USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 384 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 684 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 685 HIS : no HD1:sc= -0.0537 K(o=-0.054,f=-0.79) USER MOD Single : A 686 GLN : amide:sc= -0.644 K(o=-0.64,f=0) USER MOD Single : A 687 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 697 SER OG : rot 5:sc= 0.705 USER MOD Single : A 698 ASN : amide:sc= -0.167 X(o=-0.17,f=-0.4) USER MOD Single : A 699 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 706 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 714 THR OG1 : rot 56:sc= 1.32 USER MOD Single : A 719 THR OG1 : rot 180:sc= 0 USER MOD Single : A 722 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 724 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.294) USER MOD Single : A 725 LYS NZ :NH3+ 164:sc=-0.00256 (180deg=-0.133) USER MOD Single : A 726 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 727 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 728 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 683 60.379 4.144 -27.298 1.00 0.00 N ATOM 2 CA VAL A 683 61.018 4.231 -25.991 1.00 0.00 C ATOM 3 C VAL A 683 60.741 2.971 -25.173 1.00 0.00 C ATOM 4 O VAL A 683 60.472 3.045 -23.972 1.00 0.00 O ATOM 5 CB VAL A 683 60.506 5.468 -25.237 1.00 0.00 C ATOM 6 CG1 VAL A 683 60.974 6.736 -25.958 1.00 0.00 C ATOM 7 CG2 VAL A 683 58.975 5.446 -25.186 1.00 0.00 C ATOM 0 HA VAL A 683 62.094 4.321 -26.137 1.00 0.00 H new ATOM 0 HB VAL A 683 60.901 5.459 -24.221 1.00 0.00 H new ATOM 0 HG11 VAL A 683 60.611 7.614 -25.423 1.00 0.00 H new ATOM 0 HG12 VAL A 683 62.063 6.755 -25.990 1.00 0.00 H new ATOM 0 HG13 VAL A 683 60.581 6.742 -26.975 1.00 0.00 H new ATOM 0 HG21 VAL A 683 58.616 6.325 -24.650 1.00 0.00 H new ATOM 0 HG22 VAL A 683 58.577 5.452 -26.201 1.00 0.00 H new ATOM 0 HG23 VAL A 683 58.641 4.546 -24.670 1.00 0.00 H new ATOM 16 N HIS A 684 60.991 1.816 -25.788 1.00 0.00 N ATOM 17 CA HIS A 684 60.768 0.536 -25.121 1.00 0.00 C ATOM 18 C HIS A 684 61.621 0.432 -23.860 1.00 0.00 C ATOM 19 O HIS A 684 61.158 -0.058 -22.829 1.00 0.00 O ATOM 20 CB HIS A 684 61.118 -0.614 -26.073 1.00 0.00 C ATOM 21 CG HIS A 684 60.144 -1.744 -25.880 1.00 0.00 C ATOM 22 ND1 HIS A 684 58.872 -1.722 -26.431 1.00 0.00 N ATOM 23 CD2 HIS A 684 60.282 -2.985 -25.309 1.00 0.00 C ATOM 24 CE1 HIS A 684 58.268 -2.877 -26.102 1.00 0.00 C ATOM 25 NE2 HIS A 684 59.094 -3.697 -25.447 1.00 0.00 N ATOM 0 H HIS A 684 61.346 1.741 -26.741 1.00 0.00 H new ATOM 0 HA HIS A 684 59.717 0.471 -24.840 1.00 0.00 H new ATOM 0 HB2 HIS A 684 61.087 -0.267 -27.106 1.00 0.00 H new ATOM 0 HB3 HIS A 684 62.134 -0.960 -25.883 1.00 0.00 H new ATOM 0 HD2 HIS A 684 61.176 -3.352 -24.827 1.00 0.00 H new ATOM 0 HE1 HIS A 684 57.241 -3.113 -26.338 1.00 0.00 H new ATOM 0 HE2 HIS A 684 58.897 -4.642 -25.118 1.00 0.00 H new ATOM 33 N HIS A 685 62.788 1.068 -23.900 1.00 0.00 N ATOM 34 CA HIS A 685 63.678 1.098 -22.744 1.00 0.00 C ATOM 35 C HIS A 685 63.150 2.062 -21.685 1.00 0.00 C ATOM 36 O HIS A 685 62.794 3.201 -21.993 1.00 0.00 O ATOM 37 CB HIS A 685 65.085 1.533 -23.172 1.00 0.00 C ATOM 38 CG HIS A 685 65.395 0.984 -24.540 1.00 0.00 C ATOM 39 ND1 HIS A 685 65.253 1.750 -25.686 1.00 0.00 N ATOM 40 CD2 HIS A 685 65.649 -0.292 -24.976 1.00 0.00 C ATOM 41 CE1 HIS A 685 65.570 0.969 -26.735 1.00 0.00 C ATOM 42 NE2 HIS A 685 65.785 -0.294 -26.362 1.00 0.00 N ATOM 0 H HIS A 685 63.139 1.568 -24.717 1.00 0.00 H new ATOM 0 HA HIS A 685 63.721 0.094 -22.321 1.00 0.00 H new ATOM 0 HB2 HIS A 685 65.152 2.621 -23.183 1.00 0.00 H new ATOM 0 HB3 HIS A 685 65.821 1.176 -22.452 1.00 0.00 H new ATOM 0 HD2 HIS A 685 65.731 -1.162 -24.341 1.00 0.00 H new ATOM 0 HE1 HIS A 685 65.642 1.321 -27.753 1.00 0.00 H new ATOM 0 HE2 HIS A 685 66.002 -1.089 -26.963 1.00 0.00 H new ATOM 50 N GLN A 686 63.036 1.572 -20.454 1.00 0.00 N ATOM 51 CA GLN A 686 62.548 2.393 -19.348 1.00 0.00 C ATOM 52 C GLN A 686 62.810 1.700 -18.014 1.00 0.00 C ATOM 53 O GLN A 686 63.012 0.485 -17.967 1.00 0.00 O ATOM 54 CB GLN A 686 61.044 2.648 -19.509 1.00 0.00 C ATOM 55 CG GLN A 686 60.294 1.311 -19.556 1.00 0.00 C ATOM 56 CD GLN A 686 58.884 1.512 -20.103 1.00 0.00 C ATOM 57 OE1 GLN A 686 58.233 0.549 -20.510 1.00 0.00 O ATOM 58 NE2 GLN A 686 58.348 2.703 -20.093 1.00 0.00 N ATOM 0 H GLN A 686 63.274 0.614 -20.197 1.00 0.00 H new ATOM 0 HA GLN A 686 63.080 3.344 -19.362 1.00 0.00 H new ATOM 0 HB2 GLN A 686 60.677 3.253 -18.679 1.00 0.00 H new ATOM 0 HB3 GLN A 686 60.857 3.213 -20.422 1.00 0.00 H new ATOM 0 HG2 GLN A 686 60.837 0.604 -20.183 1.00 0.00 H new ATOM 0 HG3 GLN A 686 60.245 0.879 -18.557 1.00 0.00 H new ATOM 0 HE21 GLN A 686 58.886 3.502 -19.756 1.00 0.00 H new ATOM 0 HE22 GLN A 686 57.392 2.835 -20.422 1.00 0.00 H new ATOM 67 N LYS A 687 62.701 2.458 -16.926 1.00 0.00 N ATOM 68 CA LYS A 687 62.935 1.908 -15.592 1.00 0.00 C ATOM 69 C LYS A 687 62.211 2.736 -14.532 1.00 0.00 C ATOM 70 O LYS A 687 62.520 2.635 -13.343 1.00 0.00 O ATOM 71 CB LYS A 687 64.438 1.882 -15.295 1.00 0.00 C ATOM 72 CG LYS A 687 64.988 3.313 -15.253 1.00 0.00 C ATOM 73 CD LYS A 687 66.483 3.304 -15.588 1.00 0.00 C ATOM 74 CE LYS A 687 67.244 2.488 -14.540 1.00 0.00 C ATOM 75 NZ LYS A 687 68.710 2.658 -14.745 1.00 0.00 N1+ ATOM 0 H LYS A 687 62.454 3.448 -16.940 1.00 0.00 H new ATOM 0 HA LYS A 687 62.544 0.891 -15.564 1.00 0.00 H new ATOM 0 HB2 LYS A 687 64.620 1.385 -14.342 1.00 0.00 H new ATOM 0 HB3 LYS A 687 64.959 1.306 -16.060 1.00 0.00 H new ATOM 0 HG2 LYS A 687 64.450 3.940 -15.964 1.00 0.00 H new ATOM 0 HG3 LYS A 687 64.830 3.744 -14.265 1.00 0.00 H new ATOM 0 HD2 LYS A 687 66.641 2.878 -16.579 1.00 0.00 H new ATOM 0 HD3 LYS A 687 66.865 4.324 -15.616 1.00 0.00 H new ATOM 0 HE2 LYS A 687 66.966 2.814 -13.538 1.00 0.00 H new ATOM 0 HE3 LYS A 687 66.975 1.435 -14.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 687 69.227 2.104 -14.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 687 68.968 2.326 -15.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 687 68.960 3.663 -14.649 1.00 0.00 H new ATOM 89 N LEU A 688 61.119 3.376 -14.941 1.00 0.00 N ATOM 90 CA LEU A 688 60.353 4.231 -14.039 1.00 0.00 C ATOM 91 C LEU A 688 58.965 3.648 -13.800 1.00 0.00 C ATOM 92 O LEU A 688 58.452 3.688 -12.681 1.00 0.00 O ATOM 93 CB LEU A 688 60.222 5.634 -14.639 1.00 0.00 C ATOM 94 CG LEU A 688 61.500 6.434 -14.366 1.00 0.00 C ATOM 95 CD1 LEU A 688 61.717 7.451 -15.489 1.00 0.00 C ATOM 96 CD2 LEU A 688 61.370 7.170 -13.028 1.00 0.00 C ATOM 0 H LEU A 688 60.745 3.319 -15.888 1.00 0.00 H new ATOM 0 HA LEU A 688 60.880 4.289 -13.086 1.00 0.00 H new ATOM 0 HB2 LEU A 688 60.047 5.566 -15.713 1.00 0.00 H new ATOM 0 HB3 LEU A 688 59.362 6.146 -14.207 1.00 0.00 H new ATOM 0 HG LEU A 688 62.350 5.753 -14.323 1.00 0.00 H new ATOM 0 HD11 LEU A 688 62.626 8.020 -15.294 1.00 0.00 H new ATOM 0 HD12 LEU A 688 61.813 6.928 -16.440 1.00 0.00 H new ATOM 0 HD13 LEU A 688 60.866 8.131 -15.533 1.00 0.00 H new ATOM 0 HD21 LEU A 688 62.280 7.738 -12.836 1.00 0.00 H new ATOM 0 HD22 LEU A 688 60.519 7.850 -13.068 1.00 0.00 H new ATOM 0 HD23 LEU A 688 61.218 6.446 -12.228 1.00 0.00 H new ATOM 108 N VAL A 689 58.447 2.949 -14.808 1.00 0.00 N ATOM 109 CA VAL A 689 57.121 2.347 -14.713 1.00 0.00 C ATOM 110 C VAL A 689 57.124 1.187 -13.718 1.00 0.00 C ATOM 111 O VAL A 689 56.069 0.770 -13.242 1.00 0.00 O ATOM 112 CB VAL A 689 56.671 1.843 -16.090 1.00 0.00 C ATOM 113 CG1 VAL A 689 56.682 3.005 -17.090 1.00 0.00 C ATOM 114 CG2 VAL A 689 57.621 0.741 -16.577 1.00 0.00 C ATOM 0 H VAL A 689 58.923 2.787 -15.695 1.00 0.00 H new ATOM 0 HA VAL A 689 56.425 3.108 -14.361 1.00 0.00 H new ATOM 0 HB VAL A 689 55.662 1.439 -16.011 1.00 0.00 H new ATOM 0 HG11 VAL A 689 56.362 2.646 -18.068 1.00 0.00 H new ATOM 0 HG12 VAL A 689 56.001 3.785 -16.749 1.00 0.00 H new ATOM 0 HG13 VAL A 689 57.691 3.411 -17.165 1.00 0.00 H new ATOM 0 HG21 VAL A 689 57.296 0.387 -17.555 1.00 0.00 H new ATOM 0 HG22 VAL A 689 58.633 1.140 -16.653 1.00 0.00 H new ATOM 0 HG23 VAL A 689 57.610 -0.088 -15.869 1.00 0.00 H new ATOM 124 N PHE A 690 58.320 0.788 -13.290 1.00 0.00 N ATOM 125 CA PHE A 690 58.458 -0.313 -12.342 1.00 0.00 C ATOM 126 C PHE A 690 57.782 0.028 -11.017 1.00 0.00 C ATOM 127 O PHE A 690 56.760 -0.563 -10.666 1.00 0.00 O ATOM 128 CB PHE A 690 59.944 -0.607 -12.100 1.00 0.00 C ATOM 129 CG PHE A 690 60.384 -1.753 -12.983 1.00 0.00 C ATOM 130 CD1 PHE A 690 60.690 -1.521 -14.331 1.00 0.00 C ATOM 131 CD2 PHE A 690 60.389 -3.060 -12.480 1.00 0.00 C ATOM 132 CE1 PHE A 690 61.035 -2.593 -15.164 1.00 0.00 C ATOM 133 CE2 PHE A 690 60.767 -4.126 -13.305 1.00 0.00 C ATOM 134 CZ PHE A 690 61.097 -3.891 -14.644 1.00 0.00 C ATOM 0 H PHE A 690 59.202 1.208 -13.583 1.00 0.00 H new ATOM 0 HA PHE A 690 57.975 -1.194 -12.764 1.00 0.00 H new ATOM 0 HB2 PHE A 690 60.540 0.280 -12.314 1.00 0.00 H new ATOM 0 HB3 PHE A 690 60.110 -0.857 -11.052 1.00 0.00 H new ATOM 0 HD1 PHE A 690 60.660 -0.517 -14.727 1.00 0.00 H new ATOM 0 HD2 PHE A 690 60.101 -3.246 -11.456 1.00 0.00 H new ATOM 0 HE1 PHE A 690 61.253 -2.418 -16.207 1.00 0.00 H new ATOM 0 HE2 PHE A 690 60.804 -5.130 -12.908 1.00 0.00 H new ATOM 0 HZ PHE A 690 61.400 -4.712 -15.277 1.00 0.00 H new ATOM 144 N PHE A 691 58.252 1.098 -10.380 1.00 0.00 N ATOM 145 CA PHE A 691 57.744 1.483 -9.067 1.00 0.00 C ATOM 146 C PHE A 691 56.446 2.274 -9.201 1.00 0.00 C ATOM 147 O PHE A 691 55.676 2.382 -8.246 1.00 0.00 O ATOM 148 CB PHE A 691 58.785 2.331 -8.329 1.00 0.00 C ATOM 149 CG PHE A 691 60.063 1.539 -8.164 1.00 0.00 C ATOM 150 CD1 PHE A 691 60.150 0.544 -7.181 1.00 0.00 C ATOM 151 CD2 PHE A 691 61.172 1.822 -8.970 1.00 0.00 C ATOM 152 CE1 PHE A 691 61.341 -0.171 -7.012 1.00 0.00 C ATOM 153 CE2 PHE A 691 62.379 1.143 -8.766 1.00 0.00 C ATOM 154 CZ PHE A 691 62.463 0.146 -7.786 1.00 0.00 C ATOM 0 H PHE A 691 58.979 1.710 -10.749 1.00 0.00 H new ATOM 0 HA PHE A 691 57.545 0.575 -8.498 1.00 0.00 H new ATOM 0 HB2 PHE A 691 58.983 3.247 -8.886 1.00 0.00 H new ATOM 0 HB3 PHE A 691 58.401 2.628 -7.353 1.00 0.00 H new ATOM 0 HD1 PHE A 691 59.298 0.329 -6.554 1.00 0.00 H new ATOM 0 HD2 PHE A 691 61.096 2.565 -9.750 1.00 0.00 H new ATOM 0 HE1 PHE A 691 61.394 -0.967 -6.284 1.00 0.00 H new ATOM 0 HE2 PHE A 691 63.245 1.388 -9.364 1.00 0.00 H new ATOM 0 HZ PHE A 691 63.394 -0.378 -7.628 1.00 0.00 H new ATOM 164 N ALA A 692 56.289 2.951 -10.337 1.00 0.00 N ATOM 165 CA ALA A 692 55.087 3.742 -10.590 1.00 0.00 C ATOM 166 C ALA A 692 53.871 2.836 -10.774 1.00 0.00 C ATOM 167 O ALA A 692 52.736 3.251 -10.533 1.00 0.00 O ATOM 168 CB ALA A 692 55.286 4.602 -11.842 1.00 0.00 C ATOM 0 H ALA A 692 56.974 2.968 -11.092 1.00 0.00 H new ATOM 0 HA ALA A 692 54.911 4.387 -9.729 1.00 0.00 H new ATOM 0 HB1 ALA A 692 54.387 5.190 -12.026 1.00 0.00 H new ATOM 0 HB2 ALA A 692 56.133 5.272 -11.693 1.00 0.00 H new ATOM 0 HB3 ALA A 692 55.480 3.957 -12.699 1.00 0.00 H new ATOM 174 N GLU A 693 54.122 1.583 -11.153 1.00 0.00 N ATOM 175 CA GLU A 693 53.068 0.574 -11.194 1.00 0.00 C ATOM 176 C GLU A 693 52.709 0.108 -9.787 1.00 0.00 C ATOM 177 O GLU A 693 51.592 -0.357 -9.550 1.00 0.00 O ATOM 178 CB GLU A 693 53.528 -0.630 -12.023 1.00 0.00 C ATOM 179 CG GLU A 693 53.311 -0.343 -13.513 1.00 0.00 C ATOM 180 CD GLU A 693 53.934 -1.453 -14.362 1.00 0.00 C ATOM 181 OE1 GLU A 693 55.111 -1.725 -14.178 1.00 0.00 O1- ATOM 182 OE2 GLU A 693 53.277 -1.892 -15.293 1.00 0.00 O ATOM 0 H GLU A 693 55.042 1.245 -11.435 1.00 0.00 H new ATOM 0 HA GLU A 693 52.187 1.022 -11.653 1.00 0.00 H new ATOM 0 HB2 GLU A 693 54.581 -0.835 -11.832 1.00 0.00 H new ATOM 0 HB3 GLU A 693 52.972 -1.520 -11.729 1.00 0.00 H new ATOM 0 HG2 GLU A 693 52.244 -0.269 -13.725 1.00 0.00 H new ATOM 0 HG3 GLU A 693 53.756 0.617 -13.774 1.00 0.00 H new ATOM 189 N ASP A 694 53.586 0.397 -8.830 1.00 0.00 N ATOM 190 CA ASP A 694 53.299 0.069 -7.436 1.00 0.00 C ATOM 191 C ASP A 694 52.340 1.099 -6.836 1.00 0.00 C ATOM 192 O ASP A 694 52.041 1.057 -5.640 1.00 0.00 O ATOM 193 CB ASP A 694 54.602 0.025 -6.623 1.00 0.00 C ATOM 194 CG ASP A 694 54.470 -0.919 -5.420 1.00 0.00 C ATOM 195 OD1 ASP A 694 53.466 -1.610 -5.323 1.00 0.00 O ATOM 196 OD2 ASP A 694 55.420 -1.001 -4.656 1.00 0.00 O1- ATOM 0 H ASP A 694 54.486 0.850 -8.989 1.00 0.00 H new ATOM 0 HA ASP A 694 52.827 -0.913 -7.399 1.00 0.00 H new ATOM 0 HB2 ASP A 694 55.421 -0.306 -7.261 1.00 0.00 H new ATOM 0 HB3 ASP A 694 54.853 1.028 -6.277 1.00 0.00 H new ATOM 201 N VAL A 695 51.720 1.893 -7.710 1.00 0.00 N ATOM 202 CA VAL A 695 50.524 2.647 -7.341 1.00 0.00 C ATOM 203 C VAL A 695 49.289 1.746 -7.370 1.00 0.00 C ATOM 204 O VAL A 695 48.638 1.541 -6.344 1.00 0.00 O ATOM 205 CB VAL A 695 50.331 3.835 -8.298 1.00 0.00 C ATOM 206 CG1 VAL A 695 49.017 4.551 -7.963 1.00 0.00 C ATOM 207 CG2 VAL A 695 51.497 4.818 -8.140 1.00 0.00 C ATOM 0 H VAL A 695 52.025 2.030 -8.674 1.00 0.00 H new ATOM 0 HA VAL A 695 50.654 3.024 -6.327 1.00 0.00 H new ATOM 0 HB VAL A 695 50.299 3.470 -9.325 1.00 0.00 H new ATOM 0 HG11 VAL A 695 48.879 5.394 -8.641 1.00 0.00 H new ATOM 0 HG12 VAL A 695 48.185 3.856 -8.074 1.00 0.00 H new ATOM 0 HG13 VAL A 695 49.052 4.914 -6.936 1.00 0.00 H new ATOM 0 HG21 VAL A 695 51.358 5.659 -8.819 1.00 0.00 H new ATOM 0 HG22 VAL A 695 51.529 5.182 -7.113 1.00 0.00 H new ATOM 0 HG23 VAL A 695 52.434 4.312 -8.375 1.00 0.00 H new ATOM 217 N GLY A 696 48.961 1.225 -8.551 1.00 0.00 N ATOM 218 CA GLY A 696 47.799 0.351 -8.695 1.00 0.00 C ATOM 219 C GLY A 696 46.495 1.141 -8.564 1.00 0.00 C ATOM 220 O GLY A 696 46.513 2.355 -8.362 1.00 0.00 O ATOM 0 H GLY A 696 49.478 1.391 -9.414 1.00 0.00 H new ATOM 0 HA2 GLY A 696 47.831 -0.145 -9.665 1.00 0.00 H new ATOM 0 HA3 GLY A 696 47.832 -0.431 -7.936 1.00 0.00 H new ATOM 224 N SER A 697 45.366 0.448 -8.716 1.00 0.00 N ATOM 225 CA SER A 697 44.060 1.059 -8.469 1.00 0.00 C ATOM 226 C SER A 697 43.038 0.007 -8.044 1.00 0.00 C ATOM 227 O SER A 697 43.145 -1.158 -8.428 1.00 0.00 O ATOM 228 CB SER A 697 43.566 1.765 -9.735 1.00 0.00 C ATOM 229 OG SER A 697 44.398 2.883 -10.010 1.00 0.00 O ATOM 0 H SER A 697 45.329 -0.529 -9.007 1.00 0.00 H new ATOM 0 HA SER A 697 44.171 1.784 -7.663 1.00 0.00 H new ATOM 0 HB2 SER A 697 43.578 1.074 -10.578 1.00 0.00 H new ATOM 0 HB3 SER A 697 42.534 2.090 -9.604 1.00 0.00 H new ATOM 0 HG SER A 697 45.143 2.901 -9.373 1.00 0.00 H new ATOM 235 N ASN A 698 41.937 0.477 -7.452 1.00 0.00 N ATOM 236 CA ASN A 698 40.875 -0.412 -6.978 1.00 0.00 C ATOM 237 C ASN A 698 41.389 -1.349 -5.886 1.00 0.00 C ATOM 238 O ASN A 698 42.592 -1.429 -5.637 1.00 0.00 O ATOM 239 CB ASN A 698 40.312 -1.241 -8.140 1.00 0.00 C ATOM 240 CG ASN A 698 40.169 -0.370 -9.385 1.00 0.00 C ATOM 241 OD1 ASN A 698 40.993 -0.449 -10.297 1.00 0.00 O ATOM 242 ND2 ASN A 698 39.187 0.485 -9.463 1.00 0.00 N ATOM 0 H ASN A 698 41.758 1.468 -7.290 1.00 0.00 H new ATOM 0 HA ASN A 698 40.083 0.210 -6.561 1.00 0.00 H new ATOM 0 HB2 ASN A 698 40.972 -2.083 -8.350 1.00 0.00 H new ATOM 0 HB3 ASN A 698 39.343 -1.657 -7.864 1.00 0.00 H new ATOM 0 HD21 ASN A 698 39.101 1.089 -10.280 1.00 0.00 H new ATOM 0 HD22 ASN A 698 38.505 0.549 -8.707 1.00 0.00 H new ATOM 249 N LYS A 699 40.458 -1.991 -5.183 1.00 0.00 N ATOM 250 CA LYS A 699 40.817 -2.923 -4.117 1.00 0.00 C ATOM 251 C LYS A 699 41.618 -4.097 -4.675 1.00 0.00 C ATOM 252 O LYS A 699 42.497 -4.632 -4.000 1.00 0.00 O ATOM 253 CB LYS A 699 39.549 -3.447 -3.437 1.00 0.00 C ATOM 254 CG LYS A 699 39.901 -4.033 -2.063 1.00 0.00 C ATOM 255 CD LYS A 699 38.956 -5.194 -1.739 1.00 0.00 C ATOM 256 CE LYS A 699 37.520 -4.676 -1.633 1.00 0.00 C ATOM 257 NZ LYS A 699 36.645 -5.755 -1.095 1.00 0.00 N1+ ATOM 0 H LYS A 699 39.455 -1.884 -5.331 1.00 0.00 H new ATOM 0 HA LYS A 699 41.431 -2.394 -3.389 1.00 0.00 H new ATOM 0 HB2 LYS A 699 38.826 -2.639 -3.324 1.00 0.00 H new ATOM 0 HB3 LYS A 699 39.080 -4.210 -4.059 1.00 0.00 H new ATOM 0 HG2 LYS A 699 40.934 -4.380 -2.059 1.00 0.00 H new ATOM 0 HG3 LYS A 699 39.821 -3.262 -1.297 1.00 0.00 H new ATOM 0 HD2 LYS A 699 39.021 -5.956 -2.515 1.00 0.00 H new ATOM 0 HD3 LYS A 699 39.252 -5.666 -0.803 1.00 0.00 H new ATOM 0 HE2 LYS A 699 37.483 -3.803 -0.981 1.00 0.00 H new ATOM 0 HE3 LYS A 699 37.163 -4.357 -2.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 699 35.668 -5.406 -1.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 699 36.672 -6.575 -1.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 699 36.983 -6.038 -0.153 1.00 0.00 H new ATOM 271 N GLY A 700 41.416 -4.385 -5.959 1.00 0.00 N ATOM 272 CA GLY A 700 42.105 -5.498 -6.603 1.00 0.00 C ATOM 273 C GLY A 700 43.608 -5.245 -6.678 1.00 0.00 C ATOM 274 O GLY A 700 44.401 -6.187 -6.715 1.00 0.00 O ATOM 0 H GLY A 700 40.785 -3.866 -6.570 1.00 0.00 H new ATOM 0 HA2 GLY A 700 41.915 -6.417 -6.048 1.00 0.00 H new ATOM 0 HA3 GLY A 700 41.707 -5.644 -7.607 1.00 0.00 H new ATOM 278 N ALA A 701 43.996 -3.978 -6.531 1.00 0.00 N ATOM 279 CA ALA A 701 45.411 -3.619 -6.493 1.00 0.00 C ATOM 280 C ALA A 701 46.097 -4.245 -5.284 1.00 0.00 C ATOM 281 O ALA A 701 47.282 -4.564 -5.337 1.00 0.00 O ATOM 282 CB ALA A 701 45.565 -2.098 -6.435 1.00 0.00 C ATOM 0 H ALA A 701 43.355 -3.190 -6.437 1.00 0.00 H new ATOM 0 HA ALA A 701 45.882 -3.999 -7.399 1.00 0.00 H new ATOM 0 HB1 ALA A 701 46.624 -1.840 -6.407 1.00 0.00 H new ATOM 0 HB2 ALA A 701 45.106 -1.652 -7.317 1.00 0.00 H new ATOM 0 HB3 ALA A 701 45.075 -1.717 -5.539 1.00 0.00 H new ATOM 288 N ILE A 702 45.309 -4.559 -4.255 1.00 0.00 N ATOM 289 CA ILE A 702 45.853 -5.152 -3.037 1.00 0.00 C ATOM 290 C ILE A 702 46.654 -6.410 -3.362 1.00 0.00 C ATOM 291 O ILE A 702 47.725 -6.632 -2.796 1.00 0.00 O ATOM 292 CB ILE A 702 44.713 -5.499 -2.068 1.00 0.00 C ATOM 293 CG1 ILE A 702 45.293 -5.811 -0.683 1.00 0.00 C ATOM 294 CG2 ILE A 702 43.943 -6.720 -2.591 1.00 0.00 C ATOM 295 CD1 ILE A 702 44.156 -5.975 0.330 1.00 0.00 C ATOM 0 H ILE A 702 44.300 -4.413 -4.242 1.00 0.00 H new ATOM 0 HA ILE A 702 46.518 -4.427 -2.568 1.00 0.00 H new ATOM 0 HB ILE A 702 44.033 -4.650 -1.993 1.00 0.00 H new ATOM 0 HG12 ILE A 702 45.889 -6.722 -0.725 1.00 0.00 H new ATOM 0 HG13 ILE A 702 45.960 -5.008 -0.368 1.00 0.00 H new ATOM 0 HG21 ILE A 702 43.135 -6.963 -1.901 1.00 0.00 H new ATOM 0 HG22 ILE A 702 43.526 -6.494 -3.573 1.00 0.00 H new ATOM 0 HG23 ILE A 702 44.620 -7.570 -2.671 1.00 0.00 H new ATOM 0 HD11 ILE A 702 44.573 -6.197 1.312 1.00 0.00 H new ATOM 0 HD12 ILE A 702 43.578 -5.052 0.381 1.00 0.00 H new ATOM 0 HD13 ILE A 702 43.507 -6.793 0.019 1.00 0.00 H new ATOM 307 N ILE A 703 46.244 -7.096 -4.425 1.00 0.00 N ATOM 308 CA ILE A 703 46.927 -8.309 -4.862 1.00 0.00 C ATOM 309 C ILE A 703 48.297 -7.970 -5.448 1.00 0.00 C ATOM 310 O ILE A 703 49.307 -8.565 -5.068 1.00 0.00 O ATOM 311 CB ILE A 703 46.076 -9.028 -5.915 1.00 0.00 C ATOM 312 CG1 ILE A 703 44.755 -9.489 -5.283 1.00 0.00 C ATOM 313 CG2 ILE A 703 46.839 -10.245 -6.451 1.00 0.00 C ATOM 314 CD1 ILE A 703 43.645 -9.484 -6.340 1.00 0.00 C ATOM 0 H ILE A 703 45.443 -6.833 -4.999 1.00 0.00 H new ATOM 0 HA ILE A 703 47.069 -8.962 -4.001 1.00 0.00 H new ATOM 0 HB ILE A 703 45.865 -8.343 -6.736 1.00 0.00 H new ATOM 0 HG12 ILE A 703 44.870 -10.490 -4.867 1.00 0.00 H new ATOM 0 HG13 ILE A 703 44.487 -8.830 -4.457 1.00 0.00 H new ATOM 0 HG21 ILE A 703 46.232 -10.754 -7.199 1.00 0.00 H new ATOM 0 HG22 ILE A 703 47.774 -9.917 -6.904 1.00 0.00 H new ATOM 0 HG23 ILE A 703 47.054 -10.930 -5.631 1.00 0.00 H new ATOM 0 HD11 ILE A 703 42.710 -9.812 -5.887 1.00 0.00 H new ATOM 0 HD12 ILE A 703 43.523 -8.475 -6.735 1.00 0.00 H new ATOM 0 HD13 ILE A 703 43.912 -10.161 -7.151 1.00 0.00 H new ATOM 326 N GLY A 704 48.342 -6.903 -6.242 1.00 0.00 N ATOM 327 CA GLY A 704 49.595 -6.454 -6.844 1.00 0.00 C ATOM 328 C GLY A 704 50.461 -5.723 -5.821 1.00 0.00 C ATOM 329 O GLY A 704 51.644 -6.026 -5.670 1.00 0.00 O ATOM 0 H GLY A 704 47.529 -6.335 -6.483 1.00 0.00 H new ATOM 0 HA2 GLY A 704 50.140 -7.311 -7.241 1.00 0.00 H new ATOM 0 HA3 GLY A 704 49.383 -5.794 -7.685 1.00 0.00 H new ATOM 333 N LEU A 705 49.828 -4.855 -5.036 1.00 0.00 N ATOM 334 CA LEU A 705 50.513 -4.172 -3.942 1.00 0.00 C ATOM 335 C LEU A 705 51.114 -5.177 -2.965 1.00 0.00 C ATOM 336 O LEU A 705 52.104 -4.880 -2.297 1.00 0.00 O ATOM 337 CB LEU A 705 49.527 -3.266 -3.194 1.00 0.00 C ATOM 338 CG LEU A 705 49.019 -2.170 -4.132 1.00 0.00 C ATOM 339 CD1 LEU A 705 47.904 -1.382 -3.437 1.00 0.00 C ATOM 340 CD2 LEU A 705 50.171 -1.227 -4.491 1.00 0.00 C ATOM 0 H LEU A 705 48.843 -4.608 -5.137 1.00 0.00 H new ATOM 0 HA LEU A 705 51.317 -3.571 -4.367 1.00 0.00 H new ATOM 0 HB2 LEU A 705 48.689 -3.855 -2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 705 50.015 -2.819 -2.328 1.00 0.00 H new ATOM 0 HG LEU A 705 48.629 -2.623 -5.043 1.00 0.00 H new ATOM 0 HD11 LEU A 705 47.541 -0.600 -4.104 1.00 0.00 H new ATOM 0 HD12 LEU A 705 47.084 -2.055 -3.187 1.00 0.00 H new ATOM 0 HD13 LEU A 705 48.293 -0.929 -2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 705 49.807 -0.447 -5.159 1.00 0.00 H new ATOM 0 HD22 LEU A 705 50.565 -0.772 -3.582 1.00 0.00 H new ATOM 0 HD23 LEU A 705 50.961 -1.790 -4.987 1.00 0.00 H new ATOM 352 N MET A 706 50.428 -6.304 -2.778 1.00 0.00 N ATOM 353 CA MET A 706 50.877 -7.314 -1.823 1.00 0.00 C ATOM 354 C MET A 706 52.209 -7.911 -2.267 1.00 0.00 C ATOM 355 O MET A 706 53.219 -7.766 -1.578 1.00 0.00 O ATOM 356 CB MET A 706 49.826 -8.426 -1.698 1.00 0.00 C ATOM 357 CG MET A 706 50.375 -9.564 -0.831 1.00 0.00 C ATOM 358 SD MET A 706 49.000 -10.582 -0.232 1.00 0.00 S ATOM 359 CE MET A 706 49.422 -10.548 1.529 1.00 0.00 C ATOM 0 H MET A 706 49.566 -6.539 -3.271 1.00 0.00 H new ATOM 0 HA MET A 706 51.011 -6.837 -0.852 1.00 0.00 H new ATOM 0 HB2 MET A 706 48.913 -8.028 -1.256 1.00 0.00 H new ATOM 0 HB3 MET A 706 49.563 -8.804 -2.686 1.00 0.00 H new ATOM 0 HG2 MET A 706 51.069 -10.174 -1.409 1.00 0.00 H new ATOM 0 HG3 MET A 706 50.934 -9.157 0.011 1.00 0.00 H new ATOM 0 HE1 MET A 706 48.688 -11.126 2.090 1.00 0.00 H new ATOM 0 HE2 MET A 706 50.412 -10.980 1.674 1.00 0.00 H new ATOM 0 HE3 MET A 706 49.420 -9.517 1.884 1.00 0.00 H new ATOM 369 N VAL A 707 52.245 -8.386 -3.509 1.00 0.00 N ATOM 370 CA VAL A 707 53.434 -9.051 -4.032 1.00 0.00 C ATOM 371 C VAL A 707 54.532 -8.031 -4.324 1.00 0.00 C ATOM 372 O VAL A 707 55.669 -8.190 -3.880 1.00 0.00 O ATOM 373 CB VAL A 707 53.085 -9.815 -5.317 1.00 0.00 C ATOM 374 CG1 VAL A 707 54.308 -10.611 -5.789 1.00 0.00 C ATOM 375 CG2 VAL A 707 51.920 -10.777 -5.048 1.00 0.00 C ATOM 0 H VAL A 707 51.469 -8.323 -4.168 1.00 0.00 H new ATOM 0 HA VAL A 707 53.796 -9.753 -3.281 1.00 0.00 H new ATOM 0 HB VAL A 707 52.794 -9.104 -6.090 1.00 0.00 H new ATOM 0 HG11 VAL A 707 54.059 -11.153 -6.701 1.00 0.00 H new ATOM 0 HG12 VAL A 707 55.133 -9.927 -5.987 1.00 0.00 H new ATOM 0 HG13 VAL A 707 54.602 -11.320 -5.015 1.00 0.00 H new ATOM 0 HG21 VAL A 707 51.676 -11.317 -5.963 1.00 0.00 H new ATOM 0 HG22 VAL A 707 52.206 -11.487 -4.273 1.00 0.00 H new ATOM 0 HG23 VAL A 707 51.049 -10.211 -4.717 1.00 0.00 H new ATOM 385 N GLY A 708 54.138 -6.901 -4.910 1.00 0.00 N ATOM 386 CA GLY A 708 55.084 -5.831 -5.212 1.00 0.00 C ATOM 387 C GLY A 708 55.462 -5.057 -3.952 1.00 0.00 C ATOM 388 O GLY A 708 56.409 -4.269 -3.959 1.00 0.00 O ATOM 0 H GLY A 708 53.175 -6.705 -5.183 1.00 0.00 H new ATOM 0 HA2 GLY A 708 55.981 -6.252 -5.666 1.00 0.00 H new ATOM 0 HA3 GLY A 708 54.646 -5.151 -5.943 1.00 0.00 H new ATOM 392 N GLY A 709 54.791 -5.373 -2.845 1.00 0.00 N ATOM 393 CA GLY A 709 55.046 -4.685 -1.583 1.00 0.00 C ATOM 394 C GLY A 709 56.160 -5.371 -0.798 1.00 0.00 C ATOM 395 O GLY A 709 56.364 -5.086 0.381 1.00 0.00 O ATOM 0 H GLY A 709 54.072 -6.095 -2.797 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.321 -3.649 -1.779 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.135 -4.666 -0.985 1.00 0.00 H new ATOM 399 N VAL A 710 56.956 -6.181 -1.495 1.00 0.00 N ATOM 400 CA VAL A 710 58.114 -6.821 -0.878 1.00 0.00 C ATOM 401 C VAL A 710 59.252 -5.817 -0.703 1.00 0.00 C ATOM 402 O VAL A 710 59.913 -5.792 0.335 1.00 0.00 O ATOM 403 CB VAL A 710 58.582 -7.995 -1.750 1.00 0.00 C ATOM 404 CG1 VAL A 710 59.937 -8.509 -1.249 1.00 0.00 C ATOM 405 CG2 VAL A 710 57.551 -9.126 -1.678 1.00 0.00 C ATOM 0 H VAL A 710 56.821 -6.408 -2.480 1.00 0.00 H new ATOM 0 HA VAL A 710 57.826 -7.193 0.105 1.00 0.00 H new ATOM 0 HB VAL A 710 58.685 -7.657 -2.781 1.00 0.00 H new ATOM 0 HG11 VAL A 710 60.263 -9.342 -1.872 1.00 0.00 H new ATOM 0 HG12 VAL A 710 60.673 -7.706 -1.302 1.00 0.00 H new ATOM 0 HG13 VAL A 710 59.840 -8.845 -0.217 1.00 0.00 H new ATOM 0 HG21 VAL A 710 57.882 -9.960 -2.297 1.00 0.00 H new ATOM 0 HG22 VAL A 710 57.448 -9.459 -0.645 1.00 0.00 H new ATOM 0 HG23 VAL A 710 56.589 -8.765 -2.041 1.00 0.00 H new ATOM 415 N VAL A 711 59.375 -4.902 -1.661 1.00 0.00 N ATOM 416 CA VAL A 711 60.436 -3.901 -1.619 1.00 0.00 C ATOM 417 C VAL A 711 60.164 -2.882 -0.515 1.00 0.00 C ATOM 418 O VAL A 711 61.006 -2.661 0.356 1.00 0.00 O ATOM 419 CB VAL A 711 60.533 -3.184 -2.970 1.00 0.00 C ATOM 420 CG1 VAL A 711 61.629 -2.114 -2.907 1.00 0.00 C ATOM 421 CG2 VAL A 711 60.872 -4.198 -4.067 1.00 0.00 C ATOM 0 H VAL A 711 58.758 -4.833 -2.470 1.00 0.00 H new ATOM 0 HA VAL A 711 61.380 -4.405 -1.409 1.00 0.00 H new ATOM 0 HB VAL A 711 59.577 -2.711 -3.196 1.00 0.00 H new ATOM 0 HG11 VAL A 711 61.697 -1.605 -3.869 1.00 0.00 H new ATOM 0 HG12 VAL A 711 61.386 -1.390 -2.130 1.00 0.00 H new ATOM 0 HG13 VAL A 711 62.585 -2.585 -2.678 1.00 0.00 H new ATOM 0 HG21 VAL A 711 60.941 -3.686 -5.027 1.00 0.00 H new ATOM 0 HG22 VAL A 711 61.826 -4.674 -3.840 1.00 0.00 H new ATOM 0 HG23 VAL A 711 60.091 -4.957 -4.115 1.00 0.00 H new ATOM 431 N ILE A 712 58.942 -2.359 -0.493 1.00 0.00 N ATOM 432 CA ILE A 712 58.574 -1.336 0.481 1.00 0.00 C ATOM 433 C ILE A 712 58.550 -1.921 1.891 1.00 0.00 C ATOM 434 O ILE A 712 58.920 -1.248 2.854 1.00 0.00 O ATOM 435 CB ILE A 712 57.195 -0.755 0.138 1.00 0.00 C ATOM 436 CG1 ILE A 712 56.120 -1.837 0.305 1.00 0.00 C ATOM 437 CG2 ILE A 712 57.199 -0.254 -1.312 1.00 0.00 C ATOM 438 CD1 ILE A 712 54.756 -1.282 -0.119 1.00 0.00 C ATOM 0 H ILE A 712 58.194 -2.624 -1.134 1.00 0.00 H new ATOM 0 HA ILE A 712 59.319 -0.541 0.444 1.00 0.00 H new ATOM 0 HB ILE A 712 56.976 0.075 0.810 1.00 0.00 H new ATOM 0 HG12 ILE A 712 56.372 -2.709 -0.298 1.00 0.00 H new ATOM 0 HG13 ILE A 712 56.082 -2.168 1.343 1.00 0.00 H new ATOM 0 HG21 ILE A 712 56.220 0.159 -1.557 1.00 0.00 H new ATOM 0 HG22 ILE A 712 57.958 0.519 -1.428 1.00 0.00 H new ATOM 0 HG23 ILE A 712 57.421 -1.084 -1.983 1.00 0.00 H new ATOM 0 HD11 ILE A 712 53.996 -2.054 0.001 1.00 0.00 H new ATOM 0 HD12 ILE A 712 54.503 -0.424 0.503 1.00 0.00 H new ATOM 0 HD13 ILE A 712 54.798 -0.973 -1.164 1.00 0.00 H new ATOM 450 N ALA A 713 58.289 -3.225 1.978 1.00 0.00 N ATOM 451 CA ALA A 713 58.276 -3.912 3.266 1.00 0.00 C ATOM 452 C ALA A 713 59.638 -3.808 3.943 1.00 0.00 C ATOM 453 O ALA A 713 59.753 -3.208 5.012 1.00 0.00 O ATOM 454 CB ALA A 713 57.913 -5.386 3.069 1.00 0.00 C ATOM 0 H ALA A 713 58.085 -3.822 1.177 1.00 0.00 H new ATOM 0 HA ALA A 713 57.530 -3.436 3.902 1.00 0.00 H new ATOM 0 HB1 ALA A 713 57.906 -5.891 4.035 1.00 0.00 H new ATOM 0 HB2 ALA A 713 56.926 -5.460 2.613 1.00 0.00 H new ATOM 0 HB3 ALA A 713 58.649 -5.858 2.418 1.00 0.00 H new ATOM 460 N THR A 714 60.683 -4.154 3.197 1.00 0.00 N ATOM 461 CA THR A 714 62.041 -4.141 3.737 1.00 0.00 C ATOM 462 C THR A 714 62.437 -2.728 4.157 1.00 0.00 C ATOM 463 O THR A 714 62.921 -2.523 5.269 1.00 0.00 O ATOM 464 CB THR A 714 63.031 -4.663 2.686 1.00 0.00 C ATOM 465 OG1 THR A 714 62.407 -4.690 1.411 1.00 0.00 O ATOM 466 CG2 THR A 714 63.480 -6.078 3.062 1.00 0.00 C ATOM 0 H THR A 714 60.618 -4.446 2.222 1.00 0.00 H new ATOM 0 HA THR A 714 62.069 -4.790 4.613 1.00 0.00 H new ATOM 0 HB THR A 714 63.897 -4.003 2.651 1.00 0.00 H new ATOM 0 HG1 THR A 714 62.066 -3.797 1.195 1.00 0.00 H new ATOM 0 HG21 THR A 714 64.183 -6.447 2.315 1.00 0.00 H new ATOM 0 HG22 THR A 714 63.965 -6.059 4.038 1.00 0.00 H new ATOM 0 HG23 THR A 714 62.612 -6.737 3.101 1.00 0.00 H new ATOM 474 N VAL A 715 62.000 -1.747 3.372 1.00 0.00 N ATOM 475 CA VAL A 715 62.285 -0.349 3.674 1.00 0.00 C ATOM 476 C VAL A 715 61.605 0.068 4.976 1.00 0.00 C ATOM 477 O VAL A 715 62.250 0.620 5.869 1.00 0.00 O ATOM 478 CB VAL A 715 61.794 0.542 2.527 1.00 0.00 C ATOM 479 CG1 VAL A 715 62.097 2.011 2.845 1.00 0.00 C ATOM 480 CG2 VAL A 715 62.502 0.142 1.225 1.00 0.00 C ATOM 0 H VAL A 715 61.450 -1.894 2.526 1.00 0.00 H new ATOM 0 HA VAL A 715 63.363 -0.232 3.789 1.00 0.00 H new ATOM 0 HB VAL A 715 60.718 0.414 2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 715 61.746 2.640 2.027 1.00 0.00 H new ATOM 0 HG12 VAL A 715 61.589 2.296 3.766 1.00 0.00 H new ATOM 0 HG13 VAL A 715 63.172 2.142 2.968 1.00 0.00 H new ATOM 0 HG21 VAL A 715 62.152 0.776 0.411 1.00 0.00 H new ATOM 0 HG22 VAL A 715 63.579 0.265 1.344 1.00 0.00 H new ATOM 0 HG23 VAL A 715 62.279 -0.900 0.995 1.00 0.00 H new ATOM 490 N ILE A 716 60.369 -0.390 5.158 1.00 0.00 N ATOM 491 CA ILE A 716 59.601 -0.051 6.353 1.00 0.00 C ATOM 492 C ILE A 716 60.067 -0.886 7.545 1.00 0.00 C ATOM 493 O ILE A 716 60.041 -0.422 8.685 1.00 0.00 O ATOM 494 CB ILE A 716 58.108 -0.296 6.100 1.00 0.00 C ATOM 495 CG1 ILE A 716 57.608 0.660 5.010 1.00 0.00 C ATOM 496 CG2 ILE A 716 57.320 -0.053 7.393 1.00 0.00 C ATOM 497 CD1 ILE A 716 56.281 0.147 4.443 1.00 0.00 C ATOM 0 H ILE A 716 59.880 -0.994 4.497 1.00 0.00 H new ATOM 0 HA ILE A 716 59.761 1.003 6.581 1.00 0.00 H new ATOM 0 HB ILE A 716 57.962 -1.326 5.775 1.00 0.00 H new ATOM 0 HG12 ILE A 716 57.476 1.660 5.423 1.00 0.00 H new ATOM 0 HG13 ILE A 716 58.349 0.739 4.214 1.00 0.00 H new ATOM 0 HG21 ILE A 716 56.260 -0.228 7.211 1.00 0.00 H new ATOM 0 HG22 ILE A 716 57.672 -0.734 8.167 1.00 0.00 H new ATOM 0 HG23 ILE A 716 57.467 0.976 7.721 1.00 0.00 H new ATOM 0 HD11 ILE A 716 55.928 0.828 3.669 1.00 0.00 H new ATOM 0 HD12 ILE A 716 56.427 -0.844 4.014 1.00 0.00 H new ATOM 0 HD13 ILE A 716 55.541 0.091 5.242 1.00 0.00 H new ATOM 509 N VAL A 717 60.548 -2.095 7.264 1.00 0.00 N ATOM 510 CA VAL A 717 61.021 -2.989 8.318 1.00 0.00 C ATOM 511 C VAL A 717 62.237 -2.390 9.020 1.00 0.00 C ATOM 512 O VAL A 717 62.304 -2.366 10.249 1.00 0.00 O ATOM 513 CB VAL A 717 61.387 -4.355 7.722 1.00 0.00 C ATOM 514 CG1 VAL A 717 62.101 -5.207 8.778 1.00 0.00 C ATOM 515 CG2 VAL A 717 60.113 -5.075 7.264 1.00 0.00 C ATOM 0 H VAL A 717 60.620 -2.476 6.321 1.00 0.00 H new ATOM 0 HA VAL A 717 60.222 -3.117 9.048 1.00 0.00 H new ATOM 0 HB VAL A 717 62.049 -4.207 6.869 1.00 0.00 H new ATOM 0 HG11 VAL A 717 62.359 -6.176 8.350 1.00 0.00 H new ATOM 0 HG12 VAL A 717 63.010 -4.700 9.101 1.00 0.00 H new ATOM 0 HG13 VAL A 717 61.442 -5.352 9.634 1.00 0.00 H new ATOM 0 HG21 VAL A 717 60.375 -6.045 6.841 1.00 0.00 H new ATOM 0 HG22 VAL A 717 59.450 -5.218 8.117 1.00 0.00 H new ATOM 0 HG23 VAL A 717 59.607 -4.474 6.508 1.00 0.00 H new ATOM 525 N ILE A 718 63.124 -1.785 8.235 1.00 0.00 N ATOM 526 CA ILE A 718 64.319 -1.152 8.785 1.00 0.00 C ATOM 527 C ILE A 718 63.940 0.069 9.622 1.00 0.00 C ATOM 528 O ILE A 718 64.585 0.362 10.628 1.00 0.00 O ATOM 529 CB ILE A 718 65.265 -0.749 7.637 1.00 0.00 C ATOM 530 CG1 ILE A 718 66.330 -1.837 7.443 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.960 0.581 7.957 1.00 0.00 C ATOM 532 CD1 ILE A 718 65.657 -3.175 7.118 1.00 0.00 C ATOM 0 H ILE A 718 63.039 -1.720 7.221 1.00 0.00 H new ATOM 0 HA ILE A 718 64.831 -1.862 9.435 1.00 0.00 H new ATOM 0 HB ILE A 718 64.678 -0.635 6.726 1.00 0.00 H new ATOM 0 HG12 ILE A 718 67.007 -1.555 6.637 1.00 0.00 H new ATOM 0 HG13 ILE A 718 66.933 -1.933 8.346 1.00 0.00 H new ATOM 0 HG21 ILE A 718 66.624 0.851 7.136 1.00 0.00 H new ATOM 0 HG22 ILE A 718 65.210 1.361 8.088 1.00 0.00 H new ATOM 0 HG23 ILE A 718 66.540 0.477 8.874 1.00 0.00 H new ATOM 0 HD11 ILE A 718 66.419 -3.942 6.982 1.00 0.00 H new ATOM 0 HD12 ILE A 718 64.998 -3.460 7.938 1.00 0.00 H new ATOM 0 HD13 ILE A 718 65.074 -3.076 6.202 1.00 0.00 H new ATOM 544 N THR A 719 62.800 0.674 9.295 1.00 0.00 N ATOM 545 CA THR A 719 62.277 1.785 10.086 1.00 0.00 C ATOM 546 C THR A 719 61.588 1.269 11.349 1.00 0.00 C ATOM 547 O THR A 719 61.659 1.901 12.403 1.00 0.00 O ATOM 548 CB THR A 719 61.288 2.602 9.246 1.00 0.00 C ATOM 549 OG1 THR A 719 62.004 3.339 8.265 1.00 0.00 O ATOM 550 CG2 THR A 719 60.514 3.573 10.146 1.00 0.00 C ATOM 0 H THR A 719 62.224 0.416 8.493 1.00 0.00 H new ATOM 0 HA THR A 719 63.109 2.423 10.383 1.00 0.00 H new ATOM 0 HB THR A 719 60.584 1.926 8.761 1.00 0.00 H new ATOM 0 HG1 THR A 719 61.375 3.861 7.725 1.00 0.00 H new ATOM 0 HG21 THR A 719 59.814 4.150 9.542 1.00 0.00 H new ATOM 0 HG22 THR A 719 59.964 3.010 10.901 1.00 0.00 H new ATOM 0 HG23 THR A 719 61.213 4.250 10.636 1.00 0.00 H new ATOM 558 N LEU A 720 61.041 0.058 11.268 1.00 0.00 N ATOM 559 CA LEU A 720 60.244 -0.483 12.364 1.00 0.00 C ATOM 560 C LEU A 720 61.116 -0.726 13.594 1.00 0.00 C ATOM 561 O LEU A 720 60.670 -0.518 14.723 1.00 0.00 O ATOM 562 CB LEU A 720 59.583 -1.799 11.933 1.00 0.00 C ATOM 563 CG LEU A 720 58.066 -1.708 12.139 1.00 0.00 C ATOM 564 CD1 LEU A 720 57.403 -2.972 11.584 1.00 0.00 C ATOM 565 CD2 LEU A 720 57.748 -1.576 13.635 1.00 0.00 C ATOM 0 H LEU A 720 61.134 -0.561 10.463 1.00 0.00 H new ATOM 0 HA LEU A 720 59.472 0.243 12.619 1.00 0.00 H new ATOM 0 HB2 LEU A 720 59.806 -2.003 10.886 1.00 0.00 H new ATOM 0 HB3 LEU A 720 59.989 -2.628 12.513 1.00 0.00 H new ATOM 0 HG LEU A 720 57.683 -0.832 11.615 1.00 0.00 H new ATOM 0 HD11 LEU A 720 56.324 -2.911 11.729 1.00 0.00 H new ATOM 0 HD12 LEU A 720 57.622 -3.060 10.520 1.00 0.00 H new ATOM 0 HD13 LEU A 720 57.790 -3.846 12.108 1.00 0.00 H new ATOM 0 HD21 LEU A 720 56.669 -1.512 13.773 1.00 0.00 H new ATOM 0 HD22 LEU A 720 58.131 -2.447 14.167 1.00 0.00 H new ATOM 0 HD23 LEU A 720 58.218 -0.675 14.029 1.00 0.00 H new ATOM 577 N VAL A 721 62.406 -0.962 13.360 1.00 0.00 N ATOM 578 CA VAL A 721 63.336 -1.236 14.454 1.00 0.00 C ATOM 579 C VAL A 721 63.430 -0.032 15.390 1.00 0.00 C ATOM 580 O VAL A 721 63.542 -0.194 16.606 1.00 0.00 O ATOM 581 CB VAL A 721 64.728 -1.571 13.896 1.00 0.00 C ATOM 582 CG1 VAL A 721 64.597 -2.554 12.728 1.00 0.00 C ATOM 583 CG2 VAL A 721 65.417 -0.292 13.409 1.00 0.00 C ATOM 0 H VAL A 721 62.828 -0.969 12.431 1.00 0.00 H new ATOM 0 HA VAL A 721 62.962 -2.091 15.017 1.00 0.00 H new ATOM 0 HB VAL A 721 65.325 -2.025 14.687 1.00 0.00 H new ATOM 0 HG11 VAL A 721 65.587 -2.788 12.336 1.00 0.00 H new ATOM 0 HG12 VAL A 721 64.118 -3.470 13.075 1.00 0.00 H new ATOM 0 HG13 VAL A 721 63.992 -2.105 11.940 1.00 0.00 H new ATOM 0 HG21 VAL A 721 66.403 -0.537 13.015 1.00 0.00 H new ATOM 0 HG22 VAL A 721 64.817 0.168 12.624 1.00 0.00 H new ATOM 0 HG23 VAL A 721 65.522 0.404 14.241 1.00 0.00 H new ATOM 593 N MET A 722 63.156 1.151 14.842 1.00 0.00 N ATOM 594 CA MET A 722 63.218 2.384 15.619 1.00 0.00 C ATOM 595 C MET A 722 62.052 2.457 16.601 1.00 0.00 C ATOM 596 O MET A 722 62.206 2.927 17.730 1.00 0.00 O ATOM 597 CB MET A 722 63.172 3.593 14.676 1.00 0.00 C ATOM 598 CG MET A 722 64.272 4.591 15.054 1.00 0.00 C ATOM 599 SD MET A 722 64.180 6.025 13.952 1.00 0.00 S ATOM 600 CE MET A 722 65.651 6.887 14.561 1.00 0.00 C ATOM 0 H MET A 722 62.890 1.280 13.866 1.00 0.00 H new ATOM 0 HA MET A 722 64.152 2.394 16.181 1.00 0.00 H new ATOM 0 HB2 MET A 722 63.304 3.266 13.645 1.00 0.00 H new ATOM 0 HB3 MET A 722 62.196 4.075 14.735 1.00 0.00 H new ATOM 0 HG2 MET A 722 64.153 4.906 16.091 1.00 0.00 H new ATOM 0 HG3 MET A 722 65.251 4.119 14.975 1.00 0.00 H new ATOM 0 HE1 MET A 722 65.784 7.816 14.007 1.00 0.00 H new ATOM 0 HE2 MET A 722 65.529 7.111 15.621 1.00 0.00 H new ATOM 0 HE3 MET A 722 66.527 6.254 14.422 1.00 0.00 H new ATOM 610 N LEU A 723 60.899 1.945 16.179 1.00 0.00 N ATOM 611 CA LEU A 723 59.746 1.841 17.068 1.00 0.00 C ATOM 612 C LEU A 723 59.870 0.618 17.970 1.00 0.00 C ATOM 613 O LEU A 723 59.700 0.718 19.185 1.00 0.00 O ATOM 614 CB LEU A 723 58.457 1.742 16.246 1.00 0.00 C ATOM 615 CG LEU A 723 58.302 2.989 15.370 1.00 0.00 C ATOM 616 CD1 LEU A 723 57.098 2.807 14.441 1.00 0.00 C ATOM 617 CD2 LEU A 723 58.088 4.223 16.255 1.00 0.00 C ATOM 0 H LEU A 723 60.739 1.598 15.233 1.00 0.00 H new ATOM 0 HA LEU A 723 59.712 2.735 17.691 1.00 0.00 H new ATOM 0 HB2 LEU A 723 58.481 0.849 15.622 1.00 0.00 H new ATOM 0 HB3 LEU A 723 57.598 1.644 16.910 1.00 0.00 H new ATOM 0 HG LEU A 723 59.205 3.129 14.776 1.00 0.00 H new ATOM 0 HD11 LEU A 723 56.984 3.692 13.816 1.00 0.00 H new ATOM 0 HD12 LEU A 723 57.255 1.934 13.808 1.00 0.00 H new ATOM 0 HD13 LEU A 723 56.197 2.665 15.037 1.00 0.00 H new ATOM 0 HD21 LEU A 723 57.978 5.107 15.627 1.00 0.00 H new ATOM 0 HD22 LEU A 723 57.187 4.089 16.854 1.00 0.00 H new ATOM 0 HD23 LEU A 723 58.946 4.351 16.915 1.00 0.00 H new ATOM 629 N LYS A 724 60.072 -0.548 17.359 1.00 0.00 N ATOM 630 CA LYS A 724 60.133 -1.801 18.109 1.00 0.00 C ATOM 631 C LYS A 724 60.910 -2.857 17.326 1.00 0.00 C ATOM 632 O LYS A 724 60.716 -3.012 16.119 1.00 0.00 O ATOM 633 CB LYS A 724 58.715 -2.312 18.393 1.00 0.00 C ATOM 634 CG LYS A 724 58.527 -2.492 19.903 1.00 0.00 C ATOM 635 CD LYS A 724 57.158 -3.124 20.183 1.00 0.00 C ATOM 636 CE LYS A 724 56.697 -2.746 21.596 1.00 0.00 C ATOM 637 NZ LYS A 724 57.731 -3.160 22.586 1.00 0.00 N1+ ATOM 0 H LYS A 724 60.196 -0.651 16.352 1.00 0.00 H new ATOM 0 HA LYS A 724 60.646 -1.613 19.052 1.00 0.00 H new ATOM 0 HB2 LYS A 724 57.979 -1.607 18.006 1.00 0.00 H new ATOM 0 HB3 LYS A 724 58.549 -3.259 17.880 1.00 0.00 H new ATOM 0 HG2 LYS A 724 59.319 -3.124 20.305 1.00 0.00 H new ATOM 0 HG3 LYS A 724 58.603 -1.528 20.406 1.00 0.00 H new ATOM 0 HD2 LYS A 724 56.430 -2.780 19.448 1.00 0.00 H new ATOM 0 HD3 LYS A 724 57.220 -4.208 20.087 1.00 0.00 H new ATOM 0 HE2 LYS A 724 56.528 -1.671 21.659 1.00 0.00 H new ATOM 0 HE3 LYS A 724 55.748 -3.231 21.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 724 57.318 -3.158 23.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 724 58.068 -4.117 22.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 724 58.530 -2.495 22.552 1.00 0.00 H new ATOM 651 N LYS A 725 61.649 -3.694 18.053 1.00 0.00 N ATOM 652 CA LYS A 725 62.441 -4.749 17.426 1.00 0.00 C ATOM 653 C LYS A 725 61.535 -5.867 16.915 1.00 0.00 C ATOM 654 O LYS A 725 61.484 -6.128 15.712 1.00 0.00 O ATOM 655 CB LYS A 725 63.442 -5.319 18.439 1.00 0.00 C ATOM 656 CG LYS A 725 64.650 -5.907 17.702 1.00 0.00 C ATOM 657 CD LYS A 725 65.717 -4.823 17.519 1.00 0.00 C ATOM 658 CE LYS A 725 66.773 -5.309 16.524 1.00 0.00 C ATOM 659 NZ LYS A 725 66.232 -5.204 15.139 1.00 0.00 N1+ ATOM 0 H LYS A 725 61.715 -3.662 19.070 1.00 0.00 H new ATOM 0 HA LYS A 725 62.981 -4.322 16.581 1.00 0.00 H new ATOM 0 HB2 LYS A 725 63.768 -4.535 19.122 1.00 0.00 H new ATOM 0 HB3 LYS A 725 62.963 -6.089 19.043 1.00 0.00 H new ATOM 0 HG2 LYS A 725 65.061 -6.744 18.266 1.00 0.00 H new ATOM 0 HG3 LYS A 725 64.343 -6.297 16.732 1.00 0.00 H new ATOM 0 HD2 LYS A 725 65.258 -3.903 17.158 1.00 0.00 H new ATOM 0 HD3 LYS A 725 66.183 -4.592 18.477 1.00 0.00 H new ATOM 0 HE2 LYS A 725 67.680 -4.712 16.618 1.00 0.00 H new ATOM 0 HE3 LYS A 725 67.047 -6.341 16.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 67.013 -5.269 14.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 65.559 -5.978 14.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 65.746 -4.292 15.024 1.00 0.00 H new ATOM 673 N LYS A 726 60.658 -6.345 17.794 1.00 0.00 N ATOM 674 CA LYS A 726 59.714 -7.399 17.433 1.00 0.00 C ATOM 675 C LYS A 726 58.333 -6.811 17.154 1.00 0.00 C ATOM 676 O LYS A 726 58.163 -5.591 17.134 1.00 0.00 O ATOM 677 CB LYS A 726 59.615 -8.422 18.570 1.00 0.00 C ATOM 678 CG LYS A 726 60.912 -9.239 18.646 1.00 0.00 C ATOM 679 CD LYS A 726 60.701 -10.606 17.984 1.00 0.00 C ATOM 680 CE LYS A 726 62.012 -11.401 18.018 1.00 0.00 C ATOM 681 NZ LYS A 726 61.763 -12.749 18.604 1.00 0.00 N1+ ATOM 0 H LYS A 726 60.581 -6.021 18.758 1.00 0.00 H new ATOM 0 HA LYS A 726 60.075 -7.891 16.530 1.00 0.00 H new ATOM 0 HB2 LYS A 726 59.440 -7.912 19.517 1.00 0.00 H new ATOM 0 HB3 LYS A 726 58.766 -9.085 18.403 1.00 0.00 H new ATOM 0 HG2 LYS A 726 61.720 -8.704 18.148 1.00 0.00 H new ATOM 0 HG3 LYS A 726 61.210 -9.370 19.686 1.00 0.00 H new ATOM 0 HD2 LYS A 726 59.917 -11.156 18.504 1.00 0.00 H new ATOM 0 HD3 LYS A 726 60.370 -10.475 16.954 1.00 0.00 H new ATOM 0 HE2 LYS A 726 62.415 -11.500 17.010 1.00 0.00 H new ATOM 0 HE3 LYS A 726 62.757 -10.868 18.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 726 62.653 -13.287 18.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 726 61.397 -12.645 19.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 726 61.066 -13.257 18.023 1.00 0.00 H new ATOM 695 N GLN A 727 57.402 -7.678 16.760 1.00 0.00 N ATOM 696 CA GLN A 727 56.056 -7.243 16.396 1.00 0.00 C ATOM 697 C GLN A 727 55.064 -7.583 17.509 1.00 0.00 C ATOM 698 O GLN A 727 54.967 -6.861 18.502 1.00 0.00 O ATOM 699 CB GLN A 727 55.625 -7.925 15.090 1.00 0.00 C ATOM 700 CG GLN A 727 56.359 -7.286 13.905 1.00 0.00 C ATOM 701 CD GLN A 727 55.479 -6.224 13.253 1.00 0.00 C ATOM 702 OE1 GLN A 727 54.589 -6.552 12.467 1.00 0.00 O ATOM 703 NE2 GLN A 727 55.677 -4.964 13.529 1.00 0.00 N ATOM 0 H GLN A 727 57.555 -8.684 16.685 1.00 0.00 H new ATOM 0 HA GLN A 727 56.065 -6.162 16.254 1.00 0.00 H new ATOM 0 HB2 GLN A 727 55.847 -8.991 15.135 1.00 0.00 H new ATOM 0 HB3 GLN A 727 54.547 -7.829 14.957 1.00 0.00 H new ATOM 0 HG2 GLN A 727 57.292 -6.837 14.245 1.00 0.00 H new ATOM 0 HG3 GLN A 727 56.621 -8.051 13.174 1.00 0.00 H new ATOM 0 HE21 GLN A 727 56.414 -4.694 14.180 1.00 0.00 H new ATOM 0 HE22 GLN A 727 55.094 -4.249 13.094 1.00 0.00 H new ATOM 712 N TYR A 728 54.416 -8.742 17.389 1.00 0.00 N ATOM 713 CA TYR A 728 53.439 -9.174 18.387 1.00 0.00 C ATOM 714 C TYR A 728 53.313 -10.696 18.389 1.00 0.00 C ATOM 715 O TYR A 728 53.167 -11.316 17.337 1.00 0.00 O ATOM 716 CB TYR A 728 52.072 -8.545 18.087 1.00 0.00 C ATOM 717 CG TYR A 728 51.674 -7.629 19.224 1.00 0.00 C ATOM 718 CD1 TYR A 728 51.268 -8.173 20.449 1.00 0.00 C ATOM 719 CD2 TYR A 728 51.573 -6.249 19.006 1.00 0.00 C ATOM 720 CE1 TYR A 728 50.889 -7.327 21.499 1.00 0.00 C ATOM 721 CE2 TYR A 728 51.151 -5.406 20.043 1.00 0.00 C ATOM 722 CZ TYR A 728 50.806 -5.946 21.287 1.00 0.00 C ATOM 723 OH TYR A 728 50.441 -5.111 22.323 1.00 0.00 O ATOM 0 H TYR A 728 54.549 -9.394 16.616 1.00 0.00 H new ATOM 0 HA TYR A 728 53.781 -8.848 19.369 1.00 0.00 H new ATOM 0 HB2 TYR A 728 52.115 -7.984 17.153 1.00 0.00 H new ATOM 0 HB3 TYR A 728 51.322 -9.325 17.956 1.00 0.00 H new ATOM 0 HD1 TYR A 728 51.247 -9.244 20.584 1.00 0.00 H new ATOM 0 HD2 TYR A 728 51.820 -5.835 18.040 1.00 0.00 H new ATOM 0 HE1 TYR A 728 50.661 -7.740 22.471 1.00 0.00 H new ATOM 0 HE2 TYR A 728 51.092 -4.340 19.882 1.00 0.00 H new ATOM 0 HH TYR A 728 50.433 -4.183 22.008 1.00 0.00 H new TER 733 TYR A 728