USER MOD reduce.3.24.130724 H: found=0, std=0, add=1078, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1078 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 126 ASN : amide:sc= 0.125 K(o=0.21,f=-2.6!) USER MOD Set 1.2: A 129 LYS NZ :NH3+ -129:sc= 0.0894 (180deg=0) USER MOD Set 2.1: A 112 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 114 GLN : amide:sc= -0.658 K(o=-0.66,f=-2.8!) USER MOD Set 3.1: A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 105 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 3 GLN : amide:sc= -0.0409 X(o=-0.3,f=-0.66) USER MOD Set 4.2: A 8 MET CE :methyl 167:sc= -0.256 (180deg=-0.46) USER MOD Single : A 1 ALA N :NH3+ 176:sc= 0 (180deg=-0.0138) USER MOD Single : A 4 GLN :FLIP amide:sc= -0.511 F(o=-2.5,f=-0.51) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.11) USER MOD Single : A 12 GLN : amide:sc= -0.209 K(o=-0.21,f=-1.8) USER MOD Single : A 25 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.051) USER MOD Single : A 26 TYR OH : rot 165:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.32 K(o=-0.32,f=-2.2!) USER MOD Single : A 31 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -115:sc= -2.76! (180deg=-6.32!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -7.93! C(o=-7.9!,f=-7.6!) USER MOD Single : A 49 GLN : amide:sc= -4.42! C(o=-4.4!,f=-5.7!) USER MOD Single : A 50 MET CE :methyl 146:sc= -4.87! (180deg=-7.23!) USER MOD Single : A 53 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-3) USER MOD Single : A 56 LYS NZ :NH3+ -137:sc= -0.934 (180deg=-2.95!) USER MOD Single : A 68 MET CE :methyl 153:sc=-0.000387 (180deg=-0.604) USER MOD Single : A 70 MET CE :methyl 157:sc= -4.71! (180deg=-7.35!) USER MOD Single : A 71 CYS SG : rot -97:sc= -6.98! USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -3.56 K(o=-3.6,f=-6.3!) USER MOD Single : A 78 THR OG1 : rot 69:sc= -3.03 USER MOD Single : A 81 THR OG1 : rot -112:sc= 0.395 USER MOD Single : A 83 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0443) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 100 CYS SG : rot -56:sc= -4.44! USER MOD Single : A 104 GLN : amide:sc= -1.01 X(o=-1,f=-1.1) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 110:sc= -0.395 USER MOD Single : A 123 MET CE :methyl 167:sc= -13.5! (180deg=-14.6!) USER MOD Single : A 125 GLN : amide:sc= -0.799 K(o=-0.8,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -6.418 27.161 4.993 1.00 0.00 N ATOM 2 CA ALA A 1 -5.131 26.595 5.476 1.00 0.00 C ATOM 3 C ALA A 1 -5.087 25.084 5.269 1.00 0.00 C ATOM 4 O ALA A 1 -4.696 24.334 6.164 1.00 0.00 O ATOM 5 CB ALA A 1 -4.925 26.936 6.944 1.00 0.00 C ATOM 0 H1 ALA A 1 -6.452 28.178 5.206 1.00 0.00 H new ATOM 0 H2 ALA A 1 -6.496 27.020 3.966 1.00 0.00 H new ATOM 0 H3 ALA A 1 -7.209 26.681 5.469 1.00 0.00 H new ATOM 0 HA ALA A 1 -4.323 27.039 4.895 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -3.979 26.516 7.286 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -4.907 28.019 7.067 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -5.742 26.518 7.533 1.00 0.00 H new ATOM 13 N ARG A 2 -5.493 24.643 4.082 1.00 0.00 N ATOM 14 CA ARG A 2 -5.499 23.220 3.757 1.00 0.00 C ATOM 15 C ARG A 2 -4.108 22.618 3.916 1.00 0.00 C ATOM 16 O ARG A 2 -3.898 21.716 4.728 1.00 0.00 O ATOM 17 CB ARG A 2 -6.013 22.990 2.331 1.00 0.00 C ATOM 18 CG ARG A 2 -5.575 24.055 1.338 1.00 0.00 C ATOM 19 CD ARG A 2 -6.758 24.866 0.831 1.00 0.00 C ATOM 20 NE ARG A 2 -6.385 26.248 0.534 1.00 0.00 N ATOM 21 CZ ARG A 2 -7.091 27.055 -0.256 1.00 0.00 C ATOM 22 NH1 ARG A 2 -8.208 26.625 -0.828 1.00 0.00 N ATOM 23 NH2 ARG A 2 -6.677 28.295 -0.475 1.00 0.00 N ATOM 0 H ARG A 2 -5.822 25.249 3.330 1.00 0.00 H new ATOM 0 HA ARG A 2 -6.172 22.722 4.455 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -5.665 22.018 1.983 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -7.102 22.951 2.350 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -4.853 24.720 1.811 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -5.069 23.583 0.496 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -7.161 24.398 -0.067 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -7.551 24.857 1.578 1.00 0.00 H new ATOM 0 HE ARG A 2 -5.533 26.616 0.957 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -8.531 25.671 -0.664 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -8.744 27.248 -1.432 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -5.818 28.631 -0.039 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -7.217 28.914 -1.080 1.00 0.00 H new ATOM 37 N GLN A 3 -3.162 23.131 3.142 1.00 0.00 N ATOM 38 CA GLN A 3 -1.785 22.654 3.199 1.00 0.00 C ATOM 39 C GLN A 3 -1.177 22.951 4.564 1.00 0.00 C ATOM 40 O GLN A 3 -0.369 22.178 5.077 1.00 0.00 O ATOM 41 CB GLN A 3 -0.951 23.311 2.095 1.00 0.00 C ATOM 42 CG GLN A 3 0.543 23.058 2.221 1.00 0.00 C ATOM 43 CD GLN A 3 1.134 22.412 0.983 1.00 0.00 C ATOM 44 OE1 GLN A 3 0.823 22.799 -0.142 1.00 0.00 O ATOM 45 NE2 GLN A 3 1.993 21.419 1.188 1.00 0.00 N ATOM 0 H GLN A 3 -3.322 23.878 2.466 1.00 0.00 H new ATOM 0 HA GLN A 3 -1.784 21.575 3.045 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -1.292 22.943 1.127 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.130 24.386 2.108 1.00 0.00 H new ATOM 0 HG2 GLN A 3 1.052 24.003 2.411 1.00 0.00 H new ATOM 0 HG3 GLN A 3 0.727 22.417 3.083 1.00 0.00 H new ATOM 0 HE21 GLN A 3 2.222 21.131 2.139 1.00 0.00 H new ATOM 0 HE22 GLN A 3 2.423 20.945 0.394 1.00 0.00 H new ATOM 54 N GLN A 4 -1.571 24.072 5.150 1.00 0.00 N ATOM 55 CA GLN A 4 -1.065 24.469 6.459 1.00 0.00 C ATOM 56 C GLN A 4 -1.354 23.390 7.495 1.00 0.00 C ATOM 57 O GLN A 4 -0.574 23.181 8.425 1.00 0.00 O ATOM 58 CB GLN A 4 -1.688 25.795 6.888 1.00 0.00 C ATOM 59 CG GLN A 4 -1.516 26.900 5.860 1.00 0.00 C ATOM 60 CD GLN A 4 -0.059 27.213 5.576 1.00 0.00 C ATOM 61 OE1 GLN A 4 0.622 26.305 4.883 1.00 0.00 O flip ATOM 62 NE2 GLN A 4 0.452 28.259 5.978 1.00 0.00 N flip ATOM 0 H GLN A 4 -2.240 24.724 4.741 1.00 0.00 H new ATOM 0 HA GLN A 4 0.015 24.597 6.386 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -2.751 25.645 7.076 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -1.240 26.111 7.830 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -2.008 26.608 4.932 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -2.015 27.802 6.215 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -0.106 28.929 6.507 1.00 0.00 H new ATOM 0 HE22 GLN A 4 1.434 28.455 5.782 1.00 0.00 H new ATOM 71 N GLU A 5 -2.477 22.703 7.324 1.00 0.00 N ATOM 72 CA GLU A 5 -2.866 21.638 8.236 1.00 0.00 C ATOM 73 C GLU A 5 -2.070 20.373 7.935 1.00 0.00 C ATOM 74 O GLU A 5 -1.433 19.799 8.820 1.00 0.00 O ATOM 75 CB GLU A 5 -4.380 21.388 8.139 1.00 0.00 C ATOM 76 CG GLU A 5 -4.781 19.923 8.066 1.00 0.00 C ATOM 77 CD GLU A 5 -6.237 19.699 8.422 1.00 0.00 C ATOM 78 OE1 GLU A 5 -7.110 20.263 7.730 1.00 0.00 O ATOM 79 OE2 GLU A 5 -6.505 18.962 9.394 1.00 0.00 O ATOM 0 H GLU A 5 -3.134 22.866 6.561 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.641 21.938 9.259 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.865 21.840 9.004 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.763 21.899 7.256 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.595 19.549 7.059 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.152 19.344 8.742 1.00 0.00 H new ATOM 86 N ILE A 6 -2.100 19.955 6.679 1.00 0.00 N ATOM 87 CA ILE A 6 -1.370 18.772 6.248 1.00 0.00 C ATOM 88 C ILE A 6 0.121 18.962 6.477 1.00 0.00 C ATOM 89 O ILE A 6 0.750 18.237 7.248 1.00 0.00 O ATOM 90 CB ILE A 6 -1.597 18.489 4.750 1.00 0.00 C ATOM 91 CG1 ILE A 6 -3.075 18.218 4.474 1.00 0.00 C ATOM 92 CG2 ILE A 6 -0.734 17.328 4.281 1.00 0.00 C ATOM 93 CD1 ILE A 6 -3.704 19.250 3.571 1.00 0.00 C ATOM 0 H ILE A 6 -2.624 20.419 5.937 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.740 17.931 6.834 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.302 19.374 4.186 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.180 17.233 4.019 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.617 18.192 5.419 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.912 17.147 3.221 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.317 17.570 4.436 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.988 16.433 4.849 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.754 19.003 3.412 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.629 20.234 4.035 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -3.185 19.260 2.613 1.00 0.00 H new ATOM 105 N ASP A 7 0.667 19.953 5.789 1.00 0.00 N ATOM 106 CA ASP A 7 2.085 20.284 5.878 1.00 0.00 C ATOM 107 C ASP A 7 2.955 19.028 5.881 1.00 0.00 C ATOM 108 O ASP A 7 3.480 18.627 6.921 1.00 0.00 O ATOM 109 CB ASP A 7 2.359 21.113 7.133 1.00 0.00 C ATOM 110 CG ASP A 7 3.659 21.887 7.043 1.00 0.00 C ATOM 111 OD1 ASP A 7 4.717 21.315 7.383 1.00 0.00 O ATOM 112 OD2 ASP A 7 3.621 23.066 6.631 1.00 0.00 O ATOM 0 H ASP A 7 0.141 20.552 5.152 1.00 0.00 H new ATOM 0 HA ASP A 7 2.344 20.870 4.996 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.535 21.809 7.292 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.391 20.454 8.000 1.00 0.00 H new ATOM 117 N MET A 8 3.103 18.410 4.712 1.00 0.00 N ATOM 118 CA MET A 8 3.910 17.199 4.587 1.00 0.00 C ATOM 119 C MET A 8 5.343 17.440 5.059 1.00 0.00 C ATOM 120 O MET A 8 5.753 16.934 6.101 1.00 0.00 O ATOM 121 CB MET A 8 3.901 16.683 3.143 1.00 0.00 C ATOM 122 CG MET A 8 4.057 17.771 2.088 1.00 0.00 C ATOM 123 SD MET A 8 2.897 17.589 0.719 1.00 0.00 S ATOM 124 CE MET A 8 1.346 17.956 1.536 1.00 0.00 C ATOM 0 H MET A 8 2.677 18.726 3.841 1.00 0.00 H new ATOM 0 HA MET A 8 3.466 16.437 5.228 1.00 0.00 H new ATOM 0 HB2 MET A 8 4.707 15.959 3.023 1.00 0.00 H new ATOM 0 HB3 MET A 8 2.966 16.152 2.965 1.00 0.00 H new ATOM 0 HG2 MET A 8 3.912 18.746 2.554 1.00 0.00 H new ATOM 0 HG3 MET A 8 5.075 17.751 1.700 1.00 0.00 H new ATOM 0 HE1 MET A 8 0.569 18.112 0.788 1.00 0.00 H new ATOM 0 HE2 MET A 8 1.068 17.122 2.180 1.00 0.00 H new ATOM 0 HE3 MET A 8 1.456 18.858 2.138 1.00 0.00 H new ATOM 134 N LYS A 9 6.096 18.220 4.289 1.00 0.00 N ATOM 135 CA LYS A 9 7.483 18.534 4.626 1.00 0.00 C ATOM 136 C LYS A 9 8.247 17.286 5.063 1.00 0.00 C ATOM 137 O LYS A 9 9.034 17.324 6.008 1.00 0.00 O ATOM 138 CB LYS A 9 7.531 19.591 5.732 1.00 0.00 C ATOM 139 CG LYS A 9 7.533 21.018 5.207 1.00 0.00 C ATOM 140 CD LYS A 9 7.919 22.013 6.292 1.00 0.00 C ATOM 141 CE LYS A 9 6.849 23.079 6.482 1.00 0.00 C ATOM 142 NZ LYS A 9 7.433 24.446 6.558 1.00 0.00 N ATOM 0 H LYS A 9 5.768 18.648 3.423 1.00 0.00 H new ATOM 0 HA LYS A 9 7.964 18.927 3.730 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.673 19.456 6.391 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.424 19.433 6.336 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.231 21.099 4.373 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.544 21.266 4.820 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.077 21.484 7.232 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.864 22.488 6.031 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.140 23.033 5.655 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.289 22.872 7.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.671 25.142 6.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.090 24.498 7.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.946 24.654 5.677 1.00 0.00 H new ATOM 156 N ARG A 10 8.008 16.179 4.368 1.00 0.00 N ATOM 157 CA ARG A 10 8.672 14.919 4.685 1.00 0.00 C ATOM 158 C ARG A 10 9.002 14.140 3.415 1.00 0.00 C ATOM 159 O ARG A 10 8.430 14.391 2.355 1.00 0.00 O ATOM 160 CB ARG A 10 7.787 14.066 5.597 1.00 0.00 C ATOM 161 CG ARG A 10 7.921 14.413 7.074 1.00 0.00 C ATOM 162 CD ARG A 10 6.593 14.852 7.672 1.00 0.00 C ATOM 163 NE ARG A 10 6.156 13.966 8.748 1.00 0.00 N ATOM 164 CZ ARG A 10 5.519 12.814 8.548 1.00 0.00 C ATOM 165 NH1 ARG A 10 5.255 12.397 7.316 1.00 0.00 N ATOM 166 NH2 ARG A 10 5.147 12.075 9.584 1.00 0.00 N ATOM 0 H ARG A 10 7.360 16.128 3.582 1.00 0.00 H new ATOM 0 HA ARG A 10 9.603 15.152 5.202 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.746 14.188 5.297 1.00 0.00 H new ATOM 0 HB3 ARG A 10 8.039 13.015 5.455 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.297 13.547 7.619 1.00 0.00 H new ATOM 0 HG3 ARG A 10 8.656 15.209 7.196 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.687 15.868 8.055 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.834 14.875 6.890 1.00 0.00 H new ATOM 0 HE ARG A 10 6.350 14.246 9.709 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.540 12.960 6.515 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.767 11.513 7.170 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.349 12.389 10.533 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.659 11.192 9.432 1.00 0.00 H new ATOM 180 N GLN A 11 9.925 13.191 3.534 1.00 0.00 N ATOM 181 CA GLN A 11 10.325 12.371 2.396 1.00 0.00 C ATOM 182 C GLN A 11 9.204 11.416 2.003 1.00 0.00 C ATOM 183 O GLN A 11 8.447 10.951 2.853 1.00 0.00 O ATOM 184 CB GLN A 11 11.591 11.579 2.730 1.00 0.00 C ATOM 185 CG GLN A 11 12.853 12.427 2.751 1.00 0.00 C ATOM 186 CD GLN A 11 13.232 12.939 1.375 1.00 0.00 C ATOM 187 OE1 GLN A 11 13.419 12.161 0.440 1.00 0.00 O ATOM 188 NE2 GLN A 11 13.347 14.256 1.246 1.00 0.00 N ATOM 0 H GLN A 11 10.409 12.971 4.405 1.00 0.00 H new ATOM 0 HA GLN A 11 10.532 13.032 1.555 1.00 0.00 H new ATOM 0 HB2 GLN A 11 11.466 11.104 3.703 1.00 0.00 H new ATOM 0 HB3 GLN A 11 11.713 10.780 1.999 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.707 13.273 3.422 1.00 0.00 H new ATOM 0 HG3 GLN A 11 13.676 11.838 3.155 1.00 0.00 H new ATOM 0 HE21 GLN A 11 13.183 14.863 2.049 1.00 0.00 H new ATOM 0 HE22 GLN A 11 13.600 14.660 0.344 1.00 0.00 H new ATOM 197 N GLN A 12 9.100 11.130 0.711 1.00 0.00 N ATOM 198 CA GLN A 12 8.066 10.232 0.210 1.00 0.00 C ATOM 199 C GLN A 12 8.679 8.943 -0.331 1.00 0.00 C ATOM 200 O GLN A 12 9.393 8.958 -1.333 1.00 0.00 O ATOM 201 CB GLN A 12 7.252 10.922 -0.883 1.00 0.00 C ATOM 202 CG GLN A 12 6.128 11.793 -0.345 1.00 0.00 C ATOM 203 CD GLN A 12 6.640 13.015 0.391 1.00 0.00 C ATOM 204 OE1 GLN A 12 7.714 13.533 0.086 1.00 0.00 O ATOM 205 NE2 GLN A 12 5.871 13.483 1.369 1.00 0.00 N ATOM 0 H GLN A 12 9.718 11.506 -0.008 1.00 0.00 H new ATOM 0 HA GLN A 12 7.406 9.977 1.039 1.00 0.00 H new ATOM 0 HB2 GLN A 12 7.919 11.536 -1.488 1.00 0.00 H new ATOM 0 HB3 GLN A 12 6.830 10.164 -1.543 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.492 12.111 -1.171 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.506 11.203 0.327 1.00 0.00 H new ATOM 0 HE21 GLN A 12 4.988 13.022 1.588 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.164 14.303 1.900 1.00 0.00 H new ATOM 214 N ARG A 13 8.393 7.831 0.338 1.00 0.00 N ATOM 215 CA ARG A 13 8.914 6.535 -0.079 1.00 0.00 C ATOM 216 C ARG A 13 7.788 5.524 -0.257 1.00 0.00 C ATOM 217 O ARG A 13 7.009 5.277 0.662 1.00 0.00 O ATOM 218 CB ARG A 13 9.924 6.004 0.941 1.00 0.00 C ATOM 219 CG ARG A 13 10.917 7.050 1.422 1.00 0.00 C ATOM 220 CD ARG A 13 12.349 6.549 1.317 1.00 0.00 C ATOM 221 NE ARG A 13 13.186 7.048 2.405 1.00 0.00 N ATOM 222 CZ ARG A 13 14.319 6.468 2.796 1.00 0.00 C ATOM 223 NH1 ARG A 13 14.755 5.370 2.189 1.00 0.00 N ATOM 224 NH2 ARG A 13 15.018 6.986 3.795 1.00 0.00 N ATOM 0 H ARG A 13 7.804 7.801 1.170 1.00 0.00 H new ATOM 0 HA ARG A 13 9.414 6.674 -1.037 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.384 5.607 1.800 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.472 5.173 0.497 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.804 7.959 0.831 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.697 7.313 2.457 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.353 5.459 1.327 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.773 6.860 0.362 1.00 0.00 H new ATOM 0 HE ARG A 13 12.885 7.891 2.894 1.00 0.00 H new ATOM 0 HH11 ARG A 13 14.221 4.967 1.419 1.00 0.00 H new ATOM 0 HH12 ARG A 13 15.624 4.930 2.493 1.00 0.00 H new ATOM 0 HH21 ARG A 13 14.688 7.829 4.265 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.886 6.542 4.094 1.00 0.00 H new ATOM 238 N PHE A 14 7.711 4.938 -1.446 1.00 0.00 N ATOM 239 CA PHE A 14 6.685 3.946 -1.749 1.00 0.00 C ATOM 240 C PHE A 14 7.337 2.587 -1.969 1.00 0.00 C ATOM 241 O PHE A 14 8.355 2.487 -2.651 1.00 0.00 O ATOM 242 CB PHE A 14 5.885 4.364 -2.988 1.00 0.00 C ATOM 243 CG PHE A 14 5.801 5.855 -3.179 1.00 0.00 C ATOM 244 CD1 PHE A 14 5.657 6.697 -2.087 1.00 0.00 C ATOM 245 CD2 PHE A 14 5.876 6.415 -4.445 1.00 0.00 C ATOM 246 CE1 PHE A 14 5.588 8.066 -2.252 1.00 0.00 C ATOM 247 CE2 PHE A 14 5.809 7.784 -4.616 1.00 0.00 C ATOM 248 CZ PHE A 14 5.664 8.612 -3.517 1.00 0.00 C ATOM 0 H PHE A 14 8.348 5.133 -2.218 1.00 0.00 H new ATOM 0 HA PHE A 14 5.996 3.878 -0.907 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.342 3.918 -3.872 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.876 3.959 -2.912 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.598 6.276 -1.094 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.988 5.774 -5.307 1.00 0.00 H new ATOM 0 HE1 PHE A 14 5.475 8.709 -1.392 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.870 8.208 -5.607 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.610 9.683 -3.649 1.00 0.00 H new ATOM 258 N PHE A 15 6.766 1.545 -1.374 1.00 0.00 N ATOM 259 CA PHE A 15 7.334 0.206 -1.502 1.00 0.00 C ATOM 260 C PHE A 15 6.273 -0.841 -1.829 1.00 0.00 C ATOM 261 O PHE A 15 5.077 -0.630 -1.613 1.00 0.00 O ATOM 262 CB PHE A 15 8.063 -0.182 -0.213 1.00 0.00 C ATOM 263 CG PHE A 15 8.755 0.970 0.464 1.00 0.00 C ATOM 264 CD1 PHE A 15 10.058 1.305 0.132 1.00 0.00 C ATOM 265 CD2 PHE A 15 8.100 1.717 1.430 1.00 0.00 C ATOM 266 CE1 PHE A 15 10.694 2.366 0.752 1.00 0.00 C ATOM 267 CE2 PHE A 15 8.730 2.777 2.052 1.00 0.00 C ATOM 268 CZ PHE A 15 10.028 3.103 1.714 1.00 0.00 C ATOM 0 H PHE A 15 5.921 1.599 -0.805 1.00 0.00 H new ATOM 0 HA PHE A 15 8.040 0.232 -2.332 1.00 0.00 H new ATOM 0 HB2 PHE A 15 7.346 -0.621 0.481 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.799 -0.953 -0.441 1.00 0.00 H new ATOM 0 HD1 PHE A 15 10.582 0.732 -0.618 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.084 1.467 1.700 1.00 0.00 H new ATOM 0 HE1 PHE A 15 11.710 2.618 0.485 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.207 3.351 2.803 1.00 0.00 H new ATOM 0 HZ PHE A 15 10.522 3.932 2.200 1.00 0.00 H new ATOM 278 N ARG A 16 6.739 -1.976 -2.349 1.00 0.00 N ATOM 279 CA ARG A 16 5.872 -3.090 -2.715 1.00 0.00 C ATOM 280 C ARG A 16 6.621 -4.408 -2.540 1.00 0.00 C ATOM 281 O ARG A 16 7.824 -4.479 -2.788 1.00 0.00 O ATOM 282 CB ARG A 16 5.401 -2.943 -4.164 1.00 0.00 C ATOM 283 CG ARG A 16 4.583 -4.122 -4.672 1.00 0.00 C ATOM 284 CD ARG A 16 4.750 -4.311 -6.174 1.00 0.00 C ATOM 285 NE ARG A 16 5.523 -5.510 -6.496 1.00 0.00 N ATOM 286 CZ ARG A 16 6.838 -5.517 -6.714 1.00 0.00 C ATOM 287 NH1 ARG A 16 7.543 -4.396 -6.637 1.00 0.00 N ATOM 288 NH2 ARG A 16 7.452 -6.656 -7.008 1.00 0.00 N ATOM 0 H ARG A 16 7.729 -2.147 -2.528 1.00 0.00 H new ATOM 0 HA ARG A 16 4.999 -3.086 -2.063 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.804 -2.035 -4.251 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.272 -2.814 -4.807 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.891 -5.030 -4.153 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.530 -3.963 -4.439 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.768 -4.377 -6.642 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.246 -3.437 -6.596 1.00 0.00 H new ATOM 0 HE ARG A 16 5.024 -6.397 -6.558 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.079 -3.517 -6.409 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.549 -4.413 -6.806 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.918 -7.523 -7.067 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.458 -6.665 -7.175 1.00 0.00 H new ATOM 302 N ILE A 17 5.914 -5.449 -2.110 1.00 0.00 N ATOM 303 CA ILE A 17 6.545 -6.750 -1.912 1.00 0.00 C ATOM 304 C ILE A 17 5.549 -7.901 -2.064 1.00 0.00 C ATOM 305 O ILE A 17 4.592 -8.009 -1.295 1.00 0.00 O ATOM 306 CB ILE A 17 7.219 -6.854 -0.524 1.00 0.00 C ATOM 307 CG1 ILE A 17 6.485 -5.992 0.508 1.00 0.00 C ATOM 308 CG2 ILE A 17 8.683 -6.448 -0.620 1.00 0.00 C ATOM 309 CD1 ILE A 17 7.188 -5.920 1.847 1.00 0.00 C ATOM 0 H ILE A 17 4.917 -5.419 -1.894 1.00 0.00 H new ATOM 0 HA ILE A 17 7.305 -6.834 -2.689 1.00 0.00 H new ATOM 0 HB ILE A 17 7.165 -7.891 -0.192 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.372 -4.983 0.112 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.481 -6.391 0.655 1.00 0.00 H new ATOM 0 HG21 ILE A 17 9.147 -6.525 0.363 1.00 0.00 H new ATOM 0 HG22 ILE A 17 9.199 -7.108 -1.318 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.753 -5.420 -0.975 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.612 -5.293 2.527 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.278 -6.923 2.265 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.182 -5.492 1.714 1.00 0.00 H new ATOM 321 N PRO A 18 5.765 -8.786 -3.061 1.00 0.00 N ATOM 322 CA PRO A 18 4.898 -9.935 -3.308 1.00 0.00 C ATOM 323 C PRO A 18 5.261 -11.119 -2.419 1.00 0.00 C ATOM 324 O PRO A 18 6.076 -11.961 -2.799 1.00 0.00 O ATOM 325 CB PRO A 18 5.163 -10.285 -4.782 1.00 0.00 C ATOM 326 CG PRO A 18 6.231 -9.345 -5.254 1.00 0.00 C ATOM 327 CD PRO A 18 6.864 -8.751 -4.027 1.00 0.00 C ATOM 0 HA PRO A 18 3.854 -9.709 -3.094 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.485 -11.321 -4.883 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.256 -10.173 -5.377 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.972 -9.873 -5.854 1.00 0.00 H new ATOM 0 HG3 PRO A 18 5.807 -8.565 -5.886 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.721 -9.333 -3.689 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.218 -7.735 -4.203 1.00 0.00 H new ATOM 335 N PHE A 19 4.661 -11.184 -1.237 1.00 0.00 N ATOM 336 CA PHE A 19 4.937 -12.273 -0.307 1.00 0.00 C ATOM 337 C PHE A 19 3.805 -13.294 -0.310 1.00 0.00 C ATOM 338 O PHE A 19 2.628 -12.934 -0.309 1.00 0.00 O ATOM 339 CB PHE A 19 5.152 -11.729 1.107 1.00 0.00 C ATOM 340 CG PHE A 19 3.967 -10.986 1.654 1.00 0.00 C ATOM 341 CD1 PHE A 19 2.850 -11.672 2.100 1.00 0.00 C ATOM 342 CD2 PHE A 19 3.972 -9.602 1.722 1.00 0.00 C ATOM 343 CE1 PHE A 19 1.758 -10.992 2.605 1.00 0.00 C ATOM 344 CE2 PHE A 19 2.884 -8.916 2.226 1.00 0.00 C ATOM 345 CZ PHE A 19 1.776 -9.612 2.668 1.00 0.00 C ATOM 0 H PHE A 19 3.984 -10.500 -0.900 1.00 0.00 H new ATOM 0 HA PHE A 19 5.849 -12.772 -0.635 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.389 -12.558 1.774 1.00 0.00 H new ATOM 0 HB3 PHE A 19 6.016 -11.065 1.104 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.832 -12.751 2.053 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.836 -9.054 1.377 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.892 -11.538 2.950 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.900 -7.837 2.274 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.924 -9.078 3.063 1.00 0.00 H new ATOM 355 N ILE A 20 4.171 -14.572 -0.317 1.00 0.00 N ATOM 356 CA ILE A 20 3.187 -15.647 -0.321 1.00 0.00 C ATOM 357 C ILE A 20 2.725 -15.971 1.092 1.00 0.00 C ATOM 358 O ILE A 20 3.526 -16.000 2.027 1.00 0.00 O ATOM 359 CB ILE A 20 3.745 -16.933 -0.962 1.00 0.00 C ATOM 360 CG1 ILE A 20 4.538 -16.609 -2.224 1.00 0.00 C ATOM 361 CG2 ILE A 20 2.615 -17.896 -1.286 1.00 0.00 C ATOM 362 CD1 ILE A 20 5.356 -17.773 -2.736 1.00 0.00 C ATOM 0 H ILE A 20 5.141 -14.887 -0.320 1.00 0.00 H new ATOM 0 HA ILE A 20 2.344 -15.291 -0.913 1.00 0.00 H new ATOM 0 HB ILE A 20 4.416 -17.406 -0.246 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.848 -16.288 -3.005 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.203 -15.769 -2.021 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.025 -18.799 -1.738 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.085 -18.157 -0.370 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.923 -17.423 -1.983 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.894 -17.472 -3.635 1.00 0.00 H new ATOM 0 HD12 ILE A 20 6.070 -18.080 -1.972 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.695 -18.607 -2.971 1.00 0.00 H new ATOM 374 N ARG A 21 1.432 -16.220 1.242 1.00 0.00 N ATOM 375 CA ARG A 21 0.868 -16.552 2.543 1.00 0.00 C ATOM 376 C ARG A 21 1.508 -17.828 3.087 1.00 0.00 C ATOM 377 O ARG A 21 1.734 -18.779 2.341 1.00 0.00 O ATOM 378 CB ARG A 21 -0.649 -16.724 2.437 1.00 0.00 C ATOM 379 CG ARG A 21 -1.435 -15.708 3.248 1.00 0.00 C ATOM 380 CD ARG A 21 -2.910 -15.725 2.884 1.00 0.00 C ATOM 381 NE ARG A 21 -3.728 -16.304 3.947 1.00 0.00 N ATOM 382 CZ ARG A 21 -4.953 -16.793 3.758 1.00 0.00 C ATOM 383 NH1 ARG A 21 -5.506 -16.773 2.551 1.00 0.00 N ATOM 384 NH2 ARG A 21 -5.627 -17.303 4.781 1.00 0.00 N ATOM 0 H ARG A 21 0.754 -16.199 0.480 1.00 0.00 H new ATOM 0 HA ARG A 21 1.078 -15.734 3.232 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.943 -16.646 1.390 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.917 -17.727 2.769 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.319 -15.921 4.311 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.028 -14.711 3.077 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.245 -14.708 2.681 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.051 -16.296 1.966 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.339 -16.336 4.889 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.993 -16.382 1.761 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.444 -17.149 2.414 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.207 -17.320 5.710 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.565 -17.678 4.638 1.00 0.00 H new ATOM 398 N PRO A 22 1.813 -17.868 4.394 1.00 0.00 N ATOM 399 CA PRO A 22 2.433 -19.040 5.021 1.00 0.00 C ATOM 400 C PRO A 22 1.591 -20.297 4.855 1.00 0.00 C ATOM 401 O PRO A 22 2.085 -21.340 4.427 1.00 0.00 O ATOM 402 CB PRO A 22 2.539 -18.653 6.503 1.00 0.00 C ATOM 403 CG PRO A 22 1.602 -17.507 6.678 1.00 0.00 C ATOM 404 CD PRO A 22 1.582 -16.786 5.363 1.00 0.00 C ATOM 0 HA PRO A 22 3.395 -19.279 4.567 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.264 -19.488 7.148 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.559 -18.371 6.764 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.605 -17.856 6.947 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.936 -16.848 7.479 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.629 -16.285 5.191 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.358 -16.022 5.309 1.00 0.00 H new ATOM 412 N ALA A 23 0.315 -20.192 5.194 1.00 0.00 N ATOM 413 CA ALA A 23 -0.599 -21.320 5.083 1.00 0.00 C ATOM 414 C ALA A 23 -0.577 -21.906 3.679 1.00 0.00 C ATOM 415 O ALA A 23 -0.284 -23.086 3.491 1.00 0.00 O ATOM 416 CB ALA A 23 -2.011 -20.896 5.459 1.00 0.00 C ATOM 0 H ALA A 23 -0.112 -19.336 5.549 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.268 -22.093 5.776 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.683 -21.750 5.371 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.020 -20.531 6.486 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.343 -20.103 4.789 1.00 0.00 H new ATOM 422 N ASP A 24 -0.890 -21.070 2.699 1.00 0.00 N ATOM 423 CA ASP A 24 -0.910 -21.494 1.303 1.00 0.00 C ATOM 424 C ASP A 24 0.494 -21.848 0.819 1.00 0.00 C ATOM 425 O ASP A 24 0.670 -22.730 -0.024 1.00 0.00 O ATOM 426 CB ASP A 24 -1.499 -20.388 0.426 1.00 0.00 C ATOM 427 CG ASP A 24 -3.003 -20.269 0.578 1.00 0.00 C ATOM 428 OD1 ASP A 24 -3.695 -21.301 0.467 1.00 0.00 O ATOM 429 OD2 ASP A 24 -3.488 -19.140 0.809 1.00 0.00 O ATOM 0 H ASP A 24 -1.135 -20.090 2.844 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.534 -22.384 1.227 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.034 -19.437 0.685 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.257 -20.588 -0.618 1.00 0.00 H new ATOM 434 N GLN A 25 1.486 -21.145 1.359 1.00 0.00 N ATOM 435 CA GLN A 25 2.884 -21.359 0.995 1.00 0.00 C ATOM 436 C GLN A 25 3.259 -22.836 1.075 1.00 0.00 C ATOM 437 O GLN A 25 3.799 -23.401 0.123 1.00 0.00 O ATOM 438 CB GLN A 25 3.788 -20.518 1.912 1.00 0.00 C ATOM 439 CG GLN A 25 5.247 -20.953 1.947 1.00 0.00 C ATOM 440 CD GLN A 25 6.153 -20.020 1.164 1.00 0.00 C ATOM 441 OE1 GLN A 25 6.903 -20.455 0.289 1.00 0.00 O ATOM 442 NE2 GLN A 25 6.087 -18.732 1.476 1.00 0.00 N ATOM 0 H GLN A 25 1.345 -20.415 2.057 1.00 0.00 H new ATOM 0 HA GLN A 25 3.026 -21.043 -0.038 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.742 -19.478 1.589 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.388 -20.555 2.925 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.584 -20.997 2.983 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.332 -21.961 1.541 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.451 -18.417 2.208 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.672 -18.057 0.984 1.00 0.00 H new ATOM 451 N TYR A 26 2.981 -23.454 2.215 1.00 0.00 N ATOM 452 CA TYR A 26 3.309 -24.863 2.409 1.00 0.00 C ATOM 453 C TYR A 26 2.103 -25.769 2.168 1.00 0.00 C ATOM 454 O TYR A 26 2.257 -26.979 2.000 1.00 0.00 O ATOM 455 CB TYR A 26 3.875 -25.108 3.811 1.00 0.00 C ATOM 456 CG TYR A 26 3.240 -24.265 4.892 1.00 0.00 C ATOM 457 CD1 TYR A 26 1.941 -24.507 5.313 1.00 0.00 C ATOM 458 CD2 TYR A 26 3.945 -23.231 5.492 1.00 0.00 C ATOM 459 CE1 TYR A 26 1.360 -23.742 6.304 1.00 0.00 C ATOM 460 CE2 TYR A 26 3.371 -22.459 6.483 1.00 0.00 C ATOM 461 CZ TYR A 26 2.078 -22.718 6.887 1.00 0.00 C ATOM 462 OH TYR A 26 1.503 -21.954 7.874 1.00 0.00 O ATOM 0 H TYR A 26 2.533 -23.007 3.015 1.00 0.00 H new ATOM 0 HA TYR A 26 4.071 -25.114 1.671 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.746 -26.160 4.064 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.947 -24.913 3.797 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.375 -25.307 4.858 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.958 -23.027 5.179 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.348 -23.944 6.622 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.932 -21.657 6.939 1.00 0.00 H new ATOM 0 HH TYR A 26 2.199 -21.446 8.342 1.00 0.00 H new ATOM 472 N LYS A 27 0.907 -25.191 2.147 1.00 0.00 N ATOM 473 CA LYS A 27 -0.305 -25.971 1.921 1.00 0.00 C ATOM 474 C LYS A 27 -0.262 -26.652 0.558 1.00 0.00 C ATOM 475 O LYS A 27 -0.563 -27.838 0.434 1.00 0.00 O ATOM 476 CB LYS A 27 -1.546 -25.084 2.016 1.00 0.00 C ATOM 477 CG LYS A 27 -2.227 -25.134 3.374 1.00 0.00 C ATOM 478 CD LYS A 27 -3.033 -23.873 3.638 1.00 0.00 C ATOM 479 CE LYS A 27 -4.462 -24.005 3.135 1.00 0.00 C ATOM 480 NZ LYS A 27 -5.440 -24.094 4.252 1.00 0.00 N ATOM 0 H LYS A 27 0.751 -24.192 2.283 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.359 -26.736 2.696 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.264 -24.054 1.798 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.259 -25.388 1.250 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.883 -26.003 3.422 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.476 -25.258 4.155 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.041 -23.663 4.708 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.552 -23.025 3.151 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.706 -23.148 2.507 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.545 -24.893 2.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.401 -24.183 3.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.224 -24.926 4.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.380 -23.235 4.836 1.00 0.00 H new ATOM 494 N ASP A 28 0.114 -25.891 -0.463 1.00 0.00 N ATOM 495 CA ASP A 28 0.195 -26.424 -1.819 1.00 0.00 C ATOM 496 C ASP A 28 1.052 -25.527 -2.710 1.00 0.00 C ATOM 497 O ASP A 28 0.951 -24.302 -2.647 1.00 0.00 O ATOM 498 CB ASP A 28 -1.208 -26.563 -2.413 1.00 0.00 C ATOM 499 CG ASP A 28 -1.272 -27.616 -3.502 1.00 0.00 C ATOM 500 OD1 ASP A 28 -0.826 -27.328 -4.632 1.00 0.00 O ATOM 501 OD2 ASP A 28 -1.768 -28.728 -3.225 1.00 0.00 O ATOM 0 H ASP A 28 0.367 -24.906 -0.379 1.00 0.00 H new ATOM 0 HA ASP A 28 0.664 -27.407 -1.771 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.911 -26.820 -1.621 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.524 -25.603 -2.821 1.00 0.00 H new ATOM 506 N PRO A 29 1.906 -26.127 -3.561 1.00 0.00 N ATOM 507 CA PRO A 29 2.777 -25.371 -4.468 1.00 0.00 C ATOM 508 C PRO A 29 2.008 -24.707 -5.607 1.00 0.00 C ATOM 509 O PRO A 29 2.573 -23.932 -6.379 1.00 0.00 O ATOM 510 CB PRO A 29 3.727 -26.435 -5.016 1.00 0.00 C ATOM 511 CG PRO A 29 2.953 -27.701 -4.934 1.00 0.00 C ATOM 512 CD PRO A 29 2.091 -27.583 -3.708 1.00 0.00 C ATOM 0 HA PRO A 29 3.279 -24.551 -3.954 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.020 -26.215 -6.042 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.643 -26.491 -4.428 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.344 -27.844 -5.827 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.619 -28.561 -4.861 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.139 -28.099 -3.835 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.575 -28.017 -2.833 1.00 0.00 H new ATOM 520 N GLN A 30 0.718 -25.014 -5.709 1.00 0.00 N ATOM 521 CA GLN A 30 -0.123 -24.447 -6.753 1.00 0.00 C ATOM 522 C GLN A 30 -1.147 -23.483 -6.163 1.00 0.00 C ATOM 523 O GLN A 30 -1.566 -22.528 -6.818 1.00 0.00 O ATOM 524 CB GLN A 30 -0.837 -25.558 -7.524 1.00 0.00 C ATOM 525 CG GLN A 30 -0.037 -26.094 -8.700 1.00 0.00 C ATOM 526 CD GLN A 30 -0.773 -25.956 -10.020 1.00 0.00 C ATOM 527 OE1 GLN A 30 -1.991 -25.781 -10.047 1.00 0.00 O ATOM 528 NE2 GLN A 30 -0.034 -26.034 -11.120 1.00 0.00 N ATOM 0 H GLN A 30 0.234 -25.654 -5.079 1.00 0.00 H new ATOM 0 HA GLN A 30 0.518 -23.894 -7.439 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.058 -26.379 -6.841 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.793 -25.180 -7.888 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.913 -25.562 -8.761 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.196 -27.145 -8.527 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.973 -26.180 -11.049 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.473 -25.948 -12.037 1.00 0.00 H new ATOM 537 N ASN A 31 -1.549 -23.741 -4.921 1.00 0.00 N ATOM 538 CA ASN A 31 -2.526 -22.897 -4.244 1.00 0.00 C ATOM 539 C ASN A 31 -1.841 -21.892 -3.326 1.00 0.00 C ATOM 540 O ASN A 31 -2.409 -21.472 -2.317 1.00 0.00 O ATOM 541 CB ASN A 31 -3.502 -23.755 -3.439 1.00 0.00 C ATOM 542 CG ASN A 31 -4.204 -24.792 -4.295 1.00 0.00 C ATOM 543 OD1 ASN A 31 -3.984 -25.992 -4.141 1.00 0.00 O ATOM 544 ND2 ASN A 31 -5.055 -24.330 -5.203 1.00 0.00 N ATOM 0 H ASN A 31 -1.213 -24.527 -4.365 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.078 -22.346 -5.006 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -2.963 -24.256 -2.635 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.246 -23.111 -2.970 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -5.558 -24.979 -5.808 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.206 -23.326 -5.296 1.00 0.00 H new ATOM 551 N LYS A 32 -0.623 -21.506 -3.683 1.00 0.00 N ATOM 552 CA LYS A 32 0.134 -20.542 -2.894 1.00 0.00 C ATOM 553 C LYS A 32 -0.557 -19.189 -2.900 1.00 0.00 C ATOM 554 O LYS A 32 -0.970 -18.680 -1.856 1.00 0.00 O ATOM 555 CB LYS A 32 1.547 -20.389 -3.452 1.00 0.00 C ATOM 556 CG LYS A 32 2.506 -21.475 -3.003 1.00 0.00 C ATOM 557 CD LYS A 32 3.515 -21.792 -4.092 1.00 0.00 C ATOM 558 CE LYS A 32 4.827 -22.293 -3.508 1.00 0.00 C ATOM 559 NZ LYS A 32 5.959 -22.121 -4.459 1.00 0.00 N ATOM 0 H LYS A 32 -0.138 -21.845 -4.514 1.00 0.00 H new ATOM 0 HA LYS A 32 0.189 -20.912 -1.870 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.499 -20.388 -4.541 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.944 -19.420 -3.149 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.027 -21.155 -2.101 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.948 -22.375 -2.746 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.103 -22.546 -4.763 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.699 -20.899 -4.690 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.043 -21.754 -2.585 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.729 -23.347 -3.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.835 -22.474 -4.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.765 -22.655 -5.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.069 -21.113 -4.689 1.00 0.00 H new ATOM 573 N LYS A 33 -0.671 -18.612 -4.087 1.00 0.00 N ATOM 574 CA LYS A 33 -1.305 -17.307 -4.251 1.00 0.00 C ATOM 575 C LYS A 33 -0.459 -16.218 -3.605 1.00 0.00 C ATOM 576 O LYS A 33 -0.473 -16.048 -2.385 1.00 0.00 O ATOM 577 CB LYS A 33 -2.709 -17.311 -3.644 1.00 0.00 C ATOM 578 CG LYS A 33 -3.560 -18.490 -4.087 1.00 0.00 C ATOM 579 CD LYS A 33 -3.697 -18.541 -5.601 1.00 0.00 C ATOM 580 CE LYS A 33 -4.668 -17.489 -6.108 1.00 0.00 C ATOM 581 NZ LYS A 33 -4.449 -17.182 -7.549 1.00 0.00 N ATOM 0 H LYS A 33 -0.332 -19.027 -4.955 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.387 -17.100 -5.318 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.626 -17.322 -2.557 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.216 -16.385 -3.916 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.113 -19.418 -3.730 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.548 -18.417 -3.633 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.721 -18.388 -6.061 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.040 -19.530 -5.903 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.690 -17.838 -5.962 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.555 -16.577 -5.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.131 -16.460 -7.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.482 -16.825 -7.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.581 -18.046 -8.112 1.00 0.00 H new ATOM 595 N LYS A 34 0.288 -15.491 -4.428 1.00 0.00 N ATOM 596 CA LYS A 34 1.153 -14.424 -3.938 1.00 0.00 C ATOM 597 C LYS A 34 0.372 -13.135 -3.706 1.00 0.00 C ATOM 598 O LYS A 34 -0.487 -12.763 -4.506 1.00 0.00 O ATOM 599 CB LYS A 34 2.292 -14.173 -4.927 1.00 0.00 C ATOM 600 CG LYS A 34 3.669 -14.161 -4.278 1.00 0.00 C ATOM 601 CD LYS A 34 4.691 -14.978 -5.065 1.00 0.00 C ATOM 602 CE LYS A 34 4.129 -16.311 -5.543 1.00 0.00 C ATOM 603 NZ LYS A 34 5.197 -17.334 -5.715 1.00 0.00 N ATOM 0 H LYS A 34 0.312 -15.621 -5.439 1.00 0.00 H new ATOM 0 HA LYS A 34 1.568 -14.744 -2.982 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.269 -14.943 -5.698 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.126 -13.218 -5.425 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.018 -13.132 -4.193 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.594 -14.557 -3.265 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.028 -14.400 -5.925 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.565 -15.159 -4.440 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.392 -16.672 -4.826 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.608 -16.167 -6.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.272 -17.592 -6.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.105 -16.946 -5.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.961 -18.179 -5.157 1.00 0.00 H new ATOM 617 N GLY A 35 0.687 -12.454 -2.611 1.00 0.00 N ATOM 618 CA GLY A 35 0.019 -11.207 -2.292 1.00 0.00 C ATOM 619 C GLY A 35 0.943 -10.014 -2.434 1.00 0.00 C ATOM 620 O GLY A 35 2.058 -10.019 -1.909 1.00 0.00 O ATOM 0 H GLY A 35 1.395 -12.744 -1.937 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.842 -11.079 -2.948 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.362 -11.251 -1.272 1.00 0.00 H new ATOM 624 N TRP A 36 0.483 -8.992 -3.148 1.00 0.00 N ATOM 625 CA TRP A 36 1.281 -7.791 -3.361 1.00 0.00 C ATOM 626 C TRP A 36 0.894 -6.700 -2.372 1.00 0.00 C ATOM 627 O TRP A 36 -0.218 -6.170 -2.413 1.00 0.00 O ATOM 628 CB TRP A 36 1.110 -7.292 -4.797 1.00 0.00 C ATOM 629 CG TRP A 36 1.525 -8.306 -5.816 1.00 0.00 C ATOM 630 CD1 TRP A 36 2.782 -8.499 -6.314 1.00 0.00 C ATOM 631 CD2 TRP A 36 0.686 -9.271 -6.455 1.00 0.00 C ATOM 632 NE1 TRP A 36 2.775 -9.530 -7.223 1.00 0.00 N ATOM 633 CE2 TRP A 36 1.499 -10.021 -7.327 1.00 0.00 C ATOM 634 CE3 TRP A 36 -0.677 -9.577 -6.374 1.00 0.00 C ATOM 635 CZ2 TRP A 36 0.995 -11.056 -8.110 1.00 0.00 C ATOM 636 CZ3 TRP A 36 -1.175 -10.605 -7.153 1.00 0.00 C ATOM 637 CH2 TRP A 36 -0.342 -11.335 -8.010 1.00 0.00 C ATOM 0 H TRP A 36 -0.437 -8.972 -3.588 1.00 0.00 H new ATOM 0 HA TRP A 36 2.329 -8.042 -3.197 1.00 0.00 H new ATOM 0 HB2 TRP A 36 0.066 -7.024 -4.962 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.698 -6.384 -4.934 1.00 0.00 H new ATOM 0 HD1 TRP A 36 3.654 -7.926 -6.035 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.587 -9.874 -7.736 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.328 -9.021 -5.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.636 -11.619 -8.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.226 -10.850 -7.100 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.762 -12.133 -8.604 1.00 0.00 H new ATOM 648 N TRP A 37 1.818 -6.378 -1.474 1.00 0.00 N ATOM 649 CA TRP A 37 1.582 -5.359 -0.460 1.00 0.00 C ATOM 650 C TRP A 37 2.263 -4.046 -0.835 1.00 0.00 C ATOM 651 O TRP A 37 3.488 -3.984 -0.932 1.00 0.00 O ATOM 652 CB TRP A 37 2.100 -5.851 0.892 1.00 0.00 C ATOM 653 CG TRP A 37 1.795 -4.930 2.034 1.00 0.00 C ATOM 654 CD1 TRP A 37 0.561 -4.582 2.501 1.00 0.00 C ATOM 655 CD2 TRP A 37 2.744 -4.244 2.859 1.00 0.00 C ATOM 656 NE1 TRP A 37 0.684 -3.725 3.568 1.00 0.00 N ATOM 657 CE2 TRP A 37 2.015 -3.501 3.807 1.00 0.00 C ATOM 658 CE3 TRP A 37 4.141 -4.189 2.891 1.00 0.00 C ATOM 659 CZ2 TRP A 37 2.636 -2.713 4.774 1.00 0.00 C ATOM 660 CZ3 TRP A 37 4.755 -3.405 3.851 1.00 0.00 C ATOM 661 CH2 TRP A 37 4.003 -2.679 4.781 1.00 0.00 C ATOM 0 H TRP A 37 2.741 -6.810 -1.428 1.00 0.00 H new ATOM 0 HA TRP A 37 0.509 -5.177 -0.395 1.00 0.00 H new ATOM 0 HB2 TRP A 37 1.666 -6.829 1.102 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.179 -5.988 0.828 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.376 -4.930 2.092 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.089 -3.321 4.096 1.00 0.00 H new ATOM 0 HE3 TRP A 37 4.730 -4.748 2.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.059 -2.150 5.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 5.833 -3.352 3.883 1.00 0.00 H new ATOM 0 HH2 TRP A 37 4.513 -2.079 5.520 1.00 0.00 H new ATOM 672 N TYR A 38 1.463 -3.000 -1.030 1.00 0.00 N ATOM 673 CA TYR A 38 1.996 -1.684 -1.379 1.00 0.00 C ATOM 674 C TYR A 38 1.726 -0.688 -0.260 1.00 0.00 C ATOM 675 O TYR A 38 0.794 -0.864 0.527 1.00 0.00 O ATOM 676 CB TYR A 38 1.368 -1.159 -2.674 1.00 0.00 C ATOM 677 CG TYR A 38 1.327 -2.160 -3.807 1.00 0.00 C ATOM 678 CD1 TYR A 38 0.572 -3.320 -3.708 1.00 0.00 C ATOM 679 CD2 TYR A 38 2.032 -1.934 -4.982 1.00 0.00 C ATOM 680 CE1 TYR A 38 0.521 -4.229 -4.746 1.00 0.00 C ATOM 681 CE2 TYR A 38 1.984 -2.838 -6.027 1.00 0.00 C ATOM 682 CZ TYR A 38 1.228 -3.983 -5.903 1.00 0.00 C ATOM 683 OH TYR A 38 1.178 -4.886 -6.940 1.00 0.00 O ATOM 0 H TYR A 38 0.447 -3.037 -0.953 1.00 0.00 H new ATOM 0 HA TYR A 38 3.071 -1.793 -1.524 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.351 -0.830 -2.461 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.925 -0.282 -3.002 1.00 0.00 H new ATOM 0 HD1 TYR A 38 0.015 -3.515 -2.804 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.627 -1.038 -5.081 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.070 -5.128 -4.652 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.536 -2.648 -6.935 1.00 0.00 H new ATOM 0 HH TYR A 38 1.731 -4.563 -7.682 1.00 0.00 H new ATOM 693 N ALA A 39 2.536 0.362 -0.193 1.00 0.00 N ATOM 694 CA ALA A 39 2.363 1.379 0.836 1.00 0.00 C ATOM 695 C ALA A 39 3.112 2.660 0.498 1.00 0.00 C ATOM 696 O ALA A 39 4.327 2.658 0.301 1.00 0.00 O ATOM 697 CB ALA A 39 2.820 0.833 2.181 1.00 0.00 C ATOM 0 H ALA A 39 3.312 0.531 -0.833 1.00 0.00 H new ATOM 0 HA ALA A 39 1.303 1.629 0.888 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.689 1.597 2.947 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.227 -0.045 2.438 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.872 0.555 2.122 1.00 0.00 H new ATOM 703 N HIS A 40 2.367 3.758 0.463 1.00 0.00 N ATOM 704 CA HIS A 40 2.930 5.071 0.185 1.00 0.00 C ATOM 705 C HIS A 40 3.332 5.721 1.499 1.00 0.00 C ATOM 706 O HIS A 40 2.561 6.479 2.094 1.00 0.00 O ATOM 707 CB HIS A 40 1.903 5.935 -0.550 1.00 0.00 C ATOM 708 CG HIS A 40 2.400 7.295 -0.935 1.00 0.00 C ATOM 709 ND1 HIS A 40 2.049 7.912 -2.119 1.00 0.00 N ATOM 710 CD2 HIS A 40 3.205 8.169 -0.284 1.00 0.00 C ATOM 711 CE1 HIS A 40 2.614 9.104 -2.177 1.00 0.00 C ATOM 712 NE2 HIS A 40 3.319 9.284 -1.078 1.00 0.00 N ATOM 0 H HIS A 40 1.360 3.763 0.626 1.00 0.00 H new ATOM 0 HA HIS A 40 3.809 4.971 -0.452 1.00 0.00 H new ATOM 0 HB2 HIS A 40 1.583 5.410 -1.450 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.023 6.049 0.083 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.670 8.017 0.679 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.515 9.811 -2.987 1.00 0.00 H new ATOM 0 HE2 HIS A 40 3.862 10.118 -0.853 1.00 0.00 H new ATOM 721 N PHE A 41 4.534 5.389 1.961 1.00 0.00 N ATOM 722 CA PHE A 41 5.044 5.906 3.223 1.00 0.00 C ATOM 723 C PHE A 41 5.408 7.386 3.125 1.00 0.00 C ATOM 724 O PHE A 41 5.813 7.873 2.070 1.00 0.00 O ATOM 725 CB PHE A 41 6.271 5.107 3.673 1.00 0.00 C ATOM 726 CG PHE A 41 5.947 3.869 4.460 1.00 0.00 C ATOM 727 CD1 PHE A 41 5.356 2.775 3.849 1.00 0.00 C ATOM 728 CD2 PHE A 41 6.238 3.802 5.813 1.00 0.00 C ATOM 729 CE1 PHE A 41 5.061 1.635 4.575 1.00 0.00 C ATOM 730 CE2 PHE A 41 5.945 2.666 6.544 1.00 0.00 C ATOM 731 CZ PHE A 41 5.355 1.582 5.924 1.00 0.00 C ATOM 0 H PHE A 41 5.175 4.761 1.476 1.00 0.00 H new ATOM 0 HA PHE A 41 4.248 5.799 3.959 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.848 4.823 2.793 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.908 5.752 4.278 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.123 2.813 2.795 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.699 4.647 6.302 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.602 0.788 4.088 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.177 2.626 7.598 1.00 0.00 H new ATOM 0 HZ PHE A 41 5.124 0.694 6.493 1.00 0.00 H new ATOM 741 N ASP A 42 5.276 8.081 4.248 1.00 0.00 N ATOM 742 CA ASP A 42 5.600 9.497 4.338 1.00 0.00 C ATOM 743 C ASP A 42 6.443 9.732 5.585 1.00 0.00 C ATOM 744 O ASP A 42 6.005 9.444 6.699 1.00 0.00 O ATOM 745 CB ASP A 42 4.324 10.341 4.391 1.00 0.00 C ATOM 746 CG ASP A 42 4.429 11.602 3.556 1.00 0.00 C ATOM 747 OD1 ASP A 42 4.518 11.489 2.317 1.00 0.00 O ATOM 748 OD2 ASP A 42 4.420 12.705 4.143 1.00 0.00 O ATOM 0 H ASP A 42 4.941 7.677 5.123 1.00 0.00 H new ATOM 0 HA ASP A 42 6.162 9.796 3.453 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.482 9.745 4.039 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.113 10.610 5.426 1.00 0.00 H new ATOM 753 N GLY A 43 7.661 10.225 5.399 1.00 0.00 N ATOM 754 CA GLY A 43 8.535 10.442 6.534 1.00 0.00 C ATOM 755 C GLY A 43 8.853 9.133 7.231 1.00 0.00 C ATOM 756 O GLY A 43 9.051 8.114 6.570 1.00 0.00 O ATOM 0 H GLY A 43 8.056 10.476 4.493 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.459 10.915 6.201 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.061 11.127 7.237 1.00 0.00 H new ATOM 760 N PRO A 44 8.904 9.118 8.570 1.00 0.00 N ATOM 761 CA PRO A 44 9.193 7.906 9.336 1.00 0.00 C ATOM 762 C PRO A 44 7.996 6.954 9.396 1.00 0.00 C ATOM 763 O PRO A 44 8.070 5.890 10.009 1.00 0.00 O ATOM 764 CB PRO A 44 9.522 8.431 10.746 1.00 0.00 C ATOM 765 CG PRO A 44 9.527 9.924 10.641 1.00 0.00 C ATOM 766 CD PRO A 44 8.684 10.267 9.450 1.00 0.00 C ATOM 0 HA PRO A 44 9.999 7.330 8.882 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.781 8.094 11.470 1.00 0.00 H new ATOM 0 HB3 PRO A 44 10.490 8.061 11.084 1.00 0.00 H new ATOM 0 HG2 PRO A 44 9.124 10.378 11.546 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.542 10.301 10.520 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.633 10.381 9.715 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.998 11.201 8.985 1.00 0.00 H new ATOM 774 N TRP A 45 6.884 7.355 8.785 1.00 0.00 N ATOM 775 CA TRP A 45 5.667 6.554 8.801 1.00 0.00 C ATOM 776 C TRP A 45 5.018 6.490 7.419 1.00 0.00 C ATOM 777 O TRP A 45 5.684 6.697 6.405 1.00 0.00 O ATOM 778 CB TRP A 45 4.711 7.159 9.825 1.00 0.00 C ATOM 779 CG TRP A 45 5.449 7.808 10.955 1.00 0.00 C ATOM 780 CD1 TRP A 45 5.925 9.085 11.003 1.00 0.00 C ATOM 781 CD2 TRP A 45 5.835 7.190 12.179 1.00 0.00 C ATOM 782 NE1 TRP A 45 6.573 9.301 12.194 1.00 0.00 N ATOM 783 CE2 TRP A 45 6.525 8.151 12.938 1.00 0.00 C ATOM 784 CE3 TRP A 45 5.652 5.917 12.704 1.00 0.00 C ATOM 785 CZ2 TRP A 45 7.034 7.871 14.203 1.00 0.00 C ATOM 786 CZ3 TRP A 45 6.158 5.634 13.959 1.00 0.00 C ATOM 787 CH2 TRP A 45 6.840 6.608 14.698 1.00 0.00 C ATOM 0 H TRP A 45 6.803 8.233 8.272 1.00 0.00 H new ATOM 0 HA TRP A 45 5.912 5.529 9.078 1.00 0.00 H new ATOM 0 HB2 TRP A 45 4.073 7.895 9.337 1.00 0.00 H new ATOM 0 HB3 TRP A 45 4.057 6.380 10.217 1.00 0.00 H new ATOM 0 HD1 TRP A 45 5.809 9.819 10.219 1.00 0.00 H new ATOM 0 HE1 TRP A 45 7.017 10.174 12.478 1.00 0.00 H new ATOM 0 HE3 TRP A 45 5.124 5.161 12.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.562 8.621 14.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 6.025 4.647 14.376 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.221 6.359 15.678 1.00 0.00 H new ATOM 798 N ILE A 46 3.720 6.186 7.379 1.00 0.00 N ATOM 799 CA ILE A 46 3.002 6.081 6.113 1.00 0.00 C ATOM 800 C ILE A 46 1.609 6.698 6.197 1.00 0.00 C ATOM 801 O ILE A 46 1.022 6.798 7.273 1.00 0.00 O ATOM 802 CB ILE A 46 2.896 4.609 5.657 1.00 0.00 C ATOM 803 CG1 ILE A 46 1.886 4.448 4.519 1.00 0.00 C ATOM 804 CG2 ILE A 46 2.533 3.710 6.825 1.00 0.00 C ATOM 805 CD1 ILE A 46 1.917 3.078 3.884 1.00 0.00 C ATOM 0 H ILE A 46 3.149 6.009 8.205 1.00 0.00 H new ATOM 0 HA ILE A 46 3.577 6.641 5.376 1.00 0.00 H new ATOM 0 HB ILE A 46 3.873 4.308 5.279 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.884 4.641 4.902 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.086 5.200 3.755 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.463 2.678 6.482 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.301 3.786 7.595 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.573 4.020 7.238 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.177 3.031 3.085 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.909 2.890 3.472 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.688 2.323 4.636 1.00 0.00 H new ATOM 817 N ALA A 47 1.093 7.114 5.041 1.00 0.00 N ATOM 818 CA ALA A 47 -0.225 7.730 4.966 1.00 0.00 C ATOM 819 C ALA A 47 -1.149 6.997 3.991 1.00 0.00 C ATOM 820 O ALA A 47 -2.371 7.076 4.120 1.00 0.00 O ATOM 821 CB ALA A 47 -0.096 9.193 4.569 1.00 0.00 C ATOM 0 H ALA A 47 1.571 7.034 4.144 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.676 7.660 5.956 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.087 9.644 4.516 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.503 9.720 5.311 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.388 9.264 3.595 1.00 0.00 H new ATOM 827 N ARG A 48 -0.577 6.286 3.017 1.00 0.00 N ATOM 828 CA ARG A 48 -1.389 5.560 2.044 1.00 0.00 C ATOM 829 C ARG A 48 -0.971 4.097 1.985 1.00 0.00 C ATOM 830 O ARG A 48 0.215 3.788 1.924 1.00 0.00 O ATOM 831 CB ARG A 48 -1.255 6.200 0.660 1.00 0.00 C ATOM 832 CG ARG A 48 -2.564 6.724 0.089 1.00 0.00 C ATOM 833 CD ARG A 48 -2.328 7.529 -1.181 1.00 0.00 C ATOM 834 NE ARG A 48 -3.578 7.915 -1.830 1.00 0.00 N ATOM 835 CZ ARG A 48 -3.670 8.273 -3.111 1.00 0.00 C ATOM 836 NH1 ARG A 48 -2.592 8.289 -3.885 1.00 0.00 N ATOM 837 NH2 ARG A 48 -4.843 8.617 -3.621 1.00 0.00 N ATOM 0 H ARG A 48 0.430 6.199 2.883 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.431 5.612 2.358 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -0.542 7.022 0.719 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -0.838 5.466 -0.029 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.230 5.889 -0.126 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.063 7.348 0.830 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -1.754 8.424 -0.940 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.727 6.942 -1.875 1.00 0.00 H new ATOM 0 HE ARG A 48 -4.431 7.910 -1.270 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -1.684 8.026 -3.501 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -2.671 8.564 -4.864 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -5.677 8.608 -3.034 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -4.912 8.891 -4.601 1.00 0.00 H new ATOM 851 N GLN A 49 -1.948 3.196 2.006 1.00 0.00 N ATOM 852 CA GLN A 49 -1.654 1.770 1.955 1.00 0.00 C ATOM 853 C GLN A 49 -2.704 1.014 1.152 1.00 0.00 C ATOM 854 O GLN A 49 -3.902 1.263 1.285 1.00 0.00 O ATOM 855 CB GLN A 49 -1.567 1.194 3.369 1.00 0.00 C ATOM 856 CG GLN A 49 -0.822 -0.128 3.441 1.00 0.00 C ATOM 857 CD GLN A 49 -1.744 -1.306 3.677 1.00 0.00 C ATOM 858 OE1 GLN A 49 -2.533 -1.678 2.808 1.00 0.00 O ATOM 859 NE2 GLN A 49 -1.653 -1.901 4.861 1.00 0.00 N ATOM 0 H GLN A 49 -2.941 3.426 2.057 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.692 1.648 1.457 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.071 1.917 4.017 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.575 1.055 3.759 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.273 -0.282 2.512 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.085 -0.082 4.243 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.985 -1.561 5.553 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.251 -2.698 5.078 1.00 0.00 H new ATOM 868 N MET A 50 -2.244 0.084 0.322 1.00 0.00 N ATOM 869 CA MET A 50 -3.138 -0.718 -0.502 1.00 0.00 C ATOM 870 C MET A 50 -2.754 -2.192 -0.429 1.00 0.00 C ATOM 871 O MET A 50 -1.667 -2.583 -0.855 1.00 0.00 O ATOM 872 CB MET A 50 -3.119 -0.243 -1.961 1.00 0.00 C ATOM 873 CG MET A 50 -1.896 0.583 -2.332 1.00 0.00 C ATOM 874 SD MET A 50 -1.396 0.355 -4.050 1.00 0.00 S ATOM 875 CE MET A 50 -2.987 0.335 -4.873 1.00 0.00 C ATOM 0 H MET A 50 -1.254 -0.133 0.203 1.00 0.00 H new ATOM 0 HA MET A 50 -4.149 -0.595 -0.114 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.168 -1.113 -2.615 1.00 0.00 H new ATOM 0 HB3 MET A 50 -4.014 0.349 -2.150 1.00 0.00 H new ATOM 0 HG2 MET A 50 -2.108 1.638 -2.157 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.067 0.312 -1.678 1.00 0.00 H new ATOM 0 HE1 MET A 50 -2.893 0.793 -5.858 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.327 -0.695 -4.983 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.710 0.895 -4.280 1.00 0.00 H new ATOM 885 N GLU A 51 -3.652 -3.001 0.121 1.00 0.00 N ATOM 886 CA GLU A 51 -3.407 -4.431 0.257 1.00 0.00 C ATOM 887 C GLU A 51 -4.017 -5.206 -0.907 1.00 0.00 C ATOM 888 O GLU A 51 -5.235 -5.232 -1.077 1.00 0.00 O ATOM 889 CB GLU A 51 -3.972 -4.942 1.585 1.00 0.00 C ATOM 890 CG GLU A 51 -2.916 -5.511 2.518 1.00 0.00 C ATOM 891 CD GLU A 51 -2.155 -6.672 1.905 1.00 0.00 C ATOM 892 OE1 GLU A 51 -2.277 -6.882 0.680 1.00 0.00 O ATOM 893 OE2 GLU A 51 -1.436 -7.370 2.650 1.00 0.00 O ATOM 0 H GLU A 51 -4.555 -2.691 0.480 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.329 -4.592 0.244 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.488 -4.125 2.089 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.717 -5.711 1.381 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.213 -4.723 2.787 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.393 -5.842 3.441 1.00 0.00 H new ATOM 900 N LEU A 52 -3.161 -5.842 -1.702 1.00 0.00 N ATOM 901 CA LEU A 52 -3.615 -6.625 -2.847 1.00 0.00 C ATOM 902 C LEU A 52 -3.288 -8.103 -2.652 1.00 0.00 C ATOM 903 O LEU A 52 -2.147 -8.524 -2.835 1.00 0.00 O ATOM 904 CB LEU A 52 -2.960 -6.113 -4.134 1.00 0.00 C ATOM 905 CG LEU A 52 -3.445 -4.743 -4.613 1.00 0.00 C ATOM 906 CD1 LEU A 52 -2.365 -4.048 -5.429 1.00 0.00 C ATOM 907 CD2 LEU A 52 -4.720 -4.884 -5.430 1.00 0.00 C ATOM 0 H LEU A 52 -2.149 -5.830 -1.574 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.696 -6.514 -2.929 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.882 -6.065 -3.980 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.137 -6.840 -4.926 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.662 -4.131 -3.737 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.729 -3.075 -5.761 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.475 -3.912 -4.814 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.116 -4.658 -6.298 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.050 -3.900 -5.762 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.528 -5.514 -6.298 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.497 -5.339 -4.816 1.00 0.00 H new ATOM 919 N HIS A 53 -4.296 -8.886 -2.275 1.00 0.00 N ATOM 920 CA HIS A 53 -4.108 -10.316 -2.052 1.00 0.00 C ATOM 921 C HIS A 53 -5.066 -11.137 -2.916 1.00 0.00 C ATOM 922 O HIS A 53 -6.258 -10.841 -2.981 1.00 0.00 O ATOM 923 CB HIS A 53 -4.324 -10.653 -0.575 1.00 0.00 C ATOM 924 CG HIS A 53 -3.051 -10.878 0.182 1.00 0.00 C ATOM 925 ND1 HIS A 53 -2.357 -12.068 0.147 1.00 0.00 N ATOM 926 CD2 HIS A 53 -2.349 -10.059 1.000 1.00 0.00 C ATOM 927 CE1 HIS A 53 -1.284 -11.972 0.912 1.00 0.00 C ATOM 928 NE2 HIS A 53 -1.255 -10.761 1.440 1.00 0.00 N ATOM 0 H HIS A 53 -5.248 -8.555 -2.118 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.086 -10.570 -2.334 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -4.879 -9.842 -0.103 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.943 -11.547 -0.502 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.603 -9.042 1.258 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -0.555 -12.751 1.078 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -0.537 -10.406 2.071 1.00 0.00 H new ATOM 937 N PRO A 54 -4.560 -12.187 -3.588 1.00 0.00 N ATOM 938 CA PRO A 54 -5.390 -13.045 -4.440 1.00 0.00 C ATOM 939 C PRO A 54 -6.616 -13.572 -3.703 1.00 0.00 C ATOM 940 O PRO A 54 -7.644 -13.863 -4.313 1.00 0.00 O ATOM 941 CB PRO A 54 -4.453 -14.197 -4.809 1.00 0.00 C ATOM 942 CG PRO A 54 -3.082 -13.629 -4.683 1.00 0.00 C ATOM 943 CD PRO A 54 -3.152 -12.624 -3.567 1.00 0.00 C ATOM 0 HA PRO A 54 -5.782 -12.507 -5.303 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.591 -15.048 -4.142 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.642 -14.552 -5.822 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.355 -14.410 -4.460 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.768 -13.157 -5.614 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.884 -13.069 -2.609 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.470 -11.790 -3.734 1.00 0.00 H new ATOM 951 N ASP A 55 -6.497 -13.691 -2.384 1.00 0.00 N ATOM 952 CA ASP A 55 -7.593 -14.182 -1.558 1.00 0.00 C ATOM 953 C ASP A 55 -8.409 -13.024 -0.990 1.00 0.00 C ATOM 954 O ASP A 55 -9.596 -13.172 -0.701 1.00 0.00 O ATOM 955 CB ASP A 55 -7.054 -15.047 -0.417 1.00 0.00 C ATOM 956 CG ASP A 55 -6.591 -16.409 -0.892 1.00 0.00 C ATOM 957 OD1 ASP A 55 -7.043 -16.847 -1.971 1.00 0.00 O ATOM 958 OD2 ASP A 55 -5.777 -17.039 -0.185 1.00 0.00 O ATOM 0 H ASP A 55 -5.652 -13.454 -1.865 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.244 -14.788 -2.188 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.223 -14.532 0.064 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.831 -15.173 0.337 1.00 0.00 H new ATOM 963 N LYS A 56 -7.765 -11.870 -0.830 1.00 0.00 N ATOM 964 CA LYS A 56 -8.431 -10.691 -0.295 1.00 0.00 C ATOM 965 C LYS A 56 -8.370 -9.529 -1.288 1.00 0.00 C ATOM 966 O LYS A 56 -7.285 -9.065 -1.642 1.00 0.00 O ATOM 967 CB LYS A 56 -7.793 -10.275 1.031 1.00 0.00 C ATOM 968 CG LYS A 56 -7.709 -11.405 2.046 1.00 0.00 C ATOM 969 CD LYS A 56 -6.322 -12.026 2.075 1.00 0.00 C ATOM 970 CE LYS A 56 -6.020 -12.655 3.425 1.00 0.00 C ATOM 971 NZ LYS A 56 -4.563 -12.899 3.612 1.00 0.00 N ATOM 0 H LYS A 56 -6.782 -11.729 -1.064 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.477 -10.945 -0.124 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.790 -9.895 0.839 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -8.368 -9.454 1.460 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.959 -11.025 3.036 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.446 -12.170 1.802 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.245 -12.783 1.295 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.576 -11.263 1.853 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.383 -12.002 4.219 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.560 -13.597 3.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.420 -13.837 4.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.083 -12.860 2.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.167 -12.170 4.239 1.00 0.00 H new ATOM 985 N PRO A 57 -9.537 -9.037 -1.748 1.00 0.00 N ATOM 986 CA PRO A 57 -9.603 -7.922 -2.697 1.00 0.00 C ATOM 987 C PRO A 57 -8.678 -6.772 -2.303 1.00 0.00 C ATOM 988 O PRO A 57 -8.124 -6.767 -1.205 1.00 0.00 O ATOM 989 CB PRO A 57 -11.067 -7.488 -2.620 1.00 0.00 C ATOM 990 CG PRO A 57 -11.806 -8.727 -2.253 1.00 0.00 C ATOM 991 CD PRO A 57 -10.881 -9.524 -1.374 1.00 0.00 C ATOM 0 HA PRO A 57 -9.282 -8.211 -3.698 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -11.210 -6.705 -1.875 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -11.413 -7.088 -3.573 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -12.731 -8.487 -1.728 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.082 -9.293 -3.142 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -11.088 -9.355 -0.317 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -10.983 -10.595 -1.552 1.00 0.00 H new ATOM 999 N PRO A 58 -8.496 -5.782 -3.195 1.00 0.00 N ATOM 1000 CA PRO A 58 -7.629 -4.630 -2.926 1.00 0.00 C ATOM 1001 C PRO A 58 -8.059 -3.860 -1.681 1.00 0.00 C ATOM 1002 O PRO A 58 -8.748 -2.843 -1.774 1.00 0.00 O ATOM 1003 CB PRO A 58 -7.781 -3.754 -4.177 1.00 0.00 C ATOM 1004 CG PRO A 58 -9.016 -4.244 -4.855 1.00 0.00 C ATOM 1005 CD PRO A 58 -9.112 -5.705 -4.527 1.00 0.00 C ATOM 0 HA PRO A 58 -6.601 -4.937 -2.733 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.870 -2.701 -3.911 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.912 -3.845 -4.829 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.895 -3.706 -4.502 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -8.958 -4.088 -5.932 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.146 -6.049 -4.515 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.580 -6.318 -5.254 1.00 0.00 H new ATOM 1013 N ILE A 59 -7.646 -4.349 -0.514 1.00 0.00 N ATOM 1014 CA ILE A 59 -7.987 -3.704 0.748 1.00 0.00 C ATOM 1015 C ILE A 59 -7.430 -2.285 0.797 1.00 0.00 C ATOM 1016 O ILE A 59 -6.229 -2.083 0.974 1.00 0.00 O ATOM 1017 CB ILE A 59 -7.452 -4.505 1.954 1.00 0.00 C ATOM 1018 CG1 ILE A 59 -8.022 -5.923 1.943 1.00 0.00 C ATOM 1019 CG2 ILE A 59 -7.791 -3.803 3.260 1.00 0.00 C ATOM 1020 CD1 ILE A 59 -7.337 -6.856 2.918 1.00 0.00 C ATOM 0 H ILE A 59 -7.075 -5.189 -0.418 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.075 -3.668 0.808 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.367 -4.566 1.873 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -9.085 -5.881 2.179 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.935 -6.333 0.937 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.405 -4.385 4.097 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.339 -2.811 3.268 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.873 -3.709 3.352 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.792 -7.844 2.857 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.278 -6.928 2.670 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.447 -6.468 3.931 1.00 0.00 H new ATOM 1032 N LEU A 60 -8.313 -1.308 0.638 1.00 0.00 N ATOM 1033 CA LEU A 60 -7.916 0.095 0.660 1.00 0.00 C ATOM 1034 C LEU A 60 -7.775 0.600 2.091 1.00 0.00 C ATOM 1035 O LEU A 60 -8.722 0.554 2.873 1.00 0.00 O ATOM 1036 CB LEU A 60 -8.943 0.937 -0.103 1.00 0.00 C ATOM 1037 CG LEU A 60 -8.640 1.162 -1.592 1.00 0.00 C ATOM 1038 CD1 LEU A 60 -8.077 -0.098 -2.241 1.00 0.00 C ATOM 1039 CD2 LEU A 60 -9.895 1.613 -2.320 1.00 0.00 C ATOM 0 H LEU A 60 -9.311 -1.461 0.492 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.945 0.188 0.174 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.917 0.455 -0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.024 1.909 0.384 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.884 1.943 -1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.873 0.095 -3.294 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.153 -0.384 -1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.802 -0.907 -2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.668 1.769 -3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.666 0.848 -2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.253 2.546 -1.884 1.00 0.00 H new ATOM 1051 N LEU A 61 -6.579 1.078 2.426 1.00 0.00 N ATOM 1052 CA LEU A 61 -6.309 1.588 3.764 1.00 0.00 C ATOM 1053 C LEU A 61 -5.670 2.970 3.705 1.00 0.00 C ATOM 1054 O LEU A 61 -5.019 3.326 2.722 1.00 0.00 O ATOM 1055 CB LEU A 61 -5.398 0.625 4.525 1.00 0.00 C ATOM 1056 CG LEU A 61 -5.938 -0.796 4.673 1.00 0.00 C ATOM 1057 CD1 LEU A 61 -4.884 -1.702 5.287 1.00 0.00 C ATOM 1058 CD2 LEU A 61 -7.204 -0.800 5.518 1.00 0.00 C ATOM 0 H LEU A 61 -5.784 1.122 1.789 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.260 1.672 4.290 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.436 0.580 4.015 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.214 1.033 5.519 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.186 -1.177 3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.284 -2.711 5.386 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.003 -1.722 4.645 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.607 -1.323 6.271 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.575 -1.821 5.613 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.982 -0.401 6.508 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.963 -0.181 5.039 1.00 0.00 H new ATOM 1070 N VAL A 62 -5.859 3.743 4.769 1.00 0.00 N ATOM 1071 CA VAL A 62 -5.305 5.088 4.847 1.00 0.00 C ATOM 1072 C VAL A 62 -5.081 5.504 6.296 1.00 0.00 C ATOM 1073 O VAL A 62 -5.874 5.168 7.178 1.00 0.00 O ATOM 1074 CB VAL A 62 -6.229 6.114 4.160 1.00 0.00 C ATOM 1075 CG1 VAL A 62 -7.587 6.153 4.840 1.00 0.00 C ATOM 1076 CG2 VAL A 62 -5.586 7.495 4.148 1.00 0.00 C ATOM 0 H VAL A 62 -6.393 3.460 5.591 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.347 5.071 4.327 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.378 5.802 3.126 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.223 6.883 4.340 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.051 5.168 4.783 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.463 6.436 5.885 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.255 8.203 3.659 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.400 7.819 5.172 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.642 7.452 3.604 1.00 0.00 H new ATOM 1086 N ALA A 63 -3.999 6.237 6.537 1.00 0.00 N ATOM 1087 CA ALA A 63 -3.672 6.699 7.882 1.00 0.00 C ATOM 1088 C ALA A 63 -4.838 7.463 8.500 1.00 0.00 C ATOM 1089 O ALA A 63 -5.598 8.131 7.799 1.00 0.00 O ATOM 1090 CB ALA A 63 -2.424 7.568 7.850 1.00 0.00 C ATOM 0 H ALA A 63 -3.334 6.524 5.819 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.477 5.825 8.504 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.190 7.907 8.859 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.587 6.989 7.459 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.599 8.432 7.209 1.00 0.00 H new ATOM 1096 N GLY A 64 -4.975 7.359 9.817 1.00 0.00 N ATOM 1097 CA GLY A 64 -6.050 8.044 10.509 1.00 0.00 C ATOM 1098 C GLY A 64 -7.275 7.169 10.692 1.00 0.00 C ATOM 1099 O GLY A 64 -7.804 7.053 11.797 1.00 0.00 O ATOM 0 H GLY A 64 -4.359 6.811 10.418 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.696 8.376 11.485 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.326 8.938 9.949 1.00 0.00 H new ATOM 1103 N LYS A 65 -7.729 6.554 9.605 1.00 0.00 N ATOM 1104 CA LYS A 65 -8.902 5.686 9.650 1.00 0.00 C ATOM 1105 C LYS A 65 -8.504 4.250 9.980 1.00 0.00 C ATOM 1106 O LYS A 65 -8.702 3.782 11.102 1.00 0.00 O ATOM 1107 CB LYS A 65 -9.647 5.732 8.314 1.00 0.00 C ATOM 1108 CG LYS A 65 -11.024 6.372 8.407 1.00 0.00 C ATOM 1109 CD LYS A 65 -12.073 5.551 7.675 1.00 0.00 C ATOM 1110 CE LYS A 65 -12.725 4.530 8.594 1.00 0.00 C ATOM 1111 NZ LYS A 65 -12.978 3.238 7.901 1.00 0.00 N ATOM 0 H LYS A 65 -7.303 6.640 8.682 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.563 6.048 10.437 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.047 6.285 7.591 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.752 4.717 7.931 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.308 6.476 9.454 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -10.988 7.377 7.986 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.836 6.214 7.267 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.611 5.039 6.831 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -12.083 4.358 9.458 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.667 4.930 8.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -13.423 2.570 8.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -13.611 3.397 7.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -12.077 2.843 7.564 1.00 0.00 H new ATOM 1125 N ASP A 66 -7.945 3.556 8.994 1.00 0.00 N ATOM 1126 CA ASP A 66 -7.522 2.174 9.177 1.00 0.00 C ATOM 1127 C ASP A 66 -6.110 2.108 9.755 1.00 0.00 C ATOM 1128 O ASP A 66 -5.218 1.490 9.175 1.00 0.00 O ATOM 1129 CB ASP A 66 -7.580 1.423 7.844 1.00 0.00 C ATOM 1130 CG ASP A 66 -8.888 0.676 7.658 1.00 0.00 C ATOM 1131 OD1 ASP A 66 -9.927 1.339 7.466 1.00 0.00 O ATOM 1132 OD2 ASP A 66 -8.869 -0.572 7.706 1.00 0.00 O ATOM 0 H ASP A 66 -7.775 3.929 8.060 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.204 1.700 9.883 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.449 2.131 7.025 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.751 0.717 7.791 1.00 0.00 H new ATOM 1137 N ASP A 67 -5.916 2.754 10.901 1.00 0.00 N ATOM 1138 CA ASP A 67 -4.612 2.774 11.557 1.00 0.00 C ATOM 1139 C ASP A 67 -4.239 1.392 12.086 1.00 0.00 C ATOM 1140 O ASP A 67 -3.058 1.056 12.187 1.00 0.00 O ATOM 1141 CB ASP A 67 -4.615 3.784 12.706 1.00 0.00 C ATOM 1142 CG ASP A 67 -4.494 5.215 12.219 1.00 0.00 C ATOM 1143 OD1 ASP A 67 -3.476 5.539 11.574 1.00 0.00 O ATOM 1144 OD2 ASP A 67 -5.420 6.012 12.483 1.00 0.00 O ATOM 0 H ASP A 67 -6.644 3.270 11.394 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.869 3.070 10.817 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.536 3.675 13.279 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.790 3.563 13.383 1.00 0.00 H new ATOM 1149 N MET A 68 -5.246 0.597 12.426 1.00 0.00 N ATOM 1150 CA MET A 68 -5.017 -0.745 12.947 1.00 0.00 C ATOM 1151 C MET A 68 -4.794 -1.746 11.817 1.00 0.00 C ATOM 1152 O MET A 68 -4.229 -2.818 12.031 1.00 0.00 O ATOM 1153 CB MET A 68 -6.202 -1.189 13.807 1.00 0.00 C ATOM 1154 CG MET A 68 -6.102 -0.743 15.258 1.00 0.00 C ATOM 1155 SD MET A 68 -7.130 0.694 15.615 1.00 0.00 S ATOM 1156 CE MET A 68 -5.903 1.999 15.604 1.00 0.00 C ATOM 0 H MET A 68 -6.229 0.858 12.350 1.00 0.00 H new ATOM 0 HA MET A 68 -4.117 -0.716 13.561 1.00 0.00 H new ATOM 0 HB2 MET A 68 -7.122 -0.793 13.376 1.00 0.00 H new ATOM 0 HB3 MET A 68 -6.277 -2.276 13.774 1.00 0.00 H new ATOM 0 HG2 MET A 68 -6.397 -1.567 15.908 1.00 0.00 H new ATOM 0 HG3 MET A 68 -5.063 -0.509 15.491 1.00 0.00 H new ATOM 0 HE1 MET A 68 -6.377 2.942 15.331 1.00 0.00 H new ATOM 0 HE2 MET A 68 -5.460 2.090 16.596 1.00 0.00 H new ATOM 0 HE3 MET A 68 -5.125 1.761 14.879 1.00 0.00 H new ATOM 1166 N GLU A 69 -5.246 -1.394 10.617 1.00 0.00 N ATOM 1167 CA GLU A 69 -5.095 -2.269 9.463 1.00 0.00 C ATOM 1168 C GLU A 69 -3.843 -1.919 8.662 1.00 0.00 C ATOM 1169 O GLU A 69 -3.039 -2.794 8.342 1.00 0.00 O ATOM 1170 CB GLU A 69 -6.331 -2.179 8.567 1.00 0.00 C ATOM 1171 CG GLU A 69 -7.525 -2.954 9.096 1.00 0.00 C ATOM 1172 CD GLU A 69 -7.264 -4.446 9.171 1.00 0.00 C ATOM 1173 OE1 GLU A 69 -6.374 -4.931 8.443 1.00 0.00 O ATOM 1174 OE2 GLU A 69 -7.951 -5.130 9.960 1.00 0.00 O ATOM 0 H GLU A 69 -5.718 -0.511 10.420 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.989 -3.290 9.828 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.610 -1.132 8.452 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.078 -2.552 7.575 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.783 -2.584 10.088 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.386 -2.771 8.453 1.00 0.00 H new ATOM 1181 N MET A 70 -3.685 -0.639 8.339 1.00 0.00 N ATOM 1182 CA MET A 70 -2.530 -0.183 7.574 1.00 0.00 C ATOM 1183 C MET A 70 -1.223 -0.527 8.290 1.00 0.00 C ATOM 1184 O MET A 70 -1.202 -1.365 9.190 1.00 0.00 O ATOM 1185 CB MET A 70 -2.624 1.323 7.311 1.00 0.00 C ATOM 1186 CG MET A 70 -2.317 2.196 8.521 1.00 0.00 C ATOM 1187 SD MET A 70 -1.498 3.739 8.071 1.00 0.00 S ATOM 1188 CE MET A 70 -2.191 4.037 6.446 1.00 0.00 C ATOM 0 H MET A 70 -4.341 0.099 8.595 1.00 0.00 H new ATOM 0 HA MET A 70 -2.531 -0.703 6.616 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.935 1.582 6.507 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.628 1.555 6.957 1.00 0.00 H new ATOM 0 HG2 MET A 70 -3.245 2.421 9.047 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.684 1.641 9.214 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.123 5.099 6.210 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.636 3.464 5.703 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.237 3.729 6.434 1.00 0.00 H new ATOM 1198 N CYS A 71 -0.139 0.126 7.882 1.00 0.00 N ATOM 1199 CA CYS A 71 1.168 -0.117 8.490 1.00 0.00 C ATOM 1200 C CYS A 71 1.237 0.506 9.881 1.00 0.00 C ATOM 1201 O CYS A 71 1.188 1.728 10.026 1.00 0.00 O ATOM 1202 CB CYS A 71 2.295 0.446 7.615 1.00 0.00 C ATOM 1203 SG CYS A 71 1.965 0.418 5.836 1.00 0.00 S ATOM 0 H CYS A 71 -0.137 0.824 7.138 1.00 0.00 H new ATOM 0 HA CYS A 71 1.299 -1.196 8.576 1.00 0.00 H new ATOM 0 HB2 CYS A 71 2.490 1.475 7.917 1.00 0.00 H new ATOM 0 HB3 CYS A 71 3.205 -0.122 7.810 1.00 0.00 H new ATOM 0 HG CYS A 71 2.519 -0.633 5.308 1.00 0.00 H new ATOM 1209 N GLU A 72 1.352 -0.337 10.901 1.00 0.00 N ATOM 1210 CA GLU A 72 1.427 0.136 12.278 1.00 0.00 C ATOM 1211 C GLU A 72 2.862 0.074 12.794 1.00 0.00 C ATOM 1212 O GLU A 72 3.102 -0.250 13.958 1.00 0.00 O ATOM 1213 CB GLU A 72 0.508 -0.695 13.177 1.00 0.00 C ATOM 1214 CG GLU A 72 -0.856 -0.060 13.400 1.00 0.00 C ATOM 1215 CD GLU A 72 -1.095 0.318 14.849 1.00 0.00 C ATOM 1216 OE1 GLU A 72 -0.527 -0.349 15.739 1.00 0.00 O ATOM 1217 OE2 GLU A 72 -1.851 1.283 15.094 1.00 0.00 O ATOM 0 H GLU A 72 1.395 -1.351 10.800 1.00 0.00 H new ATOM 0 HA GLU A 72 1.097 1.175 12.300 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.373 -1.681 12.733 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.993 -0.843 14.142 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.944 0.830 12.777 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.632 -0.753 13.077 1.00 0.00 H new ATOM 1224 N LYS A 73 3.812 0.389 11.919 1.00 0.00 N ATOM 1225 CA LYS A 73 5.225 0.370 12.287 1.00 0.00 C ATOM 1226 C LYS A 73 5.997 1.448 11.531 1.00 0.00 C ATOM 1227 O LYS A 73 5.424 2.200 10.743 1.00 0.00 O ATOM 1228 CB LYS A 73 5.841 -1.008 12.011 1.00 0.00 C ATOM 1229 CG LYS A 73 4.991 -1.903 11.121 1.00 0.00 C ATOM 1230 CD LYS A 73 3.950 -2.664 11.926 1.00 0.00 C ATOM 1231 CE LYS A 73 4.320 -4.132 12.077 1.00 0.00 C ATOM 1232 NZ LYS A 73 4.219 -4.587 13.491 1.00 0.00 N ATOM 0 H LYS A 73 3.631 0.660 10.953 1.00 0.00 H new ATOM 0 HA LYS A 73 5.295 0.576 13.355 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.816 -0.871 11.544 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.011 -1.515 12.961 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.494 -1.297 10.363 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.633 -2.609 10.595 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.849 -2.211 12.912 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.980 -2.582 11.437 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.663 -4.738 11.453 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.337 -4.289 11.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.479 -5.592 13.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.864 -4.026 14.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.243 -4.461 13.827 1.00 0.00 H new ATOM 1246 N ASN A 74 7.302 1.511 11.777 1.00 0.00 N ATOM 1247 CA ASN A 74 8.159 2.491 11.123 1.00 0.00 C ATOM 1248 C ASN A 74 8.812 1.892 9.880 1.00 0.00 C ATOM 1249 O ASN A 74 8.823 0.675 9.697 1.00 0.00 O ATOM 1250 CB ASN A 74 9.231 2.990 12.097 1.00 0.00 C ATOM 1251 CG ASN A 74 9.959 4.217 11.584 1.00 0.00 C ATOM 1252 OD1 ASN A 74 10.899 4.110 10.795 1.00 0.00 O ATOM 1253 ND2 ASN A 74 9.534 5.396 12.029 1.00 0.00 N ATOM 0 H ASN A 74 7.789 0.893 12.426 1.00 0.00 H new ATOM 0 HA ASN A 74 7.543 3.336 10.814 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.766 3.222 13.055 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.952 2.193 12.277 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.990 6.253 11.717 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.752 5.443 12.682 1.00 0.00 H new ATOM 1260 N LEU A 75 9.348 2.758 9.025 1.00 0.00 N ATOM 1261 CA LEU A 75 9.997 2.322 7.790 1.00 0.00 C ATOM 1262 C LEU A 75 11.101 1.301 8.063 1.00 0.00 C ATOM 1263 O LEU A 75 11.361 0.421 7.243 1.00 0.00 O ATOM 1264 CB LEU A 75 10.579 3.526 7.046 1.00 0.00 C ATOM 1265 CG LEU A 75 10.531 3.429 5.519 1.00 0.00 C ATOM 1266 CD1 LEU A 75 9.261 4.071 4.984 1.00 0.00 C ATOM 1267 CD2 LEU A 75 11.761 4.080 4.904 1.00 0.00 C ATOM 0 H LEU A 75 9.346 3.768 9.164 1.00 0.00 H new ATOM 0 HA LEU A 75 9.239 1.842 7.171 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.039 4.421 7.355 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.616 3.658 7.354 1.00 0.00 H new ATOM 0 HG LEU A 75 10.526 2.375 5.241 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.244 3.993 3.897 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.392 3.559 5.398 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.235 5.122 5.273 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.710 4.001 3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.798 5.131 5.190 1.00 0.00 H new ATOM 0 HD23 LEU A 75 12.658 3.574 5.262 1.00 0.00 H new ATOM 1279 N GLU A 76 11.758 1.434 9.208 1.00 0.00 N ATOM 1280 CA GLU A 76 12.844 0.531 9.576 1.00 0.00 C ATOM 1281 C GLU A 76 12.338 -0.870 9.914 1.00 0.00 C ATOM 1282 O GLU A 76 12.793 -1.860 9.339 1.00 0.00 O ATOM 1283 CB GLU A 76 13.620 1.094 10.770 1.00 0.00 C ATOM 1284 CG GLU A 76 13.846 2.596 10.703 1.00 0.00 C ATOM 1285 CD GLU A 76 15.315 2.963 10.604 1.00 0.00 C ATOM 1286 OE1 GLU A 76 16.135 2.315 11.289 1.00 0.00 O ATOM 1287 OE2 GLU A 76 15.644 3.896 9.843 1.00 0.00 O ATOM 0 H GLU A 76 11.559 2.158 9.899 1.00 0.00 H new ATOM 0 HA GLU A 76 13.501 0.451 8.710 1.00 0.00 H new ATOM 0 HB2 GLU A 76 13.079 0.858 11.687 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.586 0.593 10.832 1.00 0.00 H new ATOM 0 HG2 GLU A 76 13.316 3.001 9.841 1.00 0.00 H new ATOM 0 HG3 GLU A 76 13.418 3.064 11.590 1.00 0.00 H new ATOM 1294 N GLU A 77 11.418 -0.951 10.870 1.00 0.00 N ATOM 1295 CA GLU A 77 10.877 -2.239 11.305 1.00 0.00 C ATOM 1296 C GLU A 77 9.836 -2.802 10.337 1.00 0.00 C ATOM 1297 O GLU A 77 9.347 -3.915 10.532 1.00 0.00 O ATOM 1298 CB GLU A 77 10.268 -2.108 12.703 1.00 0.00 C ATOM 1299 CG GLU A 77 9.078 -1.165 12.765 1.00 0.00 C ATOM 1300 CD GLU A 77 8.990 -0.427 14.086 1.00 0.00 C ATOM 1301 OE1 GLU A 77 9.570 -0.915 15.079 1.00 0.00 O ATOM 1302 OE2 GLU A 77 8.339 0.639 14.129 1.00 0.00 O ATOM 0 H GLU A 77 11.031 -0.144 11.359 1.00 0.00 H new ATOM 0 HA GLU A 77 11.710 -2.941 11.325 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.957 -3.094 13.048 1.00 0.00 H new ATOM 0 HB3 GLU A 77 11.035 -1.756 13.392 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.149 -0.442 11.953 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.161 -1.732 12.608 1.00 0.00 H new ATOM 1309 N THR A 78 9.494 -2.049 9.295 1.00 0.00 N ATOM 1310 CA THR A 78 8.509 -2.515 8.324 1.00 0.00 C ATOM 1311 C THR A 78 9.029 -3.735 7.569 1.00 0.00 C ATOM 1312 O THR A 78 8.368 -4.773 7.518 1.00 0.00 O ATOM 1313 CB THR A 78 8.148 -1.404 7.335 1.00 0.00 C ATOM 1314 OG1 THR A 78 9.039 -0.313 7.456 1.00 0.00 O ATOM 1315 CG2 THR A 78 6.745 -0.872 7.521 1.00 0.00 C ATOM 0 H THR A 78 9.879 -1.124 9.103 1.00 0.00 H new ATOM 0 HA THR A 78 7.610 -2.798 8.872 1.00 0.00 H new ATOM 0 HB THR A 78 8.219 -1.863 6.349 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.927 -0.579 7.138 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.553 -0.088 6.789 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.028 -1.681 7.382 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.641 -0.463 8.526 1.00 0.00 H new ATOM 1323 N GLY A 79 10.215 -3.604 6.984 1.00 0.00 N ATOM 1324 CA GLY A 79 10.801 -4.703 6.240 1.00 0.00 C ATOM 1325 C GLY A 79 11.005 -4.374 4.773 1.00 0.00 C ATOM 1326 O GLY A 79 11.865 -4.957 4.114 1.00 0.00 O ATOM 0 H GLY A 79 10.781 -2.756 7.012 1.00 0.00 H new ATOM 0 HA2 GLY A 79 11.760 -4.968 6.686 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.157 -5.578 6.326 1.00 0.00 H new ATOM 1330 N LEU A 80 10.210 -3.439 4.262 1.00 0.00 N ATOM 1331 CA LEU A 80 10.307 -3.034 2.861 1.00 0.00 C ATOM 1332 C LEU A 80 11.716 -2.553 2.527 1.00 0.00 C ATOM 1333 O LEU A 80 12.189 -2.723 1.404 1.00 0.00 O ATOM 1334 CB LEU A 80 9.294 -1.929 2.559 1.00 0.00 C ATOM 1335 CG LEU A 80 7.859 -2.230 2.995 1.00 0.00 C ATOM 1336 CD1 LEU A 80 7.242 -1.021 3.681 1.00 0.00 C ATOM 1337 CD2 LEU A 80 7.014 -2.657 1.802 1.00 0.00 C ATOM 0 H LEU A 80 9.492 -2.948 4.795 1.00 0.00 H new ATOM 0 HA LEU A 80 10.085 -3.903 2.242 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.622 -1.012 3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.299 -1.736 1.486 1.00 0.00 H new ATOM 0 HG LEU A 80 7.885 -3.053 3.709 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.221 -1.256 3.983 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.831 -0.762 4.561 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.231 -0.177 2.991 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.997 -2.867 2.133 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.997 -1.856 1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.442 -3.554 1.355 1.00 0.00 H new ATOM 1349 N THR A 81 12.378 -1.953 3.508 1.00 0.00 N ATOM 1350 CA THR A 81 13.734 -1.447 3.317 1.00 0.00 C ATOM 1351 C THR A 81 14.755 -2.574 3.419 1.00 0.00 C ATOM 1352 O THR A 81 15.779 -2.560 2.735 1.00 0.00 O ATOM 1353 CB THR A 81 14.045 -0.363 4.351 1.00 0.00 C ATOM 1354 OG1 THR A 81 13.547 -0.730 5.628 1.00 0.00 O ATOM 1355 CG2 THR A 81 13.456 0.985 3.999 1.00 0.00 C ATOM 0 H THR A 81 12.000 -1.804 4.444 1.00 0.00 H new ATOM 0 HA THR A 81 13.798 -1.015 2.318 1.00 0.00 H new ATOM 0 HB THR A 81 15.131 -0.276 4.361 1.00 0.00 H new ATOM 0 HG1 THR A 81 12.810 -0.134 5.875 1.00 0.00 H new ATOM 0 HG21 THR A 81 13.714 1.708 4.773 1.00 0.00 H new ATOM 0 HG22 THR A 81 13.858 1.319 3.042 1.00 0.00 H new ATOM 0 HG23 THR A 81 12.372 0.901 3.928 1.00 0.00 H new ATOM 1363 N ARG A 82 14.472 -3.547 4.278 1.00 0.00 N ATOM 1364 CA ARG A 82 15.366 -4.682 4.469 1.00 0.00 C ATOM 1365 C ARG A 82 15.421 -5.548 3.214 1.00 0.00 C ATOM 1366 O ARG A 82 16.440 -6.177 2.927 1.00 0.00 O ATOM 1367 CB ARG A 82 14.911 -5.522 5.663 1.00 0.00 C ATOM 1368 CG ARG A 82 14.905 -4.756 6.977 1.00 0.00 C ATOM 1369 CD ARG A 82 15.690 -5.485 8.056 1.00 0.00 C ATOM 1370 NE ARG A 82 14.987 -5.492 9.337 1.00 0.00 N ATOM 1371 CZ ARG A 82 14.954 -4.455 10.170 1.00 0.00 C ATOM 1372 NH1 ARG A 82 15.581 -3.327 9.862 1.00 0.00 N ATOM 1373 NH2 ARG A 82 14.289 -4.546 11.315 1.00 0.00 N ATOM 0 H ARG A 82 13.630 -3.572 4.853 1.00 0.00 H new ATOM 0 HA ARG A 82 16.366 -4.296 4.666 1.00 0.00 H new ATOM 0 HB2 ARG A 82 13.908 -5.902 5.469 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.567 -6.387 5.759 1.00 0.00 H new ATOM 0 HG2 ARG A 82 15.332 -3.765 6.823 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.877 -4.612 7.309 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.875 -6.511 7.739 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.663 -5.010 8.180 1.00 0.00 H new ATOM 0 HE ARG A 82 14.493 -6.342 9.609 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.092 -3.251 8.982 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.552 -2.536 10.505 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.804 -5.410 11.556 1.00 0.00 H new ATOM 0 HH22 ARG A 82 14.263 -3.752 11.954 1.00 0.00 H new ATOM 1387 N LYS A 83 14.319 -5.578 2.471 1.00 0.00 N ATOM 1388 CA LYS A 83 14.244 -6.368 1.248 1.00 0.00 C ATOM 1389 C LYS A 83 15.239 -5.857 0.211 1.00 0.00 C ATOM 1390 O LYS A 83 16.048 -4.973 0.495 1.00 0.00 O ATOM 1391 CB LYS A 83 12.824 -6.328 0.677 1.00 0.00 C ATOM 1392 CG LYS A 83 11.999 -7.559 1.014 1.00 0.00 C ATOM 1393 CD LYS A 83 11.129 -7.329 2.238 1.00 0.00 C ATOM 1394 CE LYS A 83 9.984 -8.325 2.304 1.00 0.00 C ATOM 1395 NZ LYS A 83 10.470 -9.733 2.290 1.00 0.00 N ATOM 0 H LYS A 83 13.466 -5.065 2.695 1.00 0.00 H new ATOM 0 HA LYS A 83 14.499 -7.399 1.492 1.00 0.00 H new ATOM 0 HB2 LYS A 83 12.313 -5.443 1.057 1.00 0.00 H new ATOM 0 HB3 LYS A 83 12.880 -6.223 -0.407 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.370 -7.821 0.163 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.662 -8.405 1.192 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.737 -7.413 3.139 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.730 -6.315 2.216 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.403 -8.151 3.210 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.314 -8.164 1.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 9.684 -10.374 2.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.837 -9.964 1.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.228 -9.846 2.993 1.00 0.00 H new ATOM 1409 N ARG A 84 15.175 -6.421 -0.991 1.00 0.00 N ATOM 1410 CA ARG A 84 16.072 -6.022 -2.069 1.00 0.00 C ATOM 1411 C ARG A 84 15.439 -4.935 -2.932 1.00 0.00 C ATOM 1412 O ARG A 84 15.004 -5.192 -4.055 1.00 0.00 O ATOM 1413 CB ARG A 84 16.433 -7.232 -2.934 1.00 0.00 C ATOM 1414 CG ARG A 84 17.752 -7.884 -2.548 1.00 0.00 C ATOM 1415 CD ARG A 84 18.853 -7.549 -3.540 1.00 0.00 C ATOM 1416 NE ARG A 84 19.935 -8.530 -3.511 1.00 0.00 N ATOM 1417 CZ ARG A 84 20.836 -8.614 -2.534 1.00 0.00 C ATOM 1418 NH1 ARG A 84 20.790 -7.774 -1.507 1.00 0.00 N ATOM 1419 NH2 ARG A 84 21.786 -9.537 -2.585 1.00 0.00 N ATOM 0 H ARG A 84 14.512 -7.155 -1.242 1.00 0.00 H new ATOM 0 HA ARG A 84 16.981 -5.620 -1.621 1.00 0.00 H new ATOM 0 HB2 ARG A 84 15.636 -7.972 -2.860 1.00 0.00 H new ATOM 0 HB3 ARG A 84 16.483 -6.920 -3.977 1.00 0.00 H new ATOM 0 HG2 ARG A 84 18.045 -7.551 -1.552 1.00 0.00 H new ATOM 0 HG3 ARG A 84 17.623 -8.965 -2.498 1.00 0.00 H new ATOM 0 HD2 ARG A 84 18.433 -7.502 -4.545 1.00 0.00 H new ATOM 0 HD3 ARG A 84 19.254 -6.561 -3.316 1.00 0.00 H new ATOM 0 HE ARG A 84 20.005 -9.190 -4.285 1.00 0.00 H new ATOM 0 HH11 ARG A 84 20.062 -7.060 -1.464 1.00 0.00 H new ATOM 0 HH12 ARG A 84 21.482 -7.842 -0.761 1.00 0.00 H new ATOM 0 HH21 ARG A 84 21.827 -10.183 -3.373 1.00 0.00 H new ATOM 0 HH22 ARG A 84 22.476 -9.601 -1.836 1.00 0.00 H new ATOM 1433 N GLY A 85 15.392 -3.717 -2.401 1.00 0.00 N ATOM 1434 CA GLY A 85 14.814 -2.608 -3.135 1.00 0.00 C ATOM 1435 C GLY A 85 13.311 -2.735 -3.295 1.00 0.00 C ATOM 1436 O GLY A 85 12.810 -2.887 -4.410 1.00 0.00 O ATOM 0 H GLY A 85 15.745 -3.479 -1.474 1.00 0.00 H new ATOM 0 HA2 GLY A 85 15.043 -1.676 -2.618 1.00 0.00 H new ATOM 0 HA3 GLY A 85 15.277 -2.548 -4.120 1.00 0.00 H new ATOM 1440 N ALA A 86 12.592 -2.670 -2.181 1.00 0.00 N ATOM 1441 CA ALA A 86 11.138 -2.775 -2.202 1.00 0.00 C ATOM 1442 C ALA A 86 10.496 -1.511 -2.774 1.00 0.00 C ATOM 1443 O ALA A 86 9.295 -1.484 -3.043 1.00 0.00 O ATOM 1444 CB ALA A 86 10.610 -3.045 -0.802 1.00 0.00 C ATOM 0 H ALA A 86 12.992 -2.545 -1.251 1.00 0.00 H new ATOM 0 HA ALA A 86 10.872 -3.609 -2.851 1.00 0.00 H new ATOM 0 HB1 ALA A 86 9.523 -3.121 -0.831 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.029 -3.979 -0.429 1.00 0.00 H new ATOM 0 HB3 ALA A 86 10.899 -2.228 -0.140 1.00 0.00 H new ATOM 1450 N GLU A 87 11.299 -0.464 -2.956 1.00 0.00 N ATOM 1451 CA GLU A 87 10.803 0.800 -3.492 1.00 0.00 C ATOM 1452 C GLU A 87 10.040 0.590 -4.797 1.00 0.00 C ATOM 1453 O GLU A 87 10.350 -0.315 -5.572 1.00 0.00 O ATOM 1454 CB GLU A 87 11.963 1.771 -3.719 1.00 0.00 C ATOM 1455 CG GLU A 87 11.521 3.216 -3.885 1.00 0.00 C ATOM 1456 CD GLU A 87 11.996 4.106 -2.753 1.00 0.00 C ATOM 1457 OE1 GLU A 87 13.068 3.817 -2.180 1.00 0.00 O ATOM 1458 OE2 GLU A 87 11.297 5.091 -2.439 1.00 0.00 O ATOM 0 H GLU A 87 12.296 -0.467 -2.740 1.00 0.00 H new ATOM 0 HA GLU A 87 10.115 1.224 -2.760 1.00 0.00 H new ATOM 0 HB2 GLU A 87 12.652 1.705 -2.877 1.00 0.00 H new ATOM 0 HB3 GLU A 87 12.515 1.464 -4.607 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.903 3.602 -4.830 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.433 3.255 -3.941 1.00 0.00 H new ATOM 1465 N ILE A 88 9.039 1.435 -5.032 1.00 0.00 N ATOM 1466 CA ILE A 88 8.228 1.349 -6.243 1.00 0.00 C ATOM 1467 C ILE A 88 7.916 2.735 -6.794 1.00 0.00 C ATOM 1468 O ILE A 88 8.315 3.748 -6.218 1.00 0.00 O ATOM 1469 CB ILE A 88 6.900 0.612 -5.985 1.00 0.00 C ATOM 1470 CG1 ILE A 88 6.215 1.168 -4.735 1.00 0.00 C ATOM 1471 CG2 ILE A 88 7.137 -0.883 -5.847 1.00 0.00 C ATOM 1472 CD1 ILE A 88 4.781 1.577 -4.971 1.00 0.00 C ATOM 0 H ILE A 88 8.770 2.188 -4.399 1.00 0.00 H new ATOM 0 HA ILE A 88 8.814 0.788 -6.971 1.00 0.00 H new ATOM 0 HB ILE A 88 6.242 0.776 -6.839 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.246 0.415 -3.947 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.777 2.030 -4.374 1.00 0.00 H new ATOM 0 HG21 ILE A 88 6.188 -1.387 -5.665 1.00 0.00 H new ATOM 0 HG22 ILE A 88 7.582 -1.267 -6.765 1.00 0.00 H new ATOM 0 HG23 ILE A 88 7.812 -1.069 -5.012 1.00 0.00 H new ATOM 0 HD11 ILE A 88 4.355 1.962 -4.044 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.745 2.352 -5.737 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.206 0.712 -5.303 1.00 0.00 H new ATOM 1484 N LEU A 89 7.193 2.773 -7.907 1.00 0.00 N ATOM 1485 CA LEU A 89 6.820 4.035 -8.532 1.00 0.00 C ATOM 1486 C LEU A 89 5.397 4.427 -8.142 1.00 0.00 C ATOM 1487 O LEU A 89 4.557 3.564 -7.885 1.00 0.00 O ATOM 1488 CB LEU A 89 6.936 3.934 -10.055 1.00 0.00 C ATOM 1489 CG LEU A 89 6.242 2.722 -10.681 1.00 0.00 C ATOM 1490 CD1 LEU A 89 5.633 3.091 -12.026 1.00 0.00 C ATOM 1491 CD2 LEU A 89 7.222 1.569 -10.835 1.00 0.00 C ATOM 0 H LEU A 89 6.854 1.944 -8.395 1.00 0.00 H new ATOM 0 HA LEU A 89 7.505 4.806 -8.178 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.519 4.839 -10.496 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.992 3.906 -10.322 1.00 0.00 H new ATOM 0 HG LEU A 89 5.438 2.404 -10.017 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.144 2.217 -12.456 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.900 3.886 -11.888 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.418 3.435 -12.699 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.712 0.715 -11.282 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.047 1.876 -11.478 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.610 1.288 -9.856 1.00 0.00 H new ATOM 1503 N PRO A 90 5.107 5.737 -8.087 1.00 0.00 N ATOM 1504 CA PRO A 90 3.776 6.235 -7.721 1.00 0.00 C ATOM 1505 C PRO A 90 2.704 5.815 -8.722 1.00 0.00 C ATOM 1506 O PRO A 90 1.542 5.644 -8.364 1.00 0.00 O ATOM 1507 CB PRO A 90 3.944 7.758 -7.722 1.00 0.00 C ATOM 1508 CG PRO A 90 5.140 8.014 -8.572 1.00 0.00 C ATOM 1509 CD PRO A 90 6.046 6.834 -8.375 1.00 0.00 C ATOM 0 HA PRO A 90 3.444 5.834 -6.763 1.00 0.00 H new ATOM 0 HB2 PRO A 90 3.060 8.252 -8.125 1.00 0.00 H new ATOM 0 HB3 PRO A 90 4.089 8.140 -6.711 1.00 0.00 H new ATOM 0 HG2 PRO A 90 4.859 8.120 -9.620 1.00 0.00 H new ATOM 0 HG3 PRO A 90 5.636 8.940 -8.280 1.00 0.00 H new ATOM 0 HD2 PRO A 90 6.643 6.631 -9.264 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.743 6.994 -7.553 1.00 0.00 H new ATOM 1517 N ARG A 91 3.105 5.653 -9.978 1.00 0.00 N ATOM 1518 CA ARG A 91 2.179 5.259 -11.034 1.00 0.00 C ATOM 1519 C ARG A 91 1.480 3.943 -10.702 1.00 0.00 C ATOM 1520 O ARG A 91 0.259 3.838 -10.802 1.00 0.00 O ATOM 1521 CB ARG A 91 2.925 5.128 -12.362 1.00 0.00 C ATOM 1522 CG ARG A 91 2.284 5.907 -13.496 1.00 0.00 C ATOM 1523 CD ARG A 91 0.885 5.396 -13.802 1.00 0.00 C ATOM 1524 NE ARG A 91 0.040 6.435 -14.387 1.00 0.00 N ATOM 1525 CZ ARG A 91 0.166 6.879 -15.635 1.00 0.00 C ATOM 1526 NH1 ARG A 91 1.104 6.381 -16.432 1.00 0.00 N ATOM 1527 NH2 ARG A 91 -0.647 7.823 -16.088 1.00 0.00 N ATOM 0 H ARG A 91 4.066 5.789 -10.290 1.00 0.00 H new ATOM 0 HA ARG A 91 1.418 6.035 -11.117 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.950 5.473 -12.229 1.00 0.00 H new ATOM 0 HB3 ARG A 91 2.976 4.075 -12.639 1.00 0.00 H new ATOM 0 HG2 ARG A 91 2.237 6.964 -13.232 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.904 5.829 -14.389 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.949 4.552 -14.488 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.425 5.027 -12.885 1.00 0.00 H new ATOM 0 HE ARG A 91 -0.690 6.844 -13.804 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.732 5.655 -16.088 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.196 6.725 -17.388 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -1.369 8.209 -15.480 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -0.550 8.163 -17.045 1.00 0.00 H new ATOM 1541 N GLN A 92 2.262 2.939 -10.322 1.00 0.00 N ATOM 1542 CA GLN A 92 1.715 1.627 -9.991 1.00 0.00 C ATOM 1543 C GLN A 92 0.810 1.688 -8.764 1.00 0.00 C ATOM 1544 O GLN A 92 -0.288 1.128 -8.758 1.00 0.00 O ATOM 1545 CB GLN A 92 2.849 0.629 -9.750 1.00 0.00 C ATOM 1546 CG GLN A 92 3.595 0.238 -11.016 1.00 0.00 C ATOM 1547 CD GLN A 92 3.268 -1.169 -11.475 1.00 0.00 C ATOM 1548 OE1 GLN A 92 3.433 -2.131 -10.726 1.00 0.00 O ATOM 1549 NE2 GLN A 92 2.802 -1.294 -12.711 1.00 0.00 N ATOM 0 H GLN A 92 3.276 3.008 -10.235 1.00 0.00 H new ATOM 0 HA GLN A 92 1.113 1.297 -10.837 1.00 0.00 H new ATOM 0 HB2 GLN A 92 3.556 1.059 -9.040 1.00 0.00 H new ATOM 0 HB3 GLN A 92 2.439 -0.269 -9.288 1.00 0.00 H new ATOM 0 HG2 GLN A 92 3.348 0.942 -11.811 1.00 0.00 H new ATOM 0 HG3 GLN A 92 4.668 0.319 -10.841 1.00 0.00 H new ATOM 0 HE21 GLN A 92 2.681 -0.468 -13.297 1.00 0.00 H new ATOM 0 HE22 GLN A 92 2.564 -2.216 -13.076 1.00 0.00 H new ATOM 1558 N PHE A 93 1.274 2.364 -7.726 1.00 0.00 N ATOM 1559 CA PHE A 93 0.507 2.485 -6.495 1.00 0.00 C ATOM 1560 C PHE A 93 -0.785 3.269 -6.719 1.00 0.00 C ATOM 1561 O PHE A 93 -1.844 2.886 -6.221 1.00 0.00 O ATOM 1562 CB PHE A 93 1.351 3.165 -5.414 1.00 0.00 C ATOM 1563 CG PHE A 93 0.653 3.288 -4.090 1.00 0.00 C ATOM 1564 CD1 PHE A 93 -0.363 4.212 -3.909 1.00 0.00 C ATOM 1565 CD2 PHE A 93 1.020 2.484 -3.022 1.00 0.00 C ATOM 1566 CE1 PHE A 93 -1.004 4.330 -2.690 1.00 0.00 C ATOM 1567 CE2 PHE A 93 0.384 2.597 -1.801 1.00 0.00 C ATOM 1568 CZ PHE A 93 -0.629 3.521 -1.635 1.00 0.00 C ATOM 0 H PHE A 93 2.177 2.837 -7.710 1.00 0.00 H new ATOM 0 HA PHE A 93 0.240 1.481 -6.166 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.273 2.600 -5.277 1.00 0.00 H new ATOM 0 HB3 PHE A 93 1.634 4.159 -5.759 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -0.658 4.848 -4.730 1.00 0.00 H new ATOM 0 HD2 PHE A 93 1.812 1.761 -3.146 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.796 5.053 -2.563 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.678 1.964 -0.977 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.128 3.611 -0.681 1.00 0.00 H new ATOM 1578 N GLU A 94 -0.693 4.371 -7.455 1.00 0.00 N ATOM 1579 CA GLU A 94 -1.860 5.208 -7.716 1.00 0.00 C ATOM 1580 C GLU A 94 -2.744 4.642 -8.825 1.00 0.00 C ATOM 1581 O GLU A 94 -3.959 4.848 -8.810 1.00 0.00 O ATOM 1582 CB GLU A 94 -1.433 6.635 -8.062 1.00 0.00 C ATOM 1583 CG GLU A 94 -1.966 7.675 -7.087 1.00 0.00 C ATOM 1584 CD GLU A 94 -0.876 8.576 -6.539 1.00 0.00 C ATOM 1585 OE1 GLU A 94 -0.392 9.447 -7.291 1.00 0.00 O ATOM 1586 OE2 GLU A 94 -0.507 8.409 -5.356 1.00 0.00 O ATOM 0 H GLU A 94 0.172 4.705 -7.880 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.451 5.221 -6.800 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.344 6.687 -8.079 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.780 6.877 -9.067 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.718 8.285 -7.588 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.464 7.170 -6.260 1.00 0.00 H new ATOM 1593 N GLU A 95 -2.156 3.927 -9.785 1.00 0.00 N ATOM 1594 CA GLU A 95 -2.953 3.358 -10.867 1.00 0.00 C ATOM 1595 C GLU A 95 -3.929 2.334 -10.305 1.00 0.00 C ATOM 1596 O GLU A 95 -5.117 2.355 -10.630 1.00 0.00 O ATOM 1597 CB GLU A 95 -2.071 2.729 -11.950 1.00 0.00 C ATOM 1598 CG GLU A 95 -1.319 1.494 -11.495 1.00 0.00 C ATOM 1599 CD GLU A 95 -0.541 0.836 -12.619 1.00 0.00 C ATOM 1600 OE1 GLU A 95 0.491 1.403 -13.035 1.00 0.00 O ATOM 1601 OE2 GLU A 95 -0.967 -0.243 -13.082 1.00 0.00 O ATOM 0 H GLU A 95 -1.156 3.732 -9.835 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.513 4.166 -11.337 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.695 2.467 -12.805 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.352 3.472 -12.295 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.632 1.766 -10.694 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -2.026 0.776 -11.079 1.00 0.00 H new ATOM 1608 N ILE A 96 -3.432 1.456 -9.438 1.00 0.00 N ATOM 1609 CA ILE A 96 -4.284 0.455 -8.819 1.00 0.00 C ATOM 1610 C ILE A 96 -5.217 1.115 -7.812 1.00 0.00 C ATOM 1611 O ILE A 96 -6.388 0.744 -7.688 1.00 0.00 O ATOM 1612 CB ILE A 96 -3.463 -0.629 -8.110 1.00 0.00 C ATOM 1613 CG1 ILE A 96 -2.402 -1.186 -9.056 1.00 0.00 C ATOM 1614 CG2 ILE A 96 -4.377 -1.740 -7.615 1.00 0.00 C ATOM 1615 CD1 ILE A 96 -2.975 -1.748 -10.337 1.00 0.00 C ATOM 0 H ILE A 96 -2.453 1.420 -9.153 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.863 -0.018 -9.612 1.00 0.00 H new ATOM 0 HB ILE A 96 -2.961 -0.187 -7.249 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.693 -0.395 -9.300 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.843 -1.968 -8.543 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -3.783 -2.504 -7.113 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.104 -1.328 -6.915 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.900 -2.185 -8.461 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.166 -2.126 -10.962 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.663 -2.560 -10.102 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.510 -0.963 -10.872 1.00 0.00 H new ATOM 1627 N TRP A 97 -4.688 2.111 -7.102 1.00 0.00 N ATOM 1628 CA TRP A 97 -5.462 2.847 -6.109 1.00 0.00 C ATOM 1629 C TRP A 97 -6.758 3.359 -6.725 1.00 0.00 C ATOM 1630 O TRP A 97 -7.813 3.328 -6.095 1.00 0.00 O ATOM 1631 CB TRP A 97 -4.639 4.019 -5.569 1.00 0.00 C ATOM 1632 CG TRP A 97 -5.215 4.647 -4.338 1.00 0.00 C ATOM 1633 CD1 TRP A 97 -5.638 5.937 -4.197 1.00 0.00 C ATOM 1634 CD2 TRP A 97 -5.420 4.014 -3.070 1.00 0.00 C ATOM 1635 NE1 TRP A 97 -6.106 6.143 -2.920 1.00 0.00 N ATOM 1636 CE2 TRP A 97 -5.980 4.978 -2.208 1.00 0.00 C ATOM 1637 CE3 TRP A 97 -5.190 2.726 -2.581 1.00 0.00 C ATOM 1638 CZ2 TRP A 97 -6.310 4.692 -0.885 1.00 0.00 C ATOM 1639 CZ3 TRP A 97 -5.516 2.443 -1.268 1.00 0.00 C ATOM 1640 CH2 TRP A 97 -6.072 3.420 -0.433 1.00 0.00 C ATOM 0 H TRP A 97 -3.723 2.426 -7.198 1.00 0.00 H new ATOM 0 HA TRP A 97 -5.707 2.176 -5.286 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -3.630 3.671 -5.349 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -4.552 4.778 -6.346 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -5.609 6.686 -4.974 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -6.485 7.019 -2.561 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -4.765 1.964 -3.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -6.738 5.445 -0.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -5.339 1.451 -0.879 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -6.318 3.166 0.587 1.00 0.00 H new ATOM 1651 N GLU A 98 -6.667 3.818 -7.969 1.00 0.00 N ATOM 1652 CA GLU A 98 -7.830 4.328 -8.685 1.00 0.00 C ATOM 1653 C GLU A 98 -8.590 3.189 -9.363 1.00 0.00 C ATOM 1654 O GLU A 98 -9.788 3.301 -9.628 1.00 0.00 O ATOM 1655 CB GLU A 98 -7.399 5.366 -9.726 1.00 0.00 C ATOM 1656 CG GLU A 98 -7.807 6.788 -9.372 1.00 0.00 C ATOM 1657 CD GLU A 98 -7.176 7.820 -10.284 1.00 0.00 C ATOM 1658 OE1 GLU A 98 -6.732 7.443 -11.390 1.00 0.00 O ATOM 1659 OE2 GLU A 98 -7.127 9.006 -9.894 1.00 0.00 O ATOM 0 H GLU A 98 -5.798 3.847 -8.503 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.494 4.805 -7.964 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.316 5.325 -9.841 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.832 5.102 -10.691 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.892 6.875 -9.427 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.522 6.998 -8.341 1.00 0.00 H new ATOM 1666 N ARG A 99 -7.885 2.095 -9.645 1.00 0.00 N ATOM 1667 CA ARG A 99 -8.491 0.936 -10.294 1.00 0.00 C ATOM 1668 C ARG A 99 -9.682 0.414 -9.496 1.00 0.00 C ATOM 1669 O ARG A 99 -10.735 0.116 -10.057 1.00 0.00 O ATOM 1670 CB ARG A 99 -7.458 -0.173 -10.468 1.00 0.00 C ATOM 1671 CG ARG A 99 -7.117 -0.452 -11.922 1.00 0.00 C ATOM 1672 CD ARG A 99 -5.777 -1.151 -12.056 1.00 0.00 C ATOM 1673 NE ARG A 99 -4.859 -0.416 -12.925 1.00 0.00 N ATOM 1674 CZ ARG A 99 -4.923 -0.435 -14.254 1.00 0.00 C ATOM 1675 NH1 ARG A 99 -5.850 -1.155 -14.871 1.00 0.00 N ATOM 1676 NH2 ARG A 99 -4.052 0.267 -14.968 1.00 0.00 N ATOM 0 H ARG A 99 -6.893 1.988 -9.434 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.849 1.252 -11.274 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -6.548 0.100 -9.934 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -7.835 -1.087 -10.008 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -7.897 -1.070 -12.367 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -7.097 0.485 -12.478 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -5.328 -1.266 -11.069 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -5.930 -2.154 -12.456 1.00 0.00 H new ATOM 0 HE ARG A 99 -4.127 0.144 -12.487 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -6.520 -1.699 -14.327 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -5.893 -1.165 -15.890 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -3.335 0.820 -14.498 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -4.099 0.254 -15.987 1.00 0.00 H new ATOM 1690 N CYS A 100 -9.503 0.295 -8.184 1.00 0.00 N ATOM 1691 CA CYS A 100 -10.566 -0.204 -7.315 1.00 0.00 C ATOM 1692 C CYS A 100 -11.467 0.927 -6.822 1.00 0.00 C ATOM 1693 O CYS A 100 -12.686 0.875 -6.992 1.00 0.00 O ATOM 1694 CB CYS A 100 -9.982 -0.970 -6.123 1.00 0.00 C ATOM 1695 SG CYS A 100 -8.541 -0.190 -5.358 1.00 0.00 S ATOM 0 H CYS A 100 -8.638 0.535 -7.700 1.00 0.00 H new ATOM 0 HA CYS A 100 -11.175 -0.887 -7.908 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -10.759 -1.087 -5.368 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -9.704 -1.971 -6.452 1.00 0.00 H new ATOM 0 HG CYS A 100 -7.621 -0.002 -6.257 1.00 0.00 H new ATOM 1701 N GLY A 101 -10.869 1.945 -6.210 1.00 0.00 N ATOM 1702 CA GLY A 101 -11.646 3.063 -5.705 1.00 0.00 C ATOM 1703 C GLY A 101 -11.025 3.694 -4.474 1.00 0.00 C ATOM 1704 O GLY A 101 -11.717 3.970 -3.491 1.00 0.00 O ATOM 0 H GLY A 101 -9.863 2.016 -6.055 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.742 3.817 -6.486 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -12.653 2.722 -5.466 1.00 0.00 H new ATOM 1708 N GLY A 102 -9.720 3.925 -4.526 1.00 0.00 N ATOM 1709 CA GLY A 102 -9.025 4.525 -3.406 1.00 0.00 C ATOM 1710 C GLY A 102 -9.372 5.991 -3.229 1.00 0.00 C ATOM 1711 O GLY A 102 -9.514 6.470 -2.105 1.00 0.00 O ATOM 0 H GLY A 102 -9.129 3.706 -5.328 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -9.275 3.983 -2.494 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.950 4.424 -3.553 1.00 0.00 H new ATOM 1715 N ILE A 103 -9.508 6.702 -4.343 1.00 0.00 N ATOM 1716 CA ILE A 103 -9.840 8.120 -4.305 1.00 0.00 C ATOM 1717 C ILE A 103 -11.205 8.343 -3.666 1.00 0.00 C ATOM 1718 O ILE A 103 -11.332 9.096 -2.701 1.00 0.00 O ATOM 1719 CB ILE A 103 -9.836 8.742 -5.715 1.00 0.00 C ATOM 1720 CG1 ILE A 103 -8.582 8.320 -6.486 1.00 0.00 C ATOM 1721 CG2 ILE A 103 -9.923 10.258 -5.625 1.00 0.00 C ATOM 1722 CD1 ILE A 103 -7.291 8.608 -5.752 1.00 0.00 C ATOM 0 H ILE A 103 -9.394 6.320 -5.282 1.00 0.00 H new ATOM 0 HA ILE A 103 -9.073 8.608 -3.704 1.00 0.00 H new ATOM 0 HB ILE A 103 -10.709 8.377 -6.256 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -8.639 7.252 -6.698 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -8.566 8.835 -7.446 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -9.919 10.683 -6.629 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.844 10.540 -5.115 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -9.068 10.639 -5.066 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -6.447 8.282 -6.359 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -7.211 9.679 -5.564 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -7.284 8.071 -4.803 1.00 0.00 H new ATOM 1734 N GLN A 104 -12.226 7.682 -4.204 1.00 0.00 N ATOM 1735 CA GLN A 104 -13.580 7.812 -3.676 1.00 0.00 C ATOM 1736 C GLN A 104 -13.613 7.457 -2.191 1.00 0.00 C ATOM 1737 O GLN A 104 -14.215 8.169 -1.387 1.00 0.00 O ATOM 1738 CB GLN A 104 -14.557 6.922 -4.451 1.00 0.00 C ATOM 1739 CG GLN A 104 -13.995 5.554 -4.806 1.00 0.00 C ATOM 1740 CD GLN A 104 -13.940 5.317 -6.302 1.00 0.00 C ATOM 1741 OE1 GLN A 104 -14.278 4.235 -6.783 1.00 0.00 O ATOM 1742 NE2 GLN A 104 -13.512 6.329 -7.047 1.00 0.00 N ATOM 0 H GLN A 104 -12.142 7.053 -5.003 1.00 0.00 H new ATOM 0 HA GLN A 104 -13.889 8.850 -3.796 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -15.462 6.790 -3.858 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -14.850 7.433 -5.368 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -12.992 5.458 -4.390 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -14.608 4.782 -4.342 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -13.242 7.208 -6.606 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -13.453 6.227 -8.060 1.00 0.00 H new ATOM 1751 N TYR A 105 -12.951 6.359 -1.833 1.00 0.00 N ATOM 1752 CA TYR A 105 -12.897 5.923 -0.441 1.00 0.00 C ATOM 1753 C TYR A 105 -12.254 7.002 0.429 1.00 0.00 C ATOM 1754 O TYR A 105 -12.791 7.379 1.471 1.00 0.00 O ATOM 1755 CB TYR A 105 -12.110 4.612 -0.329 1.00 0.00 C ATOM 1756 CG TYR A 105 -11.764 4.221 1.092 1.00 0.00 C ATOM 1757 CD1 TYR A 105 -12.761 3.969 2.024 1.00 0.00 C ATOM 1758 CD2 TYR A 105 -10.439 4.106 1.497 1.00 0.00 C ATOM 1759 CE1 TYR A 105 -12.449 3.612 3.324 1.00 0.00 C ATOM 1760 CE2 TYR A 105 -10.121 3.750 2.793 1.00 0.00 C ATOM 1761 CZ TYR A 105 -11.127 3.505 3.702 1.00 0.00 C ATOM 1762 OH TYR A 105 -10.813 3.151 4.994 1.00 0.00 O ATOM 0 H TYR A 105 -12.447 5.758 -2.485 1.00 0.00 H new ATOM 0 HA TYR A 105 -13.914 5.753 -0.088 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -12.692 3.811 -0.784 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -11.189 4.703 -0.904 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -13.797 4.053 1.730 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.647 4.298 0.788 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -13.236 3.418 4.038 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -9.087 3.664 3.093 1.00 0.00 H new ATOM 0 HH TYR A 105 -9.839 3.119 5.097 1.00 0.00 H new ATOM 1772 N LEU A 106 -11.104 7.495 -0.015 1.00 0.00 N ATOM 1773 CA LEU A 106 -10.383 8.532 0.712 1.00 0.00 C ATOM 1774 C LEU A 106 -11.237 9.787 0.854 1.00 0.00 C ATOM 1775 O LEU A 106 -11.329 10.368 1.935 1.00 0.00 O ATOM 1776 CB LEU A 106 -9.076 8.864 -0.007 1.00 0.00 C ATOM 1777 CG LEU A 106 -7.817 8.649 0.828 1.00 0.00 C ATOM 1778 CD1 LEU A 106 -7.708 9.707 1.914 1.00 0.00 C ATOM 1779 CD2 LEU A 106 -7.809 7.253 1.434 1.00 0.00 C ATOM 0 H LEU A 106 -10.650 7.192 -0.877 1.00 0.00 H new ATOM 0 HA LEU A 106 -10.156 8.157 1.710 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -9.007 8.253 -0.907 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -9.109 9.905 -0.329 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.951 8.742 0.173 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -6.804 9.537 2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.663 10.695 1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -8.579 9.649 2.567 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -6.904 7.118 2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.683 7.129 2.074 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -7.835 6.510 0.637 1.00 0.00 H new ATOM 1791 N GLN A 107 -11.858 10.195 -0.244 1.00 0.00 N ATOM 1792 CA GLN A 107 -12.710 11.379 -0.254 1.00 0.00 C ATOM 1793 C GLN A 107 -13.863 11.233 0.737 1.00 0.00 C ATOM 1794 O GLN A 107 -14.357 12.219 1.283 1.00 0.00 O ATOM 1795 CB GLN A 107 -13.261 11.621 -1.662 1.00 0.00 C ATOM 1796 CG GLN A 107 -12.548 12.732 -2.413 1.00 0.00 C ATOM 1797 CD GLN A 107 -13.071 14.109 -2.051 1.00 0.00 C ATOM 1798 OE1 GLN A 107 -12.486 14.810 -1.226 1.00 0.00 O ATOM 1799 NE2 GLN A 107 -14.180 14.501 -2.666 1.00 0.00 N ATOM 0 H GLN A 107 -11.788 9.721 -1.145 1.00 0.00 H new ATOM 0 HA GLN A 107 -12.104 12.234 0.047 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -13.184 10.698 -2.237 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -14.321 11.864 -1.591 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -11.481 12.684 -2.197 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -12.664 12.574 -3.485 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -14.632 13.887 -3.343 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -14.580 15.417 -2.461 1.00 0.00 H new ATOM 1808 N SER A 108 -14.290 9.993 0.961 1.00 0.00 N ATOM 1809 CA SER A 108 -15.387 9.712 1.882 1.00 0.00 C ATOM 1810 C SER A 108 -14.966 9.967 3.324 1.00 0.00 C ATOM 1811 O SER A 108 -15.642 10.683 4.063 1.00 0.00 O ATOM 1812 CB SER A 108 -15.856 8.264 1.723 1.00 0.00 C ATOM 1813 OG SER A 108 -17.258 8.159 1.896 1.00 0.00 O ATOM 0 H SER A 108 -13.892 9.166 0.516 1.00 0.00 H new ATOM 0 HA SER A 108 -16.212 10.382 1.640 1.00 0.00 H new ATOM 0 HB2 SER A 108 -15.580 7.896 0.735 1.00 0.00 H new ATOM 0 HB3 SER A 108 -15.348 7.632 2.452 1.00 0.00 H new ATOM 0 HG SER A 108 -17.532 7.224 1.788 1.00 0.00 H new ATOM 1819 N ALA A 109 -13.831 9.394 3.713 1.00 0.00 N ATOM 1820 CA ALA A 109 -13.313 9.583 5.062 1.00 0.00 C ATOM 1821 C ALA A 109 -12.779 11.000 5.210 1.00 0.00 C ATOM 1822 O ALA A 109 -12.832 11.598 6.286 1.00 0.00 O ATOM 1823 CB ALA A 109 -12.223 8.565 5.362 1.00 0.00 C ATOM 0 H ALA A 109 -13.256 8.799 3.117 1.00 0.00 H new ATOM 0 HA ALA A 109 -14.121 9.433 5.778 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.848 8.721 6.373 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -12.632 7.558 5.278 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -11.407 8.685 4.650 1.00 0.00 H new ATOM 1829 N ILE A 110 -12.278 11.529 4.100 1.00 0.00 N ATOM 1830 CA ILE A 110 -11.743 12.876 4.056 1.00 0.00 C ATOM 1831 C ILE A 110 -12.812 13.886 4.467 1.00 0.00 C ATOM 1832 O ILE A 110 -12.574 14.749 5.313 1.00 0.00 O ATOM 1833 CB ILE A 110 -11.224 13.196 2.635 1.00 0.00 C ATOM 1834 CG1 ILE A 110 -9.801 12.665 2.461 1.00 0.00 C ATOM 1835 CG2 ILE A 110 -11.272 14.685 2.347 1.00 0.00 C ATOM 1836 CD1 ILE A 110 -9.351 12.601 1.017 1.00 0.00 C ATOM 0 H ILE A 110 -12.233 11.034 3.209 1.00 0.00 H new ATOM 0 HA ILE A 110 -10.912 12.945 4.758 1.00 0.00 H new ATOM 0 HB ILE A 110 -11.879 12.699 1.919 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -9.114 13.301 3.019 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -9.738 11.668 2.897 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -10.900 14.873 1.340 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -12.300 15.038 2.426 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -10.650 15.215 3.068 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -8.333 12.215 0.970 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -10.015 11.942 0.458 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.381 13.600 0.582 1.00 0.00 H new ATOM 1848 N GLU A 111 -13.992 13.763 3.869 1.00 0.00 N ATOM 1849 CA GLU A 111 -15.103 14.655 4.178 1.00 0.00 C ATOM 1850 C GLU A 111 -15.571 14.440 5.611 1.00 0.00 C ATOM 1851 O GLU A 111 -15.846 15.395 6.338 1.00 0.00 O ATOM 1852 CB GLU A 111 -16.261 14.421 3.207 1.00 0.00 C ATOM 1853 CG GLU A 111 -15.967 14.871 1.785 1.00 0.00 C ATOM 1854 CD GLU A 111 -17.148 15.565 1.137 1.00 0.00 C ATOM 1855 OE1 GLU A 111 -17.366 16.762 1.426 1.00 0.00 O ATOM 1856 OE2 GLU A 111 -17.857 14.913 0.341 1.00 0.00 O ATOM 0 H GLU A 111 -14.204 13.054 3.167 1.00 0.00 H new ATOM 0 HA GLU A 111 -14.759 15.684 4.071 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -16.508 13.359 3.199 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -17.142 14.950 3.571 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -15.112 15.547 1.791 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -15.685 14.006 1.185 1.00 0.00 H new ATOM 1863 N SER A 112 -15.654 13.175 6.011 1.00 0.00 N ATOM 1864 CA SER A 112 -16.082 12.825 7.359 1.00 0.00 C ATOM 1865 C SER A 112 -15.059 13.287 8.396 1.00 0.00 C ATOM 1866 O SER A 112 -15.357 13.347 9.589 1.00 0.00 O ATOM 1867 CB SER A 112 -16.293 11.314 7.473 1.00 0.00 C ATOM 1868 OG SER A 112 -17.419 11.016 8.280 1.00 0.00 O ATOM 0 H SER A 112 -15.430 12.375 5.419 1.00 0.00 H new ATOM 0 HA SER A 112 -17.026 13.334 7.556 1.00 0.00 H new ATOM 0 HB2 SER A 112 -16.430 10.887 6.480 1.00 0.00 H new ATOM 0 HB3 SER A 112 -15.403 10.850 7.899 1.00 0.00 H new ATOM 0 HG SER A 112 -17.533 10.044 8.336 1.00 0.00 H new ATOM 1874 N ARG A 113 -13.851 13.612 7.934 1.00 0.00 N ATOM 1875 CA ARG A 113 -12.779 14.067 8.818 1.00 0.00 C ATOM 1876 C ARG A 113 -12.181 12.901 9.595 1.00 0.00 C ATOM 1877 O ARG A 113 -11.741 13.059 10.733 1.00 0.00 O ATOM 1878 CB ARG A 113 -13.288 15.137 9.788 1.00 0.00 C ATOM 1879 CG ARG A 113 -14.138 16.208 9.124 1.00 0.00 C ATOM 1880 CD ARG A 113 -13.276 17.295 8.501 1.00 0.00 C ATOM 1881 NE ARG A 113 -13.060 18.415 9.413 1.00 0.00 N ATOM 1882 CZ ARG A 113 -12.277 19.455 9.138 1.00 0.00 C ATOM 1883 NH1 ARG A 113 -11.635 19.522 7.977 1.00 0.00 N ATOM 1884 NH2 ARG A 113 -12.135 20.433 10.023 1.00 0.00 N ATOM 0 H ARG A 113 -13.591 13.568 6.949 1.00 0.00 H new ATOM 0 HA ARG A 113 -12.000 14.504 8.194 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -13.873 14.656 10.572 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -12.435 15.611 10.272 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -14.764 15.753 8.356 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -14.808 16.651 9.861 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -12.314 16.873 8.212 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -13.752 17.657 7.590 1.00 0.00 H new ATOM 0 HE ARG A 113 -13.538 18.399 10.314 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -11.741 18.774 7.292 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -11.036 20.321 7.771 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -12.626 20.388 10.916 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -11.534 21.230 9.811 1.00 0.00 H new ATOM 1898 N GLN A 114 -12.163 11.729 8.969 1.00 0.00 N ATOM 1899 CA GLN A 114 -11.612 10.535 9.596 1.00 0.00 C ATOM 1900 C GLN A 114 -10.200 10.259 9.088 1.00 0.00 C ATOM 1901 O GLN A 114 -9.387 9.650 9.782 1.00 0.00 O ATOM 1902 CB GLN A 114 -12.511 9.327 9.322 1.00 0.00 C ATOM 1903 CG GLN A 114 -13.737 9.266 10.217 1.00 0.00 C ATOM 1904 CD GLN A 114 -14.970 8.773 9.485 1.00 0.00 C ATOM 1905 OE1 GLN A 114 -14.899 8.383 8.319 1.00 0.00 O ATOM 1906 NE2 GLN A 114 -16.110 8.785 10.168 1.00 0.00 N ATOM 0 H GLN A 114 -12.524 11.581 8.027 1.00 0.00 H new ATOM 0 HA GLN A 114 -11.566 10.707 10.671 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -12.832 9.353 8.281 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -11.929 8.415 9.454 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -13.533 8.608 11.062 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -13.934 10.257 10.625 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -16.123 9.117 11.133 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -16.972 8.463 9.728 1.00 0.00 H new ATOM 1915 N ALA A 115 -9.916 10.714 7.870 1.00 0.00 N ATOM 1916 CA ALA A 115 -8.604 10.518 7.267 1.00 0.00 C ATOM 1917 C ALA A 115 -7.507 11.147 8.124 1.00 0.00 C ATOM 1918 O ALA A 115 -7.721 11.443 9.299 1.00 0.00 O ATOM 1919 CB ALA A 115 -8.584 11.099 5.861 1.00 0.00 C ATOM 0 H ALA A 115 -10.578 11.221 7.283 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.409 9.447 7.208 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.599 10.948 5.419 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.337 10.600 5.250 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -8.802 12.166 5.905 1.00 0.00 H new ATOM 1925 N ARG A 116 -6.334 11.348 7.531 1.00 0.00 N ATOM 1926 CA ARG A 116 -5.209 11.939 8.246 1.00 0.00 C ATOM 1927 C ARG A 116 -4.468 12.951 7.372 1.00 0.00 C ATOM 1928 O ARG A 116 -3.570 12.585 6.615 1.00 0.00 O ATOM 1929 CB ARG A 116 -4.243 10.845 8.706 1.00 0.00 C ATOM 1930 CG ARG A 116 -3.524 11.173 10.004 1.00 0.00 C ATOM 1931 CD ARG A 116 -3.138 9.913 10.762 1.00 0.00 C ATOM 1932 NE ARG A 116 -1.711 9.874 11.070 1.00 0.00 N ATOM 1933 CZ ARG A 116 -1.048 8.762 11.385 1.00 0.00 C ATOM 1934 NH1 ARG A 116 -1.681 7.596 11.436 1.00 0.00 N ATOM 1935 NH2 ARG A 116 0.250 8.816 11.650 1.00 0.00 N ATOM 0 H ARG A 116 -6.138 11.110 6.559 1.00 0.00 H new ATOM 0 HA ARG A 116 -5.603 12.463 9.117 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -4.796 9.914 8.832 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -3.503 10.673 7.924 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -2.629 11.757 9.788 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -4.166 11.793 10.630 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -3.710 9.858 11.688 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -3.405 9.038 10.170 1.00 0.00 H new ATOM 0 HE ARG A 116 -1.191 10.751 11.042 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -2.680 7.549 11.233 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -1.169 6.748 11.678 1.00 0.00 H new ATOM 0 HH21 ARG A 116 0.741 9.709 11.613 1.00 0.00 H new ATOM 0 HH22 ARG A 116 0.757 7.964 11.891 1.00 0.00 H new ATOM 1949 N PRO A 117 -4.833 14.244 7.471 1.00 0.00 N ATOM 1950 CA PRO A 117 -4.191 15.309 6.691 1.00 0.00 C ATOM 1951 C PRO A 117 -2.670 15.270 6.812 1.00 0.00 C ATOM 1952 O PRO A 117 -2.091 15.903 7.695 1.00 0.00 O ATOM 1953 CB PRO A 117 -4.747 16.589 7.320 1.00 0.00 C ATOM 1954 CG PRO A 117 -6.061 16.185 7.893 1.00 0.00 C ATOM 1955 CD PRO A 117 -5.890 14.768 8.357 1.00 0.00 C ATOM 0 HA PRO A 117 -4.396 15.220 5.624 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -4.080 16.974 8.091 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -4.864 17.378 6.577 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -6.343 16.836 8.721 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -6.852 16.259 7.146 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -5.595 14.721 9.405 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -6.815 14.199 8.260 1.00 0.00 H new ATOM 1963 N THR A 118 -2.029 14.517 5.923 1.00 0.00 N ATOM 1964 CA THR A 118 -0.576 14.390 5.938 1.00 0.00 C ATOM 1965 C THR A 118 0.002 14.439 4.527 1.00 0.00 C ATOM 1966 O THR A 118 0.968 15.158 4.270 1.00 0.00 O ATOM 1967 CB THR A 118 -0.166 13.086 6.624 1.00 0.00 C ATOM 1968 OG1 THR A 118 1.244 12.988 6.710 1.00 0.00 O ATOM 1969 CG2 THR A 118 -0.668 11.851 5.908 1.00 0.00 C ATOM 0 H THR A 118 -2.492 13.987 5.185 1.00 0.00 H new ATOM 0 HA THR A 118 -0.174 15.234 6.498 1.00 0.00 H new ATOM 0 HB THR A 118 -0.621 13.124 7.614 1.00 0.00 H new ATOM 0 HG1 THR A 118 1.487 12.148 7.153 1.00 0.00 H new ATOM 0 HG21 THR A 118 -0.342 10.961 6.446 1.00 0.00 H new ATOM 0 HG22 THR A 118 -1.757 11.872 5.866 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.267 11.829 4.895 1.00 0.00 H new ATOM 1977 N TYR A 119 -0.585 13.670 3.614 1.00 0.00 N ATOM 1978 CA TYR A 119 -0.108 13.637 2.234 1.00 0.00 C ATOM 1979 C TYR A 119 -1.106 12.943 1.310 1.00 0.00 C ATOM 1980 O TYR A 119 -1.416 13.448 0.230 1.00 0.00 O ATOM 1981 CB TYR A 119 1.245 12.926 2.162 1.00 0.00 C ATOM 1982 CG TYR A 119 1.828 12.871 0.767 1.00 0.00 C ATOM 1983 CD1 TYR A 119 1.303 12.013 -0.194 1.00 0.00 C ATOM 1984 CD2 TYR A 119 2.901 13.676 0.409 1.00 0.00 C ATOM 1985 CE1 TYR A 119 1.832 11.960 -1.469 1.00 0.00 C ATOM 1986 CE2 TYR A 119 3.436 13.630 -0.865 1.00 0.00 C ATOM 1987 CZ TYR A 119 2.898 12.770 -1.798 1.00 0.00 C ATOM 1988 OH TYR A 119 3.427 12.720 -3.068 1.00 0.00 O ATOM 0 H TYR A 119 -1.385 13.066 3.802 1.00 0.00 H new ATOM 0 HA TYR A 119 0.002 14.668 1.897 1.00 0.00 H new ATOM 0 HB2 TYR A 119 1.949 13.435 2.821 1.00 0.00 H new ATOM 0 HB3 TYR A 119 1.132 11.910 2.540 1.00 0.00 H new ATOM 0 HD1 TYR A 119 0.468 11.378 0.061 1.00 0.00 H new ATOM 0 HD2 TYR A 119 3.325 14.350 1.139 1.00 0.00 H new ATOM 0 HE1 TYR A 119 1.413 11.288 -2.204 1.00 0.00 H new ATOM 0 HE2 TYR A 119 4.270 14.264 -1.127 1.00 0.00 H new ATOM 0 HH TYR A 119 4.172 13.353 -3.137 1.00 0.00 H new ATOM 1998 N ALA A 120 -1.595 11.781 1.729 1.00 0.00 N ATOM 1999 CA ALA A 120 -2.545 11.022 0.922 1.00 0.00 C ATOM 2000 C ALA A 120 -3.817 11.818 0.653 1.00 0.00 C ATOM 2001 O ALA A 120 -4.236 11.963 -0.496 1.00 0.00 O ATOM 2002 CB ALA A 120 -2.883 9.706 1.603 1.00 0.00 C ATOM 0 H ALA A 120 -1.351 11.345 2.618 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.072 10.817 -0.038 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.593 9.151 0.990 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.974 9.118 1.729 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.325 9.905 2.579 1.00 0.00 H new ATOM 2008 N THR A 121 -4.430 12.333 1.713 1.00 0.00 N ATOM 2009 CA THR A 121 -5.657 13.110 1.574 1.00 0.00 C ATOM 2010 C THR A 121 -5.393 14.403 0.811 1.00 0.00 C ATOM 2011 O THR A 121 -6.102 14.723 -0.142 1.00 0.00 O ATOM 2012 CB THR A 121 -6.259 13.410 2.946 1.00 0.00 C ATOM 2013 OG1 THR A 121 -5.333 14.102 3.764 1.00 0.00 O ATOM 2014 CG2 THR A 121 -6.690 12.164 3.688 1.00 0.00 C ATOM 0 H THR A 121 -4.100 12.228 2.673 1.00 0.00 H new ATOM 0 HA THR A 121 -6.374 12.518 1.005 1.00 0.00 H new ATOM 0 HB THR A 121 -7.139 14.023 2.750 1.00 0.00 H new ATOM 0 HG1 THR A 121 -5.633 15.027 3.887 1.00 0.00 H new ATOM 0 HG21 THR A 121 -7.109 12.443 4.655 1.00 0.00 H new ATOM 0 HG22 THR A 121 -7.444 11.636 3.105 1.00 0.00 H new ATOM 0 HG23 THR A 121 -5.828 11.515 3.840 1.00 0.00 H new ATOM 2022 N ALA A 122 -4.360 15.135 1.220 1.00 0.00 N ATOM 2023 CA ALA A 122 -4.003 16.381 0.548 1.00 0.00 C ATOM 2024 C ALA A 122 -3.773 16.120 -0.934 1.00 0.00 C ATOM 2025 O ALA A 122 -4.315 16.812 -1.801 1.00 0.00 O ATOM 2026 CB ALA A 122 -2.761 16.992 1.182 1.00 0.00 C ATOM 0 H ALA A 122 -3.760 14.890 2.007 1.00 0.00 H new ATOM 0 HA ALA A 122 -4.824 17.090 0.658 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -2.509 17.920 0.669 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -2.955 17.200 2.234 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -1.928 16.294 1.098 1.00 0.00 H new ATOM 2032 N MET A 123 -2.982 15.088 -1.212 1.00 0.00 N ATOM 2033 CA MET A 123 -2.686 14.693 -2.580 1.00 0.00 C ATOM 2034 C MET A 123 -3.979 14.378 -3.319 1.00 0.00 C ATOM 2035 O MET A 123 -4.088 14.599 -4.526 1.00 0.00 O ATOM 2036 CB MET A 123 -1.746 13.485 -2.585 1.00 0.00 C ATOM 2037 CG MET A 123 -1.230 13.115 -3.966 1.00 0.00 C ATOM 2038 SD MET A 123 -1.795 11.490 -4.504 1.00 0.00 S ATOM 2039 CE MET A 123 -3.543 11.623 -4.145 1.00 0.00 C ATOM 0 H MET A 123 -2.534 14.509 -0.502 1.00 0.00 H new ATOM 0 HA MET A 123 -2.188 15.516 -3.093 1.00 0.00 H new ATOM 0 HB2 MET A 123 -0.897 13.694 -1.934 1.00 0.00 H new ATOM 0 HB3 MET A 123 -2.269 12.628 -2.161 1.00 0.00 H new ATOM 0 HG2 MET A 123 -1.557 13.866 -4.685 1.00 0.00 H new ATOM 0 HG3 MET A 123 -0.140 13.133 -3.960 1.00 0.00 H new ATOM 0 HE1 MET A 123 -4.076 10.802 -4.625 1.00 0.00 H new ATOM 0 HE2 MET A 123 -3.698 11.575 -3.067 1.00 0.00 H new ATOM 0 HE3 MET A 123 -3.921 12.572 -4.524 1.00 0.00 H new ATOM 2049 N LEU A 124 -4.966 13.880 -2.579 1.00 0.00 N ATOM 2050 CA LEU A 124 -6.264 13.558 -3.154 1.00 0.00 C ATOM 2051 C LEU A 124 -6.958 14.832 -3.611 1.00 0.00 C ATOM 2052 O LEU A 124 -7.435 14.928 -4.744 1.00 0.00 O ATOM 2053 CB LEU A 124 -7.134 12.822 -2.131 1.00 0.00 C ATOM 2054 CG LEU A 124 -7.793 11.538 -2.643 1.00 0.00 C ATOM 2055 CD1 LEU A 124 -7.121 10.316 -2.037 1.00 0.00 C ATOM 2056 CD2 LEU A 124 -9.282 11.539 -2.331 1.00 0.00 C ATOM 0 H LEU A 124 -4.889 13.691 -1.580 1.00 0.00 H new ATOM 0 HA LEU A 124 -6.114 12.906 -4.014 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -6.520 12.576 -1.265 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -7.915 13.500 -1.786 1.00 0.00 H new ATOM 0 HG LEU A 124 -7.670 11.497 -3.725 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -7.602 9.413 -2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.066 10.307 -2.313 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -7.212 10.352 -0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -9.732 10.619 -2.703 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -9.428 11.605 -1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -9.754 12.395 -2.814 1.00 0.00 H new ATOM 2068 N GLN A 125 -6.994 15.819 -2.719 1.00 0.00 N ATOM 2069 CA GLN A 125 -7.611 17.104 -3.023 1.00 0.00 C ATOM 2070 C GLN A 125 -7.082 17.634 -4.348 1.00 0.00 C ATOM 2071 O GLN A 125 -7.834 18.165 -5.165 1.00 0.00 O ATOM 2072 CB GLN A 125 -7.331 18.110 -1.904 1.00 0.00 C ATOM 2073 CG GLN A 125 -7.911 17.700 -0.560 1.00 0.00 C ATOM 2074 CD GLN A 125 -9.426 17.626 -0.577 1.00 0.00 C ATOM 2075 OE1 GLN A 125 -10.074 18.143 -1.487 1.00 0.00 O ATOM 2076 NE2 GLN A 125 -9.998 16.983 0.433 1.00 0.00 N ATOM 0 H GLN A 125 -6.602 15.752 -1.780 1.00 0.00 H new ATOM 0 HA GLN A 125 -8.689 16.964 -3.101 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -6.253 18.237 -1.802 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -7.741 19.080 -2.187 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -7.507 16.729 -0.275 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -7.594 18.413 0.201 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -9.422 16.569 1.166 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -11.014 16.902 0.476 1.00 0.00 H new ATOM 2085 N ASN A 126 -5.781 17.463 -4.558 1.00 0.00 N ATOM 2086 CA ASN A 126 -5.150 17.902 -5.795 1.00 0.00 C ATOM 2087 C ASN A 126 -5.443 16.911 -6.913 1.00 0.00 C ATOM 2088 O ASN A 126 -5.583 17.292 -8.074 1.00 0.00 O ATOM 2089 CB ASN A 126 -3.639 18.052 -5.605 1.00 0.00 C ATOM 2090 CG ASN A 126 -3.282 19.203 -4.685 1.00 0.00 C ATOM 2091 OD1 ASN A 126 -3.382 20.371 -5.065 1.00 0.00 O ATOM 2092 ND2 ASN A 126 -2.864 18.881 -3.467 1.00 0.00 N ATOM 0 H ASN A 126 -5.146 17.025 -3.890 1.00 0.00 H new ATOM 0 HA ASN A 126 -5.561 18.874 -6.067 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -3.233 17.126 -5.198 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -3.167 18.207 -6.575 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -2.611 19.614 -2.804 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -2.796 17.901 -3.194 1.00 0.00 H new ATOM 2099 N LEU A 127 -5.555 15.638 -6.547 1.00 0.00 N ATOM 2100 CA LEU A 127 -5.854 14.592 -7.511 1.00 0.00 C ATOM 2101 C LEU A 127 -7.228 14.817 -8.136 1.00 0.00 C ATOM 2102 O LEU A 127 -7.545 14.252 -9.183 1.00 0.00 O ATOM 2103 CB LEU A 127 -5.810 13.220 -6.834 1.00 0.00 C ATOM 2104 CG LEU A 127 -5.162 12.105 -7.659 1.00 0.00 C ATOM 2105 CD1 LEU A 127 -3.726 11.874 -7.213 1.00 0.00 C ATOM 2106 CD2 LEU A 127 -5.969 10.819 -7.544 1.00 0.00 C ATOM 0 H LEU A 127 -5.443 15.309 -5.588 1.00 0.00 H new ATOM 0 HA LEU A 127 -5.101 14.625 -8.298 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -5.269 13.315 -5.893 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -6.829 12.922 -6.587 1.00 0.00 H new ATOM 0 HG LEU A 127 -5.151 12.414 -8.704 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -3.283 11.078 -7.811 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -3.152 12.791 -7.346 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -3.713 11.588 -6.161 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -5.494 10.037 -8.137 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -6.011 10.508 -6.500 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -6.980 10.990 -7.913 1.00 0.00 H new ATOM 2118 N LEU A 128 -8.044 15.646 -7.484 1.00 0.00 N ATOM 2119 CA LEU A 128 -9.383 15.941 -7.975 1.00 0.00 C ATOM 2120 C LEU A 128 -9.736 17.409 -7.755 1.00 0.00 C ATOM 2121 O LEU A 128 -10.569 17.740 -6.910 1.00 0.00 O ATOM 2122 CB LEU A 128 -10.407 15.049 -7.280 1.00 0.00 C ATOM 2123 CG LEU A 128 -10.316 15.047 -5.756 1.00 0.00 C ATOM 2124 CD1 LEU A 128 -11.606 15.568 -5.140 1.00 0.00 C ATOM 2125 CD2 LEU A 128 -9.994 13.654 -5.239 1.00 0.00 C ATOM 0 H LEU A 128 -7.798 16.123 -6.616 1.00 0.00 H new ATOM 0 HA LEU A 128 -9.402 15.741 -9.046 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -11.407 15.371 -7.571 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -10.284 14.028 -7.640 1.00 0.00 H new ATOM 0 HG LEU A 128 -9.506 15.714 -5.461 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -11.520 15.558 -4.053 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -11.786 16.588 -5.481 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -12.437 14.932 -5.444 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -9.934 13.675 -4.151 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -10.778 12.962 -5.546 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -9.039 13.325 -5.649 1.00 0.00 H new ATOM 2137 N LYS A 129 -9.096 18.286 -8.520 1.00 0.00 N ATOM 2138 CA LYS A 129 -9.342 19.720 -8.410 1.00 0.00 C ATOM 2139 C LYS A 129 -10.809 20.042 -8.683 1.00 0.00 C ATOM 2140 O LYS A 129 -11.511 20.449 -7.734 1.00 0.00 O ATOM 2141 CB LYS A 129 -8.451 20.489 -9.387 1.00 0.00 C ATOM 2142 CG LYS A 129 -6.966 20.349 -9.094 1.00 0.00 C ATOM 2143 CD LYS A 129 -6.608 20.938 -7.739 1.00 0.00 C ATOM 2144 CE LYS A 129 -5.159 21.395 -7.695 1.00 0.00 C ATOM 2145 NZ LYS A 129 -4.955 22.502 -6.720 1.00 0.00 N ATOM 2146 OXT LYS A 129 -11.243 19.884 -9.844 1.00 0.00 O ATOM 0 H LYS A 129 -8.403 18.030 -9.223 1.00 0.00 H new ATOM 0 HA LYS A 129 -9.103 20.027 -7.392 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -8.648 20.137 -10.400 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -8.721 21.545 -9.358 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -6.687 19.296 -9.119 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -6.391 20.850 -9.873 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -7.263 21.782 -7.523 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -6.780 20.194 -6.961 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -4.521 20.553 -7.427 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -4.852 21.724 -8.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -4.452 23.285 -7.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -5.878 22.838 -6.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -4.393 22.157 -5.916 1.00 0.00 H new TER 2160 LYS A 129