USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 754 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 97 HIS : no HD1:sc= -1.12 K(o=-2.1,f=-3.7!) USER MOD Set 1.2: A 99 TYR OH : rot 180:sc= -0.984 USER MOD Set 2.1: A 48 LYS NZ :NH3+ -138:sc= -0.0561 (180deg=-1.34) USER MOD Set 2.2: A 84 TYR OH : rot 0:sc= -1.2 USER MOD Set 3.1: A 49 ASN : amide:sc= -0.197 K(o=-0.2,f=-1.4) USER MOD Set 3.2: A 83 ASN : amide:sc= 0 K(o=-0.2,f=-1.6) USER MOD Set 4.1: A 75 SER OG : rot -6:sc= -1.42! USER MOD Set 4.2: A 79 SER OG : rot 103:sc= 0.249 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -1.03 K(o=-1,f=-4!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0672 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -120:sc= -1.74 (180deg=-6.37!) USER MOD Single : A 28 ASN : amide:sc= -0.0099 X(o=-0.0099,f=-0.24) USER MOD Single : A 29 THR OG1 : rot 30:sc= -0.373 USER MOD Single : A 31 LYS NZ :NH3+ -176:sc= -1.3 (180deg=-1.3) USER MOD Single : A 39 ASN : amide:sc= -4.59! C(o=-4.6!,f=-14!) USER MOD Single : A 41 MET CE :methyl 165:sc=-0.00532 (180deg=-0.206) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -160:sc= 1.19 (180deg=1.15) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.053 K(o=-0.053,f=-1.9!) USER MOD Single : A 67 GLN : amide:sc= -0.171 K(o=-0.17,f=-0.79) USER MOD Single : A 68 HIS : no HE2:sc= -5.74! C(o=-5.7!,f=-5.7!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl -168:sc= -3.54! (180deg=-3.89!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot -2:sc= -1.83! USER MOD Single : A 90 ASN : amide:sc= -2.67 X(o=-2.7,f=-2.9) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot -132:sc= -0.0299 USER MOD Single : A 96 ASN : amide:sc= -1.01 K(o=-1,f=-0.33) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 HIS : no HD1:sc= -0.135 X(o=-0.13,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 15 N ASN A 5 -1.345 22.156 -3.224 1.00 0.76 N ATOM 16 CA ASN A 5 -0.523 21.673 -2.118 1.00 0.53 C ATOM 17 C ASN A 5 -1.038 20.312 -1.639 1.00 0.49 C ATOM 18 O ASN A 5 -1.544 19.531 -2.439 1.00 0.60 O ATOM 19 CB ASN A 5 -0.518 22.682 -0.962 1.00 0.52 C ATOM 20 CG ASN A 5 -0.757 24.115 -1.408 1.00 0.63 C ATOM 21 OD1 ASN A 5 0.141 24.772 -1.935 1.00 1.19 O ATOM 22 ND2 ASN A 5 -1.973 24.604 -1.195 1.00 1.41 N ATOM 0 HA ASN A 5 0.502 21.559 -2.471 1.00 0.53 H new ATOM 0 HB2 ASN A 5 -1.286 22.401 -0.242 1.00 0.52 H new ATOM 0 HB3 ASN A 5 0.440 22.626 -0.445 1.00 0.52 H new ATOM 0 HD21 ASN A 5 -2.194 25.561 -1.472 1.00 1.41 H new ATOM 0 HD22 ASN A 5 -2.686 24.023 -0.755 1.00 1.41 H new ATOM 29 N LYS A 6 -0.911 20.025 -0.341 1.00 0.45 N ATOM 30 CA LYS A 6 -1.372 18.754 0.203 1.00 0.49 C ATOM 31 C LYS A 6 -2.877 18.775 0.462 1.00 0.49 C ATOM 32 O LYS A 6 -3.397 19.679 1.116 1.00 0.56 O ATOM 33 CB LYS A 6 -0.620 18.431 1.493 1.00 0.64 C ATOM 34 CG LYS A 6 0.721 17.753 1.257 1.00 1.28 C ATOM 35 CD LYS A 6 1.800 18.763 0.901 1.00 1.76 C ATOM 36 CE LYS A 6 3.063 18.550 1.721 1.00 2.52 C ATOM 37 NZ LYS A 6 4.187 19.402 1.245 1.00 3.06 N ATOM 0 H LYS A 6 -0.495 20.654 0.346 1.00 0.45 H new ATOM 0 HA LYS A 6 -1.168 17.978 -0.535 1.00 0.49 H new ATOM 0 HB2 LYS A 6 -0.459 19.353 2.052 1.00 0.64 H new ATOM 0 HB3 LYS A 6 -1.241 17.786 2.115 1.00 0.64 H new ATOM 0 HG2 LYS A 6 1.015 17.205 2.152 1.00 1.28 H new ATOM 0 HG3 LYS A 6 0.625 17.023 0.453 1.00 1.28 H new ATOM 0 HD2 LYS A 6 2.037 18.683 -0.160 1.00 1.76 H new ATOM 0 HD3 LYS A 6 1.423 19.772 1.068 1.00 1.76 H new ATOM 0 HE2 LYS A 6 2.857 18.773 2.768 1.00 2.52 H new ATOM 0 HE3 LYS A 6 3.356 17.501 1.670 1.00 2.52 H new ATOM 0 HZ1 LYS A 6 5.028 19.226 1.831 1.00 3.06 H new ATOM 0 HZ2 LYS A 6 4.401 19.172 0.254 1.00 3.06 H new ATOM 0 HZ3 LYS A 6 3.918 20.404 1.318 1.00 3.06 H new ATOM 51 N ARG A 7 -3.565 17.760 -0.055 1.00 0.50 N ATOM 52 CA ARG A 7 -5.006 17.627 0.108 1.00 0.52 C ATOM 53 C ARG A 7 -5.403 16.150 0.104 1.00 0.47 C ATOM 54 O ARG A 7 -5.137 15.423 -0.866 1.00 0.43 O ATOM 55 CB ARG A 7 -5.758 18.370 -1.000 1.00 0.57 C ATOM 56 CG ARG A 7 -5.539 19.872 -0.981 1.00 0.77 C ATOM 57 CD ARG A 7 -4.231 20.241 -1.652 1.00 0.64 C ATOM 58 NE ARG A 7 -4.437 20.846 -2.963 1.00 0.98 N ATOM 59 CZ ARG A 7 -5.052 22.010 -3.149 1.00 1.66 C ATOM 60 NH1 ARG A 7 -5.496 22.701 -2.109 1.00 2.46 N ATOM 61 NH2 ARG A 7 -5.217 22.485 -4.376 1.00 2.11 N ATOM 0 H ARG A 7 -3.138 17.009 -0.597 1.00 0.50 H new ATOM 0 HA ARG A 7 -5.279 18.072 1.065 1.00 0.52 H new ATOM 0 HB2 ARG A 7 -5.444 17.978 -1.967 1.00 0.57 H new ATOM 0 HB3 ARG A 7 -6.824 18.165 -0.904 1.00 0.57 H new ATOM 0 HG2 ARG A 7 -6.365 20.370 -1.489 1.00 0.77 H new ATOM 0 HG3 ARG A 7 -5.537 20.229 0.049 1.00 0.77 H new ATOM 0 HD2 ARG A 7 -3.681 20.935 -1.016 1.00 0.64 H new ATOM 0 HD3 ARG A 7 -3.614 19.348 -1.758 1.00 0.64 H new ATOM 0 HE ARG A 7 -4.090 20.348 -3.783 1.00 0.98 H new ATOM 0 HH11 ARG A 7 -5.366 22.340 -1.164 1.00 2.46 H new ATOM 0 HH12 ARG A 7 -5.968 23.594 -2.254 1.00 2.46 H new ATOM 0 HH21 ARG A 7 -4.872 21.957 -5.178 1.00 2.11 H new ATOM 0 HH22 ARG A 7 -5.689 23.378 -4.518 1.00 2.11 H new ATOM 75 N ALA A 8 -6.035 15.724 1.197 1.00 0.50 N ATOM 76 CA ALA A 8 -6.475 14.339 1.373 1.00 0.47 C ATOM 77 C ALA A 8 -7.006 13.721 0.076 1.00 0.44 C ATOM 78 O ALA A 8 -8.027 14.161 -0.450 1.00 0.56 O ATOM 79 CB ALA A 8 -7.547 14.274 2.450 1.00 0.54 C ATOM 0 H ALA A 8 -6.257 16.330 1.987 1.00 0.50 H new ATOM 0 HA ALA A 8 -5.603 13.758 1.674 1.00 0.47 H new ATOM 0 HB1 ALA A 8 -7.872 13.241 2.578 1.00 0.54 H new ATOM 0 HB2 ALA A 8 -7.141 14.646 3.391 1.00 0.54 H new ATOM 0 HB3 ALA A 8 -8.398 14.888 2.154 1.00 0.54 H new ATOM 85 N PRO A 9 -6.325 12.687 -0.456 1.00 0.36 N ATOM 86 CA PRO A 9 -6.746 12.016 -1.686 1.00 0.37 C ATOM 87 C PRO A 9 -7.951 11.108 -1.470 1.00 0.37 C ATOM 88 O PRO A 9 -7.971 10.287 -0.552 1.00 0.40 O ATOM 89 CB PRO A 9 -5.525 11.181 -2.101 1.00 0.39 C ATOM 90 CG PRO A 9 -4.432 11.536 -1.143 1.00 0.51 C ATOM 91 CD PRO A 9 -5.101 12.083 0.085 1.00 0.41 C ATOM 0 HA PRO A 9 -7.056 12.738 -2.442 1.00 0.37 H new ATOM 0 HB2 PRO A 9 -5.749 10.115 -2.058 1.00 0.39 H new ATOM 0 HB3 PRO A 9 -5.231 11.404 -3.127 1.00 0.39 H new ATOM 0 HG2 PRO A 9 -3.830 10.660 -0.899 1.00 0.51 H new ATOM 0 HG3 PRO A 9 -3.759 12.274 -1.579 1.00 0.51 H new ATOM 0 HD2 PRO A 9 -5.322 11.299 0.809 1.00 0.41 H new ATOM 0 HD3 PRO A 9 -4.477 12.818 0.593 1.00 0.41 H new ATOM 99 N TYR A 10 -8.953 11.258 -2.329 1.00 0.38 N ATOM 100 CA TYR A 10 -10.165 10.451 -2.248 1.00 0.41 C ATOM 101 C TYR A 10 -9.982 9.135 -2.998 1.00 0.38 C ATOM 102 O TYR A 10 -9.206 9.055 -3.949 1.00 0.44 O ATOM 103 CB TYR A 10 -11.357 11.222 -2.818 1.00 0.49 C ATOM 104 CG TYR A 10 -11.551 12.585 -2.192 1.00 1.15 C ATOM 105 CD1 TYR A 10 -12.322 12.739 -1.047 1.00 2.02 C ATOM 106 CD2 TYR A 10 -10.964 13.716 -2.748 1.00 1.90 C ATOM 107 CE1 TYR A 10 -12.503 13.983 -0.473 1.00 2.96 C ATOM 108 CE2 TYR A 10 -11.141 14.963 -2.179 1.00 2.78 C ATOM 109 CZ TYR A 10 -11.905 15.090 -1.039 1.00 3.18 C ATOM 110 OH TYR A 10 -12.090 16.330 -0.472 1.00 4.20 O ATOM 0 H TYR A 10 -8.949 11.934 -3.093 1.00 0.38 H new ATOM 0 HA TYR A 10 -10.361 10.229 -1.199 1.00 0.41 H new ATOM 0 HB2 TYR A 10 -11.222 11.341 -3.893 1.00 0.49 H new ATOM 0 HB3 TYR A 10 -12.263 10.633 -2.674 1.00 0.49 H new ATOM 0 HD1 TYR A 10 -12.787 11.874 -0.599 1.00 2.02 H new ATOM 0 HD2 TYR A 10 -10.360 13.619 -3.638 1.00 1.90 H new ATOM 0 HE1 TYR A 10 -13.110 14.088 0.414 1.00 2.96 H new ATOM 0 HE2 TYR A 10 -10.683 15.833 -2.625 1.00 2.78 H new ATOM 0 HH TYR A 10 -11.601 17.003 -0.990 1.00 4.20 H new ATOM 120 N TRP A 11 -10.704 8.106 -2.567 1.00 0.47 N ATOM 121 CA TRP A 11 -10.618 6.798 -3.205 1.00 0.49 C ATOM 122 C TRP A 11 -11.359 6.798 -4.540 1.00 0.42 C ATOM 123 O TRP A 11 -12.436 7.381 -4.663 1.00 0.45 O ATOM 124 CB TRP A 11 -11.197 5.720 -2.288 1.00 0.60 C ATOM 125 CG TRP A 11 -12.603 6.004 -1.852 1.00 0.83 C ATOM 126 CD1 TRP A 11 -13.005 6.485 -0.640 1.00 1.71 C ATOM 127 CD2 TRP A 11 -13.794 5.825 -2.628 1.00 1.65 C ATOM 128 NE1 TRP A 11 -14.373 6.617 -0.613 1.00 2.26 N ATOM 129 CE2 TRP A 11 -14.879 6.220 -1.821 1.00 2.17 C ATOM 130 CE3 TRP A 11 -14.048 5.372 -3.925 1.00 2.60 C ATOM 131 CZ2 TRP A 11 -16.197 6.172 -2.272 1.00 3.03 C ATOM 132 CZ3 TRP A 11 -15.357 5.328 -4.372 1.00 3.54 C ATOM 133 CH2 TRP A 11 -16.416 5.725 -3.546 1.00 3.60 C ATOM 0 H TRP A 11 -11.353 8.152 -1.781 1.00 0.47 H new ATOM 0 HA TRP A 11 -9.566 6.579 -3.391 1.00 0.49 H new ATOM 0 HB2 TRP A 11 -11.171 4.761 -2.805 1.00 0.60 H new ATOM 0 HB3 TRP A 11 -10.563 5.624 -1.406 1.00 0.60 H new ATOM 0 HD1 TRP A 11 -12.344 6.727 0.179 1.00 1.71 H new ATOM 0 HE1 TRP A 11 -14.921 6.955 0.178 1.00 2.26 H new ATOM 0 HE3 TRP A 11 -13.237 5.062 -4.567 1.00 2.60 H new ATOM 0 HZ2 TRP A 11 -17.016 6.477 -1.638 1.00 3.03 H new ATOM 0 HZ3 TRP A 11 -15.565 4.982 -5.374 1.00 3.54 H new ATOM 0 HH2 TRP A 11 -17.427 5.677 -3.923 1.00 3.60 H new ATOM 144 N THR A 12 -10.773 6.143 -5.535 1.00 0.45 N ATOM 145 CA THR A 12 -11.376 6.072 -6.860 1.00 0.50 C ATOM 146 C THR A 12 -11.759 4.638 -7.215 1.00 0.55 C ATOM 147 O THR A 12 -12.940 4.316 -7.354 1.00 0.64 O ATOM 148 CB THR A 12 -10.423 6.618 -7.942 1.00 0.61 C ATOM 149 OG1 THR A 12 -9.124 6.845 -7.382 1.00 1.28 O ATOM 150 CG2 THR A 12 -10.957 7.915 -8.531 1.00 1.23 C ATOM 0 H THR A 12 -9.882 5.654 -5.450 1.00 0.45 H new ATOM 0 HA THR A 12 -12.274 6.689 -6.831 1.00 0.50 H new ATOM 0 HB THR A 12 -10.353 5.877 -8.738 1.00 0.61 H new ATOM 0 HG1 THR A 12 -8.524 7.190 -8.076 1.00 1.28 H new ATOM 0 HG21 THR A 12 -10.267 8.280 -9.292 1.00 1.23 H new ATOM 0 HG22 THR A 12 -11.933 7.735 -8.982 1.00 1.23 H new ATOM 0 HG23 THR A 12 -11.054 8.660 -7.742 1.00 1.23 H new ATOM 158 N ASN A 13 -10.753 3.785 -7.362 1.00 0.56 N ATOM 159 CA ASN A 13 -10.978 2.386 -7.709 1.00 0.66 C ATOM 160 C ASN A 13 -11.332 1.559 -6.479 1.00 0.63 C ATOM 161 O ASN A 13 -10.718 1.704 -5.422 1.00 0.58 O ATOM 162 CB ASN A 13 -9.732 1.799 -8.372 1.00 0.73 C ATOM 163 CG ASN A 13 -9.074 2.774 -9.329 1.00 1.35 C ATOM 164 OD1 ASN A 13 -7.847 2.834 -9.427 1.00 2.05 O ATOM 165 ND2 ASN A 13 -9.888 3.546 -10.039 1.00 1.96 N ATOM 0 H ASN A 13 -9.772 4.037 -7.246 1.00 0.56 H new ATOM 0 HA ASN A 13 -11.817 2.349 -8.404 1.00 0.66 H new ATOM 0 HB2 ASN A 13 -9.016 1.510 -7.603 1.00 0.73 H new ATOM 0 HB3 ASN A 13 -10.004 0.892 -8.911 1.00 0.73 H new ATOM 0 HD21 ASN A 13 -9.503 4.223 -10.698 1.00 1.96 H new ATOM 0 HD22 ASN A 13 -10.898 3.462 -9.926 1.00 1.96 H new ATOM 172 N THR A 14 -12.315 0.676 -6.630 1.00 0.74 N ATOM 173 CA THR A 14 -12.731 -0.188 -5.536 1.00 0.78 C ATOM 174 C THR A 14 -11.623 -1.177 -5.208 1.00 0.76 C ATOM 175 O THR A 14 -11.253 -2.012 -6.038 1.00 0.78 O ATOM 176 CB THR A 14 -14.016 -0.961 -5.878 1.00 0.92 C ATOM 177 OG1 THR A 14 -14.193 -1.013 -7.298 1.00 1.06 O ATOM 178 CG2 THR A 14 -15.228 -0.304 -5.234 1.00 1.15 C ATOM 0 H THR A 14 -12.835 0.542 -7.497 1.00 0.74 H new ATOM 0 HA THR A 14 -12.934 0.447 -4.674 1.00 0.78 H new ATOM 0 HB THR A 14 -13.920 -1.974 -5.488 1.00 0.92 H new ATOM 0 HG1 THR A 14 -15.012 -1.508 -7.508 1.00 1.06 H new ATOM 0 HG21 THR A 14 -16.126 -0.867 -5.489 1.00 1.15 H new ATOM 0 HG22 THR A 14 -15.103 -0.292 -4.151 1.00 1.15 H new ATOM 0 HG23 THR A 14 -15.325 0.718 -5.600 1.00 1.15 H new ATOM 186 N GLU A 15 -11.107 -1.104 -3.991 1.00 0.76 N ATOM 187 CA GLU A 15 -10.047 -2.007 -3.570 1.00 0.77 C ATOM 188 C GLU A 15 -10.603 -3.383 -3.207 1.00 0.82 C ATOM 189 O GLU A 15 -9.861 -4.364 -3.084 1.00 0.82 O ATOM 190 CB GLU A 15 -9.291 -1.415 -2.377 1.00 0.79 C ATOM 191 CG GLU A 15 -10.190 -0.790 -1.322 1.00 1.35 C ATOM 192 CD GLU A 15 -10.338 0.709 -1.498 1.00 1.75 C ATOM 193 OE1 GLU A 15 -10.582 1.153 -2.639 1.00 2.06 O ATOM 194 OE2 GLU A 15 -10.210 1.440 -0.492 1.00 2.50 O ATOM 0 H GLU A 15 -11.402 -0.433 -3.281 1.00 0.76 H new ATOM 0 HA GLU A 15 -9.358 -2.130 -4.406 1.00 0.77 H new ATOM 0 HB2 GLU A 15 -8.695 -2.200 -1.912 1.00 0.79 H new ATOM 0 HB3 GLU A 15 -8.595 -0.659 -2.740 1.00 0.79 H new ATOM 0 HG2 GLU A 15 -11.174 -1.256 -1.366 1.00 1.35 H new ATOM 0 HG3 GLU A 15 -9.782 -0.998 -0.333 1.00 1.35 H new ATOM 201 N LYS A 16 -11.912 -3.468 -3.067 1.00 0.88 N ATOM 202 CA LYS A 16 -12.529 -4.735 -2.743 1.00 0.95 C ATOM 203 C LYS A 16 -12.617 -5.629 -3.971 1.00 0.98 C ATOM 204 O LYS A 16 -13.022 -6.787 -3.870 1.00 1.01 O ATOM 205 CB LYS A 16 -13.913 -4.543 -2.115 1.00 1.04 C ATOM 206 CG LYS A 16 -14.708 -3.399 -2.717 1.00 1.44 C ATOM 207 CD LYS A 16 -16.189 -3.513 -2.383 1.00 1.61 C ATOM 208 CE LYS A 16 -16.837 -4.677 -3.118 1.00 2.37 C ATOM 209 NZ LYS A 16 -17.824 -5.395 -2.265 1.00 2.83 N ATOM 0 H LYS A 16 -12.559 -2.686 -3.171 1.00 0.88 H new ATOM 0 HA LYS A 16 -11.894 -5.226 -2.006 1.00 0.95 H new ATOM 0 HB2 LYS A 16 -14.482 -5.466 -2.225 1.00 1.04 H new ATOM 0 HB3 LYS A 16 -13.795 -4.367 -1.046 1.00 1.04 H new ATOM 0 HG2 LYS A 16 -14.322 -2.450 -2.344 1.00 1.44 H new ATOM 0 HG3 LYS A 16 -14.577 -3.393 -3.799 1.00 1.44 H new ATOM 0 HD2 LYS A 16 -16.312 -3.646 -1.308 1.00 1.61 H new ATOM 0 HD3 LYS A 16 -16.696 -2.585 -2.649 1.00 1.61 H new ATOM 0 HE2 LYS A 16 -17.334 -4.308 -4.015 1.00 2.37 H new ATOM 0 HE3 LYS A 16 -16.065 -5.374 -3.445 1.00 2.37 H new ATOM 0 HZ1 LYS A 16 -18.242 -6.180 -2.804 1.00 2.83 H new ATOM 0 HZ2 LYS A 16 -17.346 -5.770 -1.421 1.00 2.83 H new ATOM 0 HZ3 LYS A 16 -18.575 -4.737 -1.974 1.00 2.83 H new ATOM 223 N MET A 17 -12.245 -5.099 -5.138 1.00 0.98 N ATOM 224 CA MET A 17 -12.305 -5.885 -6.358 1.00 1.04 C ATOM 225 C MET A 17 -10.996 -6.637 -6.600 1.00 1.03 C ATOM 226 O MET A 17 -10.854 -7.321 -7.614 1.00 1.17 O ATOM 227 CB MET A 17 -12.614 -4.983 -7.553 1.00 1.21 C ATOM 228 CG MET A 17 -14.078 -4.580 -7.651 1.00 1.44 C ATOM 229 SD MET A 17 -14.905 -5.308 -9.078 1.00 1.83 S ATOM 230 CE MET A 17 -16.563 -5.527 -8.435 1.00 2.16 C ATOM 0 H MET A 17 -11.905 -4.145 -5.257 1.00 0.98 H new ATOM 0 HA MET A 17 -13.103 -6.619 -6.243 1.00 1.04 H new ATOM 0 HB2 MET A 17 -12.002 -4.083 -7.486 1.00 1.21 H new ATOM 0 HB3 MET A 17 -12.325 -5.497 -8.470 1.00 1.21 H new ATOM 0 HG2 MET A 17 -14.596 -4.884 -6.742 1.00 1.44 H new ATOM 0 HG3 MET A 17 -14.149 -3.494 -7.710 1.00 1.44 H new ATOM 0 HE1 MET A 17 -17.196 -5.970 -9.204 1.00 2.16 H new ATOM 0 HE2 MET A 17 -16.533 -6.185 -7.567 1.00 2.16 H new ATOM 0 HE3 MET A 17 -16.971 -4.559 -8.142 1.00 2.16 H new ATOM 240 N GLU A 18 -10.040 -6.530 -5.667 1.00 0.95 N ATOM 241 CA GLU A 18 -8.758 -7.240 -5.822 1.00 1.06 C ATOM 242 C GLU A 18 -7.682 -6.818 -4.817 1.00 0.96 C ATOM 243 O GLU A 18 -6.522 -7.196 -4.979 1.00 1.57 O ATOM 244 CB GLU A 18 -8.207 -7.049 -7.241 1.00 1.43 C ATOM 245 CG GLU A 18 -8.356 -5.631 -7.773 1.00 1.29 C ATOM 246 CD GLU A 18 -8.592 -5.595 -9.271 1.00 2.13 C ATOM 247 OE1 GLU A 18 -7.682 -5.996 -10.026 1.00 2.88 O ATOM 248 OE2 GLU A 18 -9.687 -5.165 -9.688 1.00 2.56 O ATOM 0 H GLU A 18 -10.123 -5.974 -4.816 1.00 0.95 H new ATOM 0 HA GLU A 18 -8.986 -8.288 -5.628 1.00 1.06 H new ATOM 0 HB2 GLU A 18 -7.152 -7.321 -7.250 1.00 1.43 H new ATOM 0 HB3 GLU A 18 -8.719 -7.735 -7.915 1.00 1.43 H new ATOM 0 HG2 GLU A 18 -9.187 -5.141 -7.266 1.00 1.29 H new ATOM 0 HG3 GLU A 18 -7.458 -5.061 -7.536 1.00 1.29 H new ATOM 255 N LYS A 19 -8.020 -6.013 -3.813 1.00 0.84 N ATOM 256 CA LYS A 19 -7.003 -5.561 -2.874 1.00 1.08 C ATOM 257 C LYS A 19 -7.235 -6.053 -1.444 1.00 0.87 C ATOM 258 O LYS A 19 -6.306 -6.570 -0.826 1.00 0.87 O ATOM 259 CB LYS A 19 -6.875 -4.034 -2.915 1.00 1.66 C ATOM 260 CG LYS A 19 -7.340 -3.401 -4.226 1.00 2.57 C ATOM 261 CD LYS A 19 -6.505 -3.834 -5.418 1.00 2.87 C ATOM 262 CE LYS A 19 -6.682 -2.877 -6.589 1.00 3.55 C ATOM 263 NZ LYS A 19 -8.103 -2.790 -7.020 1.00 4.14 N ATOM 0 H LYS A 19 -8.963 -5.669 -3.633 1.00 0.84 H new ATOM 0 HA LYS A 19 -6.063 -6.008 -3.197 1.00 1.08 H new ATOM 0 HB2 LYS A 19 -7.454 -3.610 -2.095 1.00 1.66 H new ATOM 0 HB3 LYS A 19 -5.833 -3.763 -2.743 1.00 1.66 H new ATOM 0 HG2 LYS A 19 -8.382 -3.667 -4.403 1.00 2.57 H new ATOM 0 HG3 LYS A 19 -7.299 -2.316 -4.135 1.00 2.57 H new ATOM 0 HD2 LYS A 19 -5.454 -3.875 -5.134 1.00 2.87 H new ATOM 0 HD3 LYS A 19 -6.793 -4.841 -5.721 1.00 2.87 H new ATOM 0 HE2 LYS A 19 -6.327 -1.886 -6.306 1.00 3.55 H new ATOM 0 HE3 LYS A 19 -6.068 -3.209 -7.426 1.00 3.55 H new ATOM 0 HZ1 LYS A 19 -8.184 -3.090 -8.012 1.00 4.14 H new ATOM 0 HZ2 LYS A 19 -8.686 -3.410 -6.422 1.00 4.14 H new ATOM 0 HZ3 LYS A 19 -8.434 -1.809 -6.927 1.00 4.14 H new ATOM 277 N ARG A 20 -8.450 -5.918 -0.901 1.00 0.98 N ATOM 278 CA ARG A 20 -8.673 -6.394 0.468 1.00 0.92 C ATOM 279 C ARG A 20 -8.576 -7.908 0.512 1.00 0.94 C ATOM 280 O ARG A 20 -7.478 -8.441 0.614 1.00 1.30 O ATOM 281 CB ARG A 20 -9.988 -5.912 1.108 1.00 0.95 C ATOM 282 CG ARG A 20 -11.023 -5.374 0.148 1.00 1.64 C ATOM 283 CD ARG A 20 -12.176 -4.723 0.895 1.00 2.15 C ATOM 284 NE ARG A 20 -13.378 -5.548 0.884 1.00 2.67 N ATOM 285 CZ ARG A 20 -14.423 -5.334 1.677 1.00 3.29 C ATOM 286 NH1 ARG A 20 -14.405 -4.329 2.543 1.00 3.51 N ATOM 287 NH2 ARG A 20 -15.486 -6.122 1.605 1.00 4.11 N ATOM 0 H ARG A 20 -9.260 -5.503 -1.362 1.00 0.98 H new ATOM 0 HA ARG A 20 -7.883 -5.949 1.073 1.00 0.92 H new ATOM 0 HB2 ARG A 20 -10.428 -6.742 1.660 1.00 0.95 H new ATOM 0 HB3 ARG A 20 -9.754 -5.134 1.835 1.00 0.95 H new ATOM 0 HG2 ARG A 20 -10.561 -4.647 -0.519 1.00 1.64 H new ATOM 0 HG3 ARG A 20 -11.401 -6.184 -0.476 1.00 1.64 H new ATOM 0 HD2 ARG A 20 -11.877 -4.534 1.926 1.00 2.15 H new ATOM 0 HD3 ARG A 20 -12.398 -3.756 0.445 1.00 2.15 H new ATOM 0 HE ARG A 20 -13.419 -6.332 0.233 1.00 2.67 H new ATOM 0 HH11 ARG A 20 -13.589 -3.720 2.601 1.00 3.51 H new ATOM 0 HH12 ARG A 20 -15.207 -4.165 3.151 1.00 3.51 H new ATOM 0 HH21 ARG A 20 -15.504 -6.895 0.940 1.00 4.11 H new ATOM 0 HH22 ARG A 20 -16.287 -5.955 2.215 1.00 4.11 H new ATOM 348 N VAL A 24 -3.039 -14.636 -2.509 1.00 0.78 N ATOM 349 CA VAL A 24 -1.655 -14.331 -2.854 1.00 0.74 C ATOM 350 C VAL A 24 -0.755 -15.554 -2.674 1.00 0.68 C ATOM 351 O VAL A 24 -0.849 -16.260 -1.671 1.00 0.77 O ATOM 352 CB VAL A 24 -1.106 -13.173 -2.000 1.00 0.81 C ATOM 353 CG1 VAL A 24 0.259 -12.733 -2.507 1.00 1.32 C ATOM 354 CG2 VAL A 24 -2.080 -12.007 -1.989 1.00 1.30 C ATOM 0 HA VAL A 24 -1.651 -14.034 -3.903 1.00 0.74 H new ATOM 0 HB VAL A 24 -0.989 -13.527 -0.976 1.00 0.81 H new ATOM 0 HG11 VAL A 24 0.630 -11.914 -1.890 1.00 1.32 H new ATOM 0 HG12 VAL A 24 0.954 -13.571 -2.454 1.00 1.32 H new ATOM 0 HG13 VAL A 24 0.173 -12.398 -3.541 1.00 1.32 H new ATOM 0 HG21 VAL A 24 -1.674 -11.199 -1.380 1.00 1.30 H new ATOM 0 HG22 VAL A 24 -2.234 -11.652 -3.008 1.00 1.30 H new ATOM 0 HG23 VAL A 24 -3.033 -12.333 -1.571 1.00 1.30 H new ATOM 364 N PRO A 25 0.135 -15.820 -3.650 1.00 0.61 N ATOM 365 CA PRO A 25 1.050 -16.960 -3.595 1.00 0.63 C ATOM 366 C PRO A 25 2.298 -16.664 -2.767 1.00 0.57 C ATOM 367 O PRO A 25 2.817 -15.549 -2.786 1.00 0.52 O ATOM 368 CB PRO A 25 1.420 -17.161 -5.059 1.00 0.72 C ATOM 369 CG PRO A 25 1.386 -15.789 -5.640 1.00 0.71 C ATOM 370 CD PRO A 25 0.317 -15.034 -4.887 1.00 0.65 C ATOM 0 HA PRO A 25 0.599 -17.832 -3.122 1.00 0.63 H new ATOM 0 HB2 PRO A 25 2.407 -17.612 -5.161 1.00 0.72 H new ATOM 0 HB3 PRO A 25 0.714 -17.823 -5.560 1.00 0.72 H new ATOM 0 HG2 PRO A 25 2.354 -15.299 -5.536 1.00 0.71 H new ATOM 0 HG3 PRO A 25 1.159 -15.824 -6.706 1.00 0.71 H new ATOM 0 HD2 PRO A 25 0.627 -14.012 -4.669 1.00 0.65 H new ATOM 0 HD3 PRO A 25 -0.608 -14.971 -5.461 1.00 0.65 H new ATOM 378 N ALA A 26 2.774 -17.674 -2.045 1.00 0.61 N ATOM 379 CA ALA A 26 3.963 -17.521 -1.214 1.00 0.60 C ATOM 380 C ALA A 26 5.227 -17.483 -2.065 1.00 0.54 C ATOM 381 O ALA A 26 5.270 -18.047 -3.158 1.00 0.58 O ATOM 382 CB ALA A 26 4.044 -18.651 -0.197 1.00 0.71 C ATOM 0 H ALA A 26 2.356 -18.604 -2.019 1.00 0.61 H new ATOM 0 HA ALA A 26 3.885 -16.572 -0.683 1.00 0.60 H new ATOM 0 HB1 ALA A 26 4.936 -18.525 0.417 1.00 0.71 H new ATOM 0 HB2 ALA A 26 3.160 -18.631 0.440 1.00 0.71 H new ATOM 0 HB3 ALA A 26 4.095 -19.607 -0.718 1.00 0.71 H new ATOM 388 N ALA A 27 6.257 -16.810 -1.555 1.00 0.50 N ATOM 389 CA ALA A 27 7.530 -16.689 -2.264 1.00 0.48 C ATOM 390 C ALA A 27 7.438 -15.713 -3.441 1.00 0.43 C ATOM 391 O ALA A 27 8.409 -15.528 -4.174 1.00 0.46 O ATOM 392 CB ALA A 27 7.998 -18.054 -2.749 1.00 0.55 C ATOM 0 H ALA A 27 6.235 -16.339 -0.651 1.00 0.50 H new ATOM 0 HA ALA A 27 8.259 -16.289 -1.560 1.00 0.48 H new ATOM 0 HB1 ALA A 27 8.947 -17.948 -3.275 1.00 0.55 H new ATOM 0 HB2 ALA A 27 8.129 -18.718 -1.895 1.00 0.55 H new ATOM 0 HB3 ALA A 27 7.254 -18.475 -3.425 1.00 0.55 H new ATOM 398 N ASN A 28 6.274 -15.090 -3.617 1.00 0.39 N ATOM 399 CA ASN A 28 6.072 -14.139 -4.704 1.00 0.36 C ATOM 400 C ASN A 28 6.035 -12.711 -4.172 1.00 0.30 C ATOM 401 O ASN A 28 5.950 -12.491 -2.964 1.00 0.29 O ATOM 402 CB ASN A 28 4.778 -14.453 -5.454 1.00 0.40 C ATOM 403 CG ASN A 28 5.006 -14.662 -6.937 1.00 0.77 C ATOM 404 OD1 ASN A 28 5.932 -15.366 -7.342 1.00 1.42 O ATOM 405 ND2 ASN A 28 4.162 -14.049 -7.759 1.00 1.36 N ATOM 0 H ASN A 28 5.458 -15.228 -3.020 1.00 0.39 H new ATOM 0 HA ASN A 28 6.910 -14.230 -5.395 1.00 0.36 H new ATOM 0 HB2 ASN A 28 4.323 -15.348 -5.029 1.00 0.40 H new ATOM 0 HB3 ASN A 28 4.070 -13.637 -5.309 1.00 0.40 H new ATOM 0 HD21 ASN A 28 4.267 -14.152 -8.768 1.00 1.36 H new ATOM 0 HD22 ASN A 28 3.408 -13.475 -7.381 1.00 1.36 H new ATOM 412 N THR A 29 6.092 -11.740 -5.079 1.00 0.30 N ATOM 413 CA THR A 29 6.061 -10.337 -4.691 1.00 0.28 C ATOM 414 C THR A 29 4.630 -9.906 -4.393 1.00 0.30 C ATOM 415 O THR A 29 3.695 -10.308 -5.084 1.00 0.33 O ATOM 416 CB THR A 29 6.645 -9.434 -5.792 1.00 0.32 C ATOM 417 OG1 THR A 29 6.354 -8.059 -5.509 1.00 0.96 O ATOM 418 CG2 THR A 29 6.081 -9.807 -7.154 1.00 0.92 C ATOM 0 H THR A 29 6.160 -11.900 -6.084 1.00 0.30 H new ATOM 0 HA THR A 29 6.674 -10.230 -3.796 1.00 0.28 H new ATOM 0 HB THR A 29 7.725 -9.578 -5.811 1.00 0.32 H new ATOM 0 HG1 THR A 29 6.293 -7.930 -4.539 1.00 0.96 H new ATOM 0 HG21 THR A 29 6.508 -9.155 -7.916 1.00 0.92 H new ATOM 0 HG22 THR A 29 6.332 -10.843 -7.381 1.00 0.92 H new ATOM 0 HG23 THR A 29 4.997 -9.691 -7.143 1.00 0.92 H new ATOM 426 N VAL A 30 4.462 -9.112 -3.339 1.00 0.33 N ATOM 427 CA VAL A 30 3.137 -8.662 -2.934 1.00 0.39 C ATOM 428 C VAL A 30 2.700 -7.388 -3.650 1.00 0.35 C ATOM 429 O VAL A 30 3.319 -6.332 -3.513 1.00 0.35 O ATOM 430 CB VAL A 30 3.067 -8.430 -1.412 1.00 0.47 C ATOM 431 CG1 VAL A 30 1.618 -8.374 -0.949 1.00 0.56 C ATOM 432 CG2 VAL A 30 3.827 -9.518 -0.671 1.00 0.57 C ATOM 0 H VAL A 30 5.224 -8.769 -2.754 1.00 0.33 H new ATOM 0 HA VAL A 30 2.454 -9.462 -3.218 1.00 0.39 H new ATOM 0 HB VAL A 30 3.536 -7.472 -1.186 1.00 0.47 H new ATOM 0 HG11 VAL A 30 1.586 -8.210 0.128 1.00 0.56 H new ATOM 0 HG12 VAL A 30 1.105 -7.557 -1.456 1.00 0.56 H new ATOM 0 HG13 VAL A 30 1.123 -9.316 -1.187 1.00 0.56 H new ATOM 0 HG21 VAL A 30 3.767 -9.338 0.402 1.00 0.57 H new ATOM 0 HG22 VAL A 30 3.389 -10.489 -0.901 1.00 0.57 H new ATOM 0 HG23 VAL A 30 4.872 -9.509 -0.982 1.00 0.57 H new ATOM 442 N LYS A 31 1.609 -7.507 -4.396 1.00 0.34 N ATOM 443 CA LYS A 31 1.044 -6.379 -5.129 1.00 0.33 C ATOM 444 C LYS A 31 0.155 -5.551 -4.204 1.00 0.33 C ATOM 445 O LYS A 31 -0.805 -6.067 -3.634 1.00 0.38 O ATOM 446 CB LYS A 31 0.237 -6.879 -6.334 1.00 0.38 C ATOM 447 CG LYS A 31 -0.619 -5.807 -6.993 1.00 0.60 C ATOM 448 CD LYS A 31 -2.094 -6.185 -6.989 1.00 0.82 C ATOM 449 CE LYS A 31 -2.613 -6.394 -5.576 1.00 1.34 C ATOM 450 NZ LYS A 31 -4.077 -6.665 -5.556 1.00 1.98 N ATOM 0 H LYS A 31 1.094 -8.380 -4.510 1.00 0.34 H new ATOM 0 HA LYS A 31 1.857 -5.751 -5.493 1.00 0.33 H new ATOM 0 HB2 LYS A 31 0.925 -7.287 -7.075 1.00 0.38 H new ATOM 0 HB3 LYS A 31 -0.407 -7.697 -6.013 1.00 0.38 H new ATOM 0 HG2 LYS A 31 -0.484 -4.860 -6.470 1.00 0.60 H new ATOM 0 HG3 LYS A 31 -0.285 -5.654 -8.019 1.00 0.60 H new ATOM 0 HD2 LYS A 31 -2.673 -5.401 -7.478 1.00 0.82 H new ATOM 0 HD3 LYS A 31 -2.238 -7.096 -7.569 1.00 0.82 H new ATOM 0 HE2 LYS A 31 -2.083 -7.227 -5.114 1.00 1.34 H new ATOM 0 HE3 LYS A 31 -2.399 -5.509 -4.976 1.00 1.34 H new ATOM 0 HZ1 LYS A 31 -4.404 -6.734 -4.571 1.00 1.98 H new ATOM 0 HZ2 LYS A 31 -4.580 -5.890 -6.034 1.00 1.98 H new ATOM 0 HZ3 LYS A 31 -4.271 -7.560 -6.049 1.00 1.98 H new ATOM 464 N PHE A 32 0.479 -4.269 -4.048 1.00 0.31 N ATOM 465 CA PHE A 32 -0.307 -3.400 -3.179 1.00 0.35 C ATOM 466 C PHE A 32 -0.938 -2.253 -3.962 1.00 0.32 C ATOM 467 O PHE A 32 -0.245 -1.439 -4.570 1.00 0.32 O ATOM 468 CB PHE A 32 0.576 -2.837 -2.061 1.00 0.44 C ATOM 469 CG PHE A 32 -0.163 -2.506 -0.789 1.00 0.90 C ATOM 470 CD1 PHE A 32 -1.549 -2.420 -0.763 1.00 1.64 C ATOM 471 CD2 PHE A 32 0.537 -2.281 0.385 1.00 1.21 C ATOM 472 CE1 PHE A 32 -2.217 -2.116 0.408 1.00 2.28 C ATOM 473 CE2 PHE A 32 -0.126 -1.977 1.558 1.00 1.91 C ATOM 474 CZ PHE A 32 -1.505 -1.894 1.569 1.00 2.35 C ATOM 0 H PHE A 32 1.269 -3.815 -4.506 1.00 0.31 H new ATOM 0 HA PHE A 32 -1.108 -3.998 -2.746 1.00 0.35 H new ATOM 0 HB2 PHE A 32 1.359 -3.561 -1.834 1.00 0.44 H new ATOM 0 HB3 PHE A 32 1.070 -1.936 -2.424 1.00 0.44 H new ATOM 0 HD1 PHE A 32 -2.111 -2.593 -1.669 1.00 1.64 H new ATOM 0 HD2 PHE A 32 1.615 -2.344 0.383 1.00 1.21 H new ATOM 0 HE1 PHE A 32 -3.295 -2.052 0.414 1.00 2.28 H new ATOM 0 HE2 PHE A 32 0.433 -1.804 2.466 1.00 1.91 H new ATOM 0 HZ PHE A 32 -2.025 -1.656 2.485 1.00 2.35 H new ATOM 484 N ARG A 33 -2.263 -2.217 -3.957 1.00 0.36 N ATOM 485 CA ARG A 33 -3.005 -1.190 -4.680 1.00 0.39 C ATOM 486 C ARG A 33 -3.745 -0.251 -3.733 1.00 0.40 C ATOM 487 O ARG A 33 -4.450 -0.691 -2.825 1.00 0.43 O ATOM 488 CB ARG A 33 -4.004 -1.836 -5.632 1.00 0.47 C ATOM 489 CG ARG A 33 -3.491 -3.113 -6.281 1.00 0.80 C ATOM 490 CD ARG A 33 -2.353 -2.813 -7.245 1.00 0.53 C ATOM 491 NE ARG A 33 -2.836 -2.392 -8.556 1.00 1.09 N ATOM 492 CZ ARG A 33 -2.088 -2.408 -9.656 1.00 1.56 C ATOM 493 NH1 ARG A 33 -0.833 -2.832 -9.599 1.00 2.10 N ATOM 494 NH2 ARG A 33 -2.594 -2.001 -10.811 1.00 2.12 N ATOM 0 H ARG A 33 -2.849 -2.888 -3.460 1.00 0.36 H new ATOM 0 HA ARG A 33 -2.280 -0.603 -5.244 1.00 0.39 H new ATOM 0 HB2 ARG A 33 -4.921 -2.059 -5.086 1.00 0.47 H new ATOM 0 HB3 ARG A 33 -4.264 -1.121 -6.413 1.00 0.47 H new ATOM 0 HG2 ARG A 33 -3.148 -3.804 -5.511 1.00 0.80 H new ATOM 0 HG3 ARG A 33 -4.304 -3.607 -6.814 1.00 0.80 H new ATOM 0 HD2 ARG A 33 -1.720 -2.031 -6.825 1.00 0.53 H new ATOM 0 HD3 ARG A 33 -1.731 -3.701 -7.357 1.00 0.53 H new ATOM 0 HE ARG A 33 -3.800 -2.068 -8.633 1.00 1.09 H new ATOM 0 HH11 ARG A 33 -0.441 -3.146 -8.711 1.00 2.10 H new ATOM 0 HH12 ARG A 33 -0.260 -2.844 -10.443 1.00 2.10 H new ATOM 0 HH21 ARG A 33 -3.559 -1.674 -10.858 1.00 2.12 H new ATOM 0 HH22 ARG A 33 -2.018 -2.014 -11.653 1.00 2.12 H new ATOM 508 N CYS A 34 -3.590 1.048 -3.970 1.00 0.39 N ATOM 509 CA CYS A 34 -4.252 2.068 -3.163 1.00 0.41 C ATOM 510 C CYS A 34 -4.467 3.332 -3.990 1.00 0.41 C ATOM 511 O CYS A 34 -3.860 4.370 -3.723 1.00 0.47 O ATOM 512 CB CYS A 34 -3.433 2.401 -1.909 1.00 0.44 C ATOM 513 SG CYS A 34 -2.583 0.977 -1.150 1.00 0.94 S ATOM 0 H CYS A 34 -3.008 1.421 -4.720 1.00 0.39 H new ATOM 0 HA CYS A 34 -5.217 1.673 -2.846 1.00 0.41 H new ATOM 0 HB2 CYS A 34 -2.689 3.155 -2.168 1.00 0.44 H new ATOM 0 HB3 CYS A 34 -4.095 2.848 -1.168 1.00 0.44 H new ATOM 518 N PRO A 35 -5.332 3.258 -5.017 1.00 0.41 N ATOM 519 CA PRO A 35 -5.620 4.397 -5.889 1.00 0.44 C ATOM 520 C PRO A 35 -6.543 5.417 -5.233 1.00 0.34 C ATOM 521 O PRO A 35 -7.714 5.135 -4.975 1.00 0.34 O ATOM 522 CB PRO A 35 -6.299 3.751 -7.094 1.00 0.57 C ATOM 523 CG PRO A 35 -6.953 2.527 -6.552 1.00 0.54 C ATOM 524 CD PRO A 35 -6.095 2.054 -5.407 1.00 0.44 C ATOM 0 HA PRO A 35 -4.720 4.958 -6.139 1.00 0.44 H new ATOM 0 HB2 PRO A 35 -7.029 4.423 -7.544 1.00 0.57 H new ATOM 0 HB3 PRO A 35 -5.575 3.502 -7.870 1.00 0.57 H new ATOM 0 HG2 PRO A 35 -7.966 2.746 -6.213 1.00 0.54 H new ATOM 0 HG3 PRO A 35 -7.033 1.758 -7.320 1.00 0.54 H new ATOM 0 HD2 PRO A 35 -6.700 1.679 -4.582 1.00 0.44 H new ATOM 0 HD3 PRO A 35 -5.434 1.243 -5.711 1.00 0.44 H new ATOM 532 N ALA A 36 -6.008 6.605 -4.968 1.00 0.35 N ATOM 533 CA ALA A 36 -6.779 7.670 -4.341 1.00 0.33 C ATOM 534 C ALA A 36 -6.496 9.015 -5.003 1.00 0.32 C ATOM 535 O ALA A 36 -5.462 9.633 -4.755 1.00 0.38 O ATOM 536 CB ALA A 36 -6.474 7.738 -2.853 1.00 0.40 C ATOM 0 H ALA A 36 -5.041 6.853 -5.179 1.00 0.35 H new ATOM 0 HA ALA A 36 -7.837 7.444 -4.473 1.00 0.33 H new ATOM 0 HB1 ALA A 36 -7.058 8.538 -2.398 1.00 0.40 H new ATOM 0 HB2 ALA A 36 -6.734 6.789 -2.385 1.00 0.40 H new ATOM 0 HB3 ALA A 36 -5.412 7.936 -2.708 1.00 0.40 H new ATOM 542 N GLY A 37 -7.423 9.464 -5.843 1.00 0.33 N ATOM 543 CA GLY A 37 -7.253 10.732 -6.524 1.00 0.36 C ATOM 544 C GLY A 37 -7.338 11.911 -5.576 1.00 0.35 C ATOM 545 O GLY A 37 -8.130 11.901 -4.633 1.00 0.37 O ATOM 0 H GLY A 37 -8.289 8.972 -6.064 1.00 0.33 H new ATOM 0 HA2 GLY A 37 -6.287 10.744 -7.029 1.00 0.36 H new ATOM 0 HA3 GLY A 37 -8.017 10.833 -7.295 1.00 0.36 H new ATOM 549 N GLY A 38 -6.520 12.931 -5.820 1.00 0.36 N ATOM 550 CA GLY A 38 -6.527 14.103 -4.966 1.00 0.39 C ATOM 551 C GLY A 38 -5.364 15.032 -5.240 1.00 0.37 C ATOM 552 O GLY A 38 -5.131 15.426 -6.383 1.00 0.42 O ATOM 0 H GLY A 38 -5.854 12.966 -6.592 1.00 0.36 H new ATOM 0 HA2 GLY A 38 -7.462 14.646 -5.108 1.00 0.39 H new ATOM 0 HA3 GLY A 38 -6.497 13.788 -3.923 1.00 0.39 H new ATOM 556 N ASN A 39 -4.638 15.397 -4.185 1.00 0.40 N ATOM 557 CA ASN A 39 -3.505 16.302 -4.328 1.00 0.47 C ATOM 558 C ASN A 39 -2.340 15.649 -5.079 1.00 0.36 C ATOM 559 O ASN A 39 -2.309 14.433 -5.266 1.00 0.34 O ATOM 560 CB ASN A 39 -3.038 16.775 -2.944 1.00 0.70 C ATOM 561 CG ASN A 39 -2.055 15.825 -2.269 1.00 2.04 C ATOM 562 OD1 ASN A 39 -0.907 16.186 -2.016 1.00 2.41 O ATOM 563 ND2 ASN A 39 -2.505 14.612 -1.970 1.00 2.89 N ATOM 0 H ASN A 39 -4.814 15.082 -3.231 1.00 0.40 H new ATOM 0 HA ASN A 39 -3.837 17.157 -4.917 1.00 0.47 H new ATOM 0 HB2 ASN A 39 -2.572 17.755 -3.043 1.00 0.70 H new ATOM 0 HB3 ASN A 39 -3.909 16.900 -2.300 1.00 0.70 H new ATOM 0 HD21 ASN A 39 -1.891 13.939 -1.512 1.00 2.89 H new ATOM 0 HD22 ASN A 39 -3.465 14.354 -2.198 1.00 2.89 H new ATOM 570 N PRO A 40 -1.354 16.462 -5.498 1.00 0.39 N ATOM 571 CA PRO A 40 -0.173 15.985 -6.202 1.00 0.39 C ATOM 572 C PRO A 40 0.948 15.581 -5.240 1.00 0.34 C ATOM 573 O PRO A 40 1.985 15.069 -5.663 1.00 0.40 O ATOM 574 CB PRO A 40 0.236 17.205 -7.019 1.00 0.51 C ATOM 575 CG PRO A 40 -0.155 18.375 -6.173 1.00 0.52 C ATOM 576 CD PRO A 40 -1.304 17.925 -5.297 1.00 0.53 C ATOM 0 HA PRO A 40 -0.368 15.093 -6.797 1.00 0.39 H new ATOM 0 HB2 PRO A 40 1.307 17.204 -7.224 1.00 0.51 H new ATOM 0 HB3 PRO A 40 -0.273 17.225 -7.983 1.00 0.51 H new ATOM 0 HG2 PRO A 40 0.686 18.709 -5.565 1.00 0.52 H new ATOM 0 HG3 PRO A 40 -0.453 19.219 -6.796 1.00 0.52 H new ATOM 0 HD2 PRO A 40 -1.132 18.179 -4.251 1.00 0.53 H new ATOM 0 HD3 PRO A 40 -2.240 18.401 -5.590 1.00 0.53 H new ATOM 584 N MET A 41 0.733 15.815 -3.942 1.00 0.31 N ATOM 585 CA MET A 41 1.721 15.476 -2.921 1.00 0.33 C ATOM 586 C MET A 41 1.140 14.482 -1.912 1.00 0.32 C ATOM 587 O MET A 41 0.801 14.856 -0.790 1.00 0.36 O ATOM 588 CB MET A 41 2.170 16.746 -2.189 1.00 0.39 C ATOM 589 CG MET A 41 3.375 16.532 -1.287 1.00 0.47 C ATOM 590 SD MET A 41 4.918 16.390 -2.210 1.00 1.30 S ATOM 591 CE MET A 41 5.190 18.096 -2.681 1.00 1.83 C ATOM 0 H MET A 41 -0.119 16.239 -3.576 1.00 0.31 H new ATOM 0 HA MET A 41 2.578 15.014 -3.412 1.00 0.33 H new ATOM 0 HB2 MET A 41 2.408 17.515 -2.924 1.00 0.39 H new ATOM 0 HB3 MET A 41 1.341 17.123 -1.591 1.00 0.39 H new ATOM 0 HG2 MET A 41 3.451 17.363 -0.586 1.00 0.47 H new ATOM 0 HG3 MET A 41 3.225 15.629 -0.696 1.00 0.47 H new ATOM 0 HE1 MET A 41 6.219 18.220 -3.020 1.00 1.83 H new ATOM 0 HE2 MET A 41 4.508 18.364 -3.488 1.00 1.83 H new ATOM 0 HE3 MET A 41 5.010 18.744 -1.823 1.00 1.83 H new ATOM 601 N PRO A 42 1.000 13.204 -2.303 1.00 0.32 N ATOM 602 CA PRO A 42 0.446 12.169 -1.443 1.00 0.34 C ATOM 603 C PRO A 42 1.509 11.365 -0.701 1.00 0.35 C ATOM 604 O PRO A 42 2.393 10.767 -1.316 1.00 0.43 O ATOM 605 CB PRO A 42 -0.273 11.285 -2.455 1.00 0.40 C ATOM 606 CG PRO A 42 0.575 11.357 -3.688 1.00 0.42 C ATOM 607 CD PRO A 42 1.347 12.659 -3.625 1.00 0.36 C ATOM 0 HA PRO A 42 -0.179 12.578 -0.649 1.00 0.34 H new ATOM 0 HB2 PRO A 42 -0.362 10.260 -2.094 1.00 0.40 H new ATOM 0 HB3 PRO A 42 -1.284 11.644 -2.647 1.00 0.40 H new ATOM 0 HG2 PRO A 42 1.256 10.508 -3.736 1.00 0.42 H new ATOM 0 HG3 PRO A 42 -0.045 11.320 -4.584 1.00 0.42 H new ATOM 0 HD2 PRO A 42 2.420 12.494 -3.721 1.00 0.36 H new ATOM 0 HD3 PRO A 42 1.056 13.337 -4.427 1.00 0.36 H new ATOM 615 N THR A 43 1.402 11.333 0.624 1.00 0.32 N ATOM 616 CA THR A 43 2.336 10.579 1.454 1.00 0.35 C ATOM 617 C THR A 43 1.660 9.313 1.968 1.00 0.37 C ATOM 618 O THR A 43 0.529 9.361 2.444 1.00 0.48 O ATOM 619 CB THR A 43 2.826 11.412 2.654 1.00 0.41 C ATOM 620 OG1 THR A 43 2.810 12.806 2.322 1.00 0.94 O ATOM 621 CG2 THR A 43 4.233 11.001 3.060 1.00 1.00 C ATOM 0 H THR A 43 0.676 11.822 1.147 1.00 0.32 H new ATOM 0 HA THR A 43 3.198 10.324 0.838 1.00 0.35 H new ATOM 0 HB THR A 43 2.154 11.229 3.493 1.00 0.41 H new ATOM 0 HG1 THR A 43 3.121 13.329 3.090 1.00 0.94 H new ATOM 0 HG21 THR A 43 4.557 11.603 3.909 1.00 1.00 H new ATOM 0 HG22 THR A 43 4.238 9.947 3.339 1.00 1.00 H new ATOM 0 HG23 THR A 43 4.914 11.158 2.223 1.00 1.00 H new ATOM 629 N MET A 44 2.337 8.173 1.850 1.00 0.35 N ATOM 630 CA MET A 44 1.757 6.910 2.290 1.00 0.41 C ATOM 631 C MET A 44 2.717 6.093 3.148 1.00 0.38 C ATOM 632 O MET A 44 3.925 6.073 2.914 1.00 0.40 O ATOM 633 CB MET A 44 1.323 6.086 1.077 1.00 0.49 C ATOM 634 CG MET A 44 2.244 6.231 -0.124 1.00 0.86 C ATOM 635 SD MET A 44 3.848 5.446 0.129 1.00 1.82 S ATOM 636 CE MET A 44 4.893 6.464 -0.912 1.00 2.30 C ATOM 0 H MET A 44 3.276 8.099 1.458 1.00 0.35 H new ATOM 0 HA MET A 44 0.893 7.152 2.909 1.00 0.41 H new ATOM 0 HB2 MET A 44 1.275 5.035 1.362 1.00 0.49 H new ATOM 0 HB3 MET A 44 0.315 6.384 0.788 1.00 0.49 H new ATOM 0 HG2 MET A 44 1.764 5.793 -0.999 1.00 0.86 H new ATOM 0 HG3 MET A 44 2.392 7.290 -0.337 1.00 0.86 H new ATOM 0 HE1 MET A 44 5.920 6.102 -0.861 1.00 2.30 H new ATOM 0 HE2 MET A 44 4.541 6.413 -1.942 1.00 2.30 H new ATOM 0 HE3 MET A 44 4.855 7.497 -0.567 1.00 2.30 H new ATOM 646 N ARG A 45 2.152 5.403 4.135 1.00 0.36 N ATOM 647 CA ARG A 45 2.920 4.553 5.036 1.00 0.34 C ATOM 648 C ARG A 45 2.587 3.088 4.768 1.00 0.32 C ATOM 649 O ARG A 45 1.471 2.768 4.352 1.00 0.34 O ATOM 650 CB ARG A 45 2.617 4.911 6.493 1.00 0.37 C ATOM 651 CG ARG A 45 2.507 6.408 6.737 1.00 0.66 C ATOM 652 CD ARG A 45 2.045 6.716 8.153 1.00 0.88 C ATOM 653 NE ARG A 45 3.168 6.864 9.076 1.00 1.57 N ATOM 654 CZ ARG A 45 3.756 5.846 9.698 1.00 2.04 C ATOM 655 NH1 ARG A 45 3.335 4.604 9.501 1.00 2.22 N ATOM 656 NH2 ARG A 45 4.771 6.071 10.521 1.00 2.89 N ATOM 0 H ARG A 45 1.151 5.418 4.331 1.00 0.36 H new ATOM 0 HA ARG A 45 3.983 4.714 4.858 1.00 0.34 H new ATOM 0 HB2 ARG A 45 1.684 4.432 6.790 1.00 0.37 H new ATOM 0 HB3 ARG A 45 3.402 4.503 7.130 1.00 0.37 H new ATOM 0 HG2 ARG A 45 3.475 6.877 6.560 1.00 0.66 H new ATOM 0 HG3 ARG A 45 1.807 6.842 6.023 1.00 0.66 H new ATOM 0 HD2 ARG A 45 1.455 7.632 8.150 1.00 0.88 H new ATOM 0 HD3 ARG A 45 1.391 5.917 8.503 1.00 0.88 H new ATOM 0 HE ARG A 45 3.522 7.804 9.254 1.00 1.57 H new ATOM 0 HH11 ARG A 45 2.555 4.424 8.869 1.00 2.22 H new ATOM 0 HH12 ARG A 45 3.791 3.829 9.982 1.00 2.22 H new ATOM 0 HH21 ARG A 45 5.100 7.024 10.676 1.00 2.89 H new ATOM 0 HH22 ARG A 45 5.223 5.291 10.999 1.00 2.89 H new ATOM 670 N TRP A 46 3.553 2.203 4.992 1.00 0.31 N ATOM 671 CA TRP A 46 3.339 0.777 4.749 1.00 0.31 C ATOM 672 C TRP A 46 3.335 -0.019 6.053 1.00 0.26 C ATOM 673 O TRP A 46 4.330 -0.047 6.784 1.00 0.29 O ATOM 674 CB TRP A 46 4.408 0.202 3.801 1.00 0.39 C ATOM 675 CG TRP A 46 5.297 1.230 3.158 1.00 0.70 C ATOM 676 CD1 TRP A 46 6.226 2.012 3.777 1.00 1.52 C ATOM 677 CD2 TRP A 46 5.338 1.578 1.769 1.00 1.34 C ATOM 678 NE1 TRP A 46 6.842 2.828 2.861 1.00 1.62 N ATOM 679 CE2 TRP A 46 6.315 2.581 1.622 1.00 1.46 C ATOM 680 CE3 TRP A 46 4.646 1.141 0.637 1.00 2.43 C ATOM 681 CZ2 TRP A 46 6.615 3.152 0.388 1.00 2.14 C ATOM 682 CZ3 TRP A 46 4.944 1.708 -0.587 1.00 3.28 C ATOM 683 CH2 TRP A 46 5.922 2.704 -0.704 1.00 3.02 C ATOM 0 H TRP A 46 4.482 2.442 5.338 1.00 0.31 H new ATOM 0 HA TRP A 46 2.361 0.683 4.277 1.00 0.31 H new ATOM 0 HB2 TRP A 46 5.030 -0.498 4.359 1.00 0.39 H new ATOM 0 HB3 TRP A 46 3.910 -0.369 3.017 1.00 0.39 H new ATOM 0 HD1 TRP A 46 6.446 1.992 4.834 1.00 1.52 H new ATOM 0 HE1 TRP A 46 7.573 3.508 3.070 1.00 1.62 H new ATOM 0 HE3 TRP A 46 3.891 0.373 0.717 1.00 2.43 H new ATOM 0 HZ2 TRP A 46 7.368 3.921 0.296 1.00 2.14 H new ATOM 0 HZ3 TRP A 46 4.414 1.378 -1.468 1.00 3.28 H new ATOM 0 HH2 TRP A 46 6.133 3.127 -1.675 1.00 3.02 H new ATOM 694 N LEU A 47 2.208 -0.680 6.320 1.00 0.25 N ATOM 695 CA LEU A 47 2.056 -1.493 7.521 1.00 0.26 C ATOM 696 C LEU A 47 1.511 -2.876 7.171 1.00 0.24 C ATOM 697 O LEU A 47 0.491 -2.999 6.493 1.00 0.31 O ATOM 698 CB LEU A 47 1.123 -0.800 8.518 1.00 0.37 C ATOM 699 CG LEU A 47 1.827 -0.018 9.627 1.00 0.80 C ATOM 700 CD1 LEU A 47 1.927 1.457 9.261 1.00 1.58 C ATOM 701 CD2 LEU A 47 1.092 -0.194 10.948 1.00 1.53 C ATOM 0 H LEU A 47 1.386 -0.666 5.716 1.00 0.25 H new ATOM 0 HA LEU A 47 3.038 -1.612 7.979 1.00 0.26 H new ATOM 0 HB2 LEU A 47 0.473 -0.118 7.970 1.00 0.37 H new ATOM 0 HB3 LEU A 47 0.482 -1.553 8.976 1.00 0.37 H new ATOM 0 HG LEU A 47 2.837 -0.411 9.740 1.00 0.80 H new ATOM 0 HD11 LEU A 47 2.431 1.997 10.062 1.00 1.58 H new ATOM 0 HD12 LEU A 47 2.495 1.565 8.337 1.00 1.58 H new ATOM 0 HD13 LEU A 47 0.926 1.866 9.121 1.00 1.58 H new ATOM 0 HD21 LEU A 47 1.605 0.369 11.728 1.00 1.53 H new ATOM 0 HD22 LEU A 47 0.071 0.173 10.848 1.00 1.53 H new ATOM 0 HD23 LEU A 47 1.073 -1.250 11.216 1.00 1.53 H new ATOM 713 N LYS A 48 2.201 -3.915 7.629 1.00 0.22 N ATOM 714 CA LYS A 48 1.794 -5.287 7.359 1.00 0.25 C ATOM 715 C LYS A 48 1.667 -6.098 8.647 1.00 0.26 C ATOM 716 O LYS A 48 2.664 -6.397 9.304 1.00 0.31 O ATOM 717 CB LYS A 48 2.799 -5.956 6.423 1.00 0.34 C ATOM 718 CG LYS A 48 4.237 -5.531 6.677 1.00 0.41 C ATOM 719 CD LYS A 48 5.227 -6.530 6.096 1.00 0.88 C ATOM 720 CE LYS A 48 4.987 -6.762 4.613 1.00 0.73 C ATOM 721 NZ LYS A 48 4.993 -8.211 4.270 1.00 1.37 N ATOM 0 H LYS A 48 3.048 -3.831 8.191 1.00 0.22 H new ATOM 0 HA LYS A 48 0.814 -5.256 6.882 1.00 0.25 H new ATOM 0 HB2 LYS A 48 2.723 -7.038 6.533 1.00 0.34 H new ATOM 0 HB3 LYS A 48 2.535 -5.722 5.392 1.00 0.34 H new ATOM 0 HG2 LYS A 48 4.410 -4.549 6.237 1.00 0.41 H new ATOM 0 HG3 LYS A 48 4.404 -5.434 7.750 1.00 0.41 H new ATOM 0 HD2 LYS A 48 6.243 -6.166 6.248 1.00 0.88 H new ATOM 0 HD3 LYS A 48 5.145 -7.476 6.630 1.00 0.88 H new ATOM 0 HE2 LYS A 48 4.030 -6.325 4.327 1.00 0.73 H new ATOM 0 HE3 LYS A 48 5.756 -6.249 4.036 1.00 0.73 H new ATOM 0 HZ1 LYS A 48 5.516 -8.356 3.383 1.00 1.37 H new ATOM 0 HZ2 LYS A 48 5.453 -8.747 5.034 1.00 1.37 H new ATOM 0 HZ3 LYS A 48 4.015 -8.544 4.154 1.00 1.37 H new ATOM 735 N ASN A 49 0.436 -6.463 8.994 1.00 0.28 N ATOM 736 CA ASN A 49 0.177 -7.253 10.196 1.00 0.35 C ATOM 737 C ASN A 49 0.798 -6.611 11.432 1.00 0.39 C ATOM 738 O ASN A 49 1.315 -7.303 12.308 1.00 0.50 O ATOM 739 CB ASN A 49 0.724 -8.672 10.017 1.00 0.38 C ATOM 740 CG ASN A 49 0.142 -9.648 11.019 1.00 0.75 C ATOM 741 OD1 ASN A 49 -1.074 -9.830 11.093 1.00 1.53 O ATOM 742 ND2 ASN A 49 1.010 -10.284 11.798 1.00 1.32 N ATOM 0 H ASN A 49 -0.399 -6.224 8.460 1.00 0.28 H new ATOM 0 HA ASN A 49 -0.902 -7.293 10.344 1.00 0.35 H new ATOM 0 HB2 ASN A 49 0.504 -9.018 9.007 1.00 0.38 H new ATOM 0 HB3 ASN A 49 1.809 -8.655 10.119 1.00 0.38 H new ATOM 0 HD21 ASN A 49 0.677 -10.954 12.492 1.00 1.32 H new ATOM 0 HD22 ASN A 49 2.009 -10.103 11.703 1.00 1.32 H new ATOM 749 N GLY A 50 0.747 -5.285 11.498 1.00 0.38 N ATOM 750 CA GLY A 50 1.310 -4.579 12.635 1.00 0.45 C ATOM 751 C GLY A 50 2.796 -4.306 12.478 1.00 0.48 C ATOM 752 O GLY A 50 3.452 -3.864 13.421 1.00 0.68 O ATOM 0 H GLY A 50 0.327 -4.687 10.786 1.00 0.38 H new ATOM 0 HA2 GLY A 50 0.783 -3.634 12.768 1.00 0.45 H new ATOM 0 HA3 GLY A 50 1.146 -5.165 13.539 1.00 0.45 H new ATOM 756 N LYS A 51 3.325 -4.568 11.287 1.00 0.36 N ATOM 757 CA LYS A 51 4.738 -4.344 11.011 1.00 0.39 C ATOM 758 C LYS A 51 4.906 -3.229 9.986 1.00 0.38 C ATOM 759 O LYS A 51 4.139 -3.134 9.036 1.00 0.39 O ATOM 760 CB LYS A 51 5.382 -5.635 10.498 1.00 0.42 C ATOM 761 CG LYS A 51 6.863 -5.502 10.189 1.00 0.53 C ATOM 762 CD LYS A 51 7.094 -5.074 8.749 1.00 0.75 C ATOM 763 CE LYS A 51 8.541 -5.281 8.331 1.00 0.82 C ATOM 764 NZ LYS A 51 9.485 -4.528 9.204 1.00 1.36 N ATOM 0 H LYS A 51 2.795 -4.936 10.497 1.00 0.36 H new ATOM 0 HA LYS A 51 5.233 -4.045 11.935 1.00 0.39 H new ATOM 0 HB2 LYS A 51 5.245 -6.419 11.243 1.00 0.42 H new ATOM 0 HB3 LYS A 51 4.860 -5.957 9.597 1.00 0.42 H new ATOM 0 HG2 LYS A 51 7.313 -4.773 10.863 1.00 0.53 H new ATOM 0 HG3 LYS A 51 7.361 -6.454 10.371 1.00 0.53 H new ATOM 0 HD2 LYS A 51 6.439 -5.643 8.090 1.00 0.75 H new ATOM 0 HD3 LYS A 51 6.828 -4.023 8.633 1.00 0.75 H new ATOM 0 HE2 LYS A 51 8.781 -6.344 8.368 1.00 0.82 H new ATOM 0 HE3 LYS A 51 8.669 -4.961 7.297 1.00 0.82 H new ATOM 0 HZ1 LYS A 51 10.394 -4.410 8.712 1.00 1.36 H new ATOM 0 HZ2 LYS A 51 9.086 -3.593 9.422 1.00 1.36 H new ATOM 0 HZ3 LYS A 51 9.635 -5.055 10.088 1.00 1.36 H new ATOM 778 N GLU A 52 5.916 -2.392 10.172 1.00 0.38 N ATOM 779 CA GLU A 52 6.167 -1.299 9.239 1.00 0.39 C ATOM 780 C GLU A 52 7.439 -1.553 8.443 1.00 0.43 C ATOM 781 O GLU A 52 8.410 -2.098 8.969 1.00 0.49 O ATOM 782 CB GLU A 52 6.268 0.034 9.983 1.00 0.44 C ATOM 783 CG GLU A 52 7.244 0.010 11.149 1.00 1.03 C ATOM 784 CD GLU A 52 8.165 1.214 11.162 1.00 1.38 C ATOM 785 OE1 GLU A 52 7.825 2.229 10.520 1.00 1.71 O ATOM 786 OE2 GLU A 52 9.230 1.140 11.815 1.00 1.90 O ATOM 0 H GLU A 52 6.571 -2.446 10.952 1.00 0.38 H new ATOM 0 HA GLU A 52 5.328 -1.247 8.546 1.00 0.39 H new ATOM 0 HB2 GLU A 52 6.573 0.810 9.281 1.00 0.44 H new ATOM 0 HB3 GLU A 52 5.280 0.310 10.353 1.00 0.44 H new ATOM 0 HG2 GLU A 52 6.686 -0.026 12.085 1.00 1.03 H new ATOM 0 HG3 GLU A 52 7.842 -0.900 11.099 1.00 1.03 H new ATOM 793 N PHE A 53 7.442 -1.143 7.179 1.00 0.43 N ATOM 794 CA PHE A 53 8.621 -1.322 6.338 1.00 0.50 C ATOM 795 C PHE A 53 8.889 -0.078 5.503 1.00 0.56 C ATOM 796 O PHE A 53 8.086 0.296 4.646 1.00 0.70 O ATOM 797 CB PHE A 53 8.474 -2.551 5.438 1.00 0.57 C ATOM 798 CG PHE A 53 7.271 -2.520 4.540 1.00 1.46 C ATOM 799 CD1 PHE A 53 7.342 -1.951 3.278 1.00 1.99 C ATOM 800 CD2 PHE A 53 6.072 -3.073 4.954 1.00 2.42 C ATOM 801 CE1 PHE A 53 6.239 -1.933 2.448 1.00 3.14 C ATOM 802 CE2 PHE A 53 4.965 -3.060 4.128 1.00 3.55 C ATOM 803 CZ PHE A 53 5.047 -2.489 2.873 1.00 3.85 C ATOM 0 H PHE A 53 6.653 -0.690 6.718 1.00 0.43 H new ATOM 0 HA PHE A 53 9.475 -1.483 6.996 1.00 0.50 H new ATOM 0 HB2 PHE A 53 9.369 -2.646 4.823 1.00 0.57 H new ATOM 0 HB3 PHE A 53 8.422 -3.441 6.065 1.00 0.57 H new ATOM 0 HD1 PHE A 53 8.271 -1.517 2.940 1.00 1.99 H new ATOM 0 HD2 PHE A 53 6.001 -3.520 5.935 1.00 2.42 H new ATOM 0 HE1 PHE A 53 6.307 -1.485 1.468 1.00 3.14 H new ATOM 0 HE2 PHE A 53 4.036 -3.496 4.463 1.00 3.55 H new ATOM 0 HZ PHE A 53 4.182 -2.477 2.226 1.00 3.85 H new ATOM 813 N LYS A 54 10.028 0.561 5.759 1.00 0.64 N ATOM 814 CA LYS A 54 10.411 1.767 5.037 1.00 0.77 C ATOM 815 C LYS A 54 10.933 1.427 3.646 1.00 1.29 C ATOM 816 O LYS A 54 11.477 0.344 3.422 1.00 1.12 O ATOM 817 CB LYS A 54 11.477 2.535 5.822 1.00 0.86 C ATOM 818 CG LYS A 54 11.150 2.691 7.299 1.00 1.43 C ATOM 819 CD LYS A 54 10.639 4.088 7.613 1.00 1.82 C ATOM 820 CE LYS A 54 10.605 4.346 9.110 1.00 2.44 C ATOM 821 NZ LYS A 54 9.386 5.097 9.517 1.00 3.19 N ATOM 0 H LYS A 54 10.702 0.261 6.463 1.00 0.64 H new ATOM 0 HA LYS A 54 9.526 2.393 4.928 1.00 0.77 H new ATOM 0 HB2 LYS A 54 12.432 2.019 5.722 1.00 0.86 H new ATOM 0 HB3 LYS A 54 11.601 3.523 5.379 1.00 0.86 H new ATOM 0 HG2 LYS A 54 10.399 1.955 7.586 1.00 1.43 H new ATOM 0 HG3 LYS A 54 12.040 2.486 7.893 1.00 1.43 H new ATOM 0 HD2 LYS A 54 11.278 4.827 7.130 1.00 1.82 H new ATOM 0 HD3 LYS A 54 9.638 4.212 7.199 1.00 1.82 H new ATOM 0 HE2 LYS A 54 10.641 3.396 9.643 1.00 2.44 H new ATOM 0 HE3 LYS A 54 11.492 4.908 9.402 1.00 2.44 H new ATOM 0 HZ1 LYS A 54 9.401 5.253 10.545 1.00 3.19 H new ATOM 0 HZ2 LYS A 54 9.364 6.015 9.028 1.00 3.19 H new ATOM 0 HZ3 LYS A 54 8.540 4.549 9.262 1.00 3.19 H new ATOM 885 N ARG A 58 13.882 -2.988 1.877 1.00 1.00 N ATOM 886 CA ARG A 58 12.817 -3.919 1.521 1.00 0.92 C ATOM 887 C ARG A 58 13.376 -5.314 1.274 1.00 0.69 C ATOM 888 O ARG A 58 14.501 -5.471 0.799 1.00 0.78 O ATOM 889 CB ARG A 58 12.063 -3.427 0.290 1.00 1.23 C ATOM 890 CG ARG A 58 10.633 -3.022 0.590 1.00 1.36 C ATOM 891 CD ARG A 58 9.640 -3.870 -0.185 1.00 1.75 C ATOM 892 NE ARG A 58 9.532 -5.220 0.360 1.00 2.44 N ATOM 893 CZ ARG A 58 8.788 -5.533 1.416 1.00 3.22 C ATOM 894 NH1 ARG A 58 8.084 -4.594 2.035 1.00 3.53 N ATOM 895 NH2 ARG A 58 8.747 -6.783 1.856 1.00 3.98 N ATOM 0 HA ARG A 58 12.121 -3.971 2.358 1.00 0.92 H new ATOM 0 HB2 ARG A 58 12.593 -2.576 -0.137 1.00 1.23 H new ATOM 0 HB3 ARG A 58 12.061 -4.213 -0.465 1.00 1.23 H new ATOM 0 HG2 ARG A 58 10.442 -3.122 1.659 1.00 1.36 H new ATOM 0 HG3 ARG A 58 10.491 -1.971 0.337 1.00 1.36 H new ATOM 0 HD2 ARG A 58 8.661 -3.391 -0.165 1.00 1.75 H new ATOM 0 HD3 ARG A 58 9.947 -3.924 -1.230 1.00 1.75 H new ATOM 0 HE ARG A 58 10.058 -5.966 -0.096 1.00 2.44 H new ATOM 0 HH11 ARG A 58 8.113 -3.631 1.701 1.00 3.53 H new ATOM 0 HH12 ARG A 58 7.513 -4.835 2.845 1.00 3.53 H new ATOM 0 HH21 ARG A 58 9.287 -7.508 1.384 1.00 3.98 H new ATOM 0 HH22 ARG A 58 8.175 -7.020 2.667 1.00 3.98 H new ATOM 909 N ILE A 59 12.575 -6.325 1.582 1.00 0.67 N ATOM 910 CA ILE A 59 12.991 -7.706 1.389 1.00 0.66 C ATOM 911 C ILE A 59 13.137 -8.028 -0.089 1.00 0.59 C ATOM 912 O ILE A 59 12.171 -8.383 -0.761 1.00 0.57 O ATOM 913 CB ILE A 59 11.995 -8.690 2.032 1.00 0.95 C ATOM 914 CG1 ILE A 59 11.643 -8.239 3.451 1.00 1.05 C ATOM 915 CG2 ILE A 59 12.577 -10.095 2.047 1.00 1.16 C ATOM 916 CD1 ILE A 59 12.852 -7.904 4.298 1.00 1.64 C ATOM 0 H ILE A 59 11.636 -6.215 1.965 1.00 0.67 H new ATOM 0 HA ILE A 59 13.959 -7.820 1.878 1.00 0.66 H new ATOM 0 HB ILE A 59 11.081 -8.701 1.438 1.00 0.95 H new ATOM 0 HG12 ILE A 59 10.995 -7.364 3.395 1.00 1.05 H new ATOM 0 HG13 ILE A 59 11.072 -9.027 3.943 1.00 1.05 H new ATOM 0 HG21 ILE A 59 11.863 -10.780 2.504 1.00 1.16 H new ATOM 0 HG22 ILE A 59 12.783 -10.414 1.025 1.00 1.16 H new ATOM 0 HG23 ILE A 59 13.503 -10.099 2.622 1.00 1.16 H new ATOM 0 HD11 ILE A 59 12.526 -7.592 5.290 1.00 1.64 H new ATOM 0 HD12 ILE A 59 13.490 -8.783 4.385 1.00 1.64 H new ATOM 0 HD13 ILE A 59 13.412 -7.095 3.829 1.00 1.64 H new ATOM 928 N GLY A 60 14.360 -7.904 -0.589 1.00 0.70 N ATOM 929 CA GLY A 60 14.619 -8.186 -1.983 1.00 0.77 C ATOM 930 C GLY A 60 14.529 -6.952 -2.856 1.00 0.74 C ATOM 931 O GLY A 60 14.978 -6.971 -4.002 1.00 0.79 O ATOM 0 H GLY A 60 15.176 -7.613 -0.051 1.00 0.70 H new ATOM 0 HA2 GLY A 60 15.612 -8.624 -2.082 1.00 0.77 H new ATOM 0 HA3 GLY A 60 13.905 -8.930 -2.338 1.00 0.77 H new ATOM 935 N GLY A 61 13.952 -5.871 -2.329 1.00 0.70 N ATOM 936 CA GLY A 61 13.834 -4.653 -3.110 1.00 0.72 C ATOM 937 C GLY A 61 12.459 -4.024 -2.998 1.00 0.74 C ATOM 938 O GLY A 61 11.494 -4.687 -2.619 1.00 1.20 O ATOM 0 H GLY A 61 13.569 -5.819 -1.385 1.00 0.70 H new ATOM 0 HA2 GLY A 61 14.586 -3.937 -2.777 1.00 0.72 H new ATOM 0 HA3 GLY A 61 14.045 -4.874 -4.156 1.00 0.72 H new ATOM 942 N TYR A 62 12.367 -2.738 -3.329 1.00 0.69 N ATOM 943 CA TYR A 62 11.099 -2.020 -3.264 1.00 0.84 C ATOM 944 C TYR A 62 10.779 -1.347 -4.593 1.00 0.73 C ATOM 945 O TYR A 62 11.651 -0.762 -5.233 1.00 0.97 O ATOM 946 CB TYR A 62 11.134 -0.973 -2.149 1.00 1.36 C ATOM 947 CG TYR A 62 12.030 0.207 -2.449 1.00 1.92 C ATOM 948 CD1 TYR A 62 13.411 0.102 -2.338 1.00 2.32 C ATOM 949 CD2 TYR A 62 11.494 1.429 -2.842 1.00 2.43 C ATOM 950 CE1 TYR A 62 14.233 1.179 -2.609 1.00 3.05 C ATOM 951 CE2 TYR A 62 12.310 2.511 -3.114 1.00 3.07 C ATOM 952 CZ TYR A 62 13.678 2.379 -2.997 1.00 3.35 C ATOM 953 OH TYR A 62 14.494 3.454 -3.268 1.00 4.10 O ATOM 0 H TYR A 62 13.156 -2.173 -3.645 1.00 0.69 H new ATOM 0 HA TYR A 62 10.316 -2.747 -3.048 1.00 0.84 H new ATOM 0 HB2 TYR A 62 10.121 -0.612 -1.970 1.00 1.36 H new ATOM 0 HB3 TYR A 62 11.471 -1.448 -1.228 1.00 1.36 H new ATOM 0 HD1 TYR A 62 13.849 -0.837 -2.035 1.00 2.32 H new ATOM 0 HD2 TYR A 62 10.423 1.534 -2.936 1.00 2.43 H new ATOM 0 HE1 TYR A 62 15.305 1.081 -2.517 1.00 3.05 H new ATOM 0 HE2 TYR A 62 11.879 3.454 -3.416 1.00 3.07 H new ATOM 0 HH TYR A 62 13.946 4.223 -3.529 1.00 4.10 H new ATOM 963 N LYS A 63 9.516 -1.431 -5.000 1.00 0.66 N ATOM 964 CA LYS A 63 9.074 -0.827 -6.249 1.00 0.78 C ATOM 965 C LYS A 63 7.712 -0.161 -6.069 1.00 0.67 C ATOM 966 O LYS A 63 6.741 -0.806 -5.674 1.00 0.54 O ATOM 967 CB LYS A 63 9.004 -1.882 -7.354 1.00 1.11 C ATOM 968 CG LYS A 63 10.280 -1.991 -8.174 1.00 1.28 C ATOM 969 CD LYS A 63 10.919 -3.361 -8.031 1.00 1.83 C ATOM 970 CE LYS A 63 12.438 -3.273 -8.056 1.00 2.36 C ATOM 971 NZ LYS A 63 13.025 -4.094 -9.149 1.00 3.18 N ATOM 0 H LYS A 63 8.781 -1.912 -4.481 1.00 0.66 H new ATOM 0 HA LYS A 63 9.797 -0.065 -6.538 1.00 0.78 H new ATOM 0 HB2 LYS A 63 8.786 -2.851 -6.906 1.00 1.11 H new ATOM 0 HB3 LYS A 63 8.174 -1.645 -8.019 1.00 1.11 H new ATOM 0 HG2 LYS A 63 10.056 -1.801 -9.224 1.00 1.28 H new ATOM 0 HG3 LYS A 63 10.986 -1.224 -7.854 1.00 1.28 H new ATOM 0 HD2 LYS A 63 10.595 -3.819 -7.096 1.00 1.83 H new ATOM 0 HD3 LYS A 63 10.578 -4.009 -8.838 1.00 1.83 H new ATOM 0 HE2 LYS A 63 12.739 -2.233 -8.182 1.00 2.36 H new ATOM 0 HE3 LYS A 63 12.836 -3.606 -7.098 1.00 2.36 H new ATOM 0 HZ1 LYS A 63 14.061 -4.006 -9.131 1.00 3.18 H new ATOM 0 HZ2 LYS A 63 12.760 -5.091 -9.015 1.00 3.18 H new ATOM 0 HZ3 LYS A 63 12.665 -3.760 -10.066 1.00 3.18 H new ATOM 985 N VAL A 64 7.651 1.133 -6.361 1.00 0.81 N ATOM 986 CA VAL A 64 6.412 1.888 -6.229 1.00 0.77 C ATOM 987 C VAL A 64 6.207 2.827 -7.413 1.00 0.82 C ATOM 988 O VAL A 64 7.145 3.484 -7.864 1.00 0.89 O ATOM 989 CB VAL A 64 6.390 2.711 -4.927 1.00 0.85 C ATOM 990 CG1 VAL A 64 7.567 3.672 -4.884 1.00 1.49 C ATOM 991 CG2 VAL A 64 5.074 3.462 -4.791 1.00 1.71 C ATOM 0 H VAL A 64 8.446 1.681 -6.691 1.00 0.81 H new ATOM 0 HA VAL A 64 5.602 1.159 -6.204 1.00 0.77 H new ATOM 0 HB VAL A 64 6.479 2.026 -4.084 1.00 0.85 H new ATOM 0 HG11 VAL A 64 7.535 4.245 -3.957 1.00 1.49 H new ATOM 0 HG12 VAL A 64 8.499 3.108 -4.930 1.00 1.49 H new ATOM 0 HG13 VAL A 64 7.512 4.353 -5.734 1.00 1.49 H new ATOM 0 HG21 VAL A 64 5.077 4.037 -3.865 1.00 1.71 H new ATOM 0 HG22 VAL A 64 4.951 4.137 -5.638 1.00 1.71 H new ATOM 0 HG23 VAL A 64 4.249 2.750 -4.772 1.00 1.71 H new ATOM 1001 N ARG A 65 4.976 2.892 -7.909 1.00 0.82 N ATOM 1002 CA ARG A 65 4.652 3.757 -9.036 1.00 0.92 C ATOM 1003 C ARG A 65 4.449 5.195 -8.569 1.00 1.03 C ATOM 1004 O ARG A 65 3.599 5.469 -7.722 1.00 1.18 O ATOM 1005 CB ARG A 65 3.393 3.257 -9.749 1.00 0.96 C ATOM 1006 CG ARG A 65 3.355 3.605 -11.228 1.00 1.51 C ATOM 1007 CD ARG A 65 2.915 2.416 -12.068 1.00 2.02 C ATOM 1008 NE ARG A 65 3.833 2.157 -13.174 1.00 2.60 N ATOM 1009 CZ ARG A 65 3.876 2.891 -14.282 1.00 3.22 C ATOM 1010 NH1 ARG A 65 3.059 3.925 -14.427 1.00 3.52 N ATOM 1011 NH2 ARG A 65 4.737 2.592 -15.244 1.00 3.99 N ATOM 0 H ARG A 65 4.187 2.356 -7.548 1.00 0.82 H new ATOM 0 HA ARG A 65 5.488 3.731 -9.736 1.00 0.92 H new ATOM 0 HB2 ARG A 65 3.327 2.175 -9.637 1.00 0.96 H new ATOM 0 HB3 ARG A 65 2.516 3.682 -9.261 1.00 0.96 H new ATOM 0 HG2 ARG A 65 2.672 4.439 -11.389 1.00 1.51 H new ATOM 0 HG3 ARG A 65 4.342 3.935 -11.551 1.00 1.51 H new ATOM 0 HD2 ARG A 65 2.850 1.530 -11.436 1.00 2.02 H new ATOM 0 HD3 ARG A 65 1.916 2.601 -12.462 1.00 2.02 H new ATOM 0 HE ARG A 65 4.476 1.370 -13.092 1.00 2.60 H new ATOM 0 HH11 ARG A 65 2.396 4.159 -13.688 1.00 3.52 H new ATOM 0 HH12 ARG A 65 3.093 4.487 -15.278 1.00 3.52 H new ATOM 0 HH21 ARG A 65 5.368 1.798 -15.135 1.00 3.99 H new ATOM 0 HH22 ARG A 65 4.769 3.156 -16.093 1.00 3.99 H new ATOM 1025 N ASN A 66 5.238 6.110 -9.123 1.00 1.03 N ATOM 1026 CA ASN A 66 5.146 7.520 -8.758 1.00 1.16 C ATOM 1027 C ASN A 66 3.904 8.168 -9.361 1.00 1.03 C ATOM 1028 O ASN A 66 4.002 9.126 -10.129 1.00 1.79 O ATOM 1029 CB ASN A 66 6.400 8.267 -9.218 1.00 1.96 C ATOM 1030 CG ASN A 66 6.610 9.562 -8.460 1.00 2.83 C ATOM 1031 OD1 ASN A 66 5.664 10.154 -7.942 1.00 3.41 O ATOM 1032 ND2 ASN A 66 7.859 10.011 -8.391 1.00 3.48 N ATOM 0 H ASN A 66 5.947 5.901 -9.825 1.00 1.03 H new ATOM 0 HA ASN A 66 5.068 7.581 -7.673 1.00 1.16 H new ATOM 0 HB2 ASN A 66 7.271 7.626 -9.085 1.00 1.96 H new ATOM 0 HB3 ASN A 66 6.322 8.481 -10.284 1.00 1.96 H new ATOM 0 HD21 ASN A 66 8.062 10.878 -7.894 1.00 3.48 H new ATOM 0 HD22 ASN A 66 8.614 9.488 -8.835 1.00 3.48 H new ATOM 1039 N GLN A 67 2.733 7.645 -9.006 1.00 1.15 N ATOM 1040 CA GLN A 67 1.471 8.178 -9.511 1.00 1.99 C ATOM 1041 C GLN A 67 0.317 7.851 -8.564 1.00 1.73 C ATOM 1042 O GLN A 67 -0.842 7.823 -8.974 1.00 2.55 O ATOM 1043 CB GLN A 67 1.175 7.612 -10.902 1.00 2.86 C ATOM 1044 CG GLN A 67 0.205 8.463 -11.708 1.00 3.88 C ATOM 1045 CD GLN A 67 0.758 9.839 -12.021 1.00 4.69 C ATOM 1046 OE1 GLN A 67 1.969 10.024 -12.142 1.00 5.12 O ATOM 1047 NE2 GLN A 67 -0.130 10.819 -12.151 1.00 5.31 N ATOM 0 H GLN A 67 2.632 6.853 -8.371 1.00 1.15 H new ATOM 0 HA GLN A 67 1.567 9.262 -9.576 1.00 1.99 H new ATOM 0 HB2 GLN A 67 2.110 7.519 -11.454 1.00 2.86 H new ATOM 0 HB3 GLN A 67 0.765 6.608 -10.797 1.00 2.86 H new ATOM 0 HG2 GLN A 67 -0.034 7.951 -12.640 1.00 3.88 H new ATOM 0 HG3 GLN A 67 -0.728 8.568 -11.154 1.00 3.88 H new ATOM 0 HE21 GLN A 67 -1.125 10.623 -12.043 1.00 5.31 H new ATOM 0 HE22 GLN A 67 0.184 11.767 -12.359 1.00 5.31 H new ATOM 1056 N HIS A 68 0.643 7.605 -7.295 1.00 0.89 N ATOM 1057 CA HIS A 68 -0.366 7.280 -6.284 1.00 0.62 C ATOM 1058 C HIS A 68 -1.421 6.318 -6.833 1.00 0.68 C ATOM 1059 O HIS A 68 -2.593 6.674 -6.949 1.00 1.37 O ATOM 1060 CB HIS A 68 -1.043 8.557 -5.781 1.00 0.63 C ATOM 1061 CG HIS A 68 -1.832 9.274 -6.834 1.00 1.42 C ATOM 1062 ND1 HIS A 68 -3.196 9.128 -6.983 1.00 2.23 N ATOM 1063 CD2 HIS A 68 -1.442 10.147 -7.792 1.00 2.22 C ATOM 1064 CE1 HIS A 68 -3.610 9.880 -7.988 1.00 2.85 C ATOM 1065 NE2 HIS A 68 -2.565 10.509 -8.496 1.00 2.83 N ATOM 0 H HIS A 68 1.599 7.624 -6.941 1.00 0.89 H new ATOM 0 HA HIS A 68 0.144 6.788 -5.455 1.00 0.62 H new ATOM 0 HB2 HIS A 68 -1.705 8.305 -4.952 1.00 0.63 H new ATOM 0 HB3 HIS A 68 -0.282 9.231 -5.388 1.00 0.63 H new ATOM 0 HD1 HIS A 68 -3.792 8.533 -6.407 1.00 2.23 H new ATOM 0 HD2 HIS A 68 -0.435 10.495 -7.970 1.00 2.22 H new ATOM 0 HE1 HIS A 68 -4.629 9.966 -8.335 1.00 2.85 H new ATOM 1074 N TRP A 69 -0.998 5.103 -7.170 1.00 0.51 N ATOM 1075 CA TRP A 69 -1.917 4.106 -7.705 1.00 0.45 C ATOM 1076 C TRP A 69 -1.627 2.719 -7.139 1.00 0.37 C ATOM 1077 O TRP A 69 -2.431 2.168 -6.384 1.00 0.44 O ATOM 1078 CB TRP A 69 -1.838 4.073 -9.232 1.00 0.56 C ATOM 1079 CG TRP A 69 -3.177 3.930 -9.891 1.00 0.93 C ATOM 1080 CD1 TRP A 69 -4.281 4.708 -9.682 1.00 1.16 C ATOM 1081 CD2 TRP A 69 -3.556 2.951 -10.865 1.00 1.62 C ATOM 1082 NE1 TRP A 69 -5.321 4.272 -10.464 1.00 1.72 N ATOM 1083 CE2 TRP A 69 -4.902 3.194 -11.200 1.00 2.01 C ATOM 1084 CE3 TRP A 69 -2.888 1.891 -11.486 1.00 2.13 C ATOM 1085 CZ2 TRP A 69 -5.590 2.417 -12.129 1.00 2.74 C ATOM 1086 CZ3 TRP A 69 -3.572 1.121 -12.406 1.00 2.88 C ATOM 1087 CH2 TRP A 69 -4.910 1.386 -12.720 1.00 3.14 C ATOM 0 H TRP A 69 -0.032 4.788 -7.083 1.00 0.51 H new ATOM 0 HA TRP A 69 -2.925 4.391 -7.404 1.00 0.45 H new ATOM 0 HB2 TRP A 69 -1.363 4.989 -9.584 1.00 0.56 H new ATOM 0 HB3 TRP A 69 -1.199 3.244 -9.538 1.00 0.56 H new ATOM 0 HD1 TRP A 69 -4.328 5.544 -9.000 1.00 1.16 H new ATOM 0 HE1 TRP A 69 -6.254 4.683 -10.493 1.00 1.72 H new ATOM 0 HE3 TRP A 69 -1.856 1.678 -11.250 1.00 2.13 H new ATOM 0 HZ2 TRP A 69 -6.622 2.620 -12.374 1.00 2.74 H new ATOM 0 HZ3 TRP A 69 -3.066 0.300 -12.892 1.00 2.88 H new ATOM 0 HH2 TRP A 69 -5.417 0.764 -13.443 1.00 3.14 H new ATOM 1098 N SER A 70 -0.486 2.150 -7.515 1.00 0.35 N ATOM 1099 CA SER A 70 -0.113 0.818 -7.047 1.00 0.33 C ATOM 1100 C SER A 70 1.342 0.773 -6.584 1.00 0.36 C ATOM 1101 O SER A 70 2.150 1.629 -6.945 1.00 0.39 O ATOM 1102 CB SER A 70 -0.336 -0.213 -8.154 1.00 0.40 C ATOM 1103 OG SER A 70 0.217 0.227 -9.382 1.00 1.02 O ATOM 0 H SER A 70 0.193 2.586 -8.138 1.00 0.35 H new ATOM 0 HA SER A 70 -0.747 0.578 -6.194 1.00 0.33 H new ATOM 0 HB2 SER A 70 0.117 -1.162 -7.867 1.00 0.40 H new ATOM 0 HB3 SER A 70 -1.404 -0.394 -8.277 1.00 0.40 H new ATOM 0 HG SER A 70 0.062 -0.451 -10.072 1.00 1.02 H new ATOM 1109 N LEU A 71 1.668 -0.252 -5.801 1.00 0.38 N ATOM 1110 CA LEU A 71 3.024 -0.449 -5.298 1.00 0.44 C ATOM 1111 C LEU A 71 3.347 -1.942 -5.254 1.00 0.44 C ATOM 1112 O LEU A 71 2.483 -2.754 -4.925 1.00 0.52 O ATOM 1113 CB LEU A 71 3.192 0.168 -3.903 1.00 0.51 C ATOM 1114 CG LEU A 71 1.894 0.485 -3.157 1.00 0.63 C ATOM 1115 CD1 LEU A 71 2.117 0.436 -1.653 1.00 0.98 C ATOM 1116 CD2 LEU A 71 1.357 1.847 -3.574 1.00 0.80 C ATOM 0 H LEU A 71 1.004 -0.965 -5.499 1.00 0.38 H new ATOM 0 HA LEU A 71 3.717 0.052 -5.974 1.00 0.44 H new ATOM 0 HB2 LEU A 71 3.783 -0.515 -3.293 1.00 0.51 H new ATOM 0 HB3 LEU A 71 3.768 1.088 -4.000 1.00 0.51 H new ATOM 0 HG LEU A 71 1.154 -0.271 -3.419 1.00 0.63 H new ATOM 0 HD11 LEU A 71 1.183 0.664 -1.139 1.00 0.98 H new ATOM 0 HD12 LEU A 71 2.454 -0.560 -1.367 1.00 0.98 H new ATOM 0 HD13 LEU A 71 2.873 1.169 -1.373 1.00 0.98 H new ATOM 0 HD21 LEU A 71 0.434 2.055 -3.033 1.00 0.80 H new ATOM 0 HD22 LEU A 71 2.095 2.615 -3.342 1.00 0.80 H new ATOM 0 HD23 LEU A 71 1.158 1.847 -4.646 1.00 0.80 H new ATOM 1128 N ILE A 72 4.582 -2.310 -5.586 1.00 0.39 N ATOM 1129 CA ILE A 72 4.971 -3.718 -5.575 1.00 0.39 C ATOM 1130 C ILE A 72 6.151 -3.977 -4.640 1.00 0.36 C ATOM 1131 O ILE A 72 7.255 -3.476 -4.856 1.00 0.38 O ATOM 1132 CB ILE A 72 5.331 -4.225 -6.984 1.00 0.42 C ATOM 1133 CG1 ILE A 72 5.630 -5.728 -6.944 1.00 0.44 C ATOM 1134 CG2 ILE A 72 6.518 -3.452 -7.536 1.00 0.45 C ATOM 1135 CD1 ILE A 72 6.211 -6.269 -8.233 1.00 1.12 C ATOM 0 H ILE A 72 5.321 -1.664 -5.862 1.00 0.39 H new ATOM 0 HA ILE A 72 4.101 -4.265 -5.210 1.00 0.39 H new ATOM 0 HB ILE A 72 4.481 -4.061 -7.646 1.00 0.42 H new ATOM 0 HG12 ILE A 72 6.326 -5.929 -6.130 1.00 0.44 H new ATOM 0 HG13 ILE A 72 4.710 -6.266 -6.717 1.00 0.44 H new ATOM 0 HG21 ILE A 72 6.761 -3.821 -8.532 1.00 0.45 H new ATOM 0 HG22 ILE A 72 6.268 -2.393 -7.593 1.00 0.45 H new ATOM 0 HG23 ILE A 72 7.377 -3.587 -6.879 1.00 0.45 H new ATOM 0 HD11 ILE A 72 6.396 -7.338 -8.128 1.00 1.12 H new ATOM 0 HD12 ILE A 72 5.507 -6.101 -9.048 1.00 1.12 H new ATOM 0 HD13 ILE A 72 7.149 -5.758 -8.452 1.00 1.12 H new ATOM 1147 N MET A 73 5.900 -4.772 -3.606 1.00 0.36 N ATOM 1148 CA MET A 73 6.922 -5.123 -2.627 1.00 0.36 C ATOM 1149 C MET A 73 7.241 -6.611 -2.702 1.00 0.33 C ATOM 1150 O MET A 73 6.354 -7.434 -2.927 1.00 0.43 O ATOM 1151 CB MET A 73 6.443 -4.770 -1.218 1.00 0.43 C ATOM 1152 CG MET A 73 5.641 -3.479 -1.150 1.00 0.83 C ATOM 1153 SD MET A 73 6.690 -2.013 -1.096 1.00 1.86 S ATOM 1154 CE MET A 73 5.962 -1.025 -2.399 1.00 2.56 C ATOM 0 H MET A 73 4.987 -5.189 -3.423 1.00 0.36 H new ATOM 0 HA MET A 73 7.825 -4.556 -2.852 1.00 0.36 H new ATOM 0 HB2 MET A 73 5.832 -5.588 -0.836 1.00 0.43 H new ATOM 0 HB3 MET A 73 7.308 -4.685 -0.560 1.00 0.43 H new ATOM 0 HG2 MET A 73 4.983 -3.418 -2.017 1.00 0.83 H new ATOM 0 HG3 MET A 73 5.003 -3.498 -0.266 1.00 0.83 H new ATOM 0 HE1 MET A 73 6.621 -0.189 -2.633 1.00 2.56 H new ATOM 0 HE2 MET A 73 5.825 -1.640 -3.289 1.00 2.56 H new ATOM 0 HE3 MET A 73 4.995 -0.644 -2.070 1.00 2.56 H new ATOM 1164 N GLU A 74 8.509 -6.949 -2.514 1.00 0.33 N ATOM 1165 CA GLU A 74 8.943 -8.338 -2.561 1.00 0.31 C ATOM 1166 C GLU A 74 8.990 -8.933 -1.160 1.00 0.31 C ATOM 1167 O GLU A 74 9.800 -8.525 -0.328 1.00 0.37 O ATOM 1168 CB GLU A 74 10.317 -8.439 -3.222 1.00 0.37 C ATOM 1169 CG GLU A 74 10.901 -9.843 -3.210 1.00 0.41 C ATOM 1170 CD GLU A 74 10.359 -10.708 -4.331 1.00 0.89 C ATOM 1171 OE1 GLU A 74 10.334 -10.238 -5.487 1.00 1.12 O ATOM 1172 OE2 GLU A 74 9.959 -11.858 -4.050 1.00 1.52 O ATOM 0 H GLU A 74 9.256 -6.280 -2.327 1.00 0.33 H new ATOM 0 HA GLU A 74 8.224 -8.904 -3.153 1.00 0.31 H new ATOM 0 HB2 GLU A 74 10.240 -8.096 -4.254 1.00 0.37 H new ATOM 0 HB3 GLU A 74 11.005 -7.765 -2.713 1.00 0.37 H new ATOM 0 HG2 GLU A 74 11.986 -9.782 -3.295 1.00 0.41 H new ATOM 0 HG3 GLU A 74 10.682 -10.316 -2.253 1.00 0.41 H new ATOM 1179 N SER A 75 8.117 -9.899 -0.899 1.00 0.29 N ATOM 1180 CA SER A 75 8.070 -10.540 0.410 1.00 0.33 C ATOM 1181 C SER A 75 8.035 -12.059 0.280 1.00 0.33 C ATOM 1182 O SER A 75 6.976 -12.653 0.078 1.00 0.38 O ATOM 1183 CB SER A 75 6.854 -10.050 1.198 1.00 0.41 C ATOM 1184 OG SER A 75 5.680 -10.744 0.814 1.00 1.32 O ATOM 0 H SER A 75 7.437 -10.254 -1.571 1.00 0.29 H new ATOM 0 HA SER A 75 8.977 -10.267 0.950 1.00 0.33 H new ATOM 0 HB2 SER A 75 7.029 -10.189 2.265 1.00 0.41 H new ATOM 0 HB3 SER A 75 6.718 -8.981 1.034 1.00 0.41 H new ATOM 0 HG SER A 75 5.880 -11.329 0.053 1.00 1.32 H new ATOM 1190 N VAL A 76 9.199 -12.683 0.416 1.00 0.37 N ATOM 1191 CA VAL A 76 9.300 -14.133 0.333 1.00 0.41 C ATOM 1192 C VAL A 76 9.103 -14.749 1.711 1.00 0.43 C ATOM 1193 O VAL A 76 8.386 -15.738 1.870 1.00 0.46 O ATOM 1194 CB VAL A 76 10.662 -14.577 -0.233 1.00 0.48 C ATOM 1195 CG1 VAL A 76 10.879 -13.994 -1.620 1.00 1.54 C ATOM 1196 CG2 VAL A 76 11.789 -14.171 0.704 1.00 1.33 C ATOM 0 H VAL A 76 10.085 -12.207 0.584 1.00 0.37 H new ATOM 0 HA VAL A 76 8.519 -14.478 -0.345 1.00 0.41 H new ATOM 0 HB VAL A 76 10.663 -15.664 -0.315 1.00 0.48 H new ATOM 0 HG11 VAL A 76 11.846 -14.318 -2.004 1.00 1.54 H new ATOM 0 HG12 VAL A 76 10.089 -14.339 -2.287 1.00 1.54 H new ATOM 0 HG13 VAL A 76 10.857 -12.906 -1.565 1.00 1.54 H new ATOM 0 HG21 VAL A 76 12.743 -14.493 0.287 1.00 1.33 H new ATOM 0 HG22 VAL A 76 11.792 -13.087 0.821 1.00 1.33 H new ATOM 0 HG23 VAL A 76 11.641 -14.641 1.676 1.00 1.33 H new ATOM 1206 N VAL A 77 9.737 -14.141 2.708 1.00 0.45 N ATOM 1207 CA VAL A 77 9.629 -14.610 4.086 1.00 0.49 C ATOM 1208 C VAL A 77 8.479 -13.909 4.813 1.00 0.45 C ATOM 1209 O VAL A 77 7.666 -14.561 5.469 1.00 0.47 O ATOM 1210 CB VAL A 77 10.935 -14.388 4.881 1.00 0.57 C ATOM 1211 CG1 VAL A 77 11.029 -15.375 6.035 1.00 0.80 C ATOM 1212 CG2 VAL A 77 12.154 -14.504 3.975 1.00 0.77 C ATOM 0 H VAL A 77 10.332 -13.321 2.588 1.00 0.45 H new ATOM 0 HA VAL A 77 9.434 -15.681 4.033 1.00 0.49 H new ATOM 0 HB VAL A 77 10.916 -13.378 5.289 1.00 0.57 H new ATOM 0 HG11 VAL A 77 11.955 -15.205 6.585 1.00 0.80 H new ATOM 0 HG12 VAL A 77 10.179 -15.235 6.703 1.00 0.80 H new ATOM 0 HG13 VAL A 77 11.020 -16.393 5.645 1.00 0.80 H new ATOM 0 HG21 VAL A 77 13.059 -14.343 4.561 1.00 0.77 H new ATOM 0 HG22 VAL A 77 12.182 -15.498 3.529 1.00 0.77 H new ATOM 0 HG23 VAL A 77 12.094 -13.754 3.187 1.00 0.77 H new ATOM 1222 N PRO A 78 8.390 -12.568 4.708 1.00 0.43 N ATOM 1223 CA PRO A 78 7.328 -11.792 5.361 1.00 0.41 C ATOM 1224 C PRO A 78 5.938 -12.166 4.854 1.00 0.35 C ATOM 1225 O PRO A 78 4.932 -11.862 5.496 1.00 0.34 O ATOM 1226 CB PRO A 78 7.651 -10.338 4.994 1.00 0.42 C ATOM 1227 CG PRO A 78 9.075 -10.349 4.552 1.00 0.48 C ATOM 1228 CD PRO A 78 9.307 -11.702 3.947 1.00 0.46 C ATOM 0 HA PRO A 78 7.304 -11.976 6.435 1.00 0.41 H new ATOM 0 HB2 PRO A 78 6.996 -9.978 4.201 1.00 0.42 H new ATOM 0 HB3 PRO A 78 7.510 -9.676 5.849 1.00 0.42 H new ATOM 0 HG2 PRO A 78 9.265 -9.559 3.826 1.00 0.48 H new ATOM 0 HG3 PRO A 78 9.746 -10.177 5.393 1.00 0.48 H new ATOM 0 HD2 PRO A 78 9.080 -11.712 2.881 1.00 0.46 H new ATOM 0 HD3 PRO A 78 10.344 -12.020 4.054 1.00 0.46 H new ATOM 1236 N SER A 79 5.884 -12.825 3.699 1.00 0.34 N ATOM 1237 CA SER A 79 4.610 -13.235 3.115 1.00 0.34 C ATOM 1238 C SER A 79 3.780 -14.018 4.121 1.00 0.38 C ATOM 1239 O SER A 79 2.556 -14.077 4.015 1.00 0.39 O ATOM 1240 CB SER A 79 4.846 -14.080 1.862 1.00 0.39 C ATOM 1241 OG SER A 79 4.216 -13.502 0.732 1.00 1.13 O ATOM 0 H SER A 79 6.704 -13.086 3.151 1.00 0.34 H new ATOM 0 HA SER A 79 4.060 -12.336 2.838 1.00 0.34 H new ATOM 0 HB2 SER A 79 5.916 -14.173 1.678 1.00 0.39 H new ATOM 0 HB3 SER A 79 4.462 -15.088 2.021 1.00 0.39 H new ATOM 0 HG SER A 79 4.888 -13.054 0.176 1.00 1.13 H new ATOM 1247 N ASP A 80 4.447 -14.610 5.108 1.00 0.43 N ATOM 1248 CA ASP A 80 3.752 -15.373 6.135 1.00 0.50 C ATOM 1249 C ASP A 80 2.640 -14.538 6.746 1.00 0.42 C ATOM 1250 O ASP A 80 1.584 -15.059 7.102 1.00 0.47 O ATOM 1251 CB ASP A 80 4.725 -15.836 7.220 1.00 0.62 C ATOM 1252 CG ASP A 80 5.241 -17.240 6.973 1.00 1.27 C ATOM 1253 OD1 ASP A 80 5.165 -17.706 5.816 1.00 2.02 O ATOM 1254 OD2 ASP A 80 5.717 -17.876 7.936 1.00 1.69 O ATOM 0 H ASP A 80 5.461 -14.576 5.216 1.00 0.43 H new ATOM 0 HA ASP A 80 3.315 -16.256 5.669 1.00 0.50 H new ATOM 0 HB2 ASP A 80 5.567 -15.146 7.268 1.00 0.62 H new ATOM 0 HB3 ASP A 80 4.228 -15.800 8.189 1.00 0.62 H new ATOM 1259 N LYS A 81 2.869 -13.232 6.840 1.00 0.38 N ATOM 1260 CA LYS A 81 1.855 -12.344 7.381 1.00 0.33 C ATOM 1261 C LYS A 81 1.019 -11.787 6.239 1.00 0.26 C ATOM 1262 O LYS A 81 1.488 -10.963 5.454 1.00 0.27 O ATOM 1263 CB LYS A 81 2.486 -11.183 8.172 1.00 0.40 C ATOM 1264 CG LYS A 81 3.897 -11.450 8.682 1.00 0.91 C ATOM 1265 CD LYS A 81 4.922 -10.629 7.918 1.00 1.02 C ATOM 1266 CE LYS A 81 5.606 -9.611 8.816 1.00 0.87 C ATOM 1267 NZ LYS A 81 6.728 -10.212 9.589 1.00 1.23 N ATOM 0 H LYS A 81 3.734 -12.774 6.553 1.00 0.38 H new ATOM 0 HA LYS A 81 1.228 -12.915 8.066 1.00 0.33 H new ATOM 0 HB2 LYS A 81 2.506 -10.298 7.537 1.00 0.40 H new ATOM 0 HB3 LYS A 81 1.845 -10.951 9.023 1.00 0.40 H new ATOM 0 HG2 LYS A 81 3.954 -11.211 9.744 1.00 0.91 H new ATOM 0 HG3 LYS A 81 4.128 -12.510 8.581 1.00 0.91 H new ATOM 0 HD2 LYS A 81 5.670 -11.293 7.484 1.00 1.02 H new ATOM 0 HD3 LYS A 81 4.433 -10.115 7.090 1.00 1.02 H new ATOM 0 HE2 LYS A 81 5.984 -8.788 8.209 1.00 0.87 H new ATOM 0 HE3 LYS A 81 4.876 -9.188 9.506 1.00 0.87 H new ATOM 0 HZ1 LYS A 81 7.166 -9.483 10.188 1.00 1.23 H new ATOM 0 HZ2 LYS A 81 6.364 -10.980 10.188 1.00 1.23 H new ATOM 0 HZ3 LYS A 81 7.438 -10.593 8.931 1.00 1.23 H new ATOM 1281 N GLY A 82 -0.212 -12.265 6.138 1.00 0.24 N ATOM 1282 CA GLY A 82 -1.084 -11.829 5.070 1.00 0.24 C ATOM 1283 C GLY A 82 -2.024 -10.719 5.502 1.00 0.28 C ATOM 1284 O GLY A 82 -3.232 -10.774 5.263 1.00 0.53 O ATOM 0 H GLY A 82 -0.622 -12.947 6.777 1.00 0.24 H new ATOM 0 HA2 GLY A 82 -0.480 -11.483 4.231 1.00 0.24 H new ATOM 0 HA3 GLY A 82 -1.669 -12.677 4.714 1.00 0.24 H new ATOM 1288 N ASN A 83 -1.441 -9.684 6.090 1.00 0.23 N ATOM 1289 CA ASN A 83 -2.188 -8.511 6.521 1.00 0.28 C ATOM 1290 C ASN A 83 -1.559 -7.267 5.908 1.00 0.30 C ATOM 1291 O ASN A 83 -0.440 -6.900 6.261 1.00 0.36 O ATOM 1292 CB ASN A 83 -2.196 -8.404 8.047 1.00 0.40 C ATOM 1293 CG ASN A 83 -3.378 -7.606 8.564 1.00 0.82 C ATOM 1294 OD1 ASN A 83 -3.967 -6.806 7.836 1.00 1.63 O ATOM 1295 ND2 ASN A 83 -3.729 -7.820 9.826 1.00 0.96 N ATOM 0 H ASN A 83 -0.440 -9.634 6.281 1.00 0.23 H new ATOM 0 HA ASN A 83 -3.221 -8.602 6.186 1.00 0.28 H new ATOM 0 HB2 ASN A 83 -2.220 -9.405 8.479 1.00 0.40 H new ATOM 0 HB3 ASN A 83 -1.270 -7.935 8.381 1.00 0.40 H new ATOM 0 HD21 ASN A 83 -4.516 -7.312 10.230 1.00 0.96 H new ATOM 0 HD22 ASN A 83 -3.212 -8.493 10.392 1.00 0.96 H new ATOM 1302 N TYR A 84 -2.264 -6.628 4.984 1.00 0.33 N ATOM 1303 CA TYR A 84 -1.732 -5.439 4.328 1.00 0.40 C ATOM 1304 C TYR A 84 -2.568 -4.205 4.643 1.00 0.35 C ATOM 1305 O TYR A 84 -3.770 -4.172 4.380 1.00 0.44 O ATOM 1306 CB TYR A 84 -1.659 -5.654 2.816 1.00 0.57 C ATOM 1307 CG TYR A 84 -0.267 -5.984 2.323 1.00 1.17 C ATOM 1308 CD1 TYR A 84 0.548 -6.862 3.027 1.00 1.96 C ATOM 1309 CD2 TYR A 84 0.232 -5.415 1.158 1.00 1.74 C ATOM 1310 CE1 TYR A 84 1.821 -7.166 2.583 1.00 2.76 C ATOM 1311 CE2 TYR A 84 1.505 -5.712 0.708 1.00 2.46 C ATOM 1312 CZ TYR A 84 2.295 -6.588 1.423 1.00 2.86 C ATOM 1313 OH TYR A 84 3.563 -6.886 0.978 1.00 3.72 O ATOM 0 H TYR A 84 -3.195 -6.908 4.674 1.00 0.33 H new ATOM 0 HA TYR A 84 -0.727 -5.270 4.714 1.00 0.40 H new ATOM 0 HB2 TYR A 84 -2.336 -6.462 2.538 1.00 0.57 H new ATOM 0 HB3 TYR A 84 -2.012 -4.755 2.311 1.00 0.57 H new ATOM 0 HD1 TYR A 84 0.181 -7.314 3.936 1.00 1.96 H new ATOM 0 HD2 TYR A 84 -0.384 -4.730 0.595 1.00 1.74 H new ATOM 0 HE1 TYR A 84 2.441 -7.852 3.141 1.00 2.76 H new ATOM 0 HE2 TYR A 84 1.879 -5.260 -0.199 1.00 2.46 H new ATOM 0 HH TYR A 84 3.987 -7.517 1.597 1.00 3.72 H new ATOM 1323 N THR A 85 -1.918 -3.191 5.202 1.00 0.32 N ATOM 1324 CA THR A 85 -2.595 -1.949 5.549 1.00 0.33 C ATOM 1325 C THR A 85 -1.968 -0.761 4.827 1.00 0.29 C ATOM 1326 O THR A 85 -0.777 -0.478 4.981 1.00 0.31 O ATOM 1327 CB THR A 85 -2.568 -1.692 7.066 1.00 0.45 C ATOM 1328 OG1 THR A 85 -1.216 -1.636 7.531 1.00 1.14 O ATOM 1329 CG2 THR A 85 -3.319 -2.784 7.813 1.00 1.00 C ATOM 0 H THR A 85 -0.923 -3.205 5.424 1.00 0.32 H new ATOM 0 HA THR A 85 -3.632 -2.057 5.231 1.00 0.33 H new ATOM 0 HB THR A 85 -3.058 -0.737 7.258 1.00 0.45 H new ATOM 0 HG1 THR A 85 -0.606 -1.809 6.784 1.00 1.14 H new ATOM 0 HG21 THR A 85 -3.286 -2.581 8.883 1.00 1.00 H new ATOM 0 HG22 THR A 85 -4.356 -2.806 7.479 1.00 1.00 H new ATOM 0 HG23 THR A 85 -2.853 -3.749 7.612 1.00 1.00 H new ATOM 1337 N CYS A 86 -2.785 -0.072 4.040 1.00 0.30 N ATOM 1338 CA CYS A 86 -2.339 1.093 3.283 1.00 0.30 C ATOM 1339 C CYS A 86 -2.774 2.374 3.983 1.00 0.30 C ATOM 1340 O CYS A 86 -3.961 2.702 4.015 1.00 0.31 O ATOM 1341 CB CYS A 86 -2.917 1.051 1.866 1.00 0.36 C ATOM 1342 SG CYS A 86 -1.818 1.725 0.580 1.00 0.65 S ATOM 0 H CYS A 86 -3.770 -0.302 3.908 1.00 0.30 H new ATOM 0 HA CYS A 86 -1.251 1.076 3.224 1.00 0.30 H new ATOM 0 HB2 CYS A 86 -3.157 0.018 1.616 1.00 0.36 H new ATOM 0 HB3 CYS A 86 -3.854 1.608 1.853 1.00 0.36 H new ATOM 1347 N VAL A 87 -1.813 3.097 4.544 1.00 0.29 N ATOM 1348 CA VAL A 87 -2.112 4.341 5.242 1.00 0.30 C ATOM 1349 C VAL A 87 -1.597 5.546 4.464 1.00 0.31 C ATOM 1350 O VAL A 87 -0.399 5.820 4.456 1.00 0.30 O ATOM 1351 CB VAL A 87 -1.499 4.357 6.653 1.00 0.33 C ATOM 1352 CG1 VAL A 87 -1.958 5.584 7.424 1.00 0.94 C ATOM 1353 CG2 VAL A 87 -1.855 3.082 7.403 1.00 0.97 C ATOM 0 H VAL A 87 -0.825 2.845 4.530 1.00 0.29 H new ATOM 0 HA VAL A 87 -3.197 4.401 5.325 1.00 0.30 H new ATOM 0 HB VAL A 87 -0.414 4.405 6.557 1.00 0.33 H new ATOM 0 HG11 VAL A 87 -1.513 5.576 8.419 1.00 0.94 H new ATOM 0 HG12 VAL A 87 -1.646 6.484 6.894 1.00 0.94 H new ATOM 0 HG13 VAL A 87 -3.044 5.573 7.512 1.00 0.94 H new ATOM 0 HG21 VAL A 87 -1.413 3.110 8.399 1.00 0.97 H new ATOM 0 HG22 VAL A 87 -2.939 3.001 7.489 1.00 0.97 H new ATOM 0 HG23 VAL A 87 -1.469 2.220 6.859 1.00 0.97 H new ATOM 1363 N VAL A 88 -2.504 6.273 3.814 1.00 0.32 N ATOM 1364 CA VAL A 88 -2.105 7.446 3.051 1.00 0.33 C ATOM 1365 C VAL A 88 -2.329 8.720 3.853 1.00 0.30 C ATOM 1366 O VAL A 88 -3.466 9.100 4.135 1.00 0.30 O ATOM 1367 CB VAL A 88 -2.884 7.548 1.726 1.00 0.36 C ATOM 1368 CG1 VAL A 88 -2.335 8.675 0.865 1.00 1.45 C ATOM 1369 CG2 VAL A 88 -2.838 6.227 0.974 1.00 1.50 C ATOM 0 H VAL A 88 -3.504 6.072 3.802 1.00 0.32 H new ATOM 0 HA VAL A 88 -1.043 7.335 2.832 1.00 0.33 H new ATOM 0 HB VAL A 88 -3.925 7.773 1.959 1.00 0.36 H new ATOM 0 HG11 VAL A 88 -2.899 8.730 -0.066 1.00 1.45 H new ATOM 0 HG12 VAL A 88 -2.426 9.620 1.401 1.00 1.45 H new ATOM 0 HG13 VAL A 88 -1.285 8.484 0.642 1.00 1.45 H new ATOM 0 HG21 VAL A 88 -3.394 6.320 0.041 1.00 1.50 H new ATOM 0 HG22 VAL A 88 -1.802 5.969 0.755 1.00 1.50 H new ATOM 0 HG23 VAL A 88 -3.285 5.444 1.586 1.00 1.50 H new ATOM 1379 N GLU A 89 -1.232 9.368 4.230 1.00 0.32 N ATOM 1380 CA GLU A 89 -1.295 10.592 5.015 1.00 0.32 C ATOM 1381 C GLU A 89 -1.006 11.815 4.158 1.00 0.31 C ATOM 1382 O GLU A 89 -0.309 11.729 3.146 1.00 0.32 O ATOM 1383 CB GLU A 89 -0.305 10.521 6.177 1.00 0.37 C ATOM 1384 CG GLU A 89 -0.406 11.693 7.140 1.00 0.43 C ATOM 1385 CD GLU A 89 0.639 11.638 8.238 1.00 0.83 C ATOM 1386 OE1 GLU A 89 1.746 12.184 8.034 1.00 1.33 O ATOM 1387 OE2 GLU A 89 0.352 11.052 9.302 1.00 1.46 O ATOM 0 H GLU A 89 -0.286 9.063 4.003 1.00 0.32 H new ATOM 0 HA GLU A 89 -2.307 10.688 5.408 1.00 0.32 H new ATOM 0 HB2 GLU A 89 -0.471 9.595 6.727 1.00 0.37 H new ATOM 0 HB3 GLU A 89 0.708 10.477 5.777 1.00 0.37 H new ATOM 0 HG2 GLU A 89 -0.296 12.625 6.585 1.00 0.43 H new ATOM 0 HG3 GLU A 89 -1.399 11.705 7.589 1.00 0.43 H new ATOM 1394 N ASN A 90 -1.532 12.959 4.581 1.00 0.33 N ATOM 1395 CA ASN A 90 -1.325 14.214 3.873 1.00 0.36 C ATOM 1396 C ASN A 90 -1.131 15.350 4.873 1.00 0.43 C ATOM 1397 O ASN A 90 -1.374 15.180 6.069 1.00 0.39 O ATOM 1398 CB ASN A 90 -2.509 14.518 2.952 1.00 0.37 C ATOM 1399 CG ASN A 90 -3.839 14.118 3.565 1.00 0.52 C ATOM 1400 OD1 ASN A 90 -4.150 12.933 3.684 1.00 1.54 O ATOM 1401 ND2 ASN A 90 -4.630 15.109 3.958 1.00 0.86 N ATOM 0 H ASN A 90 -2.109 13.041 5.418 1.00 0.33 H new ATOM 0 HA ASN A 90 -0.429 14.122 3.259 1.00 0.36 H new ATOM 0 HB2 ASN A 90 -2.524 15.584 2.724 1.00 0.37 H new ATOM 0 HB3 ASN A 90 -2.375 13.991 2.007 1.00 0.37 H new ATOM 0 HD21 ASN A 90 -5.536 14.902 4.378 1.00 0.86 H new ATOM 0 HD22 ASN A 90 -4.332 16.077 3.840 1.00 0.86 H new ATOM 1408 N GLU A 91 -0.700 16.504 4.385 1.00 0.57 N ATOM 1409 CA GLU A 91 -0.481 17.662 5.248 1.00 0.66 C ATOM 1410 C GLU A 91 -1.786 18.134 5.893 1.00 0.68 C ATOM 1411 O GLU A 91 -1.766 18.878 6.872 1.00 0.75 O ATOM 1412 CB GLU A 91 0.141 18.810 4.450 1.00 0.76 C ATOM 1413 CG GLU A 91 0.956 19.774 5.300 1.00 1.15 C ATOM 1414 CD GLU A 91 0.492 21.210 5.158 1.00 1.72 C ATOM 1415 OE1 GLU A 91 -0.229 21.509 4.183 1.00 2.34 O ATOM 1416 OE2 GLU A 91 0.850 22.037 6.023 1.00 2.24 O ATOM 0 H GLU A 91 -0.495 16.666 3.399 1.00 0.57 H new ATOM 0 HA GLU A 91 0.203 17.357 6.040 1.00 0.66 H new ATOM 0 HB2 GLU A 91 0.782 18.395 3.672 1.00 0.76 H new ATOM 0 HB3 GLU A 91 -0.652 19.364 3.948 1.00 0.76 H new ATOM 0 HG2 GLU A 91 0.889 19.476 6.346 1.00 1.15 H new ATOM 0 HG3 GLU A 91 2.006 19.705 5.016 1.00 1.15 H new ATOM 1423 N TYR A 92 -2.919 17.712 5.335 1.00 0.64 N ATOM 1424 CA TYR A 92 -4.220 18.116 5.859 1.00 0.68 C ATOM 1425 C TYR A 92 -4.916 16.989 6.626 1.00 0.60 C ATOM 1426 O TYR A 92 -6.060 17.142 7.049 1.00 0.63 O ATOM 1427 CB TYR A 92 -5.120 18.594 4.718 1.00 0.75 C ATOM 1428 CG TYR A 92 -5.116 20.094 4.534 1.00 1.12 C ATOM 1429 CD1 TYR A 92 -4.018 20.743 3.982 1.00 1.64 C ATOM 1430 CD2 TYR A 92 -6.210 20.862 4.911 1.00 1.54 C ATOM 1431 CE1 TYR A 92 -4.011 22.113 3.813 1.00 2.10 C ATOM 1432 CE2 TYR A 92 -6.210 22.234 4.746 1.00 2.05 C ATOM 1433 CZ TYR A 92 -5.105 22.854 4.194 1.00 2.19 C ATOM 1434 OH TYR A 92 -5.105 24.220 4.028 1.00 2.77 O ATOM 0 H TYR A 92 -2.962 17.094 4.525 1.00 0.64 H new ATOM 0 HA TYR A 92 -4.044 18.931 6.561 1.00 0.68 H new ATOM 0 HB2 TYR A 92 -4.798 18.121 3.790 1.00 0.75 H new ATOM 0 HB3 TYR A 92 -6.141 18.262 4.908 1.00 0.75 H new ATOM 0 HD1 TYR A 92 -3.156 20.166 3.680 1.00 1.64 H new ATOM 0 HD2 TYR A 92 -7.075 20.379 5.340 1.00 1.54 H new ATOM 0 HE1 TYR A 92 -3.149 22.601 3.383 1.00 2.10 H new ATOM 0 HE2 TYR A 92 -7.068 22.818 5.046 1.00 2.05 H new ATOM 0 HH TYR A 92 -5.955 24.588 4.348 1.00 2.77 H new ATOM 1444 N GLY A 93 -4.233 15.861 6.806 1.00 0.52 N ATOM 1445 CA GLY A 93 -4.838 14.753 7.526 1.00 0.47 C ATOM 1446 C GLY A 93 -4.240 13.409 7.163 1.00 0.40 C ATOM 1447 O GLY A 93 -3.439 13.306 6.234 1.00 0.40 O ATOM 0 H GLY A 93 -3.284 15.695 6.471 1.00 0.52 H new ATOM 0 HA2 GLY A 93 -4.722 14.918 8.597 1.00 0.47 H new ATOM 0 HA3 GLY A 93 -5.908 14.735 7.320 1.00 0.47 H new ATOM 1451 N SER A 94 -4.635 12.377 7.902 1.00 0.38 N ATOM 1452 CA SER A 94 -4.139 11.029 7.661 1.00 0.34 C ATOM 1453 C SER A 94 -5.288 10.037 7.534 1.00 0.34 C ATOM 1454 O SER A 94 -6.217 10.039 8.343 1.00 0.38 O ATOM 1455 CB SER A 94 -3.196 10.597 8.785 1.00 0.35 C ATOM 1456 OG SER A 94 -2.816 11.702 9.587 1.00 1.04 O ATOM 0 H SER A 94 -5.298 12.450 8.674 1.00 0.38 H new ATOM 0 HA SER A 94 -3.588 11.038 6.720 1.00 0.34 H new ATOM 0 HB2 SER A 94 -3.685 9.845 9.405 1.00 0.35 H new ATOM 0 HB3 SER A 94 -2.308 10.131 8.359 1.00 0.35 H new ATOM 0 HG SER A 94 -1.845 11.694 9.716 1.00 1.04 H new ATOM 1462 N ILE A 95 -5.217 9.192 6.512 1.00 0.32 N ATOM 1463 CA ILE A 95 -6.252 8.191 6.272 1.00 0.34 C ATOM 1464 C ILE A 95 -5.668 6.782 6.366 1.00 0.31 C ATOM 1465 O ILE A 95 -4.483 6.575 6.110 1.00 0.29 O ATOM 1466 CB ILE A 95 -6.920 8.377 4.889 1.00 0.38 C ATOM 1467 CG1 ILE A 95 -6.885 9.856 4.463 1.00 0.41 C ATOM 1468 CG2 ILE A 95 -8.350 7.857 4.927 1.00 0.44 C ATOM 1469 CD1 ILE A 95 -7.784 10.179 3.286 1.00 0.47 C ATOM 0 H ILE A 95 -4.454 9.179 5.836 1.00 0.32 H new ATOM 0 HA ILE A 95 -7.012 8.325 7.042 1.00 0.34 H new ATOM 0 HB ILE A 95 -6.362 7.803 4.150 1.00 0.38 H new ATOM 0 HG12 ILE A 95 -7.177 10.475 5.311 1.00 0.41 H new ATOM 0 HG13 ILE A 95 -5.860 10.126 4.209 1.00 0.41 H new ATOM 0 HG21 ILE A 95 -8.812 7.992 3.949 1.00 0.44 H new ATOM 0 HG22 ILE A 95 -8.345 6.797 5.183 1.00 0.44 H new ATOM 0 HG23 ILE A 95 -8.918 8.409 5.676 1.00 0.44 H new ATOM 0 HD11 ILE A 95 -7.703 11.239 3.047 1.00 0.47 H new ATOM 0 HD12 ILE A 95 -7.479 9.588 2.422 1.00 0.47 H new ATOM 0 HD13 ILE A 95 -8.817 9.942 3.541 1.00 0.47 H new ATOM 1481 N ASN A 96 -6.502 5.817 6.751 1.00 0.34 N ATOM 1482 CA ASN A 96 -6.049 4.436 6.891 1.00 0.34 C ATOM 1483 C ASN A 96 -6.925 3.468 6.100 1.00 0.34 C ATOM 1484 O ASN A 96 -8.149 3.583 6.093 1.00 0.38 O ATOM 1485 CB ASN A 96 -6.043 4.038 8.368 1.00 0.38 C ATOM 1486 CG ASN A 96 -5.425 5.105 9.250 1.00 1.12 C ATOM 1487 OD1 ASN A 96 -4.304 4.954 9.734 1.00 2.04 O ATOM 1488 ND2 ASN A 96 -6.157 6.193 9.464 1.00 1.12 N ATOM 0 H ASN A 96 -7.487 5.965 6.970 1.00 0.34 H new ATOM 0 HA ASN A 96 -5.038 4.377 6.487 1.00 0.34 H new ATOM 0 HB2 ASN A 96 -7.065 3.847 8.695 1.00 0.38 H new ATOM 0 HB3 ASN A 96 -5.491 3.106 8.488 1.00 0.38 H new ATOM 0 HD21 ASN A 96 -5.794 6.945 10.050 1.00 1.12 H new ATOM 0 HD22 ASN A 96 -7.082 6.276 9.042 1.00 1.12 H new ATOM 1495 N HIS A 97 -6.281 2.502 5.449 1.00 0.32 N ATOM 1496 CA HIS A 97 -6.985 1.490 4.666 1.00 0.34 C ATOM 1497 C HIS A 97 -6.404 0.106 4.939 1.00 0.33 C ATOM 1498 O HIS A 97 -5.186 -0.073 4.941 1.00 0.33 O ATOM 1499 CB HIS A 97 -6.903 1.813 3.172 1.00 0.36 C ATOM 1500 CG HIS A 97 -7.464 3.157 2.822 1.00 0.43 C ATOM 1501 ND1 HIS A 97 -6.904 4.341 3.250 1.00 1.25 N ATOM 1502 CD2 HIS A 97 -8.545 3.500 2.082 1.00 1.06 C ATOM 1503 CE1 HIS A 97 -7.614 5.355 2.789 1.00 1.06 C ATOM 1504 NE2 HIS A 97 -8.616 4.871 2.076 1.00 0.85 N ATOM 0 H HIS A 97 -5.266 2.399 5.449 1.00 0.32 H new ATOM 0 HA HIS A 97 -8.033 1.494 4.964 1.00 0.34 H new ATOM 0 HB2 HIS A 97 -5.861 1.769 2.855 1.00 0.36 H new ATOM 0 HB3 HIS A 97 -7.439 1.047 2.612 1.00 0.36 H new ATOM 0 HD2 HIS A 97 -9.225 2.821 1.588 1.00 1.06 H new ATOM 0 HE1 HIS A 97 -7.410 6.401 2.965 1.00 1.06 H new ATOM 0 HE2 HIS A 97 -9.327 5.426 1.599 1.00 0.85 H new ATOM 1513 N THR A 98 -7.273 -0.868 5.182 1.00 0.35 N ATOM 1514 CA THR A 98 -6.830 -2.227 5.467 1.00 0.35 C ATOM 1515 C THR A 98 -7.221 -3.199 4.359 1.00 0.35 C ATOM 1516 O THR A 98 -8.311 -3.109 3.792 1.00 0.36 O ATOM 1517 CB THR A 98 -7.409 -2.732 6.801 1.00 0.38 C ATOM 1518 OG1 THR A 98 -8.769 -3.147 6.621 1.00 1.33 O ATOM 1519 CG2 THR A 98 -7.339 -1.647 7.867 1.00 1.36 C ATOM 0 H THR A 98 -8.285 -0.743 5.187 1.00 0.35 H new ATOM 0 HA THR A 98 -5.743 -2.189 5.532 1.00 0.35 H new ATOM 0 HB THR A 98 -6.813 -3.582 7.132 1.00 0.38 H new ATOM 0 HG1 THR A 98 -9.129 -3.468 7.474 1.00 1.33 H new ATOM 0 HG21 THR A 98 -7.754 -2.027 8.801 1.00 1.36 H new ATOM 0 HG22 THR A 98 -6.300 -1.357 8.023 1.00 1.36 H new ATOM 0 HG23 THR A 98 -7.913 -0.780 7.541 1.00 1.36 H new ATOM 1527 N TYR A 99 -6.323 -4.136 4.062 1.00 0.39 N ATOM 1528 CA TYR A 99 -6.565 -5.141 3.030 1.00 0.42 C ATOM 1529 C TYR A 99 -6.106 -6.521 3.521 1.00 0.42 C ATOM 1530 O TYR A 99 -5.017 -6.667 4.075 1.00 0.45 O ATOM 1531 CB TYR A 99 -5.862 -4.731 1.728 1.00 0.53 C ATOM 1532 CG TYR A 99 -5.990 -3.255 1.424 1.00 0.57 C ATOM 1533 CD1 TYR A 99 -5.289 -2.316 2.168 1.00 0.85 C ATOM 1534 CD2 TYR A 99 -6.800 -2.800 0.392 1.00 0.73 C ATOM 1535 CE1 TYR A 99 -5.394 -0.966 1.896 1.00 0.96 C ATOM 1536 CE2 TYR A 99 -6.908 -1.449 0.115 1.00 0.81 C ATOM 1537 CZ TYR A 99 -6.246 -0.543 0.860 1.00 0.81 C ATOM 1538 OH TYR A 99 -6.310 0.805 0.594 1.00 0.96 O ATOM 0 H TYR A 99 -5.417 -4.220 4.524 1.00 0.39 H new ATOM 0 HA TYR A 99 -7.633 -5.206 2.823 1.00 0.42 H new ATOM 0 HB2 TYR A 99 -4.806 -4.992 1.795 1.00 0.53 H new ATOM 0 HB3 TYR A 99 -6.280 -5.304 0.900 1.00 0.53 H new ATOM 0 HD1 TYR A 99 -4.650 -2.647 2.974 1.00 0.85 H new ATOM 0 HD2 TYR A 99 -7.354 -3.511 -0.203 1.00 0.73 H new ATOM 0 HE1 TYR A 99 -4.830 -0.246 2.470 1.00 0.96 H new ATOM 0 HE2 TYR A 99 -7.528 -1.118 -0.705 1.00 0.81 H new ATOM 0 HH TYR A 99 -6.934 0.963 -0.145 1.00 0.96 H new ATOM 1548 N HIS A 100 -6.974 -7.518 3.349 1.00 0.41 N ATOM 1549 CA HIS A 100 -6.687 -8.882 3.817 1.00 0.44 C ATOM 1550 C HIS A 100 -6.163 -9.800 2.711 1.00 0.42 C ATOM 1551 O HIS A 100 -6.927 -10.315 1.900 1.00 0.45 O ATOM 1552 CB HIS A 100 -7.947 -9.498 4.430 1.00 0.53 C ATOM 1553 CG HIS A 100 -8.117 -9.196 5.886 1.00 0.82 C ATOM 1554 ND1 HIS A 100 -7.294 -8.333 6.579 1.00 1.39 N ATOM 1555 CD2 HIS A 100 -9.024 -9.648 6.782 1.00 1.62 C ATOM 1556 CE1 HIS A 100 -7.690 -8.266 7.838 1.00 1.53 C ATOM 1557 NE2 HIS A 100 -8.738 -9.056 7.987 1.00 1.70 N ATOM 0 H HIS A 100 -7.879 -7.412 2.891 1.00 0.41 H new ATOM 0 HA HIS A 100 -5.899 -8.795 4.565 1.00 0.44 H new ATOM 0 HB2 HIS A 100 -8.820 -9.133 3.888 1.00 0.53 H new ATOM 0 HB3 HIS A 100 -7.916 -10.579 4.293 1.00 0.53 H new ATOM 0 HD2 HIS A 100 -9.825 -10.345 6.586 1.00 1.62 H new ATOM 0 HE1 HIS A 100 -7.234 -7.667 8.613 1.00 1.53 H new ATOM 0 HE2 HIS A 100 -9.251 -9.202 8.856 1.00 1.70 H new ATOM 1566 N LEU A 101 -4.859 -10.054 2.719 1.00 0.44 N ATOM 1567 CA LEU A 101 -4.255 -10.950 1.738 1.00 0.45 C ATOM 1568 C LEU A 101 -4.054 -12.323 2.365 1.00 0.48 C ATOM 1569 O LEU A 101 -3.880 -12.431 3.578 1.00 0.53 O ATOM 1570 CB LEU A 101 -2.933 -10.377 1.210 1.00 0.51 C ATOM 1571 CG LEU A 101 -1.699 -10.650 2.070 1.00 1.07 C ATOM 1572 CD1 LEU A 101 -1.024 -11.942 1.637 1.00 1.90 C ATOM 1573 CD2 LEU A 101 -0.728 -9.482 1.991 1.00 1.63 C ATOM 0 H LEU A 101 -4.202 -9.655 3.390 1.00 0.44 H new ATOM 0 HA LEU A 101 -4.924 -11.049 0.884 1.00 0.45 H new ATOM 0 HB2 LEU A 101 -2.755 -10.782 0.214 1.00 0.51 H new ATOM 0 HB3 LEU A 101 -3.045 -9.298 1.100 1.00 0.51 H new ATOM 0 HG LEU A 101 -2.016 -10.762 3.107 1.00 1.07 H new ATOM 0 HD11 LEU A 101 -0.147 -12.121 2.260 1.00 1.90 H new ATOM 0 HD12 LEU A 101 -1.722 -12.772 1.746 1.00 1.90 H new ATOM 0 HD13 LEU A 101 -0.718 -11.861 0.594 1.00 1.90 H new ATOM 0 HD21 LEU A 101 0.145 -9.692 2.609 1.00 1.63 H new ATOM 0 HD22 LEU A 101 -0.415 -9.339 0.957 1.00 1.63 H new ATOM 0 HD23 LEU A 101 -1.218 -8.577 2.351 1.00 1.63 H new ATOM 1585 N ASP A 102 -4.074 -13.377 1.553 1.00 0.50 N ATOM 1586 CA ASP A 102 -3.889 -14.725 2.077 1.00 0.57 C ATOM 1587 C ASP A 102 -2.665 -15.388 1.452 1.00 0.54 C ATOM 1588 O ASP A 102 -2.596 -15.565 0.236 1.00 0.53 O ATOM 1589 CB ASP A 102 -5.134 -15.573 1.813 1.00 0.65 C ATOM 1590 CG ASP A 102 -5.449 -16.511 2.961 1.00 1.31 C ATOM 1591 OD1 ASP A 102 -6.150 -16.083 3.902 1.00 1.38 O ATOM 1592 OD2 ASP A 102 -4.994 -17.673 2.920 1.00 2.34 O ATOM 0 H ASP A 102 -4.214 -13.325 0.544 1.00 0.50 H new ATOM 0 HA ASP A 102 -3.730 -14.651 3.153 1.00 0.57 H new ATOM 0 HB2 ASP A 102 -5.987 -14.917 1.639 1.00 0.65 H new ATOM 0 HB3 ASP A 102 -4.988 -16.154 0.902 1.00 0.65 H new ATOM 1597 N VAL A 103 -1.702 -15.749 2.292 1.00 0.63 N ATOM 1598 CA VAL A 103 -0.481 -16.392 1.824 1.00 0.68 C ATOM 1599 C VAL A 103 -0.660 -17.902 1.707 1.00 0.66 C ATOM 1600 O VAL A 103 -0.974 -18.577 2.687 1.00 0.75 O ATOM 1601 CB VAL A 103 0.703 -16.099 2.763 1.00 0.89 C ATOM 1602 CG1 VAL A 103 0.392 -16.569 4.176 1.00 1.56 C ATOM 1603 CG2 VAL A 103 1.972 -16.754 2.242 1.00 1.60 C ATOM 0 H VAL A 103 -1.744 -15.607 3.301 1.00 0.63 H new ATOM 0 HA VAL A 103 -0.266 -15.979 0.839 1.00 0.68 H new ATOM 0 HB VAL A 103 0.864 -15.021 2.791 1.00 0.89 H new ATOM 0 HG11 VAL A 103 1.240 -16.354 4.826 1.00 1.56 H new ATOM 0 HG12 VAL A 103 -0.491 -16.048 4.547 1.00 1.56 H new ATOM 0 HG13 VAL A 103 0.203 -17.643 4.169 1.00 1.56 H new ATOM 0 HG21 VAL A 103 2.798 -16.536 2.919 1.00 1.60 H new ATOM 0 HG22 VAL A 103 1.827 -17.833 2.183 1.00 1.60 H new ATOM 0 HG23 VAL A 103 2.202 -16.364 1.251 1.00 1.60 H new ATOM 1613 N VAL A 104 -0.456 -18.425 0.503 1.00 0.66 N ATOM 1614 CA VAL A 104 -0.591 -19.855 0.257 1.00 0.73 C ATOM 1615 C VAL A 104 0.647 -20.412 -0.436 1.00 0.83 C ATOM 1616 O VAL A 104 1.030 -19.951 -1.511 1.00 0.84 O ATOM 1617 CB VAL A 104 -1.831 -20.164 -0.603 1.00 0.86 C ATOM 1618 CG1 VAL A 104 -2.139 -21.652 -0.582 1.00 1.44 C ATOM 1619 CG2 VAL A 104 -3.029 -19.354 -0.127 1.00 1.27 C ATOM 0 H VAL A 104 -0.196 -17.879 -0.318 1.00 0.66 H new ATOM 0 HA VAL A 104 -0.706 -20.333 1.230 1.00 0.73 H new ATOM 0 HB VAL A 104 -1.616 -19.877 -1.632 1.00 0.86 H new ATOM 0 HG11 VAL A 104 -3.018 -21.850 -1.195 1.00 1.44 H new ATOM 0 HG12 VAL A 104 -1.288 -22.205 -0.978 1.00 1.44 H new ATOM 0 HG13 VAL A 104 -2.332 -21.969 0.443 1.00 1.44 H new ATOM 0 HG21 VAL A 104 -3.895 -19.586 -0.747 1.00 1.27 H new ATOM 0 HG22 VAL A 104 -3.248 -19.604 0.911 1.00 1.27 H new ATOM 0 HG23 VAL A 104 -2.803 -18.290 -0.204 1.00 1.27 H new