USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 813 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 33 THR OG1 : rot 180:sc= -0.0118 USER MOD Set 1.2: A 98 MET CE :methyl 149:sc= -0.0484 (180deg=-0.901) USER MOD Set 2.1: A 97 GLN : amide:sc= -0.699 K(o=-1.4,f=-5.6) USER MOD Set 2.2: A 99 GLN : amide:sc= -0.691 K(o=-1.4,f=-4.8!) USER MOD Set 3.1: A 60 LYS NZ :NH3+ 158:sc= 0.0626 (180deg=0) USER MOD Set 3.2: A 61 THR OG1 : rot 80:sc= -0.0211 USER MOD Single : A 9 GLN : amide:sc= -1.05 K(o=-1.1,f=0) USER MOD Single : A 17 SER OG : rot -48:sc= 0.582 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -164:sc= -1.03 (180deg=-1.32) USER MOD Single : A 42 CYS SG : rot -87:sc= 0.542 USER MOD Single : A 49 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-2.5) USER MOD Single : A 51 THR OG1 : rot 132:sc= 0.00893 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -2.06 K(o=-2.1,f=-4.3!) USER MOD Single : A 65 THR OG1 : rot 73:sc= 1.25 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 69:sc= 0.0616 USER MOD Single : A 71 GLN : amide:sc= -0.614 K(o=-0.61,f=-0.052) USER MOD Single : A 72 GLN : amide:sc= 0.196 X(o=0.2,f=0) USER MOD Single : A 80 GLN : amide:sc= -0.923 K(o=-0.92,f=-5.6!) USER MOD Single : A 84 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 88 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 92 TYR OH : rot 2:sc= 0.874 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.0883 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 96 GLN : amide:sc= -0.725 K(o=-0.72,f=-3.2) USER MOD Single : A 100 GLN : amide:sc= -0.993 X(o=-0.99,f=-0.94) USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 ASN : amide:sc= -0.782 K(o=-0.78,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 9 -26.697 12.040 -11.863 1.00 7.00 N ATOM 2 CA GLN A 9 -25.633 12.497 -10.976 1.00 7.21 C ATOM 3 C GLN A 9 -24.275 11.996 -11.455 1.00 6.98 C ATOM 4 O GLN A 9 -23.246 12.618 -11.191 1.00 7.29 O ATOM 5 CB GLN A 9 -25.891 12.017 -9.546 1.00 7.46 C ATOM 6 CG GLN A 9 -27.199 12.527 -8.961 1.00 7.40 C ATOM 7 CD GLN A 9 -27.432 12.045 -7.540 1.00 7.57 C ATOM 8 OE1 GLN A 9 -28.058 12.734 -6.735 1.00 8.02 O ATOM 9 NE2 GLN A 9 -26.932 10.855 -7.225 1.00 7.46 N ATOM 0 HA GLN A 9 -25.625 13.587 -10.990 1.00 7.21 H new ATOM 0 HB2 GLN A 9 -25.897 10.927 -9.533 1.00 7.46 H new ATOM 0 HB3 GLN A 9 -25.067 12.339 -8.909 1.00 7.46 H new ATOM 0 HG2 GLN A 9 -27.198 13.617 -8.975 1.00 7.40 H new ATOM 0 HG3 GLN A 9 -28.026 12.201 -9.591 1.00 7.40 H new ATOM 0 HE21 GLN A 9 -26.419 10.316 -7.923 1.00 7.46 H new ATOM 0 HE22 GLN A 9 -27.061 10.480 -6.285 1.00 7.46 H new ATOM 18 N ARG A 10 -24.282 10.865 -12.158 1.00 6.71 N ATOM 19 CA ARG A 10 -23.053 10.273 -12.679 1.00 6.78 C ATOM 20 C ARG A 10 -22.068 9.969 -11.553 1.00 6.34 C ATOM 21 O ARG A 10 -20.873 9.801 -11.790 1.00 6.64 O ATOM 22 CB ARG A 10 -22.403 11.207 -13.704 1.00 7.66 C ATOM 23 CG ARG A 10 -23.290 11.508 -14.901 1.00 7.90 C ATOM 24 CD ARG A 10 -22.608 12.452 -15.877 1.00 8.77 C ATOM 25 NE ARG A 10 -22.285 13.737 -15.259 1.00 9.23 N ATOM 26 CZ ARG A 10 -21.638 14.715 -15.886 1.00 10.13 C ATOM 27 NH1 ARG A 10 -21.247 14.558 -17.143 1.00 10.64 N ATOM 28 NH2 ARG A 10 -21.384 15.853 -15.255 1.00 10.69 N ATOM 0 H ARG A 10 -25.128 10.340 -12.380 1.00 6.71 H new ATOM 0 HA ARG A 10 -23.315 9.335 -13.168 1.00 6.78 H new ATOM 0 HB2 ARG A 10 -22.139 12.144 -13.213 1.00 7.66 H new ATOM 0 HB3 ARG A 10 -21.474 10.758 -14.055 1.00 7.66 H new ATOM 0 HG2 ARG A 10 -23.544 10.578 -15.410 1.00 7.90 H new ATOM 0 HG3 ARG A 10 -24.226 11.950 -14.559 1.00 7.90 H new ATOM 0 HD2 ARG A 10 -21.695 11.989 -16.251 1.00 8.77 H new ATOM 0 HD3 ARG A 10 -23.257 12.616 -16.737 1.00 8.77 H new ATOM 0 HE ARG A 10 -22.572 13.892 -14.293 1.00 9.23 H new ATOM 0 HH11 ARG A 10 -21.442 13.685 -17.633 1.00 10.64 H new ATOM 0 HH12 ARG A 10 -20.751 15.311 -17.621 1.00 10.64 H new ATOM 0 HH21 ARG A 10 -21.685 15.978 -14.288 1.00 10.69 H new ATOM 0 HH22 ARG A 10 -20.888 16.603 -15.736 1.00 10.69 H new ATOM 42 N ARG A 11 -22.581 9.893 -10.329 1.00 5.84 N ATOM 43 CA ARG A 11 -21.747 9.608 -9.167 1.00 5.60 C ATOM 44 C ARG A 11 -21.588 8.106 -8.966 1.00 5.02 C ATOM 45 O ARG A 11 -22.567 7.358 -8.995 1.00 4.82 O ATOM 46 CB ARG A 11 -22.348 10.242 -7.910 1.00 5.75 C ATOM 47 CG ARG A 11 -21.515 10.022 -6.656 1.00 5.86 C ATOM 48 CD ARG A 11 -20.154 10.690 -6.763 1.00 6.54 C ATOM 49 NE ARG A 11 -19.346 10.483 -5.565 1.00 6.72 N ATOM 50 CZ ARG A 11 -18.072 10.850 -5.461 1.00 7.51 C ATOM 51 NH1 ARG A 11 -17.463 11.440 -6.480 1.00 8.17 N ATOM 52 NH2 ARG A 11 -17.406 10.627 -4.336 1.00 7.81 N ATOM 0 H ARG A 11 -23.570 10.025 -10.116 1.00 5.84 H new ATOM 0 HA ARG A 11 -20.762 10.039 -9.346 1.00 5.60 H new ATOM 0 HB2 ARG A 11 -22.465 11.313 -8.074 1.00 5.75 H new ATOM 0 HB3 ARG A 11 -23.346 9.833 -7.749 1.00 5.75 H new ATOM 0 HG2 ARG A 11 -22.048 10.417 -5.791 1.00 5.86 H new ATOM 0 HG3 ARG A 11 -21.384 8.953 -6.489 1.00 5.86 H new ATOM 0 HD2 ARG A 11 -19.624 10.296 -7.630 1.00 6.54 H new ATOM 0 HD3 ARG A 11 -20.287 11.759 -6.930 1.00 6.54 H new ATOM 0 HE ARG A 11 -19.783 10.031 -4.762 1.00 6.72 H new ATOM 0 HH11 ARG A 11 -17.972 11.614 -7.347 1.00 8.17 H new ATOM 0 HH12 ARG A 11 -16.486 11.720 -6.397 1.00 8.17 H new ATOM 0 HH21 ARG A 11 -17.871 10.174 -3.549 1.00 7.81 H new ATOM 0 HH22 ARG A 11 -16.429 10.909 -4.257 1.00 7.81 H new ATOM 66 N ILE A 12 -20.349 7.669 -8.764 1.00 5.07 N ATOM 67 CA ILE A 12 -20.059 6.257 -8.553 1.00 4.86 C ATOM 68 C ILE A 12 -19.746 5.975 -7.087 1.00 4.50 C ATOM 69 O ILE A 12 -19.136 6.799 -6.404 1.00 4.89 O ATOM 70 CB ILE A 12 -18.878 5.789 -9.428 1.00 5.47 C ATOM 71 CG1 ILE A 12 -18.606 4.298 -9.208 1.00 5.85 C ATOM 72 CG2 ILE A 12 -17.636 6.614 -9.122 1.00 5.84 C ATOM 73 CD1 ILE A 12 -17.565 3.724 -10.147 1.00 6.48 C ATOM 0 H ILE A 12 -19.529 8.275 -8.742 1.00 5.07 H new ATOM 0 HA ILE A 12 -20.951 5.701 -8.841 1.00 4.86 H new ATOM 0 HB ILE A 12 -19.140 5.936 -10.476 1.00 5.47 H new ATOM 0 HG12 ILE A 12 -18.278 4.145 -8.180 1.00 5.85 H new ATOM 0 HG13 ILE A 12 -19.538 3.746 -9.331 1.00 5.85 H new ATOM 0 HG21 ILE A 12 -16.810 6.273 -9.746 1.00 5.84 H new ATOM 0 HG22 ILE A 12 -17.837 7.665 -9.328 1.00 5.84 H new ATOM 0 HG23 ILE A 12 -17.370 6.495 -8.072 1.00 5.84 H new ATOM 0 HD11 ILE A 12 -17.426 2.665 -9.932 1.00 6.48 H new ATOM 0 HD12 ILE A 12 -17.899 3.844 -11.178 1.00 6.48 H new ATOM 0 HD13 ILE A 12 -16.620 4.250 -10.008 1.00 6.48 H new ATOM 85 N ARG A 13 -20.169 4.808 -6.610 1.00 4.15 N ATOM 86 CA ARG A 13 -19.935 4.419 -5.225 1.00 4.11 C ATOM 87 C ARG A 13 -18.525 3.863 -5.043 1.00 3.66 C ATOM 88 O ARG A 13 -18.265 2.695 -5.336 1.00 3.92 O ATOM 89 CB ARG A 13 -20.968 3.379 -4.782 1.00 4.88 C ATOM 90 CG ARG A 13 -20.825 2.956 -3.327 1.00 4.88 C ATOM 91 CD ARG A 13 -21.857 1.908 -2.945 1.00 5.78 C ATOM 92 NE ARG A 13 -23.224 2.398 -3.111 1.00 6.11 N ATOM 93 CZ ARG A 13 -24.309 1.658 -2.884 1.00 7.14 C ATOM 94 NH1 ARG A 13 -24.189 0.399 -2.485 1.00 7.85 N ATOM 95 NH2 ARG A 13 -25.515 2.179 -3.059 1.00 7.67 N ATOM 0 H ARG A 13 -20.675 4.116 -7.163 1.00 4.15 H new ATOM 0 HA ARG A 13 -20.036 5.309 -4.604 1.00 4.11 H new ATOM 0 HB2 ARG A 13 -21.968 3.784 -4.937 1.00 4.88 H new ATOM 0 HB3 ARG A 13 -20.879 2.498 -5.418 1.00 4.88 H new ATOM 0 HG2 ARG A 13 -19.824 2.559 -3.160 1.00 4.88 H new ATOM 0 HG3 ARG A 13 -20.935 3.828 -2.682 1.00 4.88 H new ATOM 0 HD2 ARG A 13 -21.714 1.018 -3.558 1.00 5.78 H new ATOM 0 HD3 ARG A 13 -21.703 1.609 -1.908 1.00 5.78 H new ATOM 0 HE ARG A 13 -23.355 3.362 -3.418 1.00 6.11 H new ATOM 0 HH11 ARG A 13 -23.263 -0.007 -2.350 1.00 7.85 H new ATOM 0 HH12 ARG A 13 -25.023 -0.163 -2.313 1.00 7.85 H new ATOM 0 HH21 ARG A 13 -25.613 3.146 -3.367 1.00 7.67 H new ATOM 0 HH22 ARG A 13 -26.345 1.613 -2.885 1.00 7.67 H new ATOM 109 N ARG A 14 -17.618 4.712 -4.563 1.00 3.32 N ATOM 110 CA ARG A 14 -16.231 4.317 -4.337 1.00 3.13 C ATOM 111 C ARG A 14 -15.612 3.721 -5.602 1.00 2.36 C ATOM 112 O ARG A 14 -15.616 2.504 -5.787 1.00 2.85 O ATOM 113 CB ARG A 14 -16.142 3.307 -3.187 1.00 4.06 C ATOM 114 CG ARG A 14 -16.355 3.920 -1.809 1.00 4.84 C ATOM 115 CD ARG A 14 -17.800 4.341 -1.592 1.00 5.79 C ATOM 116 NE ARG A 14 -18.011 4.913 -0.265 1.00 6.71 N ATOM 117 CZ ARG A 14 -19.176 5.392 0.159 1.00 7.74 C ATOM 118 NH1 ARG A 14 -20.236 5.373 -0.639 1.00 8.06 N ATOM 119 NH2 ARG A 14 -19.284 5.894 1.381 1.00 8.66 N ATOM 0 H ARG A 14 -17.821 5.682 -4.322 1.00 3.32 H new ATOM 0 HA ARG A 14 -15.670 5.213 -4.070 1.00 3.13 H new ATOM 0 HB2 ARG A 14 -16.885 2.525 -3.345 1.00 4.06 H new ATOM 0 HB3 ARG A 14 -15.164 2.827 -3.213 1.00 4.06 H new ATOM 0 HG2 ARG A 14 -16.068 3.200 -1.043 1.00 4.84 H new ATOM 0 HG3 ARG A 14 -15.703 4.786 -1.692 1.00 4.84 H new ATOM 0 HD2 ARG A 14 -18.082 5.071 -2.350 1.00 5.79 H new ATOM 0 HD3 ARG A 14 -18.452 3.478 -1.722 1.00 5.79 H new ATOM 0 HE ARG A 14 -17.217 4.947 0.374 1.00 6.71 H new ATOM 0 HH11 ARG A 14 -20.158 4.990 -1.581 1.00 8.06 H new ATOM 0 HH12 ARG A 14 -21.129 5.741 -0.310 1.00 8.06 H new ATOM 0 HH21 ARG A 14 -18.472 5.913 1.998 1.00 8.66 H new ATOM 0 HH22 ARG A 14 -20.179 6.261 1.704 1.00 8.66 H new ATOM 133 N PRO A 15 -15.079 4.574 -6.498 1.00 1.72 N ATOM 134 CA PRO A 15 -14.455 4.119 -7.744 1.00 1.77 C ATOM 135 C PRO A 15 -13.073 3.519 -7.515 1.00 1.50 C ATOM 136 O PRO A 15 -12.707 2.522 -8.135 1.00 1.60 O ATOM 137 CB PRO A 15 -14.349 5.399 -8.570 1.00 2.29 C ATOM 138 CG PRO A 15 -14.241 6.491 -7.563 1.00 2.37 C ATOM 139 CD PRO A 15 -15.049 6.046 -6.371 1.00 2.06 C ATOM 0 HA PRO A 15 -15.031 3.329 -8.225 1.00 1.77 H new ATOM 0 HB2 PRO A 15 -13.478 5.377 -9.225 1.00 2.29 H new ATOM 0 HB3 PRO A 15 -15.223 5.533 -9.207 1.00 2.29 H new ATOM 0 HG2 PRO A 15 -13.201 6.663 -7.286 1.00 2.37 H new ATOM 0 HG3 PRO A 15 -14.624 7.430 -7.964 1.00 2.37 H new ATOM 0 HD2 PRO A 15 -14.586 6.358 -5.435 1.00 2.06 H new ATOM 0 HD3 PRO A 15 -16.053 6.470 -6.387 1.00 2.06 H new ATOM 147 N PHE A 16 -12.309 4.135 -6.616 1.00 1.28 N ATOM 148 CA PHE A 16 -10.964 3.664 -6.305 1.00 1.02 C ATOM 149 C PHE A 16 -10.993 2.579 -5.234 1.00 0.94 C ATOM 150 O PHE A 16 -11.974 2.438 -4.503 1.00 1.14 O ATOM 151 CB PHE A 16 -10.088 4.830 -5.841 1.00 0.98 C ATOM 152 CG PHE A 16 -9.703 5.770 -6.946 1.00 1.05 C ATOM 153 CD1 PHE A 16 -10.525 6.829 -7.294 1.00 1.32 C ATOM 154 CD2 PHE A 16 -8.516 5.592 -7.640 1.00 0.92 C ATOM 155 CE1 PHE A 16 -10.172 7.693 -8.311 1.00 1.42 C ATOM 156 CE2 PHE A 16 -8.157 6.454 -8.659 1.00 1.05 C ATOM 157 CZ PHE A 16 -8.987 7.506 -8.995 1.00 1.29 C ATOM 0 H PHE A 16 -12.599 4.960 -6.091 1.00 1.28 H new ATOM 0 HA PHE A 16 -10.541 3.236 -7.214 1.00 1.02 H new ATOM 0 HB2 PHE A 16 -10.619 5.388 -5.070 1.00 0.98 H new ATOM 0 HB3 PHE A 16 -9.183 4.433 -5.381 1.00 0.98 H new ATOM 0 HD1 PHE A 16 -11.453 6.981 -6.763 1.00 1.32 H new ATOM 0 HD2 PHE A 16 -7.864 4.770 -7.381 1.00 0.92 H new ATOM 0 HE1 PHE A 16 -10.822 8.515 -8.572 1.00 1.42 H new ATOM 0 HE2 PHE A 16 -7.229 6.305 -9.192 1.00 1.05 H new ATOM 0 HZ PHE A 16 -8.710 8.181 -9.791 1.00 1.29 H new ATOM 167 N SER A 17 -9.908 1.817 -5.151 1.00 0.74 N ATOM 168 CA SER A 17 -9.794 0.741 -4.174 1.00 0.68 C ATOM 169 C SER A 17 -8.351 0.257 -4.080 1.00 0.58 C ATOM 170 O SER A 17 -7.464 0.807 -4.731 1.00 0.56 O ATOM 171 CB SER A 17 -10.713 -0.423 -4.551 1.00 0.75 C ATOM 172 OG SER A 17 -10.376 -0.946 -5.824 1.00 1.54 O ATOM 0 H SER A 17 -9.091 1.926 -5.752 1.00 0.74 H new ATOM 0 HA SER A 17 -10.098 1.128 -3.201 1.00 0.68 H new ATOM 0 HB2 SER A 17 -10.637 -1.209 -3.800 1.00 0.75 H new ATOM 0 HB3 SER A 17 -11.749 -0.086 -4.556 1.00 0.75 H new ATOM 0 HG SER A 17 -10.285 -0.211 -6.466 1.00 1.54 H new ATOM 178 N VAL A 18 -8.124 -0.774 -3.269 1.00 0.58 N ATOM 179 CA VAL A 18 -6.786 -1.329 -3.094 1.00 0.53 C ATOM 180 C VAL A 18 -6.150 -1.653 -4.446 1.00 0.49 C ATOM 181 O VAL A 18 -4.933 -1.547 -4.615 1.00 0.46 O ATOM 182 CB VAL A 18 -6.814 -2.597 -2.218 1.00 0.59 C ATOM 183 CG1 VAL A 18 -7.675 -3.676 -2.858 1.00 0.65 C ATOM 184 CG2 VAL A 18 -5.403 -3.111 -1.966 1.00 0.60 C ATOM 0 H VAL A 18 -8.849 -1.241 -2.724 1.00 0.58 H new ATOM 0 HA VAL A 18 -6.185 -0.572 -2.590 1.00 0.53 H new ATOM 0 HB VAL A 18 -7.256 -2.335 -1.257 1.00 0.59 H new ATOM 0 HG11 VAL A 18 -7.680 -4.562 -2.223 1.00 0.65 H new ATOM 0 HG12 VAL A 18 -8.694 -3.307 -2.975 1.00 0.65 H new ATOM 0 HG13 VAL A 18 -7.268 -3.934 -3.836 1.00 0.65 H new ATOM 0 HG21 VAL A 18 -5.447 -4.006 -1.346 1.00 0.60 H new ATOM 0 HG22 VAL A 18 -4.928 -3.352 -2.917 1.00 0.60 H new ATOM 0 HG23 VAL A 18 -4.822 -2.344 -1.454 1.00 0.60 H new ATOM 194 N ALA A 19 -6.985 -2.042 -5.407 1.00 0.54 N ATOM 195 CA ALA A 19 -6.510 -2.372 -6.744 1.00 0.56 C ATOM 196 C ALA A 19 -5.775 -1.187 -7.356 1.00 0.50 C ATOM 197 O ALA A 19 -4.657 -1.325 -7.854 1.00 0.54 O ATOM 198 CB ALA A 19 -7.675 -2.786 -7.629 1.00 0.63 C ATOM 0 H ALA A 19 -7.993 -2.136 -5.283 1.00 0.54 H new ATOM 0 HA ALA A 19 -5.814 -3.208 -6.669 1.00 0.56 H new ATOM 0 HB1 ALA A 19 -7.306 -3.030 -8.625 1.00 0.63 H new ATOM 0 HB2 ALA A 19 -8.166 -3.660 -7.200 1.00 0.63 H new ATOM 0 HB3 ALA A 19 -8.389 -1.966 -7.697 1.00 0.63 H new ATOM 204 N GLU A 20 -6.414 -0.024 -7.317 1.00 0.44 N ATOM 205 CA GLU A 20 -5.822 1.195 -7.853 1.00 0.40 C ATOM 206 C GLU A 20 -4.581 1.574 -7.053 1.00 0.40 C ATOM 207 O GLU A 20 -3.602 2.083 -7.605 1.00 0.39 O ATOM 208 CB GLU A 20 -6.837 2.342 -7.823 1.00 0.40 C ATOM 209 CG GLU A 20 -7.946 2.205 -8.855 1.00 1.02 C ATOM 210 CD GLU A 20 -8.803 0.974 -8.639 1.00 1.57 C ATOM 211 OE1 GLU A 20 -9.774 1.056 -7.859 1.00 1.95 O ATOM 212 OE2 GLU A 20 -8.503 -0.074 -9.250 1.00 2.03 O ATOM 0 H GLU A 20 -7.345 0.100 -6.919 1.00 0.44 H new ATOM 0 HA GLU A 20 -5.533 1.012 -8.888 1.00 0.40 H new ATOM 0 HB2 GLU A 20 -7.282 2.395 -6.829 1.00 0.40 H new ATOM 0 HB3 GLU A 20 -6.313 3.283 -7.989 1.00 0.40 H new ATOM 0 HG2 GLU A 20 -8.578 3.092 -8.822 1.00 1.02 H new ATOM 0 HG3 GLU A 20 -7.506 2.165 -9.851 1.00 1.02 H new ATOM 219 N VAL A 21 -4.632 1.321 -5.748 1.00 0.42 N ATOM 220 CA VAL A 21 -3.510 1.621 -4.868 1.00 0.45 C ATOM 221 C VAL A 21 -2.246 0.928 -5.360 1.00 0.44 C ATOM 222 O VAL A 21 -1.145 1.456 -5.215 1.00 0.48 O ATOM 223 CB VAL A 21 -3.795 1.189 -3.415 1.00 0.54 C ATOM 224 CG1 VAL A 21 -2.600 1.483 -2.520 1.00 0.81 C ATOM 225 CG2 VAL A 21 -5.043 1.881 -2.889 1.00 1.10 C ATOM 0 H VAL A 21 -5.438 0.909 -5.278 1.00 0.42 H new ATOM 0 HA VAL A 21 -3.367 2.701 -4.885 1.00 0.45 H new ATOM 0 HB VAL A 21 -3.968 0.113 -3.406 1.00 0.54 H new ATOM 0 HG11 VAL A 21 -2.824 1.170 -1.500 1.00 0.81 H new ATOM 0 HG12 VAL A 21 -1.730 0.937 -2.884 1.00 0.81 H new ATOM 0 HG13 VAL A 21 -2.390 2.552 -2.534 1.00 0.81 H new ATOM 0 HG21 VAL A 21 -5.229 1.565 -1.863 1.00 1.10 H new ATOM 0 HG22 VAL A 21 -4.899 2.961 -2.915 1.00 1.10 H new ATOM 0 HG23 VAL A 21 -5.897 1.614 -3.512 1.00 1.10 H new ATOM 235 N GLU A 22 -2.415 -0.258 -5.945 1.00 0.42 N ATOM 236 CA GLU A 22 -1.285 -1.020 -6.472 1.00 0.45 C ATOM 237 C GLU A 22 -0.428 -0.135 -7.372 1.00 0.42 C ATOM 238 O GLU A 22 0.782 -0.018 -7.177 1.00 0.44 O ATOM 239 CB GLU A 22 -1.786 -2.241 -7.250 1.00 0.50 C ATOM 240 CG GLU A 22 -0.703 -3.269 -7.550 1.00 0.98 C ATOM 241 CD GLU A 22 0.274 -2.805 -8.613 1.00 1.57 C ATOM 242 OE1 GLU A 22 -0.086 -2.845 -9.809 1.00 1.74 O ATOM 243 OE2 GLU A 22 1.400 -2.402 -8.250 1.00 2.29 O ATOM 0 H GLU A 22 -3.321 -0.710 -6.065 1.00 0.42 H new ATOM 0 HA GLU A 22 -0.675 -1.365 -5.637 1.00 0.45 H new ATOM 0 HB2 GLU A 22 -2.581 -2.721 -6.680 1.00 0.50 H new ATOM 0 HB3 GLU A 22 -2.225 -1.906 -8.190 1.00 0.50 H new ATOM 0 HG2 GLU A 22 -0.156 -3.491 -6.634 1.00 0.98 H new ATOM 0 HG3 GLU A 22 -1.171 -4.198 -7.875 1.00 0.98 H new ATOM 250 N ALA A 23 -1.066 0.487 -8.359 1.00 0.42 N ATOM 251 CA ALA A 23 -0.362 1.376 -9.274 1.00 0.43 C ATOM 252 C ALA A 23 0.261 2.531 -8.502 1.00 0.42 C ATOM 253 O ALA A 23 1.408 2.915 -8.746 1.00 0.45 O ATOM 254 CB ALA A 23 -1.311 1.899 -10.340 1.00 0.42 C ATOM 0 H ALA A 23 -2.065 0.392 -8.544 1.00 0.42 H new ATOM 0 HA ALA A 23 0.432 0.816 -9.767 1.00 0.43 H new ATOM 0 HB1 ALA A 23 -0.770 2.562 -11.016 1.00 0.42 H new ATOM 0 HB2 ALA A 23 -1.721 1.062 -10.904 1.00 0.42 H new ATOM 0 HB3 ALA A 23 -2.123 2.449 -9.866 1.00 0.42 H new ATOM 260 N LEU A 24 -0.505 3.074 -7.560 1.00 0.41 N ATOM 261 CA LEU A 24 -0.032 4.177 -6.733 1.00 0.43 C ATOM 262 C LEU A 24 1.221 3.764 -5.971 1.00 0.44 C ATOM 263 O LEU A 24 2.057 4.600 -5.629 1.00 0.37 O ATOM 264 CB LEU A 24 -1.125 4.619 -5.757 1.00 0.46 C ATOM 265 CG LEU A 24 -0.782 5.842 -4.903 1.00 0.54 C ATOM 266 CD1 LEU A 24 -0.577 7.068 -5.780 1.00 0.63 C ATOM 267 CD2 LEU A 24 -1.875 6.097 -3.876 1.00 0.61 C ATOM 0 H LEU A 24 -1.455 2.768 -7.351 1.00 0.41 H new ATOM 0 HA LEU A 24 0.214 5.018 -7.382 1.00 0.43 H new ATOM 0 HB2 LEU A 24 -2.030 4.835 -6.324 1.00 0.46 H new ATOM 0 HB3 LEU A 24 -1.355 3.786 -5.093 1.00 0.46 H new ATOM 0 HG LEU A 24 0.149 5.641 -4.373 1.00 0.54 H new ATOM 0 HD11 LEU A 24 -0.334 7.927 -5.154 1.00 0.63 H new ATOM 0 HD12 LEU A 24 0.241 6.884 -6.477 1.00 0.63 H new ATOM 0 HD13 LEU A 24 -1.490 7.273 -6.338 1.00 0.63 H new ATOM 0 HD21 LEU A 24 -1.615 6.970 -3.277 1.00 0.61 H new ATOM 0 HD22 LEU A 24 -2.821 6.276 -4.388 1.00 0.61 H new ATOM 0 HD23 LEU A 24 -1.974 5.228 -3.226 1.00 0.61 H new ATOM 279 N VAL A 25 1.341 2.465 -5.708 1.00 0.65 N ATOM 280 CA VAL A 25 2.495 1.930 -4.998 1.00 0.72 C ATOM 281 C VAL A 25 3.721 1.928 -5.901 1.00 0.69 C ATOM 282 O VAL A 25 4.820 2.282 -5.473 1.00 0.67 O ATOM 283 CB VAL A 25 2.231 0.497 -4.486 1.00 0.97 C ATOM 284 CG1 VAL A 25 3.526 -0.170 -4.046 1.00 2.08 C ATOM 285 CG2 VAL A 25 1.226 0.517 -3.346 1.00 0.38 C ATOM 0 H VAL A 25 0.651 1.764 -5.977 1.00 0.65 H new ATOM 0 HA VAL A 25 2.676 2.575 -4.138 1.00 0.72 H new ATOM 0 HB VAL A 25 1.813 -0.086 -5.307 1.00 0.97 H new ATOM 0 HG11 VAL A 25 3.313 -1.178 -3.690 1.00 2.08 H new ATOM 0 HG12 VAL A 25 4.214 -0.221 -4.890 1.00 2.08 H new ATOM 0 HG13 VAL A 25 3.980 0.411 -3.243 1.00 2.08 H new ATOM 0 HG21 VAL A 25 1.051 -0.501 -2.997 1.00 0.38 H new ATOM 0 HG22 VAL A 25 1.617 1.120 -2.526 1.00 0.38 H new ATOM 0 HG23 VAL A 25 0.287 0.947 -3.696 1.00 0.38 H new ATOM 295 N GLN A 26 3.525 1.525 -7.151 1.00 0.74 N ATOM 296 CA GLN A 26 4.614 1.482 -8.119 1.00 0.80 C ATOM 297 C GLN A 26 5.134 2.889 -8.403 1.00 0.70 C ATOM 298 O GLN A 26 6.263 3.068 -8.861 1.00 0.77 O ATOM 299 CB GLN A 26 4.144 0.825 -9.419 1.00 0.91 C ATOM 300 CG GLN A 26 5.245 0.661 -10.455 1.00 1.03 C ATOM 301 CD GLN A 26 4.752 0.009 -11.732 1.00 1.59 C ATOM 302 OE1 GLN A 26 4.778 -1.213 -11.868 1.00 2.06 O ATOM 303 NE2 GLN A 26 4.302 0.826 -12.678 1.00 2.43 N ATOM 0 H GLN A 26 2.622 1.223 -7.518 1.00 0.74 H new ATOM 0 HA GLN A 26 5.425 0.889 -7.697 1.00 0.80 H new ATOM 0 HB2 GLN A 26 3.725 -0.155 -9.189 1.00 0.91 H new ATOM 0 HB3 GLN A 26 3.340 1.423 -9.848 1.00 0.91 H new ATOM 0 HG2 GLN A 26 5.666 1.638 -10.690 1.00 1.03 H new ATOM 0 HG3 GLN A 26 6.050 0.060 -10.032 1.00 1.03 H new ATOM 0 HE21 GLN A 26 4.299 1.834 -12.522 1.00 2.43 H new ATOM 0 HE22 GLN A 26 3.960 0.445 -13.560 1.00 2.43 H new ATOM 312 N ALA A 27 4.297 3.884 -8.130 1.00 0.56 N ATOM 313 CA ALA A 27 4.663 5.278 -8.352 1.00 0.51 C ATOM 314 C ALA A 27 5.378 5.885 -7.143 1.00 0.46 C ATOM 315 O ALA A 27 6.280 6.707 -7.299 1.00 0.49 O ATOM 316 CB ALA A 27 3.425 6.095 -8.693 1.00 0.45 C ATOM 0 H ALA A 27 3.358 3.750 -7.754 1.00 0.56 H new ATOM 0 HA ALA A 27 5.360 5.304 -9.190 1.00 0.51 H new ATOM 0 HB1 ALA A 27 3.709 7.135 -8.857 1.00 0.45 H new ATOM 0 HB2 ALA A 27 2.965 5.698 -9.598 1.00 0.45 H new ATOM 0 HB3 ALA A 27 2.714 6.039 -7.869 1.00 0.45 H new ATOM 322 N VAL A 28 4.968 5.486 -5.942 1.00 0.41 N ATOM 323 CA VAL A 28 5.562 6.015 -4.714 1.00 0.37 C ATOM 324 C VAL A 28 6.817 5.251 -4.292 1.00 0.39 C ATOM 325 O VAL A 28 7.614 5.753 -3.502 1.00 0.37 O ATOM 326 CB VAL A 28 4.555 5.995 -3.548 1.00 0.37 C ATOM 327 CG1 VAL A 28 3.343 6.855 -3.872 1.00 0.39 C ATOM 328 CG2 VAL A 28 4.137 4.568 -3.225 1.00 0.44 C ATOM 0 H VAL A 28 4.229 4.800 -5.791 1.00 0.41 H new ATOM 0 HA VAL A 28 5.843 7.043 -4.942 1.00 0.37 H new ATOM 0 HB VAL A 28 5.041 6.413 -2.667 1.00 0.37 H new ATOM 0 HG11 VAL A 28 2.644 6.828 -3.036 1.00 0.39 H new ATOM 0 HG12 VAL A 28 3.662 7.883 -4.045 1.00 0.39 H new ATOM 0 HG13 VAL A 28 2.854 6.471 -4.767 1.00 0.39 H new ATOM 0 HG21 VAL A 28 3.426 4.575 -2.399 1.00 0.44 H new ATOM 0 HG22 VAL A 28 3.671 4.118 -4.102 1.00 0.44 H new ATOM 0 HG23 VAL A 28 5.015 3.987 -2.943 1.00 0.44 H new ATOM 338 N GLU A 29 6.993 4.043 -4.812 1.00 0.45 N ATOM 339 CA GLU A 29 8.152 3.227 -4.462 1.00 0.49 C ATOM 340 C GLU A 29 9.462 3.879 -4.900 1.00 0.49 C ATOM 341 O GLU A 29 10.543 3.422 -4.525 1.00 0.53 O ATOM 342 CB GLU A 29 8.035 1.833 -5.080 1.00 0.62 C ATOM 343 CG GLU A 29 7.711 1.847 -6.563 1.00 0.70 C ATOM 344 CD GLU A 29 8.014 0.523 -7.238 1.00 0.96 C ATOM 345 OE1 GLU A 29 7.170 -0.394 -7.152 1.00 1.11 O ATOM 346 OE2 GLU A 29 9.095 0.403 -7.853 1.00 1.13 O ATOM 0 H GLU A 29 6.352 3.607 -5.475 1.00 0.45 H new ATOM 0 HA GLU A 29 8.167 3.140 -3.376 1.00 0.49 H new ATOM 0 HB2 GLU A 29 8.972 1.298 -4.927 1.00 0.62 H new ATOM 0 HB3 GLU A 29 7.260 1.276 -4.553 1.00 0.62 H new ATOM 0 HG2 GLU A 29 6.656 2.087 -6.699 1.00 0.70 H new ATOM 0 HG3 GLU A 29 8.283 2.638 -7.049 1.00 0.70 H new ATOM 353 N LYS A 30 9.371 4.942 -5.693 1.00 0.49 N ATOM 354 CA LYS A 30 10.565 5.630 -6.180 1.00 0.55 C ATOM 355 C LYS A 30 10.816 6.945 -5.440 1.00 0.50 C ATOM 356 O LYS A 30 11.946 7.231 -5.045 1.00 0.52 O ATOM 357 CB LYS A 30 10.448 5.895 -7.682 1.00 0.66 C ATOM 358 CG LYS A 30 9.188 6.652 -8.069 1.00 0.64 C ATOM 359 CD LYS A 30 9.206 7.062 -9.534 1.00 0.74 C ATOM 360 CE LYS A 30 9.141 5.854 -10.456 1.00 1.25 C ATOM 361 NZ LYS A 30 9.146 6.250 -11.892 1.00 1.48 N ATOM 0 H LYS A 30 8.490 5.345 -6.011 1.00 0.49 H new ATOM 0 HA LYS A 30 11.415 4.975 -5.988 1.00 0.55 H new ATOM 0 HB2 LYS A 30 11.318 6.462 -8.011 1.00 0.66 H new ATOM 0 HB3 LYS A 30 10.468 4.943 -8.213 1.00 0.66 H new ATOM 0 HG2 LYS A 30 8.315 6.028 -7.876 1.00 0.64 H new ATOM 0 HG3 LYS A 30 9.090 7.539 -7.444 1.00 0.64 H new ATOM 0 HD2 LYS A 30 8.362 7.721 -9.738 1.00 0.74 H new ATOM 0 HD3 LYS A 30 10.113 7.630 -9.742 1.00 0.74 H new ATOM 0 HE2 LYS A 30 9.990 5.199 -10.257 1.00 1.25 H new ATOM 0 HE3 LYS A 30 8.239 5.281 -10.241 1.00 1.25 H new ATOM 0 HZ1 LYS A 30 9.101 5.398 -12.487 1.00 1.48 H new ATOM 0 HZ2 LYS A 30 8.322 6.854 -12.088 1.00 1.48 H new ATOM 0 HZ3 LYS A 30 10.018 6.775 -12.104 1.00 1.48 H new ATOM 375 N LEU A 31 9.766 7.743 -5.254 1.00 0.47 N ATOM 376 CA LEU A 31 9.899 9.029 -4.573 1.00 0.48 C ATOM 377 C LEU A 31 8.991 9.121 -3.348 1.00 0.39 C ATOM 378 O LEU A 31 8.519 10.201 -2.994 1.00 0.46 O ATOM 379 CB LEU A 31 9.593 10.175 -5.545 1.00 0.61 C ATOM 380 CG LEU A 31 8.359 9.976 -6.433 1.00 0.63 C ATOM 381 CD1 LEU A 31 7.079 10.198 -5.643 1.00 0.58 C ATOM 382 CD2 LEU A 31 8.414 10.909 -7.633 1.00 0.81 C ATOM 0 H LEU A 31 8.819 7.523 -5.563 1.00 0.47 H new ATOM 0 HA LEU A 31 10.929 9.113 -4.226 1.00 0.48 H new ATOM 0 HB2 LEU A 31 9.461 11.091 -4.969 1.00 0.61 H new ATOM 0 HB3 LEU A 31 10.461 10.325 -6.187 1.00 0.61 H new ATOM 0 HG LEU A 31 8.360 8.947 -6.792 1.00 0.63 H new ATOM 0 HD11 LEU A 31 6.218 10.051 -6.296 1.00 0.58 H new ATOM 0 HD12 LEU A 31 7.034 9.488 -4.817 1.00 0.58 H new ATOM 0 HD13 LEU A 31 7.066 11.214 -5.249 1.00 0.58 H new ATOM 0 HD21 LEU A 31 7.531 10.756 -8.254 1.00 0.81 H new ATOM 0 HD22 LEU A 31 8.441 11.943 -7.289 1.00 0.81 H new ATOM 0 HD23 LEU A 31 9.310 10.698 -8.217 1.00 0.81 H new ATOM 394 N GLY A 32 8.764 7.987 -2.697 1.00 0.31 N ATOM 395 CA GLY A 32 7.912 7.966 -1.521 1.00 0.33 C ATOM 396 C GLY A 32 8.669 8.273 -0.242 1.00 0.29 C ATOM 397 O GLY A 32 9.849 8.621 -0.279 1.00 0.29 O ATOM 0 H GLY A 32 9.154 7.082 -2.961 1.00 0.31 H new ATOM 0 HA2 GLY A 32 7.109 8.693 -1.646 1.00 0.33 H new ATOM 0 HA3 GLY A 32 7.444 6.986 -1.434 1.00 0.33 H new ATOM 401 N THR A 33 7.983 8.142 0.890 1.00 0.34 N ATOM 402 CA THR A 33 8.587 8.402 2.193 1.00 0.39 C ATOM 403 C THR A 33 8.100 7.389 3.223 1.00 0.45 C ATOM 404 O THR A 33 8.862 6.938 4.079 1.00 0.54 O ATOM 405 CB THR A 33 8.263 9.822 2.692 1.00 0.50 C ATOM 406 OG1 THR A 33 8.677 10.789 1.720 1.00 1.33 O ATOM 407 CG2 THR A 33 8.955 10.105 4.018 1.00 1.32 C ATOM 0 H THR A 33 7.005 7.856 0.931 1.00 0.34 H new ATOM 0 HA THR A 33 9.666 8.311 2.071 1.00 0.39 H new ATOM 0 HB THR A 33 7.185 9.891 2.841 1.00 0.50 H new ATOM 0 HG1 THR A 33 8.466 11.690 2.044 1.00 1.33 H new ATOM 0 HG21 THR A 33 8.710 11.114 4.348 1.00 1.32 H new ATOM 0 HG22 THR A 33 8.618 9.387 4.765 1.00 1.32 H new ATOM 0 HG23 THR A 33 10.034 10.017 3.891 1.00 1.32 H new ATOM 415 N GLY A 34 6.822 7.038 3.131 1.00 0.45 N ATOM 416 CA GLY A 34 6.240 6.079 4.053 1.00 0.56 C ATOM 417 C GLY A 34 4.810 5.731 3.691 1.00 0.54 C ATOM 418 O GLY A 34 4.027 5.338 4.557 1.00 0.65 O ATOM 0 H GLY A 34 6.176 7.402 2.431 1.00 0.45 H new ATOM 0 HA2 GLY A 34 6.843 5.171 4.058 1.00 0.56 H new ATOM 0 HA3 GLY A 34 6.268 6.486 5.064 1.00 0.56 H new ATOM 422 N ARG A 35 4.478 5.885 2.407 1.00 0.44 N ATOM 423 CA ARG A 35 3.139 5.596 1.886 1.00 0.45 C ATOM 424 C ARG A 35 2.044 6.074 2.838 1.00 0.52 C ATOM 425 O ARG A 35 0.938 5.538 2.846 1.00 0.57 O ATOM 426 CB ARG A 35 2.978 4.099 1.566 1.00 0.56 C ATOM 427 CG ARG A 35 3.217 3.152 2.737 1.00 0.88 C ATOM 428 CD ARG A 35 1.944 2.897 3.527 1.00 1.19 C ATOM 429 NE ARG A 35 0.841 2.478 2.666 1.00 2.24 N ATOM 430 CZ ARG A 35 -0.153 1.690 3.065 1.00 3.15 C ATOM 431 NH1 ARG A 35 -0.178 1.226 4.307 1.00 3.22 N ATOM 432 NH2 ARG A 35 -1.121 1.362 2.221 1.00 4.26 N ATOM 0 H ARG A 35 5.132 6.215 1.697 1.00 0.44 H new ATOM 0 HA ARG A 35 3.028 6.154 0.956 1.00 0.45 H new ATOM 0 HB2 ARG A 35 1.970 3.932 1.185 1.00 0.56 H new ATOM 0 HB3 ARG A 35 3.669 3.840 0.764 1.00 0.56 H new ATOM 0 HG2 ARG A 35 3.609 2.206 2.365 1.00 0.88 H new ATOM 0 HG3 ARG A 35 3.975 3.574 3.396 1.00 0.88 H new ATOM 0 HD2 ARG A 35 2.131 2.129 4.277 1.00 1.19 H new ATOM 0 HD3 ARG A 35 1.662 3.803 4.063 1.00 1.19 H new ATOM 0 HE ARG A 35 0.833 2.810 1.701 1.00 2.24 H new ATOM 0 HH11 ARG A 35 0.566 1.473 4.959 1.00 3.22 H new ATOM 0 HH12 ARG A 35 -0.942 0.622 4.610 1.00 3.22 H new ATOM 0 HH21 ARG A 35 -1.104 1.714 1.264 1.00 4.26 H new ATOM 0 HH22 ARG A 35 -1.883 0.757 2.529 1.00 4.26 H new ATOM 446 N TRP A 36 2.356 7.105 3.619 1.00 0.56 N ATOM 447 CA TRP A 36 1.398 7.664 4.563 1.00 0.69 C ATOM 448 C TRP A 36 0.144 8.128 3.832 1.00 0.68 C ATOM 449 O TRP A 36 -0.978 7.870 4.268 1.00 0.74 O ATOM 450 CB TRP A 36 2.019 8.839 5.322 1.00 0.83 C ATOM 451 CG TRP A 36 3.388 8.546 5.862 1.00 1.00 C ATOM 452 CD1 TRP A 36 4.581 8.887 5.293 1.00 0.77 C ATOM 453 CD2 TRP A 36 3.702 7.853 7.074 1.00 2.14 C ATOM 454 NE1 TRP A 36 5.619 8.449 6.078 1.00 1.60 N ATOM 455 CE2 TRP A 36 5.106 7.810 7.177 1.00 2.56 C ATOM 456 CE3 TRP A 36 2.935 7.264 8.084 1.00 2.97 C ATOM 457 CZ2 TRP A 36 5.756 7.203 8.249 1.00 3.80 C ATOM 458 CZ3 TRP A 36 3.582 6.662 9.147 1.00 4.19 C ATOM 459 CH2 TRP A 36 4.980 6.635 9.222 1.00 4.61 C ATOM 0 H TRP A 36 3.265 7.569 3.615 1.00 0.56 H new ATOM 0 HA TRP A 36 1.126 6.886 5.277 1.00 0.69 H new ATOM 0 HB2 TRP A 36 2.076 9.701 4.657 1.00 0.83 H new ATOM 0 HB3 TRP A 36 1.363 9.116 6.147 1.00 0.83 H new ATOM 0 HD1 TRP A 36 4.692 9.423 4.362 1.00 0.77 H new ATOM 0 HE1 TRP A 36 6.610 8.578 5.876 1.00 1.60 H new ATOM 0 HE3 TRP A 36 1.856 7.279 8.034 1.00 2.97 H new ATOM 0 HZ2 TRP A 36 6.834 7.182 8.310 1.00 3.80 H new ATOM 0 HZ3 TRP A 36 2.999 6.205 9.933 1.00 4.19 H new ATOM 0 HH2 TRP A 36 5.455 6.156 10.065 1.00 4.61 H new ATOM 470 N ARG A 37 0.348 8.806 2.708 1.00 0.66 N ATOM 471 CA ARG A 37 -0.759 9.310 1.907 1.00 0.72 C ATOM 472 C ARG A 37 -1.522 8.160 1.262 1.00 0.59 C ATOM 473 O ARG A 37 -2.700 8.291 0.925 1.00 0.64 O ATOM 474 CB ARG A 37 -0.230 10.259 0.836 1.00 0.84 C ATOM 475 CG ARG A 37 0.865 9.649 -0.022 1.00 0.76 C ATOM 476 CD ARG A 37 1.702 10.720 -0.696 1.00 0.98 C ATOM 477 NE ARG A 37 2.492 11.484 0.267 1.00 1.73 N ATOM 478 CZ ARG A 37 3.359 12.432 -0.074 1.00 2.17 C ATOM 479 NH1 ARG A 37 3.548 12.734 -1.353 1.00 1.73 N ATOM 480 NH2 ARG A 37 4.039 13.081 0.862 1.00 3.30 N ATOM 0 H ARG A 37 1.272 9.019 2.331 1.00 0.66 H new ATOM 0 HA ARG A 37 -1.445 9.852 2.558 1.00 0.72 H new ATOM 0 HB2 ARG A 37 -1.055 10.567 0.194 1.00 0.84 H new ATOM 0 HB3 ARG A 37 0.154 11.159 1.316 1.00 0.84 H new ATOM 0 HG2 ARG A 37 1.506 9.020 0.596 1.00 0.76 H new ATOM 0 HG3 ARG A 37 0.419 9.004 -0.779 1.00 0.76 H new ATOM 0 HD2 ARG A 37 2.368 10.256 -1.424 1.00 0.98 H new ATOM 0 HD3 ARG A 37 1.049 11.397 -1.247 1.00 0.98 H new ATOM 0 HE ARG A 37 2.371 11.278 1.259 1.00 1.73 H new ATOM 0 HH11 ARG A 37 3.027 12.238 -2.076 1.00 1.73 H new ATOM 0 HH12 ARG A 37 4.214 13.462 -1.612 1.00 1.73 H new ATOM 0 HH21 ARG A 37 3.897 12.853 1.846 1.00 3.30 H new ATOM 0 HH22 ARG A 37 4.704 13.808 0.598 1.00 3.30 H new ATOM 494 N ASP A 38 -0.841 7.030 1.097 1.00 0.48 N ATOM 495 CA ASP A 38 -1.448 5.852 0.490 1.00 0.48 C ATOM 496 C ASP A 38 -2.423 5.185 1.452 1.00 0.54 C ATOM 497 O ASP A 38 -3.571 4.930 1.102 1.00 0.59 O ATOM 498 CB ASP A 38 -0.366 4.856 0.067 1.00 0.53 C ATOM 499 CG ASP A 38 0.574 5.430 -0.974 1.00 0.58 C ATOM 500 OD1 ASP A 38 1.393 6.302 -0.618 1.00 0.52 O ATOM 501 OD2 ASP A 38 0.489 5.008 -2.147 1.00 0.78 O ATOM 0 H ASP A 38 0.132 6.906 1.376 1.00 0.48 H new ATOM 0 HA ASP A 38 -2.001 6.173 -0.393 1.00 0.48 H new ATOM 0 HB2 ASP A 38 0.208 4.554 0.943 1.00 0.53 H new ATOM 0 HB3 ASP A 38 -0.839 3.958 -0.330 1.00 0.53 H new ATOM 506 N VAL A 39 -1.959 4.905 2.665 1.00 0.64 N ATOM 507 CA VAL A 39 -2.793 4.260 3.674 1.00 0.83 C ATOM 508 C VAL A 39 -3.965 5.150 4.077 1.00 0.85 C ATOM 509 O VAL A 39 -5.034 4.655 4.435 1.00 0.96 O ATOM 510 CB VAL A 39 -1.973 3.898 4.928 1.00 1.05 C ATOM 511 CG1 VAL A 39 -1.425 5.149 5.595 1.00 2.01 C ATOM 512 CG2 VAL A 39 -2.811 3.088 5.904 1.00 1.87 C ATOM 0 H VAL A 39 -1.010 5.114 2.974 1.00 0.64 H new ATOM 0 HA VAL A 39 -3.181 3.345 3.227 1.00 0.83 H new ATOM 0 HB VAL A 39 -1.128 3.284 4.615 1.00 1.05 H new ATOM 0 HG11 VAL A 39 -0.850 4.869 6.477 1.00 2.01 H new ATOM 0 HG12 VAL A 39 -0.780 5.681 4.896 1.00 2.01 H new ATOM 0 HG13 VAL A 39 -2.251 5.795 5.891 1.00 2.01 H new ATOM 0 HG21 VAL A 39 -2.213 2.843 6.782 1.00 1.87 H new ATOM 0 HG22 VAL A 39 -3.680 3.671 6.208 1.00 1.87 H new ATOM 0 HG23 VAL A 39 -3.142 2.168 5.423 1.00 1.87 H new ATOM 522 N LYS A 40 -3.761 6.461 4.016 1.00 0.86 N ATOM 523 CA LYS A 40 -4.808 7.410 4.379 1.00 1.02 C ATOM 524 C LYS A 40 -5.899 7.464 3.313 1.00 0.90 C ATOM 525 O LYS A 40 -7.086 7.511 3.634 1.00 0.89 O ATOM 526 CB LYS A 40 -4.216 8.807 4.588 1.00 1.22 C ATOM 527 CG LYS A 40 -3.972 9.160 6.048 1.00 1.48 C ATOM 528 CD LYS A 40 -2.859 8.319 6.653 1.00 2.10 C ATOM 529 CE LYS A 40 -2.583 8.716 8.093 1.00 2.76 C ATOM 530 NZ LYS A 40 -1.457 7.936 8.678 1.00 3.34 N ATOM 0 H LYS A 40 -2.884 6.890 3.720 1.00 0.86 H new ATOM 0 HA LYS A 40 -5.256 7.068 5.312 1.00 1.02 H new ATOM 0 HB2 LYS A 40 -3.274 8.877 4.045 1.00 1.22 H new ATOM 0 HB3 LYS A 40 -4.890 9.545 4.153 1.00 1.22 H new ATOM 0 HG2 LYS A 40 -3.715 10.216 6.129 1.00 1.48 H new ATOM 0 HG3 LYS A 40 -4.890 9.011 6.616 1.00 1.48 H new ATOM 0 HD2 LYS A 40 -3.134 7.265 6.611 1.00 2.10 H new ATOM 0 HD3 LYS A 40 -1.951 8.435 6.062 1.00 2.10 H new ATOM 0 HE2 LYS A 40 -2.350 9.780 8.138 1.00 2.76 H new ATOM 0 HE3 LYS A 40 -3.481 8.561 8.691 1.00 2.76 H new ATOM 0 HZ1 LYS A 40 -1.471 8.030 9.714 1.00 3.34 H new ATOM 0 HZ2 LYS A 40 -1.558 6.934 8.420 1.00 3.34 H new ATOM 0 HZ3 LYS A 40 -0.555 8.299 8.309 1.00 3.34 H new ATOM 544 N LEU A 41 -5.493 7.457 2.045 1.00 0.84 N ATOM 545 CA LEU A 41 -6.446 7.520 0.941 1.00 0.82 C ATOM 546 C LEU A 41 -6.472 6.222 0.137 1.00 0.75 C ATOM 547 O LEU A 41 -6.839 6.226 -1.039 1.00 0.82 O ATOM 548 CB LEU A 41 -6.113 8.695 0.015 1.00 0.93 C ATOM 549 CG LEU A 41 -6.453 10.082 0.567 1.00 1.40 C ATOM 550 CD1 LEU A 41 -5.505 10.464 1.693 1.00 2.44 C ATOM 551 CD2 LEU A 41 -6.407 11.120 -0.545 1.00 1.58 C ATOM 0 H LEU A 41 -4.515 7.409 1.758 1.00 0.84 H new ATOM 0 HA LEU A 41 -7.435 7.667 1.375 1.00 0.82 H new ATOM 0 HB2 LEU A 41 -5.048 8.665 -0.214 1.00 0.93 H new ATOM 0 HB3 LEU A 41 -6.645 8.556 -0.926 1.00 0.93 H new ATOM 0 HG LEU A 41 -7.464 10.050 0.972 1.00 1.40 H new ATOM 0 HD11 LEU A 41 -5.766 11.453 2.069 1.00 2.44 H new ATOM 0 HD12 LEU A 41 -5.587 9.736 2.500 1.00 2.44 H new ATOM 0 HD13 LEU A 41 -4.482 10.477 1.318 1.00 2.44 H new ATOM 0 HD21 LEU A 41 -6.651 12.101 -0.137 1.00 1.58 H new ATOM 0 HD22 LEU A 41 -5.407 11.145 -0.978 1.00 1.58 H new ATOM 0 HD23 LEU A 41 -7.130 10.858 -1.317 1.00 1.58 H new ATOM 563 N CYS A 42 -6.088 5.114 0.766 1.00 0.70 N ATOM 564 CA CYS A 42 -6.087 3.824 0.084 1.00 0.72 C ATOM 565 C CYS A 42 -7.482 3.513 -0.439 1.00 0.80 C ATOM 566 O CYS A 42 -7.655 3.102 -1.586 1.00 0.90 O ATOM 567 CB CYS A 42 -5.621 2.715 1.032 1.00 0.74 C ATOM 568 SG CYS A 42 -6.599 2.577 2.547 1.00 1.36 S ATOM 0 H CYS A 42 -5.777 5.083 1.737 1.00 0.70 H new ATOM 0 HA CYS A 42 -5.394 3.874 -0.756 1.00 0.72 H new ATOM 0 HB2 CYS A 42 -5.654 1.762 0.503 1.00 0.74 H new ATOM 0 HB3 CYS A 42 -4.580 2.895 1.300 1.00 0.74 H new ATOM 0 HG CYS A 42 -6.118 3.380 3.449 1.00 1.36 H new ATOM 574 N ALA A 43 -8.469 3.725 0.422 1.00 0.80 N ATOM 575 CA ALA A 43 -9.866 3.486 0.077 1.00 0.88 C ATOM 576 C ALA A 43 -10.785 3.889 1.225 1.00 0.91 C ATOM 577 O ALA A 43 -11.895 3.370 1.353 1.00 1.00 O ATOM 578 CB ALA A 43 -10.082 2.022 -0.275 1.00 0.93 C ATOM 0 H ALA A 43 -8.326 4.065 1.373 1.00 0.80 H new ATOM 0 HA ALA A 43 -10.110 4.098 -0.791 1.00 0.88 H new ATOM 0 HB1 ALA A 43 -11.129 1.860 -0.530 1.00 0.93 H new ATOM 0 HB2 ALA A 43 -9.456 1.756 -1.127 1.00 0.93 H new ATOM 0 HB3 ALA A 43 -9.816 1.399 0.579 1.00 0.93 H new ATOM 584 N PHE A 44 -10.312 4.817 2.060 1.00 0.88 N ATOM 585 CA PHE A 44 -11.068 5.285 3.207 1.00 0.96 C ATOM 586 C PHE A 44 -11.200 4.146 4.194 1.00 0.98 C ATOM 587 O PHE A 44 -11.974 4.207 5.150 1.00 1.08 O ATOM 588 CB PHE A 44 -12.445 5.802 2.787 1.00 1.09 C ATOM 589 CG PHE A 44 -12.388 6.915 1.779 1.00 1.35 C ATOM 590 CD1 PHE A 44 -12.210 8.227 2.185 1.00 1.56 C ATOM 591 CD2 PHE A 44 -12.512 6.648 0.424 1.00 2.14 C ATOM 592 CE1 PHE A 44 -12.157 9.253 1.261 1.00 2.50 C ATOM 593 CE2 PHE A 44 -12.460 7.669 -0.505 1.00 3.17 C ATOM 594 CZ PHE A 44 -12.282 8.973 -0.087 1.00 3.34 C ATOM 0 H PHE A 44 -9.399 5.259 1.955 1.00 0.88 H new ATOM 0 HA PHE A 44 -10.541 6.118 3.673 1.00 0.96 H new ATOM 0 HB2 PHE A 44 -13.023 4.976 2.372 1.00 1.09 H new ATOM 0 HB3 PHE A 44 -12.978 6.151 3.671 1.00 1.09 H new ATOM 0 HD1 PHE A 44 -12.111 8.451 3.237 1.00 1.56 H new ATOM 0 HD2 PHE A 44 -12.651 5.630 0.091 1.00 2.14 H new ATOM 0 HE1 PHE A 44 -12.018 10.272 1.591 1.00 2.50 H new ATOM 0 HE2 PHE A 44 -12.558 7.448 -1.557 1.00 3.17 H new ATOM 0 HZ PHE A 44 -12.241 9.773 -0.812 1.00 3.34 H new ATOM 604 N GLU A 45 -10.421 3.101 3.940 1.00 0.92 N ATOM 605 CA GLU A 45 -10.427 1.919 4.777 1.00 0.99 C ATOM 606 C GLU A 45 -9.480 2.072 5.962 1.00 0.97 C ATOM 607 O GLU A 45 -9.868 1.859 7.111 1.00 1.07 O ATOM 608 CB GLU A 45 -10.054 0.682 3.958 1.00 1.00 C ATOM 609 CG GLU A 45 -11.036 0.369 2.843 1.00 1.10 C ATOM 610 CD GLU A 45 -12.434 0.091 3.358 1.00 1.50 C ATOM 611 OE1 GLU A 45 -12.736 -1.084 3.652 1.00 1.51 O ATOM 612 OE2 GLU A 45 -13.229 1.049 3.468 1.00 2.12 O ATOM 0 H GLU A 45 -9.774 3.054 3.153 1.00 0.92 H new ATOM 0 HA GLU A 45 -11.437 1.794 5.167 1.00 0.99 H new ATOM 0 HB2 GLU A 45 -9.063 0.828 3.527 1.00 1.00 H new ATOM 0 HB3 GLU A 45 -9.989 -0.178 4.625 1.00 1.00 H new ATOM 0 HG2 GLU A 45 -11.069 1.207 2.147 1.00 1.10 H new ATOM 0 HG3 GLU A 45 -10.680 -0.496 2.283 1.00 1.10 H new ATOM 619 N ASP A 46 -8.235 2.442 5.674 1.00 0.88 N ATOM 620 CA ASP A 46 -7.231 2.615 6.717 1.00 0.88 C ATOM 621 C ASP A 46 -6.953 4.093 6.971 1.00 0.92 C ATOM 622 O ASP A 46 -5.884 4.458 7.459 1.00 1.04 O ATOM 623 CB ASP A 46 -5.938 1.898 6.327 1.00 0.89 C ATOM 624 CG ASP A 46 -6.136 0.406 6.146 1.00 1.08 C ATOM 625 OD1 ASP A 46 -6.466 -0.017 5.019 1.00 1.46 O ATOM 626 OD2 ASP A 46 -5.960 -0.340 7.133 1.00 1.25 O ATOM 0 H ASP A 46 -7.899 2.627 4.729 1.00 0.88 H new ATOM 0 HA ASP A 46 -7.619 2.178 7.637 1.00 0.88 H new ATOM 0 HB2 ASP A 46 -5.554 2.326 5.401 1.00 0.89 H new ATOM 0 HB3 ASP A 46 -5.184 2.071 7.095 1.00 0.89 H new ATOM 631 N ALA A 47 -7.927 4.937 6.643 1.00 0.92 N ATOM 632 CA ALA A 47 -7.788 6.376 6.839 1.00 1.08 C ATOM 633 C ALA A 47 -7.723 6.725 8.323 1.00 1.29 C ATOM 634 O ALA A 47 -7.474 7.875 8.689 1.00 1.56 O ATOM 635 CB ALA A 47 -8.941 7.111 6.174 1.00 1.03 C ATOM 0 H ALA A 47 -8.819 4.650 6.241 1.00 0.92 H new ATOM 0 HA ALA A 47 -6.853 6.692 6.377 1.00 1.08 H new ATOM 0 HB1 ALA A 47 -8.825 8.184 6.328 1.00 1.03 H new ATOM 0 HB2 ALA A 47 -8.942 6.895 5.106 1.00 1.03 H new ATOM 0 HB3 ALA A 47 -9.883 6.781 6.611 1.00 1.03 H new ATOM 641 N ASP A 48 -7.947 5.728 9.174 1.00 1.28 N ATOM 642 CA ASP A 48 -7.915 5.931 10.620 1.00 1.56 C ATOM 643 C ASP A 48 -6.514 5.685 11.176 1.00 1.69 C ATOM 644 O ASP A 48 -6.290 5.814 12.379 1.00 2.01 O ATOM 645 CB ASP A 48 -8.918 5.004 11.307 1.00 1.64 C ATOM 646 CG ASP A 48 -10.342 5.248 10.844 1.00 1.85 C ATOM 647 OD1 ASP A 48 -11.032 6.084 11.465 1.00 1.99 O ATOM 648 OD2 ASP A 48 -10.767 4.605 9.862 1.00 2.25 O ATOM 0 H ASP A 48 -8.153 4.771 8.888 1.00 1.28 H new ATOM 0 HA ASP A 48 -8.189 6.967 10.822 1.00 1.56 H new ATOM 0 HB2 ASP A 48 -8.646 3.967 11.107 1.00 1.64 H new ATOM 0 HB3 ASP A 48 -8.860 5.146 12.386 1.00 1.64 H new ATOM 653 N HIS A 49 -5.583 5.337 10.284 1.00 1.50 N ATOM 654 CA HIS A 49 -4.188 5.064 10.651 1.00 1.64 C ATOM 655 C HIS A 49 -4.076 4.333 11.988 1.00 0.88 C ATOM 656 O HIS A 49 -4.049 4.951 13.053 1.00 1.32 O ATOM 657 CB HIS A 49 -3.364 6.358 10.671 1.00 2.44 C ATOM 658 CG HIS A 49 -3.971 7.469 11.475 1.00 3.38 C ATOM 659 ND1 HIS A 49 -4.985 8.273 11.000 1.00 4.27 N ATOM 660 CD2 HIS A 49 -3.699 7.908 12.728 1.00 3.89 C ATOM 661 CE1 HIS A 49 -5.310 9.160 11.925 1.00 5.11 C ATOM 662 NE2 HIS A 49 -4.546 8.959 12.981 1.00 4.87 N ATOM 0 H HIS A 49 -5.773 5.236 9.287 1.00 1.50 H new ATOM 0 HA HIS A 49 -3.780 4.403 9.886 1.00 1.64 H new ATOM 0 HB2 HIS A 49 -2.374 6.137 11.069 1.00 2.44 H new ATOM 0 HB3 HIS A 49 -3.226 6.702 9.646 1.00 2.44 H new ATOM 0 HD2 HIS A 49 -2.956 7.507 13.401 1.00 3.89 H new ATOM 0 HE1 HIS A 49 -6.072 9.920 11.832 1.00 5.11 H new ATOM 0 HE2 HIS A 49 -4.579 9.498 13.847 1.00 4.87 H new ATOM 671 N ARG A 50 -4.001 3.008 11.922 1.00 0.70 N ATOM 672 CA ARG A 50 -3.893 2.185 13.123 1.00 1.26 C ATOM 673 C ARG A 50 -2.593 2.470 13.869 1.00 0.98 C ATOM 674 O ARG A 50 -2.608 3.040 14.962 1.00 0.90 O ATOM 675 CB ARG A 50 -3.968 0.701 12.755 1.00 2.27 C ATOM 676 CG ARG A 50 -5.251 0.313 12.037 1.00 2.89 C ATOM 677 CD ARG A 50 -6.471 0.502 12.925 1.00 3.75 C ATOM 678 NE ARG A 50 -7.707 0.132 12.240 1.00 4.32 N ATOM 679 CZ ARG A 50 -8.917 0.261 12.778 1.00 5.26 C ATOM 680 NH1 ARG A 50 -9.054 0.753 14.003 1.00 5.76 N ATOM 681 NH2 ARG A 50 -9.991 -0.101 12.091 1.00 5.96 N ATOM 0 H ARG A 50 -4.013 2.480 11.049 1.00 0.70 H new ATOM 0 HA ARG A 50 -4.727 2.435 13.779 1.00 1.26 H new ATOM 0 HB2 ARG A 50 -3.117 0.449 12.122 1.00 2.27 H new ATOM 0 HB3 ARG A 50 -3.876 0.105 13.663 1.00 2.27 H new ATOM 0 HG2 ARG A 50 -5.360 0.916 11.135 1.00 2.89 H new ATOM 0 HG3 ARG A 50 -5.190 -0.728 11.719 1.00 2.89 H new ATOM 0 HD2 ARG A 50 -6.361 -0.101 13.826 1.00 3.75 H new ATOM 0 HD3 ARG A 50 -6.530 1.543 13.244 1.00 3.75 H new ATOM 0 HE ARG A 50 -7.639 -0.247 11.295 1.00 4.32 H new ATOM 0 HH11 ARG A 50 -8.230 1.034 14.535 1.00 5.76 H new ATOM 0 HH12 ARG A 50 -9.983 0.851 14.412 1.00 5.76 H new ATOM 0 HH21 ARG A 50 -9.890 -0.479 11.149 1.00 5.96 H new ATOM 0 HH22 ARG A 50 -10.918 -0.002 12.504 1.00 5.96 H new ATOM 695 N THR A 51 -1.472 2.072 13.276 1.00 0.87 N ATOM 696 CA THR A 51 -0.164 2.282 13.890 1.00 0.69 C ATOM 697 C THR A 51 0.941 2.201 12.841 1.00 0.61 C ATOM 698 O THR A 51 0.667 1.961 11.667 1.00 0.59 O ATOM 699 CB THR A 51 0.118 1.245 14.996 1.00 0.75 C ATOM 700 OG1 THR A 51 -1.117 0.732 15.516 1.00 0.99 O ATOM 701 CG2 THR A 51 0.922 1.867 16.127 1.00 0.92 C ATOM 0 H THR A 51 -1.442 1.602 12.371 1.00 0.87 H new ATOM 0 HA THR A 51 -0.177 3.276 14.337 1.00 0.69 H new ATOM 0 HB THR A 51 0.697 0.431 14.559 1.00 0.75 H new ATOM 0 HG1 THR A 51 -1.077 -0.247 15.549 1.00 0.99 H new ATOM 0 HG21 THR A 51 1.109 1.117 16.896 1.00 0.92 H new ATOM 0 HG22 THR A 51 1.872 2.234 15.739 1.00 0.92 H new ATOM 0 HG23 THR A 51 0.362 2.697 16.558 1.00 0.92 H new ATOM 709 N TYR A 52 2.185 2.403 13.260 1.00 0.58 N ATOM 710 CA TYR A 52 3.310 2.353 12.332 1.00 0.55 C ATOM 711 C TYR A 52 3.474 0.959 11.720 1.00 0.47 C ATOM 712 O TYR A 52 3.602 0.827 10.501 1.00 0.45 O ATOM 713 CB TYR A 52 4.611 2.830 13.004 1.00 0.59 C ATOM 714 CG TYR A 52 5.198 1.903 14.053 1.00 0.55 C ATOM 715 CD1 TYR A 52 4.451 1.458 15.139 1.00 0.53 C ATOM 716 CD2 TYR A 52 6.525 1.494 13.965 1.00 0.56 C ATOM 717 CE1 TYR A 52 5.007 0.634 16.101 1.00 0.53 C ATOM 718 CE2 TYR A 52 7.086 0.669 14.921 1.00 0.56 C ATOM 719 CZ TYR A 52 6.322 0.242 15.986 1.00 0.54 C ATOM 720 OH TYR A 52 6.878 -0.578 16.942 1.00 0.58 O ATOM 0 H TYR A 52 2.440 2.601 14.228 1.00 0.58 H new ATOM 0 HA TYR A 52 3.090 3.041 11.515 1.00 0.55 H new ATOM 0 HB2 TYR A 52 5.360 2.989 12.228 1.00 0.59 H new ATOM 0 HB3 TYR A 52 4.423 3.798 13.468 1.00 0.59 H new ATOM 0 HD1 TYR A 52 3.419 1.761 15.233 1.00 0.53 H new ATOM 0 HD2 TYR A 52 7.128 1.828 13.134 1.00 0.56 H new ATOM 0 HE1 TYR A 52 4.412 0.300 16.938 1.00 0.53 H new ATOM 0 HE2 TYR A 52 8.117 0.360 14.834 1.00 0.56 H new ATOM 0 HH TYR A 52 7.813 -0.762 16.712 1.00 0.58 H new ATOM 730 N VAL A 53 3.452 -0.080 12.551 1.00 0.44 N ATOM 731 CA VAL A 53 3.590 -1.449 12.053 1.00 0.41 C ATOM 732 C VAL A 53 2.268 -1.956 11.486 1.00 0.41 C ATOM 733 O VAL A 53 2.249 -2.674 10.487 1.00 0.40 O ATOM 734 CB VAL A 53 4.080 -2.420 13.147 1.00 0.43 C ATOM 735 CG1 VAL A 53 4.071 -3.855 12.639 1.00 0.44 C ATOM 736 CG2 VAL A 53 5.472 -2.034 13.612 1.00 0.46 C ATOM 0 H VAL A 53 3.341 -0.004 13.562 1.00 0.44 H new ATOM 0 HA VAL A 53 4.340 -1.418 11.263 1.00 0.41 H new ATOM 0 HB VAL A 53 3.397 -2.352 13.994 1.00 0.43 H new ATOM 0 HG11 VAL A 53 4.420 -4.522 13.427 1.00 0.44 H new ATOM 0 HG12 VAL A 53 3.057 -4.133 12.351 1.00 0.44 H new ATOM 0 HG13 VAL A 53 4.729 -3.939 11.774 1.00 0.44 H new ATOM 0 HG21 VAL A 53 5.803 -2.729 14.384 1.00 0.46 H new ATOM 0 HG22 VAL A 53 6.161 -2.073 12.768 1.00 0.46 H new ATOM 0 HG23 VAL A 53 5.453 -1.023 14.018 1.00 0.46 H new ATOM 746 N ASP A 54 1.167 -1.583 12.132 1.00 0.45 N ATOM 747 CA ASP A 54 -0.155 -1.997 11.681 1.00 0.50 C ATOM 748 C ASP A 54 -0.422 -1.487 10.270 1.00 0.49 C ATOM 749 O ASP A 54 -0.775 -2.256 9.373 1.00 0.51 O ATOM 750 CB ASP A 54 -1.232 -1.484 12.639 1.00 0.58 C ATOM 751 CG ASP A 54 -1.164 -2.156 13.996 1.00 0.63 C ATOM 752 OD1 ASP A 54 -0.275 -1.793 14.795 1.00 0.65 O ATOM 753 OD2 ASP A 54 -1.997 -3.048 14.261 1.00 0.71 O ATOM 0 H ASP A 54 1.165 -0.997 12.967 1.00 0.45 H new ATOM 0 HA ASP A 54 -0.187 -3.086 11.670 1.00 0.50 H new ATOM 0 HB2 ASP A 54 -1.121 -0.407 12.764 1.00 0.58 H new ATOM 0 HB3 ASP A 54 -2.215 -1.654 12.201 1.00 0.58 H new ATOM 758 N LEU A 55 -0.248 -0.182 10.077 1.00 0.49 N ATOM 759 CA LEU A 55 -0.455 0.423 8.770 1.00 0.52 C ATOM 760 C LEU A 55 0.549 -0.152 7.776 1.00 0.46 C ATOM 761 O LEU A 55 0.223 -0.383 6.610 1.00 0.48 O ATOM 762 CB LEU A 55 -0.338 1.955 8.861 1.00 0.60 C ATOM 763 CG LEU A 55 1.030 2.553 8.506 1.00 0.86 C ATOM 764 CD1 LEU A 55 1.136 2.809 7.008 1.00 1.37 C ATOM 765 CD2 LEU A 55 1.263 3.841 9.281 1.00 1.69 C ATOM 0 H LEU A 55 0.035 0.472 10.807 1.00 0.49 H new ATOM 0 HA LEU A 55 -1.461 0.191 8.419 1.00 0.52 H new ATOM 0 HB2 LEU A 55 -1.086 2.395 8.201 1.00 0.60 H new ATOM 0 HB3 LEU A 55 -0.591 2.258 9.877 1.00 0.60 H new ATOM 0 HG LEU A 55 1.800 1.833 8.785 1.00 0.86 H new ATOM 0 HD11 LEU A 55 2.114 3.233 6.780 1.00 1.37 H new ATOM 0 HD12 LEU A 55 1.013 1.870 6.469 1.00 1.37 H new ATOM 0 HD13 LEU A 55 0.357 3.508 6.702 1.00 1.37 H new ATOM 0 HD21 LEU A 55 2.237 4.253 9.018 1.00 1.69 H new ATOM 0 HD22 LEU A 55 0.485 4.562 9.031 1.00 1.69 H new ATOM 0 HD23 LEU A 55 1.234 3.632 10.350 1.00 1.69 H new ATOM 777 N LYS A 56 1.772 -0.385 8.250 1.00 0.45 N ATOM 778 CA LYS A 56 2.814 -0.955 7.408 1.00 0.48 C ATOM 779 C LYS A 56 2.449 -2.383 7.027 1.00 0.44 C ATOM 780 O LYS A 56 2.873 -2.891 5.990 1.00 0.47 O ATOM 781 CB LYS A 56 4.165 -0.929 8.128 1.00 0.53 C ATOM 782 CG LYS A 56 5.310 -1.519 7.315 1.00 0.84 C ATOM 783 CD LYS A 56 5.505 -0.786 5.994 1.00 1.59 C ATOM 784 CE LYS A 56 5.899 0.668 6.209 1.00 2.49 C ATOM 785 NZ LYS A 56 6.105 1.383 4.919 1.00 3.41 N ATOM 0 H LYS A 56 2.061 -0.188 9.208 1.00 0.45 H new ATOM 0 HA LYS A 56 2.897 -0.354 6.502 1.00 0.48 H new ATOM 0 HB2 LYS A 56 4.409 0.102 8.385 1.00 0.53 H new ATOM 0 HB3 LYS A 56 4.077 -1.479 9.065 1.00 0.53 H new ATOM 0 HG2 LYS A 56 6.231 -1.471 7.896 1.00 0.84 H new ATOM 0 HG3 LYS A 56 5.111 -2.573 7.120 1.00 0.84 H new ATOM 0 HD2 LYS A 56 6.275 -1.289 5.409 1.00 1.59 H new ATOM 0 HD3 LYS A 56 4.584 -0.831 5.413 1.00 1.59 H new ATOM 0 HE2 LYS A 56 5.123 1.173 6.784 1.00 2.49 H new ATOM 0 HE3 LYS A 56 6.814 0.713 6.799 1.00 2.49 H new ATOM 0 HZ1 LYS A 56 6.372 2.370 5.108 1.00 3.41 H new ATOM 0 HZ2 LYS A 56 6.863 0.916 4.381 1.00 3.41 H new ATOM 0 HZ3 LYS A 56 5.224 1.362 4.366 1.00 3.41 H new ATOM 799 N ASP A 57 1.657 -3.025 7.884 1.00 0.42 N ATOM 800 CA ASP A 57 1.213 -4.388 7.642 1.00 0.44 C ATOM 801 C ASP A 57 0.259 -4.414 6.459 1.00 0.43 C ATOM 802 O ASP A 57 0.392 -5.238 5.554 1.00 0.46 O ATOM 803 CB ASP A 57 0.520 -4.953 8.881 1.00 0.49 C ATOM 804 CG ASP A 57 0.289 -6.449 8.785 1.00 1.12 C ATOM 805 OD1 ASP A 57 -0.780 -6.852 8.282 1.00 2.08 O ATOM 806 OD2 ASP A 57 1.177 -7.214 9.213 1.00 0.98 O ATOM 0 H ASP A 57 1.311 -2.618 8.753 1.00 0.42 H new ATOM 0 HA ASP A 57 2.083 -5.006 7.419 1.00 0.44 H new ATOM 0 HB2 ASP A 57 1.125 -4.738 9.762 1.00 0.49 H new ATOM 0 HB3 ASP A 57 -0.436 -4.449 9.020 1.00 0.49 H new ATOM 811 N LYS A 58 -0.711 -3.504 6.481 1.00 0.43 N ATOM 812 CA LYS A 58 -1.686 -3.400 5.402 1.00 0.46 C ATOM 813 C LYS A 58 -0.965 -3.188 4.075 1.00 0.45 C ATOM 814 O LYS A 58 -1.378 -3.709 3.040 1.00 0.48 O ATOM 815 CB LYS A 58 -2.658 -2.245 5.673 1.00 0.51 C ATOM 816 CG LYS A 58 -3.857 -2.213 4.735 1.00 1.15 C ATOM 817 CD LYS A 58 -3.555 -1.440 3.460 1.00 1.80 C ATOM 818 CE LYS A 58 -4.763 -1.397 2.537 1.00 2.25 C ATOM 819 NZ LYS A 58 -4.478 -0.646 1.284 1.00 3.01 N ATOM 0 H LYS A 58 -0.842 -2.829 7.234 1.00 0.43 H new ATOM 0 HA LYS A 58 -2.259 -4.326 5.349 1.00 0.46 H new ATOM 0 HB2 LYS A 58 -3.015 -2.317 6.700 1.00 0.51 H new ATOM 0 HB3 LYS A 58 -2.118 -1.302 5.589 1.00 0.51 H new ATOM 0 HG2 LYS A 58 -4.148 -3.232 4.482 1.00 1.15 H new ATOM 0 HG3 LYS A 58 -4.705 -1.757 5.245 1.00 1.15 H new ATOM 0 HD2 LYS A 58 -3.252 -0.424 3.712 1.00 1.80 H new ATOM 0 HD3 LYS A 58 -2.716 -1.904 2.942 1.00 1.80 H new ATOM 0 HE2 LYS A 58 -5.067 -2.414 2.289 1.00 2.25 H new ATOM 0 HE3 LYS A 58 -5.600 -0.932 3.057 1.00 2.25 H new ATOM 0 HZ1 LYS A 58 -5.326 -0.640 0.682 1.00 3.01 H new ATOM 0 HZ2 LYS A 58 -4.213 0.332 1.518 1.00 3.01 H new ATOM 0 HZ3 LYS A 58 -3.696 -1.105 0.775 1.00 3.01 H new ATOM 833 N TRP A 59 0.118 -2.418 4.124 1.00 0.42 N ATOM 834 CA TRP A 59 0.924 -2.141 2.942 1.00 0.42 C ATOM 835 C TRP A 59 1.640 -3.411 2.490 1.00 0.39 C ATOM 836 O TRP A 59 1.657 -3.744 1.304 1.00 0.43 O ATOM 837 CB TRP A 59 1.930 -1.025 3.258 1.00 0.44 C ATOM 838 CG TRP A 59 3.219 -1.106 2.495 1.00 0.36 C ATOM 839 CD1 TRP A 59 4.317 -1.847 2.822 1.00 0.28 C ATOM 840 CD2 TRP A 59 3.552 -0.404 1.292 1.00 0.47 C ATOM 841 NE1 TRP A 59 5.311 -1.653 1.893 1.00 0.34 N ATOM 842 CE2 TRP A 59 4.866 -0.773 0.945 1.00 0.45 C ATOM 843 CE3 TRP A 59 2.866 0.497 0.473 1.00 0.64 C ATOM 844 CZ2 TRP A 59 5.507 -0.270 -0.185 1.00 0.58 C ATOM 845 CZ3 TRP A 59 3.503 0.994 -0.648 1.00 0.75 C ATOM 846 CH2 TRP A 59 4.811 0.610 -0.967 1.00 0.72 C ATOM 0 H TRP A 59 0.458 -1.973 4.976 1.00 0.42 H new ATOM 0 HA TRP A 59 0.279 -1.808 2.129 1.00 0.42 H new ATOM 0 HB2 TRP A 59 1.461 -0.063 3.051 1.00 0.44 H new ATOM 0 HB3 TRP A 59 2.153 -1.048 4.325 1.00 0.44 H new ATOM 0 HD1 TRP A 59 4.394 -2.492 3.685 1.00 0.28 H new ATOM 0 HE1 TRP A 59 6.231 -2.094 1.908 1.00 0.34 H new ATOM 0 HE3 TRP A 59 1.857 0.799 0.712 1.00 0.64 H new ATOM 0 HZ2 TRP A 59 6.516 -0.564 -0.434 1.00 0.58 H new ATOM 0 HZ3 TRP A 59 2.983 1.691 -1.289 1.00 0.75 H new ATOM 0 HH2 TRP A 59 5.281 1.018 -1.850 1.00 0.72 H new ATOM 857 N LYS A 60 2.228 -4.110 3.453 1.00 0.36 N ATOM 858 CA LYS A 60 2.943 -5.352 3.187 1.00 0.35 C ATOM 859 C LYS A 60 2.018 -6.380 2.539 1.00 0.36 C ATOM 860 O LYS A 60 2.448 -7.184 1.711 1.00 0.38 O ATOM 861 CB LYS A 60 3.536 -5.899 4.496 1.00 0.37 C ATOM 862 CG LYS A 60 3.615 -7.418 4.572 1.00 0.91 C ATOM 863 CD LYS A 60 2.364 -8.010 5.206 1.00 1.11 C ATOM 864 CE LYS A 60 2.396 -9.529 5.198 1.00 0.88 C ATOM 865 NZ LYS A 60 1.182 -10.114 5.831 1.00 1.68 N ATOM 0 H LYS A 60 2.223 -3.834 4.435 1.00 0.36 H new ATOM 0 HA LYS A 60 3.756 -5.150 2.490 1.00 0.35 H new ATOM 0 HB2 LYS A 60 4.538 -5.490 4.624 1.00 0.37 H new ATOM 0 HB3 LYS A 60 2.935 -5.538 5.330 1.00 0.37 H new ATOM 0 HG2 LYS A 60 3.745 -7.827 3.570 1.00 0.91 H new ATOM 0 HG3 LYS A 60 4.491 -7.709 5.152 1.00 0.91 H new ATOM 0 HD2 LYS A 60 2.272 -7.653 6.232 1.00 1.11 H new ATOM 0 HD3 LYS A 60 1.483 -7.662 4.667 1.00 1.11 H new ATOM 0 HE2 LYS A 60 2.477 -9.885 4.171 1.00 0.88 H new ATOM 0 HE3 LYS A 60 3.284 -9.876 5.727 1.00 0.88 H new ATOM 0 HZ1 LYS A 60 1.049 -11.088 5.492 1.00 1.68 H new ATOM 0 HZ2 LYS A 60 1.298 -10.120 6.864 1.00 1.68 H new ATOM 0 HZ3 LYS A 60 0.350 -9.543 5.579 1.00 1.68 H new ATOM 879 N THR A 61 0.746 -6.342 2.919 1.00 0.36 N ATOM 880 CA THR A 61 -0.243 -7.268 2.380 1.00 0.40 C ATOM 881 C THR A 61 -0.789 -6.741 1.061 1.00 0.46 C ATOM 882 O THR A 61 -1.221 -7.504 0.198 1.00 0.53 O ATOM 883 CB THR A 61 -1.411 -7.482 3.363 1.00 0.42 C ATOM 884 OG1 THR A 61 -0.909 -7.926 4.629 1.00 1.20 O ATOM 885 CG2 THR A 61 -2.401 -8.502 2.821 1.00 1.00 C ATOM 0 H THR A 61 0.375 -5.679 3.599 1.00 0.36 H new ATOM 0 HA THR A 61 0.255 -8.225 2.220 1.00 0.40 H new ATOM 0 HB THR A 61 -1.928 -6.531 3.488 1.00 0.42 H new ATOM 0 HG1 THR A 61 -0.564 -7.159 5.132 1.00 1.20 H new ATOM 0 HG21 THR A 61 -3.215 -8.634 3.534 1.00 1.00 H new ATOM 0 HG22 THR A 61 -2.804 -8.149 1.872 1.00 1.00 H new ATOM 0 HG23 THR A 61 -1.895 -9.455 2.668 1.00 1.00 H new ATOM 893 N LEU A 62 -0.755 -5.424 0.923 1.00 0.45 N ATOM 894 CA LEU A 62 -1.227 -4.757 -0.280 1.00 0.53 C ATOM 895 C LEU A 62 -0.317 -5.078 -1.464 1.00 0.53 C ATOM 896 O LEU A 62 -0.776 -5.196 -2.599 1.00 0.63 O ATOM 897 CB LEU A 62 -1.287 -3.248 -0.021 1.00 0.57 C ATOM 898 CG LEU A 62 -0.916 -2.344 -1.196 1.00 0.60 C ATOM 899 CD1 LEU A 62 -2.028 -2.326 -2.233 1.00 0.99 C ATOM 900 CD2 LEU A 62 -0.622 -0.940 -0.693 1.00 1.34 C ATOM 0 H LEU A 62 -0.401 -4.790 1.639 1.00 0.45 H new ATOM 0 HA LEU A 62 -2.226 -5.115 -0.531 1.00 0.53 H new ATOM 0 HB2 LEU A 62 -2.298 -2.996 0.299 1.00 0.57 H new ATOM 0 HB3 LEU A 62 -0.622 -3.017 0.811 1.00 0.57 H new ATOM 0 HG LEU A 62 -0.020 -2.739 -1.675 1.00 0.60 H new ATOM 0 HD11 LEU A 62 -1.743 -1.676 -3.061 1.00 0.99 H new ATOM 0 HD12 LEU A 62 -2.194 -3.337 -2.606 1.00 0.99 H new ATOM 0 HD13 LEU A 62 -2.945 -1.952 -1.777 1.00 0.99 H new ATOM 0 HD21 LEU A 62 -0.358 -0.300 -1.535 1.00 1.34 H new ATOM 0 HD22 LEU A 62 -1.505 -0.539 -0.195 1.00 1.34 H new ATOM 0 HD23 LEU A 62 0.208 -0.973 0.012 1.00 1.34 H new ATOM 912 N VAL A 63 0.976 -5.220 -1.185 1.00 0.45 N ATOM 913 CA VAL A 63 1.954 -5.531 -2.221 1.00 0.46 C ATOM 914 C VAL A 63 2.112 -7.039 -2.396 1.00 0.48 C ATOM 915 O VAL A 63 2.383 -7.519 -3.498 1.00 0.56 O ATOM 916 CB VAL A 63 3.329 -4.914 -1.902 1.00 0.43 C ATOM 917 CG1 VAL A 63 3.245 -3.396 -1.892 1.00 0.48 C ATOM 918 CG2 VAL A 63 3.855 -5.434 -0.572 1.00 0.37 C ATOM 0 H VAL A 63 1.370 -5.124 -0.249 1.00 0.45 H new ATOM 0 HA VAL A 63 1.578 -5.099 -3.148 1.00 0.46 H new ATOM 0 HB VAL A 63 4.028 -5.211 -2.684 1.00 0.43 H new ATOM 0 HG11 VAL A 63 4.226 -2.979 -1.665 1.00 0.48 H new ATOM 0 HG12 VAL A 63 2.918 -3.043 -2.870 1.00 0.48 H new ATOM 0 HG13 VAL A 63 2.530 -3.076 -1.134 1.00 0.48 H new ATOM 0 HG21 VAL A 63 4.827 -4.986 -0.365 1.00 0.37 H new ATOM 0 HG22 VAL A 63 3.157 -5.171 0.223 1.00 0.37 H new ATOM 0 HG23 VAL A 63 3.958 -6.518 -0.620 1.00 0.37 H new ATOM 928 N HIS A 64 1.942 -7.782 -1.306 1.00 0.45 N ATOM 929 CA HIS A 64 2.069 -9.233 -1.341 1.00 0.50 C ATOM 930 C HIS A 64 0.913 -9.862 -2.114 1.00 0.56 C ATOM 931 O HIS A 64 1.098 -10.832 -2.849 1.00 0.60 O ATOM 932 CB HIS A 64 2.119 -9.794 0.082 1.00 0.55 C ATOM 933 CG HIS A 64 2.072 -11.288 0.140 1.00 0.67 C ATOM 934 ND1 HIS A 64 3.182 -12.086 -0.039 1.00 1.20 N ATOM 935 CD2 HIS A 64 1.036 -12.130 0.362 1.00 0.97 C ATOM 936 CE1 HIS A 64 2.831 -13.355 0.068 1.00 1.52 C ATOM 937 NE2 HIS A 64 1.534 -13.409 0.312 1.00 1.26 N ATOM 0 H HIS A 64 1.716 -7.401 -0.387 1.00 0.45 H new ATOM 0 HA HIS A 64 2.998 -9.482 -1.853 1.00 0.50 H new ATOM 0 HB2 HIS A 64 3.032 -9.449 0.568 1.00 0.55 H new ATOM 0 HB3 HIS A 64 1.282 -9.390 0.652 1.00 0.55 H new ATOM 0 HD2 HIS A 64 0.009 -11.849 0.544 1.00 0.97 H new ATOM 0 HE1 HIS A 64 3.492 -14.204 -0.028 1.00 1.52 H new ATOM 0 HE2 HIS A 64 0.990 -14.262 0.442 1.00 1.26 H new ATOM 946 N THR A 65 -0.278 -9.303 -1.940 1.00 0.59 N ATOM 947 CA THR A 65 -1.469 -9.803 -2.617 1.00 0.68 C ATOM 948 C THR A 65 -1.507 -9.341 -4.071 1.00 0.66 C ATOM 949 O THR A 65 -2.238 -9.897 -4.891 1.00 0.71 O ATOM 950 CB THR A 65 -2.755 -9.344 -1.901 1.00 0.78 C ATOM 951 OG1 THR A 65 -2.678 -9.666 -0.508 1.00 1.47 O ATOM 952 CG2 THR A 65 -3.985 -10.005 -2.508 1.00 1.74 C ATOM 0 H THR A 65 -0.446 -8.500 -1.334 1.00 0.59 H new ATOM 0 HA THR A 65 -1.420 -10.892 -2.589 1.00 0.68 H new ATOM 0 HB THR A 65 -2.845 -8.265 -2.025 1.00 0.78 H new ATOM 0 HG1 THR A 65 -2.048 -9.059 -0.066 1.00 1.47 H new ATOM 0 HG21 THR A 65 -4.878 -9.663 -1.984 1.00 1.74 H new ATOM 0 HG22 THR A 65 -4.059 -9.738 -3.562 1.00 1.74 H new ATOM 0 HG23 THR A 65 -3.901 -11.088 -2.413 1.00 1.74 H new ATOM 960 N ALA A 66 -0.712 -8.319 -4.380 1.00 0.61 N ATOM 961 CA ALA A 66 -0.651 -7.773 -5.732 1.00 0.62 C ATOM 962 C ALA A 66 -0.431 -8.872 -6.767 1.00 0.64 C ATOM 963 O ALA A 66 -1.352 -9.239 -7.498 1.00 0.63 O ATOM 964 CB ALA A 66 0.448 -6.725 -5.829 1.00 0.64 C ATOM 0 H ALA A 66 -0.100 -7.852 -3.710 1.00 0.61 H new ATOM 0 HA ALA A 66 -1.610 -7.301 -5.946 1.00 0.62 H new ATOM 0 HB1 ALA A 66 0.482 -6.326 -6.843 1.00 0.64 H new ATOM 0 HB2 ALA A 66 0.242 -5.916 -5.128 1.00 0.64 H new ATOM 0 HB3 ALA A 66 1.408 -7.181 -5.586 1.00 0.64 H new ATOM 970 N LYS A 67 0.791 -9.395 -6.828 1.00 0.70 N ATOM 971 CA LYS A 67 1.118 -10.452 -7.778 1.00 0.76 C ATOM 972 C LYS A 67 2.393 -11.187 -7.374 1.00 0.87 C ATOM 973 O LYS A 67 3.027 -11.846 -8.199 1.00 0.98 O ATOM 974 CB LYS A 67 1.270 -9.877 -9.191 1.00 0.80 C ATOM 975 CG LYS A 67 2.465 -8.946 -9.360 1.00 1.12 C ATOM 976 CD LYS A 67 2.215 -7.585 -8.730 1.00 1.86 C ATOM 977 CE LYS A 67 3.384 -6.639 -8.963 1.00 2.50 C ATOM 978 NZ LYS A 67 3.142 -5.299 -8.360 1.00 3.49 N ATOM 0 H LYS A 67 1.567 -9.105 -6.233 1.00 0.70 H new ATOM 0 HA LYS A 67 0.296 -11.168 -7.772 1.00 0.76 H new ATOM 0 HB2 LYS A 67 1.362 -10.701 -9.899 1.00 0.80 H new ATOM 0 HB3 LYS A 67 0.361 -9.334 -9.450 1.00 0.80 H new ATOM 0 HG2 LYS A 67 3.346 -9.400 -8.907 1.00 1.12 H new ATOM 0 HG3 LYS A 67 2.681 -8.821 -10.421 1.00 1.12 H new ATOM 0 HD2 LYS A 67 1.306 -7.151 -9.147 1.00 1.86 H new ATOM 0 HD3 LYS A 67 2.049 -7.704 -7.659 1.00 1.86 H new ATOM 0 HE2 LYS A 67 4.290 -7.070 -8.538 1.00 2.50 H new ATOM 0 HE3 LYS A 67 3.555 -6.530 -10.034 1.00 2.50 H new ATOM 0 HZ1 LYS A 67 3.961 -4.684 -8.541 1.00 3.49 H new ATOM 0 HZ2 LYS A 67 2.292 -4.876 -8.784 1.00 3.49 H new ATOM 0 HZ3 LYS A 67 3.004 -5.400 -7.334 1.00 3.49 H new ATOM 992 N ILE A 68 2.760 -11.074 -6.102 1.00 0.88 N ATOM 993 CA ILE A 68 3.954 -11.736 -5.593 1.00 1.02 C ATOM 994 C ILE A 68 3.855 -13.248 -5.778 1.00 1.10 C ATOM 995 O ILE A 68 4.866 -13.934 -5.925 1.00 1.25 O ATOM 996 CB ILE A 68 4.181 -11.411 -4.100 1.00 1.02 C ATOM 997 CG1 ILE A 68 4.408 -9.906 -3.912 1.00 1.02 C ATOM 998 CG2 ILE A 68 5.358 -12.204 -3.545 1.00 1.19 C ATOM 999 CD1 ILE A 68 5.625 -9.372 -4.640 1.00 1.20 C ATOM 0 H ILE A 68 2.248 -10.531 -5.406 1.00 0.88 H new ATOM 0 HA ILE A 68 4.803 -11.361 -6.164 1.00 1.02 H new ATOM 0 HB ILE A 68 3.288 -11.700 -3.546 1.00 1.02 H new ATOM 0 HG12 ILE A 68 3.525 -9.369 -4.259 1.00 1.02 H new ATOM 0 HG13 ILE A 68 4.512 -9.694 -2.848 1.00 1.02 H new ATOM 0 HG21 ILE A 68 5.498 -11.958 -2.492 1.00 1.19 H new ATOM 0 HG22 ILE A 68 5.158 -13.271 -3.645 1.00 1.19 H new ATOM 0 HG23 ILE A 68 6.261 -11.951 -4.100 1.00 1.19 H new ATOM 0 HD11 ILE A 68 5.717 -8.301 -4.458 1.00 1.20 H new ATOM 0 HD12 ILE A 68 6.518 -9.880 -4.277 1.00 1.20 H new ATOM 0 HD13 ILE A 68 5.516 -9.550 -5.710 1.00 1.20 H new ATOM 1011 N SER A 69 2.623 -13.756 -5.785 1.00 1.06 N ATOM 1012 CA SER A 69 2.375 -15.186 -5.958 1.00 1.22 C ATOM 1013 C SER A 69 3.157 -16.020 -4.942 1.00 1.28 C ATOM 1014 O SER A 69 4.312 -16.372 -5.179 1.00 1.38 O ATOM 1015 CB SER A 69 2.743 -15.617 -7.378 1.00 1.37 C ATOM 1016 OG SER A 69 1.976 -14.914 -8.341 1.00 1.79 O ATOM 0 H SER A 69 1.778 -13.195 -5.672 1.00 1.06 H new ATOM 0 HA SER A 69 1.312 -15.360 -5.790 1.00 1.22 H new ATOM 0 HB2 SER A 69 3.804 -15.437 -7.552 1.00 1.37 H new ATOM 0 HB3 SER A 69 2.579 -16.689 -7.490 1.00 1.37 H new ATOM 0 HG SER A 69 2.245 -13.972 -8.349 1.00 1.79 H new ATOM 1022 N PRO A 70 2.543 -16.341 -3.786 1.00 1.28 N ATOM 1023 CA PRO A 70 3.185 -17.144 -2.744 1.00 1.37 C ATOM 1024 C PRO A 70 3.179 -18.631 -3.085 1.00 1.52 C ATOM 1025 O PRO A 70 3.760 -19.446 -2.367 1.00 1.58 O ATOM 1026 CB PRO A 70 2.328 -16.884 -1.494 1.00 1.41 C ATOM 1027 CG PRO A 70 1.291 -15.880 -1.897 1.00 1.31 C ATOM 1028 CD PRO A 70 1.186 -15.951 -3.394 1.00 1.27 C ATOM 0 HA PRO A 70 4.233 -16.874 -2.616 1.00 1.37 H new ATOM 0 HB2 PRO A 70 1.862 -17.805 -1.143 1.00 1.41 H new ATOM 0 HB3 PRO A 70 2.939 -16.504 -0.675 1.00 1.41 H new ATOM 0 HG2 PRO A 70 0.332 -16.104 -1.430 1.00 1.31 H new ATOM 0 HG3 PRO A 70 1.576 -14.878 -1.575 1.00 1.31 H new ATOM 0 HD2 PRO A 70 0.444 -16.682 -3.715 1.00 1.27 H new ATOM 0 HD3 PRO A 70 0.897 -14.993 -3.827 1.00 1.27 H new ATOM 1036 N GLN A 71 2.518 -18.977 -4.186 1.00 1.70 N ATOM 1037 CA GLN A 71 2.419 -20.366 -4.621 1.00 1.92 C ATOM 1038 C GLN A 71 3.325 -20.640 -5.821 1.00 2.30 C ATOM 1039 O GLN A 71 3.048 -21.530 -6.626 1.00 2.73 O ATOM 1040 CB GLN A 71 0.970 -20.705 -4.979 1.00 2.05 C ATOM 1041 CG GLN A 71 0.000 -20.529 -3.821 1.00 2.42 C ATOM 1042 CD GLN A 71 0.328 -21.428 -2.643 1.00 2.67 C ATOM 1043 OE1 GLN A 71 -0.153 -22.557 -2.556 1.00 3.37 O ATOM 1044 NE2 GLN A 71 1.150 -20.927 -1.728 1.00 2.79 N ATOM 0 H GLN A 71 2.042 -18.312 -4.795 1.00 1.70 H new ATOM 0 HA GLN A 71 2.747 -20.998 -3.795 1.00 1.92 H new ATOM 0 HB2 GLN A 71 0.652 -20.073 -5.808 1.00 2.05 H new ATOM 0 HB3 GLN A 71 0.923 -21.736 -5.328 1.00 2.05 H new ATOM 0 HG2 GLN A 71 0.014 -19.489 -3.495 1.00 2.42 H new ATOM 0 HG3 GLN A 71 -1.012 -20.741 -4.164 1.00 2.42 H new ATOM 0 HE21 GLN A 71 1.526 -19.985 -1.841 1.00 2.79 H new ATOM 0 HE22 GLN A 71 1.406 -21.484 -0.913 1.00 2.79 H new ATOM 1053 N GLN A 72 4.411 -19.879 -5.931 1.00 2.34 N ATOM 1054 CA GLN A 72 5.354 -20.050 -7.036 1.00 2.83 C ATOM 1055 C GLN A 72 6.045 -21.410 -6.973 1.00 2.74 C ATOM 1056 O GLN A 72 6.897 -21.720 -7.807 1.00 3.23 O ATOM 1057 CB GLN A 72 6.399 -18.933 -7.023 1.00 3.39 C ATOM 1058 CG GLN A 72 5.880 -17.609 -7.557 1.00 3.27 C ATOM 1059 CD GLN A 72 6.921 -16.507 -7.500 1.00 3.83 C ATOM 1060 OE1 GLN A 72 7.679 -16.303 -8.447 1.00 4.29 O ATOM 1061 NE2 GLN A 72 6.963 -15.791 -6.383 1.00 4.19 N ATOM 0 H GLN A 72 4.660 -19.141 -5.273 1.00 2.34 H new ATOM 0 HA GLN A 72 4.787 -20.000 -7.966 1.00 2.83 H new ATOM 0 HB2 GLN A 72 6.753 -18.790 -6.002 1.00 3.39 H new ATOM 0 HB3 GLN A 72 7.258 -19.244 -7.618 1.00 3.39 H new ATOM 0 HG2 GLN A 72 5.553 -17.741 -8.588 1.00 3.27 H new ATOM 0 HG3 GLN A 72 5.005 -17.307 -6.981 1.00 3.27 H new ATOM 0 HE21 GLN A 72 6.315 -15.995 -5.622 1.00 4.19 H new ATOM 0 HE22 GLN A 72 7.643 -15.037 -6.286 1.00 4.19 H new ATOM 1070 N ARG A 73 5.676 -22.219 -5.980 1.00 2.44 N ATOM 1071 CA ARG A 73 6.254 -23.550 -5.813 1.00 2.80 C ATOM 1072 C ARG A 73 7.762 -23.460 -5.588 1.00 3.10 C ATOM 1073 O ARG A 73 8.272 -22.422 -5.166 1.00 3.65 O ATOM 1074 CB ARG A 73 5.945 -24.415 -7.041 1.00 3.27 C ATOM 1075 CG ARG A 73 5.810 -25.898 -6.728 1.00 3.95 C ATOM 1076 CD ARG A 73 5.537 -26.708 -7.986 1.00 4.58 C ATOM 1077 NE ARG A 73 6.617 -26.585 -8.963 1.00 4.58 N ATOM 1078 CZ ARG A 73 6.586 -27.135 -10.173 1.00 5.28 C ATOM 1079 NH1 ARG A 73 5.531 -27.842 -10.557 1.00 5.94 N ATOM 1080 NH2 ARG A 73 7.611 -26.977 -11.001 1.00 5.61 N ATOM 0 H ARG A 73 4.978 -21.974 -5.278 1.00 2.44 H new ATOM 0 HA ARG A 73 5.807 -24.015 -4.934 1.00 2.80 H new ATOM 0 HB2 ARG A 73 5.020 -24.064 -7.498 1.00 3.27 H new ATOM 0 HB3 ARG A 73 6.736 -24.279 -7.778 1.00 3.27 H new ATOM 0 HG2 ARG A 73 6.724 -26.256 -6.254 1.00 3.95 H new ATOM 0 HG3 ARG A 73 5.001 -26.048 -6.014 1.00 3.95 H new ATOM 0 HD2 ARG A 73 5.407 -27.757 -7.720 1.00 4.58 H new ATOM 0 HD3 ARG A 73 4.602 -26.375 -8.436 1.00 4.58 H new ATOM 0 HE ARG A 73 7.442 -26.046 -8.701 1.00 4.58 H new ATOM 0 HH11 ARG A 73 4.741 -27.965 -9.923 1.00 5.94 H new ATOM 0 HH12 ARG A 73 5.510 -28.263 -11.486 1.00 5.94 H new ATOM 0 HH21 ARG A 73 8.423 -26.433 -10.709 1.00 5.61 H new ATOM 0 HH22 ARG A 73 7.587 -27.399 -11.929 1.00 5.61 H new ATOM 1094 N ARG A 74 8.471 -24.556 -5.865 1.00 3.30 N ATOM 1095 CA ARG A 74 9.920 -24.603 -5.690 1.00 3.96 C ATOM 1096 C ARG A 74 10.302 -24.374 -4.232 1.00 3.74 C ATOM 1097 O ARG A 74 9.438 -24.305 -3.358 1.00 4.30 O ATOM 1098 CB ARG A 74 10.603 -23.561 -6.580 1.00 4.80 C ATOM 1099 CG ARG A 74 10.354 -23.770 -8.065 1.00 5.10 C ATOM 1100 CD ARG A 74 11.046 -22.707 -8.901 1.00 6.17 C ATOM 1101 NE ARG A 74 12.492 -22.698 -8.686 1.00 6.97 N ATOM 1102 CZ ARG A 74 13.311 -21.795 -9.218 1.00 8.07 C ATOM 1103 NH1 ARG A 74 12.831 -20.831 -9.991 1.00 8.51 N ATOM 1104 NH2 ARG A 74 14.614 -21.856 -8.975 1.00 8.91 N ATOM 0 H ARG A 74 8.062 -25.424 -6.212 1.00 3.30 H new ATOM 0 HA ARG A 74 10.260 -25.596 -5.984 1.00 3.96 H new ATOM 0 HB2 ARG A 74 10.252 -22.568 -6.298 1.00 4.80 H new ATOM 0 HB3 ARG A 74 11.677 -23.584 -6.394 1.00 4.80 H new ATOM 0 HG2 ARG A 74 10.712 -24.756 -8.360 1.00 5.10 H new ATOM 0 HG3 ARG A 74 9.282 -23.748 -8.262 1.00 5.10 H new ATOM 0 HD2 ARG A 74 10.837 -22.883 -9.956 1.00 6.17 H new ATOM 0 HD3 ARG A 74 10.636 -21.728 -8.654 1.00 6.17 H new ATOM 0 HE ARG A 74 12.895 -23.425 -8.095 1.00 6.97 H new ATOM 0 HH11 ARG A 74 11.830 -20.780 -10.180 1.00 8.51 H new ATOM 0 HH12 ARG A 74 13.463 -20.141 -10.397 1.00 8.51 H new ATOM 0 HH21 ARG A 74 14.988 -22.595 -8.380 1.00 8.91 H new ATOM 0 HH22 ARG A 74 15.242 -21.163 -9.383 1.00 8.91 H new ATOM 1118 N GLY A 75 11.602 -24.263 -3.975 1.00 3.39 N ATOM 1119 CA GLY A 75 12.077 -24.044 -2.621 1.00 3.56 C ATOM 1120 C GLY A 75 11.636 -22.706 -2.061 1.00 3.35 C ATOM 1121 O GLY A 75 12.348 -21.709 -2.186 1.00 3.71 O ATOM 0 H GLY A 75 12.335 -24.321 -4.681 1.00 3.39 H new ATOM 0 HA2 GLY A 75 11.710 -24.843 -1.977 1.00 3.56 H new ATOM 0 HA3 GLY A 75 13.166 -24.099 -2.608 1.00 3.56 H new ATOM 1125 N GLU A 76 10.460 -22.686 -1.441 1.00 3.11 N ATOM 1126 CA GLU A 76 9.923 -21.460 -0.860 1.00 3.02 C ATOM 1127 C GLU A 76 8.805 -21.773 0.134 1.00 2.39 C ATOM 1128 O GLU A 76 7.628 -21.788 -0.231 1.00 2.73 O ATOM 1129 CB GLU A 76 9.398 -20.536 -1.962 1.00 3.96 C ATOM 1130 CG GLU A 76 8.889 -19.201 -1.447 1.00 4.50 C ATOM 1131 CD GLU A 76 8.350 -18.316 -2.556 1.00 5.40 C ATOM 1132 OE1 GLU A 76 9.157 -17.609 -3.194 1.00 5.92 O ATOM 1133 OE2 GLU A 76 7.123 -18.330 -2.783 1.00 5.85 O ATOM 0 H GLU A 76 9.861 -23.504 -1.328 1.00 3.11 H new ATOM 0 HA GLU A 76 10.729 -20.956 -0.326 1.00 3.02 H new ATOM 0 HB2 GLU A 76 10.195 -20.357 -2.684 1.00 3.96 H new ATOM 0 HB3 GLU A 76 8.592 -21.041 -2.495 1.00 3.96 H new ATOM 0 HG2 GLU A 76 8.104 -19.375 -0.711 1.00 4.50 H new ATOM 0 HG3 GLU A 76 9.698 -18.682 -0.933 1.00 4.50 H new ATOM 1140 N PRO A 77 9.158 -22.040 1.406 1.00 1.80 N ATOM 1141 CA PRO A 77 8.173 -22.349 2.446 1.00 1.56 C ATOM 1142 C PRO A 77 7.363 -21.124 2.859 1.00 1.36 C ATOM 1143 O PRO A 77 6.265 -20.892 2.352 1.00 1.70 O ATOM 1144 CB PRO A 77 9.027 -22.842 3.616 1.00 1.72 C ATOM 1145 CG PRO A 77 10.360 -22.206 3.412 1.00 1.90 C ATOM 1146 CD PRO A 77 10.540 -22.075 1.923 1.00 1.99 C ATOM 0 HA PRO A 77 7.437 -23.077 2.103 1.00 1.56 H new ATOM 0 HB2 PRO A 77 8.593 -22.551 4.572 1.00 1.72 H new ATOM 0 HB3 PRO A 77 9.104 -23.929 3.618 1.00 1.72 H new ATOM 0 HG2 PRO A 77 10.404 -21.231 3.897 1.00 1.90 H new ATOM 0 HG3 PRO A 77 11.152 -22.815 3.848 1.00 1.90 H new ATOM 0 HD2 PRO A 77 11.088 -21.169 1.664 1.00 1.99 H new ATOM 0 HD3 PRO A 77 11.100 -22.915 1.512 1.00 1.99 H new ATOM 1154 N VAL A 78 7.914 -20.343 3.781 1.00 1.09 N ATOM 1155 CA VAL A 78 7.252 -19.138 4.262 1.00 0.93 C ATOM 1156 C VAL A 78 7.601 -17.936 3.380 1.00 0.74 C ATOM 1157 O VAL A 78 8.769 -17.728 3.048 1.00 0.70 O ATOM 1158 CB VAL A 78 7.649 -18.827 5.719 1.00 1.02 C ATOM 1159 CG1 VAL A 78 6.896 -17.610 6.238 1.00 1.77 C ATOM 1160 CG2 VAL A 78 7.398 -20.035 6.609 1.00 1.82 C ATOM 0 H VAL A 78 8.821 -20.524 4.211 1.00 1.09 H new ATOM 0 HA VAL A 78 6.178 -19.320 4.218 1.00 0.93 H new ATOM 0 HB VAL A 78 8.715 -18.599 5.741 1.00 1.02 H new ATOM 0 HG11 VAL A 78 7.193 -17.410 7.268 1.00 1.77 H new ATOM 0 HG12 VAL A 78 7.131 -16.745 5.618 1.00 1.77 H new ATOM 0 HG13 VAL A 78 5.824 -17.802 6.200 1.00 1.77 H new ATOM 0 HG21 VAL A 78 7.684 -19.798 7.634 1.00 1.82 H new ATOM 0 HG22 VAL A 78 6.340 -20.296 6.579 1.00 1.82 H new ATOM 0 HG23 VAL A 78 7.990 -20.878 6.253 1.00 1.82 H new ATOM 1170 N PRO A 79 6.596 -17.127 2.985 1.00 0.69 N ATOM 1171 CA PRO A 79 6.819 -15.949 2.141 1.00 0.56 C ATOM 1172 C PRO A 79 7.532 -14.828 2.890 1.00 0.53 C ATOM 1173 O PRO A 79 6.903 -14.033 3.588 1.00 0.59 O ATOM 1174 CB PRO A 79 5.403 -15.505 1.740 1.00 0.69 C ATOM 1175 CG PRO A 79 4.495 -16.615 2.157 1.00 1.05 C ATOM 1176 CD PRO A 79 5.173 -17.294 3.310 1.00 0.88 C ATOM 0 HA PRO A 79 7.459 -16.182 1.290 1.00 0.56 H new ATOM 0 HB2 PRO A 79 5.132 -14.572 2.233 1.00 0.69 H new ATOM 0 HB3 PRO A 79 5.338 -15.329 0.666 1.00 0.69 H new ATOM 0 HG2 PRO A 79 3.518 -16.230 2.450 1.00 1.05 H new ATOM 0 HG3 PRO A 79 4.329 -17.313 1.336 1.00 1.05 H new ATOM 0 HD2 PRO A 79 4.917 -16.829 4.262 1.00 0.88 H new ATOM 0 HD3 PRO A 79 4.894 -18.345 3.383 1.00 0.88 H new ATOM 1184 N GLN A 80 8.855 -14.782 2.754 1.00 0.50 N ATOM 1185 CA GLN A 80 9.664 -13.760 3.414 1.00 0.52 C ATOM 1186 C GLN A 80 9.951 -12.599 2.472 1.00 0.45 C ATOM 1187 O GLN A 80 10.211 -11.478 2.913 1.00 0.47 O ATOM 1188 CB GLN A 80 10.980 -14.366 3.903 1.00 0.60 C ATOM 1189 CG GLN A 80 10.819 -15.317 5.078 1.00 1.11 C ATOM 1190 CD GLN A 80 10.487 -14.604 6.376 1.00 1.46 C ATOM 1191 OE1 GLN A 80 9.855 -13.547 6.375 1.00 2.18 O ATOM 1192 NE2 GLN A 80 10.913 -15.181 7.493 1.00 2.00 N ATOM 0 H GLN A 80 9.391 -15.442 2.191 1.00 0.50 H new ATOM 0 HA GLN A 80 9.101 -13.381 4.267 1.00 0.52 H new ATOM 0 HB2 GLN A 80 11.452 -14.899 3.078 1.00 0.60 H new ATOM 0 HB3 GLN A 80 11.656 -13.560 4.190 1.00 0.60 H new ATOM 0 HG2 GLN A 80 10.030 -16.035 4.852 1.00 1.11 H new ATOM 0 HG3 GLN A 80 11.740 -15.885 5.207 1.00 1.11 H new ATOM 0 HE21 GLN A 80 11.433 -16.057 7.448 1.00 2.00 H new ATOM 0 HE22 GLN A 80 10.720 -14.748 8.396 1.00 2.00 H new ATOM 1201 N GLU A 81 9.906 -12.882 1.175 1.00 0.40 N ATOM 1202 CA GLU A 81 10.161 -11.872 0.153 1.00 0.40 C ATOM 1203 C GLU A 81 9.381 -10.589 0.424 1.00 0.36 C ATOM 1204 O GLU A 81 9.887 -9.490 0.200 1.00 0.40 O ATOM 1205 CB GLU A 81 9.793 -12.416 -1.228 1.00 0.45 C ATOM 1206 CG GLU A 81 10.710 -13.529 -1.707 1.00 0.54 C ATOM 1207 CD GLU A 81 10.355 -14.018 -3.097 1.00 1.18 C ATOM 1208 OE1 GLU A 81 9.476 -14.897 -3.212 1.00 1.53 O ATOM 1209 OE2 GLU A 81 10.957 -13.520 -4.073 1.00 1.84 O ATOM 0 H GLU A 81 9.694 -13.808 0.804 1.00 0.40 H new ATOM 0 HA GLU A 81 11.224 -11.634 0.182 1.00 0.40 H new ATOM 0 HB2 GLU A 81 8.768 -12.787 -1.202 1.00 0.45 H new ATOM 0 HB3 GLU A 81 9.819 -11.600 -1.950 1.00 0.45 H new ATOM 0 HG2 GLU A 81 11.740 -13.173 -1.703 1.00 0.54 H new ATOM 0 HG3 GLU A 81 10.658 -14.364 -1.008 1.00 0.54 H new ATOM 1216 N LEU A 82 8.150 -10.733 0.906 1.00 0.34 N ATOM 1217 CA LEU A 82 7.309 -9.577 1.202 1.00 0.34 C ATOM 1218 C LEU A 82 7.952 -8.684 2.261 1.00 0.34 C ATOM 1219 O LEU A 82 8.092 -7.480 2.060 1.00 0.45 O ATOM 1220 CB LEU A 82 5.913 -10.022 1.649 1.00 0.37 C ATOM 1221 CG LEU A 82 5.874 -11.013 2.813 1.00 0.75 C ATOM 1222 CD1 LEU A 82 5.616 -10.290 4.125 1.00 1.25 C ATOM 1223 CD2 LEU A 82 4.811 -12.072 2.574 1.00 1.50 C ATOM 0 H LEU A 82 7.714 -11.635 1.099 1.00 0.34 H new ATOM 0 HA LEU A 82 7.209 -8.995 0.286 1.00 0.34 H new ATOM 0 HB2 LEU A 82 5.342 -9.137 1.930 1.00 0.37 H new ATOM 0 HB3 LEU A 82 5.405 -10.471 0.796 1.00 0.37 H new ATOM 0 HG LEU A 82 6.845 -11.504 2.877 1.00 0.75 H new ATOM 0 HD11 LEU A 82 5.592 -11.013 4.940 1.00 1.25 H new ATOM 0 HD12 LEU A 82 6.412 -9.567 4.305 1.00 1.25 H new ATOM 0 HD13 LEU A 82 4.659 -9.771 4.072 1.00 1.25 H new ATOM 0 HD21 LEU A 82 4.797 -12.769 3.412 1.00 1.50 H new ATOM 0 HD22 LEU A 82 3.836 -11.594 2.483 1.00 1.50 H new ATOM 0 HD23 LEU A 82 5.037 -12.614 1.655 1.00 1.50 H new ATOM 1235 N LEU A 83 8.349 -9.275 3.384 1.00 0.32 N ATOM 1236 CA LEU A 83 8.975 -8.517 4.462 1.00 0.36 C ATOM 1237 C LEU A 83 10.303 -7.920 4.010 1.00 0.32 C ATOM 1238 O LEU A 83 10.706 -6.854 4.474 1.00 0.32 O ATOM 1239 CB LEU A 83 9.200 -9.406 5.690 1.00 0.47 C ATOM 1240 CG LEU A 83 8.005 -9.524 6.641 1.00 0.58 C ATOM 1241 CD1 LEU A 83 8.292 -10.548 7.728 1.00 0.69 C ATOM 1242 CD2 LEU A 83 7.677 -8.171 7.258 1.00 0.74 C ATOM 0 H LEU A 83 8.249 -10.273 3.571 1.00 0.32 H new ATOM 0 HA LEU A 83 8.300 -7.705 4.731 1.00 0.36 H new ATOM 0 HB2 LEU A 83 9.472 -10.405 5.350 1.00 0.47 H new ATOM 0 HB3 LEU A 83 10.051 -9.017 6.249 1.00 0.47 H new ATOM 0 HG LEU A 83 7.140 -9.859 6.068 1.00 0.58 H new ATOM 0 HD11 LEU A 83 7.433 -10.620 8.396 1.00 0.69 H new ATOM 0 HD12 LEU A 83 8.480 -11.520 7.272 1.00 0.69 H new ATOM 0 HD13 LEU A 83 9.169 -10.239 8.297 1.00 0.69 H new ATOM 0 HD21 LEU A 83 6.826 -8.275 7.931 1.00 0.74 H new ATOM 0 HD22 LEU A 83 8.539 -7.808 7.817 1.00 0.74 H new ATOM 0 HD23 LEU A 83 7.431 -7.461 6.468 1.00 0.74 H new ATOM 1254 N ASN A 84 10.974 -8.614 3.099 1.00 0.34 N ATOM 1255 CA ASN A 84 12.260 -8.155 2.584 1.00 0.35 C ATOM 1256 C ASN A 84 12.105 -6.898 1.730 1.00 0.32 C ATOM 1257 O ASN A 84 12.843 -5.928 1.902 1.00 0.33 O ATOM 1258 CB ASN A 84 12.924 -9.262 1.764 1.00 0.44 C ATOM 1259 CG ASN A 84 14.276 -8.845 1.217 1.00 0.51 C ATOM 1260 OD1 ASN A 84 14.981 -8.036 1.821 1.00 1.12 O ATOM 1261 ND2 ASN A 84 14.644 -9.397 0.067 1.00 1.33 N ATOM 0 H ASN A 84 10.650 -9.496 2.701 1.00 0.34 H new ATOM 0 HA ASN A 84 12.891 -7.907 3.438 1.00 0.35 H new ATOM 0 HB2 ASN A 84 13.045 -10.149 2.386 1.00 0.44 H new ATOM 0 HB3 ASN A 84 12.270 -9.540 0.937 1.00 0.44 H new ATOM 0 HD21 ASN A 84 15.543 -9.155 -0.350 1.00 1.33 H new ATOM 0 HD22 ASN A 84 14.028 -10.063 -0.399 1.00 1.33 H new ATOM 1268 N ARG A 85 11.139 -6.918 0.815 1.00 0.35 N ATOM 1269 CA ARG A 85 10.905 -5.782 -0.076 1.00 0.39 C ATOM 1270 C ARG A 85 10.210 -4.629 0.643 1.00 0.37 C ATOM 1271 O ARG A 85 10.398 -3.466 0.287 1.00 0.41 O ATOM 1272 CB ARG A 85 10.073 -6.219 -1.283 1.00 0.47 C ATOM 1273 CG ARG A 85 8.686 -6.724 -0.922 1.00 0.47 C ATOM 1274 CD ARG A 85 7.889 -7.091 -2.163 1.00 0.62 C ATOM 1275 NE ARG A 85 7.697 -5.945 -3.048 1.00 1.35 N ATOM 1276 CZ ARG A 85 7.699 -6.029 -4.376 1.00 1.52 C ATOM 1277 NH1 ARG A 85 7.889 -7.198 -4.971 1.00 1.32 N ATOM 1278 NH2 ARG A 85 7.514 -4.939 -5.110 1.00 2.40 N ATOM 0 H ARG A 85 10.507 -7.705 0.670 1.00 0.35 H new ATOM 0 HA ARG A 85 11.878 -5.426 -0.414 1.00 0.39 H new ATOM 0 HB2 ARG A 85 9.976 -5.378 -1.969 1.00 0.47 H new ATOM 0 HB3 ARG A 85 10.608 -7.005 -1.816 1.00 0.47 H new ATOM 0 HG2 ARG A 85 8.772 -7.595 -0.272 1.00 0.47 H new ATOM 0 HG3 ARG A 85 8.153 -5.958 -0.359 1.00 0.47 H new ATOM 0 HD2 ARG A 85 8.405 -7.884 -2.704 1.00 0.62 H new ATOM 0 HD3 ARG A 85 6.918 -7.487 -1.866 1.00 0.62 H new ATOM 0 HE ARG A 85 7.553 -5.028 -2.624 1.00 1.35 H new ATOM 0 HH11 ARG A 85 8.034 -8.038 -4.411 1.00 1.32 H new ATOM 0 HH12 ARG A 85 7.890 -7.258 -5.989 1.00 1.32 H new ATOM 0 HH21 ARG A 85 7.370 -4.037 -4.656 1.00 2.40 H new ATOM 0 HH22 ARG A 85 7.516 -5.003 -6.128 1.00 2.40 H new ATOM 1292 N VAL A 86 9.406 -4.949 1.652 1.00 0.35 N ATOM 1293 CA VAL A 86 8.688 -3.927 2.406 1.00 0.37 C ATOM 1294 C VAL A 86 9.641 -3.106 3.270 1.00 0.32 C ATOM 1295 O VAL A 86 9.647 -1.876 3.205 1.00 0.31 O ATOM 1296 CB VAL A 86 7.589 -4.547 3.295 1.00 0.46 C ATOM 1297 CG1 VAL A 86 7.076 -3.537 4.312 1.00 0.51 C ATOM 1298 CG2 VAL A 86 6.445 -5.065 2.438 1.00 0.55 C ATOM 0 H VAL A 86 9.236 -5.904 1.966 1.00 0.35 H new ATOM 0 HA VAL A 86 8.216 -3.269 1.677 1.00 0.37 H new ATOM 0 HB VAL A 86 8.025 -5.384 3.840 1.00 0.46 H new ATOM 0 HG11 VAL A 86 6.303 -3.999 4.926 1.00 0.51 H new ATOM 0 HG12 VAL A 86 7.899 -3.212 4.949 1.00 0.51 H new ATOM 0 HG13 VAL A 86 6.659 -2.675 3.791 1.00 0.51 H new ATOM 0 HG21 VAL A 86 5.678 -5.499 3.079 1.00 0.55 H new ATOM 0 HG22 VAL A 86 6.017 -4.242 1.866 1.00 0.55 H new ATOM 0 HG23 VAL A 86 6.819 -5.826 1.753 1.00 0.55 H new ATOM 1308 N LEU A 87 10.445 -3.790 4.077 1.00 0.31 N ATOM 1309 CA LEU A 87 11.398 -3.116 4.951 1.00 0.31 C ATOM 1310 C LEU A 87 12.494 -2.431 4.140 1.00 0.26 C ATOM 1311 O LEU A 87 13.029 -1.401 4.549 1.00 0.26 O ATOM 1312 CB LEU A 87 12.015 -4.114 5.935 1.00 0.37 C ATOM 1313 CG LEU A 87 11.017 -4.828 6.852 1.00 0.73 C ATOM 1314 CD1 LEU A 87 11.729 -5.855 7.718 1.00 1.24 C ATOM 1315 CD2 LEU A 87 10.273 -3.823 7.722 1.00 1.24 C ATOM 0 H LEU A 87 10.456 -4.808 4.144 1.00 0.31 H new ATOM 0 HA LEU A 87 10.860 -2.352 5.512 1.00 0.31 H new ATOM 0 HB2 LEU A 87 12.565 -4.865 5.369 1.00 0.37 H new ATOM 0 HB3 LEU A 87 12.741 -3.587 6.555 1.00 0.37 H new ATOM 0 HG LEU A 87 10.290 -5.347 6.228 1.00 0.73 H new ATOM 0 HD11 LEU A 87 11.004 -6.352 8.363 1.00 1.24 H new ATOM 0 HD12 LEU A 87 12.215 -6.594 7.081 1.00 1.24 H new ATOM 0 HD13 LEU A 87 12.479 -5.356 8.332 1.00 1.24 H new ATOM 0 HD21 LEU A 87 9.569 -4.350 8.366 1.00 1.24 H new ATOM 0 HD22 LEU A 87 10.987 -3.275 8.337 1.00 1.24 H new ATOM 0 HD23 LEU A 87 9.730 -3.124 7.087 1.00 1.24 H new ATOM 1327 N ASN A 88 12.823 -3.009 2.987 1.00 0.26 N ATOM 1328 CA ASN A 88 13.854 -2.449 2.119 1.00 0.25 C ATOM 1329 C ASN A 88 13.369 -1.164 1.462 1.00 0.23 C ATOM 1330 O ASN A 88 13.986 -0.108 1.607 1.00 0.22 O ATOM 1331 CB ASN A 88 14.252 -3.460 1.044 1.00 0.31 C ATOM 1332 CG ASN A 88 15.405 -2.972 0.188 1.00 0.39 C ATOM 1333 OD1 ASN A 88 16.261 -2.219 0.651 1.00 0.98 O ATOM 1334 ND2 ASN A 88 15.432 -3.402 -1.068 1.00 1.18 N ATOM 0 H ASN A 88 12.391 -3.863 2.633 1.00 0.26 H new ATOM 0 HA ASN A 88 14.724 -2.220 2.734 1.00 0.25 H new ATOM 0 HB2 ASN A 88 14.529 -4.401 1.519 1.00 0.31 H new ATOM 0 HB3 ASN A 88 13.392 -3.666 0.407 1.00 0.31 H new ATOM 0 HD21 ASN A 88 16.184 -3.108 -1.691 1.00 1.18 H new ATOM 0 HD22 ASN A 88 14.701 -4.026 -1.409 1.00 1.18 H new ATOM 1341 N ALA A 89 12.261 -1.265 0.734 1.00 0.24 N ATOM 1342 CA ALA A 89 11.681 -0.115 0.049 1.00 0.25 C ATOM 1343 C ALA A 89 11.467 1.048 1.011 1.00 0.22 C ATOM 1344 O ALA A 89 11.736 2.202 0.675 1.00 0.23 O ATOM 1345 CB ALA A 89 10.368 -0.501 -0.615 1.00 0.27 C ATOM 0 H ALA A 89 11.745 -2.135 0.603 1.00 0.24 H new ATOM 0 HA ALA A 89 12.383 0.208 -0.720 1.00 0.25 H new ATOM 0 HB1 ALA A 89 9.947 0.368 -1.122 1.00 0.27 H new ATOM 0 HB2 ALA A 89 10.547 -1.294 -1.341 1.00 0.27 H new ATOM 0 HB3 ALA A 89 9.667 -0.854 0.142 1.00 0.27 H new ATOM 1351 N HIS A 90 10.979 0.738 2.209 1.00 0.26 N ATOM 1352 CA HIS A 90 10.736 1.759 3.220 1.00 0.28 C ATOM 1353 C HIS A 90 12.040 2.459 3.593 1.00 0.27 C ATOM 1354 O HIS A 90 12.152 3.688 3.512 1.00 0.27 O ATOM 1355 CB HIS A 90 10.100 1.134 4.463 1.00 0.35 C ATOM 1356 CG HIS A 90 9.878 2.108 5.580 1.00 0.42 C ATOM 1357 ND1 HIS A 90 10.129 1.807 6.902 1.00 1.32 N ATOM 1358 CD2 HIS A 90 9.422 3.383 5.566 1.00 0.80 C ATOM 1359 CE1 HIS A 90 9.836 2.855 7.653 1.00 1.14 C ATOM 1360 NE2 HIS A 90 9.406 3.824 6.866 1.00 0.50 N ATOM 0 H HIS A 90 10.745 -0.211 2.502 1.00 0.26 H new ATOM 0 HA HIS A 90 10.049 2.498 2.808 1.00 0.28 H new ATOM 0 HB2 HIS A 90 9.145 0.688 4.186 1.00 0.35 H new ATOM 0 HB3 HIS A 90 10.738 0.325 4.819 1.00 0.35 H new ATOM 0 HD2 HIS A 90 9.126 3.948 4.694 1.00 0.80 H new ATOM 0 HE1 HIS A 90 9.932 2.909 8.727 1.00 1.14 H new ATOM 0 HE2 HIS A 90 9.110 4.750 7.174 1.00 0.50 H new ATOM 1369 N GLY A 91 13.025 1.662 4.001 1.00 0.29 N ATOM 1370 CA GLY A 91 14.316 2.207 4.374 1.00 0.33 C ATOM 1371 C GLY A 91 14.926 3.028 3.259 1.00 0.30 C ATOM 1372 O GLY A 91 15.676 3.966 3.511 1.00 0.34 O ATOM 0 H GLY A 91 12.950 0.648 4.079 1.00 0.29 H new ATOM 0 HA2 GLY A 91 14.205 2.828 5.263 1.00 0.33 H new ATOM 0 HA3 GLY A 91 14.991 1.393 4.637 1.00 0.33 H new ATOM 1376 N TYR A 92 14.603 2.669 2.022 1.00 0.26 N ATOM 1377 CA TYR A 92 15.108 3.381 0.855 1.00 0.26 C ATOM 1378 C TYR A 92 14.532 4.788 0.798 1.00 0.21 C ATOM 1379 O TYR A 92 15.267 5.745 0.587 1.00 0.25 O ATOM 1380 CB TYR A 92 14.772 2.601 -0.420 1.00 0.29 C ATOM 1381 CG TYR A 92 14.822 3.428 -1.685 1.00 0.29 C ATOM 1382 CD1 TYR A 92 16.023 3.662 -2.344 1.00 0.36 C ATOM 1383 CD2 TYR A 92 13.664 3.969 -2.220 1.00 0.26 C ATOM 1384 CE1 TYR A 92 16.063 4.416 -3.501 1.00 0.38 C ATOM 1385 CE2 TYR A 92 13.695 4.722 -3.376 1.00 0.30 C ATOM 1386 CZ TYR A 92 14.897 4.944 -4.013 1.00 0.35 C ATOM 1387 OH TYR A 92 14.931 5.694 -5.165 1.00 0.40 O ATOM 0 H TYR A 92 13.990 1.884 1.801 1.00 0.26 H new ATOM 0 HA TYR A 92 16.192 3.465 0.934 1.00 0.26 H new ATOM 0 HB2 TYR A 92 15.468 1.768 -0.517 1.00 0.29 H new ATOM 0 HB3 TYR A 92 13.775 2.173 -0.318 1.00 0.29 H new ATOM 0 HD1 TYR A 92 16.938 3.249 -1.946 1.00 0.36 H new ATOM 0 HD2 TYR A 92 12.720 3.798 -1.723 1.00 0.26 H new ATOM 0 HE1 TYR A 92 17.004 4.591 -4.002 1.00 0.38 H new ATOM 0 HE2 TYR A 92 12.782 5.135 -3.779 1.00 0.30 H new ATOM 0 HH TYR A 92 15.848 5.724 -5.509 1.00 0.40 H new ATOM 1397 N TRP A 93 13.220 4.913 0.985 1.00 0.17 N ATOM 1398 CA TRP A 93 12.577 6.224 0.963 1.00 0.18 C ATOM 1399 C TRP A 93 13.232 7.147 1.984 1.00 0.23 C ATOM 1400 O TRP A 93 13.700 8.238 1.650 1.00 0.28 O ATOM 1401 CB TRP A 93 11.082 6.115 1.277 1.00 0.20 C ATOM 1402 CG TRP A 93 10.341 5.130 0.425 1.00 0.21 C ATOM 1403 CD1 TRP A 93 10.603 4.796 -0.872 1.00 0.22 C ATOM 1404 CD2 TRP A 93 9.200 4.360 0.816 1.00 0.26 C ATOM 1405 NE1 TRP A 93 9.700 3.855 -1.308 1.00 0.26 N ATOM 1406 CE2 TRP A 93 8.827 3.574 -0.289 1.00 0.29 C ATOM 1407 CE3 TRP A 93 8.460 4.258 1.997 1.00 0.33 C ATOM 1408 CZ2 TRP A 93 7.746 2.698 -0.246 1.00 0.36 C ATOM 1409 CZ3 TRP A 93 7.387 3.389 2.037 1.00 0.41 C ATOM 1410 CH2 TRP A 93 7.039 2.619 0.922 1.00 0.42 C ATOM 0 H TRP A 93 12.587 4.131 1.152 1.00 0.17 H new ATOM 0 HA TRP A 93 12.697 6.634 -0.040 1.00 0.18 H new ATOM 0 HB2 TRP A 93 10.962 5.834 2.323 1.00 0.20 H new ATOM 0 HB3 TRP A 93 10.625 7.097 1.156 1.00 0.20 H new ATOM 0 HD1 TRP A 93 11.402 5.210 -1.469 1.00 0.22 H new ATOM 0 HE1 TRP A 93 9.683 3.435 -2.237 1.00 0.26 H new ATOM 0 HE3 TRP A 93 8.722 4.848 2.863 1.00 0.33 H new ATOM 0 HZ2 TRP A 93 7.475 2.102 -1.105 1.00 0.36 H new ATOM 0 HZ3 TRP A 93 6.807 3.303 2.944 1.00 0.41 H new ATOM 0 HH2 TRP A 93 6.195 1.948 0.985 1.00 0.42 H new ATOM 1421 N THR A 94 13.263 6.696 3.233 1.00 0.26 N ATOM 1422 CA THR A 94 13.859 7.479 4.309 1.00 0.35 C ATOM 1423 C THR A 94 15.328 7.771 4.022 1.00 0.37 C ATOM 1424 O THR A 94 15.775 8.913 4.129 1.00 0.45 O ATOM 1425 CB THR A 94 13.743 6.759 5.666 1.00 0.44 C ATOM 1426 OG1 THR A 94 14.410 5.492 5.608 1.00 0.44 O ATOM 1427 CG2 THR A 94 12.285 6.553 6.044 1.00 0.50 C ATOM 0 H THR A 94 12.884 5.795 3.525 1.00 0.26 H new ATOM 0 HA THR A 94 13.306 8.417 4.361 1.00 0.35 H new ATOM 0 HB THR A 94 14.215 7.382 6.425 1.00 0.44 H new ATOM 0 HG1 THR A 94 14.333 5.042 6.475 1.00 0.44 H new ATOM 0 HG21 THR A 94 12.227 6.043 7.006 1.00 0.50 H new ATOM 0 HG22 THR A 94 11.788 7.520 6.116 1.00 0.50 H new ATOM 0 HG23 THR A 94 11.794 5.948 5.282 1.00 0.50 H new ATOM 1435 N GLN A 95 16.073 6.733 3.658 1.00 0.41 N ATOM 1436 CA GLN A 95 17.489 6.883 3.348 1.00 0.52 C ATOM 1437 C GLN A 95 17.670 7.659 2.053 1.00 0.54 C ATOM 1438 O GLN A 95 18.766 8.128 1.748 1.00 0.73 O ATOM 1439 CB GLN A 95 18.167 5.516 3.238 1.00 0.56 C ATOM 1440 CG GLN A 95 18.345 4.816 4.575 1.00 0.63 C ATOM 1441 CD GLN A 95 19.021 3.465 4.443 1.00 1.26 C ATOM 1442 OE1 GLN A 95 18.883 2.787 3.424 1.00 1.76 O ATOM 1443 NE2 GLN A 95 19.757 3.067 5.473 1.00 2.24 N ATOM 0 H GLN A 95 15.720 5.780 3.571 1.00 0.41 H new ATOM 0 HA GLN A 95 17.957 7.439 4.161 1.00 0.52 H new ATOM 0 HB2 GLN A 95 17.577 4.879 2.580 1.00 0.56 H new ATOM 0 HB3 GLN A 95 19.143 5.641 2.770 1.00 0.56 H new ATOM 0 HG2 GLN A 95 18.935 5.450 5.237 1.00 0.63 H new ATOM 0 HG3 GLN A 95 17.370 4.686 5.045 1.00 0.63 H new ATOM 0 HE21 GLN A 95 19.844 3.661 6.298 1.00 2.24 H new ATOM 0 HE22 GLN A 95 20.236 2.167 5.440 1.00 2.24 H new ATOM 1452 N GLN A 96 16.587 7.793 1.294 1.00 0.74 N ATOM 1453 CA GLN A 96 16.637 8.525 0.041 1.00 0.88 C ATOM 1454 C GLN A 96 16.654 10.021 0.322 1.00 0.74 C ATOM 1455 O GLN A 96 17.271 10.799 -0.408 1.00 0.75 O ATOM 1456 CB GLN A 96 15.439 8.185 -0.851 1.00 1.23 C ATOM 1457 CG GLN A 96 15.432 8.930 -2.176 1.00 1.53 C ATOM 1458 CD GLN A 96 14.102 8.828 -2.898 1.00 2.48 C ATOM 1459 OE1 GLN A 96 13.713 9.733 -3.637 1.00 3.08 O ATOM 1460 NE2 GLN A 96 13.392 7.725 -2.686 1.00 3.17 N ATOM 0 H GLN A 96 15.672 7.406 1.525 1.00 0.74 H new ATOM 0 HA GLN A 96 17.547 8.235 -0.485 1.00 0.88 H new ATOM 0 HB2 GLN A 96 15.436 7.113 -1.047 1.00 1.23 H new ATOM 0 HB3 GLN A 96 14.520 8.413 -0.312 1.00 1.23 H new ATOM 0 HG2 GLN A 96 15.665 9.980 -1.999 1.00 1.53 H new ATOM 0 HG3 GLN A 96 16.220 8.532 -2.816 1.00 1.53 H new ATOM 0 HE21 GLN A 96 13.751 6.999 -2.066 1.00 3.17 H new ATOM 0 HE22 GLN A 96 12.488 7.604 -3.143 1.00 3.17 H new ATOM 1469 N GLN A 97 15.960 10.408 1.392 1.00 0.71 N ATOM 1470 CA GLN A 97 15.877 11.806 1.807 1.00 0.81 C ATOM 1471 C GLN A 97 15.136 12.635 0.764 1.00 1.04 C ATOM 1472 O GLN A 97 15.323 13.849 0.672 1.00 1.20 O ATOM 1473 CB GLN A 97 17.277 12.381 2.042 1.00 0.72 C ATOM 1474 CG GLN A 97 17.282 13.618 2.929 1.00 1.12 C ATOM 1475 CD GLN A 97 18.680 14.083 3.286 1.00 1.59 C ATOM 1476 OE1 GLN A 97 19.260 14.925 2.603 1.00 2.39 O ATOM 1477 NE2 GLN A 97 19.229 13.532 4.362 1.00 2.02 N ATOM 0 H GLN A 97 15.443 9.765 1.992 1.00 0.71 H new ATOM 0 HA GLN A 97 15.320 11.850 2.743 1.00 0.81 H new ATOM 0 HB2 GLN A 97 17.905 11.615 2.497 1.00 0.72 H new ATOM 0 HB3 GLN A 97 17.725 12.631 1.080 1.00 0.72 H new ATOM 0 HG2 GLN A 97 16.755 14.425 2.421 1.00 1.12 H new ATOM 0 HG3 GLN A 97 16.731 13.404 3.845 1.00 1.12 H new ATOM 0 HE21 GLN A 97 18.711 12.837 4.900 1.00 2.02 H new ATOM 0 HE22 GLN A 97 20.169 13.804 4.651 1.00 2.02 H new ATOM 1486 N MET A 98 14.290 11.968 -0.017 1.00 1.12 N ATOM 1487 CA MET A 98 13.512 12.635 -1.060 1.00 1.40 C ATOM 1488 C MET A 98 14.428 13.307 -2.085 1.00 1.52 C ATOM 1489 O MET A 98 13.964 14.016 -2.979 1.00 1.77 O ATOM 1490 CB MET A 98 12.565 13.667 -0.436 1.00 1.57 C ATOM 1491 CG MET A 98 11.542 14.235 -1.408 1.00 1.70 C ATOM 1492 SD MET A 98 10.543 12.956 -2.194 1.00 2.17 S ATOM 1493 CE MET A 98 9.717 12.247 -0.771 1.00 2.74 C ATOM 0 H MET A 98 14.125 10.964 0.052 1.00 1.12 H new ATOM 0 HA MET A 98 12.921 11.880 -1.578 1.00 1.40 H new ATOM 0 HB2 MET A 98 12.039 13.204 0.399 1.00 1.57 H new ATOM 0 HB3 MET A 98 13.156 14.486 -0.026 1.00 1.57 H new ATOM 0 HG2 MET A 98 10.887 14.926 -0.877 1.00 1.70 H new ATOM 0 HG3 MET A 98 12.058 14.811 -2.176 1.00 1.70 H new ATOM 0 HE1 MET A 98 8.734 11.880 -1.066 1.00 2.74 H new ATOM 0 HE2 MET A 98 10.311 11.421 -0.380 1.00 2.74 H new ATOM 0 HE3 MET A 98 9.603 13.009 0.000 1.00 2.74 H new ATOM 1503 N GLN A 99 15.731 13.070 -1.960 1.00 1.60 N ATOM 1504 CA GLN A 99 16.704 13.654 -2.876 1.00 1.85 C ATOM 1505 C GLN A 99 16.798 12.837 -4.158 1.00 1.32 C ATOM 1506 O GLN A 99 17.396 13.274 -5.141 1.00 1.70 O ATOM 1507 CB GLN A 99 18.084 13.729 -2.218 1.00 2.64 C ATOM 1508 CG GLN A 99 18.097 14.485 -0.903 1.00 3.49 C ATOM 1509 CD GLN A 99 19.489 14.582 -0.309 1.00 4.39 C ATOM 1510 OE1 GLN A 99 19.925 13.699 0.430 1.00 5.00 O ATOM 1511 NE2 GLN A 99 20.197 15.659 -0.631 1.00 4.80 N ATOM 0 H GLN A 99 16.136 12.479 -1.234 1.00 1.60 H new ATOM 0 HA GLN A 99 16.368 14.661 -3.121 1.00 1.85 H new ATOM 0 HB2 GLN A 99 18.450 12.717 -2.048 1.00 2.64 H new ATOM 0 HB3 GLN A 99 18.779 14.207 -2.908 1.00 2.64 H new ATOM 0 HG2 GLN A 99 17.700 15.488 -1.059 1.00 3.49 H new ATOM 0 HG3 GLN A 99 17.436 13.987 -0.194 1.00 3.49 H new ATOM 0 HE21 GLN A 99 19.797 16.367 -1.247 1.00 4.80 H new ATOM 0 HE22 GLN A 99 21.141 15.778 -0.262 1.00 4.80 H new ATOM 1520 N GLN A 100 16.205 11.646 -4.138 1.00 1.49 N ATOM 1521 CA GLN A 100 16.226 10.761 -5.295 1.00 2.30 C ATOM 1522 C GLN A 100 17.663 10.436 -5.693 1.00 2.29 C ATOM 1523 O GLN A 100 17.956 10.214 -6.869 1.00 2.79 O ATOM 1524 CB GLN A 100 15.485 11.400 -6.471 1.00 3.25 C ATOM 1525 CG GLN A 100 14.026 11.712 -6.176 1.00 3.96 C ATOM 1526 CD GLN A 100 13.311 12.347 -7.353 1.00 5.03 C ATOM 1527 OE1 GLN A 100 12.109 12.158 -7.537 1.00 5.35 O ATOM 1528 NE2 GLN A 100 14.046 13.109 -8.157 1.00 5.86 N ATOM 0 H GLN A 100 15.704 11.273 -3.332 1.00 1.49 H new ATOM 0 HA GLN A 100 15.720 9.834 -5.026 1.00 2.30 H new ATOM 0 HB2 GLN A 100 15.995 12.321 -6.753 1.00 3.25 H new ATOM 0 HB3 GLN A 100 15.538 10.731 -7.330 1.00 3.25 H new ATOM 0 HG2 GLN A 100 13.512 10.792 -5.898 1.00 3.96 H new ATOM 0 HG3 GLN A 100 13.969 12.382 -5.318 1.00 3.96 H new ATOM 0 HE21 GLN A 100 15.040 13.239 -7.968 1.00 5.86 H new ATOM 0 HE22 GLN A 100 13.616 13.563 -8.963 1.00 5.86 H new ATOM 1537 N LEU A 101 18.553 10.409 -4.701 1.00 2.43 N ATOM 1538 CA LEU A 101 19.963 10.113 -4.938 1.00 3.14 C ATOM 1539 C LEU A 101 20.128 8.858 -5.791 1.00 3.46 C ATOM 1540 O LEU A 101 21.064 8.756 -6.585 1.00 4.15 O ATOM 1541 CB LEU A 101 20.700 9.937 -3.607 1.00 3.68 C ATOM 1542 CG LEU A 101 20.654 11.147 -2.672 1.00 4.07 C ATOM 1543 CD1 LEU A 101 21.309 10.816 -1.339 1.00 4.78 C ATOM 1544 CD2 LEU A 101 21.336 12.348 -3.315 1.00 4.64 C ATOM 0 H LEU A 101 18.320 10.589 -3.724 1.00 2.43 H new ATOM 0 HA LEU A 101 20.394 10.955 -5.480 1.00 3.14 H new ATOM 0 HB2 LEU A 101 20.276 9.079 -3.086 1.00 3.68 H new ATOM 0 HB3 LEU A 101 21.743 9.699 -3.816 1.00 3.68 H new ATOM 0 HG LEU A 101 19.609 11.400 -2.491 1.00 4.07 H new ATOM 0 HD11 LEU A 101 21.267 11.688 -0.687 1.00 4.78 H new ATOM 0 HD12 LEU A 101 20.780 9.986 -0.870 1.00 4.78 H new ATOM 0 HD13 LEU A 101 22.349 10.536 -1.504 1.00 4.78 H new ATOM 0 HD21 LEU A 101 21.293 13.198 -2.635 1.00 4.64 H new ATOM 0 HD22 LEU A 101 22.377 12.105 -3.526 1.00 4.64 H new ATOM 0 HD23 LEU A 101 20.826 12.601 -4.245 1.00 4.64 H new ATOM 1556 N GLN A 102 19.214 7.908 -5.622 1.00 3.20 N ATOM 1557 CA GLN A 102 19.258 6.662 -6.380 1.00 3.68 C ATOM 1558 C GLN A 102 18.071 6.566 -7.333 1.00 3.52 C ATOM 1559 O GLN A 102 16.934 6.364 -6.905 1.00 3.69 O ATOM 1560 CB GLN A 102 19.265 5.462 -5.429 1.00 3.98 C ATOM 1561 CG GLN A 102 19.352 4.121 -6.140 1.00 4.64 C ATOM 1562 CD GLN A 102 19.383 2.950 -5.177 1.00 5.11 C ATOM 1563 OE1 GLN A 102 18.820 3.015 -4.084 1.00 5.82 O ATOM 1564 NE2 GLN A 102 20.041 1.869 -5.580 1.00 5.03 N ATOM 0 H GLN A 102 18.435 7.977 -4.968 1.00 3.20 H new ATOM 0 HA GLN A 102 20.175 6.654 -6.969 1.00 3.68 H new ATOM 0 HB2 GLN A 102 20.108 5.556 -4.745 1.00 3.98 H new ATOM 0 HB3 GLN A 102 18.359 5.484 -4.823 1.00 3.98 H new ATOM 0 HG2 GLN A 102 18.499 4.013 -6.810 1.00 4.64 H new ATOM 0 HG3 GLN A 102 20.248 4.100 -6.760 1.00 4.64 H new ATOM 0 HE21 GLN A 102 20.493 1.858 -6.494 1.00 5.03 H new ATOM 0 HE22 GLN A 102 20.094 1.049 -4.975 1.00 5.03 H new ATOM 1573 N GLN A 103 18.342 6.712 -8.626 1.00 3.58 N ATOM 1574 CA GLN A 103 17.297 6.642 -9.641 1.00 3.51 C ATOM 1575 C GLN A 103 17.140 5.219 -10.165 1.00 3.57 C ATOM 1576 O GLN A 103 16.374 4.971 -11.096 1.00 3.56 O ATOM 1577 CB GLN A 103 17.614 7.593 -10.798 1.00 3.99 C ATOM 1578 CG GLN A 103 17.715 9.051 -10.375 1.00 4.16 C ATOM 1579 CD GLN A 103 18.022 9.973 -11.538 1.00 4.78 C ATOM 1580 OE1 GLN A 103 17.114 10.480 -12.200 1.00 5.22 O ATOM 1581 NE2 GLN A 103 19.305 10.195 -11.798 1.00 5.21 N ATOM 0 H GLN A 103 19.278 6.880 -8.996 1.00 3.58 H new ATOM 0 HA GLN A 103 16.357 6.945 -9.179 1.00 3.51 H new ATOM 0 HB2 GLN A 103 18.554 7.291 -11.259 1.00 3.99 H new ATOM 0 HB3 GLN A 103 16.840 7.497 -11.560 1.00 3.99 H new ATOM 0 HG2 GLN A 103 16.778 9.357 -9.911 1.00 4.16 H new ATOM 0 HG3 GLN A 103 18.493 9.154 -9.619 1.00 4.16 H new ATOM 0 HE21 GLN A 103 20.025 9.755 -11.225 1.00 5.21 H new ATOM 0 HE22 GLN A 103 19.571 10.805 -12.571 1.00 5.21 H new ATOM 1590 N ASN A 104 17.870 4.288 -9.560 1.00 3.80 N ATOM 1591 CA ASN A 104 17.810 2.889 -9.967 1.00 4.04 C ATOM 1592 C ASN A 104 16.590 2.201 -9.363 1.00 3.75 C ATOM 1593 O ASN A 104 16.693 1.505 -8.353 1.00 3.94 O ATOM 1594 CB ASN A 104 19.087 2.156 -9.550 1.00 4.63 C ATOM 1595 CG ASN A 104 20.330 2.761 -10.172 1.00 5.23 C ATOM 1596 OD1 ASN A 104 20.748 2.365 -11.261 1.00 5.65 O ATOM 1597 ND2 ASN A 104 20.928 3.725 -9.481 1.00 5.64 N ATOM 0 H ASN A 104 18.509 4.476 -8.788 1.00 3.80 H new ATOM 0 HA ASN A 104 17.723 2.855 -11.053 1.00 4.04 H new ATOM 0 HB2 ASN A 104 19.179 2.181 -8.464 1.00 4.63 H new ATOM 0 HB3 ASN A 104 19.012 1.108 -9.840 1.00 4.63 H new ATOM 0 HD21 ASN A 104 21.769 4.169 -9.849 1.00 5.64 H new ATOM 0 HD22 ASN A 104 20.546 4.021 -8.583 1.00 5.64 H new ATOM 1604 N VAL A 105 15.433 2.412 -9.984 1.00 3.42 N ATOM 1605 CA VAL A 105 14.191 1.812 -9.510 1.00 3.29 C ATOM 1606 C VAL A 105 13.959 0.450 -10.156 1.00 3.64 C ATOM 1607 O VAL A 105 13.386 0.411 -11.265 1.00 3.70 O ATOM 1608 CB VAL A 105 12.982 2.722 -9.801 1.00 2.79 C ATOM 1609 CG1 VAL A 105 11.709 2.131 -9.212 1.00 3.11 C ATOM 1610 CG2 VAL A 105 13.225 4.123 -9.257 1.00 2.72 C ATOM 1611 OXT VAL A 105 14.353 -0.567 -9.547 1.00 4.19 O ATOM 0 H VAL A 105 15.330 2.993 -10.816 1.00 3.42 H new ATOM 0 HA VAL A 105 14.289 1.687 -8.432 1.00 3.29 H new ATOM 0 HB VAL A 105 12.857 2.790 -10.882 1.00 2.79 H new ATOM 0 HG11 VAL A 105 10.868 2.789 -9.429 1.00 3.11 H new ATOM 0 HG12 VAL A 105 11.525 1.151 -9.652 1.00 3.11 H new ATOM 0 HG13 VAL A 105 11.821 2.029 -8.133 1.00 3.11 H new ATOM 0 HG21 VAL A 105 12.361 4.752 -9.472 1.00 2.72 H new ATOM 0 HG22 VAL A 105 13.379 4.073 -8.179 1.00 2.72 H new ATOM 0 HG23 VAL A 105 14.110 4.549 -9.730 1.00 2.72 H new TER 1621 VAL A 105