USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 773 hydrogens (7 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 85 SER OG : rot 180:sc= 0.533 USER MOD Set 1.2: A 87 ASN : amide:sc= 0.641 K(o=1.2,f=2.2) USER MOD Single : A 32 GLN : amide:sc= -1.19 K(o=-1.2,f=-3.8!) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -1.39 K(o=-1.4,f=-6.5!) USER MOD Single : A 42 TYR OH : rot -20:sc= 0.667 USER MOD Single : A 43 ASN : amide:sc= -0.0911 X(o=-0.091,f=-0.16) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0665 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.167 K(o=-0.17,f=-0.94) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -2.36! K(o=-2.4!,f=-0.066) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc=-0.000493 USER MOD Single : A 72 SER OG : rot -9:sc= -0.0954 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -169:sc=-0.00908 (180deg=-0.132) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.556 X(o=-0.56,f=-0.42) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.374 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.681 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.246 X(o=-0.25,f=-0.47) USER MOD Single : A 100 MET CE :methyl -161:sc= -0.132 (180deg=-0.597) USER MOD Single : A 101 THR OG1 : rot 80:sc= -0.451 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0.0532 USER MOD Single : A 104 LYS NZ :NH3+ 178:sc= 0.761 (180deg=0.758) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.399 X(o=-0.4,f=-0.074) USER MOD Single : A 109 MET CE :methyl -128:sc= -0.472 (180deg=-1.01) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -150:sc= 0.166 (180deg=0.00653) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= -0.604 USER MOD Single : A 118 TYR OH : rot 180:sc= -1.93! USER MOD Single : A 123 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0154) USER MOD Single : A 169 HC4 O4' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 26 5.981 -0.242 -13.529 1.00 8.65 N ATOM 2 CA LEU A 26 6.376 -1.092 -12.388 1.00 7.71 C ATOM 3 C LEU A 26 5.781 -2.486 -12.516 1.00 6.76 C ATOM 4 O LEU A 26 4.567 -2.664 -12.414 1.00 6.84 O ATOM 5 CB LEU A 26 5.914 -0.471 -11.063 1.00 7.84 C ATOM 6 CG LEU A 26 6.640 0.807 -10.635 1.00 8.33 C ATOM 7 CD1 LEU A 26 6.030 1.360 -9.356 1.00 8.50 C ATOM 8 CD2 LEU A 26 8.125 0.541 -10.435 1.00 8.72 C ATOM 0 HA LEU A 26 7.464 -1.164 -12.395 1.00 7.71 H new ATOM 0 HB2 LEU A 26 4.849 -0.253 -11.138 1.00 7.84 H new ATOM 0 HB3 LEU A 26 6.032 -1.214 -10.275 1.00 7.84 H new ATOM 0 HG LEU A 26 6.525 1.546 -11.428 1.00 8.33 H new ATOM 0 HD11 LEU A 26 6.557 2.269 -9.065 1.00 8.50 H new ATOM 0 HD12 LEU A 26 4.978 1.589 -9.524 1.00 8.50 H new ATOM 0 HD13 LEU A 26 6.117 0.619 -8.561 1.00 8.50 H new ATOM 0 HD21 LEU A 26 8.622 1.462 -10.131 1.00 8.72 H new ATOM 0 HD22 LEU A 26 8.258 -0.215 -9.661 1.00 8.72 H new ATOM 0 HD23 LEU A 26 8.560 0.185 -11.369 1.00 8.72 H new ATOM 20 N ALA A 27 6.642 -3.470 -12.734 1.00 6.18 N ATOM 21 CA ALA A 27 6.228 -4.865 -12.729 1.00 5.48 C ATOM 22 C ALA A 27 6.362 -5.418 -11.316 1.00 4.38 C ATOM 23 O ALA A 27 6.153 -6.605 -11.065 1.00 4.57 O ATOM 24 CB ALA A 27 7.063 -5.677 -13.707 1.00 6.04 C ATOM 0 H ALA A 27 7.635 -3.327 -12.917 1.00 6.18 H new ATOM 0 HA ALA A 27 5.188 -4.935 -13.046 1.00 5.48 H new ATOM 0 HB1 ALA A 27 6.737 -6.717 -13.688 1.00 6.04 H new ATOM 0 HB2 ALA A 27 6.937 -5.276 -14.713 1.00 6.04 H new ATOM 0 HB3 ALA A 27 8.114 -5.621 -13.423 1.00 6.04 H new ATOM 30 N PHE A 28 6.743 -4.528 -10.409 1.00 3.64 N ATOM 31 CA PHE A 28 6.871 -4.833 -8.997 1.00 2.91 C ATOM 32 C PHE A 28 6.711 -3.539 -8.207 1.00 1.94 C ATOM 33 O PHE A 28 7.199 -2.491 -8.632 1.00 2.30 O ATOM 34 CB PHE A 28 8.238 -5.472 -8.712 1.00 3.48 C ATOM 35 CG PHE A 28 8.498 -5.744 -7.257 1.00 4.19 C ATOM 36 CD1 PHE A 28 9.345 -4.923 -6.526 1.00 4.76 C ATOM 37 CD2 PHE A 28 7.897 -6.816 -6.619 1.00 4.70 C ATOM 38 CE1 PHE A 28 9.584 -5.168 -5.188 1.00 5.72 C ATOM 39 CE2 PHE A 28 8.134 -7.067 -5.281 1.00 5.68 C ATOM 40 CZ PHE A 28 8.979 -6.240 -4.564 1.00 6.15 C ATOM 0 H PHE A 28 6.974 -3.562 -10.640 1.00 3.64 H new ATOM 0 HA PHE A 28 6.100 -5.544 -8.699 1.00 2.91 H new ATOM 0 HB2 PHE A 28 8.311 -6.409 -9.264 1.00 3.48 H new ATOM 0 HB3 PHE A 28 9.020 -4.816 -9.093 1.00 3.48 H new ATOM 0 HD1 PHE A 28 9.823 -4.083 -7.009 1.00 4.76 H new ATOM 0 HD2 PHE A 28 7.235 -7.464 -7.174 1.00 4.70 H new ATOM 0 HE1 PHE A 28 10.244 -4.521 -4.630 1.00 5.72 H new ATOM 0 HE2 PHE A 28 7.660 -7.908 -4.796 1.00 5.68 H new ATOM 0 HZ PHE A 28 9.165 -6.433 -3.518 1.00 6.15 H new ATOM 50 N GLY A 29 6.010 -3.602 -7.086 1.00 1.43 N ATOM 51 CA GLY A 29 5.816 -2.418 -6.271 1.00 0.99 C ATOM 52 C GLY A 29 4.421 -1.850 -6.382 1.00 0.78 C ATOM 53 O GLY A 29 4.007 -1.044 -5.553 1.00 1.00 O ATOM 0 H GLY A 29 5.572 -4.449 -6.725 1.00 1.43 H new ATOM 0 HA2 GLY A 29 6.021 -2.663 -5.229 1.00 0.99 H new ATOM 0 HA3 GLY A 29 6.537 -1.657 -6.568 1.00 0.99 H new ATOM 57 N ALA A 30 3.687 -2.270 -7.399 1.00 0.70 N ATOM 58 CA ALA A 30 2.362 -1.728 -7.649 1.00 0.54 C ATOM 59 C ALA A 30 1.273 -2.592 -7.025 1.00 0.49 C ATOM 60 O ALA A 30 0.923 -3.644 -7.554 1.00 0.60 O ATOM 61 CB ALA A 30 2.130 -1.591 -9.143 1.00 0.68 C ATOM 0 H ALA A 30 3.986 -2.984 -8.064 1.00 0.70 H new ATOM 0 HA ALA A 30 2.311 -0.744 -7.183 1.00 0.54 H new ATOM 0 HB1 ALA A 30 1.135 -1.184 -9.321 1.00 0.68 H new ATOM 0 HB2 ALA A 30 2.877 -0.920 -9.567 1.00 0.68 H new ATOM 0 HB3 ALA A 30 2.211 -2.570 -9.615 1.00 0.68 H new ATOM 67 N ILE A 31 0.735 -2.148 -5.905 1.00 0.40 N ATOM 68 CA ILE A 31 -0.350 -2.857 -5.250 1.00 0.39 C ATOM 69 C ILE A 31 -1.580 -1.968 -5.160 1.00 0.35 C ATOM 70 O ILE A 31 -1.471 -0.756 -5.008 1.00 0.36 O ATOM 71 CB ILE A 31 0.026 -3.346 -4.061 1.00 0.46 C ATOM 72 CG1 ILE A 31 -1.097 -4.052 -3.299 1.00 0.48 C ATOM 73 CG2 ILE A 31 0.697 -2.285 -3.194 1.00 0.52 C ATOM 74 CD1 ILE A 31 -1.896 -3.175 -2.343 1.00 0.90 C ATOM 0 H ILE A 31 1.032 -1.297 -5.428 1.00 0.40 H new ATOM 0 HA ILE A 31 -0.617 -3.722 -5.856 1.00 0.39 H new ATOM 0 HB ILE A 31 0.764 -4.115 -4.290 1.00 0.46 H new ATOM 0 HG12 ILE A 31 -1.784 -4.489 -4.023 1.00 0.48 H new ATOM 0 HG13 ILE A 31 -0.665 -4.876 -2.732 1.00 0.48 H new ATOM 0 HG21 ILE A 31 0.986 -2.725 -2.239 1.00 0.52 H new ATOM 0 HG22 ILE A 31 1.584 -1.907 -3.703 1.00 0.52 H new ATOM 0 HG23 ILE A 31 0.001 -1.464 -3.020 1.00 0.52 H new ATOM 0 HD11 ILE A 31 -2.665 -3.774 -1.856 1.00 0.90 H new ATOM 0 HD12 ILE A 31 -1.229 -2.758 -1.588 1.00 0.90 H new ATOM 0 HD13 ILE A 31 -2.366 -2.364 -2.900 1.00 0.90 H new ATOM 86 N GLN A 32 -2.736 -2.564 -5.377 1.00 0.38 N ATOM 87 CA GLN A 32 -3.989 -1.838 -5.297 1.00 0.40 C ATOM 88 C GLN A 32 -4.794 -2.360 -4.118 1.00 0.37 C ATOM 89 O GLN A 32 -4.966 -3.576 -3.948 1.00 0.44 O ATOM 90 CB GLN A 32 -4.767 -1.937 -6.628 1.00 0.50 C ATOM 91 CG GLN A 32 -5.949 -2.902 -6.659 1.00 0.55 C ATOM 92 CD GLN A 32 -7.253 -2.258 -6.209 1.00 1.11 C ATOM 93 OE1 GLN A 32 -7.596 -2.266 -5.029 1.00 2.22 O ATOM 94 NE2 GLN A 32 -8.001 -1.708 -7.153 1.00 0.93 N ATOM 0 H GLN A 32 -2.834 -3.552 -5.611 1.00 0.38 H new ATOM 0 HA GLN A 32 -3.792 -0.779 -5.132 1.00 0.40 H new ATOM 0 HB2 GLN A 32 -5.133 -0.942 -6.884 1.00 0.50 H new ATOM 0 HB3 GLN A 32 -4.067 -2.230 -7.411 1.00 0.50 H new ATOM 0 HG2 GLN A 32 -6.070 -3.287 -7.671 1.00 0.55 H new ATOM 0 HG3 GLN A 32 -5.731 -3.756 -6.017 1.00 0.55 H new ATOM 0 HE21 GLN A 32 -7.687 -1.718 -8.123 1.00 0.93 H new ATOM 0 HE22 GLN A 32 -8.891 -1.274 -6.910 1.00 0.93 H new ATOM 103 N LEU A 33 -5.241 -1.448 -3.279 1.00 0.34 N ATOM 104 CA LEU A 33 -6.034 -1.822 -2.123 1.00 0.36 C ATOM 105 C LEU A 33 -7.297 -0.987 -2.043 1.00 0.35 C ATOM 106 O LEU A 33 -7.385 0.098 -2.614 1.00 0.43 O ATOM 107 CB LEU A 33 -5.200 -1.715 -0.835 1.00 0.45 C ATOM 108 CG LEU A 33 -4.580 -0.341 -0.527 1.00 0.46 C ATOM 109 CD1 LEU A 33 -5.595 0.596 0.114 1.00 0.72 C ATOM 110 CD2 LEU A 33 -3.365 -0.497 0.373 1.00 0.71 C ATOM 0 H LEU A 33 -5.071 -0.447 -3.374 1.00 0.34 H new ATOM 0 HA LEU A 33 -6.337 -2.863 -2.234 1.00 0.36 H new ATOM 0 HB2 LEU A 33 -5.833 -1.999 0.005 1.00 0.45 H new ATOM 0 HB3 LEU A 33 -4.395 -2.448 -0.889 1.00 0.45 H new ATOM 0 HG LEU A 33 -4.266 0.101 -1.472 1.00 0.46 H new ATOM 0 HD11 LEU A 33 -5.124 1.558 0.318 1.00 0.72 H new ATOM 0 HD12 LEU A 33 -6.436 0.741 -0.564 1.00 0.72 H new ATOM 0 HD13 LEU A 33 -5.953 0.161 1.047 1.00 0.72 H new ATOM 0 HD21 LEU A 33 -2.938 0.484 0.581 1.00 0.71 H new ATOM 0 HD22 LEU A 33 -3.664 -0.969 1.309 1.00 0.71 H new ATOM 0 HD23 LEU A 33 -2.621 -1.118 -0.125 1.00 0.71 H new ATOM 122 N ASP A 34 -8.276 -1.510 -1.343 1.00 0.35 N ATOM 123 CA ASP A 34 -9.554 -0.838 -1.198 1.00 0.45 C ATOM 124 C ASP A 34 -9.502 0.161 -0.049 1.00 0.53 C ATOM 125 O ASP A 34 -8.757 -0.020 0.918 1.00 0.58 O ATOM 126 CB ASP A 34 -10.660 -1.883 -1.001 1.00 0.55 C ATOM 127 CG ASP A 34 -11.363 -1.790 0.336 1.00 0.65 C ATOM 128 OD1 ASP A 34 -10.713 -2.012 1.380 1.00 0.88 O ATOM 129 OD2 ASP A 34 -12.584 -1.520 0.338 1.00 1.15 O ATOM 0 H ASP A 34 -8.214 -2.406 -0.860 1.00 0.35 H new ATOM 0 HA ASP A 34 -9.778 -0.273 -2.103 1.00 0.45 H new ATOM 0 HB2 ASP A 34 -11.397 -1.771 -1.796 1.00 0.55 H new ATOM 0 HB3 ASP A 34 -10.228 -2.878 -1.104 1.00 0.55 H new ATOM 134 N GLY A 35 -10.299 1.212 -0.163 1.00 0.67 N ATOM 135 CA GLY A 35 -10.270 2.291 0.807 1.00 0.84 C ATOM 136 C GLY A 35 -11.050 1.969 2.061 1.00 0.85 C ATOM 137 O GLY A 35 -11.634 2.853 2.687 1.00 1.20 O ATOM 0 H GLY A 35 -10.973 1.339 -0.918 1.00 0.67 H new ATOM 0 HA2 GLY A 35 -9.235 2.507 1.073 1.00 0.84 H new ATOM 0 HA3 GLY A 35 -10.678 3.194 0.352 1.00 0.84 H new ATOM 141 N ASP A 36 -11.062 0.702 2.417 1.00 0.69 N ATOM 142 CA ASP A 36 -11.751 0.244 3.606 1.00 0.83 C ATOM 143 C ASP A 36 -10.791 -0.550 4.487 1.00 0.83 C ATOM 144 O ASP A 36 -10.914 -0.556 5.714 1.00 1.10 O ATOM 145 CB ASP A 36 -12.956 -0.597 3.202 1.00 0.89 C ATOM 146 CG ASP A 36 -13.866 -0.942 4.364 1.00 1.24 C ATOM 147 OD1 ASP A 36 -14.455 -2.046 4.350 1.00 1.81 O ATOM 148 OD2 ASP A 36 -13.999 -0.120 5.294 1.00 1.77 O ATOM 0 H ASP A 36 -10.596 -0.038 1.892 1.00 0.69 H new ATOM 0 HA ASP A 36 -12.106 1.099 4.181 1.00 0.83 H new ATOM 0 HB2 ASP A 36 -13.530 -0.058 2.448 1.00 0.89 H new ATOM 0 HB3 ASP A 36 -12.607 -1.519 2.737 1.00 0.89 H new ATOM 153 N GLY A 37 -9.820 -1.211 3.861 1.00 0.67 N ATOM 154 CA GLY A 37 -8.762 -1.840 4.626 1.00 0.81 C ATOM 155 C GLY A 37 -8.349 -3.211 4.117 1.00 0.78 C ATOM 156 O GLY A 37 -7.598 -3.919 4.792 1.00 1.05 O ATOM 0 H GLY A 37 -9.749 -1.320 2.849 1.00 0.67 H new ATOM 0 HA2 GLY A 37 -7.890 -1.187 4.622 1.00 0.81 H new ATOM 0 HA3 GLY A 37 -9.086 -1.933 5.663 1.00 0.81 H new ATOM 160 N ASN A 38 -8.816 -3.605 2.940 1.00 0.61 N ATOM 161 CA ASN A 38 -8.453 -4.913 2.406 1.00 0.73 C ATOM 162 C ASN A 38 -7.706 -4.802 1.085 1.00 0.57 C ATOM 163 O ASN A 38 -8.029 -3.969 0.238 1.00 0.49 O ATOM 164 CB ASN A 38 -9.681 -5.832 2.267 1.00 0.95 C ATOM 165 CG ASN A 38 -10.860 -5.189 1.562 1.00 1.13 C ATOM 166 OD1 ASN A 38 -10.988 -5.254 0.339 1.00 1.57 O ATOM 167 ND2 ASN A 38 -11.751 -4.594 2.338 1.00 1.38 N ATOM 0 H ASN A 38 -9.434 -3.052 2.346 1.00 0.61 H new ATOM 0 HA ASN A 38 -7.776 -5.368 3.129 1.00 0.73 H new ATOM 0 HB2 ASN A 38 -9.390 -6.729 1.720 1.00 0.95 H new ATOM 0 HB3 ASN A 38 -9.996 -6.152 3.260 1.00 0.95 H new ATOM 0 HD21 ASN A 38 -12.581 -4.167 1.927 1.00 1.38 H new ATOM 0 HD22 ASN A 38 -11.608 -4.562 3.347 1.00 1.38 H new ATOM 174 N ILE A 39 -6.678 -5.639 0.929 1.00 0.65 N ATOM 175 CA ILE A 39 -5.895 -5.675 -0.291 1.00 0.57 C ATOM 176 C ILE A 39 -6.685 -6.386 -1.381 1.00 0.59 C ATOM 177 O ILE A 39 -7.368 -7.374 -1.104 1.00 0.77 O ATOM 178 CB ILE A 39 -4.749 -6.317 -0.096 1.00 0.62 C ATOM 179 CG1 ILE A 39 -3.966 -5.737 1.085 1.00 0.72 C ATOM 180 CG2 ILE A 39 -3.882 -6.310 -1.356 1.00 0.61 C ATOM 181 CD1 ILE A 39 -3.595 -4.278 0.930 1.00 1.18 C ATOM 0 H ILE A 39 -6.373 -6.302 1.642 1.00 0.65 H new ATOM 0 HA ILE A 39 -5.678 -4.650 -0.592 1.00 0.57 H new ATOM 0 HB ILE A 39 -5.005 -7.349 0.141 1.00 0.62 H new ATOM 0 HG12 ILE A 39 -4.559 -5.855 1.992 1.00 0.72 H new ATOM 0 HG13 ILE A 39 -3.055 -6.319 1.222 1.00 0.72 H new ATOM 0 HG21 ILE A 39 -2.952 -6.844 -1.161 1.00 0.61 H new ATOM 0 HG22 ILE A 39 -4.418 -6.800 -2.169 1.00 0.61 H new ATOM 0 HG23 ILE A 39 -3.657 -5.281 -1.637 1.00 0.61 H new ATOM 0 HD11 ILE A 39 -3.043 -3.947 1.810 1.00 1.18 H new ATOM 0 HD12 ILE A 39 -2.973 -4.153 0.043 1.00 1.18 H new ATOM 0 HD13 ILE A 39 -4.501 -3.681 0.825 1.00 1.18 H new ATOM 193 N LEU A 40 -6.629 -5.870 -2.602 1.00 0.51 N ATOM 194 CA LEU A 40 -7.370 -6.468 -3.698 1.00 0.61 C ATOM 195 C LEU A 40 -6.436 -7.198 -4.655 1.00 0.60 C ATOM 196 O LEU A 40 -6.638 -8.376 -4.946 1.00 0.72 O ATOM 197 CB LEU A 40 -8.176 -5.406 -4.450 1.00 0.66 C ATOM 198 CG LEU A 40 -9.078 -5.943 -5.563 1.00 1.07 C ATOM 199 CD1 LEU A 40 -10.116 -6.900 -4.996 1.00 1.56 C ATOM 200 CD2 LEU A 40 -9.762 -4.801 -6.293 1.00 1.54 C ATOM 0 H LEU A 40 -6.083 -5.046 -2.854 1.00 0.51 H new ATOM 0 HA LEU A 40 -8.063 -7.195 -3.275 1.00 0.61 H new ATOM 0 HB2 LEU A 40 -8.793 -4.865 -3.733 1.00 0.66 H new ATOM 0 HB3 LEU A 40 -7.483 -4.684 -4.882 1.00 0.66 H new ATOM 0 HG LEU A 40 -8.455 -6.487 -6.273 1.00 1.07 H new ATOM 0 HD11 LEU A 40 -10.748 -7.271 -5.803 1.00 1.56 H new ATOM 0 HD12 LEU A 40 -9.613 -7.738 -4.514 1.00 1.56 H new ATOM 0 HD13 LEU A 40 -10.732 -6.377 -4.264 1.00 1.56 H new ATOM 0 HD21 LEU A 40 -10.399 -5.203 -7.081 1.00 1.54 H new ATOM 0 HD22 LEU A 40 -10.370 -4.232 -5.590 1.00 1.54 H new ATOM 0 HD23 LEU A 40 -9.009 -4.148 -6.733 1.00 1.54 H new ATOM 212 N GLN A 41 -5.406 -6.511 -5.137 1.00 0.50 N ATOM 213 CA GLN A 41 -4.519 -7.109 -6.133 1.00 0.55 C ATOM 214 C GLN A 41 -3.119 -6.496 -6.090 1.00 0.46 C ATOM 215 O GLN A 41 -2.955 -5.306 -5.824 1.00 0.46 O ATOM 216 CB GLN A 41 -5.127 -6.950 -7.534 1.00 0.67 C ATOM 217 CG GLN A 41 -4.302 -7.578 -8.655 1.00 1.08 C ATOM 218 CD GLN A 41 -4.182 -9.091 -8.548 1.00 1.73 C ATOM 219 OE1 GLN A 41 -4.203 -9.664 -7.457 1.00 2.41 O ATOM 220 NE2 GLN A 41 -4.041 -9.749 -9.687 1.00 2.37 N ATOM 0 H GLN A 41 -5.166 -5.558 -4.862 1.00 0.50 H new ATOM 0 HA GLN A 41 -4.418 -8.169 -5.898 1.00 0.55 H new ATOM 0 HB2 GLN A 41 -6.122 -7.396 -7.538 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.253 -5.888 -7.744 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -4.755 -7.325 -9.614 1.00 1.08 H new ATOM 0 HG3 GLN A 41 -3.303 -7.141 -8.648 1.00 1.08 H new ATOM 0 HE21 GLN A 41 -4.028 -9.241 -10.571 1.00 2.37 H new ATOM 0 HE22 GLN A 41 -3.945 -10.764 -9.681 1.00 2.37 H new ATOM 229 N TYR A 42 -2.117 -7.329 -6.349 1.00 0.57 N ATOM 230 CA TYR A 42 -0.731 -6.883 -6.416 1.00 0.58 C ATOM 231 C TYR A 42 -0.181 -7.126 -7.820 1.00 0.65 C ATOM 232 O TYR A 42 -0.217 -8.249 -8.326 1.00 0.79 O ATOM 233 CB TYR A 42 0.122 -7.619 -5.375 1.00 0.71 C ATOM 234 CG TYR A 42 1.510 -7.041 -5.200 1.00 0.82 C ATOM 235 CD1 TYR A 42 2.573 -7.503 -5.965 1.00 1.09 C ATOM 236 CD2 TYR A 42 1.759 -6.040 -4.273 1.00 0.82 C ATOM 237 CE1 TYR A 42 3.845 -6.990 -5.806 1.00 1.26 C ATOM 238 CE2 TYR A 42 3.030 -5.520 -4.111 1.00 1.02 C ATOM 239 CZ TYR A 42 4.051 -5.959 -4.879 1.00 1.21 C ATOM 240 OH TYR A 42 5.333 -5.486 -4.715 1.00 1.42 O ATOM 0 H TYR A 42 -2.242 -8.327 -6.518 1.00 0.57 H new ATOM 0 HA TYR A 42 -0.692 -5.816 -6.196 1.00 0.58 H new ATOM 0 HB2 TYR A 42 -0.394 -7.596 -4.415 1.00 0.71 H new ATOM 0 HB3 TYR A 42 0.209 -8.666 -5.665 1.00 0.71 H new ATOM 0 HD1 TYR A 42 2.402 -8.278 -6.698 1.00 1.09 H new ATOM 0 HD2 TYR A 42 0.948 -5.661 -3.669 1.00 0.82 H new ATOM 0 HE1 TYR A 42 4.669 -7.377 -6.387 1.00 1.26 H new ATOM 0 HE2 TYR A 42 3.207 -4.758 -3.366 1.00 1.02 H new ATOM 0 HH TYR A 42 5.972 -6.155 -5.038 1.00 1.42 H new ATOM 250 N ASN A 43 0.319 -6.074 -8.445 1.00 0.63 N ATOM 251 CA ASN A 43 0.818 -6.158 -9.811 1.00 0.75 C ATOM 252 C ASN A 43 2.265 -6.619 -9.820 1.00 0.92 C ATOM 253 O ASN A 43 3.185 -5.819 -9.630 1.00 1.02 O ATOM 254 CB ASN A 43 0.693 -4.808 -10.520 1.00 0.78 C ATOM 255 CG ASN A 43 -0.743 -4.341 -10.648 1.00 0.73 C ATOM 256 OD1 ASN A 43 -1.417 -4.620 -11.637 1.00 1.21 O ATOM 257 ND2 ASN A 43 -1.223 -3.623 -9.643 1.00 0.88 N ATOM 0 H ASN A 43 0.391 -5.146 -8.028 1.00 0.63 H new ATOM 0 HA ASN A 43 0.212 -6.888 -10.348 1.00 0.75 H new ATOM 0 HB2 ASN A 43 1.266 -4.060 -9.971 1.00 0.78 H new ATOM 0 HB3 ASN A 43 1.136 -4.882 -11.513 1.00 0.78 H new ATOM 0 HD21 ASN A 43 -2.184 -3.281 -9.674 1.00 0.88 H new ATOM 0 HD22 ASN A 43 -0.632 -3.412 -8.839 1.00 0.88 H new ATOM 264 N ALA A 44 2.439 -7.919 -10.025 1.00 1.13 N ATOM 265 CA ALA A 44 3.751 -8.562 -10.057 1.00 1.36 C ATOM 266 C ALA A 44 3.578 -10.062 -10.218 1.00 1.78 C ATOM 267 O ALA A 44 4.403 -10.735 -10.835 1.00 2.50 O ATOM 268 CB ALA A 44 4.554 -8.277 -8.795 1.00 2.05 C ATOM 0 H ALA A 44 1.665 -8.566 -10.176 1.00 1.13 H new ATOM 0 HA ALA A 44 4.302 -8.152 -10.904 1.00 1.36 H new ATOM 0 HB1 ALA A 44 5.522 -8.773 -8.860 1.00 2.05 H new ATOM 0 HB2 ALA A 44 4.703 -7.202 -8.694 1.00 2.05 H new ATOM 0 HB3 ALA A 44 4.012 -8.651 -7.927 1.00 2.05 H new ATOM 274 N ALA A 45 2.494 -10.579 -9.654 1.00 2.22 N ATOM 275 CA ALA A 45 2.203 -12.000 -9.732 1.00 3.09 C ATOM 276 C ALA A 45 1.608 -12.356 -11.088 1.00 3.52 C ATOM 277 O ALA A 45 0.398 -12.297 -11.290 1.00 3.90 O ATOM 278 CB ALA A 45 1.265 -12.411 -8.607 1.00 4.00 C ATOM 0 H ALA A 45 1.803 -10.034 -9.138 1.00 2.22 H new ATOM 0 HA ALA A 45 3.138 -12.549 -9.619 1.00 3.09 H new ATOM 0 HB1 ALA A 45 1.056 -13.478 -8.679 1.00 4.00 H new ATOM 0 HB2 ALA A 45 1.733 -12.197 -7.646 1.00 4.00 H new ATOM 0 HB3 ALA A 45 0.332 -11.853 -8.689 1.00 4.00 H new ATOM 284 N GLU A 46 2.483 -12.695 -12.017 1.00 4.02 N ATOM 285 CA GLU A 46 2.087 -13.137 -13.346 1.00 4.87 C ATOM 286 C GLU A 46 3.101 -14.151 -13.846 1.00 5.45 C ATOM 287 O GLU A 46 3.481 -14.172 -15.019 1.00 5.90 O ATOM 288 CB GLU A 46 1.969 -11.941 -14.300 1.00 5.61 C ATOM 289 CG GLU A 46 3.093 -10.924 -14.173 1.00 5.96 C ATOM 290 CD GLU A 46 2.885 -9.718 -15.067 1.00 6.73 C ATOM 291 OE1 GLU A 46 1.842 -9.040 -14.930 1.00 7.09 O ATOM 292 OE2 GLU A 46 3.762 -9.439 -15.909 1.00 7.21 O ATOM 0 H GLU A 46 3.492 -12.672 -11.873 1.00 4.02 H new ATOM 0 HA GLU A 46 1.106 -13.609 -13.303 1.00 4.87 H new ATOM 0 HB2 GLU A 46 1.944 -12.310 -15.325 1.00 5.61 H new ATOM 0 HB3 GLU A 46 1.019 -11.439 -14.118 1.00 5.61 H new ATOM 0 HG2 GLU A 46 3.167 -10.596 -13.136 1.00 5.96 H new ATOM 0 HG3 GLU A 46 4.040 -11.400 -14.425 1.00 5.96 H new ATOM 299 N GLY A 47 3.513 -15.004 -12.925 1.00 5.76 N ATOM 300 CA GLY A 47 4.531 -15.987 -13.195 1.00 6.54 C ATOM 301 C GLY A 47 4.990 -16.637 -11.911 1.00 6.69 C ATOM 302 O GLY A 47 5.860 -16.110 -11.215 1.00 6.97 O ATOM 0 H GLY A 47 3.148 -15.030 -11.973 1.00 5.76 H new ATOM 0 HA2 GLY A 47 4.142 -16.745 -13.875 1.00 6.54 H new ATOM 0 HA3 GLY A 47 5.378 -15.515 -13.694 1.00 6.54 H new ATOM 306 N ASP A 48 4.390 -17.769 -11.584 1.00 6.81 N ATOM 307 CA ASP A 48 4.682 -18.452 -10.335 1.00 7.22 C ATOM 308 C ASP A 48 5.984 -19.222 -10.451 1.00 7.49 C ATOM 309 O ASP A 48 6.005 -20.400 -10.813 1.00 7.74 O ATOM 310 CB ASP A 48 3.537 -19.388 -9.936 1.00 7.72 C ATOM 311 CG ASP A 48 2.292 -18.635 -9.511 1.00 8.18 C ATOM 312 OD1 ASP A 48 2.137 -18.368 -8.300 1.00 8.38 O ATOM 313 OD2 ASP A 48 1.459 -18.300 -10.384 1.00 8.59 O ATOM 0 H ASP A 48 3.696 -18.236 -12.168 1.00 6.81 H new ATOM 0 HA ASP A 48 4.787 -17.701 -9.552 1.00 7.22 H new ATOM 0 HB2 ASP A 48 3.295 -20.039 -10.776 1.00 7.72 H new ATOM 0 HB3 ASP A 48 3.865 -20.031 -9.119 1.00 7.72 H new ATOM 318 N ILE A 49 7.075 -18.532 -10.169 1.00 7.75 N ATOM 319 CA ILE A 49 8.404 -19.106 -10.294 1.00 8.31 C ATOM 320 C ILE A 49 9.079 -19.238 -8.936 1.00 8.64 C ATOM 321 O ILE A 49 10.308 -19.227 -8.833 1.00 9.15 O ATOM 322 CB ILE A 49 9.175 -18.381 -11.092 1.00 8.70 C ATOM 323 CG1 ILE A 49 9.228 -16.919 -10.628 1.00 8.59 C ATOM 324 CG2 ILE A 49 8.691 -18.481 -12.533 1.00 9.24 C ATOM 325 CD1 ILE A 49 10.178 -16.060 -11.431 1.00 9.12 C ATOM 0 H ILE A 49 7.066 -17.564 -9.849 1.00 7.75 H new ATOM 0 HA ILE A 49 8.276 -20.097 -10.730 1.00 8.31 H new ATOM 0 HB ILE A 49 10.188 -18.779 -11.043 1.00 8.70 H new ATOM 0 HG12 ILE A 49 8.227 -16.492 -10.688 1.00 8.59 H new ATOM 0 HG13 ILE A 49 9.525 -16.890 -9.579 1.00 8.59 H new ATOM 0 HG21 ILE A 49 9.335 -17.880 -13.176 1.00 9.24 H new ATOM 0 HG22 ILE A 49 8.725 -19.521 -12.857 1.00 9.24 H new ATOM 0 HG23 ILE A 49 7.667 -18.113 -12.599 1.00 9.24 H new ATOM 0 HD11 ILE A 49 10.162 -15.041 -11.045 1.00 9.12 H new ATOM 0 HD12 ILE A 49 11.188 -16.462 -11.351 1.00 9.12 H new ATOM 0 HD13 ILE A 49 9.870 -16.057 -12.477 1.00 9.12 H new ATOM 337 N THR A 50 8.272 -19.303 -7.890 1.00 8.56 N ATOM 338 CA THR A 50 8.782 -19.446 -6.536 1.00 9.03 C ATOM 339 C THR A 50 7.950 -20.480 -5.775 1.00 9.23 C ATOM 340 O THR A 50 6.823 -20.785 -6.171 1.00 9.50 O ATOM 341 CB THR A 50 8.752 -18.282 -5.890 1.00 9.31 C ATOM 342 OG1 THR A 50 9.137 -17.218 -6.779 1.00 9.41 O ATOM 343 CG2 THR A 50 9.686 -18.273 -4.689 1.00 9.82 C ATOM 0 H THR A 50 7.255 -19.259 -7.953 1.00 8.56 H new ATOM 0 HA THR A 50 9.818 -19.781 -6.594 1.00 9.03 H new ATOM 0 HB THR A 50 7.731 -18.137 -5.536 1.00 9.31 H new ATOM 0 HG1 THR A 50 9.111 -16.364 -6.298 1.00 9.41 H new ATOM 0 HG21 THR A 50 9.630 -17.305 -4.192 1.00 9.82 H new ATOM 0 HG22 THR A 50 9.390 -19.057 -3.992 1.00 9.82 H new ATOM 0 HG23 THR A 50 10.709 -18.451 -5.022 1.00 9.82 H new ATOM 351 N GLY A 51 8.525 -21.066 -4.734 1.00 9.30 N ATOM 352 CA GLY A 51 7.790 -21.993 -3.897 1.00 9.62 C ATOM 353 C GLY A 51 7.574 -21.435 -2.509 1.00 9.32 C ATOM 354 O GLY A 51 7.786 -22.123 -1.511 1.00 9.37 O ATOM 0 H GLY A 51 9.494 -20.915 -4.453 1.00 9.30 H new ATOM 0 HA2 GLY A 51 6.826 -22.213 -4.356 1.00 9.62 H new ATOM 0 HA3 GLY A 51 8.334 -22.935 -3.831 1.00 9.62 H new ATOM 358 N ARG A 52 7.159 -20.179 -2.452 1.00 9.21 N ATOM 359 CA ARG A 52 6.927 -19.504 -1.184 1.00 9.00 C ATOM 360 C ARG A 52 5.541 -19.817 -0.649 1.00 8.48 C ATOM 361 O ARG A 52 4.733 -20.461 -1.320 1.00 8.73 O ATOM 362 CB ARG A 52 7.057 -17.987 -1.348 1.00 9.54 C ATOM 363 CG ARG A 52 8.485 -17.483 -1.390 1.00 10.23 C ATOM 364 CD ARG A 52 8.523 -15.969 -1.527 1.00 10.92 C ATOM 365 NE ARG A 52 9.866 -15.429 -1.334 1.00 11.43 N ATOM 366 CZ ARG A 52 10.148 -14.128 -1.306 1.00 12.12 C ATOM 367 NH1 ARG A 52 9.201 -13.231 -1.563 1.00 12.40 N ATOM 368 NH2 ARG A 52 11.385 -13.728 -1.047 1.00 12.72 N ATOM 0 H ARG A 52 6.975 -19.604 -3.274 1.00 9.21 H new ATOM 0 HA ARG A 52 7.678 -19.864 -0.481 1.00 9.00 H new ATOM 0 HB2 ARG A 52 6.552 -17.688 -2.267 1.00 9.54 H new ATOM 0 HB3 ARG A 52 6.536 -17.499 -0.524 1.00 9.54 H new ATOM 0 HG2 ARG A 52 9.007 -17.783 -0.482 1.00 10.23 H new ATOM 0 HG3 ARG A 52 9.012 -17.941 -2.227 1.00 10.23 H new ATOM 0 HD2 ARG A 52 8.159 -15.686 -2.515 1.00 10.92 H new ATOM 0 HD3 ARG A 52 7.846 -15.523 -0.798 1.00 10.92 H new ATOM 0 HE ARG A 52 10.635 -16.088 -1.213 1.00 11.43 H new ATOM 0 HH11 ARG A 52 8.254 -13.538 -1.783 1.00 12.40 H new ATOM 0 HH12 ARG A 52 9.422 -12.235 -1.540 1.00 12.40 H new ATOM 0 HH21 ARG A 52 12.117 -14.416 -0.870 1.00 12.72 H new ATOM 0 HH22 ARG A 52 11.605 -12.732 -1.025 1.00 12.72 H new ATOM 382 N ASP A 53 5.279 -19.366 0.566 1.00 7.97 N ATOM 383 CA ASP A 53 3.939 -19.413 1.122 1.00 7.57 C ATOM 384 C ASP A 53 3.196 -18.149 0.713 1.00 7.11 C ATOM 385 O ASP A 53 3.537 -17.047 1.151 1.00 6.96 O ATOM 386 CB ASP A 53 3.985 -19.543 2.646 1.00 7.63 C ATOM 387 CG ASP A 53 2.605 -19.597 3.265 1.00 7.90 C ATOM 388 OD1 ASP A 53 2.153 -18.569 3.812 1.00 8.01 O ATOM 389 OD2 ASP A 53 1.964 -20.664 3.196 1.00 8.24 O ATOM 0 H ASP A 53 5.980 -18.962 1.187 1.00 7.97 H new ATOM 0 HA ASP A 53 3.416 -20.288 0.735 1.00 7.57 H new ATOM 0 HB2 ASP A 53 4.535 -20.445 2.914 1.00 7.63 H new ATOM 0 HB3 ASP A 53 4.534 -18.699 3.063 1.00 7.63 H new ATOM 394 N PRO A 54 2.185 -18.291 -0.157 1.00 7.19 N ATOM 395 CA PRO A 54 1.480 -17.161 -0.774 1.00 7.04 C ATOM 396 C PRO A 54 0.519 -16.440 0.174 1.00 6.40 C ATOM 397 O PRO A 54 -0.371 -15.718 -0.270 1.00 6.42 O ATOM 398 CB PRO A 54 0.698 -17.810 -1.931 1.00 7.72 C ATOM 399 CG PRO A 54 1.179 -19.223 -2.008 1.00 8.11 C ATOM 400 CD PRO A 54 1.657 -19.571 -0.633 1.00 7.77 C ATOM 0 HA PRO A 54 2.183 -16.388 -1.084 1.00 7.04 H new ATOM 0 HB2 PRO A 54 -0.376 -17.772 -1.746 1.00 7.72 H new ATOM 0 HB3 PRO A 54 0.879 -17.284 -2.868 1.00 7.72 H new ATOM 0 HG2 PRO A 54 0.378 -19.891 -2.323 1.00 8.11 H new ATOM 0 HG3 PRO A 54 1.983 -19.322 -2.737 1.00 8.11 H new ATOM 0 HD2 PRO A 54 0.848 -19.938 -0.001 1.00 7.77 H new ATOM 0 HD3 PRO A 54 2.423 -20.346 -0.652 1.00 7.77 H new ATOM 408 N LYS A 55 0.711 -16.612 1.473 1.00 6.12 N ATOM 409 CA LYS A 55 -0.105 -15.922 2.464 1.00 5.80 C ATOM 410 C LYS A 55 0.642 -14.700 2.987 1.00 5.33 C ATOM 411 O LYS A 55 0.492 -14.296 4.141 1.00 5.67 O ATOM 412 CB LYS A 55 -0.451 -16.864 3.617 1.00 6.46 C ATOM 413 CG LYS A 55 -1.135 -18.147 3.174 1.00 7.19 C ATOM 414 CD LYS A 55 -1.371 -19.084 4.349 1.00 8.01 C ATOM 415 CE LYS A 55 -1.959 -20.409 3.896 1.00 8.64 C ATOM 416 NZ LYS A 55 -2.121 -21.356 5.028 1.00 9.24 N ATOM 0 H LYS A 55 1.425 -17.224 1.867 1.00 6.12 H new ATOM 0 HA LYS A 55 -1.033 -15.597 1.994 1.00 5.80 H new ATOM 0 HB2 LYS A 55 0.463 -17.117 4.154 1.00 6.46 H new ATOM 0 HB3 LYS A 55 -1.100 -16.341 4.320 1.00 6.46 H new ATOM 0 HG2 LYS A 55 -2.087 -17.909 2.700 1.00 7.19 H new ATOM 0 HG3 LYS A 55 -0.522 -18.648 2.425 1.00 7.19 H new ATOM 0 HD2 LYS A 55 -0.429 -19.261 4.869 1.00 8.01 H new ATOM 0 HD3 LYS A 55 -2.045 -18.611 5.063 1.00 8.01 H new ATOM 0 HE2 LYS A 55 -2.927 -20.235 3.426 1.00 8.64 H new ATOM 0 HE3 LYS A 55 -1.313 -20.854 3.140 1.00 8.64 H new ATOM 0 HZ1 LYS A 55 -2.525 -22.249 4.679 1.00 9.24 H new ATOM 0 HZ2 LYS A 55 -1.194 -21.541 5.461 1.00 9.24 H new ATOM 0 HZ3 LYS A 55 -2.758 -20.942 5.738 1.00 9.24 H new ATOM 430 N GLN A 56 1.440 -14.108 2.116 1.00 4.97 N ATOM 431 CA GLN A 56 2.248 -12.953 2.477 1.00 4.93 C ATOM 432 C GLN A 56 1.546 -11.661 2.077 1.00 4.31 C ATOM 433 O GLN A 56 1.432 -10.732 2.875 1.00 4.54 O ATOM 434 CB GLN A 56 3.619 -13.041 1.803 1.00 5.58 C ATOM 435 CG GLN A 56 4.568 -11.915 2.182 1.00 6.20 C ATOM 436 CD GLN A 56 4.822 -11.836 3.674 1.00 6.94 C ATOM 437 OE1 GLN A 56 4.757 -12.840 4.386 1.00 7.39 O ATOM 438 NE2 GLN A 56 5.122 -10.642 4.157 1.00 7.40 N ATOM 0 H GLN A 56 1.547 -14.409 1.147 1.00 4.97 H new ATOM 0 HA GLN A 56 2.385 -12.949 3.558 1.00 4.93 H new ATOM 0 HB2 GLN A 56 4.080 -13.994 2.063 1.00 5.58 H new ATOM 0 HB3 GLN A 56 3.482 -13.038 0.722 1.00 5.58 H new ATOM 0 HG2 GLN A 56 5.517 -12.056 1.664 1.00 6.20 H new ATOM 0 HG3 GLN A 56 4.155 -10.967 1.838 1.00 6.20 H new ATOM 0 HE21 GLN A 56 5.166 -9.836 3.534 1.00 7.40 H new ATOM 0 HE22 GLN A 56 5.310 -10.527 5.153 1.00 7.40 H new ATOM 447 N VAL A 57 1.072 -11.614 0.839 1.00 3.91 N ATOM 448 CA VAL A 57 0.407 -10.426 0.320 1.00 3.65 C ATOM 449 C VAL A 57 -0.980 -10.766 -0.203 1.00 2.70 C ATOM 450 O VAL A 57 -1.324 -11.944 -0.292 1.00 3.03 O ATOM 451 CB VAL A 57 1.105 -9.840 -0.648 1.00 4.38 C ATOM 452 CG1 VAL A 57 2.380 -9.213 -0.095 1.00 5.06 C ATOM 453 CG2 VAL A 57 1.433 -10.812 -1.777 1.00 4.94 C ATOM 0 H VAL A 57 1.136 -12.386 0.175 1.00 3.91 H new ATOM 0 HA VAL A 57 0.326 -9.729 1.154 1.00 3.65 H new ATOM 0 HB VAL A 57 0.481 -9.049 -1.064 1.00 4.38 H new ATOM 0 HG11 VAL A 57 2.934 -8.740 -0.906 1.00 5.06 H new ATOM 0 HG12 VAL A 57 2.122 -8.464 0.654 1.00 5.06 H new ATOM 0 HG13 VAL A 57 2.997 -9.986 0.363 1.00 5.06 H new ATOM 0 HG21 VAL A 57 2.004 -10.295 -2.548 1.00 4.94 H new ATOM 0 HG22 VAL A 57 2.022 -11.641 -1.384 1.00 4.94 H new ATOM 0 HG23 VAL A 57 0.508 -11.196 -2.207 1.00 4.94 H new ATOM 463 N ILE A 58 -1.751 -9.711 -0.527 1.00 2.02 N ATOM 464 CA ILE A 58 -3.124 -9.786 -1.073 1.00 1.38 C ATOM 465 C ILE A 58 -4.069 -10.682 -0.275 1.00 1.46 C ATOM 466 O ILE A 58 -3.668 -11.432 0.617 1.00 1.83 O ATOM 467 CB ILE A 58 -3.174 -10.110 -2.371 1.00 1.94 C ATOM 468 CG1 ILE A 58 -2.817 -11.579 -2.646 1.00 2.47 C ATOM 469 CG2 ILE A 58 -2.274 -9.177 -3.175 1.00 2.66 C ATOM 470 CD1 ILE A 58 -2.911 -11.970 -4.104 1.00 3.17 C ATOM 0 H ILE A 58 -1.427 -8.751 -0.413 1.00 2.02 H new ATOM 0 HA ILE A 58 -3.482 -8.762 -0.970 1.00 1.38 H new ATOM 0 HB ILE A 58 -4.209 -9.987 -2.688 1.00 1.94 H new ATOM 0 HG12 ILE A 58 -1.803 -11.768 -2.294 1.00 2.47 H new ATOM 0 HG13 ILE A 58 -3.481 -12.219 -2.065 1.00 2.47 H new ATOM 0 HG21 ILE A 58 -2.320 -9.447 -4.230 1.00 2.66 H new ATOM 0 HG22 ILE A 58 -2.611 -8.148 -3.049 1.00 2.66 H new ATOM 0 HG23 ILE A 58 -1.247 -9.268 -2.822 1.00 2.66 H new ATOM 0 HD11 ILE A 58 -2.644 -13.021 -4.217 1.00 3.17 H new ATOM 0 HD12 ILE A 58 -3.930 -11.814 -4.457 1.00 3.17 H new ATOM 0 HD13 ILE A 58 -2.226 -11.357 -4.690 1.00 3.17 H new ATOM 482 N GLY A 59 -5.349 -10.543 -0.581 1.00 1.92 N ATOM 483 CA GLY A 59 -6.375 -11.290 0.123 1.00 2.81 C ATOM 484 C GLY A 59 -6.352 -10.982 1.603 1.00 2.70 C ATOM 485 O GLY A 59 -6.526 -11.867 2.443 1.00 3.24 O ATOM 0 H GLY A 59 -5.700 -9.922 -1.310 1.00 1.92 H new ATOM 0 HA2 GLY A 59 -7.354 -11.045 -0.288 1.00 2.81 H new ATOM 0 HA3 GLY A 59 -6.223 -12.358 -0.032 1.00 2.81 H new ATOM 489 N LYS A 60 -6.140 -9.713 1.915 1.00 2.08 N ATOM 490 CA LYS A 60 -5.919 -9.279 3.276 1.00 2.08 C ATOM 491 C LYS A 60 -7.143 -8.577 3.832 1.00 2.02 C ATOM 492 O LYS A 60 -7.415 -7.428 3.505 1.00 1.74 O ATOM 493 CB LYS A 60 -4.703 -8.348 3.320 1.00 1.96 C ATOM 494 CG LYS A 60 -4.487 -7.640 4.657 1.00 2.22 C ATOM 495 CD LYS A 60 -4.543 -8.595 5.843 1.00 2.80 C ATOM 496 CE LYS A 60 -3.473 -9.670 5.768 1.00 3.43 C ATOM 497 NZ LYS A 60 -3.602 -10.644 6.881 1.00 3.85 N ATOM 0 H LYS A 60 -6.117 -8.959 1.228 1.00 2.08 H new ATOM 0 HA LYS A 60 -5.730 -10.155 3.897 1.00 2.08 H new ATOM 0 HB2 LYS A 60 -3.811 -8.927 3.083 1.00 1.96 H new ATOM 0 HB3 LYS A 60 -4.811 -7.595 2.539 1.00 1.96 H new ATOM 0 HG2 LYS A 60 -3.520 -7.138 4.645 1.00 2.22 H new ATOM 0 HG3 LYS A 60 -5.246 -6.868 4.781 1.00 2.22 H new ATOM 0 HD2 LYS A 60 -4.423 -8.030 6.767 1.00 2.80 H new ATOM 0 HD3 LYS A 60 -5.525 -9.065 5.882 1.00 2.80 H new ATOM 0 HE2 LYS A 60 -3.547 -10.193 4.815 1.00 3.43 H new ATOM 0 HE3 LYS A 60 -2.487 -9.207 5.801 1.00 3.43 H new ATOM 0 HZ1 LYS A 60 -2.856 -11.364 6.800 1.00 3.85 H new ATOM 0 HZ2 LYS A 60 -3.506 -10.147 7.790 1.00 3.85 H new ATOM 0 HZ3 LYS A 60 -4.534 -11.103 6.834 1.00 3.85 H new ATOM 511 N ASN A 61 -7.892 -9.293 4.645 1.00 2.50 N ATOM 512 CA ASN A 61 -8.993 -8.707 5.393 1.00 2.76 C ATOM 513 C ASN A 61 -8.485 -8.319 6.766 1.00 3.11 C ATOM 514 O ASN A 61 -8.177 -9.185 7.584 1.00 3.53 O ATOM 515 CB ASN A 61 -10.134 -9.704 5.546 1.00 3.24 C ATOM 516 CG ASN A 61 -10.896 -9.975 4.258 1.00 3.68 C ATOM 517 OD1 ASN A 61 -12.081 -10.307 4.289 1.00 4.05 O ATOM 518 ND2 ASN A 61 -10.237 -9.831 3.120 1.00 4.18 N ATOM 0 H ASN A 61 -7.759 -10.291 4.808 1.00 2.50 H new ATOM 0 HA ASN A 61 -9.367 -7.835 4.857 1.00 2.76 H new ATOM 0 HB2 ASN A 61 -9.733 -10.645 5.923 1.00 3.24 H new ATOM 0 HB3 ASN A 61 -10.831 -9.331 6.297 1.00 3.24 H new ATOM 0 HD21 ASN A 61 -10.711 -9.996 2.232 1.00 4.18 H new ATOM 0 HD22 ASN A 61 -9.255 -9.555 3.131 1.00 4.18 H new ATOM 525 N PHE A 62 -8.363 -7.033 7.013 1.00 3.09 N ATOM 526 CA PHE A 62 -7.790 -6.578 8.262 1.00 3.55 C ATOM 527 C PHE A 62 -8.870 -6.391 9.317 1.00 4.05 C ATOM 528 O PHE A 62 -9.559 -5.371 9.358 1.00 4.38 O ATOM 529 CB PHE A 62 -6.999 -5.297 8.042 1.00 4.05 C ATOM 530 CG PHE A 62 -6.173 -4.887 9.230 1.00 4.80 C ATOM 531 CD1 PHE A 62 -6.528 -3.781 9.988 1.00 5.37 C ATOM 532 CD2 PHE A 62 -5.044 -5.605 9.590 1.00 5.28 C ATOM 533 CE1 PHE A 62 -5.772 -3.400 11.081 1.00 6.27 C ATOM 534 CE2 PHE A 62 -4.285 -5.231 10.683 1.00 6.21 C ATOM 535 CZ PHE A 62 -4.642 -4.136 11.428 1.00 6.66 C ATOM 0 H PHE A 62 -8.649 -6.291 6.374 1.00 3.09 H new ATOM 0 HA PHE A 62 -7.103 -7.340 8.630 1.00 3.55 H new ATOM 0 HB2 PHE A 62 -6.343 -5.429 7.182 1.00 4.05 H new ATOM 0 HB3 PHE A 62 -7.690 -4.491 7.795 1.00 4.05 H new ATOM 0 HD1 PHE A 62 -7.405 -3.211 9.721 1.00 5.37 H new ATOM 0 HD2 PHE A 62 -4.753 -6.468 9.009 1.00 5.28 H new ATOM 0 HE1 PHE A 62 -6.056 -2.536 11.663 1.00 6.27 H new ATOM 0 HE2 PHE A 62 -3.409 -5.802 10.951 1.00 6.21 H new ATOM 0 HZ PHE A 62 -4.048 -3.845 12.282 1.00 6.66 H new ATOM 545 N PHE A 63 -9.030 -7.412 10.141 1.00 4.57 N ATOM 546 CA PHE A 63 -9.983 -7.387 11.235 1.00 5.42 C ATOM 547 C PHE A 63 -9.422 -6.575 12.397 1.00 5.92 C ATOM 548 O PHE A 63 -8.204 -6.433 12.534 1.00 6.42 O ATOM 549 CB PHE A 63 -10.308 -8.820 11.681 1.00 6.08 C ATOM 550 CG PHE A 63 -9.100 -9.720 11.762 1.00 6.58 C ATOM 551 CD1 PHE A 63 -8.380 -9.828 12.944 1.00 7.21 C ATOM 552 CD2 PHE A 63 -8.686 -10.459 10.664 1.00 6.73 C ATOM 553 CE1 PHE A 63 -7.275 -10.654 13.029 1.00 7.98 C ATOM 554 CE2 PHE A 63 -7.579 -11.285 10.745 1.00 7.51 C ATOM 555 CZ PHE A 63 -6.868 -11.378 11.897 1.00 8.13 C ATOM 0 H PHE A 63 -8.502 -8.282 10.070 1.00 4.57 H new ATOM 0 HA PHE A 63 -10.905 -6.913 10.896 1.00 5.42 H new ATOM 0 HB2 PHE A 63 -10.791 -8.786 12.658 1.00 6.08 H new ATOM 0 HB3 PHE A 63 -11.027 -9.253 10.985 1.00 6.08 H new ATOM 0 HD1 PHE A 63 -8.687 -9.259 13.809 1.00 7.21 H new ATOM 0 HD2 PHE A 63 -9.234 -10.389 9.736 1.00 6.73 H new ATOM 0 HE1 PHE A 63 -6.730 -10.742 13.957 1.00 7.98 H new ATOM 0 HE2 PHE A 63 -7.278 -11.861 9.883 1.00 7.51 H new ATOM 0 HZ PHE A 63 -5.991 -12.007 11.943 1.00 8.13 H new ATOM 565 N LYS A 64 -10.307 -6.039 13.230 1.00 6.06 N ATOM 566 CA LYS A 64 -9.886 -5.232 14.367 1.00 6.71 C ATOM 567 C LYS A 64 -9.340 -6.110 15.490 1.00 6.68 C ATOM 568 O LYS A 64 -9.989 -6.333 16.511 1.00 6.92 O ATOM 569 CB LYS A 64 -11.028 -4.335 14.868 1.00 7.46 C ATOM 570 CG LYS A 64 -12.348 -5.059 15.100 1.00 8.15 C ATOM 571 CD LYS A 64 -13.400 -4.124 15.681 1.00 8.91 C ATOM 572 CE LYS A 64 -13.039 -3.688 17.093 1.00 9.51 C ATOM 573 NZ LYS A 64 -14.007 -2.703 17.638 1.00 10.05 N ATOM 0 H LYS A 64 -11.317 -6.149 13.139 1.00 6.06 H new ATOM 0 HA LYS A 64 -9.080 -4.580 14.031 1.00 6.71 H new ATOM 0 HB2 LYS A 64 -10.719 -3.863 15.800 1.00 7.46 H new ATOM 0 HB3 LYS A 64 -11.189 -3.536 14.144 1.00 7.46 H new ATOM 0 HG2 LYS A 64 -12.708 -5.473 14.158 1.00 8.15 H new ATOM 0 HG3 LYS A 64 -12.190 -5.898 15.778 1.00 8.15 H new ATOM 0 HD2 LYS A 64 -13.501 -3.246 15.043 1.00 8.91 H new ATOM 0 HD3 LYS A 64 -14.368 -4.625 15.690 1.00 8.91 H new ATOM 0 HE2 LYS A 64 -13.006 -4.561 17.744 1.00 9.51 H new ATOM 0 HE3 LYS A 64 -12.040 -3.252 17.093 1.00 9.51 H new ATOM 0 HZ1 LYS A 64 -13.723 -2.433 18.601 1.00 10.05 H new ATOM 0 HZ2 LYS A 64 -14.021 -1.858 17.032 1.00 10.05 H new ATOM 0 HZ3 LYS A 64 -14.956 -3.127 17.663 1.00 10.05 H new ATOM 587 N ASP A 65 -8.133 -6.617 15.277 1.00 6.69 N ATOM 588 CA ASP A 65 -7.453 -7.456 16.257 1.00 6.98 C ATOM 589 C ASP A 65 -6.694 -6.586 17.256 1.00 7.54 C ATOM 590 O ASP A 65 -5.990 -7.087 18.134 1.00 7.94 O ATOM 591 CB ASP A 65 -6.495 -8.417 15.541 1.00 7.04 C ATOM 592 CG ASP A 65 -5.872 -9.442 16.470 1.00 7.56 C ATOM 593 OD1 ASP A 65 -4.631 -9.446 16.611 1.00 7.91 O ATOM 594 OD2 ASP A 65 -6.620 -10.243 17.073 1.00 7.87 O ATOM 0 H ASP A 65 -7.598 -6.459 14.423 1.00 6.69 H new ATOM 0 HA ASP A 65 -8.192 -8.041 16.804 1.00 6.98 H new ATOM 0 HB2 ASP A 65 -7.035 -8.935 14.749 1.00 7.04 H new ATOM 0 HB3 ASP A 65 -5.703 -7.841 15.063 1.00 7.04 H new ATOM 599 N VAL A 66 -6.878 -5.269 17.123 1.00 7.81 N ATOM 600 CA VAL A 66 -6.195 -4.283 17.959 1.00 8.51 C ATOM 601 C VAL A 66 -4.681 -4.431 17.801 1.00 8.76 C ATOM 602 O VAL A 66 -3.965 -4.847 18.718 1.00 9.29 O ATOM 603 CB VAL A 66 -6.536 -4.382 19.243 1.00 8.83 C ATOM 604 CG1 VAL A 66 -6.004 -3.190 20.034 1.00 9.35 C ATOM 605 CG2 VAL A 66 -8.046 -4.490 19.412 1.00 8.99 C ATOM 0 H VAL A 66 -7.506 -4.858 16.432 1.00 7.81 H new ATOM 0 HA VAL A 66 -6.507 -3.295 17.621 1.00 8.51 H new ATOM 0 HB VAL A 66 -6.086 -5.295 19.633 1.00 8.83 H new ATOM 0 HG11 VAL A 66 -6.293 -3.289 21.080 1.00 9.35 H new ATOM 0 HG12 VAL A 66 -4.917 -3.160 19.959 1.00 9.35 H new ATOM 0 HG13 VAL A 66 -6.422 -2.269 19.628 1.00 9.35 H new ATOM 0 HG21 VAL A 66 -8.289 -4.569 20.472 1.00 8.99 H new ATOM 0 HG22 VAL A 66 -8.523 -3.603 18.996 1.00 8.99 H new ATOM 0 HG23 VAL A 66 -8.408 -5.375 18.890 1.00 8.99 H new ATOM 615 N ALA A 67 -4.207 -4.098 16.611 1.00 8.55 N ATOM 616 CA ALA A 67 -2.790 -4.158 16.305 1.00 8.92 C ATOM 617 C ALA A 67 -2.378 -2.954 15.467 1.00 9.09 C ATOM 618 O ALA A 67 -2.362 -3.018 14.241 1.00 9.14 O ATOM 619 CB ALA A 67 -2.455 -5.453 15.577 1.00 9.16 C ATOM 0 H ALA A 67 -4.790 -3.781 15.836 1.00 8.55 H new ATOM 0 HA ALA A 67 -2.233 -4.136 17.242 1.00 8.92 H new ATOM 0 HB1 ALA A 67 -1.388 -5.480 15.356 1.00 9.16 H new ATOM 0 HB2 ALA A 67 -2.717 -6.303 16.207 1.00 9.16 H new ATOM 0 HB3 ALA A 67 -3.020 -5.504 14.646 1.00 9.16 H new ATOM 625 N PRO A 68 -2.088 -1.820 16.121 1.00 9.42 N ATOM 626 CA PRO A 68 -1.684 -0.600 15.433 1.00 9.81 C ATOM 627 C PRO A 68 -0.181 -0.535 15.193 1.00 10.00 C ATOM 628 O PRO A 68 0.335 0.461 14.685 1.00 10.26 O ATOM 629 CB PRO A 68 -2.120 0.489 16.409 1.00 10.35 C ATOM 630 CG PRO A 68 -1.975 -0.132 17.761 1.00 10.29 C ATOM 631 CD PRO A 68 -2.156 -1.623 17.583 1.00 9.70 C ATOM 0 HA PRO A 68 -2.125 -0.516 14.440 1.00 9.81 H new ATOM 0 HB2 PRO A 68 -1.498 1.379 16.313 1.00 10.35 H new ATOM 0 HB3 PRO A 68 -3.149 0.798 16.224 1.00 10.35 H new ATOM 0 HG2 PRO A 68 -0.995 0.090 18.185 1.00 10.29 H new ATOM 0 HG3 PRO A 68 -2.718 0.267 18.451 1.00 10.29 H new ATOM 0 HD2 PRO A 68 -1.376 -2.184 18.098 1.00 9.70 H new ATOM 0 HD3 PRO A 68 -3.111 -1.960 17.987 1.00 9.70 H new ATOM 639 N CYS A 69 0.524 -1.595 15.565 1.00 10.09 N ATOM 640 CA CYS A 69 1.963 -1.637 15.390 1.00 10.43 C ATOM 641 C CYS A 69 2.359 -2.687 14.361 1.00 10.35 C ATOM 642 O CYS A 69 2.597 -3.847 14.696 1.00 10.58 O ATOM 643 CB CYS A 69 2.671 -1.916 16.713 1.00 10.98 C ATOM 644 SG CYS A 69 2.376 -0.666 18.003 1.00 11.49 S ATOM 0 H CYS A 69 0.122 -2.432 15.988 1.00 10.09 H new ATOM 0 HA CYS A 69 2.275 -0.657 15.028 1.00 10.43 H new ATOM 0 HB2 CYS A 69 2.348 -2.888 17.086 1.00 10.98 H new ATOM 0 HB3 CYS A 69 3.743 -1.985 16.530 1.00 10.98 H new ATOM 649 N THR A 70 2.355 -2.287 13.101 1.00 10.23 N ATOM 650 CA THR A 70 2.915 -3.098 12.036 1.00 10.31 C ATOM 651 C THR A 70 3.863 -2.235 11.200 1.00 10.28 C ATOM 652 O THR A 70 3.673 -2.052 9.995 1.00 10.36 O ATOM 653 CB THR A 70 1.969 -3.611 11.268 1.00 10.47 C ATOM 654 OG1 THR A 70 0.871 -4.050 12.081 1.00 10.95 O ATOM 655 CG2 THR A 70 2.494 -4.791 10.463 1.00 10.51 C ATOM 0 H THR A 70 1.966 -1.397 12.790 1.00 10.23 H new ATOM 0 HA THR A 70 3.461 -3.930 12.481 1.00 10.31 H new ATOM 0 HB THR A 70 1.639 -2.836 10.576 1.00 10.47 H new ATOM 0 HG1 THR A 70 0.171 -4.428 11.509 1.00 10.95 H new ATOM 0 HG21 THR A 70 1.694 -5.192 9.841 1.00 10.51 H new ATOM 0 HG22 THR A 70 3.316 -4.461 9.828 1.00 10.51 H new ATOM 0 HG23 THR A 70 2.848 -5.566 11.142 1.00 10.51 H new ATOM 663 N ASP A 71 4.854 -1.658 11.887 1.00 10.38 N ATOM 664 CA ASP A 71 5.874 -0.798 11.269 1.00 10.55 C ATOM 665 C ASP A 71 5.277 0.482 10.699 1.00 10.46 C ATOM 666 O ASP A 71 5.951 1.219 9.978 1.00 10.82 O ATOM 667 CB ASP A 71 6.646 -1.539 10.172 1.00 11.00 C ATOM 668 CG ASP A 71 7.560 -2.605 10.729 1.00 11.33 C ATOM 669 OD1 ASP A 71 7.245 -3.805 10.569 1.00 11.56 O ATOM 670 OD2 ASP A 71 8.592 -2.251 11.332 1.00 11.54 O ATOM 0 H ASP A 71 4.974 -1.774 12.893 1.00 10.38 H new ATOM 0 HA ASP A 71 6.566 -0.527 12.066 1.00 10.55 H new ATOM 0 HB2 ASP A 71 5.939 -1.996 9.480 1.00 11.00 H new ATOM 0 HB3 ASP A 71 7.235 -0.823 9.599 1.00 11.00 H new ATOM 675 N SER A 72 4.028 0.764 11.033 1.00 10.16 N ATOM 676 CA SER A 72 3.374 1.957 10.531 1.00 10.18 C ATOM 677 C SER A 72 2.346 2.481 11.535 1.00 9.81 C ATOM 678 O SER A 72 1.162 2.158 11.445 1.00 9.67 O ATOM 679 CB SER A 72 2.708 1.655 9.180 1.00 10.51 C ATOM 680 OG SER A 72 2.268 2.838 8.529 1.00 10.96 O ATOM 0 H SER A 72 3.452 0.186 11.645 1.00 10.16 H new ATOM 0 HA SER A 72 4.126 2.734 10.390 1.00 10.18 H new ATOM 0 HB2 SER A 72 3.414 1.128 8.537 1.00 10.51 H new ATOM 0 HB3 SER A 72 1.859 0.989 9.335 1.00 10.51 H new ATOM 0 HG SER A 72 2.348 3.598 9.142 1.00 10.96 H new ATOM 686 N PRO A 73 2.790 3.269 12.531 1.00 9.90 N ATOM 687 CA PRO A 73 1.881 3.932 13.472 1.00 9.80 C ATOM 688 C PRO A 73 0.920 4.848 12.727 1.00 9.46 C ATOM 689 O PRO A 73 -0.301 4.757 12.878 1.00 9.61 O ATOM 690 CB PRO A 73 2.814 4.738 14.380 1.00 10.31 C ATOM 691 CG PRO A 73 4.149 4.089 14.231 1.00 10.68 C ATOM 692 CD PRO A 73 4.200 3.571 12.822 1.00 10.39 C ATOM 0 HA PRO A 73 1.261 3.231 14.030 1.00 9.80 H new ATOM 0 HB2 PRO A 73 2.848 5.786 14.081 1.00 10.31 H new ATOM 0 HB3 PRO A 73 2.476 4.713 15.416 1.00 10.31 H new ATOM 0 HG2 PRO A 73 4.953 4.802 14.414 1.00 10.68 H new ATOM 0 HG3 PRO A 73 4.272 3.279 14.950 1.00 10.68 H new ATOM 0 HD2 PRO A 73 4.605 4.313 12.133 1.00 10.39 H new ATOM 0 HD3 PRO A 73 4.828 2.684 12.740 1.00 10.39 H new ATOM 700 N GLU A 74 1.489 5.737 11.926 1.00 9.22 N ATOM 701 CA GLU A 74 0.722 6.478 10.948 1.00 9.06 C ATOM 702 C GLU A 74 0.779 5.730 9.629 1.00 8.23 C ATOM 703 O GLU A 74 1.861 5.492 9.091 1.00 8.21 O ATOM 704 CB GLU A 74 1.262 7.895 10.770 1.00 9.74 C ATOM 705 CG GLU A 74 0.958 8.818 11.934 1.00 10.53 C ATOM 706 CD GLU A 74 1.347 10.252 11.645 1.00 11.29 C ATOM 707 OE1 GLU A 74 1.088 10.732 10.524 1.00 11.57 O ATOM 708 OE2 GLU A 74 1.911 10.911 12.547 1.00 11.76 O ATOM 0 H GLU A 74 2.484 5.960 11.938 1.00 9.22 H new ATOM 0 HA GLU A 74 -0.308 6.564 11.294 1.00 9.06 H new ATOM 0 HB2 GLU A 74 2.342 7.847 10.629 1.00 9.74 H new ATOM 0 HB3 GLU A 74 0.841 8.322 9.860 1.00 9.74 H new ATOM 0 HG2 GLU A 74 -0.107 8.772 12.164 1.00 10.53 H new ATOM 0 HG3 GLU A 74 1.490 8.471 12.819 1.00 10.53 H new ATOM 715 N PHE A 75 -0.382 5.341 9.129 1.00 7.77 N ATOM 716 CA PHE A 75 -0.464 4.506 7.939 1.00 7.11 C ATOM 717 C PHE A 75 0.044 5.238 6.701 1.00 6.04 C ATOM 718 O PHE A 75 -0.509 6.271 6.313 1.00 6.09 O ATOM 719 CB PHE A 75 -1.905 4.038 7.717 1.00 7.64 C ATOM 720 CG PHE A 75 -2.447 3.211 8.847 1.00 8.33 C ATOM 721 CD1 PHE A 75 -2.180 1.854 8.917 1.00 8.82 C ATOM 722 CD2 PHE A 75 -3.221 3.789 9.840 1.00 8.70 C ATOM 723 CE1 PHE A 75 -2.673 1.089 9.957 1.00 9.64 C ATOM 724 CE2 PHE A 75 -3.717 3.031 10.883 1.00 9.54 C ATOM 725 CZ PHE A 75 -3.443 1.679 10.942 1.00 10.00 C ATOM 0 H PHE A 75 -1.286 5.591 9.530 1.00 7.77 H new ATOM 0 HA PHE A 75 0.176 3.639 8.101 1.00 7.11 H new ATOM 0 HB2 PHE A 75 -2.544 4.910 7.576 1.00 7.64 H new ATOM 0 HB3 PHE A 75 -1.952 3.456 6.796 1.00 7.64 H new ATOM 0 HD1 PHE A 75 -1.579 1.388 8.150 1.00 8.82 H new ATOM 0 HD2 PHE A 75 -3.439 4.846 9.798 1.00 8.70 H new ATOM 0 HE1 PHE A 75 -2.457 0.032 10.000 1.00 9.64 H new ATOM 0 HE2 PHE A 75 -4.318 3.495 11.651 1.00 9.54 H new ATOM 0 HZ PHE A 75 -3.829 1.084 11.756 1.00 10.00 H new ATOM 735 N TYR A 76 1.117 4.700 6.114 1.00 5.40 N ATOM 736 CA TYR A 76 1.671 5.182 4.847 1.00 4.59 C ATOM 737 C TYR A 76 1.892 6.696 4.849 1.00 3.79 C ATOM 738 O TYR A 76 2.724 7.205 5.601 1.00 3.92 O ATOM 739 CB TYR A 76 0.775 4.765 3.671 1.00 4.75 C ATOM 740 CG TYR A 76 0.678 3.265 3.481 1.00 5.22 C ATOM 741 CD1 TYR A 76 1.603 2.582 2.701 1.00 5.71 C ATOM 742 CD2 TYR A 76 -0.339 2.531 4.085 1.00 5.53 C ATOM 743 CE1 TYR A 76 1.519 1.211 2.526 1.00 6.42 C ATOM 744 CE2 TYR A 76 -0.430 1.163 3.916 1.00 6.25 C ATOM 745 CZ TYR A 76 0.501 0.507 3.137 1.00 6.65 C ATOM 746 OH TYR A 76 0.410 -0.859 2.968 1.00 7.53 O ATOM 0 H TYR A 76 1.629 3.911 6.509 1.00 5.40 H new ATOM 0 HA TYR A 76 2.649 4.716 4.726 1.00 4.59 H new ATOM 0 HB2 TYR A 76 -0.226 5.168 3.828 1.00 4.75 H new ATOM 0 HB3 TYR A 76 1.160 5.214 2.755 1.00 4.75 H new ATOM 0 HD1 TYR A 76 2.401 3.130 2.223 1.00 5.71 H new ATOM 0 HD2 TYR A 76 -1.070 3.040 4.696 1.00 5.53 H new ATOM 0 HE1 TYR A 76 2.246 0.696 1.915 1.00 6.42 H new ATOM 0 HE2 TYR A 76 -1.226 0.609 4.391 1.00 6.25 H new ATOM 0 HH TYR A 76 -0.362 -1.200 3.466 1.00 7.53 H new ATOM 756 N GLY A 77 1.139 7.415 4.022 1.00 3.20 N ATOM 757 CA GLY A 77 1.295 8.853 3.945 1.00 2.71 C ATOM 758 C GLY A 77 0.003 9.557 4.264 1.00 1.94 C ATOM 759 O GLY A 77 -0.685 10.038 3.360 1.00 2.44 O ATOM 0 H GLY A 77 0.425 7.027 3.406 1.00 3.20 H new ATOM 0 HA2 GLY A 77 2.070 9.175 4.641 1.00 2.71 H new ATOM 0 HA3 GLY A 77 1.628 9.133 2.945 1.00 2.71 H new ATOM 763 N LYS A 78 -0.329 9.599 5.553 1.00 1.39 N ATOM 764 CA LYS A 78 -1.597 10.149 6.020 1.00 1.29 C ATOM 765 C LYS A 78 -2.763 9.362 5.435 1.00 1.03 C ATOM 766 O LYS A 78 -3.839 9.902 5.227 1.00 1.02 O ATOM 767 CB LYS A 78 -1.717 11.637 5.669 1.00 2.10 C ATOM 768 CG LYS A 78 -0.789 12.529 6.477 1.00 2.61 C ATOM 769 CD LYS A 78 -0.901 13.982 6.047 1.00 3.18 C ATOM 770 CE LYS A 78 -0.054 14.894 6.923 1.00 3.78 C ATOM 771 NZ LYS A 78 -0.580 14.979 8.313 1.00 4.14 N ATOM 0 H LYS A 78 0.273 9.253 6.300 1.00 1.39 H new ATOM 0 HA LYS A 78 -1.627 10.060 7.106 1.00 1.29 H new ATOM 0 HB2 LYS A 78 -1.503 11.770 4.609 1.00 2.10 H new ATOM 0 HB3 LYS A 78 -2.746 11.958 5.829 1.00 2.10 H new ATOM 0 HG2 LYS A 78 -1.030 12.442 7.536 1.00 2.61 H new ATOM 0 HG3 LYS A 78 0.240 12.191 6.356 1.00 2.61 H new ATOM 0 HD2 LYS A 78 -0.586 14.080 5.008 1.00 3.18 H new ATOM 0 HD3 LYS A 78 -1.944 14.297 6.095 1.00 3.18 H new ATOM 0 HE2 LYS A 78 0.971 14.525 6.945 1.00 3.78 H new ATOM 0 HE3 LYS A 78 -0.024 15.892 6.485 1.00 3.78 H new ATOM 0 HZ1 LYS A 78 -0.094 15.745 8.822 1.00 4.14 H new ATOM 0 HZ2 LYS A 78 -1.601 15.175 8.286 1.00 4.14 H new ATOM 0 HZ3 LYS A 78 -0.413 14.077 8.803 1.00 4.14 H new ATOM 785 N PHE A 79 -2.544 8.064 5.226 1.00 0.95 N ATOM 786 CA PHE A 79 -3.541 7.176 4.620 1.00 0.77 C ATOM 787 C PHE A 79 -4.904 7.307 5.306 1.00 0.70 C ATOM 788 O PHE A 79 -5.953 7.192 4.644 1.00 0.64 O ATOM 789 CB PHE A 79 -3.050 5.725 4.697 1.00 0.88 C ATOM 790 CG PHE A 79 -3.962 4.719 4.050 1.00 0.79 C ATOM 791 CD1 PHE A 79 -4.948 4.088 4.787 1.00 0.86 C ATOM 792 CD2 PHE A 79 -3.841 4.416 2.701 1.00 0.78 C ATOM 793 CE1 PHE A 79 -5.795 3.171 4.198 1.00 0.85 C ATOM 794 CE2 PHE A 79 -4.685 3.499 2.105 1.00 0.84 C ATOM 795 CZ PHE A 79 -5.627 2.845 2.853 1.00 0.82 C ATOM 0 H PHE A 79 -1.671 7.597 5.471 1.00 0.95 H new ATOM 0 HA PHE A 79 -3.667 7.468 3.577 1.00 0.77 H new ATOM 0 HB2 PHE A 79 -2.069 5.662 4.226 1.00 0.88 H new ATOM 0 HB3 PHE A 79 -2.918 5.455 5.745 1.00 0.88 H new ATOM 0 HD1 PHE A 79 -5.057 4.316 5.837 1.00 0.86 H new ATOM 0 HD2 PHE A 79 -3.079 4.902 2.111 1.00 0.78 H new ATOM 0 HE1 PHE A 79 -6.582 2.709 4.775 1.00 0.85 H new ATOM 0 HE2 PHE A 79 -4.602 3.298 1.047 1.00 0.84 H new ATOM 0 HZ PHE A 79 -6.239 2.078 2.402 1.00 0.82 H new ATOM 805 N LYS A 80 -4.876 7.592 6.619 1.00 0.82 N ATOM 806 CA LYS A 80 -6.100 7.674 7.411 1.00 0.89 C ATOM 807 C LYS A 80 -6.895 8.912 7.003 1.00 0.81 C ATOM 808 O LYS A 80 -8.127 8.905 6.990 1.00 0.87 O ATOM 809 CB LYS A 80 -5.763 7.721 8.908 1.00 1.12 C ATOM 810 CG LYS A 80 -6.682 6.873 9.781 1.00 1.66 C ATOM 811 CD LYS A 80 -8.121 7.352 9.734 1.00 2.17 C ATOM 812 CE LYS A 80 -9.022 6.473 10.580 1.00 2.87 C ATOM 813 NZ LYS A 80 -10.444 6.897 10.502 1.00 3.48 N ATOM 0 H LYS A 80 -4.020 7.768 7.146 1.00 0.82 H new ATOM 0 HA LYS A 80 -6.706 6.788 7.224 1.00 0.89 H new ATOM 0 HB2 LYS A 80 -4.735 7.386 9.049 1.00 1.12 H new ATOM 0 HB3 LYS A 80 -5.810 8.756 9.248 1.00 1.12 H new ATOM 0 HG2 LYS A 80 -6.636 5.835 9.453 1.00 1.66 H new ATOM 0 HG3 LYS A 80 -6.326 6.898 10.811 1.00 1.66 H new ATOM 0 HD2 LYS A 80 -8.176 8.381 10.089 1.00 2.17 H new ATOM 0 HD3 LYS A 80 -8.473 7.352 8.702 1.00 2.17 H new ATOM 0 HE2 LYS A 80 -8.933 5.438 10.249 1.00 2.87 H new ATOM 0 HE3 LYS A 80 -8.690 6.506 11.618 1.00 2.87 H new ATOM 0 HZ1 LYS A 80 -11.026 6.271 11.094 1.00 3.48 H new ATOM 0 HZ2 LYS A 80 -10.533 7.876 10.841 1.00 3.48 H new ATOM 0 HZ3 LYS A 80 -10.769 6.842 9.516 1.00 3.48 H new ATOM 827 N GLU A 81 -6.173 9.964 6.648 1.00 0.78 N ATOM 828 CA GLU A 81 -6.779 11.193 6.170 1.00 0.78 C ATOM 829 C GLU A 81 -7.062 11.065 4.679 1.00 0.62 C ATOM 830 O GLU A 81 -8.037 11.605 4.169 1.00 0.64 O ATOM 831 CB GLU A 81 -5.843 12.376 6.437 1.00 0.96 C ATOM 832 CG GLU A 81 -6.410 13.719 6.013 1.00 1.53 C ATOM 833 CD GLU A 81 -5.445 14.862 6.251 1.00 2.31 C ATOM 834 OE1 GLU A 81 -4.882 15.383 5.262 1.00 3.07 O ATOM 835 OE2 GLU A 81 -5.232 15.232 7.422 1.00 2.63 O ATOM 0 H GLU A 81 -5.154 9.988 6.684 1.00 0.78 H new ATOM 0 HA GLU A 81 -7.716 11.369 6.698 1.00 0.78 H new ATOM 0 HB2 GLU A 81 -5.612 12.410 7.502 1.00 0.96 H new ATOM 0 HB3 GLU A 81 -4.903 12.208 5.912 1.00 0.96 H new ATOM 0 HG2 GLU A 81 -6.669 13.682 4.955 1.00 1.53 H new ATOM 0 HG3 GLU A 81 -7.333 13.908 6.561 1.00 1.53 H new ATOM 842 N GLY A 82 -6.213 10.299 4.002 1.00 0.55 N ATOM 843 CA GLY A 82 -6.327 10.080 2.587 1.00 0.47 C ATOM 844 C GLY A 82 -7.691 9.567 2.204 1.00 0.46 C ATOM 845 O GLY A 82 -8.284 9.991 1.208 1.00 0.49 O ATOM 0 H GLY A 82 -5.426 9.815 4.434 1.00 0.55 H new ATOM 0 HA2 GLY A 82 -6.129 11.012 2.059 1.00 0.47 H new ATOM 0 HA3 GLY A 82 -5.568 9.365 2.268 1.00 0.47 H new ATOM 849 N VAL A 83 -8.185 8.662 3.029 1.00 0.51 N ATOM 850 CA VAL A 83 -9.472 8.027 2.810 1.00 0.61 C ATOM 851 C VAL A 83 -10.605 9.043 2.909 1.00 0.70 C ATOM 852 O VAL A 83 -11.395 9.198 1.978 1.00 0.79 O ATOM 853 CB VAL A 83 -9.677 7.063 3.697 1.00 0.70 C ATOM 854 CG1 VAL A 83 -11.047 6.414 3.504 1.00 0.85 C ATOM 855 CG2 VAL A 83 -8.583 6.011 3.625 1.00 0.69 C ATOM 0 H VAL A 83 -7.704 8.346 3.871 1.00 0.51 H new ATOM 0 HA VAL A 83 -9.460 7.600 1.807 1.00 0.61 H new ATOM 0 HB VAL A 83 -9.651 7.521 4.686 1.00 0.70 H new ATOM 0 HG11 VAL A 83 -11.185 5.628 4.246 1.00 0.85 H new ATOM 0 HG12 VAL A 83 -11.826 7.167 3.624 1.00 0.85 H new ATOM 0 HG13 VAL A 83 -11.108 5.984 2.504 1.00 0.85 H new ATOM 0 HG21 VAL A 83 -8.777 5.233 4.363 1.00 0.69 H new ATOM 0 HG22 VAL A 83 -8.568 5.570 2.628 1.00 0.69 H new ATOM 0 HG23 VAL A 83 -7.618 6.475 3.831 1.00 0.69 H new ATOM 865 N ALA A 84 -10.642 9.769 4.014 1.00 0.76 N ATOM 866 CA ALA A 84 -11.783 10.613 4.320 1.00 0.94 C ATOM 867 C ALA A 84 -11.677 11.964 3.642 1.00 0.88 C ATOM 868 O ALA A 84 -12.686 12.595 3.340 1.00 1.07 O ATOM 869 CB ALA A 84 -11.934 10.772 5.824 1.00 1.12 C ATOM 0 H ALA A 84 -9.898 9.791 4.711 1.00 0.76 H new ATOM 0 HA ALA A 84 -12.675 10.124 3.929 1.00 0.94 H new ATOM 0 HB1 ALA A 84 -12.793 11.407 6.038 1.00 1.12 H new ATOM 0 HB2 ALA A 84 -12.083 9.793 6.280 1.00 1.12 H new ATOM 0 HB3 ALA A 84 -11.034 11.230 6.234 1.00 1.12 H new ATOM 875 N SER A 85 -10.459 12.407 3.394 1.00 0.76 N ATOM 876 CA SER A 85 -10.253 13.641 2.655 1.00 0.84 C ATOM 877 C SER A 85 -10.733 13.447 1.220 1.00 0.94 C ATOM 878 O SER A 85 -11.150 14.392 0.551 1.00 1.22 O ATOM 879 CB SER A 85 -8.777 14.056 2.693 1.00 1.19 C ATOM 880 OG SER A 85 -8.592 15.377 2.211 1.00 1.88 O ATOM 0 H SER A 85 -9.603 11.937 3.690 1.00 0.76 H new ATOM 0 HA SER A 85 -10.828 14.443 3.118 1.00 0.84 H new ATOM 0 HB2 SER A 85 -8.405 13.986 3.715 1.00 1.19 H new ATOM 0 HB3 SER A 85 -8.188 13.363 2.092 1.00 1.19 H new ATOM 0 HG SER A 85 -7.641 15.609 2.250 1.00 1.88 H new ATOM 886 N GLY A 86 -10.689 12.198 0.761 1.00 0.96 N ATOM 887 CA GLY A 86 -11.209 11.867 -0.548 1.00 1.46 C ATOM 888 C GLY A 86 -10.257 12.238 -1.657 1.00 1.21 C ATOM 889 O GLY A 86 -10.683 12.550 -2.769 1.00 1.66 O ATOM 0 H GLY A 86 -10.300 11.409 1.278 1.00 0.96 H new ATOM 0 HA2 GLY A 86 -11.416 10.798 -0.594 1.00 1.46 H new ATOM 0 HA3 GLY A 86 -12.157 12.382 -0.700 1.00 1.46 H new ATOM 893 N ASN A 87 -8.969 12.216 -1.356 1.00 0.66 N ATOM 894 CA ASN A 87 -7.951 12.555 -2.351 1.00 0.67 C ATOM 895 C ASN A 87 -6.604 11.950 -1.998 1.00 0.52 C ATOM 896 O ASN A 87 -5.570 12.613 -2.037 1.00 0.72 O ATOM 897 CB ASN A 87 -7.827 14.079 -2.530 1.00 0.95 C ATOM 898 CG ASN A 87 -7.513 14.818 -1.239 1.00 1.40 C ATOM 899 OD1 ASN A 87 -6.352 15.009 -0.876 1.00 2.08 O ATOM 900 ND2 ASN A 87 -8.547 15.263 -0.548 1.00 1.72 N ATOM 0 H ASN A 87 -8.600 11.969 -0.438 1.00 0.66 H new ATOM 0 HA ASN A 87 -8.275 12.126 -3.299 1.00 0.67 H new ATOM 0 HB2 ASN A 87 -7.044 14.289 -3.259 1.00 0.95 H new ATOM 0 HB3 ASN A 87 -8.759 14.465 -2.943 1.00 0.95 H new ATOM 0 HD21 ASN A 87 -8.397 15.783 0.316 1.00 1.72 H new ATOM 0 HD22 ASN A 87 -9.496 15.086 -0.879 1.00 1.72 H new ATOM 907 N LEU A 88 -6.624 10.673 -1.684 1.00 0.40 N ATOM 908 CA LEU A 88 -5.411 9.961 -1.352 1.00 0.32 C ATOM 909 C LEU A 88 -4.587 9.675 -2.591 1.00 0.30 C ATOM 910 O LEU A 88 -4.635 8.575 -3.138 1.00 0.34 O ATOM 911 CB LEU A 88 -5.734 8.658 -0.652 1.00 0.37 C ATOM 912 CG LEU A 88 -4.783 8.324 0.467 1.00 0.42 C ATOM 913 CD1 LEU A 88 -5.285 7.136 1.266 1.00 0.56 C ATOM 914 CD2 LEU A 88 -3.378 8.058 -0.049 1.00 0.48 C ATOM 0 H LEU A 88 -7.471 10.105 -1.652 1.00 0.40 H new ATOM 0 HA LEU A 88 -4.830 10.597 -0.684 1.00 0.32 H new ATOM 0 HB2 LEU A 88 -6.747 8.711 -0.253 1.00 0.37 H new ATOM 0 HB3 LEU A 88 -5.721 7.849 -1.383 1.00 0.37 H new ATOM 0 HG LEU A 88 -4.738 9.193 1.123 1.00 0.42 H new ATOM 0 HD11 LEU A 88 -4.582 6.914 2.068 1.00 0.56 H new ATOM 0 HD12 LEU A 88 -6.260 7.371 1.693 1.00 0.56 H new ATOM 0 HD13 LEU A 88 -5.375 6.269 0.612 1.00 0.56 H new ATOM 0 HD21 LEU A 88 -2.722 7.821 0.788 1.00 0.48 H new ATOM 0 HD22 LEU A 88 -3.398 7.218 -0.743 1.00 0.48 H new ATOM 0 HD23 LEU A 88 -3.005 8.944 -0.562 1.00 0.48 H new ATOM 926 N ASN A 89 -3.864 10.668 -3.046 1.00 0.32 N ATOM 927 CA ASN A 89 -2.966 10.488 -4.164 1.00 0.34 C ATOM 928 C ASN A 89 -1.710 11.339 -3.954 1.00 0.40 C ATOM 929 O ASN A 89 -1.729 12.559 -4.103 1.00 0.50 O ATOM 930 CB ASN A 89 -3.700 10.802 -5.490 1.00 0.41 C ATOM 931 CG ASN A 89 -3.950 12.282 -5.741 1.00 1.12 C ATOM 932 OD1 ASN A 89 -4.934 12.852 -5.268 1.00 2.01 O ATOM 933 ND2 ASN A 89 -3.077 12.903 -6.521 1.00 1.62 N ATOM 0 H ASN A 89 -3.879 11.612 -2.660 1.00 0.32 H new ATOM 0 HA ASN A 89 -2.642 9.449 -4.227 1.00 0.34 H new ATOM 0 HB2 ASN A 89 -3.115 10.400 -6.318 1.00 0.41 H new ATOM 0 HB3 ASN A 89 -4.657 10.280 -5.493 1.00 0.41 H new ATOM 0 HD21 ASN A 89 -3.208 13.889 -6.749 1.00 1.62 H new ATOM 0 HD22 ASN A 89 -2.274 12.395 -6.893 1.00 1.62 H new ATOM 940 N THR A 90 -0.625 10.702 -3.517 1.00 0.39 N ATOM 941 CA THR A 90 0.616 11.421 -3.281 1.00 0.50 C ATOM 942 C THR A 90 1.815 10.529 -3.577 1.00 0.55 C ATOM 943 O THR A 90 1.732 9.306 -3.464 1.00 0.69 O ATOM 944 CB THR A 90 0.703 11.856 -2.023 1.00 0.68 C ATOM 945 OG1 THR A 90 -0.566 12.373 -1.578 1.00 1.67 O ATOM 946 CG2 THR A 90 1.757 12.947 -1.877 1.00 1.22 C ATOM 0 H THR A 90 -0.584 9.702 -3.322 1.00 0.39 H new ATOM 0 HA THR A 90 0.618 12.281 -3.950 1.00 0.50 H new ATOM 0 HB THR A 90 0.993 11.003 -1.410 1.00 0.68 H new ATOM 0 HG1 THR A 90 -0.485 12.686 -0.653 1.00 1.67 H new ATOM 0 HG21 THR A 90 1.799 13.276 -0.839 1.00 1.22 H new ATOM 0 HG22 THR A 90 2.730 12.555 -2.173 1.00 1.22 H new ATOM 0 HG23 THR A 90 1.497 13.792 -2.515 1.00 1.22 H new ATOM 954 N MET A 91 2.892 11.141 -4.044 1.00 0.72 N ATOM 955 CA MET A 91 4.170 10.469 -4.166 1.00 1.00 C ATOM 956 C MET A 91 5.123 11.025 -3.125 1.00 0.88 C ATOM 957 O MET A 91 5.470 12.205 -3.152 1.00 0.92 O ATOM 958 CB MET A 91 4.765 10.618 -5.575 1.00 1.53 C ATOM 959 CG MET A 91 4.720 12.034 -6.144 1.00 2.33 C ATOM 960 SD MET A 91 3.052 12.557 -6.593 1.00 3.24 S ATOM 961 CE MET A 91 3.359 14.217 -7.182 1.00 3.94 C ATOM 0 H MET A 91 2.902 12.115 -4.348 1.00 0.72 H new ATOM 0 HA MET A 91 4.017 9.403 -3.998 1.00 1.00 H new ATOM 0 HB2 MET A 91 5.802 10.283 -5.553 1.00 1.53 H new ATOM 0 HB3 MET A 91 4.230 9.953 -6.252 1.00 1.53 H new ATOM 0 HG2 MET A 91 5.128 12.729 -5.410 1.00 2.33 H new ATOM 0 HG3 MET A 91 5.361 12.087 -7.024 1.00 2.33 H new ATOM 0 HE1 MET A 91 2.419 14.671 -7.496 1.00 3.94 H new ATOM 0 HE2 MET A 91 3.800 14.811 -6.382 1.00 3.94 H new ATOM 0 HE3 MET A 91 4.045 14.182 -8.028 1.00 3.94 H new ATOM 971 N PHE A 92 5.524 10.175 -2.203 1.00 0.98 N ATOM 972 CA PHE A 92 6.384 10.585 -1.109 1.00 1.01 C ATOM 973 C PHE A 92 7.536 9.605 -0.959 1.00 0.90 C ATOM 974 O PHE A 92 7.320 8.397 -0.862 1.00 0.85 O ATOM 975 CB PHE A 92 5.574 10.657 0.192 1.00 1.24 C ATOM 976 CG PHE A 92 6.370 11.088 1.394 1.00 1.49 C ATOM 977 CD1 PHE A 92 6.602 12.432 1.646 1.00 1.94 C ATOM 978 CD2 PHE A 92 6.888 10.148 2.271 1.00 1.58 C ATOM 979 CE1 PHE A 92 7.336 12.827 2.748 1.00 2.47 C ATOM 980 CE2 PHE A 92 7.623 10.539 3.373 1.00 2.01 C ATOM 981 CZ PHE A 92 7.833 11.887 3.619 1.00 2.46 C ATOM 0 H PHE A 92 5.267 9.188 -2.189 1.00 0.98 H new ATOM 0 HA PHE A 92 6.791 11.573 -1.325 1.00 1.01 H new ATOM 0 HB2 PHE A 92 4.745 11.351 0.052 1.00 1.24 H new ATOM 0 HB3 PHE A 92 5.140 9.677 0.391 1.00 1.24 H new ATOM 0 HD1 PHE A 92 6.205 13.178 0.974 1.00 1.94 H new ATOM 0 HD2 PHE A 92 6.715 9.097 2.090 1.00 1.58 H new ATOM 0 HE1 PHE A 92 7.520 13.876 2.925 1.00 2.47 H new ATOM 0 HE2 PHE A 92 8.033 9.796 4.041 1.00 2.01 H new ATOM 0 HZ PHE A 92 8.386 12.198 4.493 1.00 2.46 H new ATOM 991 N GLU A 93 8.754 10.119 -0.955 1.00 0.98 N ATOM 992 CA GLU A 93 9.920 9.283 -0.748 1.00 0.97 C ATOM 993 C GLU A 93 10.339 9.350 0.711 1.00 1.21 C ATOM 994 O GLU A 93 10.441 10.442 1.290 1.00 1.50 O ATOM 995 CB GLU A 93 11.076 9.710 -1.667 1.00 1.18 C ATOM 996 CG GLU A 93 11.467 11.173 -1.536 1.00 1.33 C ATOM 997 CD GLU A 93 12.674 11.533 -2.377 1.00 1.57 C ATOM 998 OE1 GLU A 93 13.802 11.551 -1.839 1.00 1.97 O ATOM 999 OE2 GLU A 93 12.503 11.801 -3.582 1.00 1.92 O ATOM 0 H GLU A 93 8.959 11.109 -1.092 1.00 0.98 H new ATOM 0 HA GLU A 93 9.664 8.254 -1.000 1.00 0.97 H new ATOM 0 HB2 GLU A 93 11.947 9.092 -1.448 1.00 1.18 H new ATOM 0 HB3 GLU A 93 10.796 9.511 -2.701 1.00 1.18 H new ATOM 0 HG2 GLU A 93 10.624 11.798 -1.831 1.00 1.33 H new ATOM 0 HG3 GLU A 93 11.678 11.396 -0.490 1.00 1.33 H new ATOM 1006 N TYR A 94 10.549 8.187 1.312 1.00 1.23 N ATOM 1007 CA TYR A 94 10.939 8.119 2.705 1.00 1.60 C ATOM 1008 C TYR A 94 12.296 7.446 2.823 1.00 1.67 C ATOM 1009 O TYR A 94 12.453 6.271 2.478 1.00 1.62 O ATOM 1010 CB TYR A 94 9.891 7.356 3.517 1.00 1.88 C ATOM 1011 CG TYR A 94 10.035 7.521 5.016 1.00 2.23 C ATOM 1012 CD1 TYR A 94 10.946 6.753 5.732 1.00 2.63 C ATOM 1013 CD2 TYR A 94 9.263 8.440 5.715 1.00 2.62 C ATOM 1014 CE1 TYR A 94 11.086 6.898 7.099 1.00 3.18 C ATOM 1015 CE2 TYR A 94 9.397 8.591 7.082 1.00 3.33 C ATOM 1016 CZ TYR A 94 10.294 7.829 7.769 1.00 3.51 C ATOM 1017 OH TYR A 94 10.438 7.969 9.131 1.00 4.29 O ATOM 0 H TYR A 94 10.455 7.281 0.853 1.00 1.23 H new ATOM 0 HA TYR A 94 11.008 9.131 3.105 1.00 1.60 H new ATOM 0 HB2 TYR A 94 8.898 7.693 3.218 1.00 1.88 H new ATOM 0 HB3 TYR A 94 9.956 6.296 3.270 1.00 1.88 H new ATOM 0 HD1 TYR A 94 11.555 6.030 5.210 1.00 2.63 H new ATOM 0 HD2 TYR A 94 8.546 9.047 5.181 1.00 2.62 H new ATOM 0 HE1 TYR A 94 11.801 6.297 7.642 1.00 3.18 H new ATOM 0 HE2 TYR A 94 8.790 9.314 7.607 1.00 3.33 H new ATOM 0 HH TYR A 94 9.820 8.656 9.456 1.00 4.29 H new ATOM 1027 N THR A 95 13.279 8.197 3.286 1.00 1.95 N ATOM 1028 CA THR A 95 14.614 7.669 3.457 1.00 2.19 C ATOM 1029 C THR A 95 14.781 7.102 4.862 1.00 2.45 C ATOM 1030 O THR A 95 14.295 7.680 5.834 1.00 2.63 O ATOM 1031 CB THR A 95 15.522 8.604 3.250 1.00 2.45 C ATOM 1032 OG1 THR A 95 15.152 9.389 2.105 1.00 2.89 O ATOM 1033 CG2 THR A 95 16.905 8.006 3.033 1.00 2.83 C ATOM 0 H THR A 95 13.174 9.177 3.550 1.00 1.95 H new ATOM 0 HA THR A 95 14.756 6.874 2.725 1.00 2.19 H new ATOM 0 HB THR A 95 15.564 9.234 4.138 1.00 2.45 H new ATOM 0 HG1 THR A 95 15.826 10.084 1.953 1.00 2.89 H new ATOM 0 HG21 THR A 95 17.625 8.807 2.866 1.00 2.83 H new ATOM 0 HG22 THR A 95 17.196 7.434 3.914 1.00 2.83 H new ATOM 0 HG23 THR A 95 16.885 7.349 2.164 1.00 2.83 H new ATOM 1041 N PHE A 96 15.409 5.942 4.962 1.00 2.62 N ATOM 1042 CA PHE A 96 15.683 5.345 6.254 1.00 3.02 C ATOM 1043 C PHE A 96 17.154 5.499 6.589 1.00 3.39 C ATOM 1044 O PHE A 96 17.985 4.700 6.159 1.00 3.84 O ATOM 1045 CB PHE A 96 15.291 3.868 6.268 1.00 3.29 C ATOM 1046 CG PHE A 96 13.827 3.621 6.054 1.00 3.71 C ATOM 1047 CD1 PHE A 96 12.946 3.630 7.122 1.00 4.45 C ATOM 1048 CD2 PHE A 96 13.336 3.368 4.787 1.00 3.78 C ATOM 1049 CE1 PHE A 96 11.599 3.391 6.928 1.00 5.24 C ATOM 1050 CE2 PHE A 96 11.992 3.130 4.583 1.00 4.50 C ATOM 1051 CZ PHE A 96 11.122 3.141 5.655 1.00 5.25 C ATOM 0 H PHE A 96 15.737 5.398 4.164 1.00 2.62 H new ATOM 0 HA PHE A 96 15.086 5.861 7.007 1.00 3.02 H new ATOM 0 HB2 PHE A 96 15.854 3.346 5.494 1.00 3.29 H new ATOM 0 HB3 PHE A 96 15.586 3.434 7.223 1.00 3.29 H new ATOM 0 HD1 PHE A 96 13.316 3.826 8.118 1.00 4.45 H new ATOM 0 HD2 PHE A 96 14.013 3.356 3.946 1.00 3.78 H new ATOM 0 HE1 PHE A 96 10.921 3.400 7.769 1.00 5.24 H new ATOM 0 HE2 PHE A 96 11.622 2.936 3.587 1.00 4.50 H new ATOM 0 HZ PHE A 96 10.070 2.954 5.499 1.00 5.25 H new ATOM 1061 N ASP A 97 17.472 6.545 7.336 1.00 3.71 N ATOM 1062 CA ASP A 97 18.851 6.831 7.710 1.00 4.37 C ATOM 1063 C ASP A 97 19.172 6.229 9.075 1.00 4.59 C ATOM 1064 O ASP A 97 20.035 6.719 9.803 1.00 4.90 O ATOM 1065 CB ASP A 97 19.110 8.347 7.707 1.00 5.00 C ATOM 1066 CG ASP A 97 18.299 9.108 8.742 1.00 5.62 C ATOM 1067 OD1 ASP A 97 18.867 9.498 9.785 1.00 5.98 O ATOM 1068 OD2 ASP A 97 17.079 9.285 8.538 1.00 6.06 O ATOM 0 H ASP A 97 16.791 7.213 7.697 1.00 3.71 H new ATOM 0 HA ASP A 97 19.510 6.373 6.972 1.00 4.37 H new ATOM 0 HB2 ASP A 97 20.170 8.526 7.886 1.00 5.00 H new ATOM 0 HB3 ASP A 97 18.883 8.743 6.717 1.00 5.00 H new ATOM 1073 N TYR A 98 18.476 5.150 9.406 1.00 4.86 N ATOM 1074 CA TYR A 98 18.707 4.435 10.651 1.00 5.39 C ATOM 1075 C TYR A 98 19.559 3.198 10.397 1.00 5.39 C ATOM 1076 O TYR A 98 20.158 3.057 9.332 1.00 5.65 O ATOM 1077 CB TYR A 98 17.381 4.037 11.301 1.00 6.08 C ATOM 1078 CG TYR A 98 16.555 5.207 11.772 1.00 6.83 C ATOM 1079 CD1 TYR A 98 16.869 5.879 12.946 1.00 7.42 C ATOM 1080 CD2 TYR A 98 15.464 5.644 11.037 1.00 7.24 C ATOM 1081 CE1 TYR A 98 16.117 6.955 13.371 1.00 8.35 C ATOM 1082 CE2 TYR A 98 14.706 6.716 11.456 1.00 8.16 C ATOM 1083 CZ TYR A 98 15.036 7.353 12.658 1.00 8.70 C ATOM 1084 OH TYR A 98 14.285 8.442 13.036 1.00 9.77 O ATOM 0 H TYR A 98 17.741 4.749 8.823 1.00 4.86 H new ATOM 0 HA TYR A 98 19.239 5.098 11.333 1.00 5.39 H new ATOM 0 HB2 TYR A 98 16.797 3.457 10.586 1.00 6.08 H new ATOM 0 HB3 TYR A 98 17.585 3.384 12.150 1.00 6.08 H new ATOM 0 HD1 TYR A 98 17.714 5.555 13.535 1.00 7.42 H new ATOM 0 HD2 TYR A 98 15.204 5.136 10.120 1.00 7.24 H new ATOM 0 HE1 TYR A 98 16.391 7.481 14.274 1.00 8.35 H new ATOM 0 HE2 TYR A 98 13.870 7.060 10.866 1.00 8.16 H new ATOM 0 HH TYR A 98 13.552 8.571 12.399 1.00 9.77 H new ATOM 1094 N GLN A 99 19.618 2.310 11.378 1.00 5.51 N ATOM 1095 CA GLN A 99 20.446 1.117 11.273 1.00 5.83 C ATOM 1096 C GLN A 99 19.608 -0.080 10.822 1.00 5.62 C ATOM 1097 O GLN A 99 19.875 -0.676 9.781 1.00 5.86 O ATOM 1098 CB GLN A 99 21.115 0.839 12.626 1.00 6.51 C ATOM 1099 CG GLN A 99 22.385 -0.002 12.552 1.00 7.10 C ATOM 1100 CD GLN A 99 22.124 -1.479 12.326 1.00 7.79 C ATOM 1101 OE1 GLN A 99 22.071 -1.949 11.191 1.00 8.08 O ATOM 1102 NE2 GLN A 99 21.956 -2.220 13.409 1.00 8.34 N ATOM 0 H GLN A 99 19.103 2.392 12.255 1.00 5.51 H new ATOM 0 HA GLN A 99 21.220 1.281 10.524 1.00 5.83 H new ATOM 0 HB2 GLN A 99 21.354 1.791 13.099 1.00 6.51 H new ATOM 0 HB3 GLN A 99 20.398 0.333 13.272 1.00 6.51 H new ATOM 0 HG2 GLN A 99 23.014 0.375 11.745 1.00 7.10 H new ATOM 0 HG3 GLN A 99 22.947 0.121 13.478 1.00 7.10 H new ATOM 0 HE21 GLN A 99 22.008 -1.791 14.333 1.00 8.34 H new ATOM 0 HE22 GLN A 99 21.775 -3.220 13.320 1.00 8.34 H new ATOM 1111 N MET A 100 18.576 -0.405 11.592 1.00 5.51 N ATOM 1112 CA MET A 100 17.769 -1.599 11.332 1.00 5.61 C ATOM 1113 C MET A 100 16.521 -1.270 10.517 1.00 5.03 C ATOM 1114 O MET A 100 15.479 -1.899 10.682 1.00 5.20 O ATOM 1115 CB MET A 100 17.360 -2.258 12.653 1.00 6.33 C ATOM 1116 CG MET A 100 18.526 -2.845 13.428 1.00 6.86 C ATOM 1117 SD MET A 100 19.353 -4.179 12.536 1.00 7.54 S ATOM 1118 CE MET A 100 18.039 -5.394 12.449 1.00 8.19 C ATOM 0 H MET A 100 18.276 0.139 12.401 1.00 5.51 H new ATOM 0 HA MET A 100 18.381 -2.289 10.751 1.00 5.61 H new ATOM 0 HB2 MET A 100 16.856 -1.520 13.276 1.00 6.33 H new ATOM 0 HB3 MET A 100 16.638 -3.048 12.447 1.00 6.33 H new ATOM 0 HG2 MET A 100 19.247 -2.057 13.645 1.00 6.86 H new ATOM 0 HG3 MET A 100 18.168 -3.221 14.386 1.00 6.86 H new ATOM 0 HE1 MET A 100 18.465 -6.376 12.242 1.00 8.19 H new ATOM 0 HE2 MET A 100 17.506 -5.422 13.399 1.00 8.19 H new ATOM 0 HE3 MET A 100 17.346 -5.124 11.652 1.00 8.19 H new ATOM 1128 N THR A 101 16.634 -0.295 9.629 1.00 4.63 N ATOM 1129 CA THR A 101 15.506 0.119 8.812 1.00 4.25 C ATOM 1130 C THR A 101 15.588 -0.453 7.392 1.00 3.46 C ATOM 1131 O THR A 101 16.627 -0.984 6.992 1.00 3.35 O ATOM 1132 CB THR A 101 15.439 1.435 8.761 1.00 4.65 C ATOM 1133 OG1 THR A 101 16.762 1.985 8.631 1.00 5.10 O ATOM 1134 CG2 THR A 101 14.756 1.998 9.996 1.00 5.07 C ATOM 0 H THR A 101 17.495 0.224 9.456 1.00 4.63 H new ATOM 0 HA THR A 101 14.603 -0.275 9.279 1.00 4.25 H new ATOM 0 HB THR A 101 14.844 1.715 7.892 1.00 4.65 H new ATOM 0 HG1 THR A 101 17.052 1.922 7.697 1.00 5.10 H new ATOM 0 HG21 THR A 101 14.715 3.085 9.926 1.00 5.07 H new ATOM 0 HG22 THR A 101 13.743 1.601 10.065 1.00 5.07 H new ATOM 0 HG23 THR A 101 15.319 1.713 10.885 1.00 5.07 H new ATOM 1142 N PRO A 102 14.473 -0.412 6.636 1.00 3.42 N ATOM 1143 CA PRO A 102 14.450 -0.829 5.227 1.00 3.17 C ATOM 1144 C PRO A 102 15.174 0.165 4.316 1.00 2.61 C ATOM 1145 O PRO A 102 15.806 1.109 4.787 1.00 2.79 O ATOM 1146 CB PRO A 102 12.953 -0.874 4.878 1.00 3.96 C ATOM 1147 CG PRO A 102 12.231 -0.765 6.180 1.00 4.51 C ATOM 1148 CD PRO A 102 13.140 -0.010 7.098 1.00 4.18 C ATOM 0 HA PRO A 102 14.961 -1.781 5.083 1.00 3.17 H new ATOM 0 HB2 PRO A 102 12.682 -0.056 4.210 1.00 3.96 H new ATOM 0 HB3 PRO A 102 12.698 -1.802 4.365 1.00 3.96 H new ATOM 0 HG2 PRO A 102 11.282 -0.244 6.056 1.00 4.51 H new ATOM 0 HG3 PRO A 102 12.003 -1.752 6.583 1.00 4.51 H new ATOM 0 HD2 PRO A 102 12.992 1.067 7.019 1.00 4.18 H new ATOM 0 HD3 PRO A 102 12.975 -0.278 8.142 1.00 4.18 H new ATOM 1156 N THR A 103 15.078 -0.053 3.012 1.00 2.26 N ATOM 1157 CA THR A 103 15.710 0.830 2.046 1.00 1.91 C ATOM 1158 C THR A 103 14.837 2.028 1.724 1.00 1.65 C ATOM 1159 O THR A 103 13.637 2.027 1.999 1.00 1.74 O ATOM 1160 CB THR A 103 15.986 0.192 0.932 1.00 2.12 C ATOM 1161 OG1 THR A 103 14.827 -0.543 0.495 1.00 2.59 O ATOM 1162 CG2 THR A 103 17.164 -0.747 1.115 1.00 2.29 C ATOM 0 H THR A 103 14.568 -0.834 2.600 1.00 2.26 H new ATOM 0 HA THR A 103 16.635 1.181 2.504 1.00 1.91 H new ATOM 0 HB THR A 103 16.258 0.925 0.173 1.00 2.12 H new ATOM 0 HG1 THR A 103 15.035 -1.017 -0.337 1.00 2.59 H new ATOM 0 HG21 THR A 103 17.369 -1.261 0.176 1.00 2.29 H new ATOM 0 HG22 THR A 103 18.042 -0.175 1.415 1.00 2.29 H new ATOM 0 HG23 THR A 103 16.928 -1.480 1.886 1.00 2.29 H new ATOM 1170 N LYS A 104 15.458 3.059 1.173 1.00 1.52 N ATOM 1171 CA LYS A 104 14.744 4.269 0.785 1.00 1.37 C ATOM 1172 C LYS A 104 13.748 3.972 -0.329 1.00 1.18 C ATOM 1173 O LYS A 104 14.145 3.663 -1.461 1.00 1.26 O ATOM 1174 CB LYS A 104 15.715 5.352 0.312 1.00 1.53 C ATOM 1175 CG LYS A 104 15.014 6.644 -0.080 1.00 1.64 C ATOM 1176 CD LYS A 104 15.935 7.599 -0.817 1.00 2.24 C ATOM 1177 CE LYS A 104 15.221 8.905 -1.118 1.00 2.60 C ATOM 1178 NZ LYS A 104 16.049 9.838 -1.926 1.00 3.12 N ATOM 0 H LYS A 104 16.460 3.083 0.983 1.00 1.52 H new ATOM 0 HA LYS A 104 14.209 4.629 1.664 1.00 1.37 H new ATOM 0 HB2 LYS A 104 16.434 5.560 1.105 1.00 1.53 H new ATOM 0 HB3 LYS A 104 16.281 4.978 -0.541 1.00 1.53 H new ATOM 0 HG2 LYS A 104 14.155 6.412 -0.710 1.00 1.64 H new ATOM 0 HG3 LYS A 104 14.630 7.132 0.816 1.00 1.64 H new ATOM 0 HD2 LYS A 104 16.823 7.794 -0.215 1.00 2.24 H new ATOM 0 HD3 LYS A 104 16.274 7.141 -1.746 1.00 2.24 H new ATOM 0 HE2 LYS A 104 14.294 8.693 -1.651 1.00 2.60 H new ATOM 0 HE3 LYS A 104 14.946 9.388 -0.181 1.00 2.60 H new ATOM 0 HZ1 LYS A 104 15.502 10.699 -2.131 1.00 3.12 H new ATOM 0 HZ2 LYS A 104 16.906 10.091 -1.394 1.00 3.12 H new ATOM 0 HZ3 LYS A 104 16.319 9.378 -2.819 1.00 3.12 H new ATOM 1192 N VAL A 105 12.464 4.069 -0.010 1.00 1.04 N ATOM 1193 CA VAL A 105 11.423 3.828 -0.986 1.00 0.90 C ATOM 1194 C VAL A 105 10.604 5.080 -1.241 1.00 0.72 C ATOM 1195 O VAL A 105 10.641 6.036 -0.464 1.00 0.75 O ATOM 1196 CB VAL A 105 10.611 2.841 -0.636 1.00 1.00 C ATOM 1197 CG1 VAL A 105 11.350 1.507 -0.650 1.00 1.23 C ATOM 1198 CG2 VAL A 105 9.976 3.094 0.726 1.00 1.11 C ATOM 0 H VAL A 105 12.124 4.314 0.920 1.00 1.04 H new ATOM 0 HA VAL A 105 11.937 3.535 -1.901 1.00 0.90 H new ATOM 0 HB VAL A 105 9.806 2.798 -1.370 1.00 1.00 H new ATOM 0 HG11 VAL A 105 10.666 0.709 -0.360 1.00 1.23 H new ATOM 0 HG12 VAL A 105 11.730 1.312 -1.653 1.00 1.23 H new ATOM 0 HG13 VAL A 105 12.182 1.545 0.053 1.00 1.23 H new ATOM 0 HG21 VAL A 105 9.317 2.264 0.980 1.00 1.11 H new ATOM 0 HG22 VAL A 105 10.757 3.181 1.481 1.00 1.11 H new ATOM 0 HG23 VAL A 105 9.399 4.018 0.693 1.00 1.11 H new ATOM 1208 N LYS A 106 9.914 5.082 -2.360 1.00 0.64 N ATOM 1209 CA LYS A 106 9.043 6.181 -2.726 1.00 0.59 C ATOM 1210 C LYS A 106 7.650 5.644 -2.998 1.00 0.53 C ATOM 1211 O LYS A 106 7.477 4.742 -3.814 1.00 0.68 O ATOM 1212 CB LYS A 106 9.596 6.906 -3.956 1.00 0.79 C ATOM 1213 CG LYS A 106 8.832 8.164 -4.333 1.00 1.39 C ATOM 1214 CD LYS A 106 9.527 8.912 -5.459 1.00 1.61 C ATOM 1215 CE LYS A 106 8.828 10.226 -5.767 1.00 2.08 C ATOM 1216 NZ LYS A 106 9.594 11.052 -6.736 1.00 2.36 N ATOM 0 H LYS A 106 9.940 4.324 -3.042 1.00 0.64 H new ATOM 0 HA LYS A 106 8.993 6.898 -1.906 1.00 0.59 H new ATOM 0 HB2 LYS A 106 10.638 7.169 -3.771 1.00 0.79 H new ATOM 0 HB3 LYS A 106 9.586 6.220 -4.803 1.00 0.79 H new ATOM 0 HG2 LYS A 106 7.820 7.900 -4.639 1.00 1.39 H new ATOM 0 HG3 LYS A 106 8.743 8.813 -3.462 1.00 1.39 H new ATOM 0 HD2 LYS A 106 10.564 9.106 -5.184 1.00 1.61 H new ATOM 0 HD3 LYS A 106 9.546 8.290 -6.354 1.00 1.61 H new ATOM 0 HE2 LYS A 106 7.836 10.023 -6.169 1.00 2.08 H new ATOM 0 HE3 LYS A 106 8.689 10.787 -4.843 1.00 2.08 H new ATOM 0 HZ1 LYS A 106 9.082 11.939 -6.918 1.00 2.36 H new ATOM 0 HZ2 LYS A 106 10.532 11.269 -6.342 1.00 2.36 H new ATOM 0 HZ3 LYS A 106 9.705 10.528 -7.627 1.00 2.36 H new ATOM 1230 N VAL A 107 6.666 6.177 -2.295 1.00 0.47 N ATOM 1231 CA VAL A 107 5.305 5.679 -2.406 1.00 0.49 C ATOM 1232 C VAL A 107 4.482 6.593 -3.278 1.00 0.45 C ATOM 1233 O VAL A 107 4.337 7.774 -2.971 1.00 0.74 O ATOM 1234 CB VAL A 107 4.685 5.609 -1.236 1.00 0.60 C ATOM 1235 CG1 VAL A 107 3.556 4.587 -1.298 1.00 0.99 C ATOM 1236 CG2 VAL A 107 5.641 5.297 -0.090 1.00 1.11 C ATOM 0 H VAL A 107 6.783 6.952 -1.643 1.00 0.47 H new ATOM 0 HA VAL A 107 5.391 4.679 -2.831 1.00 0.49 H new ATOM 0 HB VAL A 107 4.262 6.592 -1.031 1.00 0.60 H new ATOM 0 HG11 VAL A 107 3.055 4.539 -0.331 1.00 0.99 H new ATOM 0 HG12 VAL A 107 2.839 4.883 -2.064 1.00 0.99 H new ATOM 0 HG13 VAL A 107 3.965 3.607 -1.543 1.00 0.99 H new ATOM 0 HG21 VAL A 107 5.084 5.251 0.846 1.00 1.11 H new ATOM 0 HG22 VAL A 107 6.126 4.338 -0.272 1.00 1.11 H new ATOM 0 HG23 VAL A 107 6.397 6.079 -0.024 1.00 1.11 H new ATOM 1246 N HIS A 108 3.961 6.075 -4.371 1.00 0.30 N ATOM 1247 CA HIS A 108 2.962 6.807 -5.108 1.00 0.31 C ATOM 1248 C HIS A 108 1.619 6.144 -4.873 1.00 0.28 C ATOM 1249 O HIS A 108 1.327 5.085 -5.419 1.00 0.31 O ATOM 1250 CB HIS A 108 3.280 6.866 -6.608 1.00 0.43 C ATOM 1251 CG HIS A 108 2.502 7.928 -7.333 1.00 0.56 C ATOM 1252 ND1 HIS A 108 3.007 8.646 -8.394 1.00 0.94 N ATOM 1253 CD2 HIS A 108 1.244 8.391 -7.138 1.00 0.71 C ATOM 1254 CE1 HIS A 108 2.096 9.503 -8.815 1.00 1.01 C ATOM 1255 NE2 HIS A 108 1.018 9.369 -8.070 1.00 0.80 N ATOM 0 H HIS A 108 4.209 5.166 -4.761 1.00 0.30 H new ATOM 0 HA HIS A 108 2.945 7.838 -4.754 1.00 0.31 H new ATOM 0 HB2 HIS A 108 4.346 7.050 -6.741 1.00 0.43 H new ATOM 0 HB3 HIS A 108 3.066 5.896 -7.057 1.00 0.43 H new ATOM 0 HD2 HIS A 108 0.547 8.051 -6.386 1.00 0.71 H new ATOM 0 HE1 HIS A 108 2.214 10.198 -9.633 1.00 1.01 H new ATOM 0 HE2 HIS A 108 0.156 9.905 -8.171 1.00 0.80 H new ATOM 1264 N MET A 109 0.817 6.775 -4.048 1.00 0.31 N ATOM 1265 CA MET A 109 -0.518 6.301 -3.762 1.00 0.33 C ATOM 1266 C MET A 109 -1.484 7.059 -4.631 1.00 0.37 C ATOM 1267 O MET A 109 -1.247 8.226 -4.935 1.00 0.55 O ATOM 1268 CB MET A 109 -0.851 6.506 -2.283 1.00 0.43 C ATOM 1269 CG MET A 109 0.014 5.681 -1.342 1.00 0.77 C ATOM 1270 SD MET A 109 -0.200 6.129 0.393 1.00 1.28 S ATOM 1271 CE MET A 109 0.384 7.823 0.379 1.00 2.22 C ATOM 0 H MET A 109 1.071 7.632 -3.556 1.00 0.31 H new ATOM 0 HA MET A 109 -0.589 5.234 -3.973 1.00 0.33 H new ATOM 0 HB2 MET A 109 -0.736 7.562 -2.037 1.00 0.43 H new ATOM 0 HB3 MET A 109 -1.898 6.252 -2.117 1.00 0.43 H new ATOM 0 HG2 MET A 109 -0.225 4.625 -1.470 1.00 0.77 H new ATOM 0 HG3 MET A 109 1.061 5.807 -1.617 1.00 0.77 H new ATOM 0 HE1 MET A 109 1.138 7.954 1.155 1.00 2.22 H new ATOM 0 HE2 MET A 109 0.822 8.049 -0.593 1.00 2.22 H new ATOM 0 HE3 MET A 109 -0.452 8.497 0.566 1.00 2.22 H new ATOM 1281 N LYS A 110 -2.541 6.409 -5.064 1.00 0.27 N ATOM 1282 CA LYS A 110 -3.520 7.075 -5.892 1.00 0.30 C ATOM 1283 C LYS A 110 -4.897 6.529 -5.597 1.00 0.24 C ATOM 1284 O LYS A 110 -5.107 5.319 -5.601 1.00 0.24 O ATOM 1285 CB LYS A 110 -3.197 6.919 -7.387 1.00 0.43 C ATOM 1286 CG LYS A 110 -3.168 5.474 -7.863 1.00 0.64 C ATOM 1287 CD LYS A 110 -3.226 5.362 -9.380 1.00 0.78 C ATOM 1288 CE LYS A 110 -1.969 5.900 -10.043 1.00 1.38 C ATOM 1289 NZ LYS A 110 -1.989 5.682 -11.512 1.00 1.73 N ATOM 0 H LYS A 110 -2.743 5.430 -4.859 1.00 0.27 H new ATOM 0 HA LYS A 110 -3.492 8.139 -5.657 1.00 0.30 H new ATOM 0 HB2 LYS A 110 -3.938 7.468 -7.968 1.00 0.43 H new ATOM 0 HB3 LYS A 110 -2.229 7.378 -7.590 1.00 0.43 H new ATOM 0 HG2 LYS A 110 -2.260 4.993 -7.500 1.00 0.64 H new ATOM 0 HG3 LYS A 110 -4.010 4.934 -7.429 1.00 0.64 H new ATOM 0 HD2 LYS A 110 -3.364 4.318 -9.661 1.00 0.78 H new ATOM 0 HD3 LYS A 110 -4.093 5.909 -9.750 1.00 0.78 H new ATOM 0 HE2 LYS A 110 -1.874 6.966 -9.834 1.00 1.38 H new ATOM 0 HE3 LYS A 110 -1.094 5.412 -9.614 1.00 1.38 H new ATOM 0 HZ1 LYS A 110 -1.116 6.061 -11.931 1.00 1.73 H new ATOM 0 HZ2 LYS A 110 -2.054 4.663 -11.711 1.00 1.73 H new ATOM 0 HZ3 LYS A 110 -2.811 6.168 -11.924 1.00 1.73 H new ATOM 1303 N LYS A 111 -5.819 7.417 -5.302 1.00 0.23 N ATOM 1304 CA LYS A 111 -7.193 7.050 -5.195 1.00 0.22 C ATOM 1305 C LYS A 111 -7.662 6.417 -6.494 1.00 0.22 C ATOM 1306 O LYS A 111 -7.693 7.062 -7.543 1.00 0.29 O ATOM 1307 CB LYS A 111 -7.964 8.309 -4.878 1.00 0.28 C ATOM 1308 CG LYS A 111 -9.466 8.124 -4.779 1.00 0.35 C ATOM 1309 CD LYS A 111 -10.130 9.410 -4.330 1.00 0.53 C ATOM 1310 CE LYS A 111 -11.498 9.146 -3.712 1.00 0.91 C ATOM 1311 NZ LYS A 111 -12.495 8.691 -4.717 1.00 1.78 N ATOM 0 H LYS A 111 -5.629 8.405 -5.132 1.00 0.23 H new ATOM 0 HA LYS A 111 -7.351 6.313 -4.408 1.00 0.22 H new ATOM 0 HB2 LYS A 111 -7.599 8.715 -3.935 1.00 0.28 H new ATOM 0 HB3 LYS A 111 -7.753 9.052 -5.648 1.00 0.28 H new ATOM 0 HG2 LYS A 111 -9.866 7.820 -5.746 1.00 0.35 H new ATOM 0 HG3 LYS A 111 -9.694 7.324 -4.074 1.00 0.35 H new ATOM 0 HD2 LYS A 111 -9.493 9.915 -3.604 1.00 0.53 H new ATOM 0 HD3 LYS A 111 -10.238 10.082 -5.182 1.00 0.53 H new ATOM 0 HE2 LYS A 111 -11.402 8.391 -2.932 1.00 0.91 H new ATOM 0 HE3 LYS A 111 -11.859 10.056 -3.232 1.00 0.91 H new ATOM 0 HZ1 LYS A 111 -13.445 8.998 -4.427 1.00 1.78 H new ATOM 0 HZ2 LYS A 111 -12.266 9.102 -5.644 1.00 1.78 H new ATOM 0 HZ3 LYS A 111 -12.472 7.653 -4.783 1.00 1.78 H new ATOM 1325 N ALA A 112 -7.978 5.131 -6.402 1.00 0.22 N ATOM 1326 CA ALA A 112 -8.336 4.331 -7.551 1.00 0.26 C ATOM 1327 C ALA A 112 -9.477 4.979 -8.315 1.00 0.38 C ATOM 1328 O ALA A 112 -10.430 5.481 -7.715 1.00 0.45 O ATOM 1329 CB ALA A 112 -8.729 2.930 -7.119 1.00 0.33 C ATOM 0 H ALA A 112 -7.991 4.618 -5.521 1.00 0.22 H new ATOM 0 HA ALA A 112 -7.468 4.266 -8.207 1.00 0.26 H new ATOM 0 HB1 ALA A 112 -8.996 2.340 -7.996 1.00 0.33 H new ATOM 0 HB2 ALA A 112 -7.891 2.459 -6.606 1.00 0.33 H new ATOM 0 HB3 ALA A 112 -9.583 2.984 -6.444 1.00 0.33 H new ATOM 1335 N LEU A 113 -9.388 4.951 -9.632 1.00 0.47 N ATOM 1336 CA LEU A 113 -10.391 5.580 -10.479 1.00 0.64 C ATOM 1337 C LEU A 113 -11.726 4.844 -10.382 1.00 0.76 C ATOM 1338 O LEU A 113 -12.743 5.307 -10.901 1.00 0.96 O ATOM 1339 CB LEU A 113 -9.904 5.610 -11.927 1.00 0.76 C ATOM 1340 CG LEU A 113 -8.534 6.263 -12.135 1.00 1.55 C ATOM 1341 CD1 LEU A 113 -8.110 6.160 -13.590 1.00 2.27 C ATOM 1342 CD2 LEU A 113 -8.557 7.719 -11.693 1.00 2.39 C ATOM 0 H LEU A 113 -8.630 4.498 -10.142 1.00 0.47 H new ATOM 0 HA LEU A 113 -10.544 6.602 -10.133 1.00 0.64 H new ATOM 0 HB2 LEU A 113 -9.863 4.587 -12.302 1.00 0.76 H new ATOM 0 HB3 LEU A 113 -10.639 6.142 -12.531 1.00 0.76 H new ATOM 0 HG LEU A 113 -7.807 5.730 -11.522 1.00 1.55 H new ATOM 0 HD11 LEU A 113 -7.135 6.629 -13.719 1.00 2.27 H new ATOM 0 HD12 LEU A 113 -8.049 5.110 -13.878 1.00 2.27 H new ATOM 0 HD13 LEU A 113 -8.842 6.666 -14.219 1.00 2.27 H new ATOM 0 HD21 LEU A 113 -7.574 8.162 -11.850 1.00 2.39 H new ATOM 0 HD22 LEU A 113 -9.298 8.265 -12.277 1.00 2.39 H new ATOM 0 HD23 LEU A 113 -8.815 7.774 -10.636 1.00 2.39 H new ATOM 1354 N SER A 114 -11.710 3.696 -9.717 1.00 0.73 N ATOM 1355 CA SER A 114 -12.918 2.929 -9.471 1.00 0.92 C ATOM 1356 C SER A 114 -13.804 3.639 -8.446 1.00 0.93 C ATOM 1357 O SER A 114 -15.030 3.654 -8.576 1.00 1.27 O ATOM 1358 CB SER A 114 -12.545 1.535 -8.967 1.00 1.04 C ATOM 1359 OG SER A 114 -11.556 0.946 -9.798 1.00 1.66 O ATOM 0 H SER A 114 -10.863 3.275 -9.336 1.00 0.73 H new ATOM 0 HA SER A 114 -13.476 2.839 -10.403 1.00 0.92 H new ATOM 0 HB2 SER A 114 -12.175 1.600 -7.944 1.00 1.04 H new ATOM 0 HB3 SER A 114 -13.432 0.902 -8.945 1.00 1.04 H new ATOM 0 HG SER A 114 -11.330 0.055 -9.457 1.00 1.66 H new ATOM 1365 N GLY A 115 -13.176 4.235 -7.436 1.00 0.71 N ATOM 1366 CA GLY A 115 -13.921 4.933 -6.411 1.00 0.79 C ATOM 1367 C GLY A 115 -13.268 4.842 -5.044 1.00 0.78 C ATOM 1368 O GLY A 115 -12.248 5.487 -4.789 1.00 1.52 O ATOM 0 H GLY A 115 -12.164 4.245 -7.312 1.00 0.71 H new ATOM 0 HA2 GLY A 115 -14.021 5.981 -6.692 1.00 0.79 H new ATOM 0 HA3 GLY A 115 -14.928 4.520 -6.356 1.00 0.79 H new ATOM 1372 N ASP A 116 -13.850 4.028 -4.172 1.00 0.72 N ATOM 1373 CA ASP A 116 -13.398 3.915 -2.784 1.00 0.85 C ATOM 1374 C ASP A 116 -12.305 2.866 -2.623 1.00 0.80 C ATOM 1375 O ASP A 116 -12.486 1.840 -1.962 1.00 1.40 O ATOM 1376 CB ASP A 116 -14.569 3.598 -1.854 1.00 1.25 C ATOM 1377 CG ASP A 116 -15.335 4.835 -1.444 1.00 2.10 C ATOM 1378 OD1 ASP A 116 -15.339 5.162 -0.241 1.00 2.63 O ATOM 1379 OD2 ASP A 116 -15.940 5.490 -2.321 1.00 2.79 O ATOM 0 H ASP A 116 -14.644 3.430 -4.401 1.00 0.72 H new ATOM 0 HA ASP A 116 -12.976 4.881 -2.508 1.00 0.85 H new ATOM 0 HB2 ASP A 116 -15.246 2.904 -2.352 1.00 1.25 H new ATOM 0 HB3 ASP A 116 -14.195 3.094 -0.963 1.00 1.25 H new ATOM 1384 N SER A 117 -11.175 3.142 -3.242 1.00 0.42 N ATOM 1385 CA SER A 117 -9.993 2.308 -3.156 1.00 0.29 C ATOM 1386 C SER A 117 -8.779 3.156 -3.494 1.00 0.22 C ATOM 1387 O SER A 117 -8.915 4.208 -4.113 1.00 0.25 O ATOM 1388 CB SER A 117 -10.120 1.104 -4.083 1.00 0.34 C ATOM 1389 OG SER A 117 -10.826 1.427 -5.271 1.00 0.44 O ATOM 0 H SER A 117 -11.050 3.967 -3.829 1.00 0.42 H new ATOM 0 HA SER A 117 -9.880 1.917 -2.145 1.00 0.29 H new ATOM 0 HB2 SER A 117 -9.127 0.736 -4.339 1.00 0.34 H new ATOM 0 HB3 SER A 117 -10.635 0.297 -3.562 1.00 0.34 H new ATOM 0 HG SER A 117 -10.887 0.633 -5.842 1.00 0.44 H new ATOM 1395 N TYR A 118 -7.608 2.737 -3.055 1.00 0.19 N ATOM 1396 CA TYR A 118 -6.388 3.519 -3.267 1.00 0.19 C ATOM 1397 C TYR A 118 -5.214 2.603 -3.598 1.00 0.20 C ATOM 1398 O TYR A 118 -5.075 1.529 -3.020 1.00 0.25 O ATOM 1399 CB TYR A 118 -6.067 4.364 -2.023 1.00 0.22 C ATOM 1400 CG TYR A 118 -7.248 5.118 -1.486 1.00 0.23 C ATOM 1401 CD1 TYR A 118 -7.987 4.614 -0.436 1.00 0.30 C ATOM 1402 CD2 TYR A 118 -7.606 6.337 -2.022 1.00 0.25 C ATOM 1403 CE1 TYR A 118 -9.060 5.314 0.078 1.00 0.35 C ATOM 1404 CE2 TYR A 118 -8.679 7.046 -1.522 1.00 0.30 C ATOM 1405 CZ TYR A 118 -9.453 6.488 -0.523 1.00 0.34 C ATOM 1406 OH TYR A 118 -10.461 7.234 0.046 1.00 0.42 O ATOM 0 H TYR A 118 -7.467 1.862 -2.549 1.00 0.19 H new ATOM 0 HA TYR A 118 -6.554 4.189 -4.111 1.00 0.19 H new ATOM 0 HB2 TYR A 118 -5.678 3.711 -1.242 1.00 0.22 H new ATOM 0 HB3 TYR A 118 -5.276 5.072 -2.270 1.00 0.22 H new ATOM 0 HD1 TYR A 118 -7.722 3.658 -0.010 1.00 0.30 H new ATOM 0 HD2 TYR A 118 -7.038 6.743 -2.846 1.00 0.25 H new ATOM 0 HE1 TYR A 118 -9.587 4.943 0.945 1.00 0.35 H new ATOM 0 HE2 TYR A 118 -8.911 8.028 -1.908 1.00 0.30 H new ATOM 0 HH TYR A 118 -10.622 8.034 -0.496 1.00 0.42 H new ATOM 1416 N TRP A 119 -4.378 3.021 -4.538 1.00 0.20 N ATOM 1417 CA TRP A 119 -3.241 2.233 -4.943 1.00 0.22 C ATOM 1418 C TRP A 119 -2.002 2.619 -4.166 1.00 0.25 C ATOM 1419 O TRP A 119 -1.926 3.698 -3.579 1.00 0.27 O ATOM 1420 CB TRP A 119 -2.957 2.446 -6.418 1.00 0.25 C ATOM 1421 CG TRP A 119 -4.005 1.926 -7.341 1.00 0.26 C ATOM 1422 CD1 TRP A 119 -5.285 2.377 -7.486 1.00 0.27 C ATOM 1423 CD2 TRP A 119 -3.838 0.870 -8.277 1.00 0.30 C ATOM 1424 NE1 TRP A 119 -5.935 1.627 -8.443 1.00 0.32 N ATOM 1425 CE2 TRP A 119 -5.062 0.698 -8.943 1.00 0.33 C ATOM 1426 CE3 TRP A 119 -2.768 0.048 -8.606 1.00 0.34 C ATOM 1427 CZ2 TRP A 119 -5.241 -0.274 -9.923 1.00 0.40 C ATOM 1428 CZ3 TRP A 119 -2.938 -0.908 -9.572 1.00 0.40 C ATOM 1429 CH2 TRP A 119 -4.167 -1.068 -10.226 1.00 0.42 C ATOM 0 H TRP A 119 -4.474 3.908 -5.032 1.00 0.20 H new ATOM 0 HA TRP A 119 -3.482 1.188 -4.746 1.00 0.22 H new ATOM 0 HB2 TRP A 119 -2.832 3.514 -6.598 1.00 0.25 H new ATOM 0 HB3 TRP A 119 -2.008 1.968 -6.663 1.00 0.25 H new ATOM 0 HD1 TRP A 119 -5.722 3.197 -6.935 1.00 0.27 H new ATOM 0 HE1 TRP A 119 -6.906 1.745 -8.731 1.00 0.32 H new ATOM 0 HE3 TRP A 119 -1.816 0.161 -8.108 1.00 0.34 H new ATOM 0 HZ2 TRP A 119 -6.189 -0.397 -10.425 1.00 0.40 H new ATOM 0 HZ3 TRP A 119 -2.110 -1.550 -9.834 1.00 0.40 H new ATOM 0 HH2 TRP A 119 -4.269 -1.832 -10.983 1.00 0.42 H new ATOM 1440 N VAL A 120 -1.033 1.731 -4.206 1.00 0.28 N ATOM 1441 CA VAL A 120 0.252 1.924 -3.562 1.00 0.32 C ATOM 1442 C VAL A 120 1.362 1.466 -4.505 1.00 0.34 C ATOM 1443 O VAL A 120 1.600 0.269 -4.660 1.00 0.43 O ATOM 1444 CB VAL A 120 0.337 1.226 -2.430 1.00 0.38 C ATOM 1445 CG1 VAL A 120 1.702 1.413 -1.773 1.00 0.56 C ATOM 1446 CG2 VAL A 120 -0.767 1.589 -1.446 1.00 0.62 C ATOM 0 H VAL A 120 -1.115 0.839 -4.694 1.00 0.28 H new ATOM 0 HA VAL A 120 0.357 2.983 -3.327 1.00 0.32 H new ATOM 0 HB VAL A 120 0.212 0.177 -2.699 1.00 0.38 H new ATOM 0 HG11 VAL A 120 1.745 0.833 -0.851 1.00 0.56 H new ATOM 0 HG12 VAL A 120 2.483 1.072 -2.453 1.00 0.56 H new ATOM 0 HG13 VAL A 120 1.855 2.468 -1.545 1.00 0.56 H new ATOM 0 HG21 VAL A 120 -0.656 0.995 -0.539 1.00 0.62 H new ATOM 0 HG22 VAL A 120 -0.698 2.648 -1.196 1.00 0.62 H new ATOM 0 HG23 VAL A 120 -1.738 1.385 -1.897 1.00 0.62 H new ATOM 1456 N PHE A 121 2.023 2.409 -5.152 1.00 0.34 N ATOM 1457 CA PHE A 121 3.170 2.087 -5.989 1.00 0.42 C ATOM 1458 C PHE A 121 4.452 2.428 -5.248 1.00 0.40 C ATOM 1459 O PHE A 121 4.780 3.602 -5.086 1.00 0.49 O ATOM 1460 CB PHE A 121 3.147 2.870 -7.306 1.00 0.61 C ATOM 1461 CG PHE A 121 1.965 2.595 -8.196 1.00 0.49 C ATOM 1462 CD1 PHE A 121 0.716 3.097 -7.874 1.00 0.52 C ATOM 1463 CD2 PHE A 121 2.098 1.827 -9.340 1.00 0.98 C ATOM 1464 CE1 PHE A 121 -0.378 2.839 -8.678 1.00 0.96 C ATOM 1465 CE2 PHE A 121 1.008 1.568 -10.148 1.00 1.49 C ATOM 1466 CZ PHE A 121 -0.204 2.097 -9.862 1.00 1.45 C ATOM 0 H PHE A 121 1.788 3.401 -5.116 1.00 0.34 H new ATOM 0 HA PHE A 121 3.124 1.022 -6.215 1.00 0.42 H new ATOM 0 HB2 PHE A 121 3.168 3.935 -7.077 1.00 0.61 H new ATOM 0 HB3 PHE A 121 4.058 2.645 -7.860 1.00 0.61 H new ATOM 0 HD1 PHE A 121 0.595 3.697 -6.984 1.00 0.52 H new ATOM 0 HD2 PHE A 121 3.065 1.426 -9.604 1.00 0.98 H new ATOM 0 HE1 PHE A 121 -1.356 3.203 -8.401 1.00 0.96 H new ATOM 0 HE2 PHE A 121 1.124 0.937 -11.017 1.00 1.49 H new ATOM 0 HZ PHE A 121 -1.033 1.951 -10.538 1.00 1.45 H new ATOM 1476 N VAL A 122 5.162 1.417 -4.780 1.00 0.49 N ATOM 1477 CA VAL A 122 6.428 1.649 -4.116 1.00 0.61 C ATOM 1478 C VAL A 122 7.577 1.570 -5.124 1.00 0.73 C ATOM 1479 O VAL A 122 7.511 0.829 -6.108 1.00 0.95 O ATOM 1480 CB VAL A 122 6.612 0.813 -3.092 1.00 0.77 C ATOM 1481 CG1 VAL A 122 6.793 -0.626 -3.556 1.00 1.61 C ATOM 1482 CG2 VAL A 122 7.771 1.252 -2.210 1.00 1.52 C ATOM 0 H VAL A 122 4.886 0.437 -4.847 1.00 0.49 H new ATOM 0 HA VAL A 122 6.411 2.655 -3.696 1.00 0.61 H new ATOM 0 HB VAL A 122 5.704 0.850 -2.490 1.00 0.77 H new ATOM 0 HG11 VAL A 122 6.940 -1.272 -2.690 1.00 1.61 H new ATOM 0 HG12 VAL A 122 5.906 -0.947 -4.102 1.00 1.61 H new ATOM 0 HG13 VAL A 122 7.663 -0.691 -4.209 1.00 1.61 H new ATOM 0 HG21 VAL A 122 7.890 0.547 -1.387 1.00 1.52 H new ATOM 0 HG22 VAL A 122 8.687 1.279 -2.800 1.00 1.52 H new ATOM 0 HG23 VAL A 122 7.568 2.245 -1.810 1.00 1.52 H new ATOM 1492 N LYS A 123 8.583 2.409 -4.930 1.00 0.76 N ATOM 1493 CA LYS A 123 9.716 2.469 -5.828 1.00 0.97 C ATOM 1494 C LYS A 123 10.959 2.885 -5.057 1.00 1.04 C ATOM 1495 O LYS A 123 11.057 4.021 -4.599 1.00 1.02 O ATOM 1496 CB LYS A 123 9.428 3.469 -6.955 1.00 1.11 C ATOM 1497 CG LYS A 123 10.559 3.622 -7.960 1.00 1.66 C ATOM 1498 CD LYS A 123 10.275 4.748 -8.942 1.00 2.03 C ATOM 1499 CE LYS A 123 11.416 4.932 -9.931 1.00 2.74 C ATOM 1500 NZ LYS A 123 11.527 3.798 -10.889 1.00 3.45 N ATOM 0 H LYS A 123 8.633 3.063 -4.149 1.00 0.76 H new ATOM 0 HA LYS A 123 9.887 1.485 -6.265 1.00 0.97 H new ATOM 0 HB2 LYS A 123 8.528 3.154 -7.483 1.00 1.11 H new ATOM 0 HB3 LYS A 123 9.214 4.443 -6.515 1.00 1.11 H new ATOM 0 HG2 LYS A 123 11.492 3.822 -7.433 1.00 1.66 H new ATOM 0 HG3 LYS A 123 10.694 2.687 -8.504 1.00 1.66 H new ATOM 0 HD2 LYS A 123 9.354 4.534 -9.484 1.00 2.03 H new ATOM 0 HD3 LYS A 123 10.114 5.677 -8.394 1.00 2.03 H new ATOM 0 HE2 LYS A 123 11.267 5.859 -10.485 1.00 2.74 H new ATOM 0 HE3 LYS A 123 12.353 5.035 -9.385 1.00 2.74 H new ATOM 0 HZ1 LYS A 123 12.263 4.009 -11.593 1.00 3.45 H new ATOM 0 HZ2 LYS A 123 11.780 2.931 -10.373 1.00 3.45 H new ATOM 0 HZ3 LYS A 123 10.616 3.660 -11.371 1.00 3.45 H new ATOM 1514 N ARG A 124 11.893 1.963 -4.885 1.00 1.23 N ATOM 1515 CA ARG A 124 13.105 2.266 -4.144 1.00 1.40 C ATOM 1516 C ARG A 124 14.059 3.081 -5.005 1.00 1.63 C ATOM 1517 O ARG A 124 14.141 2.885 -6.219 1.00 1.81 O ATOM 1518 CB ARG A 124 13.802 0.991 -3.655 1.00 1.65 C ATOM 1519 CG ARG A 124 14.463 0.175 -4.755 1.00 1.97 C ATOM 1520 CD ARG A 124 15.443 -0.832 -4.177 1.00 2.31 C ATOM 1521 NE ARG A 124 16.463 -0.186 -3.347 1.00 2.83 N ATOM 1522 CZ ARG A 124 17.654 -0.715 -3.079 1.00 3.38 C ATOM 1523 NH1 ARG A 124 18.005 -1.878 -3.615 1.00 3.50 N ATOM 1524 NH2 ARG A 124 18.499 -0.068 -2.286 1.00 4.23 N ATOM 0 H ARG A 124 11.836 1.010 -5.244 1.00 1.23 H new ATOM 0 HA ARG A 124 12.819 2.849 -3.269 1.00 1.40 H new ATOM 0 HB2 ARG A 124 14.557 1.264 -2.918 1.00 1.65 H new ATOM 0 HB3 ARG A 124 13.071 0.365 -3.144 1.00 1.65 H new ATOM 0 HG2 ARG A 124 13.700 -0.346 -5.333 1.00 1.97 H new ATOM 0 HG3 ARG A 124 14.985 0.841 -5.442 1.00 1.97 H new ATOM 0 HD2 ARG A 124 14.901 -1.566 -3.581 1.00 2.31 H new ATOM 0 HD3 ARG A 124 15.926 -1.376 -4.989 1.00 2.31 H new ATOM 0 HE ARG A 124 16.246 0.728 -2.949 1.00 2.83 H new ATOM 0 HH11 ARG A 124 17.361 -2.369 -4.235 1.00 3.50 H new ATOM 0 HH12 ARG A 124 18.919 -2.280 -3.407 1.00 3.50 H new ATOM 0 HH21 ARG A 124 18.234 0.831 -1.884 1.00 4.23 H new ATOM 0 HH22 ARG A 124 19.413 -0.470 -2.078 1.00 4.23 H new ATOM 1538 N VAL A 125 14.756 4.007 -4.372 1.00 1.80 N ATOM 1539 CA VAL A 125 15.738 4.825 -5.055 1.00 2.18 C ATOM 1540 C VAL A 125 17.134 4.300 -4.755 1.00 2.76 C ATOM 1541 O VAL A 125 17.815 3.827 -5.690 1.00 3.34 O ATOM 1542 CB VAL A 125 15.661 6.098 -4.688 1.00 2.48 C ATOM 1543 CG1 VAL A 125 16.611 6.953 -5.518 1.00 3.01 C ATOM 1544 CG2 VAL A 125 14.236 6.620 -4.794 1.00 3.14 C ATOM 1545 OXT VAL A 125 17.534 4.328 -3.573 1.00 3.27 O ATOM 0 H VAL A 125 14.658 4.211 -3.378 1.00 1.80 H new ATOM 0 HA VAL A 125 15.532 4.769 -6.124 1.00 2.18 H new ATOM 0 HB VAL A 125 15.961 6.163 -3.642 1.00 2.48 H new ATOM 0 HG11 VAL A 125 16.534 7.994 -5.203 1.00 3.01 H new ATOM 0 HG12 VAL A 125 17.634 6.605 -5.374 1.00 3.01 H new ATOM 0 HG13 VAL A 125 16.346 6.873 -6.572 1.00 3.01 H new ATOM 0 HG21 VAL A 125 14.208 7.665 -4.486 1.00 3.14 H new ATOM 0 HG22 VAL A 125 13.894 6.536 -5.825 1.00 3.14 H new ATOM 0 HG23 VAL A 125 13.584 6.033 -4.146 1.00 3.14 H new TER 1555 VAL A 125 HETATM 1556 C1 HC4 A 169 3.457 -1.336 19.304 1.00 12.02 C HETATM 1557 O1 HC4 A 169 3.551 -2.541 19.465 1.00 12.16 O HETATM 1558 C2 HC4 A 169 4.195 -0.250 20.123 1.00 12.51 C HETATM 1559 C3 HC4 A 169 5.063 -0.446 21.140 1.00 13.15 C HETATM 1560 C1' HC4 A 169 5.630 -1.680 21.701 1.00 13.58 C HETATM 1561 C2' HC4 A 169 6.532 -1.574 22.756 1.00 14.40 C HETATM 1562 C3' HC4 A 169 7.091 -2.692 23.344 1.00 14.99 C HETATM 1563 C4' HC4 A 169 6.754 -3.944 22.888 1.00 14.81 C HETATM 1564 C5' HC4 A 169 5.863 -4.081 21.853 1.00 14.03 C HETATM 1565 C6' HC4 A 169 5.309 -2.959 21.272 1.00 13.40 C HETATM 1566 O4' HC4 A 169 7.311 -5.062 23.466 1.00 15.56 O HETATM 0 HO4' HC4 A 169 6.964 -5.866 23.025 1.00 15.56 H new HETATM 0 H6' HC4 A 169 4.600 -3.081 20.453 1.00 13.40 H new HETATM 0 H5' HC4 A 169 5.594 -5.073 21.491 1.00 14.03 H new HETATM 0 H3' HC4 A 169 7.797 -2.582 24.167 1.00 14.99 H new HETATM 0 H3 HC4 A 169 5.400 0.468 21.628 1.00 13.15 H new HETATM 0 H2' HC4 A 169 6.804 -0.586 23.127 1.00 14.40 H new HETATM 0 H2 HC4 A 169 3.993 0.786 19.850 1.00 12.51 H new