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 HE2:sc= -0.284 X(o=-2.7,f=-2.8) USER MOD Set 1.2: A 99 TYR OH : rot -166:sc= -2.41! USER MOD Set 2.1: A 75 SER OG : rot 51:sc= 1.21 USER MOD Set 2.2: A 84 TYR OH : rot 152:sc= -0.0155 USER MOD Set 3.1: A 12 THR OG1 : rot 180:sc= -0.124 USER MOD Set 3.2: A 13 ASN : amide:sc= -0.738 K(o=-0.86,f=-4.9!) USER MOD Single : A 5 ASN : amide:sc= -0.231 X(o=-0.23,f=-0.28) 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 14 THR OG1 : rot 83:sc= 1.51 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -151:sc= -0.247 (180deg=-0.96) USER MOD Single : A 19 LYS NZ :NH3+ -161:sc= -1.78! (180deg=-2.48!) USER MOD Single : A 28 ASN : amide:sc= -1.07 X(o=-1.1,f=-1) USER MOD Single : A 29 THR OG1 : rot 53:sc= 1.23 USER MOD Single : A 31 LYS NZ :NH3+ 143:sc= -1.98! (180deg=-3.99!) USER MOD Single : A 39 ASN : amide:sc= -8.4! C(o=-8.4!,f=-10!) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 47:sc= 1.05 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -145:sc= -0.0568 (180deg=-1.76!) USER MOD Single : A 49 ASN : amide:sc= -0.0227 X(o=-0.023,f=-0.49) USER MOD Single : A 51 LYS NZ :NH3+ -122:sc= 0.136 (180deg=-0.0861) 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= -0.332 K(o=-0.33,f=-1) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 68 HIS : no HD1:sc= -1 X(o=-1,f=-1.2) USER MOD Single : A 70 SER OG : rot 180:sc= -0.0782 USER MOD Single : A 73 MET CE :methyl -138:sc= -4.54! (180deg=-7.84!) USER MOD Single : A 79 SER OG : rot 180:sc= -0.012 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.152 K(o=-0.15,f=-0.87) USER MOD Single : A 85 THR OG1 : rot 41:sc= -1.01 USER MOD Single : A 90 ASN : amide:sc= -8.87! C(o=-8.9!,f=-19!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.687 K(o=-0.69,f=-0.029) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N ASN A 5 -0.038 21.661 -3.130 1.00 0.76 N ATOM 16 CA ASN A 5 0.778 21.187 -2.019 1.00 0.53 C ATOM 17 C ASN A 5 0.260 19.831 -1.508 1.00 0.49 C ATOM 18 O ASN A 5 -0.027 18.942 -2.307 1.00 0.60 O ATOM 19 CB ASN A 5 0.780 22.243 -0.907 1.00 0.52 C ATOM 20 CG ASN A 5 1.273 23.593 -1.386 1.00 0.63 C ATOM 21 OD1 ASN A 5 1.603 23.767 -2.559 1.00 1.19 O ATOM 22 ND2 ASN A 5 1.325 24.559 -0.477 1.00 1.41 N ATOM 0 HA ASN A 5 1.803 21.035 -2.357 1.00 0.53 H new ATOM 0 HB2 ASN A 5 -0.230 22.349 -0.510 1.00 0.52 H new ATOM 0 HB3 ASN A 5 1.411 21.900 -0.087 1.00 0.52 H new ATOM 0 HD21 ASN A 5 1.648 25.490 -0.740 1.00 1.41 H new ATOM 0 HD22 ASN A 5 1.042 24.370 0.484 1.00 1.41 H new ATOM 29 N LYS A 6 0.139 19.666 -0.187 1.00 0.45 N ATOM 30 CA LYS A 6 -0.343 18.420 0.382 1.00 0.49 C ATOM 31 C LYS A 6 -1.838 18.500 0.656 1.00 0.49 C ATOM 32 O LYS A 6 -2.288 19.322 1.454 1.00 0.56 O ATOM 33 CB LYS A 6 0.403 18.126 1.678 1.00 0.64 C ATOM 34 CG LYS A 6 1.858 17.761 1.462 1.00 1.28 C ATOM 35 CD LYS A 6 2.669 18.970 1.020 1.00 1.76 C ATOM 36 CE LYS A 6 4.026 19.013 1.705 1.00 2.52 C ATOM 37 NZ LYS A 6 4.697 20.330 1.527 1.00 3.06 N ATOM 0 H LYS A 6 0.370 20.383 0.501 1.00 0.45 H new ATOM 0 HA LYS A 6 -0.163 17.617 -0.333 1.00 0.49 H new ATOM 0 HB2 LYS A 6 0.347 19.000 2.328 1.00 0.64 H new ATOM 0 HB3 LYS A 6 -0.096 17.309 2.199 1.00 0.64 H new ATOM 0 HG2 LYS A 6 2.275 17.358 2.385 1.00 1.28 H new ATOM 0 HG3 LYS A 6 1.931 16.976 0.709 1.00 1.28 H new ATOM 0 HD2 LYS A 6 2.807 18.941 -0.061 1.00 1.76 H new ATOM 0 HD3 LYS A 6 2.117 19.882 1.247 1.00 1.76 H new ATOM 0 HE2 LYS A 6 3.902 18.810 2.769 1.00 2.52 H new ATOM 0 HE3 LYS A 6 4.661 18.225 1.302 1.00 2.52 H new ATOM 0 HZ1 LYS A 6 5.619 20.318 2.009 1.00 3.06 H new ATOM 0 HZ2 LYS A 6 4.839 20.513 0.513 1.00 3.06 H new ATOM 0 HZ3 LYS A 6 4.103 21.080 1.935 1.00 3.06 H new ATOM 51 N ARG A 7 -2.604 17.646 -0.006 1.00 0.50 N ATOM 52 CA ARG A 7 -4.046 17.631 0.176 1.00 0.52 C ATOM 53 C ARG A 7 -4.594 16.214 0.059 1.00 0.47 C ATOM 54 O ARG A 7 -4.416 15.544 -0.967 1.00 0.43 O ATOM 55 CB ARG A 7 -4.713 18.544 -0.845 1.00 0.57 C ATOM 56 CG ARG A 7 -4.705 20.009 -0.438 1.00 0.77 C ATOM 57 CD ARG A 7 -3.411 20.692 -0.849 1.00 0.64 C ATOM 58 NE ARG A 7 -3.658 21.896 -1.636 1.00 0.98 N ATOM 59 CZ ARG A 7 -4.244 22.984 -1.150 1.00 1.66 C ATOM 60 NH1 ARG A 7 -4.643 23.017 0.115 1.00 2.46 N ATOM 61 NH2 ARG A 7 -4.435 24.040 -1.927 1.00 2.11 N ATOM 0 H ARG A 7 -2.252 16.957 -0.671 1.00 0.50 H new ATOM 0 HA ARG A 7 -4.269 17.999 1.177 1.00 0.52 H new ATOM 0 HB2 ARG A 7 -4.205 18.438 -1.804 1.00 0.57 H new ATOM 0 HB3 ARG A 7 -5.743 18.221 -0.993 1.00 0.57 H new ATOM 0 HG2 ARG A 7 -5.550 20.521 -0.898 1.00 0.77 H new ATOM 0 HG3 ARG A 7 -4.833 20.089 0.641 1.00 0.77 H new ATOM 0 HD2 ARG A 7 -2.839 20.951 0.042 1.00 0.64 H new ATOM 0 HD3 ARG A 7 -2.802 19.998 -1.428 1.00 0.64 H new ATOM 0 HE ARG A 7 -3.364 21.902 -2.613 1.00 0.98 H new ATOM 0 HH11 ARG A 7 -4.500 22.206 0.716 1.00 2.46 H new ATOM 0 HH12 ARG A 7 -5.093 23.854 0.486 1.00 2.46 H new ATOM 0 HH21 ARG A 7 -4.132 24.018 -2.901 1.00 2.11 H new ATOM 0 HH22 ARG A 7 -4.885 24.875 -1.552 1.00 2.11 H new ATOM 75 N ALA A 8 -5.259 15.772 1.128 1.00 0.50 N ATOM 76 CA ALA A 8 -5.848 14.436 1.201 1.00 0.47 C ATOM 77 C ALA A 8 -6.432 13.988 -0.139 1.00 0.44 C ATOM 78 O ALA A 8 -7.251 14.690 -0.731 1.00 0.56 O ATOM 79 CB ALA A 8 -6.927 14.404 2.274 1.00 0.54 C ATOM 0 H ALA A 8 -5.404 16.332 1.968 1.00 0.50 H new ATOM 0 HA ALA A 8 -5.050 13.740 1.458 1.00 0.47 H new ATOM 0 HB1 ALA A 8 -7.362 13.406 2.323 1.00 0.54 H new ATOM 0 HB2 ALA A 8 -6.488 14.656 3.239 1.00 0.54 H new ATOM 0 HB3 ALA A 8 -7.705 15.127 2.029 1.00 0.54 H new ATOM 85 N PRO A 9 -6.019 12.809 -0.635 1.00 0.36 N ATOM 86 CA PRO A 9 -6.504 12.276 -1.897 1.00 0.37 C ATOM 87 C PRO A 9 -7.748 11.413 -1.723 1.00 0.37 C ATOM 88 O PRO A 9 -7.836 10.612 -0.793 1.00 0.40 O ATOM 89 CB PRO A 9 -5.324 11.433 -2.380 1.00 0.39 C ATOM 90 CG PRO A 9 -4.631 10.973 -1.132 1.00 0.51 C ATOM 91 CD PRO A 9 -5.047 11.899 -0.010 1.00 0.41 C ATOM 0 HA PRO A 9 -6.806 13.059 -2.592 1.00 0.37 H new ATOM 0 HB2 PRO A 9 -5.663 10.586 -2.977 1.00 0.39 H new ATOM 0 HB3 PRO A 9 -4.654 12.018 -3.009 1.00 0.39 H new ATOM 0 HG2 PRO A 9 -4.904 9.944 -0.900 1.00 0.51 H new ATOM 0 HG3 PRO A 9 -3.549 10.994 -1.265 1.00 0.51 H new ATOM 0 HD2 PRO A 9 -5.493 11.347 0.817 1.00 0.41 H new ATOM 0 HD3 PRO A 9 -4.194 12.444 0.394 1.00 0.41 H new ATOM 99 N TYR A 10 -8.706 11.581 -2.629 1.00 0.38 N ATOM 100 CA TYR A 10 -9.942 10.814 -2.581 1.00 0.41 C ATOM 101 C TYR A 10 -9.743 9.452 -3.232 1.00 0.38 C ATOM 102 O TYR A 10 -9.159 9.348 -4.311 1.00 0.44 O ATOM 103 CB TYR A 10 -11.074 11.572 -3.280 1.00 0.49 C ATOM 104 CG TYR A 10 -10.666 12.216 -4.587 1.00 1.15 C ATOM 105 CD1 TYR A 10 -10.651 11.488 -5.769 1.00 1.90 C ATOM 106 CD2 TYR A 10 -10.298 13.555 -4.637 1.00 2.02 C ATOM 107 CE1 TYR A 10 -10.281 12.075 -6.965 1.00 2.78 C ATOM 108 CE2 TYR A 10 -9.926 14.150 -5.829 1.00 2.96 C ATOM 109 CZ TYR A 10 -9.922 13.405 -6.989 1.00 3.18 C ATOM 110 OH TYR A 10 -9.554 13.995 -8.177 1.00 4.20 O ATOM 0 H TYR A 10 -8.649 12.241 -3.404 1.00 0.38 H new ATOM 0 HA TYR A 10 -10.216 10.669 -1.536 1.00 0.41 H new ATOM 0 HB2 TYR A 10 -11.898 10.883 -3.467 1.00 0.49 H new ATOM 0 HB3 TYR A 10 -11.450 12.343 -2.608 1.00 0.49 H new ATOM 0 HD1 TYR A 10 -10.933 10.446 -5.754 1.00 1.90 H new ATOM 0 HD2 TYR A 10 -10.303 14.141 -3.730 1.00 2.02 H new ATOM 0 HE1 TYR A 10 -10.273 11.494 -7.875 1.00 2.78 H new ATOM 0 HE2 TYR A 10 -9.641 15.191 -5.851 1.00 2.96 H new ATOM 0 HH TYR A 10 -9.332 14.936 -8.020 1.00 4.20 H new ATOM 120 N TRP A 11 -10.225 8.409 -2.568 1.00 0.47 N ATOM 121 CA TRP A 11 -10.095 7.054 -3.080 1.00 0.49 C ATOM 122 C TRP A 11 -10.759 6.916 -4.445 1.00 0.42 C ATOM 123 O TRP A 11 -11.935 7.236 -4.611 1.00 0.45 O ATOM 124 CB TRP A 11 -10.707 6.054 -2.098 1.00 0.60 C ATOM 125 CG TRP A 11 -12.190 6.193 -1.955 1.00 0.83 C ATOM 126 CD1 TRP A 11 -12.860 6.853 -0.964 1.00 1.71 C ATOM 127 CD2 TRP A 11 -13.190 5.656 -2.828 1.00 1.65 C ATOM 128 NE1 TRP A 11 -14.215 6.760 -1.169 1.00 2.26 N ATOM 129 CE2 TRP A 11 -14.443 6.031 -2.308 1.00 2.17 C ATOM 130 CE3 TRP A 11 -13.147 4.897 -4.001 1.00 2.60 C ATOM 131 CZ2 TRP A 11 -15.639 5.671 -2.920 1.00 3.03 C ATOM 132 CZ3 TRP A 11 -14.336 4.541 -4.607 1.00 3.54 C ATOM 133 CH2 TRP A 11 -15.569 4.928 -4.065 1.00 3.60 C ATOM 0 H TRP A 11 -10.710 8.477 -1.673 1.00 0.47 H new ATOM 0 HA TRP A 11 -9.032 6.839 -3.193 1.00 0.49 H new ATOM 0 HB2 TRP A 11 -10.475 5.042 -2.430 1.00 0.60 H new ATOM 0 HB3 TRP A 11 -10.241 6.184 -1.121 1.00 0.60 H new ATOM 0 HD1 TRP A 11 -12.393 7.372 -0.140 1.00 1.71 H new ATOM 0 HE1 TRP A 11 -14.934 7.167 -0.571 1.00 2.26 H new ATOM 0 HE3 TRP A 11 -12.201 4.594 -4.426 1.00 2.60 H new ATOM 0 HZ2 TRP A 11 -16.591 5.968 -2.505 1.00 3.03 H new ATOM 0 HZ3 TRP A 11 -14.315 3.955 -5.514 1.00 3.54 H new ATOM 0 HH2 TRP A 11 -16.482 4.633 -4.562 1.00 3.60 H new ATOM 144 N THR A 12 -9.998 6.424 -5.417 1.00 0.45 N ATOM 145 CA THR A 12 -10.512 6.228 -6.766 1.00 0.50 C ATOM 146 C THR A 12 -10.967 4.787 -6.944 1.00 0.55 C ATOM 147 O THR A 12 -12.148 4.478 -6.783 1.00 0.64 O ATOM 148 CB THR A 12 -9.450 6.560 -7.832 1.00 0.61 C ATOM 149 OG1 THR A 12 -8.137 6.353 -7.298 1.00 1.28 O ATOM 150 CG2 THR A 12 -9.588 7.997 -8.306 1.00 1.23 C ATOM 0 H THR A 12 -9.022 6.154 -5.295 1.00 0.45 H new ATOM 0 HA THR A 12 -11.355 6.906 -6.899 1.00 0.50 H new ATOM 0 HB THR A 12 -9.605 5.897 -8.683 1.00 0.61 H new ATOM 0 HG1 THR A 12 -7.468 6.565 -7.982 1.00 1.28 H new ATOM 0 HG21 THR A 12 -8.827 8.207 -9.058 1.00 1.23 H new ATOM 0 HG22 THR A 12 -10.577 8.144 -8.740 1.00 1.23 H new ATOM 0 HG23 THR A 12 -9.459 8.673 -7.461 1.00 1.23 H new ATOM 158 N ASN A 13 -10.027 3.904 -7.255 1.00 0.56 N ATOM 159 CA ASN A 13 -10.343 2.494 -7.427 1.00 0.66 C ATOM 160 C ASN A 13 -10.399 1.807 -6.069 1.00 0.63 C ATOM 161 O ASN A 13 -9.465 1.910 -5.275 1.00 0.58 O ATOM 162 CB ASN A 13 -9.297 1.812 -8.308 1.00 0.73 C ATOM 163 CG ASN A 13 -9.033 2.580 -9.589 1.00 1.35 C ATOM 164 OD1 ASN A 13 -8.732 3.774 -9.559 1.00 2.05 O ATOM 165 ND2 ASN A 13 -9.145 1.899 -10.723 1.00 1.96 N ATOM 0 H ASN A 13 -9.044 4.139 -7.393 1.00 0.56 H new ATOM 0 HA ASN A 13 -11.315 2.414 -7.914 1.00 0.66 H new ATOM 0 HB2 ASN A 13 -8.366 1.710 -7.750 1.00 0.73 H new ATOM 0 HB3 ASN A 13 -9.633 0.805 -8.554 1.00 0.73 H new ATOM 0 HD21 ASN A 13 -8.979 2.364 -11.616 1.00 1.96 H new ATOM 0 HD22 ASN A 13 -9.397 0.911 -10.702 1.00 1.96 H new ATOM 172 N THR A 14 -11.492 1.107 -5.804 1.00 0.74 N ATOM 173 CA THR A 14 -11.647 0.413 -4.536 1.00 0.78 C ATOM 174 C THR A 14 -10.607 -0.689 -4.405 1.00 0.76 C ATOM 175 O THR A 14 -10.439 -1.510 -5.309 1.00 0.78 O ATOM 176 CB THR A 14 -13.055 -0.194 -4.388 1.00 0.92 C ATOM 177 OG1 THR A 14 -13.891 0.228 -5.472 1.00 1.06 O ATOM 178 CG2 THR A 14 -13.685 0.221 -3.065 1.00 1.15 C ATOM 0 H THR A 14 -12.279 1.005 -6.445 1.00 0.74 H new ATOM 0 HA THR A 14 -11.505 1.149 -3.744 1.00 0.78 H new ATOM 0 HB THR A 14 -12.961 -1.280 -4.406 1.00 0.92 H new ATOM 0 HG1 THR A 14 -13.732 -0.346 -6.250 1.00 1.06 H new ATOM 0 HG21 THR A 14 -14.679 -0.219 -2.981 1.00 1.15 H new ATOM 0 HG22 THR A 14 -13.063 -0.128 -2.241 1.00 1.15 H new ATOM 0 HG23 THR A 14 -13.764 1.307 -3.025 1.00 1.15 H new ATOM 186 N GLU A 15 -9.933 -0.733 -3.263 1.00 0.76 N ATOM 187 CA GLU A 15 -8.936 -1.757 -3.005 1.00 0.77 C ATOM 188 C GLU A 15 -9.611 -3.074 -2.629 1.00 0.82 C ATOM 189 O GLU A 15 -9.002 -4.142 -2.691 1.00 0.82 O ATOM 190 CB GLU A 15 -8.013 -1.281 -1.885 1.00 0.79 C ATOM 191 CG GLU A 15 -7.258 -0.017 -2.248 1.00 1.35 C ATOM 192 CD GLU A 15 -6.478 0.558 -1.085 1.00 1.75 C ATOM 193 OE1 GLU A 15 -5.496 -0.084 -0.657 1.00 2.50 O ATOM 194 OE2 GLU A 15 -6.844 1.651 -0.605 1.00 2.06 O ATOM 0 H GLU A 15 -10.061 -0.068 -2.500 1.00 0.76 H new ATOM 0 HA GLU A 15 -8.347 -1.930 -3.906 1.00 0.77 H new ATOM 0 HB2 GLU A 15 -8.602 -1.102 -0.985 1.00 0.79 H new ATOM 0 HB3 GLU A 15 -7.300 -2.070 -1.647 1.00 0.79 H new ATOM 0 HG2 GLU A 15 -6.573 -0.232 -3.068 1.00 1.35 H new ATOM 0 HG3 GLU A 15 -7.964 0.730 -2.610 1.00 1.35 H new ATOM 201 N LYS A 16 -10.891 -2.985 -2.272 1.00 0.88 N ATOM 202 CA LYS A 16 -11.672 -4.155 -1.921 1.00 0.95 C ATOM 203 C LYS A 16 -11.943 -5.007 -3.161 1.00 0.98 C ATOM 204 O LYS A 16 -12.402 -6.143 -3.050 1.00 1.01 O ATOM 205 CB LYS A 16 -12.993 -3.732 -1.285 1.00 1.04 C ATOM 206 CG LYS A 16 -13.935 -3.063 -2.269 1.00 1.44 C ATOM 207 CD LYS A 16 -15.288 -3.753 -2.303 1.00 1.61 C ATOM 208 CE LYS A 16 -15.447 -4.613 -3.547 1.00 2.37 C ATOM 209 NZ LYS A 16 -16.404 -5.732 -3.331 1.00 2.83 N ATOM 0 H LYS A 16 -11.406 -2.106 -2.220 1.00 0.88 H new ATOM 0 HA LYS A 16 -11.104 -4.748 -1.204 1.00 0.95 H new ATOM 0 HB2 LYS A 16 -13.482 -4.608 -0.860 1.00 1.04 H new ATOM 0 HB3 LYS A 16 -12.791 -3.048 -0.461 1.00 1.04 H new ATOM 0 HG2 LYS A 16 -14.066 -2.016 -1.994 1.00 1.44 H new ATOM 0 HG3 LYS A 16 -13.493 -3.078 -3.265 1.00 1.44 H new ATOM 0 HD2 LYS A 16 -15.403 -4.373 -1.414 1.00 1.61 H new ATOM 0 HD3 LYS A 16 -16.080 -3.004 -2.274 1.00 1.61 H new ATOM 0 HE2 LYS A 16 -15.794 -3.994 -4.374 1.00 2.37 H new ATOM 0 HE3 LYS A 16 -14.476 -5.016 -3.836 1.00 2.37 H new ATOM 0 HZ1 LYS A 16 -16.484 -6.294 -4.203 1.00 2.83 H new ATOM 0 HZ2 LYS A 16 -16.061 -6.338 -2.559 1.00 2.83 H new ATOM 0 HZ3 LYS A 16 -17.337 -5.347 -3.081 1.00 2.83 H new ATOM 223 N MET A 17 -11.669 -4.452 -4.346 1.00 0.98 N ATOM 224 CA MET A 17 -11.898 -5.173 -5.592 1.00 1.04 C ATOM 225 C MET A 17 -10.624 -5.255 -6.425 1.00 1.03 C ATOM 226 O MET A 17 -10.686 -5.354 -7.651 1.00 1.17 O ATOM 227 CB MET A 17 -13.008 -4.500 -6.414 1.00 1.21 C ATOM 228 CG MET A 17 -13.214 -3.024 -6.099 1.00 1.44 C ATOM 229 SD MET A 17 -13.993 -2.127 -7.455 1.00 1.83 S ATOM 230 CE MET A 17 -12.714 -2.223 -8.705 1.00 2.16 C ATOM 0 H MET A 17 -11.291 -3.512 -4.464 1.00 0.98 H new ATOM 0 HA MET A 17 -12.209 -6.185 -5.331 1.00 1.04 H new ATOM 0 HB2 MET A 17 -12.773 -4.604 -7.473 1.00 1.21 H new ATOM 0 HB3 MET A 17 -13.944 -5.031 -6.241 1.00 1.21 H new ATOM 0 HG2 MET A 17 -13.830 -2.930 -5.205 1.00 1.44 H new ATOM 0 HG3 MET A 17 -12.251 -2.567 -5.872 1.00 1.44 H new ATOM 0 HE1 MET A 17 -12.777 -1.352 -9.358 1.00 2.16 H new ATOM 0 HE2 MET A 17 -11.736 -2.246 -8.224 1.00 2.16 H new ATOM 0 HE3 MET A 17 -12.849 -3.129 -9.295 1.00 2.16 H new ATOM 240 N GLU A 18 -9.467 -5.211 -5.768 1.00 0.95 N ATOM 241 CA GLU A 18 -8.201 -5.279 -6.493 1.00 1.06 C ATOM 242 C GLU A 18 -6.996 -5.492 -5.575 1.00 0.96 C ATOM 243 O GLU A 18 -6.015 -6.113 -5.982 1.00 1.57 O ATOM 244 CB GLU A 18 -8.001 -4.004 -7.312 1.00 1.43 C ATOM 245 CG GLU A 18 -6.865 -4.103 -8.317 1.00 1.29 C ATOM 246 CD GLU A 18 -7.277 -4.809 -9.595 1.00 2.13 C ATOM 247 OE1 GLU A 18 -8.155 -5.693 -9.526 1.00 2.88 O ATOM 248 OE2 GLU A 18 -6.722 -4.476 -10.663 1.00 2.56 O ATOM 0 H GLU A 18 -9.379 -5.130 -4.755 1.00 0.95 H new ATOM 0 HA GLU A 18 -8.262 -6.147 -7.149 1.00 1.06 H new ATOM 0 HB2 GLU A 18 -8.925 -3.773 -7.841 1.00 1.43 H new ATOM 0 HB3 GLU A 18 -7.805 -3.173 -6.634 1.00 1.43 H new ATOM 0 HG2 GLU A 18 -6.510 -3.101 -8.558 1.00 1.29 H new ATOM 0 HG3 GLU A 18 -6.030 -4.637 -7.864 1.00 1.29 H new ATOM 255 N LYS A 19 -7.050 -4.978 -4.350 1.00 0.84 N ATOM 256 CA LYS A 19 -5.931 -5.128 -3.426 1.00 1.08 C ATOM 257 C LYS A 19 -6.177 -6.264 -2.425 1.00 0.87 C ATOM 258 O LYS A 19 -5.243 -6.967 -2.040 1.00 0.87 O ATOM 259 CB LYS A 19 -5.659 -3.779 -2.719 1.00 1.66 C ATOM 260 CG LYS A 19 -5.546 -3.830 -1.195 1.00 2.57 C ATOM 261 CD LYS A 19 -4.366 -4.683 -0.755 1.00 2.87 C ATOM 262 CE LYS A 19 -3.545 -3.988 0.321 1.00 3.55 C ATOM 263 NZ LYS A 19 -2.103 -4.346 0.236 1.00 4.14 N ATOM 0 H LYS A 19 -7.846 -4.460 -3.977 1.00 0.84 H new ATOM 0 HA LYS A 19 -5.041 -5.405 -3.990 1.00 1.08 H new ATOM 0 HB2 LYS A 19 -4.734 -3.363 -3.118 1.00 1.66 H new ATOM 0 HB3 LYS A 19 -6.459 -3.087 -2.981 1.00 1.66 H new ATOM 0 HG2 LYS A 19 -5.433 -2.819 -0.803 1.00 2.57 H new ATOM 0 HG3 LYS A 19 -6.466 -4.234 -0.774 1.00 2.57 H new ATOM 0 HD2 LYS A 19 -4.728 -5.639 -0.377 1.00 2.87 H new ATOM 0 HD3 LYS A 19 -3.732 -4.900 -1.615 1.00 2.87 H new ATOM 0 HE2 LYS A 19 -3.657 -2.908 0.223 1.00 3.55 H new ATOM 0 HE3 LYS A 19 -3.929 -4.261 1.304 1.00 3.55 H new ATOM 0 HZ1 LYS A 19 -1.638 -4.130 1.141 1.00 4.14 H new ATOM 0 HZ2 LYS A 19 -2.009 -5.361 0.032 1.00 4.14 H new ATOM 0 HZ3 LYS A 19 -1.653 -3.797 -0.524 1.00 4.14 H new ATOM 277 N ARG A 20 -7.426 -6.434 -1.994 1.00 0.98 N ATOM 278 CA ARG A 20 -7.752 -7.483 -1.030 1.00 0.92 C ATOM 279 C ARG A 20 -7.611 -8.865 -1.655 1.00 0.94 C ATOM 280 O ARG A 20 -8.588 -9.604 -1.786 1.00 1.30 O ATOM 281 CB ARG A 20 -9.169 -7.305 -0.486 1.00 0.95 C ATOM 282 CG ARG A 20 -10.252 -7.473 -1.540 1.00 1.64 C ATOM 283 CD ARG A 20 -11.390 -8.346 -1.037 1.00 2.15 C ATOM 284 NE ARG A 20 -12.432 -8.515 -2.045 1.00 2.67 N ATOM 285 CZ ARG A 20 -13.683 -8.861 -1.763 1.00 3.29 C ATOM 286 NH1 ARG A 20 -14.047 -9.073 -0.505 1.00 3.51 N ATOM 287 NH2 ARG A 20 -14.572 -8.994 -2.738 1.00 4.11 N ATOM 0 H ARG A 20 -8.219 -5.867 -2.292 1.00 0.98 H new ATOM 0 HA ARG A 20 -7.045 -7.399 -0.205 1.00 0.92 H new ATOM 0 HB2 ARG A 20 -9.336 -8.028 0.313 1.00 0.95 H new ATOM 0 HB3 ARG A 20 -9.257 -6.313 -0.042 1.00 0.95 H new ATOM 0 HG2 ARG A 20 -10.641 -6.495 -1.823 1.00 1.64 H new ATOM 0 HG3 ARG A 20 -9.821 -7.917 -2.438 1.00 1.64 H new ATOM 0 HD2 ARG A 20 -10.999 -9.323 -0.751 1.00 2.15 H new ATOM 0 HD3 ARG A 20 -11.821 -7.900 -0.141 1.00 2.15 H new ATOM 0 HE ARG A 20 -12.185 -8.358 -3.022 1.00 2.67 H new ATOM 0 HH11 ARG A 20 -13.366 -8.970 0.247 1.00 3.51 H new ATOM 0 HH12 ARG A 20 -15.008 -9.339 -0.290 1.00 3.51 H new ATOM 0 HH21 ARG A 20 -14.295 -8.831 -3.706 1.00 4.11 H new ATOM 0 HH22 ARG A 20 -15.532 -9.260 -2.520 1.00 4.11 H new ATOM 348 N VAL A 24 -2.391 -15.370 -2.297 1.00 0.78 N ATOM 349 CA VAL A 24 -1.052 -14.850 -2.550 1.00 0.74 C ATOM 350 C VAL A 24 -0.014 -15.973 -2.529 1.00 0.68 C ATOM 351 O VAL A 24 -0.009 -16.803 -1.622 1.00 0.77 O ATOM 352 CB VAL A 24 -0.656 -13.786 -1.509 1.00 0.81 C ATOM 353 CG1 VAL A 24 0.546 -12.990 -1.992 1.00 1.32 C ATOM 354 CG2 VAL A 24 -1.831 -12.867 -1.212 1.00 1.30 C ATOM 0 HA VAL A 24 -1.072 -14.392 -3.539 1.00 0.74 H new ATOM 0 HB VAL A 24 -0.379 -14.292 -0.584 1.00 0.81 H new ATOM 0 HG11 VAL A 24 0.812 -12.243 -1.244 1.00 1.32 H new ATOM 0 HG12 VAL A 24 1.389 -13.663 -2.148 1.00 1.32 H new ATOM 0 HG13 VAL A 24 0.300 -12.493 -2.930 1.00 1.32 H new ATOM 0 HG21 VAL A 24 -1.533 -12.122 -0.475 1.00 1.30 H new ATOM 0 HG22 VAL A 24 -2.142 -12.366 -2.129 1.00 1.30 H new ATOM 0 HG23 VAL A 24 -2.662 -13.454 -0.819 1.00 1.30 H new ATOM 364 N PRO A 25 0.882 -16.013 -3.532 1.00 0.61 N ATOM 365 CA PRO A 25 1.923 -17.043 -3.614 1.00 0.63 C ATOM 366 C PRO A 25 3.018 -16.848 -2.571 1.00 0.57 C ATOM 367 O PRO A 25 3.485 -15.731 -2.348 1.00 0.52 O ATOM 368 CB PRO A 25 2.489 -16.858 -5.023 1.00 0.72 C ATOM 369 CG PRO A 25 2.240 -15.425 -5.344 1.00 0.71 C ATOM 370 CD PRO A 25 0.953 -15.063 -4.658 1.00 0.65 C ATOM 0 HA PRO A 25 1.526 -18.040 -3.424 1.00 0.63 H new ATOM 0 HB2 PRO A 25 3.553 -17.092 -5.057 1.00 0.72 H new ATOM 0 HB3 PRO A 25 1.995 -17.516 -5.738 1.00 0.72 H new ATOM 0 HG2 PRO A 25 3.059 -14.798 -4.992 1.00 0.71 H new ATOM 0 HG3 PRO A 25 2.164 -15.274 -6.421 1.00 0.71 H new ATOM 0 HD2 PRO A 25 0.960 -14.030 -4.311 1.00 0.65 H new ATOM 0 HD3 PRO A 25 0.099 -15.169 -5.327 1.00 0.65 H new ATOM 378 N ALA A 26 3.429 -17.944 -1.936 1.00 0.61 N ATOM 379 CA ALA A 26 4.472 -17.891 -0.918 1.00 0.60 C ATOM 380 C ALA A 26 5.847 -17.713 -1.556 1.00 0.54 C ATOM 381 O ALA A 26 6.108 -18.225 -2.643 1.00 0.58 O ATOM 382 CB ALA A 26 4.441 -19.150 -0.064 1.00 0.71 C ATOM 0 H ALA A 26 3.055 -18.877 -2.109 1.00 0.61 H new ATOM 0 HA ALA A 26 4.281 -17.029 -0.278 1.00 0.60 H new ATOM 0 HB1 ALA A 26 5.225 -19.097 0.691 1.00 0.71 H new ATOM 0 HB2 ALA A 26 3.471 -19.234 0.425 1.00 0.71 H new ATOM 0 HB3 ALA A 26 4.605 -20.023 -0.696 1.00 0.71 H new ATOM 388 N ALA A 27 6.721 -16.976 -0.875 1.00 0.50 N ATOM 389 CA ALA A 27 8.064 -16.723 -1.383 1.00 0.48 C ATOM 390 C ALA A 27 8.013 -15.983 -2.718 1.00 0.43 C ATOM 391 O ALA A 27 8.967 -16.017 -3.497 1.00 0.46 O ATOM 392 CB ALA A 27 8.828 -18.032 -1.529 1.00 0.55 C ATOM 0 H ALA A 27 6.523 -16.545 0.028 1.00 0.50 H new ATOM 0 HA ALA A 27 8.586 -16.090 -0.666 1.00 0.48 H new ATOM 0 HB1 ALA A 27 9.829 -17.829 -1.909 1.00 0.55 H new ATOM 0 HB2 ALA A 27 8.901 -18.521 -0.558 1.00 0.55 H new ATOM 0 HB3 ALA A 27 8.301 -18.685 -2.225 1.00 0.55 H new ATOM 398 N ASN A 28 6.892 -15.314 -2.972 1.00 0.39 N ATOM 399 CA ASN A 28 6.699 -14.563 -4.203 1.00 0.36 C ATOM 400 C ASN A 28 6.380 -13.104 -3.894 1.00 0.30 C ATOM 401 O ASN A 28 6.120 -12.750 -2.744 1.00 0.29 O ATOM 402 CB ASN A 28 5.570 -15.184 -5.032 1.00 0.40 C ATOM 403 CG ASN A 28 6.023 -16.409 -5.801 1.00 0.77 C ATOM 404 OD1 ASN A 28 6.555 -16.302 -6.905 1.00 1.42 O ATOM 405 ND2 ASN A 28 5.811 -17.584 -5.219 1.00 1.36 N ATOM 0 H ASN A 28 6.098 -15.279 -2.333 1.00 0.39 H new ATOM 0 HA ASN A 28 7.623 -14.603 -4.780 1.00 0.36 H new ATOM 0 HB2 ASN A 28 4.746 -15.457 -4.372 1.00 0.40 H new ATOM 0 HB3 ASN A 28 5.186 -14.441 -5.731 1.00 0.40 H new ATOM 0 HD21 ASN A 28 6.093 -18.444 -5.689 1.00 1.36 H new ATOM 0 HD22 ASN A 28 5.366 -17.626 -4.302 1.00 1.36 H new ATOM 412 N THR A 29 6.402 -12.258 -4.919 1.00 0.30 N ATOM 413 CA THR A 29 6.115 -10.842 -4.733 1.00 0.28 C ATOM 414 C THR A 29 4.613 -10.604 -4.635 1.00 0.30 C ATOM 415 O THR A 29 3.821 -11.311 -5.261 1.00 0.33 O ATOM 416 CB THR A 29 6.692 -9.985 -5.877 1.00 0.32 C ATOM 417 OG1 THR A 29 6.116 -8.674 -5.847 1.00 0.96 O ATOM 418 CG2 THR A 29 6.424 -10.629 -7.229 1.00 0.92 C ATOM 0 H THR A 29 6.614 -12.527 -5.880 1.00 0.30 H new ATOM 0 HA THR A 29 6.594 -10.541 -3.801 1.00 0.28 H new ATOM 0 HB THR A 29 7.770 -9.913 -5.735 1.00 0.32 H new ATOM 0 HG1 THR A 29 6.221 -8.291 -4.951 1.00 0.96 H new ATOM 0 HG21 THR A 29 6.841 -10.004 -8.019 1.00 0.92 H new ATOM 0 HG22 THR A 29 6.889 -11.614 -7.261 1.00 0.92 H new ATOM 0 HG23 THR A 29 5.349 -10.731 -7.377 1.00 0.92 H new ATOM 426 N VAL A 30 4.224 -9.623 -3.829 1.00 0.33 N ATOM 427 CA VAL A 30 2.813 -9.315 -3.631 1.00 0.39 C ATOM 428 C VAL A 30 2.436 -7.944 -4.184 1.00 0.35 C ATOM 429 O VAL A 30 3.204 -6.986 -4.095 1.00 0.35 O ATOM 430 CB VAL A 30 2.438 -9.368 -2.140 1.00 0.47 C ATOM 431 CG1 VAL A 30 0.928 -9.339 -1.965 1.00 0.56 C ATOM 432 CG2 VAL A 30 3.036 -10.606 -1.486 1.00 0.57 C ATOM 0 H VAL A 30 4.864 -9.028 -3.303 1.00 0.33 H new ATOM 0 HA VAL A 30 2.257 -10.076 -4.180 1.00 0.39 H new ATOM 0 HB VAL A 30 2.851 -8.488 -1.648 1.00 0.47 H new ATOM 0 HG11 VAL A 30 0.684 -9.377 -0.903 1.00 0.56 H new ATOM 0 HG12 VAL A 30 0.529 -8.421 -2.396 1.00 0.56 H new ATOM 0 HG13 VAL A 30 0.487 -10.198 -2.470 1.00 0.56 H new ATOM 0 HG21 VAL A 30 2.762 -10.629 -0.431 1.00 0.57 H new ATOM 0 HG22 VAL A 30 2.653 -11.499 -1.980 1.00 0.57 H new ATOM 0 HG23 VAL A 30 4.122 -10.578 -1.578 1.00 0.57 H new ATOM 442 N LYS A 31 1.237 -7.871 -4.752 1.00 0.34 N ATOM 443 CA LYS A 31 0.723 -6.631 -5.322 1.00 0.33 C ATOM 444 C LYS A 31 -0.157 -5.894 -4.315 1.00 0.33 C ATOM 445 O LYS A 31 -1.047 -6.485 -3.704 1.00 0.38 O ATOM 446 CB LYS A 31 -0.063 -6.920 -6.602 1.00 0.38 C ATOM 447 CG LYS A 31 0.415 -6.120 -7.804 1.00 0.60 C ATOM 448 CD LYS A 31 -0.536 -4.978 -8.126 1.00 0.82 C ATOM 449 CE LYS A 31 -0.054 -3.667 -7.527 1.00 1.34 C ATOM 450 NZ LYS A 31 1.181 -3.170 -8.193 1.00 1.98 N ATOM 0 H LYS A 31 0.599 -8.663 -4.830 1.00 0.34 H new ATOM 0 HA LYS A 31 1.571 -5.991 -5.567 1.00 0.33 H new ATOM 0 HB2 LYS A 31 0.010 -7.983 -6.831 1.00 0.38 H new ATOM 0 HB3 LYS A 31 -1.117 -6.703 -6.428 1.00 0.38 H new ATOM 0 HG2 LYS A 31 1.410 -5.722 -7.605 1.00 0.60 H new ATOM 0 HG3 LYS A 31 0.502 -6.778 -8.669 1.00 0.60 H new ATOM 0 HD2 LYS A 31 -0.628 -4.873 -9.207 1.00 0.82 H new ATOM 0 HD3 LYS A 31 -1.529 -5.211 -7.743 1.00 0.82 H new ATOM 0 HE2 LYS A 31 -0.840 -2.917 -7.615 1.00 1.34 H new ATOM 0 HE3 LYS A 31 0.138 -3.804 -6.463 1.00 1.34 H new ATOM 0 HZ1 LYS A 31 1.145 -2.133 -8.262 1.00 1.98 H new ATOM 0 HZ2 LYS A 31 2.013 -3.451 -7.636 1.00 1.98 H new ATOM 0 HZ3 LYS A 31 1.249 -3.578 -9.147 1.00 1.98 H new ATOM 464 N PHE A 32 0.106 -4.600 -4.140 1.00 0.31 N ATOM 465 CA PHE A 32 -0.654 -3.777 -3.201 1.00 0.35 C ATOM 466 C PHE A 32 -1.035 -2.443 -3.850 1.00 0.32 C ATOM 467 O PHE A 32 -0.176 -1.689 -4.293 1.00 0.32 O ATOM 468 CB PHE A 32 0.186 -3.566 -1.932 1.00 0.44 C ATOM 469 CG PHE A 32 -0.195 -2.375 -1.096 1.00 0.90 C ATOM 470 CD1 PHE A 32 -1.510 -1.948 -1.017 1.00 1.64 C ATOM 471 CD2 PHE A 32 0.774 -1.688 -0.382 1.00 1.21 C ATOM 472 CE1 PHE A 32 -1.851 -0.858 -0.240 1.00 2.28 C ATOM 473 CE2 PHE A 32 0.439 -0.597 0.393 1.00 1.91 C ATOM 474 CZ PHE A 32 -0.874 -0.181 0.465 1.00 2.35 C ATOM 0 H PHE A 32 0.841 -4.098 -4.638 1.00 0.31 H new ATOM 0 HA PHE A 32 -1.581 -4.282 -2.929 1.00 0.35 H new ATOM 0 HB2 PHE A 32 0.111 -4.461 -1.314 1.00 0.44 H new ATOM 0 HB3 PHE A 32 1.232 -3.465 -2.222 1.00 0.44 H new ATOM 0 HD1 PHE A 32 -2.276 -2.472 -1.568 1.00 1.64 H new ATOM 0 HD2 PHE A 32 1.803 -2.011 -0.433 1.00 1.21 H new ATOM 0 HE1 PHE A 32 -2.880 -0.535 -0.184 1.00 2.28 H new ATOM 0 HE2 PHE A 32 1.204 -0.069 0.943 1.00 1.91 H new ATOM 0 HZ PHE A 32 -1.138 0.673 1.071 1.00 2.35 H new ATOM 484 N ARG A 33 -2.333 -2.172 -3.937 1.00 0.36 N ATOM 485 CA ARG A 33 -2.804 -0.939 -4.569 1.00 0.39 C ATOM 486 C ARG A 33 -3.514 -0.019 -3.583 1.00 0.40 C ATOM 487 O ARG A 33 -4.161 -0.467 -2.638 1.00 0.43 O ATOM 488 CB ARG A 33 -3.739 -1.233 -5.758 1.00 0.47 C ATOM 489 CG ARG A 33 -4.034 -2.707 -5.994 1.00 0.80 C ATOM 490 CD ARG A 33 -2.778 -3.483 -6.358 1.00 0.53 C ATOM 491 NE ARG A 33 -2.774 -4.815 -5.763 1.00 1.09 N ATOM 492 CZ ARG A 33 -3.374 -5.872 -6.306 1.00 1.56 C ATOM 493 NH1 ARG A 33 -4.010 -5.758 -7.466 1.00 2.10 N ATOM 494 NH2 ARG A 33 -3.336 -7.044 -5.690 1.00 2.12 N ATOM 0 H ARG A 33 -3.072 -2.780 -3.583 1.00 0.36 H new ATOM 0 HA ARG A 33 -1.913 -0.429 -4.934 1.00 0.39 H new ATOM 0 HB2 ARG A 33 -4.682 -0.710 -5.597 1.00 0.47 H new ATOM 0 HB3 ARG A 33 -3.294 -0.817 -6.662 1.00 0.47 H new ATOM 0 HG2 ARG A 33 -4.480 -3.137 -5.097 1.00 0.80 H new ATOM 0 HG3 ARG A 33 -4.768 -2.807 -6.794 1.00 0.80 H new ATOM 0 HD2 ARG A 33 -2.705 -3.569 -7.442 1.00 0.53 H new ATOM 0 HD3 ARG A 33 -1.900 -2.932 -6.022 1.00 0.53 H new ATOM 0 HE ARG A 33 -2.282 -4.944 -4.879 1.00 1.09 H new ATOM 0 HH11 ARG A 33 -4.040 -4.858 -7.945 1.00 2.10 H new ATOM 0 HH12 ARG A 33 -4.468 -6.571 -7.878 1.00 2.10 H new ATOM 0 HH21 ARG A 33 -2.847 -7.137 -4.800 1.00 2.12 H new ATOM 0 HH22 ARG A 33 -3.796 -7.854 -6.106 1.00 2.12 H new ATOM 508 N CYS A 34 -3.396 1.278 -3.844 1.00 0.39 N ATOM 509 CA CYS A 34 -4.032 2.297 -3.022 1.00 0.41 C ATOM 510 C CYS A 34 -4.216 3.590 -3.812 1.00 0.41 C ATOM 511 O CYS A 34 -3.850 4.669 -3.346 1.00 0.47 O ATOM 512 CB CYS A 34 -3.215 2.561 -1.755 1.00 0.44 C ATOM 513 SG CYS A 34 -4.222 2.681 -0.239 1.00 0.94 S ATOM 0 H CYS A 34 -2.859 1.650 -4.628 1.00 0.39 H new ATOM 0 HA CYS A 34 -5.014 1.928 -2.728 1.00 0.41 H new ATOM 0 HB2 CYS A 34 -2.485 1.761 -1.632 1.00 0.44 H new ATOM 0 HB3 CYS A 34 -2.655 3.487 -1.882 1.00 0.44 H new ATOM 518 N PRO A 35 -4.784 3.499 -5.027 1.00 0.41 N ATOM 519 CA PRO A 35 -5.007 4.670 -5.881 1.00 0.44 C ATOM 520 C PRO A 35 -6.036 5.633 -5.297 1.00 0.34 C ATOM 521 O PRO A 35 -7.124 5.226 -4.890 1.00 0.34 O ATOM 522 CB PRO A 35 -5.520 4.068 -7.192 1.00 0.57 C ATOM 523 CG PRO A 35 -6.087 2.745 -6.810 1.00 0.54 C ATOM 524 CD PRO A 35 -5.248 2.251 -5.665 1.00 0.44 C ATOM 0 HA PRO A 35 -4.100 5.263 -5.996 1.00 0.44 H new ATOM 0 HB2 PRO A 35 -6.277 4.705 -7.650 1.00 0.57 H new ATOM 0 HB3 PRO A 35 -4.715 3.958 -7.918 1.00 0.57 H new ATOM 0 HG2 PRO A 35 -7.132 2.839 -6.516 1.00 0.54 H new ATOM 0 HG3 PRO A 35 -6.053 2.049 -7.648 1.00 0.54 H new ATOM 0 HD2 PRO A 35 -5.828 1.637 -4.976 1.00 0.44 H new ATOM 0 HD3 PRO A 35 -4.414 1.641 -6.011 1.00 0.44 H new ATOM 532 N ALA A 36 -5.685 6.915 -5.264 1.00 0.35 N ATOM 533 CA ALA A 36 -6.572 7.944 -4.736 1.00 0.33 C ATOM 534 C ALA A 36 -6.250 9.305 -5.344 1.00 0.32 C ATOM 535 O ALA A 36 -5.140 9.815 -5.194 1.00 0.38 O ATOM 536 CB ALA A 36 -6.469 8.003 -3.220 1.00 0.40 C ATOM 0 H ALA A 36 -4.788 7.266 -5.599 1.00 0.35 H new ATOM 0 HA ALA A 36 -7.595 7.684 -5.008 1.00 0.33 H new ATOM 0 HB1 ALA A 36 -7.137 8.776 -2.840 1.00 0.40 H new ATOM 0 HB2 ALA A 36 -6.753 7.039 -2.798 1.00 0.40 H new ATOM 0 HB3 ALA A 36 -5.444 8.237 -2.934 1.00 0.40 H new ATOM 542 N GLY A 37 -7.225 9.889 -6.035 1.00 0.33 N ATOM 543 CA GLY A 37 -7.020 11.184 -6.658 1.00 0.36 C ATOM 544 C GLY A 37 -6.943 12.311 -5.649 1.00 0.35 C ATOM 545 O GLY A 37 -7.824 12.461 -4.805 1.00 0.37 O ATOM 0 H GLY A 37 -8.153 9.488 -6.174 1.00 0.33 H new ATOM 0 HA2 GLY A 37 -6.100 11.161 -7.242 1.00 0.36 H new ATOM 0 HA3 GLY A 37 -7.835 11.381 -7.355 1.00 0.36 H new ATOM 549 N GLY A 38 -5.886 13.109 -5.738 1.00 0.36 N ATOM 550 CA GLY A 38 -5.709 14.224 -4.823 1.00 0.39 C ATOM 551 C GLY A 38 -4.583 15.135 -5.255 1.00 0.37 C ATOM 552 O GLY A 38 -4.316 15.269 -6.450 1.00 0.42 O ATOM 0 H GLY A 38 -5.144 13.004 -6.430 1.00 0.36 H new ATOM 0 HA2 GLY A 38 -6.635 14.795 -4.763 1.00 0.39 H new ATOM 0 HA3 GLY A 38 -5.504 13.843 -3.822 1.00 0.39 H new ATOM 556 N ASN A 39 -3.911 15.762 -4.294 1.00 0.40 N ATOM 557 CA ASN A 39 -2.807 16.652 -4.629 1.00 0.47 C ATOM 558 C ASN A 39 -1.603 15.847 -5.107 1.00 0.36 C ATOM 559 O ASN A 39 -1.592 14.619 -5.019 1.00 0.34 O ATOM 560 CB ASN A 39 -2.423 17.523 -3.432 1.00 0.70 C ATOM 561 CG ASN A 39 -2.768 18.982 -3.659 1.00 2.04 C ATOM 562 OD1 ASN A 39 -1.937 19.869 -3.459 1.00 2.41 O ATOM 563 ND2 ASN A 39 -4.001 19.239 -4.078 1.00 2.89 N ATOM 0 H ASN A 39 -4.107 15.673 -3.297 1.00 0.40 H new ATOM 0 HA ASN A 39 -3.133 17.309 -5.436 1.00 0.47 H new ATOM 0 HB2 ASN A 39 -2.938 17.163 -2.541 1.00 0.70 H new ATOM 0 HB3 ASN A 39 -1.354 17.428 -3.243 1.00 0.70 H new ATOM 0 HD21 ASN A 39 -4.292 20.202 -4.247 1.00 2.89 H new ATOM 0 HD22 ASN A 39 -4.658 18.474 -4.231 1.00 2.89 H new ATOM 570 N PRO A 40 -0.571 16.529 -5.629 1.00 0.39 N ATOM 571 CA PRO A 40 0.639 15.869 -6.129 1.00 0.39 C ATOM 572 C PRO A 40 1.592 15.445 -5.012 1.00 0.34 C ATOM 573 O PRO A 40 2.706 14.994 -5.281 1.00 0.40 O ATOM 574 CB PRO A 40 1.279 16.952 -6.994 1.00 0.51 C ATOM 575 CG PRO A 40 0.871 18.233 -6.353 1.00 0.52 C ATOM 576 CD PRO A 40 -0.503 17.996 -5.780 1.00 0.53 C ATOM 0 HA PRO A 40 0.411 14.944 -6.659 1.00 0.39 H new ATOM 0 HB2 PRO A 40 2.364 16.849 -7.020 1.00 0.51 H new ATOM 0 HB3 PRO A 40 0.929 16.895 -8.025 1.00 0.51 H new ATOM 0 HG2 PRO A 40 1.575 18.519 -5.571 1.00 0.52 H new ATOM 0 HG3 PRO A 40 0.855 19.045 -7.080 1.00 0.52 H new ATOM 0 HD2 PRO A 40 -0.631 18.503 -4.824 1.00 0.53 H new ATOM 0 HD3 PRO A 40 -1.283 18.367 -6.445 1.00 0.53 H new ATOM 584 N MET A 41 1.160 15.594 -3.760 1.00 0.31 N ATOM 585 CA MET A 41 1.995 15.228 -2.624 1.00 0.33 C ATOM 586 C MET A 41 1.309 14.195 -1.730 1.00 0.32 C ATOM 587 O MET A 41 0.837 14.522 -0.641 1.00 0.36 O ATOM 588 CB MET A 41 2.328 16.474 -1.802 1.00 0.39 C ATOM 589 CG MET A 41 3.574 16.321 -0.946 1.00 0.47 C ATOM 590 SD MET A 41 5.084 16.231 -1.929 1.00 1.30 S ATOM 591 CE MET A 41 6.051 15.071 -0.966 1.00 1.83 C ATOM 0 H MET A 41 0.242 15.963 -3.511 1.00 0.31 H new ATOM 0 HA MET A 41 2.911 14.784 -3.014 1.00 0.33 H new ATOM 0 HB2 MET A 41 2.462 17.319 -2.477 1.00 0.39 H new ATOM 0 HB3 MET A 41 1.481 16.711 -1.158 1.00 0.39 H new ATOM 0 HG2 MET A 41 3.643 17.163 -0.257 1.00 0.47 H new ATOM 0 HG3 MET A 41 3.485 15.420 -0.340 1.00 0.47 H new ATOM 0 HE1 MET A 41 7.016 14.913 -1.448 1.00 1.83 H new ATOM 0 HE2 MET A 41 6.208 15.471 0.036 1.00 1.83 H new ATOM 0 HE3 MET A 41 5.519 14.122 -0.898 1.00 1.83 H new ATOM 601 N PRO A 42 1.254 12.927 -2.172 1.00 0.32 N ATOM 602 CA PRO A 42 0.639 11.849 -1.412 1.00 0.34 C ATOM 603 C PRO A 42 1.652 11.123 -0.527 1.00 0.35 C ATOM 604 O PRO A 42 2.671 10.634 -1.016 1.00 0.43 O ATOM 605 CB PRO A 42 0.131 10.929 -2.516 1.00 0.40 C ATOM 606 CG PRO A 42 1.106 11.096 -3.640 1.00 0.42 C ATOM 607 CD PRO A 42 1.787 12.436 -3.452 1.00 0.36 C ATOM 0 HA PRO A 42 -0.134 12.196 -0.726 1.00 0.34 H new ATOM 0 HB2 PRO A 42 0.091 9.893 -2.179 1.00 0.40 H new ATOM 0 HB3 PRO A 42 -0.878 11.203 -2.825 1.00 0.40 H new ATOM 0 HG2 PRO A 42 1.839 10.289 -3.636 1.00 0.42 H new ATOM 0 HG3 PRO A 42 0.594 11.057 -4.601 1.00 0.42 H new ATOM 0 HD2 PRO A 42 2.872 12.332 -3.420 1.00 0.36 H new ATOM 0 HD3 PRO A 42 1.557 13.119 -4.269 1.00 0.36 H new ATOM 615 N THR A 43 1.371 11.060 0.771 1.00 0.32 N ATOM 616 CA THR A 43 2.271 10.394 1.710 1.00 0.35 C ATOM 617 C THR A 43 1.560 9.268 2.447 1.00 0.37 C ATOM 618 O THR A 43 0.767 9.514 3.352 1.00 0.48 O ATOM 619 CB THR A 43 2.836 11.387 2.742 1.00 0.41 C ATOM 620 OG1 THR A 43 1.935 12.488 2.910 1.00 0.94 O ATOM 621 CG2 THR A 43 4.199 11.903 2.308 1.00 1.00 C ATOM 0 H THR A 43 0.534 11.459 1.196 1.00 0.32 H new ATOM 0 HA THR A 43 3.091 9.980 1.123 1.00 0.35 H new ATOM 0 HB THR A 43 2.949 10.863 3.691 1.00 0.41 H new ATOM 0 HG1 THR A 43 1.021 12.150 3.015 1.00 0.94 H new ATOM 0 HG21 THR A 43 4.577 12.603 3.053 1.00 1.00 H new ATOM 0 HG22 THR A 43 4.891 11.066 2.212 1.00 1.00 H new ATOM 0 HG23 THR A 43 4.107 12.410 1.348 1.00 1.00 H new ATOM 629 N MET A 44 1.847 8.030 2.055 1.00 0.35 N ATOM 630 CA MET A 44 1.225 6.869 2.686 1.00 0.41 C ATOM 631 C MET A 44 2.259 5.995 3.390 1.00 0.38 C ATOM 632 O MET A 44 3.410 5.903 2.959 1.00 0.40 O ATOM 633 CB MET A 44 0.462 6.042 1.646 1.00 0.49 C ATOM 634 CG MET A 44 1.231 5.813 0.354 1.00 0.86 C ATOM 635 SD MET A 44 2.579 4.632 0.548 1.00 1.82 S ATOM 636 CE MET A 44 3.536 4.969 -0.928 1.00 2.30 C ATOM 0 H MET A 44 2.503 7.805 1.307 1.00 0.35 H new ATOM 0 HA MET A 44 0.525 7.236 3.437 1.00 0.41 H new ATOM 0 HB2 MET A 44 0.207 5.076 2.081 1.00 0.49 H new ATOM 0 HB3 MET A 44 -0.477 6.545 1.414 1.00 0.49 H new ATOM 0 HG2 MET A 44 0.546 5.453 -0.413 1.00 0.86 H new ATOM 0 HG3 MET A 44 1.633 6.763 0.002 1.00 0.86 H new ATOM 0 HE1 MET A 44 4.408 4.315 -0.954 1.00 2.30 H new ATOM 0 HE2 MET A 44 2.921 4.788 -1.810 1.00 2.30 H new ATOM 0 HE3 MET A 44 3.863 6.009 -0.920 1.00 2.30 H new ATOM 646 N ARG A 45 1.837 5.351 4.474 1.00 0.36 N ATOM 647 CA ARG A 45 2.714 4.476 5.244 1.00 0.34 C ATOM 648 C ARG A 45 2.334 3.015 5.027 1.00 0.32 C ATOM 649 O ARG A 45 1.172 2.698 4.762 1.00 0.34 O ATOM 650 CB ARG A 45 2.640 4.823 6.732 1.00 0.37 C ATOM 651 CG ARG A 45 3.553 5.968 7.135 1.00 0.66 C ATOM 652 CD ARG A 45 3.308 6.401 8.571 1.00 0.88 C ATOM 653 NE ARG A 45 4.504 6.261 9.400 1.00 1.57 N ATOM 654 CZ ARG A 45 4.521 6.482 10.710 1.00 2.04 C ATOM 655 NH1 ARG A 45 3.412 6.850 11.336 1.00 2.22 N ATOM 656 NH2 ARG A 45 5.647 6.333 11.396 1.00 2.89 N ATOM 0 H ARG A 45 0.888 5.420 4.840 1.00 0.36 H new ATOM 0 HA ARG A 45 3.737 4.625 4.900 1.00 0.34 H new ATOM 0 HB2 ARG A 45 1.612 5.082 6.985 1.00 0.37 H new ATOM 0 HB3 ARG A 45 2.899 3.940 7.316 1.00 0.37 H new ATOM 0 HG2 ARG A 45 4.593 5.663 7.019 1.00 0.66 H new ATOM 0 HG3 ARG A 45 3.393 6.814 6.467 1.00 0.66 H new ATOM 0 HD2 ARG A 45 2.978 7.440 8.585 1.00 0.88 H new ATOM 0 HD3 ARG A 45 2.501 5.804 8.996 1.00 0.88 H new ATOM 0 HE ARG A 45 5.373 5.978 8.948 1.00 1.57 H new ATOM 0 HH11 ARG A 45 2.544 6.964 10.812 1.00 2.22 H new ATOM 0 HH12 ARG A 45 3.426 7.019 12.342 1.00 2.22 H new ATOM 0 HH21 ARG A 45 6.502 6.048 10.918 1.00 2.89 H new ATOM 0 HH22 ARG A 45 5.658 6.503 12.402 1.00 2.89 H new ATOM 670 N TRP A 46 3.319 2.131 5.138 1.00 0.31 N ATOM 671 CA TRP A 46 3.090 0.704 4.949 1.00 0.31 C ATOM 672 C TRP A 46 2.894 0.002 6.288 1.00 0.26 C ATOM 673 O TRP A 46 3.781 0.014 7.142 1.00 0.29 O ATOM 674 CB TRP A 46 4.274 0.079 4.208 1.00 0.39 C ATOM 675 CG TRP A 46 3.868 -0.780 3.048 1.00 0.70 C ATOM 676 CD1 TRP A 46 4.141 -0.556 1.731 1.00 1.52 C ATOM 677 CD2 TRP A 46 3.121 -2.000 3.102 1.00 1.34 C ATOM 678 NE1 TRP A 46 3.610 -1.562 0.961 1.00 1.62 N ATOM 679 CE2 TRP A 46 2.978 -2.460 1.779 1.00 1.46 C ATOM 680 CE3 TRP A 46 2.558 -2.748 4.140 1.00 2.43 C ATOM 681 CZ2 TRP A 46 2.298 -3.636 1.469 1.00 2.14 C ATOM 682 CZ3 TRP A 46 1.882 -3.913 3.831 1.00 3.28 C ATOM 683 CH2 TRP A 46 1.758 -4.348 2.505 1.00 3.02 C ATOM 0 H TRP A 46 4.284 2.378 5.358 1.00 0.31 H new ATOM 0 HA TRP A 46 2.183 0.580 4.357 1.00 0.31 H new ATOM 0 HB2 TRP A 46 4.929 0.874 3.850 1.00 0.39 H new ATOM 0 HB3 TRP A 46 4.855 -0.521 4.908 1.00 0.39 H new ATOM 0 HD1 TRP A 46 4.694 0.289 1.349 1.00 1.52 H new ATOM 0 HE1 TRP A 46 3.676 -1.629 -0.055 1.00 1.62 H new ATOM 0 HE3 TRP A 46 2.650 -2.421 5.165 1.00 2.43 H new ATOM 0 HZ2 TRP A 46 2.201 -3.973 0.448 1.00 2.14 H new ATOM 0 HZ3 TRP A 46 1.442 -4.498 4.625 1.00 3.28 H new ATOM 0 HH2 TRP A 46 1.225 -5.264 2.296 1.00 3.02 H new ATOM 694 N LEU A 47 1.729 -0.621 6.460 1.00 0.25 N ATOM 695 CA LEU A 47 1.425 -1.335 7.692 1.00 0.26 C ATOM 696 C LEU A 47 1.047 -2.784 7.397 1.00 0.24 C ATOM 697 O LEU A 47 0.099 -3.049 6.659 1.00 0.31 O ATOM 698 CB LEU A 47 0.288 -0.639 8.447 1.00 0.37 C ATOM 699 CG LEU A 47 0.690 -0.008 9.780 1.00 0.80 C ATOM 700 CD1 LEU A 47 1.672 1.132 9.557 1.00 1.58 C ATOM 701 CD2 LEU A 47 -0.539 0.484 10.531 1.00 1.53 C ATOM 0 H LEU A 47 0.985 -0.644 5.763 1.00 0.25 H new ATOM 0 HA LEU A 47 2.318 -1.330 8.317 1.00 0.26 H new ATOM 0 HB2 LEU A 47 -0.132 0.137 7.807 1.00 0.37 H new ATOM 0 HB3 LEU A 47 -0.504 -1.365 8.630 1.00 0.37 H new ATOM 0 HG LEU A 47 1.180 -0.770 10.386 1.00 0.80 H new ATOM 0 HD11 LEU A 47 1.947 1.569 10.517 1.00 1.58 H new ATOM 0 HD12 LEU A 47 2.566 0.751 9.063 1.00 1.58 H new ATOM 0 HD13 LEU A 47 1.208 1.894 8.931 1.00 1.58 H new ATOM 0 HD21 LEU A 47 -0.233 0.930 11.477 1.00 1.53 H new ATOM 0 HD22 LEU A 47 -1.058 1.230 9.930 1.00 1.53 H new ATOM 0 HD23 LEU A 47 -1.207 -0.355 10.725 1.00 1.53 H new ATOM 713 N LYS A 48 1.796 -3.718 7.976 1.00 0.22 N ATOM 714 CA LYS A 48 1.537 -5.140 7.769 1.00 0.25 C ATOM 715 C LYS A 48 1.397 -5.873 9.101 1.00 0.26 C ATOM 716 O LYS A 48 2.381 -6.089 9.809 1.00 0.31 O ATOM 717 CB LYS A 48 2.644 -5.799 6.926 1.00 0.34 C ATOM 718 CG LYS A 48 3.856 -4.914 6.648 1.00 0.41 C ATOM 719 CD LYS A 48 4.592 -5.360 5.392 1.00 0.88 C ATOM 720 CE LYS A 48 5.012 -6.821 5.478 1.00 0.73 C ATOM 721 NZ LYS A 48 5.188 -7.428 4.129 1.00 1.37 N ATOM 0 H LYS A 48 2.585 -3.517 8.590 1.00 0.22 H new ATOM 0 HA LYS A 48 0.596 -5.217 7.224 1.00 0.25 H new ATOM 0 HB2 LYS A 48 2.981 -6.701 7.437 1.00 0.34 H new ATOM 0 HB3 LYS A 48 2.216 -6.113 5.974 1.00 0.34 H new ATOM 0 HG2 LYS A 48 3.534 -3.879 6.535 1.00 0.41 H new ATOM 0 HG3 LYS A 48 4.535 -4.946 7.500 1.00 0.41 H new ATOM 0 HD2 LYS A 48 3.950 -5.216 4.523 1.00 0.88 H new ATOM 0 HD3 LYS A 48 5.473 -4.735 5.245 1.00 0.88 H new ATOM 0 HE2 LYS A 48 5.945 -6.898 6.036 1.00 0.73 H new ATOM 0 HE3 LYS A 48 4.261 -7.383 6.034 1.00 0.73 H new ATOM 0 HZ1 LYS A 48 4.889 -8.424 4.155 1.00 1.37 H new ATOM 0 HZ2 LYS A 48 4.609 -6.910 3.437 1.00 1.37 H new ATOM 0 HZ3 LYS A 48 6.189 -7.374 3.852 1.00 1.37 H new ATOM 735 N ASN A 49 0.168 -6.263 9.432 1.00 0.28 N ATOM 736 CA ASN A 49 -0.112 -6.984 10.676 1.00 0.35 C ATOM 737 C ASN A 49 0.677 -6.414 11.855 1.00 0.39 C ATOM 738 O ASN A 49 1.345 -7.152 12.579 1.00 0.50 O ATOM 739 CB ASN A 49 0.210 -8.469 10.508 1.00 0.38 C ATOM 740 CG ASN A 49 -0.577 -9.342 11.467 1.00 0.75 C ATOM 741 OD1 ASN A 49 -0.685 -9.039 12.655 1.00 1.53 O ATOM 742 ND2 ASN A 49 -1.132 -10.433 10.953 1.00 1.32 N ATOM 0 H ASN A 49 -0.655 -6.092 8.854 1.00 0.28 H new ATOM 0 HA ASN A 49 -1.173 -6.861 10.893 1.00 0.35 H new ATOM 0 HB2 ASN A 49 -0.007 -8.772 9.484 1.00 0.38 H new ATOM 0 HB3 ASN A 49 1.276 -8.627 10.668 1.00 0.38 H new ATOM 0 HD21 ASN A 49 -1.674 -11.059 11.549 1.00 1.32 H new ATOM 0 HD22 ASN A 49 -1.017 -10.645 9.962 1.00 1.32 H new ATOM 749 N GLY A 50 0.596 -5.101 12.043 1.00 0.38 N ATOM 750 CA GLY A 50 1.309 -4.466 13.137 1.00 0.45 C ATOM 751 C GLY A 50 2.779 -4.266 12.824 1.00 0.48 C ATOM 752 O GLY A 50 3.602 -4.129 13.729 1.00 0.68 O ATOM 0 H GLY A 50 0.051 -4.466 11.459 1.00 0.38 H new ATOM 0 HA2 GLY A 50 0.851 -3.501 13.355 1.00 0.45 H new ATOM 0 HA3 GLY A 50 1.210 -5.076 14.035 1.00 0.45 H new ATOM 756 N LYS A 51 3.104 -4.250 11.537 1.00 0.36 N ATOM 757 CA LYS A 51 4.480 -4.066 11.094 1.00 0.39 C ATOM 758 C LYS A 51 4.580 -2.863 10.161 1.00 0.38 C ATOM 759 O LYS A 51 3.679 -2.615 9.364 1.00 0.39 O ATOM 760 CB LYS A 51 4.975 -5.327 10.382 1.00 0.42 C ATOM 761 CG LYS A 51 6.488 -5.404 10.251 1.00 0.53 C ATOM 762 CD LYS A 51 6.968 -4.766 8.958 1.00 0.75 C ATOM 763 CE LYS A 51 7.542 -5.799 8.002 1.00 0.82 C ATOM 764 NZ LYS A 51 8.822 -6.369 8.508 1.00 1.36 N ATOM 0 H LYS A 51 2.430 -4.363 10.779 1.00 0.36 H new ATOM 0 HA LYS A 51 5.107 -3.883 11.967 1.00 0.39 H new ATOM 0 HB2 LYS A 51 4.622 -6.203 10.926 1.00 0.42 H new ATOM 0 HB3 LYS A 51 4.531 -5.369 9.387 1.00 0.42 H new ATOM 0 HG2 LYS A 51 6.954 -4.903 11.100 1.00 0.53 H new ATOM 0 HG3 LYS A 51 6.804 -6.447 10.283 1.00 0.53 H new ATOM 0 HD2 LYS A 51 6.138 -4.247 8.478 1.00 0.75 H new ATOM 0 HD3 LYS A 51 7.726 -4.016 9.182 1.00 0.75 H new ATOM 0 HE2 LYS A 51 6.819 -6.602 7.857 1.00 0.82 H new ATOM 0 HE3 LYS A 51 7.708 -5.340 7.028 1.00 0.82 H new ATOM 0 HZ1 LYS A 51 9.575 -6.204 7.810 1.00 1.36 H new ATOM 0 HZ2 LYS A 51 9.075 -5.910 9.406 1.00 1.36 H new ATOM 0 HZ3 LYS A 51 8.710 -7.392 8.661 1.00 1.36 H new ATOM 778 N GLU A 52 5.681 -2.130 10.252 1.00 0.38 N ATOM 779 CA GLU A 52 5.892 -0.968 9.394 1.00 0.39 C ATOM 780 C GLU A 52 7.008 -1.234 8.393 1.00 0.43 C ATOM 781 O GLU A 52 7.965 -1.943 8.695 1.00 0.49 O ATOM 782 CB GLU A 52 6.218 0.272 10.229 1.00 0.44 C ATOM 783 CG GLU A 52 7.523 0.160 11.002 1.00 1.03 C ATOM 784 CD GLU A 52 7.510 0.969 12.285 1.00 1.38 C ATOM 785 OE1 GLU A 52 7.126 2.156 12.234 1.00 1.71 O ATOM 786 OE2 GLU A 52 7.884 0.414 13.340 1.00 1.90 O ATOM 0 H GLU A 52 6.440 -2.316 10.908 1.00 0.38 H new ATOM 0 HA GLU A 52 4.968 -0.783 8.845 1.00 0.39 H new ATOM 0 HB2 GLU A 52 6.268 1.140 9.571 1.00 0.44 H new ATOM 0 HB3 GLU A 52 5.404 0.451 10.931 1.00 0.44 H new ATOM 0 HG2 GLU A 52 7.713 -0.887 11.239 1.00 1.03 H new ATOM 0 HG3 GLU A 52 8.345 0.498 10.371 1.00 1.03 H new ATOM 793 N PHE A 53 6.890 -0.653 7.206 1.00 0.43 N ATOM 794 CA PHE A 53 7.907 -0.828 6.175 1.00 0.50 C ATOM 795 C PHE A 53 8.212 0.494 5.480 1.00 0.56 C ATOM 796 O PHE A 53 7.348 1.075 4.822 1.00 0.70 O ATOM 797 CB PHE A 53 7.457 -1.869 5.147 1.00 0.57 C ATOM 798 CG PHE A 53 8.405 -3.030 5.013 1.00 1.46 C ATOM 799 CD1 PHE A 53 9.074 -3.528 6.121 1.00 2.42 C ATOM 800 CD2 PHE A 53 8.622 -3.622 3.780 1.00 1.99 C ATOM 801 CE1 PHE A 53 9.943 -4.596 5.999 1.00 3.55 C ATOM 802 CE2 PHE A 53 9.491 -4.690 3.653 1.00 3.14 C ATOM 803 CZ PHE A 53 10.154 -5.176 4.764 1.00 3.85 C ATOM 0 H PHE A 53 6.106 -0.060 6.933 1.00 0.43 H new ATOM 0 HA PHE A 53 8.817 -1.181 6.659 1.00 0.50 H new ATOM 0 HB2 PHE A 53 6.473 -2.244 5.429 1.00 0.57 H new ATOM 0 HB3 PHE A 53 7.348 -1.386 4.176 1.00 0.57 H new ATOM 0 HD1 PHE A 53 8.914 -3.077 7.089 1.00 2.42 H new ATOM 0 HD2 PHE A 53 8.107 -3.246 2.908 1.00 1.99 H new ATOM 0 HE1 PHE A 53 10.457 -4.977 6.869 1.00 3.55 H new ATOM 0 HE2 PHE A 53 9.652 -5.144 2.686 1.00 3.14 H new ATOM 0 HZ PHE A 53 10.836 -6.008 4.666 1.00 3.85 H new ATOM 813 N LYS A 54 9.445 0.964 5.631 1.00 0.64 N ATOM 814 CA LYS A 54 9.863 2.219 5.017 1.00 0.77 C ATOM 815 C LYS A 54 10.095 2.040 3.521 1.00 1.29 C ATOM 816 O LYS A 54 10.591 1.005 3.078 1.00 1.12 O ATOM 817 CB LYS A 54 11.141 2.738 5.677 1.00 0.86 C ATOM 818 CG LYS A 54 11.085 2.744 7.196 1.00 1.43 C ATOM 819 CD LYS A 54 12.127 3.681 7.785 1.00 1.82 C ATOM 820 CE LYS A 54 11.747 4.129 9.185 1.00 2.44 C ATOM 821 NZ LYS A 54 12.629 5.224 9.675 1.00 3.19 N ATOM 0 H LYS A 54 10.172 0.496 6.172 1.00 0.64 H new ATOM 0 HA LYS A 54 9.064 2.946 5.164 1.00 0.77 H new ATOM 0 HB2 LYS A 54 11.981 2.122 5.356 1.00 0.86 H new ATOM 0 HB3 LYS A 54 11.335 3.751 5.325 1.00 0.86 H new ATOM 0 HG2 LYS A 54 10.091 3.050 7.524 1.00 1.43 H new ATOM 0 HG3 LYS A 54 11.248 1.734 7.572 1.00 1.43 H new ATOM 0 HD2 LYS A 54 13.094 3.179 7.813 1.00 1.82 H new ATOM 0 HD3 LYS A 54 12.239 4.553 7.141 1.00 1.82 H new ATOM 0 HE2 LYS A 54 10.711 4.468 9.189 1.00 2.44 H new ATOM 0 HE3 LYS A 54 11.808 3.281 9.867 1.00 2.44 H new ATOM 0 HZ1 LYS A 54 12.337 5.502 10.634 1.00 3.19 H new ATOM 0 HZ2 LYS A 54 13.615 4.893 9.695 1.00 3.19 H new ATOM 0 HZ3 LYS A 54 12.552 6.043 9.039 1.00 3.19 H new ATOM 885 N ARG A 58 12.860 -2.546 1.552 1.00 1.00 N ATOM 886 CA ARG A 58 11.896 -3.568 1.163 1.00 0.92 C ATOM 887 C ARG A 58 12.619 -4.849 0.758 1.00 0.69 C ATOM 888 O ARG A 58 13.693 -4.803 0.158 1.00 0.78 O ATOM 889 CB ARG A 58 11.008 -3.071 0.021 1.00 1.23 C ATOM 890 CG ARG A 58 9.639 -2.603 0.484 1.00 1.36 C ATOM 891 CD ARG A 58 8.526 -3.221 -0.349 1.00 1.75 C ATOM 892 NE ARG A 58 7.611 -4.015 0.465 1.00 2.44 N ATOM 893 CZ ARG A 58 7.886 -5.240 0.898 1.00 3.22 C ATOM 894 NH1 ARG A 58 9.043 -5.811 0.589 1.00 3.53 N ATOM 895 NH2 ARG A 58 7.004 -5.899 1.637 1.00 3.98 N ATOM 0 HA ARG A 58 11.258 -3.782 2.020 1.00 0.92 H new ATOM 0 HB2 ARG A 58 11.511 -2.250 -0.490 1.00 1.23 H new ATOM 0 HB3 ARG A 58 10.883 -3.872 -0.708 1.00 1.23 H new ATOM 0 HG2 ARG A 58 9.499 -2.866 1.532 1.00 1.36 H new ATOM 0 HG3 ARG A 58 9.584 -1.516 0.418 1.00 1.36 H new ATOM 0 HD2 ARG A 58 7.970 -2.431 -0.854 1.00 1.75 H new ATOM 0 HD3 ARG A 58 8.961 -3.851 -1.125 1.00 1.75 H new ATOM 0 HE ARG A 58 6.711 -3.606 0.715 1.00 2.44 H new ATOM 0 HH11 ARG A 58 9.723 -5.309 0.018 1.00 3.53 H new ATOM 0 HH12 ARG A 58 9.253 -6.752 0.922 1.00 3.53 H new ATOM 0 HH21 ARG A 58 6.112 -5.465 1.874 1.00 3.98 H new ATOM 0 HH22 ARG A 58 7.218 -6.840 1.968 1.00 3.98 H new ATOM 909 N ILE A 59 12.032 -5.991 1.098 1.00 0.67 N ATOM 910 CA ILE A 59 12.633 -7.281 0.784 1.00 0.66 C ATOM 911 C ILE A 59 12.629 -7.559 -0.714 1.00 0.59 C ATOM 912 O ILE A 59 11.643 -8.050 -1.261 1.00 0.57 O ATOM 913 CB ILE A 59 11.907 -8.432 1.503 1.00 0.95 C ATOM 914 CG1 ILE A 59 11.748 -8.113 2.992 1.00 1.05 C ATOM 915 CG2 ILE A 59 12.662 -9.737 1.312 1.00 1.16 C ATOM 916 CD1 ILE A 59 13.065 -7.959 3.721 1.00 1.64 C ATOM 0 H ILE A 59 11.141 -6.049 1.591 1.00 0.67 H new ATOM 0 HA ILE A 59 13.664 -7.229 1.134 1.00 0.66 H new ATOM 0 HB ILE A 59 10.914 -8.544 1.067 1.00 0.95 H new ATOM 0 HG12 ILE A 59 11.173 -7.193 3.099 1.00 1.05 H new ATOM 0 HG13 ILE A 59 11.170 -8.907 3.466 1.00 1.05 H new ATOM 0 HG21 ILE A 59 12.135 -10.541 1.827 1.00 1.16 H new ATOM 0 HG22 ILE A 59 12.726 -9.968 0.249 1.00 1.16 H new ATOM 0 HG23 ILE A 59 13.667 -9.640 1.724 1.00 1.16 H new ATOM 0 HD11 ILE A 59 12.876 -7.734 4.771 1.00 1.64 H new ATOM 0 HD12 ILE A 59 13.633 -8.886 3.645 1.00 1.64 H new ATOM 0 HD13 ILE A 59 13.636 -7.146 3.273 1.00 1.64 H new ATOM 928 N GLY A 60 13.747 -7.257 -1.367 1.00 0.70 N ATOM 929 CA GLY A 60 13.858 -7.497 -2.793 1.00 0.77 C ATOM 930 C GLY A 60 13.589 -6.262 -3.630 1.00 0.74 C ATOM 931 O GLY A 60 13.786 -6.281 -4.845 1.00 0.79 O ATOM 0 H GLY A 60 14.577 -6.851 -0.934 1.00 0.70 H new ATOM 0 HA2 GLY A 60 14.859 -7.868 -3.016 1.00 0.77 H new ATOM 0 HA3 GLY A 60 13.157 -8.281 -3.078 1.00 0.77 H new ATOM 935 N GLY A 61 13.133 -5.185 -2.994 1.00 0.70 N ATOM 936 CA GLY A 61 12.846 -3.969 -3.731 1.00 0.72 C ATOM 937 C GLY A 61 11.382 -3.861 -4.092 1.00 0.74 C ATOM 938 O GLY A 61 10.678 -4.870 -4.157 1.00 1.20 O ATOM 0 H GLY A 61 12.959 -5.134 -1.990 1.00 0.70 H new ATOM 0 HA2 GLY A 61 13.137 -3.105 -3.134 1.00 0.72 H new ATOM 0 HA3 GLY A 61 13.447 -3.945 -4.640 1.00 0.72 H new ATOM 942 N TYR A 62 10.908 -2.641 -4.320 1.00 0.69 N ATOM 943 CA TYR A 62 9.509 -2.431 -4.665 1.00 0.84 C ATOM 944 C TYR A 62 9.363 -1.483 -5.858 1.00 0.73 C ATOM 945 O TYR A 62 10.221 -0.635 -6.103 1.00 0.97 O ATOM 946 CB TYR A 62 8.734 -1.908 -3.435 1.00 1.36 C ATOM 947 CG TYR A 62 8.538 -0.401 -3.390 1.00 1.92 C ATOM 948 CD1 TYR A 62 9.606 0.449 -3.138 1.00 2.32 C ATOM 949 CD2 TYR A 62 7.284 0.162 -3.585 1.00 2.43 C ATOM 950 CE1 TYR A 62 9.432 1.817 -3.081 1.00 3.05 C ATOM 951 CE2 TYR A 62 7.101 1.531 -3.533 1.00 3.07 C ATOM 952 CZ TYR A 62 8.176 2.355 -3.338 1.00 3.35 C ATOM 953 OH TYR A 62 8.000 3.717 -3.221 1.00 4.10 O ATOM 0 H TYR A 62 11.468 -1.790 -4.272 1.00 0.69 H new ATOM 0 HA TYR A 62 9.081 -3.388 -4.963 1.00 0.84 H new ATOM 0 HB2 TYR A 62 7.755 -2.387 -3.411 1.00 1.36 H new ATOM 0 HB3 TYR A 62 9.263 -2.217 -2.533 1.00 1.36 H new ATOM 0 HD1 TYR A 62 10.590 0.033 -2.984 1.00 2.32 H new ATOM 0 HD2 TYR A 62 6.438 -0.480 -3.780 1.00 2.43 H new ATOM 0 HE1 TYR A 62 10.263 2.463 -2.839 1.00 3.05 H new ATOM 0 HE2 TYR A 62 6.112 1.949 -3.646 1.00 3.07 H new ATOM 0 HH TYR A 62 7.071 3.946 -3.432 1.00 4.10 H new ATOM 963 N LYS A 63 8.255 -1.624 -6.573 1.00 0.66 N ATOM 964 CA LYS A 63 7.963 -0.777 -7.721 1.00 0.78 C ATOM 965 C LYS A 63 6.647 -0.047 -7.490 1.00 0.67 C ATOM 966 O LYS A 63 5.724 -0.594 -6.891 1.00 0.54 O ATOM 967 CB LYS A 63 7.892 -1.611 -9.001 1.00 1.11 C ATOM 968 CG LYS A 63 8.784 -1.092 -10.117 1.00 1.28 C ATOM 969 CD LYS A 63 9.966 -2.015 -10.358 1.00 1.83 C ATOM 970 CE LYS A 63 10.978 -1.930 -9.227 1.00 2.36 C ATOM 971 NZ LYS A 63 11.123 -3.228 -8.511 1.00 3.18 N ATOM 0 H LYS A 63 7.539 -2.323 -6.376 1.00 0.66 H new ATOM 0 HA LYS A 63 8.764 -0.047 -7.837 1.00 0.78 H new ATOM 0 HB2 LYS A 63 8.173 -2.639 -8.771 1.00 1.11 H new ATOM 0 HB3 LYS A 63 6.861 -1.634 -9.353 1.00 1.11 H new ATOM 0 HG2 LYS A 63 8.203 -0.996 -11.034 1.00 1.28 H new ATOM 0 HG3 LYS A 63 9.145 -0.095 -9.862 1.00 1.28 H new ATOM 0 HD2 LYS A 63 9.613 -3.042 -10.456 1.00 1.83 H new ATOM 0 HD3 LYS A 63 10.448 -1.752 -11.300 1.00 1.83 H new ATOM 0 HE2 LYS A 63 11.945 -1.627 -9.628 1.00 2.36 H new ATOM 0 HE3 LYS A 63 10.669 -1.159 -8.521 1.00 2.36 H new ATOM 0 HZ1 LYS A 63 11.822 -3.127 -7.748 1.00 3.18 H new ATOM 0 HZ2 LYS A 63 10.206 -3.506 -8.106 1.00 3.18 H new ATOM 0 HZ3 LYS A 63 11.442 -3.959 -9.178 1.00 3.18 H new ATOM 985 N VAL A 64 6.567 1.194 -7.945 1.00 0.81 N ATOM 986 CA VAL A 64 5.358 1.983 -7.755 1.00 0.77 C ATOM 987 C VAL A 64 4.951 2.718 -9.029 1.00 0.82 C ATOM 988 O VAL A 64 5.775 3.358 -9.680 1.00 0.89 O ATOM 989 CB VAL A 64 5.539 3.015 -6.628 1.00 0.85 C ATOM 990 CG1 VAL A 64 6.696 3.950 -6.947 1.00 1.49 C ATOM 991 CG2 VAL A 64 4.253 3.800 -6.406 1.00 1.71 C ATOM 0 H VAL A 64 7.316 1.674 -8.444 1.00 0.81 H new ATOM 0 HA VAL A 64 4.571 1.278 -7.486 1.00 0.77 H new ATOM 0 HB VAL A 64 5.772 2.483 -5.706 1.00 0.85 H new ATOM 0 HG11 VAL A 64 6.811 4.674 -6.141 1.00 1.49 H new ATOM 0 HG12 VAL A 64 7.614 3.371 -7.049 1.00 1.49 H new ATOM 0 HG13 VAL A 64 6.493 4.475 -7.880 1.00 1.49 H new ATOM 0 HG21 VAL A 64 4.402 4.524 -5.605 1.00 1.71 H new ATOM 0 HG22 VAL A 64 3.983 4.324 -7.323 1.00 1.71 H new ATOM 0 HG23 VAL A 64 3.451 3.115 -6.131 1.00 1.71 H new ATOM 1001 N ARG A 65 3.669 2.627 -9.367 1.00 0.82 N ATOM 1002 CA ARG A 65 3.142 3.293 -10.550 1.00 0.92 C ATOM 1003 C ARG A 65 2.950 4.780 -10.282 1.00 1.03 C ATOM 1004 O ARG A 65 2.154 5.168 -9.427 1.00 1.18 O ATOM 1005 CB ARG A 65 1.808 2.670 -10.960 1.00 0.96 C ATOM 1006 CG ARG A 65 1.316 3.127 -12.323 1.00 1.51 C ATOM 1007 CD ARG A 65 1.718 2.151 -13.418 1.00 2.02 C ATOM 1008 NE ARG A 65 0.824 0.998 -13.477 1.00 2.60 N ATOM 1009 CZ ARG A 65 0.692 0.223 -14.549 1.00 3.22 C ATOM 1010 NH1 ARG A 65 1.397 0.477 -15.642 1.00 3.52 N ATOM 1011 NH2 ARG A 65 -0.144 -0.806 -14.529 1.00 3.99 N ATOM 0 H ARG A 65 2.976 2.098 -8.837 1.00 0.82 H new ATOM 0 HA ARG A 65 3.859 3.168 -11.361 1.00 0.92 H new ATOM 0 HB2 ARG A 65 1.910 1.585 -10.965 1.00 0.96 H new ATOM 0 HB3 ARG A 65 1.056 2.916 -10.210 1.00 0.96 H new ATOM 0 HG2 ARG A 65 0.231 3.227 -12.304 1.00 1.51 H new ATOM 0 HG3 ARG A 65 1.723 4.113 -12.546 1.00 1.51 H new ATOM 0 HD2 ARG A 65 1.713 2.663 -14.380 1.00 2.02 H new ATOM 0 HD3 ARG A 65 2.739 1.810 -13.243 1.00 2.02 H new ATOM 0 HE ARG A 65 0.270 0.775 -12.650 1.00 2.60 H new ATOM 0 HH11 ARG A 65 2.041 1.267 -15.661 1.00 3.52 H new ATOM 0 HH12 ARG A 65 1.295 -0.118 -16.464 1.00 3.52 H new ATOM 0 HH21 ARG A 65 -0.688 -1.005 -13.689 1.00 3.99 H new ATOM 0 HH22 ARG A 65 -0.243 -1.399 -15.353 1.00 3.99 H new ATOM 1025 N ASN A 66 3.686 5.611 -11.010 1.00 1.03 N ATOM 1026 CA ASN A 66 3.588 7.054 -10.833 1.00 1.16 C ATOM 1027 C ASN A 66 3.862 7.426 -9.377 1.00 1.03 C ATOM 1028 O ASN A 66 4.519 6.678 -8.653 1.00 1.79 O ATOM 1029 CB ASN A 66 2.203 7.544 -11.257 1.00 1.96 C ATOM 1030 CG ASN A 66 1.767 6.968 -12.592 1.00 2.83 C ATOM 1031 OD1 ASN A 66 0.750 6.281 -12.681 1.00 3.41 O ATOM 1032 ND2 ASN A 66 2.539 7.246 -13.635 1.00 3.48 N ATOM 0 H ASN A 66 4.352 5.314 -11.723 1.00 1.03 H new ATOM 0 HA ASN A 66 4.336 7.538 -11.462 1.00 1.16 H new ATOM 0 HB2 ASN A 66 1.475 7.272 -10.492 1.00 1.96 H new ATOM 0 HB3 ASN A 66 2.209 8.632 -11.319 1.00 1.96 H new ATOM 0 HD21 ASN A 66 2.298 6.886 -14.558 1.00 3.48 H new ATOM 0 HD22 ASN A 66 3.373 7.820 -13.513 1.00 3.48 H new ATOM 1039 N GLN A 67 3.356 8.578 -8.948 1.00 1.15 N ATOM 1040 CA GLN A 67 3.557 9.029 -7.576 1.00 1.99 C ATOM 1041 C GLN A 67 2.373 8.656 -6.678 1.00 1.73 C ATOM 1042 O GLN A 67 2.335 9.043 -5.510 1.00 2.55 O ATOM 1043 CB GLN A 67 3.774 10.543 -7.544 1.00 2.86 C ATOM 1044 CG GLN A 67 5.231 10.944 -7.367 1.00 3.88 C ATOM 1045 CD GLN A 67 5.677 10.896 -5.920 1.00 4.69 C ATOM 1046 OE1 GLN A 67 5.775 9.824 -5.323 1.00 5.12 O ATOM 1047 NE2 GLN A 67 5.951 12.063 -5.347 1.00 5.31 N ATOM 0 H GLN A 67 2.807 9.213 -9.527 1.00 1.15 H new ATOM 0 HA GLN A 67 4.444 8.525 -7.191 1.00 1.99 H new ATOM 0 HB2 GLN A 67 3.396 10.976 -8.470 1.00 2.86 H new ATOM 0 HB3 GLN A 67 3.187 10.969 -6.731 1.00 2.86 H new ATOM 0 HG2 GLN A 67 5.861 10.281 -7.960 1.00 3.88 H new ATOM 0 HG3 GLN A 67 5.376 11.952 -7.755 1.00 3.88 H new ATOM 0 HE21 GLN A 67 5.856 12.928 -5.880 1.00 5.31 H new ATOM 0 HE22 GLN A 67 6.256 12.094 -4.374 1.00 5.31 H new ATOM 1056 N HIS A 68 1.411 7.907 -7.219 1.00 0.89 N ATOM 1057 CA HIS A 68 0.239 7.497 -6.447 1.00 0.62 C ATOM 1058 C HIS A 68 -0.746 6.715 -7.311 1.00 0.68 C ATOM 1059 O HIS A 68 -1.358 7.266 -8.227 1.00 1.37 O ATOM 1060 CB HIS A 68 -0.458 8.728 -5.856 1.00 0.63 C ATOM 1061 CG HIS A 68 -0.848 9.738 -6.889 1.00 1.42 C ATOM 1062 ND1 HIS A 68 0.017 10.705 -7.359 1.00 2.23 N ATOM 1063 CD2 HIS A 68 -2.014 9.926 -7.550 1.00 2.22 C ATOM 1064 CE1 HIS A 68 -0.602 11.443 -8.264 1.00 2.85 C ATOM 1065 NE2 HIS A 68 -1.835 10.990 -8.398 1.00 2.83 N ATOM 0 H HIS A 68 1.420 7.574 -8.183 1.00 0.89 H new ATOM 0 HA HIS A 68 0.579 6.847 -5.640 1.00 0.62 H new ATOM 0 HB2 HIS A 68 -1.349 8.408 -5.315 1.00 0.63 H new ATOM 0 HB3 HIS A 68 0.204 9.198 -5.129 1.00 0.63 H new ATOM 0 HD2 HIS A 68 -2.918 9.346 -7.432 1.00 2.22 H new ATOM 0 HE1 HIS A 68 -0.172 12.275 -8.802 1.00 2.85 H new ATOM 0 HE2 HIS A 68 -2.540 11.369 -9.030 1.00 2.83 H new ATOM 1074 N TRP A 69 -0.901 5.427 -7.010 1.00 0.51 N ATOM 1075 CA TRP A 69 -1.819 4.569 -7.754 1.00 0.45 C ATOM 1076 C TRP A 69 -1.654 3.104 -7.350 1.00 0.37 C ATOM 1077 O TRP A 69 -2.405 2.592 -6.519 1.00 0.44 O ATOM 1078 CB TRP A 69 -1.601 4.723 -9.260 1.00 0.56 C ATOM 1079 CG TRP A 69 -2.748 5.390 -9.958 1.00 0.93 C ATOM 1080 CD1 TRP A 69 -3.660 6.243 -9.404 1.00 1.16 C ATOM 1081 CD2 TRP A 69 -3.108 5.259 -11.338 1.00 1.62 C ATOM 1082 NE1 TRP A 69 -4.564 6.649 -10.355 1.00 1.72 N ATOM 1083 CE2 TRP A 69 -4.246 6.059 -11.550 1.00 2.01 C ATOM 1084 CE3 TRP A 69 -2.577 4.543 -12.414 1.00 2.13 C ATOM 1085 CZ2 TRP A 69 -4.862 6.163 -12.794 1.00 2.74 C ATOM 1086 CZ3 TRP A 69 -3.190 4.646 -13.649 1.00 2.88 C ATOM 1087 CH2 TRP A 69 -4.322 5.451 -13.830 1.00 3.14 C ATOM 0 H TRP A 69 -0.402 4.955 -6.256 1.00 0.51 H new ATOM 0 HA TRP A 69 -2.835 4.881 -7.510 1.00 0.45 H new ATOM 0 HB2 TRP A 69 -0.693 5.302 -9.432 1.00 0.56 H new ATOM 0 HB3 TRP A 69 -1.439 3.739 -9.700 1.00 0.56 H new ATOM 0 HD1 TRP A 69 -3.669 6.553 -8.369 1.00 1.16 H new ATOM 0 HE1 TRP A 69 -5.345 7.286 -10.197 1.00 1.72 H new ATOM 0 HE3 TRP A 69 -1.704 3.921 -12.283 1.00 2.13 H new ATOM 0 HZ2 TRP A 69 -5.735 6.783 -12.936 1.00 2.74 H new ATOM 0 HZ3 TRP A 69 -2.789 4.097 -14.488 1.00 2.88 H new ATOM 0 HH2 TRP A 69 -4.778 5.511 -14.807 1.00 3.14 H new ATOM 1098 N SER A 70 -0.668 2.435 -7.942 1.00 0.35 N ATOM 1099 CA SER A 70 -0.408 1.029 -7.640 1.00 0.33 C ATOM 1100 C SER A 70 1.061 0.812 -7.288 1.00 0.36 C ATOM 1101 O SER A 70 1.930 1.572 -7.714 1.00 0.39 O ATOM 1102 CB SER A 70 -0.796 0.150 -8.830 1.00 0.40 C ATOM 1103 OG SER A 70 0.194 0.194 -9.844 1.00 1.02 O ATOM 0 H SER A 70 -0.037 2.842 -8.632 1.00 0.35 H new ATOM 0 HA SER A 70 -1.015 0.749 -6.779 1.00 0.33 H new ATOM 0 HB2 SER A 70 -0.933 -0.879 -8.496 1.00 0.40 H new ATOM 0 HB3 SER A 70 -1.751 0.484 -9.236 1.00 0.40 H new ATOM 0 HG SER A 70 -0.078 -0.378 -10.592 1.00 1.02 H new ATOM 1109 N LEU A 71 1.335 -0.240 -6.518 1.00 0.38 N ATOM 1110 CA LEU A 71 2.701 -0.565 -6.124 1.00 0.44 C ATOM 1111 C LEU A 71 2.912 -2.076 -6.074 1.00 0.44 C ATOM 1112 O LEU A 71 1.975 -2.832 -5.821 1.00 0.52 O ATOM 1113 CB LEU A 71 3.029 0.057 -4.762 1.00 0.51 C ATOM 1114 CG LEU A 71 2.508 -0.721 -3.552 1.00 0.63 C ATOM 1115 CD1 LEU A 71 3.662 -1.323 -2.765 1.00 0.98 C ATOM 1116 CD2 LEU A 71 1.660 0.174 -2.661 1.00 0.80 C ATOM 0 H LEU A 71 0.628 -0.880 -6.156 1.00 0.38 H new ATOM 0 HA LEU A 71 3.374 -0.149 -6.874 1.00 0.44 H new ATOM 0 HB2 LEU A 71 4.111 0.153 -4.675 1.00 0.51 H new ATOM 0 HB3 LEU A 71 2.616 1.065 -4.731 1.00 0.51 H new ATOM 0 HG LEU A 71 1.879 -1.534 -3.914 1.00 0.63 H new ATOM 0 HD11 LEU A 71 3.271 -1.872 -1.909 1.00 0.98 H new ATOM 0 HD12 LEU A 71 4.224 -2.002 -3.406 1.00 0.98 H new ATOM 0 HD13 LEU A 71 4.319 -0.526 -2.416 1.00 0.98 H new ATOM 0 HD21 LEU A 71 1.300 -0.399 -1.807 1.00 0.80 H new ATOM 0 HD22 LEU A 71 2.262 1.011 -2.308 1.00 0.80 H new ATOM 0 HD23 LEU A 71 0.810 0.552 -3.229 1.00 0.80 H new ATOM 1128 N ILE A 72 4.148 -2.510 -6.284 1.00 0.39 N ATOM 1129 CA ILE A 72 4.472 -3.928 -6.232 1.00 0.39 C ATOM 1130 C ILE A 72 5.581 -4.190 -5.220 1.00 0.36 C ATOM 1131 O ILE A 72 6.721 -3.762 -5.407 1.00 0.38 O ATOM 1132 CB ILE A 72 4.903 -4.469 -7.611 1.00 0.42 C ATOM 1133 CG1 ILE A 72 5.081 -5.987 -7.551 1.00 0.44 C ATOM 1134 CG2 ILE A 72 6.188 -3.796 -8.069 1.00 0.45 C ATOM 1135 CD1 ILE A 72 5.333 -6.620 -8.904 1.00 1.12 C ATOM 0 H ILE A 72 4.940 -1.902 -6.491 1.00 0.39 H new ATOM 0 HA ILE A 72 3.566 -4.450 -5.925 1.00 0.39 H new ATOM 0 HB ILE A 72 4.121 -4.240 -8.336 1.00 0.42 H new ATOM 0 HG12 ILE A 72 5.914 -6.221 -6.888 1.00 0.44 H new ATOM 0 HG13 ILE A 72 4.189 -6.432 -7.111 1.00 0.44 H new ATOM 0 HG21 ILE A 72 6.478 -4.190 -9.043 1.00 0.45 H new ATOM 0 HG22 ILE A 72 6.028 -2.720 -8.145 1.00 0.45 H new ATOM 0 HG23 ILE A 72 6.980 -3.995 -7.347 1.00 0.45 H new ATOM 0 HD11 ILE A 72 5.450 -7.697 -8.786 1.00 1.12 H new ATOM 0 HD12 ILE A 72 4.489 -6.417 -9.564 1.00 1.12 H new ATOM 0 HD13 ILE A 72 6.242 -6.202 -9.338 1.00 1.12 H new ATOM 1147 N MET A 73 5.238 -4.891 -4.142 1.00 0.36 N ATOM 1148 CA MET A 73 6.202 -5.203 -3.092 1.00 0.36 C ATOM 1149 C MET A 73 6.552 -6.687 -3.094 1.00 0.33 C ATOM 1150 O MET A 73 5.738 -7.529 -3.477 1.00 0.43 O ATOM 1151 CB MET A 73 5.645 -4.804 -1.726 1.00 0.43 C ATOM 1152 CG MET A 73 4.231 -5.301 -1.477 1.00 0.83 C ATOM 1153 SD MET A 73 4.029 -6.022 0.162 1.00 1.86 S ATOM 1154 CE MET A 73 2.345 -6.624 0.063 1.00 2.56 C ATOM 0 H MET A 73 4.300 -5.253 -3.973 1.00 0.36 H new ATOM 0 HA MET A 73 7.110 -4.634 -3.289 1.00 0.36 H new ATOM 0 HB2 MET A 73 6.301 -5.194 -0.948 1.00 0.43 H new ATOM 0 HB3 MET A 73 5.660 -3.717 -1.640 1.00 0.43 H new ATOM 0 HG2 MET A 73 3.533 -4.472 -1.594 1.00 0.83 H new ATOM 0 HG3 MET A 73 3.973 -6.044 -2.231 1.00 0.83 H new ATOM 0 HE1 MET A 73 1.825 -6.405 0.995 1.00 2.56 H new ATOM 0 HE2 MET A 73 1.831 -6.133 -0.763 1.00 2.56 H new ATOM 0 HE3 MET A 73 2.353 -7.701 -0.103 1.00 2.56 H new ATOM 1164 N GLU A 74 7.770 -6.998 -2.665 1.00 0.33 N ATOM 1165 CA GLU A 74 8.236 -8.378 -2.615 1.00 0.31 C ATOM 1166 C GLU A 74 8.430 -8.841 -1.175 1.00 0.31 C ATOM 1167 O GLU A 74 9.341 -8.381 -0.486 1.00 0.37 O ATOM 1168 CB GLU A 74 9.550 -8.515 -3.383 1.00 0.37 C ATOM 1169 CG GLU A 74 10.119 -9.923 -3.369 1.00 0.41 C ATOM 1170 CD GLU A 74 10.689 -10.335 -4.713 1.00 0.89 C ATOM 1171 OE1 GLU A 74 10.133 -9.912 -5.747 1.00 1.12 O ATOM 1172 OE2 GLU A 74 11.690 -11.081 -4.730 1.00 1.52 O ATOM 0 H GLU A 74 8.454 -6.311 -2.346 1.00 0.33 H new ATOM 0 HA GLU A 74 7.477 -9.008 -3.079 1.00 0.31 H new ATOM 0 HB2 GLU A 74 9.391 -8.207 -4.416 1.00 0.37 H new ATOM 0 HB3 GLU A 74 10.284 -7.831 -2.956 1.00 0.37 H new ATOM 0 HG2 GLU A 74 10.900 -9.988 -2.612 1.00 0.41 H new ATOM 0 HG3 GLU A 74 9.336 -10.624 -3.080 1.00 0.41 H new ATOM 1179 N SER A 75 7.573 -9.753 -0.725 1.00 0.29 N ATOM 1180 CA SER A 75 7.664 -10.273 0.634 1.00 0.33 C ATOM 1181 C SER A 75 7.788 -11.794 0.631 1.00 0.33 C ATOM 1182 O SER A 75 6.790 -12.509 0.538 1.00 0.38 O ATOM 1183 CB SER A 75 6.438 -9.852 1.444 1.00 0.41 C ATOM 1184 OG SER A 75 5.261 -10.476 0.956 1.00 1.32 O ATOM 0 H SER A 75 6.812 -10.145 -1.279 1.00 0.29 H new ATOM 0 HA SER A 75 8.559 -9.856 1.096 1.00 0.33 H new ATOM 0 HB2 SER A 75 6.584 -10.114 2.492 1.00 0.41 H new ATOM 0 HB3 SER A 75 6.324 -8.769 1.399 1.00 0.41 H new ATOM 0 HG SER A 75 5.407 -11.443 0.889 1.00 1.32 H new ATOM 1190 N VAL A 76 9.020 -12.281 0.746 1.00 0.37 N ATOM 1191 CA VAL A 76 9.275 -13.718 0.767 1.00 0.41 C ATOM 1192 C VAL A 76 9.151 -14.258 2.186 1.00 0.43 C ATOM 1193 O VAL A 76 8.504 -15.278 2.423 1.00 0.46 O ATOM 1194 CB VAL A 76 10.672 -14.058 0.216 1.00 0.48 C ATOM 1195 CG1 VAL A 76 11.757 -13.426 1.074 1.00 1.54 C ATOM 1196 CG2 VAL A 76 10.859 -15.565 0.128 1.00 1.33 C ATOM 0 H VAL A 76 9.856 -11.703 0.826 1.00 0.37 H new ATOM 0 HA VAL A 76 8.529 -14.187 0.126 1.00 0.41 H new ATOM 0 HB VAL A 76 10.755 -13.646 -0.790 1.00 0.48 H new ATOM 0 HG11 VAL A 76 12.736 -13.679 0.667 1.00 1.54 H new ATOM 0 HG12 VAL A 76 11.634 -12.343 1.077 1.00 1.54 H new ATOM 0 HG13 VAL A 76 11.680 -13.803 2.094 1.00 1.54 H new ATOM 0 HG21 VAL A 76 11.852 -15.786 -0.263 1.00 1.33 H new ATOM 0 HG22 VAL A 76 10.754 -16.003 1.121 1.00 1.33 H new ATOM 0 HG23 VAL A 76 10.105 -15.987 -0.536 1.00 1.33 H new ATOM 1206 N VAL A 77 9.775 -13.560 3.130 1.00 0.45 N ATOM 1207 CA VAL A 77 9.730 -13.959 4.531 1.00 0.49 C ATOM 1208 C VAL A 77 8.564 -13.294 5.266 1.00 0.45 C ATOM 1209 O VAL A 77 7.850 -13.953 6.021 1.00 0.47 O ATOM 1210 CB VAL A 77 11.050 -13.629 5.260 1.00 0.57 C ATOM 1211 CG1 VAL A 77 10.991 -14.101 6.704 1.00 0.80 C ATOM 1212 CG2 VAL A 77 12.227 -14.257 4.533 1.00 0.77 C ATOM 0 H VAL A 77 10.318 -12.715 2.949 1.00 0.45 H new ATOM 0 HA VAL A 77 9.585 -15.039 4.541 1.00 0.49 H new ATOM 0 HB VAL A 77 11.188 -12.548 5.261 1.00 0.57 H new ATOM 0 HG11 VAL A 77 11.929 -13.861 7.204 1.00 0.80 H new ATOM 0 HG12 VAL A 77 10.169 -13.602 7.217 1.00 0.80 H new ATOM 0 HG13 VAL A 77 10.833 -15.179 6.728 1.00 0.80 H new ATOM 0 HG21 VAL A 77 13.151 -14.015 5.059 1.00 0.77 H new ATOM 0 HG22 VAL A 77 12.100 -15.339 4.501 1.00 0.77 H new ATOM 0 HG23 VAL A 77 12.276 -13.868 3.516 1.00 0.77 H new ATOM 1222 N PRO A 78 8.340 -11.978 5.056 1.00 0.43 N ATOM 1223 CA PRO A 78 7.240 -11.255 5.706 1.00 0.41 C ATOM 1224 C PRO A 78 5.869 -11.809 5.320 1.00 0.35 C ATOM 1225 O PRO A 78 4.862 -11.481 5.943 1.00 0.34 O ATOM 1226 CB PRO A 78 7.395 -9.815 5.200 1.00 0.42 C ATOM 1227 CG PRO A 78 8.794 -9.730 4.702 1.00 0.48 C ATOM 1228 CD PRO A 78 9.119 -11.094 4.173 1.00 0.46 C ATOM 0 HA PRO A 78 7.290 -11.344 6.791 1.00 0.41 H new ATOM 0 HB2 PRO A 78 6.680 -9.596 4.407 1.00 0.42 H new ATOM 0 HB3 PRO A 78 7.216 -9.095 5.998 1.00 0.42 H new ATOM 0 HG2 PRO A 78 8.887 -8.975 3.921 1.00 0.48 H new ATOM 0 HG3 PRO A 78 9.478 -9.447 5.502 1.00 0.48 H new ATOM 0 HD2 PRO A 78 8.826 -11.204 3.129 1.00 0.46 H new ATOM 0 HD3 PRO A 78 10.187 -11.306 4.228 1.00 0.46 H new ATOM 1236 N SER A 79 5.837 -12.655 4.289 1.00 0.34 N ATOM 1237 CA SER A 79 4.589 -13.250 3.829 1.00 0.34 C ATOM 1238 C SER A 79 3.845 -13.914 4.985 1.00 0.38 C ATOM 1239 O SER A 79 2.628 -14.087 4.934 1.00 0.39 O ATOM 1240 CB SER A 79 4.867 -14.279 2.732 1.00 0.39 C ATOM 1241 OG SER A 79 3.839 -15.253 2.669 1.00 1.13 O ATOM 0 H SER A 79 6.661 -12.941 3.760 1.00 0.34 H new ATOM 0 HA SER A 79 3.963 -12.455 3.425 1.00 0.34 H new ATOM 0 HB2 SER A 79 4.952 -13.774 1.770 1.00 0.39 H new ATOM 0 HB3 SER A 79 5.823 -14.767 2.922 1.00 0.39 H new ATOM 0 HG SER A 79 4.042 -15.897 1.959 1.00 1.13 H new ATOM 1247 N ASP A 80 4.585 -14.280 6.035 1.00 0.43 N ATOM 1248 CA ASP A 80 3.994 -14.924 7.209 1.00 0.50 C ATOM 1249 C ASP A 80 2.698 -14.229 7.627 1.00 0.42 C ATOM 1250 O ASP A 80 1.745 -14.875 8.063 1.00 0.47 O ATOM 1251 CB ASP A 80 4.988 -14.914 8.372 1.00 0.62 C ATOM 1252 CG ASP A 80 4.908 -16.173 9.212 1.00 1.27 C ATOM 1253 OD1 ASP A 80 3.803 -16.745 9.320 1.00 2.02 O ATOM 1254 OD2 ASP A 80 5.949 -16.585 9.764 1.00 1.69 O ATOM 0 H ASP A 80 5.594 -14.141 6.095 1.00 0.43 H new ATOM 0 HA ASP A 80 3.759 -15.955 6.944 1.00 0.50 H new ATOM 0 HB2 ASP A 80 6.000 -14.805 7.981 1.00 0.62 H new ATOM 0 HB3 ASP A 80 4.796 -14.047 9.003 1.00 0.62 H new ATOM 1259 N LYS A 81 2.675 -12.909 7.484 1.00 0.38 N ATOM 1260 CA LYS A 81 1.499 -12.118 7.836 1.00 0.33 C ATOM 1261 C LYS A 81 0.829 -11.580 6.576 1.00 0.26 C ATOM 1262 O LYS A 81 1.405 -10.759 5.862 1.00 0.27 O ATOM 1263 CB LYS A 81 1.898 -10.960 8.751 1.00 0.40 C ATOM 1264 CG LYS A 81 3.257 -10.363 8.417 1.00 0.91 C ATOM 1265 CD LYS A 81 3.493 -9.060 9.163 1.00 1.02 C ATOM 1266 CE LYS A 81 4.869 -8.490 8.861 1.00 0.87 C ATOM 1267 NZ LYS A 81 5.907 -9.020 9.789 1.00 1.23 N ATOM 0 H LYS A 81 3.458 -12.362 7.126 1.00 0.38 H new ATOM 0 HA LYS A 81 0.793 -12.759 8.364 1.00 0.33 H new ATOM 0 HB2 LYS A 81 1.141 -10.179 8.686 1.00 0.40 H new ATOM 0 HB3 LYS A 81 1.907 -11.310 9.783 1.00 0.40 H new ATOM 0 HG2 LYS A 81 4.041 -11.076 8.672 1.00 0.91 H new ATOM 0 HG3 LYS A 81 3.324 -10.186 7.344 1.00 0.91 H new ATOM 0 HD2 LYS A 81 2.728 -8.335 8.884 1.00 1.02 H new ATOM 0 HD3 LYS A 81 3.395 -9.230 10.235 1.00 1.02 H new ATOM 0 HE2 LYS A 81 5.144 -8.730 7.834 1.00 0.87 H new ATOM 0 HE3 LYS A 81 4.836 -7.403 8.936 1.00 0.87 H new ATOM 0 HZ1 LYS A 81 6.831 -8.607 9.549 1.00 1.23 H new ATOM 0 HZ2 LYS A 81 5.659 -8.769 10.767 1.00 1.23 H new ATOM 0 HZ3 LYS A 81 5.957 -10.055 9.699 1.00 1.23 H new ATOM 1281 N GLY A 82 -0.368 -12.078 6.282 1.00 0.24 N ATOM 1282 CA GLY A 82 -1.055 -11.659 5.077 1.00 0.24 C ATOM 1283 C GLY A 82 -2.052 -10.534 5.286 1.00 0.28 C ATOM 1284 O GLY A 82 -2.940 -10.328 4.459 1.00 0.53 O ATOM 0 H GLY A 82 -0.870 -12.759 6.852 1.00 0.24 H new ATOM 0 HA2 GLY A 82 -0.315 -11.341 4.343 1.00 0.24 H new ATOM 0 HA3 GLY A 82 -1.577 -12.517 4.653 1.00 0.24 H new ATOM 1288 N ASN A 83 -1.906 -9.774 6.363 1.00 0.23 N ATOM 1289 CA ASN A 83 -2.802 -8.654 6.602 1.00 0.28 C ATOM 1290 C ASN A 83 -2.114 -7.370 6.161 1.00 0.30 C ATOM 1291 O ASN A 83 -1.141 -6.935 6.778 1.00 0.36 O ATOM 1292 CB ASN A 83 -3.181 -8.572 8.081 1.00 0.40 C ATOM 1293 CG ASN A 83 -4.595 -8.071 8.289 1.00 0.82 C ATOM 1294 OD1 ASN A 83 -5.511 -8.438 7.553 1.00 1.63 O ATOM 1295 ND2 ASN A 83 -4.782 -7.224 9.296 1.00 0.96 N ATOM 0 H ASN A 83 -1.187 -9.910 7.074 1.00 0.23 H new ATOM 0 HA ASN A 83 -3.718 -8.796 6.029 1.00 0.28 H new ATOM 0 HB2 ASN A 83 -3.078 -9.558 8.535 1.00 0.40 H new ATOM 0 HB3 ASN A 83 -2.485 -7.910 8.595 1.00 0.40 H new ATOM 0 HD21 ASN A 83 -5.713 -6.852 9.483 1.00 0.96 H new ATOM 0 HD22 ASN A 83 -3.994 -6.946 9.882 1.00 0.96 H new ATOM 1302 N TYR A 84 -2.603 -6.775 5.079 1.00 0.33 N ATOM 1303 CA TYR A 84 -2.003 -5.554 4.557 1.00 0.40 C ATOM 1304 C TYR A 84 -2.888 -4.346 4.816 1.00 0.35 C ATOM 1305 O TYR A 84 -4.068 -4.339 4.466 1.00 0.44 O ATOM 1306 CB TYR A 84 -1.724 -5.696 3.058 1.00 0.57 C ATOM 1307 CG TYR A 84 -0.807 -6.855 2.724 1.00 1.17 C ATOM 1308 CD1 TYR A 84 0.153 -7.294 3.628 1.00 1.74 C ATOM 1309 CD2 TYR A 84 -0.898 -7.506 1.500 1.00 1.96 C ATOM 1310 CE1 TYR A 84 0.994 -8.347 3.321 1.00 2.46 C ATOM 1311 CE2 TYR A 84 -0.063 -8.562 1.188 1.00 2.76 C ATOM 1312 CZ TYR A 84 0.875 -8.986 2.117 1.00 2.86 C ATOM 1313 OH TYR A 84 1.716 -10.027 1.793 1.00 3.72 O ATOM 0 H TYR A 84 -3.406 -7.115 4.550 1.00 0.33 H new ATOM 0 HA TYR A 84 -1.060 -5.396 5.080 1.00 0.40 H new ATOM 0 HB2 TYR A 84 -2.669 -5.826 2.531 1.00 0.57 H new ATOM 0 HB3 TYR A 84 -1.278 -4.772 2.690 1.00 0.57 H new ATOM 0 HD1 TYR A 84 0.243 -6.804 4.586 1.00 1.74 H new ATOM 0 HD2 TYR A 84 -1.634 -7.181 0.780 1.00 1.96 H new ATOM 0 HE1 TYR A 84 1.744 -8.665 4.030 1.00 2.46 H new ATOM 0 HE2 TYR A 84 -0.140 -9.053 0.229 1.00 2.76 H new ATOM 0 HH TYR A 84 1.262 -10.632 1.170 1.00 3.72 H new ATOM 1323 N THR A 85 -2.305 -3.325 5.431 1.00 0.32 N ATOM 1324 CA THR A 85 -3.036 -2.108 5.737 1.00 0.33 C ATOM 1325 C THR A 85 -2.403 -0.900 5.056 1.00 0.29 C ATOM 1326 O THR A 85 -1.208 -0.643 5.211 1.00 0.31 O ATOM 1327 CB THR A 85 -3.104 -1.853 7.255 1.00 0.45 C ATOM 1328 OG1 THR A 85 -2.125 -2.652 7.931 1.00 1.14 O ATOM 1329 CG2 THR A 85 -4.488 -2.175 7.796 1.00 1.00 C ATOM 0 H THR A 85 -1.329 -3.318 5.726 1.00 0.32 H new ATOM 0 HA THR A 85 -4.048 -2.247 5.358 1.00 0.33 H new ATOM 0 HB THR A 85 -2.897 -0.798 7.433 1.00 0.45 H new ATOM 0 HG1 THR A 85 -1.290 -2.649 7.418 1.00 1.14 H new ATOM 0 HG21 THR A 85 -4.512 -1.987 8.869 1.00 1.00 H new ATOM 0 HG22 THR A 85 -5.228 -1.546 7.301 1.00 1.00 H new ATOM 0 HG23 THR A 85 -4.718 -3.223 7.606 1.00 1.00 H new ATOM 1337 N CYS A 86 -3.212 -0.161 4.305 1.00 0.30 N ATOM 1338 CA CYS A 86 -2.732 1.022 3.602 1.00 0.30 C ATOM 1339 C CYS A 86 -3.103 2.285 4.366 1.00 0.30 C ATOM 1340 O CYS A 86 -4.281 2.608 4.516 1.00 0.31 O ATOM 1341 CB CYS A 86 -3.320 1.089 2.191 1.00 0.36 C ATOM 1342 SG CYS A 86 -2.866 2.596 1.269 1.00 0.65 S ATOM 0 H CYS A 86 -4.203 -0.360 4.168 1.00 0.30 H new ATOM 0 HA CYS A 86 -1.647 0.952 3.532 1.00 0.30 H new ATOM 0 HB2 CYS A 86 -2.987 0.217 1.628 1.00 0.36 H new ATOM 0 HB3 CYS A 86 -4.406 1.030 2.258 1.00 0.36 H new ATOM 1347 N VAL A 87 -2.092 3.007 4.833 1.00 0.29 N ATOM 1348 CA VAL A 87 -2.322 4.244 5.560 1.00 0.30 C ATOM 1349 C VAL A 87 -1.890 5.437 4.722 1.00 0.31 C ATOM 1350 O VAL A 87 -0.697 5.710 4.588 1.00 0.30 O ATOM 1351 CB VAL A 87 -1.561 4.265 6.899 1.00 0.33 C ATOM 1352 CG1 VAL A 87 -2.008 5.444 7.749 1.00 0.94 C ATOM 1353 CG2 VAL A 87 -1.759 2.953 7.645 1.00 0.97 C ATOM 0 H VAL A 87 -1.110 2.757 4.721 1.00 0.29 H new ATOM 0 HA VAL A 87 -3.390 4.305 5.768 1.00 0.30 H new ATOM 0 HB VAL A 87 -0.497 4.381 6.691 1.00 0.33 H new ATOM 0 HG11 VAL A 87 -1.459 5.442 8.691 1.00 0.94 H new ATOM 0 HG12 VAL A 87 -1.809 6.373 7.215 1.00 0.94 H new ATOM 0 HG13 VAL A 87 -3.076 5.363 7.951 1.00 0.94 H new ATOM 0 HG21 VAL A 87 -1.214 2.985 8.589 1.00 0.97 H new ATOM 0 HG22 VAL A 87 -2.820 2.804 7.843 1.00 0.97 H new ATOM 0 HG23 VAL A 87 -1.384 2.129 7.038 1.00 0.97 H new ATOM 1363 N VAL A 88 -2.855 6.146 4.151 1.00 0.32 N ATOM 1364 CA VAL A 88 -2.544 7.302 3.324 1.00 0.33 C ATOM 1365 C VAL A 88 -2.658 8.591 4.122 1.00 0.30 C ATOM 1366 O VAL A 88 -3.744 8.975 4.555 1.00 0.30 O ATOM 1367 CB VAL A 88 -3.473 7.385 2.100 1.00 0.36 C ATOM 1368 CG1 VAL A 88 -4.919 7.573 2.534 1.00 1.45 C ATOM 1369 CG2 VAL A 88 -3.035 8.511 1.175 1.00 1.50 C ATOM 0 H VAL A 88 -3.850 5.943 4.244 1.00 0.32 H new ATOM 0 HA VAL A 88 -1.517 7.179 2.981 1.00 0.33 H new ATOM 0 HB VAL A 88 -3.405 6.446 1.551 1.00 0.36 H new ATOM 0 HG11 VAL A 88 -5.559 7.629 1.653 1.00 1.45 H new ATOM 0 HG12 VAL A 88 -5.226 6.729 3.152 1.00 1.45 H new ATOM 0 HG13 VAL A 88 -5.010 8.495 3.108 1.00 1.45 H new ATOM 0 HG21 VAL A 88 -3.703 8.556 0.315 1.00 1.50 H new ATOM 0 HG22 VAL A 88 -3.072 9.459 1.712 1.00 1.50 H new ATOM 0 HG23 VAL A 88 -2.016 8.327 0.834 1.00 1.50 H new ATOM 1379 N GLU A 89 -1.523 9.246 4.323 1.00 0.32 N ATOM 1380 CA GLU A 89 -1.481 10.486 5.079 1.00 0.32 C ATOM 1381 C GLU A 89 -1.320 11.692 4.163 1.00 0.31 C ATOM 1382 O GLU A 89 -0.725 11.603 3.086 1.00 0.32 O ATOM 1383 CB GLU A 89 -0.344 10.450 6.099 1.00 0.37 C ATOM 1384 CG GLU A 89 -0.550 11.400 7.267 1.00 0.43 C ATOM 1385 CD GLU A 89 0.561 12.426 7.384 1.00 0.83 C ATOM 1386 OE1 GLU A 89 1.743 12.021 7.403 1.00 1.33 O ATOM 1387 OE2 GLU A 89 0.249 13.633 7.455 1.00 1.46 O ATOM 0 H GLU A 89 -0.617 8.936 3.971 1.00 0.32 H new ATOM 0 HA GLU A 89 -2.431 10.585 5.605 1.00 0.32 H new ATOM 0 HB2 GLU A 89 -0.240 9.434 6.481 1.00 0.37 H new ATOM 0 HB3 GLU A 89 0.591 10.699 5.598 1.00 0.37 H new ATOM 0 HG2 GLU A 89 -1.504 11.914 7.149 1.00 0.43 H new ATOM 0 HG3 GLU A 89 -0.609 10.826 8.192 1.00 0.43 H new ATOM 1394 N ASN A 90 -1.830 12.827 4.623 1.00 0.33 N ATOM 1395 CA ASN A 90 -1.733 14.080 3.894 1.00 0.36 C ATOM 1396 C ASN A 90 -1.527 15.220 4.885 1.00 0.43 C ATOM 1397 O ASN A 90 -1.525 14.997 6.096 1.00 0.39 O ATOM 1398 CB ASN A 90 -2.991 14.322 3.060 1.00 0.37 C ATOM 1399 CG ASN A 90 -4.260 14.175 3.875 1.00 0.52 C ATOM 1400 OD1 ASN A 90 -4.758 15.144 4.449 1.00 1.54 O ATOM 1401 ND2 ASN A 90 -4.790 12.959 3.932 1.00 0.86 N ATOM 0 H ASN A 90 -2.323 12.902 5.513 1.00 0.33 H new ATOM 0 HA ASN A 90 -0.884 14.031 3.212 1.00 0.36 H new ATOM 0 HB2 ASN A 90 -2.952 15.323 2.630 1.00 0.37 H new ATOM 0 HB3 ASN A 90 -3.013 13.618 2.228 1.00 0.37 H new ATOM 0 HD21 ASN A 90 -5.644 12.799 4.467 1.00 0.86 H new ATOM 0 HD22 ASN A 90 -4.344 12.185 3.441 1.00 0.86 H new ATOM 1408 N GLU A 91 -1.375 16.438 4.383 1.00 0.57 N ATOM 1409 CA GLU A 91 -1.195 17.587 5.261 1.00 0.66 C ATOM 1410 C GLU A 91 -2.498 17.908 6.002 1.00 0.68 C ATOM 1411 O GLU A 91 -2.496 18.675 6.967 1.00 0.75 O ATOM 1412 CB GLU A 91 -0.712 18.806 4.461 1.00 0.76 C ATOM 1413 CG GLU A 91 -0.806 20.124 5.218 1.00 1.15 C ATOM 1414 CD GLU A 91 -0.325 21.305 4.398 1.00 1.72 C ATOM 1415 OE1 GLU A 91 -0.789 21.457 3.248 1.00 2.34 O ATOM 1416 OE2 GLU A 91 0.517 22.076 4.904 1.00 2.24 O ATOM 0 H GLU A 91 -1.372 16.655 3.386 1.00 0.57 H new ATOM 0 HA GLU A 91 -0.434 17.339 6.000 1.00 0.66 H new ATOM 0 HB2 GLU A 91 0.324 18.644 4.163 1.00 0.76 H new ATOM 0 HB3 GLU A 91 -1.299 18.882 3.546 1.00 0.76 H new ATOM 0 HG2 GLU A 91 -1.840 20.293 5.519 1.00 1.15 H new ATOM 0 HG3 GLU A 91 -0.215 20.057 6.132 1.00 1.15 H new ATOM 1423 N TYR A 92 -3.610 17.336 5.538 1.00 0.64 N ATOM 1424 CA TYR A 92 -4.910 17.584 6.153 1.00 0.68 C ATOM 1425 C TYR A 92 -5.379 16.413 7.023 1.00 0.60 C ATOM 1426 O TYR A 92 -6.421 16.504 7.671 1.00 0.63 O ATOM 1427 CB TYR A 92 -5.952 17.873 5.073 1.00 0.75 C ATOM 1428 CG TYR A 92 -7.273 18.363 5.619 1.00 1.12 C ATOM 1429 CD1 TYR A 92 -7.319 19.376 6.567 1.00 1.64 C ATOM 1430 CD2 TYR A 92 -8.472 17.812 5.187 1.00 1.54 C ATOM 1431 CE1 TYR A 92 -8.527 19.828 7.070 1.00 2.10 C ATOM 1432 CE2 TYR A 92 -9.683 18.257 5.685 1.00 2.05 C ATOM 1433 CZ TYR A 92 -9.706 19.267 6.623 1.00 2.19 C ATOM 1434 OH TYR A 92 -10.908 19.710 7.124 1.00 2.77 O ATOM 0 H TYR A 92 -3.634 16.700 4.741 1.00 0.64 H new ATOM 0 HA TYR A 92 -4.797 18.450 6.805 1.00 0.68 H new ATOM 0 HB2 TYR A 92 -5.553 18.620 4.386 1.00 0.75 H new ATOM 0 HB3 TYR A 92 -6.123 16.966 4.493 1.00 0.75 H new ATOM 0 HD1 TYR A 92 -6.398 19.818 6.918 1.00 1.64 H new ATOM 0 HD2 TYR A 92 -8.459 17.023 4.450 1.00 1.54 H new ATOM 0 HE1 TYR A 92 -8.547 20.616 7.809 1.00 2.10 H new ATOM 0 HE2 TYR A 92 -10.606 17.815 5.341 1.00 2.05 H new ATOM 0 HH TYR A 92 -11.641 19.212 6.704 1.00 2.77 H new ATOM 1444 N GLY A 93 -4.620 15.317 7.047 1.00 0.52 N ATOM 1445 CA GLY A 93 -5.020 14.178 7.860 1.00 0.47 C ATOM 1446 C GLY A 93 -4.473 12.853 7.365 1.00 0.40 C ATOM 1447 O GLY A 93 -3.883 12.777 6.287 1.00 0.40 O ATOM 0 H GLY A 93 -3.750 15.198 6.528 1.00 0.52 H new ATOM 0 HA2 GLY A 93 -4.685 14.339 8.885 1.00 0.47 H new ATOM 0 HA3 GLY A 93 -6.108 14.125 7.885 1.00 0.47 H new ATOM 1451 N SER A 94 -4.680 11.803 8.161 1.00 0.38 N ATOM 1452 CA SER A 94 -4.216 10.464 7.811 1.00 0.34 C ATOM 1453 C SER A 94 -5.342 9.444 7.936 1.00 0.34 C ATOM 1454 O SER A 94 -6.121 9.477 8.888 1.00 0.38 O ATOM 1455 CB SER A 94 -3.038 10.059 8.701 1.00 0.35 C ATOM 1456 OG SER A 94 -3.485 9.373 9.860 1.00 1.04 O ATOM 0 H SER A 94 -5.168 11.857 9.055 1.00 0.38 H new ATOM 0 HA SER A 94 -3.886 10.483 6.772 1.00 0.34 H new ATOM 0 HB2 SER A 94 -2.355 9.422 8.138 1.00 0.35 H new ATOM 0 HB3 SER A 94 -2.477 10.947 8.994 1.00 0.35 H new ATOM 0 HG SER A 94 -2.714 9.124 10.411 1.00 1.04 H new ATOM 1462 N ILE A 95 -5.428 8.546 6.959 1.00 0.32 N ATOM 1463 CA ILE A 95 -6.469 7.522 6.950 1.00 0.34 C ATOM 1464 C ILE A 95 -5.857 6.123 6.930 1.00 0.31 C ATOM 1465 O ILE A 95 -4.730 5.934 6.473 1.00 0.29 O ATOM 1466 CB ILE A 95 -7.425 7.675 5.741 1.00 0.38 C ATOM 1467 CG1 ILE A 95 -7.391 9.110 5.185 1.00 0.41 C ATOM 1468 CG2 ILE A 95 -8.842 7.289 6.147 1.00 0.44 C ATOM 1469 CD1 ILE A 95 -8.506 9.420 4.208 1.00 0.47 C ATOM 0 H ILE A 95 -4.790 8.506 6.164 1.00 0.32 H new ATOM 0 HA ILE A 95 -7.046 7.657 7.865 1.00 0.34 H new ATOM 0 HB ILE A 95 -7.089 7.005 4.949 1.00 0.38 H new ATOM 0 HG12 ILE A 95 -7.445 9.812 6.017 1.00 0.41 H new ATOM 0 HG13 ILE A 95 -6.433 9.275 4.691 1.00 0.41 H new ATOM 0 HG21 ILE A 95 -9.508 7.399 5.292 1.00 0.44 H new ATOM 0 HG22 ILE A 95 -8.854 6.253 6.485 1.00 0.44 H new ATOM 0 HG23 ILE A 95 -9.179 7.938 6.955 1.00 0.44 H new ATOM 0 HD11 ILE A 95 -8.411 10.450 3.863 1.00 0.47 H new ATOM 0 HD12 ILE A 95 -8.441 8.744 3.355 1.00 0.47 H new ATOM 0 HD13 ILE A 95 -9.469 9.290 4.702 1.00 0.47 H new ATOM 1481 N ASN A 96 -6.607 5.146 7.434 1.00 0.34 N ATOM 1482 CA ASN A 96 -6.134 3.762 7.483 1.00 0.34 C ATOM 1483 C ASN A 96 -7.109 2.807 6.794 1.00 0.34 C ATOM 1484 O ASN A 96 -8.325 2.927 6.945 1.00 0.38 O ATOM 1485 CB ASN A 96 -5.927 3.327 8.935 1.00 0.38 C ATOM 1486 CG ASN A 96 -7.186 3.470 9.766 1.00 1.12 C ATOM 1487 OD1 ASN A 96 -7.846 2.483 10.089 1.00 2.04 O ATOM 1488 ND2 ASN A 96 -7.526 4.705 10.116 1.00 1.12 N ATOM 0 H ASN A 96 -7.543 5.285 7.814 1.00 0.34 H new ATOM 0 HA ASN A 96 -5.185 3.720 6.949 1.00 0.34 H new ATOM 0 HB2 ASN A 96 -5.597 2.288 8.957 1.00 0.38 H new ATOM 0 HB3 ASN A 96 -5.131 3.924 9.380 1.00 0.38 H new ATOM 0 HD21 ASN A 96 -8.364 4.864 10.675 1.00 1.12 H new ATOM 0 HD22 ASN A 96 -6.949 5.494 9.826 1.00 1.12 H new ATOM 1495 N HIS A 97 -6.560 1.852 6.047 1.00 0.32 N ATOM 1496 CA HIS A 97 -7.366 0.858 5.340 1.00 0.34 C ATOM 1497 C HIS A 97 -6.774 -0.541 5.509 1.00 0.33 C ATOM 1498 O HIS A 97 -5.573 -0.730 5.337 1.00 0.33 O ATOM 1499 CB HIS A 97 -7.457 1.210 3.854 1.00 0.36 C ATOM 1500 CG HIS A 97 -7.585 2.678 3.592 1.00 0.43 C ATOM 1501 ND1 HIS A 97 -8.732 3.395 3.859 1.00 1.25 N ATOM 1502 CD2 HIS A 97 -6.698 3.569 3.085 1.00 1.06 C ATOM 1503 CE1 HIS A 97 -8.547 4.660 3.528 1.00 1.06 C ATOM 1504 NE2 HIS A 97 -7.322 4.792 3.057 1.00 0.85 N ATOM 0 H HIS A 97 -5.554 1.745 5.915 1.00 0.32 H new ATOM 0 HA HIS A 97 -8.368 0.864 5.770 1.00 0.34 H new ATOM 0 HB2 HIS A 97 -6.569 0.835 3.345 1.00 0.36 H new ATOM 0 HB3 HIS A 97 -8.314 0.696 3.419 1.00 0.36 H new ATOM 0 HD1 HIS A 97 -9.590 3.008 4.251 1.00 1.25 H new ATOM 0 HD2 HIS A 97 -5.689 3.357 2.763 1.00 1.06 H new ATOM 0 HE1 HIS A 97 -9.275 5.452 3.626 1.00 1.06 H new ATOM 1513 N THR A 98 -7.617 -1.519 5.840 1.00 0.35 N ATOM 1514 CA THR A 98 -7.161 -2.899 6.024 1.00 0.35 C ATOM 1515 C THR A 98 -7.603 -3.782 4.859 1.00 0.35 C ATOM 1516 O THR A 98 -8.676 -3.579 4.293 1.00 0.36 O ATOM 1517 CB THR A 98 -7.696 -3.499 7.338 1.00 0.38 C ATOM 1518 OG1 THR A 98 -7.774 -2.484 8.345 1.00 1.33 O ATOM 1519 CG2 THR A 98 -6.799 -4.630 7.820 1.00 1.36 C ATOM 0 H THR A 98 -8.617 -1.383 5.986 1.00 0.35 H new ATOM 0 HA THR A 98 -6.072 -2.869 6.065 1.00 0.35 H new ATOM 0 HB THR A 98 -8.692 -3.900 7.150 1.00 0.38 H new ATOM 0 HG1 THR A 98 -8.117 -2.874 9.176 1.00 1.33 H new ATOM 0 HG21 THR A 98 -7.196 -5.039 8.749 1.00 1.36 H new ATOM 0 HG22 THR A 98 -6.765 -5.415 7.064 1.00 1.36 H new ATOM 0 HG23 THR A 98 -5.793 -4.248 7.992 1.00 1.36 H new ATOM 1527 N TYR A 99 -6.767 -4.757 4.491 1.00 0.39 N ATOM 1528 CA TYR A 99 -7.093 -5.646 3.377 1.00 0.42 C ATOM 1529 C TYR A 99 -6.746 -7.108 3.672 1.00 0.42 C ATOM 1530 O TYR A 99 -5.673 -7.424 4.189 1.00 0.45 O ATOM 1531 CB TYR A 99 -6.404 -5.143 2.115 1.00 0.53 C ATOM 1532 CG TYR A 99 -6.790 -3.714 1.815 1.00 0.57 C ATOM 1533 CD1 TYR A 99 -8.083 -3.403 1.419 1.00 0.73 C ATOM 1534 CD2 TYR A 99 -5.881 -2.673 1.968 1.00 0.85 C ATOM 1535 CE1 TYR A 99 -8.464 -2.098 1.181 1.00 0.81 C ATOM 1536 CE2 TYR A 99 -6.253 -1.363 1.725 1.00 0.96 C ATOM 1537 CZ TYR A 99 -7.545 -1.083 1.335 1.00 0.81 C ATOM 1538 OH TYR A 99 -7.926 0.221 1.110 1.00 0.96 O ATOM 0 H TYR A 99 -5.872 -4.948 4.942 1.00 0.39 H new ATOM 0 HA TYR A 99 -8.172 -5.626 3.226 1.00 0.42 H new ATOM 0 HB2 TYR A 99 -5.323 -5.213 2.235 1.00 0.53 H new ATOM 0 HB3 TYR A 99 -6.673 -5.780 1.272 1.00 0.53 H new ATOM 0 HD1 TYR A 99 -8.805 -4.197 1.295 1.00 0.73 H new ATOM 0 HD2 TYR A 99 -4.870 -2.890 2.281 1.00 0.85 H new ATOM 0 HE1 TYR A 99 -9.476 -1.874 0.876 1.00 0.81 H new ATOM 0 HE2 TYR A 99 -5.535 -0.564 1.840 1.00 0.96 H new ATOM 0 HH TYR A 99 -7.129 0.787 1.041 1.00 0.96 H new ATOM 1548 N HIS A 100 -7.710 -7.977 3.368 1.00 0.41 N ATOM 1549 CA HIS A 100 -7.586 -9.414 3.621 1.00 0.44 C ATOM 1550 C HIS A 100 -6.795 -10.165 2.544 1.00 0.42 C ATOM 1551 O HIS A 100 -7.302 -10.455 1.451 1.00 0.45 O ATOM 1552 CB HIS A 100 -8.974 -10.037 3.761 1.00 0.53 C ATOM 1553 CG HIS A 100 -9.891 -9.255 4.649 1.00 0.82 C ATOM 1554 ND1 HIS A 100 -9.749 -9.204 6.020 1.00 1.39 N ATOM 1555 CD2 HIS A 100 -10.965 -8.485 4.357 1.00 1.62 C ATOM 1556 CE1 HIS A 100 -10.694 -8.439 6.531 1.00 1.53 C ATOM 1557 NE2 HIS A 100 -11.446 -7.990 5.543 1.00 1.70 N ATOM 0 H HIS A 100 -8.596 -7.707 2.941 1.00 0.41 H new ATOM 0 HA HIS A 100 -7.022 -9.513 4.548 1.00 0.44 H new ATOM 0 HB2 HIS A 100 -9.426 -10.125 2.773 1.00 0.53 H new ATOM 0 HB3 HIS A 100 -8.872 -11.048 4.156 1.00 0.53 H new ATOM 0 HD2 HIS A 100 -11.369 -8.295 3.373 1.00 1.62 H new ATOM 0 HE1 HIS A 100 -10.830 -8.217 7.579 1.00 1.53 H new ATOM 0 HE2 HIS A 100 -12.253 -7.375 5.645 1.00 1.70 H new ATOM 1566 N LEU A 101 -5.556 -10.521 2.885 1.00 0.44 N ATOM 1567 CA LEU A 101 -4.703 -11.282 1.984 1.00 0.45 C ATOM 1568 C LEU A 101 -4.205 -12.547 2.681 1.00 0.48 C ATOM 1569 O LEU A 101 -3.722 -12.495 3.810 1.00 0.53 O ATOM 1570 CB LEU A 101 -3.527 -10.434 1.494 1.00 0.51 C ATOM 1571 CG LEU A 101 -3.886 -9.380 0.447 1.00 1.07 C ATOM 1572 CD1 LEU A 101 -3.900 -7.994 1.071 1.00 1.90 C ATOM 1573 CD2 LEU A 101 -2.911 -9.435 -0.720 1.00 1.63 C ATOM 0 H LEU A 101 -5.124 -10.292 3.780 1.00 0.44 H new ATOM 0 HA LEU A 101 -5.290 -11.570 1.112 1.00 0.45 H new ATOM 0 HB2 LEU A 101 -3.076 -9.934 2.351 1.00 0.51 H new ATOM 0 HB3 LEU A 101 -2.769 -11.097 1.076 1.00 0.51 H new ATOM 0 HG LEU A 101 -4.885 -9.595 0.068 1.00 1.07 H new ATOM 0 HD11 LEU A 101 -4.157 -7.256 0.312 1.00 1.90 H new ATOM 0 HD12 LEU A 101 -4.638 -7.963 1.872 1.00 1.90 H new ATOM 0 HD13 LEU A 101 -2.914 -7.768 1.477 1.00 1.90 H new ATOM 0 HD21 LEU A 101 -3.181 -8.678 -1.456 1.00 1.63 H new ATOM 0 HD22 LEU A 101 -1.900 -9.245 -0.359 1.00 1.63 H new ATOM 0 HD23 LEU A 101 -2.952 -10.421 -1.182 1.00 1.63 H new ATOM 1585 N ASP A 102 -4.335 -13.685 2.013 1.00 0.50 N ATOM 1586 CA ASP A 102 -3.904 -14.952 2.590 1.00 0.57 C ATOM 1587 C ASP A 102 -2.700 -15.519 1.846 1.00 0.54 C ATOM 1588 O ASP A 102 -2.575 -15.358 0.632 1.00 0.53 O ATOM 1589 CB ASP A 102 -5.053 -15.962 2.571 1.00 0.65 C ATOM 1590 CG ASP A 102 -5.172 -16.728 3.873 1.00 1.31 C ATOM 1591 OD1 ASP A 102 -4.121 -17.096 4.442 1.00 2.34 O ATOM 1592 OD2 ASP A 102 -6.312 -16.961 4.323 1.00 1.38 O ATOM 0 H ASP A 102 -4.733 -13.758 1.077 1.00 0.50 H new ATOM 0 HA ASP A 102 -3.608 -14.765 3.622 1.00 0.57 H new ATOM 0 HB2 ASP A 102 -5.989 -15.439 2.374 1.00 0.65 H new ATOM 0 HB3 ASP A 102 -4.901 -16.665 1.752 1.00 0.65 H new ATOM 1597 N VAL A 103 -1.820 -16.185 2.586 1.00 0.63 N ATOM 1598 CA VAL A 103 -0.625 -16.781 2.001 1.00 0.68 C ATOM 1599 C VAL A 103 -0.929 -18.158 1.420 1.00 0.66 C ATOM 1600 O VAL A 103 -1.675 -18.940 2.011 1.00 0.75 O ATOM 1601 CB VAL A 103 0.500 -16.915 3.044 1.00 0.89 C ATOM 1602 CG1 VAL A 103 1.754 -17.488 2.405 1.00 1.56 C ATOM 1603 CG2 VAL A 103 0.787 -15.570 3.691 1.00 1.60 C ATOM 0 H VAL A 103 -1.912 -16.326 3.592 1.00 0.63 H new ATOM 0 HA VAL A 103 -0.295 -16.116 1.203 1.00 0.68 H new ATOM 0 HB VAL A 103 0.172 -17.604 3.822 1.00 0.89 H new ATOM 0 HG11 VAL A 103 2.538 -17.575 3.157 1.00 1.56 H new ATOM 0 HG12 VAL A 103 1.535 -18.473 1.993 1.00 1.56 H new ATOM 0 HG13 VAL A 103 2.090 -16.827 1.606 1.00 1.56 H new ATOM 0 HG21 VAL A 103 1.584 -15.682 4.426 1.00 1.60 H new ATOM 0 HG22 VAL A 103 1.096 -14.857 2.927 1.00 1.60 H new ATOM 0 HG23 VAL A 103 -0.113 -15.205 4.186 1.00 1.60 H new ATOM 1613 N VAL A 104 -0.351 -18.447 0.261 1.00 0.66 N ATOM 1614 CA VAL A 104 -0.564 -19.730 -0.399 1.00 0.73 C ATOM 1615 C VAL A 104 0.744 -20.498 -0.544 1.00 0.83 C ATOM 1616 O VAL A 104 1.755 -19.946 -0.979 1.00 0.84 O ATOM 1617 CB VAL A 104 -1.193 -19.549 -1.793 1.00 0.86 C ATOM 1618 CG1 VAL A 104 -1.616 -20.892 -2.366 1.00 1.44 C ATOM 1619 CG2 VAL A 104 -2.374 -18.593 -1.729 1.00 1.27 C ATOM 0 H VAL A 104 0.268 -17.811 -0.242 1.00 0.66 H new ATOM 0 HA VAL A 104 -1.249 -20.297 0.231 1.00 0.73 H new ATOM 0 HB VAL A 104 -0.443 -19.117 -2.455 1.00 0.86 H new ATOM 0 HG11 VAL A 104 -2.058 -20.744 -3.351 1.00 1.44 H new ATOM 0 HG12 VAL A 104 -0.745 -21.541 -2.453 1.00 1.44 H new ATOM 0 HG13 VAL A 104 -2.349 -21.355 -1.705 1.00 1.44 H new ATOM 0 HG21 VAL A 104 -2.804 -18.479 -2.724 1.00 1.27 H new ATOM 0 HG22 VAL A 104 -3.129 -18.992 -1.051 1.00 1.27 H new ATOM 0 HG23 VAL A 104 -2.037 -17.622 -1.366 1.00 1.27 H new