USER MOD reduce.3.24.130724 H: found=0, std=0, add=997, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 993 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 44 ASN : amide:sc= -3.28! C(o=-8.4!,f=-7.9!) USER MOD Set 1.2: A 45 GLN : amide:sc= -5.17 X(o=-8.4,f=-8.6!) USER MOD Single : A 1 ASP N :NH3+ 141:sc= 0.0342 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -2.66 K(o=-2.7,f=-1.3) USER MOD Single : A 6 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.011) USER MOD Single : A 10 ASN : amide:sc= -1.81 K(o=-1.8,f=-4.4!) USER MOD Single : A 11 ASN : amide:sc= -2.02 K(o=-2,f=-1.2) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 149:sc= -4.47! (180deg=-5.05!) USER MOD Single : A 22 HIS : no HD1:sc= -0.339 X(o=-0.34,f=-0.0087) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -0.75 K(o=-0.75,f=-1.6!) USER MOD Single : A 33 LYS NZ :NH3+ -110:sc= 0.26 (180deg=-0.317) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -2.17! K(o=-2.2!,f=-1.4) USER MOD Single : A 47 THR OG1 : rot -133:sc= 0.558! USER MOD Single : A 48 LYS NZ :NH3+ -157:sc= -0.0826 (180deg=-0.679) USER MOD Single : A 49 THR OG1 : rot 27:sc= -0.0792 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= -0.416 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.068 USER MOD Single : A 71 ASN : amide:sc= -0.114 K(o=-0.11,f=-2.3!) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -1.87 K(o=-1.9,f=-5.5!) USER MOD Single : A 85 GLN : amide:sc= -2.15! C(o=-2.1!,f=-5.9!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0.168 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot -89:sc= -7.37! USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0786 USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -113:sc= 0 (180deg=-0.767) USER MOD Single : A 101 SER OG : rot 119:sc= -2.14! USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 166:sc= -0.0644 (180deg=-0.569) USER MOD Single : A 114 ASN : amide:sc= -0.186 K(o=-0.19,f=-1.5) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -0.793 0.771 0.839 1.00 0.36 N ATOM 2 CA ASP A 1 0.401 1.516 0.352 1.00 0.34 C ATOM 3 C ASP A 1 1.376 1.726 1.510 1.00 0.43 C ATOM 4 O ASP A 1 0.976 1.922 2.640 1.00 0.88 O ATOM 5 CB ASP A 1 -0.033 2.876 -0.196 1.00 0.33 C ATOM 6 CG ASP A 1 -0.072 2.825 -1.725 1.00 0.17 C ATOM 7 OD1 ASP A 1 0.977 2.640 -2.318 1.00 0.26 O ATOM 8 OD2 ASP A 1 -1.151 2.971 -2.275 1.00 0.16 O ATOM 0 H1 ASP A 1 -1.649 1.155 0.389 1.00 0.36 H new ATOM 0 H2 ASP A 1 -0.696 -0.236 0.597 1.00 0.36 H new ATOM 0 H3 ASP A 1 -0.869 0.873 1.871 1.00 0.36 H new ATOM 0 HA ASP A 1 0.888 0.944 -0.438 1.00 0.34 H new ATOM 0 HB2 ASP A 1 -1.016 3.140 0.194 1.00 0.33 H new ATOM 0 HB3 ASP A 1 0.659 3.650 0.135 1.00 0.33 H new ATOM 15 N GLN A 2 2.651 1.692 1.241 1.00 0.12 N ATOM 16 CA GLN A 2 3.645 1.895 2.330 1.00 0.14 C ATOM 17 C GLN A 2 3.590 3.348 2.796 1.00 0.45 C ATOM 18 O GLN A 2 3.418 4.256 2.008 1.00 0.76 O ATOM 19 CB GLN A 2 5.045 1.578 1.807 1.00 0.25 C ATOM 20 CG GLN A 2 5.986 1.334 2.986 1.00 2.16 C ATOM 21 CD GLN A 2 7.254 2.170 2.807 1.00 1.81 C ATOM 22 OE1 GLN A 2 7.861 2.589 3.774 1.00 1.99 O ATOM 23 NE2 GLN A 2 7.686 2.432 1.604 1.00 1.66 N ATOM 0 H GLN A 2 3.047 1.533 0.315 1.00 0.12 H new ATOM 0 HA GLN A 2 3.414 1.234 3.166 1.00 0.14 H new ATOM 0 HB2 GLN A 2 5.014 0.698 1.164 1.00 0.25 H new ATOM 0 HB3 GLN A 2 5.413 2.404 1.199 1.00 0.25 H new ATOM 0 HG2 GLN A 2 5.492 1.599 3.921 1.00 2.16 H new ATOM 0 HG3 GLN A 2 6.241 0.276 3.049 1.00 2.16 H new ATOM 0 HE21 GLN A 2 7.178 2.081 0.792 1.00 1.66 H new ATOM 0 HE22 GLN A 2 8.532 2.988 1.476 1.00 1.66 H new ATOM 32 N VAL A 3 3.717 3.574 4.074 1.00 0.59 N ATOM 33 CA VAL A 3 3.657 4.961 4.587 1.00 0.91 C ATOM 34 C VAL A 3 5.041 5.408 5.064 1.00 0.61 C ATOM 35 O VAL A 3 5.959 4.618 5.168 1.00 0.24 O ATOM 36 CB VAL A 3 2.654 5.024 5.733 1.00 1.39 C ATOM 37 CG1 VAL A 3 1.423 4.191 5.373 1.00 1.05 C ATOM 38 CG2 VAL A 3 3.291 4.467 7.009 1.00 1.88 C ATOM 0 H VAL A 3 3.860 2.854 4.782 1.00 0.59 H new ATOM 0 HA VAL A 3 3.338 5.632 3.790 1.00 0.91 H new ATOM 0 HB VAL A 3 2.360 6.060 5.901 1.00 1.39 H new ATOM 0 HG11 VAL A 3 0.703 4.234 6.190 1.00 1.05 H new ATOM 0 HG12 VAL A 3 0.967 4.589 4.467 1.00 1.05 H new ATOM 0 HG13 VAL A 3 1.721 3.156 5.205 1.00 1.05 H new ATOM 0 HG21 VAL A 3 2.571 4.514 7.826 1.00 1.88 H new ATOM 0 HG22 VAL A 3 3.587 3.431 6.845 1.00 1.88 H new ATOM 0 HG23 VAL A 3 4.169 5.059 7.266 1.00 1.88 H new ATOM 48 N ASP A 4 5.200 6.675 5.334 1.00 0.82 N ATOM 49 CA ASP A 4 6.526 7.192 5.781 1.00 0.63 C ATOM 50 C ASP A 4 6.748 6.915 7.273 1.00 0.49 C ATOM 51 O ASP A 4 5.933 7.246 8.110 1.00 0.59 O ATOM 52 CB ASP A 4 6.584 8.703 5.540 1.00 0.88 C ATOM 53 CG ASP A 4 8.044 9.156 5.465 1.00 0.94 C ATOM 54 OD1 ASP A 4 8.886 8.467 6.016 1.00 1.10 O ATOM 55 OD2 ASP A 4 8.295 10.184 4.858 1.00 0.96 O ATOM 0 H ASP A 4 4.465 7.378 5.264 1.00 0.82 H new ATOM 0 HA ASP A 4 7.305 6.685 5.212 1.00 0.63 H new ATOM 0 HB2 ASP A 4 6.067 8.954 4.614 1.00 0.88 H new ATOM 0 HB3 ASP A 4 6.070 9.230 6.344 1.00 0.88 H new ATOM 60 N VAL A 5 7.868 6.328 7.600 1.00 0.36 N ATOM 61 CA VAL A 5 8.202 6.036 9.026 1.00 0.33 C ATOM 62 C VAL A 5 9.724 6.144 9.180 1.00 0.37 C ATOM 63 O VAL A 5 10.456 6.057 8.214 1.00 0.45 O ATOM 64 CB VAL A 5 7.749 4.619 9.397 1.00 0.33 C ATOM 65 CG1 VAL A 5 6.261 4.458 9.080 1.00 0.36 C ATOM 66 CG2 VAL A 5 8.558 3.595 8.597 1.00 0.35 C ATOM 0 H VAL A 5 8.577 6.034 6.929 1.00 0.36 H new ATOM 0 HA VAL A 5 7.694 6.742 9.683 1.00 0.33 H new ATOM 0 HB VAL A 5 7.912 4.455 10.462 1.00 0.33 H new ATOM 0 HG11 VAL A 5 5.940 3.450 9.344 1.00 0.36 H new ATOM 0 HG12 VAL A 5 5.686 5.184 9.654 1.00 0.36 H new ATOM 0 HG13 VAL A 5 6.096 4.624 8.016 1.00 0.36 H new ATOM 0 HG21 VAL A 5 8.235 2.588 8.862 1.00 0.35 H new ATOM 0 HG22 VAL A 5 8.399 3.758 7.531 1.00 0.35 H new ATOM 0 HG23 VAL A 5 9.617 3.708 8.827 1.00 0.35 H new ATOM 76 N LYS A 6 10.213 6.337 10.373 1.00 0.40 N ATOM 77 CA LYS A 6 11.685 6.454 10.563 1.00 0.51 C ATOM 78 C LYS A 6 12.175 5.316 11.458 1.00 0.47 C ATOM 79 O LYS A 6 11.922 5.294 12.647 1.00 0.44 O ATOM 80 CB LYS A 6 12.002 7.798 11.224 1.00 0.63 C ATOM 81 CG LYS A 6 13.127 8.493 10.454 1.00 0.77 C ATOM 82 CD LYS A 6 12.526 9.413 9.388 1.00 1.91 C ATOM 83 CE LYS A 6 13.470 10.592 9.143 1.00 1.54 C ATOM 84 NZ LYS A 6 13.279 11.611 10.214 1.00 1.07 N ATOM 0 H LYS A 6 9.657 6.419 11.224 1.00 0.40 H new ATOM 0 HA LYS A 6 12.186 6.395 9.597 1.00 0.51 H new ATOM 0 HB2 LYS A 6 11.112 8.428 11.237 1.00 0.63 H new ATOM 0 HB3 LYS A 6 12.298 7.644 12.262 1.00 0.63 H new ATOM 0 HG2 LYS A 6 13.748 9.070 11.139 1.00 0.77 H new ATOM 0 HG3 LYS A 6 13.774 7.751 9.986 1.00 0.77 H new ATOM 0 HD2 LYS A 6 12.369 8.860 8.462 1.00 1.91 H new ATOM 0 HD3 LYS A 6 11.551 9.775 9.713 1.00 1.91 H new ATOM 0 HE2 LYS A 6 14.504 10.248 9.134 1.00 1.54 H new ATOM 0 HE3 LYS A 6 13.272 11.034 8.166 1.00 1.54 H new ATOM 0 HZ1 LYS A 6 14.147 12.174 10.316 1.00 1.07 H new ATOM 0 HZ2 LYS A 6 12.488 12.237 9.961 1.00 1.07 H new ATOM 0 HZ3 LYS A 6 13.068 11.134 11.114 1.00 1.07 H new ATOM 98 N ASP A 7 12.877 4.371 10.899 1.00 0.51 N ATOM 99 CA ASP A 7 13.385 3.237 11.720 1.00 0.47 C ATOM 100 C ASP A 7 14.149 3.793 12.924 1.00 0.51 C ATOM 101 O ASP A 7 15.006 4.644 12.787 1.00 0.90 O ATOM 102 CB ASP A 7 14.322 2.374 10.869 1.00 0.58 C ATOM 103 CG ASP A 7 13.548 1.792 9.682 1.00 0.33 C ATOM 104 OD1 ASP A 7 12.384 2.129 9.536 1.00 0.33 O ATOM 105 OD2 ASP A 7 14.134 1.021 8.939 1.00 0.40 O ATOM 0 H ASP A 7 13.121 4.335 9.909 1.00 0.51 H new ATOM 0 HA ASP A 7 12.550 2.628 12.067 1.00 0.47 H new ATOM 0 HB2 ASP A 7 15.160 2.973 10.511 1.00 0.58 H new ATOM 0 HB3 ASP A 7 14.740 1.569 11.473 1.00 0.58 H new ATOM 110 N CYS A 8 13.847 3.324 14.103 1.00 0.18 N ATOM 111 CA CYS A 8 14.558 3.833 15.310 1.00 0.32 C ATOM 112 C CYS A 8 15.609 2.812 15.752 1.00 0.34 C ATOM 113 O CYS A 8 16.271 2.982 16.757 1.00 0.35 O ATOM 114 CB CYS A 8 13.549 4.063 16.438 1.00 0.37 C ATOM 115 SG CYS A 8 13.611 2.684 17.607 1.00 0.36 S ATOM 0 H CYS A 8 13.140 2.611 14.283 1.00 0.18 H new ATOM 0 HA CYS A 8 15.052 4.776 15.073 1.00 0.32 H new ATOM 0 HB2 CYS A 8 13.772 4.998 16.952 1.00 0.37 H new ATOM 0 HB3 CYS A 8 12.544 4.157 16.026 1.00 0.37 H new ATOM 120 N ALA A 9 15.772 1.755 15.004 1.00 0.33 N ATOM 121 CA ALA A 9 16.785 0.730 15.376 1.00 0.34 C ATOM 122 C ALA A 9 18.160 1.191 14.908 1.00 0.54 C ATOM 123 O ALA A 9 19.089 1.306 15.682 1.00 0.63 O ATOM 124 CB ALA A 9 16.458 -0.595 14.684 1.00 0.15 C ATOM 0 H ALA A 9 15.247 1.558 14.152 1.00 0.33 H new ATOM 0 HA ALA A 9 16.776 0.596 16.458 1.00 0.34 H new ATOM 0 HB1 ALA A 9 17.202 -1.342 14.959 1.00 0.15 H new ATOM 0 HB2 ALA A 9 15.470 -0.934 14.996 1.00 0.15 H new ATOM 0 HB3 ALA A 9 16.468 -0.453 13.603 1.00 0.15 H new ATOM 130 N ASN A 10 18.292 1.438 13.637 1.00 0.78 N ATOM 131 CA ASN A 10 19.603 1.870 13.089 1.00 1.00 C ATOM 132 C ASN A 10 19.589 1.641 11.580 1.00 1.12 C ATOM 133 O ASN A 10 20.217 2.350 10.819 1.00 2.48 O ATOM 134 CB ASN A 10 20.703 1.019 13.719 1.00 0.96 C ATOM 135 CG ASN A 10 21.828 0.802 12.707 1.00 1.14 C ATOM 136 OD1 ASN A 10 21.703 -0.004 11.806 1.00 3.44 O ATOM 137 ND2 ASN A 10 22.926 1.496 12.816 1.00 0.89 N ATOM 0 H ASN A 10 17.542 1.358 12.950 1.00 0.78 H new ATOM 0 HA ASN A 10 19.784 2.923 13.307 1.00 1.00 H new ATOM 0 HB2 ASN A 10 21.092 1.512 14.610 1.00 0.96 H new ATOM 0 HB3 ASN A 10 20.297 0.059 14.037 1.00 0.96 H new ATOM 0 HD21 ASN A 10 23.682 1.363 12.144 1.00 0.89 H new ATOM 0 HD22 ASN A 10 23.029 2.172 13.573 1.00 0.89 H new ATOM 144 N ASN A 11 18.871 0.640 11.158 1.00 1.15 N ATOM 145 CA ASN A 11 18.785 0.315 9.708 1.00 1.14 C ATOM 146 C ASN A 11 18.329 -1.138 9.569 1.00 1.06 C ATOM 147 O ASN A 11 18.812 -1.876 8.733 1.00 1.49 O ATOM 148 CB ASN A 11 20.163 0.478 9.062 1.00 1.27 C ATOM 149 CG ASN A 11 20.156 1.683 8.118 1.00 1.75 C ATOM 150 OD1 ASN A 11 20.820 1.674 7.101 1.00 2.30 O ATOM 151 ND2 ASN A 11 19.427 2.724 8.410 1.00 2.24 N ATOM 0 H ASN A 11 18.332 0.024 11.766 1.00 1.15 H new ATOM 0 HA ASN A 11 18.079 0.984 9.215 1.00 1.14 H new ATOM 0 HB2 ASN A 11 20.922 0.613 9.833 1.00 1.27 H new ATOM 0 HB3 ASN A 11 20.425 -0.425 8.511 1.00 1.27 H new ATOM 0 HD21 ASN A 11 19.415 3.530 7.785 1.00 2.24 H new ATOM 0 HD22 ASN A 11 18.869 2.733 9.264 1.00 2.24 H new ATOM 158 N GLU A 12 17.411 -1.562 10.399 1.00 0.69 N ATOM 159 CA GLU A 12 16.936 -2.973 10.333 1.00 0.64 C ATOM 160 C GLU A 12 15.734 -3.087 9.395 1.00 0.53 C ATOM 161 O GLU A 12 15.721 -3.906 8.498 1.00 0.76 O ATOM 162 CB GLU A 12 16.531 -3.444 11.733 1.00 0.68 C ATOM 163 CG GLU A 12 17.728 -3.331 12.681 1.00 1.23 C ATOM 164 CD GLU A 12 18.875 -4.203 12.165 1.00 0.95 C ATOM 165 OE1 GLU A 12 18.607 -5.318 11.752 1.00 2.70 O ATOM 166 OE2 GLU A 12 20.004 -3.740 12.196 1.00 1.73 O ATOM 0 H GLU A 12 16.971 -0.990 11.120 1.00 0.69 H new ATOM 0 HA GLU A 12 17.745 -3.597 9.952 1.00 0.64 H new ATOM 0 HB2 GLU A 12 15.702 -2.841 12.105 1.00 0.68 H new ATOM 0 HB3 GLU A 12 16.182 -4.476 11.693 1.00 0.68 H new ATOM 0 HG2 GLU A 12 18.051 -2.292 12.753 1.00 1.23 H new ATOM 0 HG3 GLU A 12 17.441 -3.646 13.684 1.00 1.23 H new ATOM 173 N ILE A 13 14.715 -2.295 9.589 1.00 0.21 N ATOM 174 CA ILE A 13 13.532 -2.412 8.686 1.00 0.10 C ATOM 175 C ILE A 13 13.856 -1.816 7.317 1.00 0.16 C ATOM 176 O ILE A 13 14.347 -0.709 7.209 1.00 0.25 O ATOM 177 CB ILE A 13 12.323 -1.670 9.264 1.00 0.10 C ATOM 178 CG1 ILE A 13 12.203 -1.922 10.763 1.00 0.15 C ATOM 179 CG2 ILE A 13 11.054 -2.176 8.578 1.00 0.16 C ATOM 180 CD1 ILE A 13 10.722 -2.074 11.117 1.00 0.57 C ATOM 0 H ILE A 13 14.648 -1.585 10.318 1.00 0.21 H new ATOM 0 HA ILE A 13 13.293 -3.471 8.590 1.00 0.10 H new ATOM 0 HB ILE A 13 12.453 -0.601 9.093 1.00 0.10 H new ATOM 0 HG12 ILE A 13 12.752 -2.822 11.040 1.00 0.15 H new ATOM 0 HG13 ILE A 13 12.642 -1.096 11.322 1.00 0.15 H new ATOM 0 HG21 ILE A 13 10.188 -1.653 8.984 1.00 0.16 H new ATOM 0 HG22 ILE A 13 11.121 -1.990 7.506 1.00 0.16 H new ATOM 0 HG23 ILE A 13 10.947 -3.246 8.755 1.00 0.16 H new ATOM 0 HD11 ILE A 13 10.620 -2.255 12.187 1.00 0.57 H new ATOM 0 HD12 ILE A 13 10.189 -1.161 10.851 1.00 0.57 H new ATOM 0 HD13 ILE A 13 10.300 -2.914 10.565 1.00 0.57 H new ATOM 192 N LYS A 14 13.553 -2.528 6.266 1.00 0.18 N ATOM 193 CA LYS A 14 13.812 -1.988 4.905 1.00 0.30 C ATOM 194 C LYS A 14 12.607 -1.142 4.500 1.00 0.40 C ATOM 195 O LYS A 14 12.693 -0.274 3.655 1.00 0.66 O ATOM 196 CB LYS A 14 13.983 -3.137 3.906 1.00 0.34 C ATOM 197 CG LYS A 14 14.987 -4.158 4.451 1.00 0.27 C ATOM 198 CD LYS A 14 16.252 -3.439 4.926 1.00 0.85 C ATOM 199 CE LYS A 14 17.104 -4.404 5.752 1.00 0.90 C ATOM 200 NZ LYS A 14 18.508 -3.907 5.811 1.00 0.94 N ATOM 0 H LYS A 14 13.138 -3.459 6.293 1.00 0.18 H new ATOM 0 HA LYS A 14 14.723 -1.390 4.907 1.00 0.30 H new ATOM 0 HB2 LYS A 14 13.022 -3.619 3.726 1.00 0.34 H new ATOM 0 HB3 LYS A 14 14.330 -2.749 2.948 1.00 0.34 H new ATOM 0 HG2 LYS A 14 14.542 -4.714 5.276 1.00 0.27 H new ATOM 0 HG3 LYS A 14 15.239 -4.883 3.677 1.00 0.27 H new ATOM 0 HD2 LYS A 14 16.821 -3.076 4.070 1.00 0.85 H new ATOM 0 HD3 LYS A 14 15.986 -2.568 5.524 1.00 0.85 H new ATOM 0 HE2 LYS A 14 16.697 -4.494 6.759 1.00 0.90 H new ATOM 0 HE3 LYS A 14 17.078 -5.399 5.308 1.00 0.90 H new ATOM 0 HZ1 LYS A 14 19.086 -4.564 6.373 1.00 0.94 H new ATOM 0 HZ2 LYS A 14 18.894 -3.843 4.848 1.00 0.94 H new ATOM 0 HZ3 LYS A 14 18.525 -2.966 6.254 1.00 0.94 H new ATOM 214 N LYS A 15 11.480 -1.401 5.111 1.00 0.19 N ATOM 215 CA LYS A 15 10.246 -0.632 4.788 1.00 0.27 C ATOM 216 C LYS A 15 9.019 -1.423 5.263 1.00 0.10 C ATOM 217 O LYS A 15 8.863 -2.587 4.952 1.00 0.37 O ATOM 218 CB LYS A 15 10.169 -0.421 3.274 1.00 0.59 C ATOM 219 CG LYS A 15 8.783 -0.821 2.771 1.00 0.51 C ATOM 220 CD LYS A 15 8.714 -0.624 1.257 1.00 0.79 C ATOM 221 CE LYS A 15 8.424 -1.966 0.582 1.00 0.81 C ATOM 222 NZ LYS A 15 7.572 -1.747 -0.620 1.00 1.91 N ATOM 0 H LYS A 15 11.363 -2.119 5.826 1.00 0.19 H new ATOM 0 HA LYS A 15 10.269 0.336 5.289 1.00 0.27 H new ATOM 0 HB2 LYS A 15 10.368 0.623 3.032 1.00 0.59 H new ATOM 0 HB3 LYS A 15 10.934 -1.015 2.774 1.00 0.59 H new ATOM 0 HG2 LYS A 15 8.579 -1.862 3.023 1.00 0.51 H new ATOM 0 HG3 LYS A 15 8.018 -0.219 3.262 1.00 0.51 H new ATOM 0 HD2 LYS A 15 7.935 0.096 1.008 1.00 0.79 H new ATOM 0 HD3 LYS A 15 9.655 -0.215 0.889 1.00 0.79 H new ATOM 0 HE2 LYS A 15 9.358 -2.450 0.295 1.00 0.81 H new ATOM 0 HE3 LYS A 15 7.920 -2.634 1.280 1.00 0.81 H new ATOM 0 HZ1 LYS A 15 7.376 -2.660 -1.078 1.00 1.91 H new ATOM 0 HZ2 LYS A 15 6.676 -1.303 -0.334 1.00 1.91 H new ATOM 0 HZ3 LYS A 15 8.069 -1.124 -1.289 1.00 1.91 H new ATOM 236 N VAL A 16 8.145 -0.802 6.013 1.00 0.25 N ATOM 237 CA VAL A 16 6.931 -1.525 6.499 1.00 0.48 C ATOM 238 C VAL A 16 5.678 -0.818 5.964 1.00 0.34 C ATOM 239 O VAL A 16 5.483 0.364 6.172 1.00 0.51 O ATOM 240 CB VAL A 16 6.932 -1.556 8.037 1.00 0.93 C ATOM 241 CG1 VAL A 16 7.329 -0.188 8.600 1.00 1.59 C ATOM 242 CG2 VAL A 16 5.544 -1.939 8.560 1.00 1.52 C ATOM 0 H VAL A 16 8.219 0.171 6.309 1.00 0.25 H new ATOM 0 HA VAL A 16 6.935 -2.553 6.136 1.00 0.48 H new ATOM 0 HB VAL A 16 7.659 -2.300 8.363 1.00 0.93 H new ATOM 0 HG11 VAL A 16 7.325 -0.228 9.689 1.00 1.59 H new ATOM 0 HG12 VAL A 16 8.328 0.073 8.250 1.00 1.59 H new ATOM 0 HG13 VAL A 16 6.617 0.565 8.261 1.00 1.59 H new ATOM 0 HG21 VAL A 16 5.558 -1.957 9.650 1.00 1.52 H new ATOM 0 HG22 VAL A 16 4.812 -1.207 8.219 1.00 1.52 H new ATOM 0 HG23 VAL A 16 5.273 -2.926 8.184 1.00 1.52 H new ATOM 252 N MET A 17 4.841 -1.530 5.250 1.00 0.43 N ATOM 253 CA MET A 17 3.616 -0.896 4.670 1.00 0.31 C ATOM 254 C MET A 17 2.373 -1.318 5.457 1.00 0.31 C ATOM 255 O MET A 17 2.359 -2.330 6.123 1.00 0.36 O ATOM 256 CB MET A 17 3.437 -1.332 3.206 1.00 0.32 C ATOM 257 CG MET A 17 4.680 -2.073 2.698 1.00 0.87 C ATOM 258 SD MET A 17 4.403 -3.858 2.814 1.00 1.47 S ATOM 259 CE MET A 17 5.908 -4.266 3.730 1.00 0.90 C ATOM 0 H MET A 17 4.953 -2.523 5.044 1.00 0.43 H new ATOM 0 HA MET A 17 3.737 0.186 4.725 1.00 0.31 H new ATOM 0 HB2 MET A 17 2.563 -1.978 3.119 1.00 0.32 H new ATOM 0 HB3 MET A 17 3.250 -0.458 2.583 1.00 0.32 H new ATOM 0 HG2 MET A 17 4.888 -1.792 1.666 1.00 0.87 H new ATOM 0 HG3 MET A 17 5.552 -1.790 3.287 1.00 0.87 H new ATOM 0 HE1 MET A 17 5.722 -5.128 4.370 1.00 0.90 H new ATOM 0 HE2 MET A 17 6.709 -4.501 3.028 1.00 0.90 H new ATOM 0 HE3 MET A 17 6.202 -3.415 4.344 1.00 0.90 H new ATOM 269 N VAL A 18 1.320 -0.551 5.366 1.00 0.26 N ATOM 270 CA VAL A 18 0.065 -0.908 6.085 1.00 0.26 C ATOM 271 C VAL A 18 -1.092 -0.888 5.088 1.00 0.25 C ATOM 272 O VAL A 18 -1.427 0.140 4.534 1.00 0.47 O ATOM 273 CB VAL A 18 -0.212 0.109 7.192 1.00 0.25 C ATOM 274 CG1 VAL A 18 -1.404 -0.363 8.029 1.00 0.31 C ATOM 275 CG2 VAL A 18 1.022 0.239 8.087 1.00 0.33 C ATOM 0 H VAL A 18 1.276 0.311 4.822 1.00 0.26 H new ATOM 0 HA VAL A 18 0.169 -1.898 6.528 1.00 0.26 H new ATOM 0 HB VAL A 18 -0.440 1.078 6.748 1.00 0.25 H new ATOM 0 HG11 VAL A 18 -1.603 0.361 8.819 1.00 0.31 H new ATOM 0 HG12 VAL A 18 -2.283 -0.455 7.391 1.00 0.31 H new ATOM 0 HG13 VAL A 18 -1.176 -1.332 8.474 1.00 0.31 H new ATOM 0 HG21 VAL A 18 0.824 0.964 8.876 1.00 0.33 H new ATOM 0 HG22 VAL A 18 1.252 -0.729 8.533 1.00 0.33 H new ATOM 0 HG23 VAL A 18 1.870 0.574 7.490 1.00 0.33 H new ATOM 285 N ASP A 19 -1.701 -2.013 4.848 1.00 0.88 N ATOM 286 CA ASP A 19 -2.831 -2.051 3.878 1.00 0.90 C ATOM 287 C ASP A 19 -4.027 -1.284 4.447 1.00 0.79 C ATOM 288 O ASP A 19 -4.873 -1.840 5.119 1.00 0.90 O ATOM 289 CB ASP A 19 -3.226 -3.505 3.620 1.00 1.23 C ATOM 290 CG ASP A 19 -2.317 -4.093 2.540 1.00 2.48 C ATOM 291 OD1 ASP A 19 -2.337 -3.580 1.434 1.00 2.76 O ATOM 292 OD2 ASP A 19 -1.613 -5.043 2.840 1.00 3.48 O ATOM 0 H ASP A 19 -1.467 -2.907 5.280 1.00 0.88 H new ATOM 0 HA ASP A 19 -2.523 -1.586 2.942 1.00 0.90 H new ATOM 0 HB2 ASP A 19 -3.140 -4.085 4.539 1.00 1.23 H new ATOM 0 HB3 ASP A 19 -4.268 -3.560 3.304 1.00 1.23 H new ATOM 297 N GLY A 20 -4.104 -0.007 4.180 1.00 0.69 N ATOM 298 CA GLY A 20 -5.244 0.799 4.703 1.00 0.70 C ATOM 299 C GLY A 20 -4.888 2.284 4.638 1.00 0.59 C ATOM 300 O GLY A 20 -5.510 3.052 3.930 1.00 0.58 O ATOM 0 H GLY A 20 -3.426 0.512 3.622 1.00 0.69 H new ATOM 0 HA2 GLY A 20 -6.142 0.603 4.117 1.00 0.70 H new ATOM 0 HA3 GLY A 20 -5.466 0.512 5.731 1.00 0.70 H new ATOM 304 N CYS A 21 -3.887 2.695 5.368 1.00 0.63 N ATOM 305 CA CYS A 21 -3.484 4.131 5.347 1.00 0.56 C ATOM 306 C CYS A 21 -2.438 4.345 4.252 1.00 0.32 C ATOM 307 O CYS A 21 -1.723 3.437 3.879 1.00 0.52 O ATOM 308 CB CYS A 21 -2.891 4.514 6.703 1.00 0.66 C ATOM 309 SG CYS A 21 -2.200 6.185 6.606 1.00 0.67 S ATOM 0 H CYS A 21 -3.330 2.098 5.979 1.00 0.63 H new ATOM 0 HA CYS A 21 -4.356 4.753 5.146 1.00 0.56 H new ATOM 0 HB2 CYS A 21 -3.660 4.471 7.474 1.00 0.66 H new ATOM 0 HB3 CYS A 21 -2.115 3.803 6.987 1.00 0.66 H new ATOM 314 N HIS A 22 -2.343 5.538 3.731 1.00 0.47 N ATOM 315 CA HIS A 22 -1.345 5.802 2.656 1.00 0.24 C ATOM 316 C HIS A 22 -0.050 6.347 3.272 1.00 0.30 C ATOM 317 O HIS A 22 0.135 6.330 4.473 1.00 2.45 O ATOM 318 CB HIS A 22 -1.914 6.831 1.677 1.00 0.38 C ATOM 319 CG HIS A 22 -2.729 6.130 0.623 1.00 1.11 C ATOM 320 ND1 HIS A 22 -4.115 6.169 0.613 1.00 1.41 N ATOM 321 CD2 HIS A 22 -2.367 5.370 -0.462 1.00 2.51 C ATOM 322 CE1 HIS A 22 -4.533 5.450 -0.447 1.00 1.81 C ATOM 323 NE2 HIS A 22 -3.507 4.941 -1.136 1.00 2.70 N ATOM 0 H HIS A 22 -2.912 6.340 4.003 1.00 0.47 H new ATOM 0 HA HIS A 22 -1.129 4.873 2.128 1.00 0.24 H new ATOM 0 HB2 HIS A 22 -2.534 7.551 2.211 1.00 0.38 H new ATOM 0 HB3 HIS A 22 -1.103 7.391 1.211 1.00 0.38 H new ATOM 0 HD2 HIS A 22 -1.352 5.140 -0.749 1.00 2.51 H new ATOM 0 HE1 HIS A 22 -5.571 5.303 -0.708 1.00 1.81 H new ATOM 0 HE2 HIS A 22 -3.550 4.363 -1.975 1.00 2.70 H new ATOM 331 N GLY A 23 0.844 6.832 2.452 1.00 1.89 N ATOM 332 CA GLY A 23 2.125 7.380 2.972 1.00 1.77 C ATOM 333 C GLY A 23 2.116 8.900 2.839 1.00 2.10 C ATOM 334 O GLY A 23 1.421 9.456 2.012 1.00 3.91 O ATOM 0 H GLY A 23 0.739 6.871 1.438 1.00 1.89 H new ATOM 0 HA2 GLY A 23 2.258 7.096 4.016 1.00 1.77 H new ATOM 0 HA3 GLY A 23 2.965 6.960 2.418 1.00 1.77 H new ATOM 338 N SER A 24 2.871 9.582 3.654 1.00 0.59 N ATOM 339 CA SER A 24 2.889 11.067 3.578 1.00 0.68 C ATOM 340 C SER A 24 1.521 11.607 4.007 1.00 0.76 C ATOM 341 O SER A 24 1.258 12.791 3.929 1.00 1.70 O ATOM 342 CB SER A 24 3.192 11.502 2.143 1.00 0.68 C ATOM 343 OG SER A 24 3.947 12.707 2.167 1.00 1.40 O ATOM 0 H SER A 24 3.475 9.175 4.368 1.00 0.59 H new ATOM 0 HA SER A 24 3.660 11.462 4.240 1.00 0.68 H new ATOM 0 HB2 SER A 24 3.748 10.721 1.624 1.00 0.68 H new ATOM 0 HB3 SER A 24 2.263 11.652 1.592 1.00 0.68 H new ATOM 0 HG SER A 24 4.144 12.988 1.249 1.00 1.40 H new ATOM 349 N ASP A 25 0.650 10.745 4.469 1.00 0.48 N ATOM 350 CA ASP A 25 -0.695 11.200 4.913 1.00 0.42 C ATOM 351 C ASP A 25 -0.952 10.655 6.319 1.00 0.40 C ATOM 352 O ASP A 25 -0.335 9.693 6.732 1.00 0.51 O ATOM 353 CB ASP A 25 -1.765 10.666 3.955 1.00 0.46 C ATOM 354 CG ASP A 25 -1.795 11.518 2.683 1.00 1.30 C ATOM 355 OD1 ASP A 25 -2.009 12.714 2.800 1.00 0.55 O ATOM 356 OD2 ASP A 25 -1.607 10.960 1.615 1.00 2.75 O ATOM 0 H ASP A 25 0.817 9.743 4.557 1.00 0.48 H new ATOM 0 HA ASP A 25 -0.736 12.289 4.918 1.00 0.42 H new ATOM 0 HB2 ASP A 25 -1.554 9.627 3.703 1.00 0.46 H new ATOM 0 HB3 ASP A 25 -2.741 10.685 4.439 1.00 0.46 H new ATOM 361 N PRO A 26 -1.852 11.292 7.015 1.00 0.46 N ATOM 362 CA PRO A 26 -2.218 10.904 8.387 1.00 0.45 C ATOM 363 C PRO A 26 -3.164 9.699 8.366 1.00 0.13 C ATOM 364 O PRO A 26 -3.958 9.539 7.461 1.00 0.24 O ATOM 365 CB PRO A 26 -2.924 12.148 8.932 1.00 0.68 C ATOM 366 CG PRO A 26 -3.423 12.942 7.700 1.00 0.83 C ATOM 367 CD PRO A 26 -2.589 12.461 6.497 1.00 0.67 C ATOM 0 HA PRO A 26 -1.363 10.606 8.994 1.00 0.45 H new ATOM 0 HB2 PRO A 26 -3.757 11.870 9.578 1.00 0.68 H new ATOM 0 HB3 PRO A 26 -2.242 12.750 9.532 1.00 0.68 H new ATOM 0 HG2 PRO A 26 -4.485 12.766 7.530 1.00 0.83 H new ATOM 0 HG3 PRO A 26 -3.298 14.014 7.854 1.00 0.83 H new ATOM 0 HD2 PRO A 26 -3.225 12.190 5.654 1.00 0.67 H new ATOM 0 HD3 PRO A 26 -1.909 13.238 6.147 1.00 0.67 H new ATOM 375 N CYS A 27 -3.081 8.850 9.353 1.00 0.38 N ATOM 376 CA CYS A 27 -3.974 7.657 9.381 1.00 0.50 C ATOM 377 C CYS A 27 -4.910 7.742 10.587 1.00 0.37 C ATOM 378 O CYS A 27 -4.607 8.371 11.582 1.00 0.38 O ATOM 379 CB CYS A 27 -3.126 6.387 9.478 1.00 0.95 C ATOM 380 SG CYS A 27 -1.619 6.592 8.496 1.00 0.56 S ATOM 0 H CYS A 27 -2.436 8.930 10.139 1.00 0.38 H new ATOM 0 HA CYS A 27 -4.567 7.628 8.467 1.00 0.50 H new ATOM 0 HB2 CYS A 27 -2.870 6.186 10.518 1.00 0.95 H new ATOM 0 HB3 CYS A 27 -3.694 5.529 9.118 1.00 0.95 H new ATOM 385 N ILE A 28 -6.048 7.110 10.504 1.00 0.37 N ATOM 386 CA ILE A 28 -7.009 7.143 11.633 1.00 0.33 C ATOM 387 C ILE A 28 -7.105 5.750 12.252 1.00 0.31 C ATOM 388 O ILE A 28 -7.588 4.820 11.639 1.00 0.42 O ATOM 389 CB ILE A 28 -8.387 7.564 11.121 1.00 0.41 C ATOM 390 CG1 ILE A 28 -8.300 8.964 10.509 1.00 0.47 C ATOM 391 CG2 ILE A 28 -9.373 7.578 12.288 1.00 0.35 C ATOM 392 CD1 ILE A 28 -7.755 9.946 11.549 1.00 0.39 C ATOM 0 H ILE A 28 -6.352 6.569 9.695 1.00 0.37 H new ATOM 0 HA ILE A 28 -6.667 7.857 12.382 1.00 0.33 H new ATOM 0 HB ILE A 28 -8.727 6.859 10.362 1.00 0.41 H new ATOM 0 HG12 ILE A 28 -7.652 8.949 9.633 1.00 0.47 H new ATOM 0 HG13 ILE A 28 -9.285 9.286 10.171 1.00 0.47 H new ATOM 0 HG21 ILE A 28 -10.358 7.878 11.929 1.00 0.35 H new ATOM 0 HG22 ILE A 28 -9.434 6.581 12.725 1.00 0.35 H new ATOM 0 HG23 ILE A 28 -9.032 8.285 13.044 1.00 0.35 H new ATOM 0 HD11 ILE A 28 -7.694 10.942 11.111 1.00 0.39 H new ATOM 0 HD12 ILE A 28 -8.421 9.969 12.412 1.00 0.39 H new ATOM 0 HD13 ILE A 28 -6.762 9.627 11.865 1.00 0.39 H new ATOM 404 N ILE A 29 -6.655 5.599 13.460 1.00 0.23 N ATOM 405 CA ILE A 29 -6.727 4.267 14.114 1.00 0.23 C ATOM 406 C ILE A 29 -7.997 4.198 14.959 1.00 0.25 C ATOM 407 O ILE A 29 -8.202 4.990 15.857 1.00 0.15 O ATOM 408 CB ILE A 29 -5.501 4.073 15.005 1.00 0.17 C ATOM 409 CG1 ILE A 29 -4.258 3.901 14.129 1.00 0.37 C ATOM 410 CG2 ILE A 29 -5.691 2.829 15.873 1.00 0.30 C ATOM 411 CD1 ILE A 29 -3.058 4.559 14.814 1.00 0.76 C ATOM 0 H ILE A 29 -6.240 6.340 14.025 1.00 0.23 H new ATOM 0 HA ILE A 29 -6.748 3.481 13.359 1.00 0.23 H new ATOM 0 HB ILE A 29 -5.376 4.945 15.647 1.00 0.17 H new ATOM 0 HG12 ILE A 29 -4.060 2.842 13.963 1.00 0.37 H new ATOM 0 HG13 ILE A 29 -4.424 4.351 13.150 1.00 0.37 H new ATOM 0 HG21 ILE A 29 -4.816 2.691 16.508 1.00 0.30 H new ATOM 0 HG22 ILE A 29 -6.576 2.952 16.497 1.00 0.30 H new ATOM 0 HG23 ILE A 29 -5.816 1.955 15.234 1.00 0.30 H new ATOM 0 HD11 ILE A 29 -2.172 4.437 14.191 1.00 0.76 H new ATOM 0 HD12 ILE A 29 -3.258 5.621 14.957 1.00 0.76 H new ATOM 0 HD13 ILE A 29 -2.888 4.088 15.782 1.00 0.76 H new ATOM 423 N HIS A 30 -8.855 3.261 14.673 1.00 0.39 N ATOM 424 CA HIS A 30 -10.116 3.146 15.453 1.00 0.41 C ATOM 425 C HIS A 30 -9.880 2.276 16.684 1.00 0.43 C ATOM 426 O HIS A 30 -9.284 1.221 16.608 1.00 0.94 O ATOM 427 CB HIS A 30 -11.197 2.508 14.580 1.00 0.61 C ATOM 428 CG HIS A 30 -11.069 3.021 13.172 1.00 0.91 C ATOM 429 ND1 HIS A 30 -10.757 4.342 12.892 1.00 1.68 N ATOM 430 CD2 HIS A 30 -11.210 2.404 11.954 1.00 1.88 C ATOM 431 CE1 HIS A 30 -10.721 4.475 11.553 1.00 1.61 C ATOM 432 NE2 HIS A 30 -10.989 3.324 10.933 1.00 1.70 N ATOM 0 H HIS A 30 -8.737 2.570 13.932 1.00 0.39 H new ATOM 0 HA HIS A 30 -10.438 4.139 15.768 1.00 0.41 H new ATOM 0 HB2 HIS A 30 -11.097 1.423 14.594 1.00 0.61 H new ATOM 0 HB3 HIS A 30 -12.185 2.743 14.976 1.00 0.61 H new ATOM 0 HD2 HIS A 30 -11.455 1.362 11.810 1.00 1.88 H new ATOM 0 HE1 HIS A 30 -10.502 5.401 11.042 1.00 1.61 H new ATOM 0 HE2 HIS A 30 -11.024 3.155 9.928 1.00 1.70 H new ATOM 440 N ARG A 31 -10.345 2.707 17.822 1.00 0.62 N ATOM 441 CA ARG A 31 -10.149 1.892 19.048 1.00 0.65 C ATOM 442 C ARG A 31 -10.702 0.486 18.803 1.00 0.39 C ATOM 443 O ARG A 31 -11.783 0.316 18.273 1.00 0.64 O ATOM 444 CB ARG A 31 -10.884 2.538 20.225 1.00 1.06 C ATOM 445 CG ARG A 31 -10.806 4.061 20.111 1.00 0.77 C ATOM 446 CD ARG A 31 -10.809 4.671 21.510 1.00 0.65 C ATOM 447 NE ARG A 31 -12.208 4.756 22.013 1.00 0.59 N ATOM 448 CZ ARG A 31 -12.445 5.283 23.183 1.00 0.54 C ATOM 449 NH1 ARG A 31 -11.569 5.160 24.143 1.00 1.73 N ATOM 450 NH2 ARG A 31 -13.558 5.932 23.393 1.00 1.37 N ATOM 0 H ARG A 31 -10.849 3.584 17.955 1.00 0.62 H new ATOM 0 HA ARG A 31 -9.086 1.835 19.284 1.00 0.65 H new ATOM 0 HB2 ARG A 31 -11.926 2.218 20.235 1.00 1.06 H new ATOM 0 HB3 ARG A 31 -10.441 2.211 21.166 1.00 1.06 H new ATOM 0 HG2 ARG A 31 -9.901 4.352 19.577 1.00 0.77 H new ATOM 0 HG3 ARG A 31 -11.651 4.438 19.535 1.00 0.77 H new ATOM 0 HD2 ARG A 31 -10.205 4.063 22.184 1.00 0.65 H new ATOM 0 HD3 ARG A 31 -10.359 5.664 21.486 1.00 0.65 H new ATOM 0 HE ARG A 31 -12.978 4.404 21.445 1.00 0.59 H new ATOM 0 HH11 ARG A 31 -10.700 4.652 23.978 1.00 1.73 H new ATOM 0 HH12 ARG A 31 -11.754 5.572 25.058 1.00 1.73 H new ATOM 0 HH21 ARG A 31 -14.242 6.027 22.643 1.00 1.37 H new ATOM 0 HH22 ARG A 31 -13.743 6.344 24.308 1.00 1.37 H new ATOM 464 N GLY A 32 -9.971 -0.519 19.191 1.00 0.49 N ATOM 465 CA GLY A 32 -10.446 -1.918 18.993 1.00 0.84 C ATOM 466 C GLY A 32 -10.453 -2.293 17.501 1.00 0.59 C ATOM 467 O GLY A 32 -11.126 -3.222 17.100 1.00 0.42 O ATOM 0 H GLY A 32 -9.059 -0.433 19.640 1.00 0.49 H new ATOM 0 HA2 GLY A 32 -9.802 -2.605 19.541 1.00 0.84 H new ATOM 0 HA3 GLY A 32 -11.450 -2.026 19.403 1.00 0.84 H new ATOM 471 N LYS A 33 -9.713 -1.599 16.672 1.00 0.72 N ATOM 472 CA LYS A 33 -9.696 -1.951 15.232 1.00 0.66 C ATOM 473 C LYS A 33 -8.322 -2.557 14.899 1.00 0.56 C ATOM 474 O LYS A 33 -7.310 -2.086 15.370 1.00 0.62 O ATOM 475 CB LYS A 33 -9.958 -0.682 14.417 1.00 0.92 C ATOM 476 CG LYS A 33 -9.541 -0.884 12.969 1.00 0.59 C ATOM 477 CD LYS A 33 -8.541 0.199 12.567 1.00 0.86 C ATOM 478 CE LYS A 33 -7.224 -0.469 12.207 1.00 3.45 C ATOM 479 NZ LYS A 33 -6.884 -0.172 10.786 1.00 3.31 N ATOM 0 H LYS A 33 -9.125 -0.808 16.935 1.00 0.72 H new ATOM 0 HA LYS A 33 -10.468 -2.682 14.990 1.00 0.66 H new ATOM 0 HB2 LYS A 33 -11.016 -0.424 14.464 1.00 0.92 H new ATOM 0 HB3 LYS A 33 -9.407 0.154 14.847 1.00 0.92 H new ATOM 0 HG2 LYS A 33 -9.094 -1.870 12.843 1.00 0.59 H new ATOM 0 HG3 LYS A 33 -10.415 -0.845 12.319 1.00 0.59 H new ATOM 0 HD2 LYS A 33 -8.921 0.769 11.719 1.00 0.86 H new ATOM 0 HD3 LYS A 33 -8.397 0.904 13.386 1.00 0.86 H new ATOM 0 HE2 LYS A 33 -6.431 -0.110 12.864 1.00 3.45 H new ATOM 0 HE3 LYS A 33 -7.298 -1.546 12.356 1.00 3.45 H new ATOM 0 HZ1 LYS A 33 -6.980 -1.038 10.218 1.00 3.31 H new ATOM 0 HZ2 LYS A 33 -7.530 0.556 10.419 1.00 3.31 H new ATOM 0 HZ3 LYS A 33 -5.905 0.174 10.728 1.00 3.31 H new ATOM 493 N PRO A 34 -8.337 -3.606 14.120 1.00 0.44 N ATOM 494 CA PRO A 34 -7.109 -4.337 13.734 1.00 0.38 C ATOM 495 C PRO A 34 -6.280 -3.566 12.701 1.00 0.38 C ATOM 496 O PRO A 34 -6.696 -3.355 11.579 1.00 0.45 O ATOM 497 CB PRO A 34 -7.643 -5.645 13.144 1.00 0.38 C ATOM 498 CG PRO A 34 -9.103 -5.362 12.713 1.00 0.45 C ATOM 499 CD PRO A 34 -9.577 -4.152 13.541 1.00 0.45 C ATOM 0 HA PRO A 34 -6.436 -4.488 14.578 1.00 0.38 H new ATOM 0 HB2 PRO A 34 -7.041 -5.962 12.293 1.00 0.38 H new ATOM 0 HB3 PRO A 34 -7.603 -6.448 13.880 1.00 0.38 H new ATOM 0 HG2 PRO A 34 -9.158 -5.147 11.646 1.00 0.45 H new ATOM 0 HG3 PRO A 34 -9.737 -6.230 12.896 1.00 0.45 H new ATOM 0 HD2 PRO A 34 -10.084 -3.416 12.917 1.00 0.45 H new ATOM 0 HD3 PRO A 34 -10.282 -4.451 14.317 1.00 0.45 H new ATOM 507 N PHE A 35 -5.095 -3.168 13.082 1.00 0.39 N ATOM 508 CA PHE A 35 -4.197 -2.427 12.150 1.00 0.41 C ATOM 509 C PHE A 35 -3.191 -3.420 11.567 1.00 0.40 C ATOM 510 O PHE A 35 -2.337 -3.933 12.263 1.00 0.60 O ATOM 511 CB PHE A 35 -3.446 -1.349 12.933 1.00 0.55 C ATOM 512 CG PHE A 35 -3.288 -0.103 12.093 1.00 0.44 C ATOM 513 CD1 PHE A 35 -2.237 -0.003 11.176 1.00 0.39 C ATOM 514 CD2 PHE A 35 -4.192 0.956 12.237 1.00 0.96 C ATOM 515 CE1 PHE A 35 -2.088 1.154 10.404 1.00 0.24 C ATOM 516 CE2 PHE A 35 -4.047 2.112 11.467 1.00 1.06 C ATOM 517 CZ PHE A 35 -2.994 2.213 10.548 1.00 0.56 C ATOM 0 H PHE A 35 -4.707 -3.327 14.012 1.00 0.39 H new ATOM 0 HA PHE A 35 -4.775 -1.961 11.352 1.00 0.41 H new ATOM 0 HB2 PHE A 35 -3.987 -1.112 13.849 1.00 0.55 H new ATOM 0 HB3 PHE A 35 -2.466 -1.722 13.230 1.00 0.55 H new ATOM 0 HD1 PHE A 35 -1.540 -0.820 11.064 1.00 0.39 H new ATOM 0 HD2 PHE A 35 -5.004 0.879 12.945 1.00 0.96 H new ATOM 0 HE1 PHE A 35 -1.275 1.231 9.697 1.00 0.24 H new ATOM 0 HE2 PHE A 35 -4.746 2.928 11.580 1.00 1.06 H new ATOM 0 HZ PHE A 35 -2.881 3.106 9.951 1.00 0.56 H new ATOM 527 N THR A 36 -3.285 -3.703 10.302 1.00 0.33 N ATOM 528 CA THR A 36 -2.340 -4.679 9.691 1.00 0.55 C ATOM 529 C THR A 36 -1.083 -3.958 9.215 1.00 0.44 C ATOM 530 O THR A 36 -1.148 -2.981 8.494 1.00 0.39 O ATOM 531 CB THR A 36 -3.004 -5.373 8.501 1.00 0.76 C ATOM 532 OG1 THR A 36 -4.162 -6.069 8.941 1.00 0.95 O ATOM 533 CG2 THR A 36 -2.019 -6.365 7.874 1.00 0.94 C ATOM 0 H THR A 36 -3.973 -3.303 9.664 1.00 0.33 H new ATOM 0 HA THR A 36 -2.070 -5.422 10.441 1.00 0.55 H new ATOM 0 HB THR A 36 -3.290 -4.627 7.760 1.00 0.76 H new ATOM 0 HG1 THR A 36 -4.587 -6.512 8.177 1.00 0.95 H new ATOM 0 HG21 THR A 36 -2.492 -6.860 7.026 1.00 0.94 H new ATOM 0 HG22 THR A 36 -1.132 -5.831 7.534 1.00 0.94 H new ATOM 0 HG23 THR A 36 -1.732 -7.111 8.615 1.00 0.94 H new ATOM 541 N LEU A 37 0.061 -4.441 9.603 1.00 0.43 N ATOM 542 CA LEU A 37 1.325 -3.794 9.166 1.00 0.34 C ATOM 543 C LEU A 37 2.362 -4.874 8.853 1.00 0.34 C ATOM 544 O LEU A 37 2.691 -5.695 9.686 1.00 0.33 O ATOM 545 CB LEU A 37 1.850 -2.891 10.286 1.00 0.34 C ATOM 546 CG LEU A 37 1.882 -3.679 11.598 1.00 1.05 C ATOM 547 CD1 LEU A 37 3.279 -3.589 12.221 1.00 3.62 C ATOM 548 CD2 LEU A 37 0.856 -3.089 12.567 1.00 1.34 C ATOM 0 H LEU A 37 0.175 -5.257 10.205 1.00 0.43 H new ATOM 0 HA LEU A 37 1.140 -3.195 8.275 1.00 0.34 H new ATOM 0 HB2 LEU A 37 2.849 -2.531 10.040 1.00 0.34 H new ATOM 0 HB3 LEU A 37 1.212 -2.014 10.391 1.00 0.34 H new ATOM 0 HG LEU A 37 1.642 -4.723 11.399 1.00 1.05 H new ATOM 0 HD11 LEU A 37 3.298 -4.151 13.155 1.00 3.62 H new ATOM 0 HD12 LEU A 37 4.013 -4.006 11.531 1.00 3.62 H new ATOM 0 HD13 LEU A 37 3.522 -2.545 12.421 1.00 3.62 H new ATOM 0 HD21 LEU A 37 0.876 -3.648 13.503 1.00 1.34 H new ATOM 0 HD22 LEU A 37 1.099 -2.045 12.763 1.00 1.34 H new ATOM 0 HD23 LEU A 37 -0.139 -3.154 12.127 1.00 1.34 H new ATOM 560 N GLU A 38 2.889 -4.865 7.662 1.00 0.36 N ATOM 561 CA GLU A 38 3.919 -5.870 7.285 1.00 0.37 C ATOM 562 C GLU A 38 5.270 -5.164 7.271 1.00 0.40 C ATOM 563 O GLU A 38 5.425 -4.136 6.643 1.00 0.40 O ATOM 564 CB GLU A 38 3.607 -6.417 5.892 1.00 0.38 C ATOM 565 CG GLU A 38 3.915 -7.914 5.842 1.00 0.38 C ATOM 566 CD GLU A 38 3.905 -8.382 4.385 1.00 0.40 C ATOM 567 OE1 GLU A 38 4.881 -8.134 3.699 1.00 0.66 O ATOM 568 OE2 GLU A 38 2.918 -8.974 3.981 1.00 0.92 O ATOM 0 H GLU A 38 2.648 -4.199 6.928 1.00 0.36 H new ATOM 0 HA GLU A 38 3.930 -6.699 7.993 1.00 0.37 H new ATOM 0 HB2 GLU A 38 2.558 -6.244 5.650 1.00 0.38 H new ATOM 0 HB3 GLU A 38 4.198 -5.890 5.143 1.00 0.38 H new ATOM 0 HG2 GLU A 38 4.887 -8.113 6.293 1.00 0.38 H new ATOM 0 HG3 GLU A 38 3.176 -8.469 6.420 1.00 0.38 H new ATOM 575 N ALA A 39 6.246 -5.670 7.968 1.00 0.41 N ATOM 576 CA ALA A 39 7.550 -4.963 7.983 1.00 0.44 C ATOM 577 C ALA A 39 8.693 -5.919 7.659 1.00 0.36 C ATOM 578 O ALA A 39 8.813 -6.982 8.237 1.00 0.43 O ATOM 579 CB ALA A 39 7.770 -4.363 9.373 1.00 0.47 C ATOM 0 H ALA A 39 6.199 -6.527 8.518 1.00 0.41 H new ATOM 0 HA ALA A 39 7.534 -4.178 7.226 1.00 0.44 H new ATOM 0 HB1 ALA A 39 8.726 -3.840 9.396 1.00 0.47 H new ATOM 0 HB2 ALA A 39 6.967 -3.661 9.597 1.00 0.47 H new ATOM 0 HB3 ALA A 39 7.774 -5.160 10.117 1.00 0.47 H new ATOM 585 N LEU A 40 9.560 -5.526 6.765 1.00 0.23 N ATOM 586 CA LEU A 40 10.725 -6.383 6.432 1.00 0.16 C ATOM 587 C LEU A 40 11.887 -5.908 7.286 1.00 0.09 C ATOM 588 O LEU A 40 12.022 -4.733 7.549 1.00 0.09 O ATOM 589 CB LEU A 40 11.101 -6.231 4.959 1.00 0.19 C ATOM 590 CG LEU A 40 9.865 -6.401 4.087 1.00 0.28 C ATOM 591 CD1 LEU A 40 10.045 -5.588 2.805 1.00 0.33 C ATOM 592 CD2 LEU A 40 9.696 -7.879 3.739 1.00 0.33 C ATOM 0 H LEU A 40 9.508 -4.646 6.252 1.00 0.23 H new ATOM 0 HA LEU A 40 10.486 -7.430 6.619 1.00 0.16 H new ATOM 0 HB2 LEU A 40 11.545 -5.250 4.788 1.00 0.19 H new ATOM 0 HB3 LEU A 40 11.852 -6.973 4.688 1.00 0.19 H new ATOM 0 HG LEU A 40 8.981 -6.051 4.620 1.00 0.28 H new ATOM 0 HD11 LEU A 40 9.164 -5.704 2.174 1.00 0.33 H new ATOM 0 HD12 LEU A 40 10.175 -4.535 3.057 1.00 0.33 H new ATOM 0 HD13 LEU A 40 10.925 -5.944 2.269 1.00 0.33 H new ATOM 0 HD21 LEU A 40 8.812 -8.007 3.114 1.00 0.33 H new ATOM 0 HD22 LEU A 40 10.576 -8.228 3.199 1.00 0.33 H new ATOM 0 HD23 LEU A 40 9.580 -8.458 4.655 1.00 0.33 H new ATOM 604 N PHE A 41 12.723 -6.790 7.731 1.00 0.06 N ATOM 605 CA PHE A 41 13.857 -6.338 8.574 1.00 0.05 C ATOM 606 C PHE A 41 14.960 -7.386 8.562 1.00 0.06 C ATOM 607 O PHE A 41 14.708 -8.568 8.685 1.00 0.07 O ATOM 608 CB PHE A 41 13.370 -6.117 10.002 1.00 0.12 C ATOM 609 CG PHE A 41 12.641 -7.344 10.476 1.00 0.15 C ATOM 610 CD1 PHE A 41 13.355 -8.376 11.084 1.00 0.15 C ATOM 611 CD2 PHE A 41 11.254 -7.441 10.315 1.00 0.23 C ATOM 612 CE1 PHE A 41 12.685 -9.516 11.534 1.00 0.16 C ATOM 613 CE2 PHE A 41 10.576 -8.582 10.764 1.00 0.28 C ATOM 614 CZ PHE A 41 11.293 -9.622 11.378 1.00 0.22 C ATOM 0 H PHE A 41 12.675 -7.793 7.553 1.00 0.06 H new ATOM 0 HA PHE A 41 14.252 -5.403 8.177 1.00 0.05 H new ATOM 0 HB2 PHE A 41 14.215 -5.906 10.658 1.00 0.12 H new ATOM 0 HB3 PHE A 41 12.711 -5.250 10.043 1.00 0.12 H new ATOM 0 HD1 PHE A 41 14.425 -8.294 11.207 1.00 0.15 H new ATOM 0 HD2 PHE A 41 10.707 -6.637 9.845 1.00 0.23 H new ATOM 0 HE1 PHE A 41 13.238 -10.317 12.002 1.00 0.16 H new ATOM 0 HE2 PHE A 41 9.506 -8.661 10.638 1.00 0.28 H new ATOM 0 HZ PHE A 41 10.775 -10.502 11.730 1.00 0.22 H new ATOM 624 N ASP A 42 16.183 -6.969 8.435 1.00 0.07 N ATOM 625 CA ASP A 42 17.293 -7.959 8.434 1.00 0.10 C ATOM 626 C ASP A 42 17.666 -8.271 9.874 1.00 0.14 C ATOM 627 O ASP A 42 18.181 -7.438 10.593 1.00 0.14 O ATOM 628 CB ASP A 42 18.512 -7.392 7.701 1.00 0.14 C ATOM 629 CG ASP A 42 18.503 -7.870 6.249 1.00 0.73 C ATOM 630 OD1 ASP A 42 18.572 -9.070 6.040 1.00 1.39 O ATOM 631 OD2 ASP A 42 18.427 -7.028 5.370 1.00 1.37 O ATOM 0 H ASP A 42 16.464 -5.994 8.332 1.00 0.07 H new ATOM 0 HA ASP A 42 16.971 -8.866 7.922 1.00 0.10 H new ATOM 0 HB2 ASP A 42 18.496 -6.303 7.736 1.00 0.14 H new ATOM 0 HB3 ASP A 42 19.429 -7.714 8.195 1.00 0.14 H new ATOM 636 N ALA A 43 17.404 -9.470 10.297 1.00 0.17 N ATOM 637 CA ALA A 43 17.730 -9.852 11.686 1.00 0.22 C ATOM 638 C ALA A 43 19.139 -9.353 12.016 1.00 0.22 C ATOM 639 O ALA A 43 20.118 -9.838 11.485 1.00 0.26 O ATOM 640 CB ALA A 43 17.680 -11.370 11.776 1.00 0.26 C ATOM 0 H ALA A 43 16.975 -10.205 9.734 1.00 0.17 H new ATOM 0 HA ALA A 43 17.023 -9.414 12.391 1.00 0.22 H new ATOM 0 HB1 ALA A 43 17.917 -11.682 12.793 1.00 0.26 H new ATOM 0 HB2 ALA A 43 16.681 -11.717 11.514 1.00 0.26 H new ATOM 0 HB3 ALA A 43 18.406 -11.800 11.086 1.00 0.26 H new ATOM 646 N ASN A 44 19.251 -8.382 12.878 1.00 0.19 N ATOM 647 CA ASN A 44 20.597 -7.849 13.225 1.00 0.19 C ATOM 648 C ASN A 44 21.267 -8.776 14.240 1.00 0.25 C ATOM 649 O ASN A 44 22.345 -8.505 14.728 1.00 0.20 O ATOM 650 CB ASN A 44 20.450 -6.441 13.814 1.00 0.16 C ATOM 651 CG ASN A 44 20.929 -6.429 15.266 1.00 0.73 C ATOM 652 OD1 ASN A 44 22.112 -6.358 15.530 1.00 1.37 O ATOM 653 ND2 ASN A 44 20.050 -6.481 16.228 1.00 1.13 N ATOM 0 H ASN A 44 18.469 -7.935 13.357 1.00 0.19 H new ATOM 0 HA ASN A 44 21.215 -7.798 12.329 1.00 0.19 H new ATOM 0 HB2 ASN A 44 21.029 -5.729 13.225 1.00 0.16 H new ATOM 0 HB3 ASN A 44 19.408 -6.124 13.763 1.00 0.16 H new ATOM 0 HD21 ASN A 44 20.357 -6.462 17.201 1.00 1.13 H new ATOM 0 HD22 ASN A 44 19.056 -6.541 16.008 1.00 1.13 H new ATOM 660 N GLN A 45 20.643 -9.877 14.557 1.00 0.36 N ATOM 661 CA GLN A 45 21.254 -10.816 15.537 1.00 0.42 C ATOM 662 C GLN A 45 20.547 -12.173 15.461 1.00 0.41 C ATOM 663 O GLN A 45 19.415 -12.270 15.029 1.00 0.46 O ATOM 664 CB GLN A 45 21.127 -10.249 16.949 1.00 0.47 C ATOM 665 CG GLN A 45 19.769 -9.563 17.113 1.00 1.08 C ATOM 666 CD GLN A 45 19.850 -8.527 18.235 1.00 0.86 C ATOM 667 OE1 GLN A 45 20.904 -7.984 18.502 1.00 0.86 O ATOM 668 NE2 GLN A 45 18.774 -8.228 18.910 1.00 1.16 N ATOM 0 H GLN A 45 19.740 -10.166 14.181 1.00 0.36 H new ATOM 0 HA GLN A 45 22.310 -10.945 15.297 1.00 0.42 H new ATOM 0 HB2 GLN A 45 21.232 -11.049 17.682 1.00 0.47 H new ATOM 0 HB3 GLN A 45 21.930 -9.536 17.138 1.00 0.47 H new ATOM 0 HG2 GLN A 45 19.479 -9.081 16.179 1.00 1.08 H new ATOM 0 HG3 GLN A 45 19.002 -10.303 17.342 1.00 1.08 H new ATOM 0 HE21 GLN A 45 17.889 -8.683 18.687 1.00 1.16 H new ATOM 0 HE22 GLN A 45 18.818 -7.539 19.661 1.00 1.16 H new ATOM 677 N ASN A 46 21.206 -13.221 15.876 1.00 0.33 N ATOM 678 CA ASN A 46 20.574 -14.571 15.828 1.00 0.31 C ATOM 679 C ASN A 46 19.731 -14.778 17.085 1.00 0.37 C ATOM 680 O ASN A 46 20.224 -14.698 18.193 1.00 0.45 O ATOM 681 CB ASN A 46 21.665 -15.643 15.762 1.00 0.35 C ATOM 682 CG ASN A 46 22.661 -15.433 16.906 1.00 0.40 C ATOM 683 OD1 ASN A 46 23.702 -14.835 16.717 1.00 2.34 O ATOM 684 ND2 ASN A 46 22.384 -15.902 18.092 1.00 2.04 N ATOM 0 H ASN A 46 22.156 -13.201 16.247 1.00 0.33 H new ATOM 0 HA ASN A 46 19.939 -14.647 14.946 1.00 0.31 H new ATOM 0 HB2 ASN A 46 21.219 -16.635 15.832 1.00 0.35 H new ATOM 0 HB3 ASN A 46 22.181 -15.593 14.803 1.00 0.35 H new ATOM 0 HD21 ASN A 46 23.041 -15.767 18.860 1.00 2.04 H new ATOM 0 HD22 ASN A 46 21.510 -16.404 18.251 1.00 2.04 H new ATOM 691 N THR A 47 18.458 -15.032 16.930 1.00 0.35 N ATOM 692 CA THR A 47 17.596 -15.230 18.129 1.00 0.43 C ATOM 693 C THR A 47 16.576 -16.345 17.872 1.00 0.41 C ATOM 694 O THR A 47 16.001 -16.444 16.806 1.00 0.63 O ATOM 695 CB THR A 47 16.867 -13.921 18.433 1.00 0.46 C ATOM 696 OG1 THR A 47 15.711 -14.195 19.205 1.00 0.79 O ATOM 697 CG2 THR A 47 16.459 -13.245 17.123 1.00 0.35 C ATOM 0 H THR A 47 17.982 -15.110 16.031 1.00 0.35 H new ATOM 0 HA THR A 47 18.215 -15.517 18.979 1.00 0.43 H new ATOM 0 HB THR A 47 17.528 -13.258 18.990 1.00 0.46 H new ATOM 0 HG1 THR A 47 14.946 -13.707 18.834 1.00 0.79 H new ATOM 0 HG21 THR A 47 15.939 -12.312 17.341 1.00 0.35 H new ATOM 0 HG22 THR A 47 17.349 -13.035 16.530 1.00 0.35 H new ATOM 0 HG23 THR A 47 15.798 -13.906 16.563 1.00 0.35 H new ATOM 705 N LYS A 48 16.343 -17.180 18.852 1.00 0.25 N ATOM 706 CA LYS A 48 15.358 -18.289 18.687 1.00 0.25 C ATOM 707 C LYS A 48 13.953 -17.753 18.894 1.00 0.29 C ATOM 708 O LYS A 48 12.974 -18.417 18.619 1.00 0.29 O ATOM 709 CB LYS A 48 15.643 -19.373 19.722 1.00 0.25 C ATOM 710 CG LYS A 48 16.766 -20.263 19.208 1.00 0.29 C ATOM 711 CD LYS A 48 16.185 -21.352 18.303 1.00 0.31 C ATOM 712 CE LYS A 48 15.348 -22.329 19.137 1.00 0.34 C ATOM 713 NZ LYS A 48 16.224 -23.022 20.123 1.00 1.34 N ATOM 0 H LYS A 48 16.796 -17.140 19.765 1.00 0.25 H new ATOM 0 HA LYS A 48 15.443 -18.707 17.684 1.00 0.25 H new ATOM 0 HB2 LYS A 48 15.925 -18.921 20.673 1.00 0.25 H new ATOM 0 HB3 LYS A 48 14.746 -19.965 19.904 1.00 0.25 H new ATOM 0 HG2 LYS A 48 17.492 -19.667 18.656 1.00 0.29 H new ATOM 0 HG3 LYS A 48 17.296 -20.717 20.045 1.00 0.29 H new ATOM 0 HD2 LYS A 48 15.567 -20.901 17.526 1.00 0.31 H new ATOM 0 HD3 LYS A 48 16.990 -21.887 17.799 1.00 0.31 H new ATOM 0 HE2 LYS A 48 14.553 -21.792 19.655 1.00 0.34 H new ATOM 0 HE3 LYS A 48 14.867 -23.059 18.486 1.00 0.34 H new ATOM 0 HZ1 LYS A 48 15.785 -23.921 20.406 1.00 1.34 H new ATOM 0 HZ2 LYS A 48 17.151 -23.210 19.692 1.00 1.34 H new ATOM 0 HZ3 LYS A 48 16.348 -22.419 20.961 1.00 1.34 H new ATOM 727 N THR A 49 13.847 -16.556 19.374 1.00 0.35 N ATOM 728 CA THR A 49 12.505 -15.974 19.594 1.00 0.39 C ATOM 729 C THR A 49 12.552 -14.477 19.359 1.00 0.35 C ATOM 730 O THR A 49 13.468 -13.790 19.766 1.00 0.33 O ATOM 731 CB THR A 49 12.042 -16.261 21.015 1.00 0.47 C ATOM 732 OG1 THR A 49 13.100 -15.997 21.928 1.00 0.45 O ATOM 733 CG2 THR A 49 11.635 -17.726 21.099 1.00 0.49 C ATOM 0 H THR A 49 14.631 -15.954 19.624 1.00 0.35 H new ATOM 0 HA THR A 49 11.801 -16.424 18.894 1.00 0.39 H new ATOM 0 HB THR A 49 11.196 -15.624 21.271 1.00 0.47 H new ATOM 0 HG1 THR A 49 13.699 -15.321 21.548 1.00 0.45 H new ATOM 0 HG21 THR A 49 11.299 -17.953 22.111 1.00 0.49 H new ATOM 0 HG22 THR A 49 10.825 -17.919 20.396 1.00 0.49 H new ATOM 0 HG23 THR A 49 12.489 -18.356 20.850 1.00 0.49 H new ATOM 741 N ALA A 50 11.562 -13.971 18.705 1.00 0.35 N ATOM 742 CA ALA A 50 11.518 -12.522 18.426 1.00 0.31 C ATOM 743 C ALA A 50 10.195 -11.968 18.922 1.00 0.28 C ATOM 744 O ALA A 50 9.198 -12.657 18.950 1.00 0.32 O ATOM 745 CB ALA A 50 11.641 -12.290 16.925 1.00 0.32 C ATOM 0 H ALA A 50 10.770 -14.505 18.346 1.00 0.35 H new ATOM 0 HA ALA A 50 12.342 -12.020 18.934 1.00 0.31 H new ATOM 0 HB1 ALA A 50 11.609 -11.220 16.718 1.00 0.32 H new ATOM 0 HB2 ALA A 50 12.587 -12.700 16.570 1.00 0.32 H new ATOM 0 HB3 ALA A 50 10.816 -12.784 16.412 1.00 0.32 H new ATOM 751 N LYS A 51 10.172 -10.734 19.326 1.00 0.21 N ATOM 752 CA LYS A 51 8.901 -10.165 19.834 1.00 0.16 C ATOM 753 C LYS A 51 8.598 -8.841 19.143 1.00 0.16 C ATOM 754 O LYS A 51 9.451 -7.990 19.008 1.00 0.14 O ATOM 755 CB LYS A 51 9.033 -9.904 21.333 1.00 0.13 C ATOM 756 CG LYS A 51 8.599 -11.140 22.116 1.00 0.14 C ATOM 757 CD LYS A 51 7.795 -10.709 23.344 1.00 0.17 C ATOM 758 CE LYS A 51 8.339 -9.383 23.888 1.00 0.14 C ATOM 759 NZ LYS A 51 8.015 -9.275 25.338 1.00 0.15 N ATOM 0 H LYS A 51 10.971 -10.100 19.327 1.00 0.21 H new ATOM 0 HA LYS A 51 8.097 -10.873 19.634 1.00 0.16 H new ATOM 0 HB2 LYS A 51 10.065 -9.652 21.577 1.00 0.13 H new ATOM 0 HB3 LYS A 51 8.420 -9.049 21.617 1.00 0.13 H new ATOM 0 HG2 LYS A 51 7.996 -11.791 21.483 1.00 0.14 H new ATOM 0 HG3 LYS A 51 9.473 -11.714 22.423 1.00 0.14 H new ATOM 0 HD2 LYS A 51 6.743 -10.599 23.080 1.00 0.17 H new ATOM 0 HD3 LYS A 51 7.852 -11.478 24.114 1.00 0.17 H new ATOM 0 HE2 LYS A 51 9.418 -9.331 23.740 1.00 0.14 H new ATOM 0 HE3 LYS A 51 7.902 -8.546 23.343 1.00 0.14 H new ATOM 0 HZ1 LYS A 51 8.383 -8.376 25.710 1.00 0.15 H new ATOM 0 HZ2 LYS A 51 6.983 -9.307 25.467 1.00 0.15 H new ATOM 0 HZ3 LYS A 51 8.452 -10.067 25.851 1.00 0.15 H new ATOM 773 N ILE A 52 7.379 -8.633 18.745 1.00 0.19 N ATOM 774 CA ILE A 52 7.048 -7.335 18.115 1.00 0.17 C ATOM 775 C ILE A 52 6.563 -6.410 19.224 1.00 0.18 C ATOM 776 O ILE A 52 6.039 -6.854 20.226 1.00 0.18 O ATOM 777 CB ILE A 52 5.952 -7.502 17.061 1.00 0.16 C ATOM 778 CG1 ILE A 52 5.588 -6.122 16.506 1.00 0.20 C ATOM 779 CG2 ILE A 52 4.717 -8.143 17.695 1.00 0.20 C ATOM 780 CD1 ILE A 52 4.623 -6.280 15.333 1.00 0.41 C ATOM 0 H ILE A 52 6.608 -9.296 18.827 1.00 0.19 H new ATOM 0 HA ILE A 52 7.925 -6.926 17.613 1.00 0.17 H new ATOM 0 HB ILE A 52 6.309 -8.144 16.256 1.00 0.16 H new ATOM 0 HG12 ILE A 52 5.131 -5.514 17.287 1.00 0.20 H new ATOM 0 HG13 ILE A 52 6.488 -5.600 16.182 1.00 0.20 H new ATOM 0 HG21 ILE A 52 3.939 -8.260 16.940 1.00 0.20 H new ATOM 0 HG22 ILE A 52 4.981 -9.121 18.098 1.00 0.20 H new ATOM 0 HG23 ILE A 52 4.349 -7.506 18.499 1.00 0.20 H new ATOM 0 HD11 ILE A 52 4.365 -5.297 14.939 1.00 0.41 H new ATOM 0 HD12 ILE A 52 5.096 -6.872 14.550 1.00 0.41 H new ATOM 0 HD13 ILE A 52 3.718 -6.784 15.672 1.00 0.41 H new ATOM 792 N GLU A 53 6.750 -5.137 19.075 1.00 0.19 N ATOM 793 CA GLU A 53 6.314 -4.207 20.148 1.00 0.20 C ATOM 794 C GLU A 53 5.750 -2.941 19.523 1.00 0.13 C ATOM 795 O GLU A 53 6.450 -2.186 18.881 1.00 0.13 O ATOM 796 CB GLU A 53 7.521 -3.845 21.018 1.00 0.26 C ATOM 797 CG GLU A 53 7.253 -4.245 22.468 1.00 0.30 C ATOM 798 CD GLU A 53 8.407 -3.765 23.350 1.00 0.35 C ATOM 799 OE1 GLU A 53 8.339 -2.639 23.818 1.00 0.56 O ATOM 800 OE2 GLU A 53 9.337 -4.529 23.544 1.00 0.32 O ATOM 0 H GLU A 53 7.183 -4.698 18.262 1.00 0.19 H new ATOM 0 HA GLU A 53 5.547 -4.685 20.758 1.00 0.20 H new ATOM 0 HB2 GLU A 53 8.412 -4.354 20.650 1.00 0.26 H new ATOM 0 HB3 GLU A 53 7.717 -2.774 20.957 1.00 0.26 H new ATOM 0 HG2 GLU A 53 6.314 -3.809 22.809 1.00 0.30 H new ATOM 0 HG3 GLU A 53 7.148 -5.327 22.545 1.00 0.30 H new ATOM 807 N ILE A 54 4.491 -2.688 19.713 1.00 0.11 N ATOM 808 CA ILE A 54 3.907 -1.460 19.129 1.00 0.07 C ATOM 809 C ILE A 54 3.518 -0.507 20.255 1.00 0.08 C ATOM 810 O ILE A 54 2.595 -0.755 21.005 1.00 0.14 O ATOM 811 CB ILE A 54 2.663 -1.811 18.317 1.00 0.07 C ATOM 812 CG1 ILE A 54 2.957 -3.013 17.414 1.00 0.14 C ATOM 813 CG2 ILE A 54 2.282 -0.602 17.470 1.00 0.12 C ATOM 814 CD1 ILE A 54 2.947 -4.288 18.255 1.00 0.18 C ATOM 0 H ILE A 54 3.846 -3.274 20.243 1.00 0.11 H new ATOM 0 HA ILE A 54 4.641 -0.987 18.476 1.00 0.07 H new ATOM 0 HB ILE A 54 1.840 -2.070 18.983 1.00 0.07 H new ATOM 0 HG12 ILE A 54 2.211 -3.079 16.622 1.00 0.14 H new ATOM 0 HG13 ILE A 54 3.926 -2.890 16.929 1.00 0.14 H new ATOM 0 HG21 ILE A 54 1.394 -0.835 16.882 1.00 0.12 H new ATOM 0 HG22 ILE A 54 2.074 0.247 18.121 1.00 0.12 H new ATOM 0 HG23 ILE A 54 3.105 -0.353 16.800 1.00 0.12 H new ATOM 0 HD11 ILE A 54 3.156 -5.147 17.617 1.00 0.18 H new ATOM 0 HD12 ILE A 54 3.710 -4.218 19.030 1.00 0.18 H new ATOM 0 HD13 ILE A 54 1.968 -4.410 18.719 1.00 0.18 H new ATOM 826 N LYS A 55 4.206 0.589 20.369 1.00 0.26 N ATOM 827 CA LYS A 55 3.874 1.569 21.435 1.00 0.28 C ATOM 828 C LYS A 55 3.196 2.769 20.786 1.00 0.25 C ATOM 829 O LYS A 55 3.296 2.976 19.598 1.00 0.62 O ATOM 830 CB LYS A 55 5.156 2.013 22.139 1.00 0.29 C ATOM 831 CG LYS A 55 5.718 0.843 22.948 1.00 0.49 C ATOM 832 CD LYS A 55 6.931 1.311 23.756 1.00 0.73 C ATOM 833 CE LYS A 55 7.825 0.111 24.080 1.00 0.45 C ATOM 834 NZ LYS A 55 8.755 0.468 25.190 1.00 0.46 N ATOM 0 H LYS A 55 4.987 0.850 19.768 1.00 0.26 H new ATOM 0 HA LYS A 55 3.209 1.118 22.171 1.00 0.28 H new ATOM 0 HB2 LYS A 55 5.889 2.349 21.406 1.00 0.29 H new ATOM 0 HB3 LYS A 55 4.950 2.859 22.795 1.00 0.29 H new ATOM 0 HG2 LYS A 55 4.953 0.450 23.617 1.00 0.49 H new ATOM 0 HG3 LYS A 55 6.005 0.031 22.280 1.00 0.49 H new ATOM 0 HD2 LYS A 55 7.493 2.054 23.190 1.00 0.73 H new ATOM 0 HD3 LYS A 55 6.603 1.793 24.677 1.00 0.73 H new ATOM 0 HE2 LYS A 55 7.213 -0.745 24.365 1.00 0.45 H new ATOM 0 HE3 LYS A 55 8.392 -0.182 23.197 1.00 0.45 H new ATOM 0 HZ1 LYS A 55 9.362 -0.347 25.410 1.00 0.46 H new ATOM 0 HZ2 LYS A 55 9.347 1.273 24.902 1.00 0.46 H new ATOM 0 HZ3 LYS A 55 8.205 0.728 26.034 1.00 0.46 H new ATOM 848 N ALA A 56 2.490 3.555 21.532 1.00 0.69 N ATOM 849 CA ALA A 56 1.811 4.717 20.900 1.00 0.64 C ATOM 850 C ALA A 56 2.009 5.980 21.733 1.00 0.69 C ATOM 851 O ALA A 56 2.134 5.935 22.939 1.00 1.06 O ATOM 852 CB ALA A 56 0.316 4.426 20.771 1.00 0.68 C ATOM 0 H ALA A 56 2.351 3.451 22.537 1.00 0.69 H new ATOM 0 HA ALA A 56 2.247 4.877 19.914 1.00 0.64 H new ATOM 0 HB1 ALA A 56 -0.182 5.278 20.308 1.00 0.68 H new ATOM 0 HB2 ALA A 56 0.170 3.540 20.153 1.00 0.68 H new ATOM 0 HB3 ALA A 56 -0.108 4.252 21.760 1.00 0.68 H new ATOM 858 N SER A 57 2.014 7.109 21.084 1.00 0.34 N ATOM 859 CA SER A 57 2.171 8.399 21.812 1.00 0.41 C ATOM 860 C SER A 57 0.888 9.207 21.617 1.00 0.38 C ATOM 861 O SER A 57 0.200 9.049 20.632 1.00 0.28 O ATOM 862 CB SER A 57 3.365 9.173 21.250 1.00 0.42 C ATOM 863 OG SER A 57 4.462 8.284 21.080 1.00 2.61 O ATOM 0 H SER A 57 1.915 7.195 20.072 1.00 0.34 H new ATOM 0 HA SER A 57 2.348 8.217 22.872 1.00 0.41 H new ATOM 0 HB2 SER A 57 3.101 9.630 20.296 1.00 0.42 H new ATOM 0 HB3 SER A 57 3.639 9.983 21.926 1.00 0.42 H new ATOM 0 HG SER A 57 5.229 8.776 20.718 1.00 2.61 H new ATOM 869 N LEU A 58 0.537 10.054 22.544 1.00 0.48 N ATOM 870 CA LEU A 58 -0.723 10.832 22.379 1.00 0.47 C ATOM 871 C LEU A 58 -0.435 12.332 22.458 1.00 0.34 C ATOM 872 O LEU A 58 -0.957 13.032 23.301 1.00 0.17 O ATOM 873 CB LEU A 58 -1.701 10.443 23.479 1.00 0.49 C ATOM 874 CG LEU A 58 -1.763 8.917 23.586 1.00 0.64 C ATOM 875 CD1 LEU A 58 -2.333 8.520 24.949 1.00 0.81 C ATOM 876 CD2 LEU A 58 -2.662 8.364 22.478 1.00 0.39 C ATOM 0 H LEU A 58 1.061 10.240 23.399 1.00 0.48 H new ATOM 0 HA LEU A 58 -1.155 10.608 21.403 1.00 0.47 H new ATOM 0 HB2 LEU A 58 -1.386 10.873 24.430 1.00 0.49 H new ATOM 0 HB3 LEU A 58 -2.691 10.844 23.260 1.00 0.49 H new ATOM 0 HG LEU A 58 -0.759 8.507 23.480 1.00 0.64 H new ATOM 0 HD11 LEU A 58 -2.376 7.433 25.023 1.00 0.81 H new ATOM 0 HD12 LEU A 58 -1.693 8.912 25.739 1.00 0.81 H new ATOM 0 HD13 LEU A 58 -3.337 8.931 25.057 1.00 0.81 H new ATOM 0 HD21 LEU A 58 -2.706 7.278 22.554 1.00 0.39 H new ATOM 0 HD22 LEU A 58 -3.665 8.776 22.584 1.00 0.39 H new ATOM 0 HD23 LEU A 58 -2.255 8.644 21.506 1.00 0.39 H new ATOM 888 N ASP A 59 0.382 12.825 21.575 1.00 0.49 N ATOM 889 CA ASP A 59 0.703 14.281 21.579 1.00 0.51 C ATOM 890 C ASP A 59 0.962 14.757 23.013 1.00 0.37 C ATOM 891 O ASP A 59 0.805 15.920 23.325 1.00 0.38 O ATOM 892 CB ASP A 59 -0.474 15.062 20.989 1.00 0.54 C ATOM 893 CG ASP A 59 0.016 15.924 19.825 1.00 0.52 C ATOM 894 OD1 ASP A 59 1.151 16.370 19.879 1.00 0.73 O ATOM 895 OD2 ASP A 59 -0.751 16.123 18.897 1.00 0.83 O ATOM 0 H ASP A 59 0.845 12.282 20.846 1.00 0.49 H new ATOM 0 HA ASP A 59 1.597 14.452 20.979 1.00 0.51 H new ATOM 0 HB2 ASP A 59 -1.245 14.373 20.645 1.00 0.54 H new ATOM 0 HB3 ASP A 59 -0.927 15.691 21.755 1.00 0.54 H new ATOM 900 N GLY A 60 1.359 13.874 23.889 1.00 0.31 N ATOM 901 CA GLY A 60 1.624 14.293 25.294 1.00 0.22 C ATOM 902 C GLY A 60 1.655 13.067 26.209 1.00 0.19 C ATOM 903 O GLY A 60 2.545 12.907 27.020 1.00 0.18 O ATOM 0 H GLY A 60 1.511 12.885 23.693 1.00 0.31 H new ATOM 0 HA2 GLY A 60 2.575 14.823 25.351 1.00 0.22 H new ATOM 0 HA3 GLY A 60 0.852 14.986 25.627 1.00 0.22 H new ATOM 907 N LEU A 61 0.690 12.198 26.087 1.00 0.30 N ATOM 908 CA LEU A 61 0.662 10.988 26.950 1.00 0.37 C ATOM 909 C LEU A 61 1.020 9.762 26.104 1.00 0.42 C ATOM 910 O LEU A 61 0.328 9.425 25.164 1.00 0.54 O ATOM 911 CB LEU A 61 -0.744 10.825 27.532 1.00 0.49 C ATOM 912 CG LEU A 61 -0.959 9.379 27.972 1.00 0.40 C ATOM 913 CD1 LEU A 61 -0.003 9.047 29.118 1.00 0.64 C ATOM 914 CD2 LEU A 61 -2.404 9.204 28.445 1.00 0.63 C ATOM 0 H LEU A 61 -0.082 12.276 25.424 1.00 0.30 H new ATOM 0 HA LEU A 61 1.381 11.088 27.763 1.00 0.37 H new ATOM 0 HB2 LEU A 61 -0.876 11.496 28.381 1.00 0.49 H new ATOM 0 HB3 LEU A 61 -1.490 11.103 26.787 1.00 0.49 H new ATOM 0 HG LEU A 61 -0.765 8.709 27.134 1.00 0.40 H new ATOM 0 HD11 LEU A 61 -0.156 8.015 29.432 1.00 0.64 H new ATOM 0 HD12 LEU A 61 1.026 9.175 28.782 1.00 0.64 H new ATOM 0 HD13 LEU A 61 -0.196 9.714 29.958 1.00 0.64 H new ATOM 0 HD21 LEU A 61 -2.561 8.172 28.760 1.00 0.63 H new ATOM 0 HD22 LEU A 61 -2.596 9.873 29.284 1.00 0.63 H new ATOM 0 HD23 LEU A 61 -3.086 9.442 27.628 1.00 0.63 H new ATOM 926 N GLU A 62 2.098 9.097 26.421 1.00 0.40 N ATOM 927 CA GLU A 62 2.490 7.902 25.621 1.00 0.46 C ATOM 928 C GLU A 62 2.082 6.625 26.357 1.00 0.23 C ATOM 929 O GLU A 62 2.389 6.436 27.517 1.00 0.27 O ATOM 930 CB GLU A 62 4.002 7.904 25.405 1.00 0.68 C ATOM 931 CG GLU A 62 4.366 8.967 24.367 1.00 2.75 C ATOM 932 CD GLU A 62 5.580 9.759 24.852 1.00 3.47 C ATOM 933 OE1 GLU A 62 5.538 10.245 25.971 1.00 3.91 O ATOM 934 OE2 GLU A 62 6.530 9.870 24.096 1.00 3.75 O ATOM 0 H GLU A 62 2.721 9.328 27.195 1.00 0.40 H new ATOM 0 HA GLU A 62 1.984 7.937 24.656 1.00 0.46 H new ATOM 0 HB2 GLU A 62 4.514 8.108 26.345 1.00 0.68 H new ATOM 0 HB3 GLU A 62 4.333 6.922 25.068 1.00 0.68 H new ATOM 0 HG2 GLU A 62 4.585 8.495 23.409 1.00 2.75 H new ATOM 0 HG3 GLU A 62 3.522 9.637 24.206 1.00 2.75 H new ATOM 941 N ILE A 63 1.385 5.750 25.685 1.00 0.30 N ATOM 942 CA ILE A 63 0.949 4.485 26.332 1.00 0.14 C ATOM 943 C ILE A 63 1.581 3.292 25.625 1.00 0.11 C ATOM 944 O ILE A 63 2.283 3.415 24.640 1.00 0.11 O ATOM 945 CB ILE A 63 -0.580 4.397 26.254 1.00 0.39 C ATOM 946 CG1 ILE A 63 -1.165 4.497 27.659 1.00 1.28 C ATOM 947 CG2 ILE A 63 -1.059 3.101 25.588 1.00 0.48 C ATOM 948 CD1 ILE A 63 -2.536 5.167 27.586 1.00 1.29 C ATOM 0 H ILE A 63 1.099 5.859 24.712 1.00 0.30 H new ATOM 0 HA ILE A 63 1.266 4.473 27.375 1.00 0.14 H new ATOM 0 HB ILE A 63 -0.926 5.226 25.636 1.00 0.39 H new ATOM 0 HG12 ILE A 63 -1.255 3.504 28.100 1.00 1.28 H new ATOM 0 HG13 ILE A 63 -0.500 5.072 28.303 1.00 1.28 H new ATOM 0 HG21 ILE A 63 -2.149 3.089 25.558 1.00 0.48 H new ATOM 0 HG22 ILE A 63 -0.667 3.048 24.572 1.00 0.48 H new ATOM 0 HG23 ILE A 63 -0.702 2.245 26.160 1.00 0.48 H new ATOM 0 HD11 ILE A 63 -2.959 5.241 28.588 1.00 1.29 H new ATOM 0 HD12 ILE A 63 -2.431 6.166 27.162 1.00 1.29 H new ATOM 0 HD13 ILE A 63 -3.198 4.573 26.956 1.00 1.29 H new ATOM 960 N ASP A 64 1.301 2.143 26.130 1.00 0.10 N ATOM 961 CA ASP A 64 1.825 0.880 25.530 1.00 0.10 C ATOM 962 C ASP A 64 0.648 0.136 24.908 1.00 0.06 C ATOM 963 O ASP A 64 -0.454 0.171 25.418 1.00 0.04 O ATOM 964 CB ASP A 64 2.470 0.018 26.618 1.00 0.14 C ATOM 965 CG ASP A 64 3.677 -0.721 26.037 1.00 1.90 C ATOM 966 OD1 ASP A 64 3.487 -1.805 25.510 1.00 3.72 O ATOM 967 OD2 ASP A 64 4.771 -0.190 26.130 1.00 1.94 O ATOM 0 H ASP A 64 0.717 2.009 26.955 1.00 0.10 H new ATOM 0 HA ASP A 64 2.578 1.100 24.773 1.00 0.10 H new ATOM 0 HB2 ASP A 64 2.782 0.643 27.455 1.00 0.14 H new ATOM 0 HB3 ASP A 64 1.745 -0.697 27.007 1.00 0.14 H new ATOM 972 N VAL A 65 0.850 -0.504 23.795 1.00 0.11 N ATOM 973 CA VAL A 65 -0.288 -1.202 23.143 1.00 0.12 C ATOM 974 C VAL A 65 -0.126 -2.729 23.210 1.00 0.12 C ATOM 975 O VAL A 65 0.634 -3.310 22.460 1.00 0.11 O ATOM 976 CB VAL A 65 -0.334 -0.765 21.692 1.00 0.16 C ATOM 977 CG1 VAL A 65 -1.710 -1.070 21.098 1.00 0.16 C ATOM 978 CG2 VAL A 65 -0.059 0.741 21.615 1.00 0.26 C ATOM 0 H VAL A 65 1.745 -0.575 23.311 1.00 0.11 H new ATOM 0 HA VAL A 65 -1.210 -0.944 23.663 1.00 0.12 H new ATOM 0 HB VAL A 65 0.422 -1.307 21.124 1.00 0.16 H new ATOM 0 HG11 VAL A 65 -1.735 -0.753 20.055 1.00 0.16 H new ATOM 0 HG12 VAL A 65 -1.902 -2.141 21.156 1.00 0.16 H new ATOM 0 HG13 VAL A 65 -2.475 -0.533 21.659 1.00 0.16 H new ATOM 0 HG21 VAL A 65 -0.090 1.064 20.574 1.00 0.26 H new ATOM 0 HG22 VAL A 65 -0.817 1.279 22.185 1.00 0.26 H new ATOM 0 HG23 VAL A 65 0.926 0.953 22.031 1.00 0.26 H new ATOM 988 N PRO A 66 -0.883 -3.328 24.091 1.00 0.12 N ATOM 989 CA PRO A 66 -0.903 -4.789 24.284 1.00 0.16 C ATOM 990 C PRO A 66 -1.811 -5.436 23.230 1.00 0.18 C ATOM 991 O PRO A 66 -2.030 -4.888 22.169 1.00 0.20 O ATOM 992 CB PRO A 66 -1.495 -4.951 25.691 1.00 0.19 C ATOM 993 CG PRO A 66 -2.293 -3.658 25.979 1.00 0.16 C ATOM 994 CD PRO A 66 -1.779 -2.592 24.993 1.00 0.13 C ATOM 0 HA PRO A 66 0.075 -5.260 24.184 1.00 0.16 H new ATOM 0 HB2 PRO A 66 -2.142 -5.827 25.742 1.00 0.19 H new ATOM 0 HB3 PRO A 66 -0.707 -5.094 26.430 1.00 0.19 H new ATOM 0 HG2 PRO A 66 -3.362 -3.825 25.846 1.00 0.16 H new ATOM 0 HG3 PRO A 66 -2.147 -3.334 27.010 1.00 0.16 H new ATOM 0 HD2 PRO A 66 -2.600 -2.128 24.446 1.00 0.13 H new ATOM 0 HD3 PRO A 66 -1.251 -1.793 25.512 1.00 0.13 H new ATOM 1002 N GLY A 67 -2.350 -6.591 23.513 1.00 0.24 N ATOM 1003 CA GLY A 67 -3.249 -7.251 22.526 1.00 0.32 C ATOM 1004 C GLY A 67 -2.496 -7.486 21.216 1.00 0.32 C ATOM 1005 O GLY A 67 -3.080 -7.512 20.151 1.00 0.54 O ATOM 0 H GLY A 67 -2.207 -7.104 24.383 1.00 0.24 H new ATOM 0 HA2 GLY A 67 -3.608 -8.200 22.925 1.00 0.32 H new ATOM 0 HA3 GLY A 67 -4.126 -6.629 22.346 1.00 0.32 H new ATOM 1009 N ILE A 68 -1.206 -7.669 21.283 1.00 0.29 N ATOM 1010 CA ILE A 68 -0.424 -7.913 20.038 1.00 0.28 C ATOM 1011 C ILE A 68 0.273 -9.270 20.140 1.00 0.26 C ATOM 1012 O ILE A 68 -0.083 -10.107 20.945 1.00 0.34 O ATOM 1013 CB ILE A 68 0.637 -6.829 19.863 1.00 0.28 C ATOM 1014 CG1 ILE A 68 1.652 -6.957 20.999 1.00 0.33 C ATOM 1015 CG2 ILE A 68 -0.019 -5.446 19.892 1.00 0.23 C ATOM 1016 CD1 ILE A 68 2.592 -5.752 21.005 1.00 0.23 C ATOM 0 H ILE A 68 -0.660 -7.660 22.145 1.00 0.29 H new ATOM 0 HA ILE A 68 -1.102 -7.898 19.185 1.00 0.28 H new ATOM 0 HB ILE A 68 1.140 -6.949 18.903 1.00 0.28 H new ATOM 0 HG12 ILE A 68 1.132 -7.027 21.955 1.00 0.33 H new ATOM 0 HG13 ILE A 68 2.227 -7.875 20.881 1.00 0.33 H new ATOM 0 HG21 ILE A 68 0.745 -4.678 19.767 1.00 0.23 H new ATOM 0 HG22 ILE A 68 -0.745 -5.371 19.083 1.00 0.23 H new ATOM 0 HG23 ILE A 68 -0.524 -5.303 20.847 1.00 0.23 H new ATOM 0 HD11 ILE A 68 3.310 -5.855 21.818 1.00 0.23 H new ATOM 0 HD12 ILE A 68 3.124 -5.701 20.055 1.00 0.23 H new ATOM 0 HD13 ILE A 68 2.013 -4.839 21.146 1.00 0.23 H new ATOM 1028 N ASP A 69 1.266 -9.490 19.324 1.00 0.18 N ATOM 1029 CA ASP A 69 1.988 -10.788 19.364 1.00 0.17 C ATOM 1030 C ASP A 69 3.324 -10.593 20.072 1.00 0.14 C ATOM 1031 O ASP A 69 4.243 -10.009 19.529 1.00 0.17 O ATOM 1032 CB ASP A 69 2.237 -11.288 17.937 1.00 0.19 C ATOM 1033 CG ASP A 69 3.180 -12.493 17.976 1.00 0.32 C ATOM 1034 OD1 ASP A 69 2.784 -13.513 18.515 1.00 0.60 O ATOM 1035 OD2 ASP A 69 4.283 -12.374 17.467 1.00 0.84 O ATOM 0 H ASP A 69 1.608 -8.824 18.631 1.00 0.18 H new ATOM 0 HA ASP A 69 1.387 -11.522 19.901 1.00 0.17 H new ATOM 0 HB2 ASP A 69 1.293 -11.566 17.468 1.00 0.19 H new ATOM 0 HB3 ASP A 69 2.671 -10.492 17.332 1.00 0.19 H new ATOM 1040 N THR A 70 3.448 -11.079 21.274 1.00 0.09 N ATOM 1041 CA THR A 70 4.735 -10.927 22.003 1.00 0.07 C ATOM 1042 C THR A 70 5.663 -12.078 21.605 1.00 0.03 C ATOM 1043 O THR A 70 6.306 -12.694 22.430 1.00 0.08 O ATOM 1044 CB THR A 70 4.475 -10.952 23.512 1.00 0.09 C ATOM 1045 OG1 THR A 70 3.389 -11.825 23.788 1.00 0.11 O ATOM 1046 CG2 THR A 70 4.134 -9.538 23.993 1.00 0.15 C ATOM 0 H THR A 70 2.715 -11.574 21.782 1.00 0.09 H new ATOM 0 HA THR A 70 5.204 -9.977 21.746 1.00 0.07 H new ATOM 0 HB THR A 70 5.365 -11.306 24.032 1.00 0.09 H new ATOM 0 HG1 THR A 70 3.222 -11.844 24.753 1.00 0.11 H new ATOM 0 HG21 THR A 70 3.949 -9.554 25.067 1.00 0.15 H new ATOM 0 HG22 THR A 70 4.968 -8.870 23.779 1.00 0.15 H new ATOM 0 HG23 THR A 70 3.242 -9.183 23.476 1.00 0.15 H new ATOM 1054 N ASN A 71 5.724 -12.368 20.333 1.00 0.08 N ATOM 1055 CA ASN A 71 6.588 -13.468 19.833 1.00 0.11 C ATOM 1056 C ASN A 71 6.466 -13.493 18.307 1.00 0.12 C ATOM 1057 O ASN A 71 5.865 -14.378 17.731 1.00 0.33 O ATOM 1058 CB ASN A 71 6.115 -14.798 20.421 1.00 0.10 C ATOM 1059 CG ASN A 71 7.181 -15.865 20.180 1.00 0.39 C ATOM 1060 OD1 ASN A 71 8.304 -15.551 19.843 1.00 0.96 O ATOM 1061 ND2 ASN A 71 6.877 -17.123 20.345 1.00 0.13 N ATOM 0 H ASN A 71 5.200 -11.877 19.608 1.00 0.08 H new ATOM 0 HA ASN A 71 7.626 -13.312 20.128 1.00 0.11 H new ATOM 0 HB2 ASN A 71 5.927 -14.690 21.489 1.00 0.10 H new ATOM 0 HB3 ASN A 71 5.174 -15.098 19.961 1.00 0.10 H new ATOM 0 HD21 ASN A 71 7.583 -17.843 20.191 1.00 0.13 H new ATOM 0 HD22 ASN A 71 5.933 -17.387 20.628 1.00 0.13 H new ATOM 1068 N ALA A 72 7.001 -12.495 17.657 1.00 0.13 N ATOM 1069 CA ALA A 72 6.897 -12.402 16.171 1.00 0.11 C ATOM 1070 C ALA A 72 7.457 -13.651 15.480 1.00 0.08 C ATOM 1071 O ALA A 72 7.277 -13.826 14.298 1.00 0.11 O ATOM 1072 CB ALA A 72 7.665 -11.173 15.694 1.00 0.15 C ATOM 0 H ALA A 72 7.512 -11.730 18.098 1.00 0.13 H new ATOM 0 HA ALA A 72 5.842 -12.322 15.910 1.00 0.11 H new ATOM 0 HB1 ALA A 72 7.594 -11.098 14.609 1.00 0.15 H new ATOM 0 HB2 ALA A 72 7.239 -10.279 16.148 1.00 0.15 H new ATOM 0 HB3 ALA A 72 8.712 -11.263 15.984 1.00 0.15 H new ATOM 1078 N CYS A 73 8.136 -14.514 16.181 1.00 0.15 N ATOM 1079 CA CYS A 73 8.682 -15.734 15.515 1.00 0.20 C ATOM 1080 C CYS A 73 7.525 -16.566 14.950 1.00 0.21 C ATOM 1081 O CYS A 73 7.720 -17.443 14.132 1.00 0.26 O ATOM 1082 CB CYS A 73 9.478 -16.575 16.530 1.00 0.28 C ATOM 1083 SG CYS A 73 9.302 -18.339 16.143 1.00 0.31 S ATOM 0 H CYS A 73 8.337 -14.432 17.178 1.00 0.15 H new ATOM 0 HA CYS A 73 9.346 -15.435 14.704 1.00 0.20 H new ATOM 0 HB2 CYS A 73 10.530 -16.291 16.505 1.00 0.28 H new ATOM 0 HB3 CYS A 73 9.119 -16.378 17.540 1.00 0.28 H new ATOM 1088 N HIS A 74 6.320 -16.293 15.371 1.00 0.22 N ATOM 1089 CA HIS A 74 5.157 -17.076 14.851 1.00 0.30 C ATOM 1090 C HIS A 74 4.856 -16.666 13.408 1.00 0.29 C ATOM 1091 O HIS A 74 4.293 -17.420 12.641 1.00 0.36 O ATOM 1092 CB HIS A 74 3.927 -16.806 15.720 1.00 0.33 C ATOM 1093 CG HIS A 74 3.685 -17.984 16.625 1.00 0.42 C ATOM 1094 ND1 HIS A 74 2.516 -18.729 16.574 1.00 0.84 N ATOM 1095 CD2 HIS A 74 4.454 -18.560 17.606 1.00 0.66 C ATOM 1096 CE1 HIS A 74 2.617 -19.704 17.497 1.00 0.76 C ATOM 1097 NE2 HIS A 74 3.777 -19.645 18.155 1.00 0.58 N ATOM 0 H HIS A 74 6.089 -15.566 16.049 1.00 0.22 H new ATOM 0 HA HIS A 74 5.401 -18.138 14.881 1.00 0.30 H new ATOM 0 HB2 HIS A 74 4.078 -15.903 16.312 1.00 0.33 H new ATOM 0 HB3 HIS A 74 3.054 -16.632 15.090 1.00 0.33 H new ATOM 0 HD2 HIS A 74 5.435 -18.222 17.906 1.00 0.66 H new ATOM 0 HE1 HIS A 74 1.852 -20.444 17.682 1.00 0.76 H new ATOM 0 HE2 HIS A 74 4.098 -20.263 18.900 1.00 0.58 H new ATOM 1105 N PHE A 75 5.224 -15.474 13.034 1.00 0.21 N ATOM 1106 CA PHE A 75 4.957 -15.010 11.642 1.00 0.21 C ATOM 1107 C PHE A 75 6.248 -15.092 10.829 1.00 0.23 C ATOM 1108 O PHE A 75 6.243 -15.407 9.655 1.00 0.45 O ATOM 1109 CB PHE A 75 4.474 -13.562 11.676 1.00 0.21 C ATOM 1110 CG PHE A 75 3.258 -13.459 12.564 1.00 0.24 C ATOM 1111 CD1 PHE A 75 1.984 -13.712 12.041 1.00 0.24 C ATOM 1112 CD2 PHE A 75 3.405 -13.110 13.912 1.00 0.34 C ATOM 1113 CE1 PHE A 75 0.857 -13.618 12.866 1.00 0.31 C ATOM 1114 CE2 PHE A 75 2.277 -13.016 14.738 1.00 0.38 C ATOM 1115 CZ PHE A 75 1.004 -13.270 14.215 1.00 0.35 C ATOM 0 H PHE A 75 5.699 -14.798 13.632 1.00 0.21 H new ATOM 0 HA PHE A 75 4.194 -15.640 11.185 1.00 0.21 H new ATOM 0 HB2 PHE A 75 5.266 -12.912 12.048 1.00 0.21 H new ATOM 0 HB3 PHE A 75 4.232 -13.224 10.668 1.00 0.21 H new ATOM 0 HD1 PHE A 75 1.871 -13.980 11.001 1.00 0.24 H new ATOM 0 HD2 PHE A 75 4.387 -12.913 14.315 1.00 0.34 H new ATOM 0 HE1 PHE A 75 -0.126 -13.814 12.463 1.00 0.31 H new ATOM 0 HE2 PHE A 75 2.390 -12.748 15.778 1.00 0.38 H new ATOM 0 HZ PHE A 75 0.135 -13.198 14.852 1.00 0.35 H new ATOM 1125 N VAL A 76 7.355 -14.814 11.453 1.00 0.02 N ATOM 1126 CA VAL A 76 8.656 -14.871 10.740 1.00 0.09 C ATOM 1127 C VAL A 76 9.288 -16.242 11.009 1.00 0.12 C ATOM 1128 O VAL A 76 8.847 -16.972 11.873 1.00 0.14 O ATOM 1129 CB VAL A 76 9.555 -13.738 11.250 1.00 0.11 C ATOM 1130 CG1 VAL A 76 8.725 -12.474 11.453 1.00 0.17 C ATOM 1131 CG2 VAL A 76 10.194 -14.146 12.577 1.00 0.10 C ATOM 0 H VAL A 76 7.414 -14.547 12.436 1.00 0.02 H new ATOM 0 HA VAL A 76 8.523 -14.744 9.666 1.00 0.09 H new ATOM 0 HB VAL A 76 10.337 -13.543 10.516 1.00 0.11 H new ATOM 0 HG11 VAL A 76 9.367 -11.671 11.815 1.00 0.17 H new ATOM 0 HG12 VAL A 76 8.274 -12.178 10.505 1.00 0.17 H new ATOM 0 HG13 VAL A 76 7.939 -12.668 12.183 1.00 0.17 H new ATOM 0 HG21 VAL A 76 10.832 -13.339 12.937 1.00 0.10 H new ATOM 0 HG22 VAL A 76 9.413 -14.346 13.311 1.00 0.10 H new ATOM 0 HG23 VAL A 76 10.793 -15.045 12.431 1.00 0.10 H new ATOM 1141 N LYS A 77 10.294 -16.614 10.265 1.00 0.13 N ATOM 1142 CA LYS A 77 10.910 -17.957 10.482 1.00 0.15 C ATOM 1143 C LYS A 77 12.014 -17.881 11.538 1.00 0.15 C ATOM 1144 O LYS A 77 13.161 -17.627 11.231 1.00 0.15 O ATOM 1145 CB LYS A 77 11.506 -18.515 9.174 1.00 0.16 C ATOM 1146 CG LYS A 77 11.727 -17.405 8.143 1.00 0.16 C ATOM 1147 CD LYS A 77 10.400 -17.052 7.469 1.00 0.15 C ATOM 1148 CE LYS A 77 10.124 -18.044 6.337 1.00 0.68 C ATOM 1149 NZ LYS A 77 8.681 -17.987 5.964 1.00 0.33 N ATOM 0 H LYS A 77 10.714 -16.054 9.523 1.00 0.13 H new ATOM 0 HA LYS A 77 10.120 -18.624 10.826 1.00 0.15 H new ATOM 0 HB2 LYS A 77 12.453 -19.010 9.386 1.00 0.16 H new ATOM 0 HB3 LYS A 77 10.837 -19.270 8.761 1.00 0.16 H new ATOM 0 HG2 LYS A 77 12.145 -16.523 8.629 1.00 0.16 H new ATOM 0 HG3 LYS A 77 12.450 -17.730 7.395 1.00 0.16 H new ATOM 0 HD2 LYS A 77 9.590 -17.081 8.198 1.00 0.15 H new ATOM 0 HD3 LYS A 77 10.438 -16.036 7.076 1.00 0.15 H new ATOM 0 HE2 LYS A 77 10.743 -17.806 5.472 1.00 0.68 H new ATOM 0 HE3 LYS A 77 10.389 -19.053 6.651 1.00 0.68 H new ATOM 0 HZ1 LYS A 77 8.494 -18.661 5.195 1.00 0.33 H new ATOM 0 HZ2 LYS A 77 8.099 -18.234 6.790 1.00 0.33 H new ATOM 0 HZ3 LYS A 77 8.442 -17.026 5.647 1.00 0.33 H new ATOM 1163 N CYS A 78 11.683 -18.135 12.776 1.00 0.16 N ATOM 1164 CA CYS A 78 12.725 -18.114 13.840 1.00 0.16 C ATOM 1165 C CYS A 78 13.307 -19.531 13.951 1.00 0.15 C ATOM 1166 O CYS A 78 12.652 -20.483 13.573 1.00 0.16 O ATOM 1167 CB CYS A 78 12.103 -17.669 15.170 1.00 0.17 C ATOM 1168 SG CYS A 78 11.191 -19.036 15.926 1.00 0.10 S ATOM 0 H CYS A 78 10.739 -18.355 13.094 1.00 0.16 H new ATOM 0 HA CYS A 78 13.518 -17.408 13.594 1.00 0.16 H new ATOM 0 HB2 CYS A 78 12.885 -17.326 15.848 1.00 0.17 H new ATOM 0 HB3 CYS A 78 11.434 -16.825 15.002 1.00 0.17 H new ATOM 1173 N PRO A 79 14.532 -19.642 14.408 1.00 0.15 N ATOM 1174 CA PRO A 79 15.351 -18.505 14.873 1.00 0.15 C ATOM 1175 C PRO A 79 15.757 -17.578 13.739 1.00 0.14 C ATOM 1176 O PRO A 79 16.231 -18.004 12.704 1.00 0.13 O ATOM 1177 CB PRO A 79 16.589 -19.169 15.490 1.00 0.15 C ATOM 1178 CG PRO A 79 16.663 -20.588 14.900 1.00 0.16 C ATOM 1179 CD PRO A 79 15.234 -20.942 14.452 1.00 0.16 C ATOM 0 HA PRO A 79 14.800 -17.876 15.572 1.00 0.15 H new ATOM 0 HB2 PRO A 79 17.491 -18.603 15.255 1.00 0.15 H new ATOM 0 HB3 PRO A 79 16.509 -19.204 16.577 1.00 0.15 H new ATOM 0 HG2 PRO A 79 17.355 -20.624 14.059 1.00 0.16 H new ATOM 0 HG3 PRO A 79 17.026 -21.300 15.642 1.00 0.16 H new ATOM 0 HD2 PRO A 79 15.232 -21.428 13.476 1.00 0.16 H new ATOM 0 HD3 PRO A 79 14.757 -21.628 15.151 1.00 0.16 H new ATOM 1187 N LEU A 80 15.605 -16.303 13.948 1.00 0.15 N ATOM 1188 CA LEU A 80 16.018 -15.335 12.909 1.00 0.14 C ATOM 1189 C LEU A 80 17.529 -15.237 12.978 1.00 0.13 C ATOM 1190 O LEU A 80 18.092 -14.771 13.950 1.00 0.19 O ATOM 1191 CB LEU A 80 15.407 -13.966 13.171 1.00 0.17 C ATOM 1192 CG LEU A 80 13.949 -14.125 13.601 1.00 0.21 C ATOM 1193 CD1 LEU A 80 13.409 -12.774 14.063 1.00 0.34 C ATOM 1194 CD2 LEU A 80 13.124 -14.634 12.418 1.00 0.82 C ATOM 0 H LEU A 80 15.212 -15.893 14.795 1.00 0.15 H new ATOM 0 HA LEU A 80 15.681 -15.666 11.927 1.00 0.14 H new ATOM 0 HB2 LEU A 80 15.971 -13.448 13.947 1.00 0.17 H new ATOM 0 HB3 LEU A 80 15.466 -13.353 12.272 1.00 0.17 H new ATOM 0 HG LEU A 80 13.883 -14.840 14.421 1.00 0.21 H new ATOM 0 HD11 LEU A 80 12.369 -12.884 14.370 1.00 0.34 H new ATOM 0 HD12 LEU A 80 14.000 -12.414 14.905 1.00 0.34 H new ATOM 0 HD13 LEU A 80 13.471 -12.058 13.244 1.00 0.34 H new ATOM 0 HD21 LEU A 80 12.084 -14.748 12.722 1.00 0.82 H new ATOM 0 HD22 LEU A 80 13.186 -13.919 11.597 1.00 0.82 H new ATOM 0 HD23 LEU A 80 13.514 -15.598 12.090 1.00 0.82 H new ATOM 1206 N VAL A 81 18.189 -15.699 11.974 1.00 0.11 N ATOM 1207 CA VAL A 81 19.672 -15.670 11.993 1.00 0.11 C ATOM 1208 C VAL A 81 20.175 -14.281 11.607 1.00 0.20 C ATOM 1209 O VAL A 81 19.680 -13.656 10.691 1.00 0.23 O ATOM 1210 CB VAL A 81 20.210 -16.720 11.025 1.00 0.06 C ATOM 1211 CG1 VAL A 81 21.731 -16.598 10.938 1.00 0.10 C ATOM 1212 CG2 VAL A 81 19.838 -18.116 11.544 1.00 0.15 C ATOM 0 H VAL A 81 17.771 -16.099 11.134 1.00 0.11 H new ATOM 0 HA VAL A 81 20.027 -15.896 12.999 1.00 0.11 H new ATOM 0 HB VAL A 81 19.778 -16.567 10.036 1.00 0.06 H new ATOM 0 HG11 VAL A 81 22.117 -17.347 10.247 1.00 0.10 H new ATOM 0 HG12 VAL A 81 21.996 -15.603 10.580 1.00 0.10 H new ATOM 0 HG13 VAL A 81 22.166 -16.756 11.925 1.00 0.10 H new ATOM 0 HG21 VAL A 81 20.219 -18.873 10.858 1.00 0.15 H new ATOM 0 HG22 VAL A 81 20.277 -18.266 12.530 1.00 0.15 H new ATOM 0 HG23 VAL A 81 18.754 -18.202 11.613 1.00 0.15 H new ATOM 1222 N LYS A 82 21.155 -13.797 12.317 1.00 0.26 N ATOM 1223 CA LYS A 82 21.712 -12.458 12.036 1.00 0.37 C ATOM 1224 C LYS A 82 22.272 -12.407 10.625 1.00 0.39 C ATOM 1225 O LYS A 82 23.281 -13.011 10.317 1.00 0.50 O ATOM 1226 CB LYS A 82 22.820 -12.182 13.049 1.00 0.48 C ATOM 1227 CG LYS A 82 23.405 -10.809 12.779 1.00 0.45 C ATOM 1228 CD LYS A 82 24.485 -10.497 13.815 1.00 1.03 C ATOM 1229 CE LYS A 82 24.796 -9.000 13.787 1.00 2.77 C ATOM 1230 NZ LYS A 82 26.079 -8.777 13.063 1.00 3.13 N ATOM 0 H LYS A 82 21.598 -14.288 13.094 1.00 0.26 H new ATOM 0 HA LYS A 82 20.930 -11.703 12.118 1.00 0.37 H new ATOM 0 HB2 LYS A 82 22.423 -12.229 14.063 1.00 0.48 H new ATOM 0 HB3 LYS A 82 23.596 -12.943 12.975 1.00 0.48 H new ATOM 0 HG2 LYS A 82 23.829 -10.775 11.776 1.00 0.45 H new ATOM 0 HG3 LYS A 82 22.620 -10.054 12.819 1.00 0.45 H new ATOM 0 HD2 LYS A 82 24.147 -10.791 14.809 1.00 1.03 H new ATOM 0 HD3 LYS A 82 25.386 -11.071 13.601 1.00 1.03 H new ATOM 0 HE2 LYS A 82 23.988 -8.458 13.295 1.00 2.77 H new ATOM 0 HE3 LYS A 82 24.867 -8.612 14.803 1.00 2.77 H new ATOM 0 HZ1 LYS A 82 26.294 -7.760 13.042 1.00 3.13 H new ATOM 0 HZ2 LYS A 82 26.846 -9.283 13.551 1.00 3.13 H new ATOM 0 HZ3 LYS A 82 25.995 -9.133 12.089 1.00 3.13 H new ATOM 1244 N GLY A 83 21.624 -11.675 9.767 1.00 0.37 N ATOM 1245 CA GLY A 83 22.113 -11.562 8.375 1.00 0.39 C ATOM 1246 C GLY A 83 20.995 -11.914 7.390 1.00 0.32 C ATOM 1247 O GLY A 83 21.068 -11.599 6.219 1.00 0.39 O ATOM 0 H GLY A 83 20.774 -11.150 9.973 1.00 0.37 H new ATOM 0 HA2 GLY A 83 22.467 -10.548 8.188 1.00 0.39 H new ATOM 0 HA3 GLY A 83 22.962 -12.229 8.225 1.00 0.39 H new ATOM 1251 N GLN A 84 19.956 -12.551 7.853 1.00 0.22 N ATOM 1252 CA GLN A 84 18.837 -12.903 6.938 1.00 0.16 C ATOM 1253 C GLN A 84 17.751 -11.855 7.094 1.00 0.13 C ATOM 1254 O GLN A 84 17.662 -11.195 8.105 1.00 0.15 O ATOM 1255 CB GLN A 84 18.272 -14.280 7.308 1.00 0.14 C ATOM 1256 CG GLN A 84 16.866 -14.455 6.713 1.00 0.14 C ATOM 1257 CD GLN A 84 16.969 -14.567 5.189 1.00 0.23 C ATOM 1258 OE1 GLN A 84 18.039 -14.428 4.630 1.00 0.34 O ATOM 1259 NE2 GLN A 84 15.897 -14.814 4.487 1.00 0.52 N ATOM 0 H GLN A 84 19.834 -12.842 8.823 1.00 0.22 H new ATOM 0 HA GLN A 84 19.193 -12.935 5.908 1.00 0.16 H new ATOM 0 HB2 GLN A 84 18.932 -15.064 6.936 1.00 0.14 H new ATOM 0 HB3 GLN A 84 18.232 -14.385 8.392 1.00 0.14 H new ATOM 0 HG2 GLN A 84 16.394 -15.348 7.123 1.00 0.14 H new ATOM 0 HG3 GLN A 84 16.236 -13.608 6.985 1.00 0.14 H new ATOM 0 HE21 GLN A 84 14.998 -14.931 4.954 1.00 0.52 H new ATOM 0 HE22 GLN A 84 15.959 -14.890 3.472 1.00 0.52 H new ATOM 1268 N GLN A 85 16.915 -11.699 6.119 1.00 0.13 N ATOM 1269 CA GLN A 85 15.835 -10.702 6.253 1.00 0.13 C ATOM 1270 C GLN A 85 14.513 -11.450 6.369 1.00 0.17 C ATOM 1271 O GLN A 85 14.319 -12.489 5.770 1.00 0.30 O ATOM 1272 CB GLN A 85 15.830 -9.767 5.047 1.00 0.21 C ATOM 1273 CG GLN A 85 14.402 -9.574 4.570 1.00 0.29 C ATOM 1274 CD GLN A 85 14.360 -8.459 3.523 1.00 0.48 C ATOM 1275 OE1 GLN A 85 13.473 -7.629 3.536 1.00 0.18 O ATOM 1276 NE2 GLN A 85 15.293 -8.405 2.610 1.00 1.08 N ATOM 0 H GLN A 85 16.932 -12.216 5.240 1.00 0.13 H new ATOM 0 HA GLN A 85 15.989 -10.090 7.142 1.00 0.13 H new ATOM 0 HB2 GLN A 85 16.269 -8.806 5.315 1.00 0.21 H new ATOM 0 HB3 GLN A 85 16.440 -10.184 4.246 1.00 0.21 H new ATOM 0 HG2 GLN A 85 14.021 -10.502 4.144 1.00 0.29 H new ATOM 0 HG3 GLN A 85 13.757 -9.322 5.412 1.00 0.29 H new ATOM 0 HE21 GLN A 85 16.037 -9.102 2.600 1.00 1.08 H new ATOM 0 HE22 GLN A 85 15.277 -7.666 1.908 1.00 1.08 H new ATOM 1285 N TYR A 86 13.619 -10.953 7.169 1.00 0.08 N ATOM 1286 CA TYR A 86 12.328 -11.654 7.362 1.00 0.15 C ATOM 1287 C TYR A 86 11.164 -10.711 7.085 1.00 0.18 C ATOM 1288 O TYR A 86 11.264 -9.511 7.243 1.00 0.20 O ATOM 1289 CB TYR A 86 12.258 -12.147 8.806 1.00 0.16 C ATOM 1290 CG TYR A 86 13.344 -13.155 9.032 1.00 0.13 C ATOM 1291 CD1 TYR A 86 14.682 -12.753 9.054 1.00 0.14 C ATOM 1292 CD2 TYR A 86 13.010 -14.493 9.210 1.00 0.11 C ATOM 1293 CE1 TYR A 86 15.690 -13.698 9.255 1.00 0.12 C ATOM 1294 CE2 TYR A 86 14.016 -15.444 9.407 1.00 0.09 C ATOM 1295 CZ TYR A 86 15.358 -15.047 9.432 1.00 0.10 C ATOM 1296 OH TYR A 86 16.353 -15.983 9.626 1.00 0.08 O ATOM 0 H TYR A 86 13.728 -10.088 7.699 1.00 0.08 H new ATOM 0 HA TYR A 86 12.261 -12.494 6.671 1.00 0.15 H new ATOM 0 HB2 TYR A 86 12.372 -11.310 9.495 1.00 0.16 H new ATOM 0 HB3 TYR A 86 11.283 -12.593 9.004 1.00 0.16 H new ATOM 0 HD1 TYR A 86 14.936 -11.712 8.916 1.00 0.14 H new ATOM 0 HD2 TYR A 86 11.974 -14.798 9.196 1.00 0.11 H new ATOM 0 HE1 TYR A 86 16.725 -13.389 9.274 1.00 0.12 H new ATOM 0 HE2 TYR A 86 13.758 -16.484 9.540 1.00 0.09 H new ATOM 0 HH TYR A 86 15.951 -16.870 9.733 1.00 0.08 H new ATOM 1306 N ASP A 87 10.056 -11.258 6.683 1.00 0.17 N ATOM 1307 CA ASP A 87 8.865 -10.417 6.405 1.00 0.20 C ATOM 1308 C ASP A 87 7.750 -10.864 7.337 1.00 0.24 C ATOM 1309 O ASP A 87 7.254 -11.969 7.243 1.00 0.28 O ATOM 1310 CB ASP A 87 8.427 -10.611 4.950 1.00 0.23 C ATOM 1311 CG ASP A 87 7.161 -9.790 4.672 1.00 2.52 C ATOM 1312 OD1 ASP A 87 6.378 -9.610 5.589 1.00 3.09 O ATOM 1313 OD2 ASP A 87 6.998 -9.358 3.543 1.00 4.07 O ATOM 0 H ASP A 87 9.923 -12.258 6.534 1.00 0.17 H new ATOM 0 HA ASP A 87 9.096 -9.364 6.565 1.00 0.20 H new ATOM 0 HB2 ASP A 87 9.226 -10.302 4.276 1.00 0.23 H new ATOM 0 HB3 ASP A 87 8.236 -11.667 4.756 1.00 0.23 H new ATOM 1318 N ILE A 88 7.361 -10.027 8.250 1.00 0.23 N ATOM 1319 CA ILE A 88 6.291 -10.427 9.194 1.00 0.27 C ATOM 1320 C ILE A 88 4.980 -9.722 8.882 1.00 0.26 C ATOM 1321 O ILE A 88 4.895 -8.509 8.844 1.00 0.33 O ATOM 1322 CB ILE A 88 6.682 -10.073 10.623 1.00 0.28 C ATOM 1323 CG1 ILE A 88 5.488 -10.380 11.528 1.00 0.39 C ATOM 1324 CG2 ILE A 88 7.019 -8.582 10.728 1.00 0.25 C ATOM 1325 CD1 ILE A 88 5.949 -10.476 12.974 1.00 0.37 C ATOM 0 H ILE A 88 7.736 -9.088 8.383 1.00 0.23 H new ATOM 0 HA ILE A 88 6.161 -11.504 9.087 1.00 0.27 H new ATOM 0 HB ILE A 88 7.557 -10.651 10.920 1.00 0.28 H new ATOM 0 HG12 ILE A 88 4.734 -9.599 11.428 1.00 0.39 H new ATOM 0 HG13 ILE A 88 5.020 -11.316 11.223 1.00 0.39 H new ATOM 0 HG21 ILE A 88 7.297 -8.343 11.755 1.00 0.25 H new ATOM 0 HG22 ILE A 88 7.851 -8.349 10.064 1.00 0.25 H new ATOM 0 HG23 ILE A 88 6.149 -7.991 10.441 1.00 0.25 H new ATOM 0 HD11 ILE A 88 5.095 -10.695 13.615 1.00 0.37 H new ATOM 0 HD12 ILE A 88 6.687 -11.273 13.069 1.00 0.37 H new ATOM 0 HD13 ILE A 88 6.396 -9.529 13.277 1.00 0.37 H new ATOM 1337 N LYS A 89 3.946 -10.489 8.730 1.00 0.19 N ATOM 1338 CA LYS A 89 2.600 -9.908 8.500 1.00 0.18 C ATOM 1339 C LYS A 89 1.902 -9.972 9.855 1.00 0.15 C ATOM 1340 O LYS A 89 1.779 -11.033 10.434 1.00 0.36 O ATOM 1341 CB LYS A 89 1.839 -10.748 7.471 1.00 0.21 C ATOM 1342 CG LYS A 89 0.366 -10.340 7.464 1.00 0.36 C ATOM 1343 CD LYS A 89 -0.511 -11.593 7.458 1.00 1.61 C ATOM 1344 CE LYS A 89 -1.981 -11.183 7.386 1.00 2.04 C ATOM 1345 NZ LYS A 89 -2.497 -11.428 6.009 1.00 1.21 N ATOM 0 H LYS A 89 3.975 -11.508 8.755 1.00 0.19 H new ATOM 0 HA LYS A 89 2.649 -8.889 8.115 1.00 0.18 H new ATOM 0 HB2 LYS A 89 2.271 -10.606 6.480 1.00 0.21 H new ATOM 0 HB3 LYS A 89 1.932 -11.807 7.711 1.00 0.21 H new ATOM 0 HG2 LYS A 89 0.142 -9.731 8.340 1.00 0.36 H new ATOM 0 HG3 LYS A 89 0.151 -9.729 6.587 1.00 0.36 H new ATOM 0 HD2 LYS A 89 -0.256 -12.225 6.607 1.00 1.61 H new ATOM 0 HD3 LYS A 89 -0.330 -12.181 8.357 1.00 1.61 H new ATOM 0 HE2 LYS A 89 -2.564 -11.751 8.111 1.00 2.04 H new ATOM 0 HE3 LYS A 89 -2.089 -10.130 7.645 1.00 2.04 H new ATOM 0 HZ1 LYS A 89 -3.498 -11.149 5.959 1.00 1.21 H new ATOM 0 HZ2 LYS A 89 -1.947 -10.868 5.327 1.00 1.21 H new ATOM 0 HZ3 LYS A 89 -2.407 -12.438 5.779 1.00 1.21 H new ATOM 1359 N TYR A 90 1.499 -8.866 10.411 1.00 0.48 N ATOM 1360 CA TYR A 90 0.887 -8.946 11.763 1.00 0.48 C ATOM 1361 C TYR A 90 -0.343 -8.052 11.907 1.00 0.47 C ATOM 1362 O TYR A 90 -0.373 -6.925 11.454 1.00 0.49 O ATOM 1363 CB TYR A 90 1.919 -8.521 12.813 1.00 0.51 C ATOM 1364 CG TYR A 90 1.304 -8.738 14.156 1.00 0.39 C ATOM 1365 CD1 TYR A 90 0.830 -10.008 14.474 1.00 0.35 C ATOM 1366 CD2 TYR A 90 1.160 -7.679 15.060 1.00 0.47 C ATOM 1367 CE1 TYR A 90 0.200 -10.230 15.692 1.00 0.37 C ATOM 1368 CE2 TYR A 90 0.541 -7.904 16.292 1.00 0.36 C ATOM 1369 CZ TYR A 90 0.056 -9.182 16.605 1.00 0.29 C ATOM 1370 OH TYR A 90 -0.589 -9.405 17.799 1.00 0.33 O ATOM 0 H TYR A 90 1.564 -7.934 10.002 1.00 0.48 H new ATOM 0 HA TYR A 90 0.571 -9.979 11.910 1.00 0.48 H new ATOM 0 HB2 TYR A 90 2.834 -9.105 12.711 1.00 0.51 H new ATOM 0 HB3 TYR A 90 2.193 -7.474 12.681 1.00 0.51 H new ATOM 0 HD1 TYR A 90 0.952 -10.821 13.773 1.00 0.35 H new ATOM 0 HD2 TYR A 90 1.525 -6.695 14.807 1.00 0.47 H new ATOM 0 HE1 TYR A 90 -0.178 -11.212 15.933 1.00 0.37 H new ATOM 0 HE2 TYR A 90 0.436 -7.096 17.001 1.00 0.36 H new ATOM 0 HH TYR A 90 -1.549 -9.242 17.688 1.00 0.33 H new ATOM 1380 N THR A 91 -1.340 -8.549 12.593 1.00 0.43 N ATOM 1381 CA THR A 91 -2.560 -7.739 12.850 1.00 0.41 C ATOM 1382 C THR A 91 -2.347 -7.048 14.197 1.00 0.40 C ATOM 1383 O THR A 91 -1.807 -7.627 15.118 1.00 0.79 O ATOM 1384 CB THR A 91 -3.796 -8.643 12.923 1.00 0.41 C ATOM 1385 OG1 THR A 91 -3.393 -10.003 12.844 1.00 0.48 O ATOM 1386 CG2 THR A 91 -4.738 -8.319 11.762 1.00 0.71 C ATOM 0 H THR A 91 -1.358 -9.489 12.988 1.00 0.43 H new ATOM 0 HA THR A 91 -2.723 -7.017 12.050 1.00 0.41 H new ATOM 0 HB THR A 91 -4.315 -8.472 13.866 1.00 0.41 H new ATOM 0 HG1 THR A 91 -4.183 -10.581 12.892 1.00 0.48 H new ATOM 0 HG21 THR A 91 -5.616 -8.963 11.815 1.00 0.71 H new ATOM 0 HG22 THR A 91 -5.048 -7.276 11.825 1.00 0.71 H new ATOM 0 HG23 THR A 91 -4.222 -8.487 10.817 1.00 0.71 H new ATOM 1394 N TRP A 92 -2.721 -5.814 14.314 1.00 0.70 N ATOM 1395 CA TRP A 92 -2.489 -5.091 15.593 1.00 0.59 C ATOM 1396 C TRP A 92 -3.827 -4.624 16.164 1.00 0.59 C ATOM 1397 O TRP A 92 -4.239 -3.498 15.978 1.00 0.63 O ATOM 1398 CB TRP A 92 -1.577 -3.908 15.281 1.00 0.50 C ATOM 1399 CG TRP A 92 -1.196 -3.158 16.509 1.00 0.35 C ATOM 1400 CD1 TRP A 92 -0.543 -3.678 17.572 1.00 0.30 C ATOM 1401 CD2 TRP A 92 -1.398 -1.746 16.799 1.00 0.26 C ATOM 1402 NE1 TRP A 92 -0.327 -2.669 18.493 1.00 0.16 N ATOM 1403 CE2 TRP A 92 -0.834 -1.463 18.059 1.00 0.14 C ATOM 1404 CE3 TRP A 92 -2.010 -0.691 16.098 1.00 0.30 C ATOM 1405 CZ2 TRP A 92 -0.867 -0.184 18.598 1.00 0.14 C ATOM 1406 CZ3 TRP A 92 -2.047 0.600 16.655 1.00 0.27 C ATOM 1407 CH2 TRP A 92 -1.473 0.850 17.898 1.00 0.23 C ATOM 0 H TRP A 92 -3.178 -5.270 13.582 1.00 0.70 H new ATOM 0 HA TRP A 92 -2.020 -5.733 16.339 1.00 0.59 H new ATOM 0 HB2 TRP A 92 -0.677 -4.266 14.781 1.00 0.50 H new ATOM 0 HB3 TRP A 92 -2.081 -3.235 14.587 1.00 0.50 H new ATOM 0 HD1 TRP A 92 -0.241 -4.709 17.684 1.00 0.30 H new ATOM 0 HE1 TRP A 92 0.150 -2.801 19.385 1.00 0.16 H new ATOM 0 HE3 TRP A 92 -2.453 -0.873 15.130 1.00 0.30 H new ATOM 0 HZ2 TRP A 92 -0.421 0.007 19.563 1.00 0.14 H new ATOM 0 HZ3 TRP A 92 -2.525 1.404 16.114 1.00 0.27 H new ATOM 0 HH2 TRP A 92 -1.499 1.845 18.316 1.00 0.23 H new ATOM 1418 N ASN A 93 -4.512 -5.498 16.849 1.00 0.66 N ATOM 1419 CA ASN A 93 -5.834 -5.133 17.425 1.00 0.65 C ATOM 1420 C ASN A 93 -5.670 -3.984 18.422 1.00 0.49 C ATOM 1421 O ASN A 93 -5.158 -4.155 19.509 1.00 0.52 O ATOM 1422 CB ASN A 93 -6.426 -6.348 18.142 1.00 0.81 C ATOM 1423 CG ASN A 93 -7.921 -6.128 18.373 1.00 1.08 C ATOM 1424 OD1 ASN A 93 -8.666 -5.906 17.440 1.00 1.17 O ATOM 1425 ND2 ASN A 93 -8.397 -6.187 19.586 1.00 1.55 N ATOM 0 H ASN A 93 -4.210 -6.454 17.035 1.00 0.66 H new ATOM 0 HA ASN A 93 -6.501 -4.817 16.623 1.00 0.65 H new ATOM 0 HB2 ASN A 93 -6.268 -7.247 17.546 1.00 0.81 H new ATOM 0 HB3 ASN A 93 -5.919 -6.504 19.095 1.00 0.81 H new ATOM 0 HD21 ASN A 93 -9.394 -6.047 19.750 1.00 1.55 H new ATOM 0 HD22 ASN A 93 -7.772 -6.373 20.370 1.00 1.55 H new ATOM 1432 N VAL A 94 -6.124 -2.819 18.056 1.00 0.55 N ATOM 1433 CA VAL A 94 -6.028 -1.645 18.968 1.00 0.64 C ATOM 1434 C VAL A 94 -6.521 -2.079 20.362 1.00 0.70 C ATOM 1435 O VAL A 94 -7.420 -2.889 20.467 1.00 0.83 O ATOM 1436 CB VAL A 94 -6.902 -0.527 18.379 1.00 1.02 C ATOM 1437 CG1 VAL A 94 -6.750 0.769 19.175 1.00 1.19 C ATOM 1438 CG2 VAL A 94 -6.469 -0.257 16.937 1.00 1.19 C ATOM 0 H VAL A 94 -6.562 -2.628 17.155 1.00 0.55 H new ATOM 0 HA VAL A 94 -5.006 -1.278 19.065 1.00 0.64 H new ATOM 0 HB VAL A 94 -7.942 -0.851 18.421 1.00 1.02 H new ATOM 0 HG11 VAL A 94 -7.380 1.542 18.735 1.00 1.19 H new ATOM 0 HG12 VAL A 94 -7.052 0.599 20.208 1.00 1.19 H new ATOM 0 HG13 VAL A 94 -5.709 1.091 19.150 1.00 1.19 H new ATOM 0 HG21 VAL A 94 -7.086 0.536 16.514 1.00 1.19 H new ATOM 0 HG22 VAL A 94 -5.423 0.050 16.923 1.00 1.19 H new ATOM 0 HG23 VAL A 94 -6.589 -1.165 16.345 1.00 1.19 H new ATOM 1448 N PRO A 95 -5.898 -1.549 21.389 1.00 0.76 N ATOM 1449 CA PRO A 95 -6.228 -1.890 22.793 1.00 1.11 C ATOM 1450 C PRO A 95 -7.603 -1.376 23.227 1.00 1.60 C ATOM 1451 O PRO A 95 -8.081 -1.715 24.291 1.00 3.72 O ATOM 1452 CB PRO A 95 -5.103 -1.232 23.600 1.00 0.99 C ATOM 1453 CG PRO A 95 -4.495 -0.140 22.697 1.00 0.69 C ATOM 1454 CD PRO A 95 -4.818 -0.550 21.250 1.00 0.61 C ATOM 0 HA PRO A 95 -6.291 -2.968 22.942 1.00 1.11 H new ATOM 0 HB2 PRO A 95 -5.490 -0.801 24.523 1.00 0.99 H new ATOM 0 HB3 PRO A 95 -4.348 -1.966 23.883 1.00 0.99 H new ATOM 0 HG2 PRO A 95 -4.919 0.837 22.929 1.00 0.69 H new ATOM 0 HG3 PRO A 95 -3.418 -0.064 22.849 1.00 0.69 H new ATOM 0 HD2 PRO A 95 -5.141 0.305 20.656 1.00 0.61 H new ATOM 0 HD3 PRO A 95 -3.946 -0.973 20.752 1.00 0.61 H new ATOM 1462 N LYS A 96 -8.248 -0.575 22.429 1.00 0.89 N ATOM 1463 CA LYS A 96 -9.599 -0.065 22.818 1.00 0.72 C ATOM 1464 C LYS A 96 -9.475 1.068 23.843 1.00 0.70 C ATOM 1465 O LYS A 96 -10.403 1.826 24.047 1.00 0.69 O ATOM 1466 CB LYS A 96 -10.420 -1.199 23.432 1.00 1.17 C ATOM 1467 CG LYS A 96 -11.813 -1.213 22.807 1.00 1.19 C ATOM 1468 CD LYS A 96 -11.999 -2.509 22.037 1.00 0.85 C ATOM 1469 CE LYS A 96 -11.922 -3.691 23.004 1.00 2.60 C ATOM 1470 NZ LYS A 96 -11.998 -4.965 22.236 1.00 3.32 N ATOM 0 H LYS A 96 -7.903 -0.250 21.526 1.00 0.89 H new ATOM 0 HA LYS A 96 -10.093 0.314 21.923 1.00 0.72 H new ATOM 0 HB2 LYS A 96 -9.924 -2.155 23.263 1.00 1.17 H new ATOM 0 HB3 LYS A 96 -10.495 -1.065 24.511 1.00 1.17 H new ATOM 0 HG2 LYS A 96 -12.574 -1.124 23.582 1.00 1.19 H new ATOM 0 HG3 LYS A 96 -11.935 -0.359 22.141 1.00 1.19 H new ATOM 0 HD2 LYS A 96 -12.962 -2.506 21.525 1.00 0.85 H new ATOM 0 HD3 LYS A 96 -11.231 -2.602 21.270 1.00 0.85 H new ATOM 0 HE2 LYS A 96 -10.992 -3.651 23.571 1.00 2.60 H new ATOM 0 HE3 LYS A 96 -12.738 -3.639 23.725 1.00 2.60 H new ATOM 0 HZ1 LYS A 96 -11.946 -5.770 22.893 1.00 3.32 H new ATOM 0 HZ2 LYS A 96 -12.896 -5.002 21.713 1.00 3.32 H new ATOM 0 HZ3 LYS A 96 -11.205 -5.014 21.565 1.00 3.32 H new ATOM 1484 N ILE A 97 -8.350 1.201 24.493 1.00 0.68 N ATOM 1485 CA ILE A 97 -8.205 2.288 25.489 1.00 0.64 C ATOM 1486 C ILE A 97 -7.712 3.529 24.772 1.00 0.56 C ATOM 1487 O ILE A 97 -7.933 4.641 25.210 1.00 0.54 O ATOM 1488 CB ILE A 97 -7.178 1.877 26.534 1.00 0.65 C ATOM 1489 CG1 ILE A 97 -5.765 2.016 25.952 1.00 0.64 C ATOM 1490 CG2 ILE A 97 -7.425 0.426 26.946 1.00 0.70 C ATOM 1491 CD1 ILE A 97 -4.732 1.737 27.045 1.00 0.66 C ATOM 0 H ILE A 97 -7.531 0.604 24.375 1.00 0.68 H new ATOM 0 HA ILE A 97 -9.161 2.484 25.975 1.00 0.64 H new ATOM 0 HB ILE A 97 -7.270 2.523 27.407 1.00 0.65 H new ATOM 0 HG12 ILE A 97 -5.631 1.319 25.124 1.00 0.64 H new ATOM 0 HG13 ILE A 97 -5.623 3.019 25.550 1.00 0.64 H new ATOM 0 HG21 ILE A 97 -6.690 0.130 27.695 1.00 0.70 H new ATOM 0 HG22 ILE A 97 -8.427 0.332 27.364 1.00 0.70 H new ATOM 0 HG23 ILE A 97 -7.334 -0.221 26.073 1.00 0.70 H new ATOM 0 HD11 ILE A 97 -3.729 1.836 26.631 1.00 0.66 H new ATOM 0 HD12 ILE A 97 -4.861 2.451 27.858 1.00 0.66 H new ATOM 0 HD13 ILE A 97 -4.869 0.725 27.426 1.00 0.66 H new ATOM 1503 N ALA A 98 -7.041 3.329 23.671 1.00 0.51 N ATOM 1504 CA ALA A 98 -6.513 4.472 22.880 1.00 0.42 C ATOM 1505 C ALA A 98 -7.487 5.645 22.993 1.00 0.51 C ATOM 1506 O ALA A 98 -8.625 5.542 22.584 1.00 0.57 O ATOM 1507 CB ALA A 98 -6.389 4.063 21.412 1.00 0.22 C ATOM 0 H ALA A 98 -6.834 2.409 23.282 1.00 0.51 H new ATOM 0 HA ALA A 98 -5.533 4.761 23.261 1.00 0.42 H new ATOM 0 HB1 ALA A 98 -6.002 4.901 20.832 1.00 0.22 H new ATOM 0 HB2 ALA A 98 -5.707 3.217 21.326 1.00 0.22 H new ATOM 0 HB3 ALA A 98 -7.369 3.779 21.029 1.00 0.22 H new ATOM 1513 N PRO A 99 -7.022 6.718 23.568 1.00 0.57 N ATOM 1514 CA PRO A 99 -7.836 7.917 23.781 1.00 0.66 C ATOM 1515 C PRO A 99 -7.829 8.759 22.510 1.00 0.53 C ATOM 1516 O PRO A 99 -6.784 9.043 21.967 1.00 0.48 O ATOM 1517 CB PRO A 99 -7.109 8.639 24.921 1.00 0.77 C ATOM 1518 CG PRO A 99 -5.647 8.124 24.903 1.00 0.72 C ATOM 1519 CD PRO A 99 -5.637 6.839 24.051 1.00 0.60 C ATOM 0 HA PRO A 99 -8.880 7.710 24.018 1.00 0.66 H new ATOM 0 HB2 PRO A 99 -7.142 9.719 24.780 1.00 0.77 H new ATOM 0 HB3 PRO A 99 -7.583 8.428 25.879 1.00 0.77 H new ATOM 0 HG2 PRO A 99 -4.978 8.874 24.480 1.00 0.72 H new ATOM 0 HG3 PRO A 99 -5.297 7.920 25.915 1.00 0.72 H new ATOM 0 HD2 PRO A 99 -4.931 6.915 23.224 1.00 0.60 H new ATOM 0 HD3 PRO A 99 -5.344 5.971 24.642 1.00 0.60 H new ATOM 1527 N LYS A 100 -8.978 9.155 22.031 1.00 0.55 N ATOM 1528 CA LYS A 100 -9.019 9.981 20.794 1.00 0.48 C ATOM 1529 C LYS A 100 -7.987 11.097 20.924 1.00 0.35 C ATOM 1530 O LYS A 100 -8.261 12.161 21.443 1.00 0.39 O ATOM 1531 CB LYS A 100 -10.420 10.572 20.627 1.00 0.62 C ATOM 1532 CG LYS A 100 -11.067 9.992 19.365 1.00 0.82 C ATOM 1533 CD LYS A 100 -11.496 11.127 18.431 1.00 1.39 C ATOM 1534 CE LYS A 100 -10.357 12.139 18.295 1.00 2.39 C ATOM 1535 NZ LYS A 100 -10.493 12.875 17.005 1.00 3.88 N ATOM 0 H LYS A 100 -9.887 8.942 22.443 1.00 0.55 H new ATOM 0 HA LYS A 100 -8.790 9.372 19.920 1.00 0.48 H new ATOM 0 HB2 LYS A 100 -11.030 10.343 21.501 1.00 0.62 H new ATOM 0 HB3 LYS A 100 -10.363 11.658 20.554 1.00 0.62 H new ATOM 0 HG2 LYS A 100 -10.363 9.335 18.854 1.00 0.82 H new ATOM 0 HG3 LYS A 100 -11.931 9.385 19.635 1.00 0.82 H new ATOM 0 HD2 LYS A 100 -11.758 10.726 17.452 1.00 1.39 H new ATOM 0 HD3 LYS A 100 -12.387 11.618 18.824 1.00 1.39 H new ATOM 0 HE2 LYS A 100 -10.378 12.840 19.129 1.00 2.39 H new ATOM 0 HE3 LYS A 100 -9.396 11.627 18.334 1.00 2.39 H new ATOM 0 HZ1 LYS A 100 -9.703 12.623 16.377 1.00 3.88 H new ATOM 0 HZ2 LYS A 100 -11.392 12.617 16.551 1.00 3.88 H new ATOM 0 HZ3 LYS A 100 -10.478 13.899 17.186 1.00 3.88 H new ATOM 1549 N SER A 101 -6.794 10.843 20.474 1.00 0.24 N ATOM 1550 CA SER A 101 -5.718 11.856 20.582 1.00 0.20 C ATOM 1551 C SER A 101 -5.503 12.508 19.215 1.00 0.15 C ATOM 1552 O SER A 101 -5.268 11.840 18.229 1.00 0.20 O ATOM 1553 CB SER A 101 -4.435 11.161 21.048 1.00 0.32 C ATOM 1554 OG SER A 101 -3.472 11.205 20.006 1.00 1.65 O ATOM 0 H SER A 101 -6.517 9.967 20.031 1.00 0.24 H new ATOM 0 HA SER A 101 -5.992 12.628 21.301 1.00 0.20 H new ATOM 0 HB2 SER A 101 -4.045 11.652 21.940 1.00 0.32 H new ATOM 0 HB3 SER A 101 -4.646 10.127 21.320 1.00 0.32 H new ATOM 0 HG SER A 101 -2.680 11.695 20.313 1.00 1.65 H new ATOM 1560 N GLU A 102 -5.597 13.808 19.150 1.00 0.12 N ATOM 1561 CA GLU A 102 -5.412 14.506 17.845 1.00 0.20 C ATOM 1562 C GLU A 102 -4.244 13.882 17.078 1.00 0.22 C ATOM 1563 O GLU A 102 -4.342 13.608 15.899 1.00 0.28 O ATOM 1564 CB GLU A 102 -5.127 15.990 18.093 1.00 0.27 C ATOM 1565 CG GLU A 102 -4.073 16.133 19.191 1.00 0.60 C ATOM 1566 CD GLU A 102 -3.999 17.594 19.636 1.00 0.69 C ATOM 1567 OE1 GLU A 102 -3.294 18.353 18.992 1.00 0.66 O ATOM 1568 OE2 GLU A 102 -4.649 17.930 20.612 1.00 0.83 O ATOM 0 H GLU A 102 -5.794 14.417 19.944 1.00 0.12 H new ATOM 0 HA GLU A 102 -6.322 14.403 17.254 1.00 0.20 H new ATOM 0 HB2 GLU A 102 -4.777 16.462 17.175 1.00 0.27 H new ATOM 0 HB3 GLU A 102 -6.043 16.503 18.385 1.00 0.27 H new ATOM 0 HG2 GLU A 102 -4.326 15.496 20.038 1.00 0.60 H new ATOM 0 HG3 GLU A 102 -3.101 15.804 18.823 1.00 0.60 H new ATOM 1575 N ASN A 103 -3.135 13.656 17.729 1.00 0.19 N ATOM 1576 CA ASN A 103 -1.973 13.055 17.016 1.00 0.21 C ATOM 1577 C ASN A 103 -1.437 11.854 17.797 1.00 0.19 C ATOM 1578 O ASN A 103 -1.364 11.865 19.010 1.00 0.27 O ATOM 1579 CB ASN A 103 -0.867 14.103 16.871 1.00 0.23 C ATOM 1580 CG ASN A 103 -0.292 14.051 15.452 1.00 0.25 C ATOM 1581 OD1 ASN A 103 -1.000 14.264 14.489 1.00 0.81 O ATOM 1582 ND2 ASN A 103 0.974 13.777 15.282 1.00 0.31 N ATOM 0 H ASN A 103 -2.984 13.860 18.717 1.00 0.19 H new ATOM 0 HA ASN A 103 -2.296 12.721 16.030 1.00 0.21 H new ATOM 0 HB2 ASN A 103 -1.265 15.097 17.077 1.00 0.23 H new ATOM 0 HB3 ASN A 103 -0.079 13.918 17.601 1.00 0.23 H new ATOM 0 HD21 ASN A 103 1.366 13.742 14.341 1.00 0.31 H new ATOM 0 HD22 ASN A 103 1.570 13.598 16.090 1.00 0.31 H new ATOM 1589 N VAL A 104 -1.056 10.821 17.101 1.00 0.10 N ATOM 1590 CA VAL A 104 -0.515 9.616 17.773 1.00 0.10 C ATOM 1591 C VAL A 104 0.763 9.171 17.064 1.00 0.09 C ATOM 1592 O VAL A 104 0.896 9.301 15.863 1.00 0.10 O ATOM 1593 CB VAL A 104 -1.543 8.487 17.706 1.00 0.15 C ATOM 1594 CG1 VAL A 104 -0.826 7.137 17.793 1.00 0.13 C ATOM 1595 CG2 VAL A 104 -2.515 8.624 18.875 1.00 0.20 C ATOM 0 H VAL A 104 -1.098 10.763 16.084 1.00 0.10 H new ATOM 0 HA VAL A 104 -0.297 9.851 18.815 1.00 0.10 H new ATOM 0 HB VAL A 104 -2.090 8.545 16.765 1.00 0.15 H new ATOM 0 HG11 VAL A 104 -1.559 6.332 17.745 1.00 0.13 H new ATOM 0 HG12 VAL A 104 -0.128 7.042 16.962 1.00 0.13 H new ATOM 0 HG13 VAL A 104 -0.280 7.075 18.734 1.00 0.13 H new ATOM 0 HG21 VAL A 104 -3.251 7.821 18.832 1.00 0.20 H new ATOM 0 HG22 VAL A 104 -1.965 8.563 19.814 1.00 0.20 H new ATOM 0 HG23 VAL A 104 -3.024 9.586 18.814 1.00 0.20 H new ATOM 1605 N VAL A 105 1.692 8.623 17.790 1.00 0.14 N ATOM 1606 CA VAL A 105 2.943 8.142 17.152 1.00 0.17 C ATOM 1607 C VAL A 105 3.093 6.665 17.493 1.00 0.17 C ATOM 1608 O VAL A 105 3.167 6.287 18.645 1.00 0.18 O ATOM 1609 CB VAL A 105 4.143 8.931 17.680 1.00 0.19 C ATOM 1610 CG1 VAL A 105 5.410 8.083 17.561 1.00 0.38 C ATOM 1611 CG2 VAL A 105 4.307 10.209 16.853 1.00 0.53 C ATOM 0 H VAL A 105 1.639 8.487 18.800 1.00 0.14 H new ATOM 0 HA VAL A 105 2.900 8.283 16.072 1.00 0.17 H new ATOM 0 HB VAL A 105 3.978 9.187 18.727 1.00 0.19 H new ATOM 0 HG11 VAL A 105 6.263 8.648 17.938 1.00 0.38 H new ATOM 0 HG12 VAL A 105 5.293 7.170 18.145 1.00 0.38 H new ATOM 0 HG13 VAL A 105 5.579 7.826 16.515 1.00 0.38 H new ATOM 0 HG21 VAL A 105 5.161 10.776 17.225 1.00 0.53 H new ATOM 0 HG22 VAL A 105 4.472 9.947 15.808 1.00 0.53 H new ATOM 0 HG23 VAL A 105 3.405 10.815 16.937 1.00 0.53 H new ATOM 1621 N VAL A 106 3.108 5.823 16.505 1.00 0.17 N ATOM 1622 CA VAL A 106 3.218 4.369 16.779 1.00 0.17 C ATOM 1623 C VAL A 106 4.654 3.900 16.549 1.00 0.16 C ATOM 1624 O VAL A 106 5.335 4.354 15.650 1.00 0.17 O ATOM 1625 CB VAL A 106 2.260 3.612 15.860 1.00 0.15 C ATOM 1626 CG1 VAL A 106 2.190 2.144 16.288 1.00 0.24 C ATOM 1627 CG2 VAL A 106 0.869 4.247 15.967 1.00 0.30 C ATOM 0 H VAL A 106 3.049 6.078 15.519 1.00 0.17 H new ATOM 0 HA VAL A 106 2.953 4.172 17.818 1.00 0.17 H new ATOM 0 HB VAL A 106 2.613 3.666 14.830 1.00 0.15 H new ATOM 0 HG11 VAL A 106 1.506 1.606 15.631 1.00 0.24 H new ATOM 0 HG12 VAL A 106 3.182 1.698 16.222 1.00 0.24 H new ATOM 0 HG13 VAL A 106 1.831 2.081 17.315 1.00 0.24 H new ATOM 0 HG21 VAL A 106 0.175 3.716 15.315 1.00 0.30 H new ATOM 0 HG22 VAL A 106 0.519 4.185 16.997 1.00 0.30 H new ATOM 0 HG23 VAL A 106 0.922 5.293 15.664 1.00 0.30 H new ATOM 1637 N THR A 107 5.117 3.001 17.368 1.00 0.17 N ATOM 1638 CA THR A 107 6.506 2.494 17.229 1.00 0.22 C ATOM 1639 C THR A 107 6.476 0.984 17.051 1.00 0.23 C ATOM 1640 O THR A 107 6.075 0.263 17.934 1.00 0.23 O ATOM 1641 CB THR A 107 7.277 2.804 18.510 1.00 0.27 C ATOM 1642 OG1 THR A 107 7.120 4.178 18.839 1.00 0.23 O ATOM 1643 CG2 THR A 107 8.759 2.487 18.306 1.00 0.35 C ATOM 0 H THR A 107 4.585 2.592 18.136 1.00 0.17 H new ATOM 0 HA THR A 107 6.981 2.967 16.369 1.00 0.22 H new ATOM 0 HB THR A 107 6.888 2.193 19.324 1.00 0.27 H new ATOM 0 HG1 THR A 107 7.614 4.376 19.662 1.00 0.23 H new ATOM 0 HG21 THR A 107 9.308 2.709 19.221 1.00 0.35 H new ATOM 0 HG22 THR A 107 8.875 1.431 18.060 1.00 0.35 H new ATOM 0 HG23 THR A 107 9.152 3.095 17.491 1.00 0.35 H new ATOM 1651 N VAL A 108 6.928 0.491 15.940 1.00 0.25 N ATOM 1652 CA VAL A 108 6.945 -0.980 15.742 1.00 0.30 C ATOM 1653 C VAL A 108 8.336 -1.468 16.140 1.00 0.32 C ATOM 1654 O VAL A 108 9.326 -0.914 15.721 1.00 0.28 O ATOM 1655 CB VAL A 108 6.677 -1.286 14.271 1.00 0.31 C ATOM 1656 CG1 VAL A 108 7.916 -1.931 13.648 1.00 0.34 C ATOM 1657 CG2 VAL A 108 5.477 -2.232 14.159 1.00 0.30 C ATOM 0 H VAL A 108 7.287 1.041 15.159 1.00 0.25 H new ATOM 0 HA VAL A 108 6.182 -1.476 16.342 1.00 0.30 H new ATOM 0 HB VAL A 108 6.454 -0.362 13.738 1.00 0.31 H new ATOM 0 HG11 VAL A 108 7.723 -2.149 12.598 1.00 0.34 H new ATOM 0 HG12 VAL A 108 8.761 -1.247 13.728 1.00 0.34 H new ATOM 0 HG13 VAL A 108 8.148 -2.857 14.174 1.00 0.34 H new ATOM 0 HG21 VAL A 108 5.284 -2.452 13.109 1.00 0.30 H new ATOM 0 HG22 VAL A 108 5.694 -3.159 14.690 1.00 0.30 H new ATOM 0 HG23 VAL A 108 4.599 -1.759 14.598 1.00 0.30 H new ATOM 1667 N LYS A 109 8.441 -2.457 16.976 1.00 0.36 N ATOM 1668 CA LYS A 109 9.802 -2.877 17.403 1.00 0.38 C ATOM 1669 C LYS A 109 9.930 -4.397 17.498 1.00 0.36 C ATOM 1670 O LYS A 109 9.146 -5.066 18.132 1.00 0.35 O ATOM 1671 CB LYS A 109 10.079 -2.256 18.771 1.00 0.37 C ATOM 1672 CG LYS A 109 11.453 -2.694 19.270 1.00 0.96 C ATOM 1673 CD LYS A 109 11.440 -2.760 20.797 1.00 1.05 C ATOM 1674 CE LYS A 109 12.092 -1.504 21.371 1.00 0.77 C ATOM 1675 NZ LYS A 109 11.382 -0.298 20.862 1.00 0.88 N ATOM 0 H LYS A 109 7.664 -2.984 17.376 1.00 0.36 H new ATOM 0 HA LYS A 109 10.523 -2.538 16.659 1.00 0.38 H new ATOM 0 HB2 LYS A 109 10.037 -1.169 18.702 1.00 0.37 H new ATOM 0 HB3 LYS A 109 9.310 -2.561 19.481 1.00 0.37 H new ATOM 0 HG2 LYS A 109 11.709 -3.669 18.855 1.00 0.96 H new ATOM 0 HG3 LYS A 109 12.216 -1.993 18.932 1.00 0.96 H new ATOM 0 HD2 LYS A 109 10.415 -2.847 21.158 1.00 1.05 H new ATOM 0 HD3 LYS A 109 11.975 -3.647 21.137 1.00 1.05 H new ATOM 0 HE2 LYS A 109 12.055 -1.528 22.460 1.00 0.77 H new ATOM 0 HE3 LYS A 109 13.144 -1.466 21.088 1.00 0.77 H new ATOM 0 HZ1 LYS A 109 11.661 0.532 21.424 1.00 0.88 H new ATOM 0 HZ2 LYS A 109 11.634 -0.142 19.865 1.00 0.88 H new ATOM 0 HZ3 LYS A 109 10.355 -0.441 20.941 1.00 0.88 H new ATOM 1689 N LEU A 110 10.954 -4.936 16.911 1.00 0.34 N ATOM 1690 CA LEU A 110 11.180 -6.400 16.997 1.00 0.31 C ATOM 1691 C LEU A 110 12.272 -6.621 18.040 1.00 0.29 C ATOM 1692 O LEU A 110 13.175 -5.820 18.164 1.00 0.31 O ATOM 1693 CB LEU A 110 11.642 -6.944 15.643 1.00 0.24 C ATOM 1694 CG LEU A 110 10.491 -6.885 14.638 1.00 0.28 C ATOM 1695 CD1 LEU A 110 10.816 -7.780 13.444 1.00 0.26 C ATOM 1696 CD2 LEU A 110 9.202 -7.373 15.301 1.00 0.35 C ATOM 0 H LEU A 110 11.650 -4.422 16.371 1.00 0.34 H new ATOM 0 HA LEU A 110 10.261 -6.917 17.272 1.00 0.31 H new ATOM 0 HB2 LEU A 110 12.487 -6.361 15.276 1.00 0.24 H new ATOM 0 HB3 LEU A 110 11.988 -7.972 15.753 1.00 0.24 H new ATOM 0 HG LEU A 110 10.357 -5.857 14.301 1.00 0.28 H new ATOM 0 HD11 LEU A 110 9.997 -7.740 12.726 1.00 0.26 H new ATOM 0 HD12 LEU A 110 11.733 -7.433 12.968 1.00 0.26 H new ATOM 0 HD13 LEU A 110 10.950 -8.807 13.785 1.00 0.26 H new ATOM 0 HD21 LEU A 110 8.384 -7.330 14.582 1.00 0.35 H new ATOM 0 HD22 LEU A 110 9.333 -8.401 15.639 1.00 0.35 H new ATOM 0 HD23 LEU A 110 8.969 -6.737 16.155 1.00 0.35 H new ATOM 1708 N ILE A 111 12.187 -7.659 18.825 1.00 0.30 N ATOM 1709 CA ILE A 111 13.213 -7.861 19.871 1.00 0.28 C ATOM 1710 C ILE A 111 13.657 -9.322 19.930 1.00 0.15 C ATOM 1711 O ILE A 111 12.887 -10.206 20.250 1.00 0.15 O ATOM 1712 CB ILE A 111 12.620 -7.475 21.219 1.00 0.38 C ATOM 1713 CG1 ILE A 111 12.369 -5.969 21.249 1.00 0.41 C ATOM 1714 CG2 ILE A 111 13.606 -7.854 22.309 1.00 0.42 C ATOM 1715 CD1 ILE A 111 10.995 -5.675 20.654 1.00 0.43 C ATOM 0 H ILE A 111 11.455 -8.368 18.784 1.00 0.30 H new ATOM 0 HA ILE A 111 14.079 -7.243 19.634 1.00 0.28 H new ATOM 0 HB ILE A 111 11.676 -7.996 21.378 1.00 0.38 H new ATOM 0 HG12 ILE A 111 12.421 -5.600 22.273 1.00 0.41 H new ATOM 0 HG13 ILE A 111 13.142 -5.449 20.683 1.00 0.41 H new ATOM 0 HG21 ILE A 111 13.195 -7.583 23.282 1.00 0.42 H new ATOM 0 HG22 ILE A 111 13.788 -8.928 22.278 1.00 0.42 H new ATOM 0 HG23 ILE A 111 14.545 -7.323 22.151 1.00 0.42 H new ATOM 0 HD11 ILE A 111 10.812 -4.601 20.674 1.00 0.43 H new ATOM 0 HD12 ILE A 111 10.961 -6.030 19.624 1.00 0.43 H new ATOM 0 HD13 ILE A 111 10.229 -6.184 21.239 1.00 0.43 H new ATOM 1727 N GLY A 112 14.902 -9.575 19.652 1.00 0.11 N ATOM 1728 CA GLY A 112 15.411 -10.969 19.725 1.00 0.15 C ATOM 1729 C GLY A 112 15.960 -11.204 21.133 1.00 0.27 C ATOM 1730 O GLY A 112 15.770 -10.398 22.023 1.00 0.96 O ATOM 0 H GLY A 112 15.591 -8.875 19.377 1.00 0.11 H new ATOM 0 HA2 GLY A 112 14.612 -11.677 19.505 1.00 0.15 H new ATOM 0 HA3 GLY A 112 16.192 -11.128 18.981 1.00 0.15 H new ATOM 1734 N ASP A 113 16.638 -12.293 21.348 1.00 0.58 N ATOM 1735 CA ASP A 113 17.195 -12.562 22.702 1.00 0.60 C ATOM 1736 C ASP A 113 18.483 -11.757 22.900 1.00 0.59 C ATOM 1737 O ASP A 113 19.136 -11.856 23.921 1.00 0.58 O ATOM 1738 CB ASP A 113 17.509 -14.051 22.828 1.00 0.67 C ATOM 1739 CG ASP A 113 16.367 -14.757 23.560 1.00 0.80 C ATOM 1740 OD1 ASP A 113 16.370 -14.740 24.780 1.00 1.05 O ATOM 1741 OD2 ASP A 113 15.507 -15.304 22.889 1.00 0.83 O ATOM 0 H ASP A 113 16.831 -13.008 20.647 1.00 0.58 H new ATOM 0 HA ASP A 113 16.466 -12.271 23.458 1.00 0.60 H new ATOM 0 HB2 ASP A 113 17.646 -14.489 21.839 1.00 0.67 H new ATOM 0 HB3 ASP A 113 18.444 -14.191 23.371 1.00 0.67 H new ATOM 1746 N ASN A 114 18.863 -10.974 21.928 1.00 0.59 N ATOM 1747 CA ASN A 114 20.119 -10.179 22.063 1.00 0.58 C ATOM 1748 C ASN A 114 19.809 -8.678 22.100 1.00 0.55 C ATOM 1749 O ASN A 114 20.682 -7.866 22.332 1.00 0.57 O ATOM 1750 CB ASN A 114 21.038 -10.484 20.879 1.00 0.59 C ATOM 1751 CG ASN A 114 20.680 -11.852 20.293 1.00 2.40 C ATOM 1752 OD1 ASN A 114 19.705 -11.985 19.581 1.00 4.71 O ATOM 1753 ND2 ASN A 114 21.433 -12.882 20.567 1.00 1.76 N ATOM 0 H ASN A 114 18.361 -10.850 21.049 1.00 0.59 H new ATOM 0 HA ASN A 114 20.611 -10.453 22.996 1.00 0.58 H new ATOM 0 HB2 ASN A 114 20.935 -9.712 20.117 1.00 0.59 H new ATOM 0 HB3 ASN A 114 22.079 -10.476 21.202 1.00 0.59 H new ATOM 0 HD21 ASN A 114 21.203 -13.799 20.183 1.00 1.76 H new ATOM 0 HD22 ASN A 114 22.252 -12.770 21.165 1.00 1.76 H new ATOM 1760 N GLY A 115 18.580 -8.297 21.885 1.00 0.51 N ATOM 1761 CA GLY A 115 18.243 -6.842 21.921 1.00 0.47 C ATOM 1762 C GLY A 115 17.075 -6.546 20.976 1.00 0.37 C ATOM 1763 O GLY A 115 16.254 -7.396 20.704 1.00 0.34 O ATOM 0 H GLY A 115 17.799 -8.923 21.687 1.00 0.51 H new ATOM 0 HA2 GLY A 115 17.982 -6.547 22.937 1.00 0.47 H new ATOM 0 HA3 GLY A 115 19.113 -6.253 21.631 1.00 0.47 H new ATOM 1767 N VAL A 116 16.998 -5.342 20.477 1.00 0.36 N ATOM 1768 CA VAL A 116 15.886 -4.983 19.549 1.00 0.27 C ATOM 1769 C VAL A 116 16.258 -5.386 18.123 1.00 0.21 C ATOM 1770 O VAL A 116 17.125 -4.798 17.508 1.00 0.21 O ATOM 1771 CB VAL A 116 15.663 -3.470 19.596 1.00 0.20 C ATOM 1772 CG1 VAL A 116 14.184 -3.167 19.399 1.00 0.34 C ATOM 1773 CG2 VAL A 116 16.119 -2.931 20.953 1.00 0.10 C ATOM 0 H VAL A 116 17.658 -4.590 20.672 1.00 0.36 H new ATOM 0 HA VAL A 116 14.978 -5.505 19.851 1.00 0.27 H new ATOM 0 HB VAL A 116 16.239 -2.993 18.803 1.00 0.20 H new ATOM 0 HG11 VAL A 116 14.026 -2.089 19.433 1.00 0.34 H new ATOM 0 HG12 VAL A 116 13.859 -3.551 18.432 1.00 0.34 H new ATOM 0 HG13 VAL A 116 13.606 -3.643 20.191 1.00 0.34 H new ATOM 0 HG21 VAL A 116 15.961 -1.853 20.988 1.00 0.10 H new ATOM 0 HG22 VAL A 116 15.543 -3.408 21.746 1.00 0.10 H new ATOM 0 HG23 VAL A 116 17.178 -3.147 21.093 1.00 0.10 H new ATOM 1783 N LEU A 117 15.610 -6.382 17.590 1.00 0.20 N ATOM 1784 CA LEU A 117 15.929 -6.813 16.202 1.00 0.15 C ATOM 1785 C LEU A 117 15.718 -5.642 15.232 1.00 0.15 C ATOM 1786 O LEU A 117 16.488 -5.448 14.312 1.00 0.19 O ATOM 1787 CB LEU A 117 15.012 -7.970 15.798 1.00 0.09 C ATOM 1788 CG LEU A 117 15.554 -9.282 16.366 1.00 0.13 C ATOM 1789 CD1 LEU A 117 14.517 -10.388 16.156 1.00 0.16 C ATOM 1790 CD2 LEU A 117 16.852 -9.659 15.643 1.00 0.23 C ATOM 0 H LEU A 117 14.875 -6.915 18.054 1.00 0.20 H new ATOM 0 HA LEU A 117 16.969 -7.137 16.162 1.00 0.15 H new ATOM 0 HB2 LEU A 117 14.002 -7.792 16.168 1.00 0.09 H new ATOM 0 HB3 LEU A 117 14.947 -8.033 14.712 1.00 0.09 H new ATOM 0 HG LEU A 117 15.755 -9.162 17.431 1.00 0.13 H new ATOM 0 HD11 LEU A 117 14.899 -11.326 16.559 1.00 0.16 H new ATOM 0 HD12 LEU A 117 13.593 -10.122 16.669 1.00 0.16 H new ATOM 0 HD13 LEU A 117 14.320 -10.505 15.090 1.00 0.16 H new ATOM 0 HD21 LEU A 117 17.236 -10.594 16.050 1.00 0.23 H new ATOM 0 HD22 LEU A 117 16.653 -9.781 14.578 1.00 0.23 H new ATOM 0 HD23 LEU A 117 17.591 -8.870 15.786 1.00 0.23 H new ATOM 1802 N ALA A 118 14.683 -4.862 15.421 1.00 0.13 N ATOM 1803 CA ALA A 118 14.443 -3.718 14.495 1.00 0.13 C ATOM 1804 C ALA A 118 13.632 -2.640 15.216 1.00 0.15 C ATOM 1805 O ALA A 118 13.545 -2.624 16.427 1.00 0.16 O ATOM 1806 CB ALA A 118 13.669 -4.211 13.272 1.00 0.08 C ATOM 0 H ALA A 118 14.000 -4.968 16.171 1.00 0.13 H new ATOM 0 HA ALA A 118 15.397 -3.299 14.176 1.00 0.13 H new ATOM 0 HB1 ALA A 118 13.492 -3.377 12.593 1.00 0.08 H new ATOM 0 HB2 ALA A 118 14.249 -4.979 12.760 1.00 0.08 H new ATOM 0 HB3 ALA A 118 12.714 -4.629 13.590 1.00 0.08 H new ATOM 1812 N CYS A 119 13.035 -1.736 14.486 1.00 0.18 N ATOM 1813 CA CYS A 119 12.240 -0.666 15.147 1.00 0.22 C ATOM 1814 C CYS A 119 11.667 0.281 14.080 1.00 0.15 C ATOM 1815 O CYS A 119 12.210 0.409 13.000 1.00 0.10 O ATOM 1816 CB CYS A 119 13.153 0.111 16.099 1.00 0.27 C ATOM 1817 SG CYS A 119 12.203 1.402 16.937 1.00 0.32 S ATOM 0 H CYS A 119 13.064 -1.694 13.467 1.00 0.18 H new ATOM 0 HA CYS A 119 11.416 -1.106 15.709 1.00 0.22 H new ATOM 0 HB2 CYS A 119 13.590 -0.566 16.833 1.00 0.27 H new ATOM 0 HB3 CYS A 119 13.979 0.556 15.544 1.00 0.27 H new ATOM 1822 N ALA A 120 10.576 0.947 14.371 1.00 0.21 N ATOM 1823 CA ALA A 120 9.981 1.879 13.371 1.00 0.18 C ATOM 1824 C ALA A 120 9.216 2.988 14.092 1.00 0.23 C ATOM 1825 O ALA A 120 8.708 2.801 15.180 1.00 0.19 O ATOM 1826 CB ALA A 120 9.014 1.130 12.459 1.00 0.28 C ATOM 0 H ALA A 120 10.075 0.884 15.257 1.00 0.21 H new ATOM 0 HA ALA A 120 10.787 2.307 12.774 1.00 0.18 H new ATOM 0 HB1 ALA A 120 8.587 1.823 11.734 1.00 0.28 H new ATOM 0 HB2 ALA A 120 9.548 0.339 11.934 1.00 0.28 H new ATOM 0 HB3 ALA A 120 8.215 0.693 13.057 1.00 0.28 H new ATOM 1832 N ILE A 121 9.111 4.136 13.487 1.00 0.34 N ATOM 1833 CA ILE A 121 8.363 5.253 14.128 1.00 0.41 C ATOM 1834 C ILE A 121 7.453 5.909 13.086 1.00 0.48 C ATOM 1835 O ILE A 121 7.828 6.090 11.950 1.00 0.85 O ATOM 1836 CB ILE A 121 9.355 6.286 14.666 1.00 0.52 C ATOM 1837 CG1 ILE A 121 10.008 5.748 15.940 1.00 0.50 C ATOM 1838 CG2 ILE A 121 8.621 7.590 14.982 1.00 0.55 C ATOM 1839 CD1 ILE A 121 11.202 6.628 16.306 1.00 0.68 C ATOM 0 H ILE A 121 9.512 4.351 12.574 1.00 0.34 H new ATOM 0 HA ILE A 121 7.760 4.870 14.951 1.00 0.41 H new ATOM 0 HB ILE A 121 10.121 6.476 13.914 1.00 0.52 H new ATOM 0 HG12 ILE A 121 9.286 5.738 16.756 1.00 0.50 H new ATOM 0 HG13 ILE A 121 10.333 4.719 15.789 1.00 0.50 H new ATOM 0 HG21 ILE A 121 9.331 8.323 15.365 1.00 0.55 H new ATOM 0 HG22 ILE A 121 8.156 7.975 14.074 1.00 0.55 H new ATOM 0 HG23 ILE A 121 7.853 7.403 15.732 1.00 0.55 H new ATOM 0 HD11 ILE A 121 11.670 6.247 17.214 1.00 0.68 H new ATOM 0 HD12 ILE A 121 11.926 6.615 15.492 1.00 0.68 H new ATOM 0 HD13 ILE A 121 10.863 7.650 16.474 1.00 0.68 H new ATOM 1851 N ALA A 122 6.262 6.277 13.453 1.00 0.36 N ATOM 1852 CA ALA A 122 5.367 6.931 12.459 1.00 0.35 C ATOM 1853 C ALA A 122 5.344 8.433 12.739 1.00 0.46 C ATOM 1854 O ALA A 122 4.972 8.870 13.810 1.00 0.73 O ATOM 1855 CB ALA A 122 3.951 6.358 12.575 1.00 0.45 C ATOM 0 H ALA A 122 5.870 6.156 14.387 1.00 0.36 H new ATOM 0 HA ALA A 122 5.735 6.746 11.450 1.00 0.35 H new ATOM 0 HB1 ALA A 122 3.302 6.841 11.845 1.00 0.45 H new ATOM 0 HB2 ALA A 122 3.976 5.285 12.384 1.00 0.45 H new ATOM 0 HB3 ALA A 122 3.566 6.539 13.579 1.00 0.45 H new ATOM 1861 N THR A 123 5.760 9.224 11.792 1.00 0.60 N ATOM 1862 CA THR A 123 5.788 10.699 12.007 1.00 0.94 C ATOM 1863 C THR A 123 4.365 11.260 12.060 1.00 0.87 C ATOM 1864 O THR A 123 4.096 12.213 12.763 1.00 1.95 O ATOM 1865 CB THR A 123 6.556 11.362 10.861 1.00 1.13 C ATOM 1866 OG1 THR A 123 5.965 10.991 9.623 1.00 1.09 O ATOM 1867 CG2 THR A 123 8.016 10.904 10.891 1.00 2.11 C ATOM 0 H THR A 123 6.083 8.914 10.876 1.00 0.60 H new ATOM 0 HA THR A 123 6.282 10.909 12.956 1.00 0.94 H new ATOM 0 HB THR A 123 6.516 12.445 10.973 1.00 1.13 H new ATOM 0 HG1 THR A 123 6.454 11.415 8.887 1.00 1.09 H new ATOM 0 HG21 THR A 123 8.562 11.376 10.075 1.00 2.11 H new ATOM 0 HG22 THR A 123 8.467 11.188 11.842 1.00 2.11 H new ATOM 0 HG23 THR A 123 8.060 9.821 10.778 1.00 2.11 H new ATOM 1875 N HIS A 124 3.452 10.692 11.322 1.00 0.73 N ATOM 1876 CA HIS A 124 2.059 11.222 11.342 1.00 0.63 C ATOM 1877 C HIS A 124 1.087 10.129 11.791 1.00 0.58 C ATOM 1878 O HIS A 124 1.348 8.951 11.646 1.00 0.92 O ATOM 1879 CB HIS A 124 1.676 11.702 9.942 1.00 0.46 C ATOM 1880 CG HIS A 124 1.845 13.195 9.860 1.00 0.64 C ATOM 1881 ND1 HIS A 124 2.887 13.785 9.162 1.00 1.26 N ATOM 1882 CD2 HIS A 124 1.113 14.232 10.387 1.00 0.44 C ATOM 1883 CE1 HIS A 124 2.757 15.118 9.288 1.00 1.35 C ATOM 1884 NE2 HIS A 124 1.691 15.444 10.025 1.00 0.80 N ATOM 0 H HIS A 124 3.607 9.890 10.711 1.00 0.73 H new ATOM 0 HA HIS A 124 2.005 12.055 12.043 1.00 0.63 H new ATOM 0 HB2 HIS A 124 2.301 11.213 9.195 1.00 0.46 H new ATOM 0 HB3 HIS A 124 0.644 11.429 9.722 1.00 0.46 H new ATOM 0 HD2 HIS A 124 0.224 14.122 10.990 1.00 0.44 H new ATOM 0 HE1 HIS A 124 3.432 15.837 8.847 1.00 1.35 H new ATOM 0 HE2 HIS A 124 1.370 16.381 10.270 1.00 0.80 H new ATOM 1892 N GLY A 125 -0.034 10.516 12.337 1.00 0.52 N ATOM 1893 CA GLY A 125 -1.032 9.510 12.799 1.00 0.55 C ATOM 1894 C GLY A 125 -2.068 10.193 13.694 1.00 0.43 C ATOM 1895 O GLY A 125 -1.809 11.217 14.290 1.00 0.42 O ATOM 0 H GLY A 125 -0.302 11.489 12.483 1.00 0.52 H new ATOM 0 HA2 GLY A 125 -1.523 9.049 11.942 1.00 0.55 H new ATOM 0 HA3 GLY A 125 -0.532 8.711 13.347 1.00 0.55 H new ATOM 1899 N LYS A 126 -3.244 9.637 13.787 1.00 0.38 N ATOM 1900 CA LYS A 126 -4.297 10.246 14.651 1.00 0.31 C ATOM 1901 C LYS A 126 -5.277 9.145 15.076 1.00 0.29 C ATOM 1902 O LYS A 126 -5.649 8.310 14.276 1.00 0.31 O ATOM 1903 CB LYS A 126 -5.036 11.327 13.863 1.00 0.27 C ATOM 1904 CG LYS A 126 -4.032 12.390 13.413 1.00 0.34 C ATOM 1905 CD LYS A 126 -4.780 13.629 12.916 1.00 0.50 C ATOM 1906 CE LYS A 126 -3.784 14.605 12.287 1.00 0.92 C ATOM 1907 NZ LYS A 126 -4.063 15.983 12.782 1.00 1.81 N ATOM 0 H LYS A 126 -3.523 8.785 13.301 1.00 0.38 H new ATOM 0 HA LYS A 126 -3.847 10.698 15.535 1.00 0.31 H new ATOM 0 HB2 LYS A 126 -5.533 10.889 12.998 1.00 0.27 H new ATOM 0 HB3 LYS A 126 -5.812 11.779 14.481 1.00 0.27 H new ATOM 0 HG2 LYS A 126 -3.376 12.658 14.241 1.00 0.34 H new ATOM 0 HG3 LYS A 126 -3.399 11.993 12.620 1.00 0.34 H new ATOM 0 HD2 LYS A 126 -5.536 13.342 12.185 1.00 0.50 H new ATOM 0 HD3 LYS A 126 -5.303 14.108 13.744 1.00 0.50 H new ATOM 0 HE2 LYS A 126 -2.764 14.315 12.540 1.00 0.92 H new ATOM 0 HE3 LYS A 126 -3.864 14.574 11.200 1.00 0.92 H new ATOM 0 HZ1 LYS A 126 -3.387 16.649 12.356 1.00 1.81 H new ATOM 0 HZ2 LYS A 126 -5.031 16.257 12.519 1.00 1.81 H new ATOM 0 HZ3 LYS A 126 -3.966 16.006 13.817 1.00 1.81 H new ATOM 1921 N ILE A 127 -5.708 9.120 16.311 1.00 0.30 N ATOM 1922 CA ILE A 127 -6.664 8.053 16.722 1.00 0.29 C ATOM 1923 C ILE A 127 -8.070 8.635 16.834 1.00 0.23 C ATOM 1924 O ILE A 127 -8.263 9.742 17.297 1.00 0.23 O ATOM 1925 CB ILE A 127 -6.253 7.463 18.068 1.00 0.32 C ATOM 1926 CG1 ILE A 127 -5.000 6.612 17.880 1.00 0.43 C ATOM 1927 CG2 ILE A 127 -7.385 6.575 18.580 1.00 0.29 C ATOM 1928 CD1 ILE A 127 -4.482 6.154 19.242 1.00 0.44 C ATOM 0 H ILE A 127 -5.444 9.781 17.041 1.00 0.30 H new ATOM 0 HA ILE A 127 -6.652 7.265 15.969 1.00 0.29 H new ATOM 0 HB ILE A 127 -6.051 8.263 18.780 1.00 0.32 H new ATOM 0 HG12 ILE A 127 -5.226 5.747 17.256 1.00 0.43 H new ATOM 0 HG13 ILE A 127 -4.232 7.187 17.362 1.00 0.43 H new ATOM 0 HG21 ILE A 127 -7.104 6.146 19.542 1.00 0.29 H new ATOM 0 HG22 ILE A 127 -8.290 7.171 18.698 1.00 0.29 H new ATOM 0 HG23 ILE A 127 -7.570 5.773 17.866 1.00 0.29 H new ATOM 0 HD11 ILE A 127 -3.587 5.547 19.106 1.00 0.44 H new ATOM 0 HD12 ILE A 127 -4.240 7.025 19.851 1.00 0.44 H new ATOM 0 HD13 ILE A 127 -5.249 5.563 19.743 1.00 0.44 H new ATOM 1940 N ARG A 128 -9.054 7.894 16.411 1.00 0.21 N ATOM 1941 CA ARG A 128 -10.455 8.397 16.489 1.00 0.18 C ATOM 1942 C ARG A 128 -11.322 7.400 17.260 1.00 0.32 C ATOM 1943 O ARG A 128 -11.037 6.219 17.308 1.00 0.38 O ATOM 1944 CB ARG A 128 -11.017 8.568 15.079 1.00 0.25 C ATOM 1945 CG ARG A 128 -10.512 9.885 14.485 1.00 0.23 C ATOM 1946 CD ARG A 128 -11.551 10.440 13.508 1.00 0.21 C ATOM 1947 NE ARG A 128 -12.499 9.358 13.121 1.00 2.84 N ATOM 1948 CZ ARG A 128 -13.780 9.601 13.074 1.00 3.64 C ATOM 1949 NH1 ARG A 128 -14.466 9.710 14.179 1.00 5.07 N ATOM 1950 NH2 ARG A 128 -14.376 9.744 11.923 1.00 3.09 N ATOM 0 H ARG A 128 -8.950 6.960 16.014 1.00 0.21 H new ATOM 0 HA ARG A 128 -10.461 9.357 17.005 1.00 0.18 H new ATOM 0 HB2 ARG A 128 -10.711 7.732 14.450 1.00 0.25 H new ATOM 0 HB3 ARG A 128 -12.107 8.563 15.107 1.00 0.25 H new ATOM 0 HG2 ARG A 128 -10.325 10.606 15.281 1.00 0.23 H new ATOM 0 HG3 ARG A 128 -9.564 9.724 13.971 1.00 0.23 H new ATOM 0 HD2 ARG A 128 -12.094 11.266 13.968 1.00 0.21 H new ATOM 0 HD3 ARG A 128 -11.056 10.838 12.622 1.00 0.21 H new ATOM 0 HE ARG A 128 -12.147 8.428 12.893 1.00 2.84 H new ATOM 0 HH11 ARG A 128 -14.001 9.605 15.081 1.00 5.07 H new ATOM 0 HH12 ARG A 128 -15.467 9.900 14.141 1.00 5.07 H new ATOM 0 HH21 ARG A 128 -13.841 9.666 11.058 1.00 3.09 H new ATOM 0 HH22 ARG A 128 -15.378 9.934 11.887 1.00 3.09 H new ATOM 1964 N ASP A 129 -12.381 7.867 17.861 1.00 0.77 N ATOM 1965 CA ASP A 129 -13.271 6.954 18.629 1.00 0.96 C ATOM 1966 C ASP A 129 -14.283 6.308 17.681 1.00 1.13 C ATOM 1967 O ASP A 129 -13.916 6.037 16.550 1.00 1.01 O ATOM 1968 CB ASP A 129 -14.014 7.754 19.699 1.00 1.13 C ATOM 1969 CG ASP A 129 -14.907 8.799 19.026 1.00 2.75 C ATOM 1970 OD1 ASP A 129 -15.871 8.407 18.390 1.00 2.51 O ATOM 1971 OD2 ASP A 129 -14.608 9.975 19.155 1.00 4.68 O ATOM 1972 OXT ASP A 129 -15.407 6.091 18.104 1.00 1.80 O ATOM 0 H ASP A 129 -12.669 8.846 17.853 1.00 0.77 H new ATOM 0 HA ASP A 129 -12.673 6.176 19.103 1.00 0.96 H new ATOM 0 HB2 ASP A 129 -14.617 7.086 20.314 1.00 1.13 H new ATOM 0 HB3 ASP A 129 -13.301 8.243 20.363 1.00 1.13 H new TER 1977 ASP A 129