USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 794 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 56 THR OG1 : rot -101:sc= 0.674 USER MOD Set 1.2: A 59 GLN :FLIP amide:sc= -2.14! F(o=-2.1,f=-1.5!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 180:sc= -0.276 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc=-0.00691 X(o=-0.0069,f=-0.46) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -2.94 K(o=-2.9,f=-4.4!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -7:sc= 1.16 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 140:sc= -0.376 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 80:sc= 1.2 USER MOD Single : A 88 LYS NZ :NH3+ -124:sc= -2.82! (180deg=-6.49!) USER MOD Single : A 97 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0.103 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.173 USER MOD Single : A 108 ASN : amide:sc= -0.176 K(o=-0.18,f=-1.5!) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 39:sc= -1.03 USER MOD Single : A 111 SER OG : rot 22:sc= 0.457 USER MOD Single : A 112 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 77 N ASP A 8 -5.707 9.067 2.931 1.00 24.33 N ATOM 78 CA ASP A 8 -5.733 7.623 2.732 1.00 33.21 C ATOM 79 C ASP A 8 -4.557 6.956 3.438 1.00 15.12 C ATOM 80 O ASP A 8 -4.625 5.783 3.805 1.00 41.41 O ATOM 81 CB ASP A 8 -5.702 7.291 1.239 1.00 2.53 C ATOM 82 CG ASP A 8 -6.943 7.774 0.513 1.00 43.21 C ATOM 83 OD1 ASP A 8 -7.717 8.551 1.112 1.00 75.50 O ATOM 84 OD2 ASP A 8 -7.140 7.376 -0.654 1.00 54.34 O ATOM 0 HA ASP A 8 -6.658 7.239 3.162 1.00 33.21 H new ATOM 0 HB2 ASP A 8 -4.820 7.745 0.787 1.00 2.53 H new ATOM 0 HB3 ASP A 8 -5.606 6.213 1.111 1.00 2.53 H new ATOM 89 N TRP A 9 -3.480 7.711 3.623 1.00 43.34 N ATOM 90 CA TRP A 9 -2.288 7.193 4.284 1.00 53.25 C ATOM 91 C TRP A 9 -2.544 6.968 5.771 1.00 2.40 C ATOM 92 O TRP A 9 -2.464 5.842 6.262 1.00 61.00 O ATOM 93 CB TRP A 9 -1.115 8.156 4.096 1.00 1.22 C ATOM 94 CG TRP A 9 0.096 7.783 4.896 1.00 32.20 C ATOM 95 CD1 TRP A 9 0.635 8.477 5.941 1.00 2.10 C ATOM 96 CD2 TRP A 9 0.918 6.625 4.713 1.00 40.34 C ATOM 97 NE1 TRP A 9 1.744 7.821 6.419 1.00 4.02 N ATOM 98 CE2 TRP A 9 1.939 6.682 5.684 1.00 65.33 C ATOM 99 CE3 TRP A 9 0.892 5.544 3.827 1.00 45.44 C ATOM 100 CZ2 TRP A 9 2.921 5.700 5.790 1.00 0.25 C ATOM 101 CZ3 TRP A 9 1.868 4.573 3.933 1.00 32.20 C ATOM 102 CH2 TRP A 9 2.871 4.655 4.908 1.00 71.35 C ATOM 0 H TRP A 9 -3.408 8.684 3.325 1.00 43.34 H new ATOM 0 HA TRP A 9 -2.038 6.235 3.828 1.00 53.25 H new ATOM 0 HB2 TRP A 9 -0.847 8.189 3.040 1.00 1.22 H new ATOM 0 HB3 TRP A 9 -1.431 9.161 4.376 1.00 1.22 H new ATOM 0 HD1 TRP A 9 0.247 9.405 6.334 1.00 2.10 H new ATOM 0 HE1 TRP A 9 2.328 8.132 7.196 1.00 4.02 H new ATOM 0 HE3 TRP A 9 0.122 5.470 3.073 1.00 45.44 H new ATOM 0 HZ2 TRP A 9 3.694 5.761 6.541 1.00 0.25 H new ATOM 0 HZ3 TRP A 9 1.858 3.735 3.252 1.00 32.20 H new ATOM 0 HH2 TRP A 9 3.619 3.878 4.964 1.00 71.35 H new ATOM 113 N LYS A 10 -2.852 8.047 6.484 1.00 11.12 N ATOM 114 CA LYS A 10 -3.121 7.968 7.914 1.00 45.25 C ATOM 115 C LYS A 10 -4.378 7.149 8.187 1.00 21.13 C ATOM 116 O LYS A 10 -4.473 6.458 9.201 1.00 44.30 O ATOM 117 CB LYS A 10 -3.276 9.372 8.503 1.00 62.13 C ATOM 118 CG LYS A 10 -2.767 9.494 9.929 1.00 61.54 C ATOM 119 CD LYS A 10 -2.384 10.925 10.265 1.00 23.45 C ATOM 120 CE LYS A 10 -1.546 10.995 11.532 1.00 55.05 C ATOM 121 NZ LYS A 10 -0.112 11.268 11.234 1.00 21.31 N ATOM 0 H LYS A 10 -2.921 8.987 6.094 1.00 11.12 H new ATOM 0 HA LYS A 10 -2.275 7.472 8.390 1.00 45.25 H new ATOM 0 HB2 LYS A 10 -2.740 10.082 7.873 1.00 62.13 H new ATOM 0 HB3 LYS A 10 -4.329 9.654 8.477 1.00 62.13 H new ATOM 0 HG2 LYS A 10 -3.536 9.150 10.621 1.00 61.54 H new ATOM 0 HG3 LYS A 10 -1.903 8.844 10.064 1.00 61.54 H new ATOM 0 HD2 LYS A 10 -1.827 11.358 9.434 1.00 23.45 H new ATOM 0 HD3 LYS A 10 -3.286 11.524 10.390 1.00 23.45 H new ATOM 0 HE2 LYS A 10 -1.937 11.777 12.183 1.00 55.05 H new ATOM 0 HE3 LYS A 10 -1.631 10.054 12.076 1.00 55.05 H new ATOM 0 HZ1 LYS A 10 0.426 11.308 12.123 1.00 21.31 H new ATOM 0 HZ2 LYS A 10 0.268 10.509 10.633 1.00 21.31 H new ATOM 0 HZ3 LYS A 10 -0.028 12.178 10.737 1.00 21.31 H new ATOM 135 N MET A 11 -5.341 7.229 7.274 1.00 4.32 N ATOM 136 CA MET A 11 -6.592 6.493 7.416 1.00 54.21 C ATOM 137 C MET A 11 -6.365 4.996 7.235 1.00 53.54 C ATOM 138 O MET A 11 -7.039 4.177 7.858 1.00 32.40 O ATOM 139 CB MET A 11 -7.620 6.991 6.398 1.00 62.30 C ATOM 140 CG MET A 11 -9.028 6.476 6.655 1.00 15.43 C ATOM 141 SD MET A 11 -10.297 7.675 6.208 1.00 3.40 S ATOM 142 CE MET A 11 -10.929 8.117 7.824 1.00 44.53 C ATOM 0 H MET A 11 -5.279 7.796 6.428 1.00 4.32 H new ATOM 0 HA MET A 11 -6.974 6.666 8.422 1.00 54.21 H new ATOM 0 HB2 MET A 11 -7.633 8.081 6.410 1.00 62.30 H new ATOM 0 HB3 MET A 11 -7.307 6.687 5.399 1.00 62.30 H new ATOM 0 HG2 MET A 11 -9.184 5.558 6.088 1.00 15.43 H new ATOM 0 HG3 MET A 11 -9.130 6.220 7.710 1.00 15.43 H new ATOM 0 HE1 MET A 11 -11.724 8.854 7.714 1.00 44.53 H new ATOM 0 HE2 MET A 11 -11.323 7.228 8.316 1.00 44.53 H new ATOM 0 HE3 MET A 11 -10.124 8.538 8.427 1.00 44.53 H new ATOM 152 N ALA A 12 -5.410 4.646 6.378 1.00 22.41 N ATOM 153 CA ALA A 12 -5.094 3.247 6.117 1.00 42.33 C ATOM 154 C ALA A 12 -4.422 2.602 7.324 1.00 43.35 C ATOM 155 O ALA A 12 -4.813 1.518 7.759 1.00 11.53 O ATOM 156 CB ALA A 12 -4.204 3.128 4.889 1.00 60.12 C ATOM 0 H ALA A 12 -4.843 5.312 5.853 1.00 22.41 H new ATOM 0 HA ALA A 12 -6.028 2.718 5.928 1.00 42.33 H new ATOM 0 HB1 ALA A 12 -3.976 2.078 4.705 1.00 60.12 H new ATOM 0 HB2 ALA A 12 -4.720 3.544 4.024 1.00 60.12 H new ATOM 0 HB3 ALA A 12 -3.277 3.677 5.057 1.00 60.12 H new ATOM 162 N ILE A 13 -3.409 3.274 7.862 1.00 64.11 N ATOM 163 CA ILE A 13 -2.684 2.766 9.019 1.00 50.40 C ATOM 164 C ILE A 13 -3.595 2.665 10.238 1.00 21.21 C ATOM 165 O ILE A 13 -3.617 1.646 10.928 1.00 52.15 O ATOM 166 CB ILE A 13 -1.479 3.660 9.366 1.00 72.22 C ATOM 167 CG1 ILE A 13 -0.525 3.752 8.173 1.00 3.25 C ATOM 168 CG2 ILE A 13 -0.754 3.121 10.590 1.00 3.11 C ATOM 169 CD1 ILE A 13 0.111 2.430 7.805 1.00 11.35 C ATOM 0 H ILE A 13 -3.072 4.172 7.514 1.00 64.11 H new ATOM 0 HA ILE A 13 -2.324 1.772 8.754 1.00 50.40 H new ATOM 0 HB ILE A 13 -1.843 4.662 9.595 1.00 72.22 H new ATOM 0 HG12 ILE A 13 -1.070 4.136 7.311 1.00 3.25 H new ATOM 0 HG13 ILE A 13 0.260 4.473 8.401 1.00 3.25 H new ATOM 0 HG21 ILE A 13 0.095 3.764 10.822 1.00 3.11 H new ATOM 0 HG22 ILE A 13 -1.438 3.102 11.439 1.00 3.11 H new ATOM 0 HG23 ILE A 13 -0.399 2.111 10.387 1.00 3.11 H new ATOM 0 HD11 ILE A 13 0.774 2.570 6.952 1.00 11.35 H new ATOM 0 HD12 ILE A 13 0.684 2.054 8.652 1.00 11.35 H new ATOM 0 HD13 ILE A 13 -0.667 1.712 7.545 1.00 11.35 H new ATOM 181 N LYS A 14 -4.347 3.729 10.497 1.00 3.11 N ATOM 182 CA LYS A 14 -5.264 3.761 11.631 1.00 10.02 C ATOM 183 C LYS A 14 -6.330 2.677 11.500 1.00 1.12 C ATOM 184 O LYS A 14 -6.540 1.886 12.419 1.00 21.52 O ATOM 185 CB LYS A 14 -5.929 5.135 11.736 1.00 45.23 C ATOM 186 CG LYS A 14 -5.170 6.112 12.618 1.00 71.34 C ATOM 187 CD LYS A 14 -5.821 6.252 13.985 1.00 20.31 C ATOM 188 CE LYS A 14 -5.083 7.259 14.853 1.00 70.42 C ATOM 189 NZ LYS A 14 -3.820 6.695 15.404 1.00 42.20 N ATOM 0 H LYS A 14 -4.340 4.581 9.937 1.00 3.11 H new ATOM 0 HA LYS A 14 -4.689 3.572 12.537 1.00 10.02 H new ATOM 0 HB2 LYS A 14 -6.026 5.560 10.737 1.00 45.23 H new ATOM 0 HB3 LYS A 14 -6.938 5.012 12.129 1.00 45.23 H new ATOM 0 HG2 LYS A 14 -4.141 5.772 12.737 1.00 71.34 H new ATOM 0 HG3 LYS A 14 -5.130 7.087 12.132 1.00 71.34 H new ATOM 0 HD2 LYS A 14 -6.858 6.565 13.865 1.00 20.31 H new ATOM 0 HD3 LYS A 14 -5.836 5.283 14.483 1.00 20.31 H new ATOM 0 HE2 LYS A 14 -4.857 8.149 14.265 1.00 70.42 H new ATOM 0 HE3 LYS A 14 -5.728 7.574 15.673 1.00 70.42 H new ATOM 0 HZ1 LYS A 14 -3.346 7.412 15.990 1.00 42.20 H new ATOM 0 HZ2 LYS A 14 -4.037 5.861 15.986 1.00 42.20 H new ATOM 0 HZ3 LYS A 14 -3.193 6.418 14.622 1.00 42.20 H new ATOM 203 N ARG A 15 -6.998 2.647 10.351 1.00 54.15 N ATOM 204 CA ARG A 15 -8.042 1.660 10.100 1.00 53.24 C ATOM 205 C ARG A 15 -7.477 0.244 10.161 1.00 52.43 C ATOM 206 O ARG A 15 -7.996 -0.612 10.879 1.00 2.03 O ATOM 207 CB ARG A 15 -8.686 1.905 8.735 1.00 32.52 C ATOM 208 CG ARG A 15 -9.603 3.117 8.702 1.00 71.21 C ATOM 209 CD ARG A 15 -11.066 2.707 8.629 1.00 52.31 C ATOM 210 NE ARG A 15 -11.531 2.114 9.879 1.00 61.03 N ATOM 211 CZ ARG A 15 -11.832 2.822 10.962 1.00 43.45 C ATOM 212 NH1 ARG A 15 -11.716 4.143 10.947 1.00 1.21 N ATOM 213 NH2 ARG A 15 -12.249 2.210 12.064 1.00 35.25 N ATOM 0 H ARG A 15 -6.835 3.294 9.580 1.00 54.15 H new ATOM 0 HA ARG A 15 -8.800 1.764 10.876 1.00 53.24 H new ATOM 0 HB2 ARG A 15 -7.901 2.034 7.990 1.00 32.52 H new ATOM 0 HB3 ARG A 15 -9.256 1.021 8.448 1.00 32.52 H new ATOM 0 HG2 ARG A 15 -9.438 3.724 9.592 1.00 71.21 H new ATOM 0 HG3 ARG A 15 -9.355 3.739 7.842 1.00 71.21 H new ATOM 0 HD2 ARG A 15 -11.676 3.579 8.393 1.00 52.31 H new ATOM 0 HD3 ARG A 15 -11.202 1.993 7.816 1.00 52.31 H new ATOM 0 HE ARG A 15 -11.630 1.100 9.923 1.00 61.03 H new ATOM 0 HH11 ARG A 15 -11.395 4.617 10.103 1.00 1.21 H new ATOM 0 HH12 ARG A 15 -11.948 4.685 11.780 1.00 1.21 H new ATOM 0 HH21 ARG A 15 -12.339 1.194 12.080 1.00 35.25 H new ATOM 0 HH22 ARG A 15 -12.480 2.756 12.894 1.00 35.25 H new ATOM 227 N CYS A 16 -6.412 0.005 9.405 1.00 34.01 N ATOM 228 CA CYS A 16 -5.776 -1.309 9.371 1.00 65.44 C ATOM 229 C CYS A 16 -5.442 -1.786 10.782 1.00 34.35 C ATOM 230 O CYS A 16 -5.473 -2.983 11.066 1.00 13.34 O ATOM 231 CB CYS A 16 -4.507 -1.263 8.521 1.00 23.14 C ATOM 232 SG CYS A 16 -3.811 -2.890 8.145 1.00 4.12 S ATOM 0 H CYS A 16 -5.970 0.703 8.807 1.00 34.01 H new ATOM 0 HA CYS A 16 -6.477 -2.014 8.924 1.00 65.44 H new ATOM 0 HB2 CYS A 16 -4.728 -0.749 7.585 1.00 23.14 H new ATOM 0 HB3 CYS A 16 -3.755 -0.669 9.041 1.00 23.14 H new ATOM 0 HG CYS A 16 -2.741 -2.747 7.421 1.00 4.12 H new ATOM 238 N SER A 17 -5.121 -0.842 11.660 1.00 23.44 N ATOM 239 CA SER A 17 -4.775 -1.166 13.039 1.00 1.22 C ATOM 240 C SER A 17 -5.894 -1.959 13.708 1.00 50.32 C ATOM 241 O SER A 17 -5.656 -2.720 14.644 1.00 43.44 O ATOM 242 CB SER A 17 -4.496 0.113 13.831 1.00 62.10 C ATOM 243 OG SER A 17 -3.591 -0.133 14.894 1.00 32.22 O ATOM 0 H SER A 17 -5.093 0.154 11.441 1.00 23.44 H new ATOM 0 HA SER A 17 -3.875 -1.781 13.027 1.00 1.22 H new ATOM 0 HB2 SER A 17 -4.084 0.873 13.167 1.00 62.10 H new ATOM 0 HB3 SER A 17 -5.430 0.509 14.229 1.00 62.10 H new ATOM 0 HG SER A 17 -3.428 0.700 15.384 1.00 32.22 H new ATOM 249 N ASN A 18 -7.116 -1.773 13.219 1.00 45.12 N ATOM 250 CA ASN A 18 -8.273 -2.469 13.769 1.00 72.01 C ATOM 251 C ASN A 18 -8.628 -3.688 12.923 1.00 13.15 C ATOM 252 O ASN A 18 -9.777 -4.129 12.900 1.00 43.04 O ATOM 253 CB ASN A 18 -9.473 -1.524 13.850 1.00 33.24 C ATOM 254 CG ASN A 18 -9.194 -0.309 14.713 1.00 64.24 C ATOM 255 OD1 ASN A 18 -8.943 0.784 14.205 1.00 24.01 O ATOM 256 ND2 ASN A 18 -9.238 -0.496 16.028 1.00 2.54 N ATOM 0 H ASN A 18 -7.330 -1.146 12.443 1.00 45.12 H new ATOM 0 HA ASN A 18 -8.017 -2.807 14.773 1.00 72.01 H new ATOM 0 HB2 ASN A 18 -9.744 -1.199 12.846 1.00 33.24 H new ATOM 0 HB3 ASN A 18 -10.330 -2.063 14.253 1.00 33.24 H new ATOM 0 HD21 ASN A 18 -9.060 0.284 16.660 1.00 2.54 H new ATOM 0 HD22 ASN A 18 -9.450 -1.420 16.405 1.00 2.54 H new ATOM 263 N VAL A 19 -7.632 -4.229 12.226 1.00 43.42 N ATOM 264 CA VAL A 19 -7.837 -5.397 11.380 1.00 35.24 C ATOM 265 C VAL A 19 -7.080 -6.606 11.917 1.00 54.11 C ATOM 266 O VAL A 19 -5.897 -6.514 12.246 1.00 10.14 O ATOM 267 CB VAL A 19 -7.389 -5.126 9.931 1.00 35.21 C ATOM 268 CG1 VAL A 19 -7.581 -6.367 9.072 1.00 41.44 C ATOM 269 CG2 VAL A 19 -8.149 -3.944 9.351 1.00 41.00 C ATOM 0 H VAL A 19 -6.675 -3.876 12.232 1.00 43.42 H new ATOM 0 HA VAL A 19 -8.906 -5.609 11.389 1.00 35.24 H new ATOM 0 HB VAL A 19 -6.328 -4.878 9.938 1.00 35.21 H new ATOM 0 HG11 VAL A 19 -7.259 -6.157 8.052 1.00 41.44 H new ATOM 0 HG12 VAL A 19 -6.987 -7.186 9.478 1.00 41.44 H new ATOM 0 HG13 VAL A 19 -8.634 -6.648 9.070 1.00 41.44 H new ATOM 0 HG21 VAL A 19 -7.820 -3.767 8.327 1.00 41.00 H new ATOM 0 HG22 VAL A 19 -9.217 -4.160 9.356 1.00 41.00 H new ATOM 0 HG23 VAL A 19 -7.955 -3.056 9.953 1.00 41.00 H new ATOM 279 N ALA A 20 -7.768 -7.739 12.004 1.00 13.54 N ATOM 280 CA ALA A 20 -7.159 -8.968 12.499 1.00 4.32 C ATOM 281 C ALA A 20 -6.356 -9.663 11.405 1.00 5.44 C ATOM 282 O ALA A 20 -6.922 -10.260 10.490 1.00 24.23 O ATOM 283 CB ALA A 20 -8.226 -9.903 13.047 1.00 23.04 C ATOM 0 H ALA A 20 -8.748 -7.832 11.738 1.00 13.54 H new ATOM 0 HA ALA A 20 -6.474 -8.705 13.305 1.00 4.32 H new ATOM 0 HB1 ALA A 20 -7.757 -10.816 13.413 1.00 23.04 H new ATOM 0 HB2 ALA A 20 -8.754 -9.413 13.865 1.00 23.04 H new ATOM 0 HB3 ALA A 20 -8.934 -10.151 12.256 1.00 23.04 H new ATOM 289 N VAL A 21 -5.033 -9.579 11.504 1.00 10.23 N ATOM 290 CA VAL A 21 -4.151 -10.199 10.522 1.00 62.32 C ATOM 291 C VAL A 21 -4.415 -11.697 10.416 1.00 64.24 C ATOM 292 O VAL A 21 -4.242 -12.297 9.356 1.00 4.32 O ATOM 293 CB VAL A 21 -2.670 -9.974 10.876 1.00 52.43 C ATOM 294 CG1 VAL A 21 -1.773 -10.439 9.739 1.00 74.13 C ATOM 295 CG2 VAL A 21 -2.417 -8.509 11.200 1.00 23.12 C ATOM 0 H VAL A 21 -4.548 -9.087 12.255 1.00 10.23 H new ATOM 0 HA VAL A 21 -4.363 -9.726 9.563 1.00 62.32 H new ATOM 0 HB VAL A 21 -2.432 -10.565 11.760 1.00 52.43 H new ATOM 0 HG11 VAL A 21 -0.730 -10.272 10.007 1.00 74.13 H new ATOM 0 HG12 VAL A 21 -1.936 -11.502 9.558 1.00 74.13 H new ATOM 0 HG13 VAL A 21 -2.010 -9.877 8.836 1.00 74.13 H new ATOM 0 HG21 VAL A 21 -1.365 -8.368 11.448 1.00 23.12 H new ATOM 0 HG22 VAL A 21 -2.672 -7.896 10.335 1.00 23.12 H new ATOM 0 HG23 VAL A 21 -3.033 -8.212 12.049 1.00 23.12 H new ATOM 375 N LYS A 28 -4.724 -10.831 16.543 1.00 42.41 N ATOM 376 CA LYS A 28 -3.571 -9.967 16.312 1.00 64.12 C ATOM 377 C LYS A 28 -3.926 -8.829 15.361 1.00 40.20 C ATOM 378 O LYS A 28 -4.147 -9.047 14.170 1.00 74.14 O ATOM 379 CB LYS A 28 -2.406 -10.779 15.742 1.00 5.31 C ATOM 380 CG LYS A 28 -1.631 -11.553 16.795 1.00 14.15 C ATOM 381 CD LYS A 28 -0.131 -11.445 16.573 1.00 64.30 C ATOM 382 CE LYS A 28 0.604 -12.643 17.152 1.00 75.34 C ATOM 383 NZ LYS A 28 1.189 -13.504 16.087 1.00 31.14 N ATOM 0 HA LYS A 28 -3.272 -9.537 17.268 1.00 64.12 H new ATOM 0 HB2 LYS A 28 -2.790 -11.478 14.999 1.00 5.31 H new ATOM 0 HB3 LYS A 28 -1.724 -10.105 15.223 1.00 5.31 H new ATOM 0 HG2 LYS A 28 -1.882 -11.173 17.785 1.00 14.15 H new ATOM 0 HG3 LYS A 28 -1.929 -12.601 16.771 1.00 14.15 H new ATOM 0 HD2 LYS A 28 0.076 -11.371 15.505 1.00 64.30 H new ATOM 0 HD3 LYS A 28 0.241 -10.530 17.034 1.00 64.30 H new ATOM 0 HE2 LYS A 28 1.397 -12.297 17.815 1.00 75.34 H new ATOM 0 HE3 LYS A 28 -0.084 -13.232 17.758 1.00 75.34 H new ATOM 0 HZ1 LYS A 28 1.681 -14.310 16.523 1.00 31.14 H new ATOM 0 HZ2 LYS A 28 0.430 -13.856 15.469 1.00 31.14 H new ATOM 0 HZ3 LYS A 28 1.865 -12.949 15.524 1.00 31.14 H new ATOM 397 N LYS A 29 -3.978 -7.613 15.895 1.00 13.21 N ATOM 398 CA LYS A 29 -4.302 -6.439 15.093 1.00 21.44 C ATOM 399 C LYS A 29 -3.074 -5.936 14.342 1.00 14.14 C ATOM 400 O LYS A 29 -1.943 -6.101 14.799 1.00 61.33 O ATOM 401 CB LYS A 29 -4.859 -5.326 15.984 1.00 2.23 C ATOM 402 CG LYS A 29 -6.373 -5.212 15.941 1.00 12.23 C ATOM 403 CD LYS A 29 -7.036 -6.247 16.834 1.00 32.51 C ATOM 404 CE LYS A 29 -8.510 -5.939 17.046 1.00 14.24 C ATOM 405 NZ LYS A 29 -9.057 -6.637 18.242 1.00 22.12 N ATOM 0 H LYS A 29 -3.800 -7.415 16.880 1.00 13.21 H new ATOM 0 HA LYS A 29 -5.059 -6.726 14.363 1.00 21.44 H new ATOM 0 HB2 LYS A 29 -4.546 -5.505 17.013 1.00 2.23 H new ATOM 0 HB3 LYS A 29 -4.423 -4.375 15.678 1.00 2.23 H new ATOM 0 HG2 LYS A 29 -6.673 -4.213 16.257 1.00 12.23 H new ATOM 0 HG3 LYS A 29 -6.719 -5.340 14.915 1.00 12.23 H new ATOM 0 HD2 LYS A 29 -6.931 -7.236 16.387 1.00 32.51 H new ATOM 0 HD3 LYS A 29 -6.527 -6.277 17.798 1.00 32.51 H new ATOM 0 HE2 LYS A 29 -8.643 -4.863 17.161 1.00 14.24 H new ATOM 0 HE3 LYS A 29 -9.074 -6.237 16.162 1.00 14.24 H new ATOM 0 HZ1 LYS A 29 -10.064 -6.401 18.351 1.00 22.12 H new ATOM 0 HZ2 LYS A 29 -8.953 -7.665 18.122 1.00 22.12 H new ATOM 0 HZ3 LYS A 29 -8.536 -6.334 19.089 1.00 22.12 H new ATOM 419 N PHE A 30 -3.302 -5.321 13.186 1.00 25.43 N ATOM 420 CA PHE A 30 -2.215 -4.794 12.371 1.00 42.50 C ATOM 421 C PHE A 30 -1.609 -3.549 13.013 1.00 62.41 C ATOM 422 O PHE A 30 -1.998 -3.151 14.110 1.00 54.14 O ATOM 423 CB PHE A 30 -2.716 -4.464 10.964 1.00 42.30 C ATOM 424 CG PHE A 30 -2.158 -5.368 9.902 1.00 4.34 C ATOM 425 CD1 PHE A 30 -3.001 -6.139 9.117 1.00 44.33 C ATOM 426 CD2 PHE A 30 -0.791 -5.445 9.688 1.00 70.40 C ATOM 427 CE1 PHE A 30 -2.490 -6.971 8.139 1.00 21.20 C ATOM 428 CE2 PHE A 30 -0.276 -6.275 8.710 1.00 33.41 C ATOM 429 CZ PHE A 30 -1.126 -7.040 7.936 1.00 1.25 C ATOM 0 H PHE A 30 -4.232 -5.176 12.793 1.00 25.43 H new ATOM 0 HA PHE A 30 -1.442 -5.559 12.302 1.00 42.50 H new ATOM 0 HB2 PHE A 30 -3.804 -4.528 10.950 1.00 42.30 H new ATOM 0 HB3 PHE A 30 -2.455 -3.433 10.726 1.00 42.30 H new ATOM 0 HD1 PHE A 30 -4.069 -6.089 9.271 1.00 44.33 H new ATOM 0 HD2 PHE A 30 -0.121 -4.850 10.292 1.00 70.40 H new ATOM 0 HE1 PHE A 30 -3.157 -7.567 7.534 1.00 21.20 H new ATOM 0 HE2 PHE A 30 0.791 -6.325 8.551 1.00 33.41 H new ATOM 0 HZ PHE A 30 -0.725 -7.691 7.173 1.00 1.25 H new ATOM 439 N GLY A 31 -0.653 -2.938 12.319 1.00 42.21 N ATOM 440 CA GLY A 31 -0.008 -1.745 12.836 1.00 31.11 C ATOM 441 C GLY A 31 0.972 -1.142 11.850 1.00 23.24 C ATOM 442 O GLY A 31 1.306 -1.761 10.841 1.00 33.25 O ATOM 0 H GLY A 31 -0.314 -3.248 11.408 1.00 42.21 H new ATOM 0 HA2 GLY A 31 -0.768 -1.005 13.087 1.00 31.11 H new ATOM 0 HA3 GLY A 31 0.516 -1.990 13.760 1.00 31.11 H new ATOM 446 N GLU A 32 1.432 0.070 12.141 1.00 4.20 N ATOM 447 CA GLU A 32 2.377 0.758 11.269 1.00 52.41 C ATOM 448 C GLU A 32 3.642 -0.073 11.075 1.00 60.42 C ATOM 449 O GLU A 32 4.165 -0.179 9.966 1.00 73.35 O ATOM 450 CB GLU A 32 2.737 2.127 11.849 1.00 51.51 C ATOM 451 CG GLU A 32 3.821 2.854 11.069 1.00 72.31 C ATOM 452 CD GLU A 32 3.368 3.253 9.678 1.00 54.44 C ATOM 453 OE1 GLU A 32 2.851 4.378 9.523 1.00 63.14 O ATOM 454 OE2 GLU A 32 3.533 2.440 8.743 1.00 44.15 O ATOM 0 H GLU A 32 1.166 0.596 12.973 1.00 4.20 H new ATOM 0 HA GLU A 32 1.901 0.897 10.298 1.00 52.41 H new ATOM 0 HB2 GLU A 32 1.842 2.748 11.875 1.00 51.51 H new ATOM 0 HB3 GLU A 32 3.067 2.000 12.880 1.00 51.51 H new ATOM 0 HG2 GLU A 32 4.124 3.745 11.619 1.00 72.31 H new ATOM 0 HG3 GLU A 32 4.700 2.214 10.992 1.00 72.31 H new ATOM 461 N GLY A 33 4.130 -0.662 12.164 1.00 3.34 N ATOM 462 CA GLY A 33 5.329 -1.474 12.094 1.00 15.11 C ATOM 463 C GLY A 33 5.155 -2.689 11.203 1.00 52.24 C ATOM 464 O GLY A 33 5.968 -2.936 10.313 1.00 24.04 O ATOM 0 H GLY A 33 3.715 -0.590 13.093 1.00 3.34 H new ATOM 0 HA2 GLY A 33 6.154 -0.868 11.719 1.00 15.11 H new ATOM 0 HA3 GLY A 33 5.603 -1.799 13.098 1.00 15.11 H new ATOM 468 N ASN A 34 4.093 -3.450 11.445 1.00 20.20 N ATOM 469 CA ASN A 34 3.816 -4.647 10.659 1.00 72.33 C ATOM 470 C ASN A 34 3.659 -4.303 9.181 1.00 73.30 C ATOM 471 O ASN A 34 4.285 -4.921 8.320 1.00 32.43 O ATOM 472 CB ASN A 34 2.550 -5.337 11.172 1.00 23.12 C ATOM 473 CG ASN A 34 2.657 -5.734 12.631 1.00 55.45 C ATOM 474 OD1 ASN A 34 2.434 -4.919 13.526 1.00 4.01 O ATOM 475 ND2 ASN A 34 3.003 -6.992 12.878 1.00 62.42 N ATOM 0 H ASN A 34 3.410 -3.259 12.179 1.00 20.20 H new ATOM 0 HA ASN A 34 4.661 -5.327 10.767 1.00 72.33 H new ATOM 0 HB2 ASN A 34 1.698 -4.670 11.042 1.00 23.12 H new ATOM 0 HB3 ASN A 34 2.355 -6.225 10.570 1.00 23.12 H new ATOM 0 HD21 ASN A 34 3.093 -7.316 13.841 1.00 62.42 H new ATOM 0 HD22 ASN A 34 3.179 -7.634 12.105 1.00 62.42 H new ATOM 482 N PHE A 35 2.819 -3.315 8.896 1.00 11.41 N ATOM 483 CA PHE A 35 2.579 -2.888 7.522 1.00 23.44 C ATOM 484 C PHE A 35 3.894 -2.595 6.805 1.00 24.01 C ATOM 485 O PHE A 35 4.068 -2.943 5.637 1.00 62.22 O ATOM 486 CB PHE A 35 1.685 -1.647 7.500 1.00 11.42 C ATOM 487 CG PHE A 35 1.544 -1.033 6.136 1.00 34.51 C ATOM 488 CD1 PHE A 35 1.750 0.323 5.946 1.00 41.51 C ATOM 489 CD2 PHE A 35 1.205 -1.814 5.042 1.00 70.43 C ATOM 490 CE1 PHE A 35 1.622 0.891 4.692 1.00 51.45 C ATOM 491 CE2 PHE A 35 1.076 -1.253 3.786 1.00 20.42 C ATOM 492 CZ PHE A 35 1.284 0.101 3.611 1.00 63.41 C ATOM 0 H PHE A 35 2.293 -2.794 9.598 1.00 11.41 H new ATOM 0 HA PHE A 35 2.074 -3.700 6.999 1.00 23.44 H new ATOM 0 HB2 PHE A 35 0.696 -1.915 7.873 1.00 11.42 H new ATOM 0 HB3 PHE A 35 2.093 -0.903 8.184 1.00 11.42 H new ATOM 0 HD1 PHE A 35 2.014 0.945 6.788 1.00 41.51 H new ATOM 0 HD2 PHE A 35 1.040 -2.873 5.173 1.00 70.43 H new ATOM 0 HE1 PHE A 35 1.786 1.950 4.558 1.00 51.45 H new ATOM 0 HE2 PHE A 35 0.813 -1.873 2.942 1.00 20.42 H new ATOM 0 HZ PHE A 35 1.182 0.541 2.630 1.00 63.41 H new ATOM 502 N ARG A 36 4.816 -1.952 7.514 1.00 3.21 N ATOM 503 CA ARG A 36 6.114 -1.610 6.947 1.00 13.31 C ATOM 504 C ARG A 36 6.932 -2.866 6.663 1.00 32.44 C ATOM 505 O ARG A 36 7.607 -2.962 5.638 1.00 13.53 O ATOM 506 CB ARG A 36 6.885 -0.692 7.897 1.00 2.23 C ATOM 507 CG ARG A 36 6.223 0.661 8.108 1.00 20.44 C ATOM 508 CD ARG A 36 6.989 1.772 7.408 1.00 70.30 C ATOM 509 NE ARG A 36 6.873 3.045 8.113 1.00 63.44 N ATOM 510 CZ ARG A 36 7.487 3.307 9.262 1.00 25.14 C ATOM 511 NH1 ARG A 36 8.257 2.390 9.831 1.00 4.30 N ATOM 512 NH2 ARG A 36 7.332 4.491 9.843 1.00 14.32 N ATOM 0 H ARG A 36 4.688 -1.658 8.482 1.00 3.21 H new ATOM 0 HA ARG A 36 5.943 -1.087 6.006 1.00 13.31 H new ATOM 0 HB2 ARG A 36 6.992 -1.189 8.861 1.00 2.23 H new ATOM 0 HB3 ARG A 36 7.890 -0.538 7.504 1.00 2.23 H new ATOM 0 HG2 ARG A 36 5.201 0.630 7.731 1.00 20.44 H new ATOM 0 HG3 ARG A 36 6.163 0.875 9.175 1.00 20.44 H new ATOM 0 HD2 ARG A 36 8.040 1.495 7.331 1.00 70.30 H new ATOM 0 HD3 ARG A 36 6.614 1.886 6.391 1.00 70.30 H new ATOM 0 HE ARG A 36 6.289 3.773 7.701 1.00 63.44 H new ATOM 0 HH11 ARG A 36 8.380 1.480 9.387 1.00 4.30 H new ATOM 0 HH12 ARG A 36 8.727 2.594 10.713 1.00 4.30 H new ATOM 0 HH21 ARG A 36 6.742 5.199 9.407 1.00 14.32 H new ATOM 0 HH22 ARG A 36 7.803 4.692 10.725 1.00 14.32 H new ATOM 526 N TRP A 37 6.867 -3.827 7.578 1.00 21.35 N ATOM 527 CA TRP A 37 7.602 -5.078 7.426 1.00 3.23 C ATOM 528 C TRP A 37 7.160 -5.820 6.170 1.00 64.12 C ATOM 529 O TRP A 37 7.953 -6.516 5.537 1.00 10.51 O ATOM 530 CB TRP A 37 7.398 -5.965 8.656 1.00 51.42 C ATOM 531 CG TRP A 37 7.945 -7.350 8.485 1.00 63.45 C ATOM 532 CD1 TRP A 37 9.143 -7.820 8.944 1.00 35.44 C ATOM 533 CD2 TRP A 37 7.314 -8.443 7.810 1.00 30.43 C ATOM 534 NE1 TRP A 37 9.295 -9.140 8.592 1.00 62.30 N ATOM 535 CE2 TRP A 37 8.186 -9.546 7.897 1.00 33.24 C ATOM 536 CE3 TRP A 37 6.097 -8.598 7.141 1.00 21.24 C ATOM 537 CZ2 TRP A 37 7.879 -10.784 7.338 1.00 45.43 C ATOM 538 CZ3 TRP A 37 5.794 -9.827 6.587 1.00 63.42 C ATOM 539 CH2 TRP A 37 6.680 -10.907 6.689 1.00 73.13 C ATOM 0 H TRP A 37 6.313 -3.764 8.432 1.00 21.35 H new ATOM 0 HA TRP A 37 8.661 -4.839 7.330 1.00 3.23 H new ATOM 0 HB2 TRP A 37 7.876 -5.497 9.516 1.00 51.42 H new ATOM 0 HB3 TRP A 37 6.333 -6.027 8.878 1.00 51.42 H new ATOM 0 HD1 TRP A 37 9.864 -7.240 9.501 1.00 35.44 H new ATOM 0 HE1 TRP A 37 10.102 -9.723 8.812 1.00 62.30 H new ATOM 0 HE3 TRP A 37 5.406 -7.772 7.058 1.00 21.24 H new ATOM 0 HZ2 TRP A 37 8.562 -11.617 7.414 1.00 45.43 H new ATOM 0 HZ3 TRP A 37 4.857 -9.957 6.066 1.00 63.42 H new ATOM 0 HH2 TRP A 37 6.412 -11.855 6.247 1.00 73.13 H new ATOM 550 N ALA A 38 5.888 -5.668 5.814 1.00 23.51 N ATOM 551 CA ALA A 38 5.342 -6.322 4.632 1.00 63.21 C ATOM 552 C ALA A 38 5.822 -5.641 3.356 1.00 0.51 C ATOM 553 O ALA A 38 6.421 -6.276 2.488 1.00 74.34 O ATOM 554 CB ALA A 38 3.821 -6.330 4.688 1.00 71.43 C ATOM 0 H ALA A 38 5.217 -5.097 6.328 1.00 23.51 H new ATOM 0 HA ALA A 38 5.700 -7.351 4.620 1.00 63.21 H new ATOM 0 HB1 ALA A 38 3.427 -6.822 3.799 1.00 71.43 H new ATOM 0 HB2 ALA A 38 3.492 -6.869 5.576 1.00 71.43 H new ATOM 0 HB3 ALA A 38 3.453 -5.305 4.729 1.00 71.43 H new ATOM 560 N ILE A 39 5.555 -4.344 3.247 1.00 3.33 N ATOM 561 CA ILE A 39 5.961 -3.575 2.076 1.00 41.02 C ATOM 562 C ILE A 39 7.476 -3.594 1.905 1.00 41.40 C ATOM 563 O ILE A 39 7.984 -3.675 0.787 1.00 24.30 O ATOM 564 CB ILE A 39 5.483 -2.115 2.168 1.00 4.31 C ATOM 565 CG1 ILE A 39 5.951 -1.324 0.944 1.00 44.12 C ATOM 566 CG2 ILE A 39 5.993 -1.470 3.448 1.00 42.32 C ATOM 567 CD1 ILE A 39 5.483 0.114 0.938 1.00 65.21 C ATOM 0 H ILE A 39 5.059 -3.803 3.955 1.00 3.33 H new ATOM 0 HA ILE A 39 5.495 -4.046 1.211 1.00 41.02 H new ATOM 0 HB ILE A 39 4.393 -2.106 2.189 1.00 4.31 H new ATOM 0 HG12 ILE A 39 7.040 -1.343 0.904 1.00 44.12 H new ATOM 0 HG13 ILE A 39 5.590 -1.819 0.042 1.00 44.12 H new ATOM 0 HG21 ILE A 39 5.647 -0.438 3.498 1.00 42.32 H new ATOM 0 HG22 ILE A 39 5.616 -2.022 4.309 1.00 42.32 H new ATOM 0 HG23 ILE A 39 7.083 -1.488 3.455 1.00 42.32 H new ATOM 0 HD11 ILE A 39 5.852 0.613 0.042 1.00 65.21 H new ATOM 0 HD12 ILE A 39 4.393 0.142 0.946 1.00 65.21 H new ATOM 0 HD13 ILE A 39 5.866 0.625 1.821 1.00 65.21 H new ATOM 579 N ARG A 40 8.193 -3.518 3.022 1.00 63.03 N ATOM 580 CA ARG A 40 9.651 -3.527 2.997 1.00 2.35 C ATOM 581 C ARG A 40 10.177 -4.844 2.435 1.00 70.31 C ATOM 582 O ARG A 40 10.954 -4.857 1.481 1.00 70.23 O ATOM 583 CB ARG A 40 10.208 -3.299 4.403 1.00 75.22 C ATOM 584 CG ARG A 40 11.721 -3.424 4.486 1.00 33.42 C ATOM 585 CD ARG A 40 12.413 -2.430 3.567 1.00 70.25 C ATOM 586 NE ARG A 40 13.537 -1.769 4.224 1.00 42.13 N ATOM 587 CZ ARG A 40 13.401 -0.734 5.047 1.00 50.32 C ATOM 588 NH1 ARG A 40 12.197 -0.247 5.312 1.00 12.35 N ATOM 589 NH2 ARG A 40 14.471 -0.185 5.608 1.00 34.12 N ATOM 0 H ARG A 40 7.788 -3.450 3.956 1.00 63.03 H new ATOM 0 HA ARG A 40 9.984 -2.717 2.347 1.00 2.35 H new ATOM 0 HB2 ARG A 40 9.915 -2.306 4.744 1.00 75.22 H new ATOM 0 HB3 ARG A 40 9.754 -4.018 5.085 1.00 75.22 H new ATOM 0 HG2 ARG A 40 12.045 -3.258 5.513 1.00 33.42 H new ATOM 0 HG3 ARG A 40 12.019 -4.438 4.218 1.00 33.42 H new ATOM 0 HD2 ARG A 40 12.767 -2.947 2.675 1.00 70.25 H new ATOM 0 HD3 ARG A 40 11.694 -1.680 3.237 1.00 70.25 H new ATOM 0 HE ARG A 40 14.477 -2.120 4.042 1.00 42.13 H new ATOM 0 HH11 ARG A 40 11.372 -0.667 4.884 1.00 12.35 H new ATOM 0 HH12 ARG A 40 12.096 0.547 5.944 1.00 12.35 H new ATOM 0 HH21 ARG A 40 15.399 -0.557 5.408 1.00 34.12 H new ATOM 0 HH22 ARG A 40 14.365 0.609 6.239 1.00 34.12 H new ATOM 603 N MET A 41 9.748 -5.950 3.035 1.00 0.24 N ATOM 604 CA MET A 41 10.176 -7.272 2.595 1.00 34.23 C ATOM 605 C MET A 41 9.694 -7.555 1.175 1.00 32.32 C ATOM 606 O MET A 41 10.491 -7.860 0.288 1.00 40.05 O ATOM 607 CB MET A 41 9.648 -8.346 3.548 1.00 53.43 C ATOM 608 CG MET A 41 9.923 -9.765 3.076 1.00 53.25 C ATOM 609 SD MET A 41 10.208 -10.908 4.442 1.00 4.30 S ATOM 610 CE MET A 41 11.855 -11.496 4.054 1.00 24.52 C ATOM 0 H MET A 41 9.105 -5.956 3.827 1.00 0.24 H new ATOM 0 HA MET A 41 11.266 -7.294 2.602 1.00 34.23 H new ATOM 0 HB2 MET A 41 10.101 -8.204 4.529 1.00 53.43 H new ATOM 0 HB3 MET A 41 8.573 -8.215 3.671 1.00 53.43 H new ATOM 0 HG2 MET A 41 9.079 -10.117 2.483 1.00 53.25 H new ATOM 0 HG3 MET A 41 10.794 -9.764 2.421 1.00 53.25 H new ATOM 0 HE1 MET A 41 12.173 -12.213 4.811 1.00 24.52 H new ATOM 0 HE2 MET A 41 11.848 -11.978 3.077 1.00 24.52 H new ATOM 0 HE3 MET A 41 12.548 -10.654 4.039 1.00 24.52 H new ATOM 620 N ALA A 42 8.386 -7.451 0.968 1.00 23.52 N ATOM 621 CA ALA A 42 7.798 -7.694 -0.344 1.00 12.20 C ATOM 622 C ALA A 42 8.502 -6.875 -1.421 1.00 32.22 C ATOM 623 O ALA A 42 8.571 -7.284 -2.578 1.00 11.45 O ATOM 624 CB ALA A 42 6.311 -7.376 -0.324 1.00 44.20 C ATOM 0 H ALA A 42 7.713 -7.200 1.692 1.00 23.52 H new ATOM 0 HA ALA A 42 7.929 -8.749 -0.583 1.00 12.20 H new ATOM 0 HB1 ALA A 42 5.886 -7.562 -1.310 1.00 44.20 H new ATOM 0 HB2 ALA A 42 5.813 -8.009 0.411 1.00 44.20 H new ATOM 0 HB3 ALA A 42 6.166 -6.329 -0.058 1.00 44.20 H new ATOM 630 N ASN A 43 9.022 -5.716 -1.031 1.00 51.35 N ATOM 631 CA ASN A 43 9.720 -4.839 -1.963 1.00 2.42 C ATOM 632 C ASN A 43 11.051 -5.449 -2.393 1.00 64.10 C ATOM 633 O ASN A 43 11.280 -5.696 -3.576 1.00 60.40 O ATOM 634 CB ASN A 43 9.956 -3.468 -1.327 1.00 53.13 C ATOM 635 CG ASN A 43 8.827 -2.496 -1.608 1.00 34.21 C ATOM 636 OD1 ASN A 43 8.031 -2.703 -2.524 1.00 22.44 O ATOM 637 ND2 ASN A 43 8.753 -1.430 -0.821 1.00 10.13 N ATOM 0 H ASN A 43 8.973 -5.362 -0.076 1.00 51.35 H new ATOM 0 HA ASN A 43 9.094 -4.719 -2.847 1.00 2.42 H new ATOM 0 HB2 ASN A 43 10.070 -3.586 -0.249 1.00 53.13 H new ATOM 0 HB3 ASN A 43 10.891 -3.053 -1.703 1.00 53.13 H new ATOM 0 HD21 ASN A 43 8.014 -0.741 -0.963 1.00 10.13 H new ATOM 0 HD22 ASN A 43 9.435 -1.299 -0.074 1.00 10.13 H new ATOM 644 N VAL A 44 11.926 -5.689 -1.421 1.00 52.31 N ATOM 645 CA VAL A 44 13.234 -6.272 -1.697 1.00 2.02 C ATOM 646 C VAL A 44 13.098 -7.646 -2.345 1.00 61.12 C ATOM 647 O VAL A 44 13.805 -7.966 -3.299 1.00 34.01 O ATOM 648 CB VAL A 44 14.073 -6.403 -0.412 1.00 1.23 C ATOM 649 CG1 VAL A 44 15.465 -6.925 -0.734 1.00 41.03 C ATOM 650 CG2 VAL A 44 14.150 -5.068 0.312 1.00 42.14 C ATOM 0 H VAL A 44 11.753 -5.489 -0.436 1.00 52.31 H new ATOM 0 HA VAL A 44 13.742 -5.597 -2.386 1.00 2.02 H new ATOM 0 HB VAL A 44 13.585 -7.121 0.248 1.00 1.23 H new ATOM 0 HG11 VAL A 44 16.043 -7.011 0.186 1.00 41.03 H new ATOM 0 HG12 VAL A 44 15.386 -7.904 -1.206 1.00 41.03 H new ATOM 0 HG13 VAL A 44 15.965 -6.234 -1.413 1.00 41.03 H new ATOM 0 HG21 VAL A 44 14.746 -5.179 1.218 1.00 42.14 H new ATOM 0 HG22 VAL A 44 14.614 -4.327 -0.339 1.00 42.14 H new ATOM 0 HG23 VAL A 44 13.145 -4.740 0.577 1.00 42.14 H new ATOM 660 N SER A 45 12.182 -8.454 -1.818 1.00 13.21 N ATOM 661 CA SER A 45 11.956 -9.795 -2.344 1.00 63.33 C ATOM 662 C SER A 45 11.627 -9.748 -3.832 1.00 2.44 C ATOM 663 O SER A 45 11.851 -10.715 -4.561 1.00 73.32 O ATOM 664 CB SER A 45 10.818 -10.477 -1.581 1.00 71.22 C ATOM 665 OG SER A 45 10.234 -11.511 -2.354 1.00 20.30 O ATOM 0 H SER A 45 11.586 -8.203 -1.029 1.00 13.21 H new ATOM 0 HA SER A 45 12.872 -10.370 -2.211 1.00 63.33 H new ATOM 0 HB2 SER A 45 11.198 -10.888 -0.646 1.00 71.22 H new ATOM 0 HB3 SER A 45 10.058 -9.740 -1.320 1.00 71.22 H new ATOM 0 HG SER A 45 9.511 -11.932 -1.844 1.00 20.30 H new ATOM 671 N THR A 46 11.095 -8.614 -4.279 1.00 12.13 N ATOM 672 CA THR A 46 10.735 -8.440 -5.680 1.00 4.23 C ATOM 673 C THR A 46 11.790 -7.627 -6.422 1.00 54.24 C ATOM 674 O THR A 46 11.872 -7.670 -7.649 1.00 23.23 O ATOM 675 CB THR A 46 9.370 -7.742 -5.827 1.00 4.10 C ATOM 676 OG1 THR A 46 9.420 -6.439 -5.234 1.00 4.11 O ATOM 677 CG2 THR A 46 8.270 -8.561 -5.169 1.00 32.43 C ATOM 0 H THR A 46 10.904 -7.803 -3.691 1.00 12.13 H new ATOM 0 HA THR A 46 10.674 -9.437 -6.116 1.00 4.23 H new ATOM 0 HB THR A 46 9.147 -7.649 -6.890 1.00 4.10 H new ATOM 0 HG1 THR A 46 10.277 -6.322 -4.774 1.00 4.11 H new ATOM 0 HG21 THR A 46 7.315 -8.048 -5.286 1.00 32.43 H new ATOM 0 HG22 THR A 46 8.215 -9.542 -5.641 1.00 32.43 H new ATOM 0 HG23 THR A 46 8.490 -8.681 -4.108 1.00 32.43 H new ATOM 685 N GLY A 47 12.599 -6.887 -5.669 1.00 20.24 N ATOM 686 CA GLY A 47 13.639 -6.075 -6.274 1.00 63.42 C ATOM 687 C GLY A 47 13.093 -4.808 -6.902 1.00 52.45 C ATOM 688 O GLY A 47 13.613 -4.337 -7.914 1.00 2.33 O ATOM 0 H GLY A 47 12.553 -6.835 -4.651 1.00 20.24 H new ATOM 0 HA2 GLY A 47 14.378 -5.812 -5.517 1.00 63.42 H new ATOM 0 HA3 GLY A 47 14.156 -6.660 -7.034 1.00 63.42 H new ATOM 692 N ARG A 48 12.044 -4.256 -6.303 1.00 33.31 N ATOM 693 CA ARG A 48 11.427 -3.038 -6.812 1.00 4.02 C ATOM 694 C ARG A 48 11.951 -1.812 -6.072 1.00 10.40 C ATOM 695 O ARG A 48 11.178 -0.958 -5.638 1.00 32.11 O ATOM 696 CB ARG A 48 9.905 -3.116 -6.676 1.00 61.13 C ATOM 697 CG ARG A 48 9.155 -2.407 -7.792 1.00 52.41 C ATOM 698 CD ARG A 48 8.016 -3.259 -8.328 1.00 72.13 C ATOM 699 NE ARG A 48 8.463 -4.175 -9.374 1.00 31.44 N ATOM 700 CZ ARG A 48 8.805 -3.782 -10.596 1.00 33.30 C ATOM 701 NH1 ARG A 48 8.754 -2.499 -10.923 1.00 22.03 N ATOM 702 NH2 ARG A 48 9.202 -4.675 -11.494 1.00 31.30 N ATOM 0 H ARG A 48 11.603 -4.633 -5.464 1.00 33.31 H new ATOM 0 HA ARG A 48 11.687 -2.943 -7.866 1.00 4.02 H new ATOM 0 HB2 ARG A 48 9.604 -4.163 -6.656 1.00 61.13 H new ATOM 0 HB3 ARG A 48 9.612 -2.682 -5.720 1.00 61.13 H new ATOM 0 HG2 ARG A 48 8.760 -1.461 -7.422 1.00 52.41 H new ATOM 0 HG3 ARG A 48 9.845 -2.170 -8.602 1.00 52.41 H new ATOM 0 HD2 ARG A 48 7.575 -3.830 -7.511 1.00 72.13 H new ATOM 0 HD3 ARG A 48 7.234 -2.611 -8.723 1.00 72.13 H new ATOM 0 HE ARG A 48 8.515 -5.170 -9.154 1.00 31.44 H new ATOM 0 HH11 ARG A 48 8.451 -1.809 -10.235 1.00 22.03 H new ATOM 0 HH12 ARG A 48 9.017 -2.201 -11.862 1.00 22.03 H new ATOM 0 HH21 ARG A 48 9.245 -5.663 -11.246 1.00 31.30 H new ATOM 0 HH22 ARG A 48 9.464 -4.373 -12.432 1.00 31.30 H new ATOM 716 N GLU A 49 13.271 -1.732 -5.931 1.00 10.40 N ATOM 717 CA GLU A 49 13.898 -0.611 -5.241 1.00 13.44 C ATOM 718 C GLU A 49 13.497 -0.584 -3.770 1.00 45.44 C ATOM 719 O GLU A 49 12.436 -1.070 -3.380 1.00 63.22 O ATOM 720 CB GLU A 49 13.512 0.710 -5.910 1.00 31.44 C ATOM 721 CG GLU A 49 13.572 0.663 -7.428 1.00 15.22 C ATOM 722 CD GLU A 49 13.468 2.038 -8.059 1.00 42.20 C ATOM 723 OE1 GLU A 49 14.524 2.649 -8.327 1.00 32.24 O ATOM 724 OE2 GLU A 49 12.331 2.503 -8.284 1.00 54.20 O ATOM 0 H GLU A 49 13.926 -2.429 -6.285 1.00 10.40 H new ATOM 0 HA GLU A 49 14.979 -0.739 -5.303 1.00 13.44 H new ATOM 0 HB2 GLU A 49 12.502 0.982 -5.603 1.00 31.44 H new ATOM 0 HB3 GLU A 49 14.177 1.497 -5.553 1.00 31.44 H new ATOM 0 HG2 GLU A 49 14.507 0.196 -7.737 1.00 15.22 H new ATOM 0 HG3 GLU A 49 12.763 0.034 -7.801 1.00 15.22 H new ATOM 731 N PRO A 50 14.366 -0.002 -2.930 1.00 10.51 N ATOM 732 CA PRO A 50 14.126 0.104 -1.488 1.00 34.40 C ATOM 733 C PRO A 50 13.001 1.080 -1.157 1.00 15.41 C ATOM 734 O PRO A 50 12.100 0.765 -0.383 1.00 62.35 O ATOM 735 CB PRO A 50 15.459 0.619 -0.942 1.00 71.34 C ATOM 736 CG PRO A 50 16.086 1.336 -2.087 1.00 11.30 C ATOM 737 CD PRO A 50 15.652 0.600 -3.324 1.00 34.14 C ATOM 0 HA PRO A 50 13.813 -0.847 -1.057 1.00 34.40 H new ATOM 0 HB2 PRO A 50 15.308 1.285 -0.093 1.00 71.34 H new ATOM 0 HB3 PRO A 50 16.088 -0.201 -0.596 1.00 71.34 H new ATOM 0 HG2 PRO A 50 15.764 2.377 -2.119 1.00 11.30 H new ATOM 0 HG3 PRO A 50 17.172 1.341 -1.997 1.00 11.30 H new ATOM 0 HD2 PRO A 50 15.537 1.274 -4.173 1.00 34.14 H new ATOM 0 HD3 PRO A 50 16.378 -0.159 -3.616 1.00 34.14 H new ATOM 745 N GLY A 51 13.063 2.268 -1.752 1.00 31.32 N ATOM 746 CA GLY A 51 12.044 3.273 -1.507 1.00 34.44 C ATOM 747 C GLY A 51 10.820 3.080 -2.380 1.00 24.52 C ATOM 748 O GLY A 51 10.607 3.824 -3.337 1.00 1.24 O ATOM 0 H GLY A 51 13.799 2.552 -2.398 1.00 31.32 H new ATOM 0 HA2 GLY A 51 11.748 3.238 -0.458 1.00 34.44 H new ATOM 0 HA3 GLY A 51 12.463 4.263 -1.687 1.00 34.44 H new ATOM 752 N ASP A 52 10.012 2.077 -2.050 1.00 63.22 N ATOM 753 CA ASP A 52 8.802 1.788 -2.810 1.00 32.44 C ATOM 754 C ASP A 52 7.556 2.038 -1.966 1.00 14.10 C ATOM 755 O ASP A 52 7.126 1.170 -1.206 1.00 22.35 O ATOM 756 CB ASP A 52 8.817 0.340 -3.303 1.00 42.13 C ATOM 757 CG ASP A 52 8.728 0.240 -4.812 1.00 22.44 C ATOM 758 OD1 ASP A 52 7.983 -0.633 -5.307 1.00 22.31 O ATOM 759 OD2 ASP A 52 9.400 1.035 -5.500 1.00 51.52 O ATOM 0 H ASP A 52 10.174 1.451 -1.261 1.00 63.22 H new ATOM 0 HA ASP A 52 8.776 2.457 -3.670 1.00 32.44 H new ATOM 0 HB2 ASP A 52 9.731 -0.147 -2.963 1.00 42.13 H new ATOM 0 HB3 ASP A 52 7.983 -0.201 -2.856 1.00 42.13 H new ATOM 764 N ILE A 53 6.984 3.229 -2.104 1.00 24.31 N ATOM 765 CA ILE A 53 5.789 3.593 -1.353 1.00 21.31 C ATOM 766 C ILE A 53 4.746 4.237 -2.260 1.00 25.34 C ATOM 767 O ILE A 53 4.528 5.449 -2.234 1.00 23.42 O ATOM 768 CB ILE A 53 6.119 4.560 -0.202 1.00 55.31 C ATOM 769 CG1 ILE A 53 6.999 5.706 -0.706 1.00 3.23 C ATOM 770 CG2 ILE A 53 6.806 3.817 0.933 1.00 54.42 C ATOM 771 CD1 ILE A 53 6.882 6.967 0.121 1.00 41.51 C ATOM 0 H ILE A 53 7.329 3.958 -2.729 1.00 24.31 H new ATOM 0 HA ILE A 53 5.385 2.670 -0.936 1.00 21.31 H new ATOM 0 HB ILE A 53 5.188 4.982 0.177 1.00 55.31 H new ATOM 0 HG12 ILE A 53 8.039 5.380 -0.711 1.00 3.23 H new ATOM 0 HG13 ILE A 53 6.731 5.932 -1.738 1.00 3.23 H new ATOM 0 HG21 ILE A 53 7.033 4.514 1.739 1.00 54.42 H new ATOM 0 HG22 ILE A 53 6.147 3.033 1.306 1.00 54.42 H new ATOM 0 HG23 ILE A 53 7.731 3.371 0.568 1.00 54.42 H new ATOM 0 HD11 ILE A 53 7.533 7.736 -0.294 1.00 41.51 H new ATOM 0 HD12 ILE A 53 5.850 7.318 0.105 1.00 41.51 H new ATOM 0 HD13 ILE A 53 7.178 6.757 1.149 1.00 41.51 H new ATOM 783 N PRO A 54 4.082 3.409 -3.082 1.00 53.51 N ATOM 784 CA PRO A 54 3.049 3.876 -4.010 1.00 15.02 C ATOM 785 C PRO A 54 1.785 4.331 -3.290 1.00 23.11 C ATOM 786 O PRO A 54 1.740 4.370 -2.061 1.00 12.55 O ATOM 787 CB PRO A 54 2.761 2.642 -4.869 1.00 60.03 C ATOM 788 CG PRO A 54 3.137 1.485 -4.008 1.00 3.10 C ATOM 789 CD PRO A 54 4.291 1.954 -3.167 1.00 42.24 C ATOM 0 HA PRO A 54 3.377 4.744 -4.582 1.00 15.02 H new ATOM 0 HB2 PRO A 54 1.711 2.596 -5.157 1.00 60.03 H new ATOM 0 HB3 PRO A 54 3.344 2.656 -5.790 1.00 60.03 H new ATOM 0 HG2 PRO A 54 2.299 1.175 -3.383 1.00 3.10 H new ATOM 0 HG3 PRO A 54 3.420 0.624 -4.613 1.00 3.10 H new ATOM 0 HD2 PRO A 54 4.285 1.489 -2.181 1.00 42.24 H new ATOM 0 HD3 PRO A 54 5.249 1.712 -3.628 1.00 42.24 H new ATOM 797 N GLU A 55 0.759 4.674 -4.064 1.00 50.12 N ATOM 798 CA GLU A 55 -0.506 5.127 -3.497 1.00 1.21 C ATOM 799 C GLU A 55 -1.652 4.909 -4.482 1.00 44.34 C ATOM 800 O GLU A 55 -2.461 5.807 -4.719 1.00 74.24 O ATOM 801 CB GLU A 55 -0.419 6.606 -3.117 1.00 4.30 C ATOM 802 CG GLU A 55 0.272 6.853 -1.786 1.00 63.51 C ATOM 803 CD GLU A 55 0.131 8.288 -1.314 1.00 75.45 C ATOM 804 OE1 GLU A 55 -0.368 8.495 -0.188 1.00 61.32 O ATOM 805 OE2 GLU A 55 0.521 9.203 -2.068 1.00 35.23 O ATOM 0 H GLU A 55 0.779 4.647 -5.083 1.00 50.12 H new ATOM 0 HA GLU A 55 -0.704 4.540 -2.600 1.00 1.21 H new ATOM 0 HB2 GLU A 55 0.117 7.143 -3.900 1.00 4.30 H new ATOM 0 HB3 GLU A 55 -1.426 7.022 -3.077 1.00 4.30 H new ATOM 0 HG2 GLU A 55 -0.146 6.184 -1.034 1.00 63.51 H new ATOM 0 HG3 GLU A 55 1.330 6.607 -1.879 1.00 63.51 H new ATOM 812 N THR A 56 -1.714 3.711 -5.054 1.00 41.34 N ATOM 813 CA THR A 56 -2.758 3.375 -6.013 1.00 10.40 C ATOM 814 C THR A 56 -3.168 1.912 -5.890 1.00 41.13 C ATOM 815 O THR A 56 -2.319 1.027 -5.778 1.00 73.24 O ATOM 816 CB THR A 56 -2.301 3.649 -7.458 1.00 13.12 C ATOM 817 OG1 THR A 56 -1.350 2.658 -7.867 1.00 23.43 O ATOM 818 CG2 THR A 56 -1.681 5.033 -7.578 1.00 3.10 C ATOM 0 H THR A 56 -1.053 2.957 -4.869 1.00 41.34 H new ATOM 0 HA THR A 56 -3.614 4.009 -5.784 1.00 10.40 H new ATOM 0 HB THR A 56 -3.176 3.603 -8.106 1.00 13.12 H new ATOM 0 HG1 THR A 56 -0.445 3.029 -7.809 1.00 23.43 H new ATOM 0 HG21 THR A 56 -1.366 5.203 -8.608 1.00 3.10 H new ATOM 0 HG22 THR A 56 -2.416 5.787 -7.294 1.00 3.10 H new ATOM 0 HG23 THR A 56 -0.816 5.103 -6.918 1.00 3.10 H new ATOM 826 N LEU A 57 -4.473 1.664 -5.912 1.00 1.24 N ATOM 827 CA LEU A 57 -4.996 0.308 -5.804 1.00 62.43 C ATOM 828 C LEU A 57 -4.391 -0.597 -6.874 1.00 51.14 C ATOM 829 O LEU A 57 -4.243 -1.802 -6.671 1.00 21.42 O ATOM 830 CB LEU A 57 -6.521 0.316 -5.930 1.00 75.21 C ATOM 831 CG LEU A 57 -7.270 -0.706 -5.075 1.00 23.30 C ATOM 832 CD1 LEU A 57 -8.389 -0.032 -4.296 1.00 33.14 C ATOM 833 CD2 LEU A 57 -7.823 -1.827 -5.945 1.00 41.33 C ATOM 0 H LEU A 57 -5.188 2.385 -6.004 1.00 1.24 H new ATOM 0 HA LEU A 57 -4.720 -0.083 -4.825 1.00 62.43 H new ATOM 0 HB2 LEU A 57 -6.882 1.311 -5.670 1.00 75.21 H new ATOM 0 HB3 LEU A 57 -6.780 0.145 -6.975 1.00 75.21 H new ATOM 0 HG LEU A 57 -6.568 -1.139 -4.362 1.00 23.30 H new ATOM 0 HD11 LEU A 57 -8.911 -0.775 -3.693 1.00 33.14 H new ATOM 0 HD12 LEU A 57 -7.969 0.734 -3.644 1.00 33.14 H new ATOM 0 HD13 LEU A 57 -9.090 0.429 -4.992 1.00 33.14 H new ATOM 0 HD21 LEU A 57 -8.353 -2.545 -5.320 1.00 41.33 H new ATOM 0 HD22 LEU A 57 -8.510 -1.411 -6.682 1.00 41.33 H new ATOM 0 HD23 LEU A 57 -7.002 -2.329 -6.457 1.00 41.33 H new ATOM 845 N ASP A 58 -4.040 -0.006 -8.011 1.00 42.22 N ATOM 846 CA ASP A 58 -3.448 -0.757 -9.111 1.00 73.14 C ATOM 847 C ASP A 58 -2.035 -1.213 -8.759 1.00 75.42 C ATOM 848 O ASP A 58 -1.683 -2.378 -8.951 1.00 3.43 O ATOM 849 CB ASP A 58 -3.420 0.094 -10.381 1.00 33.10 C ATOM 850 CG ASP A 58 -4.750 0.093 -11.109 1.00 64.14 C ATOM 851 OD1 ASP A 58 -5.684 -0.590 -10.637 1.00 60.32 O ATOM 852 OD2 ASP A 58 -4.858 0.775 -12.148 1.00 13.03 O ATOM 0 H ASP A 58 -4.155 0.991 -8.195 1.00 42.22 H new ATOM 0 HA ASP A 58 -4.063 -1.640 -9.288 1.00 73.14 H new ATOM 0 HB2 ASP A 58 -3.152 1.118 -10.122 1.00 33.10 H new ATOM 0 HB3 ASP A 58 -2.644 -0.280 -11.048 1.00 33.10 H new ATOM 857 N GLN A 59 -1.231 -0.290 -8.244 1.00 4.01 N ATOM 858 CA GLN A 59 0.143 -0.597 -7.867 1.00 11.21 C ATOM 859 C GLN A 59 0.185 -1.701 -6.816 1.00 75.42 C ATOM 860 O GLN A 59 1.081 -2.548 -6.825 1.00 43.11 O ATOM 861 CB GLN A 59 0.841 0.656 -7.335 1.00 40.32 C ATOM 862 CG GLN A 59 1.457 1.517 -8.425 1.00 4.43 C ATOM 863 CD GLN A 59 2.016 2.823 -7.891 1.00 34.54 C ATOM 864 OE1 GLN A 59 1.154 3.632 -7.286 1.00 74.50 O flip ATOM 865 NE2 GLN A 59 3.208 3.101 -8.022 1.00 11.32 N flip ATOM 0 H GLN A 59 -1.507 0.678 -8.078 1.00 4.01 H new ATOM 0 HA GLN A 59 0.667 -0.946 -8.756 1.00 11.21 H new ATOM 0 HB2 GLN A 59 0.121 1.253 -6.775 1.00 40.32 H new ATOM 0 HB3 GLN A 59 1.621 0.358 -6.635 1.00 40.32 H new ATOM 0 HG2 GLN A 59 2.254 0.959 -8.917 1.00 4.43 H new ATOM 0 HG3 GLN A 59 0.703 1.731 -9.183 1.00 4.43 H new ATOM 0 HE21 GLN A 59 3.835 2.449 -8.494 1.00 11.32 H new ATOM 0 HE22 GLN A 59 3.569 3.983 -7.659 1.00 11.32 H new ATOM 874 N LEU A 60 -0.788 -1.688 -5.912 1.00 12.11 N ATOM 875 CA LEU A 60 -0.862 -2.689 -4.854 1.00 71.32 C ATOM 876 C LEU A 60 -1.164 -4.069 -5.429 1.00 24.31 C ATOM 877 O LEU A 60 -0.506 -5.053 -5.089 1.00 25.21 O ATOM 878 CB LEU A 60 -1.935 -2.303 -3.834 1.00 51.13 C ATOM 879 CG LEU A 60 -1.457 -1.483 -2.635 1.00 24.53 C ATOM 880 CD1 LEU A 60 -0.606 -2.337 -1.709 1.00 43.32 C ATOM 881 CD2 LEU A 60 -0.679 -0.260 -3.101 1.00 70.51 C ATOM 0 H LEU A 60 -1.537 -0.995 -5.890 1.00 12.11 H new ATOM 0 HA LEU A 60 0.107 -2.728 -4.356 1.00 71.32 H new ATOM 0 HB2 LEU A 60 -2.711 -1.737 -4.349 1.00 51.13 H new ATOM 0 HB3 LEU A 60 -2.400 -3.216 -3.462 1.00 51.13 H new ATOM 0 HG LEU A 60 -2.332 -1.143 -2.080 1.00 24.53 H new ATOM 0 HD11 LEU A 60 -0.275 -1.736 -0.862 1.00 43.32 H new ATOM 0 HD12 LEU A 60 -1.195 -3.180 -1.348 1.00 43.32 H new ATOM 0 HD13 LEU A 60 0.263 -2.708 -2.252 1.00 43.32 H new ATOM 0 HD21 LEU A 60 -0.347 0.312 -2.235 1.00 70.51 H new ATOM 0 HD22 LEU A 60 0.188 -0.579 -3.680 1.00 70.51 H new ATOM 0 HD23 LEU A 60 -1.321 0.364 -3.723 1.00 70.51 H new ATOM 893 N ARG A 61 -2.163 -4.134 -6.304 1.00 64.13 N ATOM 894 CA ARG A 61 -2.552 -5.393 -6.927 1.00 3.43 C ATOM 895 C ARG A 61 -1.362 -6.044 -7.627 1.00 62.12 C ATOM 896 O ARG A 61 -1.180 -7.260 -7.562 1.00 52.31 O ATOM 897 CB ARG A 61 -3.683 -5.161 -7.931 1.00 0.24 C ATOM 898 CG ARG A 61 -4.063 -6.404 -8.720 1.00 55.22 C ATOM 899 CD ARG A 61 -5.062 -6.083 -9.820 1.00 54.22 C ATOM 900 NE ARG A 61 -4.610 -4.981 -10.665 1.00 71.42 N ATOM 901 CZ ARG A 61 -5.396 -4.349 -11.530 1.00 52.43 C ATOM 902 NH1 ARG A 61 -6.665 -4.708 -11.662 1.00 34.31 N ATOM 903 NH2 ARG A 61 -4.912 -3.355 -12.264 1.00 71.04 N ATOM 0 H ARG A 61 -2.717 -3.329 -6.597 1.00 64.13 H new ATOM 0 HA ARG A 61 -2.902 -6.065 -6.143 1.00 3.43 H new ATOM 0 HB2 ARG A 61 -4.561 -4.797 -7.398 1.00 0.24 H new ATOM 0 HB3 ARG A 61 -3.384 -4.377 -8.627 1.00 0.24 H new ATOM 0 HG2 ARG A 61 -3.168 -6.846 -9.158 1.00 55.22 H new ATOM 0 HG3 ARG A 61 -4.489 -7.148 -8.046 1.00 55.22 H new ATOM 0 HD2 ARG A 61 -5.222 -6.969 -10.434 1.00 54.22 H new ATOM 0 HD3 ARG A 61 -6.023 -5.827 -9.374 1.00 54.22 H new ATOM 0 HE ARG A 61 -3.638 -4.680 -10.587 1.00 71.42 H new ATOM 0 HH11 ARG A 61 -7.040 -5.471 -11.099 1.00 34.31 H new ATOM 0 HH12 ARG A 61 -7.266 -4.221 -12.327 1.00 34.31 H new ATOM 0 HH21 ARG A 61 -3.936 -3.076 -12.164 1.00 71.04 H new ATOM 0 HH22 ARG A 61 -5.516 -2.870 -12.928 1.00 71.04 H new ATOM 917 N LEU A 62 -0.556 -5.226 -8.295 1.00 61.30 N ATOM 918 CA LEU A 62 0.617 -5.723 -9.006 1.00 4.23 C ATOM 919 C LEU A 62 1.645 -6.292 -8.034 1.00 4.32 C ATOM 920 O LEU A 62 2.208 -7.362 -8.265 1.00 64.03 O ATOM 921 CB LEU A 62 1.248 -4.601 -9.833 1.00 30.25 C ATOM 922 CG LEU A 62 0.859 -4.558 -11.312 1.00 2.04 C ATOM 923 CD1 LEU A 62 1.404 -3.300 -11.970 1.00 5.45 C ATOM 924 CD2 LEU A 62 1.363 -5.799 -12.032 1.00 33.23 C ATOM 0 H LEU A 62 -0.693 -4.217 -8.359 1.00 61.30 H new ATOM 0 HA LEU A 62 0.295 -6.523 -9.673 1.00 4.23 H new ATOM 0 HB2 LEU A 62 0.979 -3.647 -9.379 1.00 30.25 H new ATOM 0 HB3 LEU A 62 2.332 -4.692 -9.765 1.00 30.25 H new ATOM 0 HG LEU A 62 -0.229 -4.538 -11.382 1.00 2.04 H new ATOM 0 HD11 LEU A 62 1.118 -3.286 -13.022 1.00 5.45 H new ATOM 0 HD12 LEU A 62 0.995 -2.422 -11.471 1.00 5.45 H new ATOM 0 HD13 LEU A 62 2.491 -3.289 -11.890 1.00 5.45 H new ATOM 0 HD21 LEU A 62 1.077 -5.751 -13.083 1.00 33.23 H new ATOM 0 HD22 LEU A 62 2.449 -5.849 -11.953 1.00 33.23 H new ATOM 0 HD23 LEU A 62 0.925 -6.687 -11.577 1.00 33.23 H new ATOM 936 N VAL A 63 1.882 -5.570 -6.943 1.00 1.42 N ATOM 937 CA VAL A 63 2.840 -6.004 -5.933 1.00 4.14 C ATOM 938 C VAL A 63 2.511 -7.405 -5.431 1.00 41.41 C ATOM 939 O VAL A 63 3.402 -8.236 -5.254 1.00 65.34 O ATOM 940 CB VAL A 63 2.870 -5.036 -4.735 1.00 4.20 C ATOM 941 CG1 VAL A 63 3.851 -5.522 -3.679 1.00 32.22 C ATOM 942 CG2 VAL A 63 3.224 -3.629 -5.196 1.00 63.52 C ATOM 0 H VAL A 63 1.424 -4.682 -6.736 1.00 1.42 H new ATOM 0 HA VAL A 63 3.820 -6.012 -6.409 1.00 4.14 H new ATOM 0 HB VAL A 63 1.876 -5.009 -4.288 1.00 4.20 H new ATOM 0 HG11 VAL A 63 3.858 -4.825 -2.841 1.00 32.22 H new ATOM 0 HG12 VAL A 63 3.549 -6.509 -3.328 1.00 32.22 H new ATOM 0 HG13 VAL A 63 4.850 -5.581 -4.110 1.00 32.22 H new ATOM 0 HG21 VAL A 63 3.241 -2.958 -4.337 1.00 63.52 H new ATOM 0 HG22 VAL A 63 4.206 -3.637 -5.669 1.00 63.52 H new ATOM 0 HG23 VAL A 63 2.479 -3.283 -5.912 1.00 63.52 H new ATOM 952 N ILE A 64 1.227 -7.661 -5.205 1.00 41.43 N ATOM 953 CA ILE A 64 0.781 -8.962 -4.724 1.00 34.32 C ATOM 954 C ILE A 64 1.099 -10.059 -5.735 1.00 62.20 C ATOM 955 O ILE A 64 1.743 -11.055 -5.403 1.00 35.34 O ATOM 956 CB ILE A 64 -0.732 -8.968 -4.437 1.00 43.03 C ATOM 957 CG1 ILE A 64 -1.080 -7.898 -3.399 1.00 35.02 C ATOM 958 CG2 ILE A 64 -1.175 -10.343 -3.957 1.00 44.21 C ATOM 959 CD1 ILE A 64 -0.337 -8.060 -2.091 1.00 35.12 C ATOM 0 H ILE A 64 0.477 -6.984 -5.347 1.00 41.43 H new ATOM 0 HA ILE A 64 1.319 -9.157 -3.796 1.00 34.32 H new ATOM 0 HB ILE A 64 -1.263 -8.739 -5.361 1.00 43.03 H new ATOM 0 HG12 ILE A 64 -0.858 -6.915 -3.814 1.00 35.02 H new ATOM 0 HG13 ILE A 64 -2.152 -7.927 -3.204 1.00 35.02 H new ATOM 0 HG21 ILE A 64 -2.247 -10.331 -3.758 1.00 44.21 H new ATOM 0 HG22 ILE A 64 -0.957 -11.084 -4.726 1.00 44.21 H new ATOM 0 HG23 ILE A 64 -0.639 -10.599 -3.043 1.00 44.21 H new ATOM 0 HD11 ILE A 64 -0.633 -7.267 -1.404 1.00 35.12 H new ATOM 0 HD12 ILE A 64 -0.578 -9.029 -1.653 1.00 35.12 H new ATOM 0 HD13 ILE A 64 0.736 -8.001 -2.272 1.00 35.12 H new ATOM 971 N CYS A 65 0.643 -9.869 -6.969 1.00 50.33 N ATOM 972 CA CYS A 65 0.880 -10.842 -8.029 1.00 74.31 C ATOM 973 C CYS A 65 2.362 -11.188 -8.129 1.00 2.22 C ATOM 974 O CYS A 65 2.726 -12.312 -8.474 1.00 12.33 O ATOM 975 CB CYS A 65 0.379 -10.300 -9.368 1.00 54.43 C ATOM 976 SG CYS A 65 -0.070 -11.582 -10.562 1.00 13.54 S ATOM 0 H CYS A 65 0.108 -9.051 -7.259 1.00 50.33 H new ATOM 0 HA CYS A 65 0.330 -11.750 -7.784 1.00 74.31 H new ATOM 0 HB2 CYS A 65 -0.489 -9.665 -9.189 1.00 54.43 H new ATOM 0 HB3 CYS A 65 1.152 -9.667 -9.804 1.00 54.43 H new ATOM 0 HG CYS A 65 -0.483 -11.025 -11.662 1.00 13.54 H new ATOM 982 N ASP A 66 3.213 -10.215 -7.825 1.00 3.51 N ATOM 983 CA ASP A 66 4.657 -10.414 -7.882 1.00 62.42 C ATOM 984 C ASP A 66 5.115 -11.374 -6.788 1.00 73.01 C ATOM 985 O ASP A 66 5.815 -12.351 -7.056 1.00 15.52 O ATOM 986 CB ASP A 66 5.384 -9.077 -7.742 1.00 53.30 C ATOM 987 CG ASP A 66 4.911 -8.052 -8.752 1.00 12.15 C ATOM 988 OD1 ASP A 66 4.583 -8.447 -9.891 1.00 74.13 O ATOM 989 OD2 ASP A 66 4.868 -6.852 -8.405 1.00 34.44 O ATOM 0 H ASP A 66 2.928 -9.279 -7.536 1.00 3.51 H new ATOM 0 HA ASP A 66 4.902 -10.851 -8.850 1.00 62.42 H new ATOM 0 HB2 ASP A 66 5.232 -8.688 -6.735 1.00 53.30 H new ATOM 0 HB3 ASP A 66 6.456 -9.235 -7.864 1.00 53.30 H new ATOM 994 N LEU A 67 4.716 -11.090 -5.553 1.00 62.14 N ATOM 995 CA LEU A 67 5.086 -11.927 -4.417 1.00 0.11 C ATOM 996 C LEU A 67 4.512 -13.332 -4.566 1.00 24.14 C ATOM 997 O LEU A 67 5.204 -14.322 -4.338 1.00 34.20 O ATOM 998 CB LEU A 67 4.593 -11.297 -3.113 1.00 61.24 C ATOM 999 CG LEU A 67 4.987 -9.838 -2.881 1.00 11.01 C ATOM 1000 CD1 LEU A 67 4.105 -9.211 -1.813 1.00 64.31 C ATOM 1001 CD2 LEU A 67 6.454 -9.737 -2.491 1.00 55.21 C ATOM 0 H LEU A 67 4.136 -10.286 -5.313 1.00 62.14 H new ATOM 0 HA LEU A 67 6.173 -12.000 -4.390 1.00 0.11 H new ATOM 0 HB2 LEU A 67 3.506 -11.367 -3.088 1.00 61.24 H new ATOM 0 HB3 LEU A 67 4.970 -11.891 -2.281 1.00 61.24 H new ATOM 0 HG LEU A 67 4.841 -9.290 -3.812 1.00 11.01 H new ATOM 0 HD11 LEU A 67 4.400 -8.173 -1.661 1.00 64.31 H new ATOM 0 HD12 LEU A 67 3.064 -9.250 -2.132 1.00 64.31 H new ATOM 0 HD13 LEU A 67 4.218 -9.761 -0.879 1.00 64.31 H new ATOM 0 HD21 LEU A 67 6.717 -8.691 -2.330 1.00 55.21 H new ATOM 0 HD22 LEU A 67 6.626 -10.300 -1.574 1.00 55.21 H new ATOM 0 HD23 LEU A 67 7.072 -10.147 -3.290 1.00 55.21 H new ATOM 1013 N GLN A 68 3.242 -13.409 -4.951 1.00 23.23 N ATOM 1014 CA GLN A 68 2.576 -14.693 -5.132 1.00 23.24 C ATOM 1015 C GLN A 68 3.326 -15.559 -6.139 1.00 22.00 C ATOM 1016 O GLN A 68 3.519 -16.754 -5.920 1.00 30.22 O ATOM 1017 CB GLN A 68 1.134 -14.482 -5.597 1.00 33.55 C ATOM 1018 CG GLN A 68 0.157 -15.501 -5.033 1.00 43.03 C ATOM 1019 CD GLN A 68 -0.619 -16.227 -6.114 1.00 62.44 C ATOM 1020 OE1 GLN A 68 -0.141 -17.208 -6.685 1.00 52.11 O ATOM 1021 NE2 GLN A 68 -1.824 -15.750 -6.401 1.00 64.24 N ATOM 0 H GLN A 68 2.654 -12.598 -5.143 1.00 23.23 H new ATOM 0 HA GLN A 68 2.569 -15.209 -4.172 1.00 23.24 H new ATOM 0 HB2 GLN A 68 0.810 -13.482 -5.308 1.00 33.55 H new ATOM 0 HB3 GLN A 68 1.102 -14.525 -6.686 1.00 33.55 H new ATOM 0 HG2 GLN A 68 0.703 -16.228 -4.433 1.00 43.03 H new ATOM 0 HG3 GLN A 68 -0.542 -14.997 -4.365 1.00 43.03 H new ATOM 0 HE21 GLN A 68 -2.182 -14.935 -5.903 1.00 64.24 H new ATOM 0 HE22 GLN A 68 -2.392 -16.199 -7.119 1.00 64.24 H new ATOM 1030 N GLU A 69 3.745 -14.947 -7.241 1.00 2.14 N ATOM 1031 CA GLU A 69 4.474 -15.664 -8.282 1.00 5.31 C ATOM 1032 C GLU A 69 5.763 -16.263 -7.729 1.00 72.12 C ATOM 1033 O GLU A 69 6.034 -17.451 -7.909 1.00 12.12 O ATOM 1034 CB GLU A 69 4.794 -14.726 -9.449 1.00 71.52 C ATOM 1035 CG GLU A 69 3.674 -14.623 -10.472 1.00 61.15 C ATOM 1036 CD GLU A 69 3.798 -13.392 -11.350 1.00 61.34 C ATOM 1037 OE1 GLU A 69 4.668 -12.544 -11.061 1.00 64.10 O ATOM 1038 OE2 GLU A 69 3.026 -13.279 -12.324 1.00 14.33 O ATOM 0 H GLU A 69 3.593 -13.958 -7.437 1.00 2.14 H new ATOM 0 HA GLU A 69 3.841 -16.476 -8.640 1.00 5.31 H new ATOM 0 HB2 GLU A 69 5.009 -13.732 -9.057 1.00 71.52 H new ATOM 0 HB3 GLU A 69 5.699 -15.075 -9.947 1.00 71.52 H new ATOM 0 HG2 GLU A 69 3.677 -15.514 -11.100 1.00 61.15 H new ATOM 0 HG3 GLU A 69 2.715 -14.601 -9.954 1.00 61.15 H new ATOM 1045 N ARG A 70 6.553 -15.434 -7.056 1.00 54.13 N ATOM 1046 CA ARG A 70 7.815 -15.882 -6.479 1.00 43.14 C ATOM 1047 C ARG A 70 7.574 -16.919 -5.386 1.00 53.42 C ATOM 1048 O ARG A 70 8.348 -17.864 -5.233 1.00 11.10 O ATOM 1049 CB ARG A 70 8.588 -14.692 -5.906 1.00 50.51 C ATOM 1050 CG ARG A 70 9.591 -14.092 -6.880 1.00 63.22 C ATOM 1051 CD ARG A 70 10.653 -13.281 -6.155 1.00 0.31 C ATOM 1052 NE ARG A 70 11.819 -14.090 -5.809 1.00 22.31 N ATOM 1053 CZ ARG A 70 12.703 -14.523 -6.701 1.00 74.14 C ATOM 1054 NH1 ARG A 70 12.556 -14.227 -7.984 1.00 65.02 N ATOM 1055 NH2 ARG A 70 13.738 -15.256 -6.308 1.00 41.13 N ATOM 0 H ARG A 70 6.342 -14.449 -6.897 1.00 54.13 H new ATOM 0 HA ARG A 70 8.405 -16.343 -7.271 1.00 43.14 H new ATOM 0 HB2 ARG A 70 7.880 -13.920 -5.605 1.00 50.51 H new ATOM 0 HB3 ARG A 70 9.114 -15.010 -5.006 1.00 50.51 H new ATOM 0 HG2 ARG A 70 10.067 -14.889 -7.451 1.00 63.22 H new ATOM 0 HG3 ARG A 70 9.070 -13.455 -7.595 1.00 63.22 H new ATOM 0 HD2 ARG A 70 10.964 -12.447 -6.784 1.00 0.31 H new ATOM 0 HD3 ARG A 70 10.226 -12.854 -5.248 1.00 0.31 H new ATOM 0 HE ARG A 70 11.962 -14.336 -4.829 1.00 22.31 H new ATOM 0 HH11 ARG A 70 11.762 -13.665 -8.290 1.00 65.02 H new ATOM 0 HH12 ARG A 70 13.237 -14.561 -8.666 1.00 65.02 H new ATOM 0 HH21 ARG A 70 13.854 -15.487 -5.321 1.00 41.13 H new ATOM 0 HH22 ARG A 70 14.417 -15.589 -6.993 1.00 41.13 H new ATOM 1069 N ARG A 71 6.498 -16.734 -4.629 1.00 55.14 N ATOM 1070 CA ARG A 71 6.157 -17.654 -3.549 1.00 2.32 C ATOM 1071 C ARG A 71 5.929 -19.063 -4.086 1.00 31.33 C ATOM 1072 O ARG A 71 6.508 -20.028 -3.589 1.00 14.14 O ATOM 1073 CB ARG A 71 4.907 -17.168 -2.813 1.00 13.14 C ATOM 1074 CG ARG A 71 4.629 -17.919 -1.521 1.00 34.24 C ATOM 1075 CD ARG A 71 3.463 -17.308 -0.761 1.00 72.12 C ATOM 1076 NE ARG A 71 2.566 -18.328 -0.224 1.00 41.23 N ATOM 1077 CZ ARG A 71 1.695 -19.004 -0.963 1.00 0.35 C ATOM 1078 NH1 ARG A 71 1.604 -18.771 -2.266 1.00 54.23 N ATOM 1079 NH2 ARG A 71 0.912 -19.916 -0.402 1.00 41.15 N ATOM 0 H ARG A 71 5.847 -15.957 -4.743 1.00 55.14 H new ATOM 0 HA ARG A 71 6.994 -17.682 -2.851 1.00 2.32 H new ATOM 0 HB2 ARG A 71 5.017 -16.107 -2.590 1.00 13.14 H new ATOM 0 HB3 ARG A 71 4.045 -17.267 -3.473 1.00 13.14 H new ATOM 0 HG2 ARG A 71 4.411 -18.963 -1.746 1.00 34.24 H new ATOM 0 HG3 ARG A 71 5.520 -17.907 -0.893 1.00 34.24 H new ATOM 0 HD2 ARG A 71 3.844 -16.694 0.055 1.00 72.12 H new ATOM 0 HD3 ARG A 71 2.905 -16.647 -1.424 1.00 72.12 H new ATOM 0 HE ARG A 71 2.611 -18.532 0.774 1.00 41.23 H new ATOM 0 HH11 ARG A 71 2.204 -18.071 -2.702 1.00 54.23 H new ATOM 0 HH12 ARG A 71 0.934 -19.292 -2.832 1.00 54.23 H new ATOM 0 HH21 ARG A 71 0.979 -20.099 0.599 1.00 41.15 H new ATOM 0 HH22 ARG A 71 0.243 -20.434 -0.972 1.00 41.15 H new ATOM 1093 N GLU A 72 5.081 -19.173 -5.104 1.00 15.34 N ATOM 1094 CA GLU A 72 4.776 -20.465 -5.708 1.00 52.22 C ATOM 1095 C GLU A 72 6.044 -21.133 -6.230 1.00 34.43 C ATOM 1096 O GLU A 72 6.303 -22.305 -5.952 1.00 2.02 O ATOM 1097 CB GLU A 72 3.769 -20.296 -6.847 1.00 44.14 C ATOM 1098 CG GLU A 72 2.464 -21.043 -6.622 1.00 41.43 C ATOM 1099 CD GLU A 72 2.346 -22.284 -7.485 1.00 2.02 C ATOM 1100 OE1 GLU A 72 2.780 -22.235 -8.655 1.00 3.32 O ATOM 1101 OE2 GLU A 72 1.821 -23.303 -6.992 1.00 64.03 O ATOM 0 H GLU A 72 4.593 -18.384 -5.528 1.00 15.34 H new ATOM 0 HA GLU A 72 4.339 -21.103 -4.940 1.00 52.22 H new ATOM 0 HB2 GLU A 72 3.553 -19.235 -6.976 1.00 44.14 H new ATOM 0 HB3 GLU A 72 4.222 -20.644 -7.776 1.00 44.14 H new ATOM 0 HG2 GLU A 72 2.388 -21.327 -5.572 1.00 41.43 H new ATOM 0 HG3 GLU A 72 1.627 -20.377 -6.833 1.00 41.43 H new ATOM 1108 N LYS A 73 6.832 -20.382 -6.992 1.00 61.24 N ATOM 1109 CA LYS A 73 8.074 -20.900 -7.554 1.00 3.14 C ATOM 1110 C LYS A 73 8.961 -21.489 -6.463 1.00 32.10 C ATOM 1111 O LYS A 73 9.640 -22.494 -6.677 1.00 42.25 O ATOM 1112 CB LYS A 73 8.824 -19.789 -8.293 1.00 41.43 C ATOM 1113 CG LYS A 73 8.856 -19.974 -9.800 1.00 22.22 C ATOM 1114 CD LYS A 73 10.224 -19.647 -10.375 1.00 45.01 C ATOM 1115 CE LYS A 73 11.166 -20.837 -10.283 1.00 42.22 C ATOM 1116 NZ LYS A 73 12.594 -20.420 -10.357 1.00 23.31 N ATOM 0 H LYS A 73 6.632 -19.412 -7.235 1.00 61.24 H new ATOM 0 HA LYS A 73 7.823 -21.692 -8.259 1.00 3.14 H new ATOM 0 HB2 LYS A 73 8.357 -18.832 -8.063 1.00 41.43 H new ATOM 0 HB3 LYS A 73 9.847 -19.742 -7.919 1.00 41.43 H new ATOM 0 HG2 LYS A 73 8.594 -21.003 -10.046 1.00 22.22 H new ATOM 0 HG3 LYS A 73 8.104 -19.334 -10.262 1.00 22.22 H new ATOM 0 HD2 LYS A 73 10.119 -19.344 -11.417 1.00 45.01 H new ATOM 0 HD3 LYS A 73 10.652 -18.800 -9.839 1.00 45.01 H new ATOM 0 HE2 LYS A 73 10.991 -21.368 -9.347 1.00 42.22 H new ATOM 0 HE3 LYS A 73 10.949 -21.535 -11.091 1.00 42.22 H new ATOM 0 HZ1 LYS A 73 13.205 -21.259 -10.291 1.00 23.31 H new ATOM 0 HZ2 LYS A 73 12.768 -19.936 -11.261 1.00 23.31 H new ATOM 0 HZ3 LYS A 73 12.808 -19.773 -9.571 1.00 23.31 H new ATOM 1130 N PHE A 74 8.950 -20.859 -5.293 1.00 35.32 N ATOM 1131 CA PHE A 74 9.754 -21.323 -4.168 1.00 41.10 C ATOM 1132 C PHE A 74 9.059 -22.469 -3.438 1.00 2.14 C ATOM 1133 O PHE A 74 9.709 -23.304 -2.811 1.00 62.41 O ATOM 1134 CB PHE A 74 10.020 -20.172 -3.195 1.00 13.35 C ATOM 1135 CG PHE A 74 11.480 -19.935 -2.934 1.00 43.33 C ATOM 1136 CD1 PHE A 74 12.066 -20.373 -1.757 1.00 60.01 C ATOM 1137 CD2 PHE A 74 12.267 -19.274 -3.863 1.00 3.45 C ATOM 1138 CE1 PHE A 74 13.410 -20.157 -1.512 1.00 63.21 C ATOM 1139 CE2 PHE A 74 13.610 -19.055 -3.624 1.00 14.33 C ATOM 1140 CZ PHE A 74 14.182 -19.497 -2.447 1.00 44.33 C ATOM 0 H PHE A 74 8.394 -20.026 -5.099 1.00 35.32 H new ATOM 0 HA PHE A 74 10.704 -21.687 -4.559 1.00 41.10 H new ATOM 0 HB2 PHE A 74 9.577 -19.259 -3.594 1.00 13.35 H new ATOM 0 HB3 PHE A 74 9.519 -20.382 -2.250 1.00 13.35 H new ATOM 0 HD1 PHE A 74 11.466 -20.889 -1.022 1.00 60.01 H new ATOM 0 HD2 PHE A 74 11.825 -18.926 -4.785 1.00 3.45 H new ATOM 0 HE1 PHE A 74 13.855 -20.504 -0.591 1.00 63.21 H new ATOM 0 HE2 PHE A 74 14.212 -18.539 -4.357 1.00 14.33 H new ATOM 0 HZ PHE A 74 15.232 -19.327 -2.258 1.00 44.33 H new ATOM 1150 N GLY A 75 7.733 -22.500 -3.525 1.00 25.14 N ATOM 1151 CA GLY A 75 6.971 -23.546 -2.868 1.00 24.24 C ATOM 1152 C GLY A 75 6.290 -23.061 -1.603 1.00 15.03 C ATOM 1153 O GLY A 75 6.561 -23.563 -0.513 1.00 31.05 O ATOM 0 H GLY A 75 7.173 -21.820 -4.039 1.00 25.14 H new ATOM 0 HA2 GLY A 75 6.219 -23.931 -3.557 1.00 24.24 H new ATOM 0 HA3 GLY A 75 7.634 -24.376 -2.624 1.00 24.24 H new ATOM 1157 N SER A 76 5.405 -22.080 -1.749 1.00 1.42 N ATOM 1158 CA SER A 76 4.687 -21.522 -0.609 1.00 70.15 C ATOM 1159 C SER A 76 5.657 -20.897 0.390 1.00 4.41 C ATOM 1160 O SER A 76 6.869 -21.090 0.299 1.00 41.11 O ATOM 1161 CB SER A 76 3.859 -22.608 0.081 1.00 35.21 C ATOM 1162 OG SER A 76 2.863 -22.040 0.912 1.00 71.44 O ATOM 0 H SER A 76 5.168 -21.655 -2.646 1.00 1.42 H new ATOM 0 HA SER A 76 4.019 -20.744 -0.978 1.00 70.15 H new ATOM 0 HB2 SER A 76 3.391 -23.244 -0.670 1.00 35.21 H new ATOM 0 HB3 SER A 76 4.513 -23.245 0.676 1.00 35.21 H new ATOM 0 HG SER A 76 2.347 -22.755 1.340 1.00 71.44 H new ATOM 1168 N SER A 77 5.113 -20.145 1.342 1.00 20.10 N ATOM 1169 CA SER A 77 5.928 -19.487 2.355 1.00 42.00 C ATOM 1170 C SER A 77 5.055 -18.706 3.332 1.00 24.32 C ATOM 1171 O SER A 77 4.074 -18.073 2.938 1.00 71.13 O ATOM 1172 CB SER A 77 6.939 -18.547 1.695 1.00 54.11 C ATOM 1173 OG SER A 77 7.460 -17.619 2.631 1.00 23.21 O ATOM 0 H SER A 77 4.111 -19.977 1.432 1.00 20.10 H new ATOM 0 HA SER A 77 6.465 -20.257 2.909 1.00 42.00 H new ATOM 0 HB2 SER A 77 7.753 -19.129 1.264 1.00 54.11 H new ATOM 0 HB3 SER A 77 6.461 -18.011 0.875 1.00 54.11 H new ATOM 0 HG SER A 77 8.419 -17.498 2.472 1.00 23.21 H new ATOM 1179 N LYS A 78 5.418 -18.754 4.610 1.00 23.44 N ATOM 1180 CA LYS A 78 4.670 -18.051 5.645 1.00 23.11 C ATOM 1181 C LYS A 78 4.955 -16.554 5.601 1.00 4.43 C ATOM 1182 O LYS A 78 4.033 -15.738 5.562 1.00 74.24 O ATOM 1183 CB LYS A 78 5.024 -18.607 7.026 1.00 72.44 C ATOM 1184 CG LYS A 78 3.816 -19.054 7.831 1.00 23.03 C ATOM 1185 CD LYS A 78 4.091 -19.005 9.324 1.00 54.33 C ATOM 1186 CE LYS A 78 4.159 -17.573 9.832 1.00 11.23 C ATOM 1187 NZ LYS A 78 2.844 -17.104 10.349 1.00 31.12 N ATOM 0 H LYS A 78 6.226 -19.273 4.953 1.00 23.44 H new ATOM 0 HA LYS A 78 3.607 -18.207 5.458 1.00 23.11 H new ATOM 0 HB2 LYS A 78 5.702 -19.452 6.905 1.00 72.44 H new ATOM 0 HB3 LYS A 78 5.562 -17.844 7.588 1.00 72.44 H new ATOM 0 HG2 LYS A 78 2.965 -18.415 7.596 1.00 23.03 H new ATOM 0 HG3 LYS A 78 3.542 -20.069 7.544 1.00 23.03 H new ATOM 0 HD2 LYS A 78 3.308 -19.544 9.857 1.00 54.33 H new ATOM 0 HD3 LYS A 78 5.031 -19.513 9.539 1.00 54.33 H new ATOM 0 HE2 LYS A 78 4.906 -17.504 10.623 1.00 11.23 H new ATOM 0 HE3 LYS A 78 4.487 -16.917 9.026 1.00 11.23 H new ATOM 0 HZ1 LYS A 78 2.933 -16.124 10.686 1.00 31.12 H new ATOM 0 HZ2 LYS A 78 2.137 -17.146 9.588 1.00 31.12 H new ATOM 0 HZ3 LYS A 78 2.543 -17.714 11.135 1.00 31.12 H new ATOM 1201 N GLU A 79 6.236 -16.199 5.605 1.00 3.33 N ATOM 1202 CA GLU A 79 6.640 -14.799 5.564 1.00 11.45 C ATOM 1203 C GLU A 79 6.086 -14.108 4.320 1.00 64.13 C ATOM 1204 O GLU A 79 5.559 -12.998 4.397 1.00 41.13 O ATOM 1205 CB GLU A 79 8.166 -14.685 5.587 1.00 2.44 C ATOM 1206 CG GLU A 79 8.727 -14.300 6.945 1.00 51.42 C ATOM 1207 CD GLU A 79 8.887 -15.492 7.868 1.00 3.20 C ATOM 1208 OE1 GLU A 79 9.955 -15.609 8.506 1.00 62.12 O ATOM 1209 OE2 GLU A 79 7.946 -16.308 7.954 1.00 3.11 O ATOM 0 H GLU A 79 7.011 -16.861 5.636 1.00 3.33 H new ATOM 0 HA GLU A 79 6.232 -14.304 6.445 1.00 11.45 H new ATOM 0 HB2 GLU A 79 8.598 -15.638 5.282 1.00 2.44 H new ATOM 0 HB3 GLU A 79 8.478 -13.944 4.851 1.00 2.44 H new ATOM 0 HG2 GLU A 79 9.695 -13.817 6.811 1.00 51.42 H new ATOM 0 HG3 GLU A 79 8.068 -13.569 7.413 1.00 51.42 H new ATOM 1216 N ILE A 80 6.211 -14.772 3.177 1.00 33.32 N ATOM 1217 CA ILE A 80 5.722 -14.223 1.918 1.00 71.42 C ATOM 1218 C ILE A 80 4.210 -14.035 1.951 1.00 1.24 C ATOM 1219 O ILE A 80 3.705 -12.940 1.700 1.00 33.24 O ATOM 1220 CB ILE A 80 6.089 -15.131 0.729 1.00 13.24 C ATOM 1221 CG1 ILE A 80 7.606 -15.315 0.647 1.00 44.24 C ATOM 1222 CG2 ILE A 80 5.552 -14.546 -0.569 1.00 31.54 C ATOM 1223 CD1 ILE A 80 8.036 -16.354 -0.364 1.00 1.50 C ATOM 0 H ILE A 80 6.647 -15.691 3.096 1.00 33.32 H new ATOM 0 HA ILE A 80 6.203 -13.254 1.788 1.00 71.42 H new ATOM 0 HB ILE A 80 5.631 -16.108 0.883 1.00 13.24 H new ATOM 0 HG12 ILE A 80 8.066 -14.360 0.392 1.00 44.24 H new ATOM 0 HG13 ILE A 80 7.983 -15.599 1.630 1.00 44.24 H new ATOM 0 HG21 ILE A 80 5.819 -15.199 -1.400 1.00 31.54 H new ATOM 0 HG22 ILE A 80 4.467 -14.461 -0.508 1.00 31.54 H new ATOM 0 HG23 ILE A 80 5.985 -13.558 -0.729 1.00 31.54 H new ATOM 0 HD11 ILE A 80 9.123 -16.430 -0.367 1.00 1.50 H new ATOM 0 HD12 ILE A 80 7.605 -17.320 -0.099 1.00 1.50 H new ATOM 0 HD13 ILE A 80 7.690 -16.062 -1.355 1.00 1.50 H new ATOM 1235 N ASP A 81 3.491 -15.107 2.263 1.00 74.04 N ATOM 1236 CA ASP A 81 2.036 -15.059 2.332 1.00 63.23 C ATOM 1237 C ASP A 81 1.571 -13.914 3.225 1.00 44.20 C ATOM 1238 O ASP A 81 0.515 -13.324 2.998 1.00 30.13 O ATOM 1239 CB ASP A 81 1.485 -16.386 2.856 1.00 71.41 C ATOM 1240 CG ASP A 81 -0.025 -16.374 2.993 1.00 4.25 C ATOM 1241 OD1 ASP A 81 -0.518 -16.256 4.134 1.00 62.13 O ATOM 1242 OD2 ASP A 81 -0.715 -16.479 1.957 1.00 13.33 O ATOM 0 H ASP A 81 3.893 -16.021 2.472 1.00 74.04 H new ATOM 0 HA ASP A 81 1.655 -14.888 1.325 1.00 63.23 H new ATOM 0 HB2 ASP A 81 1.779 -17.190 2.181 1.00 71.41 H new ATOM 0 HB3 ASP A 81 1.933 -16.604 3.825 1.00 71.41 H new ATOM 1247 N MET A 82 2.367 -13.604 4.243 1.00 52.45 N ATOM 1248 CA MET A 82 2.038 -12.528 5.172 1.00 25.24 C ATOM 1249 C MET A 82 2.104 -11.171 4.476 1.00 73.43 C ATOM 1250 O MET A 82 1.121 -10.432 4.443 1.00 22.51 O ATOM 1251 CB MET A 82 2.990 -12.548 6.369 1.00 3.42 C ATOM 1252 CG MET A 82 2.324 -12.163 7.680 1.00 54.23 C ATOM 1253 SD MET A 82 3.300 -12.642 9.120 1.00 5.50 S ATOM 1254 CE MET A 82 2.626 -11.546 10.366 1.00 1.24 C ATOM 0 H MET A 82 3.245 -14.082 4.446 1.00 52.45 H new ATOM 0 HA MET A 82 1.019 -12.686 5.526 1.00 25.24 H new ATOM 0 HB2 MET A 82 3.417 -13.546 6.467 1.00 3.42 H new ATOM 0 HB3 MET A 82 3.817 -11.865 6.177 1.00 3.42 H new ATOM 0 HG2 MET A 82 2.161 -11.085 7.698 1.00 54.23 H new ATOM 0 HG3 MET A 82 1.343 -12.635 7.737 1.00 54.23 H new ATOM 0 HE1 MET A 82 3.130 -11.722 11.316 1.00 1.24 H new ATOM 0 HE2 MET A 82 2.779 -10.511 10.061 1.00 1.24 H new ATOM 0 HE3 MET A 82 1.559 -11.737 10.480 1.00 1.24 H new ATOM 1264 N ALA A 83 3.269 -10.851 3.924 1.00 51.12 N ATOM 1265 CA ALA A 83 3.463 -9.584 3.229 1.00 72.01 C ATOM 1266 C ALA A 83 2.374 -9.359 2.185 1.00 60.13 C ATOM 1267 O ALA A 83 1.997 -8.221 1.905 1.00 32.02 O ATOM 1268 CB ALA A 83 4.838 -9.544 2.577 1.00 72.23 C ATOM 0 H ALA A 83 4.093 -11.451 3.944 1.00 51.12 H new ATOM 0 HA ALA A 83 3.398 -8.781 3.964 1.00 72.01 H new ATOM 0 HB1 ALA A 83 4.969 -8.592 2.062 1.00 72.23 H new ATOM 0 HB2 ALA A 83 5.607 -9.651 3.342 1.00 72.23 H new ATOM 0 HB3 ALA A 83 4.924 -10.360 1.859 1.00 72.23 H new ATOM 1274 N ILE A 84 1.874 -10.449 1.615 1.00 21.34 N ATOM 1275 CA ILE A 84 0.828 -10.370 0.602 1.00 51.42 C ATOM 1276 C ILE A 84 -0.488 -9.892 1.208 1.00 12.32 C ATOM 1277 O ILE A 84 -1.023 -8.856 0.816 1.00 4.23 O ATOM 1278 CB ILE A 84 0.602 -11.731 -0.082 1.00 63.12 C ATOM 1279 CG1 ILE A 84 1.892 -12.213 -0.748 1.00 5.34 C ATOM 1280 CG2 ILE A 84 -0.523 -11.630 -1.102 1.00 61.20 C ATOM 1281 CD1 ILE A 84 1.938 -13.709 -0.964 1.00 13.13 C ATOM 0 H ILE A 84 2.176 -11.398 1.837 1.00 21.34 H new ATOM 0 HA ILE A 84 1.164 -9.650 -0.144 1.00 51.42 H new ATOM 0 HB ILE A 84 0.314 -12.459 0.676 1.00 63.12 H new ATOM 0 HG12 ILE A 84 2.004 -11.712 -1.709 1.00 5.34 H new ATOM 0 HG13 ILE A 84 2.742 -11.917 -0.133 1.00 5.34 H new ATOM 0 HG21 ILE A 84 -0.671 -12.600 -1.577 1.00 61.20 H new ATOM 0 HG22 ILE A 84 -1.442 -11.327 -0.601 1.00 61.20 H new ATOM 0 HG23 ILE A 84 -0.262 -10.891 -1.859 1.00 61.20 H new ATOM 0 HD11 ILE A 84 2.881 -13.979 -1.440 1.00 13.13 H new ATOM 0 HD12 ILE A 84 1.858 -14.218 -0.003 1.00 13.13 H new ATOM 0 HD13 ILE A 84 1.109 -14.010 -1.604 1.00 13.13 H new ATOM 1293 N VAL A 85 -1.002 -10.654 2.168 1.00 35.34 N ATOM 1294 CA VAL A 85 -2.254 -10.308 2.830 1.00 3.25 C ATOM 1295 C VAL A 85 -2.171 -8.929 3.474 1.00 44.50 C ATOM 1296 O VAL A 85 -3.189 -8.272 3.695 1.00 1.54 O ATOM 1297 CB VAL A 85 -2.625 -11.344 3.906 1.00 50.04 C ATOM 1298 CG1 VAL A 85 -2.833 -12.714 3.279 1.00 65.13 C ATOM 1299 CG2 VAL A 85 -1.552 -11.400 4.984 1.00 4.40 C ATOM 0 H VAL A 85 -0.571 -11.515 2.505 1.00 35.34 H new ATOM 0 HA VAL A 85 -3.027 -10.301 2.062 1.00 3.25 H new ATOM 0 HB VAL A 85 -3.561 -11.038 4.372 1.00 50.04 H new ATOM 0 HG11 VAL A 85 -3.095 -13.433 4.055 1.00 65.13 H new ATOM 0 HG12 VAL A 85 -3.639 -12.661 2.547 1.00 65.13 H new ATOM 0 HG13 VAL A 85 -1.915 -13.031 2.785 1.00 65.13 H new ATOM 0 HG21 VAL A 85 -1.831 -12.138 5.737 1.00 4.40 H new ATOM 0 HG22 VAL A 85 -0.600 -11.682 4.535 1.00 4.40 H new ATOM 0 HG23 VAL A 85 -1.456 -10.421 5.453 1.00 4.40 H new ATOM 1309 N THR A 86 -0.951 -8.494 3.775 1.00 41.51 N ATOM 1310 CA THR A 86 -0.734 -7.193 4.395 1.00 63.12 C ATOM 1311 C THR A 86 -0.990 -6.062 3.406 1.00 33.41 C ATOM 1312 O THR A 86 -1.737 -5.127 3.695 1.00 53.23 O ATOM 1313 CB THR A 86 0.699 -7.065 4.945 1.00 41.01 C ATOM 1314 OG1 THR A 86 1.014 -8.199 5.761 1.00 42.32 O ATOM 1315 CG2 THR A 86 0.854 -5.788 5.758 1.00 75.11 C ATOM 0 H THR A 86 -0.098 -9.025 3.599 1.00 41.51 H new ATOM 0 HA THR A 86 -1.441 -7.115 5.221 1.00 63.12 H new ATOM 0 HB THR A 86 1.387 -7.025 4.101 1.00 41.01 H new ATOM 0 HG1 THR A 86 1.256 -8.957 5.189 1.00 42.32 H new ATOM 0 HG21 THR A 86 1.874 -5.719 6.136 1.00 75.11 H new ATOM 0 HG22 THR A 86 0.643 -4.926 5.125 1.00 75.11 H new ATOM 0 HG23 THR A 86 0.157 -5.803 6.596 1.00 75.11 H new ATOM 1323 N LEU A 87 -0.366 -6.154 2.236 1.00 61.14 N ATOM 1324 CA LEU A 87 -0.527 -5.139 1.201 1.00 42.11 C ATOM 1325 C LEU A 87 -1.957 -5.124 0.670 1.00 43.54 C ATOM 1326 O LEU A 87 -2.433 -4.106 0.166 1.00 45.22 O ATOM 1327 CB LEU A 87 0.452 -5.391 0.054 1.00 14.13 C ATOM 1328 CG LEU A 87 1.915 -5.039 0.329 1.00 60.15 C ATOM 1329 CD1 LEU A 87 2.834 -5.809 -0.605 1.00 53.11 C ATOM 1330 CD2 LEU A 87 2.139 -3.541 0.188 1.00 33.22 C ATOM 0 H LEU A 87 0.256 -6.921 1.981 1.00 61.14 H new ATOM 0 HA LEU A 87 -0.314 -4.167 1.645 1.00 42.11 H new ATOM 0 HB2 LEU A 87 0.398 -6.445 -0.218 1.00 14.13 H new ATOM 0 HB3 LEU A 87 0.119 -4.821 -0.813 1.00 14.13 H new ATOM 0 HG LEU A 87 2.151 -5.326 1.354 1.00 60.15 H new ATOM 0 HD11 LEU A 87 3.870 -5.545 -0.394 1.00 53.11 H new ATOM 0 HD12 LEU A 87 2.694 -6.879 -0.453 1.00 53.11 H new ATOM 0 HD13 LEU A 87 2.598 -5.555 -1.638 1.00 53.11 H new ATOM 0 HD21 LEU A 87 3.185 -3.309 0.387 1.00 33.22 H new ATOM 0 HD22 LEU A 87 1.885 -3.229 -0.825 1.00 33.22 H new ATOM 0 HD23 LEU A 87 1.508 -3.010 0.901 1.00 33.22 H new ATOM 1342 N LYS A 88 -2.639 -6.258 0.789 1.00 40.32 N ATOM 1343 CA LYS A 88 -4.015 -6.375 0.325 1.00 62.40 C ATOM 1344 C LYS A 88 -4.962 -5.584 1.223 1.00 73.33 C ATOM 1345 O LYS A 88 -5.611 -4.638 0.777 1.00 51.13 O ATOM 1346 CB LYS A 88 -4.439 -7.846 0.289 1.00 5.34 C ATOM 1347 CG LYS A 88 -4.634 -8.388 -1.116 1.00 31.34 C ATOM 1348 CD LYS A 88 -3.990 -9.754 -1.281 1.00 32.40 C ATOM 1349 CE LYS A 88 -4.469 -10.447 -2.548 1.00 12.30 C ATOM 1350 NZ LYS A 88 -3.745 -11.726 -2.787 1.00 63.40 N ATOM 0 H LYS A 88 -2.260 -7.110 1.203 1.00 40.32 H new ATOM 0 HA LYS A 88 -4.069 -5.962 -0.682 1.00 62.40 H new ATOM 0 HB2 LYS A 88 -3.685 -8.445 0.799 1.00 5.34 H new ATOM 0 HB3 LYS A 88 -5.369 -7.961 0.846 1.00 5.34 H new ATOM 0 HG2 LYS A 88 -5.699 -8.458 -1.335 1.00 31.34 H new ATOM 0 HG3 LYS A 88 -4.205 -7.693 -1.838 1.00 31.34 H new ATOM 0 HD2 LYS A 88 -2.906 -9.645 -1.312 1.00 32.40 H new ATOM 0 HD3 LYS A 88 -4.223 -10.374 -0.415 1.00 32.40 H new ATOM 0 HE2 LYS A 88 -5.538 -10.644 -2.473 1.00 12.30 H new ATOM 0 HE3 LYS A 88 -4.326 -9.784 -3.401 1.00 12.30 H new ATOM 0 HZ1 LYS A 88 -3.307 -11.706 -3.730 1.00 63.40 H new ATOM 0 HZ2 LYS A 88 -3.007 -11.847 -2.064 1.00 63.40 H new ATOM 0 HZ3 LYS A 88 -4.415 -12.519 -2.734 1.00 63.40 H new ATOM 1364 N VAL A 89 -5.034 -5.978 2.491 1.00 44.24 N ATOM 1365 CA VAL A 89 -5.900 -5.305 3.453 1.00 0.43 C ATOM 1366 C VAL A 89 -5.644 -3.802 3.462 1.00 1.43 C ATOM 1367 O VAL A 89 -6.578 -3.002 3.545 1.00 14.12 O ATOM 1368 CB VAL A 89 -5.696 -5.858 4.875 1.00 11.12 C ATOM 1369 CG1 VAL A 89 -4.230 -5.780 5.274 1.00 53.44 C ATOM 1370 CG2 VAL A 89 -6.567 -5.106 5.869 1.00 64.41 C ATOM 0 H VAL A 89 -4.503 -6.759 2.876 1.00 44.24 H new ATOM 0 HA VAL A 89 -6.927 -5.495 3.142 1.00 0.43 H new ATOM 0 HB VAL A 89 -5.995 -6.906 4.884 1.00 11.12 H new ATOM 0 HG11 VAL A 89 -4.106 -6.175 6.282 1.00 53.44 H new ATOM 0 HG12 VAL A 89 -3.632 -6.367 4.578 1.00 53.44 H new ATOM 0 HG13 VAL A 89 -3.901 -4.741 5.249 1.00 53.44 H new ATOM 0 HG21 VAL A 89 -6.410 -5.510 6.869 1.00 64.41 H new ATOM 0 HG22 VAL A 89 -6.301 -4.049 5.859 1.00 64.41 H new ATOM 0 HG23 VAL A 89 -7.615 -5.219 5.593 1.00 64.41 H new ATOM 1380 N PHE A 90 -4.373 -3.422 3.378 1.00 24.45 N ATOM 1381 CA PHE A 90 -3.994 -2.014 3.377 1.00 24.20 C ATOM 1382 C PHE A 90 -4.485 -1.319 2.111 1.00 23.32 C ATOM 1383 O PHE A 90 -4.891 -0.157 2.145 1.00 31.40 O ATOM 1384 CB PHE A 90 -2.475 -1.873 3.493 1.00 54.34 C ATOM 1385 CG PHE A 90 -1.987 -0.467 3.291 1.00 55.31 C ATOM 1386 CD1 PHE A 90 -1.633 -0.017 2.029 1.00 43.24 C ATOM 1387 CD2 PHE A 90 -1.880 0.404 4.363 1.00 74.23 C ATOM 1388 CE1 PHE A 90 -1.183 1.277 1.841 1.00 33.14 C ATOM 1389 CE2 PHE A 90 -1.431 1.699 4.180 1.00 73.44 C ATOM 1390 CZ PHE A 90 -1.081 2.135 2.917 1.00 72.13 C ATOM 0 H PHE A 90 -3.588 -4.070 3.310 1.00 24.45 H new ATOM 0 HA PHE A 90 -4.463 -1.537 4.237 1.00 24.20 H new ATOM 0 HB2 PHE A 90 -2.160 -2.221 4.477 1.00 54.34 H new ATOM 0 HB3 PHE A 90 -2.000 -2.523 2.758 1.00 54.34 H new ATOM 0 HD1 PHE A 90 -1.709 -0.684 1.183 1.00 43.24 H new ATOM 0 HD2 PHE A 90 -2.150 0.068 5.353 1.00 74.23 H new ATOM 0 HE1 PHE A 90 -0.911 1.616 0.852 1.00 33.14 H new ATOM 0 HE2 PHE A 90 -1.354 2.369 5.024 1.00 73.44 H new ATOM 0 HZ PHE A 90 -0.728 3.145 2.772 1.00 72.13 H new ATOM 1400 N ALA A 91 -4.446 -2.038 0.995 1.00 12.20 N ATOM 1401 CA ALA A 91 -4.888 -1.492 -0.282 1.00 31.13 C ATOM 1402 C ALA A 91 -6.380 -1.179 -0.259 1.00 73.25 C ATOM 1403 O ALA A 91 -6.798 -0.071 -0.594 1.00 2.14 O ATOM 1404 CB ALA A 91 -4.568 -2.462 -1.410 1.00 22.52 C ATOM 0 H ALA A 91 -4.113 -3.001 0.949 1.00 12.20 H new ATOM 0 HA ALA A 91 -4.351 -0.560 -0.455 1.00 31.13 H new ATOM 0 HB1 ALA A 91 -4.904 -2.041 -2.358 1.00 22.52 H new ATOM 0 HB2 ALA A 91 -3.492 -2.632 -1.449 1.00 22.52 H new ATOM 0 HB3 ALA A 91 -5.079 -3.408 -1.232 1.00 22.52 H new ATOM 1410 N VAL A 92 -7.180 -2.163 0.140 1.00 44.30 N ATOM 1411 CA VAL A 92 -8.627 -1.992 0.209 1.00 12.51 C ATOM 1412 C VAL A 92 -9.016 -1.055 1.347 1.00 73.13 C ATOM 1413 O VAL A 92 -9.714 -0.063 1.137 1.00 72.22 O ATOM 1414 CB VAL A 92 -9.343 -3.342 0.402 1.00 11.44 C ATOM 1415 CG1 VAL A 92 -10.850 -3.169 0.278 1.00 53.15 C ATOM 1416 CG2 VAL A 92 -8.832 -4.364 -0.602 1.00 51.42 C ATOM 0 H VAL A 92 -6.851 -3.087 0.420 1.00 44.30 H new ATOM 0 HA VAL A 92 -8.940 -1.556 -0.740 1.00 12.51 H new ATOM 0 HB VAL A 92 -9.124 -3.710 1.404 1.00 11.44 H new ATOM 0 HG11 VAL A 92 -11.340 -4.133 0.417 1.00 53.15 H new ATOM 0 HG12 VAL A 92 -11.200 -2.471 1.039 1.00 53.15 H new ATOM 0 HG13 VAL A 92 -11.091 -2.779 -0.711 1.00 53.15 H new ATOM 0 HG21 VAL A 92 -9.349 -5.312 -0.451 1.00 51.42 H new ATOM 0 HG22 VAL A 92 -9.020 -4.005 -1.614 1.00 51.42 H new ATOM 0 HG23 VAL A 92 -7.761 -4.508 -0.461 1.00 51.42 H new ATOM 1426 N ALA A 93 -8.560 -1.377 2.553 1.00 71.32 N ATOM 1427 CA ALA A 93 -8.859 -0.563 3.725 1.00 55.32 C ATOM 1428 C ALA A 93 -8.239 0.825 3.601 1.00 22.32 C ATOM 1429 O ALA A 93 -8.584 1.738 4.350 1.00 72.14 O ATOM 1430 CB ALA A 93 -8.363 -1.253 4.987 1.00 75.13 C ATOM 0 H ALA A 93 -7.982 -2.196 2.744 1.00 71.32 H new ATOM 0 HA ALA A 93 -9.941 -0.446 3.789 1.00 55.32 H new ATOM 0 HB1 ALA A 93 -8.593 -0.634 5.854 1.00 75.13 H new ATOM 0 HB2 ALA A 93 -8.855 -2.220 5.090 1.00 75.13 H new ATOM 0 HB3 ALA A 93 -7.285 -1.400 4.922 1.00 75.13 H new ATOM 1436 N GLY A 94 -7.323 0.978 2.649 1.00 21.40 N ATOM 1437 CA GLY A 94 -6.671 2.257 2.446 1.00 4.01 C ATOM 1438 C GLY A 94 -7.263 3.032 1.285 1.00 32.02 C ATOM 1439 O GLY A 94 -7.964 4.025 1.484 1.00 10.32 O ATOM 0 H GLY A 94 -7.021 0.238 2.015 1.00 21.40 H new ATOM 0 HA2 GLY A 94 -6.754 2.852 3.356 1.00 4.01 H new ATOM 0 HA3 GLY A 94 -5.608 2.095 2.266 1.00 4.01 H new ATOM 1443 N LEU A 95 -6.980 2.579 0.069 1.00 14.35 N ATOM 1444 CA LEU A 95 -7.489 3.237 -1.130 1.00 40.31 C ATOM 1445 C LEU A 95 -9.013 3.256 -1.137 1.00 71.44 C ATOM 1446 O LEU A 95 -9.632 4.264 -1.482 1.00 73.50 O ATOM 1447 CB LEU A 95 -6.970 2.529 -2.383 1.00 34.24 C ATOM 1448 CG LEU A 95 -5.507 2.789 -2.744 1.00 33.21 C ATOM 1449 CD1 LEU A 95 -5.237 4.282 -2.835 1.00 52.20 C ATOM 1450 CD2 LEU A 95 -4.583 2.138 -1.726 1.00 24.32 C ATOM 0 H LEU A 95 -6.401 1.759 -0.113 1.00 14.35 H new ATOM 0 HA LEU A 95 -7.133 4.267 -1.128 1.00 40.31 H new ATOM 0 HB2 LEU A 95 -7.106 1.455 -2.252 1.00 34.24 H new ATOM 0 HB3 LEU A 95 -7.590 2.828 -3.228 1.00 34.24 H new ATOM 0 HG LEU A 95 -5.309 2.345 -3.720 1.00 33.21 H new ATOM 0 HD11 LEU A 95 -4.191 4.448 -3.093 1.00 52.20 H new ATOM 0 HD12 LEU A 95 -5.874 4.721 -3.603 1.00 52.20 H new ATOM 0 HD13 LEU A 95 -5.452 4.750 -1.874 1.00 52.20 H new ATOM 0 HD21 LEU A 95 -3.546 2.333 -1.999 1.00 24.32 H new ATOM 0 HD22 LEU A 95 -4.782 2.551 -0.737 1.00 24.32 H new ATOM 0 HD23 LEU A 95 -4.758 1.062 -1.712 1.00 24.32 H new ATOM 1462 N LEU A 96 -9.615 2.135 -0.750 1.00 1.12 N ATOM 1463 CA LEU A 96 -11.069 2.022 -0.710 1.00 44.34 C ATOM 1464 C LEU A 96 -11.609 2.444 0.654 1.00 73.24 C ATOM 1465 O LEU A 96 -12.820 2.511 0.858 1.00 65.25 O ATOM 1466 CB LEU A 96 -11.498 0.588 -1.019 1.00 13.14 C ATOM 1467 CG LEU A 96 -12.272 0.386 -2.322 1.00 73.41 C ATOM 1468 CD1 LEU A 96 -13.540 1.224 -2.325 1.00 22.24 C ATOM 1469 CD2 LEU A 96 -11.399 0.730 -3.520 1.00 21.32 C ATOM 0 H LEU A 96 -9.118 1.293 -0.460 1.00 1.12 H new ATOM 0 HA LEU A 96 -11.482 2.688 -1.467 1.00 44.34 H new ATOM 0 HB2 LEU A 96 -10.607 -0.039 -1.048 1.00 13.14 H new ATOM 0 HB3 LEU A 96 -12.113 0.228 -0.194 1.00 13.14 H new ATOM 0 HG LEU A 96 -12.556 -0.664 -2.395 1.00 73.41 H new ATOM 0 HD11 LEU A 96 -14.078 1.067 -3.260 1.00 22.24 H new ATOM 0 HD12 LEU A 96 -14.173 0.929 -1.488 1.00 22.24 H new ATOM 0 HD13 LEU A 96 -13.280 2.278 -2.229 1.00 22.24 H new ATOM 0 HD21 LEU A 96 -11.966 0.580 -4.439 1.00 21.32 H new ATOM 0 HD22 LEU A 96 -11.084 1.771 -3.454 1.00 21.32 H new ATOM 0 HD23 LEU A 96 -10.520 0.085 -3.527 1.00 21.32 H new ATOM 1481 N ASN A 97 -10.701 2.729 1.582 1.00 3.02 N ATOM 1482 CA ASN A 97 -11.087 3.145 2.926 1.00 2.34 C ATOM 1483 C ASN A 97 -12.108 2.183 3.522 1.00 32.42 C ATOM 1484 O ASN A 97 -12.961 2.579 4.315 1.00 3.44 O ATOM 1485 CB ASN A 97 -11.661 4.563 2.897 1.00 63.42 C ATOM 1486 CG ASN A 97 -10.605 5.610 2.596 1.00 62.41 C ATOM 1487 OD1 ASN A 97 -9.687 5.826 3.386 1.00 23.12 O ATOM 1488 ND2 ASN A 97 -10.732 6.265 1.447 1.00 61.52 N ATOM 0 H ASN A 97 -9.694 2.680 1.428 1.00 3.02 H new ATOM 0 HA ASN A 97 -10.196 3.133 3.553 1.00 2.34 H new ATOM 0 HB2 ASN A 97 -12.448 4.618 2.145 1.00 63.42 H new ATOM 0 HB3 ASN A 97 -12.124 4.784 3.859 1.00 63.42 H new ATOM 0 HD21 ASN A 97 -10.052 6.980 1.190 1.00 61.52 H new ATOM 0 HD22 ASN A 97 -11.510 6.053 0.822 1.00 61.52 H new ATOM 1495 N MET A 98 -12.015 0.914 3.133 1.00 44.34 N ATOM 1496 CA MET A 98 -12.930 -0.106 3.631 1.00 2.11 C ATOM 1497 C MET A 98 -12.216 -1.058 4.585 1.00 70.05 C ATOM 1498 O MET A 98 -11.581 -2.023 4.157 1.00 64.53 O ATOM 1499 CB MET A 98 -13.534 -0.891 2.466 1.00 72.42 C ATOM 1500 CG MET A 98 -14.549 -1.938 2.899 1.00 54.21 C ATOM 1501 SD MET A 98 -14.418 -3.466 1.951 1.00 32.23 S ATOM 1502 CE MET A 98 -16.037 -3.529 1.186 1.00 63.11 C ATOM 0 H MET A 98 -11.316 0.569 2.475 1.00 44.34 H new ATOM 0 HA MET A 98 -13.730 0.394 4.177 1.00 2.11 H new ATOM 0 HB2 MET A 98 -14.014 -0.194 1.779 1.00 72.42 H new ATOM 0 HB3 MET A 98 -12.732 -1.381 1.914 1.00 72.42 H new ATOM 0 HG2 MET A 98 -14.409 -2.158 3.957 1.00 54.21 H new ATOM 0 HG3 MET A 98 -15.554 -1.531 2.788 1.00 54.21 H new ATOM 0 HE1 MET A 98 -16.111 -4.422 0.565 1.00 63.11 H new ATOM 0 HE2 MET A 98 -16.804 -3.560 1.960 1.00 63.11 H new ATOM 0 HE3 MET A 98 -16.182 -2.643 0.567 1.00 63.11 H new ATOM 1512 N THR A 99 -12.323 -0.780 5.881 1.00 52.13 N ATOM 1513 CA THR A 99 -11.687 -1.611 6.896 1.00 51.12 C ATOM 1514 C THR A 99 -12.241 -3.031 6.871 1.00 53.13 C ATOM 1515 O THR A 99 -13.410 -3.257 7.182 1.00 65.35 O ATOM 1516 CB THR A 99 -11.879 -1.022 8.306 1.00 51.01 C ATOM 1517 OG1 THR A 99 -11.406 -1.946 9.292 1.00 14.01 O ATOM 1518 CG2 THR A 99 -13.343 -0.702 8.564 1.00 22.53 C ATOM 0 H THR A 99 -12.844 0.014 6.252 1.00 52.13 H new ATOM 0 HA THR A 99 -10.623 -1.635 6.662 1.00 51.12 H new ATOM 0 HB THR A 99 -11.305 -0.098 8.371 1.00 51.01 H new ATOM 0 HG1 THR A 99 -11.530 -1.563 10.185 1.00 14.01 H new ATOM 0 HG21 THR A 99 -13.454 -0.287 9.566 1.00 22.53 H new ATOM 0 HG22 THR A 99 -13.691 0.025 7.830 1.00 22.53 H new ATOM 0 HG23 THR A 99 -13.935 -1.614 8.481 1.00 22.53 H new ATOM 1526 N VAL A 100 -11.393 -3.986 6.500 1.00 23.32 N ATOM 1527 CA VAL A 100 -11.799 -5.385 6.436 1.00 13.11 C ATOM 1528 C VAL A 100 -11.690 -6.050 7.804 1.00 32.34 C ATOM 1529 O VAL A 100 -10.904 -5.628 8.651 1.00 4.22 O ATOM 1530 CB VAL A 100 -10.944 -6.172 5.425 1.00 10.40 C ATOM 1531 CG1 VAL A 100 -9.518 -6.321 5.934 1.00 52.31 C ATOM 1532 CG2 VAL A 100 -11.565 -7.532 5.146 1.00 41.44 C ATOM 0 H VAL A 100 -10.422 -3.816 6.240 1.00 23.32 H new ATOM 0 HA VAL A 100 -12.839 -5.399 6.109 1.00 13.11 H new ATOM 0 HB VAL A 100 -10.914 -5.614 4.489 1.00 10.40 H new ATOM 0 HG11 VAL A 100 -8.929 -6.880 5.207 1.00 52.31 H new ATOM 0 HG12 VAL A 100 -9.078 -5.334 6.077 1.00 52.31 H new ATOM 0 HG13 VAL A 100 -9.525 -6.856 6.884 1.00 52.31 H new ATOM 0 HG21 VAL A 100 -10.947 -8.074 4.430 1.00 41.44 H new ATOM 0 HG22 VAL A 100 -11.628 -8.100 6.074 1.00 41.44 H new ATOM 0 HG23 VAL A 100 -12.565 -7.398 4.734 1.00 41.44 H new ATOM 1542 N SER A 101 -12.485 -7.096 8.011 1.00 43.40 N ATOM 1543 CA SER A 101 -12.482 -7.819 9.277 1.00 13.02 C ATOM 1544 C SER A 101 -11.109 -8.425 9.552 1.00 52.05 C ATOM 1545 O SER A 101 -10.554 -8.269 10.641 1.00 21.44 O ATOM 1546 CB SER A 101 -13.544 -8.919 9.263 1.00 23.22 C ATOM 1547 OG SER A 101 -14.039 -9.134 7.953 1.00 23.42 O ATOM 0 H SER A 101 -13.139 -7.461 7.318 1.00 43.40 H new ATOM 0 HA SER A 101 -12.714 -7.111 10.073 1.00 13.02 H new ATOM 0 HB2 SER A 101 -13.118 -9.845 9.651 1.00 23.22 H new ATOM 0 HB3 SER A 101 -14.365 -8.644 9.925 1.00 23.22 H new ATOM 0 HG SER A 101 -14.715 -9.843 7.971 1.00 23.42 H new ATOM 1553 N THR A 102 -10.565 -9.120 8.558 1.00 30.45 N ATOM 1554 CA THR A 102 -9.259 -9.752 8.690 1.00 72.14 C ATOM 1555 C THR A 102 -8.455 -9.630 7.401 1.00 32.24 C ATOM 1556 O THR A 102 -9.022 -9.523 6.314 1.00 12.43 O ATOM 1557 CB THR A 102 -9.391 -11.241 9.062 1.00 35.24 C ATOM 1558 OG1 THR A 102 -9.816 -11.994 7.920 1.00 60.14 O ATOM 1559 CG2 THR A 102 -10.383 -11.430 10.199 1.00 12.44 C ATOM 0 H THR A 102 -11.010 -9.259 7.651 1.00 30.45 H new ATOM 0 HA THR A 102 -8.735 -9.230 9.491 1.00 72.14 H new ATOM 0 HB THR A 102 -8.415 -11.599 9.391 1.00 35.24 H new ATOM 0 HG1 THR A 102 -9.896 -12.940 8.163 1.00 60.14 H new ATOM 0 HG21 THR A 102 -10.459 -12.490 10.443 1.00 12.44 H new ATOM 0 HG22 THR A 102 -10.041 -10.879 11.075 1.00 12.44 H new ATOM 0 HG23 THR A 102 -11.361 -11.057 9.894 1.00 12.44 H new ATOM 1567 N ALA A 103 -7.133 -9.649 7.529 1.00 73.13 N ATOM 1568 CA ALA A 103 -6.251 -9.544 6.374 1.00 21.45 C ATOM 1569 C ALA A 103 -6.627 -10.562 5.302 1.00 41.20 C ATOM 1570 O ALA A 103 -6.596 -10.262 4.109 1.00 71.12 O ATOM 1571 CB ALA A 103 -4.802 -9.730 6.796 1.00 34.22 C ATOM 0 H ALA A 103 -6.649 -9.736 8.422 1.00 73.13 H new ATOM 0 HA ALA A 103 -6.368 -8.547 5.949 1.00 21.45 H new ATOM 0 HB1 ALA A 103 -4.155 -9.649 5.922 1.00 34.22 H new ATOM 0 HB2 ALA A 103 -4.532 -8.961 7.520 1.00 34.22 H new ATOM 0 HB3 ALA A 103 -4.678 -10.714 7.249 1.00 34.22 H new ATOM 1577 N ALA A 104 -6.981 -11.767 5.736 1.00 20.33 N ATOM 1578 CA ALA A 104 -7.364 -12.829 4.814 1.00 35.12 C ATOM 1579 C ALA A 104 -8.627 -12.459 4.043 1.00 42.33 C ATOM 1580 O ALA A 104 -8.701 -12.640 2.829 1.00 33.12 O ATOM 1581 CB ALA A 104 -7.567 -14.136 5.567 1.00 42.31 C ATOM 0 H ALA A 104 -7.011 -12.032 6.720 1.00 20.33 H new ATOM 0 HA ALA A 104 -6.556 -12.959 4.095 1.00 35.12 H new ATOM 0 HB1 ALA A 104 -7.853 -14.920 4.865 1.00 42.31 H new ATOM 0 HB2 ALA A 104 -6.639 -14.416 6.066 1.00 42.31 H new ATOM 0 HB3 ALA A 104 -8.355 -14.009 6.310 1.00 42.31 H new ATOM 1587 N ALA A 105 -9.620 -11.941 4.760 1.00 24.13 N ATOM 1588 CA ALA A 105 -10.880 -11.543 4.143 1.00 75.13 C ATOM 1589 C ALA A 105 -10.649 -10.539 3.020 1.00 71.00 C ATOM 1590 O ALA A 105 -11.283 -10.614 1.967 1.00 2.53 O ATOM 1591 CB ALA A 105 -11.819 -10.962 5.189 1.00 71.32 C ATOM 0 H ALA A 105 -9.576 -11.787 5.767 1.00 24.13 H new ATOM 0 HA ALA A 105 -11.341 -12.431 3.711 1.00 75.13 H new ATOM 0 HB1 ALA A 105 -12.756 -10.669 4.715 1.00 71.32 H new ATOM 0 HB2 ALA A 105 -12.019 -11.711 5.955 1.00 71.32 H new ATOM 0 HB3 ALA A 105 -11.356 -10.088 5.648 1.00 71.32 H new ATOM 1597 N ALA A 106 -9.737 -9.599 3.250 1.00 65.51 N ATOM 1598 CA ALA A 106 -9.423 -8.580 2.257 1.00 43.14 C ATOM 1599 C ALA A 106 -8.812 -9.203 1.007 1.00 51.30 C ATOM 1600 O ALA A 106 -9.206 -8.881 -0.114 1.00 65.43 O ATOM 1601 CB ALA A 106 -8.480 -7.542 2.847 1.00 52.13 C ATOM 0 H ALA A 106 -9.203 -9.523 4.116 1.00 65.51 H new ATOM 0 HA ALA A 106 -10.352 -8.089 1.969 1.00 43.14 H new ATOM 0 HB1 ALA A 106 -8.254 -6.787 2.094 1.00 52.13 H new ATOM 0 HB2 ALA A 106 -8.953 -7.067 3.707 1.00 52.13 H new ATOM 0 HB3 ALA A 106 -7.557 -8.027 3.163 1.00 52.13 H new ATOM 1607 N GLU A 107 -7.847 -10.095 1.206 1.00 32.50 N ATOM 1608 CA GLU A 107 -7.181 -10.762 0.093 1.00 40.30 C ATOM 1609 C GLU A 107 -8.196 -11.458 -0.810 1.00 52.42 C ATOM 1610 O GLU A 107 -8.108 -11.380 -2.034 1.00 75.11 O ATOM 1611 CB GLU A 107 -6.163 -11.777 0.613 1.00 31.50 C ATOM 1612 CG GLU A 107 -5.584 -12.670 -0.472 1.00 0.41 C ATOM 1613 CD GLU A 107 -5.985 -14.123 -0.309 1.00 21.21 C ATOM 1614 OE1 GLU A 107 -5.113 -15.001 -0.476 1.00 4.40 O ATOM 1615 OE2 GLU A 107 -7.171 -14.382 -0.015 1.00 50.12 O ATOM 0 H GLU A 107 -7.509 -10.373 2.127 1.00 32.50 H new ATOM 0 HA GLU A 107 -6.660 -10.004 -0.492 1.00 40.30 H new ATOM 0 HB2 GLU A 107 -5.350 -11.244 1.105 1.00 31.50 H new ATOM 0 HB3 GLU A 107 -6.639 -12.401 1.370 1.00 31.50 H new ATOM 0 HG2 GLU A 107 -5.916 -12.313 -1.447 1.00 0.41 H new ATOM 0 HG3 GLU A 107 -4.497 -12.594 -0.458 1.00 0.41 H new ATOM 1622 N ASN A 108 -9.157 -12.138 -0.194 1.00 70.40 N ATOM 1623 CA ASN A 108 -10.188 -12.850 -0.941 1.00 12.31 C ATOM 1624 C ASN A 108 -11.008 -11.884 -1.792 1.00 72.34 C ATOM 1625 O ASN A 108 -11.187 -12.096 -2.991 1.00 52.33 O ATOM 1626 CB ASN A 108 -11.108 -13.611 0.016 1.00 43.21 C ATOM 1627 CG ASN A 108 -11.469 -14.989 -0.502 1.00 4.15 C ATOM 1628 OD1 ASN A 108 -11.275 -15.292 -1.680 1.00 33.10 O ATOM 1629 ND2 ASN A 108 -11.999 -15.832 0.377 1.00 2.42 N ATOM 0 H ASN A 108 -9.244 -12.211 0.820 1.00 70.40 H new ATOM 0 HA ASN A 108 -9.695 -13.562 -1.603 1.00 12.31 H new ATOM 0 HB2 ASN A 108 -10.620 -13.707 0.986 1.00 43.21 H new ATOM 0 HB3 ASN A 108 -12.020 -13.035 0.174 1.00 43.21 H new ATOM 0 HD21 ASN A 108 -12.263 -16.773 0.086 1.00 2.42 H new ATOM 0 HD22 ASN A 108 -12.142 -15.538 1.343 1.00 2.42 H new ATOM 1636 N MET A 109 -11.502 -10.823 -1.163 1.00 61.33 N ATOM 1637 CA MET A 109 -12.301 -9.824 -1.862 1.00 24.44 C ATOM 1638 C MET A 109 -11.542 -9.262 -3.060 1.00 50.41 C ATOM 1639 O MET A 109 -12.136 -8.947 -4.091 1.00 13.14 O ATOM 1640 CB MET A 109 -12.688 -8.690 -0.911 1.00 54.44 C ATOM 1641 CG MET A 109 -13.752 -9.081 0.100 1.00 22.43 C ATOM 1642 SD MET A 109 -15.421 -8.981 -0.576 1.00 5.13 S ATOM 1643 CE MET A 109 -16.179 -10.419 0.176 1.00 32.03 C ATOM 0 H MET A 109 -11.363 -10.633 -0.171 1.00 61.33 H new ATOM 0 HA MET A 109 -13.208 -10.309 -2.223 1.00 24.44 H new ATOM 0 HB2 MET A 109 -11.798 -8.354 -0.378 1.00 54.44 H new ATOM 0 HB3 MET A 109 -13.048 -7.843 -1.496 1.00 54.44 H new ATOM 0 HG2 MET A 109 -13.564 -10.098 0.445 1.00 22.43 H new ATOM 0 HG3 MET A 109 -13.677 -8.430 0.971 1.00 22.43 H new ATOM 0 HE1 MET A 109 -17.217 -10.494 -0.147 1.00 32.03 H new ATOM 0 HE2 MET A 109 -15.639 -11.316 -0.128 1.00 32.03 H new ATOM 0 HE3 MET A 109 -16.142 -10.324 1.261 1.00 32.03 H new ATOM 1653 N TYR A 110 -10.227 -9.139 -2.916 1.00 45.42 N ATOM 1654 CA TYR A 110 -9.387 -8.612 -3.985 1.00 31.45 C ATOM 1655 C TYR A 110 -9.420 -9.528 -5.205 1.00 51.41 C ATOM 1656 O TYR A 110 -9.742 -9.095 -6.311 1.00 30.41 O ATOM 1657 CB TYR A 110 -7.948 -8.446 -3.496 1.00 54.21 C ATOM 1658 CG TYR A 110 -7.371 -7.075 -3.766 1.00 14.44 C ATOM 1659 CD1 TYR A 110 -6.151 -6.929 -4.416 1.00 0.55 C ATOM 1660 CD2 TYR A 110 -8.043 -5.926 -3.370 1.00 22.21 C ATOM 1661 CE1 TYR A 110 -5.620 -5.678 -4.665 1.00 55.21 C ATOM 1662 CE2 TYR A 110 -7.520 -4.671 -3.616 1.00 20.11 C ATOM 1663 CZ TYR A 110 -6.307 -4.553 -4.263 1.00 23.01 C ATOM 1664 OH TYR A 110 -5.782 -3.304 -4.507 1.00 32.45 O ATOM 0 H TYR A 110 -9.720 -9.397 -2.069 1.00 45.42 H new ATOM 0 HA TYR A 110 -9.779 -7.637 -4.275 1.00 31.45 H new ATOM 0 HB2 TYR A 110 -7.913 -8.641 -2.424 1.00 54.21 H new ATOM 0 HB3 TYR A 110 -7.321 -9.196 -3.977 1.00 54.21 H new ATOM 0 HD1 TYR A 110 -5.609 -7.808 -4.732 1.00 0.55 H new ATOM 0 HD2 TYR A 110 -8.991 -6.015 -2.861 1.00 22.21 H new ATOM 0 HE1 TYR A 110 -4.671 -5.582 -5.172 1.00 55.21 H new ATOM 0 HE2 TYR A 110 -8.057 -3.788 -3.304 1.00 20.11 H new ATOM 0 HH TYR A 110 -5.365 -3.292 -5.394 1.00 32.45 H new ATOM 1674 N SER A 111 -9.084 -10.797 -4.994 1.00 2.51 N ATOM 1675 CA SER A 111 -9.071 -11.774 -6.075 1.00 0.41 C ATOM 1676 C SER A 111 -10.475 -11.982 -6.637 1.00 40.42 C ATOM 1677 O SER A 111 -10.667 -12.035 -7.851 1.00 2.40 O ATOM 1678 CB SER A 111 -8.505 -13.107 -5.581 1.00 44.33 C ATOM 1679 OG SER A 111 -8.945 -13.389 -4.264 1.00 52.14 O ATOM 0 H SER A 111 -8.817 -11.172 -4.084 1.00 2.51 H new ATOM 0 HA SER A 111 -8.433 -11.389 -6.871 1.00 0.41 H new ATOM 0 HB2 SER A 111 -8.815 -13.909 -6.251 1.00 44.33 H new ATOM 0 HB3 SER A 111 -7.416 -13.075 -5.605 1.00 44.33 H new ATOM 0 HG SER A 111 -9.766 -12.886 -4.079 1.00 52.14 H new ATOM 1685 N GLN A 112 -11.451 -12.099 -5.743 1.00 52.24 N ATOM 1686 CA GLN A 112 -12.837 -12.302 -6.148 1.00 41.55 C ATOM 1687 C GLN A 112 -13.361 -11.095 -6.920 1.00 55.22 C ATOM 1688 O GLN A 112 -14.231 -11.226 -7.780 1.00 53.14 O ATOM 1689 CB GLN A 112 -13.716 -12.558 -4.923 1.00 73.21 C ATOM 1690 CG GLN A 112 -13.568 -13.960 -4.352 1.00 62.23 C ATOM 1691 CD GLN A 112 -14.486 -14.208 -3.171 1.00 43.44 C ATOM 1692 OE1 GLN A 112 -15.084 -13.278 -2.628 1.00 33.12 O ATOM 1693 NE2 GLN A 112 -14.602 -15.467 -2.766 1.00 64.35 N ATOM 0 H GLN A 112 -11.308 -12.057 -4.734 1.00 52.24 H new ATOM 0 HA GLN A 112 -12.874 -13.173 -6.802 1.00 41.55 H new ATOM 0 HB2 GLN A 112 -13.468 -11.831 -4.149 1.00 73.21 H new ATOM 0 HB3 GLN A 112 -14.759 -12.393 -5.193 1.00 73.21 H new ATOM 0 HG2 GLN A 112 -13.781 -14.691 -5.132 1.00 62.23 H new ATOM 0 HG3 GLN A 112 -12.534 -14.115 -4.043 1.00 62.23 H new ATOM 0 HE21 GLN A 112 -14.088 -16.206 -3.245 1.00 64.35 H new ATOM 0 HE22 GLN A 112 -15.205 -15.695 -1.976 1.00 64.35 H new ATOM 1702 N MET A 113 -12.824 -9.921 -6.607 1.00 44.52 N ATOM 1703 CA MET A 113 -13.237 -8.690 -7.273 1.00 43.13 C ATOM 1704 C MET A 113 -12.760 -8.669 -8.721 1.00 71.31 C ATOM 1705 O MET A 113 -13.327 -7.973 -9.562 1.00 31.31 O ATOM 1706 CB MET A 113 -12.690 -7.472 -6.526 1.00 50.14 C ATOM 1707 CG MET A 113 -12.993 -6.151 -7.213 1.00 61.32 C ATOM 1708 SD MET A 113 -13.087 -4.771 -6.056 1.00 60.11 S ATOM 1709 CE MET A 113 -12.220 -3.501 -6.972 1.00 54.30 C ATOM 0 H MET A 113 -12.102 -9.795 -5.897 1.00 44.52 H new ATOM 0 HA MET A 113 -14.326 -8.652 -7.267 1.00 43.13 H new ATOM 0 HB2 MET A 113 -13.110 -7.454 -5.520 1.00 50.14 H new ATOM 0 HB3 MET A 113 -11.610 -7.577 -6.418 1.00 50.14 H new ATOM 0 HG2 MET A 113 -12.221 -5.946 -7.955 1.00 61.32 H new ATOM 0 HG3 MET A 113 -13.937 -6.234 -7.751 1.00 61.32 H new ATOM 0 HE1 MET A 113 -12.194 -2.583 -6.385 1.00 54.30 H new ATOM 0 HE2 MET A 113 -11.201 -3.830 -7.175 1.00 54.30 H new ATOM 0 HE3 MET A 113 -12.736 -3.315 -7.914 1.00 54.30 H new