USER MOD reduce.3.24.130724 H: found=0, std=0, add=1220, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1220 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 NoAdj : A 97 ASNHD21 : A 97 ASN OD1 : A 203 CACA :(metal ligand) USER MOD NoAdj : A 97 ASNHD22 : A 97 ASN OD1 : A 203 CACA :(metal ligand) USER MOD Set 1.1: A 99 TYR OH : rot 165:sc= 0 USER MOD Set 1.2: A 137 ASN : amide:sc= -1.2 K(o=-1.2,f=-13!) USER MOD Set 2.1: A 81 SER OG : rot -90:sc= 1.85 USER MOD Set 2.2: A 145 MET CE :methyl -156:sc= -0.371 (180deg=-1.19) USER MOD Set 2.3: A 146 THR OG1 : rot -53:sc= 0.539 USER MOD Set 3.1: A 75 LYS NZ :NH3+ -158:sc= -0.548 (180deg=-0.753) USER MOD Set 3.2: B 8 THR OG1 : rot 155:sc= -0.59 USER MOD Set 4.1: A 72 MET CE :methyl -159:sc= -0.138 (180deg=-0.752) USER MOD Set 4.2: A 76 MET CE :methyl -145:sc= -0.352 (180deg=-1.43) USER MOD Set 5.1: A 60 ASN : amide:sc= -0.361 K(o=-0.052,f=-2!) USER MOD Set 5.2: A 62 THR OG1 : rot -170:sc= 0.31 USER MOD Set 6.1: A 29 THR OG1 : rot -137:sc= 0.0602 USER MOD Set 6.2: A 49 GLN : amide:sc= -0.525 K(o=-0.46,f=-3.8!) USER MOD Set 7.1: A 5 THR OG1 : rot 131:sc= 1.44 USER MOD Set 7.2: A 8 GLN : amide:sc= 2.19 K(o=3.6,f=0.35) USER MOD Single : A 13 LYS NZ :NH3+ -110:sc= 1.24 (180deg=0.517) USER MOD Single : A 17 SER OG : rot 65:sc= 1.18 USER MOD Single : A 21 LYS NZ :NH3+ -115:sc= 1.97 (180deg=-0.652) USER MOD Single : A 26 THR OG1 : rot 100:sc= 1.22 USER MOD Single : A 28 THR OG1 : rot -59:sc= 1.06 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 76:sc= 1.07 USER MOD Single : A 36 MET CE :methyl -127:sc= -0.597 (180deg=-2.23!) USER MOD Single : A 38 SER OG : rot 180:sc= 0.824 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot -77:sc= 1.22 USER MOD Single : A 51 MET CE :methyl -155:sc= 0 (180deg=-0.487) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0639 USER MOD Single : A 71 MET CE :methyl 148:sc= -0.218 (180deg=-0.821) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -157:sc= -0.07 (180deg=-0.459) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= 0.0763 X(o=0.076,f=-0.33) USER MOD Single : A 109 MET CE :methyl -145:sc= -0.695 (180deg=-1.57) USER MOD Single : A 110 THR OG1 : rot 77:sc= 1.24 USER MOD Single : A 111 ASN : amide:sc= -0.623 K(o=-0.62,f=-5.8!) USER MOD Single : A 115 LYS NZ :NH3+ 151:sc= 1.15 (180deg=0.978) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.457 USER MOD Single : A 124 MET CE :methyl 168:sc= -2.09 (180deg=-2.97) USER MOD Single : A 135 GLN : amide:sc= -0.605! K(o=-0.6!,f=-0.1) USER MOD Single : A 138 TYR OH : rot 150:sc= 0.143 USER MOD Single : A 143 GLN : amide:sc= -0.0609 K(o=-0.061,f=-1.3!) USER MOD Single : A 144 MET CE :methyl -134:sc= -3.03 (180deg=-3.63) USER MOD Single : B 1 MET CE :methyl -115:sc= -0.658 (180deg=-1.37) USER MOD Single : B 1 MET N :NH3+ 154:sc= 1.02 (180deg=-0.922!) USER MOD Single : B 3 CYS SG : rot -44:sc= -2.85! USER MOD Single : B 5 CYS SG : rot -56:sc= -4.34! USER MOD Single : B 9 THR OG1 : rot 62:sc= 1.29 USER MOD Single : B 10 LYS NZ :NH3+ -139:sc= -0.182 (180deg=-1.71) USER MOD Single : B 11 LYS NZ :NH3+ 156:sc= 1.29 (180deg=1.01) USER MOD Single : B 12 TYR OH : rot -122:sc= 0.0505 USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD Single : B 15 GLN : amide:sc= -0.0137 K(o=-0.014,f=-0.9) USER MOD Single : B 19 THR OG1 : rot -76:sc= 1.31 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 4 -0.697 19.114 5.205 1.00 1.45 N ATOM 2 CA LEU A 4 -0.318 18.131 4.173 1.00 1.33 C ATOM 3 C LEU A 4 0.455 18.799 3.041 1.00 1.19 C ATOM 4 O LEU A 4 0.089 19.878 2.569 1.00 1.15 O ATOM 5 CB LEU A 4 -1.567 17.430 3.635 1.00 1.31 C ATOM 6 CG LEU A 4 -1.313 16.314 2.627 1.00 1.33 C ATOM 7 CD1 LEU A 4 -0.249 15.359 3.147 1.00 1.71 C ATOM 8 CD2 LEU A 4 -2.610 15.574 2.336 1.00 1.33 C ATOM 0 HA LEU A 4 0.335 17.386 4.627 1.00 1.33 H new ATOM 0 HB2 LEU A 4 -2.120 17.015 4.477 1.00 1.31 H new ATOM 0 HB3 LEU A 4 -2.209 18.177 3.169 1.00 1.31 H new ATOM 0 HG LEU A 4 -0.947 16.752 1.698 1.00 1.33 H new ATOM 0 HD11 LEU A 4 -0.080 14.569 2.415 1.00 1.71 H new ATOM 0 HD12 LEU A 4 0.680 15.905 3.313 1.00 1.71 H new ATOM 0 HD13 LEU A 4 -0.583 14.918 4.086 1.00 1.71 H new ATOM 0 HD21 LEU A 4 -2.421 14.778 1.615 1.00 1.33 H new ATOM 0 HD22 LEU A 4 -2.998 15.143 3.259 1.00 1.33 H new ATOM 0 HD23 LEU A 4 -3.341 16.270 1.925 1.00 1.33 H new ATOM 20 N THR A 5 1.530 18.140 2.621 1.00 1.17 N ATOM 21 CA THR A 5 2.384 18.625 1.553 1.00 1.07 C ATOM 22 C THR A 5 1.638 18.720 0.225 1.00 0.97 C ATOM 23 O THR A 5 0.917 17.795 -0.163 1.00 0.96 O ATOM 24 CB THR A 5 3.597 17.692 1.386 1.00 1.11 C ATOM 25 OG1 THR A 5 3.317 16.432 2.017 1.00 1.25 O ATOM 26 CG2 THR A 5 4.850 18.299 1.996 1.00 1.21 C ATOM 0 H THR A 5 1.831 17.250 3.017 1.00 1.17 H new ATOM 0 HA THR A 5 2.714 19.626 1.830 1.00 1.07 H new ATOM 0 HB THR A 5 3.775 17.548 0.320 1.00 1.11 H new ATOM 0 HG1 THR A 5 3.526 15.702 1.397 1.00 1.25 H new ATOM 0 HG21 THR A 5 5.688 17.615 1.861 1.00 1.21 H new ATOM 0 HG22 THR A 5 5.072 19.246 1.505 1.00 1.21 H new ATOM 0 HG23 THR A 5 4.690 18.471 3.060 1.00 1.21 H new ATOM 34 N GLU A 6 1.820 19.843 -0.460 1.00 0.93 N ATOM 35 CA GLU A 6 1.186 20.092 -1.748 1.00 0.88 C ATOM 36 C GLU A 6 1.596 19.039 -2.762 1.00 0.84 C ATOM 37 O GLU A 6 0.810 18.661 -3.630 1.00 0.82 O ATOM 38 CB GLU A 6 1.579 21.472 -2.259 1.00 0.92 C ATOM 39 CG GLU A 6 1.148 22.589 -1.330 1.00 1.07 C ATOM 40 CD GLU A 6 1.764 23.922 -1.692 1.00 1.44 C ATOM 41 OE1 GLU A 6 2.701 23.950 -2.507 1.00 1.97 O ATOM 42 OE2 GLU A 6 1.319 24.950 -1.147 1.00 1.91 O ATOM 0 H GLU A 6 2.413 20.608 -0.137 1.00 0.93 H new ATOM 0 HA GLU A 6 0.105 20.045 -1.614 1.00 0.88 H new ATOM 0 HB2 GLU A 6 2.660 21.511 -2.389 1.00 0.92 H new ATOM 0 HB3 GLU A 6 1.134 21.631 -3.241 1.00 0.92 H new ATOM 0 HG2 GLU A 6 0.062 22.677 -1.354 1.00 1.07 H new ATOM 0 HG3 GLU A 6 1.424 22.332 -0.307 1.00 1.07 H new ATOM 49 N GLU A 7 2.831 18.573 -2.640 1.00 0.86 N ATOM 50 CA GLU A 7 3.351 17.555 -3.535 1.00 0.85 C ATOM 51 C GLU A 7 2.509 16.300 -3.405 1.00 0.84 C ATOM 52 O GLU A 7 2.095 15.715 -4.400 1.00 0.82 O ATOM 53 CB GLU A 7 4.818 17.259 -3.211 1.00 0.90 C ATOM 54 CG GLU A 7 5.677 18.512 -3.099 1.00 1.18 C ATOM 55 CD GLU A 7 5.836 18.991 -1.667 1.00 1.58 C ATOM 56 OE1 GLU A 7 4.821 19.402 -1.058 1.00 1.76 O ATOM 57 OE2 GLU A 7 6.973 18.977 -1.154 1.00 1.98 O ATOM 0 H GLU A 7 3.491 18.886 -1.928 1.00 0.86 H new ATOM 0 HA GLU A 7 3.301 17.914 -4.563 1.00 0.85 H new ATOM 0 HB2 GLU A 7 4.871 16.706 -2.273 1.00 0.90 H new ATOM 0 HB3 GLU A 7 5.230 16.613 -3.986 1.00 0.90 H new ATOM 0 HG2 GLU A 7 6.662 18.311 -3.521 1.00 1.18 H new ATOM 0 HG3 GLU A 7 5.231 19.307 -3.696 1.00 1.18 H new ATOM 64 N GLN A 8 2.228 15.916 -2.163 1.00 0.87 N ATOM 65 CA GLN A 8 1.408 14.745 -1.900 1.00 0.89 C ATOM 66 C GLN A 8 0.006 14.964 -2.475 1.00 0.83 C ATOM 67 O GLN A 8 -0.547 14.080 -3.126 1.00 0.81 O ATOM 68 CB GLN A 8 1.342 14.447 -0.397 1.00 0.99 C ATOM 69 CG GLN A 8 2.365 13.415 0.076 1.00 1.24 C ATOM 70 CD GLN A 8 3.799 13.815 -0.232 1.00 1.43 C ATOM 71 OE1 GLN A 8 4.457 14.473 0.574 1.00 1.54 O ATOM 72 NE2 GLN A 8 4.298 13.413 -1.390 1.00 1.62 N ATOM 0 H GLN A 8 2.557 16.399 -1.327 1.00 0.87 H new ATOM 0 HA GLN A 8 1.860 13.880 -2.385 1.00 0.89 H new ATOM 0 HB2 GLN A 8 1.495 15.375 0.154 1.00 0.99 H new ATOM 0 HB3 GLN A 8 0.341 14.091 -0.151 1.00 0.99 H new ATOM 0 HG2 GLN A 8 2.257 13.271 1.151 1.00 1.24 H new ATOM 0 HG3 GLN A 8 2.151 12.457 -0.397 1.00 1.24 H new ATOM 0 HE21 GLN A 8 3.722 12.869 -2.032 1.00 1.62 H new ATOM 0 HE22 GLN A 8 5.259 13.647 -1.640 1.00 1.62 H new ATOM 81 N ILE A 9 -0.572 16.139 -2.207 1.00 0.84 N ATOM 82 CA ILE A 9 -1.897 16.490 -2.732 1.00 0.83 C ATOM 83 C ILE A 9 -1.967 16.282 -4.247 1.00 0.77 C ATOM 84 O ILE A 9 -2.932 15.709 -4.761 1.00 0.78 O ATOM 85 CB ILE A 9 -2.272 17.958 -2.401 1.00 0.87 C ATOM 86 CG1 ILE A 9 -2.512 18.130 -0.897 1.00 0.92 C ATOM 87 CG2 ILE A 9 -3.503 18.398 -3.189 1.00 0.92 C ATOM 88 CD1 ILE A 9 -3.762 17.435 -0.390 1.00 1.13 C ATOM 0 H ILE A 9 -0.144 16.863 -1.630 1.00 0.84 H new ATOM 0 HA ILE A 9 -2.612 15.826 -2.246 1.00 0.83 H new ATOM 0 HB ILE A 9 -1.435 18.592 -2.693 1.00 0.87 H new ATOM 0 HG12 ILE A 9 -1.649 17.744 -0.355 1.00 0.92 H new ATOM 0 HG13 ILE A 9 -2.582 19.194 -0.670 1.00 0.92 H new ATOM 0 HG21 ILE A 9 -3.745 19.431 -2.939 1.00 0.92 H new ATOM 0 HG22 ILE A 9 -3.298 18.322 -4.257 1.00 0.92 H new ATOM 0 HG23 ILE A 9 -4.346 17.756 -2.935 1.00 0.92 H new ATOM 0 HD11 ILE A 9 -3.862 17.603 0.682 1.00 1.13 H new ATOM 0 HD12 ILE A 9 -4.635 17.837 -0.904 1.00 1.13 H new ATOM 0 HD13 ILE A 9 -3.687 16.365 -0.584 1.00 1.13 H new ATOM 100 N ALA A 10 -0.934 16.731 -4.951 1.00 0.74 N ATOM 101 CA ALA A 10 -0.873 16.590 -6.398 1.00 0.71 C ATOM 102 C ALA A 10 -0.742 15.122 -6.791 1.00 0.68 C ATOM 103 O ALA A 10 -1.196 14.713 -7.861 1.00 0.70 O ATOM 104 CB ALA A 10 0.281 17.401 -6.959 1.00 0.74 C ATOM 0 H ALA A 10 -0.125 17.197 -4.540 1.00 0.74 H new ATOM 0 HA ALA A 10 -1.802 16.972 -6.822 1.00 0.71 H new ATOM 0 HB1 ALA A 10 0.314 17.286 -8.042 1.00 0.74 H new ATOM 0 HB2 ALA A 10 0.141 18.453 -6.710 1.00 0.74 H new ATOM 0 HB3 ALA A 10 1.218 17.048 -6.528 1.00 0.74 H new ATOM 110 N GLU A 11 -0.117 14.333 -5.923 1.00 0.68 N ATOM 111 CA GLU A 11 0.049 12.910 -6.177 1.00 0.69 C ATOM 112 C GLU A 11 -1.278 12.192 -5.993 1.00 0.65 C ATOM 113 O GLU A 11 -1.674 11.378 -6.824 1.00 0.62 O ATOM 114 CB GLU A 11 1.092 12.293 -5.249 1.00 0.75 C ATOM 115 CG GLU A 11 2.473 12.901 -5.382 1.00 0.96 C ATOM 116 CD GLU A 11 3.479 12.241 -4.467 1.00 1.07 C ATOM 117 OE1 GLU A 11 3.125 11.921 -3.315 1.00 1.21 O ATOM 118 OE2 GLU A 11 4.624 12.007 -4.907 1.00 1.57 O ATOM 0 H GLU A 11 0.281 14.655 -5.041 1.00 0.68 H new ATOM 0 HA GLU A 11 0.394 12.795 -7.204 1.00 0.69 H new ATOM 0 HB2 GLU A 11 0.756 12.403 -4.218 1.00 0.75 H new ATOM 0 HB3 GLU A 11 1.156 11.224 -5.451 1.00 0.75 H new ATOM 0 HG2 GLU A 11 2.810 12.811 -6.415 1.00 0.96 H new ATOM 0 HG3 GLU A 11 2.422 13.966 -5.155 1.00 0.96 H new ATOM 125 N PHE A 12 -1.958 12.479 -4.885 1.00 0.67 N ATOM 126 CA PHE A 12 -3.257 11.874 -4.603 1.00 0.67 C ATOM 127 C PHE A 12 -4.249 12.228 -5.697 1.00 0.66 C ATOM 128 O PHE A 12 -5.191 11.480 -5.969 1.00 0.64 O ATOM 129 CB PHE A 12 -3.771 12.329 -3.239 1.00 0.73 C ATOM 130 CG PHE A 12 -2.884 11.911 -2.099 1.00 1.01 C ATOM 131 CD1 PHE A 12 -2.371 10.624 -2.032 1.00 1.39 C ATOM 132 CD2 PHE A 12 -2.562 12.806 -1.096 1.00 1.29 C ATOM 133 CE1 PHE A 12 -1.552 10.243 -0.987 1.00 1.80 C ATOM 134 CE2 PHE A 12 -1.745 12.431 -0.048 1.00 1.66 C ATOM 135 CZ PHE A 12 -1.238 11.148 0.007 1.00 1.85 C ATOM 0 H PHE A 12 -1.631 13.127 -4.168 1.00 0.67 H new ATOM 0 HA PHE A 12 -3.142 10.790 -4.580 1.00 0.67 H new ATOM 0 HB2 PHE A 12 -3.865 13.415 -3.238 1.00 0.73 H new ATOM 0 HB3 PHE A 12 -4.770 11.922 -3.081 1.00 0.73 H new ATOM 0 HD1 PHE A 12 -2.615 9.911 -2.806 1.00 1.39 H new ATOM 0 HD2 PHE A 12 -2.955 13.811 -1.133 1.00 1.29 H new ATOM 0 HE1 PHE A 12 -1.158 9.238 -0.948 1.00 1.80 H new ATOM 0 HE2 PHE A 12 -1.503 13.141 0.729 1.00 1.66 H new ATOM 0 HZ PHE A 12 -0.598 10.853 0.825 1.00 1.85 H new ATOM 145 N LYS A 13 -4.031 13.386 -6.316 1.00 0.67 N ATOM 146 CA LYS A 13 -4.858 13.838 -7.414 1.00 0.69 C ATOM 147 C LYS A 13 -4.816 12.791 -8.530 1.00 0.64 C ATOM 148 O LYS A 13 -5.826 12.505 -9.165 1.00 0.64 O ATOM 149 CB LYS A 13 -4.343 15.189 -7.928 1.00 0.75 C ATOM 150 CG LYS A 13 -5.208 15.819 -9.013 1.00 0.91 C ATOM 151 CD LYS A 13 -4.392 16.186 -10.248 1.00 1.14 C ATOM 152 CE LYS A 13 -4.051 14.960 -11.082 1.00 1.25 C ATOM 153 NZ LYS A 13 -3.096 15.270 -12.180 1.00 1.50 N ATOM 0 H LYS A 13 -3.279 14.028 -6.067 1.00 0.67 H new ATOM 0 HA LYS A 13 -5.887 13.966 -7.078 1.00 0.69 H new ATOM 0 HB2 LYS A 13 -4.273 15.881 -7.089 1.00 0.75 H new ATOM 0 HB3 LYS A 13 -3.333 15.056 -8.317 1.00 0.75 H new ATOM 0 HG2 LYS A 13 -6.000 15.125 -9.294 1.00 0.91 H new ATOM 0 HG3 LYS A 13 -5.692 16.713 -8.619 1.00 0.91 H new ATOM 0 HD2 LYS A 13 -4.952 16.896 -10.857 1.00 1.14 H new ATOM 0 HD3 LYS A 13 -3.473 16.685 -9.942 1.00 1.14 H new ATOM 0 HE2 LYS A 13 -3.623 14.193 -10.437 1.00 1.25 H new ATOM 0 HE3 LYS A 13 -4.966 14.546 -11.506 1.00 1.25 H new ATOM 0 HZ1 LYS A 13 -3.587 15.207 -13.095 1.00 1.50 H new ATOM 0 HZ2 LYS A 13 -2.722 16.232 -12.053 1.00 1.50 H new ATOM 0 HZ3 LYS A 13 -2.311 14.588 -12.161 1.00 1.50 H new ATOM 167 N GLU A 14 -3.637 12.206 -8.729 1.00 0.61 N ATOM 168 CA GLU A 14 -3.444 11.182 -9.752 1.00 0.59 C ATOM 169 C GLU A 14 -4.238 9.921 -9.400 1.00 0.53 C ATOM 170 O GLU A 14 -4.935 9.358 -10.243 1.00 0.53 O ATOM 171 CB GLU A 14 -1.952 10.844 -9.880 1.00 0.63 C ATOM 172 CG GLU A 14 -1.078 12.042 -10.227 1.00 0.98 C ATOM 173 CD GLU A 14 -0.910 12.233 -11.714 1.00 1.04 C ATOM 174 OE1 GLU A 14 -0.021 11.578 -12.300 1.00 1.45 O ATOM 175 OE2 GLU A 14 -1.647 13.049 -12.304 1.00 1.64 O ATOM 0 H GLU A 14 -2.798 12.425 -8.192 1.00 0.61 H new ATOM 0 HA GLU A 14 -3.805 11.567 -10.705 1.00 0.59 H new ATOM 0 HB2 GLU A 14 -1.605 10.413 -8.941 1.00 0.63 H new ATOM 0 HB3 GLU A 14 -1.827 10.080 -10.647 1.00 0.63 H new ATOM 0 HG2 GLU A 14 -1.517 12.942 -9.797 1.00 0.98 H new ATOM 0 HG3 GLU A 14 -0.097 11.915 -9.769 1.00 0.98 H new ATOM 182 N ALA A 15 -4.142 9.497 -8.138 1.00 0.51 N ATOM 183 CA ALA A 15 -4.845 8.306 -7.655 1.00 0.47 C ATOM 184 C ALA A 15 -6.352 8.444 -7.842 1.00 0.45 C ATOM 185 O ALA A 15 -7.005 7.559 -8.390 1.00 0.44 O ATOM 186 CB ALA A 15 -4.528 8.058 -6.195 1.00 0.48 C ATOM 0 H ALA A 15 -3.580 9.965 -7.427 1.00 0.51 H new ATOM 0 HA ALA A 15 -4.501 7.455 -8.243 1.00 0.47 H new ATOM 0 HB1 ALA A 15 -5.059 7.169 -5.853 1.00 0.48 H new ATOM 0 HB2 ALA A 15 -3.455 7.908 -6.076 1.00 0.48 H new ATOM 0 HB3 ALA A 15 -4.842 8.918 -5.603 1.00 0.48 H new ATOM 192 N PHE A 16 -6.878 9.552 -7.363 1.00 0.46 N ATOM 193 CA PHE A 16 -8.300 9.844 -7.481 1.00 0.47 C ATOM 194 C PHE A 16 -8.734 9.783 -8.962 1.00 0.48 C ATOM 195 O PHE A 16 -9.832 9.330 -9.269 1.00 0.49 O ATOM 196 CB PHE A 16 -8.581 11.222 -6.887 1.00 0.54 C ATOM 197 CG PHE A 16 -10.039 11.547 -6.765 1.00 0.49 C ATOM 198 CD1 PHE A 16 -10.868 10.799 -5.943 1.00 0.91 C ATOM 199 CD2 PHE A 16 -10.580 12.595 -7.484 1.00 0.78 C ATOM 200 CE1 PHE A 16 -12.211 11.095 -5.844 1.00 1.22 C ATOM 201 CE2 PHE A 16 -11.922 12.896 -7.389 1.00 1.11 C ATOM 202 CZ PHE A 16 -12.737 12.145 -6.569 1.00 1.23 C ATOM 0 H PHE A 16 -6.340 10.274 -6.883 1.00 0.46 H new ATOM 0 HA PHE A 16 -8.875 9.099 -6.931 1.00 0.47 H new ATOM 0 HB2 PHE A 16 -8.122 11.281 -5.900 1.00 0.54 H new ATOM 0 HB3 PHE A 16 -8.101 11.979 -7.508 1.00 0.54 H new ATOM 0 HD1 PHE A 16 -10.458 9.977 -5.375 1.00 0.91 H new ATOM 0 HD2 PHE A 16 -9.945 13.185 -8.128 1.00 0.78 H new ATOM 0 HE1 PHE A 16 -12.849 10.507 -5.201 1.00 1.22 H new ATOM 0 HE2 PHE A 16 -12.334 13.718 -7.956 1.00 1.11 H new ATOM 0 HZ PHE A 16 -13.789 12.379 -6.494 1.00 1.23 H new ATOM 212 N SER A 17 -7.844 10.212 -9.829 1.00 0.52 N ATOM 213 CA SER A 17 -8.110 10.222 -11.277 1.00 0.56 C ATOM 214 C SER A 17 -8.177 8.811 -11.859 1.00 0.49 C ATOM 215 O SER A 17 -8.799 8.594 -12.898 1.00 0.55 O ATOM 216 CB SER A 17 -7.054 11.053 -12.004 1.00 0.64 C ATOM 217 OG SER A 17 -6.980 12.369 -11.472 1.00 0.77 O ATOM 0 H SER A 17 -6.922 10.563 -9.569 1.00 0.52 H new ATOM 0 HA SER A 17 -9.088 10.679 -11.427 1.00 0.56 H new ATOM 0 HB2 SER A 17 -6.082 10.567 -11.917 1.00 0.64 H new ATOM 0 HB3 SER A 17 -7.293 11.100 -13.067 1.00 0.64 H new ATOM 0 HG SER A 17 -6.667 12.330 -10.544 1.00 0.77 H new ATOM 223 N LEU A 18 -7.544 7.841 -11.201 1.00 0.42 N ATOM 224 CA LEU A 18 -7.574 6.480 -11.714 1.00 0.38 C ATOM 225 C LEU A 18 -8.777 5.711 -11.168 1.00 0.36 C ATOM 226 O LEU A 18 -9.361 4.900 -11.887 1.00 0.38 O ATOM 227 CB LEU A 18 -6.254 5.729 -11.448 1.00 0.42 C ATOM 228 CG LEU A 18 -5.983 5.296 -10.006 1.00 0.87 C ATOM 229 CD1 LEU A 18 -6.431 3.857 -9.772 1.00 1.43 C ATOM 230 CD2 LEU A 18 -4.504 5.450 -9.691 1.00 1.02 C ATOM 0 H LEU A 18 -7.019 7.969 -10.336 1.00 0.42 H new ATOM 0 HA LEU A 18 -7.684 6.547 -12.796 1.00 0.38 H new ATOM 0 HB2 LEU A 18 -6.237 4.840 -12.078 1.00 0.42 H new ATOM 0 HB3 LEU A 18 -5.430 6.365 -11.772 1.00 0.42 H new ATOM 0 HG LEU A 18 -6.559 5.937 -9.339 1.00 0.87 H new ATOM 0 HD11 LEU A 18 -6.226 3.576 -8.739 1.00 1.43 H new ATOM 0 HD12 LEU A 18 -7.500 3.773 -9.966 1.00 1.43 H new ATOM 0 HD13 LEU A 18 -5.887 3.193 -10.443 1.00 1.43 H new ATOM 0 HD21 LEU A 18 -4.317 5.140 -8.663 1.00 1.02 H new ATOM 0 HD22 LEU A 18 -3.921 4.827 -10.369 1.00 1.02 H new ATOM 0 HD23 LEU A 18 -4.212 6.493 -9.814 1.00 1.02 H new ATOM 242 N PHE A 19 -9.166 5.961 -9.914 1.00 0.35 N ATOM 243 CA PHE A 19 -10.316 5.274 -9.331 1.00 0.35 C ATOM 244 C PHE A 19 -11.615 5.738 -9.987 1.00 0.35 C ATOM 245 O PHE A 19 -12.522 4.939 -10.210 1.00 0.37 O ATOM 246 CB PHE A 19 -10.400 5.510 -7.813 1.00 0.35 C ATOM 247 CG PHE A 19 -9.497 4.627 -6.993 1.00 0.36 C ATOM 248 CD1 PHE A 19 -9.538 3.249 -7.126 1.00 0.41 C ATOM 249 CD2 PHE A 19 -8.612 5.180 -6.087 1.00 0.41 C ATOM 250 CE1 PHE A 19 -8.709 2.438 -6.373 1.00 0.50 C ATOM 251 CE2 PHE A 19 -7.785 4.378 -5.331 1.00 0.51 C ATOM 252 CZ PHE A 19 -7.826 3.003 -5.474 1.00 0.56 C ATOM 0 H PHE A 19 -8.706 6.626 -9.292 1.00 0.35 H new ATOM 0 HA PHE A 19 -10.180 4.208 -9.513 1.00 0.35 H new ATOM 0 HB2 PHE A 19 -10.154 6.552 -7.606 1.00 0.35 H new ATOM 0 HB3 PHE A 19 -11.430 5.355 -7.490 1.00 0.35 H new ATOM 0 HD1 PHE A 19 -10.227 2.802 -7.827 1.00 0.41 H new ATOM 0 HD2 PHE A 19 -8.568 6.253 -5.970 1.00 0.41 H new ATOM 0 HE1 PHE A 19 -8.752 1.365 -6.488 1.00 0.50 H new ATOM 0 HE2 PHE A 19 -7.102 4.825 -4.624 1.00 0.51 H new ATOM 0 HZ PHE A 19 -7.172 2.375 -4.887 1.00 0.56 H new ATOM 262 N ASP A 20 -11.701 7.030 -10.290 1.00 0.36 N ATOM 263 CA ASP A 20 -12.902 7.579 -10.917 1.00 0.38 C ATOM 264 C ASP A 20 -12.895 7.331 -12.421 1.00 0.44 C ATOM 265 O ASP A 20 -11.891 7.563 -13.095 1.00 0.50 O ATOM 266 CB ASP A 20 -13.031 9.078 -10.644 1.00 0.40 C ATOM 267 CG ASP A 20 -14.428 9.578 -10.933 1.00 0.43 C ATOM 268 OD1 ASP A 20 -14.742 9.815 -12.110 1.00 0.54 O ATOM 269 OD2 ASP A 20 -15.232 9.712 -9.978 1.00 0.42 O ATOM 0 H ASP A 20 -10.963 7.711 -10.114 1.00 0.36 H new ATOM 0 HA ASP A 20 -13.759 7.068 -10.479 1.00 0.38 H new ATOM 0 HB2 ASP A 20 -12.779 9.282 -9.603 1.00 0.40 H new ATOM 0 HB3 ASP A 20 -12.314 9.623 -11.258 1.00 0.40 H new ATOM 274 N LYS A 21 -14.017 6.848 -12.938 1.00 0.45 N ATOM 275 CA LYS A 21 -14.148 6.555 -14.358 1.00 0.52 C ATOM 276 C LYS A 21 -15.456 7.097 -14.925 1.00 0.55 C ATOM 277 O LYS A 21 -15.921 6.644 -15.975 1.00 0.72 O ATOM 278 CB LYS A 21 -14.060 5.045 -14.587 1.00 0.53 C ATOM 279 CG LYS A 21 -12.671 4.494 -14.350 1.00 0.58 C ATOM 280 CD LYS A 21 -11.782 4.761 -15.548 1.00 0.71 C ATOM 281 CE LYS A 21 -10.312 4.763 -15.175 1.00 0.73 C ATOM 282 NZ LYS A 21 -9.941 5.963 -14.381 1.00 0.62 N ATOM 0 H LYS A 21 -14.854 6.650 -12.390 1.00 0.45 H new ATOM 0 HA LYS A 21 -13.330 7.051 -14.881 1.00 0.52 H new ATOM 0 HB2 LYS A 21 -14.764 4.540 -13.925 1.00 0.53 H new ATOM 0 HB3 LYS A 21 -14.366 4.819 -15.609 1.00 0.53 H new ATOM 0 HG2 LYS A 21 -12.239 4.952 -13.460 1.00 0.58 H new ATOM 0 HG3 LYS A 21 -12.726 3.422 -14.162 1.00 0.58 H new ATOM 0 HD2 LYS A 21 -11.962 4.002 -16.309 1.00 0.71 H new ATOM 0 HD3 LYS A 21 -12.046 5.723 -15.988 1.00 0.71 H new ATOM 0 HE2 LYS A 21 -10.082 3.864 -14.603 1.00 0.73 H new ATOM 0 HE3 LYS A 21 -9.708 4.727 -16.082 1.00 0.73 H new ATOM 0 HZ1 LYS A 21 -9.273 6.546 -14.925 1.00 0.62 H new ATOM 0 HZ2 LYS A 21 -10.795 6.518 -14.172 1.00 0.62 H new ATOM 0 HZ3 LYS A 21 -9.495 5.665 -13.490 1.00 0.62 H new ATOM 296 N ASP A 22 -16.042 8.067 -14.238 1.00 0.49 N ATOM 297 CA ASP A 22 -17.299 8.660 -14.689 1.00 0.52 C ATOM 298 C ASP A 22 -17.217 10.186 -14.748 1.00 0.53 C ATOM 299 O ASP A 22 -18.047 10.831 -15.389 1.00 0.57 O ATOM 300 CB ASP A 22 -18.471 8.218 -13.793 1.00 0.51 C ATOM 301 CG ASP A 22 -18.221 8.452 -12.314 1.00 0.47 C ATOM 302 OD1 ASP A 22 -17.470 9.374 -11.958 1.00 0.47 O ATOM 303 OD2 ASP A 22 -18.759 7.698 -11.477 1.00 0.47 O ATOM 0 H ASP A 22 -15.673 8.460 -13.372 1.00 0.49 H new ATOM 0 HA ASP A 22 -17.481 8.298 -15.701 1.00 0.52 H new ATOM 0 HB2 ASP A 22 -19.370 8.757 -14.092 1.00 0.51 H new ATOM 0 HB3 ASP A 22 -18.665 7.158 -13.958 1.00 0.51 H new ATOM 308 N GLY A 23 -16.224 10.760 -14.077 1.00 0.52 N ATOM 309 CA GLY A 23 -16.055 12.199 -14.080 1.00 0.55 C ATOM 310 C GLY A 23 -17.001 12.893 -13.120 1.00 0.54 C ATOM 311 O GLY A 23 -17.268 14.093 -13.254 1.00 0.59 O ATOM 0 H GLY A 23 -15.531 10.250 -13.529 1.00 0.52 H new ATOM 0 HA2 GLY A 23 -15.027 12.442 -13.812 1.00 0.55 H new ATOM 0 HA3 GLY A 23 -16.220 12.580 -15.088 1.00 0.55 H new ATOM 315 N ASP A 24 -17.515 12.145 -12.152 1.00 0.50 N ATOM 316 CA ASP A 24 -18.436 12.700 -11.167 1.00 0.51 C ATOM 317 C ASP A 24 -17.670 13.265 -9.979 1.00 0.51 C ATOM 318 O ASP A 24 -18.058 14.283 -9.406 1.00 0.58 O ATOM 319 CB ASP A 24 -19.453 11.642 -10.718 1.00 0.50 C ATOM 320 CG ASP A 24 -19.111 10.995 -9.388 1.00 0.47 C ATOM 321 OD1 ASP A 24 -18.207 10.124 -9.350 1.00 0.44 O ATOM 322 OD2 ASP A 24 -19.746 11.354 -8.374 1.00 0.57 O ATOM 0 H ASP A 24 -17.310 11.154 -12.027 1.00 0.50 H new ATOM 0 HA ASP A 24 -18.988 13.517 -11.632 1.00 0.51 H new ATOM 0 HB2 ASP A 24 -20.437 12.104 -10.645 1.00 0.50 H new ATOM 0 HB3 ASP A 24 -19.521 10.868 -11.482 1.00 0.50 H new ATOM 327 N GLY A 25 -16.573 12.611 -9.617 1.00 0.47 N ATOM 328 CA GLY A 25 -15.769 13.085 -8.512 1.00 0.50 C ATOM 329 C GLY A 25 -16.019 12.331 -7.223 1.00 0.50 C ATOM 330 O GLY A 25 -15.653 12.799 -6.147 1.00 0.74 O ATOM 0 H GLY A 25 -16.228 11.764 -10.069 1.00 0.47 H new ATOM 0 HA2 GLY A 25 -14.715 13.000 -8.776 1.00 0.50 H new ATOM 0 HA3 GLY A 25 -15.973 14.144 -8.351 1.00 0.50 H new ATOM 334 N THR A 26 -16.656 11.180 -7.322 1.00 0.41 N ATOM 335 CA THR A 26 -16.923 10.356 -6.155 1.00 0.39 C ATOM 336 C THR A 26 -16.548 8.905 -6.447 1.00 0.34 C ATOM 337 O THR A 26 -16.727 8.423 -7.573 1.00 0.37 O ATOM 338 CB THR A 26 -18.410 10.433 -5.739 1.00 0.42 C ATOM 339 OG1 THR A 26 -18.896 11.771 -5.903 1.00 0.47 O ATOM 340 CG2 THR A 26 -18.605 10.000 -4.294 1.00 0.46 C ATOM 0 H THR A 26 -17.000 10.792 -8.200 1.00 0.41 H new ATOM 0 HA THR A 26 -16.318 10.735 -5.331 1.00 0.39 H new ATOM 0 HB THR A 26 -18.971 9.754 -6.381 1.00 0.42 H new ATOM 0 HG1 THR A 26 -19.393 11.838 -6.745 1.00 0.47 H new ATOM 0 HG21 THR A 26 -19.661 10.066 -4.034 1.00 0.46 H new ATOM 0 HG22 THR A 26 -18.265 8.971 -4.173 1.00 0.46 H new ATOM 0 HG23 THR A 26 -18.028 10.652 -3.638 1.00 0.46 H new ATOM 348 N ILE A 27 -16.000 8.223 -5.450 1.00 0.33 N ATOM 349 CA ILE A 27 -15.615 6.830 -5.605 1.00 0.31 C ATOM 350 C ILE A 27 -16.830 5.930 -5.431 1.00 0.32 C ATOM 351 O ILE A 27 -17.519 5.997 -4.411 1.00 0.41 O ATOM 352 CB ILE A 27 -14.540 6.406 -4.578 1.00 0.33 C ATOM 353 CG1 ILE A 27 -13.147 6.861 -4.999 1.00 0.34 C ATOM 354 CG2 ILE A 27 -14.548 4.902 -4.392 1.00 0.37 C ATOM 355 CD1 ILE A 27 -12.463 7.719 -3.964 1.00 0.37 C ATOM 0 H ILE A 27 -15.813 8.613 -4.526 1.00 0.33 H new ATOM 0 HA ILE A 27 -15.199 6.725 -6.607 1.00 0.31 H new ATOM 0 HB ILE A 27 -14.786 6.891 -3.633 1.00 0.33 H new ATOM 0 HG12 ILE A 27 -12.531 5.984 -5.199 1.00 0.34 H new ATOM 0 HG13 ILE A 27 -13.221 7.419 -5.932 1.00 0.34 H new ATOM 0 HG21 ILE A 27 -13.785 4.621 -3.666 1.00 0.37 H new ATOM 0 HG22 ILE A 27 -15.527 4.585 -4.031 1.00 0.37 H new ATOM 0 HG23 ILE A 27 -14.338 4.416 -5.345 1.00 0.37 H new ATOM 0 HD11 ILE A 27 -11.476 8.009 -4.326 1.00 0.37 H new ATOM 0 HD12 ILE A 27 -13.059 8.613 -3.781 1.00 0.37 H new ATOM 0 HD13 ILE A 27 -12.358 7.156 -3.036 1.00 0.37 H new ATOM 367 N THR A 28 -17.100 5.104 -6.420 1.00 0.31 N ATOM 368 CA THR A 28 -18.219 4.186 -6.341 1.00 0.33 C ATOM 369 C THR A 28 -17.720 2.753 -6.215 1.00 0.32 C ATOM 370 O THR A 28 -16.515 2.495 -6.278 1.00 0.33 O ATOM 371 CB THR A 28 -19.133 4.307 -7.572 1.00 0.37 C ATOM 372 OG1 THR A 28 -18.409 3.940 -8.748 1.00 0.39 O ATOM 373 CG2 THR A 28 -19.661 5.727 -7.722 1.00 0.41 C ATOM 0 H THR A 28 -16.563 5.049 -7.285 1.00 0.31 H new ATOM 0 HA THR A 28 -18.798 4.449 -5.456 1.00 0.33 H new ATOM 0 HB THR A 28 -19.981 3.636 -7.436 1.00 0.37 H new ATOM 0 HG1 THR A 28 -17.627 4.523 -8.846 1.00 0.39 H new ATOM 0 HG21 THR A 28 -20.304 5.785 -8.600 1.00 0.41 H new ATOM 0 HG22 THR A 28 -20.233 5.998 -6.834 1.00 0.41 H new ATOM 0 HG23 THR A 28 -18.824 6.416 -7.839 1.00 0.41 H new ATOM 381 N THR A 29 -18.649 1.822 -6.081 1.00 0.32 N ATOM 382 CA THR A 29 -18.314 0.412 -5.950 1.00 0.34 C ATOM 383 C THR A 29 -18.074 -0.202 -7.325 1.00 0.34 C ATOM 384 O THR A 29 -17.235 -1.087 -7.494 1.00 0.38 O ATOM 385 CB THR A 29 -19.457 -0.342 -5.228 1.00 0.38 C ATOM 386 OG1 THR A 29 -20.019 0.505 -4.218 1.00 0.57 O ATOM 387 CG2 THR A 29 -18.970 -1.633 -4.586 1.00 0.60 C ATOM 0 H THR A 29 -19.650 2.018 -6.060 1.00 0.32 H new ATOM 0 HA THR A 29 -17.402 0.323 -5.359 1.00 0.34 H new ATOM 0 HB THR A 29 -20.209 -0.601 -5.973 1.00 0.38 H new ATOM 0 HG1 THR A 29 -20.174 -0.016 -3.403 1.00 0.57 H new ATOM 0 HG21 THR A 29 -19.804 -2.130 -4.090 1.00 0.60 H new ATOM 0 HG22 THR A 29 -18.561 -2.289 -5.354 1.00 0.60 H new ATOM 0 HG23 THR A 29 -18.196 -1.405 -3.853 1.00 0.60 H new ATOM 395 N LYS A 30 -18.800 0.306 -8.321 1.00 0.35 N ATOM 396 CA LYS A 30 -18.683 -0.186 -9.686 1.00 0.39 C ATOM 397 C LYS A 30 -17.340 0.188 -10.307 1.00 0.36 C ATOM 398 O LYS A 30 -16.774 -0.580 -11.087 1.00 0.37 O ATOM 399 CB LYS A 30 -19.820 0.363 -10.550 1.00 0.46 C ATOM 400 CG LYS A 30 -19.953 -0.344 -11.887 1.00 0.74 C ATOM 401 CD LYS A 30 -20.884 0.400 -12.823 1.00 1.11 C ATOM 402 CE LYS A 30 -20.944 -0.280 -14.177 1.00 1.68 C ATOM 403 NZ LYS A 30 -21.921 0.372 -15.088 1.00 2.22 N ATOM 0 H LYS A 30 -19.476 1.060 -8.203 1.00 0.35 H new ATOM 0 HA LYS A 30 -18.748 -1.273 -9.647 1.00 0.39 H new ATOM 0 HB2 LYS A 30 -20.759 0.272 -10.004 1.00 0.46 H new ATOM 0 HB3 LYS A 30 -19.654 1.426 -10.724 1.00 0.46 H new ATOM 0 HG2 LYS A 30 -18.970 -0.437 -12.349 1.00 0.74 H new ATOM 0 HG3 LYS A 30 -20.328 -1.355 -11.729 1.00 0.74 H new ATOM 0 HD2 LYS A 30 -21.883 0.445 -12.389 1.00 1.11 H new ATOM 0 HD3 LYS A 30 -20.542 1.428 -12.942 1.00 1.11 H new ATOM 0 HE2 LYS A 30 -19.955 -0.263 -14.635 1.00 1.68 H new ATOM 0 HE3 LYS A 30 -21.216 -1.327 -14.044 1.00 1.68 H new ATOM 0 HZ1 LYS A 30 -21.929 -0.125 -16.001 1.00 2.22 H new ATOM 0 HZ2 LYS A 30 -22.870 0.333 -14.664 1.00 2.22 H new ATOM 0 HZ3 LYS A 30 -21.648 1.365 -15.236 1.00 2.22 H new ATOM 417 N GLU A 31 -16.803 1.356 -9.937 1.00 0.37 N ATOM 418 CA GLU A 31 -15.542 1.814 -10.486 1.00 0.37 C ATOM 419 C GLU A 31 -14.379 1.005 -9.911 1.00 0.36 C ATOM 420 O GLU A 31 -13.619 0.377 -10.653 1.00 0.38 O ATOM 421 CB GLU A 31 -15.343 3.310 -10.172 1.00 0.37 C ATOM 422 CG GLU A 31 -16.207 4.247 -11.013 1.00 0.42 C ATOM 423 CD GLU A 31 -16.260 5.661 -10.455 1.00 0.40 C ATOM 424 OE1 GLU A 31 -16.663 5.842 -9.288 1.00 0.39 O ATOM 425 OE2 GLU A 31 -15.934 6.618 -11.185 1.00 0.42 O ATOM 0 H GLU A 31 -17.227 1.992 -9.262 1.00 0.37 H new ATOM 0 HA GLU A 31 -15.564 1.673 -11.567 1.00 0.37 H new ATOM 0 HB2 GLU A 31 -15.562 3.481 -9.118 1.00 0.37 H new ATOM 0 HB3 GLU A 31 -14.295 3.565 -10.325 1.00 0.37 H new ATOM 0 HG2 GLU A 31 -15.817 4.277 -12.031 1.00 0.42 H new ATOM 0 HG3 GLU A 31 -17.219 3.846 -11.071 1.00 0.42 H new ATOM 432 N LEU A 32 -14.275 0.993 -8.585 1.00 0.35 N ATOM 433 CA LEU A 32 -13.203 0.277 -7.898 1.00 0.35 C ATOM 434 C LEU A 32 -13.307 -1.220 -8.126 1.00 0.36 C ATOM 435 O LEU A 32 -12.291 -1.903 -8.251 1.00 0.38 O ATOM 436 CB LEU A 32 -13.232 0.579 -6.397 1.00 0.35 C ATOM 437 CG LEU A 32 -12.545 1.881 -5.969 1.00 0.41 C ATOM 438 CD1 LEU A 32 -12.964 3.045 -6.859 1.00 0.50 C ATOM 439 CD2 LEU A 32 -12.862 2.177 -4.517 1.00 0.44 C ATOM 0 H LEU A 32 -14.924 1.474 -7.962 1.00 0.35 H new ATOM 0 HA LEU A 32 -12.256 0.622 -8.313 1.00 0.35 H new ATOM 0 HB2 LEU A 32 -14.272 0.614 -6.072 1.00 0.35 H new ATOM 0 HB3 LEU A 32 -12.761 -0.250 -5.869 1.00 0.35 H new ATOM 0 HG LEU A 32 -11.468 1.754 -6.079 1.00 0.41 H new ATOM 0 HD11 LEU A 32 -12.460 3.954 -6.530 1.00 0.50 H new ATOM 0 HD12 LEU A 32 -12.689 2.831 -7.892 1.00 0.50 H new ATOM 0 HD13 LEU A 32 -14.043 3.184 -6.792 1.00 0.50 H new ATOM 0 HD21 LEU A 32 -12.371 3.103 -4.219 1.00 0.44 H new ATOM 0 HD22 LEU A 32 -13.940 2.282 -4.394 1.00 0.44 H new ATOM 0 HD23 LEU A 32 -12.503 1.359 -3.892 1.00 0.44 H new ATOM 451 N GLY A 33 -14.539 -1.721 -8.191 1.00 0.39 N ATOM 452 CA GLY A 33 -14.755 -3.137 -8.423 1.00 0.42 C ATOM 453 C GLY A 33 -14.075 -3.591 -9.694 1.00 0.46 C ATOM 454 O GLY A 33 -13.530 -4.692 -9.766 1.00 0.50 O ATOM 0 H GLY A 33 -15.391 -1.170 -8.087 1.00 0.39 H new ATOM 0 HA2 GLY A 33 -14.372 -3.709 -7.578 1.00 0.42 H new ATOM 0 HA3 GLY A 33 -15.824 -3.339 -8.487 1.00 0.42 H new ATOM 458 N THR A 34 -14.105 -2.729 -10.700 1.00 0.46 N ATOM 459 CA THR A 34 -13.480 -3.007 -11.977 1.00 0.52 C ATOM 460 C THR A 34 -11.950 -3.181 -11.818 1.00 0.53 C ATOM 461 O THR A 34 -11.368 -4.072 -12.436 1.00 0.56 O ATOM 462 CB THR A 34 -13.782 -1.880 -12.990 1.00 0.54 C ATOM 463 OG1 THR A 34 -15.199 -1.626 -13.018 1.00 0.58 O ATOM 464 CG2 THR A 34 -13.313 -2.256 -14.387 1.00 0.60 C ATOM 0 H THR A 34 -14.564 -1.819 -10.650 1.00 0.46 H new ATOM 0 HA THR A 34 -13.897 -3.940 -12.356 1.00 0.52 H new ATOM 0 HB THR A 34 -13.245 -0.985 -12.674 1.00 0.54 H new ATOM 0 HG1 THR A 34 -15.455 -1.113 -12.223 1.00 0.58 H new ATOM 0 HG21 THR A 34 -13.539 -1.444 -15.078 1.00 0.60 H new ATOM 0 HG22 THR A 34 -12.238 -2.433 -14.374 1.00 0.60 H new ATOM 0 HG23 THR A 34 -13.826 -3.161 -14.712 1.00 0.60 H new ATOM 472 N VAL A 35 -11.334 -2.348 -10.989 1.00 0.53 N ATOM 473 CA VAL A 35 -9.880 -2.432 -10.761 1.00 0.55 C ATOM 474 C VAL A 35 -9.552 -3.670 -9.936 1.00 0.57 C ATOM 475 O VAL A 35 -8.586 -4.377 -10.215 1.00 0.58 O ATOM 476 CB VAL A 35 -9.320 -1.187 -10.042 1.00 0.58 C ATOM 477 CG1 VAL A 35 -7.808 -1.282 -9.908 1.00 0.63 C ATOM 478 CG2 VAL A 35 -9.712 0.094 -10.767 1.00 0.60 C ATOM 0 H VAL A 35 -11.804 -1.611 -10.464 1.00 0.53 H new ATOM 0 HA VAL A 35 -9.410 -2.491 -11.743 1.00 0.55 H new ATOM 0 HB VAL A 35 -9.757 -1.154 -9.044 1.00 0.58 H new ATOM 0 HG11 VAL A 35 -7.431 -0.395 -9.399 1.00 0.63 H new ATOM 0 HG12 VAL A 35 -7.549 -2.170 -9.331 1.00 0.63 H new ATOM 0 HG13 VAL A 35 -7.358 -1.350 -10.899 1.00 0.63 H new ATOM 0 HG21 VAL A 35 -9.302 0.953 -10.235 1.00 0.60 H new ATOM 0 HG22 VAL A 35 -9.316 0.073 -11.782 1.00 0.60 H new ATOM 0 HG23 VAL A 35 -10.798 0.174 -10.803 1.00 0.60 H new ATOM 488 N MET A 36 -10.378 -3.929 -8.928 1.00 0.58 N ATOM 489 CA MET A 36 -10.189 -5.080 -8.042 1.00 0.62 C ATOM 490 C MET A 36 -10.403 -6.384 -8.809 1.00 0.62 C ATOM 491 O MET A 36 -10.062 -7.469 -8.343 1.00 0.67 O ATOM 492 CB MET A 36 -11.170 -4.985 -6.874 1.00 0.65 C ATOM 493 CG MET A 36 -10.737 -5.757 -5.640 1.00 0.82 C ATOM 494 SD MET A 36 -12.012 -5.785 -4.362 1.00 0.92 S ATOM 495 CE MET A 36 -11.999 -4.074 -3.826 1.00 1.07 C ATOM 0 H MET A 36 -11.190 -3.356 -8.701 1.00 0.58 H new ATOM 0 HA MET A 36 -9.169 -5.074 -7.658 1.00 0.62 H new ATOM 0 HB2 MET A 36 -11.301 -3.936 -6.607 1.00 0.65 H new ATOM 0 HB3 MET A 36 -12.143 -5.355 -7.199 1.00 0.65 H new ATOM 0 HG2 MET A 36 -10.488 -6.780 -5.923 1.00 0.82 H new ATOM 0 HG3 MET A 36 -9.830 -5.309 -5.234 1.00 0.82 H new ATOM 0 HE1 MET A 36 -11.873 -4.033 -2.744 1.00 1.07 H new ATOM 0 HE2 MET A 36 -11.174 -3.548 -4.307 1.00 1.07 H new ATOM 0 HE3 MET A 36 -12.941 -3.600 -4.100 1.00 1.07 H new ATOM 505 N ARG A 37 -10.936 -6.242 -10.009 1.00 0.60 N ATOM 506 CA ARG A 37 -11.206 -7.369 -10.882 1.00 0.63 C ATOM 507 C ARG A 37 -9.963 -7.649 -11.717 1.00 0.65 C ATOM 508 O ARG A 37 -9.562 -8.800 -11.904 1.00 0.68 O ATOM 509 CB ARG A 37 -12.403 -7.057 -11.779 1.00 0.64 C ATOM 510 CG ARG A 37 -12.651 -8.082 -12.872 1.00 0.72 C ATOM 511 CD ARG A 37 -12.828 -7.402 -14.215 1.00 0.83 C ATOM 512 NE ARG A 37 -11.582 -6.793 -14.691 1.00 0.86 N ATOM 513 CZ ARG A 37 -10.918 -7.208 -15.770 1.00 1.25 C ATOM 514 NH1 ARG A 37 -11.321 -8.286 -16.429 1.00 1.82 N ATOM 515 NH2 ARG A 37 -9.838 -6.551 -16.170 1.00 1.32 N ATOM 0 H ARG A 37 -11.194 -5.339 -10.406 1.00 0.60 H new ATOM 0 HA ARG A 37 -11.448 -8.252 -10.291 1.00 0.63 H new ATOM 0 HB2 ARG A 37 -13.296 -6.981 -11.159 1.00 0.64 H new ATOM 0 HB3 ARG A 37 -12.251 -6.081 -12.240 1.00 0.64 H new ATOM 0 HG2 ARG A 37 -11.815 -8.780 -12.920 1.00 0.72 H new ATOM 0 HG3 ARG A 37 -13.540 -8.666 -12.635 1.00 0.72 H new ATOM 0 HD2 ARG A 37 -13.178 -8.130 -14.947 1.00 0.83 H new ATOM 0 HD3 ARG A 37 -13.599 -6.635 -14.134 1.00 0.83 H new ATOM 0 HE ARG A 37 -11.201 -6.006 -14.166 1.00 0.86 H new ATOM 0 HH11 ARG A 37 -12.142 -8.801 -16.111 1.00 1.82 H new ATOM 0 HH12 ARG A 37 -10.810 -8.600 -17.254 1.00 1.82 H new ATOM 0 HH21 ARG A 37 -9.519 -5.732 -15.653 1.00 1.32 H new ATOM 0 HH22 ARG A 37 -9.327 -6.865 -16.995 1.00 1.32 H new ATOM 529 N SER A 38 -9.332 -6.573 -12.177 1.00 0.64 N ATOM 530 CA SER A 38 -8.129 -6.666 -12.991 1.00 0.68 C ATOM 531 C SER A 38 -6.942 -7.131 -12.148 1.00 0.66 C ATOM 532 O SER A 38 -5.841 -7.336 -12.659 1.00 0.69 O ATOM 533 CB SER A 38 -7.828 -5.307 -13.624 1.00 0.70 C ATOM 534 OG SER A 38 -9.005 -4.729 -14.171 1.00 0.80 O ATOM 0 H SER A 38 -9.640 -5.617 -11.996 1.00 0.64 H new ATOM 0 HA SER A 38 -8.295 -7.400 -13.780 1.00 0.68 H new ATOM 0 HB2 SER A 38 -7.405 -4.638 -12.875 1.00 0.70 H new ATOM 0 HB3 SER A 38 -7.078 -5.424 -14.407 1.00 0.70 H new ATOM 0 HG SER A 38 -8.788 -3.860 -14.569 1.00 0.80 H new ATOM 540 N LEU A 39 -7.178 -7.304 -10.855 1.00 0.66 N ATOM 541 CA LEU A 39 -6.146 -7.754 -9.938 1.00 0.67 C ATOM 542 C LEU A 39 -6.074 -9.278 -9.904 1.00 0.73 C ATOM 543 O LEU A 39 -5.212 -9.854 -9.241 1.00 0.86 O ATOM 544 CB LEU A 39 -6.415 -7.200 -8.539 1.00 0.62 C ATOM 545 CG LEU A 39 -6.174 -5.697 -8.392 1.00 0.58 C ATOM 546 CD1 LEU A 39 -6.358 -5.262 -6.946 1.00 0.60 C ATOM 547 CD2 LEU A 39 -4.783 -5.330 -8.886 1.00 0.57 C ATOM 0 H LEU A 39 -8.084 -7.137 -10.417 1.00 0.66 H new ATOM 0 HA LEU A 39 -5.184 -7.380 -10.289 1.00 0.67 H new ATOM 0 HB2 LEU A 39 -7.449 -7.417 -8.269 1.00 0.62 H new ATOM 0 HB3 LEU A 39 -5.782 -7.728 -7.826 1.00 0.62 H new ATOM 0 HG LEU A 39 -6.908 -5.171 -9.003 1.00 0.58 H new ATOM 0 HD11 LEU A 39 -6.182 -4.189 -6.863 1.00 0.60 H new ATOM 0 HD12 LEU A 39 -7.375 -5.489 -6.624 1.00 0.60 H new ATOM 0 HD13 LEU A 39 -5.650 -5.796 -6.313 1.00 0.60 H new ATOM 0 HD21 LEU A 39 -4.629 -4.257 -8.774 1.00 0.57 H new ATOM 0 HD22 LEU A 39 -4.036 -5.867 -8.302 1.00 0.57 H new ATOM 0 HD23 LEU A 39 -4.686 -5.603 -9.937 1.00 0.57 H new ATOM 559 N GLY A 40 -6.972 -9.927 -10.631 1.00 0.74 N ATOM 560 CA GLY A 40 -6.980 -11.376 -10.664 1.00 0.82 C ATOM 561 C GLY A 40 -7.944 -11.959 -9.660 1.00 0.79 C ATOM 562 O GLY A 40 -7.723 -13.047 -9.130 1.00 0.89 O ATOM 0 H GLY A 40 -7.693 -9.479 -11.197 1.00 0.74 H new ATOM 0 HA2 GLY A 40 -7.250 -11.714 -11.664 1.00 0.82 H new ATOM 0 HA3 GLY A 40 -5.976 -11.749 -10.461 1.00 0.82 H new ATOM 566 N GLN A 41 -9.016 -11.238 -9.393 1.00 0.80 N ATOM 567 CA GLN A 41 -10.012 -11.682 -8.439 1.00 0.79 C ATOM 568 C GLN A 41 -11.407 -11.359 -8.953 1.00 0.77 C ATOM 569 O GLN A 41 -11.568 -10.549 -9.868 1.00 0.92 O ATOM 570 CB GLN A 41 -9.786 -11.015 -7.074 1.00 0.82 C ATOM 571 CG GLN A 41 -8.477 -11.411 -6.404 1.00 0.93 C ATOM 572 CD GLN A 41 -8.228 -10.661 -5.111 1.00 1.02 C ATOM 573 OE1 GLN A 41 -8.723 -11.044 -4.052 1.00 1.25 O ATOM 574 NE2 GLN A 41 -7.439 -9.598 -5.186 1.00 1.23 N ATOM 0 H GLN A 41 -9.219 -10.337 -9.826 1.00 0.80 H new ATOM 0 HA GLN A 41 -9.919 -12.761 -8.317 1.00 0.79 H new ATOM 0 HB2 GLN A 41 -9.805 -9.933 -7.202 1.00 0.82 H new ATOM 0 HB3 GLN A 41 -10.614 -11.272 -6.413 1.00 0.82 H new ATOM 0 HG2 GLN A 41 -8.488 -12.482 -6.201 1.00 0.93 H new ATOM 0 HG3 GLN A 41 -7.652 -11.225 -7.091 1.00 0.93 H new ATOM 0 HE21 GLN A 41 -7.049 -9.315 -6.085 1.00 1.23 H new ATOM 0 HE22 GLN A 41 -7.222 -9.064 -4.345 1.00 1.23 H new ATOM 583 N ASN A 42 -12.404 -12.006 -8.379 1.00 0.69 N ATOM 584 CA ASN A 42 -13.787 -11.770 -8.755 1.00 0.69 C ATOM 585 C ASN A 42 -14.665 -11.832 -7.515 1.00 0.65 C ATOM 586 O ASN A 42 -15.037 -12.915 -7.063 1.00 0.74 O ATOM 587 CB ASN A 42 -14.271 -12.785 -9.793 1.00 0.76 C ATOM 588 CG ASN A 42 -15.578 -12.361 -10.437 1.00 1.02 C ATOM 589 OD1 ASN A 42 -16.660 -12.647 -9.925 1.00 1.37 O ATOM 590 ND2 ASN A 42 -15.490 -11.683 -11.568 1.00 1.33 N ATOM 0 H ASN A 42 -12.281 -12.704 -7.645 1.00 0.69 H new ATOM 0 HA ASN A 42 -13.854 -10.780 -9.207 1.00 0.69 H new ATOM 0 HB2 ASN A 42 -13.510 -12.906 -10.564 1.00 0.76 H new ATOM 0 HB3 ASN A 42 -14.400 -13.757 -9.317 1.00 0.76 H new ATOM 0 HD21 ASN A 42 -16.337 -11.378 -12.047 1.00 1.33 H new ATOM 0 HD22 ASN A 42 -14.575 -11.465 -11.962 1.00 1.33 H new ATOM 597 N PRO A 43 -14.973 -10.671 -6.933 1.00 0.60 N ATOM 598 CA PRO A 43 -15.787 -10.575 -5.735 1.00 0.61 C ATOM 599 C PRO A 43 -17.267 -10.363 -6.041 1.00 0.56 C ATOM 600 O PRO A 43 -17.624 -9.764 -7.057 1.00 0.55 O ATOM 601 CB PRO A 43 -15.199 -9.343 -5.044 1.00 0.65 C ATOM 602 CG PRO A 43 -14.511 -8.540 -6.115 1.00 0.74 C ATOM 603 CD PRO A 43 -14.562 -9.344 -7.393 1.00 0.66 C ATOM 0 HA PRO A 43 -15.761 -11.487 -5.139 1.00 0.61 H new ATOM 0 HB2 PRO A 43 -15.982 -8.757 -4.563 1.00 0.65 H new ATOM 0 HB3 PRO A 43 -14.495 -9.634 -4.265 1.00 0.65 H new ATOM 0 HG2 PRO A 43 -15.005 -7.577 -6.248 1.00 0.74 H new ATOM 0 HG3 PRO A 43 -13.478 -8.333 -5.834 1.00 0.74 H new ATOM 0 HD2 PRO A 43 -15.274 -8.926 -8.105 1.00 0.66 H new ATOM 0 HD3 PRO A 43 -13.593 -9.372 -7.891 1.00 0.66 H new ATOM 611 N THR A 44 -18.122 -10.857 -5.160 1.00 0.58 N ATOM 612 CA THR A 44 -19.556 -10.709 -5.330 1.00 0.58 C ATOM 613 C THR A 44 -20.042 -9.454 -4.603 1.00 0.52 C ATOM 614 O THR A 44 -19.246 -8.757 -3.978 1.00 0.49 O ATOM 615 CB THR A 44 -20.309 -11.950 -4.803 1.00 0.67 C ATOM 616 OG1 THR A 44 -20.127 -12.077 -3.386 1.00 0.91 O ATOM 617 CG2 THR A 44 -19.814 -13.213 -5.496 1.00 1.04 C ATOM 0 H THR A 44 -17.846 -11.364 -4.319 1.00 0.58 H new ATOM 0 HA THR A 44 -19.764 -10.612 -6.395 1.00 0.58 H new ATOM 0 HB THR A 44 -21.370 -11.821 -5.019 1.00 0.67 H new ATOM 0 HG1 THR A 44 -19.235 -12.438 -3.202 1.00 0.91 H new ATOM 0 HG21 THR A 44 -20.357 -14.076 -5.111 1.00 1.04 H new ATOM 0 HG22 THR A 44 -19.982 -13.128 -6.570 1.00 1.04 H new ATOM 0 HG23 THR A 44 -18.748 -13.339 -5.304 1.00 1.04 H new ATOM 625 N GLU A 45 -21.335 -9.174 -4.700 1.00 0.53 N ATOM 626 CA GLU A 45 -21.936 -8.005 -4.041 1.00 0.54 C ATOM 627 C GLU A 45 -21.591 -7.941 -2.545 1.00 0.50 C ATOM 628 O GLU A 45 -21.444 -6.854 -1.983 1.00 0.54 O ATOM 629 CB GLU A 45 -23.457 -8.025 -4.227 1.00 0.62 C ATOM 630 CG GLU A 45 -24.017 -6.788 -4.917 1.00 0.97 C ATOM 631 CD GLU A 45 -24.763 -5.879 -3.961 1.00 1.50 C ATOM 632 OE1 GLU A 45 -25.928 -6.188 -3.624 1.00 2.18 O ATOM 633 OE2 GLU A 45 -24.192 -4.854 -3.536 1.00 1.89 O ATOM 0 H GLU A 45 -21.997 -9.740 -5.230 1.00 0.53 H new ATOM 0 HA GLU A 45 -21.518 -7.114 -4.511 1.00 0.54 H new ATOM 0 HB2 GLU A 45 -23.729 -8.906 -4.808 1.00 0.62 H new ATOM 0 HB3 GLU A 45 -23.930 -8.128 -3.250 1.00 0.62 H new ATOM 0 HG2 GLU A 45 -23.201 -6.233 -5.379 1.00 0.97 H new ATOM 0 HG3 GLU A 45 -24.688 -7.096 -5.719 1.00 0.97 H new ATOM 640 N ALA A 46 -21.448 -9.102 -1.911 1.00 0.51 N ATOM 641 CA ALA A 46 -21.130 -9.162 -0.486 1.00 0.54 C ATOM 642 C ALA A 46 -19.694 -8.732 -0.228 1.00 0.50 C ATOM 643 O ALA A 46 -19.407 -8.009 0.728 1.00 0.51 O ATOM 644 CB ALA A 46 -21.354 -10.565 0.054 1.00 0.63 C ATOM 0 H ALA A 46 -21.547 -10.013 -2.360 1.00 0.51 H new ATOM 0 HA ALA A 46 -21.796 -8.472 0.032 1.00 0.54 H new ATOM 0 HB1 ALA A 46 -21.112 -10.589 1.116 1.00 0.63 H new ATOM 0 HB2 ALA A 46 -22.398 -10.847 -0.087 1.00 0.63 H new ATOM 0 HB3 ALA A 46 -20.714 -11.267 -0.480 1.00 0.63 H new ATOM 650 N GLU A 47 -18.803 -9.170 -1.106 1.00 0.49 N ATOM 651 CA GLU A 47 -17.384 -8.852 -0.992 1.00 0.51 C ATOM 652 C GLU A 47 -17.122 -7.419 -1.419 1.00 0.49 C ATOM 653 O GLU A 47 -16.362 -6.695 -0.779 1.00 0.51 O ATOM 654 CB GLU A 47 -16.551 -9.788 -1.862 1.00 0.56 C ATOM 655 CG GLU A 47 -16.306 -11.146 -1.244 1.00 0.73 C ATOM 656 CD GLU A 47 -17.343 -12.159 -1.659 1.00 0.95 C ATOM 657 OE1 GLU A 47 -17.603 -12.282 -2.877 1.00 1.28 O ATOM 658 OE2 GLU A 47 -17.910 -12.824 -0.778 1.00 1.57 O ATOM 0 H GLU A 47 -19.039 -9.751 -1.911 1.00 0.49 H new ATOM 0 HA GLU A 47 -17.099 -8.978 0.052 1.00 0.51 H new ATOM 0 HB2 GLU A 47 -17.054 -9.921 -2.820 1.00 0.56 H new ATOM 0 HB3 GLU A 47 -15.591 -9.316 -2.070 1.00 0.56 H new ATOM 0 HG2 GLU A 47 -15.317 -11.502 -1.534 1.00 0.73 H new ATOM 0 HG3 GLU A 47 -16.306 -11.054 -0.158 1.00 0.73 H new ATOM 665 N LEU A 48 -17.777 -7.015 -2.500 1.00 0.47 N ATOM 666 CA LEU A 48 -17.623 -5.678 -3.046 1.00 0.50 C ATOM 667 C LEU A 48 -17.986 -4.595 -2.032 1.00 0.48 C ATOM 668 O LEU A 48 -17.326 -3.562 -1.979 1.00 0.53 O ATOM 669 CB LEU A 48 -18.464 -5.533 -4.310 1.00 0.53 C ATOM 670 CG LEU A 48 -17.822 -6.142 -5.556 1.00 0.57 C ATOM 671 CD1 LEU A 48 -18.830 -6.260 -6.691 1.00 0.64 C ATOM 672 CD2 LEU A 48 -16.624 -5.308 -5.988 1.00 0.62 C ATOM 0 H LEU A 48 -18.427 -7.605 -3.020 1.00 0.47 H new ATOM 0 HA LEU A 48 -16.570 -5.541 -3.294 1.00 0.50 H new ATOM 0 HB2 LEU A 48 -19.433 -6.004 -4.146 1.00 0.53 H new ATOM 0 HB3 LEU A 48 -18.651 -4.474 -4.490 1.00 0.53 H new ATOM 0 HG LEU A 48 -17.481 -7.147 -5.309 1.00 0.57 H new ATOM 0 HD11 LEU A 48 -18.345 -6.696 -7.564 1.00 0.64 H new ATOM 0 HD12 LEU A 48 -19.657 -6.898 -6.378 1.00 0.64 H new ATOM 0 HD13 LEU A 48 -19.211 -5.270 -6.944 1.00 0.64 H new ATOM 0 HD21 LEU A 48 -16.174 -5.751 -6.877 1.00 0.62 H new ATOM 0 HD22 LEU A 48 -16.950 -4.293 -6.214 1.00 0.62 H new ATOM 0 HD23 LEU A 48 -15.889 -5.283 -5.183 1.00 0.62 H new ATOM 684 N GLN A 49 -18.991 -4.848 -1.207 1.00 0.48 N ATOM 685 CA GLN A 49 -19.394 -3.858 -0.212 1.00 0.50 C ATOM 686 C GLN A 49 -18.553 -4.007 1.041 1.00 0.49 C ATOM 687 O GLN A 49 -18.409 -3.068 1.821 1.00 0.49 O ATOM 688 CB GLN A 49 -20.877 -3.986 0.123 1.00 0.57 C ATOM 689 CG GLN A 49 -21.627 -2.663 0.071 1.00 0.73 C ATOM 690 CD GLN A 49 -21.514 -1.974 -1.277 1.00 0.98 C ATOM 691 OE1 GLN A 49 -20.593 -1.195 -1.512 1.00 1.18 O ATOM 692 NE2 GLN A 49 -22.453 -2.253 -2.169 1.00 1.26 N ATOM 0 H GLN A 49 -19.535 -5.711 -1.203 1.00 0.48 H new ATOM 0 HA GLN A 49 -19.231 -2.866 -0.633 1.00 0.50 H new ATOM 0 HB2 GLN A 49 -21.340 -4.685 -0.574 1.00 0.57 H new ATOM 0 HB3 GLN A 49 -20.981 -4.414 1.120 1.00 0.57 H new ATOM 0 HG2 GLN A 49 -22.679 -2.838 0.297 1.00 0.73 H new ATOM 0 HG3 GLN A 49 -21.240 -2.001 0.846 1.00 0.73 H new ATOM 0 HE21 GLN A 49 -23.201 -2.906 -1.935 1.00 1.26 H new ATOM 0 HE22 GLN A 49 -22.428 -1.815 -3.090 1.00 1.26 H new ATOM 701 N ASP A 50 -18.003 -5.203 1.233 1.00 0.50 N ATOM 702 CA ASP A 50 -17.168 -5.484 2.395 1.00 0.53 C ATOM 703 C ASP A 50 -15.920 -4.617 2.367 1.00 0.50 C ATOM 704 O ASP A 50 -15.498 -4.079 3.389 1.00 0.53 O ATOM 705 CB ASP A 50 -16.776 -6.962 2.441 1.00 0.58 C ATOM 706 CG ASP A 50 -15.917 -7.285 3.648 1.00 0.81 C ATOM 707 OD1 ASP A 50 -16.437 -7.221 4.782 1.00 0.90 O ATOM 708 OD2 ASP A 50 -14.725 -7.601 3.466 1.00 1.38 O ATOM 0 H ASP A 50 -18.121 -5.993 0.598 1.00 0.50 H new ATOM 0 HA ASP A 50 -17.744 -5.252 3.291 1.00 0.53 H new ATOM 0 HB2 ASP A 50 -17.677 -7.575 2.463 1.00 0.58 H new ATOM 0 HB3 ASP A 50 -16.235 -7.222 1.531 1.00 0.58 H new ATOM 713 N MET A 51 -15.352 -4.490 1.181 1.00 0.47 N ATOM 714 CA MET A 51 -14.164 -3.676 0.972 1.00 0.47 C ATOM 715 C MET A 51 -14.487 -2.210 1.243 1.00 0.44 C ATOM 716 O MET A 51 -13.731 -1.503 1.906 1.00 0.46 O ATOM 717 CB MET A 51 -13.678 -3.836 -0.466 1.00 0.49 C ATOM 718 CG MET A 51 -13.646 -5.278 -0.938 1.00 0.54 C ATOM 719 SD MET A 51 -12.410 -6.276 -0.096 1.00 0.88 S ATOM 720 CE MET A 51 -12.429 -7.720 -1.149 1.00 1.38 C ATOM 0 H MET A 51 -15.699 -4.946 0.337 1.00 0.47 H new ATOM 0 HA MET A 51 -13.381 -4.003 1.657 1.00 0.47 H new ATOM 0 HB2 MET A 51 -14.327 -3.260 -1.126 1.00 0.49 H new ATOM 0 HB3 MET A 51 -12.678 -3.412 -0.552 1.00 0.49 H new ATOM 0 HG2 MET A 51 -14.629 -5.725 -0.786 1.00 0.54 H new ATOM 0 HG3 MET A 51 -13.450 -5.298 -2.010 1.00 0.54 H new ATOM 0 HE1 MET A 51 -12.093 -8.588 -0.582 1.00 1.38 H new ATOM 0 HE2 MET A 51 -13.443 -7.893 -1.511 1.00 1.38 H new ATOM 0 HE3 MET A 51 -11.763 -7.561 -1.997 1.00 1.38 H new ATOM 730 N ILE A 52 -15.635 -1.787 0.731 1.00 0.42 N ATOM 731 CA ILE A 52 -16.117 -0.417 0.881 1.00 0.43 C ATOM 732 C ILE A 52 -16.420 -0.090 2.341 1.00 0.46 C ATOM 733 O ILE A 52 -16.080 0.991 2.819 1.00 0.46 O ATOM 734 CB ILE A 52 -17.394 -0.197 0.038 1.00 0.43 C ATOM 735 CG1 ILE A 52 -17.104 -0.397 -1.452 1.00 0.43 C ATOM 736 CG2 ILE A 52 -17.987 1.183 0.281 1.00 0.48 C ATOM 737 CD1 ILE A 52 -16.125 0.605 -2.030 1.00 0.48 C ATOM 0 H ILE A 52 -16.263 -2.387 0.196 1.00 0.42 H new ATOM 0 HA ILE A 52 -15.326 0.246 0.530 1.00 0.43 H new ATOM 0 HB ILE A 52 -18.127 -0.940 0.352 1.00 0.43 H new ATOM 0 HG12 ILE A 52 -16.711 -1.402 -1.603 1.00 0.43 H new ATOM 0 HG13 ILE A 52 -18.041 -0.335 -2.005 1.00 0.43 H new ATOM 0 HG21 ILE A 52 -18.884 1.306 -0.327 1.00 0.48 H new ATOM 0 HG22 ILE A 52 -18.246 1.288 1.335 1.00 0.48 H new ATOM 0 HG23 ILE A 52 -17.257 1.946 0.009 1.00 0.48 H new ATOM 0 HD11 ILE A 52 -15.973 0.396 -3.089 1.00 0.48 H new ATOM 0 HD12 ILE A 52 -16.524 1.613 -1.913 1.00 0.48 H new ATOM 0 HD13 ILE A 52 -15.173 0.528 -1.505 1.00 0.48 H new ATOM 749 N ASN A 53 -17.053 -1.030 3.038 1.00 0.52 N ATOM 750 CA ASN A 53 -17.411 -0.853 4.452 1.00 0.59 C ATOM 751 C ASN A 53 -16.186 -0.499 5.297 1.00 0.61 C ATOM 752 O ASN A 53 -16.301 0.171 6.321 1.00 0.66 O ATOM 753 CB ASN A 53 -18.049 -2.130 5.008 1.00 0.68 C ATOM 754 CG ASN A 53 -18.596 -1.935 6.411 1.00 1.02 C ATOM 755 OD1 ASN A 53 -19.288 -0.954 6.691 1.00 1.29 O ATOM 756 ND2 ASN A 53 -18.282 -2.857 7.308 1.00 1.40 N ATOM 0 H ASN A 53 -17.332 -1.930 2.648 1.00 0.52 H new ATOM 0 HA ASN A 53 -18.125 -0.031 4.505 1.00 0.59 H new ATOM 0 HB2 ASN A 53 -18.855 -2.449 4.347 1.00 0.68 H new ATOM 0 HB3 ASN A 53 -17.309 -2.930 5.017 1.00 0.68 H new ATOM 0 HD21 ASN A 53 -18.615 -2.769 8.268 1.00 1.40 H new ATOM 0 HD22 ASN A 53 -17.707 -3.655 7.039 1.00 1.40 H new ATOM 763 N GLU A 54 -15.028 -0.962 4.852 1.00 0.61 N ATOM 764 CA GLU A 54 -13.778 -0.702 5.553 1.00 0.66 C ATOM 765 C GLU A 54 -13.475 0.794 5.583 1.00 0.61 C ATOM 766 O GLU A 54 -12.937 1.316 6.559 1.00 0.71 O ATOM 767 CB GLU A 54 -12.631 -1.451 4.887 1.00 0.73 C ATOM 768 CG GLU A 54 -11.446 -1.667 5.806 1.00 1.31 C ATOM 769 CD GLU A 54 -10.403 -0.581 5.675 1.00 2.20 C ATOM 770 OE1 GLU A 54 -10.219 -0.059 4.552 1.00 2.70 O ATOM 771 OE2 GLU A 54 -9.775 -0.242 6.695 1.00 2.84 O ATOM 0 H GLU A 54 -14.927 -1.522 4.005 1.00 0.61 H new ATOM 0 HA GLU A 54 -13.884 -1.055 6.579 1.00 0.66 H new ATOM 0 HB2 GLU A 54 -12.992 -2.418 4.537 1.00 0.73 H new ATOM 0 HB3 GLU A 54 -12.304 -0.895 4.008 1.00 0.73 H new ATOM 0 HG2 GLU A 54 -11.794 -1.709 6.838 1.00 1.31 H new ATOM 0 HG3 GLU A 54 -10.990 -2.632 5.584 1.00 1.31 H new ATOM 778 N VAL A 55 -13.835 1.473 4.509 1.00 0.51 N ATOM 779 CA VAL A 55 -13.608 2.901 4.397 1.00 0.47 C ATOM 780 C VAL A 55 -14.857 3.660 4.832 1.00 0.44 C ATOM 781 O VAL A 55 -14.774 4.740 5.417 1.00 0.51 O ATOM 782 CB VAL A 55 -13.251 3.306 2.947 1.00 0.49 C ATOM 783 CG1 VAL A 55 -12.970 4.796 2.855 1.00 0.82 C ATOM 784 CG2 VAL A 55 -12.066 2.507 2.414 1.00 0.59 C ATOM 0 H VAL A 55 -14.289 1.054 3.697 1.00 0.51 H new ATOM 0 HA VAL A 55 -12.769 3.155 5.045 1.00 0.47 H new ATOM 0 HB VAL A 55 -14.115 3.075 2.324 1.00 0.49 H new ATOM 0 HG11 VAL A 55 -12.721 5.057 1.826 1.00 0.82 H new ATOM 0 HG12 VAL A 55 -13.854 5.353 3.167 1.00 0.82 H new ATOM 0 HG13 VAL A 55 -12.133 5.049 3.506 1.00 0.82 H new ATOM 0 HG21 VAL A 55 -11.846 2.820 1.393 1.00 0.59 H new ATOM 0 HG22 VAL A 55 -11.194 2.685 3.044 1.00 0.59 H new ATOM 0 HG23 VAL A 55 -12.310 1.445 2.423 1.00 0.59 H new ATOM 794 N ASP A 56 -16.010 3.062 4.561 1.00 0.48 N ATOM 795 CA ASP A 56 -17.294 3.672 4.883 1.00 0.47 C ATOM 796 C ASP A 56 -17.514 3.759 6.381 1.00 0.50 C ATOM 797 O ASP A 56 -17.480 2.752 7.091 1.00 0.55 O ATOM 798 CB ASP A 56 -18.442 2.890 4.249 1.00 0.48 C ATOM 799 CG ASP A 56 -19.659 3.763 4.028 1.00 0.47 C ATOM 800 OD1 ASP A 56 -19.758 4.391 2.951 1.00 0.48 O ATOM 801 OD2 ASP A 56 -20.519 3.842 4.919 1.00 0.53 O ATOM 0 H ASP A 56 -16.082 2.147 4.115 1.00 0.48 H new ATOM 0 HA ASP A 56 -17.275 4.683 4.476 1.00 0.47 H new ATOM 0 HB2 ASP A 56 -18.116 2.473 3.296 1.00 0.48 H new ATOM 0 HB3 ASP A 56 -18.708 2.050 4.891 1.00 0.48 H new ATOM 806 N ALA A 57 -17.753 4.963 6.860 1.00 0.55 N ATOM 807 CA ALA A 57 -17.978 5.181 8.272 1.00 0.60 C ATOM 808 C ALA A 57 -19.340 5.824 8.508 1.00 0.62 C ATOM 809 O ALA A 57 -19.849 5.828 9.627 1.00 0.67 O ATOM 810 CB ALA A 57 -16.868 6.041 8.859 1.00 0.68 C ATOM 0 H ALA A 57 -17.796 5.807 6.289 1.00 0.55 H new ATOM 0 HA ALA A 57 -17.968 4.214 8.776 1.00 0.60 H new ATOM 0 HB1 ALA A 57 -17.052 6.196 9.922 1.00 0.68 H new ATOM 0 HB2 ALA A 57 -15.910 5.539 8.726 1.00 0.68 H new ATOM 0 HB3 ALA A 57 -16.847 7.005 8.350 1.00 0.68 H new ATOM 816 N ASP A 58 -19.928 6.362 7.444 1.00 0.60 N ATOM 817 CA ASP A 58 -21.231 7.013 7.541 1.00 0.65 C ATOM 818 C ASP A 58 -22.361 5.984 7.525 1.00 0.66 C ATOM 819 O ASP A 58 -23.399 6.192 8.155 1.00 0.73 O ATOM 820 CB ASP A 58 -21.405 8.060 6.428 1.00 0.66 C ATOM 821 CG ASP A 58 -22.030 7.520 5.153 1.00 0.64 C ATOM 822 OD1 ASP A 58 -21.346 6.783 4.408 1.00 0.61 O ATOM 823 OD2 ASP A 58 -23.200 7.855 4.879 1.00 0.74 O ATOM 0 H ASP A 58 -19.525 6.360 6.507 1.00 0.60 H new ATOM 0 HA ASP A 58 -21.279 7.536 8.496 1.00 0.65 H new ATOM 0 HB2 ASP A 58 -22.024 8.874 6.805 1.00 0.66 H new ATOM 0 HB3 ASP A 58 -20.430 8.485 6.189 1.00 0.66 H new ATOM 828 N GLY A 59 -22.155 4.872 6.825 1.00 0.62 N ATOM 829 CA GLY A 59 -23.164 3.829 6.782 1.00 0.64 C ATOM 830 C GLY A 59 -23.980 3.841 5.507 1.00 0.67 C ATOM 831 O GLY A 59 -25.117 3.368 5.492 1.00 0.90 O ATOM 0 H GLY A 59 -21.310 4.675 6.288 1.00 0.62 H new ATOM 0 HA2 GLY A 59 -22.679 2.859 6.886 1.00 0.64 H new ATOM 0 HA3 GLY A 59 -23.833 3.944 7.635 1.00 0.64 H new ATOM 835 N ASN A 60 -23.409 4.368 4.435 1.00 0.57 N ATOM 836 CA ASN A 60 -24.121 4.426 3.163 1.00 0.58 C ATOM 837 C ASN A 60 -23.577 3.397 2.173 1.00 0.55 C ATOM 838 O ASN A 60 -24.296 2.950 1.278 1.00 0.60 O ATOM 839 CB ASN A 60 -24.053 5.840 2.563 1.00 0.59 C ATOM 840 CG ASN A 60 -23.091 5.953 1.392 1.00 0.55 C ATOM 841 OD1 ASN A 60 -21.890 6.193 1.571 1.00 0.52 O ATOM 842 ND2 ASN A 60 -23.616 5.790 0.187 1.00 0.58 N ATOM 0 H ASN A 60 -22.467 4.758 4.417 1.00 0.57 H new ATOM 0 HA ASN A 60 -25.165 4.183 3.358 1.00 0.58 H new ATOM 0 HB2 ASN A 60 -25.049 6.136 2.235 1.00 0.59 H new ATOM 0 HB3 ASN A 60 -23.752 6.542 3.340 1.00 0.59 H new ATOM 0 HD21 ASN A 60 -23.024 5.861 -0.641 1.00 0.58 H new ATOM 0 HD22 ASN A 60 -24.612 5.593 0.087 1.00 0.58 H new ATOM 849 N GLY A 61 -22.319 3.008 2.339 1.00 0.51 N ATOM 850 CA GLY A 61 -21.722 2.046 1.431 1.00 0.51 C ATOM 851 C GLY A 61 -21.143 2.705 0.186 1.00 0.49 C ATOM 852 O GLY A 61 -21.404 2.269 -0.935 1.00 0.52 O ATOM 0 H GLY A 61 -21.704 3.339 3.082 1.00 0.51 H new ATOM 0 HA2 GLY A 61 -20.934 1.501 1.950 1.00 0.51 H new ATOM 0 HA3 GLY A 61 -22.474 1.314 1.135 1.00 0.51 H new ATOM 856 N THR A 62 -20.368 3.765 0.384 1.00 0.46 N ATOM 857 CA THR A 62 -19.735 4.499 -0.713 1.00 0.45 C ATOM 858 C THR A 62 -18.539 5.298 -0.185 1.00 0.42 C ATOM 859 O THR A 62 -18.645 5.942 0.863 1.00 0.45 O ATOM 860 CB THR A 62 -20.729 5.479 -1.392 1.00 0.50 C ATOM 861 OG1 THR A 62 -21.883 4.778 -1.875 1.00 0.57 O ATOM 862 CG2 THR A 62 -20.073 6.227 -2.546 1.00 0.57 C ATOM 0 H THR A 62 -20.159 4.142 1.308 1.00 0.46 H new ATOM 0 HA THR A 62 -19.407 3.767 -1.451 1.00 0.45 H new ATOM 0 HB THR A 62 -21.035 6.203 -0.637 1.00 0.50 H new ATOM 0 HG1 THR A 62 -22.420 5.378 -2.434 1.00 0.57 H new ATOM 0 HG21 THR A 62 -20.797 6.904 -2.999 1.00 0.57 H new ATOM 0 HG22 THR A 62 -19.224 6.800 -2.173 1.00 0.57 H new ATOM 0 HG23 THR A 62 -19.728 5.513 -3.293 1.00 0.57 H new ATOM 870 N ILE A 63 -17.408 5.242 -0.893 1.00 0.40 N ATOM 871 CA ILE A 63 -16.208 5.978 -0.487 1.00 0.37 C ATOM 872 C ILE A 63 -16.361 7.452 -0.860 1.00 0.40 C ATOM 873 O ILE A 63 -16.085 7.853 -1.994 1.00 0.44 O ATOM 874 CB ILE A 63 -14.923 5.380 -1.131 1.00 0.36 C ATOM 875 CG1 ILE A 63 -14.697 3.959 -0.621 1.00 0.39 C ATOM 876 CG2 ILE A 63 -13.686 6.234 -0.863 1.00 0.43 C ATOM 877 CD1 ILE A 63 -13.427 3.326 -1.139 1.00 0.46 C ATOM 0 H ILE A 63 -17.298 4.696 -1.748 1.00 0.40 H new ATOM 0 HA ILE A 63 -16.100 5.888 0.594 1.00 0.37 H new ATOM 0 HB ILE A 63 -15.078 5.365 -2.210 1.00 0.36 H new ATOM 0 HG12 ILE A 63 -14.668 3.973 0.469 1.00 0.39 H new ATOM 0 HG13 ILE A 63 -15.546 3.339 -0.909 1.00 0.39 H new ATOM 0 HG21 ILE A 63 -12.817 5.774 -1.333 1.00 0.43 H new ATOM 0 HG22 ILE A 63 -13.836 7.232 -1.276 1.00 0.43 H new ATOM 0 HG23 ILE A 63 -13.520 6.307 0.212 1.00 0.43 H new ATOM 0 HD11 ILE A 63 -13.332 2.318 -0.735 1.00 0.46 H new ATOM 0 HD12 ILE A 63 -13.461 3.279 -2.227 1.00 0.46 H new ATOM 0 HD13 ILE A 63 -12.570 3.923 -0.828 1.00 0.46 H new ATOM 889 N ASP A 64 -16.839 8.248 0.090 1.00 0.41 N ATOM 890 CA ASP A 64 -17.042 9.672 -0.137 1.00 0.45 C ATOM 891 C ASP A 64 -15.836 10.476 0.337 1.00 0.45 C ATOM 892 O ASP A 64 -14.855 9.912 0.819 1.00 0.42 O ATOM 893 CB ASP A 64 -18.332 10.170 0.541 1.00 0.49 C ATOM 894 CG ASP A 64 -18.561 9.588 1.927 1.00 0.49 C ATOM 895 OD1 ASP A 64 -17.939 10.072 2.897 1.00 0.49 O ATOM 896 OD2 ASP A 64 -19.387 8.647 2.052 1.00 0.52 O ATOM 0 H ASP A 64 -17.093 7.930 1.025 1.00 0.41 H new ATOM 0 HA ASP A 64 -17.152 9.823 -1.211 1.00 0.45 H new ATOM 0 HB2 ASP A 64 -18.296 11.257 0.615 1.00 0.49 H new ATOM 0 HB3 ASP A 64 -19.184 9.921 -0.092 1.00 0.49 H new ATOM 901 N PHE A 65 -15.917 11.797 0.198 1.00 0.51 N ATOM 902 CA PHE A 65 -14.823 12.691 0.567 1.00 0.54 C ATOM 903 C PHE A 65 -14.524 12.710 2.076 1.00 0.54 C ATOM 904 O PHE A 65 -13.364 12.559 2.458 1.00 0.54 O ATOM 905 CB PHE A 65 -15.100 14.108 0.060 1.00 0.61 C ATOM 906 CG PHE A 65 -13.877 14.791 -0.478 1.00 0.74 C ATOM 907 CD1 PHE A 65 -13.384 14.466 -1.732 1.00 0.83 C ATOM 908 CD2 PHE A 65 -13.215 15.749 0.272 1.00 0.97 C ATOM 909 CE1 PHE A 65 -12.252 15.085 -2.230 1.00 1.04 C ATOM 910 CE2 PHE A 65 -12.082 16.370 -0.217 1.00 1.15 C ATOM 911 CZ PHE A 65 -11.599 16.039 -1.470 1.00 1.15 C ATOM 0 H PHE A 65 -16.738 12.276 -0.172 1.00 0.51 H new ATOM 0 HA PHE A 65 -13.929 12.295 0.085 1.00 0.54 H new ATOM 0 HB2 PHE A 65 -15.859 14.066 -0.722 1.00 0.61 H new ATOM 0 HB3 PHE A 65 -15.513 14.704 0.874 1.00 0.61 H new ATOM 0 HD1 PHE A 65 -13.890 13.720 -2.327 1.00 0.83 H new ATOM 0 HD2 PHE A 65 -13.589 16.013 1.250 1.00 0.97 H new ATOM 0 HE1 PHE A 65 -11.879 14.824 -3.209 1.00 1.04 H new ATOM 0 HE2 PHE A 65 -11.574 17.114 0.379 1.00 1.15 H new ATOM 0 HZ PHE A 65 -10.714 16.524 -1.854 1.00 1.15 H new ATOM 921 N PRO A 66 -15.528 12.917 2.962 1.00 0.55 N ATOM 922 CA PRO A 66 -15.289 12.941 4.417 1.00 0.56 C ATOM 923 C PRO A 66 -14.521 11.717 4.910 1.00 0.50 C ATOM 924 O PRO A 66 -13.550 11.844 5.659 1.00 0.52 O ATOM 925 CB PRO A 66 -16.699 12.962 5.006 1.00 0.59 C ATOM 926 CG PRO A 66 -17.535 13.601 3.958 1.00 0.63 C ATOM 927 CD PRO A 66 -16.950 13.169 2.642 1.00 0.58 C ATOM 0 HA PRO A 66 -14.674 13.791 4.711 1.00 0.56 H new ATOM 0 HB2 PRO A 66 -17.049 11.955 5.232 1.00 0.59 H new ATOM 0 HB3 PRO A 66 -16.731 13.527 5.937 1.00 0.59 H new ATOM 0 HG2 PRO A 66 -18.576 13.288 4.044 1.00 0.63 H new ATOM 0 HG3 PRO A 66 -17.520 14.687 4.054 1.00 0.63 H new ATOM 0 HD2 PRO A 66 -17.440 12.274 2.260 1.00 0.58 H new ATOM 0 HD3 PRO A 66 -17.059 13.942 1.881 1.00 0.58 H new ATOM 935 N GLU A 67 -14.950 10.535 4.477 1.00 0.46 N ATOM 936 CA GLU A 67 -14.294 9.292 4.872 1.00 0.43 C ATOM 937 C GLU A 67 -12.934 9.164 4.195 1.00 0.43 C ATOM 938 O GLU A 67 -12.006 8.601 4.764 1.00 0.44 O ATOM 939 CB GLU A 67 -15.157 8.086 4.499 1.00 0.41 C ATOM 940 CG GLU A 67 -16.479 8.013 5.239 1.00 0.43 C ATOM 941 CD GLU A 67 -17.524 7.222 4.481 1.00 0.43 C ATOM 942 OE1 GLU A 67 -17.347 6.959 3.277 1.00 0.39 O ATOM 943 OE2 GLU A 67 -18.557 6.858 5.077 1.00 0.51 O ATOM 0 H GLU A 67 -15.748 10.412 3.853 1.00 0.46 H new ATOM 0 HA GLU A 67 -14.157 9.316 5.953 1.00 0.43 H new ATOM 0 HB2 GLU A 67 -15.355 8.113 3.427 1.00 0.41 H new ATOM 0 HB3 GLU A 67 -14.592 7.175 4.696 1.00 0.41 H new ATOM 0 HG2 GLU A 67 -16.320 7.557 6.216 1.00 0.43 H new ATOM 0 HG3 GLU A 67 -16.849 9.023 5.415 1.00 0.43 H new ATOM 950 N PHE A 68 -12.828 9.733 3.004 1.00 0.44 N ATOM 951 CA PHE A 68 -11.595 9.671 2.229 1.00 0.46 C ATOM 952 C PHE A 68 -10.480 10.427 2.944 1.00 0.48 C ATOM 953 O PHE A 68 -9.332 9.987 2.961 1.00 0.48 O ATOM 954 CB PHE A 68 -11.803 10.241 0.826 1.00 0.50 C ATOM 955 CG PHE A 68 -10.626 10.037 -0.083 1.00 0.73 C ATOM 956 CD1 PHE A 68 -10.423 8.823 -0.716 1.00 0.94 C ATOM 957 CD2 PHE A 68 -9.720 11.063 -0.296 1.00 1.02 C ATOM 958 CE1 PHE A 68 -9.336 8.636 -1.548 1.00 1.29 C ATOM 959 CE2 PHE A 68 -8.630 10.884 -1.126 1.00 1.34 C ATOM 960 CZ PHE A 68 -8.438 9.668 -1.754 1.00 1.44 C ATOM 0 H PHE A 68 -13.584 10.246 2.550 1.00 0.44 H new ATOM 0 HA PHE A 68 -11.307 8.624 2.134 1.00 0.46 H new ATOM 0 HB2 PHE A 68 -12.682 9.775 0.380 1.00 0.50 H new ATOM 0 HB3 PHE A 68 -12.012 11.308 0.903 1.00 0.50 H new ATOM 0 HD1 PHE A 68 -11.121 8.014 -0.558 1.00 0.94 H new ATOM 0 HD2 PHE A 68 -9.867 12.015 0.193 1.00 1.02 H new ATOM 0 HE1 PHE A 68 -9.187 7.685 -2.037 1.00 1.29 H new ATOM 0 HE2 PHE A 68 -7.930 11.692 -1.283 1.00 1.34 H new ATOM 0 HZ PHE A 68 -7.588 9.524 -2.405 1.00 1.44 H new ATOM 970 N LEU A 69 -10.828 11.558 3.546 1.00 0.52 N ATOM 971 CA LEU A 69 -9.854 12.374 4.266 1.00 0.56 C ATOM 972 C LEU A 69 -9.344 11.642 5.497 1.00 0.51 C ATOM 973 O LEU A 69 -8.135 11.522 5.704 1.00 0.50 O ATOM 974 CB LEU A 69 -10.471 13.711 4.673 1.00 0.66 C ATOM 975 CG LEU A 69 -10.987 14.565 3.513 1.00 0.75 C ATOM 976 CD1 LEU A 69 -11.843 15.707 4.039 1.00 0.89 C ATOM 977 CD2 LEU A 69 -9.825 15.102 2.686 1.00 0.82 C ATOM 0 H LEU A 69 -11.777 11.932 3.551 1.00 0.52 H new ATOM 0 HA LEU A 69 -9.013 12.563 3.599 1.00 0.56 H new ATOM 0 HB2 LEU A 69 -11.296 13.519 5.359 1.00 0.66 H new ATOM 0 HB3 LEU A 69 -9.726 14.285 5.224 1.00 0.66 H new ATOM 0 HG LEU A 69 -11.604 13.939 2.868 1.00 0.75 H new ATOM 0 HD11 LEU A 69 -12.203 16.306 3.203 1.00 0.89 H new ATOM 0 HD12 LEU A 69 -12.693 15.302 4.588 1.00 0.89 H new ATOM 0 HD13 LEU A 69 -11.247 16.332 4.703 1.00 0.89 H new ATOM 0 HD21 LEU A 69 -10.211 15.707 1.866 1.00 0.82 H new ATOM 0 HD22 LEU A 69 -9.182 15.715 3.317 1.00 0.82 H new ATOM 0 HD23 LEU A 69 -9.250 14.269 2.283 1.00 0.82 H new ATOM 989 N THR A 70 -10.267 11.148 6.310 1.00 0.52 N ATOM 990 CA THR A 70 -9.905 10.419 7.512 1.00 0.54 C ATOM 991 C THR A 70 -9.163 9.131 7.155 1.00 0.47 C ATOM 992 O THR A 70 -8.139 8.798 7.759 1.00 0.53 O ATOM 993 CB THR A 70 -11.153 10.079 8.340 1.00 0.62 C ATOM 994 OG1 THR A 70 -12.168 11.065 8.103 1.00 0.63 O ATOM 995 CG2 THR A 70 -10.817 10.035 9.820 1.00 0.74 C ATOM 0 H THR A 70 -11.271 11.240 6.157 1.00 0.52 H new ATOM 0 HA THR A 70 -9.250 11.057 8.105 1.00 0.54 H new ATOM 0 HB THR A 70 -11.517 9.097 8.038 1.00 0.62 H new ATOM 0 HG1 THR A 70 -12.965 10.847 8.630 1.00 0.63 H new ATOM 0 HG21 THR A 70 -11.714 9.793 10.390 1.00 0.74 H new ATOM 0 HG22 THR A 70 -10.057 9.274 9.998 1.00 0.74 H new ATOM 0 HG23 THR A 70 -10.438 11.007 10.136 1.00 0.74 H new ATOM 1003 N MET A 71 -9.686 8.418 6.160 1.00 0.42 N ATOM 1004 CA MET A 71 -9.087 7.173 5.704 1.00 0.43 C ATOM 1005 C MET A 71 -7.658 7.407 5.232 1.00 0.39 C ATOM 1006 O MET A 71 -6.752 6.641 5.553 1.00 0.41 O ATOM 1007 CB MET A 71 -9.905 6.570 4.556 1.00 0.51 C ATOM 1008 CG MET A 71 -9.294 5.310 3.972 1.00 0.71 C ATOM 1009 SD MET A 71 -9.517 5.174 2.184 1.00 0.69 S ATOM 1010 CE MET A 71 -8.574 6.580 1.593 1.00 0.68 C ATOM 0 H MET A 71 -10.529 8.687 5.653 1.00 0.42 H new ATOM 0 HA MET A 71 -9.079 6.479 6.544 1.00 0.43 H new ATOM 0 HB2 MET A 71 -10.909 6.344 4.916 1.00 0.51 H new ATOM 0 HB3 MET A 71 -10.009 7.313 3.766 1.00 0.51 H new ATOM 0 HG2 MET A 71 -8.229 5.291 4.201 1.00 0.71 H new ATOM 0 HG3 MET A 71 -9.740 4.440 4.455 1.00 0.71 H new ATOM 0 HE1 MET A 71 -8.142 6.345 0.620 1.00 0.68 H new ATOM 0 HE2 MET A 71 -9.231 7.445 1.499 1.00 0.68 H new ATOM 0 HE3 MET A 71 -7.775 6.806 2.300 1.00 0.68 H new ATOM 1020 N MET A 72 -7.466 8.483 4.489 1.00 0.38 N ATOM 1021 CA MET A 72 -6.158 8.819 3.958 1.00 0.40 C ATOM 1022 C MET A 72 -5.199 9.161 5.087 1.00 0.42 C ATOM 1023 O MET A 72 -4.065 8.687 5.109 1.00 0.45 O ATOM 1024 CB MET A 72 -6.271 9.984 2.979 1.00 0.43 C ATOM 1025 CG MET A 72 -5.276 9.915 1.836 1.00 0.58 C ATOM 1026 SD MET A 72 -3.600 10.318 2.350 1.00 1.18 S ATOM 1027 CE MET A 72 -3.794 12.062 2.714 1.00 1.69 C ATOM 0 H MET A 72 -8.204 9.141 4.239 1.00 0.38 H new ATOM 0 HA MET A 72 -5.764 7.954 3.424 1.00 0.40 H new ATOM 0 HB2 MET A 72 -7.281 10.007 2.570 1.00 0.43 H new ATOM 0 HB3 MET A 72 -6.125 10.919 3.521 1.00 0.43 H new ATOM 0 HG2 MET A 72 -5.289 8.913 1.408 1.00 0.58 H new ATOM 0 HG3 MET A 72 -5.585 10.602 1.048 1.00 0.58 H new ATOM 0 HE1 MET A 72 -2.820 12.551 2.683 1.00 1.69 H new ATOM 0 HE2 MET A 72 -4.452 12.517 1.974 1.00 1.69 H new ATOM 0 HE3 MET A 72 -4.228 12.180 3.707 1.00 1.69 H new ATOM 1037 N ALA A 73 -5.665 9.963 6.042 1.00 0.45 N ATOM 1038 CA ALA A 73 -4.847 10.341 7.187 1.00 0.53 C ATOM 1039 C ALA A 73 -4.429 9.095 7.968 1.00 0.51 C ATOM 1040 O ALA A 73 -3.362 9.056 8.579 1.00 0.55 O ATOM 1041 CB ALA A 73 -5.608 11.313 8.079 1.00 0.63 C ATOM 0 H ALA A 73 -6.604 10.362 6.044 1.00 0.45 H new ATOM 0 HA ALA A 73 -3.946 10.840 6.831 1.00 0.53 H new ATOM 0 HB1 ALA A 73 -4.986 11.588 8.931 1.00 0.63 H new ATOM 0 HB2 ALA A 73 -5.860 12.208 7.510 1.00 0.63 H new ATOM 0 HB3 ALA A 73 -6.523 10.840 8.435 1.00 0.63 H new ATOM 1047 N ARG A 74 -5.289 8.076 7.928 1.00 0.49 N ATOM 1048 CA ARG A 74 -5.041 6.816 8.612 1.00 0.53 C ATOM 1049 C ARG A 74 -3.908 6.024 7.940 1.00 0.53 C ATOM 1050 O ARG A 74 -3.381 5.084 8.531 1.00 0.81 O ATOM 1051 CB ARG A 74 -6.314 5.956 8.627 1.00 0.59 C ATOM 1052 CG ARG A 74 -6.303 4.858 9.686 1.00 0.77 C ATOM 1053 CD ARG A 74 -6.753 3.510 9.127 1.00 1.02 C ATOM 1054 NE ARG A 74 -8.181 3.484 8.800 1.00 0.96 N ATOM 1055 CZ ARG A 74 -8.788 2.475 8.156 1.00 1.22 C ATOM 1056 NH1 ARG A 74 -8.102 1.411 7.760 1.00 1.45 N ATOM 1057 NH2 ARG A 74 -10.089 2.534 7.903 1.00 1.44 N ATOM 0 H ARG A 74 -6.173 8.105 7.421 1.00 0.49 H new ATOM 0 HA ARG A 74 -4.743 7.054 9.633 1.00 0.53 H new ATOM 0 HB2 ARG A 74 -7.176 6.602 8.796 1.00 0.59 H new ATOM 0 HB3 ARG A 74 -6.445 5.500 7.646 1.00 0.59 H new ATOM 0 HG2 ARG A 74 -5.298 4.762 10.096 1.00 0.77 H new ATOM 0 HG3 ARG A 74 -6.957 5.144 10.510 1.00 0.77 H new ATOM 0 HD2 ARG A 74 -6.175 3.281 8.232 1.00 1.02 H new ATOM 0 HD3 ARG A 74 -6.536 2.728 9.855 1.00 1.02 H new ATOM 0 HE ARG A 74 -8.750 4.283 9.079 1.00 0.96 H new ATOM 0 HH11 ARG A 74 -7.100 1.352 7.944 1.00 1.45 H new ATOM 0 HH12 ARG A 74 -8.576 0.651 7.272 1.00 1.45 H new ATOM 0 HH21 ARG A 74 -10.630 3.347 8.198 1.00 1.44 H new ATOM 0 HH22 ARG A 74 -10.549 1.766 7.413 1.00 1.44 H new ATOM 1071 N LYS A 75 -3.536 6.391 6.721 1.00 0.42 N ATOM 1072 CA LYS A 75 -2.479 5.673 6.028 1.00 0.47 C ATOM 1073 C LYS A 75 -1.272 6.560 5.759 1.00 0.56 C ATOM 1074 O LYS A 75 -0.131 6.119 5.894 1.00 0.78 O ATOM 1075 CB LYS A 75 -3.006 5.059 4.733 1.00 0.52 C ATOM 1076 CG LYS A 75 -2.167 3.898 4.236 1.00 0.72 C ATOM 1077 CD LYS A 75 -1.825 2.919 5.356 1.00 0.79 C ATOM 1078 CE LYS A 75 -3.071 2.418 6.067 1.00 0.86 C ATOM 1079 NZ LYS A 75 -3.785 1.374 5.286 1.00 0.83 N ATOM 0 H LYS A 75 -3.943 7.168 6.200 1.00 0.42 H new ATOM 0 HA LYS A 75 -2.146 4.867 6.682 1.00 0.47 H new ATOM 0 HB2 LYS A 75 -4.029 4.718 4.891 1.00 0.52 H new ATOM 0 HB3 LYS A 75 -3.042 5.829 3.962 1.00 0.52 H new ATOM 0 HG2 LYS A 75 -2.706 3.373 3.447 1.00 0.72 H new ATOM 0 HG3 LYS A 75 -1.246 4.279 3.794 1.00 0.72 H new ATOM 0 HD2 LYS A 75 -1.276 2.072 4.944 1.00 0.79 H new ATOM 0 HD3 LYS A 75 -1.167 3.405 6.076 1.00 0.79 H new ATOM 0 HE2 LYS A 75 -2.793 2.014 7.041 1.00 0.86 H new ATOM 0 HE3 LYS A 75 -3.744 3.256 6.250 1.00 0.86 H new ATOM 0 HZ1 LYS A 75 -4.777 1.328 5.593 1.00 0.83 H new ATOM 0 HZ2 LYS A 75 -3.747 1.610 4.274 1.00 0.83 H new ATOM 0 HZ3 LYS A 75 -3.331 0.452 5.443 1.00 0.83 H new ATOM 1093 N MET A 76 -1.531 7.806 5.390 1.00 0.58 N ATOM 1094 CA MET A 76 -0.480 8.784 5.110 1.00 0.72 C ATOM 1095 C MET A 76 0.528 8.845 6.259 1.00 0.71 C ATOM 1096 O MET A 76 1.730 9.003 6.045 1.00 0.80 O ATOM 1097 CB MET A 76 -1.120 10.158 4.914 1.00 0.92 C ATOM 1098 CG MET A 76 -0.172 11.234 4.404 1.00 1.20 C ATOM 1099 SD MET A 76 0.091 12.547 5.612 1.00 1.55 S ATOM 1100 CE MET A 76 -1.593 13.087 5.900 1.00 1.68 C ATOM 0 H MET A 76 -2.476 8.172 5.275 1.00 0.58 H new ATOM 0 HA MET A 76 0.051 8.484 4.206 1.00 0.72 H new ATOM 0 HB2 MET A 76 -1.949 10.061 4.213 1.00 0.92 H new ATOM 0 HB3 MET A 76 -1.543 10.486 5.864 1.00 0.92 H new ATOM 0 HG2 MET A 76 0.786 10.780 4.151 1.00 1.20 H new ATOM 0 HG3 MET A 76 -0.574 11.663 3.486 1.00 1.20 H new ATOM 0 HE1 MET A 76 -1.606 14.164 6.069 1.00 1.68 H new ATOM 0 HE2 MET A 76 -2.205 12.849 5.030 1.00 1.68 H new ATOM 0 HE3 MET A 76 -1.994 12.577 6.776 1.00 1.68 H new ATOM 1110 N LYS A 77 0.023 8.689 7.472 1.00 0.72 N ATOM 1111 CA LYS A 77 0.853 8.739 8.664 1.00 0.86 C ATOM 1112 C LYS A 77 0.705 7.461 9.473 1.00 0.77 C ATOM 1113 O LYS A 77 0.810 7.485 10.699 1.00 0.85 O ATOM 1114 CB LYS A 77 0.450 9.938 9.521 1.00 1.11 C ATOM 1115 CG LYS A 77 0.513 11.267 8.785 1.00 1.32 C ATOM 1116 CD LYS A 77 1.944 11.754 8.616 1.00 1.47 C ATOM 1117 CE LYS A 77 2.540 12.202 9.939 1.00 1.65 C ATOM 1118 NZ LYS A 77 3.911 12.754 9.782 1.00 1.95 N ATOM 0 H LYS A 77 -0.967 8.525 7.657 1.00 0.72 H new ATOM 0 HA LYS A 77 1.895 8.840 8.359 1.00 0.86 H new ATOM 0 HB2 LYS A 77 -0.564 9.785 9.889 1.00 1.11 H new ATOM 0 HB3 LYS A 77 1.102 9.985 10.393 1.00 1.11 H new ATOM 0 HG2 LYS A 77 0.047 11.162 7.805 1.00 1.32 H new ATOM 0 HG3 LYS A 77 -0.062 12.013 9.333 1.00 1.32 H new ATOM 0 HD2 LYS A 77 2.554 10.955 8.193 1.00 1.47 H new ATOM 0 HD3 LYS A 77 1.966 12.582 7.907 1.00 1.47 H new ATOM 0 HE2 LYS A 77 1.896 12.958 10.388 1.00 1.65 H new ATOM 0 HE3 LYS A 77 2.567 11.357 10.627 1.00 1.65 H new ATOM 0 HZ1 LYS A 77 4.276 13.046 10.711 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 4.534 12.026 9.378 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 3.883 13.577 9.147 1.00 1.95 H new ATOM 1132 N ASP A 78 0.461 6.352 8.789 1.00 0.83 N ATOM 1133 CA ASP A 78 0.299 5.075 9.465 1.00 0.83 C ATOM 1134 C ASP A 78 1.627 4.556 9.991 1.00 0.81 C ATOM 1135 O ASP A 78 2.566 4.318 9.225 1.00 1.06 O ATOM 1136 CB ASP A 78 -0.324 4.028 8.547 1.00 1.15 C ATOM 1137 CG ASP A 78 -0.229 2.629 9.131 1.00 1.18 C ATOM 1138 OD1 ASP A 78 -0.518 2.463 10.333 1.00 1.18 O ATOM 1139 OD2 ASP A 78 0.147 1.695 8.393 1.00 1.41 O ATOM 0 H ASP A 78 0.372 6.311 7.774 1.00 0.83 H new ATOM 0 HA ASP A 78 -0.373 5.249 10.305 1.00 0.83 H new ATOM 0 HB2 ASP A 78 -1.371 4.277 8.371 1.00 1.15 H new ATOM 0 HB3 ASP A 78 0.176 4.051 7.579 1.00 1.15 H new ATOM 1144 N THR A 79 1.700 4.419 11.303 1.00 0.72 N ATOM 1145 CA THR A 79 2.885 3.911 11.970 1.00 0.95 C ATOM 1146 C THR A 79 2.463 3.036 13.149 1.00 0.92 C ATOM 1147 O THR A 79 3.256 2.736 14.043 1.00 1.10 O ATOM 1148 CB THR A 79 3.799 5.061 12.445 1.00 1.28 C ATOM 1149 OG1 THR A 79 3.010 6.121 13.000 1.00 1.45 O ATOM 1150 CG2 THR A 79 4.632 5.594 11.285 1.00 1.43 C ATOM 0 H THR A 79 0.937 4.657 11.937 1.00 0.72 H new ATOM 0 HA THR A 79 3.458 3.314 11.261 1.00 0.95 H new ATOM 0 HB THR A 79 4.470 4.673 13.212 1.00 1.28 H new ATOM 0 HG1 THR A 79 3.599 6.845 13.300 1.00 1.45 H new ATOM 0 HG21 THR A 79 5.270 6.404 11.638 1.00 1.43 H new ATOM 0 HG22 THR A 79 5.252 4.792 10.883 1.00 1.43 H new ATOM 0 HG23 THR A 79 3.970 5.967 10.503 1.00 1.43 H new ATOM 1158 N ASP A 80 1.195 2.635 13.116 1.00 0.79 N ATOM 1159 CA ASP A 80 0.591 1.778 14.140 1.00 0.83 C ATOM 1160 C ASP A 80 -0.178 0.690 13.427 1.00 0.80 C ATOM 1161 O ASP A 80 -1.198 0.194 13.914 1.00 1.18 O ATOM 1162 CB ASP A 80 -0.380 2.561 15.034 1.00 1.03 C ATOM 1163 CG ASP A 80 0.293 3.626 15.861 1.00 1.39 C ATOM 1164 OD1 ASP A 80 0.394 4.770 15.389 1.00 1.69 O ATOM 1165 OD2 ASP A 80 0.708 3.331 17.001 1.00 1.78 O ATOM 0 H ASP A 80 0.549 2.897 12.371 1.00 0.79 H new ATOM 0 HA ASP A 80 1.379 1.373 14.775 1.00 0.83 H new ATOM 0 HB2 ASP A 80 -1.143 3.025 14.409 1.00 1.03 H new ATOM 0 HB3 ASP A 80 -0.892 1.865 15.699 1.00 1.03 H new ATOM 1170 N SER A 81 0.337 0.356 12.257 1.00 0.74 N ATOM 1171 CA SER A 81 -0.242 -0.622 11.355 1.00 0.82 C ATOM 1172 C SER A 81 -0.776 -1.874 12.046 1.00 0.75 C ATOM 1173 O SER A 81 -0.018 -2.690 12.574 1.00 0.89 O ATOM 1174 CB SER A 81 0.811 -1.009 10.323 1.00 1.10 C ATOM 1175 OG SER A 81 1.622 0.103 9.986 1.00 1.10 O ATOM 0 H SER A 81 1.197 0.771 11.898 1.00 0.74 H new ATOM 0 HA SER A 81 -1.109 -0.153 10.889 1.00 0.82 H new ATOM 0 HB2 SER A 81 1.434 -1.812 10.717 1.00 1.10 H new ATOM 0 HB3 SER A 81 0.324 -1.394 9.427 1.00 1.10 H new ATOM 0 HG SER A 81 1.224 0.580 9.228 1.00 1.10 H new ATOM 1181 N GLU A 82 -2.096 -2.007 12.042 1.00 0.69 N ATOM 1182 CA GLU A 82 -2.752 -3.174 12.605 1.00 0.76 C ATOM 1183 C GLU A 82 -3.319 -4.010 11.462 1.00 0.64 C ATOM 1184 O GLU A 82 -2.740 -5.024 11.073 1.00 0.78 O ATOM 1185 CB GLU A 82 -3.854 -2.763 13.583 1.00 0.90 C ATOM 1186 CG GLU A 82 -4.497 -3.938 14.306 1.00 1.13 C ATOM 1187 CD GLU A 82 -3.505 -4.747 15.119 1.00 1.39 C ATOM 1188 OE1 GLU A 82 -2.562 -5.318 14.529 1.00 1.72 O ATOM 1189 OE2 GLU A 82 -3.661 -4.807 16.354 1.00 1.86 O ATOM 0 H GLU A 82 -2.735 -1.314 11.652 1.00 0.69 H new ATOM 0 HA GLU A 82 -2.029 -3.766 13.167 1.00 0.76 H new ATOM 0 HB2 GLU A 82 -3.436 -2.078 14.321 1.00 0.90 H new ATOM 0 HB3 GLU A 82 -4.625 -2.216 13.040 1.00 0.90 H new ATOM 0 HG2 GLU A 82 -5.282 -3.567 14.965 1.00 1.13 H new ATOM 0 HG3 GLU A 82 -4.976 -4.589 13.575 1.00 1.13 H new ATOM 1196 N GLU A 83 -4.441 -3.569 10.904 1.00 0.53 N ATOM 1197 CA GLU A 83 -5.041 -4.267 9.779 1.00 0.52 C ATOM 1198 C GLU A 83 -4.463 -3.706 8.484 1.00 0.45 C ATOM 1199 O GLU A 83 -4.469 -4.361 7.441 1.00 0.48 O ATOM 1200 CB GLU A 83 -6.563 -4.122 9.804 1.00 0.68 C ATOM 1201 CG GLU A 83 -7.213 -4.754 11.022 1.00 1.37 C ATOM 1202 CD GLU A 83 -8.694 -5.003 10.838 1.00 1.96 C ATOM 1203 OE1 GLU A 83 -9.060 -5.926 10.079 1.00 2.40 O ATOM 1204 OE2 GLU A 83 -9.502 -4.280 11.456 1.00 2.70 O ATOM 0 H GLU A 83 -4.948 -2.739 11.211 1.00 0.53 H new ATOM 0 HA GLU A 83 -4.811 -5.330 9.845 1.00 0.52 H new ATOM 0 HB2 GLU A 83 -6.819 -3.063 9.774 1.00 0.68 H new ATOM 0 HB3 GLU A 83 -6.978 -4.576 8.904 1.00 0.68 H new ATOM 0 HG2 GLU A 83 -6.716 -5.698 11.244 1.00 1.37 H new ATOM 0 HG3 GLU A 83 -7.064 -4.105 11.885 1.00 1.37 H new ATOM 1211 N GLU A 84 -3.936 -2.486 8.592 1.00 0.44 N ATOM 1212 CA GLU A 84 -3.330 -1.762 7.473 1.00 0.46 C ATOM 1213 C GLU A 84 -2.270 -2.600 6.753 1.00 0.41 C ATOM 1214 O GLU A 84 -2.187 -2.579 5.517 1.00 0.46 O ATOM 1215 CB GLU A 84 -2.700 -0.458 7.970 1.00 0.56 C ATOM 1216 CG GLU A 84 -3.575 0.326 8.944 1.00 0.70 C ATOM 1217 CD GLU A 84 -5.041 0.333 8.550 1.00 0.73 C ATOM 1218 OE1 GLU A 84 -5.386 0.976 7.538 1.00 1.27 O ATOM 1219 OE2 GLU A 84 -5.846 -0.317 9.246 1.00 1.26 O ATOM 0 H GLU A 84 -3.917 -1.966 9.469 1.00 0.44 H new ATOM 0 HA GLU A 84 -4.125 -1.543 6.760 1.00 0.46 H new ATOM 0 HB2 GLU A 84 -1.751 -0.687 8.455 1.00 0.56 H new ATOM 0 HB3 GLU A 84 -2.475 0.174 7.111 1.00 0.56 H new ATOM 0 HG2 GLU A 84 -3.474 -0.103 9.941 1.00 0.70 H new ATOM 0 HG3 GLU A 84 -3.215 1.353 9.002 1.00 0.70 H new ATOM 1226 N ILE A 85 -1.451 -3.327 7.525 1.00 0.38 N ATOM 1227 CA ILE A 85 -0.406 -4.175 6.947 1.00 0.42 C ATOM 1228 C ILE A 85 -1.023 -5.156 5.976 1.00 0.40 C ATOM 1229 O ILE A 85 -0.580 -5.293 4.843 1.00 0.41 O ATOM 1230 CB ILE A 85 0.354 -4.998 8.012 1.00 0.53 C ATOM 1231 CG1 ILE A 85 0.815 -4.112 9.173 1.00 1.17 C ATOM 1232 CG2 ILE A 85 1.546 -5.707 7.377 1.00 1.38 C ATOM 1233 CD1 ILE A 85 1.305 -4.891 10.377 1.00 1.50 C ATOM 0 H ILE A 85 -1.493 -3.344 8.544 1.00 0.38 H new ATOM 0 HA ILE A 85 0.297 -3.503 6.454 1.00 0.42 H new ATOM 0 HB ILE A 85 -0.330 -5.746 8.414 1.00 0.53 H new ATOM 0 HG12 ILE A 85 1.615 -3.458 8.824 1.00 1.17 H new ATOM 0 HG13 ILE A 85 -0.011 -3.470 9.479 1.00 1.17 H new ATOM 0 HG21 ILE A 85 2.074 -6.283 8.137 1.00 1.38 H new ATOM 0 HG22 ILE A 85 1.195 -6.377 6.592 1.00 1.38 H new ATOM 0 HG23 ILE A 85 2.222 -4.968 6.948 1.00 1.38 H new ATOM 0 HD11 ILE A 85 1.615 -4.197 11.158 1.00 1.50 H new ATOM 0 HD12 ILE A 85 0.501 -5.525 10.752 1.00 1.50 H new ATOM 0 HD13 ILE A 85 2.152 -5.513 10.088 1.00 1.50 H new ATOM 1245 N ARG A 86 -2.108 -5.812 6.424 1.00 0.41 N ATOM 1246 CA ARG A 86 -2.786 -6.807 5.640 1.00 0.44 C ATOM 1247 C ARG A 86 -3.391 -6.219 4.370 1.00 0.42 C ATOM 1248 O ARG A 86 -3.302 -6.831 3.308 1.00 0.44 O ATOM 1249 CB ARG A 86 -3.882 -7.442 6.496 1.00 0.50 C ATOM 1250 CG ARG A 86 -3.809 -8.957 6.552 1.00 0.89 C ATOM 1251 CD ARG A 86 -2.622 -9.430 7.381 1.00 1.26 C ATOM 1252 NE ARG A 86 -2.761 -10.828 7.781 1.00 1.63 N ATOM 1253 CZ ARG A 86 -2.307 -11.332 8.929 1.00 2.02 C ATOM 1254 NH1 ARG A 86 -1.625 -10.570 9.783 1.00 2.11 N ATOM 1255 NH2 ARG A 86 -2.524 -12.606 9.218 1.00 2.57 N ATOM 0 H ARG A 86 -2.523 -5.653 7.342 1.00 0.41 H new ATOM 0 HA ARG A 86 -2.059 -7.558 5.331 1.00 0.44 H new ATOM 0 HB2 ARG A 86 -3.815 -7.046 7.509 1.00 0.50 H new ATOM 0 HB3 ARG A 86 -4.855 -7.148 6.102 1.00 0.50 H new ATOM 0 HG2 ARG A 86 -4.732 -9.351 6.978 1.00 0.89 H new ATOM 0 HG3 ARG A 86 -3.729 -9.356 5.541 1.00 0.89 H new ATOM 0 HD2 ARG A 86 -1.705 -9.306 6.805 1.00 1.26 H new ATOM 0 HD3 ARG A 86 -2.528 -8.806 8.269 1.00 1.26 H new ATOM 0 HE ARG A 86 -3.237 -11.461 7.139 1.00 1.63 H new ATOM 0 HH11 ARG A 86 -1.446 -9.591 9.561 1.00 2.11 H new ATOM 0 HH12 ARG A 86 -1.282 -10.966 10.658 1.00 2.11 H new ATOM 0 HH21 ARG A 86 -3.036 -13.197 8.564 1.00 2.57 H new ATOM 0 HH22 ARG A 86 -2.179 -12.996 10.095 1.00 2.57 H new ATOM 1269 N GLU A 87 -4.029 -5.044 4.479 1.00 0.42 N ATOM 1270 CA GLU A 87 -4.621 -4.372 3.321 1.00 0.44 C ATOM 1271 C GLU A 87 -3.665 -4.303 2.146 1.00 0.43 C ATOM 1272 O GLU A 87 -3.885 -4.921 1.101 1.00 0.45 O ATOM 1273 CB GLU A 87 -5.052 -2.953 3.695 1.00 0.48 C ATOM 1274 CG GLU A 87 -5.483 -2.116 2.495 1.00 0.47 C ATOM 1275 CD GLU A 87 -5.593 -0.650 2.830 1.00 0.64 C ATOM 1276 OE1 GLU A 87 -4.553 -0.011 3.085 1.00 1.47 O ATOM 1277 OE2 GLU A 87 -6.725 -0.134 2.827 1.00 0.92 O ATOM 0 H GLU A 87 -4.146 -4.542 5.359 1.00 0.42 H new ATOM 0 HA GLU A 87 -5.486 -4.963 3.021 1.00 0.44 H new ATOM 0 HB2 GLU A 87 -5.876 -3.007 4.406 1.00 0.48 H new ATOM 0 HB3 GLU A 87 -4.227 -2.452 4.201 1.00 0.48 H new ATOM 0 HG2 GLU A 87 -4.765 -2.249 1.686 1.00 0.47 H new ATOM 0 HG3 GLU A 87 -6.445 -2.476 2.130 1.00 0.47 H new ATOM 1284 N ALA A 88 -2.569 -3.569 2.327 1.00 0.41 N ATOM 1285 CA ALA A 88 -1.589 -3.408 1.259 1.00 0.40 C ATOM 1286 C ALA A 88 -0.879 -4.718 0.947 1.00 0.40 C ATOM 1287 O ALA A 88 -0.395 -4.922 -0.164 1.00 0.41 O ATOM 1288 CB ALA A 88 -0.578 -2.336 1.608 1.00 0.41 C ATOM 0 H ALA A 88 -2.340 -3.082 3.193 1.00 0.41 H new ATOM 0 HA ALA A 88 -2.133 -3.098 0.367 1.00 0.40 H new ATOM 0 HB1 ALA A 88 0.141 -2.236 0.795 1.00 0.41 H new ATOM 0 HB2 ALA A 88 -1.092 -1.386 1.757 1.00 0.41 H new ATOM 0 HB3 ALA A 88 -0.055 -2.613 2.523 1.00 0.41 H new ATOM 1294 N PHE A 89 -0.862 -5.627 1.912 1.00 0.39 N ATOM 1295 CA PHE A 89 -0.208 -6.907 1.717 1.00 0.41 C ATOM 1296 C PHE A 89 -1.031 -7.779 0.793 1.00 0.43 C ATOM 1297 O PHE A 89 -0.497 -8.512 -0.023 1.00 0.46 O ATOM 1298 CB PHE A 89 0.004 -7.629 3.047 1.00 0.42 C ATOM 1299 CG PHE A 89 1.339 -8.309 3.148 1.00 0.40 C ATOM 1300 CD1 PHE A 89 2.509 -7.589 2.984 1.00 0.52 C ATOM 1301 CD2 PHE A 89 1.421 -9.670 3.399 1.00 0.63 C ATOM 1302 CE1 PHE A 89 3.738 -8.211 3.070 1.00 0.64 C ATOM 1303 CE2 PHE A 89 2.648 -10.298 3.487 1.00 0.75 C ATOM 1304 CZ PHE A 89 3.810 -9.567 3.323 1.00 0.68 C ATOM 0 H PHE A 89 -1.290 -5.501 2.829 1.00 0.39 H new ATOM 0 HA PHE A 89 0.767 -6.718 1.268 1.00 0.41 H new ATOM 0 HB2 PHE A 89 -0.093 -6.911 3.862 1.00 0.42 H new ATOM 0 HB3 PHE A 89 -0.784 -8.370 3.180 1.00 0.42 H new ATOM 0 HD1 PHE A 89 2.460 -6.528 2.786 1.00 0.52 H new ATOM 0 HD2 PHE A 89 0.516 -10.245 3.527 1.00 0.63 H new ATOM 0 HE1 PHE A 89 4.644 -7.637 2.939 1.00 0.64 H new ATOM 0 HE2 PHE A 89 2.700 -11.359 3.684 1.00 0.75 H new ATOM 0 HZ PHE A 89 4.771 -10.055 3.392 1.00 0.68 H new ATOM 1314 N ARG A 90 -2.344 -7.665 0.910 1.00 0.45 N ATOM 1315 CA ARG A 90 -3.262 -8.451 0.092 1.00 0.49 C ATOM 1316 C ARG A 90 -3.407 -7.846 -1.296 1.00 0.47 C ATOM 1317 O ARG A 90 -3.878 -8.501 -2.224 1.00 0.54 O ATOM 1318 CB ARG A 90 -4.627 -8.547 0.773 1.00 0.57 C ATOM 1319 CG ARG A 90 -4.703 -9.666 1.798 1.00 1.06 C ATOM 1320 CD ARG A 90 -5.742 -9.383 2.873 1.00 1.28 C ATOM 1321 NE ARG A 90 -7.109 -9.579 2.394 1.00 1.54 N ATOM 1322 CZ ARG A 90 -7.715 -10.766 2.313 1.00 1.91 C ATOM 1323 NH1 ARG A 90 -7.064 -11.879 2.638 1.00 2.17 N ATOM 1324 NH2 ARG A 90 -8.975 -10.840 1.904 1.00 2.35 N ATOM 0 H ARG A 90 -2.803 -7.033 1.566 1.00 0.45 H new ATOM 0 HA ARG A 90 -2.849 -9.454 -0.015 1.00 0.49 H new ATOM 0 HB2 ARG A 90 -4.850 -7.599 1.262 1.00 0.57 H new ATOM 0 HB3 ARG A 90 -5.395 -8.704 0.015 1.00 0.57 H new ATOM 0 HG2 ARG A 90 -4.947 -10.602 1.296 1.00 1.06 H new ATOM 0 HG3 ARG A 90 -3.726 -9.799 2.263 1.00 1.06 H new ATOM 0 HD2 ARG A 90 -5.563 -10.035 3.728 1.00 1.28 H new ATOM 0 HD3 ARG A 90 -5.627 -8.358 3.224 1.00 1.28 H new ATOM 0 HE ARG A 90 -7.635 -8.755 2.102 1.00 1.54 H new ATOM 0 HH11 ARG A 90 -6.095 -11.830 2.952 1.00 2.17 H new ATOM 0 HH12 ARG A 90 -7.534 -12.782 2.573 1.00 2.17 H new ATOM 0 HH21 ARG A 90 -9.480 -9.990 1.652 1.00 2.35 H new ATOM 0 HH22 ARG A 90 -9.439 -11.746 1.842 1.00 2.35 H new ATOM 1338 N VAL A 91 -3.041 -6.579 -1.421 1.00 0.43 N ATOM 1339 CA VAL A 91 -3.099 -5.901 -2.710 1.00 0.43 C ATOM 1340 C VAL A 91 -1.812 -6.168 -3.496 1.00 0.41 C ATOM 1341 O VAL A 91 -1.837 -6.327 -4.718 1.00 0.41 O ATOM 1342 CB VAL A 91 -3.339 -4.381 -2.542 1.00 0.44 C ATOM 1343 CG1 VAL A 91 -3.311 -3.654 -3.879 1.00 0.47 C ATOM 1344 CG2 VAL A 91 -4.672 -4.135 -1.852 1.00 0.46 C ATOM 0 H VAL A 91 -2.702 -6.001 -0.651 1.00 0.43 H new ATOM 0 HA VAL A 91 -3.945 -6.300 -3.270 1.00 0.43 H new ATOM 0 HB VAL A 91 -2.529 -3.986 -1.928 1.00 0.44 H new ATOM 0 HG11 VAL A 91 -3.483 -2.590 -3.718 1.00 0.47 H new ATOM 0 HG12 VAL A 91 -2.339 -3.797 -4.351 1.00 0.47 H new ATOM 0 HG13 VAL A 91 -4.091 -4.054 -4.527 1.00 0.47 H new ATOM 0 HG21 VAL A 91 -4.831 -3.063 -1.739 1.00 0.46 H new ATOM 0 HG22 VAL A 91 -5.476 -4.560 -2.453 1.00 0.46 H new ATOM 0 HG23 VAL A 91 -4.665 -4.606 -0.869 1.00 0.46 H new ATOM 1354 N PHE A 92 -0.687 -6.248 -2.785 1.00 0.42 N ATOM 1355 CA PHE A 92 0.599 -6.522 -3.424 1.00 0.42 C ATOM 1356 C PHE A 92 0.797 -8.027 -3.619 1.00 0.43 C ATOM 1357 O PHE A 92 1.238 -8.471 -4.676 1.00 0.47 O ATOM 1358 CB PHE A 92 1.762 -5.972 -2.591 1.00 0.43 C ATOM 1359 CG PHE A 92 1.923 -4.474 -2.609 1.00 0.36 C ATOM 1360 CD1 PHE A 92 1.647 -3.724 -3.746 1.00 0.42 C ATOM 1361 CD2 PHE A 92 2.371 -3.817 -1.475 1.00 0.39 C ATOM 1362 CE1 PHE A 92 1.818 -2.349 -3.742 1.00 0.42 C ATOM 1363 CE2 PHE A 92 2.540 -2.446 -1.467 1.00 0.43 C ATOM 1364 CZ PHE A 92 2.264 -1.712 -2.601 1.00 0.40 C ATOM 0 H PHE A 92 -0.640 -6.128 -1.773 1.00 0.42 H new ATOM 0 HA PHE A 92 0.589 -6.025 -4.394 1.00 0.42 H new ATOM 0 HB2 PHE A 92 1.629 -6.293 -1.558 1.00 0.43 H new ATOM 0 HB3 PHE A 92 2.687 -6.423 -2.949 1.00 0.43 H new ATOM 0 HD1 PHE A 92 1.296 -4.217 -4.640 1.00 0.42 H new ATOM 0 HD2 PHE A 92 2.592 -4.385 -0.583 1.00 0.39 H new ATOM 0 HE1 PHE A 92 1.602 -1.775 -4.631 1.00 0.42 H new ATOM 0 HE2 PHE A 92 2.888 -1.950 -0.573 1.00 0.43 H new ATOM 0 HZ PHE A 92 2.396 -0.640 -2.597 1.00 0.40 H new ATOM 1374 N ASP A 93 0.476 -8.807 -2.587 1.00 0.44 N ATOM 1375 CA ASP A 93 0.624 -10.258 -2.652 1.00 0.47 C ATOM 1376 C ASP A 93 -0.603 -10.876 -3.311 1.00 0.52 C ATOM 1377 O ASP A 93 -1.633 -11.103 -2.677 1.00 0.80 O ATOM 1378 CB ASP A 93 0.848 -10.846 -1.253 1.00 0.50 C ATOM 1379 CG ASP A 93 1.603 -12.158 -1.286 1.00 0.52 C ATOM 1380 OD1 ASP A 93 2.794 -12.159 -1.660 1.00 0.54 O ATOM 1381 OD2 ASP A 93 1.021 -13.195 -0.933 1.00 0.80 O ATOM 0 H ASP A 93 0.113 -8.459 -1.700 1.00 0.44 H new ATOM 0 HA ASP A 93 1.500 -10.494 -3.256 1.00 0.47 H new ATOM 0 HB2 ASP A 93 1.400 -10.129 -0.646 1.00 0.50 H new ATOM 0 HB3 ASP A 93 -0.116 -10.998 -0.768 1.00 0.50 H new ATOM 1386 N LYS A 94 -0.465 -11.134 -4.601 1.00 0.48 N ATOM 1387 CA LYS A 94 -1.531 -11.699 -5.414 1.00 0.54 C ATOM 1388 C LYS A 94 -1.606 -13.214 -5.271 1.00 0.56 C ATOM 1389 O LYS A 94 -2.690 -13.798 -5.335 1.00 0.65 O ATOM 1390 CB LYS A 94 -1.292 -11.319 -6.878 1.00 0.60 C ATOM 1391 CG LYS A 94 -2.281 -11.929 -7.863 1.00 0.86 C ATOM 1392 CD LYS A 94 -2.077 -11.366 -9.258 1.00 1.06 C ATOM 1393 CE LYS A 94 -2.622 -12.297 -10.329 1.00 1.31 C ATOM 1394 NZ LYS A 94 -1.876 -13.584 -10.382 1.00 1.70 N ATOM 0 H LYS A 94 0.396 -10.956 -5.118 1.00 0.48 H new ATOM 0 HA LYS A 94 -2.483 -11.293 -5.070 1.00 0.54 H new ATOM 0 HB2 LYS A 94 -1.332 -10.234 -6.969 1.00 0.60 H new ATOM 0 HB3 LYS A 94 -0.284 -11.625 -7.159 1.00 0.60 H new ATOM 0 HG2 LYS A 94 -2.159 -13.012 -7.883 1.00 0.86 H new ATOM 0 HG3 LYS A 94 -3.300 -11.729 -7.532 1.00 0.86 H new ATOM 0 HD2 LYS A 94 -2.570 -10.397 -9.334 1.00 1.06 H new ATOM 0 HD3 LYS A 94 -1.014 -11.197 -9.430 1.00 1.06 H new ATOM 0 HE2 LYS A 94 -3.676 -12.497 -10.134 1.00 1.31 H new ATOM 0 HE3 LYS A 94 -2.565 -11.805 -11.300 1.00 1.31 H new ATOM 0 HZ1 LYS A 94 -1.991 -14.014 -11.322 1.00 1.70 H new ATOM 0 HZ2 LYS A 94 -0.867 -13.408 -10.203 1.00 1.70 H new ATOM 0 HZ3 LYS A 94 -2.248 -14.231 -9.658 1.00 1.70 H new ATOM 1408 N ASP A 95 -0.460 -13.854 -5.069 1.00 0.55 N ATOM 1409 CA ASP A 95 -0.430 -15.312 -4.949 1.00 0.59 C ATOM 1410 C ASP A 95 -0.961 -15.774 -3.594 1.00 0.60 C ATOM 1411 O ASP A 95 -1.492 -16.883 -3.475 1.00 0.67 O ATOM 1412 CB ASP A 95 0.980 -15.888 -5.216 1.00 0.59 C ATOM 1413 CG ASP A 95 2.088 -15.252 -4.393 1.00 0.55 C ATOM 1414 OD1 ASP A 95 1.853 -14.866 -3.235 1.00 0.62 O ATOM 1415 OD2 ASP A 95 3.220 -15.109 -4.902 1.00 0.58 O ATOM 0 H ASP A 95 0.449 -13.398 -4.986 1.00 0.55 H new ATOM 0 HA ASP A 95 -1.093 -15.704 -5.721 1.00 0.59 H new ATOM 0 HB2 ASP A 95 0.965 -16.959 -5.015 1.00 0.59 H new ATOM 0 HB3 ASP A 95 1.214 -15.765 -6.273 1.00 0.59 H new ATOM 1420 N GLY A 96 -0.851 -14.919 -2.587 1.00 0.58 N ATOM 1421 CA GLY A 96 -1.322 -15.267 -1.263 1.00 0.61 C ATOM 1422 C GLY A 96 -0.353 -16.179 -0.547 1.00 0.61 C ATOM 1423 O GLY A 96 -0.755 -17.074 0.194 1.00 0.72 O ATOM 0 H GLY A 96 -0.442 -13.988 -2.665 1.00 0.58 H new ATOM 0 HA2 GLY A 96 -1.467 -14.359 -0.678 1.00 0.61 H new ATOM 0 HA3 GLY A 96 -2.293 -15.756 -1.339 1.00 0.61 H new ATOM 1427 N ASN A 97 0.930 -15.959 -0.793 1.00 0.61 N ATOM 1428 CA ASN A 97 1.979 -16.751 -0.170 1.00 0.62 C ATOM 1429 C ASN A 97 2.606 -15.978 0.987 1.00 0.60 C ATOM 1430 O ASN A 97 3.238 -16.559 1.868 1.00 0.66 O ATOM 1431 CB ASN A 97 3.041 -17.152 -1.209 1.00 0.62 C ATOM 1432 CG ASN A 97 4.305 -16.309 -1.140 1.00 0.55 C ATOM 1433 OD1 ASN A 97 4.372 -15.210 -1.709 1.00 0.58 O ATOM 1434 ND2 ASN A 97 5.315 -16.822 -0.453 1.00 0.72 N ATOM 0 H ASN A 97 1.271 -15.234 -1.424 1.00 0.61 H new ATOM 0 HA ASN A 97 1.540 -17.665 0.229 1.00 0.62 H new ATOM 0 HB2 ASN A 97 3.304 -18.200 -1.063 1.00 0.62 H new ATOM 0 HB3 ASN A 97 2.611 -17.068 -2.207 1.00 0.62 H new ATOM 0 HD21 ASN A 97 6.193 -16.308 -0.376 1.00 0.72 H new ATOM 0 HD22 ASN A 97 5.215 -17.731 -0.001 1.00 0.72 H new ATOM 1441 N GLY A 98 2.412 -14.663 0.987 1.00 0.55 N ATOM 1442 CA GLY A 98 2.958 -13.831 2.044 1.00 0.56 C ATOM 1443 C GLY A 98 4.341 -13.273 1.727 1.00 0.53 C ATOM 1444 O GLY A 98 5.081 -12.893 2.636 1.00 0.58 O ATOM 0 H GLY A 98 1.886 -14.158 0.273 1.00 0.55 H new ATOM 0 HA2 GLY A 98 2.275 -13.002 2.232 1.00 0.56 H new ATOM 0 HA3 GLY A 98 3.012 -14.414 2.963 1.00 0.56 H new ATOM 1448 N TYR A 99 4.693 -13.222 0.446 1.00 0.53 N ATOM 1449 CA TYR A 99 5.996 -12.708 0.013 1.00 0.50 C ATOM 1450 C TYR A 99 5.849 -11.938 -1.299 1.00 0.50 C ATOM 1451 O TYR A 99 5.574 -12.531 -2.349 1.00 0.54 O ATOM 1452 CB TYR A 99 7.002 -13.852 -0.175 1.00 0.52 C ATOM 1453 CG TYR A 99 7.863 -14.150 1.037 1.00 0.70 C ATOM 1454 CD1 TYR A 99 7.390 -14.946 2.073 1.00 0.92 C ATOM 1455 CD2 TYR A 99 9.155 -13.648 1.141 1.00 0.91 C ATOM 1456 CE1 TYR A 99 8.174 -15.228 3.176 1.00 1.19 C ATOM 1457 CE2 TYR A 99 9.945 -13.924 2.239 1.00 1.17 C ATOM 1458 CZ TYR A 99 9.450 -14.713 3.255 1.00 1.26 C ATOM 1459 OH TYR A 99 10.235 -14.985 4.353 1.00 1.57 O ATOM 0 H TYR A 99 4.092 -13.532 -0.318 1.00 0.53 H new ATOM 0 HA TYR A 99 6.369 -12.038 0.788 1.00 0.50 H new ATOM 0 HB2 TYR A 99 6.456 -14.756 -0.446 1.00 0.52 H new ATOM 0 HB3 TYR A 99 7.653 -13.609 -1.015 1.00 0.52 H new ATOM 0 HD1 TYR A 99 6.391 -15.352 2.015 1.00 0.92 H new ATOM 0 HD2 TYR A 99 9.548 -13.030 0.347 1.00 0.91 H new ATOM 0 HE1 TYR A 99 7.789 -15.849 3.972 1.00 1.19 H new ATOM 0 HE2 TYR A 99 10.946 -13.524 2.302 1.00 1.17 H new ATOM 0 HH TYR A 99 11.167 -14.757 4.153 1.00 1.57 H new ATOM 1469 N ILE A 100 6.023 -10.622 -1.235 1.00 0.49 N ATOM 1470 CA ILE A 100 5.901 -9.760 -2.414 1.00 0.52 C ATOM 1471 C ILE A 100 7.207 -9.745 -3.209 1.00 0.61 C ATOM 1472 O ILE A 100 8.274 -9.905 -2.638 1.00 0.64 O ATOM 1473 CB ILE A 100 5.556 -8.303 -2.017 1.00 0.55 C ATOM 1474 CG1 ILE A 100 4.562 -8.271 -0.850 1.00 0.58 C ATOM 1475 CG2 ILE A 100 4.991 -7.546 -3.213 1.00 0.60 C ATOM 1476 CD1 ILE A 100 4.405 -6.899 -0.224 1.00 0.69 C ATOM 0 H ILE A 100 6.251 -10.123 -0.375 1.00 0.49 H new ATOM 0 HA ILE A 100 5.095 -10.168 -3.024 1.00 0.52 H new ATOM 0 HB ILE A 100 6.475 -7.815 -1.694 1.00 0.55 H new ATOM 0 HG12 ILE A 100 3.589 -8.614 -1.203 1.00 0.58 H new ATOM 0 HG13 ILE A 100 4.890 -8.975 -0.085 1.00 0.58 H new ATOM 0 HG21 ILE A 100 4.754 -6.524 -2.918 1.00 0.60 H new ATOM 0 HG22 ILE A 100 5.729 -7.530 -4.015 1.00 0.60 H new ATOM 0 HG23 ILE A 100 4.086 -8.042 -3.563 1.00 0.60 H new ATOM 0 HD11 ILE A 100 3.687 -6.952 0.594 1.00 0.69 H new ATOM 0 HD12 ILE A 100 5.368 -6.562 0.160 1.00 0.69 H new ATOM 0 HD13 ILE A 100 4.047 -6.195 -0.975 1.00 0.69 H new ATOM 1488 N SER A 101 7.122 -9.547 -4.522 1.00 0.84 N ATOM 1489 CA SER A 101 8.308 -9.499 -5.374 1.00 1.02 C ATOM 1490 C SER A 101 8.040 -8.659 -6.621 1.00 0.95 C ATOM 1491 O SER A 101 6.945 -8.114 -6.780 1.00 0.85 O ATOM 1492 CB SER A 101 8.712 -10.919 -5.782 1.00 1.14 C ATOM 1493 OG SER A 101 7.571 -11.752 -5.928 1.00 1.12 O ATOM 0 H SER A 101 6.242 -9.417 -5.021 1.00 0.84 H new ATOM 0 HA SER A 101 9.121 -9.038 -4.812 1.00 1.02 H new ATOM 0 HB2 SER A 101 9.266 -10.888 -6.720 1.00 1.14 H new ATOM 0 HB3 SER A 101 9.380 -11.340 -5.031 1.00 1.14 H new ATOM 0 HG SER A 101 7.855 -12.653 -6.190 1.00 1.12 H new ATOM 1499 N ALA A 102 9.031 -8.568 -7.527 1.00 1.01 N ATOM 1500 CA ALA A 102 8.877 -7.818 -8.786 1.00 0.98 C ATOM 1501 C ALA A 102 7.947 -8.580 -9.729 1.00 0.86 C ATOM 1502 O ALA A 102 7.681 -8.179 -10.859 1.00 1.30 O ATOM 1503 CB ALA A 102 10.233 -7.581 -9.445 1.00 1.09 C ATOM 0 H ALA A 102 9.946 -9.004 -7.410 1.00 1.01 H new ATOM 0 HA ALA A 102 8.438 -6.845 -8.564 1.00 0.98 H new ATOM 0 HB1 ALA A 102 10.095 -7.026 -10.373 1.00 1.09 H new ATOM 0 HB2 ALA A 102 10.870 -7.008 -8.771 1.00 1.09 H new ATOM 0 HB3 ALA A 102 10.704 -8.539 -9.663 1.00 1.09 H new ATOM 1509 N ALA A 103 7.444 -9.668 -9.194 1.00 0.56 N ATOM 1510 CA ALA A 103 6.526 -10.529 -9.892 1.00 0.66 C ATOM 1511 C ALA A 103 5.138 -9.923 -9.807 1.00 0.52 C ATOM 1512 O ALA A 103 4.582 -9.429 -10.793 1.00 0.57 O ATOM 1513 CB ALA A 103 6.548 -11.933 -9.305 1.00 0.93 C ATOM 0 H ALA A 103 7.666 -9.982 -8.249 1.00 0.56 H new ATOM 0 HA ALA A 103 6.822 -10.614 -10.937 1.00 0.66 H new ATOM 0 HB1 ALA A 103 5.846 -12.566 -9.849 1.00 0.93 H new ATOM 0 HB2 ALA A 103 7.552 -12.348 -9.391 1.00 0.93 H new ATOM 0 HB3 ALA A 103 6.261 -11.893 -8.254 1.00 0.93 H new ATOM 1519 N GLU A 104 4.604 -9.928 -8.601 1.00 0.45 N ATOM 1520 CA GLU A 104 3.282 -9.393 -8.333 1.00 0.42 C ATOM 1521 C GLU A 104 3.275 -7.863 -8.287 1.00 0.43 C ATOM 1522 O GLU A 104 2.309 -7.232 -8.717 1.00 0.46 O ATOM 1523 CB GLU A 104 2.774 -9.961 -7.014 1.00 0.51 C ATOM 1524 CG GLU A 104 2.897 -11.471 -6.937 1.00 0.49 C ATOM 1525 CD GLU A 104 3.058 -11.966 -5.517 1.00 0.60 C ATOM 1526 OE1 GLU A 104 4.201 -12.027 -5.022 1.00 0.78 O ATOM 1527 OE2 GLU A 104 2.051 -12.315 -4.877 1.00 0.83 O ATOM 0 H GLU A 104 5.075 -10.304 -7.778 1.00 0.45 H new ATOM 0 HA GLU A 104 2.624 -9.689 -9.150 1.00 0.42 H new ATOM 0 HB2 GLU A 104 3.333 -9.513 -6.192 1.00 0.51 H new ATOM 0 HB3 GLU A 104 1.730 -9.679 -6.881 1.00 0.51 H new ATOM 0 HG2 GLU A 104 2.012 -11.928 -7.380 1.00 0.49 H new ATOM 0 HG3 GLU A 104 3.753 -11.794 -7.530 1.00 0.49 H new ATOM 1534 N LEU A 105 4.354 -7.263 -7.785 1.00 0.43 N ATOM 1535 CA LEU A 105 4.423 -5.807 -7.679 1.00 0.47 C ATOM 1536 C LEU A 105 4.317 -5.150 -9.052 1.00 0.48 C ATOM 1537 O LEU A 105 3.657 -4.123 -9.206 1.00 0.50 O ATOM 1538 CB LEU A 105 5.709 -5.353 -6.982 1.00 0.50 C ATOM 1539 CG LEU A 105 5.777 -3.853 -6.687 1.00 0.55 C ATOM 1540 CD1 LEU A 105 4.832 -3.492 -5.553 1.00 0.61 C ATOM 1541 CD2 LEU A 105 7.196 -3.427 -6.351 1.00 0.63 C ATOM 0 H LEU A 105 5.182 -7.755 -7.449 1.00 0.43 H new ATOM 0 HA LEU A 105 3.575 -5.491 -7.072 1.00 0.47 H new ATOM 0 HB2 LEU A 105 5.811 -5.900 -6.044 1.00 0.50 H new ATOM 0 HB3 LEU A 105 6.561 -5.627 -7.605 1.00 0.50 H new ATOM 0 HG LEU A 105 5.467 -3.318 -7.584 1.00 0.55 H new ATOM 0 HD11 LEU A 105 4.893 -2.422 -5.356 1.00 0.61 H new ATOM 0 HD12 LEU A 105 3.811 -3.752 -5.833 1.00 0.61 H new ATOM 0 HD13 LEU A 105 5.113 -4.043 -4.656 1.00 0.61 H new ATOM 0 HD21 LEU A 105 7.216 -2.357 -6.146 1.00 0.63 H new ATOM 0 HD22 LEU A 105 7.541 -3.971 -5.472 1.00 0.63 H new ATOM 0 HD23 LEU A 105 7.851 -3.647 -7.194 1.00 0.63 H new ATOM 1553 N ARG A 106 4.957 -5.756 -10.047 1.00 0.49 N ATOM 1554 CA ARG A 106 4.925 -5.227 -11.409 1.00 0.52 C ATOM 1555 C ARG A 106 3.492 -5.161 -11.917 1.00 0.53 C ATOM 1556 O ARG A 106 3.079 -4.167 -12.519 1.00 0.59 O ATOM 1557 CB ARG A 106 5.758 -6.103 -12.344 1.00 0.56 C ATOM 1558 CG ARG A 106 6.002 -5.484 -13.710 1.00 0.82 C ATOM 1559 CD ARG A 106 6.260 -6.558 -14.753 1.00 0.84 C ATOM 1560 NE ARG A 106 7.633 -7.041 -14.698 1.00 0.72 N ATOM 1561 CZ ARG A 106 7.991 -8.316 -14.785 1.00 0.86 C ATOM 1562 NH1 ARG A 106 7.083 -9.270 -14.955 1.00 1.18 N ATOM 1563 NH2 ARG A 106 9.272 -8.632 -14.702 1.00 0.90 N ATOM 0 H ARG A 106 5.503 -6.611 -9.938 1.00 0.49 H new ATOM 0 HA ARG A 106 5.347 -4.222 -11.394 1.00 0.52 H new ATOM 0 HB2 ARG A 106 6.719 -6.310 -11.873 1.00 0.56 H new ATOM 0 HB3 ARG A 106 5.254 -7.061 -12.474 1.00 0.56 H new ATOM 0 HG2 ARG A 106 5.138 -4.887 -14.003 1.00 0.82 H new ATOM 0 HG3 ARG A 106 6.855 -4.807 -13.660 1.00 0.82 H new ATOM 0 HD2 ARG A 106 5.574 -7.391 -14.596 1.00 0.84 H new ATOM 0 HD3 ARG A 106 6.054 -6.158 -15.746 1.00 0.84 H new ATOM 0 HE ARG A 106 8.373 -6.349 -14.584 1.00 0.72 H new ATOM 0 HH11 ARG A 106 6.094 -9.027 -15.021 1.00 1.18 H new ATOM 0 HH12 ARG A 106 7.374 -10.245 -15.020 1.00 1.18 H new ATOM 0 HH21 ARG A 106 9.971 -7.900 -14.573 1.00 0.90 H new ATOM 0 HH22 ARG A 106 9.562 -9.608 -14.767 1.00 0.90 H new ATOM 1577 N HIS A 107 2.736 -6.223 -11.655 1.00 0.52 N ATOM 1578 CA HIS A 107 1.347 -6.301 -12.082 1.00 0.54 C ATOM 1579 C HIS A 107 0.525 -5.180 -11.457 1.00 0.54 C ATOM 1580 O HIS A 107 -0.176 -4.453 -12.160 1.00 0.59 O ATOM 1581 CB HIS A 107 0.749 -7.667 -11.725 1.00 0.58 C ATOM 1582 CG HIS A 107 -0.680 -7.829 -12.148 1.00 0.62 C ATOM 1583 ND1 HIS A 107 -1.033 -7.900 -13.473 1.00 0.80 N ATOM 1584 CD2 HIS A 107 -1.799 -7.917 -11.389 1.00 0.60 C ATOM 1585 CE1 HIS A 107 -2.349 -8.028 -13.493 1.00 0.83 C ATOM 1586 NE2 HIS A 107 -2.858 -8.044 -12.253 1.00 0.70 N ATOM 0 H HIS A 107 3.066 -7.044 -11.147 1.00 0.52 H new ATOM 0 HA HIS A 107 1.318 -6.183 -13.165 1.00 0.54 H new ATOM 0 HB2 HIS A 107 1.348 -8.449 -12.192 1.00 0.58 H new ATOM 0 HB3 HIS A 107 0.818 -7.813 -10.647 1.00 0.58 H new ATOM 0 HD2 HIS A 107 -1.848 -7.892 -10.310 1.00 0.60 H new ATOM 0 HE1 HIS A 107 -2.939 -8.109 -14.394 1.00 0.83 H new ATOM 0 HE2 HIS A 107 -3.842 -8.133 -12.000 1.00 0.70 H new ATOM 1594 N VAL A 108 0.626 -5.018 -10.139 1.00 0.49 N ATOM 1595 CA VAL A 108 -0.119 -3.985 -9.428 1.00 0.49 C ATOM 1596 C VAL A 108 0.278 -2.574 -9.872 1.00 0.49 C ATOM 1597 O VAL A 108 -0.580 -1.713 -10.069 1.00 0.52 O ATOM 1598 CB VAL A 108 0.089 -4.121 -7.902 1.00 0.50 C ATOM 1599 CG1 VAL A 108 -0.765 -3.116 -7.141 1.00 0.53 C ATOM 1600 CG2 VAL A 108 -0.222 -5.540 -7.451 1.00 0.53 C ATOM 0 H VAL A 108 1.220 -5.593 -9.541 1.00 0.49 H new ATOM 0 HA VAL A 108 -1.171 -4.131 -9.672 1.00 0.49 H new ATOM 0 HB VAL A 108 1.134 -3.906 -7.680 1.00 0.50 H new ATOM 0 HG11 VAL A 108 -0.599 -3.234 -6.070 1.00 0.53 H new ATOM 0 HG12 VAL A 108 -0.491 -2.105 -7.441 1.00 0.53 H new ATOM 0 HG13 VAL A 108 -1.817 -3.289 -7.366 1.00 0.53 H new ATOM 0 HG21 VAL A 108 -0.071 -5.621 -6.375 1.00 0.53 H new ATOM 0 HG22 VAL A 108 -1.258 -5.779 -7.691 1.00 0.53 H new ATOM 0 HG23 VAL A 108 0.440 -6.238 -7.964 1.00 0.53 H new ATOM 1610 N MET A 109 1.576 -2.346 -10.053 1.00 0.47 N ATOM 1611 CA MET A 109 2.075 -1.036 -10.466 1.00 0.49 C ATOM 1612 C MET A 109 1.536 -0.648 -11.842 1.00 0.50 C ATOM 1613 O MET A 109 1.254 0.525 -12.107 1.00 0.52 O ATOM 1614 CB MET A 109 3.606 -1.033 -10.489 1.00 0.50 C ATOM 1615 CG MET A 109 4.232 0.157 -9.778 1.00 0.62 C ATOM 1616 SD MET A 109 4.463 -0.124 -8.009 1.00 0.80 S ATOM 1617 CE MET A 109 2.865 0.366 -7.369 1.00 0.86 C ATOM 0 H MET A 109 2.302 -3.050 -9.920 1.00 0.47 H new ATOM 0 HA MET A 109 1.725 -0.302 -9.740 1.00 0.49 H new ATOM 0 HB2 MET A 109 3.968 -1.951 -10.027 1.00 0.50 H new ATOM 0 HB3 MET A 109 3.944 -1.043 -11.525 1.00 0.50 H new ATOM 0 HG2 MET A 109 5.196 0.380 -10.234 1.00 0.62 H new ATOM 0 HG3 MET A 109 3.600 1.034 -9.922 1.00 0.62 H new ATOM 0 HE1 MET A 109 2.993 0.840 -6.396 1.00 0.86 H new ATOM 0 HE2 MET A 109 2.398 1.071 -8.057 1.00 0.86 H new ATOM 0 HE3 MET A 109 2.230 -0.514 -7.264 1.00 0.86 H new ATOM 1627 N THR A 110 1.379 -1.640 -12.703 1.00 0.50 N ATOM 1628 CA THR A 110 0.875 -1.412 -14.046 1.00 0.54 C ATOM 1629 C THR A 110 -0.650 -1.330 -14.040 1.00 0.53 C ATOM 1630 O THR A 110 -1.252 -0.621 -14.846 1.00 0.54 O ATOM 1631 CB THR A 110 1.340 -2.531 -14.997 1.00 0.58 C ATOM 1632 OG1 THR A 110 2.739 -2.779 -14.794 1.00 0.59 O ATOM 1633 CG2 THR A 110 1.102 -2.165 -16.455 1.00 0.67 C ATOM 0 H THR A 110 1.595 -2.615 -12.494 1.00 0.50 H new ATOM 0 HA THR A 110 1.275 -0.463 -14.402 1.00 0.54 H new ATOM 0 HB THR A 110 0.758 -3.425 -14.773 1.00 0.58 H new ATOM 0 HG1 THR A 110 2.863 -3.298 -13.972 1.00 0.59 H new ATOM 0 HG21 THR A 110 1.443 -2.979 -17.095 1.00 0.67 H new ATOM 0 HG22 THR A 110 0.038 -1.996 -16.619 1.00 0.67 H new ATOM 0 HG23 THR A 110 1.655 -1.257 -16.697 1.00 0.67 H new ATOM 1641 N ASN A 111 -1.268 -2.039 -13.097 1.00 0.53 N ATOM 1642 CA ASN A 111 -2.721 -2.053 -12.979 1.00 0.56 C ATOM 1643 C ASN A 111 -3.230 -0.699 -12.521 1.00 0.55 C ATOM 1644 O ASN A 111 -4.280 -0.232 -12.967 1.00 0.58 O ATOM 1645 CB ASN A 111 -3.180 -3.128 -11.994 1.00 0.58 C ATOM 1646 CG ASN A 111 -4.346 -3.930 -12.528 1.00 0.65 C ATOM 1647 OD1 ASN A 111 -5.501 -3.520 -12.425 1.00 0.86 O ATOM 1648 ND2 ASN A 111 -4.053 -5.088 -13.102 1.00 0.88 N ATOM 0 H ASN A 111 -0.783 -2.610 -12.405 1.00 0.53 H new ATOM 0 HA ASN A 111 -3.131 -2.279 -13.963 1.00 0.56 H new ATOM 0 HB2 ASN A 111 -2.349 -3.799 -11.777 1.00 0.58 H new ATOM 0 HB3 ASN A 111 -3.465 -2.658 -11.053 1.00 0.58 H new ATOM 0 HD21 ASN A 111 -4.799 -5.674 -13.478 1.00 0.88 H new ATOM 0 HD22 ASN A 111 -3.082 -5.393 -13.168 1.00 0.88 H new ATOM 1655 N LEU A 112 -2.487 -0.082 -11.609 1.00 0.54 N ATOM 1656 CA LEU A 112 -2.844 1.230 -11.093 1.00 0.57 C ATOM 1657 C LEU A 112 -2.521 2.303 -12.134 1.00 0.61 C ATOM 1658 O LEU A 112 -3.223 3.305 -12.247 1.00 0.68 O ATOM 1659 CB LEU A 112 -2.091 1.520 -9.792 1.00 0.59 C ATOM 1660 CG LEU A 112 -2.396 0.577 -8.624 1.00 0.58 C ATOM 1661 CD1 LEU A 112 -1.352 0.739 -7.529 1.00 0.93 C ATOM 1662 CD2 LEU A 112 -3.791 0.836 -8.069 1.00 0.63 C ATOM 0 H LEU A 112 -1.632 -0.472 -11.212 1.00 0.54 H new ATOM 0 HA LEU A 112 -3.914 1.243 -10.884 1.00 0.57 H new ATOM 0 HB2 LEU A 112 -1.021 1.481 -9.997 1.00 0.59 H new ATOM 0 HB3 LEU A 112 -2.319 2.539 -9.481 1.00 0.59 H new ATOM 0 HG LEU A 112 -2.361 -0.448 -8.993 1.00 0.58 H new ATOM 0 HD11 LEU A 112 -1.581 0.063 -6.705 1.00 0.93 H new ATOM 0 HD12 LEU A 112 -0.366 0.503 -7.929 1.00 0.93 H new ATOM 0 HD13 LEU A 112 -1.360 1.767 -7.168 1.00 0.93 H new ATOM 0 HD21 LEU A 112 -3.985 0.155 -7.241 1.00 0.63 H new ATOM 0 HD22 LEU A 112 -3.857 1.865 -7.716 1.00 0.63 H new ATOM 0 HD23 LEU A 112 -4.530 0.674 -8.853 1.00 0.63 H new ATOM 1674 N GLY A 113 -1.452 2.075 -12.896 1.00 0.67 N ATOM 1675 CA GLY A 113 -1.055 3.015 -13.926 1.00 0.75 C ATOM 1676 C GLY A 113 -0.037 4.035 -13.444 1.00 0.77 C ATOM 1677 O GLY A 113 -0.043 5.185 -13.893 1.00 0.89 O ATOM 0 H GLY A 113 -0.854 1.253 -12.816 1.00 0.67 H new ATOM 0 HA2 GLY A 113 -0.638 2.465 -14.770 1.00 0.75 H new ATOM 0 HA3 GLY A 113 -1.939 3.538 -14.292 1.00 0.75 H new ATOM 1681 N GLU A 114 0.841 3.620 -12.542 1.00 0.72 N ATOM 1682 CA GLU A 114 1.872 4.510 -12.018 1.00 0.79 C ATOM 1683 C GLU A 114 3.046 4.589 -12.992 1.00 0.79 C ATOM 1684 O GLU A 114 3.180 3.749 -13.884 1.00 0.83 O ATOM 1685 CB GLU A 114 2.337 4.032 -10.642 1.00 0.84 C ATOM 1686 CG GLU A 114 1.681 4.774 -9.485 1.00 0.95 C ATOM 1687 CD GLU A 114 2.274 6.155 -9.261 1.00 1.07 C ATOM 1688 OE1 GLU A 114 2.490 6.883 -10.255 1.00 1.61 O ATOM 1689 OE2 GLU A 114 2.540 6.513 -8.090 1.00 1.55 O ATOM 0 H GLU A 114 0.862 2.676 -12.157 1.00 0.72 H new ATOM 0 HA GLU A 114 1.452 5.510 -11.907 1.00 0.79 H new ATOM 0 HB2 GLU A 114 2.126 2.967 -10.546 1.00 0.84 H new ATOM 0 HB3 GLU A 114 3.418 4.150 -10.572 1.00 0.84 H new ATOM 0 HG2 GLU A 114 0.613 4.869 -9.679 1.00 0.95 H new ATOM 0 HG3 GLU A 114 1.788 4.185 -8.574 1.00 0.95 H new ATOM 1696 N LYS A 115 3.902 5.586 -12.812 1.00 0.77 N ATOM 1697 CA LYS A 115 5.041 5.784 -13.704 1.00 0.80 C ATOM 1698 C LYS A 115 6.243 4.937 -13.286 1.00 0.82 C ATOM 1699 O LYS A 115 7.284 5.469 -12.901 1.00 1.18 O ATOM 1700 CB LYS A 115 5.453 7.262 -13.754 1.00 0.84 C ATOM 1701 CG LYS A 115 4.306 8.240 -13.546 1.00 0.91 C ATOM 1702 CD LYS A 115 4.285 8.791 -12.126 1.00 1.07 C ATOM 1703 CE LYS A 115 3.061 9.662 -11.885 1.00 1.17 C ATOM 1704 NZ LYS A 115 1.802 8.866 -11.851 1.00 1.02 N ATOM 0 H LYS A 115 3.831 6.270 -12.059 1.00 0.77 H new ATOM 0 HA LYS A 115 4.721 5.466 -14.696 1.00 0.80 H new ATOM 0 HB2 LYS A 115 6.211 7.442 -12.991 1.00 0.84 H new ATOM 0 HB3 LYS A 115 5.917 7.465 -14.719 1.00 0.84 H new ATOM 0 HG2 LYS A 115 4.397 9.063 -14.254 1.00 0.91 H new ATOM 0 HG3 LYS A 115 3.360 7.741 -13.757 1.00 0.91 H new ATOM 0 HD2 LYS A 115 4.292 7.966 -11.414 1.00 1.07 H new ATOM 0 HD3 LYS A 115 5.189 9.374 -11.947 1.00 1.07 H new ATOM 0 HE2 LYS A 115 3.177 10.196 -10.942 1.00 1.17 H new ATOM 0 HE3 LYS A 115 2.992 10.414 -12.671 1.00 1.17 H new ATOM 0 HZ1 LYS A 115 1.109 9.338 -11.235 1.00 1.02 H new ATOM 0 HZ2 LYS A 115 1.414 8.788 -12.813 1.00 1.02 H new ATOM 0 HZ3 LYS A 115 2.002 7.915 -11.481 1.00 1.02 H new ATOM 1718 N LEU A 116 6.098 3.621 -13.361 1.00 0.64 N ATOM 1719 CA LEU A 116 7.183 2.720 -13.002 1.00 0.65 C ATOM 1720 C LEU A 116 7.368 1.651 -14.063 1.00 0.65 C ATOM 1721 O LEU A 116 6.410 0.990 -14.471 1.00 0.68 O ATOM 1722 CB LEU A 116 6.935 2.045 -11.648 1.00 0.70 C ATOM 1723 CG LEU A 116 7.196 2.915 -10.419 1.00 0.93 C ATOM 1724 CD1 LEU A 116 5.934 3.652 -10.011 1.00 1.27 C ATOM 1725 CD2 LEU A 116 7.717 2.067 -9.268 1.00 0.93 C ATOM 0 H LEU A 116 5.243 3.156 -13.666 1.00 0.64 H new ATOM 0 HA LEU A 116 8.087 3.325 -12.930 1.00 0.65 H new ATOM 0 HB2 LEU A 116 5.900 1.704 -11.616 1.00 0.70 H new ATOM 0 HB3 LEU A 116 7.565 1.158 -11.584 1.00 0.70 H new ATOM 0 HG LEU A 116 7.956 3.653 -10.674 1.00 0.93 H new ATOM 0 HD11 LEU A 116 6.139 4.266 -9.134 1.00 1.27 H new ATOM 0 HD12 LEU A 116 5.603 4.289 -10.831 1.00 1.27 H new ATOM 0 HD13 LEU A 116 5.152 2.931 -9.774 1.00 1.27 H new ATOM 0 HD21 LEU A 116 7.898 2.702 -8.401 1.00 0.93 H new ATOM 0 HD22 LEU A 116 6.979 1.306 -9.013 1.00 0.93 H new ATOM 0 HD23 LEU A 116 8.648 1.584 -9.564 1.00 0.93 H new ATOM 1737 N THR A 117 8.598 1.494 -14.517 1.00 0.70 N ATOM 1738 CA THR A 117 8.914 0.485 -15.509 1.00 0.73 C ATOM 1739 C THR A 117 9.293 -0.814 -14.809 1.00 0.71 C ATOM 1740 O THR A 117 9.226 -0.901 -13.582 1.00 0.69 O ATOM 1741 CB THR A 117 10.065 0.943 -16.421 1.00 0.81 C ATOM 1742 OG1 THR A 117 11.178 1.360 -15.623 1.00 0.93 O ATOM 1743 CG2 THR A 117 9.622 2.080 -17.328 1.00 1.04 C ATOM 0 H THR A 117 9.395 2.054 -14.214 1.00 0.70 H new ATOM 0 HA THR A 117 8.034 0.326 -16.132 1.00 0.73 H new ATOM 0 HB THR A 117 10.362 0.103 -17.049 1.00 0.81 H new ATOM 0 HG1 THR A 117 11.909 1.649 -16.208 1.00 0.93 H new ATOM 0 HG21 THR A 117 10.454 2.385 -17.962 1.00 1.04 H new ATOM 0 HG22 THR A 117 8.793 1.746 -17.952 1.00 1.04 H new ATOM 0 HG23 THR A 117 9.300 2.926 -16.720 1.00 1.04 H new ATOM 1751 N ASP A 118 9.699 -1.817 -15.575 1.00 0.73 N ATOM 1752 CA ASP A 118 10.094 -3.096 -14.998 1.00 0.74 C ATOM 1753 C ASP A 118 11.336 -2.935 -14.123 1.00 0.73 C ATOM 1754 O ASP A 118 11.461 -3.562 -13.068 1.00 0.74 O ATOM 1755 CB ASP A 118 10.365 -4.126 -16.099 1.00 0.79 C ATOM 1756 CG ASP A 118 10.791 -5.469 -15.546 1.00 0.97 C ATOM 1757 OD1 ASP A 118 10.058 -6.017 -14.708 1.00 1.20 O ATOM 1758 OD2 ASP A 118 11.851 -5.984 -15.963 1.00 1.38 O ATOM 0 H ASP A 118 9.764 -1.772 -16.592 1.00 0.73 H new ATOM 0 HA ASP A 118 9.271 -3.451 -14.378 1.00 0.74 H new ATOM 0 HB2 ASP A 118 9.466 -4.254 -16.701 1.00 0.79 H new ATOM 0 HB3 ASP A 118 11.142 -3.747 -16.763 1.00 0.79 H new ATOM 1763 N GLU A 119 12.244 -2.066 -14.553 1.00 0.72 N ATOM 1764 CA GLU A 119 13.474 -1.814 -13.816 1.00 0.73 C ATOM 1765 C GLU A 119 13.197 -1.000 -12.549 1.00 0.70 C ATOM 1766 O GLU A 119 13.910 -1.130 -11.551 1.00 0.71 O ATOM 1767 CB GLU A 119 14.481 -1.094 -14.716 1.00 0.78 C ATOM 1768 CG GLU A 119 14.859 -1.898 -15.951 1.00 1.15 C ATOM 1769 CD GLU A 119 15.632 -1.086 -16.967 1.00 1.69 C ATOM 1770 OE1 GLU A 119 14.999 -0.339 -17.733 1.00 2.33 O ATOM 1771 OE2 GLU A 119 16.870 -1.213 -17.024 1.00 2.18 O ATOM 0 H GLU A 119 12.150 -1.523 -15.411 1.00 0.72 H new ATOM 0 HA GLU A 119 13.898 -2.770 -13.508 1.00 0.73 H new ATOM 0 HB2 GLU A 119 14.062 -0.137 -15.027 1.00 0.78 H new ATOM 0 HB3 GLU A 119 15.382 -0.876 -14.142 1.00 0.78 H new ATOM 0 HG2 GLU A 119 15.457 -2.758 -15.650 1.00 1.15 H new ATOM 0 HG3 GLU A 119 13.953 -2.287 -16.417 1.00 1.15 H new ATOM 1778 N GLU A 120 12.137 -0.193 -12.581 1.00 0.70 N ATOM 1779 CA GLU A 120 11.773 0.619 -11.426 1.00 0.69 C ATOM 1780 C GLU A 120 11.181 -0.265 -10.335 1.00 0.67 C ATOM 1781 O GLU A 120 11.360 -0.018 -9.140 1.00 0.68 O ATOM 1782 CB GLU A 120 10.772 1.715 -11.809 1.00 0.72 C ATOM 1783 CG GLU A 120 11.378 2.825 -12.651 1.00 0.85 C ATOM 1784 CD GLU A 120 12.542 3.512 -11.964 1.00 1.09 C ATOM 1785 OE1 GLU A 120 12.307 4.451 -11.174 1.00 1.33 O ATOM 1786 OE2 GLU A 120 13.696 3.116 -12.212 1.00 1.86 O ATOM 0 H GLU A 120 11.522 -0.086 -13.387 1.00 0.70 H new ATOM 0 HA GLU A 120 12.677 1.101 -11.054 1.00 0.69 H new ATOM 0 HB2 GLU A 120 9.945 1.264 -12.358 1.00 0.72 H new ATOM 0 HB3 GLU A 120 10.354 2.147 -10.900 1.00 0.72 H new ATOM 0 HG2 GLU A 120 11.715 2.412 -13.601 1.00 0.85 H new ATOM 0 HG3 GLU A 120 10.609 3.563 -12.879 1.00 0.85 H new ATOM 1793 N VAL A 121 10.502 -1.323 -10.763 1.00 0.66 N ATOM 1794 CA VAL A 121 9.878 -2.265 -9.849 1.00 0.66 C ATOM 1795 C VAL A 121 10.935 -3.013 -9.032 1.00 0.64 C ATOM 1796 O VAL A 121 10.804 -3.163 -7.819 1.00 0.63 O ATOM 1797 CB VAL A 121 8.993 -3.280 -10.614 1.00 0.70 C ATOM 1798 CG1 VAL A 121 8.533 -4.405 -9.706 1.00 0.71 C ATOM 1799 CG2 VAL A 121 7.791 -2.587 -11.234 1.00 0.76 C ATOM 0 H VAL A 121 10.370 -1.549 -11.749 1.00 0.66 H new ATOM 0 HA VAL A 121 9.246 -1.693 -9.170 1.00 0.66 H new ATOM 0 HB VAL A 121 9.601 -3.710 -11.410 1.00 0.70 H new ATOM 0 HG11 VAL A 121 7.914 -5.100 -10.273 1.00 0.71 H new ATOM 0 HG12 VAL A 121 9.402 -4.932 -9.311 1.00 0.71 H new ATOM 0 HG13 VAL A 121 7.952 -3.992 -8.881 1.00 0.71 H new ATOM 0 HG21 VAL A 121 7.184 -3.319 -11.766 1.00 0.76 H new ATOM 0 HG22 VAL A 121 7.194 -2.122 -10.449 1.00 0.76 H new ATOM 0 HG23 VAL A 121 8.132 -1.822 -11.932 1.00 0.76 H new ATOM 1809 N ASP A 122 11.992 -3.458 -9.701 1.00 0.65 N ATOM 1810 CA ASP A 122 13.064 -4.196 -9.036 1.00 0.66 C ATOM 1811 C ASP A 122 13.832 -3.299 -8.081 1.00 0.65 C ATOM 1812 O ASP A 122 14.247 -3.729 -7.003 1.00 0.66 O ATOM 1813 CB ASP A 122 14.029 -4.790 -10.064 1.00 0.71 C ATOM 1814 CG ASP A 122 15.155 -5.574 -9.415 1.00 0.81 C ATOM 1815 OD1 ASP A 122 14.928 -6.731 -9.001 1.00 0.89 O ATOM 1816 OD2 ASP A 122 16.276 -5.040 -9.315 1.00 0.96 O ATOM 0 H ASP A 122 12.132 -3.322 -10.702 1.00 0.65 H new ATOM 0 HA ASP A 122 12.604 -5.004 -8.467 1.00 0.66 H new ATOM 0 HB2 ASP A 122 13.478 -5.443 -10.741 1.00 0.71 H new ATOM 0 HB3 ASP A 122 14.450 -3.987 -10.669 1.00 0.71 H new ATOM 1821 N GLU A 123 14.007 -2.051 -8.481 1.00 0.66 N ATOM 1822 CA GLU A 123 14.730 -1.082 -7.676 1.00 0.68 C ATOM 1823 C GLU A 123 13.968 -0.781 -6.396 1.00 0.66 C ATOM 1824 O GLU A 123 14.529 -0.828 -5.301 1.00 0.66 O ATOM 1825 CB GLU A 123 14.949 0.201 -8.473 1.00 0.75 C ATOM 1826 CG GLU A 123 16.122 1.023 -7.972 1.00 0.86 C ATOM 1827 CD GLU A 123 17.451 0.332 -8.198 1.00 0.91 C ATOM 1828 OE1 GLU A 123 17.657 -0.255 -9.282 1.00 1.13 O ATOM 1829 OE2 GLU A 123 18.297 0.359 -7.286 1.00 1.20 O ATOM 0 H GLU A 123 13.655 -1.683 -9.365 1.00 0.66 H new ATOM 0 HA GLU A 123 15.700 -1.503 -7.411 1.00 0.68 H new ATOM 0 HB2 GLU A 123 15.113 -0.053 -9.520 1.00 0.75 H new ATOM 0 HB3 GLU A 123 14.044 0.807 -8.430 1.00 0.75 H new ATOM 0 HG2 GLU A 123 16.127 1.989 -8.477 1.00 0.86 H new ATOM 0 HG3 GLU A 123 15.995 1.221 -6.908 1.00 0.86 H new ATOM 1836 N MET A 124 12.683 -0.486 -6.548 1.00 0.67 N ATOM 1837 CA MET A 124 11.820 -0.184 -5.414 1.00 0.69 C ATOM 1838 C MET A 124 11.766 -1.377 -4.469 1.00 0.69 C ATOM 1839 O MET A 124 11.878 -1.215 -3.268 1.00 0.76 O ATOM 1840 CB MET A 124 10.412 0.174 -5.908 1.00 0.72 C ATOM 1841 CG MET A 124 9.373 0.327 -4.805 1.00 0.64 C ATOM 1842 SD MET A 124 7.800 0.955 -5.430 1.00 0.61 S ATOM 1843 CE MET A 124 6.730 0.632 -4.034 1.00 0.68 C ATOM 0 H MET A 124 12.213 -0.450 -7.453 1.00 0.67 H new ATOM 0 HA MET A 124 12.227 0.670 -4.873 1.00 0.69 H new ATOM 0 HB2 MET A 124 10.465 1.106 -6.471 1.00 0.72 H new ATOM 0 HB3 MET A 124 10.077 -0.598 -6.600 1.00 0.72 H new ATOM 0 HG2 MET A 124 9.212 -0.638 -4.324 1.00 0.64 H new ATOM 0 HG3 MET A 124 9.754 1.004 -4.041 1.00 0.64 H new ATOM 0 HE1 MET A 124 5.781 1.150 -4.175 1.00 0.68 H new ATOM 0 HE2 MET A 124 6.550 -0.440 -3.954 1.00 0.68 H new ATOM 0 HE3 MET A 124 7.206 0.989 -3.121 1.00 0.68 H new ATOM 1853 N ILE A 125 11.663 -2.573 -5.046 1.00 0.65 N ATOM 1854 CA ILE A 125 11.580 -3.825 -4.282 1.00 0.68 C ATOM 1855 C ILE A 125 12.706 -3.964 -3.248 1.00 0.66 C ATOM 1856 O ILE A 125 12.520 -4.575 -2.196 1.00 0.64 O ATOM 1857 CB ILE A 125 11.578 -5.053 -5.244 1.00 0.71 C ATOM 1858 CG1 ILE A 125 10.144 -5.408 -5.638 1.00 0.71 C ATOM 1859 CG2 ILE A 125 12.264 -6.275 -4.633 1.00 0.90 C ATOM 1860 CD1 ILE A 125 9.274 -5.799 -4.460 1.00 0.92 C ATOM 0 H ILE A 125 11.634 -2.706 -6.057 1.00 0.65 H new ATOM 0 HA ILE A 125 10.640 -3.795 -3.730 1.00 0.68 H new ATOM 0 HB ILE A 125 12.147 -4.768 -6.129 1.00 0.71 H new ATOM 0 HG12 ILE A 125 9.693 -4.555 -6.146 1.00 0.71 H new ATOM 0 HG13 ILE A 125 10.165 -6.230 -6.353 1.00 0.71 H new ATOM 0 HG21 ILE A 125 12.235 -7.101 -5.343 1.00 0.90 H new ATOM 0 HG22 ILE A 125 13.301 -6.032 -4.401 1.00 0.90 H new ATOM 0 HG23 ILE A 125 11.746 -6.564 -3.719 1.00 0.90 H new ATOM 0 HD11 ILE A 125 8.271 -6.038 -4.812 1.00 0.92 H new ATOM 0 HD12 ILE A 125 9.702 -6.671 -3.965 1.00 0.92 H new ATOM 0 HD13 ILE A 125 9.223 -4.970 -3.754 1.00 0.92 H new ATOM 1872 N ARG A 126 13.857 -3.371 -3.529 1.00 0.73 N ATOM 1873 CA ARG A 126 14.991 -3.468 -2.621 1.00 0.77 C ATOM 1874 C ARG A 126 14.939 -2.421 -1.509 1.00 0.77 C ATOM 1875 O ARG A 126 15.935 -2.201 -0.818 1.00 0.87 O ATOM 1876 CB ARG A 126 16.304 -3.359 -3.393 1.00 0.81 C ATOM 1877 CG ARG A 126 16.809 -4.701 -3.900 1.00 0.93 C ATOM 1878 CD ARG A 126 18.000 -4.541 -4.833 1.00 0.94 C ATOM 1879 NE ARG A 126 17.587 -4.251 -6.205 1.00 0.90 N ATOM 1880 CZ ARG A 126 17.760 -3.084 -6.822 1.00 0.83 C ATOM 1881 NH1 ARG A 126 18.337 -2.066 -6.191 1.00 0.81 N ATOM 1882 NH2 ARG A 126 17.357 -2.941 -8.080 1.00 0.89 N ATOM 0 H ARG A 126 14.030 -2.822 -4.371 1.00 0.73 H new ATOM 0 HA ARG A 126 14.935 -4.446 -2.144 1.00 0.77 H new ATOM 0 HB2 ARG A 126 16.167 -2.686 -4.239 1.00 0.81 H new ATOM 0 HB3 ARG A 126 17.061 -2.912 -2.749 1.00 0.81 H new ATOM 0 HG2 ARG A 126 17.092 -5.326 -3.053 1.00 0.93 H new ATOM 0 HG3 ARG A 126 16.004 -5.218 -4.423 1.00 0.93 H new ATOM 0 HD2 ARG A 126 18.640 -3.737 -4.469 1.00 0.94 H new ATOM 0 HD3 ARG A 126 18.596 -5.453 -4.819 1.00 0.94 H new ATOM 0 HE ARG A 126 17.132 -4.999 -6.729 1.00 0.90 H new ATOM 0 HH11 ARG A 126 18.651 -2.176 -5.227 1.00 0.81 H new ATOM 0 HH12 ARG A 126 18.466 -1.175 -6.671 1.00 0.81 H new ATOM 0 HH21 ARG A 126 16.918 -3.723 -8.567 1.00 0.89 H new ATOM 0 HH22 ARG A 126 17.486 -2.050 -8.559 1.00 0.89 H new ATOM 1896 N GLU A 127 13.791 -1.774 -1.327 1.00 0.76 N ATOM 1897 CA GLU A 127 13.666 -0.786 -0.268 1.00 0.77 C ATOM 1898 C GLU A 127 13.375 -1.503 1.043 1.00 0.74 C ATOM 1899 O GLU A 127 13.947 -1.177 2.084 1.00 0.75 O ATOM 1900 CB GLU A 127 12.592 0.271 -0.599 1.00 0.88 C ATOM 1901 CG GLU A 127 11.231 0.031 0.036 1.00 0.97 C ATOM 1902 CD GLU A 127 10.324 -0.789 -0.844 1.00 1.39 C ATOM 1903 OE1 GLU A 127 10.527 -2.020 -0.916 1.00 2.04 O ATOM 1904 OE2 GLU A 127 9.425 -0.201 -1.471 1.00 1.87 O ATOM 0 H GLU A 127 12.951 -1.914 -1.889 1.00 0.76 H new ATOM 0 HA GLU A 127 14.605 -0.241 -0.172 1.00 0.77 H new ATOM 0 HB2 GLU A 127 12.956 1.248 -0.281 1.00 0.88 H new ATOM 0 HB3 GLU A 127 12.468 0.313 -1.681 1.00 0.88 H new ATOM 0 HG2 GLU A 127 11.363 -0.477 0.991 1.00 0.97 H new ATOM 0 HG3 GLU A 127 10.758 0.990 0.248 1.00 0.97 H new ATOM 1911 N ALA A 128 12.506 -2.498 0.973 1.00 0.78 N ATOM 1912 CA ALA A 128 12.145 -3.285 2.134 1.00 0.82 C ATOM 1913 C ALA A 128 12.904 -4.602 2.142 1.00 0.74 C ATOM 1914 O ALA A 128 12.935 -5.303 3.152 1.00 0.76 O ATOM 1915 CB ALA A 128 10.646 -3.537 2.155 1.00 0.96 C ATOM 0 H ALA A 128 12.035 -2.780 0.113 1.00 0.78 H new ATOM 0 HA ALA A 128 12.417 -2.726 3.029 1.00 0.82 H new ATOM 0 HB1 ALA A 128 10.389 -4.130 3.033 1.00 0.96 H new ATOM 0 HB2 ALA A 128 10.117 -2.584 2.193 1.00 0.96 H new ATOM 0 HB3 ALA A 128 10.355 -4.078 1.254 1.00 0.96 H new ATOM 1921 N ASP A 129 13.517 -4.934 1.012 1.00 0.71 N ATOM 1922 CA ASP A 129 14.275 -6.171 0.897 1.00 0.68 C ATOM 1923 C ASP A 129 15.625 -6.020 1.581 1.00 0.71 C ATOM 1924 O ASP A 129 16.562 -5.460 1.014 1.00 0.78 O ATOM 1925 CB ASP A 129 14.478 -6.564 -0.568 1.00 0.69 C ATOM 1926 CG ASP A 129 14.898 -8.015 -0.722 1.00 0.71 C ATOM 1927 OD1 ASP A 129 14.971 -8.727 0.303 1.00 0.87 O ATOM 1928 OD2 ASP A 129 15.156 -8.453 -1.856 1.00 0.76 O ATOM 0 H ASP A 129 13.503 -4.365 0.166 1.00 0.71 H new ATOM 0 HA ASP A 129 13.705 -6.961 1.386 1.00 0.68 H new ATOM 0 HB2 ASP A 129 13.553 -6.395 -1.119 1.00 0.69 H new ATOM 0 HB3 ASP A 129 15.236 -5.919 -1.013 1.00 0.69 H new ATOM 1933 N ILE A 130 15.714 -6.518 2.799 1.00 0.74 N ATOM 1934 CA ILE A 130 16.943 -6.428 3.567 1.00 0.81 C ATOM 1935 C ILE A 130 17.907 -7.550 3.212 1.00 0.84 C ATOM 1936 O ILE A 130 19.088 -7.309 2.966 1.00 0.92 O ATOM 1937 CB ILE A 130 16.665 -6.478 5.081 1.00 0.88 C ATOM 1938 CG1 ILE A 130 15.760 -5.314 5.500 1.00 0.86 C ATOM 1939 CG2 ILE A 130 17.970 -6.452 5.868 1.00 1.01 C ATOM 1940 CD1 ILE A 130 16.343 -3.948 5.206 1.00 0.88 C ATOM 0 H ILE A 130 14.949 -6.990 3.280 1.00 0.74 H new ATOM 0 HA ILE A 130 17.396 -5.470 3.313 1.00 0.81 H new ATOM 0 HB ILE A 130 16.150 -7.412 5.304 1.00 0.88 H new ATOM 0 HG12 ILE A 130 14.803 -5.408 4.987 1.00 0.86 H new ATOM 0 HG13 ILE A 130 15.558 -5.390 6.568 1.00 0.86 H new ATOM 0 HG21 ILE A 130 17.752 -6.488 6.935 1.00 1.01 H new ATOM 0 HG22 ILE A 130 18.578 -7.314 5.593 1.00 1.01 H new ATOM 0 HG23 ILE A 130 18.514 -5.536 5.640 1.00 1.01 H new ATOM 0 HD11 ILE A 130 15.645 -3.177 5.531 1.00 0.88 H new ATOM 0 HD12 ILE A 130 17.286 -3.832 5.740 1.00 0.88 H new ATOM 0 HD13 ILE A 130 16.519 -3.850 4.135 1.00 0.88 H new ATOM 1952 N ASP A 131 17.401 -8.772 3.172 1.00 0.83 N ATOM 1953 CA ASP A 131 18.240 -9.927 2.871 1.00 0.87 C ATOM 1954 C ASP A 131 18.607 -9.973 1.401 1.00 0.89 C ATOM 1955 O ASP A 131 19.563 -10.651 1.016 1.00 0.98 O ATOM 1956 CB ASP A 131 17.580 -11.253 3.284 1.00 0.88 C ATOM 1957 CG ASP A 131 16.067 -11.261 3.190 1.00 0.84 C ATOM 1958 OD1 ASP A 131 15.508 -10.683 2.238 1.00 1.02 O ATOM 1959 OD2 ASP A 131 15.432 -11.864 4.077 1.00 0.88 O ATOM 0 H ASP A 131 16.420 -8.992 3.343 1.00 0.83 H new ATOM 0 HA ASP A 131 19.149 -9.807 3.461 1.00 0.87 H new ATOM 0 HB2 ASP A 131 17.974 -12.051 2.655 1.00 0.88 H new ATOM 0 HB3 ASP A 131 17.868 -11.483 4.310 1.00 0.88 H new ATOM 1964 N GLY A 132 17.859 -9.252 0.582 1.00 0.87 N ATOM 1965 CA GLY A 132 18.136 -9.235 -0.834 1.00 0.92 C ATOM 1966 C GLY A 132 17.800 -10.563 -1.462 1.00 0.92 C ATOM 1967 O GLY A 132 18.611 -11.152 -2.170 1.00 0.94 O ATOM 0 H GLY A 132 17.067 -8.680 0.874 1.00 0.87 H new ATOM 0 HA2 GLY A 132 17.558 -8.445 -1.313 1.00 0.92 H new ATOM 0 HA3 GLY A 132 19.188 -9.005 -1.000 1.00 0.92 H new ATOM 1971 N ASP A 133 16.604 -11.047 -1.179 1.00 0.94 N ATOM 1972 CA ASP A 133 16.155 -12.326 -1.708 1.00 0.94 C ATOM 1973 C ASP A 133 15.236 -12.111 -2.903 1.00 0.89 C ATOM 1974 O ASP A 133 14.865 -13.057 -3.599 1.00 0.95 O ATOM 1975 CB ASP A 133 15.455 -13.145 -0.609 1.00 0.91 C ATOM 1976 CG ASP A 133 13.983 -12.810 -0.433 1.00 0.84 C ATOM 1977 OD1 ASP A 133 13.675 -11.697 0.054 1.00 0.79 O ATOM 1978 OD2 ASP A 133 13.132 -13.670 -0.755 1.00 0.95 O ATOM 0 H ASP A 133 15.923 -10.574 -0.585 1.00 0.94 H new ATOM 0 HA ASP A 133 17.023 -12.891 -2.047 1.00 0.94 H new ATOM 0 HB2 ASP A 133 15.551 -14.205 -0.843 1.00 0.91 H new ATOM 0 HB3 ASP A 133 15.971 -12.980 0.337 1.00 0.91 H new ATOM 1983 N GLY A 134 14.886 -10.853 -3.143 1.00 0.84 N ATOM 1984 CA GLY A 134 14.027 -10.516 -4.258 1.00 0.84 C ATOM 1985 C GLY A 134 12.577 -10.451 -3.848 1.00 0.74 C ATOM 1986 O GLY A 134 11.693 -10.264 -4.682 1.00 0.78 O ATOM 0 H GLY A 134 15.185 -10.057 -2.580 1.00 0.84 H new ATOM 0 HA2 GLY A 134 14.331 -9.555 -4.673 1.00 0.84 H new ATOM 0 HA3 GLY A 134 14.149 -11.257 -5.048 1.00 0.84 H new ATOM 1990 N GLN A 135 12.336 -10.612 -2.559 1.00 0.69 N ATOM 1991 CA GLN A 135 10.988 -10.574 -2.036 1.00 0.65 C ATOM 1992 C GLN A 135 10.910 -9.751 -0.763 1.00 0.63 C ATOM 1993 O GLN A 135 11.911 -9.532 -0.078 1.00 0.73 O ATOM 1994 CB GLN A 135 10.483 -11.986 -1.746 1.00 0.68 C ATOM 1995 CG GLN A 135 10.012 -12.739 -2.978 1.00 0.77 C ATOM 1996 CD GLN A 135 9.879 -14.234 -2.744 1.00 0.88 C ATOM 1997 OE1 GLN A 135 8.990 -14.880 -3.298 1.00 1.26 O ATOM 1998 NE2 GLN A 135 10.766 -14.796 -1.940 1.00 1.23 N ATOM 0 H GLN A 135 13.059 -10.770 -1.857 1.00 0.69 H new ATOM 0 HA GLN A 135 10.361 -10.108 -2.796 1.00 0.65 H new ATOM 0 HB2 GLN A 135 11.280 -12.555 -1.268 1.00 0.68 H new ATOM 0 HB3 GLN A 135 9.661 -11.927 -1.032 1.00 0.68 H new ATOM 0 HG2 GLN A 135 9.049 -12.339 -3.295 1.00 0.77 H new ATOM 0 HG3 GLN A 135 10.714 -12.565 -3.794 1.00 0.77 H new ATOM 0 HE21 GLN A 135 11.488 -14.226 -1.499 1.00 1.23 H new ATOM 0 HE22 GLN A 135 10.728 -15.799 -1.761 1.00 1.23 H new ATOM 2007 N VAL A 136 9.713 -9.283 -0.468 1.00 0.60 N ATOM 2008 CA VAL A 136 9.450 -8.525 0.735 1.00 0.59 C ATOM 2009 C VAL A 136 8.500 -9.336 1.608 1.00 0.58 C ATOM 2010 O VAL A 136 7.366 -9.608 1.205 1.00 0.61 O ATOM 2011 CB VAL A 136 8.817 -7.146 0.434 1.00 0.60 C ATOM 2012 CG1 VAL A 136 8.519 -6.402 1.727 1.00 0.59 C ATOM 2013 CG2 VAL A 136 9.715 -6.307 -0.469 1.00 0.69 C ATOM 0 H VAL A 136 8.894 -9.420 -1.060 1.00 0.60 H new ATOM 0 HA VAL A 136 10.398 -8.341 1.241 1.00 0.59 H new ATOM 0 HB VAL A 136 7.880 -7.319 -0.095 1.00 0.60 H new ATOM 0 HG11 VAL A 136 8.074 -5.434 1.496 1.00 0.59 H new ATOM 0 HG12 VAL A 136 7.824 -6.986 2.331 1.00 0.59 H new ATOM 0 HG13 VAL A 136 9.445 -6.252 2.282 1.00 0.59 H new ATOM 0 HG21 VAL A 136 9.241 -5.345 -0.661 1.00 0.69 H new ATOM 0 HG22 VAL A 136 10.676 -6.147 0.021 1.00 0.69 H new ATOM 0 HG23 VAL A 136 9.871 -6.829 -1.413 1.00 0.69 H new ATOM 2023 N ASN A 137 8.963 -9.767 2.772 1.00 0.58 N ATOM 2024 CA ASN A 137 8.112 -10.546 3.663 1.00 0.59 C ATOM 2025 C ASN A 137 7.396 -9.634 4.644 1.00 0.59 C ATOM 2026 O ASN A 137 7.623 -8.424 4.656 1.00 0.59 O ATOM 2027 CB ASN A 137 8.894 -11.647 4.405 1.00 0.61 C ATOM 2028 CG ASN A 137 10.002 -11.137 5.310 1.00 0.63 C ATOM 2029 OD1 ASN A 137 9.885 -10.093 5.934 1.00 0.97 O ATOM 2030 ND2 ASN A 137 11.089 -11.893 5.398 1.00 0.86 N ATOM 0 H ASN A 137 9.907 -9.595 3.119 1.00 0.58 H new ATOM 0 HA ASN A 137 7.369 -11.050 3.044 1.00 0.59 H new ATOM 0 HB2 ASN A 137 8.194 -12.231 5.003 1.00 0.61 H new ATOM 0 HB3 ASN A 137 9.327 -12.325 3.669 1.00 0.61 H new ATOM 0 HD21 ASN A 137 11.861 -11.608 6.001 1.00 0.86 H new ATOM 0 HD22 ASN A 137 11.153 -12.759 4.863 1.00 0.86 H new ATOM 2037 N TYR A 138 6.535 -10.224 5.454 1.00 0.61 N ATOM 2038 CA TYR A 138 5.760 -9.484 6.438 1.00 0.63 C ATOM 2039 C TYR A 138 6.671 -8.662 7.356 1.00 0.63 C ATOM 2040 O TYR A 138 6.441 -7.473 7.558 1.00 0.65 O ATOM 2041 CB TYR A 138 4.910 -10.467 7.251 1.00 0.67 C ATOM 2042 CG TYR A 138 3.678 -9.854 7.880 1.00 0.72 C ATOM 2043 CD1 TYR A 138 3.728 -9.269 9.140 1.00 0.89 C ATOM 2044 CD2 TYR A 138 2.458 -9.877 7.216 1.00 0.90 C ATOM 2045 CE1 TYR A 138 2.595 -8.721 9.718 1.00 1.04 C ATOM 2046 CE2 TYR A 138 1.325 -9.334 7.788 1.00 1.10 C ATOM 2047 CZ TYR A 138 1.397 -8.758 9.037 1.00 1.10 C ATOM 2048 OH TYR A 138 0.263 -8.219 9.608 1.00 1.35 O ATOM 0 H TYR A 138 6.352 -11.228 5.450 1.00 0.61 H new ATOM 0 HA TYR A 138 5.105 -8.783 5.920 1.00 0.63 H new ATOM 0 HB2 TYR A 138 4.602 -11.286 6.601 1.00 0.67 H new ATOM 0 HB3 TYR A 138 5.528 -10.899 8.038 1.00 0.67 H new ATOM 0 HD1 TYR A 138 4.665 -9.241 9.677 1.00 0.89 H new ATOM 0 HD2 TYR A 138 2.395 -10.327 6.236 1.00 0.90 H new ATOM 0 HE1 TYR A 138 2.650 -8.267 10.697 1.00 1.04 H new ATOM 0 HE2 TYR A 138 0.385 -9.361 7.258 1.00 1.10 H new ATOM 0 HH TYR A 138 -0.333 -7.889 8.903 1.00 1.35 H new ATOM 2058 N GLU A 139 7.716 -9.296 7.876 1.00 0.64 N ATOM 2059 CA GLU A 139 8.667 -8.637 8.772 1.00 0.66 C ATOM 2060 C GLU A 139 9.311 -7.423 8.107 1.00 0.62 C ATOM 2061 O GLU A 139 9.409 -6.348 8.706 1.00 0.60 O ATOM 2062 CB GLU A 139 9.759 -9.618 9.203 1.00 0.72 C ATOM 2063 CG GLU A 139 9.302 -10.635 10.237 1.00 1.39 C ATOM 2064 CD GLU A 139 8.320 -11.654 9.683 1.00 1.99 C ATOM 2065 OE1 GLU A 139 8.341 -11.916 8.461 1.00 2.39 O ATOM 2066 OE2 GLU A 139 7.529 -12.208 10.472 1.00 2.60 O ATOM 0 H GLU A 139 7.930 -10.276 7.691 1.00 0.64 H new ATOM 0 HA GLU A 139 8.112 -8.299 9.647 1.00 0.66 H new ATOM 0 HB2 GLU A 139 10.125 -10.148 8.324 1.00 0.72 H new ATOM 0 HB3 GLU A 139 10.600 -9.055 9.609 1.00 0.72 H new ATOM 0 HG2 GLU A 139 10.173 -11.158 10.633 1.00 1.39 H new ATOM 0 HG3 GLU A 139 8.838 -10.110 11.072 1.00 1.39 H new ATOM 2073 N GLU A 140 9.744 -7.606 6.870 1.00 0.61 N ATOM 2074 CA GLU A 140 10.383 -6.545 6.106 1.00 0.59 C ATOM 2075 C GLU A 140 9.402 -5.402 5.844 1.00 0.55 C ATOM 2076 O GLU A 140 9.768 -4.230 5.912 1.00 0.55 O ATOM 2077 CB GLU A 140 10.927 -7.114 4.790 1.00 0.60 C ATOM 2078 CG GLU A 140 12.042 -8.137 4.988 1.00 0.63 C ATOM 2079 CD GLU A 140 12.529 -8.753 3.687 1.00 0.62 C ATOM 2080 OE1 GLU A 140 11.771 -9.506 3.038 1.00 0.63 O ATOM 2081 OE2 GLU A 140 13.690 -8.513 3.294 1.00 0.66 O ATOM 0 H GLU A 140 9.663 -8.490 6.368 1.00 0.61 H new ATOM 0 HA GLU A 140 11.214 -6.141 6.684 1.00 0.59 H new ATOM 0 HB2 GLU A 140 10.110 -7.580 4.239 1.00 0.60 H new ATOM 0 HB3 GLU A 140 11.300 -6.295 4.175 1.00 0.60 H new ATOM 0 HG2 GLU A 140 12.881 -7.657 5.491 1.00 0.63 H new ATOM 0 HG3 GLU A 140 11.686 -8.929 5.647 1.00 0.63 H new ATOM 2088 N PHE A 141 8.145 -5.753 5.574 1.00 0.55 N ATOM 2089 CA PHE A 141 7.111 -4.758 5.307 1.00 0.54 C ATOM 2090 C PHE A 141 6.753 -3.986 6.581 1.00 0.55 C ATOM 2091 O PHE A 141 6.557 -2.771 6.541 1.00 0.56 O ATOM 2092 CB PHE A 141 5.862 -5.433 4.733 1.00 0.62 C ATOM 2093 CG PHE A 141 4.923 -4.501 4.010 1.00 0.62 C ATOM 2094 CD1 PHE A 141 5.360 -3.727 2.937 1.00 0.59 C ATOM 2095 CD2 PHE A 141 3.595 -4.414 4.395 1.00 0.80 C ATOM 2096 CE1 PHE A 141 4.482 -2.888 2.271 1.00 0.68 C ATOM 2097 CE2 PHE A 141 2.717 -3.580 3.730 1.00 0.88 C ATOM 2098 CZ PHE A 141 3.161 -2.816 2.668 1.00 0.79 C ATOM 0 H PHE A 141 7.820 -6.719 5.535 1.00 0.55 H new ATOM 0 HA PHE A 141 7.501 -4.050 4.575 1.00 0.54 H new ATOM 0 HB2 PHE A 141 6.173 -6.220 4.046 1.00 0.62 H new ATOM 0 HB3 PHE A 141 5.320 -5.916 5.546 1.00 0.62 H new ATOM 0 HD1 PHE A 141 6.392 -3.782 2.622 1.00 0.59 H new ATOM 0 HD2 PHE A 141 3.241 -5.006 5.226 1.00 0.80 H new ATOM 0 HE1 PHE A 141 4.830 -2.290 1.442 1.00 0.68 H new ATOM 0 HE2 PHE A 141 1.684 -3.525 4.040 1.00 0.88 H new ATOM 0 HZ PHE A 141 2.476 -2.163 2.148 1.00 0.79 H new ATOM 2108 N VAL A 142 6.674 -4.693 7.707 1.00 0.57 N ATOM 2109 CA VAL A 142 6.341 -4.062 8.987 1.00 0.60 C ATOM 2110 C VAL A 142 7.391 -3.027 9.360 1.00 0.59 C ATOM 2111 O VAL A 142 7.073 -1.882 9.687 1.00 0.58 O ATOM 2112 CB VAL A 142 6.217 -5.099 10.135 1.00 0.65 C ATOM 2113 CG1 VAL A 142 6.000 -4.410 11.479 1.00 0.70 C ATOM 2114 CG2 VAL A 142 5.090 -6.079 9.859 1.00 0.66 C ATOM 0 H VAL A 142 6.835 -5.699 7.761 1.00 0.57 H new ATOM 0 HA VAL A 142 5.373 -3.579 8.858 1.00 0.60 H new ATOM 0 HB VAL A 142 7.155 -5.652 10.182 1.00 0.65 H new ATOM 0 HG11 VAL A 142 5.917 -5.162 12.264 1.00 0.70 H new ATOM 0 HG12 VAL A 142 6.844 -3.754 11.692 1.00 0.70 H new ATOM 0 HG13 VAL A 142 5.084 -3.821 11.442 1.00 0.70 H new ATOM 0 HG21 VAL A 142 5.023 -6.796 10.677 1.00 0.66 H new ATOM 0 HG22 VAL A 142 4.149 -5.536 9.774 1.00 0.66 H new ATOM 0 HG23 VAL A 142 5.289 -6.609 8.928 1.00 0.66 H new ATOM 2124 N GLN A 143 8.653 -3.426 9.282 1.00 0.61 N ATOM 2125 CA GLN A 143 9.762 -2.547 9.630 1.00 0.62 C ATOM 2126 C GLN A 143 9.927 -1.405 8.627 1.00 0.59 C ATOM 2127 O GLN A 143 10.732 -0.502 8.841 1.00 0.69 O ATOM 2128 CB GLN A 143 11.056 -3.344 9.718 1.00 0.72 C ATOM 2129 CG GLN A 143 11.049 -4.406 10.806 1.00 1.03 C ATOM 2130 CD GLN A 143 12.451 -4.842 11.180 1.00 1.17 C ATOM 2131 OE1 GLN A 143 13.387 -4.043 11.155 1.00 1.50 O ATOM 2132 NE2 GLN A 143 12.609 -6.110 11.524 1.00 1.47 N ATOM 0 H GLN A 143 8.936 -4.358 8.979 1.00 0.61 H new ATOM 0 HA GLN A 143 9.534 -2.107 10.601 1.00 0.62 H new ATOM 0 HB2 GLN A 143 11.243 -3.823 8.757 1.00 0.72 H new ATOM 0 HB3 GLN A 143 11.883 -2.658 9.898 1.00 0.72 H new ATOM 0 HG2 GLN A 143 10.542 -4.017 11.689 1.00 1.03 H new ATOM 0 HG3 GLN A 143 10.479 -5.270 10.466 1.00 1.03 H new ATOM 0 HE21 GLN A 143 11.807 -6.740 11.532 1.00 1.47 H new ATOM 0 HE22 GLN A 143 13.533 -6.457 11.781 1.00 1.47 H new ATOM 2141 N MET A 144 9.164 -1.443 7.545 1.00 0.57 N ATOM 2142 CA MET A 144 9.242 -0.400 6.528 1.00 0.62 C ATOM 2143 C MET A 144 8.052 0.554 6.623 1.00 0.62 C ATOM 2144 O MET A 144 8.208 1.767 6.510 1.00 0.70 O ATOM 2145 CB MET A 144 9.299 -1.027 5.130 1.00 0.72 C ATOM 2146 CG MET A 144 10.439 -0.509 4.265 1.00 0.84 C ATOM 2147 SD MET A 144 10.124 1.130 3.583 1.00 0.89 S ATOM 2148 CE MET A 144 8.723 0.800 2.509 1.00 0.88 C ATOM 0 H MET A 144 8.487 -2.180 7.347 1.00 0.57 H new ATOM 0 HA MET A 144 10.153 0.172 6.703 1.00 0.62 H new ATOM 0 HB2 MET A 144 9.396 -2.108 5.232 1.00 0.72 H new ATOM 0 HB3 MET A 144 8.355 -0.838 4.620 1.00 0.72 H new ATOM 0 HG2 MET A 144 11.353 -0.479 4.859 1.00 0.84 H new ATOM 0 HG3 MET A 144 10.613 -1.208 3.447 1.00 0.84 H new ATOM 0 HE1 MET A 144 8.885 1.277 1.542 1.00 0.88 H new ATOM 0 HE2 MET A 144 8.617 -0.276 2.369 1.00 0.88 H new ATOM 0 HE3 MET A 144 7.815 1.198 2.962 1.00 0.88 H new ATOM 2158 N MET A 145 6.867 0.007 6.856 1.00 0.62 N ATOM 2159 CA MET A 145 5.656 0.821 6.937 1.00 0.70 C ATOM 2160 C MET A 145 5.449 1.394 8.334 1.00 0.69 C ATOM 2161 O MET A 145 5.118 2.571 8.493 1.00 0.74 O ATOM 2162 CB MET A 145 4.424 -0.005 6.551 1.00 0.81 C ATOM 2163 CG MET A 145 3.969 0.199 5.113 1.00 1.05 C ATOM 2164 SD MET A 145 2.306 0.901 4.991 1.00 0.94 S ATOM 2165 CE MET A 145 1.358 -0.248 5.995 1.00 1.47 C ATOM 0 H MET A 145 6.716 -0.992 6.992 1.00 0.62 H new ATOM 0 HA MET A 145 5.783 1.647 6.238 1.00 0.70 H new ATOM 0 HB2 MET A 145 4.644 -1.061 6.705 1.00 0.81 H new ATOM 0 HB3 MET A 145 3.603 0.251 7.221 1.00 0.81 H new ATOM 0 HG2 MET A 145 4.674 0.857 4.605 1.00 1.05 H new ATOM 0 HG3 MET A 145 3.993 -0.758 4.591 1.00 1.05 H new ATOM 0 HE1 MET A 145 0.312 -0.221 5.689 1.00 1.47 H new ATOM 0 HE2 MET A 145 1.750 -1.256 5.862 1.00 1.47 H new ATOM 0 HE3 MET A 145 1.436 0.036 7.045 1.00 1.47 H new ATOM 2175 N THR A 146 5.648 0.560 9.338 1.00 0.68 N ATOM 2176 CA THR A 146 5.452 0.964 10.720 1.00 0.74 C ATOM 2177 C THR A 146 6.680 1.680 11.275 1.00 0.81 C ATOM 2178 O THR A 146 6.569 2.559 12.132 1.00 0.94 O ATOM 2179 CB THR A 146 5.130 -0.264 11.582 1.00 0.89 C ATOM 2180 OG1 THR A 146 4.161 -1.080 10.913 1.00 0.93 O ATOM 2181 CG2 THR A 146 4.607 0.147 12.948 1.00 1.07 C ATOM 0 H THR A 146 5.947 -0.408 9.222 1.00 0.68 H new ATOM 0 HA THR A 146 4.615 1.662 10.749 1.00 0.74 H new ATOM 0 HB THR A 146 6.049 -0.832 11.729 1.00 0.89 H new ATOM 0 HG1 THR A 146 3.389 -0.531 10.661 1.00 0.93 H new ATOM 0 HG21 THR A 146 4.387 -0.744 13.537 1.00 1.07 H new ATOM 0 HG22 THR A 146 5.360 0.745 13.461 1.00 1.07 H new ATOM 0 HG23 THR A 146 3.697 0.736 12.827 1.00 1.07 H new ATOM 2189 N ALA A 147 7.850 1.306 10.779 1.00 0.91 N ATOM 2190 CA ALA A 147 9.094 1.912 11.223 1.00 1.05 C ATOM 2191 C ALA A 147 9.727 2.724 10.102 1.00 1.22 C ATOM 2192 O ALA A 147 9.029 3.175 9.189 1.00 1.28 O ATOM 2193 CB ALA A 147 10.060 0.850 11.726 1.00 1.33 C ATOM 0 H ALA A 147 7.963 0.584 10.067 1.00 0.91 H new ATOM 0 HA ALA A 147 8.868 2.587 12.048 1.00 1.05 H new ATOM 0 HB1 ALA A 147 10.985 1.325 12.053 1.00 1.33 H new ATOM 0 HB2 ALA A 147 9.610 0.316 12.563 1.00 1.33 H new ATOM 0 HB3 ALA A 147 10.278 0.147 10.922 1.00 1.33 H new TER 2199 ALA A 147 ATOM 2200 N MET B 1 -9.247 -0.117 2.166 1.00 1.22 N ATOM 2201 CA MET B 1 -9.115 -1.378 1.409 1.00 0.87 C ATOM 2202 C MET B 1 -8.547 -1.113 0.019 1.00 0.74 C ATOM 2203 O MET B 1 -7.376 -1.354 -0.236 1.00 0.83 O ATOM 2204 CB MET B 1 -10.473 -2.080 1.289 1.00 1.06 C ATOM 2205 CG MET B 1 -10.376 -3.542 0.875 1.00 1.77 C ATOM 2206 SD MET B 1 -9.417 -4.533 2.031 1.00 2.30 S ATOM 2207 CE MET B 1 -10.473 -4.451 3.480 1.00 2.55 C ATOM 0 H1 MET B 1 -9.997 -0.217 2.879 1.00 1.22 H new ATOM 0 H2 MET B 1 -8.347 0.100 2.639 1.00 1.22 H new ATOM 0 H3 MET B 1 -9.490 0.656 1.514 1.00 1.22 H new ATOM 0 HA MET B 1 -8.429 -2.027 1.953 1.00 0.87 H new ATOM 0 HB2 MET B 1 -10.990 -2.017 2.247 1.00 1.06 H new ATOM 0 HB3 MET B 1 -11.084 -1.546 0.561 1.00 1.06 H new ATOM 0 HG2 MET B 1 -11.380 -3.959 0.792 1.00 1.77 H new ATOM 0 HG3 MET B 1 -9.922 -3.605 -0.114 1.00 1.77 H new ATOM 0 HE1 MET B 1 -9.956 -3.916 4.277 1.00 2.55 H new ATOM 0 HE2 MET B 1 -11.395 -3.926 3.229 1.00 2.55 H new ATOM 0 HE3 MET B 1 -10.710 -5.461 3.815 1.00 2.55 H new ATOM 2219 N ASP B 2 -9.357 -0.542 -0.854 1.00 0.76 N ATOM 2220 CA ASP B 2 -8.945 -0.275 -2.229 1.00 0.78 C ATOM 2221 C ASP B 2 -8.240 1.067 -2.343 1.00 0.70 C ATOM 2222 O ASP B 2 -7.024 1.127 -2.527 1.00 0.70 O ATOM 2223 CB ASP B 2 -10.178 -0.300 -3.132 1.00 0.98 C ATOM 2224 CG ASP B 2 -11.434 0.009 -2.346 1.00 1.25 C ATOM 2225 OD1 ASP B 2 -11.456 1.054 -1.661 1.00 1.67 O ATOM 2226 OD2 ASP B 2 -12.371 -0.811 -2.373 1.00 1.88 O ATOM 0 H ASP B 2 -10.310 -0.251 -0.638 1.00 0.76 H new ATOM 0 HA ASP B 2 -8.240 -1.046 -2.540 1.00 0.78 H new ATOM 0 HB2 ASP B 2 -10.059 0.427 -3.935 1.00 0.98 H new ATOM 0 HB3 ASP B 2 -10.270 -1.280 -3.600 1.00 0.98 H new ATOM 2231 N CYS B 3 -8.999 2.144 -2.208 1.00 0.64 N ATOM 2232 CA CYS B 3 -8.442 3.483 -2.298 1.00 0.57 C ATOM 2233 C CYS B 3 -7.402 3.707 -1.202 1.00 0.57 C ATOM 2234 O CYS B 3 -6.442 4.457 -1.386 1.00 0.59 O ATOM 2235 CB CYS B 3 -9.567 4.521 -2.245 1.00 0.51 C ATOM 2236 SG CYS B 3 -10.684 4.490 -3.690 1.00 0.42 S ATOM 0 H CYS B 3 -10.004 2.115 -2.035 1.00 0.64 H new ATOM 0 HA CYS B 3 -7.929 3.597 -3.253 1.00 0.57 H new ATOM 0 HB2 CYS B 3 -10.155 4.357 -1.342 1.00 0.51 H new ATOM 0 HB3 CYS B 3 -9.126 5.514 -2.162 1.00 0.51 H new ATOM 0 HG CYS B 3 -9.982 4.392 -4.779 1.00 0.42 H new ATOM 2242 N LEU B 4 -7.571 3.024 -0.082 1.00 0.59 N ATOM 2243 CA LEU B 4 -6.626 3.127 1.032 1.00 0.61 C ATOM 2244 C LEU B 4 -5.358 2.345 0.724 1.00 0.57 C ATOM 2245 O LEU B 4 -4.274 2.799 1.068 1.00 0.56 O ATOM 2246 CB LEU B 4 -7.280 2.639 2.323 1.00 0.67 C ATOM 2247 CG LEU B 4 -6.528 2.966 3.613 1.00 0.90 C ATOM 2248 CD1 LEU B 4 -6.005 4.391 3.578 1.00 1.09 C ATOM 2249 CD2 LEU B 4 -7.429 2.755 4.820 1.00 1.25 C ATOM 0 H LEU B 4 -8.352 2.390 0.086 1.00 0.59 H new ATOM 0 HA LEU B 4 -6.348 4.172 1.168 1.00 0.61 H new ATOM 0 HB2 LEU B 4 -8.279 3.070 2.388 1.00 0.67 H new ATOM 0 HB3 LEU B 4 -7.403 1.558 2.260 1.00 0.67 H new ATOM 0 HG LEU B 4 -5.676 2.291 3.697 1.00 0.90 H new ATOM 0 HD11 LEU B 4 -5.472 4.606 4.504 1.00 1.09 H new ATOM 0 HD12 LEU B 4 -5.326 4.509 2.733 1.00 1.09 H new ATOM 0 HD13 LEU B 4 -6.841 5.083 3.471 1.00 1.09 H new ATOM 0 HD21 LEU B 4 -6.879 2.992 5.731 1.00 1.25 H new ATOM 0 HD22 LEU B 4 -8.300 3.406 4.742 1.00 1.25 H new ATOM 0 HD23 LEU B 4 -7.755 1.715 4.853 1.00 1.25 H new ATOM 2261 N CYS B 5 -5.464 1.192 0.042 1.00 0.58 N ATOM 2262 CA CYS B 5 -4.256 0.443 -0.303 1.00 0.57 C ATOM 2263 C CYS B 5 -3.439 1.268 -1.275 1.00 0.59 C ATOM 2264 O CYS B 5 -2.232 1.096 -1.391 1.00 0.61 O ATOM 2265 CB CYS B 5 -4.561 -0.949 -0.875 1.00 0.61 C ATOM 2266 SG CYS B 5 -5.021 -0.979 -2.629 1.00 0.60 S ATOM 0 H CYS B 5 -6.341 0.775 -0.269 1.00 0.58 H new ATOM 0 HA CYS B 5 -3.687 0.267 0.610 1.00 0.57 H new ATOM 0 HB2 CYS B 5 -3.685 -1.582 -0.735 1.00 0.61 H new ATOM 0 HB3 CYS B 5 -5.371 -1.393 -0.296 1.00 0.61 H new ATOM 0 HG CYS B 5 -6.042 -0.198 -2.823 1.00 0.60 H new ATOM 2272 N ILE B 6 -4.114 2.175 -1.972 1.00 0.59 N ATOM 2273 CA ILE B 6 -3.445 3.077 -2.879 1.00 0.61 C ATOM 2274 C ILE B 6 -2.644 4.077 -2.055 1.00 0.58 C ATOM 2275 O ILE B 6 -1.514 4.420 -2.401 1.00 0.60 O ATOM 2276 CB ILE B 6 -4.450 3.813 -3.805 1.00 0.60 C ATOM 2277 CG1 ILE B 6 -4.636 3.022 -5.109 1.00 0.61 C ATOM 2278 CG2 ILE B 6 -3.997 5.245 -4.089 1.00 0.62 C ATOM 2279 CD1 ILE B 6 -4.903 3.878 -6.326 1.00 0.53 C ATOM 0 H ILE B 6 -5.125 2.299 -1.921 1.00 0.59 H new ATOM 0 HA ILE B 6 -2.782 2.504 -3.528 1.00 0.61 H new ATOM 0 HB ILE B 6 -5.411 3.874 -3.294 1.00 0.60 H new ATOM 0 HG12 ILE B 6 -3.742 2.426 -5.289 1.00 0.61 H new ATOM 0 HG13 ILE B 6 -5.464 2.325 -4.982 1.00 0.61 H new ATOM 0 HG21 ILE B 6 -4.722 5.734 -4.740 1.00 0.62 H new ATOM 0 HG22 ILE B 6 -3.922 5.796 -3.151 1.00 0.62 H new ATOM 0 HG23 ILE B 6 -3.023 5.228 -4.578 1.00 0.62 H new ATOM 0 HD11 ILE B 6 -5.021 3.239 -7.201 1.00 0.53 H new ATOM 0 HD12 ILE B 6 -5.815 4.455 -6.172 1.00 0.53 H new ATOM 0 HD13 ILE B 6 -4.066 4.558 -6.484 1.00 0.53 H new ATOM 2291 N VAL B 7 -3.230 4.515 -0.942 1.00 0.54 N ATOM 2292 CA VAL B 7 -2.550 5.447 -0.055 1.00 0.51 C ATOM 2293 C VAL B 7 -1.377 4.727 0.609 1.00 0.52 C ATOM 2294 O VAL B 7 -0.324 5.320 0.846 1.00 0.57 O ATOM 2295 CB VAL B 7 -3.497 6.080 1.009 1.00 0.48 C ATOM 2296 CG1 VAL B 7 -2.787 7.249 1.688 1.00 0.46 C ATOM 2297 CG2 VAL B 7 -4.799 6.542 0.365 1.00 0.56 C ATOM 0 H VAL B 7 -4.164 4.241 -0.638 1.00 0.54 H new ATOM 0 HA VAL B 7 -2.187 6.281 -0.655 1.00 0.51 H new ATOM 0 HB VAL B 7 -3.745 5.328 1.758 1.00 0.48 H new ATOM 0 HG11 VAL B 7 -3.448 7.693 2.433 1.00 0.46 H new ATOM 0 HG12 VAL B 7 -1.880 6.891 2.175 1.00 0.46 H new ATOM 0 HG13 VAL B 7 -2.526 7.999 0.942 1.00 0.46 H new ATOM 0 HG21 VAL B 7 -5.445 6.981 1.125 1.00 0.56 H new ATOM 0 HG22 VAL B 7 -4.582 7.287 -0.401 1.00 0.56 H new ATOM 0 HG23 VAL B 7 -5.302 5.689 -0.091 1.00 0.56 H new ATOM 2307 N THR B 8 -1.561 3.435 0.883 1.00 0.51 N ATOM 2308 CA THR B 8 -0.506 2.619 1.466 1.00 0.52 C ATOM 2309 C THR B 8 0.588 2.368 0.427 1.00 0.58 C ATOM 2310 O THR B 8 1.777 2.397 0.738 1.00 0.62 O ATOM 2311 CB THR B 8 -1.042 1.261 1.969 1.00 0.53 C ATOM 2312 OG1 THR B 8 -2.317 1.431 2.602 1.00 0.58 O ATOM 2313 CG2 THR B 8 -0.058 0.638 2.951 1.00 0.63 C ATOM 0 H THR B 8 -2.433 2.935 0.709 1.00 0.51 H new ATOM 0 HA THR B 8 -0.103 3.165 2.319 1.00 0.52 H new ATOM 0 HB THR B 8 -1.159 0.597 1.112 1.00 0.53 H new ATOM 0 HG1 THR B 8 -2.818 0.590 2.559 1.00 0.58 H new ATOM 0 HG21 THR B 8 -0.447 -0.319 3.298 1.00 0.63 H new ATOM 0 HG22 THR B 8 0.900 0.482 2.456 1.00 0.63 H new ATOM 0 HG23 THR B 8 0.078 1.305 3.802 1.00 0.63 H new ATOM 2321 N THR B 9 0.169 2.121 -0.811 1.00 0.63 N ATOM 2322 CA THR B 9 1.099 1.892 -1.907 1.00 0.70 C ATOM 2323 C THR B 9 1.909 3.150 -2.155 1.00 0.73 C ATOM 2324 O THR B 9 3.098 3.089 -2.458 1.00 0.78 O ATOM 2325 CB THR B 9 0.362 1.486 -3.204 1.00 0.75 C ATOM 2326 OG1 THR B 9 -0.353 0.267 -2.998 1.00 0.83 O ATOM 2327 CG2 THR B 9 1.331 1.303 -4.363 1.00 0.71 C ATOM 0 H THR B 9 -0.814 2.075 -1.079 1.00 0.63 H new ATOM 0 HA THR B 9 1.758 1.071 -1.624 1.00 0.70 H new ATOM 0 HB THR B 9 -0.330 2.290 -3.454 1.00 0.75 H new ATOM 0 HG1 THR B 9 -1.028 0.398 -2.300 1.00 0.83 H new ATOM 0 HG21 THR B 9 0.778 1.018 -5.258 1.00 0.71 H new ATOM 0 HG22 THR B 9 1.860 2.238 -4.546 1.00 0.71 H new ATOM 0 HG23 THR B 9 2.050 0.522 -4.116 1.00 0.71 H new ATOM 2335 N LYS B 10 1.263 4.297 -2.011 1.00 0.74 N ATOM 2336 CA LYS B 10 1.942 5.555 -2.199 1.00 0.80 C ATOM 2337 C LYS B 10 2.929 5.775 -1.057 1.00 0.81 C ATOM 2338 O LYS B 10 4.022 6.276 -1.279 1.00 0.87 O ATOM 2339 CB LYS B 10 0.943 6.714 -2.303 1.00 0.82 C ATOM 2340 CG LYS B 10 1.151 7.563 -3.549 1.00 1.07 C ATOM 2341 CD LYS B 10 2.489 8.286 -3.507 1.00 1.51 C ATOM 2342 CE LYS B 10 2.868 8.861 -4.860 1.00 1.88 C ATOM 2343 NZ LYS B 10 4.265 9.375 -4.866 1.00 2.03 N ATOM 0 H LYS B 10 0.276 4.376 -1.766 1.00 0.74 H new ATOM 0 HA LYS B 10 2.493 5.523 -3.139 1.00 0.80 H new ATOM 0 HB2 LYS B 10 -0.071 6.314 -2.307 1.00 0.82 H new ATOM 0 HB3 LYS B 10 1.033 7.346 -1.419 1.00 0.82 H new ATOM 0 HG2 LYS B 10 1.105 6.930 -4.435 1.00 1.07 H new ATOM 0 HG3 LYS B 10 0.344 8.291 -3.635 1.00 1.07 H new ATOM 0 HD2 LYS B 10 2.444 9.089 -2.772 1.00 1.51 H new ATOM 0 HD3 LYS B 10 3.264 7.595 -3.177 1.00 1.51 H new ATOM 0 HE2 LYS B 10 2.759 8.093 -5.626 1.00 1.88 H new ATOM 0 HE3 LYS B 10 2.182 9.668 -5.118 1.00 1.88 H new ATOM 0 HZ1 LYS B 10 4.302 10.273 -5.389 1.00 2.03 H new ATOM 0 HZ2 LYS B 10 4.582 9.531 -3.888 1.00 2.03 H new ATOM 0 HZ3 LYS B 10 4.888 8.681 -5.325 1.00 2.03 H new ATOM 2357 N LYS B 11 2.555 5.368 0.157 1.00 0.77 N ATOM 2358 CA LYS B 11 3.438 5.513 1.316 1.00 0.79 C ATOM 2359 C LYS B 11 4.657 4.614 1.138 1.00 0.82 C ATOM 2360 O LYS B 11 5.795 5.039 1.320 1.00 0.89 O ATOM 2361 CB LYS B 11 2.715 5.143 2.622 1.00 0.74 C ATOM 2362 CG LYS B 11 3.104 6.021 3.813 1.00 0.73 C ATOM 2363 CD LYS B 11 3.319 5.201 5.079 1.00 0.86 C ATOM 2364 CE LYS B 11 3.901 6.046 6.202 1.00 1.02 C ATOM 2365 NZ LYS B 11 4.375 5.213 7.343 1.00 1.32 N ATOM 0 H LYS B 11 1.653 4.938 0.363 1.00 0.77 H new ATOM 0 HA LYS B 11 3.746 6.557 1.382 1.00 0.79 H new ATOM 0 HB2 LYS B 11 1.639 5.217 2.464 1.00 0.74 H new ATOM 0 HB3 LYS B 11 2.931 4.102 2.864 1.00 0.74 H new ATOM 0 HG2 LYS B 11 4.016 6.569 3.577 1.00 0.73 H new ATOM 0 HG3 LYS B 11 2.323 6.761 3.988 1.00 0.73 H new ATOM 0 HD2 LYS B 11 2.370 4.772 5.400 1.00 0.86 H new ATOM 0 HD3 LYS B 11 3.989 4.369 4.864 1.00 0.86 H new ATOM 0 HE2 LYS B 11 4.731 6.638 5.817 1.00 1.02 H new ATOM 0 HE3 LYS B 11 3.146 6.748 6.555 1.00 1.02 H new ATOM 0 HZ1 LYS B 11 5.100 5.734 7.876 1.00 1.32 H new ATOM 0 HZ2 LYS B 11 3.574 4.995 7.970 1.00 1.32 H new ATOM 0 HZ3 LYS B 11 4.782 4.327 6.981 1.00 1.32 H new ATOM 2379 N TYR B 12 4.395 3.378 0.735 1.00 0.78 N ATOM 2380 CA TYR B 12 5.444 2.388 0.511 1.00 0.81 C ATOM 2381 C TYR B 12 6.347 2.836 -0.642 1.00 0.95 C ATOM 2382 O TYR B 12 7.563 2.676 -0.591 1.00 1.01 O ATOM 2383 CB TYR B 12 4.790 1.020 0.223 1.00 0.78 C ATOM 2384 CG TYR B 12 5.758 -0.139 0.054 1.00 0.80 C ATOM 2385 CD1 TYR B 12 6.322 -0.776 1.156 1.00 0.64 C ATOM 2386 CD2 TYR B 12 6.095 -0.600 -1.213 1.00 1.14 C ATOM 2387 CE1 TYR B 12 7.197 -1.834 0.998 1.00 0.78 C ATOM 2388 CE2 TYR B 12 6.969 -1.657 -1.381 1.00 1.21 C ATOM 2389 CZ TYR B 12 7.520 -2.270 -0.275 1.00 1.01 C ATOM 2390 OH TYR B 12 8.397 -3.314 -0.440 1.00 1.17 O ATOM 0 H TYR B 12 3.453 3.032 0.554 1.00 0.78 H new ATOM 0 HA TYR B 12 6.069 2.293 1.399 1.00 0.81 H new ATOM 0 HB2 TYR B 12 4.105 0.784 1.038 1.00 0.78 H new ATOM 0 HB3 TYR B 12 4.190 1.106 -0.683 1.00 0.78 H new ATOM 0 HD1 TYR B 12 6.072 -0.438 2.151 1.00 0.64 H new ATOM 0 HD2 TYR B 12 5.666 -0.123 -2.082 1.00 1.14 H new ATOM 0 HE1 TYR B 12 7.626 -2.318 1.863 1.00 0.78 H new ATOM 0 HE2 TYR B 12 7.219 -2.002 -2.373 1.00 1.21 H new ATOM 0 HH TYR B 12 9.153 -3.022 -0.990 1.00 1.17 H new ATOM 2400 N ARG B 13 5.741 3.461 -1.650 1.00 1.05 N ATOM 2401 CA ARG B 13 6.469 3.941 -2.823 1.00 1.20 C ATOM 2402 C ARG B 13 7.108 5.306 -2.556 1.00 1.27 C ATOM 2403 O ARG B 13 7.854 5.829 -3.382 1.00 1.46 O ATOM 2404 CB ARG B 13 5.526 4.010 -4.028 1.00 1.27 C ATOM 2405 CG ARG B 13 6.241 3.813 -5.352 1.00 1.21 C ATOM 2406 CD ARG B 13 5.279 3.769 -6.533 1.00 1.62 C ATOM 2407 NE ARG B 13 4.862 5.100 -7.011 1.00 2.12 N ATOM 2408 CZ ARG B 13 5.685 6.067 -7.453 1.00 2.44 C ATOM 2409 NH1 ARG B 13 7.007 5.929 -7.409 1.00 2.69 N ATOM 2410 NH2 ARG B 13 5.166 7.179 -7.954 1.00 3.10 N ATOM 0 H ARG B 13 4.739 3.648 -1.677 1.00 1.05 H new ATOM 0 HA ARG B 13 7.273 3.238 -3.043 1.00 1.20 H new ATOM 0 HB2 ARG B 13 4.753 3.249 -3.922 1.00 1.27 H new ATOM 0 HB3 ARG B 13 5.022 4.977 -4.034 1.00 1.27 H new ATOM 0 HG2 ARG B 13 6.956 4.623 -5.499 1.00 1.21 H new ATOM 0 HG3 ARG B 13 6.813 2.886 -5.318 1.00 1.21 H new ATOM 0 HD2 ARG B 13 5.751 3.230 -7.354 1.00 1.62 H new ATOM 0 HD3 ARG B 13 4.393 3.202 -6.247 1.00 1.62 H new ATOM 0 HE ARG B 13 3.863 5.305 -7.006 1.00 2.12 H new ATOM 0 HH11 ARG B 13 7.418 5.074 -7.034 1.00 2.69 H new ATOM 0 HH12 ARG B 13 7.610 6.678 -7.751 1.00 2.69 H new ATOM 0 HH21 ARG B 13 4.154 7.293 -8.001 1.00 3.10 H new ATOM 0 HH22 ARG B 13 5.779 7.920 -8.293 1.00 3.10 H new ATOM 2424 N TYR B 14 6.737 5.909 -1.438 1.00 1.21 N ATOM 2425 CA TYR B 14 7.281 7.197 -1.025 1.00 1.29 C ATOM 2426 C TYR B 14 8.424 6.967 -0.044 1.00 1.32 C ATOM 2427 O TYR B 14 9.284 7.821 0.147 1.00 1.47 O ATOM 2428 CB TYR B 14 6.168 8.066 -0.419 1.00 1.24 C ATOM 2429 CG TYR B 14 6.601 9.415 0.125 1.00 1.21 C ATOM 2430 CD1 TYR B 14 6.851 10.494 -0.723 1.00 1.23 C ATOM 2431 CD2 TYR B 14 6.736 9.615 1.492 1.00 1.26 C ATOM 2432 CE1 TYR B 14 7.224 11.728 -0.214 1.00 1.26 C ATOM 2433 CE2 TYR B 14 7.110 10.840 2.004 1.00 1.30 C ATOM 2434 CZ TYR B 14 7.352 11.894 1.151 1.00 1.28 C ATOM 2435 OH TYR B 14 7.725 13.115 1.671 1.00 1.38 O ATOM 0 H TYR B 14 6.051 5.521 -0.790 1.00 1.21 H new ATOM 0 HA TYR B 14 7.678 7.733 -1.887 1.00 1.29 H new ATOM 0 HB2 TYR B 14 5.407 8.231 -1.182 1.00 1.24 H new ATOM 0 HB3 TYR B 14 5.695 7.506 0.388 1.00 1.24 H new ATOM 0 HD1 TYR B 14 6.753 10.366 -1.791 1.00 1.23 H new ATOM 0 HD2 TYR B 14 6.544 8.795 2.168 1.00 1.26 H new ATOM 0 HE1 TYR B 14 7.414 12.556 -0.882 1.00 1.26 H new ATOM 0 HE2 TYR B 14 7.213 10.972 3.071 1.00 1.30 H new ATOM 0 HH TYR B 14 7.766 13.056 2.648 1.00 1.38 H new ATOM 2445 N GLN B 15 8.414 5.793 0.573 1.00 1.21 N ATOM 2446 CA GLN B 15 9.426 5.415 1.547 1.00 1.23 C ATOM 2447 C GLN B 15 10.744 5.097 0.849 1.00 1.37 C ATOM 2448 O GLN B 15 11.818 5.244 1.434 1.00 1.37 O ATOM 2449 CB GLN B 15 8.951 4.210 2.358 1.00 1.12 C ATOM 2450 CG GLN B 15 8.897 4.459 3.860 1.00 1.04 C ATOM 2451 CD GLN B 15 7.738 5.349 4.271 1.00 1.16 C ATOM 2452 OE1 GLN B 15 6.636 4.873 4.530 1.00 1.25 O ATOM 2453 NE2 GLN B 15 7.985 6.647 4.349 1.00 1.41 N ATOM 0 H GLN B 15 7.705 5.078 0.412 1.00 1.21 H new ATOM 0 HA GLN B 15 9.588 6.253 2.225 1.00 1.23 H new ATOM 0 HB2 GLN B 15 7.959 3.920 2.012 1.00 1.12 H new ATOM 0 HB3 GLN B 15 9.616 3.368 2.163 1.00 1.12 H new ATOM 0 HG2 GLN B 15 8.816 3.504 4.379 1.00 1.04 H new ATOM 0 HG3 GLN B 15 9.832 4.918 4.181 1.00 1.04 H new ATOM 0 HE21 GLN B 15 8.914 7.004 4.126 1.00 1.41 H new ATOM 0 HE22 GLN B 15 7.246 7.291 4.633 1.00 1.41 H new ATOM 2462 N ASP B 16 10.653 4.671 -0.411 1.00 1.59 N ATOM 2463 CA ASP B 16 11.836 4.360 -1.214 1.00 1.76 C ATOM 2464 C ASP B 16 12.637 5.643 -1.447 1.00 1.96 C ATOM 2465 O ASP B 16 13.873 5.628 -1.515 1.00 2.05 O ATOM 2466 CB ASP B 16 11.420 3.708 -2.551 1.00 2.09 C ATOM 2467 CG ASP B 16 11.707 4.572 -3.771 1.00 2.24 C ATOM 2468 OD1 ASP B 16 12.815 4.461 -4.342 1.00 2.65 O ATOM 2469 OD2 ASP B 16 10.821 5.358 -4.166 1.00 2.32 O ATOM 0 H ASP B 16 9.768 4.533 -0.899 1.00 1.59 H new ATOM 0 HA ASP B 16 12.465 3.647 -0.682 1.00 1.76 H new ATOM 0 HB2 ASP B 16 11.943 2.758 -2.659 1.00 2.09 H new ATOM 0 HB3 ASP B 16 10.354 3.484 -2.519 1.00 2.09 H new ATOM 2474 N GLU B 17 11.906 6.750 -1.552 1.00 2.16 N ATOM 2475 CA GLU B 17 12.487 8.070 -1.754 1.00 2.48 C ATOM 2476 C GLU B 17 13.086 8.580 -0.444 1.00 2.44 C ATOM 2477 O GLU B 17 12.501 9.416 0.241 1.00 2.36 O ATOM 2478 CB GLU B 17 11.408 9.044 -2.258 1.00 2.75 C ATOM 2479 CG GLU B 17 11.888 10.474 -2.460 1.00 3.19 C ATOM 2480 CD GLU B 17 12.955 10.592 -3.520 1.00 3.49 C ATOM 2481 OE1 GLU B 17 12.662 10.281 -4.694 1.00 4.01 O ATOM 2482 OE2 GLU B 17 14.080 11.017 -3.187 1.00 3.62 O ATOM 0 H GLU B 17 10.887 6.754 -1.499 1.00 2.16 H new ATOM 0 HA GLU B 17 13.278 8.002 -2.501 1.00 2.48 H new ATOM 0 HB2 GLU B 17 11.013 8.671 -3.203 1.00 2.75 H new ATOM 0 HB3 GLU B 17 10.582 9.049 -1.547 1.00 2.75 H new ATOM 0 HG2 GLU B 17 11.040 11.101 -2.734 1.00 3.19 H new ATOM 0 HG3 GLU B 17 12.276 10.858 -1.517 1.00 3.19 H new ATOM 2489 N ASP B 18 14.239 8.059 -0.088 1.00 2.66 N ATOM 2490 CA ASP B 18 14.901 8.453 1.144 1.00 2.76 C ATOM 2491 C ASP B 18 16.410 8.382 0.973 1.00 3.15 C ATOM 2492 O ASP B 18 17.102 9.396 1.039 1.00 3.44 O ATOM 2493 CB ASP B 18 14.434 7.556 2.300 1.00 2.70 C ATOM 2494 CG ASP B 18 15.305 7.667 3.540 1.00 2.54 C ATOM 2495 OD1 ASP B 18 15.070 8.583 4.359 1.00 2.74 O ATOM 2496 OD2 ASP B 18 16.213 6.826 3.709 1.00 2.45 O ATOM 0 H ASP B 18 14.742 7.359 -0.633 1.00 2.66 H new ATOM 0 HA ASP B 18 14.635 9.483 1.381 1.00 2.76 H new ATOM 0 HB2 ASP B 18 13.408 7.817 2.561 1.00 2.70 H new ATOM 0 HB3 ASP B 18 14.424 6.519 1.964 1.00 2.70 H new ATOM 2501 N THR B 19 16.909 7.184 0.723 1.00 3.25 N ATOM 2502 CA THR B 19 18.330 6.976 0.530 1.00 3.64 C ATOM 2503 C THR B 19 18.602 6.542 -0.909 1.00 4.26 C ATOM 2504 O THR B 19 18.658 5.324 -1.171 1.00 4.48 O ATOM 2505 CB THR B 19 18.865 5.918 1.520 1.00 3.58 C ATOM 2506 OG1 THR B 19 17.765 5.271 2.182 1.00 3.24 O ATOM 2507 CG2 THR B 19 19.779 6.546 2.563 1.00 3.63 C ATOM 0 H THR B 19 16.346 6.337 0.649 1.00 3.25 H new ATOM 0 HA THR B 19 18.849 7.915 0.721 1.00 3.64 H new ATOM 0 HB THR B 19 19.441 5.188 0.951 1.00 3.58 H new ATOM 0 HG1 THR B 19 17.396 5.870 2.865 1.00 3.24 H new ATOM 0 HG21 THR B 19 20.138 5.774 3.244 1.00 3.63 H new ATOM 0 HG22 THR B 19 20.628 7.016 2.067 1.00 3.63 H new ATOM 0 HG23 THR B 19 19.226 7.298 3.126 1.00 3.63 H new TER 2515 THR B 19 HETATM 2516 CA CA A 201 -16.976 8.315 -9.970 1.00 0.41 CA HETATM 2517 CA CA A 202 -19.643 6.637 2.959 1.00 0.48 CA HETATM 2518 CA CA A 203 3.610 -13.387 -3.303 1.00 0.50 CA HETATM 2519 CA CA A 204 13.551 -9.956 1.478 1.00 0.73 CA