USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=23 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 48 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.21) USER MOD Set 1.2: A 73 MET CE :methyl -170:sc= -1.88 (180deg=-2.54) USER MOD Set 2.1: A 12 THR OG1 : rot -83:sc= 1.19 USER MOD Set 2.2: A 13 ASN : amide:sc= 0.571 K(o=1.8,f=-6.1!) USER MOD Single : A 5 ASN : amide:sc= -0.118 X(o=-0.12,f=-0.6) 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 180:sc= 0.018 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+ -122:sc= 0.0511 (180deg=-0.89) USER MOD Single : A 28 ASN : amide:sc= -1.15 X(o=-1.2,f=-1.1!) USER MOD Single : A 29 THR OG1 : rot -125:sc= -1.2 USER MOD Single : A 31 LYS NZ :NH3+ 154:sc= -0.0272 (180deg=-0.312) USER MOD Single : A 39 ASN : amide:sc= -3.72 K(o=-3.7,f=-2.8) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) 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 49 ASN : amide:sc= -2.09 X(o=-2.1,f=-2.4) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 173:sc= -0.0061 (180deg=-0.128) 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 X(o=0,f=-0.078) USER MOD Single : A 67 GLN : amide:sc= 0.755 K(o=0.75,f=-0.61) USER MOD Single : A 68 HIS : no HE2:sc= -1.18 K(o=-1.2,f=-2.4!) USER MOD Single : A 70 SER OG : rot 180:sc= -0.052 USER MOD Single : A 75 SER OG : rot 21:sc= -0.679 USER MOD Single : A 79 SER OG : rot 160:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -164:sc= -0.211 (180deg=-0.747) USER MOD Single : A 83 ASN : amide:sc= -0.84 K(o=-0.84,f=-1.4!) USER MOD Single : A 84 TYR OH : rot 30:sc= -1.83! USER MOD Single : A 85 THR OG1 : rot 72:sc= 0.375 USER MOD Single : A 90 ASN : amide:sc= -6.86! C(o=-6.9!,f=-18!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= -0.185 USER MOD Single : A 96 ASN : amide:sc= -0.128 X(o=-0.13,f=-0.03) USER MOD Single : A 97 HIS : no HE2:sc= -0.323 K(o=-0.32,f=-1.5) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot -160:sc= -0.615 USER MOD Single : A 100 HIS : no HD1:sc= -0.0135 X(o=-0.013,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 15 N ASN A 5 -0.637 22.243 -3.420 1.00 0.76 N ATOM 16 CA ASN A 5 0.033 21.815 -2.199 1.00 0.53 C ATOM 17 C ASN A 5 -0.412 20.395 -1.832 1.00 0.49 C ATOM 18 O ASN A 5 -0.664 19.578 -2.716 1.00 0.60 O ATOM 19 CB ASN A 5 -0.281 22.802 -1.069 1.00 0.52 C ATOM 20 CG ASN A 5 -0.150 24.248 -1.507 1.00 0.63 C ATOM 21 OD1 ASN A 5 -0.984 24.763 -2.251 1.00 1.19 O ATOM 22 ND2 ASN A 5 0.904 24.910 -1.044 1.00 1.41 N ATOM 0 HA ASN A 5 1.112 21.802 -2.356 1.00 0.53 H new ATOM 0 HB2 ASN A 5 -1.294 22.626 -0.708 1.00 0.52 H new ATOM 0 HB3 ASN A 5 0.392 22.617 -0.232 1.00 0.52 H new ATOM 0 HD21 ASN A 5 1.047 25.886 -1.303 1.00 1.41 H new ATOM 0 HD22 ASN A 5 1.570 24.442 -0.429 1.00 1.41 H new ATOM 29 N LYS A 6 -0.523 20.100 -0.537 1.00 0.45 N ATOM 30 CA LYS A 6 -0.955 18.775 -0.103 1.00 0.49 C ATOM 31 C LYS A 6 -2.444 18.788 0.229 1.00 0.49 C ATOM 32 O LYS A 6 -2.891 19.538 1.096 1.00 0.56 O ATOM 33 CB LYS A 6 -0.150 18.286 1.110 1.00 0.64 C ATOM 34 CG LYS A 6 0.674 19.361 1.809 1.00 1.28 C ATOM 35 CD LYS A 6 1.828 19.833 0.940 1.00 1.76 C ATOM 36 CE LYS A 6 3.168 19.586 1.614 1.00 2.52 C ATOM 37 NZ LYS A 6 3.372 20.476 2.792 1.00 3.06 N ATOM 0 H LYS A 6 -0.322 20.753 0.221 1.00 0.45 H new ATOM 0 HA LYS A 6 -0.775 18.083 -0.925 1.00 0.49 H new ATOM 0 HB2 LYS A 6 -0.839 17.850 1.833 1.00 0.64 H new ATOM 0 HB3 LYS A 6 0.519 17.489 0.786 1.00 0.64 H new ATOM 0 HG2 LYS A 6 0.034 20.208 2.056 1.00 1.28 H new ATOM 0 HG3 LYS A 6 1.062 18.969 2.749 1.00 1.28 H new ATOM 0 HD2 LYS A 6 1.800 19.314 -0.018 1.00 1.76 H new ATOM 0 HD3 LYS A 6 1.716 20.897 0.730 1.00 1.76 H new ATOM 0 HE2 LYS A 6 3.228 18.545 1.931 1.00 2.52 H new ATOM 0 HE3 LYS A 6 3.971 19.747 0.895 1.00 2.52 H new ATOM 0 HZ1 LYS A 6 4.297 20.275 3.223 1.00 3.06 H new ATOM 0 HZ2 LYS A 6 3.341 21.469 2.486 1.00 3.06 H new ATOM 0 HZ3 LYS A 6 2.621 20.305 3.491 1.00 3.06 H new ATOM 51 N ARG A 7 -3.207 17.956 -0.474 1.00 0.50 N ATOM 52 CA ARG A 7 -4.648 17.877 -0.261 1.00 0.52 C ATOM 53 C ARG A 7 -5.131 16.427 -0.305 1.00 0.47 C ATOM 54 O ARG A 7 -4.904 15.713 -1.287 1.00 0.43 O ATOM 55 CB ARG A 7 -5.394 18.708 -1.307 1.00 0.57 C ATOM 56 CG ARG A 7 -5.522 20.177 -0.936 1.00 0.77 C ATOM 57 CD ARG A 7 -4.315 20.972 -1.405 1.00 0.64 C ATOM 58 NE ARG A 7 -4.088 22.161 -0.590 1.00 0.98 N ATOM 59 CZ ARG A 7 -4.785 23.285 -0.718 1.00 1.66 C ATOM 60 NH1 ARG A 7 -5.764 23.365 -1.609 1.00 2.46 N ATOM 61 NH2 ARG A 7 -4.505 24.333 0.047 1.00 2.11 N ATOM 0 H ARG A 7 -2.852 17.328 -1.195 1.00 0.50 H new ATOM 0 HA ARG A 7 -4.861 18.282 0.729 1.00 0.52 H new ATOM 0 HB2 ARG A 7 -4.875 18.627 -2.262 1.00 0.57 H new ATOM 0 HB3 ARG A 7 -6.390 18.289 -1.449 1.00 0.57 H new ATOM 0 HG2 ARG A 7 -6.427 20.589 -1.382 1.00 0.77 H new ATOM 0 HG3 ARG A 7 -5.626 20.274 0.145 1.00 0.77 H new ATOM 0 HD2 ARG A 7 -3.429 20.337 -1.373 1.00 0.64 H new ATOM 0 HD3 ARG A 7 -4.458 21.268 -2.444 1.00 0.64 H new ATOM 0 HE ARG A 7 -3.354 22.127 0.117 1.00 0.98 H new ATOM 0 HH11 ARG A 7 -5.984 22.562 -2.199 1.00 2.46 H new ATOM 0 HH12 ARG A 7 -6.297 24.229 -1.705 1.00 2.46 H new ATOM 0 HH21 ARG A 7 -3.754 24.276 0.735 1.00 2.11 H new ATOM 0 HH22 ARG A 7 -5.041 25.195 -0.053 1.00 2.11 H new ATOM 75 N ALA A 8 -5.791 16.013 0.779 1.00 0.50 N ATOM 76 CA ALA A 8 -6.322 14.656 0.922 1.00 0.47 C ATOM 77 C ALA A 8 -6.821 14.074 -0.403 1.00 0.44 C ATOM 78 O ALA A 8 -7.742 14.615 -1.015 1.00 0.56 O ATOM 79 CB ALA A 8 -7.453 14.651 1.940 1.00 0.54 C ATOM 0 H ALA A 8 -5.973 16.612 1.585 1.00 0.50 H new ATOM 0 HA ALA A 8 -5.501 14.025 1.264 1.00 0.47 H new ATOM 0 HB1 ALA A 8 -7.845 13.639 2.043 1.00 0.54 H new ATOM 0 HB2 ALA A 8 -7.077 14.994 2.904 1.00 0.54 H new ATOM 0 HB3 ALA A 8 -8.248 15.316 1.603 1.00 0.54 H new ATOM 85 N PRO A 9 -6.229 12.954 -0.859 1.00 0.36 N ATOM 86 CA PRO A 9 -6.624 12.299 -2.099 1.00 0.37 C ATOM 87 C PRO A 9 -7.735 11.274 -1.881 1.00 0.37 C ATOM 88 O PRO A 9 -7.614 10.383 -1.040 1.00 0.40 O ATOM 89 CB PRO A 9 -5.335 11.609 -2.524 1.00 0.39 C ATOM 90 CG PRO A 9 -4.671 11.229 -1.241 1.00 0.51 C ATOM 91 CD PRO A 9 -5.126 12.227 -0.199 1.00 0.41 C ATOM 0 HA PRO A 9 -7.026 12.994 -2.836 1.00 0.37 H new ATOM 0 HB2 PRO A 9 -5.539 10.733 -3.140 1.00 0.39 H new ATOM 0 HB3 PRO A 9 -4.705 12.274 -3.115 1.00 0.39 H new ATOM 0 HG2 PRO A 9 -4.945 10.215 -0.950 1.00 0.51 H new ATOM 0 HG3 PRO A 9 -3.586 11.248 -1.347 1.00 0.51 H new ATOM 0 HD2 PRO A 9 -5.464 11.729 0.710 1.00 0.41 H new ATOM 0 HD3 PRO A 9 -4.319 12.901 0.088 1.00 0.41 H new ATOM 99 N TYR A 10 -8.819 11.407 -2.639 1.00 0.38 N ATOM 100 CA TYR A 10 -9.950 10.493 -2.524 1.00 0.41 C ATOM 101 C TYR A 10 -9.717 9.229 -3.345 1.00 0.38 C ATOM 102 O TYR A 10 -9.293 9.291 -4.498 1.00 0.44 O ATOM 103 CB TYR A 10 -11.236 11.181 -2.983 1.00 0.49 C ATOM 104 CG TYR A 10 -11.126 11.840 -4.339 1.00 1.15 C ATOM 105 CD1 TYR A 10 -11.090 11.081 -5.503 1.00 2.02 C ATOM 106 CD2 TYR A 10 -11.055 13.224 -4.456 1.00 1.90 C ATOM 107 CE1 TYR A 10 -10.989 11.684 -6.744 1.00 2.96 C ATOM 108 CE2 TYR A 10 -10.956 13.831 -5.694 1.00 2.78 C ATOM 109 CZ TYR A 10 -10.923 13.058 -6.833 1.00 3.18 C ATOM 110 OH TYR A 10 -10.825 13.660 -8.066 1.00 4.20 O ATOM 0 H TYR A 10 -8.938 12.139 -3.339 1.00 0.38 H new ATOM 0 HA TYR A 10 -10.049 10.210 -1.476 1.00 0.41 H new ATOM 0 HB2 TYR A 10 -12.040 10.446 -3.011 1.00 0.49 H new ATOM 0 HB3 TYR A 10 -11.517 11.933 -2.246 1.00 0.49 H new ATOM 0 HD1 TYR A 10 -11.142 10.004 -5.438 1.00 2.02 H new ATOM 0 HD2 TYR A 10 -11.078 13.834 -3.565 1.00 1.90 H new ATOM 0 HE1 TYR A 10 -10.962 11.081 -7.639 1.00 2.96 H new ATOM 0 HE2 TYR A 10 -10.905 14.907 -5.768 1.00 2.78 H new ATOM 0 HH TYR A 10 -10.790 14.633 -7.953 1.00 4.20 H new ATOM 120 N TRP A 11 -10.002 8.080 -2.738 1.00 0.47 N ATOM 121 CA TRP A 11 -9.828 6.796 -3.409 1.00 0.49 C ATOM 122 C TRP A 11 -10.562 6.775 -4.745 1.00 0.42 C ATOM 123 O TRP A 11 -11.727 7.169 -4.831 1.00 0.45 O ATOM 124 CB TRP A 11 -10.338 5.662 -2.520 1.00 0.60 C ATOM 125 CG TRP A 11 -11.614 5.998 -1.810 1.00 0.83 C ATOM 126 CD1 TRP A 11 -12.871 5.999 -2.340 1.00 1.71 C ATOM 127 CD2 TRP A 11 -11.753 6.388 -0.440 1.00 1.65 C ATOM 128 NE1 TRP A 11 -13.786 6.366 -1.382 1.00 2.26 N ATOM 129 CE2 TRP A 11 -13.124 6.609 -0.207 1.00 2.17 C ATOM 130 CE3 TRP A 11 -10.853 6.569 0.614 1.00 2.60 C ATOM 131 CZ2 TRP A 11 -13.614 7.005 1.037 1.00 3.03 C ATOM 132 CZ3 TRP A 11 -11.339 6.960 1.847 1.00 3.54 C ATOM 133 CH2 TRP A 11 -12.708 7.175 2.049 1.00 3.60 C ATOM 0 H TRP A 11 -10.354 8.012 -1.783 1.00 0.47 H new ATOM 0 HA TRP A 11 -8.764 6.654 -3.597 1.00 0.49 H new ATOM 0 HB2 TRP A 11 -10.493 4.772 -3.130 1.00 0.60 H new ATOM 0 HB3 TRP A 11 -9.574 5.415 -1.783 1.00 0.60 H new ATOM 0 HD1 TRP A 11 -13.112 5.748 -3.362 1.00 1.71 H new ATOM 0 HE1 TRP A 11 -14.793 6.445 -1.523 1.00 2.26 H new ATOM 0 HE3 TRP A 11 -9.796 6.406 0.467 1.00 2.60 H new ATOM 0 HZ2 TRP A 11 -14.669 7.171 1.196 1.00 3.03 H new ATOM 0 HZ3 TRP A 11 -10.652 7.102 2.668 1.00 3.54 H new ATOM 0 HH2 TRP A 11 -13.056 7.482 3.024 1.00 3.60 H new ATOM 144 N THR A 12 -9.878 6.312 -5.785 1.00 0.45 N ATOM 145 CA THR A 12 -10.470 6.239 -7.117 1.00 0.50 C ATOM 146 C THR A 12 -10.814 4.799 -7.489 1.00 0.55 C ATOM 147 O THR A 12 -11.901 4.523 -7.998 1.00 0.64 O ATOM 148 CB THR A 12 -9.531 6.834 -8.193 1.00 0.61 C ATOM 149 OG1 THR A 12 -9.828 6.267 -9.476 1.00 1.28 O ATOM 150 CG2 THR A 12 -8.069 6.582 -7.851 1.00 1.23 C ATOM 0 H THR A 12 -8.914 5.982 -5.733 1.00 0.45 H new ATOM 0 HA THR A 12 -11.385 6.830 -7.086 1.00 0.50 H new ATOM 0 HB THR A 12 -9.697 7.911 -8.222 1.00 0.61 H new ATOM 0 HG1 THR A 12 -9.371 5.405 -9.566 1.00 1.28 H new ATOM 0 HG21 THR A 12 -7.435 7.012 -8.626 1.00 1.23 H new ATOM 0 HG22 THR A 12 -7.835 7.045 -6.892 1.00 1.23 H new ATOM 0 HG23 THR A 12 -7.890 5.509 -7.789 1.00 1.23 H new ATOM 158 N ASN A 13 -9.887 3.883 -7.226 1.00 0.56 N ATOM 159 CA ASN A 13 -10.099 2.471 -7.527 1.00 0.66 C ATOM 160 C ASN A 13 -10.447 1.689 -6.264 1.00 0.63 C ATOM 161 O ASN A 13 -9.749 1.781 -5.255 1.00 0.58 O ATOM 162 CB ASN A 13 -8.853 1.874 -8.183 1.00 0.73 C ATOM 163 CG ASN A 13 -8.432 2.636 -9.425 1.00 1.35 C ATOM 164 OD1 ASN A 13 -8.954 3.712 -9.713 1.00 2.05 O ATOM 165 ND2 ASN A 13 -7.482 2.081 -10.167 1.00 1.96 N ATOM 0 H ASN A 13 -8.982 4.093 -6.805 1.00 0.56 H new ATOM 0 HA ASN A 13 -10.937 2.397 -8.220 1.00 0.66 H new ATOM 0 HB2 ASN A 13 -8.033 1.873 -7.465 1.00 0.73 H new ATOM 0 HB3 ASN A 13 -9.047 0.834 -8.446 1.00 0.73 H new ATOM 0 HD21 ASN A 13 -7.157 2.549 -11.013 1.00 1.96 H new ATOM 0 HD22 ASN A 13 -7.076 1.187 -9.891 1.00 1.96 H new ATOM 172 N THR A 14 -11.527 0.915 -6.329 1.00 0.74 N ATOM 173 CA THR A 14 -11.957 0.112 -5.190 1.00 0.78 C ATOM 174 C THR A 14 -10.954 -0.999 -4.907 1.00 0.76 C ATOM 175 O THR A 14 -10.732 -1.881 -5.743 1.00 0.78 O ATOM 176 CB THR A 14 -13.345 -0.510 -5.431 1.00 0.92 C ATOM 177 OG1 THR A 14 -14.128 0.348 -6.272 1.00 1.06 O ATOM 178 CG2 THR A 14 -14.072 -0.739 -4.115 1.00 1.15 C ATOM 0 H THR A 14 -12.118 0.827 -7.156 1.00 0.74 H new ATOM 0 HA THR A 14 -12.016 0.779 -4.330 1.00 0.78 H new ATOM 0 HB THR A 14 -13.206 -1.473 -5.923 1.00 0.92 H new ATOM 0 HG1 THR A 14 -15.008 -0.056 -6.422 1.00 1.06 H new ATOM 0 HG21 THR A 14 -15.050 -1.179 -4.311 1.00 1.15 H new ATOM 0 HG22 THR A 14 -13.489 -1.415 -3.490 1.00 1.15 H new ATOM 0 HG23 THR A 14 -14.199 0.213 -3.599 1.00 1.15 H new ATOM 186 N GLU A 15 -10.377 -0.987 -3.712 1.00 0.76 N ATOM 187 CA GLU A 15 -9.422 -2.014 -3.319 1.00 0.77 C ATOM 188 C GLU A 15 -10.144 -3.303 -2.936 1.00 0.82 C ATOM 189 O GLU A 15 -9.533 -4.369 -2.854 1.00 0.82 O ATOM 190 CB GLU A 15 -8.579 -1.524 -2.143 1.00 0.79 C ATOM 191 CG GLU A 15 -9.406 -1.075 -0.948 1.00 1.35 C ATOM 192 CD GLU A 15 -8.961 0.265 -0.400 1.00 1.75 C ATOM 193 OE1 GLU A 15 -7.767 0.602 -0.550 1.00 2.06 O ATOM 194 OE2 GLU A 15 -9.805 0.980 0.180 1.00 2.50 O ATOM 0 H GLU A 15 -10.554 -0.279 -3.000 1.00 0.76 H new ATOM 0 HA GLU A 15 -8.770 -2.219 -4.168 1.00 0.77 H new ATOM 0 HB2 GLU A 15 -7.907 -2.323 -1.830 1.00 0.79 H new ATOM 0 HB3 GLU A 15 -7.955 -0.694 -2.475 1.00 0.79 H new ATOM 0 HG2 GLU A 15 -10.455 -1.014 -1.239 1.00 1.35 H new ATOM 0 HG3 GLU A 15 -9.337 -1.826 -0.161 1.00 1.35 H new ATOM 201 N LYS A 16 -11.454 -3.202 -2.727 1.00 0.88 N ATOM 202 CA LYS A 16 -12.256 -4.359 -2.379 1.00 0.95 C ATOM 203 C LYS A 16 -12.388 -5.298 -3.576 1.00 0.98 C ATOM 204 O LYS A 16 -12.793 -6.450 -3.424 1.00 1.01 O ATOM 205 CB LYS A 16 -13.641 -3.922 -1.901 1.00 1.04 C ATOM 206 CG LYS A 16 -14.405 -5.015 -1.174 1.00 1.44 C ATOM 207 CD LYS A 16 -14.834 -4.565 0.212 1.00 1.61 C ATOM 208 CE LYS A 16 -15.785 -3.381 0.140 1.00 2.37 C ATOM 209 NZ LYS A 16 -17.209 -3.803 0.256 1.00 2.83 N ATOM 0 H LYS A 16 -11.977 -2.329 -2.794 1.00 0.88 H new ATOM 0 HA LYS A 16 -11.756 -4.892 -1.570 1.00 0.95 H new ATOM 0 HB2 LYS A 16 -13.534 -3.063 -1.239 1.00 1.04 H new ATOM 0 HB3 LYS A 16 -14.225 -3.591 -2.760 1.00 1.04 H new ATOM 0 HG2 LYS A 16 -15.284 -5.295 -1.755 1.00 1.44 H new ATOM 0 HG3 LYS A 16 -13.780 -5.905 -1.092 1.00 1.44 H new ATOM 0 HD2 LYS A 16 -15.318 -5.392 0.731 1.00 1.61 H new ATOM 0 HD3 LYS A 16 -13.955 -4.293 0.796 1.00 1.61 H new ATOM 0 HE2 LYS A 16 -15.549 -2.677 0.938 1.00 2.37 H new ATOM 0 HE3 LYS A 16 -15.638 -2.855 -0.803 1.00 2.37 H new ATOM 0 HZ1 LYS A 16 -17.824 -2.966 0.202 1.00 2.83 H new ATOM 0 HZ2 LYS A 16 -17.442 -4.455 -0.520 1.00 2.83 H new ATOM 0 HZ3 LYS A 16 -17.356 -4.283 1.167 1.00 2.83 H new ATOM 223 N MET A 17 -12.048 -4.802 -4.771 1.00 0.98 N ATOM 224 CA MET A 17 -12.145 -5.617 -5.973 1.00 1.04 C ATOM 225 C MET A 17 -10.784 -5.792 -6.639 1.00 1.03 C ATOM 226 O MET A 17 -10.708 -6.068 -7.837 1.00 1.17 O ATOM 227 CB MET A 17 -13.130 -4.989 -6.960 1.00 1.21 C ATOM 228 CG MET A 17 -14.479 -4.660 -6.346 1.00 1.44 C ATOM 229 SD MET A 17 -15.437 -6.133 -5.938 1.00 1.83 S ATOM 230 CE MET A 17 -17.105 -5.491 -6.036 1.00 2.16 C ATOM 0 H MET A 17 -11.708 -3.853 -4.925 1.00 0.98 H new ATOM 0 HA MET A 17 -12.507 -6.602 -5.678 1.00 1.04 H new ATOM 0 HB2 MET A 17 -12.693 -4.077 -7.366 1.00 1.21 H new ATOM 0 HB3 MET A 17 -13.278 -5.672 -7.797 1.00 1.21 H new ATOM 0 HG2 MET A 17 -14.328 -4.068 -5.443 1.00 1.44 H new ATOM 0 HG3 MET A 17 -15.048 -4.042 -7.040 1.00 1.44 H new ATOM 0 HE1 MET A 17 -17.815 -6.286 -5.808 1.00 2.16 H new ATOM 0 HE2 MET A 17 -17.226 -4.680 -5.318 1.00 2.16 H new ATOM 0 HE3 MET A 17 -17.292 -5.115 -7.042 1.00 2.16 H new ATOM 240 N GLU A 18 -9.707 -5.638 -5.869 1.00 0.95 N ATOM 241 CA GLU A 18 -8.367 -5.793 -6.423 1.00 1.06 C ATOM 242 C GLU A 18 -7.280 -5.553 -5.376 1.00 0.96 C ATOM 243 O GLU A 18 -6.211 -5.034 -5.699 1.00 1.57 O ATOM 244 CB GLU A 18 -8.168 -4.833 -7.599 1.00 1.43 C ATOM 245 CG GLU A 18 -8.474 -3.383 -7.263 1.00 1.29 C ATOM 246 CD GLU A 18 -8.047 -2.428 -8.362 1.00 2.13 C ATOM 247 OE1 GLU A 18 -8.784 -2.304 -9.361 1.00 2.88 O ATOM 248 OE2 GLU A 18 -6.974 -1.805 -8.220 1.00 2.56 O ATOM 0 H GLU A 18 -9.736 -5.410 -4.875 1.00 0.95 H new ATOM 0 HA GLU A 18 -8.277 -6.823 -6.767 1.00 1.06 H new ATOM 0 HB2 GLU A 18 -7.137 -4.906 -7.946 1.00 1.43 H new ATOM 0 HB3 GLU A 18 -8.806 -5.148 -8.425 1.00 1.43 H new ATOM 0 HG2 GLU A 18 -9.544 -3.273 -7.086 1.00 1.29 H new ATOM 0 HG3 GLU A 18 -7.968 -3.114 -6.336 1.00 1.29 H new ATOM 255 N LYS A 19 -7.540 -5.935 -4.128 1.00 0.84 N ATOM 256 CA LYS A 19 -6.549 -5.751 -3.072 1.00 1.08 C ATOM 257 C LYS A 19 -6.760 -6.723 -1.911 1.00 0.87 C ATOM 258 O LYS A 19 -5.798 -7.268 -1.374 1.00 0.87 O ATOM 259 CB LYS A 19 -6.573 -4.312 -2.557 1.00 1.66 C ATOM 260 CG LYS A 19 -5.207 -3.641 -2.563 1.00 2.57 C ATOM 261 CD LYS A 19 -4.153 -4.493 -1.870 1.00 2.87 C ATOM 262 CE LYS A 19 -4.383 -4.557 -0.371 1.00 3.55 C ATOM 263 NZ LYS A 19 -3.289 -5.284 0.326 1.00 4.14 N ATOM 0 H LYS A 19 -8.414 -6.367 -3.827 1.00 0.84 H new ATOM 0 HA LYS A 19 -5.573 -5.962 -3.509 1.00 1.08 H new ATOM 0 HB2 LYS A 19 -7.259 -3.727 -3.170 1.00 1.66 H new ATOM 0 HB3 LYS A 19 -6.968 -4.305 -1.541 1.00 1.66 H new ATOM 0 HG2 LYS A 19 -4.901 -3.450 -3.592 1.00 2.57 H new ATOM 0 HG3 LYS A 19 -5.276 -2.673 -2.066 1.00 2.57 H new ATOM 0 HD2 LYS A 19 -4.169 -5.501 -2.284 1.00 2.87 H new ATOM 0 HD3 LYS A 19 -3.163 -4.082 -2.070 1.00 2.87 H new ATOM 0 HE2 LYS A 19 -4.459 -3.546 0.028 1.00 3.55 H new ATOM 0 HE3 LYS A 19 -5.333 -5.051 -0.170 1.00 3.55 H new ATOM 0 HZ1 LYS A 19 -3.686 -6.090 0.850 1.00 4.14 H new ATOM 0 HZ2 LYS A 19 -2.602 -5.630 -0.373 1.00 4.14 H new ATOM 0 HZ3 LYS A 19 -2.813 -4.641 0.990 1.00 4.14 H new ATOM 277 N ARG A 20 -8.016 -6.941 -1.525 1.00 0.98 N ATOM 278 CA ARG A 20 -8.321 -7.853 -0.420 1.00 0.92 C ATOM 279 C ARG A 20 -8.381 -9.301 -0.901 1.00 0.94 C ATOM 280 O ARG A 20 -9.367 -10.003 -0.673 1.00 1.30 O ATOM 281 CB ARG A 20 -9.641 -7.468 0.247 1.00 0.95 C ATOM 282 CG ARG A 20 -10.845 -7.550 -0.679 1.00 1.64 C ATOM 283 CD ARG A 20 -12.141 -7.645 0.107 1.00 2.15 C ATOM 284 NE ARG A 20 -12.258 -6.578 1.098 1.00 2.67 N ATOM 285 CZ ARG A 20 -13.287 -6.450 1.928 1.00 3.29 C ATOM 286 NH1 ARG A 20 -14.287 -7.322 1.886 1.00 3.51 N ATOM 287 NH2 ARG A 20 -13.319 -5.453 2.801 1.00 4.11 N ATOM 0 H ARG A 20 -8.832 -6.505 -1.954 1.00 0.98 H new ATOM 0 HA ARG A 20 -7.518 -7.768 0.312 1.00 0.92 H new ATOM 0 HB2 ARG A 20 -9.808 -8.121 1.104 1.00 0.95 H new ATOM 0 HB3 ARG A 20 -9.560 -6.452 0.632 1.00 0.95 H new ATOM 0 HG2 ARG A 20 -10.872 -6.671 -1.323 1.00 1.64 H new ATOM 0 HG3 ARG A 20 -10.747 -8.419 -1.330 1.00 1.64 H new ATOM 0 HD2 ARG A 20 -12.986 -7.597 -0.580 1.00 2.15 H new ATOM 0 HD3 ARG A 20 -12.192 -8.612 0.607 1.00 2.15 H new ATOM 0 HE ARG A 20 -11.506 -5.891 1.156 1.00 2.67 H new ATOM 0 HH11 ARG A 20 -14.265 -8.091 1.216 1.00 3.51 H new ATOM 0 HH12 ARG A 20 -15.077 -7.223 2.524 1.00 3.51 H new ATOM 0 HH21 ARG A 20 -12.552 -4.781 2.837 1.00 4.11 H new ATOM 0 HH22 ARG A 20 -14.111 -5.357 3.437 1.00 4.11 H new ATOM 348 N VAL A 24 -2.722 -15.452 -1.797 1.00 0.78 N ATOM 349 CA VAL A 24 -1.430 -14.876 -2.153 1.00 0.74 C ATOM 350 C VAL A 24 -0.394 -15.971 -2.428 1.00 0.68 C ATOM 351 O VAL A 24 -0.240 -16.901 -1.637 1.00 0.77 O ATOM 352 CB VAL A 24 -0.904 -13.927 -1.050 1.00 0.81 C ATOM 353 CG1 VAL A 24 -0.406 -14.701 0.164 1.00 1.32 C ATOM 354 CG2 VAL A 24 0.194 -13.030 -1.602 1.00 1.30 C ATOM 0 HA VAL A 24 -1.583 -14.295 -3.063 1.00 0.74 H new ATOM 0 HB VAL A 24 -1.736 -13.303 -0.723 1.00 0.81 H new ATOM 0 HG11 VAL A 24 -0.044 -14.002 0.918 1.00 1.32 H new ATOM 0 HG12 VAL A 24 -1.223 -15.292 0.579 1.00 1.32 H new ATOM 0 HG13 VAL A 24 0.406 -15.364 -0.135 1.00 1.32 H new ATOM 0 HG21 VAL A 24 0.554 -12.368 -0.814 1.00 1.30 H new ATOM 0 HG22 VAL A 24 1.018 -13.645 -1.964 1.00 1.30 H new ATOM 0 HG23 VAL A 24 -0.202 -12.434 -2.424 1.00 1.30 H new ATOM 364 N PRO A 25 0.331 -15.877 -3.557 1.00 0.61 N ATOM 365 CA PRO A 25 1.349 -16.868 -3.923 1.00 0.63 C ATOM 366 C PRO A 25 2.601 -16.764 -3.056 1.00 0.57 C ATOM 367 O PRO A 25 3.195 -15.692 -2.934 1.00 0.52 O ATOM 368 CB PRO A 25 1.673 -16.520 -5.377 1.00 0.72 C ATOM 369 CG PRO A 25 1.360 -15.069 -5.501 1.00 0.71 C ATOM 370 CD PRO A 25 0.214 -14.806 -4.563 1.00 0.65 C ATOM 0 HA PRO A 25 0.994 -17.889 -3.783 1.00 0.63 H new ATOM 0 HB2 PRO A 25 2.719 -16.720 -5.608 1.00 0.72 H new ATOM 0 HB3 PRO A 25 1.075 -17.114 -6.068 1.00 0.72 H new ATOM 0 HG2 PRO A 25 2.225 -14.460 -5.239 1.00 0.71 H new ATOM 0 HG3 PRO A 25 1.090 -14.815 -6.526 1.00 0.71 H new ATOM 0 HD2 PRO A 25 0.289 -13.819 -4.107 1.00 0.65 H new ATOM 0 HD3 PRO A 25 -0.744 -14.846 -5.081 1.00 0.65 H new ATOM 378 N ALA A 26 2.995 -17.882 -2.454 1.00 0.61 N ATOM 379 CA ALA A 26 4.176 -17.915 -1.597 1.00 0.60 C ATOM 380 C ALA A 26 5.453 -17.716 -2.406 1.00 0.54 C ATOM 381 O ALA A 26 5.575 -18.210 -3.527 1.00 0.58 O ATOM 382 CB ALA A 26 4.233 -19.229 -0.834 1.00 0.71 C ATOM 0 H ALA A 26 2.514 -18.777 -2.544 1.00 0.61 H new ATOM 0 HA ALA A 26 4.100 -17.093 -0.885 1.00 0.60 H new ATOM 0 HB1 ALA A 26 5.118 -19.242 -0.198 1.00 0.71 H new ATOM 0 HB2 ALA A 26 3.341 -19.330 -0.216 1.00 0.71 H new ATOM 0 HB3 ALA A 26 4.281 -20.058 -1.540 1.00 0.71 H new ATOM 388 N ALA A 27 6.405 -16.985 -1.830 1.00 0.50 N ATOM 389 CA ALA A 27 7.675 -16.718 -2.497 1.00 0.48 C ATOM 390 C ALA A 27 7.478 -15.825 -3.716 1.00 0.43 C ATOM 391 O ALA A 27 8.285 -15.838 -4.645 1.00 0.46 O ATOM 392 CB ALA A 27 8.346 -18.023 -2.897 1.00 0.55 C ATOM 0 H ALA A 27 6.320 -16.568 -0.903 1.00 0.50 H new ATOM 0 HA ALA A 27 8.322 -16.191 -1.795 1.00 0.48 H new ATOM 0 HB1 ALA A 27 9.292 -17.808 -3.394 1.00 0.55 H new ATOM 0 HB2 ALA A 27 8.531 -18.624 -2.007 1.00 0.55 H new ATOM 0 HB3 ALA A 27 7.696 -18.573 -3.578 1.00 0.55 H new ATOM 398 N ASN A 28 6.396 -15.053 -3.706 1.00 0.39 N ATOM 399 CA ASN A 28 6.084 -14.154 -4.811 1.00 0.36 C ATOM 400 C ASN A 28 5.946 -12.718 -4.316 1.00 0.30 C ATOM 401 O ASN A 28 5.881 -12.471 -3.111 1.00 0.29 O ATOM 402 CB ASN A 28 4.796 -14.597 -5.504 1.00 0.40 C ATOM 403 CG ASN A 28 5.004 -15.814 -6.384 1.00 0.77 C ATOM 404 OD1 ASN A 28 4.994 -16.948 -5.907 1.00 1.42 O ATOM 405 ND2 ASN A 28 5.195 -15.584 -7.678 1.00 1.36 N ATOM 0 H ASN A 28 5.719 -15.032 -2.943 1.00 0.39 H new ATOM 0 HA ASN A 28 6.904 -14.194 -5.528 1.00 0.36 H new ATOM 0 HB2 ASN A 28 4.040 -14.821 -4.751 1.00 0.40 H new ATOM 0 HB3 ASN A 28 4.411 -13.776 -6.109 1.00 0.40 H new ATOM 0 HD21 ASN A 28 5.341 -16.364 -8.319 1.00 1.36 H new ATOM 0 HD22 ASN A 28 5.196 -14.627 -8.031 1.00 1.36 H new ATOM 412 N THR A 29 5.902 -11.774 -5.250 1.00 0.30 N ATOM 413 CA THR A 29 5.774 -10.365 -4.901 1.00 0.28 C ATOM 414 C THR A 29 4.326 -10.016 -4.581 1.00 0.30 C ATOM 415 O THR A 29 3.399 -10.543 -5.198 1.00 0.33 O ATOM 416 CB THR A 29 6.267 -9.451 -6.039 1.00 0.32 C ATOM 417 OG1 THR A 29 5.258 -9.339 -7.050 1.00 0.96 O ATOM 418 CG2 THR A 29 7.548 -9.993 -6.652 1.00 0.92 C ATOM 0 H THR A 29 5.953 -11.959 -6.252 1.00 0.30 H new ATOM 0 HA THR A 29 6.396 -10.199 -4.021 1.00 0.28 H new ATOM 0 HB THR A 29 6.472 -8.466 -5.620 1.00 0.32 H new ATOM 0 HG1 THR A 29 5.635 -9.593 -7.918 1.00 0.96 H new ATOM 0 HG21 THR A 29 7.877 -9.331 -7.453 1.00 0.92 H new ATOM 0 HG22 THR A 29 8.322 -10.049 -5.887 1.00 0.92 H new ATOM 0 HG23 THR A 29 7.365 -10.989 -7.056 1.00 0.92 H new ATOM 426 N VAL A 30 4.139 -9.134 -3.607 1.00 0.33 N ATOM 427 CA VAL A 30 2.802 -8.728 -3.196 1.00 0.39 C ATOM 428 C VAL A 30 2.372 -7.429 -3.867 1.00 0.35 C ATOM 429 O VAL A 30 3.050 -6.405 -3.765 1.00 0.35 O ATOM 430 CB VAL A 30 2.714 -8.552 -1.671 1.00 0.47 C ATOM 431 CG1 VAL A 30 1.262 -8.507 -1.226 1.00 0.56 C ATOM 432 CG2 VAL A 30 3.466 -9.667 -0.959 1.00 0.57 C ATOM 0 H VAL A 30 4.895 -8.687 -3.088 1.00 0.33 H new ATOM 0 HA VAL A 30 2.130 -9.527 -3.509 1.00 0.39 H new ATOM 0 HB VAL A 30 3.182 -7.605 -1.403 1.00 0.47 H new ATOM 0 HG11 VAL A 30 1.217 -8.382 -0.144 1.00 0.56 H new ATOM 0 HG12 VAL A 30 0.759 -7.669 -1.709 1.00 0.56 H new ATOM 0 HG13 VAL A 30 0.767 -9.437 -1.505 1.00 0.56 H new ATOM 0 HG21 VAL A 30 3.392 -9.525 0.119 1.00 0.57 H new ATOM 0 HG22 VAL A 30 3.031 -10.629 -1.229 1.00 0.57 H new ATOM 0 HG23 VAL A 30 4.514 -9.647 -1.257 1.00 0.57 H new ATOM 442 N LYS A 31 1.229 -7.480 -4.542 1.00 0.34 N ATOM 443 CA LYS A 31 0.685 -6.311 -5.221 1.00 0.33 C ATOM 444 C LYS A 31 -0.154 -5.484 -4.251 1.00 0.33 C ATOM 445 O LYS A 31 -1.151 -5.965 -3.712 1.00 0.38 O ATOM 446 CB LYS A 31 -0.159 -6.741 -6.431 1.00 0.38 C ATOM 447 CG LYS A 31 -1.080 -5.656 -6.973 1.00 0.60 C ATOM 448 CD LYS A 31 -2.469 -5.752 -6.360 1.00 0.82 C ATOM 449 CE LYS A 31 -3.542 -5.881 -7.428 1.00 1.34 C ATOM 450 NZ LYS A 31 -3.360 -7.105 -8.256 1.00 1.98 N ATOM 0 H LYS A 31 0.660 -8.322 -4.633 1.00 0.34 H new ATOM 0 HA LYS A 31 1.511 -5.696 -5.579 1.00 0.33 H new ATOM 0 HB2 LYS A 31 0.510 -7.065 -7.229 1.00 0.38 H new ATOM 0 HB3 LYS A 31 -0.761 -7.605 -6.150 1.00 0.38 H new ATOM 0 HG2 LYS A 31 -0.654 -4.675 -6.761 1.00 0.60 H new ATOM 0 HG3 LYS A 31 -1.152 -5.745 -8.057 1.00 0.60 H new ATOM 0 HD2 LYS A 31 -2.514 -6.612 -5.692 1.00 0.82 H new ATOM 0 HD3 LYS A 31 -2.662 -4.867 -5.754 1.00 0.82 H new ATOM 0 HE2 LYS A 31 -4.524 -5.906 -6.955 1.00 1.34 H new ATOM 0 HE3 LYS A 31 -3.521 -5.001 -8.071 1.00 1.34 H new ATOM 0 HZ1 LYS A 31 -4.278 -7.400 -8.645 1.00 1.98 H new ATOM 0 HZ2 LYS A 31 -2.702 -6.902 -9.036 1.00 1.98 H new ATOM 0 HZ3 LYS A 31 -2.972 -7.869 -7.666 1.00 1.98 H new ATOM 464 N PHE A 32 0.253 -4.237 -4.034 1.00 0.31 N ATOM 465 CA PHE A 32 -0.471 -3.354 -3.130 1.00 0.35 C ATOM 466 C PHE A 32 -1.035 -2.155 -3.885 1.00 0.32 C ATOM 467 O PHE A 32 -0.293 -1.376 -4.482 1.00 0.32 O ATOM 468 CB PHE A 32 0.454 -2.876 -2.007 1.00 0.44 C ATOM 469 CG PHE A 32 -0.244 -2.678 -0.690 1.00 0.90 C ATOM 470 CD1 PHE A 32 -1.581 -2.317 -0.647 1.00 1.64 C ATOM 471 CD2 PHE A 32 0.436 -2.854 0.505 1.00 1.21 C ATOM 472 CE1 PHE A 32 -2.228 -2.135 0.560 1.00 2.28 C ATOM 473 CE2 PHE A 32 -0.205 -2.673 1.717 1.00 1.91 C ATOM 474 CZ PHE A 32 -1.529 -2.311 1.749 1.00 2.35 C ATOM 0 H PHE A 32 1.075 -3.818 -4.469 1.00 0.31 H new ATOM 0 HA PHE A 32 -1.301 -3.912 -2.696 1.00 0.35 H new ATOM 0 HB2 PHE A 32 1.257 -3.601 -1.877 1.00 0.44 H new ATOM 0 HB3 PHE A 32 0.919 -1.937 -2.306 1.00 0.44 H new ATOM 0 HD1 PHE A 32 -2.125 -2.176 -1.569 1.00 1.64 H new ATOM 0 HD2 PHE A 32 1.478 -3.136 0.489 1.00 1.21 H new ATOM 0 HE1 PHE A 32 -3.272 -1.857 0.580 1.00 2.28 H new ATOM 0 HE2 PHE A 32 0.337 -2.817 2.640 1.00 1.91 H new ATOM 0 HZ PHE A 32 -2.027 -2.163 2.696 1.00 2.35 H new ATOM 484 N ARG A 33 -2.354 -2.024 -3.860 1.00 0.36 N ATOM 485 CA ARG A 33 -3.027 -0.930 -4.546 1.00 0.39 C ATOM 486 C ARG A 33 -3.581 0.082 -3.550 1.00 0.40 C ATOM 487 O ARG A 33 -4.266 -0.280 -2.594 1.00 0.43 O ATOM 488 CB ARG A 33 -4.152 -1.474 -5.427 1.00 0.47 C ATOM 489 CG ARG A 33 -3.850 -1.404 -6.915 1.00 0.80 C ATOM 490 CD ARG A 33 -2.653 -2.266 -7.285 1.00 0.53 C ATOM 491 NE ARG A 33 -2.655 -2.625 -8.699 1.00 1.09 N ATOM 492 CZ ARG A 33 -1.578 -3.045 -9.357 1.00 1.56 C ATOM 493 NH1 ARG A 33 -0.414 -3.148 -8.731 1.00 2.10 N ATOM 494 NH2 ARG A 33 -1.665 -3.357 -10.642 1.00 2.12 N ATOM 0 H ARG A 33 -2.980 -2.663 -3.371 1.00 0.36 H new ATOM 0 HA ARG A 33 -2.296 -0.422 -5.175 1.00 0.39 H new ATOM 0 HB2 ARG A 33 -4.347 -2.511 -5.153 1.00 0.47 H new ATOM 0 HB3 ARG A 33 -5.064 -0.913 -5.224 1.00 0.47 H new ATOM 0 HG2 ARG A 33 -4.723 -1.731 -7.480 1.00 0.80 H new ATOM 0 HG3 ARG A 33 -3.656 -0.370 -7.199 1.00 0.80 H new ATOM 0 HD2 ARG A 33 -1.734 -1.731 -7.048 1.00 0.53 H new ATOM 0 HD3 ARG A 33 -2.659 -3.173 -6.681 1.00 0.53 H new ATOM 0 HE ARG A 33 -3.533 -2.550 -9.213 1.00 1.09 H new ATOM 0 HH11 ARG A 33 -0.343 -2.905 -7.743 1.00 2.10 H new ATOM 0 HH12 ARG A 33 0.411 -3.470 -9.237 1.00 2.10 H new ATOM 0 HH21 ARG A 33 -2.558 -3.275 -11.127 1.00 2.12 H new ATOM 0 HH22 ARG A 33 -0.839 -3.679 -11.146 1.00 2.12 H new ATOM 508 N CYS A 34 -3.276 1.355 -3.784 1.00 0.39 N ATOM 509 CA CYS A 34 -3.740 2.427 -2.912 1.00 0.41 C ATOM 510 C CYS A 34 -3.866 3.736 -3.687 1.00 0.41 C ATOM 511 O CYS A 34 -3.352 4.770 -3.264 1.00 0.47 O ATOM 512 CB CYS A 34 -2.781 2.607 -1.732 1.00 0.44 C ATOM 513 SG CYS A 34 -2.871 1.278 -0.491 1.00 0.94 S ATOM 0 H CYS A 34 -2.709 1.669 -4.572 1.00 0.39 H new ATOM 0 HA CYS A 34 -4.723 2.154 -2.530 1.00 0.41 H new ATOM 0 HB2 CYS A 34 -1.761 2.666 -2.112 1.00 0.44 H new ATOM 0 HB3 CYS A 34 -2.995 3.559 -1.246 1.00 0.44 H new ATOM 518 N PRO A 35 -4.558 3.704 -4.840 1.00 0.41 N ATOM 519 CA PRO A 35 -4.752 4.891 -5.679 1.00 0.44 C ATOM 520 C PRO A 35 -5.789 5.848 -5.102 1.00 0.34 C ATOM 521 O PRO A 35 -6.906 5.444 -4.778 1.00 0.34 O ATOM 522 CB PRO A 35 -5.244 4.303 -7.000 1.00 0.57 C ATOM 523 CG PRO A 35 -5.952 3.053 -6.608 1.00 0.54 C ATOM 524 CD PRO A 35 -5.204 2.508 -5.418 1.00 0.44 C ATOM 0 HA PRO A 35 -3.842 5.484 -5.769 1.00 0.44 H new ATOM 0 HB2 PRO A 35 -5.911 4.992 -7.518 1.00 0.57 H new ATOM 0 HB3 PRO A 35 -4.414 4.095 -7.676 1.00 0.57 H new ATOM 0 HG2 PRO A 35 -6.992 3.257 -6.355 1.00 0.54 H new ATOM 0 HG3 PRO A 35 -5.958 2.334 -7.428 1.00 0.54 H new ATOM 0 HD2 PRO A 35 -5.877 2.031 -4.705 1.00 0.44 H new ATOM 0 HD3 PRO A 35 -4.470 1.759 -5.714 1.00 0.44 H new ATOM 532 N ALA A 36 -5.413 7.116 -4.975 1.00 0.35 N ATOM 533 CA ALA A 36 -6.315 8.128 -4.437 1.00 0.33 C ATOM 534 C ALA A 36 -6.150 9.455 -5.170 1.00 0.32 C ATOM 535 O ALA A 36 -5.075 10.055 -5.155 1.00 0.38 O ATOM 536 CB ALA A 36 -6.071 8.313 -2.947 1.00 0.40 C ATOM 0 H ALA A 36 -4.492 7.467 -5.237 1.00 0.35 H new ATOM 0 HA ALA A 36 -7.338 7.784 -4.587 1.00 0.33 H new ATOM 0 HB1 ALA A 36 -6.751 9.071 -2.558 1.00 0.40 H new ATOM 0 HB2 ALA A 36 -6.246 7.370 -2.430 1.00 0.40 H new ATOM 0 HB3 ALA A 36 -5.041 8.631 -2.784 1.00 0.40 H new ATOM 542 N GLY A 37 -7.221 9.908 -5.811 1.00 0.33 N ATOM 543 CA GLY A 37 -7.172 11.163 -6.540 1.00 0.36 C ATOM 544 C GLY A 37 -7.152 12.368 -5.622 1.00 0.35 C ATOM 545 O GLY A 37 -8.005 12.506 -4.747 1.00 0.37 O ATOM 0 H GLY A 37 -8.122 9.430 -5.839 1.00 0.33 H new ATOM 0 HA2 GLY A 37 -6.284 11.177 -7.172 1.00 0.36 H new ATOM 0 HA3 GLY A 37 -8.036 11.229 -7.202 1.00 0.36 H new ATOM 549 N GLY A 38 -6.175 13.244 -5.823 1.00 0.36 N ATOM 550 CA GLY A 38 -6.061 14.436 -5.004 1.00 0.39 C ATOM 551 C GLY A 38 -4.967 15.361 -5.494 1.00 0.37 C ATOM 552 O GLY A 38 -4.781 15.517 -6.701 1.00 0.42 O ATOM 0 H GLY A 38 -5.457 13.150 -6.541 1.00 0.36 H new ATOM 0 HA2 GLY A 38 -7.012 14.968 -5.005 1.00 0.39 H new ATOM 0 HA3 GLY A 38 -5.857 14.149 -3.973 1.00 0.39 H new ATOM 556 N ASN A 39 -4.238 15.972 -4.567 1.00 0.40 N ATOM 557 CA ASN A 39 -3.158 16.876 -4.942 1.00 0.47 C ATOM 558 C ASN A 39 -1.891 16.093 -5.280 1.00 0.36 C ATOM 559 O ASN A 39 -1.840 14.876 -5.105 1.00 0.34 O ATOM 560 CB ASN A 39 -2.884 17.876 -3.820 1.00 0.70 C ATOM 561 CG ASN A 39 -3.325 19.282 -4.181 1.00 2.04 C ATOM 562 OD1 ASN A 39 -2.553 20.234 -4.076 1.00 2.41 O ATOM 563 ND2 ASN A 39 -4.574 19.417 -4.612 1.00 2.89 N ATOM 0 H ASN A 39 -4.373 15.860 -3.562 1.00 0.40 H new ATOM 0 HA ASN A 39 -3.467 17.427 -5.830 1.00 0.47 H new ATOM 0 HB2 ASN A 39 -3.403 17.556 -2.916 1.00 0.70 H new ATOM 0 HB3 ASN A 39 -1.818 17.879 -3.592 1.00 0.70 H new ATOM 0 HD21 ASN A 39 -4.927 20.338 -4.872 1.00 2.89 H new ATOM 0 HD22 ASN A 39 -5.180 18.600 -4.684 1.00 2.89 H new ATOM 570 N PRO A 40 -0.853 16.781 -5.784 1.00 0.39 N ATOM 571 CA PRO A 40 0.409 16.142 -6.165 1.00 0.39 C ATOM 572 C PRO A 40 1.333 15.869 -4.979 1.00 0.34 C ATOM 573 O PRO A 40 2.488 15.486 -5.164 1.00 0.40 O ATOM 574 CB PRO A 40 1.037 17.170 -7.102 1.00 0.51 C ATOM 575 CG PRO A 40 0.546 18.483 -6.596 1.00 0.52 C ATOM 576 CD PRO A 40 -0.835 18.236 -6.043 1.00 0.53 C ATOM 0 HA PRO A 40 0.246 15.160 -6.610 1.00 0.39 H new ATOM 0 HB2 PRO A 40 2.125 17.117 -7.078 1.00 0.51 H new ATOM 0 HB3 PRO A 40 0.733 17.004 -8.135 1.00 0.51 H new ATOM 0 HG2 PRO A 40 1.209 18.875 -5.825 1.00 0.52 H new ATOM 0 HG3 PRO A 40 0.517 19.222 -7.397 1.00 0.52 H new ATOM 0 HD2 PRO A 40 -1.009 18.807 -5.131 1.00 0.53 H new ATOM 0 HD3 PRO A 40 -1.609 18.526 -6.754 1.00 0.53 H new ATOM 584 N MET A 41 0.829 16.059 -3.762 1.00 0.31 N ATOM 585 CA MET A 41 1.634 15.824 -2.567 1.00 0.33 C ATOM 586 C MET A 41 0.971 14.813 -1.635 1.00 0.32 C ATOM 587 O MET A 41 0.426 15.180 -0.593 1.00 0.36 O ATOM 588 CB MET A 41 1.866 17.139 -1.820 1.00 0.39 C ATOM 589 CG MET A 41 3.087 17.117 -0.914 1.00 0.47 C ATOM 590 SD MET A 41 4.460 18.082 -1.576 1.00 1.30 S ATOM 591 CE MET A 41 5.731 16.825 -1.692 1.00 1.83 C ATOM 0 H MET A 41 -0.124 16.372 -3.578 1.00 0.31 H new ATOM 0 HA MET A 41 2.591 15.413 -2.888 1.00 0.33 H new ATOM 0 HB2 MET A 41 1.977 17.945 -2.546 1.00 0.39 H new ATOM 0 HB3 MET A 41 0.984 17.368 -1.222 1.00 0.39 H new ATOM 0 HG2 MET A 41 2.814 17.506 0.067 1.00 0.47 H new ATOM 0 HG3 MET A 41 3.409 16.086 -0.769 1.00 0.47 H new ATOM 0 HE1 MET A 41 6.646 17.268 -2.087 1.00 1.83 H new ATOM 0 HE2 MET A 41 5.926 16.412 -0.702 1.00 1.83 H new ATOM 0 HE3 MET A 41 5.396 16.029 -2.358 1.00 1.83 H new ATOM 601 N PRO A 42 1.006 13.519 -1.998 1.00 0.32 N ATOM 602 CA PRO A 42 0.416 12.450 -1.209 1.00 0.34 C ATOM 603 C PRO A 42 1.442 11.736 -0.330 1.00 0.35 C ATOM 604 O PRO A 42 2.493 11.314 -0.813 1.00 0.43 O ATOM 605 CB PRO A 42 -0.088 11.513 -2.301 1.00 0.40 C ATOM 606 CG PRO A 42 0.910 11.651 -3.412 1.00 0.42 C ATOM 607 CD PRO A 42 1.616 12.979 -3.221 1.00 0.36 C ATOM 0 HA PRO A 42 -0.345 12.803 -0.513 1.00 0.34 H new ATOM 0 HB2 PRO A 42 -0.144 10.484 -1.945 1.00 0.40 H new ATOM 0 HB3 PRO A 42 -1.089 11.792 -2.631 1.00 0.40 H new ATOM 0 HG2 PRO A 42 1.625 10.829 -3.390 1.00 0.42 H new ATOM 0 HG3 PRO A 42 0.413 11.616 -4.382 1.00 0.42 H new ATOM 0 HD2 PRO A 42 2.692 12.849 -3.109 1.00 0.36 H new ATOM 0 HD3 PRO A 42 1.462 13.642 -4.073 1.00 0.36 H new ATOM 615 N THR A 43 1.131 11.596 0.956 1.00 0.32 N ATOM 616 CA THR A 43 2.031 10.922 1.885 1.00 0.35 C ATOM 617 C THR A 43 1.351 9.713 2.513 1.00 0.37 C ATOM 618 O THR A 43 0.450 9.857 3.339 1.00 0.48 O ATOM 619 CB THR A 43 2.508 11.871 3.001 1.00 0.41 C ATOM 620 OG1 THR A 43 2.007 13.193 2.771 1.00 0.94 O ATOM 621 CG2 THR A 43 4.028 11.902 3.068 1.00 1.00 C ATOM 0 H THR A 43 0.267 11.939 1.376 1.00 0.32 H new ATOM 0 HA THR A 43 2.898 10.595 1.310 1.00 0.35 H new ATOM 0 HB THR A 43 2.124 11.501 3.952 1.00 0.41 H new ATOM 0 HG1 THR A 43 2.314 13.788 3.486 1.00 0.94 H new ATOM 0 HG21 THR A 43 4.343 12.578 3.863 1.00 1.00 H new ATOM 0 HG22 THR A 43 4.404 10.900 3.274 1.00 1.00 H new ATOM 0 HG23 THR A 43 4.427 12.250 2.115 1.00 1.00 H new ATOM 629 N MET A 44 1.775 8.519 2.109 1.00 0.35 N ATOM 630 CA MET A 44 1.189 7.290 2.631 1.00 0.41 C ATOM 631 C MET A 44 2.217 6.439 3.367 1.00 0.38 C ATOM 632 O MET A 44 3.409 6.476 3.060 1.00 0.40 O ATOM 633 CB MET A 44 0.562 6.481 1.494 1.00 0.49 C ATOM 634 CG MET A 44 1.346 6.550 0.194 1.00 0.86 C ATOM 635 SD MET A 44 0.851 5.278 -0.984 1.00 1.82 S ATOM 636 CE MET A 44 1.420 6.000 -2.522 1.00 2.30 C ATOM 0 H MET A 44 2.518 8.377 1.425 1.00 0.35 H new ATOM 0 HA MET A 44 0.417 7.573 3.347 1.00 0.41 H new ATOM 0 HB2 MET A 44 0.479 5.439 1.804 1.00 0.49 H new ATOM 0 HB3 MET A 44 -0.451 6.843 1.317 1.00 0.49 H new ATOM 0 HG2 MET A 44 1.207 7.532 -0.258 1.00 0.86 H new ATOM 0 HG3 MET A 44 2.409 6.446 0.410 1.00 0.86 H new ATOM 0 HE1 MET A 44 1.185 5.329 -3.348 1.00 2.30 H new ATOM 0 HE2 MET A 44 0.923 6.957 -2.680 1.00 2.30 H new ATOM 0 HE3 MET A 44 2.498 6.154 -2.475 1.00 2.30 H new ATOM 646 N ARG A 45 1.736 5.665 4.334 1.00 0.36 N ATOM 647 CA ARG A 45 2.594 4.787 5.119 1.00 0.34 C ATOM 648 C ARG A 45 2.212 3.327 4.890 1.00 0.32 C ATOM 649 O ARG A 45 1.036 3.007 4.699 1.00 0.34 O ATOM 650 CB ARG A 45 2.490 5.128 6.607 1.00 0.37 C ATOM 651 CG ARG A 45 2.543 6.620 6.896 1.00 0.66 C ATOM 652 CD ARG A 45 1.796 6.966 8.175 1.00 0.88 C ATOM 653 NE ARG A 45 2.618 7.748 9.095 1.00 1.57 N ATOM 654 CZ ARG A 45 3.505 7.212 9.929 1.00 2.04 C ATOM 655 NH1 ARG A 45 3.687 5.899 9.954 1.00 2.22 N ATOM 656 NH2 ARG A 45 4.210 7.990 10.739 1.00 2.89 N ATOM 0 H ARG A 45 0.750 5.629 4.593 1.00 0.36 H new ATOM 0 HA ARG A 45 3.625 4.936 4.797 1.00 0.34 H new ATOM 0 HB2 ARG A 45 1.557 4.724 6.999 1.00 0.37 H new ATOM 0 HB3 ARG A 45 3.301 4.634 7.142 1.00 0.37 H new ATOM 0 HG2 ARG A 45 3.582 6.938 6.982 1.00 0.66 H new ATOM 0 HG3 ARG A 45 2.110 7.169 6.060 1.00 0.66 H new ATOM 0 HD2 ARG A 45 0.895 7.527 7.928 1.00 0.88 H new ATOM 0 HD3 ARG A 45 1.475 6.048 8.667 1.00 0.88 H new ATOM 0 HE ARG A 45 2.506 8.762 9.098 1.00 1.57 H new ATOM 0 HH11 ARG A 45 3.146 5.297 9.333 1.00 2.22 H new ATOM 0 HH12 ARG A 45 4.368 5.491 10.594 1.00 2.22 H new ATOM 0 HH21 ARG A 45 4.072 9.001 10.723 1.00 2.89 H new ATOM 0 HH22 ARG A 45 4.890 7.578 11.378 1.00 2.89 H new ATOM 670 N TRP A 46 3.207 2.446 4.907 1.00 0.31 N ATOM 671 CA TRP A 46 2.966 1.023 4.696 1.00 0.31 C ATOM 672 C TRP A 46 3.059 0.248 6.006 1.00 0.26 C ATOM 673 O TRP A 46 4.109 0.226 6.656 1.00 0.29 O ATOM 674 CB TRP A 46 3.965 0.463 3.683 1.00 0.39 C ATOM 675 CG TRP A 46 4.246 1.397 2.547 1.00 0.70 C ATOM 676 CD1 TRP A 46 3.663 1.386 1.312 1.00 1.52 C ATOM 677 CD2 TRP A 46 5.179 2.483 2.540 1.00 1.34 C ATOM 678 NE1 TRP A 46 4.177 2.399 0.539 1.00 1.62 N ATOM 679 CE2 TRP A 46 5.109 3.087 1.270 1.00 1.46 C ATOM 680 CE3 TRP A 46 6.066 3.005 3.485 1.00 2.43 C ATOM 681 CZ2 TRP A 46 5.893 4.185 0.922 1.00 2.14 C ATOM 682 CZ3 TRP A 46 6.844 4.095 3.139 1.00 3.28 C ATOM 683 CH2 TRP A 46 6.754 4.675 1.868 1.00 3.02 C ATOM 0 H TRP A 46 4.185 2.691 5.064 1.00 0.31 H new ATOM 0 HA TRP A 46 1.956 0.907 4.304 1.00 0.31 H new ATOM 0 HB2 TRP A 46 4.900 0.233 4.194 1.00 0.39 H new ATOM 0 HB3 TRP A 46 3.580 -0.476 3.285 1.00 0.39 H new ATOM 0 HD1 TRP A 46 2.908 0.684 0.990 1.00 1.52 H new ATOM 0 HE1 TRP A 46 3.908 2.605 -0.423 1.00 1.62 H new ATOM 0 HE3 TRP A 46 6.143 2.565 4.468 1.00 2.43 H new ATOM 0 HZ2 TRP A 46 5.824 4.633 -0.058 1.00 2.14 H new ATOM 0 HZ3 TRP A 46 7.533 4.506 3.862 1.00 3.28 H new ATOM 0 HH2 TRP A 46 7.375 5.525 1.629 1.00 3.02 H new ATOM 694 N LEU A 47 1.954 -0.395 6.376 1.00 0.25 N ATOM 695 CA LEU A 47 1.892 -1.183 7.600 1.00 0.26 C ATOM 696 C LEU A 47 1.203 -2.523 7.344 1.00 0.24 C ATOM 697 O LEU A 47 0.086 -2.566 6.834 1.00 0.31 O ATOM 698 CB LEU A 47 1.145 -0.414 8.693 1.00 0.37 C ATOM 699 CG LEU A 47 1.691 -0.609 10.109 1.00 0.80 C ATOM 700 CD1 LEU A 47 2.264 0.693 10.645 1.00 1.58 C ATOM 701 CD2 LEU A 47 0.603 -1.134 11.033 1.00 1.53 C ATOM 0 H LEU A 47 1.086 -0.384 5.841 1.00 0.25 H new ATOM 0 HA LEU A 47 2.912 -1.372 7.934 1.00 0.26 H new ATOM 0 HB2 LEU A 47 1.173 0.649 8.452 1.00 0.37 H new ATOM 0 HB3 LEU A 47 0.098 -0.717 8.679 1.00 0.37 H new ATOM 0 HG LEU A 47 2.493 -1.346 10.069 1.00 0.80 H new ATOM 0 HD11 LEU A 47 2.647 0.534 11.653 1.00 1.58 H new ATOM 0 HD12 LEU A 47 3.074 1.028 9.997 1.00 1.58 H new ATOM 0 HD13 LEU A 47 1.482 1.452 10.670 1.00 1.58 H new ATOM 0 HD21 LEU A 47 1.010 -1.267 12.036 1.00 1.53 H new ATOM 0 HD22 LEU A 47 -0.221 -0.421 11.067 1.00 1.53 H new ATOM 0 HD23 LEU A 47 0.239 -2.091 10.660 1.00 1.53 H new ATOM 713 N LYS A 48 1.880 -3.610 7.696 1.00 0.22 N ATOM 714 CA LYS A 48 1.335 -4.952 7.498 1.00 0.25 C ATOM 715 C LYS A 48 1.345 -5.745 8.806 1.00 0.26 C ATOM 716 O LYS A 48 2.400 -5.983 9.391 1.00 0.31 O ATOM 717 CB LYS A 48 2.126 -5.710 6.419 1.00 0.34 C ATOM 718 CG LYS A 48 3.516 -5.145 6.149 1.00 0.41 C ATOM 719 CD LYS A 48 4.082 -5.654 4.832 1.00 0.88 C ATOM 720 CE LYS A 48 4.522 -7.105 4.939 1.00 0.73 C ATOM 721 NZ LYS A 48 5.187 -7.575 3.691 1.00 1.37 N ATOM 0 H LYS A 48 2.807 -3.590 8.120 1.00 0.22 H new ATOM 0 HA LYS A 48 0.303 -4.844 7.164 1.00 0.25 H new ATOM 0 HB2 LYS A 48 2.223 -6.753 6.721 1.00 0.34 H new ATOM 0 HB3 LYS A 48 1.555 -5.698 5.491 1.00 0.34 H new ATOM 0 HG2 LYS A 48 3.469 -4.056 6.129 1.00 0.41 H new ATOM 0 HG3 LYS A 48 4.186 -5.420 6.964 1.00 0.41 H new ATOM 0 HD2 LYS A 48 3.329 -5.558 4.050 1.00 0.88 H new ATOM 0 HD3 LYS A 48 4.930 -5.036 4.536 1.00 0.88 H new ATOM 0 HE2 LYS A 48 5.207 -7.216 5.780 1.00 0.73 H new ATOM 0 HE3 LYS A 48 3.656 -7.733 5.148 1.00 0.73 H new ATOM 0 HZ1 LYS A 48 5.183 -8.615 3.666 1.00 1.37 H new ATOM 0 HZ2 LYS A 48 4.674 -7.207 2.865 1.00 1.37 H new ATOM 0 HZ3 LYS A 48 6.169 -7.232 3.670 1.00 1.37 H new ATOM 735 N ASN A 49 0.160 -6.149 9.251 1.00 0.28 N ATOM 736 CA ASN A 49 0.014 -6.915 10.487 1.00 0.35 C ATOM 737 C ASN A 49 0.832 -6.309 11.626 1.00 0.39 C ATOM 738 O ASN A 49 1.287 -7.022 12.520 1.00 0.50 O ATOM 739 CB ASN A 49 0.425 -8.373 10.273 1.00 0.38 C ATOM 740 CG ASN A 49 -0.358 -9.324 11.158 1.00 0.75 C ATOM 741 OD1 ASN A 49 -1.067 -8.896 12.068 1.00 1.53 O ATOM 742 ND2 ASN A 49 -0.237 -10.620 10.894 1.00 1.32 N ATOM 0 H ASN A 49 -0.720 -5.958 8.772 1.00 0.28 H new ATOM 0 HA ASN A 49 -1.039 -6.878 10.767 1.00 0.35 H new ATOM 0 HB2 ASN A 49 0.272 -8.642 9.228 1.00 0.38 H new ATOM 0 HB3 ASN A 49 1.490 -8.482 10.478 1.00 0.38 H new ATOM 0 HD21 ASN A 49 -0.743 -11.304 11.456 1.00 1.32 H new ATOM 0 HD22 ASN A 49 0.362 -10.931 10.129 1.00 1.32 H new ATOM 749 N GLY A 50 1.006 -4.993 11.595 1.00 0.38 N ATOM 750 CA GLY A 50 1.761 -4.321 12.638 1.00 0.45 C ATOM 751 C GLY A 50 3.200 -4.037 12.249 1.00 0.48 C ATOM 752 O GLY A 50 3.953 -3.453 13.029 1.00 0.68 O ATOM 0 H GLY A 50 0.639 -4.379 10.868 1.00 0.38 H new ATOM 0 HA2 GLY A 50 1.267 -3.382 12.887 1.00 0.45 H new ATOM 0 HA3 GLY A 50 1.750 -4.935 13.538 1.00 0.45 H new ATOM 756 N LYS A 51 3.590 -4.444 11.044 1.00 0.36 N ATOM 757 CA LYS A 51 4.948 -4.222 10.567 1.00 0.39 C ATOM 758 C LYS A 51 4.984 -3.072 9.567 1.00 0.38 C ATOM 759 O LYS A 51 4.123 -2.970 8.700 1.00 0.39 O ATOM 760 CB LYS A 51 5.499 -5.494 9.922 1.00 0.42 C ATOM 761 CG LYS A 51 6.922 -5.350 9.407 1.00 0.53 C ATOM 762 CD LYS A 51 6.945 -4.878 7.962 1.00 0.75 C ATOM 763 CE LYS A 51 8.343 -4.965 7.369 1.00 0.82 C ATOM 764 NZ LYS A 51 8.676 -6.346 6.926 1.00 1.36 N ATOM 0 H LYS A 51 2.984 -4.929 10.382 1.00 0.36 H new ATOM 0 HA LYS A 51 5.572 -3.960 11.421 1.00 0.39 H new ATOM 0 HB2 LYS A 51 5.466 -6.304 10.651 1.00 0.42 H new ATOM 0 HB3 LYS A 51 4.850 -5.782 9.095 1.00 0.42 H new ATOM 0 HG2 LYS A 51 7.466 -4.641 10.031 1.00 0.53 H new ATOM 0 HG3 LYS A 51 7.438 -6.307 9.487 1.00 0.53 H new ATOM 0 HD2 LYS A 51 6.259 -5.483 7.369 1.00 0.75 H new ATOM 0 HD3 LYS A 51 6.589 -3.849 7.909 1.00 0.75 H new ATOM 0 HE2 LYS A 51 8.420 -4.284 6.521 1.00 0.82 H new ATOM 0 HE3 LYS A 51 9.072 -4.636 8.110 1.00 0.82 H new ATOM 0 HZ1 LYS A 51 9.637 -6.361 6.528 1.00 1.36 H new ATOM 0 HZ2 LYS A 51 8.628 -6.993 7.739 1.00 1.36 H new ATOM 0 HZ3 LYS A 51 7.996 -6.651 6.200 1.00 1.36 H new ATOM 778 N GLU A 52 5.993 -2.219 9.684 1.00 0.38 N ATOM 779 CA GLU A 52 6.142 -1.087 8.776 1.00 0.39 C ATOM 780 C GLU A 52 7.319 -1.317 7.838 1.00 0.43 C ATOM 781 O GLU A 52 8.290 -1.979 8.203 1.00 0.49 O ATOM 782 CB GLU A 52 6.338 0.213 9.561 1.00 0.44 C ATOM 783 CG GLU A 52 7.596 0.228 10.414 1.00 1.03 C ATOM 784 CD GLU A 52 7.555 1.297 11.491 1.00 1.38 C ATOM 785 OE1 GLU A 52 7.032 2.396 11.215 1.00 1.71 O ATOM 786 OE2 GLU A 52 8.048 1.033 12.608 1.00 1.90 O ATOM 0 H GLU A 52 6.719 -2.288 10.397 1.00 0.38 H new ATOM 0 HA GLU A 52 5.231 -0.998 8.184 1.00 0.39 H new ATOM 0 HB2 GLU A 52 6.374 1.048 8.861 1.00 0.44 H new ATOM 0 HB3 GLU A 52 5.472 0.373 10.203 1.00 0.44 H new ATOM 0 HG2 GLU A 52 7.726 -0.748 10.881 1.00 1.03 H new ATOM 0 HG3 GLU A 52 8.463 0.394 9.774 1.00 1.03 H new ATOM 793 N PHE A 53 7.241 -0.766 6.630 1.00 0.43 N ATOM 794 CA PHE A 53 8.324 -0.922 5.666 1.00 0.50 C ATOM 795 C PHE A 53 8.614 0.402 4.956 1.00 0.56 C ATOM 796 O PHE A 53 7.715 1.022 4.387 1.00 0.70 O ATOM 797 CB PHE A 53 7.994 -2.049 4.664 1.00 0.57 C ATOM 798 CG PHE A 53 7.326 -1.603 3.387 1.00 1.46 C ATOM 799 CD1 PHE A 53 8.049 -0.927 2.416 1.00 1.99 C ATOM 800 CD2 PHE A 53 5.985 -1.863 3.161 1.00 2.42 C ATOM 801 CE1 PHE A 53 7.445 -0.520 1.242 1.00 3.14 C ATOM 802 CE2 PHE A 53 5.377 -1.459 1.987 1.00 3.55 C ATOM 803 CZ PHE A 53 6.108 -0.786 1.027 1.00 3.85 C ATOM 0 H PHE A 53 6.450 -0.214 6.299 1.00 0.43 H new ATOM 0 HA PHE A 53 9.230 -1.208 6.200 1.00 0.50 H new ATOM 0 HB2 PHE A 53 8.918 -2.568 4.409 1.00 0.57 H new ATOM 0 HB3 PHE A 53 7.348 -2.774 5.158 1.00 0.57 H new ATOM 0 HD1 PHE A 53 9.096 -0.716 2.579 1.00 1.99 H new ATOM 0 HD2 PHE A 53 5.408 -2.387 3.909 1.00 2.42 H new ATOM 0 HE1 PHE A 53 8.019 0.006 0.493 1.00 3.14 H new ATOM 0 HE2 PHE A 53 4.331 -1.669 1.820 1.00 3.55 H new ATOM 0 HZ PHE A 53 5.634 -0.469 0.110 1.00 3.85 H new ATOM 813 N LYS A 54 9.870 0.833 5.005 1.00 0.64 N ATOM 814 CA LYS A 54 10.273 2.086 4.378 1.00 0.77 C ATOM 815 C LYS A 54 10.970 1.841 3.044 1.00 1.29 C ATOM 816 O LYS A 54 11.497 0.757 2.794 1.00 1.12 O ATOM 817 CB LYS A 54 11.199 2.869 5.311 1.00 0.86 C ATOM 818 CG LYS A 54 10.477 3.527 6.474 1.00 1.43 C ATOM 819 CD LYS A 54 11.203 4.779 6.940 1.00 1.82 C ATOM 820 CE LYS A 54 10.391 5.538 7.978 1.00 2.44 C ATOM 821 NZ LYS A 54 10.068 4.692 9.160 1.00 3.19 N ATOM 0 H LYS A 54 10.626 0.333 5.472 1.00 0.64 H new ATOM 0 HA LYS A 54 9.372 2.669 4.189 1.00 0.77 H new ATOM 0 HB2 LYS A 54 11.961 2.195 5.702 1.00 0.86 H new ATOM 0 HB3 LYS A 54 11.717 3.636 4.735 1.00 0.86 H new ATOM 0 HG2 LYS A 54 9.461 3.784 6.175 1.00 1.43 H new ATOM 0 HG3 LYS A 54 10.397 2.821 7.301 1.00 1.43 H new ATOM 0 HD2 LYS A 54 12.170 4.505 7.362 1.00 1.82 H new ATOM 0 HD3 LYS A 54 11.400 5.426 6.086 1.00 1.82 H new ATOM 0 HE2 LYS A 54 10.948 6.417 8.302 1.00 2.44 H new ATOM 0 HE3 LYS A 54 9.467 5.896 7.525 1.00 2.44 H new ATOM 0 HZ1 LYS A 54 9.619 5.277 9.893 1.00 3.19 H new ATOM 0 HZ2 LYS A 54 9.417 3.932 8.876 1.00 3.19 H new ATOM 0 HZ3 LYS A 54 10.943 4.275 9.538 1.00 3.19 H new ATOM 885 N ARG A 58 13.765 -3.040 1.366 1.00 1.00 N ATOM 886 CA ARG A 58 12.643 -3.899 1.008 1.00 0.92 C ATOM 887 C ARG A 58 13.122 -5.326 0.775 1.00 0.69 C ATOM 888 O ARG A 58 14.223 -5.545 0.268 1.00 0.78 O ATOM 889 CB ARG A 58 11.935 -3.368 -0.239 1.00 1.23 C ATOM 890 CG ARG A 58 10.487 -2.983 0.010 1.00 1.36 C ATOM 891 CD ARG A 58 9.585 -4.207 0.048 1.00 1.75 C ATOM 892 NE ARG A 58 9.376 -4.688 1.411 1.00 2.44 N ATOM 893 CZ ARG A 58 8.778 -5.839 1.701 1.00 3.22 C ATOM 894 NH1 ARG A 58 8.330 -6.617 0.726 1.00 3.53 N ATOM 895 NH2 ARG A 58 8.629 -6.212 2.965 1.00 3.98 N ATOM 0 HA ARG A 58 11.933 -3.899 1.835 1.00 0.92 H new ATOM 0 HB2 ARG A 58 12.476 -2.498 -0.613 1.00 1.23 H new ATOM 0 HB3 ARG A 58 11.973 -4.127 -1.021 1.00 1.23 H new ATOM 0 HG2 ARG A 58 10.410 -2.443 0.954 1.00 1.36 H new ATOM 0 HG3 ARG A 58 10.149 -2.305 -0.774 1.00 1.36 H new ATOM 0 HD2 ARG A 58 8.623 -3.963 -0.402 1.00 1.75 H new ATOM 0 HD3 ARG A 58 10.026 -5.002 -0.554 1.00 1.75 H new ATOM 0 HE ARG A 58 9.707 -4.109 2.183 1.00 2.44 H new ATOM 0 HH11 ARG A 58 8.444 -6.332 -0.247 1.00 3.53 H new ATOM 0 HH12 ARG A 58 7.871 -7.500 0.948 1.00 3.53 H new ATOM 0 HH21 ARG A 58 8.974 -5.615 3.717 1.00 3.98 H new ATOM 0 HH22 ARG A 58 8.170 -7.096 3.185 1.00 3.98 H new ATOM 909 N ILE A 59 12.294 -6.296 1.142 1.00 0.67 N ATOM 910 CA ILE A 59 12.650 -7.696 0.969 1.00 0.66 C ATOM 911 C ILE A 59 12.766 -8.053 -0.505 1.00 0.59 C ATOM 912 O ILE A 59 11.775 -8.384 -1.156 1.00 0.57 O ATOM 913 CB ILE A 59 11.626 -8.629 1.642 1.00 0.95 C ATOM 914 CG1 ILE A 59 11.494 -8.291 3.126 1.00 1.05 C ATOM 915 CG2 ILE A 59 12.032 -10.084 1.460 1.00 1.16 C ATOM 916 CD1 ILE A 59 12.820 -8.236 3.852 1.00 1.64 C ATOM 0 H ILE A 59 11.376 -6.139 1.559 1.00 0.67 H new ATOM 0 HA ILE A 59 13.618 -7.838 1.449 1.00 0.66 H new ATOM 0 HB ILE A 59 10.657 -8.481 1.166 1.00 0.95 H new ATOM 0 HG12 ILE A 59 10.993 -7.329 3.228 1.00 1.05 H new ATOM 0 HG13 ILE A 59 10.857 -9.035 3.605 1.00 1.05 H new ATOM 0 HG21 ILE A 59 11.298 -10.730 1.942 1.00 1.16 H new ATOM 0 HG22 ILE A 59 12.079 -10.318 0.397 1.00 1.16 H new ATOM 0 HG23 ILE A 59 13.011 -10.248 1.911 1.00 1.16 H new ATOM 0 HD11 ILE A 59 12.651 -7.991 4.901 1.00 1.64 H new ATOM 0 HD12 ILE A 59 13.314 -9.205 3.781 1.00 1.64 H new ATOM 0 HD13 ILE A 59 13.452 -7.472 3.398 1.00 1.64 H new ATOM 928 N GLY A 60 13.987 -7.988 -1.023 1.00 0.70 N ATOM 929 CA GLY A 60 14.219 -8.310 -2.414 1.00 0.77 C ATOM 930 C GLY A 60 14.018 -7.125 -3.340 1.00 0.74 C ATOM 931 O GLY A 60 14.318 -7.213 -4.531 1.00 0.79 O ATOM 0 H GLY A 60 14.821 -7.717 -0.501 1.00 0.70 H new ATOM 0 HA2 GLY A 60 15.236 -8.685 -2.529 1.00 0.77 H new ATOM 0 HA3 GLY A 60 13.547 -9.115 -2.712 1.00 0.77 H new ATOM 935 N GLY A 61 13.509 -6.014 -2.808 1.00 0.70 N ATOM 936 CA GLY A 61 13.286 -4.842 -3.637 1.00 0.72 C ATOM 937 C GLY A 61 11.817 -4.639 -3.962 1.00 0.74 C ATOM 938 O GLY A 61 11.043 -5.593 -3.966 1.00 1.20 O ATOM 0 H GLY A 61 13.250 -5.906 -1.827 1.00 0.70 H new ATOM 0 HA2 GLY A 61 13.668 -3.959 -3.125 1.00 0.72 H new ATOM 0 HA3 GLY A 61 13.851 -4.942 -4.564 1.00 0.72 H new ATOM 942 N TYR A 62 11.435 -3.395 -4.236 1.00 0.69 N ATOM 943 CA TYR A 62 10.046 -3.085 -4.560 1.00 0.84 C ATOM 944 C TYR A 62 9.955 -1.967 -5.597 1.00 0.73 C ATOM 945 O TYR A 62 10.898 -1.200 -5.788 1.00 0.97 O ATOM 946 CB TYR A 62 9.275 -2.703 -3.287 1.00 1.36 C ATOM 947 CG TYR A 62 9.457 -1.262 -2.852 1.00 1.92 C ATOM 948 CD1 TYR A 62 10.719 -0.765 -2.554 1.00 2.32 C ATOM 949 CD2 TYR A 62 8.368 -0.405 -2.736 1.00 2.43 C ATOM 950 CE1 TYR A 62 10.893 0.546 -2.155 1.00 3.05 C ATOM 951 CE2 TYR A 62 8.535 0.907 -2.338 1.00 3.07 C ATOM 952 CZ TYR A 62 9.783 1.382 -2.056 1.00 3.35 C ATOM 953 OH TYR A 62 9.970 2.683 -1.649 1.00 4.10 O ATOM 0 H TYR A 62 12.062 -2.591 -4.240 1.00 0.69 H new ATOM 0 HA TYR A 62 9.593 -3.977 -4.992 1.00 0.84 H new ATOM 0 HB2 TYR A 62 8.213 -2.889 -3.450 1.00 1.36 H new ATOM 0 HB3 TYR A 62 9.592 -3.357 -2.475 1.00 1.36 H new ATOM 0 HD1 TYR A 62 11.578 -1.414 -2.636 1.00 2.32 H new ATOM 0 HD2 TYR A 62 7.377 -0.771 -2.960 1.00 2.43 H new ATOM 0 HE1 TYR A 62 11.879 0.919 -1.922 1.00 3.05 H new ATOM 0 HE2 TYR A 62 7.677 1.557 -2.250 1.00 3.07 H new ATOM 0 HH TYR A 62 9.107 3.146 -1.628 1.00 4.10 H new ATOM 963 N LYS A 63 8.803 -1.879 -6.257 1.00 0.66 N ATOM 964 CA LYS A 63 8.571 -0.855 -7.267 1.00 0.78 C ATOM 965 C LYS A 63 7.284 -0.095 -6.972 1.00 0.67 C ATOM 966 O LYS A 63 6.322 -0.662 -6.454 1.00 0.54 O ATOM 967 CB LYS A 63 8.502 -1.487 -8.658 1.00 1.11 C ATOM 968 CG LYS A 63 9.432 -0.837 -9.668 1.00 1.28 C ATOM 969 CD LYS A 63 8.774 -0.715 -11.032 1.00 1.83 C ATOM 970 CE LYS A 63 8.395 -2.078 -11.590 1.00 2.36 C ATOM 971 NZ LYS A 63 8.011 -2.004 -13.027 1.00 3.18 N ATOM 0 H LYS A 63 8.014 -2.508 -6.108 1.00 0.66 H new ATOM 0 HA LYS A 63 9.403 -0.152 -7.241 1.00 0.78 H new ATOM 0 HB2 LYS A 63 8.748 -2.546 -8.579 1.00 1.11 H new ATOM 0 HB3 LYS A 63 7.478 -1.424 -9.026 1.00 1.11 H new ATOM 0 HG2 LYS A 63 9.722 0.152 -9.313 1.00 1.28 H new ATOM 0 HG3 LYS A 63 10.345 -1.426 -9.755 1.00 1.28 H new ATOM 0 HD2 LYS A 63 7.883 -0.092 -10.953 1.00 1.83 H new ATOM 0 HD3 LYS A 63 9.453 -0.214 -11.722 1.00 1.83 H new ATOM 0 HE2 LYS A 63 9.234 -2.764 -11.474 1.00 2.36 H new ATOM 0 HE3 LYS A 63 7.566 -2.488 -11.014 1.00 2.36 H new ATOM 0 HZ1 LYS A 63 7.760 -2.954 -13.369 1.00 3.18 H new ATOM 0 HZ2 LYS A 63 7.194 -1.370 -13.136 1.00 3.18 H new ATOM 0 HZ3 LYS A 63 8.811 -1.637 -13.582 1.00 3.18 H new ATOM 985 N VAL A 64 7.275 1.191 -7.299 1.00 0.81 N ATOM 986 CA VAL A 64 6.105 2.027 -7.062 1.00 0.77 C ATOM 987 C VAL A 64 5.780 2.894 -8.275 1.00 0.82 C ATOM 988 O VAL A 64 6.671 3.483 -8.888 1.00 0.89 O ATOM 989 CB VAL A 64 6.306 2.936 -5.835 1.00 0.85 C ATOM 990 CG1 VAL A 64 6.375 2.107 -4.562 1.00 1.49 C ATOM 991 CG2 VAL A 64 7.560 3.782 -5.999 1.00 1.71 C ATOM 0 H VAL A 64 8.063 1.677 -7.728 1.00 0.81 H new ATOM 0 HA VAL A 64 5.271 1.350 -6.876 1.00 0.77 H new ATOM 0 HB VAL A 64 5.450 3.607 -5.757 1.00 0.85 H new ATOM 0 HG11 VAL A 64 6.517 2.766 -3.706 1.00 1.49 H new ATOM 0 HG12 VAL A 64 5.446 1.549 -4.440 1.00 1.49 H new ATOM 0 HG13 VAL A 64 7.211 1.410 -4.626 1.00 1.49 H new ATOM 0 HG21 VAL A 64 7.687 4.418 -5.123 1.00 1.71 H new ATOM 0 HG22 VAL A 64 8.428 3.130 -6.103 1.00 1.71 H new ATOM 0 HG23 VAL A 64 7.465 4.404 -6.889 1.00 1.71 H new ATOM 1001 N ARG A 65 4.496 2.964 -8.614 1.00 0.82 N ATOM 1002 CA ARG A 65 4.042 3.753 -9.754 1.00 0.92 C ATOM 1003 C ARG A 65 4.058 5.244 -9.433 1.00 1.03 C ATOM 1004 O ARG A 65 3.324 5.708 -8.562 1.00 1.18 O ATOM 1005 CB ARG A 65 2.629 3.328 -10.159 1.00 0.96 C ATOM 1006 CG ARG A 65 2.276 3.683 -11.593 1.00 1.51 C ATOM 1007 CD ARG A 65 1.427 2.602 -12.239 1.00 2.02 C ATOM 1008 NE ARG A 65 2.225 1.439 -12.617 1.00 2.60 N ATOM 1009 CZ ARG A 65 3.009 1.403 -13.690 1.00 3.22 C ATOM 1010 NH1 ARG A 65 3.100 2.462 -14.482 1.00 3.52 N ATOM 1011 NH2 ARG A 65 3.704 0.309 -13.969 1.00 3.99 N ATOM 0 H ARG A 65 3.749 2.482 -8.113 1.00 0.82 H new ATOM 0 HA ARG A 65 4.727 3.572 -10.582 1.00 0.92 H new ATOM 0 HB2 ARG A 65 2.530 2.251 -10.025 1.00 0.96 H new ATOM 0 HB3 ARG A 65 1.910 3.800 -9.489 1.00 0.96 H new ATOM 0 HG2 ARG A 65 1.738 4.631 -11.613 1.00 1.51 H new ATOM 0 HG3 ARG A 65 3.190 3.823 -12.170 1.00 1.51 H new ATOM 0 HD2 ARG A 65 0.642 2.295 -11.548 1.00 2.02 H new ATOM 0 HD3 ARG A 65 0.934 3.007 -13.123 1.00 2.02 H new ATOM 0 HE ARG A 65 2.178 0.609 -12.026 1.00 2.60 H new ATOM 0 HH11 ARG A 65 2.568 3.306 -14.268 1.00 3.52 H new ATOM 0 HH12 ARG A 65 3.702 2.433 -15.305 1.00 3.52 H new ATOM 0 HH21 ARG A 65 3.638 -0.507 -13.360 1.00 3.99 H new ATOM 0 HH22 ARG A 65 4.305 0.283 -14.793 1.00 3.99 H new ATOM 1025 N ASN A 66 4.899 5.988 -10.148 1.00 1.03 N ATOM 1026 CA ASN A 66 5.016 7.432 -9.952 1.00 1.16 C ATOM 1027 C ASN A 66 5.143 7.780 -8.468 1.00 1.03 C ATOM 1028 O ASN A 66 6.250 7.847 -7.934 1.00 1.79 O ATOM 1029 CB ASN A 66 3.815 8.151 -10.571 1.00 1.96 C ATOM 1030 CG ASN A 66 3.981 8.371 -12.063 1.00 2.83 C ATOM 1031 OD1 ASN A 66 4.165 7.424 -12.825 1.00 3.41 O ATOM 1032 ND2 ASN A 66 3.917 9.629 -12.486 1.00 3.48 N ATOM 0 H ASN A 66 5.512 5.613 -10.872 1.00 1.03 H new ATOM 0 HA ASN A 66 5.923 7.769 -10.453 1.00 1.16 H new ATOM 0 HB2 ASN A 66 2.912 7.567 -10.390 1.00 1.96 H new ATOM 0 HB3 ASN A 66 3.676 9.113 -10.077 1.00 1.96 H new ATOM 0 HD21 ASN A 66 4.022 9.839 -13.479 1.00 3.48 H new ATOM 0 HD22 ASN A 66 3.763 10.384 -11.818 1.00 3.48 H new ATOM 1039 N GLN A 67 4.010 8.004 -7.803 1.00 1.15 N ATOM 1040 CA GLN A 67 4.019 8.342 -6.384 1.00 1.99 C ATOM 1041 C GLN A 67 2.600 8.491 -5.838 1.00 1.73 C ATOM 1042 O GLN A 67 2.353 9.305 -4.950 1.00 2.55 O ATOM 1043 CB GLN A 67 4.800 9.638 -6.157 1.00 2.86 C ATOM 1044 CG GLN A 67 5.991 9.478 -5.226 1.00 3.88 C ATOM 1045 CD GLN A 67 7.258 10.086 -5.793 1.00 4.69 C ATOM 1046 OE1 GLN A 67 7.663 11.182 -5.405 1.00 5.12 O ATOM 1047 NE2 GLN A 67 7.894 9.375 -6.716 1.00 5.31 N ATOM 0 H GLN A 67 3.081 7.958 -8.222 1.00 1.15 H new ATOM 0 HA GLN A 67 4.505 7.526 -5.849 1.00 1.99 H new ATOM 0 HB2 GLN A 67 5.149 10.014 -7.118 1.00 2.86 H new ATOM 0 HB3 GLN A 67 4.127 10.390 -5.746 1.00 2.86 H new ATOM 0 HG2 GLN A 67 5.764 9.946 -4.268 1.00 3.88 H new ATOM 0 HG3 GLN A 67 6.156 8.418 -5.032 1.00 3.88 H new ATOM 0 HE21 GLN A 67 7.523 8.471 -7.009 1.00 5.31 H new ATOM 0 HE22 GLN A 67 8.754 9.733 -7.133 1.00 5.31 H new ATOM 1056 N HIS A 68 1.674 7.692 -6.368 1.00 0.89 N ATOM 1057 CA HIS A 68 0.280 7.731 -5.927 1.00 0.62 C ATOM 1058 C HIS A 68 -0.607 6.906 -6.856 1.00 0.68 C ATOM 1059 O HIS A 68 -1.402 7.454 -7.621 1.00 1.37 O ATOM 1060 CB HIS A 68 -0.230 9.177 -5.869 1.00 0.63 C ATOM 1061 CG HIS A 68 0.091 9.978 -7.092 1.00 1.42 C ATOM 1062 ND1 HIS A 68 -0.691 9.963 -8.228 1.00 2.23 N ATOM 1063 CD2 HIS A 68 1.112 10.828 -7.353 1.00 2.22 C ATOM 1064 CE1 HIS A 68 -0.164 10.767 -9.135 1.00 2.85 C ATOM 1065 NE2 HIS A 68 0.930 11.303 -8.628 1.00 2.83 N ATOM 0 H HIS A 68 1.864 7.010 -7.103 1.00 0.89 H new ATOM 0 HA HIS A 68 0.235 7.301 -4.927 1.00 0.62 H new ATOM 0 HB2 HIS A 68 -1.311 9.166 -5.726 1.00 0.63 H new ATOM 0 HB3 HIS A 68 0.202 9.671 -4.998 1.00 0.63 H new ATOM 0 HD1 HIS A 68 -1.544 9.416 -8.349 1.00 2.23 H new ATOM 0 HD2 HIS A 68 1.919 11.085 -6.683 1.00 2.22 H new ATOM 0 HE1 HIS A 68 -0.561 10.953 -10.122 1.00 2.85 H new ATOM 1074 N TRP A 69 -0.466 5.586 -6.782 1.00 0.51 N ATOM 1075 CA TRP A 69 -1.256 4.683 -7.614 1.00 0.45 C ATOM 1076 C TRP A 69 -1.127 3.243 -7.124 1.00 0.37 C ATOM 1077 O TRP A 69 -1.960 2.764 -6.353 1.00 0.44 O ATOM 1078 CB TRP A 69 -0.812 4.782 -9.074 1.00 0.56 C ATOM 1079 CG TRP A 69 -1.735 5.604 -9.922 1.00 0.93 C ATOM 1080 CD1 TRP A 69 -3.097 5.518 -9.975 1.00 1.16 C ATOM 1081 CD2 TRP A 69 -1.363 6.638 -10.841 1.00 1.62 C ATOM 1082 NE1 TRP A 69 -3.594 6.433 -10.872 1.00 1.72 N ATOM 1083 CE2 TRP A 69 -2.550 7.134 -11.415 1.00 2.01 C ATOM 1084 CE3 TRP A 69 -0.142 7.195 -11.233 1.00 2.13 C ATOM 1085 CZ2 TRP A 69 -2.549 8.158 -12.359 1.00 2.74 C ATOM 1086 CZ3 TRP A 69 -0.143 8.210 -12.171 1.00 2.88 C ATOM 1087 CH2 TRP A 69 -1.340 8.683 -12.725 1.00 3.14 C ATOM 0 H TRP A 69 0.188 5.117 -6.155 1.00 0.51 H new ATOM 0 HA TRP A 69 -2.302 4.980 -7.541 1.00 0.45 H new ATOM 0 HB2 TRP A 69 0.188 5.215 -9.114 1.00 0.56 H new ATOM 0 HB3 TRP A 69 -0.742 3.778 -9.494 1.00 0.56 H new ATOM 0 HD1 TRP A 69 -3.696 4.831 -9.396 1.00 1.16 H new ATOM 0 HE1 TRP A 69 -4.580 6.568 -11.097 1.00 1.72 H new ATOM 0 HE3 TRP A 69 0.786 6.838 -10.810 1.00 2.13 H new ATOM 0 HZ2 TRP A 69 -3.470 8.525 -12.787 1.00 2.74 H new ATOM 0 HZ3 TRP A 69 0.795 8.646 -12.482 1.00 2.88 H new ATOM 0 HH2 TRP A 69 -1.307 9.478 -13.455 1.00 3.14 H new ATOM 1098 N SER A 70 -0.077 2.557 -7.569 1.00 0.35 N ATOM 1099 CA SER A 70 0.160 1.175 -7.168 1.00 0.33 C ATOM 1100 C SER A 70 1.574 1.013 -6.618 1.00 0.36 C ATOM 1101 O SER A 70 2.476 1.773 -6.969 1.00 0.39 O ATOM 1102 CB SER A 70 -0.052 0.230 -8.353 1.00 0.40 C ATOM 1103 OG SER A 70 0.729 0.623 -9.469 1.00 1.02 O ATOM 0 H SER A 70 0.622 2.937 -8.207 1.00 0.35 H new ATOM 0 HA SER A 70 -0.553 0.920 -6.384 1.00 0.33 H new ATOM 0 HB2 SER A 70 0.211 -0.787 -8.062 1.00 0.40 H new ATOM 0 HB3 SER A 70 -1.106 0.220 -8.629 1.00 0.40 H new ATOM 0 HG SER A 70 0.576 0.001 -10.211 1.00 1.02 H new ATOM 1109 N LEU A 71 1.764 0.009 -5.768 1.00 0.38 N ATOM 1110 CA LEU A 71 3.073 -0.261 -5.186 1.00 0.44 C ATOM 1111 C LEU A 71 3.296 -1.765 -5.056 1.00 0.44 C ATOM 1112 O LEU A 71 2.581 -2.443 -4.316 1.00 0.52 O ATOM 1113 CB LEU A 71 3.208 0.413 -3.819 1.00 0.51 C ATOM 1114 CG LEU A 71 1.944 0.391 -2.957 1.00 0.63 C ATOM 1115 CD1 LEU A 71 2.284 0.003 -1.526 1.00 0.98 C ATOM 1116 CD2 LEU A 71 1.252 1.745 -2.992 1.00 0.80 C ATOM 0 H LEU A 71 1.028 -0.630 -5.467 1.00 0.38 H new ATOM 0 HA LEU A 71 3.833 0.151 -5.850 1.00 0.44 H new ATOM 0 HB2 LEU A 71 4.013 -0.074 -3.269 1.00 0.51 H new ATOM 0 HB3 LEU A 71 3.508 1.450 -3.970 1.00 0.51 H new ATOM 0 HG LEU A 71 1.261 -0.355 -3.364 1.00 0.63 H new ATOM 0 HD11 LEU A 71 1.374 -0.008 -0.926 1.00 0.98 H new ATOM 0 HD12 LEU A 71 2.737 -0.988 -1.516 1.00 0.98 H new ATOM 0 HD13 LEU A 71 2.985 0.727 -1.109 1.00 0.98 H new ATOM 0 HD21 LEU A 71 0.355 1.711 -2.374 1.00 0.80 H new ATOM 0 HD22 LEU A 71 1.928 2.509 -2.609 1.00 0.80 H new ATOM 0 HD23 LEU A 71 0.976 1.986 -4.019 1.00 0.80 H new ATOM 1128 N ILE A 72 4.285 -2.285 -5.773 1.00 0.39 N ATOM 1129 CA ILE A 72 4.585 -3.711 -5.727 1.00 0.39 C ATOM 1130 C ILE A 72 5.787 -3.998 -4.836 1.00 0.36 C ATOM 1131 O ILE A 72 6.885 -3.491 -5.072 1.00 0.38 O ATOM 1132 CB ILE A 72 4.851 -4.281 -7.133 1.00 0.42 C ATOM 1133 CG1 ILE A 72 5.058 -5.795 -7.059 1.00 0.44 C ATOM 1134 CG2 ILE A 72 6.060 -3.602 -7.759 1.00 0.45 C ATOM 1135 CD1 ILE A 72 5.193 -6.452 -8.415 1.00 1.12 C ATOM 0 H ILE A 72 4.890 -1.744 -6.390 1.00 0.39 H new ATOM 0 HA ILE A 72 3.705 -4.200 -5.308 1.00 0.39 H new ATOM 0 HB ILE A 72 3.984 -4.083 -7.763 1.00 0.42 H new ATOM 0 HG12 ILE A 72 5.953 -6.003 -6.472 1.00 0.44 H new ATOM 0 HG13 ILE A 72 4.218 -6.243 -6.529 1.00 0.44 H new ATOM 0 HG21 ILE A 72 6.236 -4.015 -8.752 1.00 0.45 H new ATOM 0 HG22 ILE A 72 5.875 -2.531 -7.839 1.00 0.45 H new ATOM 0 HG23 ILE A 72 6.937 -3.773 -7.135 1.00 0.45 H new ATOM 0 HD11 ILE A 72 5.337 -7.525 -8.287 1.00 1.12 H new ATOM 0 HD12 ILE A 72 4.289 -6.274 -8.997 1.00 1.12 H new ATOM 0 HD13 ILE A 72 6.051 -6.031 -8.940 1.00 1.12 H new ATOM 1147 N MET A 73 5.571 -4.818 -3.814 1.00 0.36 N ATOM 1148 CA MET A 73 6.632 -5.181 -2.882 1.00 0.36 C ATOM 1149 C MET A 73 6.891 -6.682 -2.920 1.00 0.33 C ATOM 1150 O MET A 73 5.966 -7.479 -3.075 1.00 0.43 O ATOM 1151 CB MET A 73 6.260 -4.752 -1.462 1.00 0.43 C ATOM 1152 CG MET A 73 4.868 -5.191 -1.040 1.00 0.83 C ATOM 1153 SD MET A 73 4.343 -4.443 0.513 1.00 1.86 S ATOM 1154 CE MET A 73 5.758 -4.795 1.554 1.00 2.56 C ATOM 0 H MET A 73 4.668 -5.245 -3.609 1.00 0.36 H new ATOM 0 HA MET A 73 7.543 -4.663 -3.183 1.00 0.36 H new ATOM 0 HB2 MET A 73 6.989 -5.164 -0.764 1.00 0.43 H new ATOM 0 HB3 MET A 73 6.327 -3.666 -1.390 1.00 0.43 H new ATOM 0 HG2 MET A 73 4.156 -4.930 -1.823 1.00 0.83 H new ATOM 0 HG3 MET A 73 4.848 -6.276 -0.941 1.00 0.83 H new ATOM 0 HE1 MET A 73 5.517 -4.555 2.589 1.00 2.56 H new ATOM 0 HE2 MET A 73 6.013 -5.852 1.476 1.00 2.56 H new ATOM 0 HE3 MET A 73 6.607 -4.192 1.230 1.00 2.56 H new ATOM 1164 N GLU A 74 8.155 -7.060 -2.779 1.00 0.33 N ATOM 1165 CA GLU A 74 8.540 -8.467 -2.796 1.00 0.31 C ATOM 1166 C GLU A 74 8.586 -9.033 -1.381 1.00 0.31 C ATOM 1167 O GLU A 74 9.345 -8.554 -0.542 1.00 0.37 O ATOM 1168 CB GLU A 74 9.910 -8.623 -3.464 1.00 0.37 C ATOM 1169 CG GLU A 74 10.492 -10.024 -3.347 1.00 0.41 C ATOM 1170 CD GLU A 74 10.726 -10.674 -4.697 1.00 0.89 C ATOM 1171 OE1 GLU A 74 10.918 -9.936 -5.686 1.00 1.12 O ATOM 1172 OE2 GLU A 74 10.714 -11.921 -4.765 1.00 1.52 O ATOM 0 H GLU A 74 8.932 -6.412 -2.651 1.00 0.33 H new ATOM 0 HA GLU A 74 7.794 -9.022 -3.365 1.00 0.31 H new ATOM 0 HB2 GLU A 74 9.822 -8.363 -4.519 1.00 0.37 H new ATOM 0 HB3 GLU A 74 10.605 -7.912 -3.017 1.00 0.37 H new ATOM 0 HG2 GLU A 74 11.435 -9.977 -2.802 1.00 0.41 H new ATOM 0 HG3 GLU A 74 9.816 -10.646 -2.761 1.00 0.41 H new ATOM 1179 N SER A 75 7.777 -10.056 -1.121 1.00 0.29 N ATOM 1180 CA SER A 75 7.744 -10.675 0.197 1.00 0.33 C ATOM 1181 C SER A 75 7.846 -12.193 0.092 1.00 0.33 C ATOM 1182 O SER A 75 6.847 -12.876 -0.134 1.00 0.38 O ATOM 1183 CB SER A 75 6.460 -10.288 0.933 1.00 0.41 C ATOM 1184 OG SER A 75 5.355 -11.039 0.459 1.00 1.32 O ATOM 0 H SER A 75 7.140 -10.470 -1.801 1.00 0.29 H new ATOM 0 HA SER A 75 8.603 -10.311 0.761 1.00 0.33 H new ATOM 0 HB2 SER A 75 6.586 -10.455 2.003 1.00 0.41 H new ATOM 0 HB3 SER A 75 6.266 -9.224 0.797 1.00 0.41 H new ATOM 0 HG SER A 75 5.677 -11.856 0.024 1.00 1.32 H new ATOM 1190 N VAL A 76 9.055 -12.714 0.269 1.00 0.37 N ATOM 1191 CA VAL A 76 9.280 -14.153 0.207 1.00 0.41 C ATOM 1192 C VAL A 76 9.070 -14.779 1.579 1.00 0.43 C ATOM 1193 O VAL A 76 8.375 -15.786 1.716 1.00 0.46 O ATOM 1194 CB VAL A 76 10.699 -14.490 -0.300 1.00 0.48 C ATOM 1195 CG1 VAL A 76 11.757 -13.956 0.654 1.00 1.54 C ATOM 1196 CG2 VAL A 76 10.852 -15.992 -0.492 1.00 1.33 C ATOM 0 H VAL A 76 9.893 -12.163 0.456 1.00 0.37 H new ATOM 0 HA VAL A 76 8.560 -14.564 -0.500 1.00 0.41 H new ATOM 0 HB VAL A 76 10.842 -14.004 -1.265 1.00 0.48 H new ATOM 0 HG11 VAL A 76 12.748 -14.206 0.275 1.00 1.54 H new ATOM 0 HG12 VAL A 76 11.662 -12.873 0.734 1.00 1.54 H new ATOM 0 HG13 VAL A 76 11.620 -14.406 1.637 1.00 1.54 H new ATOM 0 HG21 VAL A 76 11.858 -16.213 -0.850 1.00 1.33 H new ATOM 0 HG22 VAL A 76 10.686 -16.499 0.458 1.00 1.33 H new ATOM 0 HG23 VAL A 76 10.122 -16.342 -1.222 1.00 1.33 H new ATOM 1206 N VAL A 77 9.665 -14.163 2.595 1.00 0.45 N ATOM 1207 CA VAL A 77 9.539 -14.645 3.966 1.00 0.49 C ATOM 1208 C VAL A 77 8.360 -13.980 4.682 1.00 0.45 C ATOM 1209 O VAL A 77 7.574 -14.655 5.346 1.00 0.47 O ATOM 1210 CB VAL A 77 10.825 -14.403 4.777 1.00 0.57 C ATOM 1211 CG1 VAL A 77 10.831 -15.255 6.037 1.00 0.80 C ATOM 1212 CG2 VAL A 77 12.054 -14.691 3.928 1.00 0.77 C ATOM 0 H VAL A 77 10.241 -13.327 2.495 1.00 0.45 H new ATOM 0 HA VAL A 77 9.362 -15.719 3.903 1.00 0.49 H new ATOM 0 HB VAL A 77 10.852 -13.354 5.074 1.00 0.57 H new ATOM 0 HG11 VAL A 77 11.748 -15.070 6.597 1.00 0.80 H new ATOM 0 HG12 VAL A 77 9.970 -14.997 6.654 1.00 0.80 H new ATOM 0 HG13 VAL A 77 10.779 -16.309 5.764 1.00 0.80 H new ATOM 0 HG21 VAL A 77 12.953 -14.514 4.518 1.00 0.77 H new ATOM 0 HG22 VAL A 77 12.034 -15.730 3.599 1.00 0.77 H new ATOM 0 HG23 VAL A 77 12.057 -14.035 3.057 1.00 0.77 H new ATOM 1222 N PRO A 78 8.213 -12.644 4.561 1.00 0.43 N ATOM 1223 CA PRO A 78 7.116 -11.911 5.205 1.00 0.41 C ATOM 1224 C PRO A 78 5.747 -12.360 4.707 1.00 0.35 C ATOM 1225 O PRO A 78 4.728 -12.095 5.347 1.00 0.34 O ATOM 1226 CB PRO A 78 7.370 -10.448 4.821 1.00 0.42 C ATOM 1227 CG PRO A 78 8.795 -10.398 4.389 1.00 0.48 C ATOM 1228 CD PRO A 78 9.091 -11.745 3.795 1.00 0.46 C ATOM 0 HA PRO A 78 7.100 -12.081 6.282 1.00 0.41 H new ATOM 0 HB2 PRO A 78 6.704 -10.130 4.019 1.00 0.42 H new ATOM 0 HB3 PRO A 78 7.191 -9.783 5.666 1.00 0.42 H new ATOM 0 HG2 PRO A 78 8.954 -9.605 3.658 1.00 0.48 H new ATOM 0 HG3 PRO A 78 9.452 -10.190 5.233 1.00 0.48 H new ATOM 0 HD2 PRO A 78 8.867 -11.774 2.729 1.00 0.46 H new ATOM 0 HD3 PRO A 78 10.141 -12.014 3.908 1.00 0.46 H new ATOM 1236 N SER A 79 5.722 -13.046 3.565 1.00 0.34 N ATOM 1237 CA SER A 79 4.469 -13.529 2.998 1.00 0.34 C ATOM 1238 C SER A 79 3.693 -14.331 4.033 1.00 0.38 C ATOM 1239 O SER A 79 2.469 -14.439 3.958 1.00 0.39 O ATOM 1240 CB SER A 79 4.743 -14.390 1.764 1.00 0.39 C ATOM 1241 OG SER A 79 3.609 -15.164 1.418 1.00 1.13 O ATOM 0 H SER A 79 6.552 -13.278 3.019 1.00 0.34 H new ATOM 0 HA SER A 79 3.869 -12.669 2.701 1.00 0.34 H new ATOM 0 HB2 SER A 79 5.020 -13.751 0.926 1.00 0.39 H new ATOM 0 HB3 SER A 79 5.590 -15.048 1.957 1.00 0.39 H new ATOM 0 HG SER A 79 3.680 -15.448 0.483 1.00 1.13 H new ATOM 1247 N ASP A 80 4.408 -14.876 5.014 1.00 0.43 N ATOM 1248 CA ASP A 80 3.772 -15.644 6.073 1.00 0.50 C ATOM 1249 C ASP A 80 2.720 -14.789 6.771 1.00 0.42 C ATOM 1250 O ASP A 80 1.770 -15.309 7.358 1.00 0.47 O ATOM 1251 CB ASP A 80 4.814 -16.129 7.083 1.00 0.62 C ATOM 1252 CG ASP A 80 5.579 -14.985 7.718 1.00 1.27 C ATOM 1253 OD1 ASP A 80 5.618 -13.891 7.118 1.00 2.02 O ATOM 1254 OD2 ASP A 80 6.143 -15.185 8.815 1.00 1.69 O ATOM 0 H ASP A 80 5.422 -14.799 5.095 1.00 0.43 H new ATOM 0 HA ASP A 80 3.288 -16.516 5.633 1.00 0.50 H new ATOM 0 HB2 ASP A 80 4.319 -16.708 7.862 1.00 0.62 H new ATOM 0 HB3 ASP A 80 5.515 -16.799 6.585 1.00 0.62 H new ATOM 1259 N LYS A 81 2.896 -13.471 6.694 1.00 0.38 N ATOM 1260 CA LYS A 81 1.967 -12.535 7.306 1.00 0.33 C ATOM 1261 C LYS A 81 1.070 -11.905 6.241 1.00 0.26 C ATOM 1262 O LYS A 81 1.527 -11.107 5.423 1.00 0.27 O ATOM 1263 CB LYS A 81 2.751 -11.451 8.056 1.00 0.40 C ATOM 1264 CG LYS A 81 1.927 -10.233 8.445 1.00 0.91 C ATOM 1265 CD LYS A 81 2.280 -9.024 7.591 1.00 1.02 C ATOM 1266 CE LYS A 81 3.743 -8.637 7.740 1.00 0.87 C ATOM 1267 NZ LYS A 81 4.232 -8.840 9.132 1.00 1.23 N ATOM 0 H LYS A 81 3.678 -13.030 6.211 1.00 0.38 H new ATOM 0 HA LYS A 81 1.333 -13.070 8.013 1.00 0.33 H new ATOM 0 HB2 LYS A 81 3.179 -11.888 8.958 1.00 0.40 H new ATOM 0 HB3 LYS A 81 3.585 -11.126 7.433 1.00 0.40 H new ATOM 0 HG2 LYS A 81 0.867 -10.460 8.335 1.00 0.91 H new ATOM 0 HG3 LYS A 81 2.096 -9.999 9.496 1.00 0.91 H new ATOM 0 HD2 LYS A 81 2.066 -9.243 6.545 1.00 1.02 H new ATOM 0 HD3 LYS A 81 1.650 -8.181 7.875 1.00 1.02 H new ATOM 0 HE2 LYS A 81 4.347 -9.230 7.053 1.00 0.87 H new ATOM 0 HE3 LYS A 81 3.873 -7.592 7.458 1.00 0.87 H new ATOM 0 HZ1 LYS A 81 5.126 -8.325 9.265 1.00 1.23 H new ATOM 0 HZ2 LYS A 81 3.523 -8.483 9.804 1.00 1.23 H new ATOM 0 HZ3 LYS A 81 4.389 -9.854 9.300 1.00 1.23 H new ATOM 1281 N GLY A 82 -0.204 -12.280 6.252 1.00 0.24 N ATOM 1282 CA GLY A 82 -1.143 -11.755 5.278 1.00 0.24 C ATOM 1283 C GLY A 82 -2.056 -10.682 5.846 1.00 0.28 C ATOM 1284 O GLY A 82 -3.276 -10.753 5.705 1.00 0.53 O ATOM 0 H GLY A 82 -0.604 -12.940 6.919 1.00 0.24 H new ATOM 0 HA2 GLY A 82 -0.589 -11.343 4.434 1.00 0.24 H new ATOM 0 HA3 GLY A 82 -1.751 -12.573 4.891 1.00 0.24 H new ATOM 1288 N ASN A 83 -1.457 -9.670 6.460 1.00 0.23 N ATOM 1289 CA ASN A 83 -2.211 -8.555 7.018 1.00 0.28 C ATOM 1290 C ASN A 83 -1.681 -7.249 6.441 1.00 0.30 C ATOM 1291 O ASN A 83 -0.543 -6.866 6.710 1.00 0.36 O ATOM 1292 CB ASN A 83 -2.110 -8.542 8.543 1.00 0.40 C ATOM 1293 CG ASN A 83 -3.467 -8.651 9.212 1.00 0.82 C ATOM 1294 OD1 ASN A 83 -4.406 -9.212 8.649 1.00 1.63 O ATOM 1295 ND2 ASN A 83 -3.578 -8.111 10.421 1.00 0.96 N ATOM 0 H ASN A 83 -0.447 -9.598 6.585 1.00 0.23 H new ATOM 0 HA ASN A 83 -3.262 -8.669 6.752 1.00 0.28 H new ATOM 0 HB2 ASN A 83 -1.479 -9.369 8.870 1.00 0.40 H new ATOM 0 HB3 ASN A 83 -1.622 -7.622 8.865 1.00 0.40 H new ATOM 0 HD21 ASN A 83 -4.468 -8.153 10.918 1.00 0.96 H new ATOM 0 HD22 ASN A 83 -2.774 -7.655 10.852 1.00 0.96 H new ATOM 1302 N TYR A 84 -2.485 -6.578 5.625 1.00 0.33 N ATOM 1303 CA TYR A 84 -2.041 -5.337 5.006 1.00 0.40 C ATOM 1304 C TYR A 84 -2.858 -4.134 5.460 1.00 0.35 C ATOM 1305 O TYR A 84 -4.086 -4.174 5.494 1.00 0.44 O ATOM 1306 CB TYR A 84 -2.097 -5.467 3.485 1.00 0.57 C ATOM 1307 CG TYR A 84 -1.201 -6.559 2.950 1.00 1.17 C ATOM 1308 CD1 TYR A 84 -1.526 -7.899 3.123 1.00 1.96 C ATOM 1309 CD2 TYR A 84 -0.033 -6.250 2.264 1.00 1.74 C ATOM 1310 CE1 TYR A 84 -0.711 -8.899 2.629 1.00 2.76 C ATOM 1311 CE2 TYR A 84 0.786 -7.245 1.766 1.00 2.46 C ATOM 1312 CZ TYR A 84 0.454 -8.570 1.978 1.00 2.86 C ATOM 1313 OH TYR A 84 1.256 -9.561 1.457 1.00 3.72 O ATOM 0 H TYR A 84 -3.432 -6.867 5.380 1.00 0.33 H new ATOM 0 HA TYR A 84 -1.013 -5.164 5.325 1.00 0.40 H new ATOM 0 HB2 TYR A 84 -3.124 -5.667 3.181 1.00 0.57 H new ATOM 0 HB3 TYR A 84 -1.810 -4.517 3.034 1.00 0.57 H new ATOM 0 HD1 TYR A 84 -2.430 -8.163 3.652 1.00 1.96 H new ATOM 0 HD2 TYR A 84 0.239 -5.215 2.118 1.00 1.74 H new ATOM 0 HE1 TYR A 84 -0.988 -9.935 2.754 1.00 2.76 H new ATOM 0 HE2 TYR A 84 1.679 -6.989 1.215 1.00 2.46 H new ATOM 0 HH TYR A 84 0.703 -10.327 1.197 1.00 3.72 H new ATOM 1323 N THR A 85 -2.150 -3.062 5.796 1.00 0.32 N ATOM 1324 CA THR A 85 -2.774 -1.822 6.231 1.00 0.33 C ATOM 1325 C THR A 85 -2.247 -0.647 5.412 1.00 0.29 C ATOM 1326 O THR A 85 -1.049 -0.366 5.418 1.00 0.31 O ATOM 1327 CB THR A 85 -2.522 -1.551 7.725 1.00 0.45 C ATOM 1328 OG1 THR A 85 -2.275 -2.784 8.412 1.00 1.14 O ATOM 1329 CG2 THR A 85 -3.715 -0.845 8.355 1.00 1.00 C ATOM 0 H THR A 85 -1.131 -3.029 5.774 1.00 0.32 H new ATOM 0 HA THR A 85 -3.848 -1.929 6.076 1.00 0.33 H new ATOM 0 HB THR A 85 -1.648 -0.905 7.812 1.00 0.45 H new ATOM 0 HG1 THR A 85 -1.388 -3.123 8.168 1.00 1.14 H new ATOM 0 HG21 THR A 85 -3.514 -0.664 9.411 1.00 1.00 H new ATOM 0 HG22 THR A 85 -3.884 0.106 7.849 1.00 1.00 H new ATOM 0 HG23 THR A 85 -4.602 -1.471 8.256 1.00 1.00 H new ATOM 1337 N CYS A 86 -3.141 0.038 4.710 1.00 0.30 N ATOM 1338 CA CYS A 86 -2.753 1.183 3.892 1.00 0.30 C ATOM 1339 C CYS A 86 -3.189 2.484 4.553 1.00 0.30 C ATOM 1340 O CYS A 86 -4.377 2.805 4.590 1.00 0.31 O ATOM 1341 CB CYS A 86 -3.369 1.072 2.494 1.00 0.36 C ATOM 1342 SG CYS A 86 -2.692 2.252 1.283 1.00 0.65 S ATOM 0 H CYS A 86 -4.138 -0.178 4.690 1.00 0.30 H new ATOM 0 HA CYS A 86 -1.667 1.186 3.799 1.00 0.30 H new ATOM 0 HB2 CYS A 86 -3.217 0.059 2.122 1.00 0.36 H new ATOM 0 HB3 CYS A 86 -4.446 1.225 2.571 1.00 0.36 H new ATOM 1347 N VAL A 87 -2.222 3.230 5.072 1.00 0.29 N ATOM 1348 CA VAL A 87 -2.513 4.497 5.729 1.00 0.30 C ATOM 1349 C VAL A 87 -2.020 5.673 4.895 1.00 0.31 C ATOM 1350 O VAL A 87 -0.821 5.951 4.851 1.00 0.30 O ATOM 1351 CB VAL A 87 -1.870 4.571 7.125 1.00 0.33 C ATOM 1352 CG1 VAL A 87 -2.404 5.766 7.895 1.00 0.94 C ATOM 1353 CG2 VAL A 87 -2.108 3.279 7.893 1.00 0.97 C ATOM 0 H VAL A 87 -1.233 2.981 5.051 1.00 0.29 H new ATOM 0 HA VAL A 87 -3.596 4.554 5.834 1.00 0.30 H new ATOM 0 HB VAL A 87 -0.794 4.699 7.004 1.00 0.33 H new ATOM 0 HG11 VAL A 87 -1.938 5.802 8.880 1.00 0.94 H new ATOM 0 HG12 VAL A 87 -2.174 6.682 7.351 1.00 0.94 H new ATOM 0 HG13 VAL A 87 -3.484 5.673 8.008 1.00 0.94 H new ATOM 0 HG21 VAL A 87 -1.646 3.351 8.878 1.00 0.97 H new ATOM 0 HG22 VAL A 87 -3.180 3.115 8.006 1.00 0.97 H new ATOM 0 HG23 VAL A 87 -1.669 2.445 7.346 1.00 0.97 H new ATOM 1363 N VAL A 88 -2.944 6.367 4.238 1.00 0.32 N ATOM 1364 CA VAL A 88 -2.577 7.513 3.418 1.00 0.33 C ATOM 1365 C VAL A 88 -2.844 8.821 4.152 1.00 0.30 C ATOM 1366 O VAL A 88 -3.992 9.166 4.426 1.00 0.30 O ATOM 1367 CB VAL A 88 -3.352 7.523 2.088 1.00 0.36 C ATOM 1368 CG1 VAL A 88 -2.726 8.507 1.112 1.00 1.45 C ATOM 1369 CG2 VAL A 88 -3.405 6.125 1.488 1.00 1.50 C ATOM 0 H VAL A 88 -3.942 6.158 4.257 1.00 0.32 H new ATOM 0 HA VAL A 88 -1.511 7.424 3.211 1.00 0.33 H new ATOM 0 HB VAL A 88 -4.374 7.846 2.288 1.00 0.36 H new ATOM 0 HG11 VAL A 88 -3.288 8.500 0.178 1.00 1.45 H new ATOM 0 HG12 VAL A 88 -2.748 9.509 1.541 1.00 1.45 H new ATOM 0 HG13 VAL A 88 -1.693 8.219 0.917 1.00 1.45 H new ATOM 0 HG21 VAL A 88 -3.957 6.153 0.548 1.00 1.50 H new ATOM 0 HG22 VAL A 88 -2.391 5.770 1.303 1.00 1.50 H new ATOM 0 HG23 VAL A 88 -3.905 5.450 2.182 1.00 1.50 H new ATOM 1379 N GLU A 89 -1.773 9.539 4.477 1.00 0.32 N ATOM 1380 CA GLU A 89 -1.892 10.803 5.193 1.00 0.32 C ATOM 1381 C GLU A 89 -1.729 11.987 4.251 1.00 0.31 C ATOM 1382 O GLU A 89 -1.059 11.892 3.219 1.00 0.32 O ATOM 1383 CB GLU A 89 -0.852 10.881 6.312 1.00 0.37 C ATOM 1384 CG GLU A 89 -1.215 11.863 7.413 1.00 0.43 C ATOM 1385 CD GLU A 89 -0.228 13.010 7.521 1.00 0.83 C ATOM 1386 OE1 GLU A 89 -0.269 13.911 6.658 1.00 1.46 O ATOM 1387 OE2 GLU A 89 0.584 13.006 8.470 1.00 1.33 O ATOM 0 H GLU A 89 -0.815 9.267 4.256 1.00 0.32 H new ATOM 0 HA GLU A 89 -2.890 10.847 5.628 1.00 0.32 H new ATOM 0 HB2 GLU A 89 -0.725 9.890 6.748 1.00 0.37 H new ATOM 0 HB3 GLU A 89 0.109 11.167 5.884 1.00 0.37 H new ATOM 0 HG2 GLU A 89 -2.211 12.263 7.224 1.00 0.43 H new ATOM 0 HG3 GLU A 89 -1.258 11.335 8.366 1.00 0.43 H new ATOM 1394 N ASN A 90 -2.325 13.113 4.629 1.00 0.33 N ATOM 1395 CA ASN A 90 -2.233 14.337 3.852 1.00 0.36 C ATOM 1396 C ASN A 90 -2.148 15.528 4.800 1.00 0.43 C ATOM 1397 O ASN A 90 -2.213 15.360 6.019 1.00 0.39 O ATOM 1398 CB ASN A 90 -3.444 14.481 2.931 1.00 0.37 C ATOM 1399 CG ASN A 90 -4.753 14.428 3.691 1.00 0.52 C ATOM 1400 OD1 ASN A 90 -5.236 15.444 4.192 1.00 1.54 O ATOM 1401 ND2 ASN A 90 -5.334 13.239 3.785 1.00 0.86 N ATOM 0 H ASN A 90 -2.882 13.200 5.479 1.00 0.33 H new ATOM 0 HA ASN A 90 -1.337 14.300 3.232 1.00 0.36 H new ATOM 0 HB2 ASN A 90 -3.377 15.426 2.392 1.00 0.37 H new ATOM 0 HB3 ASN A 90 -3.427 13.686 2.185 1.00 0.37 H new ATOM 0 HD21 ASN A 90 -6.216 13.141 4.288 1.00 0.86 H new ATOM 0 HD22 ASN A 90 -4.899 12.423 3.354 1.00 0.86 H new ATOM 1408 N GLU A 91 -2.022 16.725 4.251 1.00 0.57 N ATOM 1409 CA GLU A 91 -1.948 17.924 5.076 1.00 0.66 C ATOM 1410 C GLU A 91 -3.295 18.222 5.739 1.00 0.68 C ATOM 1411 O GLU A 91 -3.376 19.057 6.641 1.00 0.75 O ATOM 1412 CB GLU A 91 -1.507 19.125 4.239 1.00 0.76 C ATOM 1413 CG GLU A 91 -1.517 20.436 5.008 1.00 1.15 C ATOM 1414 CD GLU A 91 -2.861 21.135 4.951 1.00 1.72 C ATOM 1415 OE1 GLU A 91 -3.499 21.111 3.878 1.00 2.34 O ATOM 1416 OE2 GLU A 91 -3.277 21.706 5.982 1.00 2.24 O ATOM 0 H GLU A 91 -1.969 16.894 3.247 1.00 0.57 H new ATOM 0 HA GLU A 91 -1.210 17.743 5.858 1.00 0.66 H new ATOM 0 HB2 GLU A 91 -0.502 18.943 3.859 1.00 0.76 H new ATOM 0 HB3 GLU A 91 -2.163 19.215 3.374 1.00 0.76 H new ATOM 0 HG2 GLU A 91 -1.255 20.245 6.049 1.00 1.15 H new ATOM 0 HG3 GLU A 91 -0.751 21.097 4.603 1.00 1.15 H new ATOM 1423 N TYR A 92 -4.356 17.554 5.282 1.00 0.64 N ATOM 1424 CA TYR A 92 -5.689 17.779 5.833 1.00 0.68 C ATOM 1425 C TYR A 92 -6.189 16.594 6.664 1.00 0.60 C ATOM 1426 O TYR A 92 -7.294 16.642 7.205 1.00 0.63 O ATOM 1427 CB TYR A 92 -6.684 18.074 4.708 1.00 0.75 C ATOM 1428 CG TYR A 92 -7.526 19.309 4.950 1.00 1.12 C ATOM 1429 CD1 TYR A 92 -6.939 20.566 5.037 1.00 1.64 C ATOM 1430 CD2 TYR A 92 -8.905 19.215 5.092 1.00 1.54 C ATOM 1431 CE1 TYR A 92 -7.706 21.696 5.259 1.00 2.10 C ATOM 1432 CE2 TYR A 92 -9.677 20.341 5.313 1.00 2.05 C ATOM 1433 CZ TYR A 92 -9.072 21.578 5.396 1.00 2.19 C ATOM 1434 OH TYR A 92 -9.838 22.701 5.617 1.00 2.77 O ATOM 0 H TYR A 92 -4.317 16.858 4.537 1.00 0.64 H new ATOM 0 HA TYR A 92 -5.615 18.639 6.499 1.00 0.68 H new ATOM 0 HB2 TYR A 92 -6.137 18.195 3.773 1.00 0.75 H new ATOM 0 HB3 TYR A 92 -7.343 17.215 4.583 1.00 0.75 H new ATOM 0 HD1 TYR A 92 -5.869 20.662 4.930 1.00 1.64 H new ATOM 0 HD2 TYR A 92 -9.381 18.248 5.029 1.00 1.54 H new ATOM 0 HE1 TYR A 92 -7.236 22.666 5.325 1.00 2.10 H new ATOM 0 HE2 TYR A 92 -10.748 20.252 5.420 1.00 2.05 H new ATOM 0 HH TYR A 92 -10.781 22.445 5.689 1.00 2.77 H new ATOM 1444 N GLY A 93 -5.389 15.536 6.781 1.00 0.52 N ATOM 1445 CA GLY A 93 -5.820 14.391 7.569 1.00 0.47 C ATOM 1446 C GLY A 93 -5.162 13.084 7.168 1.00 0.40 C ATOM 1447 O GLY A 93 -4.465 13.012 6.156 1.00 0.40 O ATOM 0 H GLY A 93 -4.467 15.450 6.353 1.00 0.52 H new ATOM 0 HA2 GLY A 93 -5.607 14.586 8.620 1.00 0.47 H new ATOM 0 HA3 GLY A 93 -6.901 14.285 7.477 1.00 0.47 H new ATOM 1451 N SER A 94 -5.394 12.047 7.974 1.00 0.38 N ATOM 1452 CA SER A 94 -4.836 10.724 7.717 1.00 0.34 C ATOM 1453 C SER A 94 -5.919 9.650 7.786 1.00 0.34 C ATOM 1454 O SER A 94 -6.684 9.589 8.747 1.00 0.38 O ATOM 1455 CB SER A 94 -3.724 10.412 8.719 1.00 0.35 C ATOM 1456 OG SER A 94 -3.400 11.554 9.493 1.00 1.04 O ATOM 0 H SER A 94 -5.969 12.102 8.815 1.00 0.38 H new ATOM 0 HA SER A 94 -4.417 10.725 6.711 1.00 0.34 H new ATOM 0 HB2 SER A 94 -4.039 9.601 9.376 1.00 0.35 H new ATOM 0 HB3 SER A 94 -2.838 10.066 8.187 1.00 0.35 H new ATOM 0 HG SER A 94 -2.688 11.328 10.127 1.00 1.04 H new ATOM 1462 N ILE A 95 -5.982 8.811 6.757 1.00 0.32 N ATOM 1463 CA ILE A 95 -6.975 7.739 6.691 1.00 0.34 C ATOM 1464 C ILE A 95 -6.309 6.369 6.811 1.00 0.31 C ATOM 1465 O ILE A 95 -5.130 6.214 6.495 1.00 0.29 O ATOM 1466 CB ILE A 95 -7.801 7.786 5.381 1.00 0.38 C ATOM 1467 CG1 ILE A 95 -7.665 9.157 4.692 1.00 0.41 C ATOM 1468 CG2 ILE A 95 -9.259 7.461 5.682 1.00 0.44 C ATOM 1469 CD1 ILE A 95 -8.742 9.455 3.667 1.00 0.47 C ATOM 0 H ILE A 95 -5.355 8.852 5.953 1.00 0.32 H new ATOM 0 HA ILE A 95 -7.652 7.894 7.531 1.00 0.34 H new ATOM 0 HB ILE A 95 -7.412 7.037 4.691 1.00 0.38 H new ATOM 0 HG12 ILE A 95 -7.681 9.936 5.454 1.00 0.41 H new ATOM 0 HG13 ILE A 95 -6.692 9.209 4.204 1.00 0.41 H new ATOM 0 HG21 ILE A 95 -9.837 7.495 4.759 1.00 0.44 H new ATOM 0 HG22 ILE A 95 -9.327 6.464 6.117 1.00 0.44 H new ATOM 0 HG23 ILE A 95 -9.657 8.192 6.386 1.00 0.44 H new ATOM 0 HD11 ILE A 95 -8.568 10.439 3.232 1.00 0.47 H new ATOM 0 HD12 ILE A 95 -8.714 8.701 2.880 1.00 0.47 H new ATOM 0 HD13 ILE A 95 -9.719 9.439 4.150 1.00 0.47 H new ATOM 1481 N ASN A 96 -7.071 5.380 7.272 1.00 0.34 N ATOM 1482 CA ASN A 96 -6.550 4.024 7.437 1.00 0.34 C ATOM 1483 C ASN A 96 -7.374 3.006 6.650 1.00 0.34 C ATOM 1484 O ASN A 96 -8.606 3.057 6.644 1.00 0.38 O ATOM 1485 CB ASN A 96 -6.532 3.640 8.918 1.00 0.38 C ATOM 1486 CG ASN A 96 -7.925 3.457 9.485 1.00 1.12 C ATOM 1487 OD1 ASN A 96 -8.388 2.332 9.670 1.00 2.04 O ATOM 1488 ND2 ASN A 96 -8.602 4.565 9.762 1.00 1.12 N ATOM 0 H ASN A 96 -8.050 5.491 7.538 1.00 0.34 H new ATOM 0 HA ASN A 96 -5.533 4.012 7.046 1.00 0.34 H new ATOM 0 HB2 ASN A 96 -5.967 2.716 9.044 1.00 0.38 H new ATOM 0 HB3 ASN A 96 -6.011 4.412 9.484 1.00 0.38 H new ATOM 0 HD21 ASN A 96 -9.546 4.504 10.144 1.00 1.12 H new ATOM 0 HD22 ASN A 96 -8.178 5.477 9.593 1.00 1.12 H new ATOM 1495 N HIS A 97 -6.684 2.077 5.989 1.00 0.32 N ATOM 1496 CA HIS A 97 -7.343 1.037 5.201 1.00 0.34 C ATOM 1497 C HIS A 97 -6.715 -0.332 5.464 1.00 0.33 C ATOM 1498 O HIS A 97 -5.495 -0.467 5.477 1.00 0.33 O ATOM 1499 CB HIS A 97 -7.256 1.367 3.711 1.00 0.36 C ATOM 1500 CG HIS A 97 -7.898 2.670 3.344 1.00 0.43 C ATOM 1501 ND1 HIS A 97 -9.072 3.117 3.913 1.00 1.25 N ATOM 1502 CD2 HIS A 97 -7.524 3.623 2.459 1.00 1.06 C ATOM 1503 CE1 HIS A 97 -9.391 4.288 3.392 1.00 1.06 C ATOM 1504 NE2 HIS A 97 -8.468 4.617 2.507 1.00 0.85 N ATOM 0 H HIS A 97 -5.665 2.024 5.984 1.00 0.32 H new ATOM 0 HA HIS A 97 -8.390 1.001 5.502 1.00 0.34 H new ATOM 0 HB2 HIS A 97 -6.207 1.392 3.414 1.00 0.36 H new ATOM 0 HB3 HIS A 97 -7.729 0.566 3.142 1.00 0.36 H new ATOM 0 HD1 HIS A 97 -9.609 2.621 4.624 1.00 1.25 H new ATOM 0 HD2 HIS A 97 -6.645 3.604 1.831 1.00 1.06 H new ATOM 0 HE1 HIS A 97 -10.260 4.877 3.647 1.00 1.06 H new ATOM 1513 N THR A 98 -7.550 -1.346 5.677 1.00 0.35 N ATOM 1514 CA THR A 98 -7.055 -2.697 5.938 1.00 0.35 C ATOM 1515 C THR A 98 -7.471 -3.668 4.834 1.00 0.35 C ATOM 1516 O THR A 98 -8.537 -3.521 4.236 1.00 0.36 O ATOM 1517 CB THR A 98 -7.569 -3.230 7.289 1.00 0.38 C ATOM 1518 OG1 THR A 98 -7.985 -2.139 8.119 1.00 1.33 O ATOM 1519 CG2 THR A 98 -6.487 -4.029 8.001 1.00 1.36 C ATOM 0 H THR A 98 -8.566 -1.260 5.674 1.00 0.35 H new ATOM 0 HA THR A 98 -5.967 -2.631 5.966 1.00 0.35 H new ATOM 0 HB THR A 98 -8.418 -3.886 7.097 1.00 0.38 H new ATOM 0 HG1 THR A 98 -8.312 -2.486 8.975 1.00 1.33 H new ATOM 0 HG21 THR A 98 -6.872 -4.396 8.953 1.00 1.36 H new ATOM 0 HG22 THR A 98 -6.191 -4.874 7.380 1.00 1.36 H new ATOM 0 HG23 THR A 98 -5.622 -3.390 8.181 1.00 1.36 H new ATOM 1527 N TYR A 99 -6.626 -4.664 4.568 1.00 0.39 N ATOM 1528 CA TYR A 99 -6.915 -5.658 3.537 1.00 0.42 C ATOM 1529 C TYR A 99 -6.608 -7.075 4.024 1.00 0.42 C ATOM 1530 O TYR A 99 -5.555 -7.333 4.614 1.00 0.45 O ATOM 1531 CB TYR A 99 -6.125 -5.360 2.262 1.00 0.53 C ATOM 1532 CG TYR A 99 -6.001 -3.885 1.957 1.00 0.57 C ATOM 1533 CD1 TYR A 99 -5.174 -3.068 2.713 1.00 0.85 C ATOM 1534 CD2 TYR A 99 -6.706 -3.310 0.908 1.00 0.73 C ATOM 1535 CE1 TYR A 99 -5.055 -1.721 2.437 1.00 0.96 C ATOM 1536 CE2 TYR A 99 -6.591 -1.963 0.624 1.00 0.81 C ATOM 1537 CZ TYR A 99 -5.765 -1.174 1.391 1.00 0.81 C ATOM 1538 OH TYR A 99 -5.648 0.169 1.110 1.00 0.96 O ATOM 0 H TYR A 99 -5.739 -4.803 5.051 1.00 0.39 H new ATOM 0 HA TYR A 99 -7.981 -5.598 3.315 1.00 0.42 H new ATOM 0 HB2 TYR A 99 -5.127 -5.788 2.355 1.00 0.53 H new ATOM 0 HB3 TYR A 99 -6.608 -5.857 1.421 1.00 0.53 H new ATOM 0 HD1 TYR A 99 -4.613 -3.493 3.532 1.00 0.85 H new ATOM 0 HD2 TYR A 99 -7.355 -3.926 0.304 1.00 0.73 H new ATOM 0 HE1 TYR A 99 -4.408 -1.099 3.038 1.00 0.96 H new ATOM 0 HE2 TYR A 99 -7.146 -1.532 -0.196 1.00 0.81 H new ATOM 0 HH TYR A 99 -6.419 0.461 0.579 1.00 0.96 H new ATOM 1548 N HIS A 100 -7.555 -7.978 3.784 1.00 0.41 N ATOM 1549 CA HIS A 100 -7.423 -9.372 4.207 1.00 0.44 C ATOM 1550 C HIS A 100 -6.656 -10.222 3.192 1.00 0.42 C ATOM 1551 O HIS A 100 -7.173 -10.570 2.122 1.00 0.45 O ATOM 1552 CB HIS A 100 -8.798 -9.986 4.464 1.00 0.53 C ATOM 1553 CG HIS A 100 -9.767 -9.039 5.099 1.00 0.82 C ATOM 1554 ND1 HIS A 100 -9.662 -8.620 6.409 1.00 1.39 N ATOM 1555 CD2 HIS A 100 -10.867 -8.428 4.600 1.00 1.62 C ATOM 1556 CE1 HIS A 100 -10.655 -7.795 6.688 1.00 1.53 C ATOM 1557 NE2 HIS A 100 -11.401 -7.662 5.607 1.00 1.70 N ATOM 0 H HIS A 100 -8.426 -7.769 3.297 1.00 0.41 H new ATOM 0 HA HIS A 100 -6.846 -9.367 5.132 1.00 0.44 H new ATOM 0 HB2 HIS A 100 -9.212 -10.337 3.519 1.00 0.53 H new ATOM 0 HB3 HIS A 100 -8.683 -10.859 5.106 1.00 0.53 H new ATOM 0 HD2 HIS A 100 -11.253 -8.525 3.596 1.00 1.62 H new ATOM 0 HE1 HIS A 100 -10.827 -7.312 7.638 1.00 1.53 H new ATOM 0 HE2 HIS A 100 -12.238 -7.084 5.532 1.00 1.70 H new ATOM 1566 N LEU A 101 -5.425 -10.575 3.557 1.00 0.44 N ATOM 1567 CA LEU A 101 -4.570 -11.403 2.715 1.00 0.45 C ATOM 1568 C LEU A 101 -4.250 -12.723 3.418 1.00 0.48 C ATOM 1569 O LEU A 101 -4.092 -12.761 4.636 1.00 0.53 O ATOM 1570 CB LEU A 101 -3.274 -10.662 2.380 1.00 0.51 C ATOM 1571 CG LEU A 101 -3.255 -9.972 1.013 1.00 1.07 C ATOM 1572 CD1 LEU A 101 -3.024 -10.988 -0.094 1.00 1.90 C ATOM 1573 CD2 LEU A 101 -4.553 -9.213 0.782 1.00 1.63 C ATOM 0 H LEU A 101 -4.996 -10.296 4.439 1.00 0.44 H new ATOM 0 HA LEU A 101 -5.102 -11.617 1.788 1.00 0.45 H new ATOM 0 HB2 LEU A 101 -3.093 -9.913 3.150 1.00 0.51 H new ATOM 0 HB3 LEU A 101 -2.447 -11.371 2.424 1.00 0.51 H new ATOM 0 HG LEU A 101 -2.432 -9.257 0.998 1.00 1.07 H new ATOM 0 HD11 LEU A 101 -3.014 -10.480 -1.058 1.00 1.90 H new ATOM 0 HD12 LEU A 101 -2.068 -11.487 0.064 1.00 1.90 H new ATOM 0 HD13 LEU A 101 -3.825 -11.727 -0.082 1.00 1.90 H new ATOM 0 HD21 LEU A 101 -4.523 -8.729 -0.194 1.00 1.63 H new ATOM 0 HD22 LEU A 101 -5.392 -9.908 0.816 1.00 1.63 H new ATOM 0 HD23 LEU A 101 -4.676 -8.458 1.558 1.00 1.63 H new ATOM 1585 N ASP A 102 -4.161 -13.802 2.648 1.00 0.50 N ATOM 1586 CA ASP A 102 -3.863 -15.116 3.215 1.00 0.57 C ATOM 1587 C ASP A 102 -2.757 -15.813 2.428 1.00 0.54 C ATOM 1588 O ASP A 102 -2.655 -15.662 1.211 1.00 0.53 O ATOM 1589 CB ASP A 102 -5.120 -15.987 3.240 1.00 0.65 C ATOM 1590 CG ASP A 102 -5.199 -16.855 4.482 1.00 1.31 C ATOM 1591 OD1 ASP A 102 -5.512 -16.314 5.565 1.00 1.38 O ATOM 1592 OD2 ASP A 102 -4.949 -18.073 4.373 1.00 2.34 O ATOM 0 H ASP A 102 -4.290 -13.796 1.636 1.00 0.50 H new ATOM 0 HA ASP A 102 -3.516 -14.969 4.238 1.00 0.57 H new ATOM 0 HB2 ASP A 102 -6.002 -15.348 3.190 1.00 0.65 H new ATOM 0 HB3 ASP A 102 -5.136 -16.622 2.355 1.00 0.65 H new ATOM 1597 N VAL A 103 -1.927 -16.575 3.136 1.00 0.63 N ATOM 1598 CA VAL A 103 -0.820 -17.290 2.511 1.00 0.68 C ATOM 1599 C VAL A 103 -1.299 -18.544 1.789 1.00 0.66 C ATOM 1600 O VAL A 103 -2.097 -19.315 2.321 1.00 0.75 O ATOM 1601 CB VAL A 103 0.244 -17.690 3.551 1.00 0.89 C ATOM 1602 CG1 VAL A 103 1.550 -18.060 2.866 1.00 1.56 C ATOM 1603 CG2 VAL A 103 0.460 -16.568 4.555 1.00 1.60 C ATOM 0 H VAL A 103 -2.001 -16.713 4.144 1.00 0.63 H new ATOM 0 HA VAL A 103 -0.379 -16.607 1.785 1.00 0.68 H new ATOM 0 HB VAL A 103 -0.116 -18.565 4.091 1.00 0.89 H new ATOM 0 HG11 VAL A 103 2.289 -18.339 3.617 1.00 1.56 H new ATOM 0 HG12 VAL A 103 1.382 -18.900 2.192 1.00 1.56 H new ATOM 0 HG13 VAL A 103 1.917 -17.206 2.297 1.00 1.56 H new ATOM 0 HG21 VAL A 103 1.215 -16.870 5.281 1.00 1.60 H new ATOM 0 HG22 VAL A 103 0.796 -15.672 4.033 1.00 1.60 H new ATOM 0 HG23 VAL A 103 -0.476 -16.357 5.072 1.00 1.60 H new ATOM 1613 N VAL A 104 -0.798 -18.742 0.573 1.00 0.66 N ATOM 1614 CA VAL A 104 -1.167 -19.904 -0.228 1.00 0.73 C ATOM 1615 C VAL A 104 0.066 -20.578 -0.817 1.00 0.83 C ATOM 1616 O VAL A 104 1.006 -19.908 -1.253 1.00 0.84 O ATOM 1617 CB VAL A 104 -2.124 -19.516 -1.370 1.00 0.86 C ATOM 1618 CG1 VAL A 104 -2.689 -20.760 -2.038 1.00 1.44 C ATOM 1619 CG2 VAL A 104 -3.241 -18.624 -0.851 1.00 1.27 C ATOM 0 H VAL A 104 -0.135 -18.112 0.121 1.00 0.66 H new ATOM 0 HA VAL A 104 -1.674 -20.602 0.439 1.00 0.73 H new ATOM 0 HB VAL A 104 -1.562 -18.955 -2.117 1.00 0.86 H new ATOM 0 HG11 VAL A 104 -3.363 -20.467 -2.843 1.00 1.44 H new ATOM 0 HG12 VAL A 104 -1.873 -21.356 -2.447 1.00 1.44 H new ATOM 0 HG13 VAL A 104 -3.236 -21.351 -1.303 1.00 1.44 H new ATOM 0 HG21 VAL A 104 -3.907 -18.360 -1.672 1.00 1.27 H new ATOM 0 HG22 VAL A 104 -3.804 -19.155 -0.083 1.00 1.27 H new ATOM 0 HG23 VAL A 104 -2.814 -17.716 -0.425 1.00 1.27 H new