USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 981 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 ASN : amide:sc= 0.679 K(o=-4.6,f=0.32) USER MOD Set 1.2: A 24 ASN : amide:sc= -4.72! K(o=-4.6!,f=1.5) USER MOD Set 1.3: A 30 THR OG1 : rot 92:sc= -0.53 USER MOD Single : A 5 LYS NZ :NH3+ -159:sc= 1.09 (180deg=-0.336) USER MOD Single : A 12 GLN : amide:sc= -1.79 K(o=-1.8,f=-6.6!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot -70:sc= -0.828 USER MOD Single : A 29 GLN : amide:sc= -0.781 K(o=-0.78,f=0) USER MOD Single : A 32 GLN : amide:sc= -2.06! C(o=-2.1!,f=-6.9!) USER MOD Single : A 35 ASN : amide:sc= -1.28 K(o=-1.3,f=0.064) USER MOD Single : A 38 GLN : amide:sc= -1.23 K(o=-1.2,f=-0.35) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 155:sc= 1.15 (180deg=0.987) USER MOD Single : A 55 MET CE :methyl 166:sc= -1.63 (180deg=-2.43!) USER MOD Single : A 56 LYS NZ :NH3+ -173:sc= 1.25 (180deg=1.13) USER MOD Single : A 60 MET CE :methyl 159:sc= -0.134 (180deg=-0.679) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 138:sc= -2.69 (180deg=-4.81!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0.793 K(o=0.79,f=-3.8!) USER MOD Single : A 81 MET CE :methyl -107:sc= -1.04 (180deg=-1.69) USER MOD Single : A 82 THR OG1 : rot 85:sc= -4.77! USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -147:sc= -3.88! (180deg=-6.05!) USER MOD Single : A 91 GLN : amide:sc= -0.0291 K(o=-0.029,f=-0.99) USER MOD Single : A 93 SER OG : rot 60:sc= -0.651 USER MOD Single : A 94 LYS NZ :NH3+ -163:sc= -0.025 (180deg=-0.236) USER MOD Single : A 100 THR OG1 : rot -123:sc= 0.521 USER MOD Single : A 101 HIS : no HD1:sc= -0.0537 X(o=-0.054,f=0) USER MOD Single : A 104 LYS NZ :NH3+ -152:sc= 0.158 (180deg=0.0141) USER MOD Single : A 116 LYS NZ :NH3+ -137:sc= 1.26 (180deg=0.982) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 51 N GLU A 4 6.091 -11.502 -2.457 1.00 0.63 N ATOM 52 CA GLU A 4 6.166 -10.191 -1.864 1.00 0.52 C ATOM 53 C GLU A 4 5.363 -9.232 -2.727 1.00 0.40 C ATOM 54 O GLU A 4 5.884 -8.605 -3.653 1.00 0.47 O ATOM 55 CB GLU A 4 7.623 -9.734 -1.704 1.00 0.62 C ATOM 56 CG GLU A 4 8.426 -10.563 -0.705 1.00 1.08 C ATOM 57 CD GLU A 4 8.717 -11.976 -1.182 1.00 1.31 C ATOM 58 OE1 GLU A 4 9.721 -12.182 -1.899 1.00 1.51 O ATOM 59 OE2 GLU A 4 7.935 -12.885 -0.845 1.00 1.90 O ATOM 0 HA GLU A 4 5.743 -10.213 -0.860 1.00 0.52 H new ATOM 0 HB2 GLU A 4 8.116 -9.777 -2.675 1.00 0.62 H new ATOM 0 HB3 GLU A 4 7.634 -8.691 -1.387 1.00 0.62 H new ATOM 0 HG2 GLU A 4 9.369 -10.056 -0.500 1.00 1.08 H new ATOM 0 HG3 GLU A 4 7.879 -10.612 0.237 1.00 1.08 H new ATOM 66 N LYS A 5 4.069 -9.175 -2.449 1.00 0.31 N ATOM 67 CA LYS A 5 3.143 -8.435 -3.284 1.00 0.26 C ATOM 68 C LYS A 5 2.635 -7.187 -2.589 1.00 0.21 C ATOM 69 O LYS A 5 2.520 -7.145 -1.369 1.00 0.21 O ATOM 70 CB LYS A 5 1.953 -9.309 -3.676 1.00 0.29 C ATOM 71 CG LYS A 5 1.745 -9.409 -5.180 1.00 0.34 C ATOM 72 CD LYS A 5 0.271 -9.341 -5.562 1.00 0.39 C ATOM 73 CE LYS A 5 -0.498 -10.571 -5.128 1.00 0.39 C ATOM 74 NZ LYS A 5 0.113 -11.840 -5.639 1.00 0.56 N ATOM 0 H LYS A 5 3.638 -9.635 -1.647 1.00 0.31 H new ATOM 0 HA LYS A 5 3.690 -8.137 -4.178 1.00 0.26 H new ATOM 0 HB2 LYS A 5 2.098 -10.310 -3.270 1.00 0.29 H new ATOM 0 HB3 LYS A 5 1.050 -8.906 -3.218 1.00 0.29 H new ATOM 0 HG2 LYS A 5 2.285 -8.601 -5.674 1.00 0.34 H new ATOM 0 HG3 LYS A 5 2.170 -10.345 -5.543 1.00 0.34 H new ATOM 0 HD2 LYS A 5 -0.178 -8.457 -5.109 1.00 0.39 H new ATOM 0 HD3 LYS A 5 0.184 -9.224 -6.642 1.00 0.39 H new ATOM 0 HE2 LYS A 5 -0.539 -10.604 -4.039 1.00 0.39 H new ATOM 0 HE3 LYS A 5 -1.526 -10.497 -5.484 1.00 0.39 H new ATOM 0 HZ1 LYS A 5 -0.601 -12.596 -5.634 1.00 0.56 H new ATOM 0 HZ2 LYS A 5 0.455 -11.694 -6.610 1.00 0.56 H new ATOM 0 HZ3 LYS A 5 0.910 -12.112 -5.028 1.00 0.56 H new ATOM 88 N ILE A 6 2.325 -6.187 -3.391 1.00 0.21 N ATOM 89 CA ILE A 6 1.776 -4.940 -2.906 1.00 0.20 C ATOM 90 C ILE A 6 0.503 -4.589 -3.665 1.00 0.23 C ATOM 91 O ILE A 6 0.502 -4.523 -4.891 1.00 0.40 O ATOM 92 CB ILE A 6 2.804 -3.800 -3.046 1.00 0.20 C ATOM 93 CG1 ILE A 6 3.916 -3.979 -2.008 1.00 0.22 C ATOM 94 CG2 ILE A 6 2.133 -2.441 -2.909 1.00 0.21 C ATOM 95 CD1 ILE A 6 4.980 -2.912 -2.062 1.00 0.27 C ATOM 0 H ILE A 6 2.448 -6.219 -4.403 1.00 0.21 H new ATOM 0 HA ILE A 6 1.535 -5.063 -1.850 1.00 0.20 H new ATOM 0 HB ILE A 6 3.247 -3.842 -4.041 1.00 0.20 H new ATOM 0 HG12 ILE A 6 3.472 -3.986 -1.012 1.00 0.22 H new ATOM 0 HG13 ILE A 6 4.384 -4.952 -2.155 1.00 0.22 H new ATOM 0 HG21 ILE A 6 2.880 -1.654 -3.012 1.00 0.21 H new ATOM 0 HG22 ILE A 6 1.378 -2.328 -3.687 1.00 0.21 H new ATOM 0 HG23 ILE A 6 1.659 -2.366 -1.930 1.00 0.21 H new ATOM 0 HD11 ILE A 6 5.731 -3.108 -1.297 1.00 0.27 H new ATOM 0 HD12 ILE A 6 5.452 -2.918 -3.044 1.00 0.27 H new ATOM 0 HD13 ILE A 6 4.527 -1.937 -1.884 1.00 0.27 H new ATOM 107 N LEU A 7 -0.578 -4.385 -2.934 1.00 0.11 N ATOM 108 CA LEU A 7 -1.850 -4.011 -3.538 1.00 0.11 C ATOM 109 C LEU A 7 -1.986 -2.502 -3.603 1.00 0.14 C ATOM 110 O LEU A 7 -1.606 -1.806 -2.676 1.00 0.29 O ATOM 111 CB LEU A 7 -3.011 -4.628 -2.763 1.00 0.11 C ATOM 112 CG LEU A 7 -3.475 -5.970 -3.329 1.00 0.14 C ATOM 113 CD1 LEU A 7 -4.599 -6.529 -2.496 1.00 0.15 C ATOM 114 CD2 LEU A 7 -3.934 -5.788 -4.761 1.00 0.17 C ATOM 0 H LEU A 7 -0.603 -4.472 -1.918 1.00 0.11 H new ATOM 0 HA LEU A 7 -1.876 -4.398 -4.557 1.00 0.11 H new ATOM 0 HB2 LEU A 7 -2.712 -4.764 -1.724 1.00 0.11 H new ATOM 0 HB3 LEU A 7 -3.850 -3.932 -2.765 1.00 0.11 H new ATOM 0 HG LEU A 7 -2.641 -6.671 -3.304 1.00 0.14 H new ATOM 0 HD11 LEU A 7 -4.919 -7.485 -2.911 1.00 0.15 H new ATOM 0 HD12 LEU A 7 -4.255 -6.675 -1.472 1.00 0.15 H new ATOM 0 HD13 LEU A 7 -5.437 -5.832 -2.501 1.00 0.15 H new ATOM 0 HD21 LEU A 7 -4.264 -6.746 -5.162 1.00 0.17 H new ATOM 0 HD22 LEU A 7 -4.761 -5.078 -4.791 1.00 0.17 H new ATOM 0 HD23 LEU A 7 -3.108 -5.408 -5.362 1.00 0.17 H new ATOM 126 N ILE A 8 -2.499 -2.002 -4.712 1.00 0.08 N ATOM 127 CA ILE A 8 -2.618 -0.567 -4.916 1.00 0.08 C ATOM 128 C ILE A 8 -4.033 -0.184 -5.344 1.00 0.08 C ATOM 129 O ILE A 8 -4.465 -0.495 -6.460 1.00 0.10 O ATOM 130 CB ILE A 8 -1.607 -0.109 -5.978 1.00 0.10 C ATOM 131 CG1 ILE A 8 -0.188 -0.423 -5.505 1.00 0.11 C ATOM 132 CG2 ILE A 8 -1.762 1.379 -6.257 1.00 0.12 C ATOM 133 CD1 ILE A 8 0.800 -0.570 -6.634 1.00 0.12 C ATOM 0 H ILE A 8 -2.841 -2.569 -5.488 1.00 0.08 H new ATOM 0 HA ILE A 8 -2.406 -0.069 -3.970 1.00 0.08 H new ATOM 0 HB ILE A 8 -1.798 -0.647 -6.906 1.00 0.10 H new ATOM 0 HG12 ILE A 8 0.149 0.371 -4.838 1.00 0.11 H new ATOM 0 HG13 ILE A 8 -0.203 -1.344 -4.922 1.00 0.11 H new ATOM 0 HG21 ILE A 8 -1.038 1.685 -7.012 1.00 0.12 H new ATOM 0 HG22 ILE A 8 -2.770 1.578 -6.620 1.00 0.12 H new ATOM 0 HG23 ILE A 8 -1.589 1.941 -5.339 1.00 0.12 H new ATOM 0 HD11 ILE A 8 1.787 -0.792 -6.227 1.00 0.12 H new ATOM 0 HD12 ILE A 8 0.486 -1.383 -7.289 1.00 0.12 H new ATOM 0 HD13 ILE A 8 0.843 0.359 -7.203 1.00 0.12 H new ATOM 145 N VAL A 9 -4.766 0.467 -4.447 1.00 0.09 N ATOM 146 CA VAL A 9 -6.121 0.900 -4.752 1.00 0.10 C ATOM 147 C VAL A 9 -6.135 2.271 -5.441 1.00 0.14 C ATOM 148 O VAL A 9 -5.833 3.289 -4.828 1.00 0.17 O ATOM 149 CB VAL A 9 -6.983 0.926 -3.472 1.00 0.11 C ATOM 150 CG1 VAL A 9 -8.347 1.538 -3.739 1.00 0.14 C ATOM 151 CG2 VAL A 9 -7.133 -0.486 -2.929 1.00 0.11 C ATOM 0 H VAL A 9 -4.445 0.704 -3.508 1.00 0.09 H new ATOM 0 HA VAL A 9 -6.550 0.178 -5.447 1.00 0.10 H new ATOM 0 HB VAL A 9 -6.481 1.547 -2.730 1.00 0.11 H new ATOM 0 HG11 VAL A 9 -8.930 1.542 -2.818 1.00 0.14 H new ATOM 0 HG12 VAL A 9 -8.224 2.561 -4.095 1.00 0.14 H new ATOM 0 HG13 VAL A 9 -8.867 0.951 -4.496 1.00 0.14 H new ATOM 0 HG21 VAL A 9 -7.742 -0.465 -2.025 1.00 0.11 H new ATOM 0 HG22 VAL A 9 -7.616 -1.114 -3.678 1.00 0.11 H new ATOM 0 HG23 VAL A 9 -6.149 -0.892 -2.694 1.00 0.11 H new ATOM 161 N ASP A 10 -6.466 2.259 -6.732 1.00 0.17 N ATOM 162 CA ASP A 10 -6.592 3.467 -7.544 1.00 0.21 C ATOM 163 C ASP A 10 -7.615 3.262 -8.665 1.00 0.24 C ATOM 164 O ASP A 10 -7.574 2.256 -9.366 1.00 0.38 O ATOM 165 CB ASP A 10 -5.255 3.820 -8.176 1.00 0.23 C ATOM 166 CG ASP A 10 -5.394 4.915 -9.213 1.00 0.76 C ATOM 167 OD1 ASP A 10 -6.046 5.937 -8.912 1.00 0.78 O ATOM 168 OD2 ASP A 10 -4.824 4.777 -10.313 1.00 1.27 O ATOM 0 H ASP A 10 -6.656 1.400 -7.248 1.00 0.17 H new ATOM 0 HA ASP A 10 -6.921 4.273 -6.889 1.00 0.21 H new ATOM 0 HB2 ASP A 10 -4.560 4.140 -7.400 1.00 0.23 H new ATOM 0 HB3 ASP A 10 -4.827 2.932 -8.641 1.00 0.23 H new ATOM 173 N ASP A 11 -8.517 4.221 -8.846 1.00 0.29 N ATOM 174 CA ASP A 11 -9.483 4.157 -9.941 1.00 0.30 C ATOM 175 C ASP A 11 -8.946 4.881 -11.162 1.00 0.28 C ATOM 176 O ASP A 11 -9.286 4.539 -12.293 1.00 0.32 O ATOM 177 CB ASP A 11 -10.826 4.770 -9.549 1.00 0.39 C ATOM 178 CG ASP A 11 -11.848 4.694 -10.671 1.00 0.79 C ATOM 179 OD1 ASP A 11 -12.414 3.601 -10.893 1.00 0.76 O ATOM 180 OD2 ASP A 11 -12.091 5.720 -11.337 1.00 1.40 O ATOM 0 H ASP A 11 -8.601 5.047 -8.254 1.00 0.29 H new ATOM 0 HA ASP A 11 -9.638 3.103 -10.171 1.00 0.30 H new ATOM 0 HB2 ASP A 11 -11.215 4.254 -8.671 1.00 0.39 H new ATOM 0 HB3 ASP A 11 -10.678 5.812 -9.266 1.00 0.39 H new ATOM 185 N GLN A 12 -8.068 5.856 -10.922 1.00 0.30 N ATOM 186 CA GLN A 12 -7.568 6.722 -11.983 1.00 0.35 C ATOM 187 C GLN A 12 -6.851 5.904 -13.051 1.00 0.31 C ATOM 188 O GLN A 12 -6.756 6.323 -14.205 1.00 0.38 O ATOM 189 CB GLN A 12 -6.607 7.770 -11.419 1.00 0.45 C ATOM 190 CG GLN A 12 -7.203 8.661 -10.336 1.00 0.59 C ATOM 191 CD GLN A 12 -8.283 9.597 -10.849 1.00 1.07 C ATOM 192 OE1 GLN A 12 -9.003 9.289 -11.800 1.00 1.90 O ATOM 193 NE2 GLN A 12 -8.397 10.756 -10.222 1.00 1.77 N ATOM 0 H GLN A 12 -7.689 6.064 -9.998 1.00 0.30 H new ATOM 0 HA GLN A 12 -8.424 7.227 -12.431 1.00 0.35 H new ATOM 0 HB2 GLN A 12 -5.733 7.261 -11.012 1.00 0.45 H new ATOM 0 HB3 GLN A 12 -6.257 8.400 -12.237 1.00 0.45 H new ATOM 0 HG2 GLN A 12 -7.621 8.033 -9.549 1.00 0.59 H new ATOM 0 HG3 GLN A 12 -6.406 9.251 -9.883 1.00 0.59 H new ATOM 0 HE21 GLN A 12 -7.782 10.975 -9.438 1.00 1.77 H new ATOM 0 HE22 GLN A 12 -9.100 11.431 -10.522 1.00 1.77 H new ATOM 202 N TYR A 13 -6.315 4.759 -12.616 1.00 0.24 N ATOM 203 CA TYR A 13 -5.685 3.759 -13.481 1.00 0.23 C ATOM 204 C TYR A 13 -4.211 4.068 -13.676 1.00 0.22 C ATOM 205 O TYR A 13 -3.396 3.162 -13.852 1.00 0.29 O ATOM 206 CB TYR A 13 -6.412 3.635 -14.827 1.00 0.30 C ATOM 207 CG TYR A 13 -5.943 2.490 -15.697 1.00 0.42 C ATOM 208 CD1 TYR A 13 -6.405 1.194 -15.497 1.00 0.56 C ATOM 209 CD2 TYR A 13 -5.024 2.707 -16.709 1.00 0.53 C ATOM 210 CE1 TYR A 13 -5.962 0.150 -16.290 1.00 0.72 C ATOM 211 CE2 TYR A 13 -4.575 1.674 -17.502 1.00 0.67 C ATOM 212 CZ TYR A 13 -5.119 0.375 -17.300 1.00 0.76 C ATOM 213 OH TYR A 13 -4.591 -0.634 -18.081 1.00 0.92 O ATOM 0 H TYR A 13 -6.307 4.497 -11.630 1.00 0.24 H new ATOM 0 HA TYR A 13 -5.765 2.793 -12.983 1.00 0.23 H new ATOM 0 HB2 TYR A 13 -7.479 3.516 -14.638 1.00 0.30 H new ATOM 0 HB3 TYR A 13 -6.288 4.567 -15.379 1.00 0.30 H new ATOM 0 HD1 TYR A 13 -7.120 0.999 -14.711 1.00 0.56 H new ATOM 0 HD2 TYR A 13 -4.652 3.706 -16.880 1.00 0.53 H new ATOM 0 HE1 TYR A 13 -6.301 -0.856 -16.090 1.00 0.72 H new ATOM 0 HE2 TYR A 13 -3.826 1.846 -18.261 1.00 0.67 H new ATOM 0 HH TYR A 13 -4.001 -0.247 -18.761 1.00 0.92 H new ATOM 223 N GLY A 14 -3.864 5.339 -13.608 1.00 0.22 N ATOM 224 CA GLY A 14 -2.479 5.721 -13.724 1.00 0.25 C ATOM 225 C GLY A 14 -1.749 5.633 -12.407 1.00 0.23 C ATOM 226 O GLY A 14 -0.624 5.146 -12.364 1.00 0.22 O ATOM 0 H GLY A 14 -4.516 6.112 -13.475 1.00 0.22 H new ATOM 0 HA2 GLY A 14 -1.987 5.078 -14.453 1.00 0.25 H new ATOM 0 HA3 GLY A 14 -2.416 6.741 -14.104 1.00 0.25 H new ATOM 230 N ILE A 15 -2.394 6.067 -11.324 1.00 0.24 N ATOM 231 CA ILE A 15 -1.761 6.060 -10.007 1.00 0.23 C ATOM 232 C ILE A 15 -1.349 4.650 -9.641 1.00 0.20 C ATOM 233 O ILE A 15 -0.241 4.419 -9.144 1.00 0.19 O ATOM 234 CB ILE A 15 -2.692 6.582 -8.890 1.00 0.24 C ATOM 235 CG1 ILE A 15 -3.391 7.878 -9.313 1.00 0.28 C ATOM 236 CG2 ILE A 15 -1.905 6.801 -7.602 1.00 0.25 C ATOM 237 CD1 ILE A 15 -2.442 9.021 -9.607 1.00 0.29 C ATOM 0 H ILE A 15 -3.349 6.426 -11.333 1.00 0.24 H new ATOM 0 HA ILE A 15 -0.900 6.724 -10.079 1.00 0.23 H new ATOM 0 HB ILE A 15 -3.458 5.828 -8.711 1.00 0.24 H new ATOM 0 HG12 ILE A 15 -3.993 7.681 -10.200 1.00 0.28 H new ATOM 0 HG13 ILE A 15 -4.078 8.183 -8.523 1.00 0.28 H new ATOM 0 HG21 ILE A 15 -2.575 7.169 -6.825 1.00 0.25 H new ATOM 0 HG22 ILE A 15 -1.461 5.858 -7.282 1.00 0.25 H new ATOM 0 HG23 ILE A 15 -1.116 7.533 -7.777 1.00 0.25 H new ATOM 0 HD11 ILE A 15 -3.013 9.902 -9.899 1.00 0.29 H new ATOM 0 HD12 ILE A 15 -1.857 9.247 -8.715 1.00 0.29 H new ATOM 0 HD13 ILE A 15 -1.771 8.738 -10.418 1.00 0.29 H new ATOM 249 N ARG A 16 -2.249 3.703 -9.895 1.00 0.19 N ATOM 250 CA ARG A 16 -1.952 2.317 -9.625 1.00 0.17 C ATOM 251 C ARG A 16 -0.701 1.894 -10.365 1.00 0.16 C ATOM 252 O ARG A 16 0.197 1.308 -9.776 1.00 0.16 O ATOM 253 CB ARG A 16 -3.109 1.377 -9.978 1.00 0.19 C ATOM 254 CG ARG A 16 -4.135 1.919 -10.956 1.00 0.24 C ATOM 255 CD ARG A 16 -5.191 0.866 -11.229 1.00 0.38 C ATOM 256 NE ARG A 16 -6.426 1.413 -11.778 1.00 0.76 N ATOM 257 CZ ARG A 16 -7.351 0.677 -12.393 1.00 0.67 C ATOM 258 NH1 ARG A 16 -7.112 -0.604 -12.648 1.00 0.95 N ATOM 259 NH2 ARG A 16 -8.493 1.230 -12.782 1.00 1.51 N ATOM 0 H ARG A 16 -3.176 3.876 -10.283 1.00 0.19 H new ATOM 0 HA ARG A 16 -1.792 2.237 -8.550 1.00 0.17 H new ATOM 0 HB2 ARG A 16 -2.691 0.459 -10.392 1.00 0.19 H new ATOM 0 HB3 ARG A 16 -3.624 1.105 -9.056 1.00 0.19 H new ATOM 0 HG2 ARG A 16 -4.600 2.817 -10.549 1.00 0.24 H new ATOM 0 HG3 ARG A 16 -3.647 2.207 -11.887 1.00 0.24 H new ATOM 0 HD2 ARG A 16 -4.788 0.130 -11.924 1.00 0.38 H new ATOM 0 HD3 ARG A 16 -5.416 0.339 -10.302 1.00 0.38 H new ATOM 0 HE ARG A 16 -6.591 2.415 -11.686 1.00 0.76 H new ATOM 0 HH11 ARG A 16 -6.223 -1.021 -12.373 1.00 0.95 H new ATOM 0 HH12 ARG A 16 -7.818 -1.171 -13.119 1.00 0.95 H new ATOM 0 HH21 ARG A 16 -8.664 2.221 -12.610 1.00 1.51 H new ATOM 0 HH22 ARG A 16 -9.199 0.664 -13.253 1.00 1.51 H new ATOM 273 N ILE A 17 -0.633 2.224 -11.645 1.00 0.17 N ATOM 274 CA ILE A 17 0.524 1.888 -12.462 1.00 0.18 C ATOM 275 C ILE A 17 1.774 2.583 -11.933 1.00 0.19 C ATOM 276 O ILE A 17 2.850 1.997 -11.927 1.00 0.19 O ATOM 277 CB ILE A 17 0.299 2.272 -13.942 1.00 0.21 C ATOM 278 CG1 ILE A 17 -0.884 1.490 -14.521 1.00 0.19 C ATOM 279 CG2 ILE A 17 1.554 2.024 -14.766 1.00 0.28 C ATOM 280 CD1 ILE A 17 -0.712 -0.014 -14.469 1.00 0.23 C ATOM 0 H ILE A 17 -1.368 2.726 -12.143 1.00 0.17 H new ATOM 0 HA ILE A 17 0.663 0.808 -12.405 1.00 0.18 H new ATOM 0 HB ILE A 17 0.070 3.337 -13.986 1.00 0.21 H new ATOM 0 HG12 ILE A 17 -1.788 1.761 -13.975 1.00 0.19 H new ATOM 0 HG13 ILE A 17 -1.034 1.793 -15.557 1.00 0.19 H new ATOM 0 HG21 ILE A 17 1.369 2.302 -15.804 1.00 0.28 H new ATOM 0 HG22 ILE A 17 2.374 2.624 -14.370 1.00 0.28 H new ATOM 0 HG23 ILE A 17 1.820 0.968 -14.715 1.00 0.28 H new ATOM 0 HD11 ILE A 17 -1.591 -0.496 -14.897 1.00 0.23 H new ATOM 0 HD12 ILE A 17 0.172 -0.299 -15.039 1.00 0.23 H new ATOM 0 HD13 ILE A 17 -0.593 -0.331 -13.433 1.00 0.23 H new ATOM 292 N LEU A 18 1.620 3.821 -11.464 1.00 0.20 N ATOM 293 CA LEU A 18 2.748 4.582 -10.930 1.00 0.21 C ATOM 294 C LEU A 18 3.409 3.834 -9.781 1.00 0.18 C ATOM 295 O LEU A 18 4.632 3.716 -9.725 1.00 0.18 O ATOM 296 CB LEU A 18 2.304 5.963 -10.438 1.00 0.23 C ATOM 297 CG LEU A 18 1.596 6.827 -11.474 1.00 0.26 C ATOM 298 CD1 LEU A 18 1.229 8.175 -10.876 1.00 0.31 C ATOM 299 CD2 LEU A 18 2.461 7.007 -12.713 1.00 0.29 C ATOM 0 H LEU A 18 0.729 4.316 -11.443 1.00 0.20 H new ATOM 0 HA LEU A 18 3.464 4.708 -11.742 1.00 0.21 H new ATOM 0 HB2 LEU A 18 1.639 5.830 -9.585 1.00 0.23 H new ATOM 0 HB3 LEU A 18 3.181 6.501 -10.078 1.00 0.23 H new ATOM 0 HG LEU A 18 0.679 6.320 -11.774 1.00 0.26 H new ATOM 0 HD11 LEU A 18 0.724 8.781 -11.628 1.00 0.31 H new ATOM 0 HD12 LEU A 18 0.566 8.027 -10.024 1.00 0.31 H new ATOM 0 HD13 LEU A 18 2.134 8.685 -10.547 1.00 0.31 H new ATOM 0 HD21 LEU A 18 1.934 7.627 -13.438 1.00 0.29 H new ATOM 0 HD22 LEU A 18 3.398 7.490 -12.436 1.00 0.29 H new ATOM 0 HD23 LEU A 18 2.672 6.033 -13.154 1.00 0.29 H new ATOM 311 N LEU A 19 2.597 3.317 -8.872 1.00 0.16 N ATOM 312 CA LEU A 19 3.125 2.560 -7.748 1.00 0.13 C ATOM 313 C LEU A 19 3.482 1.155 -8.193 1.00 0.12 C ATOM 314 O LEU A 19 4.441 0.572 -7.710 1.00 0.11 O ATOM 315 CB LEU A 19 2.122 2.490 -6.594 1.00 0.14 C ATOM 316 CG LEU A 19 1.492 3.820 -6.177 1.00 0.14 C ATOM 317 CD1 LEU A 19 0.680 3.652 -4.904 1.00 0.14 C ATOM 318 CD2 LEU A 19 2.551 4.899 -5.999 1.00 0.17 C ATOM 0 H LEU A 19 1.581 3.406 -8.889 1.00 0.16 H new ATOM 0 HA LEU A 19 4.017 3.075 -7.392 1.00 0.13 H new ATOM 0 HB2 LEU A 19 1.323 1.803 -6.873 1.00 0.14 H new ATOM 0 HB3 LEU A 19 2.624 2.060 -5.727 1.00 0.14 H new ATOM 0 HG LEU A 19 0.821 4.138 -6.975 1.00 0.14 H new ATOM 0 HD11 LEU A 19 0.240 4.609 -4.624 1.00 0.14 H new ATOM 0 HD12 LEU A 19 -0.113 2.923 -5.072 1.00 0.14 H new ATOM 0 HD13 LEU A 19 1.330 3.303 -4.101 1.00 0.14 H new ATOM 0 HD21 LEU A 19 2.073 5.833 -5.703 1.00 0.17 H new ATOM 0 HD22 LEU A 19 3.257 4.592 -5.227 1.00 0.17 H new ATOM 0 HD23 LEU A 19 3.082 5.046 -6.939 1.00 0.17 H new ATOM 330 N ASN A 20 2.713 0.624 -9.130 1.00 0.12 N ATOM 331 CA ASN A 20 2.970 -0.703 -9.672 1.00 0.12 C ATOM 332 C ASN A 20 4.378 -0.756 -10.257 1.00 0.13 C ATOM 333 O ASN A 20 5.168 -1.632 -9.916 1.00 0.14 O ATOM 334 CB ASN A 20 1.927 -1.044 -10.751 1.00 0.15 C ATOM 335 CG ASN A 20 0.796 -1.921 -10.234 1.00 0.17 C ATOM 336 OD1 ASN A 20 0.834 -3.143 -10.358 1.00 0.20 O ATOM 337 ND2 ASN A 20 -0.217 -1.306 -9.645 1.00 0.19 N ATOM 0 H ASN A 20 1.902 1.093 -9.533 1.00 0.12 H new ATOM 0 HA ASN A 20 2.893 -1.439 -8.872 1.00 0.12 H new ATOM 0 HB2 ASN A 20 1.509 -0.119 -11.148 1.00 0.15 H new ATOM 0 HB3 ASN A 20 2.422 -1.551 -11.579 1.00 0.15 H new ATOM 0 HD21 ASN A 20 -0.999 -1.848 -9.277 1.00 0.19 H new ATOM 0 HD22 ASN A 20 -0.216 -0.290 -9.559 1.00 0.19 H new ATOM 344 N GLU A 21 4.708 0.224 -11.092 1.00 0.15 N ATOM 345 CA GLU A 21 6.000 0.245 -11.758 1.00 0.17 C ATOM 346 C GLU A 21 7.130 0.640 -10.810 1.00 0.17 C ATOM 347 O GLU A 21 8.248 0.195 -10.987 1.00 0.23 O ATOM 348 CB GLU A 21 5.993 1.191 -12.962 1.00 0.19 C ATOM 349 CG GLU A 21 5.731 2.642 -12.602 1.00 0.21 C ATOM 350 CD GLU A 21 6.153 3.596 -13.695 1.00 0.27 C ATOM 351 OE1 GLU A 21 5.419 3.738 -14.694 1.00 0.33 O ATOM 352 OE2 GLU A 21 7.237 4.205 -13.570 1.00 0.40 O ATOM 0 H GLU A 21 4.100 1.010 -11.321 1.00 0.15 H new ATOM 0 HA GLU A 21 6.181 -0.773 -12.104 1.00 0.17 H new ATOM 0 HB2 GLU A 21 6.954 1.121 -13.472 1.00 0.19 H new ATOM 0 HB3 GLU A 21 5.232 0.859 -13.668 1.00 0.19 H new ATOM 0 HG2 GLU A 21 4.669 2.776 -12.398 1.00 0.21 H new ATOM 0 HG3 GLU A 21 6.265 2.887 -11.684 1.00 0.21 H new ATOM 359 N VAL A 22 6.843 1.473 -9.815 1.00 0.15 N ATOM 360 CA VAL A 22 7.878 1.934 -8.885 1.00 0.17 C ATOM 361 C VAL A 22 8.121 0.939 -7.762 1.00 0.16 C ATOM 362 O VAL A 22 9.236 0.798 -7.273 1.00 0.20 O ATOM 363 CB VAL A 22 7.545 3.323 -8.307 1.00 0.18 C ATOM 364 CG1 VAL A 22 8.244 3.551 -6.979 1.00 0.27 C ATOM 365 CG2 VAL A 22 7.955 4.400 -9.289 1.00 0.21 C ATOM 0 H VAL A 22 5.911 1.843 -9.629 1.00 0.15 H new ATOM 0 HA VAL A 22 8.798 2.016 -9.464 1.00 0.17 H new ATOM 0 HB VAL A 22 6.469 3.368 -8.138 1.00 0.18 H new ATOM 0 HG11 VAL A 22 7.988 4.540 -6.598 1.00 0.27 H new ATOM 0 HG12 VAL A 22 7.924 2.793 -6.264 1.00 0.27 H new ATOM 0 HG13 VAL A 22 9.323 3.484 -7.120 1.00 0.27 H new ATOM 0 HG21 VAL A 22 7.717 5.380 -8.875 1.00 0.21 H new ATOM 0 HG22 VAL A 22 9.027 4.335 -9.474 1.00 0.21 H new ATOM 0 HG23 VAL A 22 7.416 4.262 -10.226 1.00 0.21 H new ATOM 375 N PHE A 23 7.106 0.238 -7.340 1.00 0.12 N ATOM 376 CA PHE A 23 7.336 -0.836 -6.413 1.00 0.10 C ATOM 377 C PHE A 23 8.093 -1.925 -7.141 1.00 0.11 C ATOM 378 O PHE A 23 9.135 -2.385 -6.690 1.00 0.15 O ATOM 379 CB PHE A 23 6.023 -1.380 -5.845 1.00 0.10 C ATOM 380 CG PHE A 23 5.372 -0.515 -4.802 1.00 0.13 C ATOM 381 CD1 PHE A 23 6.096 -0.016 -3.737 1.00 0.32 C ATOM 382 CD2 PHE A 23 4.018 -0.230 -4.878 1.00 0.18 C ATOM 383 CE1 PHE A 23 5.479 0.750 -2.769 1.00 0.38 C ATOM 384 CE2 PHE A 23 3.399 0.539 -3.915 1.00 0.18 C ATOM 385 CZ PHE A 23 4.130 1.027 -2.857 1.00 0.26 C ATOM 0 H PHE A 23 6.134 0.384 -7.614 1.00 0.12 H new ATOM 0 HA PHE A 23 7.916 -0.468 -5.567 1.00 0.10 H new ATOM 0 HB2 PHE A 23 5.321 -1.522 -6.667 1.00 0.10 H new ATOM 0 HB3 PHE A 23 6.212 -2.363 -5.413 1.00 0.10 H new ATOM 0 HD1 PHE A 23 7.153 -0.227 -3.661 1.00 0.32 H new ATOM 0 HD2 PHE A 23 3.439 -0.616 -5.704 1.00 0.18 H new ATOM 0 HE1 PHE A 23 6.054 1.134 -1.939 1.00 0.38 H new ATOM 0 HE2 PHE A 23 2.344 0.757 -3.991 1.00 0.18 H new ATOM 0 HZ PHE A 23 3.649 1.625 -2.097 1.00 0.26 H new ATOM 395 N ASN A 24 7.605 -2.285 -8.313 1.00 0.12 N ATOM 396 CA ASN A 24 8.263 -3.300 -9.108 1.00 0.14 C ATOM 397 C ASN A 24 9.651 -2.829 -9.486 1.00 0.18 C ATOM 398 O ASN A 24 10.573 -3.636 -9.571 1.00 0.20 O ATOM 399 CB ASN A 24 7.458 -3.653 -10.361 1.00 0.16 C ATOM 400 CG ASN A 24 6.243 -4.526 -10.077 1.00 0.16 C ATOM 401 OD1 ASN A 24 5.803 -5.284 -10.940 1.00 0.21 O ATOM 402 ND2 ASN A 24 5.715 -4.462 -8.865 1.00 0.15 N ATOM 0 H ASN A 24 6.762 -1.892 -8.732 1.00 0.12 H new ATOM 0 HA ASN A 24 8.337 -4.206 -8.506 1.00 0.14 H new ATOM 0 HB2 ASN A 24 7.129 -2.732 -10.843 1.00 0.16 H new ATOM 0 HB3 ASN A 24 8.108 -4.168 -11.068 1.00 0.16 H new ATOM 0 HD21 ASN A 24 4.919 -5.052 -8.624 1.00 0.15 H new ATOM 0 HD22 ASN A 24 6.104 -3.822 -8.172 1.00 0.15 H new ATOM 409 N LYS A 25 9.789 -1.501 -9.657 1.00 0.19 N ATOM 410 CA LYS A 25 11.063 -0.872 -10.044 1.00 0.25 C ATOM 411 C LYS A 25 12.120 -1.255 -9.061 1.00 0.24 C ATOM 412 O LYS A 25 13.287 -1.471 -9.398 1.00 0.30 O ATOM 413 CB LYS A 25 10.960 0.673 -10.090 1.00 0.28 C ATOM 414 CG LYS A 25 11.431 1.428 -8.827 1.00 0.25 C ATOM 415 CD LYS A 25 11.878 2.838 -9.173 1.00 0.38 C ATOM 416 CE LYS A 25 12.959 2.841 -10.243 1.00 1.18 C ATOM 417 NZ LYS A 25 13.323 4.221 -10.663 1.00 1.65 N ATOM 0 H LYS A 25 9.024 -0.838 -9.531 1.00 0.19 H new ATOM 0 HA LYS A 25 11.314 -1.224 -11.044 1.00 0.25 H new ATOM 0 HB2 LYS A 25 11.543 1.030 -10.939 1.00 0.28 H new ATOM 0 HB3 LYS A 25 9.921 0.941 -10.281 1.00 0.28 H new ATOM 0 HG2 LYS A 25 10.621 1.468 -8.099 1.00 0.25 H new ATOM 0 HG3 LYS A 25 12.253 0.886 -8.360 1.00 0.25 H new ATOM 0 HD2 LYS A 25 11.021 3.416 -9.520 1.00 0.38 H new ATOM 0 HD3 LYS A 25 12.253 3.331 -8.276 1.00 0.38 H new ATOM 0 HE2 LYS A 25 13.845 2.332 -9.865 1.00 1.18 H new ATOM 0 HE3 LYS A 25 12.613 2.278 -11.110 1.00 1.18 H new ATOM 0 HZ1 LYS A 25 14.062 4.178 -11.393 1.00 1.65 H new ATOM 0 HZ2 LYS A 25 12.484 4.699 -11.048 1.00 1.65 H new ATOM 0 HZ3 LYS A 25 13.678 4.752 -9.842 1.00 1.65 H new ATOM 431 N GLU A 26 11.678 -1.344 -7.839 1.00 0.21 N ATOM 432 CA GLU A 26 12.536 -1.683 -6.752 1.00 0.26 C ATOM 433 C GLU A 26 12.904 -3.151 -6.820 1.00 0.36 C ATOM 434 O GLU A 26 14.009 -3.554 -6.455 1.00 0.78 O ATOM 435 CB GLU A 26 11.820 -1.363 -5.454 1.00 0.23 C ATOM 436 CG GLU A 26 11.772 0.113 -5.159 1.00 0.25 C ATOM 437 CD GLU A 26 13.114 0.598 -4.653 1.00 0.44 C ATOM 438 OE1 GLU A 26 14.117 0.428 -5.370 1.00 0.68 O ATOM 439 OE2 GLU A 26 13.177 1.151 -3.536 1.00 0.55 O ATOM 0 H GLU A 26 10.707 -1.182 -7.573 1.00 0.21 H new ATOM 0 HA GLU A 26 13.459 -1.105 -6.806 1.00 0.26 H new ATOM 0 HB2 GLU A 26 10.803 -1.752 -5.501 1.00 0.23 H new ATOM 0 HB3 GLU A 26 12.320 -1.876 -4.633 1.00 0.23 H new ATOM 0 HG2 GLU A 26 11.497 0.661 -6.060 1.00 0.25 H new ATOM 0 HG3 GLU A 26 11.002 0.316 -4.415 1.00 0.25 H new ATOM 446 N GLY A 27 11.982 -3.930 -7.340 1.00 0.19 N ATOM 447 CA GLY A 27 12.109 -5.364 -7.325 1.00 0.21 C ATOM 448 C GLY A 27 10.925 -5.994 -6.638 1.00 0.25 C ATOM 449 O GLY A 27 11.009 -7.109 -6.133 1.00 0.45 O ATOM 0 H GLY A 27 11.129 -3.587 -7.782 1.00 0.19 H new ATOM 0 HA2 GLY A 27 12.186 -5.738 -8.346 1.00 0.21 H new ATOM 0 HA3 GLY A 27 13.028 -5.648 -6.812 1.00 0.21 H new ATOM 453 N TYR A 28 9.812 -5.267 -6.606 1.00 0.15 N ATOM 454 CA TYR A 28 8.635 -5.747 -5.880 1.00 0.15 C ATOM 455 C TYR A 28 7.687 -6.447 -6.836 1.00 0.14 C ATOM 456 O TYR A 28 7.994 -6.632 -8.016 1.00 0.19 O ATOM 457 CB TYR A 28 7.857 -4.604 -5.213 1.00 0.20 C ATOM 458 CG TYR A 28 8.466 -4.009 -3.959 1.00 0.34 C ATOM 459 CD1 TYR A 28 9.565 -3.171 -4.024 1.00 0.84 C ATOM 460 CD2 TYR A 28 7.897 -4.241 -2.715 1.00 0.89 C ATOM 461 CE1 TYR A 28 10.089 -2.588 -2.889 1.00 0.93 C ATOM 462 CE2 TYR A 28 8.420 -3.666 -1.574 1.00 1.04 C ATOM 463 CZ TYR A 28 9.511 -2.836 -1.669 1.00 0.75 C ATOM 464 OH TYR A 28 10.036 -2.262 -0.541 1.00 0.98 O ATOM 0 H TYR A 28 9.698 -4.362 -7.063 1.00 0.15 H new ATOM 0 HA TYR A 28 9.000 -6.427 -5.110 1.00 0.15 H new ATOM 0 HB2 TYR A 28 7.733 -3.805 -5.944 1.00 0.20 H new ATOM 0 HB3 TYR A 28 6.860 -4.969 -4.967 1.00 0.20 H new ATOM 0 HD1 TYR A 28 10.021 -2.969 -4.982 1.00 0.84 H new ATOM 0 HD2 TYR A 28 7.031 -4.882 -2.638 1.00 0.89 H new ATOM 0 HE1 TYR A 28 10.950 -1.940 -2.960 1.00 0.93 H new ATOM 0 HE2 TYR A 28 7.974 -3.868 -0.611 1.00 1.04 H new ATOM 0 HH TYR A 28 10.903 -2.671 -0.339 1.00 0.98 H new ATOM 474 N GLN A 29 6.534 -6.824 -6.317 1.00 0.14 N ATOM 475 CA GLN A 29 5.423 -7.254 -7.143 1.00 0.16 C ATOM 476 C GLN A 29 4.189 -6.500 -6.695 1.00 0.14 C ATOM 477 O GLN A 29 3.942 -6.376 -5.501 1.00 0.17 O ATOM 478 CB GLN A 29 5.182 -8.752 -7.021 1.00 0.23 C ATOM 479 CG GLN A 29 4.144 -9.265 -8.002 1.00 1.14 C ATOM 480 CD GLN A 29 3.982 -10.774 -7.964 1.00 1.32 C ATOM 481 OE1 GLN A 29 3.634 -11.393 -8.966 1.00 1.95 O ATOM 482 NE2 GLN A 29 4.227 -11.374 -6.807 1.00 0.97 N ATOM 0 H GLN A 29 6.342 -6.841 -5.315 1.00 0.14 H new ATOM 0 HA GLN A 29 5.652 -7.045 -8.188 1.00 0.16 H new ATOM 0 HB2 GLN A 29 6.121 -9.280 -7.184 1.00 0.23 H new ATOM 0 HB3 GLN A 29 4.859 -8.981 -6.005 1.00 0.23 H new ATOM 0 HG2 GLN A 29 3.184 -8.797 -7.784 1.00 1.14 H new ATOM 0 HG3 GLN A 29 4.425 -8.961 -9.010 1.00 1.14 H new ATOM 0 HE21 GLN A 29 4.514 -10.823 -5.998 1.00 0.97 H new ATOM 0 HE22 GLN A 29 4.128 -12.386 -6.726 1.00 0.97 H new ATOM 491 N THR A 30 3.418 -5.996 -7.632 1.00 0.13 N ATOM 492 CA THR A 30 2.287 -5.158 -7.287 1.00 0.12 C ATOM 493 C THR A 30 1.009 -5.661 -7.913 1.00 0.14 C ATOM 494 O THR A 30 1.020 -6.536 -8.780 1.00 0.21 O ATOM 495 CB THR A 30 2.522 -3.705 -7.724 1.00 0.11 C ATOM 496 OG1 THR A 30 3.157 -3.693 -9.001 1.00 0.13 O ATOM 497 CG2 THR A 30 3.364 -2.970 -6.705 1.00 0.10 C ATOM 0 H THR A 30 3.550 -6.149 -8.632 1.00 0.13 H new ATOM 0 HA THR A 30 2.187 -5.198 -6.202 1.00 0.12 H new ATOM 0 HB THR A 30 1.562 -3.194 -7.795 1.00 0.11 H new ATOM 0 HG1 THR A 30 2.476 -3.650 -9.705 1.00 0.13 H new ATOM 0 HG21 THR A 30 3.519 -1.942 -7.034 1.00 0.10 H new ATOM 0 HG22 THR A 30 2.853 -2.970 -5.742 1.00 0.10 H new ATOM 0 HG23 THR A 30 4.329 -3.467 -6.603 1.00 0.10 H new ATOM 505 N PHE A 31 -0.086 -5.114 -7.445 1.00 0.11 N ATOM 506 CA PHE A 31 -1.374 -5.359 -8.025 1.00 0.13 C ATOM 507 C PHE A 31 -2.202 -4.102 -7.840 1.00 0.11 C ATOM 508 O PHE A 31 -1.765 -3.168 -7.169 1.00 0.10 O ATOM 509 CB PHE A 31 -2.055 -6.569 -7.382 1.00 0.15 C ATOM 510 CG PHE A 31 -2.325 -7.694 -8.343 1.00 0.19 C ATOM 511 CD1 PHE A 31 -1.377 -8.683 -8.553 1.00 0.30 C ATOM 512 CD2 PHE A 31 -3.521 -7.762 -9.036 1.00 0.28 C ATOM 513 CE1 PHE A 31 -1.619 -9.718 -9.437 1.00 0.43 C ATOM 514 CE2 PHE A 31 -3.770 -8.794 -9.921 1.00 0.42 C ATOM 515 CZ PHE A 31 -2.830 -9.772 -10.118 1.00 0.48 C ATOM 0 H PHE A 31 -0.103 -4.482 -6.645 1.00 0.11 H new ATOM 0 HA PHE A 31 -1.270 -5.593 -9.085 1.00 0.13 H new ATOM 0 HB2 PHE A 31 -1.428 -6.939 -6.571 1.00 0.15 H new ATOM 0 HB3 PHE A 31 -2.997 -6.250 -6.936 1.00 0.15 H new ATOM 0 HD1 PHE A 31 -0.438 -8.645 -8.020 1.00 0.30 H new ATOM 0 HD2 PHE A 31 -4.270 -6.999 -8.883 1.00 0.28 H new ATOM 0 HE1 PHE A 31 -0.871 -10.481 -9.598 1.00 0.43 H new ATOM 0 HE2 PHE A 31 -4.706 -8.830 -10.458 1.00 0.42 H new ATOM 0 HZ PHE A 31 -3.030 -10.584 -10.802 1.00 0.48 H new ATOM 525 N GLN A 32 -3.388 -4.070 -8.397 1.00 0.13 N ATOM 526 CA GLN A 32 -4.160 -2.842 -8.416 1.00 0.13 C ATOM 527 C GLN A 32 -5.642 -3.104 -8.234 1.00 0.14 C ATOM 528 O GLN A 32 -6.123 -4.219 -8.418 1.00 0.18 O ATOM 529 CB GLN A 32 -3.902 -2.088 -9.714 1.00 0.15 C ATOM 530 CG GLN A 32 -4.010 -2.964 -10.941 1.00 0.17 C ATOM 531 CD GLN A 32 -3.462 -2.290 -12.179 1.00 0.56 C ATOM 532 OE1 GLN A 32 -4.192 -1.615 -12.903 1.00 1.29 O ATOM 533 NE2 GLN A 32 -2.168 -2.454 -12.419 1.00 0.44 N ATOM 0 H GLN A 32 -3.840 -4.869 -8.840 1.00 0.13 H new ATOM 0 HA GLN A 32 -3.837 -2.229 -7.575 1.00 0.13 H new ATOM 0 HB2 GLN A 32 -4.614 -1.267 -9.798 1.00 0.15 H new ATOM 0 HB3 GLN A 32 -2.907 -1.645 -9.678 1.00 0.15 H new ATOM 0 HG2 GLN A 32 -3.470 -3.895 -10.768 1.00 0.17 H new ATOM 0 HG3 GLN A 32 -5.055 -3.227 -11.106 1.00 0.17 H new ATOM 0 HE21 GLN A 32 -1.601 -3.023 -11.791 1.00 0.44 H new ATOM 0 HE22 GLN A 32 -1.740 -2.011 -13.232 1.00 0.44 H new ATOM 542 N ALA A 33 -6.343 -2.052 -7.875 1.00 0.13 N ATOM 543 CA ALA A 33 -7.757 -2.116 -7.565 1.00 0.15 C ATOM 544 C ALA A 33 -8.410 -0.794 -7.904 1.00 0.20 C ATOM 545 O ALA A 33 -7.933 0.242 -7.483 1.00 0.32 O ATOM 546 CB ALA A 33 -7.927 -2.423 -6.096 1.00 0.16 C ATOM 0 H ALA A 33 -5.945 -1.117 -7.789 1.00 0.13 H new ATOM 0 HA ALA A 33 -8.232 -2.902 -8.153 1.00 0.15 H new ATOM 0 HB1 ALA A 33 -8.989 -2.473 -5.855 1.00 0.16 H new ATOM 0 HB2 ALA A 33 -7.458 -3.380 -5.868 1.00 0.16 H new ATOM 0 HB3 ALA A 33 -7.457 -1.638 -5.503 1.00 0.16 H new ATOM 552 N ALA A 34 -9.508 -0.825 -8.644 1.00 0.29 N ATOM 553 CA ALA A 34 -10.206 0.410 -9.009 1.00 0.32 C ATOM 554 C ALA A 34 -11.107 0.856 -7.866 1.00 0.33 C ATOM 555 O ALA A 34 -11.942 1.749 -8.010 1.00 0.47 O ATOM 556 CB ALA A 34 -11.007 0.221 -10.284 1.00 0.34 C ATOM 0 H ALA A 34 -9.935 -1.679 -9.003 1.00 0.29 H new ATOM 0 HA ALA A 34 -9.465 1.188 -9.193 1.00 0.32 H new ATOM 0 HB1 ALA A 34 -11.516 1.151 -10.535 1.00 0.34 H new ATOM 0 HB2 ALA A 34 -10.336 -0.056 -11.097 1.00 0.34 H new ATOM 0 HB3 ALA A 34 -11.744 -0.568 -10.137 1.00 0.34 H new ATOM 562 N ASN A 35 -10.906 0.211 -6.729 1.00 0.40 N ATOM 563 CA ASN A 35 -11.644 0.479 -5.515 1.00 0.46 C ATOM 564 C ASN A 35 -11.038 -0.388 -4.438 1.00 0.69 C ATOM 565 O ASN A 35 -10.246 -1.274 -4.742 1.00 1.79 O ATOM 566 CB ASN A 35 -13.116 0.112 -5.665 1.00 0.36 C ATOM 567 CG ASN A 35 -14.049 1.066 -4.938 1.00 0.50 C ATOM 568 OD1 ASN A 35 -14.618 1.969 -5.547 1.00 0.96 O ATOM 569 ND2 ASN A 35 -14.198 0.894 -3.631 1.00 0.31 N ATOM 0 H ASN A 35 -10.210 -0.528 -6.626 1.00 0.40 H new ATOM 0 HA ASN A 35 -11.587 1.541 -5.277 1.00 0.46 H new ATOM 0 HB2 ASN A 35 -13.374 0.098 -6.724 1.00 0.36 H new ATOM 0 HB3 ASN A 35 -13.272 -0.898 -5.286 1.00 0.36 H new ATOM 0 HD21 ASN A 35 -14.800 1.522 -3.099 1.00 0.31 H new ATOM 0 HD22 ASN A 35 -13.710 0.133 -3.158 1.00 0.31 H new ATOM 576 N GLY A 36 -11.413 -0.179 -3.200 1.00 0.36 N ATOM 577 CA GLY A 36 -10.839 -0.986 -2.144 1.00 0.19 C ATOM 578 C GLY A 36 -11.333 -2.413 -2.222 1.00 0.13 C ATOM 579 O GLY A 36 -10.569 -3.355 -2.055 1.00 0.12 O ATOM 0 H GLY A 36 -12.092 0.520 -2.901 1.00 0.36 H new ATOM 0 HA2 GLY A 36 -9.752 -0.969 -2.219 1.00 0.19 H new ATOM 0 HA3 GLY A 36 -11.098 -0.560 -1.175 1.00 0.19 H new ATOM 583 N LEU A 37 -12.613 -2.549 -2.537 1.00 0.15 N ATOM 584 CA LEU A 37 -13.304 -3.838 -2.607 1.00 0.16 C ATOM 585 C LEU A 37 -12.629 -4.827 -3.550 1.00 0.17 C ATOM 586 O LEU A 37 -12.830 -6.035 -3.448 1.00 0.22 O ATOM 587 CB LEU A 37 -14.720 -3.577 -3.087 1.00 0.20 C ATOM 588 CG LEU A 37 -15.620 -2.871 -2.078 1.00 0.24 C ATOM 589 CD1 LEU A 37 -16.562 -1.910 -2.783 1.00 0.29 C ATOM 590 CD2 LEU A 37 -16.395 -3.897 -1.261 1.00 0.30 C ATOM 0 H LEU A 37 -13.215 -1.755 -2.756 1.00 0.15 H new ATOM 0 HA LEU A 37 -13.284 -4.289 -1.615 1.00 0.16 H new ATOM 0 HB2 LEU A 37 -14.675 -2.976 -3.995 1.00 0.20 H new ATOM 0 HB3 LEU A 37 -15.178 -4.529 -3.357 1.00 0.20 H new ATOM 0 HG LEU A 37 -14.998 -2.289 -1.398 1.00 0.24 H new ATOM 0 HD11 LEU A 37 -17.196 -1.416 -2.047 1.00 0.29 H new ATOM 0 HD12 LEU A 37 -15.982 -1.162 -3.323 1.00 0.29 H new ATOM 0 HD13 LEU A 37 -17.185 -2.462 -3.486 1.00 0.29 H new ATOM 0 HD21 LEU A 37 -17.035 -3.383 -0.544 1.00 0.30 H new ATOM 0 HD22 LEU A 37 -17.010 -4.503 -1.927 1.00 0.30 H new ATOM 0 HD23 LEU A 37 -15.696 -4.541 -0.727 1.00 0.30 H new ATOM 602 N GLN A 38 -11.819 -4.320 -4.452 1.00 0.14 N ATOM 603 CA GLN A 38 -11.213 -5.166 -5.458 1.00 0.15 C ATOM 604 C GLN A 38 -9.880 -5.668 -4.954 1.00 0.12 C ATOM 605 O GLN A 38 -9.570 -6.850 -5.069 1.00 0.14 O ATOM 606 CB GLN A 38 -11.052 -4.419 -6.779 1.00 0.21 C ATOM 607 CG GLN A 38 -11.800 -3.099 -6.808 1.00 0.22 C ATOM 608 CD GLN A 38 -12.308 -2.736 -8.187 1.00 0.59 C ATOM 609 OE1 GLN A 38 -13.301 -2.025 -8.329 1.00 1.57 O ATOM 610 NE2 GLN A 38 -11.646 -3.243 -9.208 1.00 1.03 N ATOM 0 H GLN A 38 -11.565 -3.334 -4.511 1.00 0.14 H new ATOM 0 HA GLN A 38 -11.867 -6.018 -5.645 1.00 0.15 H new ATOM 0 HB2 GLN A 38 -9.993 -4.234 -6.959 1.00 0.21 H new ATOM 0 HB3 GLN A 38 -11.408 -5.050 -7.593 1.00 0.21 H new ATOM 0 HG2 GLN A 38 -12.643 -3.150 -6.119 1.00 0.22 H new ATOM 0 HG3 GLN A 38 -11.142 -2.307 -6.449 1.00 0.22 H new ATOM 0 HE21 GLN A 38 -10.827 -3.828 -9.045 1.00 1.03 H new ATOM 0 HE22 GLN A 38 -11.953 -3.050 -10.161 1.00 1.03 H new ATOM 619 N ALA A 39 -9.099 -4.762 -4.376 1.00 0.11 N ATOM 620 CA ALA A 39 -7.895 -5.156 -3.673 1.00 0.10 C ATOM 621 C ALA A 39 -8.270 -6.083 -2.528 1.00 0.10 C ATOM 622 O ALA A 39 -7.517 -6.971 -2.158 1.00 0.11 O ATOM 623 CB ALA A 39 -7.135 -3.943 -3.151 1.00 0.11 C ATOM 0 H ALA A 39 -9.280 -3.758 -4.383 1.00 0.11 H new ATOM 0 HA ALA A 39 -7.236 -5.677 -4.368 1.00 0.10 H new ATOM 0 HB1 ALA A 39 -6.237 -4.273 -2.629 1.00 0.11 H new ATOM 0 HB2 ALA A 39 -6.854 -3.303 -3.987 1.00 0.11 H new ATOM 0 HB3 ALA A 39 -7.770 -3.384 -2.463 1.00 0.11 H new ATOM 629 N LEU A 40 -9.461 -5.864 -1.988 1.00 0.11 N ATOM 630 CA LEU A 40 -10.024 -6.717 -0.953 1.00 0.13 C ATOM 631 C LEU A 40 -10.039 -8.167 -1.418 1.00 0.13 C ATOM 632 O LEU A 40 -9.455 -9.052 -0.782 1.00 0.14 O ATOM 633 CB LEU A 40 -11.446 -6.263 -0.651 1.00 0.18 C ATOM 634 CG LEU A 40 -11.886 -6.421 0.809 1.00 0.26 C ATOM 635 CD1 LEU A 40 -13.352 -6.041 0.963 1.00 0.34 C ATOM 636 CD2 LEU A 40 -11.656 -7.839 1.309 1.00 0.40 C ATOM 0 H LEU A 40 -10.065 -5.087 -2.257 1.00 0.11 H new ATOM 0 HA LEU A 40 -9.413 -6.643 -0.054 1.00 0.13 H new ATOM 0 HB2 LEU A 40 -11.543 -5.214 -0.931 1.00 0.18 H new ATOM 0 HB3 LEU A 40 -12.132 -6.826 -1.283 1.00 0.18 H new ATOM 0 HG LEU A 40 -11.278 -5.749 1.415 1.00 0.26 H new ATOM 0 HD11 LEU A 40 -13.651 -6.158 2.005 1.00 0.34 H new ATOM 0 HD12 LEU A 40 -13.493 -5.004 0.659 1.00 0.34 H new ATOM 0 HD13 LEU A 40 -13.964 -6.689 0.335 1.00 0.34 H new ATOM 0 HD21 LEU A 40 -11.979 -7.916 2.347 1.00 0.40 H new ATOM 0 HD22 LEU A 40 -12.228 -8.537 0.699 1.00 0.40 H new ATOM 0 HD23 LEU A 40 -10.596 -8.082 1.240 1.00 0.40 H new ATOM 648 N ASP A 41 -10.708 -8.391 -2.538 1.00 0.14 N ATOM 649 CA ASP A 41 -10.778 -9.712 -3.145 1.00 0.16 C ATOM 650 C ASP A 41 -9.374 -10.234 -3.428 1.00 0.16 C ATOM 651 O ASP A 41 -9.079 -11.407 -3.221 1.00 0.19 O ATOM 652 CB ASP A 41 -11.589 -9.659 -4.443 1.00 0.21 C ATOM 653 CG ASP A 41 -11.842 -11.031 -5.039 1.00 0.87 C ATOM 654 OD1 ASP A 41 -10.997 -11.516 -5.815 1.00 1.72 O ATOM 655 OD2 ASP A 41 -12.910 -11.620 -4.750 1.00 0.93 O ATOM 0 H ASP A 41 -11.215 -7.668 -3.049 1.00 0.14 H new ATOM 0 HA ASP A 41 -11.274 -10.389 -2.450 1.00 0.16 H new ATOM 0 HB2 ASP A 41 -12.544 -9.171 -4.249 1.00 0.21 H new ATOM 0 HB3 ASP A 41 -11.060 -9.044 -5.171 1.00 0.21 H new ATOM 660 N ILE A 42 -8.496 -9.342 -3.865 1.00 0.14 N ATOM 661 CA ILE A 42 -7.125 -9.718 -4.160 1.00 0.15 C ATOM 662 C ILE A 42 -6.347 -10.033 -2.877 1.00 0.14 C ATOM 663 O ILE A 42 -5.385 -10.784 -2.908 1.00 0.17 O ATOM 664 CB ILE A 42 -6.392 -8.630 -4.974 1.00 0.16 C ATOM 665 CG1 ILE A 42 -7.169 -8.315 -6.248 1.00 0.19 C ATOM 666 CG2 ILE A 42 -4.981 -9.084 -5.324 1.00 0.18 C ATOM 667 CD1 ILE A 42 -6.632 -7.113 -6.986 1.00 0.20 C ATOM 0 H ILE A 42 -8.710 -8.357 -4.022 1.00 0.14 H new ATOM 0 HA ILE A 42 -7.170 -10.620 -4.770 1.00 0.15 H new ATOM 0 HB ILE A 42 -6.327 -7.728 -4.365 1.00 0.16 H new ATOM 0 HG12 ILE A 42 -7.140 -9.182 -6.908 1.00 0.19 H new ATOM 0 HG13 ILE A 42 -8.215 -8.141 -5.995 1.00 0.19 H new ATOM 0 HG21 ILE A 42 -4.480 -8.304 -5.898 1.00 0.18 H new ATOM 0 HG22 ILE A 42 -4.423 -9.276 -4.408 1.00 0.18 H new ATOM 0 HG23 ILE A 42 -5.029 -9.997 -5.918 1.00 0.18 H new ATOM 0 HD11 ILE A 42 -7.227 -6.941 -7.883 1.00 0.20 H new ATOM 0 HD12 ILE A 42 -6.686 -6.236 -6.341 1.00 0.20 H new ATOM 0 HD13 ILE A 42 -5.595 -7.293 -7.268 1.00 0.20 H new ATOM 679 N VAL A 43 -6.753 -9.485 -1.743 1.00 0.11 N ATOM 680 CA VAL A 43 -6.109 -9.855 -0.490 1.00 0.11 C ATOM 681 C VAL A 43 -6.549 -11.247 -0.065 1.00 0.13 C ATOM 682 O VAL A 43 -5.737 -12.048 0.383 1.00 0.15 O ATOM 683 CB VAL A 43 -6.368 -8.868 0.672 1.00 0.09 C ATOM 684 CG1 VAL A 43 -5.775 -9.419 1.960 1.00 0.17 C ATOM 685 CG2 VAL A 43 -5.774 -7.508 0.379 1.00 0.14 C ATOM 0 H VAL A 43 -7.505 -8.800 -1.661 1.00 0.11 H new ATOM 0 HA VAL A 43 -5.038 -9.827 -0.693 1.00 0.11 H new ATOM 0 HB VAL A 43 -7.446 -8.753 0.784 1.00 0.09 H new ATOM 0 HG11 VAL A 43 -5.961 -8.719 2.775 1.00 0.17 H new ATOM 0 HG12 VAL A 43 -6.238 -10.378 2.193 1.00 0.17 H new ATOM 0 HG13 VAL A 43 -4.701 -9.555 1.837 1.00 0.17 H new ATOM 0 HG21 VAL A 43 -5.973 -6.837 1.214 1.00 0.14 H new ATOM 0 HG22 VAL A 43 -4.697 -7.604 0.239 1.00 0.14 H new ATOM 0 HG23 VAL A 43 -6.223 -7.102 -0.527 1.00 0.14 H new ATOM 695 N THR A 44 -7.826 -11.544 -0.227 1.00 0.14 N ATOM 696 CA THR A 44 -8.339 -12.841 0.179 1.00 0.19 C ATOM 697 C THR A 44 -7.950 -13.921 -0.844 1.00 0.22 C ATOM 698 O THR A 44 -7.954 -15.116 -0.538 1.00 0.28 O ATOM 699 CB THR A 44 -9.875 -12.794 0.388 1.00 0.30 C ATOM 700 OG1 THR A 44 -10.303 -13.894 1.203 1.00 0.97 O ATOM 701 CG2 THR A 44 -10.625 -12.825 -0.935 1.00 0.83 C ATOM 0 H THR A 44 -8.519 -10.914 -0.631 1.00 0.14 H new ATOM 0 HA THR A 44 -7.885 -13.102 1.135 1.00 0.19 H new ATOM 0 HB THR A 44 -10.104 -11.854 0.890 1.00 0.30 H new ATOM 0 HG1 THR A 44 -11.274 -13.850 1.328 1.00 0.97 H new ATOM 0 HG21 THR A 44 -11.698 -12.791 -0.746 1.00 0.83 H new ATOM 0 HG22 THR A 44 -10.335 -11.964 -1.538 1.00 0.83 H new ATOM 0 HG23 THR A 44 -10.380 -13.742 -1.471 1.00 0.83 H new ATOM 709 N LYS A 45 -7.592 -13.493 -2.055 1.00 0.22 N ATOM 710 CA LYS A 45 -7.203 -14.430 -3.105 1.00 0.27 C ATOM 711 C LYS A 45 -5.679 -14.522 -3.257 1.00 0.27 C ATOM 712 O LYS A 45 -5.145 -15.594 -3.537 1.00 0.30 O ATOM 713 CB LYS A 45 -7.874 -14.045 -4.436 1.00 0.28 C ATOM 714 CG LYS A 45 -6.940 -13.454 -5.481 1.00 0.32 C ATOM 715 CD LYS A 45 -7.693 -13.096 -6.752 1.00 0.33 C ATOM 716 CE LYS A 45 -6.769 -12.536 -7.824 1.00 1.22 C ATOM 717 NZ LYS A 45 -5.808 -13.553 -8.332 1.00 1.64 N ATOM 0 H LYS A 45 -7.564 -12.511 -2.330 1.00 0.22 H new ATOM 0 HA LYS A 45 -7.550 -15.421 -2.814 1.00 0.27 H new ATOM 0 HB2 LYS A 45 -8.349 -14.932 -4.856 1.00 0.28 H new ATOM 0 HB3 LYS A 45 -8.667 -13.325 -4.231 1.00 0.28 H new ATOM 0 HG2 LYS A 45 -6.457 -12.564 -5.079 1.00 0.32 H new ATOM 0 HG3 LYS A 45 -6.150 -14.169 -5.712 1.00 0.32 H new ATOM 0 HD2 LYS A 45 -8.198 -13.982 -7.136 1.00 0.33 H new ATOM 0 HD3 LYS A 45 -8.466 -12.363 -6.521 1.00 0.33 H new ATOM 0 HE2 LYS A 45 -7.366 -12.158 -8.654 1.00 1.22 H new ATOM 0 HE3 LYS A 45 -6.216 -11.689 -7.417 1.00 1.22 H new ATOM 0 HZ1 LYS A 45 -5.509 -13.297 -9.295 1.00 1.64 H new ATOM 0 HZ2 LYS A 45 -4.976 -13.587 -7.708 1.00 1.64 H new ATOM 0 HZ3 LYS A 45 -6.267 -14.486 -8.348 1.00 1.64 H new ATOM 731 N GLU A 46 -4.984 -13.406 -3.061 1.00 0.27 N ATOM 732 CA GLU A 46 -3.535 -13.360 -3.254 1.00 0.30 C ATOM 733 C GLU A 46 -2.791 -13.286 -1.931 1.00 0.29 C ATOM 734 O GLU A 46 -1.707 -13.854 -1.792 1.00 0.34 O ATOM 735 CB GLU A 46 -3.144 -12.148 -4.090 1.00 0.29 C ATOM 736 CG GLU A 46 -3.616 -12.214 -5.528 1.00 0.36 C ATOM 737 CD GLU A 46 -3.024 -13.384 -6.279 1.00 0.75 C ATOM 738 OE1 GLU A 46 -1.784 -13.441 -6.402 1.00 0.59 O ATOM 739 OE2 GLU A 46 -3.798 -14.232 -6.761 1.00 1.76 O ATOM 0 H GLU A 46 -5.398 -12.521 -2.769 1.00 0.27 H new ATOM 0 HA GLU A 46 -3.258 -14.281 -3.768 1.00 0.30 H new ATOM 0 HB2 GLU A 46 -3.553 -11.251 -3.625 1.00 0.29 H new ATOM 0 HB3 GLU A 46 -2.059 -12.046 -4.079 1.00 0.29 H new ATOM 0 HG2 GLU A 46 -4.703 -12.287 -5.547 1.00 0.36 H new ATOM 0 HG3 GLU A 46 -3.350 -11.288 -6.037 1.00 0.36 H new ATOM 746 N ARG A 47 -3.383 -12.582 -0.967 1.00 0.27 N ATOM 747 CA ARG A 47 -2.715 -12.260 0.291 1.00 0.27 C ATOM 748 C ARG A 47 -1.352 -11.628 0.032 1.00 0.27 C ATOM 749 O ARG A 47 -0.309 -12.258 0.211 1.00 0.35 O ATOM 750 CB ARG A 47 -2.582 -13.493 1.183 1.00 0.32 C ATOM 751 CG ARG A 47 -3.713 -13.637 2.183 1.00 0.58 C ATOM 752 CD ARG A 47 -3.293 -13.176 3.569 1.00 1.26 C ATOM 753 NE ARG A 47 -4.326 -13.439 4.573 1.00 2.00 N ATOM 754 CZ ARG A 47 -4.278 -14.460 5.435 1.00 2.89 C ATOM 755 NH1 ARG A 47 -3.249 -15.298 5.426 1.00 3.35 N ATOM 756 NH2 ARG A 47 -5.246 -14.631 6.325 1.00 3.75 N ATOM 0 H ARG A 47 -4.334 -12.221 -1.036 1.00 0.27 H new ATOM 0 HA ARG A 47 -3.334 -11.535 0.820 1.00 0.27 H new ATOM 0 HB2 ARG A 47 -2.546 -14.384 0.556 1.00 0.32 H new ATOM 0 HB3 ARG A 47 -1.635 -13.443 1.721 1.00 0.32 H new ATOM 0 HG2 ARG A 47 -4.572 -13.054 1.849 1.00 0.58 H new ATOM 0 HG3 ARG A 47 -4.032 -14.678 2.226 1.00 0.58 H new ATOM 0 HD2 ARG A 47 -2.372 -13.683 3.856 1.00 1.26 H new ATOM 0 HD3 ARG A 47 -3.075 -12.108 3.545 1.00 1.26 H new ATOM 0 HE ARG A 47 -5.126 -12.808 4.617 1.00 2.00 H new ATOM 0 HH11 ARG A 47 -2.489 -15.165 4.759 1.00 3.35 H new ATOM 0 HH12 ARG A 47 -3.218 -16.075 6.086 1.00 3.35 H new ATOM 0 HH21 ARG A 47 -6.032 -13.982 6.354 1.00 3.75 H new ATOM 0 HH22 ARG A 47 -5.204 -15.412 6.980 1.00 3.75 H new ATOM 770 N PRO A 48 -1.364 -10.382 -0.455 1.00 0.23 N ATOM 771 CA PRO A 48 -0.149 -9.611 -0.673 1.00 0.22 C ATOM 772 C PRO A 48 0.659 -9.455 0.614 1.00 0.26 C ATOM 773 O PRO A 48 0.141 -9.664 1.708 1.00 0.44 O ATOM 774 CB PRO A 48 -0.632 -8.240 -1.156 1.00 0.18 C ATOM 775 CG PRO A 48 -2.116 -8.305 -1.276 1.00 0.19 C ATOM 776 CD PRO A 48 -2.580 -9.664 -0.845 1.00 0.34 C ATOM 0 HA PRO A 48 0.508 -10.105 -1.389 1.00 0.22 H new ATOM 0 HB2 PRO A 48 -0.338 -7.460 -0.453 1.00 0.18 H new ATOM 0 HB3 PRO A 48 -0.180 -7.991 -2.116 1.00 0.18 H new ATOM 0 HG2 PRO A 48 -2.578 -7.535 -0.658 1.00 0.19 H new ATOM 0 HG3 PRO A 48 -2.420 -8.112 -2.305 1.00 0.19 H new ATOM 0 HD2 PRO A 48 -3.280 -9.595 -0.012 1.00 0.34 H new ATOM 0 HD3 PRO A 48 -3.098 -10.178 -1.655 1.00 0.34 H new ATOM 784 N ASP A 49 1.919 -9.072 0.486 1.00 0.25 N ATOM 785 CA ASP A 49 2.766 -8.889 1.655 1.00 0.30 C ATOM 786 C ASP A 49 2.592 -7.486 2.207 1.00 0.27 C ATOM 787 O ASP A 49 2.988 -7.194 3.334 1.00 0.47 O ATOM 788 CB ASP A 49 4.238 -9.145 1.326 1.00 0.41 C ATOM 789 CG ASP A 49 4.760 -10.402 1.990 1.00 0.80 C ATOM 790 OD1 ASP A 49 5.098 -10.345 3.191 1.00 1.10 O ATOM 791 OD2 ASP A 49 4.836 -11.448 1.318 1.00 1.43 O ATOM 0 H ASP A 49 2.375 -8.883 -0.406 1.00 0.25 H new ATOM 0 HA ASP A 49 2.461 -9.615 2.408 1.00 0.30 H new ATOM 0 HB2 ASP A 49 4.358 -9.229 0.246 1.00 0.41 H new ATOM 0 HB3 ASP A 49 4.835 -8.291 1.647 1.00 0.41 H new ATOM 796 N LEU A 50 2.005 -6.621 1.391 1.00 0.17 N ATOM 797 CA LEU A 50 1.684 -5.262 1.792 1.00 0.17 C ATOM 798 C LEU A 50 0.582 -4.712 0.876 1.00 0.14 C ATOM 799 O LEU A 50 0.474 -5.107 -0.288 1.00 0.15 O ATOM 800 CB LEU A 50 2.961 -4.394 1.776 1.00 0.24 C ATOM 801 CG LEU A 50 2.785 -2.899 2.055 1.00 0.19 C ATOM 802 CD1 LEU A 50 4.017 -2.356 2.758 1.00 0.38 C ATOM 803 CD2 LEU A 50 2.562 -2.141 0.762 1.00 0.45 C ATOM 0 H LEU A 50 1.739 -6.844 0.432 1.00 0.17 H new ATOM 0 HA LEU A 50 1.303 -5.245 2.813 1.00 0.17 H new ATOM 0 HB2 LEU A 50 3.655 -4.797 2.513 1.00 0.24 H new ATOM 0 HB3 LEU A 50 3.434 -4.504 0.800 1.00 0.24 H new ATOM 0 HG LEU A 50 1.913 -2.766 2.696 1.00 0.19 H new ATOM 0 HD11 LEU A 50 3.885 -1.292 2.953 1.00 0.38 H new ATOM 0 HD12 LEU A 50 4.160 -2.883 3.701 1.00 0.38 H new ATOM 0 HD13 LEU A 50 4.892 -2.503 2.124 1.00 0.38 H new ATOM 0 HD21 LEU A 50 2.439 -1.080 0.979 1.00 0.45 H new ATOM 0 HD22 LEU A 50 3.421 -2.280 0.106 1.00 0.45 H new ATOM 0 HD23 LEU A 50 1.665 -2.517 0.270 1.00 0.45 H new ATOM 815 N VAL A 51 -0.247 -3.829 1.409 1.00 0.14 N ATOM 816 CA VAL A 51 -1.406 -3.296 0.682 1.00 0.14 C ATOM 817 C VAL A 51 -1.477 -1.779 0.808 1.00 0.17 C ATOM 818 O VAL A 51 -1.055 -1.222 1.811 1.00 0.39 O ATOM 819 CB VAL A 51 -2.728 -3.893 1.217 1.00 0.14 C ATOM 820 CG1 VAL A 51 -3.074 -5.213 0.547 1.00 0.97 C ATOM 821 CG2 VAL A 51 -2.622 -4.135 2.675 1.00 0.94 C ATOM 0 H VAL A 51 -0.143 -3.458 2.353 1.00 0.14 H new ATOM 0 HA VAL A 51 -1.279 -3.575 -0.364 1.00 0.14 H new ATOM 0 HB VAL A 51 -3.512 -3.169 0.996 1.00 0.14 H new ATOM 0 HG11 VAL A 51 -4.010 -5.594 0.955 1.00 0.97 H new ATOM 0 HG12 VAL A 51 -3.182 -5.059 -0.527 1.00 0.97 H new ATOM 0 HG13 VAL A 51 -2.278 -5.934 0.731 1.00 0.97 H new ATOM 0 HG21 VAL A 51 -3.558 -4.556 3.043 1.00 0.94 H new ATOM 0 HG22 VAL A 51 -1.809 -4.834 2.870 1.00 0.94 H new ATOM 0 HG23 VAL A 51 -2.421 -3.194 3.186 1.00 0.94 H new ATOM 831 N LEU A 52 -1.993 -1.114 -0.215 1.00 0.14 N ATOM 832 CA LEU A 52 -2.226 0.324 -0.166 1.00 0.13 C ATOM 833 C LEU A 52 -3.669 0.653 -0.534 1.00 0.14 C ATOM 834 O LEU A 52 -4.160 0.264 -1.594 1.00 0.18 O ATOM 835 CB LEU A 52 -1.282 1.090 -1.100 1.00 0.15 C ATOM 836 CG LEU A 52 -0.052 1.707 -0.428 1.00 0.17 C ATOM 837 CD1 LEU A 52 1.012 0.657 -0.178 1.00 0.20 C ATOM 838 CD2 LEU A 52 0.506 2.843 -1.269 1.00 0.25 C ATOM 0 H LEU A 52 -2.261 -1.551 -1.097 1.00 0.14 H new ATOM 0 HA LEU A 52 -2.028 0.638 0.859 1.00 0.13 H new ATOM 0 HB2 LEU A 52 -0.945 0.412 -1.884 1.00 0.15 H new ATOM 0 HB3 LEU A 52 -1.846 1.885 -1.587 1.00 0.15 H new ATOM 0 HG LEU A 52 -0.362 2.112 0.535 1.00 0.17 H new ATOM 0 HD11 LEU A 52 1.875 1.120 0.300 1.00 0.20 H new ATOM 0 HD12 LEU A 52 0.611 -0.120 0.473 1.00 0.20 H new ATOM 0 HD13 LEU A 52 1.316 0.215 -1.126 1.00 0.20 H new ATOM 0 HD21 LEU A 52 1.379 3.267 -0.774 1.00 0.25 H new ATOM 0 HD22 LEU A 52 0.794 2.463 -2.249 1.00 0.25 H new ATOM 0 HD23 LEU A 52 -0.254 3.615 -1.388 1.00 0.25 H new ATOM 850 N LEU A 53 -4.335 1.371 0.357 1.00 0.16 N ATOM 851 CA LEU A 53 -5.688 1.843 0.120 1.00 0.17 C ATOM 852 C LEU A 53 -5.684 3.356 -0.005 1.00 0.19 C ATOM 853 O LEU A 53 -5.470 4.044 0.984 1.00 0.36 O ATOM 854 CB LEU A 53 -6.615 1.499 1.292 1.00 0.21 C ATOM 855 CG LEU A 53 -6.898 0.021 1.530 1.00 0.25 C ATOM 856 CD1 LEU A 53 -7.688 -0.143 2.805 1.00 0.42 C ATOM 857 CD2 LEU A 53 -7.666 -0.582 0.368 1.00 0.53 C ATOM 0 H LEU A 53 -3.953 1.642 1.263 1.00 0.16 H new ATOM 0 HA LEU A 53 -6.043 1.361 -0.791 1.00 0.17 H new ATOM 0 HB2 LEU A 53 -6.181 1.913 2.202 1.00 0.21 H new ATOM 0 HB3 LEU A 53 -7.567 2.006 1.133 1.00 0.21 H new ATOM 0 HG LEU A 53 -5.946 -0.503 1.617 1.00 0.25 H new ATOM 0 HD11 LEU A 53 -7.890 -1.201 2.974 1.00 0.42 H new ATOM 0 HD12 LEU A 53 -7.115 0.256 3.642 1.00 0.42 H new ATOM 0 HD13 LEU A 53 -8.631 0.397 2.721 1.00 0.42 H new ATOM 0 HD21 LEU A 53 -7.854 -1.637 0.565 1.00 0.53 H new ATOM 0 HD22 LEU A 53 -8.616 -0.060 0.249 1.00 0.53 H new ATOM 0 HD23 LEU A 53 -7.081 -0.482 -0.546 1.00 0.53 H new ATOM 869 N ASP A 54 -5.912 3.892 -1.179 1.00 0.23 N ATOM 870 CA ASP A 54 -6.014 5.337 -1.290 1.00 0.23 C ATOM 871 C ASP A 54 -7.426 5.769 -0.932 1.00 0.24 C ATOM 872 O ASP A 54 -8.337 5.616 -1.721 1.00 0.29 O ATOM 873 CB ASP A 54 -5.660 5.814 -2.700 1.00 0.29 C ATOM 874 CG ASP A 54 -5.612 7.328 -2.799 1.00 0.31 C ATOM 875 OD1 ASP A 54 -5.291 7.982 -1.785 1.00 0.33 O ATOM 876 OD2 ASP A 54 -5.907 7.867 -3.885 1.00 0.35 O ATOM 0 H ASP A 54 -6.028 3.374 -2.050 1.00 0.23 H new ATOM 0 HA ASP A 54 -5.302 5.789 -0.599 1.00 0.23 H new ATOM 0 HB2 ASP A 54 -4.693 5.402 -2.989 1.00 0.29 H new ATOM 0 HB3 ASP A 54 -6.395 5.429 -3.407 1.00 0.29 H new ATOM 881 N MET A 55 -7.617 6.320 0.261 1.00 0.22 N ATOM 882 CA MET A 55 -8.941 6.795 0.669 1.00 0.25 C ATOM 883 C MET A 55 -9.248 8.096 -0.065 1.00 0.26 C ATOM 884 O MET A 55 -10.307 8.701 0.108 1.00 0.29 O ATOM 885 CB MET A 55 -9.026 6.985 2.198 1.00 0.26 C ATOM 886 CG MET A 55 -8.135 8.080 2.791 1.00 0.25 C ATOM 887 SD MET A 55 -8.827 9.745 2.634 1.00 0.68 S ATOM 888 CE MET A 55 -10.449 9.503 3.354 1.00 0.38 C ATOM 0 H MET A 55 -6.884 6.450 0.958 1.00 0.22 H new ATOM 0 HA MET A 55 -9.686 6.045 0.403 1.00 0.25 H new ATOM 0 HB2 MET A 55 -10.061 7.206 2.459 1.00 0.26 H new ATOM 0 HB3 MET A 55 -8.771 6.039 2.676 1.00 0.26 H new ATOM 0 HG2 MET A 55 -7.964 7.865 3.846 1.00 0.25 H new ATOM 0 HG3 MET A 55 -7.163 8.052 2.298 1.00 0.25 H new ATOM 0 HE1 MET A 55 -10.904 10.472 3.560 1.00 0.38 H new ATOM 0 HE2 MET A 55 -11.077 8.948 2.657 1.00 0.38 H new ATOM 0 HE3 MET A 55 -10.354 8.942 4.284 1.00 0.38 H new ATOM 898 N LYS A 56 -8.295 8.505 -0.892 1.00 0.26 N ATOM 899 CA LYS A 56 -8.408 9.694 -1.707 1.00 0.31 C ATOM 900 C LYS A 56 -8.783 9.285 -3.133 1.00 0.35 C ATOM 901 O LYS A 56 -8.967 10.125 -4.021 1.00 0.41 O ATOM 902 CB LYS A 56 -7.082 10.466 -1.642 1.00 0.35 C ATOM 903 CG LYS A 56 -7.065 11.813 -2.346 1.00 0.45 C ATOM 904 CD LYS A 56 -8.401 12.543 -2.282 1.00 0.49 C ATOM 905 CE LYS A 56 -8.951 12.646 -0.866 1.00 0.38 C ATOM 906 NZ LYS A 56 -10.164 13.502 -0.818 1.00 0.44 N ATOM 0 H LYS A 56 -7.412 8.009 -1.013 1.00 0.26 H new ATOM 0 HA LYS A 56 -9.193 10.355 -1.340 1.00 0.31 H new ATOM 0 HB2 LYS A 56 -6.825 10.622 -0.594 1.00 0.35 H new ATOM 0 HB3 LYS A 56 -6.299 9.842 -2.073 1.00 0.35 H new ATOM 0 HG2 LYS A 56 -6.294 12.440 -1.897 1.00 0.45 H new ATOM 0 HG3 LYS A 56 -6.789 11.666 -3.390 1.00 0.45 H new ATOM 0 HD2 LYS A 56 -8.282 13.545 -2.694 1.00 0.49 H new ATOM 0 HD3 LYS A 56 -9.124 12.023 -2.911 1.00 0.49 H new ATOM 0 HE2 LYS A 56 -9.191 11.650 -0.494 1.00 0.38 H new ATOM 0 HE3 LYS A 56 -8.187 13.057 -0.206 1.00 0.38 H new ATOM 0 HZ1 LYS A 56 -10.446 13.650 0.172 1.00 0.44 H new ATOM 0 HZ2 LYS A 56 -9.958 14.421 -1.260 1.00 0.44 H new ATOM 0 HZ3 LYS A 56 -10.938 13.036 -1.332 1.00 0.44 H new ATOM 920 N ILE A 57 -8.931 7.974 -3.320 1.00 0.36 N ATOM 921 CA ILE A 57 -9.325 7.407 -4.599 1.00 0.43 C ATOM 922 C ILE A 57 -10.649 8.011 -5.080 1.00 0.38 C ATOM 923 O ILE A 57 -11.539 8.314 -4.279 1.00 0.45 O ATOM 924 CB ILE A 57 -9.461 5.861 -4.509 1.00 0.57 C ATOM 925 CG1 ILE A 57 -9.732 5.247 -5.886 1.00 0.93 C ATOM 926 CG2 ILE A 57 -10.568 5.473 -3.540 1.00 0.71 C ATOM 927 CD1 ILE A 57 -9.922 3.747 -5.859 1.00 1.79 C ATOM 0 H ILE A 57 -8.780 7.280 -2.588 1.00 0.36 H new ATOM 0 HA ILE A 57 -8.542 7.649 -5.317 1.00 0.43 H new ATOM 0 HB ILE A 57 -8.514 5.469 -4.138 1.00 0.57 H new ATOM 0 HG12 ILE A 57 -10.623 5.709 -6.310 1.00 0.93 H new ATOM 0 HG13 ILE A 57 -8.902 5.487 -6.550 1.00 0.93 H new ATOM 0 HG21 ILE A 57 -10.646 4.387 -3.492 1.00 0.71 H new ATOM 0 HG22 ILE A 57 -10.338 5.864 -2.549 1.00 0.71 H new ATOM 0 HG23 ILE A 57 -11.515 5.890 -3.883 1.00 0.71 H new ATOM 0 HD11 ILE A 57 -10.109 3.386 -6.870 1.00 1.79 H new ATOM 0 HD12 ILE A 57 -9.023 3.273 -5.465 1.00 1.79 H new ATOM 0 HD13 ILE A 57 -10.771 3.499 -5.222 1.00 1.79 H new ATOM 939 N PRO A 58 -10.748 8.252 -6.394 1.00 0.34 N ATOM 940 CA PRO A 58 -11.979 8.640 -7.079 1.00 0.31 C ATOM 941 C PRO A 58 -13.246 7.993 -6.502 1.00 0.41 C ATOM 942 O PRO A 58 -14.245 8.677 -6.269 1.00 1.18 O ATOM 943 CB PRO A 58 -11.733 8.150 -8.518 1.00 0.46 C ATOM 944 CG PRO A 58 -10.310 7.679 -8.563 1.00 0.70 C ATOM 945 CD PRO A 58 -9.638 8.213 -7.339 1.00 0.41 C ATOM 0 HA PRO A 58 -12.167 9.709 -6.983 1.00 0.31 H new ATOM 0 HB2 PRO A 58 -12.418 7.343 -8.777 1.00 0.46 H new ATOM 0 HB3 PRO A 58 -11.900 8.953 -9.236 1.00 0.46 H new ATOM 0 HG2 PRO A 58 -10.264 6.590 -8.585 1.00 0.70 H new ATOM 0 HG3 PRO A 58 -9.813 8.037 -9.464 1.00 0.70 H new ATOM 0 HD2 PRO A 58 -8.831 7.565 -6.998 1.00 0.41 H new ATOM 0 HD3 PRO A 58 -9.206 9.200 -7.505 1.00 0.41 H new ATOM 953 N GLY A 59 -13.203 6.688 -6.259 1.00 0.86 N ATOM 954 CA GLY A 59 -14.385 5.989 -5.786 1.00 0.93 C ATOM 955 C GLY A 59 -14.204 5.368 -4.414 1.00 0.80 C ATOM 956 O GLY A 59 -13.392 4.457 -4.245 1.00 1.71 O ATOM 0 H GLY A 59 -12.376 6.103 -6.380 1.00 0.86 H new ATOM 0 HA2 GLY A 59 -15.223 6.686 -5.755 1.00 0.93 H new ATOM 0 HA3 GLY A 59 -14.647 5.208 -6.500 1.00 0.93 H new ATOM 960 N MET A 60 -14.975 5.865 -3.442 1.00 0.77 N ATOM 961 CA MET A 60 -14.972 5.343 -2.070 1.00 0.49 C ATOM 962 C MET A 60 -13.630 5.576 -1.383 1.00 0.60 C ATOM 963 O MET A 60 -12.855 6.437 -1.788 1.00 1.30 O ATOM 964 CB MET A 60 -15.307 3.846 -2.054 1.00 0.65 C ATOM 965 CG MET A 60 -16.683 3.513 -2.605 1.00 0.83 C ATOM 966 SD MET A 60 -17.059 1.750 -2.516 1.00 1.92 S ATOM 967 CE MET A 60 -17.099 1.510 -0.742 1.00 2.52 C ATOM 0 H MET A 60 -15.620 6.642 -3.584 1.00 0.77 H new ATOM 0 HA MET A 60 -15.739 5.887 -1.519 1.00 0.49 H new ATOM 0 HB2 MET A 60 -14.556 3.310 -2.634 1.00 0.65 H new ATOM 0 HB3 MET A 60 -15.239 3.480 -1.029 1.00 0.65 H new ATOM 0 HG2 MET A 60 -17.437 4.070 -2.049 1.00 0.83 H new ATOM 0 HG3 MET A 60 -16.744 3.842 -3.642 1.00 0.83 H new ATOM 0 HE1 MET A 60 -17.667 0.609 -0.509 1.00 2.52 H new ATOM 0 HE2 MET A 60 -16.081 1.405 -0.366 1.00 2.52 H new ATOM 0 HE3 MET A 60 -17.574 2.370 -0.269 1.00 2.52 H new ATOM 977 N ASP A 61 -13.392 4.831 -0.309 1.00 0.36 N ATOM 978 CA ASP A 61 -12.112 4.868 0.396 1.00 0.35 C ATOM 979 C ASP A 61 -11.451 3.519 0.390 1.00 0.47 C ATOM 980 O ASP A 61 -10.316 3.343 -0.047 1.00 1.11 O ATOM 981 CB ASP A 61 -12.279 5.358 1.849 1.00 0.42 C ATOM 982 CG ASP A 61 -13.586 4.929 2.501 1.00 0.68 C ATOM 983 OD1 ASP A 61 -13.942 3.737 2.393 1.00 1.07 O ATOM 984 OD2 ASP A 61 -14.267 5.778 3.119 1.00 0.99 O ATOM 0 H ASP A 61 -14.073 4.189 0.096 1.00 0.36 H new ATOM 0 HA ASP A 61 -11.476 5.576 -0.136 1.00 0.35 H new ATOM 0 HB2 ASP A 61 -11.447 4.984 2.446 1.00 0.42 H new ATOM 0 HB3 ASP A 61 -12.218 6.446 1.864 1.00 0.42 H new ATOM 989 N GLY A 62 -12.186 2.588 0.885 1.00 0.36 N ATOM 990 CA GLY A 62 -11.689 1.261 1.086 1.00 0.32 C ATOM 991 C GLY A 62 -11.389 1.049 2.544 1.00 0.29 C ATOM 992 O GLY A 62 -10.704 0.107 2.919 1.00 0.31 O ATOM 0 H GLY A 62 -13.158 2.720 1.166 1.00 0.36 H new ATOM 0 HA2 GLY A 62 -12.424 0.531 0.746 1.00 0.32 H new ATOM 0 HA3 GLY A 62 -10.788 1.106 0.493 1.00 0.32 H new ATOM 996 N ILE A 63 -11.912 1.938 3.377 1.00 0.28 N ATOM 997 CA ILE A 63 -11.645 1.869 4.804 1.00 0.29 C ATOM 998 C ILE A 63 -12.229 0.584 5.409 1.00 0.29 C ATOM 999 O ILE A 63 -11.511 -0.219 6.010 1.00 0.31 O ATOM 1000 CB ILE A 63 -12.200 3.092 5.562 1.00 0.30 C ATOM 1001 CG1 ILE A 63 -11.385 4.364 5.267 1.00 0.34 C ATOM 1002 CG2 ILE A 63 -12.221 2.824 7.061 1.00 0.41 C ATOM 1003 CD1 ILE A 63 -10.197 4.172 4.344 1.00 0.52 C ATOM 0 H ILE A 63 -12.518 2.708 3.092 1.00 0.28 H new ATOM 0 HA ILE A 63 -10.561 1.865 4.917 1.00 0.29 H new ATOM 0 HB ILE A 63 -13.219 3.258 5.212 1.00 0.30 H new ATOM 0 HG12 ILE A 63 -12.049 5.108 4.827 1.00 0.34 H new ATOM 0 HG13 ILE A 63 -11.028 4.774 6.212 1.00 0.34 H new ATOM 0 HG21 ILE A 63 -12.615 3.697 7.581 1.00 0.41 H new ATOM 0 HG22 ILE A 63 -12.855 1.962 7.268 1.00 0.41 H new ATOM 0 HG23 ILE A 63 -11.208 2.621 7.409 1.00 0.41 H new ATOM 0 HD11 ILE A 63 -9.690 5.126 4.200 1.00 0.52 H new ATOM 0 HD12 ILE A 63 -9.504 3.456 4.787 1.00 0.52 H new ATOM 0 HD13 ILE A 63 -10.542 3.795 3.381 1.00 0.52 H new ATOM 1015 N GLU A 64 -13.541 0.391 5.228 1.00 0.31 N ATOM 1016 CA GLU A 64 -14.214 -0.847 5.642 1.00 0.35 C ATOM 1017 C GLU A 64 -13.631 -2.030 4.882 1.00 0.29 C ATOM 1018 O GLU A 64 -13.841 -3.183 5.238 1.00 0.28 O ATOM 1019 CB GLU A 64 -15.716 -0.761 5.374 1.00 0.46 C ATOM 1020 CG GLU A 64 -16.403 0.386 6.091 1.00 0.73 C ATOM 1021 CD GLU A 64 -17.912 0.295 6.001 1.00 1.14 C ATOM 1022 OE1 GLU A 64 -18.487 0.780 5.004 1.00 1.63 O ATOM 1023 OE2 GLU A 64 -18.529 -0.285 6.918 1.00 1.69 O ATOM 0 H GLU A 64 -14.159 1.078 4.797 1.00 0.31 H new ATOM 0 HA GLU A 64 -14.056 -0.983 6.712 1.00 0.35 H new ATOM 0 HB2 GLU A 64 -15.878 -0.656 4.301 1.00 0.46 H new ATOM 0 HB3 GLU A 64 -16.184 -1.698 5.677 1.00 0.46 H new ATOM 0 HG2 GLU A 64 -16.103 0.389 7.139 1.00 0.73 H new ATOM 0 HG3 GLU A 64 -16.071 1.331 5.662 1.00 0.73 H new ATOM 1030 N ILE A 65 -12.890 -1.729 3.832 1.00 0.26 N ATOM 1031 CA ILE A 65 -12.216 -2.749 3.061 1.00 0.24 C ATOM 1032 C ILE A 65 -11.016 -3.278 3.834 1.00 0.24 C ATOM 1033 O ILE A 65 -10.860 -4.483 3.979 1.00 0.24 O ATOM 1034 CB ILE A 65 -11.768 -2.205 1.696 1.00 0.23 C ATOM 1035 CG1 ILE A 65 -12.984 -1.752 0.884 1.00 0.38 C ATOM 1036 CG2 ILE A 65 -10.949 -3.236 0.946 1.00 0.26 C ATOM 1037 CD1 ILE A 65 -14.149 -2.708 0.944 1.00 0.50 C ATOM 0 H ILE A 65 -12.741 -0.778 3.494 1.00 0.26 H new ATOM 0 HA ILE A 65 -12.918 -3.564 2.886 1.00 0.24 H new ATOM 0 HB ILE A 65 -11.127 -1.338 1.857 1.00 0.23 H new ATOM 0 HG12 ILE A 65 -13.308 -0.777 1.247 1.00 0.38 H new ATOM 0 HG13 ILE A 65 -12.686 -1.622 -0.156 1.00 0.38 H new ATOM 0 HG21 ILE A 65 -10.644 -2.827 -0.017 1.00 0.26 H new ATOM 0 HG22 ILE A 65 -10.064 -3.492 1.529 1.00 0.26 H new ATOM 0 HG23 ILE A 65 -11.549 -4.132 0.786 1.00 0.26 H new ATOM 0 HD11 ILE A 65 -14.971 -2.318 0.344 1.00 0.50 H new ATOM 0 HD12 ILE A 65 -13.844 -3.679 0.553 1.00 0.50 H new ATOM 0 HD13 ILE A 65 -14.475 -2.820 1.978 1.00 0.50 H new ATOM 1049 N ALA A 66 -10.186 -2.370 4.351 1.00 0.25 N ATOM 1050 CA ALA A 66 -9.092 -2.754 5.244 1.00 0.26 C ATOM 1051 C ALA A 66 -9.659 -3.408 6.485 1.00 0.24 C ATOM 1052 O ALA A 66 -9.016 -4.219 7.126 1.00 0.26 O ATOM 1053 CB ALA A 66 -8.259 -1.549 5.647 1.00 0.28 C ATOM 0 H ALA A 66 -10.250 -1.369 4.168 1.00 0.25 H new ATOM 0 HA ALA A 66 -8.448 -3.453 4.711 1.00 0.26 H new ATOM 0 HB1 ALA A 66 -7.455 -1.868 6.310 1.00 0.28 H new ATOM 0 HB2 ALA A 66 -7.833 -1.087 4.756 1.00 0.28 H new ATOM 0 HB3 ALA A 66 -8.891 -0.827 6.164 1.00 0.28 H new ATOM 1059 N LYS A 67 -10.873 -3.016 6.813 1.00 0.23 N ATOM 1060 CA LYS A 67 -11.628 -3.608 7.901 1.00 0.23 C ATOM 1061 C LYS A 67 -11.959 -5.075 7.610 1.00 0.24 C ATOM 1062 O LYS A 67 -11.859 -5.932 8.479 1.00 0.29 O ATOM 1063 CB LYS A 67 -12.882 -2.759 8.091 1.00 0.26 C ATOM 1064 CG LYS A 67 -14.166 -3.506 8.366 1.00 0.38 C ATOM 1065 CD LYS A 67 -14.353 -3.760 9.846 1.00 0.41 C ATOM 1066 CE LYS A 67 -15.694 -3.226 10.308 1.00 0.72 C ATOM 1067 NZ LYS A 67 -15.886 -3.389 11.774 1.00 1.05 N ATOM 0 H LYS A 67 -11.370 -2.269 6.327 1.00 0.23 H new ATOM 0 HA LYS A 67 -11.044 -3.616 8.821 1.00 0.23 H new ATOM 0 HB2 LYS A 67 -12.705 -2.069 8.916 1.00 0.26 H new ATOM 0 HB3 LYS A 67 -13.024 -2.155 7.195 1.00 0.26 H new ATOM 0 HG2 LYS A 67 -15.011 -2.933 7.984 1.00 0.38 H new ATOM 0 HG3 LYS A 67 -14.158 -4.456 7.831 1.00 0.38 H new ATOM 0 HD2 LYS A 67 -14.291 -4.829 10.049 1.00 0.41 H new ATOM 0 HD3 LYS A 67 -13.551 -3.282 10.408 1.00 0.41 H new ATOM 0 HE2 LYS A 67 -15.773 -2.170 10.048 1.00 0.72 H new ATOM 0 HE3 LYS A 67 -16.493 -3.745 9.778 1.00 0.72 H new ATOM 0 HZ1 LYS A 67 -16.816 -3.011 12.047 1.00 1.05 H new ATOM 0 HZ2 LYS A 67 -15.837 -4.398 12.020 1.00 1.05 H new ATOM 0 HZ3 LYS A 67 -15.140 -2.872 12.281 1.00 1.05 H new ATOM 1081 N ARG A 68 -12.338 -5.365 6.381 1.00 0.22 N ATOM 1082 CA ARG A 68 -12.624 -6.735 5.981 1.00 0.23 C ATOM 1083 C ARG A 68 -11.326 -7.473 5.709 1.00 0.24 C ATOM 1084 O ARG A 68 -11.239 -8.692 5.839 1.00 0.29 O ATOM 1085 CB ARG A 68 -13.529 -6.725 4.757 1.00 0.25 C ATOM 1086 CG ARG A 68 -14.847 -6.045 5.051 1.00 0.28 C ATOM 1087 CD ARG A 68 -15.492 -5.462 3.806 1.00 0.30 C ATOM 1088 NE ARG A 68 -16.569 -4.538 4.162 1.00 0.84 N ATOM 1089 CZ ARG A 68 -17.526 -4.134 3.329 1.00 0.93 C ATOM 1090 NH1 ARG A 68 -17.596 -4.618 2.098 1.00 0.68 N ATOM 1091 NH2 ARG A 68 -18.432 -3.256 3.740 1.00 1.58 N ATOM 0 H ARG A 68 -12.456 -4.674 5.640 1.00 0.22 H new ATOM 0 HA ARG A 68 -13.142 -7.258 6.784 1.00 0.23 H new ATOM 0 HB2 ARG A 68 -13.028 -6.211 3.936 1.00 0.25 H new ATOM 0 HB3 ARG A 68 -13.711 -7.748 4.429 1.00 0.25 H new ATOM 0 HG2 ARG A 68 -15.529 -6.763 5.507 1.00 0.28 H new ATOM 0 HG3 ARG A 68 -14.687 -5.250 5.780 1.00 0.28 H new ATOM 0 HD2 ARG A 68 -14.741 -4.941 3.212 1.00 0.30 H new ATOM 0 HD3 ARG A 68 -15.887 -6.266 3.185 1.00 0.30 H new ATOM 0 HE ARG A 68 -16.588 -4.178 5.116 1.00 0.84 H new ATOM 0 HH11 ARG A 68 -16.913 -5.306 1.781 1.00 0.68 H new ATOM 0 HH12 ARG A 68 -18.333 -4.302 1.467 1.00 0.68 H new ATOM 0 HH21 ARG A 68 -18.394 -2.892 4.692 1.00 1.58 H new ATOM 0 HH22 ARG A 68 -19.166 -2.945 3.104 1.00 1.58 H new ATOM 1105 N MET A 69 -10.311 -6.712 5.360 1.00 0.23 N ATOM 1106 CA MET A 69 -8.972 -7.235 5.207 1.00 0.26 C ATOM 1107 C MET A 69 -8.344 -7.461 6.583 1.00 0.18 C ATOM 1108 O MET A 69 -7.472 -8.310 6.741 1.00 0.19 O ATOM 1109 CB MET A 69 -8.126 -6.274 4.364 1.00 0.42 C ATOM 1110 CG MET A 69 -8.475 -6.273 2.874 1.00 0.60 C ATOM 1111 SD MET A 69 -8.028 -4.731 2.051 1.00 2.21 S ATOM 1112 CE MET A 69 -6.286 -4.617 2.435 1.00 3.06 C ATOM 0 H MET A 69 -10.392 -5.712 5.174 1.00 0.23 H new ATOM 0 HA MET A 69 -9.013 -8.193 4.688 1.00 0.26 H new ATOM 0 HB2 MET A 69 -8.247 -5.264 4.755 1.00 0.42 H new ATOM 0 HB3 MET A 69 -7.074 -6.537 4.479 1.00 0.42 H new ATOM 0 HG2 MET A 69 -7.963 -7.102 2.385 1.00 0.60 H new ATOM 0 HG3 MET A 69 -9.545 -6.445 2.756 1.00 0.60 H new ATOM 0 HE1 MET A 69 -5.740 -4.287 1.552 1.00 3.06 H new ATOM 0 HE2 MET A 69 -6.138 -3.900 3.242 1.00 3.06 H new ATOM 0 HE3 MET A 69 -5.917 -5.595 2.746 1.00 3.06 H new ATOM 1122 N LYS A 70 -8.796 -6.714 7.590 1.00 0.19 N ATOM 1123 CA LYS A 70 -8.370 -6.978 8.956 1.00 0.20 C ATOM 1124 C LYS A 70 -9.195 -8.119 9.524 1.00 0.19 C ATOM 1125 O LYS A 70 -8.805 -8.774 10.486 1.00 0.23 O ATOM 1126 CB LYS A 70 -8.448 -5.749 9.876 1.00 0.27 C ATOM 1127 CG LYS A 70 -9.823 -5.485 10.452 1.00 0.34 C ATOM 1128 CD LYS A 70 -9.763 -5.079 11.917 1.00 0.40 C ATOM 1129 CE LYS A 70 -9.235 -6.210 12.786 1.00 0.47 C ATOM 1130 NZ LYS A 70 -9.280 -5.867 14.232 1.00 0.75 N ATOM 0 H LYS A 70 -9.446 -5.935 7.485 1.00 0.19 H new ATOM 0 HA LYS A 70 -7.315 -7.251 8.916 1.00 0.20 H new ATOM 0 HB2 LYS A 70 -7.743 -5.879 10.697 1.00 0.27 H new ATOM 0 HB3 LYS A 70 -8.127 -4.870 9.316 1.00 0.27 H new ATOM 0 HG2 LYS A 70 -10.311 -4.697 9.878 1.00 0.34 H new ATOM 0 HG3 LYS A 70 -10.436 -6.380 10.349 1.00 0.34 H new ATOM 0 HD2 LYS A 70 -9.122 -4.204 12.028 1.00 0.40 H new ATOM 0 HD3 LYS A 70 -10.758 -4.791 12.257 1.00 0.40 H new ATOM 0 HE2 LYS A 70 -9.824 -7.110 12.608 1.00 0.47 H new ATOM 0 HE3 LYS A 70 -8.209 -6.439 12.499 1.00 0.47 H new ATOM 0 HZ1 LYS A 70 -8.912 -6.664 14.789 1.00 0.75 H new ATOM 0 HZ2 LYS A 70 -8.697 -5.023 14.407 1.00 0.75 H new ATOM 0 HZ3 LYS A 70 -10.263 -5.673 14.512 1.00 0.75 H new ATOM 1144 N VAL A 71 -10.343 -8.349 8.924 1.00 0.19 N ATOM 1145 CA VAL A 71 -11.103 -9.545 9.208 1.00 0.23 C ATOM 1146 C VAL A 71 -10.437 -10.742 8.527 1.00 0.27 C ATOM 1147 O VAL A 71 -10.465 -11.865 9.036 1.00 0.32 O ATOM 1148 CB VAL A 71 -12.576 -9.387 8.753 1.00 0.25 C ATOM 1149 CG1 VAL A 71 -13.291 -10.731 8.684 1.00 0.32 C ATOM 1150 CG2 VAL A 71 -13.315 -8.450 9.695 1.00 0.25 C ATOM 0 H VAL A 71 -10.769 -7.725 8.239 1.00 0.19 H new ATOM 0 HA VAL A 71 -11.115 -9.714 10.285 1.00 0.23 H new ATOM 0 HB VAL A 71 -12.570 -8.962 7.749 1.00 0.25 H new ATOM 0 HG11 VAL A 71 -14.321 -10.579 8.361 1.00 0.32 H new ATOM 0 HG12 VAL A 71 -12.780 -11.379 7.972 1.00 0.32 H new ATOM 0 HG13 VAL A 71 -13.284 -11.198 9.669 1.00 0.32 H new ATOM 0 HG21 VAL A 71 -14.349 -8.345 9.367 1.00 0.25 H new ATOM 0 HG22 VAL A 71 -13.294 -8.859 10.705 1.00 0.25 H new ATOM 0 HG23 VAL A 71 -12.832 -7.473 9.689 1.00 0.25 H new ATOM 1160 N ILE A 72 -9.791 -10.479 7.396 1.00 0.25 N ATOM 1161 CA ILE A 72 -9.153 -11.529 6.615 1.00 0.30 C ATOM 1162 C ILE A 72 -7.738 -11.865 7.130 1.00 0.29 C ATOM 1163 O ILE A 72 -7.340 -13.029 7.123 1.00 0.40 O ATOM 1164 CB ILE A 72 -9.126 -11.147 5.105 1.00 0.34 C ATOM 1165 CG1 ILE A 72 -9.522 -12.348 4.244 1.00 0.59 C ATOM 1166 CG2 ILE A 72 -7.767 -10.623 4.670 1.00 0.33 C ATOM 1167 CD1 ILE A 72 -10.898 -12.891 4.559 1.00 1.11 C ATOM 0 H ILE A 72 -9.696 -9.544 7.000 1.00 0.25 H new ATOM 0 HA ILE A 72 -9.752 -12.432 6.734 1.00 0.30 H new ATOM 0 HB ILE A 72 -9.850 -10.344 4.964 1.00 0.34 H new ATOM 0 HG12 ILE A 72 -9.486 -12.059 3.194 1.00 0.59 H new ATOM 0 HG13 ILE A 72 -8.787 -13.141 4.382 1.00 0.59 H new ATOM 0 HG21 ILE A 72 -7.797 -10.370 3.610 1.00 0.33 H new ATOM 0 HG22 ILE A 72 -7.518 -9.734 5.249 1.00 0.33 H new ATOM 0 HG23 ILE A 72 -7.011 -11.389 4.839 1.00 0.33 H new ATOM 0 HD11 ILE A 72 -11.111 -13.741 3.910 1.00 1.11 H new ATOM 0 HD12 ILE A 72 -10.933 -13.212 5.600 1.00 1.11 H new ATOM 0 HD13 ILE A 72 -11.643 -12.113 4.394 1.00 1.11 H new ATOM 1179 N ASP A 73 -6.985 -10.856 7.578 1.00 0.21 N ATOM 1180 CA ASP A 73 -5.611 -11.071 8.065 1.00 0.21 C ATOM 1181 C ASP A 73 -5.283 -10.119 9.210 1.00 0.22 C ATOM 1182 O ASP A 73 -4.253 -10.244 9.875 1.00 0.26 O ATOM 1183 CB ASP A 73 -4.608 -10.828 6.933 1.00 0.23 C ATOM 1184 CG ASP A 73 -3.189 -11.228 7.307 1.00 0.30 C ATOM 1185 OD1 ASP A 73 -2.912 -12.441 7.420 1.00 0.48 O ATOM 1186 OD2 ASP A 73 -2.346 -10.330 7.500 1.00 0.29 O ATOM 0 H ASP A 73 -7.298 -9.886 7.615 1.00 0.21 H new ATOM 0 HA ASP A 73 -5.542 -12.100 8.418 1.00 0.21 H new ATOM 0 HB2 ASP A 73 -4.919 -11.389 6.052 1.00 0.23 H new ATOM 0 HB3 ASP A 73 -4.623 -9.773 6.660 1.00 0.23 H new ATOM 1191 N GLU A 74 -6.195 -9.189 9.441 1.00 0.22 N ATOM 1192 CA GLU A 74 -5.970 -8.034 10.306 1.00 0.35 C ATOM 1193 C GLU A 74 -4.932 -7.100 9.703 1.00 0.43 C ATOM 1194 O GLU A 74 -5.275 -6.105 9.081 1.00 0.98 O ATOM 1195 CB GLU A 74 -5.578 -8.417 11.733 1.00 0.44 C ATOM 1196 CG GLU A 74 -5.642 -7.224 12.672 1.00 0.62 C ATOM 1197 CD GLU A 74 -5.008 -7.484 14.019 1.00 0.80 C ATOM 1198 OE1 GLU A 74 -3.767 -7.594 14.088 1.00 0.92 O ATOM 1199 OE2 GLU A 74 -5.750 -7.599 15.011 1.00 1.00 O ATOM 0 H GLU A 74 -7.128 -9.212 9.028 1.00 0.22 H new ATOM 0 HA GLU A 74 -6.925 -7.514 10.373 1.00 0.35 H new ATOM 0 HB2 GLU A 74 -6.243 -9.201 12.095 1.00 0.44 H new ATOM 0 HB3 GLU A 74 -4.569 -8.828 11.735 1.00 0.44 H new ATOM 0 HG2 GLU A 74 -5.145 -6.375 12.203 1.00 0.62 H new ATOM 0 HG3 GLU A 74 -6.685 -6.942 12.818 1.00 0.62 H new ATOM 1206 N ASN A 75 -3.683 -7.486 9.792 1.00 0.18 N ATOM 1207 CA ASN A 75 -2.577 -6.584 9.537 1.00 0.22 C ATOM 1208 C ASN A 75 -1.850 -7.029 8.297 1.00 0.19 C ATOM 1209 O ASN A 75 -0.646 -7.282 8.302 1.00 0.24 O ATOM 1210 CB ASN A 75 -1.618 -6.522 10.732 1.00 0.31 C ATOM 1211 CG ASN A 75 -1.231 -7.893 11.254 1.00 0.35 C ATOM 1212 OD1 ASN A 75 -0.249 -8.494 10.816 1.00 0.41 O ATOM 1213 ND2 ASN A 75 -1.995 -8.394 12.206 1.00 0.37 N ATOM 0 H ASN A 75 -3.400 -8.433 10.043 1.00 0.18 H new ATOM 0 HA ASN A 75 -2.973 -5.580 9.387 1.00 0.22 H new ATOM 0 HB2 ASN A 75 -0.717 -5.983 10.440 1.00 0.31 H new ATOM 0 HB3 ASN A 75 -2.084 -5.952 11.536 1.00 0.31 H new ATOM 0 HD21 ASN A 75 -1.780 -9.308 12.604 1.00 0.37 H new ATOM 0 HD22 ASN A 75 -2.800 -7.867 12.544 1.00 0.37 H new ATOM 1220 N ILE A 76 -2.616 -7.108 7.228 1.00 0.21 N ATOM 1221 CA ILE A 76 -2.102 -7.447 5.901 1.00 0.23 C ATOM 1222 C ILE A 76 -1.195 -6.320 5.364 1.00 0.21 C ATOM 1223 O ILE A 76 -0.922 -6.230 4.167 1.00 0.27 O ATOM 1224 CB ILE A 76 -3.275 -7.751 4.925 1.00 0.30 C ATOM 1225 CG1 ILE A 76 -2.768 -8.355 3.613 1.00 0.49 C ATOM 1226 CG2 ILE A 76 -4.098 -6.505 4.645 1.00 0.35 C ATOM 1227 CD1 ILE A 76 -2.110 -9.704 3.788 1.00 0.83 C ATOM 0 H ILE A 76 -3.622 -6.939 7.248 1.00 0.21 H new ATOM 0 HA ILE A 76 -1.494 -8.348 5.981 1.00 0.23 H new ATOM 0 HB ILE A 76 -3.917 -8.484 5.414 1.00 0.30 H new ATOM 0 HG12 ILE A 76 -3.604 -8.454 2.920 1.00 0.49 H new ATOM 0 HG13 ILE A 76 -2.055 -7.668 3.157 1.00 0.49 H new ATOM 0 HG21 ILE A 76 -4.909 -6.751 3.960 1.00 0.35 H new ATOM 0 HG22 ILE A 76 -4.514 -6.126 5.579 1.00 0.35 H new ATOM 0 HG23 ILE A 76 -3.462 -5.742 4.195 1.00 0.35 H new ATOM 0 HD11 ILE A 76 -1.774 -10.074 2.819 1.00 0.83 H new ATOM 0 HD12 ILE A 76 -1.254 -9.607 4.456 1.00 0.83 H new ATOM 0 HD13 ILE A 76 -2.826 -10.406 4.216 1.00 0.83 H new ATOM 1239 N ARG A 77 -0.721 -5.478 6.289 1.00 0.20 N ATOM 1240 CA ARG A 77 0.255 -4.434 6.005 1.00 0.19 C ATOM 1241 C ARG A 77 -0.346 -3.348 5.134 1.00 0.16 C ATOM 1242 O ARG A 77 0.210 -3.003 4.093 1.00 0.16 O ATOM 1243 CB ARG A 77 1.484 -5.012 5.303 1.00 0.26 C ATOM 1244 CG ARG A 77 2.177 -6.141 6.054 1.00 0.31 C ATOM 1245 CD ARG A 77 2.600 -5.728 7.454 1.00 0.39 C ATOM 1246 NE ARG A 77 3.555 -6.670 8.032 1.00 0.74 N ATOM 1247 CZ ARG A 77 3.221 -7.704 8.806 1.00 1.32 C ATOM 1248 NH1 ARG A 77 1.945 -7.977 9.054 1.00 1.92 N ATOM 1249 NH2 ARG A 77 4.167 -8.485 9.311 1.00 1.62 N ATOM 0 H ARG A 77 -1.012 -5.507 7.266 1.00 0.20 H new ATOM 0 HA ARG A 77 0.554 -4.003 6.961 1.00 0.19 H new ATOM 0 HB2 ARG A 77 1.185 -5.378 4.321 1.00 0.26 H new ATOM 0 HB3 ARG A 77 2.203 -4.209 5.139 1.00 0.26 H new ATOM 0 HG2 ARG A 77 1.506 -6.998 6.117 1.00 0.31 H new ATOM 0 HG3 ARG A 77 3.054 -6.464 5.492 1.00 0.31 H new ATOM 0 HD2 ARG A 77 3.045 -4.734 7.421 1.00 0.39 H new ATOM 0 HD3 ARG A 77 1.721 -5.662 8.095 1.00 0.39 H new ATOM 0 HE ARG A 77 4.545 -6.528 7.830 1.00 0.74 H new ATOM 0 HH11 ARG A 77 1.211 -7.394 8.651 1.00 1.92 H new ATOM 0 HH12 ARG A 77 1.699 -8.770 9.647 1.00 1.92 H new ATOM 0 HH21 ARG A 77 5.148 -8.295 9.107 1.00 1.62 H new ATOM 0 HH22 ARG A 77 3.913 -9.276 9.903 1.00 1.62 H new ATOM 1263 N VAL A 78 -1.476 -2.803 5.549 1.00 0.17 N ATOM 1264 CA VAL A 78 -2.150 -1.810 4.731 1.00 0.17 C ATOM 1265 C VAL A 78 -1.553 -0.416 4.919 1.00 0.16 C ATOM 1266 O VAL A 78 -1.084 -0.060 5.994 1.00 0.23 O ATOM 1267 CB VAL A 78 -3.664 -1.742 5.003 1.00 0.18 C ATOM 1268 CG1 VAL A 78 -4.403 -1.230 3.776 1.00 0.40 C ATOM 1269 CG2 VAL A 78 -4.221 -3.082 5.456 1.00 0.35 C ATOM 0 H VAL A 78 -1.939 -3.025 6.430 1.00 0.17 H new ATOM 0 HA VAL A 78 -1.997 -2.135 3.702 1.00 0.17 H new ATOM 0 HB VAL A 78 -3.820 -1.039 5.821 1.00 0.18 H new ATOM 0 HG11 VAL A 78 -5.472 -1.188 3.986 1.00 0.40 H new ATOM 0 HG12 VAL A 78 -4.043 -0.232 3.525 1.00 0.40 H new ATOM 0 HG13 VAL A 78 -4.224 -1.902 2.937 1.00 0.40 H new ATOM 0 HG21 VAL A 78 -5.292 -2.989 5.637 1.00 0.35 H new ATOM 0 HG22 VAL A 78 -4.048 -3.829 4.681 1.00 0.35 H new ATOM 0 HG23 VAL A 78 -3.724 -3.391 6.375 1.00 0.35 H new ATOM 1279 N ILE A 79 -1.544 0.334 3.837 1.00 0.13 N ATOM 1280 CA ILE A 79 -1.181 1.735 3.853 1.00 0.14 C ATOM 1281 C ILE A 79 -2.276 2.539 3.181 1.00 0.12 C ATOM 1282 O ILE A 79 -2.494 2.416 1.981 1.00 0.18 O ATOM 1283 CB ILE A 79 0.145 2.014 3.117 1.00 0.19 C ATOM 1284 CG1 ILE A 79 1.347 1.426 3.855 1.00 0.27 C ATOM 1285 CG2 ILE A 79 0.329 3.502 2.916 1.00 0.24 C ATOM 1286 CD1 ILE A 79 1.567 -0.041 3.582 1.00 0.45 C ATOM 0 H ILE A 79 -1.791 -0.016 2.911 1.00 0.13 H new ATOM 0 HA ILE A 79 -1.054 2.022 4.897 1.00 0.14 H new ATOM 0 HB ILE A 79 0.088 1.523 2.145 1.00 0.19 H new ATOM 0 HG12 ILE A 79 2.243 1.978 3.570 1.00 0.27 H new ATOM 0 HG13 ILE A 79 1.211 1.571 4.927 1.00 0.27 H new ATOM 0 HG21 ILE A 79 1.269 3.685 2.395 1.00 0.24 H new ATOM 0 HG22 ILE A 79 -0.497 3.894 2.323 1.00 0.24 H new ATOM 0 HG23 ILE A 79 0.348 4.000 3.885 1.00 0.24 H new ATOM 0 HD11 ILE A 79 2.437 -0.388 4.139 1.00 0.45 H new ATOM 0 HD12 ILE A 79 0.688 -0.605 3.893 1.00 0.45 H new ATOM 0 HD13 ILE A 79 1.736 -0.191 2.516 1.00 0.45 H new ATOM 1298 N ILE A 80 -2.974 3.343 3.948 1.00 0.13 N ATOM 1299 CA ILE A 80 -4.044 4.149 3.396 1.00 0.15 C ATOM 1300 C ILE A 80 -3.562 5.554 3.055 1.00 0.16 C ATOM 1301 O ILE A 80 -3.036 6.272 3.898 1.00 0.17 O ATOM 1302 CB ILE A 80 -5.266 4.191 4.332 1.00 0.16 C ATOM 1303 CG1 ILE A 80 -6.133 5.430 4.058 1.00 0.18 C ATOM 1304 CG2 ILE A 80 -4.838 4.131 5.799 1.00 0.17 C ATOM 1305 CD1 ILE A 80 -7.251 5.609 5.054 1.00 0.22 C ATOM 0 H ILE A 80 -2.824 3.458 4.950 1.00 0.13 H new ATOM 0 HA ILE A 80 -4.361 3.673 2.468 1.00 0.15 H new ATOM 0 HB ILE A 80 -5.873 3.309 4.126 1.00 0.16 H new ATOM 0 HG12 ILE A 80 -5.500 6.317 4.070 1.00 0.18 H new ATOM 0 HG13 ILE A 80 -6.557 5.354 3.057 1.00 0.18 H new ATOM 0 HG21 ILE A 80 -5.721 4.162 6.437 1.00 0.17 H new ATOM 0 HG22 ILE A 80 -4.291 3.206 5.981 1.00 0.17 H new ATOM 0 HG23 ILE A 80 -4.196 4.982 6.026 1.00 0.17 H new ATOM 0 HD11 ILE A 80 -7.823 6.502 4.802 1.00 0.22 H new ATOM 0 HD12 ILE A 80 -7.906 4.738 5.026 1.00 0.22 H new ATOM 0 HD13 ILE A 80 -6.833 5.717 6.055 1.00 0.22 H new ATOM 1317 N MET A 81 -3.732 5.922 1.799 1.00 0.21 N ATOM 1318 CA MET A 81 -3.309 7.217 1.302 1.00 0.23 C ATOM 1319 C MET A 81 -4.466 8.207 1.383 1.00 0.20 C ATOM 1320 O MET A 81 -5.608 7.855 1.118 1.00 0.23 O ATOM 1321 CB MET A 81 -2.832 7.075 -0.143 1.00 0.32 C ATOM 1322 CG MET A 81 -1.823 5.954 -0.337 1.00 0.38 C ATOM 1323 SD MET A 81 -1.315 5.744 -2.056 1.00 0.63 S ATOM 1324 CE MET A 81 -0.630 7.357 -2.424 1.00 1.09 C ATOM 0 H MET A 81 -4.169 5.329 1.093 1.00 0.21 H new ATOM 0 HA MET A 81 -2.488 7.591 1.913 1.00 0.23 H new ATOM 0 HB2 MET A 81 -3.693 6.894 -0.786 1.00 0.32 H new ATOM 0 HB3 MET A 81 -2.385 8.016 -0.465 1.00 0.32 H new ATOM 0 HG2 MET A 81 -0.943 6.157 0.273 1.00 0.38 H new ATOM 0 HG3 MET A 81 -2.253 5.020 0.025 1.00 0.38 H new ATOM 0 HE1 MET A 81 -1.312 7.902 -3.077 1.00 1.09 H new ATOM 0 HE2 MET A 81 -0.493 7.914 -1.497 1.00 1.09 H new ATOM 0 HE3 MET A 81 0.332 7.239 -2.922 1.00 1.09 H new ATOM 1334 N THR A 82 -4.178 9.424 1.806 1.00 0.20 N ATOM 1335 CA THR A 82 -5.191 10.468 1.874 1.00 0.20 C ATOM 1336 C THR A 82 -4.663 11.773 1.296 1.00 0.19 C ATOM 1337 O THR A 82 -3.556 11.826 0.786 1.00 0.20 O ATOM 1338 CB THR A 82 -5.701 10.637 3.324 1.00 0.29 C ATOM 1339 OG1 THR A 82 -6.476 11.814 3.488 1.00 0.82 O ATOM 1340 CG2 THR A 82 -4.561 10.607 4.325 1.00 0.53 C ATOM 0 H THR A 82 -3.249 9.717 2.109 1.00 0.20 H new ATOM 0 HA THR A 82 -6.043 10.169 1.263 1.00 0.20 H new ATOM 0 HB THR A 82 -6.351 9.785 3.522 1.00 0.29 H new ATOM 0 HG1 THR A 82 -7.405 11.632 3.234 1.00 0.82 H new ATOM 0 HG21 THR A 82 -4.958 10.729 5.333 1.00 0.53 H new ATOM 0 HG22 THR A 82 -4.039 9.653 4.254 1.00 0.53 H new ATOM 0 HG23 THR A 82 -3.866 11.418 4.109 1.00 0.53 H new ATOM 1348 N ALA A 83 -5.455 12.821 1.383 1.00 0.25 N ATOM 1349 CA ALA A 83 -5.101 14.118 0.809 1.00 0.25 C ATOM 1350 C ALA A 83 -4.102 14.855 1.698 1.00 0.28 C ATOM 1351 O ALA A 83 -4.024 16.080 1.671 1.00 0.55 O ATOM 1352 CB ALA A 83 -6.352 14.958 0.608 1.00 0.31 C ATOM 0 H ALA A 83 -6.361 12.806 1.851 1.00 0.25 H new ATOM 0 HA ALA A 83 -4.629 13.948 -0.159 1.00 0.25 H new ATOM 0 HB1 ALA A 83 -6.078 15.922 0.180 1.00 0.31 H new ATOM 0 HB2 ALA A 83 -7.033 14.441 -0.068 1.00 0.31 H new ATOM 0 HB3 ALA A 83 -6.844 15.114 1.568 1.00 0.31 H new ATOM 1358 N TYR A 84 -3.343 14.079 2.477 1.00 0.45 N ATOM 1359 CA TYR A 84 -2.358 14.583 3.441 1.00 0.45 C ATOM 1360 C TYR A 84 -3.026 15.303 4.618 1.00 0.61 C ATOM 1361 O TYR A 84 -2.472 15.375 5.716 1.00 1.31 O ATOM 1362 CB TYR A 84 -1.333 15.492 2.752 1.00 0.47 C ATOM 1363 CG TYR A 84 -0.144 15.844 3.615 1.00 0.94 C ATOM 1364 CD1 TYR A 84 0.875 14.927 3.841 1.00 1.82 C ATOM 1365 CD2 TYR A 84 -0.043 17.097 4.207 1.00 0.98 C ATOM 1366 CE1 TYR A 84 1.960 15.250 4.632 1.00 2.58 C ATOM 1367 CE2 TYR A 84 1.039 17.426 4.997 1.00 1.61 C ATOM 1368 CZ TYR A 84 2.052 16.480 5.196 1.00 2.42 C ATOM 1369 OH TYR A 84 3.116 16.830 5.996 1.00 3.19 O ATOM 0 H TYR A 84 -3.397 13.061 2.455 1.00 0.45 H new ATOM 0 HA TYR A 84 -1.831 13.720 3.847 1.00 0.45 H new ATOM 0 HB2 TYR A 84 -0.978 15.001 1.846 1.00 0.47 H new ATOM 0 HB3 TYR A 84 -1.829 16.412 2.442 1.00 0.47 H new ATOM 0 HD1 TYR A 84 0.818 13.947 3.391 1.00 1.82 H new ATOM 0 HD2 TYR A 84 -0.824 17.825 4.046 1.00 0.98 H new ATOM 0 HE1 TYR A 84 2.738 14.521 4.802 1.00 2.58 H new ATOM 0 HE2 TYR A 84 1.104 18.401 5.456 1.00 1.61 H new ATOM 0 HH TYR A 84 3.003 17.753 6.306 1.00 3.19 H new ATOM 1379 N GLY A 85 -4.222 15.806 4.387 1.00 0.56 N ATOM 1380 CA GLY A 85 -4.942 16.528 5.415 1.00 0.62 C ATOM 1381 C GLY A 85 -6.409 16.166 5.445 1.00 0.62 C ATOM 1382 O GLY A 85 -7.183 16.751 6.202 1.00 0.75 O ATOM 0 H GLY A 85 -4.715 15.728 3.497 1.00 0.56 H new ATOM 0 HA2 GLY A 85 -4.497 16.314 6.387 1.00 0.62 H new ATOM 0 HA3 GLY A 85 -4.837 17.600 5.245 1.00 0.62 H new ATOM 1386 N GLU A 86 -6.788 15.203 4.616 1.00 0.51 N ATOM 1387 CA GLU A 86 -8.160 14.716 4.586 1.00 0.53 C ATOM 1388 C GLU A 86 -8.454 13.924 5.854 1.00 0.51 C ATOM 1389 O GLU A 86 -9.161 14.397 6.741 1.00 0.59 O ATOM 1390 CB GLU A 86 -8.380 13.836 3.355 1.00 0.51 C ATOM 1391 CG GLU A 86 -9.768 13.230 3.254 1.00 0.59 C ATOM 1392 CD GLU A 86 -10.802 14.215 2.766 1.00 0.62 C ATOM 1393 OE1 GLU A 86 -11.305 15.010 3.580 1.00 0.95 O ATOM 1394 OE2 GLU A 86 -11.118 14.191 1.561 1.00 1.12 O ATOM 0 H GLU A 86 -6.163 14.743 3.954 1.00 0.51 H new ATOM 0 HA GLU A 86 -8.838 15.568 4.533 1.00 0.53 H new ATOM 0 HB2 GLU A 86 -8.191 14.430 2.461 1.00 0.51 H new ATOM 0 HB3 GLU A 86 -7.646 13.031 3.364 1.00 0.51 H new ATOM 0 HG2 GLU A 86 -9.738 12.376 2.577 1.00 0.59 H new ATOM 0 HG3 GLU A 86 -10.066 12.852 4.232 1.00 0.59 H new ATOM 1401 N LEU A 87 -7.876 12.720 5.921 1.00 0.42 N ATOM 1402 CA LEU A 87 -8.018 11.824 7.072 1.00 0.42 C ATOM 1403 C LEU A 87 -9.463 11.760 7.563 1.00 0.49 C ATOM 1404 O LEU A 87 -9.763 12.147 8.691 1.00 0.63 O ATOM 1405 CB LEU A 87 -7.094 12.242 8.228 1.00 0.45 C ATOM 1406 CG LEU A 87 -5.585 12.097 7.977 1.00 0.45 C ATOM 1407 CD1 LEU A 87 -5.063 13.192 7.062 1.00 0.47 C ATOM 1408 CD2 LEU A 87 -4.825 12.107 9.294 1.00 0.52 C ATOM 0 H LEU A 87 -7.294 12.339 5.175 1.00 0.42 H new ATOM 0 HA LEU A 87 -7.725 10.831 6.732 1.00 0.42 H new ATOM 0 HB2 LEU A 87 -7.302 13.283 8.473 1.00 0.45 H new ATOM 0 HB3 LEU A 87 -7.354 11.650 9.105 1.00 0.45 H new ATOM 0 HG LEU A 87 -5.424 11.141 7.480 1.00 0.45 H new ATOM 0 HD11 LEU A 87 -3.993 13.057 6.907 1.00 0.47 H new ATOM 0 HD12 LEU A 87 -5.578 13.141 6.103 1.00 0.47 H new ATOM 0 HD13 LEU A 87 -5.244 14.165 7.519 1.00 0.47 H new ATOM 0 HD21 LEU A 87 -3.758 12.003 9.099 1.00 0.52 H new ATOM 0 HD22 LEU A 87 -5.009 13.047 9.813 1.00 0.52 H new ATOM 0 HD23 LEU A 87 -5.162 11.277 9.915 1.00 0.52 H new ATOM 1420 N ASP A 88 -10.355 11.288 6.708 1.00 0.60 N ATOM 1421 CA ASP A 88 -11.767 11.176 7.064 1.00 0.71 C ATOM 1422 C ASP A 88 -12.000 9.988 7.988 1.00 0.77 C ATOM 1423 O ASP A 88 -12.274 10.154 9.172 1.00 1.71 O ATOM 1424 CB ASP A 88 -12.625 11.042 5.808 1.00 0.91 C ATOM 1425 CG ASP A 88 -14.062 10.682 6.126 1.00 1.10 C ATOM 1426 OD1 ASP A 88 -14.809 11.562 6.601 1.00 1.18 O ATOM 1427 OD2 ASP A 88 -14.446 9.521 5.898 1.00 1.52 O ATOM 0 H ASP A 88 -10.131 10.976 5.763 1.00 0.60 H new ATOM 0 HA ASP A 88 -12.056 12.085 7.592 1.00 0.71 H new ATOM 0 HB2 ASP A 88 -12.602 11.980 5.254 1.00 0.91 H new ATOM 0 HB3 ASP A 88 -12.197 10.278 5.159 1.00 0.91 H new ATOM 1432 N MET A 89 -11.874 8.791 7.435 1.00 0.63 N ATOM 1433 CA MET A 89 -12.055 7.565 8.199 1.00 0.55 C ATOM 1434 C MET A 89 -10.685 6.938 8.465 1.00 0.45 C ATOM 1435 O MET A 89 -10.547 5.724 8.656 1.00 0.47 O ATOM 1436 CB MET A 89 -12.957 6.607 7.409 1.00 0.73 C ATOM 1437 CG MET A 89 -13.737 5.618 8.264 1.00 0.82 C ATOM 1438 SD MET A 89 -15.268 6.301 8.951 1.00 1.55 S ATOM 1439 CE MET A 89 -14.649 7.551 10.073 1.00 2.18 C ATOM 0 H MET A 89 -11.645 8.642 6.452 1.00 0.63 H new ATOM 0 HA MET A 89 -12.532 7.777 9.156 1.00 0.55 H new ATOM 0 HB2 MET A 89 -13.663 7.195 6.822 1.00 0.73 H new ATOM 0 HB3 MET A 89 -12.342 6.050 6.703 1.00 0.73 H new ATOM 0 HG2 MET A 89 -13.978 4.742 7.662 1.00 0.82 H new ATOM 0 HG3 MET A 89 -13.102 5.278 9.082 1.00 0.82 H new ATOM 0 HE1 MET A 89 -15.315 7.631 10.932 1.00 2.18 H new ATOM 0 HE2 MET A 89 -13.651 7.274 10.412 1.00 2.18 H new ATOM 0 HE3 MET A 89 -14.604 8.511 9.559 1.00 2.18 H new ATOM 1449 N ILE A 90 -9.682 7.810 8.508 1.00 0.37 N ATOM 1450 CA ILE A 90 -8.281 7.421 8.612 1.00 0.31 C ATOM 1451 C ILE A 90 -7.995 6.628 9.881 1.00 0.27 C ATOM 1452 O ILE A 90 -7.293 5.621 9.838 1.00 0.27 O ATOM 1453 CB ILE A 90 -7.367 8.680 8.542 1.00 0.31 C ATOM 1454 CG1 ILE A 90 -6.579 8.677 7.236 1.00 0.38 C ATOM 1455 CG2 ILE A 90 -6.424 8.789 9.740 1.00 0.29 C ATOM 1456 CD1 ILE A 90 -5.494 7.625 7.180 1.00 0.42 C ATOM 0 H ILE A 90 -9.822 8.820 8.471 1.00 0.37 H new ATOM 0 HA ILE A 90 -8.061 6.767 7.768 1.00 0.31 H new ATOM 0 HB ILE A 90 -8.015 9.556 8.575 1.00 0.31 H new ATOM 0 HG12 ILE A 90 -7.269 8.519 6.407 1.00 0.38 H new ATOM 0 HG13 ILE A 90 -6.128 9.659 7.092 1.00 0.38 H new ATOM 0 HG21 ILE A 90 -5.810 9.684 9.640 1.00 0.29 H new ATOM 0 HG22 ILE A 90 -7.008 8.850 10.658 1.00 0.29 H new ATOM 0 HG23 ILE A 90 -5.780 7.910 9.777 1.00 0.29 H new ATOM 0 HD11 ILE A 90 -4.978 7.685 6.222 1.00 0.42 H new ATOM 0 HD12 ILE A 90 -4.781 7.794 7.987 1.00 0.42 H new ATOM 0 HD13 ILE A 90 -5.940 6.636 7.291 1.00 0.42 H new ATOM 1468 N GLN A 91 -8.553 7.083 10.991 1.00 0.29 N ATOM 1469 CA GLN A 91 -8.253 6.507 12.298 1.00 0.31 C ATOM 1470 C GLN A 91 -8.602 5.025 12.352 1.00 0.31 C ATOM 1471 O GLN A 91 -7.729 4.184 12.581 1.00 0.32 O ATOM 1472 CB GLN A 91 -8.984 7.282 13.387 1.00 0.39 C ATOM 1473 CG GLN A 91 -8.477 8.708 13.531 1.00 0.45 C ATOM 1474 CD GLN A 91 -9.377 9.573 14.391 1.00 1.35 C ATOM 1475 OE1 GLN A 91 -10.590 9.375 14.441 1.00 2.14 O ATOM 1476 NE2 GLN A 91 -8.785 10.542 15.070 1.00 2.10 N ATOM 0 H GLN A 91 -9.220 7.854 11.016 1.00 0.29 H new ATOM 0 HA GLN A 91 -7.180 6.588 12.469 1.00 0.31 H new ATOM 0 HB2 GLN A 91 -10.050 7.301 13.161 1.00 0.39 H new ATOM 0 HB3 GLN A 91 -8.869 6.762 14.338 1.00 0.39 H new ATOM 0 HG2 GLN A 91 -7.477 8.690 13.965 1.00 0.45 H new ATOM 0 HG3 GLN A 91 -8.387 9.157 12.542 1.00 0.45 H new ATOM 0 HE21 GLN A 91 -7.776 10.671 15.000 1.00 2.10 H new ATOM 0 HE22 GLN A 91 -9.338 11.160 15.664 1.00 2.10 H new ATOM 1485 N GLU A 92 -9.862 4.700 12.124 1.00 0.38 N ATOM 1486 CA GLU A 92 -10.288 3.309 12.082 1.00 0.42 C ATOM 1487 C GLU A 92 -9.515 2.545 11.019 1.00 0.34 C ATOM 1488 O GLU A 92 -9.083 1.423 11.251 1.00 0.33 O ATOM 1489 CB GLU A 92 -11.790 3.176 11.820 1.00 0.55 C ATOM 1490 CG GLU A 92 -12.436 4.375 11.143 1.00 0.64 C ATOM 1491 CD GLU A 92 -12.680 5.529 12.095 1.00 1.21 C ATOM 1492 OE1 GLU A 92 -13.656 5.471 12.868 1.00 1.73 O ATOM 1493 OE2 GLU A 92 -11.897 6.499 12.071 1.00 1.52 O ATOM 0 H GLU A 92 -10.608 5.377 11.965 1.00 0.38 H new ATOM 0 HA GLU A 92 -10.078 2.882 13.063 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -11.958 2.295 11.201 1.00 0.55 H new ATOM 0 HB3 GLU A 92 -12.294 2.999 12.770 1.00 0.55 H new ATOM 0 HG2 GLU A 92 -11.797 4.713 10.327 1.00 0.64 H new ATOM 0 HG3 GLU A 92 -13.384 4.069 10.700 1.00 0.64 H new ATOM 1500 N SER A 93 -9.329 3.165 9.862 1.00 0.32 N ATOM 1501 CA SER A 93 -8.618 2.524 8.763 1.00 0.27 C ATOM 1502 C SER A 93 -7.200 2.088 9.168 1.00 0.21 C ATOM 1503 O SER A 93 -6.802 0.955 8.899 1.00 0.22 O ATOM 1504 CB SER A 93 -8.558 3.450 7.556 1.00 0.33 C ATOM 1505 OG SER A 93 -7.957 2.805 6.447 1.00 0.98 O ATOM 0 H SER A 93 -9.659 4.109 9.660 1.00 0.32 H new ATOM 0 HA SER A 93 -9.175 1.625 8.499 1.00 0.27 H new ATOM 0 HB2 SER A 93 -9.565 3.773 7.291 1.00 0.33 H new ATOM 0 HB3 SER A 93 -7.992 4.347 7.809 1.00 0.33 H new ATOM 0 HG SER A 93 -8.479 2.011 6.208 1.00 0.98 H new ATOM 1511 N LYS A 94 -6.442 2.978 9.812 1.00 0.21 N ATOM 1512 CA LYS A 94 -5.062 2.663 10.199 1.00 0.21 C ATOM 1513 C LYS A 94 -5.011 1.650 11.339 1.00 0.25 C ATOM 1514 O LYS A 94 -4.115 0.816 11.388 1.00 0.31 O ATOM 1515 CB LYS A 94 -4.280 3.918 10.596 1.00 0.23 C ATOM 1516 CG LYS A 94 -4.984 4.780 11.621 1.00 0.30 C ATOM 1517 CD LYS A 94 -4.033 5.756 12.290 1.00 0.43 C ATOM 1518 CE LYS A 94 -3.120 5.047 13.278 1.00 0.65 C ATOM 1519 NZ LYS A 94 -3.866 4.565 14.472 1.00 1.25 N ATOM 0 H LYS A 94 -6.754 3.913 10.075 1.00 0.21 H new ATOM 0 HA LYS A 94 -4.592 2.224 9.319 1.00 0.21 H new ATOM 0 HB2 LYS A 94 -3.309 3.619 10.992 1.00 0.23 H new ATOM 0 HB3 LYS A 94 -4.090 4.514 9.703 1.00 0.23 H new ATOM 0 HG2 LYS A 94 -5.790 5.332 11.138 1.00 0.30 H new ATOM 0 HG3 LYS A 94 -5.442 4.143 12.378 1.00 0.30 H new ATOM 0 HD2 LYS A 94 -3.432 6.259 11.532 1.00 0.43 H new ATOM 0 HD3 LYS A 94 -4.604 6.527 12.808 1.00 0.43 H new ATOM 0 HE2 LYS A 94 -2.637 4.203 12.786 1.00 0.65 H new ATOM 0 HE3 LYS A 94 -2.329 5.727 13.594 1.00 0.65 H new ATOM 0 HZ1 LYS A 94 -3.195 4.353 15.238 1.00 1.25 H new ATOM 0 HZ2 LYS A 94 -4.530 5.301 14.787 1.00 1.25 H new ATOM 0 HZ3 LYS A 94 -4.395 3.704 14.226 1.00 1.25 H new ATOM 1533 N GLU A 95 -5.965 1.713 12.260 1.00 0.30 N ATOM 1534 CA GLU A 95 -5.958 0.783 13.382 1.00 0.44 C ATOM 1535 C GLU A 95 -6.633 -0.530 13.005 1.00 0.51 C ATOM 1536 O GLU A 95 -6.708 -1.458 13.809 1.00 0.66 O ATOM 1537 CB GLU A 95 -6.614 1.396 14.620 1.00 0.49 C ATOM 1538 CG GLU A 95 -8.076 1.770 14.449 1.00 0.44 C ATOM 1539 CD GLU A 95 -8.650 2.384 15.707 1.00 0.59 C ATOM 1540 OE1 GLU A 95 -8.487 3.604 15.909 1.00 0.85 O ATOM 1541 OE2 GLU A 95 -9.290 1.654 16.493 1.00 0.67 O ATOM 0 H GLU A 95 -6.736 2.381 12.255 1.00 0.30 H new ATOM 0 HA GLU A 95 -4.917 0.573 13.629 1.00 0.44 H new ATOM 0 HB2 GLU A 95 -6.529 0.690 15.446 1.00 0.49 H new ATOM 0 HB3 GLU A 95 -6.056 2.288 14.905 1.00 0.49 H new ATOM 0 HG2 GLU A 95 -8.177 2.473 13.623 1.00 0.44 H new ATOM 0 HG3 GLU A 95 -8.650 0.882 14.184 1.00 0.44 H new ATOM 1548 N LEU A 96 -7.105 -0.606 11.770 1.00 0.51 N ATOM 1549 CA LEU A 96 -7.737 -1.809 11.260 1.00 0.64 C ATOM 1550 C LEU A 96 -6.736 -2.640 10.462 1.00 0.93 C ATOM 1551 O LEU A 96 -7.001 -3.051 9.334 1.00 1.73 O ATOM 1552 CB LEU A 96 -8.955 -1.444 10.405 1.00 0.53 C ATOM 1553 CG LEU A 96 -10.321 -1.707 11.059 1.00 0.41 C ATOM 1554 CD1 LEU A 96 -10.279 -1.410 12.553 1.00 0.40 C ATOM 1555 CD2 LEU A 96 -11.398 -0.862 10.397 1.00 0.40 C ATOM 0 H LEU A 96 -7.060 0.160 11.098 1.00 0.51 H new ATOM 0 HA LEU A 96 -8.079 -2.412 12.101 1.00 0.64 H new ATOM 0 HB2 LEU A 96 -8.892 -0.387 10.146 1.00 0.53 H new ATOM 0 HB3 LEU A 96 -8.904 -2.005 9.472 1.00 0.53 H new ATOM 0 HG LEU A 96 -10.559 -2.762 10.922 1.00 0.41 H new ATOM 0 HD11 LEU A 96 -11.258 -1.605 12.990 1.00 0.40 H new ATOM 0 HD12 LEU A 96 -9.535 -2.048 13.030 1.00 0.40 H new ATOM 0 HD13 LEU A 96 -10.013 -0.364 12.709 1.00 0.40 H new ATOM 0 HD21 LEU A 96 -12.359 -1.060 10.872 1.00 0.40 H new ATOM 0 HD22 LEU A 96 -11.150 0.194 10.506 1.00 0.40 H new ATOM 0 HD23 LEU A 96 -11.458 -1.113 9.338 1.00 0.40 H new ATOM 1567 N GLY A 97 -5.569 -2.863 11.055 1.00 0.54 N ATOM 1568 CA GLY A 97 -4.599 -3.770 10.472 1.00 0.69 C ATOM 1569 C GLY A 97 -3.590 -3.091 9.567 1.00 0.61 C ATOM 1570 O GLY A 97 -2.451 -3.543 9.447 1.00 0.88 O ATOM 0 H GLY A 97 -5.277 -2.431 11.931 1.00 0.54 H new ATOM 0 HA2 GLY A 97 -4.067 -4.282 11.274 1.00 0.69 H new ATOM 0 HA3 GLY A 97 -5.127 -4.534 9.902 1.00 0.69 H new ATOM 1574 N ALA A 98 -4.027 -2.039 8.899 1.00 0.32 N ATOM 1575 CA ALA A 98 -3.149 -1.212 8.081 1.00 0.27 C ATOM 1576 C ALA A 98 -1.909 -0.812 8.876 1.00 0.19 C ATOM 1577 O ALA A 98 -2.019 -0.264 9.969 1.00 0.22 O ATOM 1578 CB ALA A 98 -3.903 0.027 7.617 1.00 0.26 C ATOM 0 H ALA A 98 -4.999 -1.731 8.906 1.00 0.32 H new ATOM 0 HA ALA A 98 -2.829 -1.782 7.209 1.00 0.27 H new ATOM 0 HB1 ALA A 98 -3.246 0.645 7.005 1.00 0.26 H new ATOM 0 HB2 ALA A 98 -4.770 -0.274 7.028 1.00 0.26 H new ATOM 0 HB3 ALA A 98 -4.234 0.598 8.485 1.00 0.26 H new ATOM 1584 N LEU A 99 -0.730 -1.098 8.338 1.00 0.18 N ATOM 1585 CA LEU A 99 0.506 -0.794 9.046 1.00 0.23 C ATOM 1586 C LEU A 99 0.763 0.718 9.121 1.00 0.26 C ATOM 1587 O LEU A 99 1.472 1.176 10.019 1.00 0.39 O ATOM 1588 CB LEU A 99 1.711 -1.564 8.449 1.00 0.51 C ATOM 1589 CG LEU A 99 2.080 -1.303 6.981 1.00 0.60 C ATOM 1590 CD1 LEU A 99 2.686 0.069 6.800 1.00 1.27 C ATOM 1591 CD2 LEU A 99 3.063 -2.349 6.496 1.00 1.26 C ATOM 0 H LEU A 99 -0.604 -1.535 7.425 1.00 0.18 H new ATOM 0 HA LEU A 99 0.386 -1.142 10.072 1.00 0.23 H new ATOM 0 HB2 LEU A 99 2.586 -1.338 9.058 1.00 0.51 H new ATOM 0 HB3 LEU A 99 1.513 -2.630 8.559 1.00 0.51 H new ATOM 0 HG LEU A 99 1.162 -1.357 6.396 1.00 0.60 H new ATOM 0 HD11 LEU A 99 2.935 0.221 5.750 1.00 1.27 H new ATOM 0 HD12 LEU A 99 1.970 0.828 7.116 1.00 1.27 H new ATOM 0 HD13 LEU A 99 3.590 0.150 7.403 1.00 1.27 H new ATOM 0 HD21 LEU A 99 3.317 -2.154 5.454 1.00 1.26 H new ATOM 0 HD22 LEU A 99 3.967 -2.309 7.104 1.00 1.26 H new ATOM 0 HD23 LEU A 99 2.613 -3.338 6.580 1.00 1.26 H new ATOM 1603 N THR A 100 0.189 1.496 8.191 1.00 0.23 N ATOM 1604 CA THR A 100 0.303 2.956 8.262 1.00 0.28 C ATOM 1605 C THR A 100 -0.523 3.649 7.175 1.00 0.24 C ATOM 1606 O THR A 100 -1.371 3.033 6.530 1.00 0.25 O ATOM 1607 CB THR A 100 1.781 3.437 8.180 1.00 0.36 C ATOM 1608 OG1 THR A 100 1.875 4.801 8.617 1.00 0.42 O ATOM 1609 CG2 THR A 100 2.336 3.335 6.763 1.00 0.34 C ATOM 0 H THR A 100 -0.348 1.146 7.397 1.00 0.23 H new ATOM 0 HA THR A 100 -0.096 3.237 9.236 1.00 0.28 H new ATOM 0 HB THR A 100 2.370 2.787 8.827 1.00 0.36 H new ATOM 0 HG1 THR A 100 2.275 5.345 7.907 1.00 0.42 H new ATOM 0 HG21 THR A 100 3.370 3.681 6.751 1.00 0.34 H new ATOM 0 HG22 THR A 100 2.297 2.298 6.431 1.00 0.34 H new ATOM 0 HG23 THR A 100 1.739 3.954 6.093 1.00 0.34 H new ATOM 1617 N HIS A 101 -0.279 4.942 7.004 1.00 0.29 N ATOM 1618 CA HIS A 101 -0.992 5.758 6.040 1.00 0.28 C ATOM 1619 C HIS A 101 -0.032 6.677 5.276 1.00 0.27 C ATOM 1620 O HIS A 101 0.967 7.149 5.824 1.00 0.35 O ATOM 1621 CB HIS A 101 -2.069 6.594 6.749 1.00 0.32 C ATOM 1622 CG HIS A 101 -1.544 7.502 7.826 1.00 0.42 C ATOM 1623 ND1 HIS A 101 -1.471 8.873 7.695 1.00 1.12 N ATOM 1624 CD2 HIS A 101 -1.076 7.223 9.066 1.00 1.14 C ATOM 1625 CE1 HIS A 101 -0.979 9.391 8.802 1.00 0.93 C ATOM 1626 NE2 HIS A 101 -0.732 8.414 9.647 1.00 0.92 N ATOM 0 H HIS A 101 0.425 5.454 7.536 1.00 0.29 H new ATOM 0 HA HIS A 101 -1.470 5.093 5.321 1.00 0.28 H new ATOM 0 HB2 HIS A 101 -2.591 7.197 6.006 1.00 0.32 H new ATOM 0 HB3 HIS A 101 -2.805 5.920 7.187 1.00 0.32 H new ATOM 0 HD2 HIS A 101 -0.990 6.244 9.513 1.00 1.14 H new ATOM 0 HE1 HIS A 101 -0.807 10.441 8.985 1.00 0.93 H new ATOM 0 HE2 HIS A 101 -0.346 8.526 10.585 1.00 0.92 H new ATOM 1635 N PHE A 102 -0.351 6.917 4.011 1.00 0.25 N ATOM 1636 CA PHE A 102 0.395 7.845 3.162 1.00 0.24 C ATOM 1637 C PHE A 102 -0.529 8.954 2.689 1.00 0.20 C ATOM 1638 O PHE A 102 -1.611 9.162 3.243 1.00 0.21 O ATOM 1639 CB PHE A 102 0.971 7.137 1.939 1.00 0.30 C ATOM 1640 CG PHE A 102 2.183 6.297 2.215 1.00 0.54 C ATOM 1641 CD1 PHE A 102 2.978 6.559 3.317 1.00 0.99 C ATOM 1642 CD2 PHE A 102 2.530 5.254 1.375 1.00 0.85 C ATOM 1643 CE1 PHE A 102 4.098 5.799 3.577 1.00 1.33 C ATOM 1644 CE2 PHE A 102 3.647 4.488 1.631 1.00 1.13 C ATOM 1645 CZ PHE A 102 4.412 4.727 2.714 1.00 1.29 C ATOM 0 H PHE A 102 -1.139 6.472 3.540 1.00 0.25 H new ATOM 0 HA PHE A 102 1.216 8.253 3.752 1.00 0.24 H new ATOM 0 HB2 PHE A 102 0.198 6.503 1.505 1.00 0.30 H new ATOM 0 HB3 PHE A 102 1.227 7.886 1.190 1.00 0.30 H new ATOM 0 HD1 PHE A 102 2.717 7.369 3.982 1.00 0.99 H new ATOM 0 HD2 PHE A 102 1.920 5.038 0.510 1.00 0.85 H new ATOM 0 HE1 PHE A 102 4.726 6.020 4.428 1.00 1.33 H new ATOM 0 HE2 PHE A 102 3.912 3.688 0.956 1.00 1.13 H new ATOM 0 HZ PHE A 102 5.265 4.098 2.922 1.00 1.29 H new ATOM 1655 N ALA A 103 -0.114 9.648 1.650 1.00 0.22 N ATOM 1656 CA ALA A 103 -0.935 10.675 1.052 1.00 0.23 C ATOM 1657 C ALA A 103 -0.885 10.564 -0.463 1.00 0.31 C ATOM 1658 O ALA A 103 0.159 10.248 -1.028 1.00 0.47 O ATOM 1659 CB ALA A 103 -0.475 12.054 1.504 1.00 0.34 C ATOM 0 H ALA A 103 0.793 9.517 1.201 1.00 0.22 H new ATOM 0 HA ALA A 103 -1.966 10.536 1.378 1.00 0.23 H new ATOM 0 HB1 ALA A 103 -1.104 12.816 1.044 1.00 0.34 H new ATOM 0 HB2 ALA A 103 -0.552 12.126 2.589 1.00 0.34 H new ATOM 0 HB3 ALA A 103 0.561 12.209 1.203 1.00 0.34 H new ATOM 1665 N LYS A 104 -2.021 10.793 -1.108 1.00 0.26 N ATOM 1666 CA LYS A 104 -2.087 10.858 -2.563 1.00 0.33 C ATOM 1667 C LYS A 104 -1.092 11.934 -3.049 1.00 0.40 C ATOM 1668 O LYS A 104 -0.264 11.664 -3.918 1.00 0.51 O ATOM 1669 CB LYS A 104 -3.538 11.158 -3.006 1.00 0.32 C ATOM 1670 CG LYS A 104 -3.971 10.550 -4.341 1.00 0.53 C ATOM 1671 CD LYS A 104 -3.247 11.164 -5.531 1.00 0.93 C ATOM 1672 CE LYS A 104 -2.019 10.355 -5.917 1.00 1.15 C ATOM 1673 NZ LYS A 104 -1.063 11.151 -6.729 1.00 2.18 N ATOM 0 H LYS A 104 -2.917 10.938 -0.642 1.00 0.26 H new ATOM 0 HA LYS A 104 -1.807 9.904 -3.010 1.00 0.33 H new ATOM 0 HB2 LYS A 104 -4.215 10.800 -2.230 1.00 0.32 H new ATOM 0 HB3 LYS A 104 -3.663 12.239 -3.064 1.00 0.32 H new ATOM 0 HG2 LYS A 104 -3.785 9.476 -4.323 1.00 0.53 H new ATOM 0 HG3 LYS A 104 -5.045 10.686 -4.466 1.00 0.53 H new ATOM 0 HD2 LYS A 104 -3.927 11.222 -6.381 1.00 0.93 H new ATOM 0 HD3 LYS A 104 -2.950 12.185 -5.290 1.00 0.93 H new ATOM 0 HE2 LYS A 104 -1.521 9.999 -5.015 1.00 1.15 H new ATOM 0 HE3 LYS A 104 -2.327 9.474 -6.480 1.00 1.15 H new ATOM 0 HZ1 LYS A 104 -0.522 10.516 -7.350 1.00 2.18 H new ATOM 0 HZ2 LYS A 104 -1.587 11.838 -7.308 1.00 2.18 H new ATOM 0 HZ3 LYS A 104 -0.410 11.658 -6.098 1.00 2.18 H new ATOM 1687 N PRO A 105 -1.168 13.171 -2.494 1.00 0.39 N ATOM 1688 CA PRO A 105 -0.152 14.219 -2.672 1.00 0.50 C ATOM 1689 C PRO A 105 1.303 13.723 -2.648 1.00 0.66 C ATOM 1690 O PRO A 105 2.143 14.195 -3.421 1.00 1.25 O ATOM 1691 CB PRO A 105 -0.374 15.128 -1.455 1.00 0.51 C ATOM 1692 CG PRO A 105 -1.677 14.726 -0.832 1.00 0.60 C ATOM 1693 CD PRO A 105 -2.302 13.699 -1.724 1.00 0.35 C ATOM 0 HA PRO A 105 -0.269 14.685 -3.650 1.00 0.50 H new ATOM 0 HB2 PRO A 105 0.443 15.021 -0.741 1.00 0.51 H new ATOM 0 HB3 PRO A 105 -0.399 16.175 -1.757 1.00 0.51 H new ATOM 0 HG2 PRO A 105 -1.516 14.320 0.167 1.00 0.60 H new ATOM 0 HG3 PRO A 105 -2.333 15.590 -0.723 1.00 0.60 H new ATOM 0 HD2 PRO A 105 -2.795 12.915 -1.149 1.00 0.35 H new ATOM 0 HD3 PRO A 105 -3.057 14.140 -2.375 1.00 0.35 H new ATOM 1701 N PHE A 106 1.585 12.792 -1.741 1.00 0.50 N ATOM 1702 CA PHE A 106 2.952 12.328 -1.469 1.00 0.65 C ATOM 1703 C PHE A 106 3.674 11.785 -2.701 1.00 0.35 C ATOM 1704 O PHE A 106 3.066 11.493 -3.734 1.00 0.68 O ATOM 1705 CB PHE A 106 2.952 11.267 -0.382 1.00 1.19 C ATOM 1706 CG PHE A 106 3.649 11.700 0.877 1.00 2.49 C ATOM 1707 CD1 PHE A 106 5.019 11.893 0.895 1.00 3.00 C ATOM 1708 CD2 PHE A 106 2.931 11.909 2.043 1.00 3.26 C ATOM 1709 CE1 PHE A 106 5.662 12.287 2.052 1.00 4.24 C ATOM 1710 CE2 PHE A 106 3.568 12.302 3.204 1.00 4.50 C ATOM 1711 CZ PHE A 106 4.943 12.506 3.198 1.00 4.99 C ATOM 0 H PHE A 106 0.874 12.334 -1.170 1.00 0.50 H new ATOM 0 HA PHE A 106 3.500 13.211 -1.139 1.00 0.65 H new ATOM 0 HB2 PHE A 106 1.922 11.001 -0.145 1.00 1.19 H new ATOM 0 HB3 PHE A 106 3.434 10.367 -0.764 1.00 1.19 H new ATOM 0 HD1 PHE A 106 5.592 11.734 -0.006 1.00 3.00 H new ATOM 0 HD2 PHE A 106 1.861 11.763 2.044 1.00 3.26 H new ATOM 0 HE1 PHE A 106 6.733 12.423 2.054 1.00 4.24 H new ATOM 0 HE2 PHE A 106 3.001 12.450 4.111 1.00 4.50 H new ATOM 0 HZ PHE A 106 5.444 12.837 4.096 1.00 4.99 H new ATOM 1721 N ASP A 107 4.987 11.636 -2.555 1.00 0.40 N ATOM 1722 CA ASP A 107 5.861 11.212 -3.641 1.00 0.37 C ATOM 1723 C ASP A 107 5.865 9.705 -3.817 1.00 0.47 C ATOM 1724 O ASP A 107 5.697 8.953 -2.860 1.00 0.66 O ATOM 1725 CB ASP A 107 7.288 11.695 -3.392 1.00 0.45 C ATOM 1726 CG ASP A 107 7.476 13.150 -3.753 1.00 1.16 C ATOM 1727 OD1 ASP A 107 7.258 14.020 -2.885 1.00 1.63 O ATOM 1728 OD2 ASP A 107 7.846 13.431 -4.914 1.00 1.67 O ATOM 0 H ASP A 107 5.476 11.807 -1.676 1.00 0.40 H new ATOM 0 HA ASP A 107 5.471 11.658 -4.556 1.00 0.37 H new ATOM 0 HB2 ASP A 107 7.540 11.549 -2.342 1.00 0.45 H new ATOM 0 HB3 ASP A 107 7.981 11.087 -3.974 1.00 0.45 H new ATOM 1733 N ILE A 108 6.084 9.279 -5.052 1.00 0.48 N ATOM 1734 CA ILE A 108 6.138 7.865 -5.391 1.00 0.58 C ATOM 1735 C ILE A 108 7.395 7.226 -4.807 1.00 0.50 C ATOM 1736 O ILE A 108 7.369 6.100 -4.315 1.00 0.44 O ATOM 1737 CB ILE A 108 6.141 7.667 -6.919 1.00 0.75 C ATOM 1738 CG1 ILE A 108 5.112 8.592 -7.581 1.00 0.70 C ATOM 1739 CG2 ILE A 108 5.837 6.217 -7.258 1.00 1.04 C ATOM 1740 CD1 ILE A 108 5.080 8.495 -9.094 1.00 1.13 C ATOM 0 H ILE A 108 6.229 9.903 -5.846 1.00 0.48 H new ATOM 0 HA ILE A 108 5.253 7.388 -4.969 1.00 0.58 H new ATOM 0 HB ILE A 108 7.130 7.919 -7.301 1.00 0.75 H new ATOM 0 HG12 ILE A 108 4.122 8.356 -7.191 1.00 0.70 H new ATOM 0 HG13 ILE A 108 5.329 9.622 -7.298 1.00 0.70 H new ATOM 0 HG21 ILE A 108 5.841 6.088 -8.340 1.00 1.04 H new ATOM 0 HG22 ILE A 108 6.595 5.573 -6.812 1.00 1.04 H new ATOM 0 HG23 ILE A 108 4.856 5.949 -6.865 1.00 1.04 H new ATOM 0 HD11 ILE A 108 4.328 9.179 -9.487 1.00 1.13 H new ATOM 0 HD12 ILE A 108 6.057 8.761 -9.496 1.00 1.13 H new ATOM 0 HD13 ILE A 108 4.832 7.475 -9.388 1.00 1.13 H new ATOM 1752 N ASP A 109 8.490 7.969 -4.839 1.00 0.49 N ATOM 1753 CA ASP A 109 9.762 7.484 -4.315 1.00 0.42 C ATOM 1754 C ASP A 109 9.670 7.331 -2.806 1.00 0.34 C ATOM 1755 O ASP A 109 10.324 6.478 -2.218 1.00 0.30 O ATOM 1756 CB ASP A 109 10.879 8.449 -4.706 1.00 0.46 C ATOM 1757 CG ASP A 109 12.246 8.017 -4.209 1.00 0.98 C ATOM 1758 OD1 ASP A 109 12.821 7.072 -4.790 1.00 1.88 O ATOM 1759 OD2 ASP A 109 12.744 8.603 -3.226 1.00 0.89 O ATOM 0 H ASP A 109 8.526 8.913 -5.223 1.00 0.49 H new ATOM 0 HA ASP A 109 9.989 6.507 -4.742 1.00 0.42 H new ATOM 0 HB2 ASP A 109 10.907 8.541 -5.792 1.00 0.46 H new ATOM 0 HB3 ASP A 109 10.651 9.438 -4.308 1.00 0.46 H new ATOM 1764 N GLU A 110 8.815 8.140 -2.197 1.00 0.35 N ATOM 1765 CA GLU A 110 8.509 8.006 -0.778 1.00 0.35 C ATOM 1766 C GLU A 110 7.703 6.743 -0.562 1.00 0.33 C ATOM 1767 O GLU A 110 7.813 6.081 0.459 1.00 0.34 O ATOM 1768 CB GLU A 110 7.676 9.196 -0.317 1.00 0.49 C ATOM 1769 CG GLU A 110 8.163 9.865 0.953 1.00 0.62 C ATOM 1770 CD GLU A 110 8.299 8.925 2.133 1.00 1.15 C ATOM 1771 OE1 GLU A 110 9.365 8.295 2.273 1.00 1.71 O ATOM 1772 OE2 GLU A 110 7.354 8.851 2.950 1.00 1.68 O ATOM 0 H GLU A 110 8.319 8.899 -2.664 1.00 0.35 H new ATOM 0 HA GLU A 110 9.440 7.965 -0.212 1.00 0.35 H new ATOM 0 HB2 GLU A 110 7.656 9.937 -1.116 1.00 0.49 H new ATOM 0 HB3 GLU A 110 6.649 8.864 -0.164 1.00 0.49 H new ATOM 0 HG2 GLU A 110 9.130 10.330 0.759 1.00 0.62 H new ATOM 0 HG3 GLU A 110 7.472 10.666 1.217 1.00 0.62 H new ATOM 1779 N ILE A 111 6.893 6.420 -1.550 1.00 0.34 N ATOM 1780 CA ILE A 111 6.031 5.267 -1.476 1.00 0.33 C ATOM 1781 C ILE A 111 6.876 3.990 -1.433 1.00 0.28 C ATOM 1782 O ILE A 111 6.711 3.164 -0.534 1.00 0.27 O ATOM 1783 CB ILE A 111 5.014 5.287 -2.653 1.00 0.36 C ATOM 1784 CG1 ILE A 111 3.603 5.570 -2.133 1.00 0.61 C ATOM 1785 CG2 ILE A 111 5.034 4.014 -3.475 1.00 0.69 C ATOM 1786 CD1 ILE A 111 3.431 6.958 -1.554 1.00 1.06 C ATOM 0 H ILE A 111 6.817 6.948 -2.419 1.00 0.34 H new ATOM 0 HA ILE A 111 5.446 5.292 -0.556 1.00 0.33 H new ATOM 0 HB ILE A 111 5.321 6.092 -3.321 1.00 0.36 H new ATOM 0 HG12 ILE A 111 2.892 5.436 -2.948 1.00 0.61 H new ATOM 0 HG13 ILE A 111 3.353 4.834 -1.368 1.00 0.61 H new ATOM 0 HG21 ILE A 111 4.303 4.089 -4.280 1.00 0.69 H new ATOM 0 HG22 ILE A 111 6.028 3.870 -3.899 1.00 0.69 H new ATOM 0 HG23 ILE A 111 4.785 3.165 -2.838 1.00 0.69 H new ATOM 0 HD11 ILE A 111 2.405 7.083 -1.207 1.00 1.06 H new ATOM 0 HD12 ILE A 111 4.116 7.090 -0.717 1.00 1.06 H new ATOM 0 HD13 ILE A 111 3.647 7.702 -2.321 1.00 1.06 H new ATOM 1798 N ARG A 112 7.830 3.865 -2.354 1.00 0.27 N ATOM 1799 CA ARG A 112 8.708 2.697 -2.382 1.00 0.24 C ATOM 1800 C ARG A 112 9.658 2.705 -1.181 1.00 0.22 C ATOM 1801 O ARG A 112 9.943 1.660 -0.591 1.00 0.22 O ATOM 1802 CB ARG A 112 9.500 2.640 -3.691 1.00 0.23 C ATOM 1803 CG ARG A 112 10.396 3.842 -3.930 1.00 0.23 C ATOM 1804 CD ARG A 112 11.076 3.756 -5.285 1.00 0.23 C ATOM 1805 NE ARG A 112 12.453 3.301 -5.174 1.00 0.79 N ATOM 1806 CZ ARG A 112 13.452 3.732 -5.938 1.00 0.82 C ATOM 1807 NH1 ARG A 112 13.268 4.748 -6.774 1.00 1.16 N ATOM 1808 NH2 ARG A 112 14.644 3.159 -5.843 1.00 1.39 N ATOM 0 H ARG A 112 8.014 4.552 -3.085 1.00 0.27 H new ATOM 0 HA ARG A 112 8.084 1.805 -2.322 1.00 0.24 H new ATOM 0 HB2 ARG A 112 10.113 1.738 -3.693 1.00 0.23 H new ATOM 0 HB3 ARG A 112 8.800 2.552 -4.522 1.00 0.23 H new ATOM 0 HG2 ARG A 112 9.806 4.757 -3.873 1.00 0.23 H new ATOM 0 HG3 ARG A 112 11.149 3.900 -3.144 1.00 0.23 H new ATOM 0 HD2 ARG A 112 10.519 3.074 -5.928 1.00 0.23 H new ATOM 0 HD3 ARG A 112 11.055 4.735 -5.764 1.00 0.23 H new ATOM 0 HE ARG A 112 12.667 2.603 -4.461 1.00 0.79 H new ATOM 0 HH11 ARG A 112 12.356 5.202 -6.832 1.00 1.16 H new ATOM 0 HH12 ARG A 112 14.038 5.074 -7.358 1.00 1.16 H new ATOM 0 HH21 ARG A 112 14.790 2.392 -5.187 1.00 1.39 H new ATOM 0 HH22 ARG A 112 15.415 3.485 -6.426 1.00 1.39 H new ATOM 1822 N ASP A 113 10.123 3.894 -0.810 1.00 0.23 N ATOM 1823 CA ASP A 113 11.086 4.039 0.274 1.00 0.24 C ATOM 1824 C ASP A 113 10.452 3.712 1.627 1.00 0.25 C ATOM 1825 O ASP A 113 10.979 2.919 2.413 1.00 0.26 O ATOM 1826 CB ASP A 113 11.649 5.466 0.283 1.00 0.28 C ATOM 1827 CG ASP A 113 12.792 5.642 1.268 1.00 0.39 C ATOM 1828 OD1 ASP A 113 13.947 5.338 0.919 1.00 0.58 O ATOM 1829 OD2 ASP A 113 12.528 6.074 2.411 1.00 0.43 O ATOM 0 H ASP A 113 9.847 4.773 -1.247 1.00 0.23 H new ATOM 0 HA ASP A 113 11.898 3.332 0.106 1.00 0.24 H new ATOM 0 HB2 ASP A 113 11.996 5.721 -0.718 1.00 0.28 H new ATOM 0 HB3 ASP A 113 10.850 6.165 0.531 1.00 0.28 H new ATOM 1834 N ALA A 114 9.298 4.290 1.884 1.00 0.26 N ATOM 1835 CA ALA A 114 8.640 4.094 3.158 1.00 0.28 C ATOM 1836 C ALA A 114 8.132 2.664 3.308 1.00 0.28 C ATOM 1837 O ALA A 114 8.151 2.121 4.413 1.00 0.32 O ATOM 1838 CB ALA A 114 7.516 5.092 3.344 1.00 0.35 C ATOM 0 H ALA A 114 8.799 4.896 1.233 1.00 0.26 H new ATOM 0 HA ALA A 114 9.378 4.265 3.942 1.00 0.28 H new ATOM 0 HB1 ALA A 114 7.037 4.925 4.309 1.00 0.35 H new ATOM 0 HB2 ALA A 114 7.919 6.104 3.310 1.00 0.35 H new ATOM 0 HB3 ALA A 114 6.782 4.966 2.548 1.00 0.35 H new ATOM 1844 N VAL A 115 7.687 2.040 2.215 1.00 0.27 N ATOM 1845 CA VAL A 115 7.231 0.656 2.308 1.00 0.29 C ATOM 1846 C VAL A 115 8.396 -0.312 2.461 1.00 0.30 C ATOM 1847 O VAL A 115 8.250 -1.327 3.119 1.00 0.35 O ATOM 1848 CB VAL A 115 6.364 0.197 1.125 1.00 0.34 C ATOM 1849 CG1 VAL A 115 5.123 1.064 1.008 1.00 0.37 C ATOM 1850 CG2 VAL A 115 7.164 0.184 -0.164 1.00 0.33 C ATOM 0 H VAL A 115 7.634 2.456 1.285 1.00 0.27 H new ATOM 0 HA VAL A 115 6.606 0.640 3.201 1.00 0.29 H new ATOM 0 HB VAL A 115 6.038 -0.826 1.311 1.00 0.34 H new ATOM 0 HG11 VAL A 115 4.521 0.725 0.165 1.00 0.37 H new ATOM 0 HG12 VAL A 115 4.539 0.989 1.925 1.00 0.37 H new ATOM 0 HG13 VAL A 115 5.418 2.101 0.849 1.00 0.37 H new ATOM 0 HG21 VAL A 115 6.526 -0.145 -0.985 1.00 0.33 H new ATOM 0 HG22 VAL A 115 7.535 1.188 -0.372 1.00 0.33 H new ATOM 0 HG23 VAL A 115 8.006 -0.500 -0.063 1.00 0.33 H new ATOM 1860 N LYS A 116 9.551 -0.003 1.867 1.00 0.29 N ATOM 1861 CA LYS A 116 10.716 -0.880 1.998 1.00 0.33 C ATOM 1862 C LYS A 116 11.162 -0.909 3.453 1.00 0.32 C ATOM 1863 O LYS A 116 11.685 -1.911 3.942 1.00 0.40 O ATOM 1864 CB LYS A 116 11.876 -0.393 1.124 1.00 0.44 C ATOM 1865 CG LYS A 116 12.636 0.761 1.740 1.00 0.50 C ATOM 1866 CD LYS A 116 13.794 1.218 0.886 1.00 0.70 C ATOM 1867 CE LYS A 116 14.756 2.053 1.703 1.00 0.97 C ATOM 1868 NZ LYS A 116 15.383 3.135 0.899 1.00 1.48 N ATOM 0 H LYS A 116 9.704 0.832 1.301 1.00 0.29 H new ATOM 0 HA LYS A 116 10.433 -1.880 1.669 1.00 0.33 H new ATOM 0 HB2 LYS A 116 12.563 -1.221 0.948 1.00 0.44 H new ATOM 0 HB3 LYS A 116 11.488 -0.088 0.152 1.00 0.44 H new ATOM 0 HG2 LYS A 116 11.954 1.597 1.898 1.00 0.50 H new ATOM 0 HG3 LYS A 116 13.008 0.464 2.720 1.00 0.50 H new ATOM 0 HD2 LYS A 116 14.313 0.353 0.474 1.00 0.70 H new ATOM 0 HD3 LYS A 116 13.424 1.800 0.042 1.00 0.70 H new ATOM 0 HE2 LYS A 116 14.226 2.492 2.549 1.00 0.97 H new ATOM 0 HE3 LYS A 116 15.535 1.410 2.113 1.00 0.97 H new ATOM 0 HZ1 LYS A 116 16.397 3.189 1.121 1.00 1.48 H new ATOM 0 HZ2 LYS A 116 15.261 2.930 -0.113 1.00 1.48 H new ATOM 0 HZ3 LYS A 116 14.930 4.043 1.126 1.00 1.48 H new ATOM 1882 N LYS A 117 10.969 0.217 4.127 1.00 0.28 N ATOM 1883 CA LYS A 117 11.313 0.339 5.532 1.00 0.31 C ATOM 1884 C LYS A 117 10.288 -0.366 6.426 1.00 0.33 C ATOM 1885 O LYS A 117 10.551 -0.633 7.600 1.00 0.46 O ATOM 1886 CB LYS A 117 11.415 1.813 5.891 1.00 0.39 C ATOM 1887 CG LYS A 117 12.568 2.518 5.199 1.00 0.55 C ATOM 1888 CD LYS A 117 13.898 2.197 5.861 1.00 1.00 C ATOM 1889 CE LYS A 117 13.907 2.633 7.316 1.00 1.77 C ATOM 1890 NZ LYS A 117 15.199 2.337 7.985 1.00 2.58 N ATOM 0 H LYS A 117 10.573 1.063 3.717 1.00 0.28 H new ATOM 0 HA LYS A 117 12.273 -0.148 5.702 1.00 0.31 H new ATOM 0 HB2 LYS A 117 10.482 2.310 5.626 1.00 0.39 H new ATOM 0 HB3 LYS A 117 11.533 1.910 6.970 1.00 0.39 H new ATOM 0 HG2 LYS A 117 12.601 2.220 4.151 1.00 0.55 H new ATOM 0 HG3 LYS A 117 12.401 3.595 5.219 1.00 0.55 H new ATOM 0 HD2 LYS A 117 14.089 1.126 5.799 1.00 1.00 H new ATOM 0 HD3 LYS A 117 14.704 2.696 5.324 1.00 1.00 H new ATOM 0 HE2 LYS A 117 13.707 3.703 7.374 1.00 1.77 H new ATOM 0 HE3 LYS A 117 13.101 2.129 7.849 1.00 1.77 H new ATOM 0 HZ1 LYS A 117 15.157 2.652 8.975 1.00 2.58 H new ATOM 0 HZ2 LYS A 117 15.379 1.313 7.955 1.00 2.58 H new ATOM 0 HZ3 LYS A 117 15.967 2.838 7.494 1.00 2.58 H new ATOM 1904 N TYR A 118 9.126 -0.653 5.861 1.00 0.29 N ATOM 1905 CA TYR A 118 8.060 -1.360 6.573 1.00 0.37 C ATOM 1906 C TYR A 118 8.027 -2.824 6.192 1.00 0.39 C ATOM 1907 O TYR A 118 8.277 -3.705 7.013 1.00 0.50 O ATOM 1908 CB TYR A 118 6.714 -0.742 6.247 1.00 0.41 C ATOM 1909 CG TYR A 118 6.264 0.292 7.254 1.00 0.48 C ATOM 1910 CD1 TYR A 118 5.667 -0.086 8.448 1.00 0.63 C ATOM 1911 CD2 TYR A 118 6.436 1.648 7.005 1.00 0.54 C ATOM 1912 CE1 TYR A 118 5.254 0.858 9.367 1.00 0.71 C ATOM 1913 CE2 TYR A 118 6.024 2.598 7.921 1.00 0.63 C ATOM 1914 CZ TYR A 118 5.439 2.189 9.109 1.00 0.67 C ATOM 1915 OH TYR A 118 5.022 3.137 10.018 1.00 0.77 O ATOM 0 H TYR A 118 8.890 -0.406 4.900 1.00 0.29 H new ATOM 0 HA TYR A 118 8.263 -1.274 7.640 1.00 0.37 H new ATOM 0 HB2 TYR A 118 6.765 -0.279 5.261 1.00 0.41 H new ATOM 0 HB3 TYR A 118 5.965 -1.532 6.190 1.00 0.41 H new ATOM 0 HD1 TYR A 118 5.523 -1.135 8.662 1.00 0.63 H new ATOM 0 HD2 TYR A 118 6.899 1.965 6.082 1.00 0.54 H new ATOM 0 HE1 TYR A 118 4.785 0.546 10.289 1.00 0.71 H new ATOM 0 HE2 TYR A 118 6.157 3.649 7.713 1.00 0.63 H new ATOM 0 HH TYR A 118 5.232 4.032 9.677 1.00 0.77 H new ATOM 1925 N LEU A 119 7.669 -3.068 4.947 1.00 0.33 N ATOM 1926 CA LEU A 119 7.771 -4.383 4.364 1.00 0.36 C ATOM 1927 C LEU A 119 9.105 -4.506 3.658 1.00 0.39 C ATOM 1928 O LEU A 119 9.269 -4.047 2.526 1.00 0.40 O ATOM 1929 CB LEU A 119 6.666 -4.670 3.353 1.00 0.37 C ATOM 1930 CG LEU A 119 6.912 -5.965 2.575 1.00 0.59 C ATOM 1931 CD1 LEU A 119 6.919 -7.159 3.520 1.00 1.15 C ATOM 1932 CD2 LEU A 119 5.902 -6.145 1.455 1.00 1.37 C ATOM 0 H LEU A 119 7.300 -2.358 4.315 1.00 0.33 H new ATOM 0 HA LEU A 119 7.675 -5.103 5.177 1.00 0.36 H new ATOM 0 HB2 LEU A 119 5.710 -4.737 3.872 1.00 0.37 H new ATOM 0 HB3 LEU A 119 6.591 -3.837 2.654 1.00 0.37 H new ATOM 0 HG LEU A 119 7.894 -5.897 2.107 1.00 0.59 H new ATOM 0 HD11 LEU A 119 7.095 -8.072 2.951 1.00 1.15 H new ATOM 0 HD12 LEU A 119 7.710 -7.033 4.259 1.00 1.15 H new ATOM 0 HD13 LEU A 119 5.957 -7.227 4.027 1.00 1.15 H new ATOM 0 HD21 LEU A 119 6.108 -7.075 0.925 1.00 1.37 H new ATOM 0 HD22 LEU A 119 4.897 -6.182 1.874 1.00 1.37 H new ATOM 0 HD23 LEU A 119 5.975 -5.308 0.761 1.00 1.37 H new ATOM 1944 N PRO A 120 10.084 -5.097 4.316 1.00 0.48 N ATOM 1945 CA PRO A 120 11.390 -5.253 3.771 1.00 0.56 C ATOM 1946 C PRO A 120 11.566 -6.593 3.094 1.00 0.53 C ATOM 1947 O PRO A 120 11.090 -7.630 3.564 1.00 0.61 O ATOM 1948 CB PRO A 120 12.288 -5.107 4.996 1.00 0.68 C ATOM 1949 CG PRO A 120 11.380 -5.227 6.185 1.00 0.67 C ATOM 1950 CD PRO A 120 10.037 -5.643 5.653 1.00 0.55 C ATOM 0 HA PRO A 120 11.616 -4.530 2.988 1.00 0.56 H new ATOM 0 HB2 PRO A 120 13.057 -5.879 5.012 1.00 0.68 H new ATOM 0 HB3 PRO A 120 12.802 -4.146 4.992 1.00 0.68 H new ATOM 0 HG2 PRO A 120 11.762 -5.963 6.893 1.00 0.67 H new ATOM 0 HG3 PRO A 120 11.310 -4.279 6.718 1.00 0.67 H new ATOM 0 HD2 PRO A 120 9.912 -6.726 5.651 1.00 0.55 H new ATOM 0 HD3 PRO A 120 9.216 -5.229 6.238 1.00 0.55 H new ATOM 1958 N LEU A 121 12.263 -6.549 1.988 1.00 0.57 N ATOM 1959 CA LEU A 121 12.381 -7.701 1.113 1.00 0.49 C ATOM 1960 C LEU A 121 13.611 -7.583 0.214 1.00 0.53 C ATOM 1961 O LEU A 121 14.221 -8.588 -0.151 1.00 0.56 O ATOM 1962 CB LEU A 121 11.075 -7.911 0.294 1.00 0.50 C ATOM 1963 CG LEU A 121 10.622 -6.823 -0.711 1.00 0.69 C ATOM 1964 CD1 LEU A 121 9.108 -6.769 -0.746 1.00 1.11 C ATOM 1965 CD2 LEU A 121 11.159 -5.431 -0.409 1.00 1.31 C ATOM 0 H LEU A 121 12.764 -5.722 1.664 1.00 0.57 H new ATOM 0 HA LEU A 121 12.521 -8.588 1.730 1.00 0.49 H new ATOM 0 HB2 LEU A 121 11.184 -8.843 -0.261 1.00 0.50 H new ATOM 0 HB3 LEU A 121 10.263 -8.056 1.006 1.00 0.50 H new ATOM 0 HG LEU A 121 11.037 -7.113 -1.676 1.00 0.69 H new ATOM 0 HD11 LEU A 121 8.787 -6.004 -1.453 1.00 1.11 H new ATOM 0 HD12 LEU A 121 8.716 -7.737 -1.057 1.00 1.11 H new ATOM 0 HD13 LEU A 121 8.730 -6.527 0.247 1.00 1.11 H new ATOM 0 HD21 LEU A 121 10.795 -4.730 -1.160 1.00 1.31 H new ATOM 0 HD22 LEU A 121 10.819 -5.116 0.577 1.00 1.31 H new ATOM 0 HD23 LEU A 121 12.249 -5.449 -0.428 1.00 1.31 H new