USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=19 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 36 LYS NZ :NH3+ 167:sc= 0.992 (180deg=0.33!) USER MOD Set 1.2: A 39 ASN : amide:sc= 0.0503 K(o=1,f=-1.3) USER MOD Single : A 0 GLY N :NH3+ -177:sc= 0.992 (180deg=0.864) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 5:sc= 1.07 USER MOD Single : A 17 THR OG1 : rot -140:sc= 0.0228 USER MOD Single : A 18 THR OG1 : rot 180:sc=-0.00399 USER MOD Single : A 20 GLN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 60:sc= 1.29 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 36:sc= 0.184 USER MOD Single : A 43 THR OG1 : rot -80:sc=-0.00146 USER MOD Single : A 46 SER OG : rot 180:sc= 0.058 USER MOD Single : A 53 THR OG1 : rot 96:sc= 0.804 USER MOD Single : A 55 LYS NZ :NH3+ -174:sc= -0.419! (180deg=-0.529!) USER MOD Single : A 58 LYS NZ :NH3+ -124:sc= 1.11 (180deg=0.68) USER MOD Single : A 60 MET CE :methyl 158:sc= -0.164 (180deg=-0.991) USER MOD Single : A 67 MET CE :methyl -152:sc= 0 (180deg=-0.823) USER MOD Single : A 68 ASN : amide:sc=-0.00323 K(o=-0.0032,f=-5.2!) USER MOD Single : A 70 GLN : amide:sc= 1 K(o=1,f=-1.1) USER MOD Single : A 76 ASN : amide:sc= 0.943 K(o=0.94,f=-0.092) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.444 K(o=-0.44,f=-2.1) USER MOD Single : A 83 GLN : amide:sc= -0.697 X(o=-0.7,f=-0.2) USER MOD Single : A 84 SER OG : rot 180:sc= 0.0505 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 18.118 -0.663 1.771 1.00 0.00 N ATOM 2 CA GLY A 0 19.299 0.189 1.674 1.00 0.00 C ATOM 3 C GLY A 0 18.916 1.625 1.813 1.00 0.00 C ATOM 4 O GLY A 0 17.731 1.925 1.893 1.00 0.00 O ATOM 0 H1 GLY A 0 18.405 -1.661 1.724 1.00 0.00 H new ATOM 0 H2 GLY A 0 17.634 -0.484 2.674 1.00 0.00 H new ATOM 0 H3 GLY A 0 17.472 -0.451 0.984 1.00 0.00 H new ATOM 0 HA2 GLY A 0 20.015 -0.080 2.451 1.00 0.00 H new ATOM 0 HA3 GLY A 0 19.793 0.029 0.716 1.00 0.00 H new ATOM 10 N MET A 1 19.908 2.504 1.844 1.00 0.00 N ATOM 11 CA MET A 1 19.692 3.941 1.978 1.00 0.00 C ATOM 12 C MET A 1 18.783 4.449 0.879 1.00 0.00 C ATOM 13 O MET A 1 19.019 4.198 -0.309 1.00 0.00 O ATOM 14 CB MET A 1 21.023 4.721 1.965 1.00 0.00 C ATOM 15 CG MET A 1 21.969 4.424 3.134 1.00 0.00 C ATOM 16 SD MET A 1 22.605 2.722 3.145 1.00 0.00 S ATOM 17 CE MET A 1 23.640 2.764 4.610 1.00 0.00 C ATOM 0 H MET A 1 20.891 2.241 1.777 1.00 0.00 H new ATOM 0 HA MET A 1 19.213 4.109 2.943 1.00 0.00 H new ATOM 0 HB2 MET A 1 21.544 4.502 1.033 1.00 0.00 H new ATOM 0 HB3 MET A 1 20.800 5.788 1.962 1.00 0.00 H new ATOM 0 HG2 MET A 1 22.810 5.116 3.094 1.00 0.00 H new ATOM 0 HG3 MET A 1 21.445 4.613 4.071 1.00 0.00 H new ATOM 0 HE1 MET A 1 24.104 1.789 4.756 1.00 0.00 H new ATOM 0 HE2 MET A 1 24.415 3.520 4.486 1.00 0.00 H new ATOM 0 HE3 MET A 1 23.030 3.009 5.480 1.00 0.00 H new ATOM 27 N ALA A 2 17.764 5.140 1.284 1.00 0.00 N ATOM 28 CA ALA A 2 16.753 5.666 0.416 1.00 0.00 C ATOM 29 C ALA A 2 16.044 6.725 1.191 1.00 0.00 C ATOM 30 O ALA A 2 15.080 6.460 1.924 1.00 0.00 O ATOM 31 CB ALA A 2 15.776 4.579 -0.030 1.00 0.00 C ATOM 0 H ALA A 2 17.606 5.363 2.267 1.00 0.00 H new ATOM 0 HA ALA A 2 17.199 6.068 -0.494 1.00 0.00 H new ATOM 0 HB1 ALA A 2 15.023 5.014 -0.687 1.00 0.00 H new ATOM 0 HB2 ALA A 2 16.318 3.800 -0.565 1.00 0.00 H new ATOM 0 HB3 ALA A 2 15.289 4.147 0.844 1.00 0.00 H new ATOM 37 N GLU A 3 16.564 7.904 1.134 1.00 0.00 N ATOM 38 CA GLU A 3 16.035 8.950 1.939 1.00 0.00 C ATOM 39 C GLU A 3 14.997 9.731 1.171 1.00 0.00 C ATOM 40 O GLU A 3 15.250 10.811 0.650 1.00 0.00 O ATOM 41 CB GLU A 3 17.147 9.828 2.532 1.00 0.00 C ATOM 42 CG GLU A 3 18.269 9.012 3.211 1.00 0.00 C ATOM 43 CD GLU A 3 17.731 7.893 4.094 1.00 0.00 C ATOM 44 OE1 GLU A 3 17.101 8.170 5.119 1.00 0.00 O1- ATOM 45 OE2 GLU A 3 17.842 6.698 3.708 1.00 0.00 O ATOM 0 H GLU A 3 17.351 8.166 0.541 1.00 0.00 H new ATOM 0 HA GLU A 3 15.527 8.510 2.797 1.00 0.00 H new ATOM 0 HB2 GLU A 3 17.580 10.439 1.740 1.00 0.00 H new ATOM 0 HB3 GLU A 3 16.712 10.512 3.261 1.00 0.00 H new ATOM 0 HG2 GLU A 3 18.917 8.585 2.445 1.00 0.00 H new ATOM 0 HG3 GLU A 3 18.885 9.680 3.813 1.00 0.00 H new ATOM 52 N VAL A 4 13.861 9.098 1.030 1.00 0.00 N ATOM 53 CA VAL A 4 12.729 9.617 0.332 1.00 0.00 C ATOM 54 C VAL A 4 11.552 8.712 0.695 1.00 0.00 C ATOM 55 O VAL A 4 11.761 7.639 1.281 1.00 0.00 O ATOM 56 CB VAL A 4 12.984 9.625 -1.226 1.00 0.00 C ATOM 57 CG1 VAL A 4 13.127 8.218 -1.794 1.00 0.00 C ATOM 58 CG2 VAL A 4 11.930 10.434 -1.988 1.00 0.00 C ATOM 0 H VAL A 4 13.700 8.168 1.417 1.00 0.00 H new ATOM 0 HA VAL A 4 12.529 10.650 0.615 1.00 0.00 H new ATOM 0 HB VAL A 4 13.939 10.130 -1.373 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.301 8.275 -2.868 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.969 7.717 -1.316 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.214 7.654 -1.604 1.00 0.00 H new ATOM 0 HG21 VAL A 4 12.152 10.407 -3.055 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.944 10.004 -1.812 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.943 11.467 -1.641 1.00 0.00 H new ATOM 68 N GLU A 5 10.367 9.141 0.406 1.00 0.00 N ATOM 69 CA GLU A 5 9.183 8.378 0.675 1.00 0.00 C ATOM 70 C GLU A 5 8.858 7.450 -0.494 1.00 0.00 C ATOM 71 O GLU A 5 8.528 7.907 -1.597 1.00 0.00 O ATOM 72 CB GLU A 5 8.008 9.324 0.971 1.00 0.00 C ATOM 73 CG GLU A 5 7.915 10.528 0.027 1.00 0.00 C ATOM 74 CD GLU A 5 6.631 11.303 0.187 1.00 0.00 C ATOM 75 OE1 GLU A 5 6.136 11.431 1.316 1.00 0.00 O1- ATOM 76 OE2 GLU A 5 6.052 11.712 -0.840 1.00 0.00 O ATOM 0 H GLU A 5 10.187 10.045 -0.031 1.00 0.00 H new ATOM 0 HA GLU A 5 9.358 7.755 1.552 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.078 8.759 0.913 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.097 9.686 1.995 1.00 0.00 H new ATOM 0 HG2 GLU A 5 8.759 11.192 0.210 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.999 10.182 -1.003 1.00 0.00 H new ATOM 83 N TYR A 6 8.965 6.154 -0.288 1.00 0.00 N ATOM 84 CA TYR A 6 8.618 5.255 -1.335 1.00 0.00 C ATOM 85 C TYR A 6 7.209 4.817 -1.230 1.00 0.00 C ATOM 86 O TYR A 6 6.882 3.848 -0.572 1.00 0.00 O ATOM 87 CB TYR A 6 9.581 4.101 -1.497 1.00 0.00 C ATOM 88 CG TYR A 6 10.773 4.479 -2.314 1.00 0.00 C ATOM 89 CD1 TYR A 6 10.595 5.063 -3.560 1.00 0.00 C ATOM 90 CD2 TYR A 6 12.057 4.236 -1.880 1.00 0.00 C ATOM 91 CE1 TYR A 6 11.664 5.394 -4.350 1.00 0.00 C ATOM 92 CE2 TYR A 6 13.136 4.571 -2.665 1.00 0.00 C ATOM 93 CZ TYR A 6 12.933 5.149 -3.901 1.00 0.00 C ATOM 94 OH TYR A 6 14.003 5.461 -4.695 1.00 0.00 O ATOM 0 H TYR A 6 9.283 5.720 0.578 1.00 0.00 H new ATOM 0 HA TYR A 6 8.713 5.821 -2.261 1.00 0.00 H new ATOM 0 HB2 TYR A 6 9.908 3.761 -0.514 1.00 0.00 H new ATOM 0 HB3 TYR A 6 9.068 3.264 -1.970 1.00 0.00 H new ATOM 0 HD1 TYR A 6 9.594 5.260 -3.914 1.00 0.00 H new ATOM 0 HD2 TYR A 6 12.218 3.779 -0.915 1.00 0.00 H new ATOM 0 HE1 TYR A 6 11.506 5.844 -5.319 1.00 0.00 H new ATOM 0 HE2 TYR A 6 14.140 4.382 -2.314 1.00 0.00 H new ATOM 0 HH TYR A 6 14.834 5.227 -4.231 1.00 0.00 H new ATOM 104 N ARG A 7 6.376 5.566 -1.855 1.00 0.00 N ATOM 105 CA ARG A 7 4.980 5.332 -1.820 1.00 0.00 C ATOM 106 C ARG A 7 4.600 4.328 -2.884 1.00 0.00 C ATOM 107 O ARG A 7 5.028 4.428 -4.028 1.00 0.00 O ATOM 108 CB ARG A 7 4.259 6.662 -1.968 1.00 0.00 C ATOM 109 CG ARG A 7 2.742 6.608 -1.780 1.00 0.00 C ATOM 110 CD ARG A 7 2.182 7.996 -1.450 1.00 0.00 C ATOM 111 NE ARG A 7 2.683 8.478 -0.145 1.00 0.00 N ATOM 112 CZ ARG A 7 3.525 9.506 0.053 1.00 0.00 C ATOM 113 NH1 ARG A 7 3.899 10.265 -0.972 1.00 0.00 N1+ ATOM 114 NH2 ARG A 7 3.974 9.778 1.278 1.00 0.00 N ATOM 0 H ARG A 7 6.650 6.373 -2.415 1.00 0.00 H new ATOM 0 HA ARG A 7 4.680 4.898 -0.866 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.673 7.364 -1.244 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.472 7.063 -2.959 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.272 6.228 -2.687 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.495 5.912 -0.978 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.463 8.700 -2.233 1.00 0.00 H new ATOM 0 HD3 ARG A 7 1.093 7.957 -1.433 1.00 0.00 H new ATOM 0 HE ARG A 7 2.358 7.982 0.685 1.00 0.00 H new ATOM 0 HH11 ARG A 7 3.547 10.067 -1.909 1.00 0.00 H new ATOM 0 HH12 ARG A 7 4.538 11.046 -0.822 1.00 0.00 H new ATOM 0 HH21 ARG A 7 3.678 9.205 2.068 1.00 0.00 H new ATOM 0 HH22 ARG A 7 4.613 10.559 1.425 1.00 0.00 H new ATOM 128 N CYS A 8 3.869 3.348 -2.480 1.00 0.00 N ATOM 129 CA CYS A 8 3.431 2.277 -3.311 1.00 0.00 C ATOM 130 C CYS A 8 1.907 2.350 -3.435 1.00 0.00 C ATOM 131 O CYS A 8 1.225 2.796 -2.502 1.00 0.00 O ATOM 132 CB CYS A 8 3.862 0.961 -2.646 1.00 0.00 C ATOM 133 SG CYS A 8 3.601 -0.529 -3.613 1.00 0.00 S ATOM 0 H CYS A 8 3.544 3.266 -1.517 1.00 0.00 H new ATOM 0 HA CYS A 8 3.866 2.338 -4.309 1.00 0.00 H new ATOM 0 HB2 CYS A 8 4.922 1.031 -2.401 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.323 0.859 -1.704 1.00 0.00 H new ATOM 0 HG CYS A 8 3.173 -0.208 -4.798 1.00 0.00 H new ATOM 139 N PHE A 9 1.399 1.964 -4.574 1.00 0.00 N ATOM 140 CA PHE A 9 -0.018 1.960 -4.853 1.00 0.00 C ATOM 141 C PHE A 9 -0.551 0.552 -4.701 1.00 0.00 C ATOM 142 O PHE A 9 0.027 -0.394 -5.254 1.00 0.00 O ATOM 143 CB PHE A 9 -0.266 2.486 -6.289 1.00 0.00 C ATOM 144 CG PHE A 9 -1.680 2.315 -6.804 1.00 0.00 C ATOM 145 CD1 PHE A 9 -2.677 3.207 -6.459 1.00 0.00 C ATOM 146 CD2 PHE A 9 -2.000 1.253 -7.641 1.00 0.00 C ATOM 147 CE1 PHE A 9 -3.962 3.045 -6.937 1.00 0.00 C ATOM 148 CE2 PHE A 9 -3.282 1.088 -8.119 1.00 0.00 C ATOM 149 CZ PHE A 9 -4.266 1.985 -7.766 1.00 0.00 C ATOM 0 H PHE A 9 1.969 1.635 -5.354 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.538 2.612 -4.151 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -0.011 3.545 -6.320 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.415 1.974 -6.969 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.449 4.039 -5.809 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.233 0.546 -7.921 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.732 3.750 -6.661 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.515 0.257 -8.769 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.272 1.859 -8.137 1.00 0.00 H new ATOM 159 N VAL A 10 -1.607 0.401 -3.927 1.00 0.00 N ATOM 160 CA VAL A 10 -2.232 -0.884 -3.758 1.00 0.00 C ATOM 161 C VAL A 10 -3.729 -0.749 -4.010 1.00 0.00 C ATOM 162 O VAL A 10 -4.443 -0.081 -3.258 1.00 0.00 O ATOM 163 CB VAL A 10 -2.003 -1.468 -2.330 1.00 0.00 C ATOM 164 CG1 VAL A 10 -2.593 -2.868 -2.217 1.00 0.00 C ATOM 165 CG2 VAL A 10 -0.523 -1.487 -1.972 1.00 0.00 C ATOM 0 H VAL A 10 -2.048 1.159 -3.406 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.779 -1.570 -4.473 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.515 -0.817 -1.621 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.421 -3.255 -1.213 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.665 -2.828 -2.412 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.116 -3.524 -2.945 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.396 -1.899 -0.971 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.017 -2.104 -2.690 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.129 -0.471 -1.998 1.00 0.00 H new ATOM 175 N GLY A 11 -4.189 -1.371 -5.054 1.00 0.00 N ATOM 176 CA GLY A 11 -5.584 -1.351 -5.394 1.00 0.00 C ATOM 177 C GLY A 11 -6.177 -2.730 -5.342 1.00 0.00 C ATOM 178 O GLY A 11 -5.450 -3.713 -5.447 1.00 0.00 O ATOM 0 H GLY A 11 -3.608 -1.909 -5.697 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.119 -0.696 -4.706 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.711 -0.935 -6.394 1.00 0.00 H new ATOM 182 N GLY A 12 -7.478 -2.808 -5.165 1.00 0.00 N ATOM 183 CA GLY A 12 -8.140 -4.095 -5.102 1.00 0.00 C ATOM 184 C GLY A 12 -8.274 -4.555 -3.677 1.00 0.00 C ATOM 185 O GLY A 12 -8.295 -5.745 -3.395 1.00 0.00 O ATOM 0 H GLY A 12 -8.096 -2.003 -5.063 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.126 -4.025 -5.561 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.573 -4.829 -5.675 1.00 0.00 H new ATOM 189 N LEU A 13 -8.384 -3.595 -2.783 1.00 0.00 N ATOM 190 CA LEU A 13 -8.456 -3.860 -1.368 1.00 0.00 C ATOM 191 C LEU A 13 -9.836 -4.331 -0.961 1.00 0.00 C ATOM 192 O LEU A 13 -10.799 -4.253 -1.736 1.00 0.00 O ATOM 193 CB LEU A 13 -8.042 -2.629 -0.558 1.00 0.00 C ATOM 194 CG LEU A 13 -6.594 -2.162 -0.741 1.00 0.00 C ATOM 195 CD1 LEU A 13 -6.332 -0.922 0.075 1.00 0.00 C ATOM 196 CD2 LEU A 13 -5.623 -3.260 -0.344 1.00 0.00 C ATOM 0 H LEU A 13 -8.426 -2.604 -3.022 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.754 -4.664 -1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.705 -1.805 -0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.204 -2.842 0.499 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.444 -1.928 -1.795 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.299 -0.605 -0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.004 -0.126 -0.247 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.504 -1.137 1.130 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.600 -2.909 -0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.779 -3.523 0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.792 -4.138 -0.968 1.00 0.00 H new ATOM 208 N ALA A 14 -9.936 -4.785 0.249 1.00 0.00 N ATOM 209 CA ALA A 14 -11.139 -5.360 0.738 1.00 0.00 C ATOM 210 C ALA A 14 -11.900 -4.392 1.626 1.00 0.00 C ATOM 211 O ALA A 14 -11.461 -3.264 1.861 1.00 0.00 O ATOM 212 CB ALA A 14 -10.803 -6.612 1.483 1.00 0.00 C ATOM 0 H ALA A 14 -9.175 -4.764 0.928 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.790 -5.594 -0.105 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.718 -7.065 1.865 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.304 -7.312 0.812 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.142 -6.373 2.316 1.00 0.00 H new ATOM 218 N TRP A 15 -13.018 -4.858 2.154 1.00 0.00 N ATOM 219 CA TRP A 15 -13.895 -4.038 2.966 1.00 0.00 C ATOM 220 C TRP A 15 -13.323 -3.896 4.373 1.00 0.00 C ATOM 221 O TRP A 15 -13.488 -2.871 5.018 1.00 0.00 O ATOM 222 CB TRP A 15 -15.314 -4.654 2.999 1.00 0.00 C ATOM 223 CG TRP A 15 -15.470 -5.820 3.923 1.00 0.00 C ATOM 224 CD1 TRP A 15 -15.127 -7.117 3.709 1.00 0.00 C ATOM 225 CD2 TRP A 15 -16.020 -5.755 5.221 1.00 0.00 C ATOM 226 NE1 TRP A 15 -15.425 -7.866 4.822 1.00 0.00 N ATOM 227 CE2 TRP A 15 -15.985 -7.044 5.766 1.00 0.00 C ATOM 228 CE3 TRP A 15 -16.530 -4.712 5.965 1.00 0.00 C ATOM 229 CZ2 TRP A 15 -16.457 -7.320 7.045 1.00 0.00 C ATOM 230 CZ3 TRP A 15 -17.003 -4.970 7.237 1.00 0.00 C ATOM 231 CH2 TRP A 15 -16.965 -6.269 7.767 1.00 0.00 C ATOM 0 H TRP A 15 -13.342 -5.817 2.031 1.00 0.00 H new ATOM 0 HA TRP A 15 -13.967 -3.043 2.528 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -16.024 -3.880 3.290 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -15.582 -4.969 1.990 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -14.686 -7.502 2.801 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -15.258 -8.867 4.928 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -16.559 -3.711 5.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -16.425 -8.319 7.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -17.407 -4.163 7.830 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -17.343 -6.445 8.763 1.00 0.00 H new ATOM 242 N ALA A 16 -12.618 -4.927 4.820 1.00 0.00 N ATOM 243 CA ALA A 16 -12.044 -4.946 6.147 1.00 0.00 C ATOM 244 C ALA A 16 -10.641 -4.365 6.144 1.00 0.00 C ATOM 245 O ALA A 16 -9.967 -4.315 7.184 1.00 0.00 O ATOM 246 CB ALA A 16 -12.035 -6.368 6.694 1.00 0.00 C ATOM 0 H ALA A 16 -12.432 -5.767 4.272 1.00 0.00 H new ATOM 0 HA ALA A 16 -12.661 -4.324 6.796 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -11.601 -6.371 7.694 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -13.056 -6.746 6.741 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.442 -7.006 6.039 1.00 0.00 H new ATOM 252 N THR A 17 -10.190 -3.912 4.990 1.00 0.00 N ATOM 253 CA THR A 17 -8.882 -3.364 4.909 1.00 0.00 C ATOM 254 C THR A 17 -8.885 -1.938 5.462 1.00 0.00 C ATOM 255 O THR A 17 -9.558 -1.050 4.949 1.00 0.00 O ATOM 256 CB THR A 17 -8.349 -3.379 3.469 1.00 0.00 C ATOM 257 OG1 THR A 17 -8.547 -4.692 2.913 1.00 0.00 O ATOM 258 CG2 THR A 17 -6.858 -3.072 3.472 1.00 0.00 C ATOM 0 H THR A 17 -10.714 -3.919 4.115 1.00 0.00 H new ATOM 0 HA THR A 17 -8.217 -3.985 5.509 1.00 0.00 H new ATOM 0 HB THR A 17 -8.877 -2.631 2.878 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.766 -4.941 2.377 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.482 -3.083 2.449 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.690 -2.088 3.909 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.333 -3.825 4.060 1.00 0.00 H new ATOM 266 N THR A 18 -8.139 -1.762 6.503 1.00 0.00 N ATOM 267 CA THR A 18 -7.988 -0.517 7.182 1.00 0.00 C ATOM 268 C THR A 18 -6.570 -0.123 7.138 1.00 0.00 C ATOM 269 O THR A 18 -5.687 -0.941 6.825 1.00 0.00 O ATOM 270 CB THR A 18 -8.478 -0.633 8.636 1.00 0.00 C ATOM 271 OG1 THR A 18 -7.911 -1.816 9.235 1.00 0.00 O ATOM 272 CG2 THR A 18 -10.000 -0.706 8.699 1.00 0.00 C ATOM 0 H THR A 18 -7.594 -2.516 6.922 1.00 0.00 H new ATOM 0 HA THR A 18 -8.592 0.246 6.690 1.00 0.00 H new ATOM 0 HB THR A 18 -8.158 0.254 9.182 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.219 -1.893 10.162 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.318 -0.787 9.739 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.426 0.196 8.259 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.346 -1.578 8.145 1.00 0.00 H new ATOM 280 N ASP A 19 -6.354 1.108 7.443 1.00 0.00 N ATOM 281 CA ASP A 19 -5.072 1.729 7.375 1.00 0.00 C ATOM 282 C ASP A 19 -4.064 1.024 8.268 1.00 0.00 C ATOM 283 O ASP A 19 -2.881 0.944 7.935 1.00 0.00 O ATOM 284 CB ASP A 19 -5.194 3.170 7.789 1.00 0.00 C ATOM 285 CG ASP A 19 -6.307 3.914 7.097 1.00 0.00 C ATOM 286 OD1 ASP A 19 -6.121 4.379 5.969 1.00 0.00 O ATOM 287 OD2 ASP A 19 -7.377 4.064 7.676 1.00 0.00 O1- ATOM 0 H ASP A 19 -7.092 1.737 7.759 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.714 1.663 6.347 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.355 3.216 8.866 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.251 3.677 7.586 1.00 0.00 H new ATOM 292 N GLN A 20 -4.552 0.480 9.386 1.00 0.00 N ATOM 293 CA GLN A 20 -3.700 -0.228 10.331 1.00 0.00 C ATOM 294 C GLN A 20 -3.160 -1.487 9.687 1.00 0.00 C ATOM 295 O GLN A 20 -1.960 -1.618 9.489 1.00 0.00 O ATOM 296 CB GLN A 20 -4.474 -0.638 11.584 1.00 0.00 C ATOM 297 CG GLN A 20 -5.279 0.460 12.244 1.00 0.00 C ATOM 298 CD GLN A 20 -5.884 0.021 13.573 1.00 0.00 C ATOM 299 OE1 GLN A 20 -6.092 -1.269 13.745 1.00 0.00 O flip ATOM 300 NE2 GLN A 20 -6.115 0.832 14.453 1.00 0.00 N flip ATOM 0 H GLN A 20 -5.535 0.519 9.655 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.892 0.447 10.611 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.150 -1.452 11.322 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.767 -1.034 12.313 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.639 1.327 12.408 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.077 0.776 11.572 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.944 1.824 14.290 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -6.480 0.518 15.353 1.00 0.00 H new ATOM 309 N THR A 21 -4.078 -2.365 9.270 1.00 0.00 N ATOM 310 CA THR A 21 -3.718 -3.669 8.738 1.00 0.00 C ATOM 311 C THR A 21 -2.927 -3.534 7.437 1.00 0.00 C ATOM 312 O THR A 21 -2.096 -4.381 7.112 1.00 0.00 O ATOM 313 CB THR A 21 -4.968 -4.599 8.573 1.00 0.00 C ATOM 314 OG1 THR A 21 -4.576 -5.931 8.251 1.00 0.00 O ATOM 315 CG2 THR A 21 -5.913 -4.092 7.500 1.00 0.00 C ATOM 0 H THR A 21 -5.082 -2.187 9.294 1.00 0.00 H new ATOM 0 HA THR A 21 -3.067 -4.152 9.466 1.00 0.00 H new ATOM 0 HB THR A 21 -5.488 -4.591 9.531 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.373 -6.492 8.155 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.766 -4.766 7.418 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.263 -3.094 7.765 1.00 0.00 H new ATOM 0 HG23 THR A 21 -5.390 -4.051 6.544 1.00 0.00 H new ATOM 323 N LEU A 22 -3.170 -2.440 6.720 1.00 0.00 N ATOM 324 CA LEU A 22 -2.437 -2.133 5.513 1.00 0.00 C ATOM 325 C LEU A 22 -0.951 -1.985 5.869 1.00 0.00 C ATOM 326 O LEU A 22 -0.084 -2.586 5.238 1.00 0.00 O ATOM 327 CB LEU A 22 -2.963 -0.826 4.904 1.00 0.00 C ATOM 328 CG LEU A 22 -2.393 -0.437 3.541 1.00 0.00 C ATOM 329 CD1 LEU A 22 -2.840 -1.417 2.464 1.00 0.00 C ATOM 330 CD2 LEU A 22 -2.784 0.988 3.177 1.00 0.00 C ATOM 0 H LEU A 22 -3.879 -1.749 6.965 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.565 -2.933 4.784 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.046 -0.903 4.812 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.759 -0.016 5.604 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.306 -0.482 3.605 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.421 -1.118 1.503 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.491 -2.419 2.716 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.928 -1.417 2.401 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.367 1.242 2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.870 1.069 3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.395 1.675 3.929 1.00 0.00 H new ATOM 342 N GLY A 23 -0.686 -1.226 6.920 1.00 0.00 N ATOM 343 CA GLY A 23 0.665 -1.034 7.380 1.00 0.00 C ATOM 344 C GLY A 23 1.230 -2.298 8.002 1.00 0.00 C ATOM 345 O GLY A 23 2.369 -2.668 7.724 1.00 0.00 O ATOM 0 H GLY A 23 -1.394 -0.736 7.466 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.294 -0.727 6.544 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.689 -0.226 8.111 1.00 0.00 H new ATOM 349 N GLU A 24 0.409 -2.980 8.802 1.00 0.00 N ATOM 350 CA GLU A 24 0.804 -4.219 9.492 1.00 0.00 C ATOM 351 C GLU A 24 1.281 -5.272 8.491 1.00 0.00 C ATOM 352 O GLU A 24 2.336 -5.880 8.662 1.00 0.00 O ATOM 353 CB GLU A 24 -0.372 -4.778 10.312 1.00 0.00 C ATOM 354 CG GLU A 24 -0.866 -3.855 11.423 1.00 0.00 C ATOM 355 CD GLU A 24 -2.107 -4.387 12.126 1.00 0.00 C ATOM 356 OE1 GLU A 24 -1.966 -5.222 13.026 1.00 0.00 O ATOM 357 OE2 GLU A 24 -3.235 -3.952 11.769 1.00 0.00 O1- ATOM 0 H GLU A 24 -0.551 -2.692 8.993 1.00 0.00 H new ATOM 0 HA GLU A 24 1.626 -3.979 10.166 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.201 -4.989 9.637 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.071 -5.728 10.753 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.070 -3.718 12.155 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.085 -2.873 11.003 1.00 0.00 H new ATOM 364 N ALA A 25 0.515 -5.444 7.429 1.00 0.00 N ATOM 365 CA ALA A 25 0.812 -6.425 6.398 1.00 0.00 C ATOM 366 C ALA A 25 2.102 -6.098 5.651 1.00 0.00 C ATOM 367 O ALA A 25 2.912 -6.980 5.374 1.00 0.00 O ATOM 368 CB ALA A 25 -0.347 -6.515 5.419 1.00 0.00 C ATOM 0 H ALA A 25 -0.334 -4.906 7.256 1.00 0.00 H new ATOM 0 HA ALA A 25 0.953 -7.387 6.890 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.117 -7.252 4.650 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.250 -6.815 5.951 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.507 -5.542 4.954 1.00 0.00 H new ATOM 374 N PHE A 26 2.311 -4.836 5.354 1.00 0.00 N ATOM 375 CA PHE A 26 3.468 -4.452 4.574 1.00 0.00 C ATOM 376 C PHE A 26 4.745 -4.290 5.389 1.00 0.00 C ATOM 377 O PHE A 26 5.837 -4.255 4.818 1.00 0.00 O ATOM 378 CB PHE A 26 3.198 -3.244 3.687 1.00 0.00 C ATOM 379 CG PHE A 26 2.306 -3.538 2.501 1.00 0.00 C ATOM 380 CD1 PHE A 26 2.853 -3.991 1.314 1.00 0.00 C ATOM 381 CD2 PHE A 26 0.939 -3.358 2.568 1.00 0.00 C ATOM 382 CE1 PHE A 26 2.058 -4.256 0.220 1.00 0.00 C ATOM 383 CE2 PHE A 26 0.133 -3.620 1.479 1.00 0.00 C ATOM 384 CZ PHE A 26 0.694 -4.070 0.303 1.00 0.00 C ATOM 0 H PHE A 26 1.705 -4.066 5.636 1.00 0.00 H new ATOM 0 HA PHE A 26 3.654 -5.301 3.916 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.738 -2.460 4.289 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.149 -2.852 3.325 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.920 -4.139 1.243 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.493 -3.007 3.487 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.502 -4.608 -0.699 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.935 -3.473 1.548 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.067 -4.276 -0.552 1.00 0.00 H new ATOM 394 N SER A 27 4.616 -4.246 6.713 1.00 0.00 N ATOM 395 CA SER A 27 5.777 -4.141 7.620 1.00 0.00 C ATOM 396 C SER A 27 6.692 -5.376 7.449 1.00 0.00 C ATOM 397 O SER A 27 7.903 -5.311 7.655 1.00 0.00 O ATOM 398 CB SER A 27 5.287 -3.982 9.084 1.00 0.00 C ATOM 399 OG SER A 27 6.350 -3.921 10.024 1.00 0.00 O ATOM 0 H SER A 27 3.717 -4.281 7.193 1.00 0.00 H new ATOM 0 HA SER A 27 6.364 -3.258 7.368 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.687 -3.075 9.164 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.635 -4.819 9.336 1.00 0.00 H new ATOM 0 HG SER A 27 6.927 -3.156 9.816 1.00 0.00 H new ATOM 405 N GLN A 28 6.090 -6.485 6.993 1.00 0.00 N ATOM 406 CA GLN A 28 6.811 -7.724 6.711 1.00 0.00 C ATOM 407 C GLN A 28 7.865 -7.493 5.611 1.00 0.00 C ATOM 408 O GLN A 28 8.934 -8.116 5.600 1.00 0.00 O ATOM 409 CB GLN A 28 5.816 -8.797 6.248 1.00 0.00 C ATOM 410 CG GLN A 28 6.453 -10.129 5.880 1.00 0.00 C ATOM 411 CD GLN A 28 5.458 -11.113 5.308 1.00 0.00 C ATOM 412 OE1 GLN A 28 4.849 -11.892 6.026 1.00 0.00 O ATOM 413 NE2 GLN A 28 5.283 -11.083 4.009 1.00 0.00 N ATOM 0 H GLN A 28 5.088 -6.542 6.811 1.00 0.00 H new ATOM 0 HA GLN A 28 7.316 -8.054 7.619 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.086 -8.964 7.040 1.00 0.00 H new ATOM 0 HB3 GLN A 28 5.269 -8.419 5.384 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.248 -9.959 5.154 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.918 -10.562 6.766 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.808 -10.420 3.439 1.00 0.00 H new ATOM 0 HE22 GLN A 28 4.622 -11.723 3.569 1.00 0.00 H new ATOM 422 N PHE A 29 7.559 -6.590 4.706 1.00 0.00 N ATOM 423 CA PHE A 29 8.435 -6.302 3.602 1.00 0.00 C ATOM 424 C PHE A 29 9.409 -5.205 4.000 1.00 0.00 C ATOM 425 O PHE A 29 10.617 -5.268 3.671 1.00 0.00 O ATOM 426 CB PHE A 29 7.628 -5.899 2.363 1.00 0.00 C ATOM 427 CG PHE A 29 6.600 -6.929 1.950 1.00 0.00 C ATOM 428 CD1 PHE A 29 6.982 -8.107 1.337 1.00 0.00 C ATOM 429 CD2 PHE A 29 5.260 -6.713 2.190 1.00 0.00 C ATOM 430 CE1 PHE A 29 6.043 -9.050 0.968 1.00 0.00 C ATOM 431 CE2 PHE A 29 4.311 -7.648 1.827 1.00 0.00 C ATOM 432 CZ PHE A 29 4.704 -8.821 1.212 1.00 0.00 C ATOM 0 H PHE A 29 6.700 -6.040 4.718 1.00 0.00 H new ATOM 0 HA PHE A 29 9.001 -7.199 3.349 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.124 -4.953 2.560 1.00 0.00 H new ATOM 0 HB3 PHE A 29 8.313 -5.728 1.533 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.028 -8.293 1.144 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.947 -5.797 2.670 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.356 -9.966 0.489 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.265 -7.463 2.023 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.967 -9.556 0.923 1.00 0.00 H new ATOM 442 N GLY A 30 8.907 -4.216 4.717 1.00 0.00 N ATOM 443 CA GLY A 30 9.729 -3.150 5.202 1.00 0.00 C ATOM 444 C GLY A 30 8.911 -2.113 5.918 1.00 0.00 C ATOM 445 O GLY A 30 7.695 -2.068 5.749 1.00 0.00 O ATOM 0 H GLY A 30 7.922 -4.139 4.972 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.486 -3.550 5.877 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.258 -2.688 4.369 1.00 0.00 H new ATOM 449 N GLU A 31 9.578 -1.271 6.687 1.00 0.00 N ATOM 450 CA GLU A 31 8.922 -0.265 7.492 1.00 0.00 C ATOM 451 C GLU A 31 8.189 0.805 6.709 1.00 0.00 C ATOM 452 O GLU A 31 8.644 1.281 5.633 1.00 0.00 O ATOM 453 CB GLU A 31 9.856 0.311 8.537 1.00 0.00 C ATOM 454 CG GLU A 31 10.106 -0.656 9.677 1.00 0.00 C ATOM 455 CD GLU A 31 8.814 -0.993 10.413 1.00 0.00 C ATOM 456 OE1 GLU A 31 8.024 -1.831 9.902 1.00 0.00 O1- ATOM 457 OE2 GLU A 31 8.571 -0.396 11.470 1.00 0.00 O ATOM 0 H GLU A 31 10.595 -1.269 6.769 1.00 0.00 H new ATOM 0 HA GLU A 31 8.126 -0.796 8.014 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.805 0.572 8.069 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.431 1.234 8.932 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.555 -1.570 9.289 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.821 -0.221 10.375 1.00 0.00 H new ATOM 464 N ILE A 32 7.080 1.188 7.287 1.00 0.00 N ATOM 465 CA ILE A 32 6.101 2.069 6.702 1.00 0.00 C ATOM 466 C ILE A 32 6.303 3.511 7.200 1.00 0.00 C ATOM 467 O ILE A 32 6.702 3.730 8.335 1.00 0.00 O ATOM 468 CB ILE A 32 4.671 1.594 7.140 1.00 0.00 C ATOM 469 CG1 ILE A 32 4.481 0.079 6.910 1.00 0.00 C ATOM 470 CG2 ILE A 32 3.575 2.373 6.433 1.00 0.00 C ATOM 471 CD1 ILE A 32 4.621 -0.365 5.471 1.00 0.00 C ATOM 0 H ILE A 32 6.822 0.879 8.224 1.00 0.00 H new ATOM 0 HA ILE A 32 6.209 2.044 5.618 1.00 0.00 H new ATOM 0 HB ILE A 32 4.591 1.792 8.209 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.210 -0.461 7.515 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.493 -0.208 7.270 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.601 2.013 6.764 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.670 3.432 6.671 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.666 2.233 5.356 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.472 -1.443 5.407 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.874 0.142 4.860 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.618 -0.115 5.108 1.00 0.00 H new ATOM 483 N LEU A 33 6.057 4.469 6.330 1.00 0.00 N ATOM 484 CA LEU A 33 6.070 5.876 6.696 1.00 0.00 C ATOM 485 C LEU A 33 4.639 6.355 6.882 1.00 0.00 C ATOM 486 O LEU A 33 4.318 7.043 7.844 1.00 0.00 O ATOM 487 CB LEU A 33 6.784 6.725 5.635 1.00 0.00 C ATOM 488 CG LEU A 33 8.272 6.430 5.414 1.00 0.00 C ATOM 489 CD1 LEU A 33 8.846 7.358 4.359 1.00 0.00 C ATOM 490 CD2 LEU A 33 9.051 6.564 6.718 1.00 0.00 C ATOM 0 H LEU A 33 5.842 4.297 5.348 1.00 0.00 H new ATOM 0 HA LEU A 33 6.622 5.989 7.629 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.265 6.593 4.686 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.681 7.774 5.911 1.00 0.00 H new ATOM 0 HG LEU A 33 8.366 5.402 5.063 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.903 7.135 4.215 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.313 7.214 3.419 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.735 8.392 4.685 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.104 6.350 6.536 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.948 7.579 7.101 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.659 5.859 7.450 1.00 0.00 H new ATOM 502 N ASP A 34 3.787 5.949 5.964 1.00 0.00 N ATOM 503 CA ASP A 34 2.370 6.259 6.000 1.00 0.00 C ATOM 504 C ASP A 34 1.643 5.173 5.256 1.00 0.00 C ATOM 505 O ASP A 34 2.222 4.523 4.380 1.00 0.00 O ATOM 506 CB ASP A 34 2.019 7.661 5.397 1.00 0.00 C ATOM 507 CG ASP A 34 2.273 7.807 3.897 1.00 0.00 C ATOM 508 OD1 ASP A 34 1.481 7.293 3.081 1.00 0.00 O1- ATOM 509 OD2 ASP A 34 3.279 8.416 3.509 1.00 0.00 O ATOM 0 H ASP A 34 4.062 5.386 5.159 1.00 0.00 H new ATOM 0 HA ASP A 34 2.060 6.306 7.044 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.967 7.870 5.593 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.598 8.420 5.923 1.00 0.00 H new ATOM 514 N SER A 35 0.437 4.920 5.640 1.00 0.00 N ATOM 515 CA SER A 35 -0.377 3.933 5.005 1.00 0.00 C ATOM 516 C SER A 35 -1.823 4.368 5.094 1.00 0.00 C ATOM 517 O SER A 35 -2.424 4.342 6.169 1.00 0.00 O ATOM 518 CB SER A 35 -0.139 2.552 5.651 1.00 0.00 C ATOM 519 OG SER A 35 -0.243 2.615 7.069 1.00 0.00 O ATOM 0 H SER A 35 -0.020 5.399 6.416 1.00 0.00 H new ATOM 0 HA SER A 35 -0.112 3.837 3.952 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.865 1.838 5.263 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.849 2.185 5.373 1.00 0.00 H new ATOM 0 HG SER A 35 -0.947 3.250 7.317 1.00 0.00 H new ATOM 525 N LYS A 36 -2.359 4.816 3.993 1.00 0.00 N ATOM 526 CA LYS A 36 -3.703 5.318 3.968 1.00 0.00 C ATOM 527 C LYS A 36 -4.564 4.667 2.927 1.00 0.00 C ATOM 528 O LYS A 36 -4.205 4.604 1.745 1.00 0.00 O ATOM 529 CB LYS A 36 -3.759 6.853 3.810 1.00 0.00 C ATOM 530 CG LYS A 36 -3.806 7.648 5.125 1.00 0.00 C ATOM 531 CD LYS A 36 -5.021 7.248 5.987 1.00 0.00 C ATOM 532 CE LYS A 36 -6.358 7.408 5.238 1.00 0.00 C ATOM 533 NZ LYS A 36 -7.468 6.682 5.914 1.00 0.00 N1+ ATOM 0 H LYS A 36 -1.879 4.843 3.093 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.112 5.055 4.944 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.887 7.175 3.241 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.638 7.109 3.218 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.888 7.477 5.687 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.851 8.715 4.905 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.910 6.212 6.306 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.039 7.860 6.889 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.608 8.466 5.166 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.249 7.036 4.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.378 6.989 5.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.353 5.659 5.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.450 6.891 6.933 1.00 0.00 H new ATOM 547 N ILE A 37 -5.687 4.183 3.378 1.00 0.00 N ATOM 548 CA ILE A 37 -6.722 3.681 2.527 1.00 0.00 C ATOM 549 C ILE A 37 -7.429 4.898 1.989 1.00 0.00 C ATOM 550 O ILE A 37 -7.709 5.841 2.753 1.00 0.00 O ATOM 551 CB ILE A 37 -7.769 2.843 3.333 1.00 0.00 C ATOM 552 CG1 ILE A 37 -7.099 1.701 4.106 1.00 0.00 C ATOM 553 CG2 ILE A 37 -8.874 2.298 2.418 1.00 0.00 C ATOM 554 CD1 ILE A 37 -6.425 0.667 3.246 1.00 0.00 C ATOM 0 H ILE A 37 -5.911 4.126 4.372 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.296 3.041 1.754 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.229 3.516 4.057 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.360 2.126 4.786 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.851 1.207 4.721 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.585 1.721 3.010 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.392 3.129 1.938 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.432 1.657 1.655 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.980 -0.100 3.880 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.160 0.209 2.584 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.646 1.142 2.650 1.00 0.00 H new ATOM 566 N ILE A 38 -7.684 4.924 0.719 1.00 0.00 N ATOM 567 CA ILE A 38 -8.383 6.029 0.149 1.00 0.00 C ATOM 568 C ILE A 38 -9.839 5.928 0.534 1.00 0.00 C ATOM 569 O ILE A 38 -10.544 4.990 0.139 1.00 0.00 O ATOM 570 CB ILE A 38 -8.206 6.106 -1.390 1.00 0.00 C ATOM 571 CG1 ILE A 38 -6.714 6.324 -1.734 1.00 0.00 C ATOM 572 CG2 ILE A 38 -9.080 7.214 -2.002 1.00 0.00 C ATOM 573 CD1 ILE A 38 -6.124 7.624 -1.206 1.00 0.00 C ATOM 0 H ILE A 38 -7.419 4.193 0.059 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.962 6.954 0.543 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.535 5.161 -1.823 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.137 5.490 -1.334 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.598 6.302 -2.818 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.931 7.240 -3.082 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -10.129 7.012 -1.785 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.800 8.176 -1.574 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -5.075 7.691 -1.495 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.671 8.469 -1.625 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.203 7.644 -0.119 1.00 0.00 H new ATOM 585 N ASN A 39 -10.245 6.824 1.374 1.00 0.00 N ATOM 586 CA ASN A 39 -11.598 6.899 1.827 1.00 0.00 C ATOM 587 C ASN A 39 -12.299 8.025 1.115 1.00 0.00 C ATOM 588 O ASN A 39 -11.662 8.969 0.653 1.00 0.00 O ATOM 589 CB ASN A 39 -11.679 7.082 3.361 1.00 0.00 C ATOM 590 CG ASN A 39 -10.957 8.321 3.894 1.00 0.00 C ATOM 591 OD1 ASN A 39 -9.772 8.257 4.257 1.00 0.00 O ATOM 592 ND2 ASN A 39 -11.647 9.445 3.954 1.00 0.00 N ATOM 0 H ASN A 39 -9.635 7.538 1.772 1.00 0.00 H new ATOM 0 HA ASN A 39 -12.094 5.957 1.594 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -12.728 7.136 3.652 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -11.259 6.198 3.842 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.207 10.295 4.307 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.620 9.463 3.647 1.00 0.00 H new ATOM 599 N ASP A 40 -13.592 7.910 0.994 1.00 0.00 N ATOM 600 CA ASP A 40 -14.390 8.920 0.331 1.00 0.00 C ATOM 601 C ASP A 40 -14.513 10.116 1.249 1.00 0.00 C ATOM 602 O ASP A 40 -14.649 9.955 2.465 1.00 0.00 O ATOM 603 CB ASP A 40 -15.793 8.383 0.026 1.00 0.00 C ATOM 604 CG ASP A 40 -16.519 9.172 -1.043 1.00 0.00 C ATOM 605 OD1 ASP A 40 -16.638 10.397 -0.917 1.00 0.00 O ATOM 606 OD2 ASP A 40 -17.027 8.548 -2.006 1.00 0.00 O1- ATOM 0 H ASP A 40 -14.128 7.118 1.349 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.908 9.198 -0.606 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.715 7.343 -0.290 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -16.385 8.394 0.941 1.00 0.00 H new ATOM 611 N ARG A 41 -14.480 11.296 0.677 1.00 0.00 N ATOM 612 CA ARG A 41 -14.603 12.537 1.432 1.00 0.00 C ATOM 613 C ARG A 41 -16.011 12.790 1.983 1.00 0.00 C ATOM 614 O ARG A 41 -16.230 13.738 2.709 1.00 0.00 O ATOM 615 CB ARG A 41 -14.015 13.765 0.671 1.00 0.00 C ATOM 616 CG ARG A 41 -14.410 13.994 -0.822 1.00 0.00 C ATOM 617 CD ARG A 41 -15.892 14.323 -1.074 1.00 0.00 C ATOM 618 NE ARG A 41 -16.718 13.130 -1.331 1.00 0.00 N ATOM 619 CZ ARG A 41 -18.006 13.129 -1.718 1.00 0.00 C ATOM 620 NH1 ARG A 41 -18.694 14.266 -1.833 1.00 0.00 N1+ ATOM 621 NH2 ARG A 41 -18.594 11.976 -1.963 1.00 0.00 N ATOM 0 H ARG A 41 -14.367 11.431 -0.328 1.00 0.00 H new ATOM 0 HA ARG A 41 -13.979 12.399 2.315 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -14.295 14.660 1.226 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.929 13.690 0.715 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.803 14.808 -1.219 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -14.153 13.099 -1.389 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -16.291 14.854 -0.210 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -15.967 14.999 -1.926 1.00 0.00 H new ATOM 0 HE ARG A 41 -16.272 12.222 -1.204 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -18.244 15.158 -1.626 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -19.670 14.244 -2.128 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -18.073 11.105 -1.858 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -19.570 11.954 -2.258 1.00 0.00 H new ATOM 635 N GLU A 42 -16.944 11.955 1.594 1.00 0.00 N ATOM 636 CA GLU A 42 -18.324 12.079 2.022 1.00 0.00 C ATOM 637 C GLU A 42 -18.548 11.362 3.351 1.00 0.00 C ATOM 638 O GLU A 42 -18.872 11.969 4.354 1.00 0.00 O ATOM 639 CB GLU A 42 -19.187 11.419 0.975 1.00 0.00 C ATOM 640 CG GLU A 42 -20.672 11.690 1.026 1.00 0.00 C ATOM 641 CD GLU A 42 -21.363 10.880 -0.036 1.00 0.00 C ATOM 642 OE1 GLU A 42 -21.073 11.102 -1.249 1.00 0.00 O ATOM 643 OE2 GLU A 42 -22.100 9.941 0.304 1.00 0.00 O1- ATOM 0 H GLU A 42 -16.771 11.167 0.970 1.00 0.00 H new ATOM 0 HA GLU A 42 -18.571 13.133 2.148 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -18.822 11.727 -0.005 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -19.039 10.342 1.047 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -21.066 11.433 2.009 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -20.865 12.752 0.872 1.00 0.00 H new ATOM 650 N THR A 43 -18.353 10.060 3.335 1.00 0.00 N ATOM 651 CA THR A 43 -18.697 9.229 4.467 1.00 0.00 C ATOM 652 C THR A 43 -17.515 8.457 5.036 1.00 0.00 C ATOM 653 O THR A 43 -17.665 7.707 5.989 1.00 0.00 O ATOM 654 CB THR A 43 -19.786 8.245 4.027 1.00 0.00 C ATOM 655 OG1 THR A 43 -19.422 7.710 2.736 1.00 0.00 O ATOM 656 CG2 THR A 43 -21.114 8.946 3.891 1.00 0.00 C ATOM 0 H THR A 43 -17.955 9.553 2.544 1.00 0.00 H new ATOM 0 HA THR A 43 -19.045 9.887 5.264 1.00 0.00 H new ATOM 0 HB THR A 43 -19.874 7.456 4.774 1.00 0.00 H new ATOM 0 HG1 THR A 43 -19.656 8.355 2.037 1.00 0.00 H new ATOM 0 HG21 THR A 43 -21.873 8.229 3.578 1.00 0.00 H new ATOM 0 HG22 THR A 43 -21.397 9.378 4.851 1.00 0.00 H new ATOM 0 HG23 THR A 43 -21.033 9.738 3.146 1.00 0.00 H new ATOM 664 N GLY A 44 -16.350 8.617 4.441 1.00 0.00 N ATOM 665 CA GLY A 44 -15.185 7.887 4.915 1.00 0.00 C ATOM 666 C GLY A 44 -15.140 6.453 4.400 1.00 0.00 C ATOM 667 O GLY A 44 -14.242 5.699 4.741 1.00 0.00 O ATOM 0 H GLY A 44 -16.183 9.232 3.645 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -14.281 8.410 4.602 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.186 7.877 6.005 1.00 0.00 H new ATOM 671 N ARG A 45 -16.117 6.087 3.580 1.00 0.00 N ATOM 672 CA ARG A 45 -16.190 4.749 2.985 1.00 0.00 C ATOM 673 C ARG A 45 -14.962 4.490 2.102 1.00 0.00 C ATOM 674 O ARG A 45 -14.514 5.387 1.372 1.00 0.00 O ATOM 675 CB ARG A 45 -17.487 4.607 2.160 1.00 0.00 C ATOM 676 CG ARG A 45 -17.592 5.640 1.060 1.00 0.00 C ATOM 677 CD ARG A 45 -18.910 5.620 0.321 1.00 0.00 C ATOM 678 NE ARG A 45 -18.954 6.739 -0.629 1.00 0.00 N ATOM 679 CZ ARG A 45 -19.912 7.675 -0.691 1.00 0.00 C ATOM 680 NH1 ARG A 45 -21.018 7.577 0.042 1.00 0.00 N1+ ATOM 681 NH2 ARG A 45 -19.744 8.713 -1.489 1.00 0.00 N ATOM 0 H ARG A 45 -16.882 6.704 3.306 1.00 0.00 H new ATOM 0 HA ARG A 45 -16.201 4.009 3.785 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -17.527 3.610 1.722 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -18.347 4.699 2.823 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -17.444 6.630 1.490 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -16.784 5.479 0.346 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -19.028 4.674 -0.208 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -19.737 5.696 1.027 1.00 0.00 H new ATOM 0 HE ARG A 45 -18.189 6.810 -1.300 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -21.148 6.780 0.665 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -21.736 8.299 -0.019 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -18.894 8.795 -2.048 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -20.464 9.433 -1.547 1.00 0.00 H new ATOM 695 N SER A 46 -14.434 3.296 2.169 1.00 0.00 N ATOM 696 CA SER A 46 -13.262 2.913 1.425 1.00 0.00 C ATOM 697 C SER A 46 -13.509 2.961 -0.099 1.00 0.00 C ATOM 698 O SER A 46 -14.642 2.749 -0.578 1.00 0.00 O ATOM 699 CB SER A 46 -12.824 1.531 1.904 1.00 0.00 C ATOM 700 OG SER A 46 -13.958 0.689 2.069 1.00 0.00 O ATOM 0 H SER A 46 -14.813 2.549 2.752 1.00 0.00 H new ATOM 0 HA SER A 46 -12.457 3.625 1.608 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.135 1.089 1.184 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.286 1.618 2.848 1.00 0.00 H new ATOM 0 HG SER A 46 -13.667 -0.195 2.375 1.00 0.00 H new ATOM 706 N ARG A 47 -12.488 3.341 -0.851 1.00 0.00 N ATOM 707 CA ARG A 47 -12.592 3.428 -2.306 1.00 0.00 C ATOM 708 C ARG A 47 -11.983 2.204 -2.981 1.00 0.00 C ATOM 709 O ARG A 47 -11.878 2.146 -4.193 1.00 0.00 O ATOM 710 CB ARG A 47 -11.946 4.728 -2.828 1.00 0.00 C ATOM 711 CG ARG A 47 -12.512 6.043 -2.231 1.00 0.00 C ATOM 712 CD ARG A 47 -13.977 6.312 -2.589 1.00 0.00 C ATOM 713 NE ARG A 47 -14.898 5.273 -2.077 1.00 0.00 N ATOM 714 CZ ARG A 47 -16.138 5.043 -2.512 1.00 0.00 C ATOM 715 NH1 ARG A 47 -16.820 5.995 -3.162 1.00 0.00 N1+ ATOM 716 NH2 ARG A 47 -16.736 3.896 -2.185 1.00 0.00 N ATOM 0 H ARG A 47 -11.573 3.596 -0.480 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.651 3.451 -2.562 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -10.876 4.688 -2.624 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -12.063 4.762 -3.911 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -12.415 6.008 -1.146 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -11.905 6.879 -2.579 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -14.272 7.281 -2.186 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -14.075 6.374 -3.673 1.00 0.00 H new ATOM 0 HE ARG A 47 -14.553 4.679 -1.323 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -16.392 6.906 -3.328 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -17.768 5.809 -3.491 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -16.245 3.211 -1.611 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -17.684 3.704 -2.509 1.00 0.00 H new ATOM 730 N GLY A 48 -11.573 1.240 -2.177 1.00 0.00 N ATOM 731 CA GLY A 48 -11.077 -0.017 -2.714 1.00 0.00 C ATOM 732 C GLY A 48 -9.592 -0.019 -3.014 1.00 0.00 C ATOM 733 O GLY A 48 -9.071 -0.982 -3.584 1.00 0.00 O ATOM 0 H GLY A 48 -11.573 1.300 -1.159 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.294 -0.814 -2.003 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.622 -0.249 -3.629 1.00 0.00 H new ATOM 737 N PHE A 49 -8.901 1.036 -2.647 1.00 0.00 N ATOM 738 CA PHE A 49 -7.473 1.099 -2.867 1.00 0.00 C ATOM 739 C PHE A 49 -6.837 2.032 -1.851 1.00 0.00 C ATOM 740 O PHE A 49 -7.553 2.759 -1.137 1.00 0.00 O ATOM 741 CB PHE A 49 -7.134 1.519 -4.320 1.00 0.00 C ATOM 742 CG PHE A 49 -7.430 2.942 -4.687 1.00 0.00 C ATOM 743 CD1 PHE A 49 -8.720 3.362 -4.964 1.00 0.00 C ATOM 744 CD2 PHE A 49 -6.400 3.854 -4.764 1.00 0.00 C ATOM 745 CE1 PHE A 49 -8.973 4.675 -5.310 1.00 0.00 C ATOM 746 CE2 PHE A 49 -6.641 5.167 -5.109 1.00 0.00 C ATOM 747 CZ PHE A 49 -7.932 5.580 -5.383 1.00 0.00 C ATOM 0 H PHE A 49 -9.302 1.859 -2.197 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.058 0.101 -2.729 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -6.073 1.335 -4.490 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -7.683 0.869 -5.001 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -9.536 2.656 -4.909 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.390 3.536 -4.551 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -9.983 4.993 -5.523 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.824 5.871 -5.165 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.126 6.607 -5.653 1.00 0.00 H new ATOM 757 N GLY A 50 -5.533 1.995 -1.761 1.00 0.00 N ATOM 758 CA GLY A 50 -4.826 2.820 -0.832 1.00 0.00 C ATOM 759 C GLY A 50 -3.366 2.925 -1.184 1.00 0.00 C ATOM 760 O GLY A 50 -2.899 2.278 -2.130 1.00 0.00 O ATOM 0 H GLY A 50 -4.938 1.393 -2.330 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.270 3.815 -0.817 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.930 2.410 0.172 1.00 0.00 H new ATOM 764 N PHE A 51 -2.654 3.727 -0.448 1.00 0.00 N ATOM 765 CA PHE A 51 -1.237 3.912 -0.660 1.00 0.00 C ATOM 766 C PHE A 51 -0.458 3.486 0.565 1.00 0.00 C ATOM 767 O PHE A 51 -0.889 3.718 1.702 1.00 0.00 O ATOM 768 CB PHE A 51 -0.900 5.365 -1.017 1.00 0.00 C ATOM 769 CG PHE A 51 -1.435 5.821 -2.347 1.00 0.00 C ATOM 770 CD1 PHE A 51 -0.737 5.555 -3.512 1.00 0.00 C ATOM 771 CD2 PHE A 51 -2.626 6.519 -2.432 1.00 0.00 C ATOM 772 CE1 PHE A 51 -1.218 5.974 -4.736 1.00 0.00 C ATOM 773 CE2 PHE A 51 -3.113 6.942 -3.654 1.00 0.00 C ATOM 774 CZ PHE A 51 -2.407 6.668 -4.808 1.00 0.00 C ATOM 0 H PHE A 51 -3.036 4.277 0.322 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.950 3.285 -1.504 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.294 6.018 -0.238 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.183 5.484 -1.015 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.196 5.013 -3.463 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.182 6.736 -1.532 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.663 5.758 -5.637 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -4.044 7.486 -3.706 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.785 6.996 -5.765 1.00 0.00 H new ATOM 784 N VAL A 52 0.659 2.844 0.330 1.00 0.00 N ATOM 785 CA VAL A 52 1.539 2.385 1.387 1.00 0.00 C ATOM 786 C VAL A 52 2.901 2.998 1.145 1.00 0.00 C ATOM 787 O VAL A 52 3.470 2.819 0.084 1.00 0.00 O ATOM 788 CB VAL A 52 1.694 0.842 1.379 1.00 0.00 C ATOM 789 CG1 VAL A 52 2.447 0.370 2.610 1.00 0.00 C ATOM 790 CG2 VAL A 52 0.353 0.151 1.275 1.00 0.00 C ATOM 0 H VAL A 52 0.990 2.621 -0.608 1.00 0.00 H new ATOM 0 HA VAL A 52 1.116 2.679 2.348 1.00 0.00 H new ATOM 0 HB VAL A 52 2.274 0.574 0.496 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.544 -0.715 2.583 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.438 0.823 2.626 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.900 0.663 3.506 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.500 -0.929 1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.267 0.431 2.126 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.141 0.453 0.351 1.00 0.00 H new ATOM 800 N THR A 53 3.394 3.723 2.079 1.00 0.00 N ATOM 801 CA THR A 53 4.648 4.385 1.920 1.00 0.00 C ATOM 802 C THR A 53 5.743 3.725 2.727 1.00 0.00 C ATOM 803 O THR A 53 5.579 3.448 3.905 1.00 0.00 O ATOM 804 CB THR A 53 4.490 5.846 2.280 1.00 0.00 C ATOM 805 OG1 THR A 53 3.409 6.360 1.500 1.00 0.00 O ATOM 806 CG2 THR A 53 5.755 6.633 1.988 1.00 0.00 C ATOM 0 H THR A 53 2.943 3.879 2.981 1.00 0.00 H new ATOM 0 HA THR A 53 4.954 4.308 0.877 1.00 0.00 H new ATOM 0 HB THR A 53 4.292 5.942 3.348 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.585 6.340 2.030 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.604 7.678 2.259 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.581 6.223 2.569 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.989 6.564 0.926 1.00 0.00 H new ATOM 814 N PHE A 54 6.835 3.473 2.069 1.00 0.00 N ATOM 815 CA PHE A 54 7.971 2.807 2.621 1.00 0.00 C ATOM 816 C PHE A 54 9.153 3.734 2.766 1.00 0.00 C ATOM 817 O PHE A 54 9.223 4.787 2.131 1.00 0.00 O ATOM 818 CB PHE A 54 8.366 1.678 1.706 1.00 0.00 C ATOM 819 CG PHE A 54 7.349 0.589 1.625 1.00 0.00 C ATOM 820 CD1 PHE A 54 7.276 -0.382 2.606 1.00 0.00 C ATOM 821 CD2 PHE A 54 6.461 0.536 0.566 1.00 0.00 C ATOM 822 CE1 PHE A 54 6.340 -1.382 2.532 1.00 0.00 C ATOM 823 CE2 PHE A 54 5.523 -0.460 0.488 1.00 0.00 C ATOM 824 CZ PHE A 54 5.462 -1.420 1.472 1.00 0.00 C ATOM 0 H PHE A 54 6.961 3.738 1.092 1.00 0.00 H new ATOM 0 HA PHE A 54 7.696 2.442 3.611 1.00 0.00 H new ATOM 0 HB2 PHE A 54 8.540 2.076 0.706 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.310 1.256 2.050 1.00 0.00 H new ATOM 0 HD1 PHE A 54 7.963 -0.353 3.439 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.507 1.288 -0.208 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.292 -2.137 3.303 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.834 -0.491 -0.343 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.723 -2.206 1.413 1.00 0.00 H new ATOM 834 N LYS A 55 10.084 3.324 3.590 1.00 0.00 N ATOM 835 CA LYS A 55 11.302 4.078 3.823 1.00 0.00 C ATOM 836 C LYS A 55 12.479 3.500 3.023 1.00 0.00 C ATOM 837 O LYS A 55 13.514 4.140 2.860 1.00 0.00 O ATOM 838 CB LYS A 55 11.617 4.049 5.324 1.00 0.00 C ATOM 839 CG LYS A 55 12.891 4.792 5.735 1.00 0.00 C ATOM 840 CD LYS A 55 12.864 6.258 5.321 1.00 0.00 C ATOM 841 CE LYS A 55 14.222 6.901 5.516 1.00 0.00 C ATOM 842 NZ LYS A 55 15.264 6.245 4.687 1.00 0.00 N1+ ATOM 0 H LYS A 55 10.024 2.456 4.122 1.00 0.00 H new ATOM 0 HA LYS A 55 11.153 5.105 3.489 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.774 4.479 5.865 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.703 3.010 5.641 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.016 4.724 6.816 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.755 4.305 5.283 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.566 6.339 4.276 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.117 6.792 5.908 1.00 0.00 H new ATOM 0 HE2 LYS A 55 14.164 7.959 5.258 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.504 6.844 6.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 16.196 6.643 4.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 15.266 5.223 4.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 15.061 6.409 3.680 1.00 0.00 H new ATOM 856 N ASP A 56 12.310 2.314 2.529 1.00 0.00 N ATOM 857 CA ASP A 56 13.412 1.624 1.853 1.00 0.00 C ATOM 858 C ASP A 56 12.990 1.200 0.445 1.00 0.00 C ATOM 859 O ASP A 56 11.811 0.912 0.209 1.00 0.00 O ATOM 860 CB ASP A 56 13.817 0.383 2.675 1.00 0.00 C ATOM 861 CG ASP A 56 15.181 -0.197 2.326 1.00 0.00 C ATOM 862 OD1 ASP A 56 15.441 -0.562 1.148 1.00 0.00 O1- ATOM 863 OD2 ASP A 56 16.033 -0.294 3.220 1.00 0.00 O ATOM 0 H ASP A 56 11.436 1.790 2.570 1.00 0.00 H new ATOM 0 HA ASP A 56 14.262 2.302 1.771 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.810 0.647 3.733 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.062 -0.391 2.534 1.00 0.00 H new ATOM 868 N GLU A 57 13.949 1.158 -0.465 1.00 0.00 N ATOM 869 CA GLU A 57 13.739 0.722 -1.851 1.00 0.00 C ATOM 870 C GLU A 57 13.380 -0.764 -1.863 1.00 0.00 C ATOM 871 O GLU A 57 12.465 -1.197 -2.586 1.00 0.00 O ATOM 872 CB GLU A 57 15.020 0.957 -2.651 1.00 0.00 C ATOM 873 CG GLU A 57 14.874 1.901 -3.834 1.00 0.00 C ATOM 874 CD GLU A 57 14.063 1.342 -4.983 1.00 0.00 C ATOM 875 OE1 GLU A 57 14.342 0.221 -5.419 1.00 0.00 O1- ATOM 876 OE2 GLU A 57 13.138 2.024 -5.470 1.00 0.00 O ATOM 0 H GLU A 57 14.912 1.428 -0.267 1.00 0.00 H new ATOM 0 HA GLU A 57 12.925 1.290 -2.301 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.782 1.354 -1.980 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.385 -0.004 -3.015 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.407 2.824 -3.491 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.867 2.162 -4.199 1.00 0.00 H new ATOM 883 N LYS A 58 14.067 -1.535 -0.993 1.00 0.00 N ATOM 884 CA LYS A 58 13.816 -2.962 -0.844 1.00 0.00 C ATOM 885 C LYS A 58 12.407 -3.113 -0.398 1.00 0.00 C ATOM 886 O LYS A 58 11.650 -3.858 -0.977 1.00 0.00 O ATOM 887 CB LYS A 58 14.799 -3.589 0.213 1.00 0.00 C ATOM 888 CG LYS A 58 14.651 -5.120 0.543 1.00 0.00 C ATOM 889 CD LYS A 58 13.378 -5.470 1.363 1.00 0.00 C ATOM 890 CE LYS A 58 13.316 -6.949 1.761 1.00 0.00 C ATOM 891 NZ LYS A 58 12.033 -7.302 2.453 1.00 0.00 N1+ ATOM 0 H LYS A 58 14.803 -1.178 -0.384 1.00 0.00 H new ATOM 0 HA LYS A 58 13.980 -3.482 -1.788 1.00 0.00 H new ATOM 0 HB2 LYS A 58 15.817 -3.420 -0.137 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.686 -3.034 1.144 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.635 -5.682 -0.391 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.530 -5.448 1.098 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.350 -4.855 2.262 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.494 -5.219 0.777 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.427 -7.567 0.870 1.00 0.00 H new ATOM 0 HE3 LYS A 58 14.155 -7.181 2.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.243 -7.724 3.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.462 -6.443 2.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.503 -7.985 1.874 1.00 0.00 H new ATOM 905 N ALA A 59 12.062 -2.330 0.607 1.00 0.00 N ATOM 906 CA ALA A 59 10.766 -2.378 1.231 1.00 0.00 C ATOM 907 C ALA A 59 9.659 -2.170 0.224 1.00 0.00 C ATOM 908 O ALA A 59 8.693 -2.900 0.232 1.00 0.00 O ATOM 909 CB ALA A 59 10.679 -1.351 2.338 1.00 0.00 C ATOM 0 H ALA A 59 12.688 -1.635 1.014 1.00 0.00 H new ATOM 0 HA ALA A 59 10.637 -3.371 1.661 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.694 -1.398 2.801 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.443 -1.558 3.088 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.838 -0.355 1.924 1.00 0.00 H new ATOM 915 N MET A 60 9.830 -1.212 -0.679 1.00 0.00 N ATOM 916 CA MET A 60 8.788 -0.941 -1.645 1.00 0.00 C ATOM 917 C MET A 60 8.693 -2.043 -2.700 1.00 0.00 C ATOM 918 O MET A 60 7.614 -2.509 -3.008 1.00 0.00 O ATOM 919 CB MET A 60 8.979 0.415 -2.321 1.00 0.00 C ATOM 920 CG MET A 60 7.856 0.765 -3.301 1.00 0.00 C ATOM 921 SD MET A 60 8.129 2.309 -4.192 1.00 0.00 S ATOM 922 CE MET A 60 9.666 1.916 -5.029 1.00 0.00 C ATOM 0 H MET A 60 10.661 -0.626 -0.758 1.00 0.00 H new ATOM 0 HA MET A 60 7.851 -0.917 -1.089 1.00 0.00 H new ATOM 0 HB2 MET A 60 9.039 1.189 -1.556 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.930 0.418 -2.853 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.748 -0.046 -4.021 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.916 0.833 -2.754 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.783 2.563 -5.898 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.502 2.071 -4.347 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.649 0.875 -5.351 1.00 0.00 H new ATOM 932 N ARG A 61 9.821 -2.480 -3.223 1.00 0.00 N ATOM 933 CA ARG A 61 9.796 -3.446 -4.322 1.00 0.00 C ATOM 934 C ARG A 61 9.491 -4.837 -3.879 1.00 0.00 C ATOM 935 O ARG A 61 8.767 -5.541 -4.537 1.00 0.00 O ATOM 936 CB ARG A 61 11.052 -3.390 -5.139 1.00 0.00 C ATOM 937 CG ARG A 61 11.253 -2.020 -5.668 1.00 0.00 C ATOM 938 CD ARG A 61 12.264 -1.939 -6.756 1.00 0.00 C ATOM 939 NE ARG A 61 12.448 -0.550 -7.074 1.00 0.00 N ATOM 940 CZ ARG A 61 11.627 0.182 -7.820 1.00 0.00 C ATOM 941 NH1 ARG A 61 10.737 -0.410 -8.636 1.00 0.00 N1+ ATOM 942 NH2 ARG A 61 11.700 1.496 -7.740 1.00 0.00 N ATOM 0 H ARG A 61 10.752 -2.194 -2.919 1.00 0.00 H new ATOM 0 HA ARG A 61 8.967 -3.146 -4.963 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.906 -3.682 -4.528 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.992 -4.101 -5.963 1.00 0.00 H new ATOM 0 HG2 ARG A 61 10.301 -1.641 -6.040 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.559 -1.366 -4.851 1.00 0.00 H new ATOM 0 HD2 ARG A 61 13.205 -2.387 -6.438 1.00 0.00 H new ATOM 0 HD3 ARG A 61 11.928 -2.492 -7.633 1.00 0.00 H new ATOM 0 HE ARG A 61 13.276 -0.088 -6.697 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.689 -1.428 -8.685 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.110 0.159 -9.205 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.377 1.932 -7.114 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.079 2.077 -8.304 1.00 0.00 H new ATOM 956 N ASP A 62 10.002 -5.204 -2.743 1.00 0.00 N ATOM 957 CA ASP A 62 9.750 -6.526 -2.157 1.00 0.00 C ATOM 958 C ASP A 62 8.269 -6.648 -1.814 1.00 0.00 C ATOM 959 O ASP A 62 7.669 -7.717 -1.918 1.00 0.00 O ATOM 960 CB ASP A 62 10.627 -6.689 -0.923 1.00 0.00 C ATOM 961 CG ASP A 62 10.477 -7.989 -0.188 1.00 0.00 C ATOM 962 OD1 ASP A 62 10.947 -9.004 -0.673 1.00 0.00 O1- ATOM 963 OD2 ASP A 62 9.997 -7.949 0.969 1.00 0.00 O ATOM 0 H ASP A 62 10.609 -4.609 -2.180 1.00 0.00 H new ATOM 0 HA ASP A 62 9.998 -7.318 -2.863 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.669 -6.580 -1.223 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.407 -5.875 -0.233 1.00 0.00 H new ATOM 968 N ALA A 63 7.669 -5.499 -1.501 1.00 0.00 N ATOM 969 CA ALA A 63 6.253 -5.408 -1.220 1.00 0.00 C ATOM 970 C ALA A 63 5.472 -5.644 -2.487 1.00 0.00 C ATOM 971 O ALA A 63 4.387 -6.171 -2.466 1.00 0.00 O ATOM 972 CB ALA A 63 5.920 -4.038 -0.686 1.00 0.00 C ATOM 0 H ALA A 63 8.161 -4.608 -1.437 1.00 0.00 H new ATOM 0 HA ALA A 63 5.991 -6.161 -0.476 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.852 -3.979 -0.477 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.480 -3.859 0.232 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.187 -3.284 -1.426 1.00 0.00 H new ATOM 978 N ILE A 64 6.037 -5.245 -3.582 1.00 0.00 N ATOM 979 CA ILE A 64 5.411 -5.423 -4.853 1.00 0.00 C ATOM 980 C ILE A 64 5.523 -6.879 -5.272 1.00 0.00 C ATOM 981 O ILE A 64 4.513 -7.552 -5.419 1.00 0.00 O ATOM 982 CB ILE A 64 6.030 -4.466 -5.909 1.00 0.00 C ATOM 983 CG1 ILE A 64 5.764 -3.016 -5.476 1.00 0.00 C ATOM 984 CG2 ILE A 64 5.453 -4.732 -7.301 1.00 0.00 C ATOM 985 CD1 ILE A 64 6.494 -1.966 -6.268 1.00 0.00 C ATOM 0 H ILE A 64 6.947 -4.786 -3.620 1.00 0.00 H new ATOM 0 HA ILE A 64 4.353 -5.170 -4.777 1.00 0.00 H new ATOM 0 HB ILE A 64 7.104 -4.640 -5.968 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.694 -2.823 -5.547 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.037 -2.911 -4.426 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.905 -4.047 -8.019 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.669 -5.759 -7.594 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.374 -4.579 -7.283 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.239 -0.978 -5.884 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.569 -2.124 -6.178 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.204 -2.034 -7.317 1.00 0.00 H new ATOM 997 N GLU A 65 6.737 -7.380 -5.328 1.00 0.00 N ATOM 998 CA GLU A 65 7.010 -8.727 -5.788 1.00 0.00 C ATOM 999 C GLU A 65 6.307 -9.795 -4.925 1.00 0.00 C ATOM 1000 O GLU A 65 5.831 -10.805 -5.440 1.00 0.00 O ATOM 1001 CB GLU A 65 8.518 -8.988 -5.790 1.00 0.00 C ATOM 1002 CG GLU A 65 9.364 -7.924 -6.489 1.00 0.00 C ATOM 1003 CD GLU A 65 8.919 -7.623 -7.902 1.00 0.00 C ATOM 1004 OE1 GLU A 65 9.235 -8.412 -8.805 1.00 0.00 O ATOM 1005 OE2 GLU A 65 8.279 -6.574 -8.102 1.00 0.00 O1- ATOM 0 H GLU A 65 7.571 -6.861 -5.054 1.00 0.00 H new ATOM 0 HA GLU A 65 6.615 -8.804 -6.801 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.856 -9.077 -4.758 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.703 -9.949 -6.270 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.331 -7.005 -5.904 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.403 -8.253 -6.507 1.00 0.00 H new ATOM 1012 N GLY A 66 6.230 -9.563 -3.624 1.00 0.00 N ATOM 1013 CA GLY A 66 5.658 -10.559 -2.749 1.00 0.00 C ATOM 1014 C GLY A 66 4.201 -10.332 -2.369 1.00 0.00 C ATOM 1015 O GLY A 66 3.613 -11.170 -1.699 1.00 0.00 O ATOM 0 H GLY A 66 6.550 -8.711 -3.163 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.743 -11.533 -3.230 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.252 -10.601 -1.836 1.00 0.00 H new ATOM 1019 N MET A 67 3.615 -9.211 -2.748 1.00 0.00 N ATOM 1020 CA MET A 67 2.217 -8.950 -2.352 1.00 0.00 C ATOM 1021 C MET A 67 1.308 -8.750 -3.582 1.00 0.00 C ATOM 1022 O MET A 67 0.083 -8.868 -3.488 1.00 0.00 O ATOM 1023 CB MET A 67 2.155 -7.716 -1.441 1.00 0.00 C ATOM 1024 CG MET A 67 0.880 -7.518 -0.637 1.00 0.00 C ATOM 1025 SD MET A 67 0.695 -8.707 0.711 1.00 0.00 S ATOM 1026 CE MET A 67 -0.752 -8.070 1.556 1.00 0.00 C ATOM 0 H MET A 67 4.054 -8.482 -3.310 1.00 0.00 H new ATOM 0 HA MET A 67 1.852 -9.821 -1.808 1.00 0.00 H new ATOM 0 HB2 MET A 67 2.991 -7.767 -0.744 1.00 0.00 H new ATOM 0 HB3 MET A 67 2.308 -6.831 -2.058 1.00 0.00 H new ATOM 0 HG2 MET A 67 0.871 -6.509 -0.226 1.00 0.00 H new ATOM 0 HG3 MET A 67 0.022 -7.599 -1.304 1.00 0.00 H new ATOM 0 HE1 MET A 67 -0.707 -8.343 2.610 1.00 0.00 H new ATOM 0 HE2 MET A 67 -0.779 -6.984 1.463 1.00 0.00 H new ATOM 0 HE3 MET A 67 -1.651 -8.495 1.109 1.00 0.00 H new ATOM 1036 N ASN A 68 1.901 -8.430 -4.722 1.00 0.00 N ATOM 1037 CA ASN A 68 1.128 -8.156 -5.945 1.00 0.00 C ATOM 1038 C ASN A 68 0.559 -9.435 -6.536 1.00 0.00 C ATOM 1039 O ASN A 68 1.307 -10.343 -6.886 1.00 0.00 O ATOM 1040 CB ASN A 68 2.006 -7.471 -7.005 1.00 0.00 C ATOM 1041 CG ASN A 68 1.252 -7.064 -8.258 1.00 0.00 C ATOM 1042 OD1 ASN A 68 0.075 -6.718 -8.209 1.00 0.00 O ATOM 1043 ND2 ASN A 68 1.926 -7.088 -9.383 1.00 0.00 N ATOM 0 H ASN A 68 2.912 -8.351 -4.836 1.00 0.00 H new ATOM 0 HA ASN A 68 0.309 -7.495 -5.664 1.00 0.00 H new ATOM 0 HB2 ASN A 68 2.465 -6.586 -6.565 1.00 0.00 H new ATOM 0 HB3 ASN A 68 2.816 -8.145 -7.283 1.00 0.00 H new ATOM 0 HD21 ASN A 68 1.473 -6.813 -10.255 1.00 0.00 H new ATOM 0 HD22 ASN A 68 2.903 -7.381 -9.386 1.00 0.00 H new ATOM 1050 N GLY A 69 -0.749 -9.509 -6.633 1.00 0.00 N ATOM 1051 CA GLY A 69 -1.369 -10.646 -7.261 1.00 0.00 C ATOM 1052 C GLY A 69 -1.927 -11.649 -6.285 1.00 0.00 C ATOM 1053 O GLY A 69 -2.528 -12.649 -6.694 1.00 0.00 O ATOM 0 H GLY A 69 -1.397 -8.801 -6.288 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.173 -10.298 -7.910 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -0.637 -11.142 -7.899 1.00 0.00 H new ATOM 1057 N GLN A 70 -1.751 -11.412 -5.005 1.00 0.00 N ATOM 1058 CA GLN A 70 -2.279 -12.334 -4.023 1.00 0.00 C ATOM 1059 C GLN A 70 -3.536 -11.800 -3.347 1.00 0.00 C ATOM 1060 O GLN A 70 -4.029 -10.715 -3.689 1.00 0.00 O ATOM 1061 CB GLN A 70 -1.226 -12.807 -3.015 1.00 0.00 C ATOM 1062 CG GLN A 70 -0.527 -11.725 -2.236 1.00 0.00 C ATOM 1063 CD GLN A 70 0.403 -12.315 -1.199 1.00 0.00 C ATOM 1064 OE1 GLN A 70 0.926 -13.408 -1.364 1.00 0.00 O ATOM 1065 NE2 GLN A 70 0.617 -11.609 -0.136 1.00 0.00 N ATOM 0 H GLN A 70 -1.257 -10.606 -4.624 1.00 0.00 H new ATOM 0 HA GLN A 70 -2.577 -13.224 -4.577 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.706 -13.484 -2.308 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -0.474 -13.386 -3.550 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.039 -11.090 -2.917 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -1.265 -11.090 -1.747 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.166 -10.701 -0.028 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.237 -11.961 0.594 1.00 0.00 H new ATOM 1074 N ASP A 71 -4.049 -12.568 -2.407 1.00 0.00 N ATOM 1075 CA ASP A 71 -5.320 -12.273 -1.762 1.00 0.00 C ATOM 1076 C ASP A 71 -5.133 -11.516 -0.462 1.00 0.00 C ATOM 1077 O ASP A 71 -4.138 -11.707 0.252 1.00 0.00 O ATOM 1078 CB ASP A 71 -6.085 -13.583 -1.471 1.00 0.00 C ATOM 1079 CG ASP A 71 -7.488 -13.358 -0.895 1.00 0.00 C ATOM 1080 OD1 ASP A 71 -7.635 -13.173 0.345 1.00 0.00 O1- ATOM 1081 OD2 ASP A 71 -8.443 -13.362 -1.674 1.00 0.00 O ATOM 0 H ASP A 71 -3.598 -13.417 -2.066 1.00 0.00 H new ATOM 0 HA ASP A 71 -5.890 -11.646 -2.447 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.168 -14.158 -2.393 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.506 -14.185 -0.771 1.00 0.00 H new ATOM 1086 N LEU A 72 -6.056 -10.633 -0.203 1.00 0.00 N ATOM 1087 CA LEU A 72 -6.183 -9.968 1.052 1.00 0.00 C ATOM 1088 C LEU A 72 -7.665 -9.789 1.319 1.00 0.00 C ATOM 1089 O LEU A 72 -8.323 -8.962 0.682 1.00 0.00 O ATOM 1090 CB LEU A 72 -5.449 -8.613 1.056 1.00 0.00 C ATOM 1091 CG LEU A 72 -5.551 -7.783 2.355 1.00 0.00 C ATOM 1092 CD1 LEU A 72 -5.078 -8.588 3.560 1.00 0.00 C ATOM 1093 CD2 LEU A 72 -4.746 -6.493 2.233 1.00 0.00 C ATOM 0 H LEU A 72 -6.760 -10.351 -0.885 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.721 -10.564 1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.395 -8.795 0.848 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.837 -8.011 0.234 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.600 -7.528 2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.161 -7.979 4.460 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.696 -9.480 3.667 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.038 -8.882 3.416 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.831 -5.923 3.158 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.699 -6.734 2.049 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.133 -5.900 1.404 1.00 0.00 H new ATOM 1105 N ASP A 73 -8.164 -10.582 2.255 1.00 0.00 N ATOM 1106 CA ASP A 73 -9.580 -10.618 2.653 1.00 0.00 C ATOM 1107 C ASP A 73 -10.502 -10.884 1.452 1.00 0.00 C ATOM 1108 O ASP A 73 -11.321 -10.046 1.073 1.00 0.00 O ATOM 1109 CB ASP A 73 -10.022 -9.368 3.485 1.00 0.00 C ATOM 1110 CG ASP A 73 -11.520 -9.366 3.872 1.00 0.00 C ATOM 1111 OD1 ASP A 73 -11.917 -10.150 4.737 1.00 0.00 O1- ATOM 1112 OD2 ASP A 73 -12.306 -8.555 3.280 1.00 0.00 O ATOM 0 H ASP A 73 -7.587 -11.240 2.779 1.00 0.00 H new ATOM 0 HA ASP A 73 -9.685 -11.465 3.331 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.423 -9.319 4.394 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.805 -8.467 2.911 1.00 0.00 H new ATOM 1117 N GLY A 74 -10.246 -11.995 0.761 1.00 0.00 N ATOM 1118 CA GLY A 74 -11.116 -12.438 -0.331 1.00 0.00 C ATOM 1119 C GLY A 74 -11.087 -11.485 -1.506 1.00 0.00 C ATOM 1120 O GLY A 74 -12.065 -11.364 -2.266 1.00 0.00 O ATOM 0 H GLY A 74 -9.446 -12.603 0.936 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.806 -13.429 -0.661 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.138 -12.530 0.035 1.00 0.00 H new ATOM 1124 N ARG A 75 -9.990 -10.804 -1.641 1.00 0.00 N ATOM 1125 CA ARG A 75 -9.796 -9.814 -2.650 1.00 0.00 C ATOM 1126 C ARG A 75 -8.419 -9.960 -3.206 1.00 0.00 C ATOM 1127 O ARG A 75 -7.507 -10.342 -2.499 1.00 0.00 O ATOM 1128 CB ARG A 75 -9.951 -8.416 -2.074 1.00 0.00 C ATOM 1129 CG ARG A 75 -11.118 -7.626 -2.629 1.00 0.00 C ATOM 1130 CD ARG A 75 -12.475 -8.236 -2.265 1.00 0.00 C ATOM 1131 NE ARG A 75 -12.661 -8.440 -0.806 1.00 0.00 N ATOM 1132 CZ ARG A 75 -13.839 -8.551 -0.174 1.00 0.00 C ATOM 1133 NH1 ARG A 75 -14.983 -8.409 -0.858 1.00 0.00 N1+ ATOM 1134 NH2 ARG A 75 -13.877 -8.802 1.138 1.00 0.00 N ATOM 0 H ARG A 75 -9.181 -10.928 -1.032 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.545 -9.954 -3.430 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -10.065 -8.494 -0.993 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.033 -7.859 -2.258 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.071 -6.604 -2.252 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.029 -7.570 -3.714 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.268 -7.587 -2.637 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.582 -9.194 -2.774 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.819 -8.501 -0.234 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -14.958 -8.217 -1.859 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -15.879 -8.493 -0.377 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.009 -8.910 1.662 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.774 -8.886 1.615 1.00 0.00 H new ATOM 1148 N ASN A 76 -8.257 -9.616 -4.435 1.00 0.00 N ATOM 1149 CA ASN A 76 -6.968 -9.762 -5.078 1.00 0.00 C ATOM 1150 C ASN A 76 -6.397 -8.400 -5.265 1.00 0.00 C ATOM 1151 O ASN A 76 -7.018 -7.538 -5.891 1.00 0.00 O ATOM 1152 CB ASN A 76 -7.086 -10.508 -6.408 1.00 0.00 C ATOM 1153 CG ASN A 76 -5.732 -10.886 -6.979 1.00 0.00 C ATOM 1154 OD1 ASN A 76 -5.128 -10.145 -7.736 1.00 0.00 O ATOM 1155 ND2 ASN A 76 -5.256 -12.055 -6.617 1.00 0.00 N ATOM 0 H ASN A 76 -8.992 -9.230 -5.028 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.306 -10.361 -4.453 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -7.682 -11.409 -6.265 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -7.619 -9.884 -7.126 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -4.353 -12.370 -6.971 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -5.790 -12.648 -5.982 1.00 0.00 H new ATOM 1162 N ILE A 77 -5.250 -8.195 -4.709 1.00 0.00 N ATOM 1163 CA ILE A 77 -4.664 -6.893 -4.675 1.00 0.00 C ATOM 1164 C ILE A 77 -3.554 -6.696 -5.697 1.00 0.00 C ATOM 1165 O ILE A 77 -2.725 -7.586 -5.943 1.00 0.00 O ATOM 1166 CB ILE A 77 -4.145 -6.556 -3.270 1.00 0.00 C ATOM 1167 CG1 ILE A 77 -3.260 -7.684 -2.750 1.00 0.00 C ATOM 1168 CG2 ILE A 77 -5.311 -6.321 -2.321 1.00 0.00 C ATOM 1169 CD1 ILE A 77 -2.524 -7.332 -1.504 1.00 0.00 C ATOM 0 H ILE A 77 -4.691 -8.924 -4.265 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.467 -6.206 -4.943 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.551 -5.644 -3.326 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.877 -8.563 -2.563 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.541 -7.958 -3.523 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.930 -6.083 -1.328 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.916 -5.491 -2.686 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.924 -7.221 -2.268 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.914 -8.179 -1.190 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.881 -6.472 -1.692 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -3.237 -7.087 -0.717 1.00 0.00 H new ATOM 1181 N THR A 78 -3.546 -5.526 -6.265 1.00 0.00 N ATOM 1182 CA THR A 78 -2.559 -5.106 -7.215 1.00 0.00 C ATOM 1183 C THR A 78 -1.625 -4.129 -6.510 1.00 0.00 C ATOM 1184 O THR A 78 -2.077 -3.115 -5.966 1.00 0.00 O ATOM 1185 CB THR A 78 -3.235 -4.401 -8.406 1.00 0.00 C ATOM 1186 OG1 THR A 78 -4.257 -5.258 -8.935 1.00 0.00 O ATOM 1187 CG2 THR A 78 -2.220 -4.080 -9.506 1.00 0.00 C ATOM 0 H THR A 78 -4.251 -4.814 -6.073 1.00 0.00 H new ATOM 0 HA THR A 78 -2.008 -5.968 -7.592 1.00 0.00 H new ATOM 0 HB THR A 78 -3.667 -3.463 -8.058 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.694 -4.817 -9.693 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.726 -3.583 -10.334 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.446 -3.424 -9.107 1.00 0.00 H new ATOM 0 HG23 THR A 78 -1.764 -5.004 -9.862 1.00 0.00 H new ATOM 1195 N VAL A 79 -0.358 -4.445 -6.495 1.00 0.00 N ATOM 1196 CA VAL A 79 0.638 -3.651 -5.802 1.00 0.00 C ATOM 1197 C VAL A 79 1.718 -3.226 -6.802 1.00 0.00 C ATOM 1198 O VAL A 79 2.266 -4.069 -7.500 1.00 0.00 O ATOM 1199 CB VAL A 79 1.304 -4.487 -4.649 1.00 0.00 C ATOM 1200 CG1 VAL A 79 2.298 -3.661 -3.863 1.00 0.00 C ATOM 1201 CG2 VAL A 79 0.263 -5.083 -3.710 1.00 0.00 C ATOM 0 H VAL A 79 0.022 -5.266 -6.965 1.00 0.00 H new ATOM 0 HA VAL A 79 0.156 -2.775 -5.368 1.00 0.00 H new ATOM 0 HB VAL A 79 1.840 -5.306 -5.129 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.737 -4.273 -3.075 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.085 -3.308 -4.529 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.789 -2.806 -3.417 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.763 -5.653 -2.927 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.321 -4.281 -3.258 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.399 -5.742 -4.272 1.00 0.00 H new ATOM 1211 N ASN A 80 1.972 -1.933 -6.905 1.00 0.00 N ATOM 1212 CA ASN A 80 3.037 -1.408 -7.781 1.00 0.00 C ATOM 1213 C ASN A 80 3.494 -0.057 -7.250 1.00 0.00 C ATOM 1214 O ASN A 80 2.883 0.462 -6.310 1.00 0.00 O ATOM 1215 CB ASN A 80 2.586 -1.307 -9.265 1.00 0.00 C ATOM 1216 CG ASN A 80 1.536 -0.236 -9.562 1.00 0.00 C ATOM 1217 OD1 ASN A 80 0.744 0.149 -8.724 1.00 0.00 O ATOM 1218 ND2 ASN A 80 1.509 0.220 -10.788 1.00 0.00 N ATOM 0 H ASN A 80 1.459 -1.214 -6.395 1.00 0.00 H new ATOM 0 HA ASN A 80 3.872 -2.108 -7.767 1.00 0.00 H new ATOM 0 HB2 ASN A 80 3.464 -1.111 -9.881 1.00 0.00 H new ATOM 0 HB3 ASN A 80 2.190 -2.275 -9.573 1.00 0.00 H new ATOM 0 HD21 ASN A 80 0.813 0.914 -11.059 1.00 0.00 H new ATOM 0 HD22 ASN A 80 2.184 -0.119 -11.473 1.00 0.00 H new ATOM 1225 N GLU A 81 4.560 0.512 -7.795 1.00 0.00 N ATOM 1226 CA GLU A 81 5.077 1.770 -7.278 1.00 0.00 C ATOM 1227 C GLU A 81 4.156 2.910 -7.551 1.00 0.00 C ATOM 1228 O GLU A 81 3.412 2.929 -8.538 1.00 0.00 O ATOM 1229 CB GLU A 81 6.438 2.174 -7.825 1.00 0.00 C ATOM 1230 CG GLU A 81 7.461 1.101 -7.870 1.00 0.00 C ATOM 1231 CD GLU A 81 7.487 0.420 -9.217 1.00 0.00 C ATOM 1232 OE1 GLU A 81 6.432 -0.088 -9.649 1.00 0.00 O ATOM 1233 OE2 GLU A 81 8.565 0.429 -9.866 1.00 0.00 O1- ATOM 0 H GLU A 81 5.078 0.128 -8.585 1.00 0.00 H new ATOM 0 HA GLU A 81 5.170 1.573 -6.210 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.302 2.563 -8.834 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.824 2.993 -7.218 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.443 1.523 -7.655 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.253 0.365 -7.093 1.00 0.00 H new ATOM 1240 N ALA A 82 4.230 3.852 -6.690 1.00 0.00 N ATOM 1241 CA ALA A 82 3.507 5.093 -6.799 1.00 0.00 C ATOM 1242 C ALA A 82 4.532 6.210 -6.663 1.00 0.00 C ATOM 1243 O ALA A 82 4.223 7.346 -6.314 1.00 0.00 O ATOM 1244 CB ALA A 82 2.460 5.169 -5.709 1.00 0.00 C ATOM 0 H ALA A 82 4.812 3.794 -5.854 1.00 0.00 H new ATOM 0 HA ALA A 82 2.986 5.177 -7.753 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.914 6.109 -5.794 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.765 4.335 -5.813 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.945 5.118 -4.734 1.00 0.00 H new ATOM 1250 N GLN A 83 5.758 5.841 -6.964 1.00 0.00 N ATOM 1251 CA GLN A 83 6.910 6.690 -6.880 1.00 0.00 C ATOM 1252 C GLN A 83 7.860 6.195 -8.003 1.00 0.00 C ATOM 1253 O GLN A 83 7.362 5.634 -8.988 1.00 0.00 O ATOM 1254 CB GLN A 83 7.514 6.527 -5.457 1.00 0.00 C ATOM 1255 CG GLN A 83 8.523 7.601 -5.025 1.00 0.00 C ATOM 1256 CD GLN A 83 7.975 9.026 -5.058 1.00 0.00 C ATOM 1257 OE1 GLN A 83 8.714 9.964 -5.285 1.00 0.00 O ATOM 1258 NE2 GLN A 83 6.691 9.196 -4.847 1.00 0.00 N ATOM 0 H GLN A 83 5.981 4.899 -7.287 1.00 0.00 H new ATOM 0 HA GLN A 83 6.704 7.751 -7.019 1.00 0.00 H new ATOM 0 HB2 GLN A 83 6.696 6.515 -4.736 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.003 5.554 -5.401 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.863 7.378 -4.014 1.00 0.00 H new ATOM 0 HG3 GLN A 83 9.397 7.545 -5.675 1.00 0.00 H new ATOM 0 HE21 GLN A 83 6.094 8.391 -4.659 1.00 0.00 H new ATOM 0 HE22 GLN A 83 6.290 10.134 -4.871 1.00 0.00 H new ATOM 1267 N SER A 84 9.164 6.404 -7.866 1.00 0.00 N ATOM 1268 CA SER A 84 10.180 6.011 -8.839 1.00 0.00 C ATOM 1269 C SER A 84 10.001 4.558 -9.343 1.00 0.00 C ATOM 1270 O SER A 84 10.131 3.598 -8.583 1.00 0.00 O ATOM 1271 CB SER A 84 11.540 6.157 -8.167 1.00 0.00 C ATOM 1272 OG SER A 84 11.619 7.412 -7.498 1.00 0.00 O ATOM 0 H SER A 84 9.558 6.867 -7.047 1.00 0.00 H new ATOM 0 HA SER A 84 10.089 6.654 -9.715 1.00 0.00 H new ATOM 0 HB2 SER A 84 11.692 5.346 -7.455 1.00 0.00 H new ATOM 0 HB3 SER A 84 12.333 6.081 -8.911 1.00 0.00 H new ATOM 0 HG SER A 84 12.495 7.498 -7.067 1.00 0.00 H new ATOM 1278 N ARG A 85 9.695 4.425 -10.616 1.00 0.00 N ATOM 1279 CA ARG A 85 9.514 3.118 -11.245 1.00 0.00 C ATOM 1280 C ARG A 85 10.716 2.778 -12.099 1.00 0.00 C ATOM 1281 O ARG A 85 11.449 3.688 -12.511 1.00 0.00 O ATOM 1282 CB ARG A 85 8.237 3.091 -12.095 1.00 0.00 C ATOM 1283 CG ARG A 85 6.968 3.193 -11.278 1.00 0.00 C ATOM 1284 CD ARG A 85 5.724 3.202 -12.140 1.00 0.00 C ATOM 1285 NE ARG A 85 4.499 3.260 -11.319 1.00 0.00 N ATOM 1286 CZ ARG A 85 3.332 3.814 -11.678 1.00 0.00 C ATOM 1287 NH1 ARG A 85 3.193 4.377 -12.886 1.00 0.00 N1+ ATOM 1288 NH2 ARG A 85 2.309 3.808 -10.821 1.00 0.00 N ATOM 0 H ARG A 85 9.563 5.213 -11.250 1.00 0.00 H new ATOM 0 HA ARG A 85 9.416 2.371 -10.457 1.00 0.00 H new ATOM 0 HB2 ARG A 85 8.267 3.914 -12.809 1.00 0.00 H new ATOM 0 HB3 ARG A 85 8.214 2.168 -12.674 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.919 2.355 -10.583 1.00 0.00 H new ATOM 0 HG3 ARG A 85 6.998 4.103 -10.679 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.753 4.058 -12.814 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.704 2.307 -12.762 1.00 0.00 H new ATOM 0 HE ARG A 85 4.544 2.839 -10.391 1.00 0.00 H new ATOM 0 HH11 ARG A 85 3.977 4.386 -13.538 1.00 0.00 H new ATOM 0 HH12 ARG A 85 2.303 4.797 -13.154 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.418 3.384 -9.900 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.418 4.228 -11.087 1.00 0.00 H new TER 1302 ARG A 85