 -1.685 1.00 0.00 C ATOM 88 CG TYR A 6 10.967 4.194 -2.478 1.00 0.00 C ATOM 89 CD1 TYR A 6 10.800 4.484 -3.820 1.00 0.00 C ATOM 90 CD2 TYR A 6 12.172 4.499 -1.894 1.00 0.00 C ATOM 91 CE1 TYR A 6 11.812 5.056 -4.559 1.00 0.00 C ATOM 92 CE2 TYR A 6 13.186 5.066 -2.626 1.00 0.00 C ATOM 93 CZ TYR A 6 13.004 5.344 -3.954 1.00 0.00 C ATOM 94 OH TYR A 6 14.023 5.906 -4.684 1.00 0.00 O ATOM 0 H TYR A 6 9.584 5.245 0.507 1.00 0.00 H new ATOM 0 HA TYR A 6 8.846 5.264 -2.308 1.00 0.00 H new ATOM 0 HB2 TYR A 6 10.203 3.159 -0.768 1.00 0.00 H new ATOM 0 HB3 TYR A 6 9.333 2.831 -2.253 1.00 0.00 H new ATOM 0 HD1 TYR A 6 9.858 4.258 -4.298 1.00 0.00 H new ATOM 0 HD2 TYR A 6 12.324 4.290 -0.845 1.00 0.00 H new ATOM 0 HE1 TYR A 6 11.665 5.275 -5.606 1.00 0.00 H new ATOM 0 HE2 TYR A 6 14.130 5.293 -2.153 1.00 0.00 H new ATOM 0 HH TYR A 6 14.837 5.372 -4.574 1.00 0.00 H new ATOM 104 N ARG A 7 6.683 5.149 -1.899 1.00 0.00 N ATOM 105 CA ARG A 7 5.274 5.117 -1.875 1.00 0.00 C ATOM 106 C ARG A 7 4.770 4.070 -2.869 1.00 0.00 C ATOM 107 O ARG A 7 5.153 4.045 -4.026 1.00 0.00 O ATOM 108 CB ARG A 7 4.809 6.529 -2.224 1.00 0.00 C ATOM 109 CG ARG A 7 3.334 6.809 -2.042 1.00 0.00 C ATOM 110 CD ARG A 7 3.051 8.319 -2.115 1.00 0.00 C ATOM 111 NE ARG A 7 3.823 9.074 -1.096 1.00 0.00 N ATOM 112 CZ ARG A 7 3.541 9.110 0.233 1.00 0.00 C ATOM 113 NH1 ARG A 7 2.413 8.554 0.702 1.00 0.00 N1+ ATOM 114 NH2 ARG A 7 4.362 9.729 1.070 1.00 0.00 N ATOM 0 H ARG A 7 7.054 5.870 -2.518 1.00 0.00 H new ATOM 0 HA ARG A 7 4.877 4.831 -0.901 1.00 0.00 H new ATOM 0 HB2 ARG A 7 5.370 7.236 -1.613 1.00 0.00 H new ATOM 0 HB3 ARG A 7 5.070 6.729 -3.263 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.763 6.290 -2.812 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.001 6.418 -1.080 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.303 8.688 -3.109 1.00 0.00 H new ATOM 0 HD3 ARG A 7 1.986 8.497 -1.969 1.00 0.00 H new ATOM 0 HE ARG A 7 4.629 9.608 -1.419 1.00 0.00 H new ATOM 0 HH11 ARG A 7 1.762 8.101 0.060 1.00 0.00 H new ATOM 0 HH12 ARG A 7 2.207 8.584 1.700 1.00 0.00 H new ATOM 0 HH21 ARG A 7 5.206 10.179 0.717 1.00 0.00 H new ATOM 0 HH22 ARG A 7 4.149 9.755 2.067 1.00 0.00 H new ATOM 128 N CYS A 8 3.970 3.201 -2.391 1.00 0.00 N ATOM 129 CA CYS A 8 3.434 2.118 -3.146 1.00 0.00 C ATOM 130 C CYS A 8 1.931 2.303 -3.247 1.00 0.00 C ATOM 131 O CYS A 8 1.310 2.861 -2.331 1.00 0.00 O ATOM 132 CB CYS A 8 3.781 0.805 -2.428 1.00 0.00 C ATOM 133 SG CYS A 8 3.240 -0.700 -3.250 1.00 0.00 S ATOM 0 H CYS A 8 3.651 3.217 -1.422 1.00 0.00 H new ATOM 0 HA CYS A 8 3.853 2.089 -4.152 1.00 0.00 H new ATOM 0 HB2 CYS A 8 4.862 0.758 -2.299 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.342 0.831 -1.431 1.00 0.00 H new ATOM 0 HG CYS A 8 2.805 -0.412 -4.441 1.00 0.00 H new ATOM 139 N PHE A 9 1.365 1.883 -4.344 1.00 0.00 N ATOM 140 CA PHE A 9 -0.051 1.990 -4.575 1.00 0.00 C ATOM 141 C PHE A 9 -0.632 0.604 -4.552 1.00 0.00 C ATOM 142 O PHE A 9 -0.176 -0.278 -5.300 1.00 0.00 O ATOM 143 CB PHE A 9 -0.312 2.648 -5.949 1.00 0.00 C ATOM 144 CG PHE A 9 -1.767 2.824 -6.346 1.00 0.00 C ATOM 145 CD1 PHE A 9 -2.500 1.771 -6.880 1.00 0.00 C ATOM 146 CD2 PHE A 9 -2.383 4.049 -6.210 1.00 0.00 C ATOM 147 CE1 PHE A 9 -3.812 1.941 -7.260 1.00 0.00 C ATOM 148 CE2 PHE A 9 -3.694 4.228 -6.595 1.00 0.00 C ATOM 149 CZ PHE A 9 -4.410 3.172 -7.121 1.00 0.00 C ATOM 0 H PHE A 9 1.879 1.452 -5.112 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.514 2.607 -3.805 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.165 3.628 -5.955 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.181 2.049 -6.714 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.033 0.804 -6.999 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.831 4.880 -5.796 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.370 1.110 -7.666 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.161 5.195 -6.485 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.438 3.312 -7.423 1.00 0.00 H new ATOM 159 N VAL A 10 -1.586 0.384 -3.698 1.00 0.00 N ATOM 160 CA VAL A 10 -2.248 -0.878 -3.660 1.00 0.00 C ATOM 161 C VAL A 10 -3.721 -0.642 -3.913 1.00 0.00 C ATOM 162 O VAL A 10 -4.408 -0.004 -3.114 1.00 0.00 O ATOM 163 CB VAL A 10 -2.061 -1.606 -2.299 1.00 0.00 C ATOM 164 CG1 VAL A 10 -2.662 -3.002 -2.356 1.00 0.00 C ATOM 165 CG2 VAL A 10 -0.590 -1.678 -1.908 1.00 0.00 C ATOM 0 H VAL A 10 -1.922 1.066 -3.018 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.812 -1.521 -4.425 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.584 -1.029 -1.536 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.522 -3.498 -1.395 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.727 -2.931 -2.576 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.168 -3.579 -3.137 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.492 -2.193 -0.952 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.037 -2.224 -2.672 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.187 -0.669 -1.820 1.00 0.00 H new ATOM 175 N GLY A 11 -4.187 -1.129 -5.018 1.00 0.00 N ATOM 176 CA GLY A 11 -5.554 -0.989 -5.382 1.00 0.00 C ATOM 177 C GLY A 11 -6.216 -2.318 -5.482 1.00 0.00 C ATOM 178 O GLY A 11 -5.552 -3.326 -5.727 1.00 0.00 O ATOM 0 H GLY A 11 -3.622 -1.639 -5.697 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.070 -0.376 -4.643 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.629 -0.468 -6.337 1.00 0.00 H new ATOM 182 N GLY A 12 -7.499 -2.341 -5.285 1.00 0.00 N ATOM 183 CA GLY A 12 -8.217 -3.573 -5.343 1.00 0.00 C ATOM 184 C GLY A 12 -8.229 -4.223 -3.997 1.00 0.00 C ATOM 185 O GLY A 12 -7.976 -5.401 -3.878 1.00 0.00 O ATOM 0 H GLY A 12 -8.069 -1.519 -5.083 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.239 -3.392 -5.678 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.755 -4.238 -6.073 1.00 0.00 H new ATOM 189 N LEU A 13 -8.496 -3.425 -2.994 1.00 0.00 N ATOM 190 CA LEU A 13 -8.569 -3.867 -1.618 1.00 0.00 C ATOM 191 C LEU A 13 -9.992 -4.282 -1.310 1.00 0.00 C ATOM 192 O LEU A 13 -10.890 -4.121 -2.153 1.00 0.00 O ATOM 193 CB LEU A 13 -8.161 -2.729 -0.674 1.00 0.00 C ATOM 194 CG LEU A 13 -6.749 -2.165 -0.852 1.00 0.00 C ATOM 195 CD1 LEU A 13 -6.530 -0.997 0.077 1.00 0.00 C ATOM 196 CD2 LEU A 13 -5.714 -3.228 -0.583 1.00 0.00 C ATOM 0 H LEU A 13 -8.673 -2.427 -3.111 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.891 -4.708 -1.474 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.872 -1.912 -0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.259 -3.085 0.352 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.646 -1.826 -1.883 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.522 -0.606 -0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.256 -0.215 -0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.654 -1.325 1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.717 -2.807 -0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.822 -3.591 0.439 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.853 -4.056 -1.279 1.00 0.00 H new ATOM 208 N ALA A 14 -10.219 -4.798 -0.134 1.00 0.00 N ATOM 209 CA ALA A 14 -11.533 -5.209 0.239 1.00 0.00 C ATOM 210 C ALA A 14 -12.219 -4.114 1.033 1.00 0.00 C ATOM 211 O ALA A 14 -11.634 -3.065 1.318 1.00 0.00 O ATOM 212 CB ALA A 14 -11.492 -6.499 1.032 1.00 0.00 C ATOM 0 H ALA A 14 -9.505 -4.942 0.580 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.107 -5.392 -0.670 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.506 -6.791 1.304 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.039 -7.284 0.427 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.902 -6.352 1.936 1.00 0.00 H new ATOM 218 N TRP A 15 -13.447 -4.366 1.394 1.00 0.00 N ATOM 219 CA TRP A 15 -14.251 -3.431 2.156 1.00 0.00 C ATOM 220 C TRP A 15 -13.873 -3.453 3.632 1.00 0.00 C ATOM 221 O TRP A 15 -14.190 -2.536 4.377 1.00 0.00 O ATOM 222 CB TRP A 15 -15.754 -3.730 1.968 1.00 0.00 C ATOM 223 CG TRP A 15 -16.119 -5.171 2.189 1.00 0.00 C ATOM 224 CD1 TRP A 15 -16.606 -5.744 3.327 1.00 0.00 C ATOM 225 CD2 TRP A 15 -16.003 -6.222 1.228 1.00 0.00 C ATOM 226 NE1 TRP A 15 -16.799 -7.094 3.124 1.00 0.00 N ATOM 227 CE2 TRP A 15 -16.435 -7.408 1.841 1.00 0.00 C ATOM 228 CE3 TRP A 15 -15.570 -6.262 -0.097 1.00 0.00 C ATOM 229 CZ2 TRP A 15 -16.447 -8.628 1.171 1.00 0.00 C ATOM 230 CZ3 TRP A 15 -15.580 -7.469 -0.764 1.00 0.00 C ATOM 231 CH2 TRP A 15 -16.017 -8.638 -0.130 1.00 0.00 C ATOM 0 H TRP A 15 -13.930 -5.235 1.168 1.00 0.00 H new ATOM 0 HA TRP A 15 -14.050 -2.428 1.778 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -16.327 -3.110 2.658 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -16.049 -3.441 0.959 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -16.810 -5.219 4.249 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -17.155 -7.752 3.817 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -15.233 -5.363 -0.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -16.782 -9.532 1.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -15.246 -7.513 -1.790 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -16.015 -9.568 -0.678 1.00 0.00 H new ATOM 242 N ALA A 16 -13.186 -4.505 4.036 1.00 0.00 N ATOM 243 CA ALA A 16 -12.784 -4.674 5.419 1.00 0.00 C ATOM 244 C ALA A 16 -11.344 -4.230 5.629 1.00 0.00 C ATOM 245 O ALA A 16 -10.890 -4.088 6.767 1.00 0.00 O ATOM 246 CB ALA A 16 -12.962 -6.125 5.841 1.00 0.00 C ATOM 0 H ALA A 16 -12.893 -5.262 3.419 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.421 -4.045 6.040 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -12.657 -6.241 6.881 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -14.009 -6.409 5.736 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -12.347 -6.766 5.209 1.00 0.00 H new ATOM 252 N THR A 17 -10.643 -3.988 4.535 1.00 0.00 N ATOM 253 CA THR A 17 -9.260 -3.606 4.593 1.00 0.00 C ATOM 254 C THR A 17 -9.114 -2.212 5.218 1.00 0.00 C ATOM 255 O THR A 17 -9.633 -1.214 4.693 1.00 0.00 O ATOM 256 CB THR A 17 -8.653 -3.599 3.172 1.00 0.00 C ATOM 257 OG1 THR A 17 -8.923 -4.860 2.529 1.00 0.00 O ATOM 258 CG2 THR A 17 -7.145 -3.382 3.234 1.00 0.00 C ATOM 0 H THR A 17 -11.022 -4.053 3.590 1.00 0.00 H new ATOM 0 HA THR A 17 -8.729 -4.329 5.211 1.00 0.00 H new ATOM 0 HB THR A 17 -9.104 -2.785 2.605 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.760 -5.591 3.161 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.736 -3.380 2.224 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.934 -2.426 3.712 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.685 -4.185 3.810 1.00 0.00 H new ATOM 266 N THR A 18 -8.429 -2.151 6.332 1.00 0.00 N ATOM 267 CA THR A 18 -8.182 -0.902 6.997 1.00 0.00 C ATOM 268 C THR A 18 -6.780 -0.517 6.805 1.00 0.00 C ATOM 269 O THR A 18 -5.958 -1.287 6.274 1.00 0.00 O ATOM 270 CB THR A 18 -8.518 -0.947 8.513 1.00 0.00 C ATOM 271 OG1 THR A 18 -7.669 -1.881 9.196 1.00 0.00 O ATOM 272 CG2 THR A 18 -9.977 -1.312 8.747 1.00 0.00 C ATOM 0 H THR A 18 -8.029 -2.964 6.800 1.00 0.00 H new ATOM 0 HA THR A 18 -8.844 -0.160 6.551 1.00 0.00 H new ATOM 0 HB THR A 18 -8.343 0.051 8.914 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.572 -2.692 8.654 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.179 -1.335 9.818 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.618 -0.569 8.272 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.180 -2.294 8.319 1.00 0.00 H new ATOM 280 N ASP A 19 -6.509 0.668 7.226 1.00 0.00 N ATOM 281 CA ASP A 19 -5.229 1.265 7.132 1.00 0.00 C ATOM 282 C ASP A 19 -4.211 0.452 7.906 1.00 0.00 C ATOM 283 O ASP A 19 -3.045 0.361 7.520 1.00 0.00 O ATOM 284 CB ASP A 19 -5.302 2.659 7.687 1.00 0.00 C ATOM 285 CG ASP A 19 -6.378 3.509 7.063 1.00 0.00 C ATOM 286 OD1 ASP A 19 -6.143 4.102 6.012 1.00 0.00 O1- ATOM 287 OD2 ASP A 19 -7.478 3.606 7.616 1.00 0.00 O ATOM 0 H ASP A 19 -7.205 1.271 7.664 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.919 1.298 6.088 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.475 2.603 8.762 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.338 3.147 7.544 1.00 0.00 H new ATOM 292 N GLN A 20 -4.678 -0.191 8.975 1.00 0.00 N ATOM 293 CA GLN A 20 -3.829 -1.012 9.787 1.00 0.00 C ATOM 294 C GLN A 20 -3.449 -2.235 8.990 1.00 0.00 C ATOM 295 O GLN A 20 -2.286 -2.479 8.761 1.00 0.00 O ATOM 296 CB GLN A 20 -4.542 -1.462 11.057 1.00 0.00 C ATOM 297 CG GLN A 20 -3.625 -2.188 12.031 1.00 0.00 C ATOM 298 CD GLN A 20 -4.376 -2.939 13.097 1.00 0.00 C ATOM 299 OE1 GLN A 20 -4.711 -2.395 14.146 1.00 0.00 O ATOM 300 NE2 GLN A 20 -4.594 -4.203 12.862 1.00 0.00 N ATOM 0 H GLN A 20 -5.648 -0.148 9.287 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.951 -0.433 10.072 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.973 -0.592 11.553 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.370 -2.118 10.789 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.996 -2.885 11.478 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.960 -1.465 12.504 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.299 -4.615 11.977 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.059 -4.779 13.563 1.00 0.00 H new ATOM 309 N THR A 21 -4.467 -2.939 8.508 1.00 0.00 N ATOM 310 CA THR A 21 -4.338 -4.172 7.783 1.00 0.00 C ATOM 311 C THR A 21 -3.432 -4.024 6.548 1.00 0.00 C ATOM 312 O THR A 21 -2.658 -4.926 6.207 1.00 0.00 O ATOM 313 CB THR A 21 -5.733 -4.601 7.354 1.00 0.00 C ATOM 314 OG1 THR A 21 -6.657 -4.204 8.393 1.00 0.00 O ATOM 315 CG2 THR A 21 -5.787 -6.088 7.235 1.00 0.00 C ATOM 0 H THR A 21 -5.437 -2.645 8.622 1.00 0.00 H new ATOM 0 HA THR A 21 -3.874 -4.919 8.427 1.00 0.00 H new ATOM 0 HB THR A 21 -5.984 -4.144 6.397 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.566 -4.468 8.140 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.787 -6.392 6.928 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.062 -6.420 6.492 1.00 0.00 H new ATOM 0 HG23 THR A 21 -5.551 -6.539 8.199 1.00 0.00 H new ATOM 323 N LEU A 22 -3.522 -2.880 5.897 1.00 0.00 N ATOM 324 CA LEU A 22 -2.703 -2.614 4.743 1.00 0.00 C ATOM 325 C LEU A 22 -1.244 -2.412 5.175 1.00 0.00 C ATOM 326 O LEU A 22 -0.329 -2.988 4.595 1.00 0.00 O ATOM 327 CB LEU A 22 -3.228 -1.383 3.991 1.00 0.00 C ATOM 328 CG LEU A 22 -2.536 -1.058 2.664 1.00 0.00 C ATOM 329 CD1 LEU A 22 -2.746 -2.178 1.657 1.00 0.00 C ATOM 330 CD2 LEU A 22 -3.034 0.264 2.102 1.00 0.00 C ATOM 0 H LEU A 22 -4.156 -2.123 6.152 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.748 -3.468 4.067 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.291 -1.527 3.797 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.138 -0.517 4.646 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.467 -0.966 2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.246 -1.925 0.722 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.330 -3.105 2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.813 -2.308 1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.528 0.473 1.160 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.109 0.205 1.931 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.823 1.064 2.812 1.00 0.00 H new ATOM 342 N GLY A 23 -1.050 -1.636 6.222 1.00 0.00 N ATOM 343 CA GLY A 23 0.281 -1.350 6.701 1.00 0.00 C ATOM 344 C GLY A 23 0.959 -2.546 7.363 1.00 0.00 C ATOM 345 O GLY A 23 2.138 -2.814 7.100 1.00 0.00 O ATOM 0 H GLY A 23 -1.799 -1.194 6.755 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.894 -1.011 5.866 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.233 -0.528 7.415 1.00 0.00 H new ATOM 349 N GLU A 24 0.211 -3.280 8.183 1.00 0.00 N ATOM 350 CA GLU A 24 0.747 -4.401 8.965 1.00 0.00 C ATOM 351 C GLU A 24 1.343 -5.490 8.066 1.00 0.00 C ATOM 352 O GLU A 24 2.428 -6.007 8.342 1.00 0.00 O ATOM 353 CB GLU A 24 -0.324 -4.970 9.937 1.00 0.00 C ATOM 354 CG GLU A 24 -1.540 -5.595 9.277 1.00 0.00 C ATOM 355 CD GLU A 24 -2.608 -6.006 10.280 1.00 0.00 C ATOM 356 OE1 GLU A 24 -3.493 -5.169 10.601 1.00 0.00 O ATOM 357 OE2 GLU A 24 -2.579 -7.147 10.742 1.00 0.00 O1- ATOM 0 H GLU A 24 -0.786 -3.117 8.327 1.00 0.00 H new ATOM 0 HA GLU A 24 1.566 -4.016 9.573 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.148 -5.720 10.572 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.661 -4.165 10.590 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.967 -4.886 8.568 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.229 -6.469 8.706 1.00 0.00 H new ATOM 364 N ALA A 25 0.677 -5.758 6.952 1.00 0.00 N ATOM 365 CA ALA A 25 1.114 -6.777 6.011 1.00 0.00 C ATOM 366 C ALA A 25 2.450 -6.405 5.362 1.00 0.00 C ATOM 367 O ALA A 25 3.298 -7.259 5.109 1.00 0.00 O ATOM 368 CB ALA A 25 0.048 -6.991 4.946 1.00 0.00 C ATOM 0 H ALA A 25 -0.179 -5.276 6.676 1.00 0.00 H new ATOM 0 HA ALA A 25 1.262 -7.706 6.562 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.383 -7.756 4.245 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.879 -7.313 5.419 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.124 -6.057 4.410 1.00 0.00 H new ATOM 374 N PHE A 26 2.643 -5.128 5.121 1.00 0.00 N ATOM 375 CA PHE A 26 3.852 -4.663 4.474 1.00 0.00 C ATOM 376 C PHE A 26 4.972 -4.364 5.454 1.00 0.00 C ATOM 377 O PHE A 26 6.125 -4.170 5.049 1.00 0.00 O ATOM 378 CB PHE A 26 3.594 -3.485 3.557 1.00 0.00 C ATOM 379 CG PHE A 26 2.748 -3.828 2.356 1.00 0.00 C ATOM 380 CD1 PHE A 26 3.270 -4.586 1.328 1.00 0.00 C ATOM 381 CD2 PHE A 26 1.441 -3.402 2.259 1.00 0.00 C ATOM 382 CE1 PHE A 26 2.507 -4.910 0.224 1.00 0.00 C ATOM 383 CE2 PHE A 26 0.670 -3.721 1.160 1.00 0.00 C ATOM 384 CZ PHE A 26 1.203 -4.475 0.139 1.00 0.00 C ATOM 0 H PHE A 26 1.979 -4.392 5.363 1.00 0.00 H new ATOM 0 HA PHE A 26 4.192 -5.493 3.855 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.102 -2.695 4.124 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.549 -3.085 3.216 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.292 -4.931 1.388 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.014 -2.810 3.055 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.932 -5.504 -0.572 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.353 -3.379 1.101 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.602 -4.724 -0.723 1.00 0.00 H new ATOM 394 N SER A 27 4.650 -4.361 6.740 1.00 0.00 N ATOM 395 CA SER A 27 5.629 -4.083 7.793 1.00 0.00 C ATOM 396 C SER A 27 6.709 -5.181 7.858 1.00 0.00 C ATOM 397 O SER A 27 7.742 -5.020 8.491 1.00 0.00 O ATOM 398 CB SER A 27 4.927 -3.927 9.142 1.00 0.00 C ATOM 399 OG SER A 27 3.978 -2.864 9.103 1.00 0.00 O ATOM 0 H SER A 27 3.709 -4.550 7.086 1.00 0.00 H new ATOM 0 HA SER A 27 6.130 -3.145 7.552 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.425 -4.858 9.405 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.665 -3.732 9.920 1.00 0.00 H new ATOM 0 HG SER A 27 3.348 -3.015 8.368 1.00 0.00 H new ATOM 405 N GLN A 28 6.442 -6.293 7.184 1.00 0.00 N ATOM 406 CA GLN A 28 7.370 -7.407 7.108 1.00 0.00 C ATOM 407 C GLN A 28 8.508 -7.112 6.120 1.00 0.00 C ATOM 408 O GLN A 28 9.472 -7.865 6.041 1.00 0.00 O ATOM 409 CB GLN A 28 6.632 -8.671 6.662 1.00 0.00 C ATOM 410 CG GLN A 28 5.514 -9.112 7.597 1.00 0.00 C ATOM 411 CD GLN A 28 4.768 -10.342 7.093 1.00 0.00 C ATOM 412 OE1 GLN A 28 3.594 -10.516 7.358 1.00 0.00 O ATOM 413 NE2 GLN A 28 5.444 -11.202 6.365 1.00 0.00 N ATOM 0 H GLN A 28 5.572 -6.445 6.674 1.00 0.00 H new ATOM 0 HA GLN A 28 7.797 -7.557 8.099 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.213 -8.501 5.670 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.353 -9.484 6.569 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.933 -9.325 8.580 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.808 -8.291 7.723 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.428 -11.032 6.157 1.00 0.00 H new ATOM 0 HE22 GLN A 28 4.985 -12.040 6.007 1.00 0.00 H new ATOM 422 N PHE A 29 8.374 -6.037 5.359 1.00 0.00 N ATOM 423 CA PHE A 29 9.379 -5.684 4.362 1.00 0.00 C ATOM 424 C PHE A 29 10.141 -4.452 4.786 1.00 0.00 C ATOM 425 O PHE A 29 11.361 -4.397 4.667 1.00 0.00 O ATOM 426 CB PHE A 29 8.727 -5.437 3.003 1.00 0.00 C ATOM 427 CG PHE A 29 7.938 -6.599 2.503 1.00 0.00 C ATOM 428 CD1 PHE A 29 8.568 -7.680 1.922 1.00 0.00 C ATOM 429 CD2 PHE A 29 6.564 -6.615 2.624 1.00 0.00 C ATOM 430 CE1 PHE A 29 7.844 -8.755 1.467 1.00 0.00 C ATOM 431 CE2 PHE A 29 5.834 -7.682 2.174 1.00 0.00 C ATOM 432 CZ PHE A 29 6.477 -8.757 1.592 1.00 0.00 C ATOM 0 H PHE A 29 7.583 -5.395 5.410 1.00 0.00 H new ATOM 0 HA PHE A 29 10.073 -6.520 4.277 1.00 0.00 H new ATOM 0 HB2 PHE A 29 8.073 -4.568 3.075 1.00 0.00 H new ATOM 0 HB3 PHE A 29 9.502 -5.194 2.276 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.644 -7.681 1.824 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.058 -5.776 3.079 1.00 0.00 H new ATOM 0 HE1 PHE A 29 8.348 -9.595 1.013 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.759 -7.683 2.274 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.904 -9.600 1.235 1.00 0.00 H new ATOM 442 N GLY A 30 9.421 -3.464 5.265 1.00 0.00 N ATOM 443 CA GLY A 30 10.052 -2.266 5.730 1.00 0.00 C ATOM 444 C GLY A 30 9.106 -1.489 6.575 1.00 0.00 C ATOM 445 O GLY A 30 7.899 -1.784 6.569 1.00 0.00 O ATOM 0 H GLY A 30 8.404 -3.472 5.340 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.945 -2.514 6.303 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.375 -1.662 4.882 1.00 0.00 H new ATOM 449 N GLU A 31 9.619 -0.526 7.308 1.00 0.00 N ATOM 450 CA GLU A 31 8.807 0.297 8.147 1.00 0.00 C ATOM 451 C GLU A 31 7.920 1.161 7.290 1.00 0.00 C ATOM 452 O GLU A 31 8.371 1.756 6.285 1.00 0.00 O ATOM 453 CB GLU A 31 9.636 1.196 9.081 1.00 0.00 C ATOM 454 CG GLU A 31 10.760 0.504 9.839 1.00 0.00 C ATOM 455 CD GLU A 31 12.058 0.549 9.077 1.00 0.00 C ATOM 456 OE1 GLU A 31 12.117 0.061 7.934 1.00 0.00 O1- ATOM 457 OE2 GLU A 31 13.012 1.160 9.557 1.00 0.00 O ATOM 0 H GLU A 31 10.613 -0.299 7.332 1.00 0.00 H new ATOM 0 HA GLU A 31 8.215 -0.368 8.775 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.066 2.004 8.489 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.963 1.654 9.805 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.892 0.982 10.810 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.486 -0.534 10.029 1.00 0.00 H new ATOM 464 N ILE A 32 6.684 1.218 7.666 1.00 0.00 N ATOM 465 CA ILE A 32 5.712 1.987 6.965 1.00 0.00 C ATOM 466 C ILE A 32 5.763 3.400 7.502 1.00 0.00 C ATOM 467 O ILE A 32 5.505 3.624 8.682 1.00 0.00 O ATOM 468 CB ILE A 32 4.291 1.399 7.174 1.00 0.00 C ATOM 469 CG1 ILE A 32 4.269 -0.115 6.872 1.00 0.00 C ATOM 470 CG2 ILE A 32 3.268 2.129 6.318 1.00 0.00 C ATOM 471 CD1 ILE A 32 4.727 -0.494 5.474 1.00 0.00 C ATOM 0 H ILE A 32 6.318 0.724 8.480 1.00 0.00 H new ATOM 0 HA ILE A 32 5.929 1.970 5.897 1.00 0.00 H new ATOM 0 HB ILE A 32 4.023 1.542 8.221 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.903 -0.625 7.597 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.255 -0.486 7.019 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.281 1.697 6.483 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.253 3.184 6.590 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.536 2.029 5.266 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.677 -1.576 5.356 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.079 -0.018 4.738 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.754 -0.160 5.324 1.00 0.00 H new ATOM 483 N LEU A 33 6.124 4.331 6.658 1.00 0.00 N ATOM 484 CA LEU A 33 6.250 5.713 7.067 1.00 0.00 C ATOM 485 C LEU A 33 4.870 6.354 7.101 1.00 0.00 C ATOM 486 O LEU A 33 4.560 7.148 7.984 1.00 0.00 O ATOM 487 CB LEU A 33 7.186 6.486 6.123 1.00 0.00 C ATOM 488 CG LEU A 33 8.610 5.912 5.914 1.00 0.00 C ATOM 489 CD1 LEU A 33 9.402 6.810 4.979 1.00 0.00 C ATOM 490 CD2 LEU A 33 9.362 5.727 7.242 1.00 0.00 C ATOM 0 H LEU A 33 6.338 4.159 5.676 1.00 0.00 H new ATOM 0 HA LEU A 33 6.689 5.749 8.064 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.702 6.554 5.148 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.284 7.503 6.502 1.00 0.00 H new ATOM 0 HG LEU A 33 8.503 4.925 5.464 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.401 6.398 4.839 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.895 6.869 4.016 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.478 7.808 5.411 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.355 5.323 7.045 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.456 6.690 7.744 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.809 5.037 7.880 1.00 0.00 H new ATOM 502 N ASP A 34 4.041 5.974 6.141 1.00 0.00 N ATOM 503 CA ASP A 34 2.665 6.437 6.065 1.00 0.00 C ATOM 504 C ASP A 34 1.879 5.466 5.232 1.00 0.00 C ATOM 505 O ASP A 34 2.433 4.826 4.344 1.00 0.00 O ATOM 506 CB ASP A 34 2.517 7.882 5.495 1.00 0.00 C ATOM 507 CG ASP A 34 2.709 8.051 3.985 1.00 0.00 C ATOM 508 OD1 ASP A 34 1.733 7.918 3.220 1.00 0.00 O1- ATOM 509 OD2 ASP A 34 3.824 8.362 3.536 1.00 0.00 O ATOM 0 H ASP A 34 4.305 5.334 5.391 1.00 0.00 H new ATOM 0 HA ASP A 34 2.280 6.483 7.084 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.524 8.250 5.755 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.237 8.523 6.003 1.00 0.00 H new ATOM 514 N SER A 35 0.642 5.271 5.573 1.00 0.00 N ATOM 515 CA SER A 35 -0.223 4.431 4.816 1.00 0.00 C ATOM 516 C SER A 35 -1.635 4.885 5.069 1.00 0.00 C ATOM 517 O SER A 35 -1.999 5.170 6.213 1.00 0.00 O ATOM 518 CB SER A 35 -0.039 2.949 5.201 1.00 0.00 C ATOM 519 OG SER A 35 -0.718 2.082 4.300 1.00 0.00 O ATOM 0 H SER A 35 0.205 5.695 6.391 1.00 0.00 H new ATOM 0 HA SER A 35 0.013 4.508 3.755 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.023 2.705 5.210 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.412 2.787 6.212 1.00 0.00 H new ATOM 0 HG SER A 35 -0.789 2.513 3.423 1.00 0.00 H new ATOM 525 N LYS A 36 -2.398 5.015 4.020 1.00 0.00 N ATOM 526 CA LYS A 36 -3.773 5.416 4.120 1.00 0.00 C ATOM 527 C LYS A 36 -4.596 4.813 3.026 1.00 0.00 C ATOM 528 O LYS A 36 -4.198 4.828 1.849 1.00 0.00 O ATOM 529 CB LYS A 36 -3.952 6.956 4.105 1.00 0.00 C ATOM 530 CG LYS A 36 -4.106 7.622 5.487 1.00 0.00 C ATOM 531 CD LYS A 36 -5.288 7.033 6.280 1.00 0.00 C ATOM 532 CE LYS A 36 -6.624 7.136 5.523 1.00 0.00 C ATOM 533 NZ LYS A 36 -7.671 6.263 6.119 1.00 0.00 N1+ ATOM 0 H LYS A 36 -2.081 4.845 3.066 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.121 5.046 5.085 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.092 7.399 3.602 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.830 7.196 3.506 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.186 7.492 6.057 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.253 8.694 5.359 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.083 5.986 6.505 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.375 7.553 7.234 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.967 8.171 5.532 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.472 6.859 4.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.590 6.473 5.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.428 5.266 5.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.728 6.439 7.142 1.00 0.00 H new ATOM 547 N ILE A 37 -5.711 4.256 3.417 1.00 0.00 N ATOM 548 CA ILE A 37 -6.714 3.792 2.506 1.00 0.00 C ATOM 549 C ILE A 37 -7.391 5.031 1.969 1.00 0.00 C ATOM 550 O ILE A 37 -7.638 5.983 2.725 1.00 0.00 O ATOM 551 CB ILE A 37 -7.807 2.933 3.237 1.00 0.00 C ATOM 552 CG1 ILE A 37 -7.192 1.753 3.999 1.00 0.00 C ATOM 553 CG2 ILE A 37 -8.880 2.436 2.261 1.00 0.00 C ATOM 554 CD1 ILE A 37 -6.448 0.766 3.143 1.00 0.00 C ATOM 0 H ILE A 37 -5.949 4.111 4.398 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.255 3.174 1.734 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.284 3.590 3.964 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.510 2.143 4.755 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.987 1.227 4.528 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.619 1.846 2.803 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.370 3.290 1.793 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.415 1.819 1.492 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -6.049 -0.032 3.770 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.127 0.341 2.403 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.627 1.272 2.634 1.00 0.00 H new ATOM 566 N ILE A 38 -7.652 5.062 0.710 1.00 0.00 N ATOM 567 CA ILE A 38 -8.352 6.164 0.153 1.00 0.00 C ATOM 568 C ILE A 38 -9.820 5.934 0.392 1.00 0.00 C ATOM 569 O ILE A 38 -10.442 5.033 -0.196 1.00 0.00 O ATOM 570 CB ILE A 38 -8.039 6.367 -1.351 1.00 0.00 C ATOM 571 CG1 ILE A 38 -6.521 6.593 -1.556 1.00 0.00 C ATOM 572 CG2 ILE A 38 -8.849 7.536 -1.928 1.00 0.00 C ATOM 573 CD1 ILE A 38 -5.956 7.821 -0.854 1.00 0.00 C ATOM 0 H ILE A 38 -7.390 4.334 0.045 1.00 0.00 H new ATOM 0 HA ILE A 38 -8.028 7.085 0.637 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.330 5.464 -1.888 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.986 5.712 -1.202 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.322 6.679 -2.624 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.611 7.657 -2.985 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -9.914 7.331 -1.817 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.599 8.452 -1.392 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.887 7.896 -1.056 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.459 8.715 -1.224 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.117 7.732 0.220 1.00 0.00 H new ATOM 585 N ASN A 39 -10.340 6.661 1.327 1.00 0.00 N ATOM 586 CA ASN A 39 -11.708 6.528 1.702 1.00 0.00 C ATOM 587 C ASN A 39 -12.568 7.458 0.886 1.00 0.00 C ATOM 588 O ASN A 39 -12.070 8.354 0.191 1.00 0.00 O ATOM 589 CB ASN A 39 -11.927 6.782 3.210 1.00 0.00 C ATOM 590 CG ASN A 39 -11.092 5.878 4.121 1.00 0.00 C ATOM 591 OD1 ASN A 39 -9.987 6.243 4.551 1.00 0.00 O ATOM 592 ND2 ASN A 39 -11.591 4.705 4.415 1.00 0.00 N ATOM 0 H ASN A 39 -9.825 7.366 1.854 1.00 0.00 H new ATOM 0 HA ASN A 39 -12.000 5.497 1.500 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.689 7.823 3.431 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -12.982 6.640 3.443 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.069 4.064 5.012 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.502 4.432 4.047 1.00 0.00 H new ATOM 599 N ASP A 40 -13.832 7.235 0.959 1.00 0.00 N ATOM 600 CA ASP A 40 -14.812 8.024 0.281 1.00 0.00 C ATOM 601 C ASP A 40 -15.346 8.988 1.305 1.00 0.00 C ATOM 602 O ASP A 40 -15.933 8.570 2.285 1.00 0.00 O ATOM 603 CB ASP A 40 -15.928 7.108 -0.216 1.00 0.00 C ATOM 604 CG ASP A 40 -16.939 7.781 -1.102 1.00 0.00 C ATOM 605 OD1 ASP A 40 -17.771 8.512 -0.602 1.00 0.00 O1- ATOM 606 OD2 ASP A 40 -16.923 7.523 -2.336 1.00 0.00 O ATOM 0 H ASP A 40 -14.231 6.474 1.509 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.398 8.553 -0.577 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.482 6.276 -0.761 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -16.444 6.684 0.646 1.00 0.00 H new ATOM 611 N ARG A 41 -15.108 10.250 1.102 1.00 0.00 N ATOM 612 CA ARG A 41 -15.464 11.287 2.081 1.00 0.00 C ATOM 613 C ARG A 41 -16.968 11.444 2.102 1.00 0.00 C ATOM 614 O ARG A 41 -17.584 11.624 3.144 1.00 0.00 O ATOM 615 CB ARG A 41 -14.872 12.617 1.628 1.00 0.00 C ATOM 616 CG ARG A 41 -13.408 12.566 1.243 1.00 0.00 C ATOM 617 CD ARG A 41 -13.070 13.727 0.319 1.00 0.00 C ATOM 618 NE ARG A 41 -13.890 13.680 -0.920 1.00 0.00 N ATOM 619 CZ ARG A 41 -13.736 14.449 -2.006 1.00 0.00 C ATOM 620 NH1 ARG A 41 -12.785 15.393 -2.038 1.00 0.00 N1+ ATOM 621 NH2 ARG A 41 -14.541 14.272 -3.061 1.00 0.00 N ATOM 0 H ARG A 41 -14.662 10.611 0.259 1.00 0.00 H new ATOM 0 HA ARG A 41 -15.087 11.007 3.064 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -15.444 12.981 0.775 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -14.997 13.345 2.429 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.787 12.610 2.138 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -13.187 11.621 0.748 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.242 14.670 0.837 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -12.012 13.694 0.060 1.00 0.00 H new ATOM 0 HE ARG A 41 -14.645 12.994 -0.946 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.174 15.529 -1.233 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -12.672 15.976 -2.868 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -15.266 13.555 -3.035 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -14.429 14.854 -3.891 1.00 0.00 H new ATOM 635 N GLU A 42 -17.508 11.373 0.917 1.00 0.00 N ATOM 636 CA GLU A 42 -18.886 11.573 0.622 1.00 0.00 C ATOM 637 C GLU A 42 -19.804 10.556 1.335 1.00 0.00 C ATOM 638 O GLU A 42 -20.888 10.911 1.792 1.00 0.00 O ATOM 639 CB GLU A 42 -19.106 11.556 -0.921 1.00 0.00 C ATOM 640 CG GLU A 42 -18.311 12.634 -1.734 1.00 0.00 C ATOM 641 CD GLU A 42 -16.823 12.312 -2.040 1.00 0.00 C ATOM 642 OE1 GLU A 42 -16.020 12.070 -1.131 1.00 0.00 O1- ATOM 643 OE2 GLU A 42 -16.416 12.326 -3.227 1.00 0.00 O ATOM 0 H GLU A 42 -16.957 11.160 0.085 1.00 0.00 H new ATOM 0 HA GLU A 42 -19.167 12.552 1.010 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -18.833 10.570 -1.297 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -20.169 11.690 -1.119 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -18.827 12.797 -2.680 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -18.351 13.574 -1.184 1.00 0.00 H new ATOM 650 N THR A 43 -19.382 9.309 1.417 1.00 0.00 N ATOM 651 CA THR A 43 -20.198 8.289 2.067 1.00 0.00 C ATOM 652 C THR A 43 -19.567 7.684 3.335 1.00 0.00 C ATOM 653 O THR A 43 -20.247 7.006 4.102 1.00 0.00 O ATOM 654 CB THR A 43 -20.587 7.177 1.080 1.00 0.00 C ATOM 655 OG1 THR A 43 -19.433 6.754 0.351 1.00 0.00 O ATOM 656 CG2 THR A 43 -21.634 7.662 0.108 1.00 0.00 C ATOM 0 H THR A 43 -18.491 8.976 1.048 1.00 0.00 H new ATOM 0 HA THR A 43 -21.095 8.812 2.398 1.00 0.00 H new ATOM 0 HB THR A 43 -20.995 6.343 1.650 1.00 0.00 H new ATOM 0 HG1 THR A 43 -19.064 7.513 -0.146 1.00 0.00 H new ATOM 0 HG21 THR A 43 -21.893 6.857 -0.580 1.00 0.00 H new ATOM 0 HG22 THR A 43 -22.524 7.971 0.656 1.00 0.00 H new ATOM 0 HG23 THR A 43 -21.243 8.509 -0.455 1.00 0.00 H new ATOM 664 N GLY A 44 -18.277 7.894 3.535 1.00 0.00 N ATOM 665 CA GLY A 44 -17.610 7.378 4.732 1.00 0.00 C ATOM 666 C GLY A 44 -17.056 5.968 4.551 1.00 0.00 C ATOM 667 O GLY A 44 -16.463 5.400 5.464 1.00 0.00 O ATOM 0 H GLY A 44 -17.672 8.411 2.897 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -16.795 8.049 5.004 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -18.316 7.380 5.563 1.00 0.00 H new ATOM 671 N ARG A 45 -17.241 5.415 3.374 1.00 0.00 N ATOM 672 CA ARG A 45 -16.773 4.057 3.066 1.00 0.00 C ATOM 673 C ARG A 45 -15.322 4.099 2.555 1.00 0.00 C ATOM 674 O ARG A 45 -14.732 5.163 2.420 1.00 0.00 O ATOM 675 CB ARG A 45 -17.667 3.439 1.978 1.00 0.00 C ATOM 676 CG ARG A 45 -17.646 4.265 0.719 1.00 0.00 C ATOM 677 CD ARG A 45 -18.494 3.733 -0.408 1.00 0.00 C ATOM 678 NE ARG A 45 -18.455 4.696 -1.514 1.00 0.00 N ATOM 679 CZ ARG A 45 -18.369 4.425 -2.813 1.00 0.00 C ATOM 680 NH1 ARG A 45 -18.504 3.170 -3.258 1.00 0.00 N1+ ATOM 681 NH2 ARG A 45 -18.148 5.425 -3.668 1.00 0.00 N ATOM 0 H ARG A 45 -17.715 5.879 2.599 1.00 0.00 H new ATOM 0 HA ARG A 45 -16.820 3.456 3.974 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -17.328 2.427 1.757 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -18.690 3.359 2.346 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -17.980 5.274 0.959 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -16.616 4.344 0.372 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -18.122 2.763 -0.737 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -19.520 3.583 -0.072 1.00 0.00 H new ATOM 0 HE ARG A 45 -18.499 5.682 -1.258 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -18.675 2.411 -2.599 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -18.436 2.973 -4.256 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -18.048 6.379 -3.322 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -18.079 5.235 -4.668 1.00 0.00 H new ATOM 695 N SER A 46 -14.765 2.958 2.270 1.00 0.00 N ATOM 696 CA SER A 46 -13.454 2.880 1.672 1.00 0.00 C ATOM 697 C SER A 46 -13.616 2.784 0.145 1.00 0.00 C ATOM 698 O SER A 46 -14.626 2.260 -0.332 1.00 0.00 O ATOM 699 CB SER A 46 -12.719 1.660 2.230 1.00 0.00 C ATOM 700 OG SER A 46 -12.650 1.741 3.647 1.00 0.00 O ATOM 0 H SER A 46 -15.202 2.053 2.443 1.00 0.00 H new ATOM 0 HA SER A 46 -12.867 3.768 1.907 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.236 0.747 1.934 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.714 1.607 1.811 1.00 0.00 H new ATOM 0 HG SER A 46 -12.179 0.956 3.997 1.00 0.00 H new ATOM 706 N ARG A 47 -12.665 3.319 -0.622 1.00 0.00 N ATOM 707 CA ARG A 47 -12.758 3.257 -2.084 1.00 0.00 C ATOM 708 C ARG A 47 -11.988 2.086 -2.679 1.00 0.00 C ATOM 709 O ARG A 47 -11.846 1.976 -3.888 1.00 0.00 O ATOM 710 CB ARG A 47 -12.400 4.593 -2.754 1.00 0.00 C ATOM 711 CG ARG A 47 -13.456 5.658 -2.520 1.00 0.00 C ATOM 712 CD ARG A 47 -13.187 6.948 -3.283 1.00 0.00 C ATOM 713 NE ARG A 47 -14.353 7.842 -3.200 1.00 0.00 N ATOM 714 CZ ARG A 47 -14.405 9.149 -3.469 1.00 0.00 C ATOM 715 NH1 ARG A 47 -13.320 9.816 -3.867 1.00 0.00 N1+ ATOM 716 NH2 ARG A 47 -15.561 9.775 -3.324 1.00 0.00 N ATOM 0 H ARG A 47 -11.835 3.792 -0.265 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.808 3.070 -2.307 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -11.442 4.944 -2.370 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -12.276 4.437 -3.826 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -14.430 5.266 -2.814 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -13.510 5.879 -1.454 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -12.309 7.445 -2.872 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -12.966 6.722 -4.326 1.00 0.00 H new ATOM 0 HE ARG A 47 -15.228 7.411 -2.901 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -12.431 9.328 -3.971 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -13.380 10.814 -4.068 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -16.385 9.260 -3.014 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -15.629 10.773 -3.523 1.00 0.00 H new ATOM 730 N GLY A 48 -11.495 1.223 -1.815 1.00 0.00 N ATOM 731 CA GLY A 48 -10.893 -0.016 -2.263 1.00 0.00 C ATOM 732 C GLY A 48 -9.460 0.101 -2.734 1.00 0.00 C ATOM 733 O GLY A 48 -8.991 -0.751 -3.487 1.00 0.00 O ATOM 0 H GLY A 48 -11.499 1.355 -0.804 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.933 -0.737 -1.447 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.495 -0.421 -3.077 1.00 0.00 H new ATOM 737 N PHE A 49 -8.758 1.130 -2.316 1.00 0.00 N ATOM 738 CA PHE A 49 -7.353 1.258 -2.657 1.00 0.00 C ATOM 739 C PHE A 49 -6.680 2.189 -1.673 1.00 0.00 C ATOM 740 O PHE A 49 -7.369 2.915 -0.949 1.00 0.00 O ATOM 741 CB PHE A 49 -7.141 1.714 -4.124 1.00 0.00 C ATOM 742 CG PHE A 49 -7.529 3.116 -4.456 1.00 0.00 C ATOM 743 CD1 PHE A 49 -8.854 3.481 -4.616 1.00 0.00 C ATOM 744 CD2 PHE A 49 -6.551 4.064 -4.621 1.00 0.00 C ATOM 745 CE1 PHE A 49 -9.192 4.780 -4.936 1.00 0.00 C ATOM 746 CE2 PHE A 49 -6.874 5.367 -4.943 1.00 0.00 C ATOM 747 CZ PHE A 49 -8.198 5.727 -5.102 1.00 0.00 C ATOM 0 H PHE A 49 -9.130 1.887 -1.743 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.890 0.274 -2.585 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -6.087 1.586 -4.370 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -7.704 1.043 -4.773 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -9.631 2.742 -4.489 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.514 3.787 -4.497 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -10.229 5.056 -5.056 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.094 6.103 -5.070 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.456 6.745 -5.355 1.00 0.00 H new ATOM 757 N GLY A 50 -5.371 2.145 -1.607 1.00 0.00 N ATOM 758 CA GLY A 50 -4.651 2.980 -0.689 1.00 0.00 C ATOM 759 C GLY A 50 -3.174 3.026 -0.990 1.00 0.00 C ATOM 760 O GLY A 50 -2.685 2.305 -1.869 1.00 0.00 O ATOM 0 H GLY A 50 -4.786 1.537 -2.181 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.058 3.991 -0.726 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.801 2.613 0.326 1.00 0.00 H new ATOM 764 N PHE A 51 -2.470 3.861 -0.271 1.00 0.00 N ATOM 765 CA PHE A 51 -1.036 4.009 -0.439 1.00 0.00 C ATOM 766 C PHE A 51 -0.292 3.461 0.759 1.00 0.00 C ATOM 767 O PHE A 51 -0.790 3.516 1.893 1.00 0.00 O ATOM 768 CB PHE A 51 -0.637 5.477 -0.658 1.00 0.00 C ATOM 769 CG PHE A 51 -1.085 6.068 -1.965 1.00 0.00 C ATOM 770 CD1 PHE A 51 -0.305 5.928 -3.101 1.00 0.00 C ATOM 771 CD2 PHE A 51 -2.270 6.776 -2.056 1.00 0.00 C ATOM 772 CE1 PHE A 51 -0.699 6.479 -4.302 1.00 0.00 C ATOM 773 CE2 PHE A 51 -2.670 7.332 -3.255 1.00 0.00 C ATOM 774 CZ PHE A 51 -1.883 7.185 -4.380 1.00 0.00 C ATOM 0 H PHE A 51 -2.869 4.461 0.450 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.761 3.439 -1.327 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.049 6.075 0.155 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.448 5.557 -0.593 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.624 5.380 -3.045 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.889 6.895 -1.179 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.082 6.359 -5.180 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.598 7.882 -3.313 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.193 7.621 -5.318 1.00 0.00 H new ATOM 784 N VAL A 52 0.874 2.914 0.501 1.00 0.00 N ATOM 785 CA VAL A 52 1.754 2.379 1.529 1.00 0.00 C ATOM 786 C VAL A 52 3.140 2.959 1.304 1.00 0.00 C ATOM 787 O VAL A 52 3.710 2.774 0.240 1.00 0.00 O ATOM 788 CB VAL A 52 1.870 0.830 1.442 1.00 0.00 C ATOM 789 CG1 VAL A 52 2.685 0.279 2.597 1.00 0.00 C ATOM 790 CG2 VAL A 52 0.513 0.171 1.390 1.00 0.00 C ATOM 0 H VAL A 52 1.249 2.824 -0.443 1.00 0.00 H new ATOM 0 HA VAL A 52 1.345 2.643 2.504 1.00 0.00 H new ATOM 0 HB VAL A 52 2.389 0.597 0.512 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.750 -0.806 2.512 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.688 0.706 2.571 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.204 0.540 3.539 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.636 -0.910 1.330 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.049 0.423 2.290 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.030 0.524 0.513 1.00 0.00 H new ATOM 800 N THR A 53 3.648 3.687 2.240 1.00 0.00 N ATOM 801 CA THR A 53 4.955 4.253 2.114 1.00 0.00 C ATOM 802 C THR A 53 6.009 3.473 2.883 1.00 0.00 C ATOM 803 O THR A 53 5.903 3.271 4.093 1.00 0.00 O ATOM 804 CB THR A 53 4.934 5.700 2.554 1.00 0.00 C ATOM 805 OG1 THR A 53 4.036 6.396 1.714 1.00 0.00 O ATOM 806 CG2 THR A 53 6.305 6.328 2.464 1.00 0.00 C ATOM 0 H THR A 53 3.172 3.908 3.115 1.00 0.00 H new ATOM 0 HA THR A 53 5.234 4.196 1.062 1.00 0.00 H new ATOM 0 HB THR A 53 4.619 5.753 3.596 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.969 7.328 2.008 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.251 7.367 2.788 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.998 5.783 3.106 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.657 6.287 1.433 1.00 0.00 H new ATOM 814 N PHE A 54 7.011 3.060 2.162 1.00 0.00 N ATOM 815 CA PHE A 54 8.128 2.331 2.680 1.00 0.00 C ATOM 816 C PHE A 54 9.293 3.251 2.914 1.00 0.00 C ATOM 817 O PHE A 54 9.420 4.294 2.255 1.00 0.00 O ATOM 818 CB PHE A 54 8.546 1.268 1.685 1.00 0.00 C ATOM 819 CG PHE A 54 7.549 0.172 1.529 1.00 0.00 C ATOM 820 CD1 PHE A 54 7.593 -0.939 2.347 1.00 0.00 C ATOM 821 CD2 PHE A 54 6.556 0.259 0.570 1.00 0.00 C ATOM 822 CE1 PHE A 54 6.667 -1.943 2.211 1.00 0.00 C ATOM 823 CE2 PHE A 54 5.630 -0.742 0.429 1.00 0.00 C ATOM 824 CZ PHE A 54 5.684 -1.841 1.248 1.00 0.00 C ATOM 0 H PHE A 54 7.073 3.230 1.158 1.00 0.00 H new ATOM 0 HA PHE A 54 7.832 1.872 3.623 1.00 0.00 H new ATOM 0 HB2 PHE A 54 8.714 1.736 0.715 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.497 0.840 2.001 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.363 -1.019 3.100 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.510 1.124 -0.074 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.708 -2.809 2.855 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.860 -0.666 -0.325 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.954 -2.630 1.139 1.00 0.00 H new ATOM 834 N LYS A 55 10.134 2.874 3.847 1.00 0.00 N ATOM 835 CA LYS A 55 11.320 3.638 4.144 1.00 0.00 C ATOM 836 C LYS A 55 12.419 3.316 3.138 1.00 0.00 C ATOM 837 O LYS A 55 13.166 4.185 2.718 1.00 0.00 O ATOM 838 CB LYS A 55 11.817 3.326 5.561 1.00 0.00 C ATOM 839 CG LYS A 55 12.880 4.298 6.053 1.00 0.00 C ATOM 840 CD LYS A 55 13.384 3.975 7.458 1.00 0.00 C ATOM 841 CE LYS A 55 14.529 2.949 7.485 1.00 0.00 C ATOM 842 NZ LYS A 55 14.162 1.573 7.064 1.00 0.00 N1+ ATOM 0 H LYS A 55 10.017 2.036 4.417 1.00 0.00 H new ATOM 0 HA LYS A 55 11.071 4.697 4.079 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.971 3.345 6.248 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.222 2.314 5.582 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.722 4.288 5.360 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.472 5.309 6.043 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.722 4.896 7.933 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.554 3.595 8.053 1.00 0.00 H new ATOM 0 HE2 LYS A 55 15.330 3.307 6.838 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.932 2.906 8.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.640 0.883 7.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.132 1.450 7.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.456 1.422 6.078 1.00 0.00 H new ATOM 856 N ASP A 56 12.482 2.071 2.734 1.00 0.00 N ATOM 857 CA ASP A 56 13.549 1.624 1.871 1.00 0.00 C ATOM 858 C ASP A 56 13.104 1.437 0.474 1.00 0.00 C ATOM 859 O ASP A 56 11.962 1.038 0.201 1.00 0.00 O ATOM 860 CB ASP A 56 14.201 0.343 2.371 1.00 0.00 C ATOM 861 CG ASP A 56 14.930 0.543 3.655 1.00 0.00 C ATOM 862 OD1 ASP A 56 14.264 0.627 4.698 1.00 0.00 O1- ATOM 863 OD2 ASP A 56 16.155 0.649 3.627 1.00 0.00 O ATOM 0 H ASP A 56 11.808 1.349 2.988 1.00 0.00 H new ATOM 0 HA ASP A 56 14.291 2.422 1.894 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.437 -0.423 2.505 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.894 -0.028 1.616 1.00 0.00 H new ATOM 868 N GLU A 57 14.031 1.673 -0.401 1.00 0.00 N ATOM 869 CA GLU A 57 13.844 1.596 -1.818 1.00 0.00 C ATOM 870 C GLU A 57 13.594 0.160 -2.228 1.00 0.00 C ATOM 871 O GLU A 57 12.663 -0.138 -2.988 1.00 0.00 O ATOM 872 CB GLU A 57 15.097 2.157 -2.459 1.00 0.00 C ATOM 873 CG GLU A 57 15.066 2.325 -3.947 1.00 0.00 C ATOM 874 CD GLU A 57 16.250 3.139 -4.390 1.00 0.00 C ATOM 875 OE1 GLU A 57 16.147 4.394 -4.369 1.00 0.00 O1- ATOM 876 OE2 GLU A 57 17.283 2.551 -4.697 1.00 0.00 O ATOM 0 H GLU A 57 14.980 1.936 -0.137 1.00 0.00 H new ATOM 0 HA GLU A 57 12.976 2.170 -2.142 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.305 3.128 -2.010 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.932 1.503 -2.206 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.081 1.350 -4.433 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.141 2.817 -4.248 1.00 0.00 H new ATOM 883 N LYS A 58 14.389 -0.744 -1.672 1.00 0.00 N ATOM 884 CA LYS A 58 14.242 -2.124 -1.976 1.00 0.00 C ATOM 885 C LYS A 58 12.982 -2.677 -1.345 1.00 0.00 C ATOM 886 O LYS A 58 12.262 -3.405 -1.988 1.00 0.00 O ATOM 887 CB LYS A 58 15.464 -2.941 -1.540 1.00 0.00 C ATOM 888 CG LYS A 58 15.670 -3.106 -0.028 1.00 0.00 C ATOM 889 CD LYS A 58 16.795 -4.102 0.295 1.00 0.00 C ATOM 890 CE LYS A 58 16.498 -5.527 -0.227 1.00 0.00 C ATOM 891 NZ LYS A 58 15.279 -6.125 0.372 1.00 0.00 N1+ ATOM 0 H LYS A 58 15.135 -0.527 -1.011 1.00 0.00 H new ATOM 0 HA LYS A 58 14.161 -2.211 -3.060 1.00 0.00 H new ATOM 0 HB2 LYS A 58 15.388 -3.933 -1.985 1.00 0.00 H new ATOM 0 HB3 LYS A 58 16.355 -2.472 -1.957 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.905 -2.138 0.414 1.00 0.00 H new ATOM 0 HG3 LYS A 58 14.741 -3.447 0.429 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.727 -3.746 -0.143 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.944 -4.138 1.374 1.00 0.00 H new ATOM 0 HE2 LYS A 58 16.384 -5.494 -1.311 1.00 0.00 H new ATOM 0 HE3 LYS A 58 17.352 -6.170 -0.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 14.959 -6.922 -0.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 15.495 -6.466 1.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 14.528 -5.407 0.420 1.00 0.00 H new ATOM 905 N ALA A 59 12.705 -2.247 -0.099 1.00 0.00 N ATOM 906 CA ALA A 59 11.565 -2.750 0.709 1.00 0.00 C ATOM 907 C ALA A 59 10.255 -2.601 -0.024 1.00 0.00 C ATOM 908 O ALA A 59 9.377 -3.454 0.072 1.00 0.00 O ATOM 909 CB ALA A 59 11.500 -2.043 2.056 1.00 0.00 C ATOM 0 H ALA A 59 13.263 -1.541 0.381 1.00 0.00 H new ATOM 0 HA ALA A 59 11.734 -3.813 0.880 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.657 -2.429 2.629 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.424 -2.221 2.606 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.372 -0.972 1.899 1.00 0.00 H new ATOM 915 N MET A 60 10.141 -1.519 -0.768 1.00 0.00 N ATOM 916 CA MET A 60 8.976 -1.272 -1.583 1.00 0.00 C ATOM 917 C MET A 60 8.831 -2.379 -2.625 1.00 0.00 C ATOM 918 O MET A 60 7.774 -2.961 -2.783 1.00 0.00 O ATOM 919 CB MET A 60 9.117 0.067 -2.288 1.00 0.00 C ATOM 920 CG MET A 60 7.947 0.414 -3.195 1.00 0.00 C ATOM 921 SD MET A 60 8.269 1.846 -4.240 1.00 0.00 S ATOM 922 CE MET A 60 9.737 1.276 -5.110 1.00 0.00 C ATOM 0 H MET A 60 10.853 -0.790 -0.822 1.00 0.00 H new ATOM 0 HA MET A 60 8.092 -1.256 -0.945 1.00 0.00 H new ATOM 0 HB2 MET A 60 9.228 0.851 -1.539 1.00 0.00 H new ATOM 0 HB3 MET A 60 10.033 0.060 -2.879 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.716 -0.445 -3.825 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.065 0.608 -2.584 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.867 1.856 -6.024 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.611 1.404 -4.471 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.624 0.222 -5.363 1.00 0.00 H new ATOM 932 N ARG A 61 9.921 -2.694 -3.290 1.00 0.00 N ATOM 933 CA ARG A 61 9.920 -3.701 -4.332 1.00 0.00 C ATOM 934 C ARG A 61 9.789 -5.106 -3.789 1.00 0.00 C ATOM 935 O ARG A 61 9.121 -5.924 -4.403 1.00 0.00 O ATOM 936 CB ARG A 61 11.109 -3.558 -5.283 1.00 0.00 C ATOM 937 CG ARG A 61 10.932 -2.460 -6.325 1.00 0.00 C ATOM 938 CD ARG A 61 9.781 -2.806 -7.264 1.00 0.00 C ATOM 939 NE ARG A 61 9.579 -1.821 -8.324 1.00 0.00 N ATOM 940 CZ ARG A 61 9.038 -2.100 -9.510 1.00 0.00 C ATOM 941 NH1 ARG A 61 8.529 -3.319 -9.761 1.00 0.00 N1+ ATOM 942 NH2 ARG A 61 8.956 -1.133 -10.424 1.00 0.00 N ATOM 0 H ARG A 61 10.830 -2.262 -3.126 1.00 0.00 H new ATOM 0 HA ARG A 61 9.023 -3.518 -4.924 1.00 0.00 H new ATOM 0 HB2 ARG A 61 12.006 -3.352 -4.700 1.00 0.00 H new ATOM 0 HB3 ARG A 61 11.271 -4.508 -5.793 1.00 0.00 H new ATOM 0 HG2 ARG A 61 10.735 -1.508 -5.831 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.853 -2.338 -6.896 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.970 -3.780 -7.715 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.863 -2.897 -6.683 1.00 0.00 H new ATOM 0 HE ARG A 61 9.870 -0.860 -8.145 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.555 -4.041 -9.041 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.117 -3.522 -10.672 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.304 -0.198 -10.210 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.545 -1.328 -11.337 1.00 0.00 H new ATOM 956 N ASP A 62 10.382 -5.374 -2.615 1.00 0.00 N ATOM 957 CA ASP A 62 10.246 -6.701 -1.963 1.00 0.00 C ATOM 958 C ASP A 62 8.764 -6.978 -1.745 1.00 0.00 C ATOM 959 O ASP A 62 8.286 -8.106 -1.878 1.00 0.00 O ATOM 960 CB ASP A 62 10.943 -6.769 -0.572 1.00 0.00 C ATOM 961 CG ASP A 62 12.445 -6.519 -0.546 1.00 0.00 C ATOM 962 OD1 ASP A 62 13.252 -7.422 -0.866 1.00 0.00 O1- ATOM 963 OD2 ASP A 62 12.871 -5.419 -0.131 1.00 0.00 O ATOM 0 H ASP A 62 10.954 -4.706 -2.098 1.00 0.00 H new ATOM 0 HA ASP A 62 10.721 -7.433 -2.617 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.466 -6.041 0.084 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.755 -7.754 -0.145 1.00 0.00 H new ATOM 968 N ALA A 63 8.043 -5.910 -1.456 1.00 0.00 N ATOM 969 CA ALA A 63 6.635 -5.958 -1.200 1.00 0.00 C ATOM 970 C ALA A 63 5.853 -6.138 -2.488 1.00 0.00 C ATOM 971 O ALA A 63 5.001 -7.009 -2.587 1.00 0.00 O ATOM 972 CB ALA A 63 6.217 -4.675 -0.536 1.00 0.00 C ATOM 0 H ALA A 63 8.438 -4.972 -1.394 1.00 0.00 H new ATOM 0 HA ALA A 63 6.425 -6.808 -0.551 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.146 -4.701 -0.336 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.758 -4.558 0.403 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.444 -3.835 -1.193 1.00 0.00 H new ATOM 978 N ILE A 64 6.157 -5.311 -3.471 1.00 0.00 N ATOM 979 CA ILE A 64 5.440 -5.301 -4.744 1.00 0.00 C ATOM 980 C ILE A 64 5.531 -6.634 -5.467 1.00 0.00 C ATOM 981 O ILE A 64 4.504 -7.230 -5.789 1.00 0.00 O ATOM 982 CB ILE A 64 5.941 -4.163 -5.672 1.00 0.00 C ATOM 983 CG1 ILE A 64 5.722 -2.816 -4.998 1.00 0.00 C ATOM 984 CG2 ILE A 64 5.209 -4.192 -7.022 1.00 0.00 C ATOM 985 CD1 ILE A 64 6.419 -1.681 -5.679 1.00 0.00 C ATOM 0 H ILE A 64 6.909 -4.624 -3.415 1.00 0.00 H new ATOM 0 HA ILE A 64 4.393 -5.120 -4.501 1.00 0.00 H new ATOM 0 HB ILE A 64 7.005 -4.313 -5.855 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.653 -2.606 -4.965 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.068 -2.876 -3.966 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.579 -3.384 -7.654 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.389 -5.148 -7.513 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.139 -4.064 -6.859 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.216 -0.755 -5.142 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.493 -1.867 -5.689 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.056 -1.593 -6.703 1.00 0.00 H new ATOM 997 N GLU A 65 6.742 -7.131 -5.651 1.00 0.00 N ATOM 998 CA GLU A 65 6.956 -8.325 -6.435 1.00 0.00 C ATOM 999 C GLU A 65 6.407 -9.581 -5.721 1.00 0.00 C ATOM 1000 O GLU A 65 6.223 -10.626 -6.342 1.00 0.00 O ATOM 1001 CB GLU A 65 8.450 -8.508 -6.740 1.00 0.00 C ATOM 1002 CG GLU A 65 9.216 -7.251 -7.200 1.00 0.00 C ATOM 1003 CD GLU A 65 8.575 -6.471 -8.335 1.00 0.00 C ATOM 1004 OE1 GLU A 65 8.554 -6.952 -9.469 1.00 0.00 O ATOM 1005 OE2 GLU A 65 8.150 -5.314 -8.092 1.00 0.00 O1- ATOM 0 H GLU A 65 7.592 -6.721 -5.265 1.00 0.00 H new ATOM 0 HA GLU A 65 6.411 -8.203 -7.371 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.936 -8.896 -5.845 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.550 -9.270 -7.512 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.332 -6.585 -6.345 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.218 -7.550 -7.509 1.00 0.00 H new ATOM 1012 N GLY A 66 6.157 -9.471 -4.423 1.00 0.00 N ATOM 1013 CA GLY A 66 5.664 -10.606 -3.671 1.00 0.00 C ATOM 1014 C GLY A 66 4.170 -10.546 -3.377 1.00 0.00 C ATOM 1015 O GLY A 66 3.476 -11.550 -3.465 1.00 0.00 O ATOM 0 H GLY A 66 6.287 -8.618 -3.879 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.879 -11.519 -4.226 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.208 -10.670 -2.729 1.00 0.00 H new ATOM 1019 N MET A 67 3.674 -9.370 -3.051 1.00 0.00 N ATOM 1020 CA MET A 67 2.274 -9.214 -2.645 1.00 0.00 C ATOM 1021 C MET A 67 1.336 -8.866 -3.778 1.00 0.00 C ATOM 1022 O MET A 67 0.114 -8.805 -3.574 1.00 0.00 O ATOM 1023 CB MET A 67 2.121 -8.190 -1.511 1.00 0.00 C ATOM 1024 CG MET A 67 2.150 -8.782 -0.109 1.00 0.00 C ATOM 1025 SD MET A 67 3.631 -9.721 0.267 1.00 0.00 S ATOM 1026 CE MET A 67 3.212 -10.343 1.895 1.00 0.00 C ATOM 0 H MET A 67 4.211 -8.503 -3.056 1.00 0.00 H new ATOM 0 HA MET A 67 1.981 -10.200 -2.286 1.00 0.00 H new ATOM 0 HB2 MET A 67 2.920 -7.453 -1.596 1.00 0.00 H new ATOM 0 HB3 MET A 67 1.180 -7.657 -1.646 1.00 0.00 H new ATOM 0 HG2 MET A 67 2.053 -7.974 0.616 1.00 0.00 H new ATOM 0 HG3 MET A 67 1.282 -9.429 0.017 1.00 0.00 H new ATOM 0 HE1 MET A 67 4.033 -10.951 2.275 1.00 0.00 H new ATOM 0 HE2 MET A 67 3.038 -9.506 2.571 1.00 0.00 H new ATOM 0 HE3 MET A 67 2.310 -10.951 1.831 1.00 0.00 H new ATOM 1036 N ASN A 68 1.860 -8.621 -4.953 1.00 0.00 N ATOM 1037 CA ASN A 68 0.993 -8.275 -6.067 1.00 0.00 C ATOM 1038 C ASN A 68 0.244 -9.510 -6.544 1.00 0.00 C ATOM 1039 O ASN A 68 0.849 -10.462 -7.022 1.00 0.00 O ATOM 1040 CB ASN A 68 1.793 -7.678 -7.228 1.00 0.00 C ATOM 1041 CG ASN A 68 0.912 -7.207 -8.373 1.00 0.00 C ATOM 1042 OD1 ASN A 68 -0.222 -6.768 -8.167 1.00 0.00 O ATOM 1043 ND2 ASN A 68 1.422 -7.286 -9.577 1.00 0.00 N ATOM 0 H ASN A 68 2.857 -8.651 -5.167 1.00 0.00 H new ATOM 0 HA ASN A 68 0.282 -7.526 -5.720 1.00 0.00 H new ATOM 0 HB2 ASN A 68 2.384 -6.838 -6.862 1.00 0.00 H new ATOM 0 HB3 ASN A 68 2.496 -8.424 -7.600 1.00 0.00 H new ATOM 0 HD21 ASN A 68 0.877 -6.979 -10.383 1.00 0.00 H new ATOM 0 HD22 ASN A 68 2.364 -7.655 -9.709 1.00 0.00 H new ATOM 1050 N GLY A 69 -1.065 -9.490 -6.409 1.00 0.00 N ATOM 1051 CA GLY A 69 -1.863 -10.595 -6.861 1.00 0.00 C ATOM 1052 C GLY A 69 -2.369 -11.475 -5.735 1.00 0.00 C ATOM 1053 O GLY A 69 -3.210 -12.347 -5.970 1.00 0.00 O ATOM 0 H GLY A 69 -1.591 -8.722 -5.991 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.715 -10.212 -7.423 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.274 -11.201 -7.549 1.00 0.00 H new ATOM 1057 N GLN A 70 -1.887 -11.256 -4.512 1.00 0.00 N ATOM 1058 CA GLN A 70 -2.318 -12.100 -3.398 1.00 0.00 C ATOM 1059 C GLN A 70 -3.658 -11.620 -2.835 1.00 0.00 C ATOM 1060 O GLN A 70 -4.229 -10.626 -3.312 1.00 0.00 O ATOM 1061 CB GLN A 70 -1.283 -12.163 -2.258 1.00 0.00 C ATOM 1062 CG GLN A 70 -1.183 -10.899 -1.416 1.00 0.00 C ATOM 1063 CD GLN A 70 -0.377 -11.106 -0.154 1.00 0.00 C ATOM 1064 OE1 GLN A 70 0.544 -11.899 -0.110 1.00 0.00 O ATOM 1065 NE2 GLN A 70 -0.751 -10.422 0.900 1.00 0.00 N ATOM 0 H GLN A 70 -1.218 -10.525 -4.271 1.00 0.00 H new ATOM 0 HA GLN A 70 -2.425 -13.105 -3.807 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.533 -12.999 -1.605 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -0.304 -12.376 -2.687 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -0.726 -10.107 -2.009 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -2.185 -10.562 -1.152 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -1.527 -9.764 0.832 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -0.266 -10.548 1.788 1.00 0.00 H new ATOM 1074 N ASP A 71 -4.129 -12.307 -1.817 1.00 0.00 N ATOM 1075 CA ASP A 71 -5.387 -11.981 -1.174 1.00 0.00 C ATOM 1076 C ASP A 71 -5.144 -11.084 0.023 1.00 0.00 C ATOM 1077 O ASP A 71 -4.084 -11.158 0.676 1.00 0.00 O ATOM 1078 CB ASP A 71 -6.104 -13.259 -0.696 1.00 0.00 C ATOM 1079 CG ASP A 71 -7.477 -12.981 -0.078 1.00 0.00 C ATOM 1080 OD1 ASP A 71 -7.560 -12.640 1.133 1.00 0.00 O ATOM 1081 OD2 ASP A 71 -8.467 -13.089 -0.794 1.00 0.00 O1- ATOM 0 H ASP A 71 -3.650 -13.110 -1.409 1.00 0.00 H new ATOM 0 HA ASP A 71 -6.013 -11.467 -1.904 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.223 -13.939 -1.539 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.478 -13.767 0.038 1.00 0.00 H new ATOM 1086 N LEU A 72 -6.070 -10.214 0.253 1.00 0.00 N ATOM 1087 CA LEU A 72 -6.123 -9.402 1.412 1.00 0.00 C ATOM 1088 C LEU A 72 -7.585 -9.155 1.728 1.00 0.00 C ATOM 1089 O LEU A 72 -8.293 -8.486 0.958 1.00 0.00 O ATOM 1090 CB LEU A 72 -5.361 -8.083 1.219 1.00 0.00 C ATOM 1091 CG LEU A 72 -5.304 -7.140 2.432 1.00 0.00 C ATOM 1092 CD1 LEU A 72 -4.680 -7.835 3.636 1.00 0.00 C ATOM 1093 CD2 LEU A 72 -4.521 -5.887 2.087 1.00 0.00 C ATOM 0 H LEU A 72 -6.842 -10.046 -0.393 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.636 -9.910 2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.339 -8.320 0.922 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.817 -7.544 0.389 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.325 -6.860 2.692 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.652 -7.146 4.480 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.276 -8.709 3.901 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.666 -8.149 3.390 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.488 -5.228 2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.505 -6.160 1.800 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.006 -5.372 1.258 1.00 0.00 H new ATOM 1105 N ASP A 73 -8.034 -9.785 2.804 1.00 0.00 N ATOM 1106 CA ASP A 73 -9.403 -9.667 3.343 1.00 0.00 C ATOM 1107 C ASP A 73 -10.450 -10.285 2.410 1.00 0.00 C ATOM 1108 O ASP A 73 -11.629 -9.897 2.440 1.00 0.00 O ATOM 1109 CB ASP A 73 -9.785 -8.198 3.652 1.00 0.00 C ATOM 1110 CG ASP A 73 -8.915 -7.531 4.691 1.00 0.00 C ATOM 1111 OD1 ASP A 73 -9.037 -7.866 5.876 1.00 0.00 O ATOM 1112 OD2 ASP A 73 -8.122 -6.625 4.313 1.00 0.00 O1- ATOM 0 H ASP A 73 -7.446 -10.414 3.351 1.00 0.00 H new ATOM 0 HA ASP A 73 -9.400 -10.228 4.277 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.734 -7.621 2.729 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.821 -8.168 3.990 1.00 0.00 H new ATOM 1117 N GLY A 74 -10.050 -11.280 1.622 1.00 0.00 N ATOM 1118 CA GLY A 74 -10.994 -11.940 0.733 1.00 0.00 C ATOM 1119 C GLY A 74 -11.062 -11.268 -0.619 1.00 0.00 C ATOM 1120 O GLY A 74 -12.052 -11.394 -1.356 1.00 0.00 O ATOM 0 H GLY A 74 -9.096 -11.640 1.582 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.704 -12.983 0.605 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.984 -11.938 1.189 1.00 0.00 H new ATOM 1124 N ARG A 75 -10.047 -10.517 -0.919 1.00 0.00 N ATOM 1125 CA ARG A 75 -9.936 -9.823 -2.162 1.00 0.00 C ATOM 1126 C ARG A 75 -8.505 -9.895 -2.688 1.00 0.00 C ATOM 1127 O ARG A 75 -7.562 -9.778 -1.932 1.00 0.00 O ATOM 1128 CB ARG A 75 -10.374 -8.365 -1.985 1.00 0.00 C ATOM 1129 CG ARG A 75 -10.038 -7.471 -3.154 1.00 0.00 C ATOM 1130 CD ARG A 75 -10.767 -7.828 -4.428 1.00 0.00 C ATOM 1131 NE ARG A 75 -10.079 -7.228 -5.578 1.00 0.00 N ATOM 1132 CZ ARG A 75 -10.621 -6.880 -6.741 1.00 0.00 C ATOM 1133 NH1 ARG A 75 -11.941 -6.991 -6.938 1.00 0.00 N1+ ATOM 1134 NH2 ARG A 75 -9.831 -6.416 -7.715 1.00 0.00 N ATOM 0 H ARG A 75 -9.257 -10.367 -0.292 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.590 -10.299 -2.893 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.451 -8.339 -1.820 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.904 -7.963 -1.088 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.273 -6.440 -2.889 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.964 -7.516 -3.337 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -10.810 -8.911 -4.542 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.796 -7.472 -4.381 1.00 0.00 H new ATOM 0 HE ARG A 75 -9.078 -7.060 -5.473 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.540 -7.345 -6.192 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.347 -6.721 -7.834 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.826 -6.333 -7.561 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.233 -6.145 -8.612 1.00 0.00 H new ATOM 1148 N ASN A 76 -8.363 -10.048 -3.985 1.00 0.00 N ATOM 1149 CA ASN A 76 -7.058 -10.054 -4.612 1.00 0.00 C ATOM 1150 C ASN A 76 -6.628 -8.633 -4.897 1.00 0.00 C ATOM 1151 O ASN A 76 -7.334 -7.853 -5.572 1.00 0.00 O ATOM 1152 CB ASN A 76 -7.002 -10.930 -5.877 1.00 0.00 C ATOM 1153 CG ASN A 76 -7.916 -10.500 -7.011 1.00 0.00 C ATOM 1154 OD1 ASN A 76 -9.024 -9.988 -6.812 1.00 0.00 O ATOM 1155 ND2 ASN A 76 -7.443 -10.689 -8.204 1.00 0.00 N ATOM 0 H ASN A 76 -9.142 -10.171 -4.632 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.355 -10.508 -3.913 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -5.976 -10.941 -6.245 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -7.253 -11.954 -5.600 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -7.990 -10.412 -9.019 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -6.524 -11.115 -8.327 1.00 0.00 H new ATOM 1162 N ILE A 77 -5.504 -8.292 -4.364 1.00 0.00 N ATOM 1163 CA ILE A 77 -4.998 -6.948 -4.410 1.00 0.00 C ATOM 1164 C ILE A 77 -3.953 -6.751 -5.501 1.00 0.00 C ATOM 1165 O ILE A 77 -3.179 -7.658 -5.818 1.00 0.00 O ATOM 1166 CB ILE A 77 -4.405 -6.540 -3.041 1.00 0.00 C ATOM 1167 CG1 ILE A 77 -3.350 -7.564 -2.590 1.00 0.00 C ATOM 1168 CG2 ILE A 77 -5.523 -6.458 -2.013 1.00 0.00 C ATOM 1169 CD1 ILE A 77 -2.508 -7.122 -1.412 1.00 0.00 C ATOM 0 H ILE A 77 -4.894 -8.946 -3.873 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.846 -6.306 -4.648 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.924 -5.566 -3.134 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.854 -8.495 -2.331 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.691 -7.781 -3.430 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -5.108 -6.171 -1.047 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.255 -5.715 -2.330 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -6.008 -7.430 -1.925 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.792 -7.905 -1.163 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.972 -6.209 -1.670 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -3.153 -6.934 -0.554 1.00 0.00 H new ATOM 1181 N THR A 78 -3.949 -5.579 -6.078 1.00 0.00 N ATOM 1182 CA THR A 78 -3.001 -5.219 -7.089 1.00 0.00 C ATOM 1183 C THR A 78 -2.019 -4.198 -6.498 1.00 0.00 C ATOM 1184 O THR A 78 -2.406 -3.081 -6.124 1.00 0.00 O ATOM 1185 CB THR A 78 -3.738 -4.619 -8.296 1.00 0.00 C ATOM 1186 OG1 THR A 78 -4.786 -5.525 -8.678 1.00 0.00 O ATOM 1187 CG2 THR A 78 -2.789 -4.423 -9.475 1.00 0.00 C ATOM 0 H THR A 78 -4.615 -4.840 -5.853 1.00 0.00 H new ATOM 0 HA THR A 78 -2.452 -6.099 -7.423 1.00 0.00 H new ATOM 0 HB THR A 78 -4.144 -3.646 -8.020 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.271 -5.159 -9.447 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.336 -3.997 -10.316 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.984 -3.747 -9.186 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.367 -5.385 -9.766 1.00 0.00 H new ATOM 1195 N VAL A 79 -0.777 -4.586 -6.415 1.00 0.00 N ATOM 1196 CA VAL A 79 0.257 -3.788 -5.787 1.00 0.00 C ATOM 1197 C VAL A 79 1.217 -3.272 -6.857 1.00 0.00 C ATOM 1198 O VAL A 79 1.678 -4.042 -7.691 1.00 0.00 O ATOM 1199 CB VAL A 79 1.048 -4.654 -4.753 1.00 0.00 C ATOM 1200 CG1 VAL A 79 2.125 -3.850 -4.058 1.00 0.00 C ATOM 1201 CG2 VAL A 79 0.112 -5.274 -3.726 1.00 0.00 C ATOM 0 H VAL A 79 -0.443 -5.476 -6.784 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.205 -2.947 -5.269 1.00 0.00 H new ATOM 0 HB VAL A 79 1.532 -5.455 -5.312 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.652 -4.486 -3.347 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.830 -3.470 -4.798 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.670 -3.014 -3.528 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.690 -5.870 -3.020 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.413 -4.484 -3.189 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.612 -5.912 -4.232 1.00 0.00 H new ATOM 1211 N ASN A 80 1.484 -1.979 -6.862 1.00 0.00 N ATOM 1212 CA ASN A 80 2.417 -1.412 -7.830 1.00 0.00 C ATOM 1213 C ASN A 80 3.253 -0.298 -7.211 1.00 0.00 C ATOM 1214 O ASN A 80 2.993 0.148 -6.082 1.00 0.00 O ATOM 1215 CB ASN A 80 1.711 -0.903 -9.110 1.00 0.00 C ATOM 1216 CG ASN A 80 0.800 0.293 -8.883 1.00 0.00 C ATOM 1217 OD1 ASN A 80 1.233 1.431 -8.938 1.00 0.00 O ATOM 1218 ND2 ASN A 80 -0.460 0.045 -8.661 1.00 0.00 N ATOM 0 H ASN A 80 1.075 -1.304 -6.216 1.00 0.00 H new ATOM 0 HA ASN A 80 3.080 -2.226 -8.124 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.468 -0.635 -9.847 1.00 0.00 H new ATOM 0 HB3 ASN A 80 1.125 -1.717 -9.537 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -1.115 0.815 -8.527 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.791 -0.919 -8.621 1.00 0.00 H new ATOM 1225 N GLU A 81 4.229 0.158 -7.959 1.00 0.00 N ATOM 1226 CA GLU A 81 5.157 1.149 -7.543 1.00 0.00 C ATOM 1227 C GLU A 81 4.622 2.498 -7.938 1.00 0.00 C ATOM 1228 O GLU A 81 4.555 2.835 -9.129 1.00 0.00 O ATOM 1229 CB GLU A 81 6.468 0.890 -8.262 1.00 0.00 C ATOM 1230 CG GLU A 81 7.570 1.863 -7.976 1.00 0.00 C ATOM 1231 CD GLU A 81 8.750 1.622 -8.873 1.00 0.00 C ATOM 1232 OE1 GLU A 81 8.728 2.119 -10.025 1.00 0.00 O ATOM 1233 OE2 GLU A 81 9.675 0.892 -8.473 1.00 0.00 O1- ATOM 0 H GLU A 81 4.394 -0.173 -8.910 1.00 0.00 H new ATOM 0 HA GLU A 81 5.309 1.119 -6.464 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.814 -0.110 -7.999 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.278 0.890 -9.335 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.206 2.881 -8.115 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.877 1.774 -6.934 1.00 0.00 H new ATOM 1240 N ALA A 82 4.257 3.257 -6.971 1.00 0.00 N ATOM 1241 CA ALA A 82 3.711 4.550 -7.218 1.00 0.00 C ATOM 1242 C ALA A 82 4.815 5.564 -7.222 1.00 0.00 C ATOM 1243 O ALA A 82 4.871 6.438 -8.088 1.00 0.00 O ATOM 1244 CB ALA A 82 2.704 4.888 -6.127 1.00 0.00 C ATOM 0 H ALA A 82 4.326 3.005 -5.985 1.00 0.00 H new ATOM 0 HA ALA A 82 3.211 4.560 -8.186 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.284 5.877 -6.313 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.904 4.148 -6.129 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.202 4.882 -5.157 1.00 0.00 H new ATOM 1250 N GLN A 83 5.746 5.347 -6.303 1.00 0.00 N ATOM 1251 CA GLN A 83 6.799 6.318 -5.909 1.00 0.00 C ATOM 1252 C GLN A 83 6.224 7.739 -5.727 1.00 0.00 C ATOM 1253 O GLN A 83 5.003 7.953 -5.681 1.00 0.00 O ATOM 1254 CB GLN A 83 7.977 6.375 -6.901 1.00 0.00 C ATOM 1255 CG GLN A 83 8.751 5.090 -7.073 1.00 0.00 C ATOM 1256 CD GLN A 83 10.021 5.287 -7.888 1.00 0.00 C ATOM 1257 OE1 GLN A 83 10.103 6.179 -8.734 1.00 0.00 O ATOM 1258 NE2 GLN A 83 10.998 4.447 -7.669 1.00 0.00 N ATOM 0 H GLN A 83 5.805 4.469 -5.786 1.00 0.00 H new ATOM 0 HA GLN A 83 7.181 5.952 -4.956 1.00 0.00 H new ATOM 0 HB2 GLN A 83 7.594 6.680 -7.875 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.667 7.152 -6.573 1.00 0.00 H new ATOM 0 HG2 GLN A 83 9.009 4.690 -6.093 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.118 4.350 -7.563 1.00 0.00 H new ATOM 0 HE21 GLN A 83 10.897 3.720 -6.961 1.00 0.00 H new ATOM 0 HE22 GLN A 83 11.862 4.518 -8.206 1.00 0.00 H new ATOM 1267 N SER A 84 7.088 8.676 -5.562 1.00 0.00 N ATOM 1268 CA SER A 84 6.711 10.038 -5.611 1.00 0.00 C ATOM 1269 C SER A 84 7.285 10.587 -6.910 1.00 0.00 C ATOM 1270 O SER A 84 8.412 11.071 -6.966 1.00 0.00 O ATOM 1271 CB SER A 84 7.214 10.781 -4.375 1.00 0.00 C ATOM 1272 OG SER A 84 6.736 10.132 -3.201 1.00 0.00 O ATOM 0 H SER A 84 8.080 8.516 -5.389 1.00 0.00 H new ATOM 0 HA SER A 84 5.629 10.167 -5.601 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.304 10.806 -4.371 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.872 11.816 -4.396 1.00 0.00 H new ATOM 0 HG SER A 84 7.492 9.919 -2.614 1.00 0.00 H new ATOM 1278 N ARG A 85 6.541 10.361 -7.985 1.00 0.00 N ATOM 1279 CA ARG A 85 6.987 10.718 -9.332 1.00 0.00 C ATOM 1280 C ARG A 85 7.081 12.236 -9.476 1.00 0.00 C ATOM 1281 O ARG A 85 6.126 12.947 -9.159 1.00 0.00 O ATOM 1282 CB ARG A 85 6.017 10.160 -10.393 1.00 0.00 C ATOM 1283 CG ARG A 85 5.703 8.659 -10.283 1.00 0.00 C ATOM 1284 CD ARG A 85 6.918 7.747 -10.504 1.00 0.00 C ATOM 1285 NE ARG A 85 6.538 6.327 -10.324 1.00 0.00 N ATOM 1286 CZ ARG A 85 7.312 5.240 -10.548 1.00 0.00 C ATOM 1287 NH1 ARG A 85 8.559 5.365 -10.983 1.00 0.00 N1+ ATOM 1288 NH2 ARG A 85 6.835 4.027 -10.317 1.00 0.00 N ATOM 0 H ARG A 85 5.618 9.929 -7.952 1.00 0.00 H new ATOM 0 HA ARG A 85 7.973 10.280 -9.488 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.081 10.714 -10.330 1.00 0.00 H new ATOM 0 HB3 ARG A 85 6.436 10.354 -11.380 1.00 0.00 H new ATOM 0 HG2 ARG A 85 5.285 8.457 -9.297 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.934 8.405 -11.013 1.00 0.00 H new ATOM 0 HD2 ARG A 85 7.317 7.899 -11.507 1.00 0.00 H new ATOM 0 HD3 ARG A 85 7.710 8.010 -9.803 1.00 0.00 H new ATOM 0 HE ARG A 85 5.589 6.149 -9.995 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.949 6.292 -11.154 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.128 4.534 -11.146 1.00 0.00 H new ATOM 0 HH21 ARG A 85 5.883 3.911 -9.970 1.00 0.00 H new ATOM 0 HH22 ARG A 85 7.419 3.208 -10.486 1.00 0.00 H new TER 1302 ARG A 85