USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 816 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 29 TYR OH : rot 173:sc= 1.21 USER MOD Set 1.2: A 97 THR OG1 : rot 50:sc= 0.328 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 170:sc= -0.105 (180deg=-0.299) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.57) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -2.12! C(o=-2.1!,f=-7.8!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.163 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.642 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.046 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.139 X(o=-0.14,f=0) USER MOD Single : A 70 THR OG1 : rot -52:sc= 0.829 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0306 USER MOD Single : A 77 SER OG : rot 156:sc= -0.0521 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.656 USER MOD Single : A 80 ASN : amide:sc= -5.68! C(o=-5.7!,f=-5!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 78:sc= -0.319 USER MOD Single : A 89 HIS : no HE2:sc= -0.355 K(o=-0.076,f=-5.2!) USER MOD Single : A 90 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.045) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -165:sc= -0.0186 (180deg=-0.208) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 4.474 -5.116 -14.154 1.00 3.22 N ATOM 64 CA VAL A 7 3.178 -5.069 -14.822 1.00 10.43 C ATOM 65 C VAL A 7 2.195 -4.194 -14.053 1.00 24.13 C ATOM 66 O VAL A 7 1.845 -3.098 -14.494 1.00 22.12 O ATOM 67 CB VAL A 7 2.578 -6.478 -14.983 1.00 44.40 C ATOM 68 CG1 VAL A 7 1.215 -6.405 -15.654 1.00 3.11 C ATOM 69 CG2 VAL A 7 3.523 -7.372 -15.771 1.00 73.34 C ATOM 0 HA VAL A 7 3.346 -4.639 -15.810 1.00 10.43 H new ATOM 0 HB VAL A 7 2.445 -6.913 -13.992 1.00 44.40 H new ATOM 0 HG11 VAL A 7 0.807 -7.410 -15.759 1.00 3.11 H new ATOM 0 HG12 VAL A 7 0.542 -5.802 -15.045 1.00 3.11 H new ATOM 0 HG13 VAL A 7 1.318 -5.951 -16.639 1.00 3.11 H new ATOM 0 HG21 VAL A 7 3.083 -8.364 -15.875 1.00 73.34 H new ATOM 0 HG22 VAL A 7 3.690 -6.943 -16.759 1.00 73.34 H new ATOM 0 HG23 VAL A 7 4.474 -7.450 -15.244 1.00 73.34 H new ATOM 79 N LEU A 8 1.753 -4.683 -12.900 1.00 20.32 N ATOM 80 CA LEU A 8 0.809 -3.945 -12.068 1.00 40.11 C ATOM 81 C LEU A 8 1.482 -3.447 -10.793 1.00 22.42 C ATOM 82 O LEU A 8 2.034 -4.232 -10.022 1.00 32.25 O ATOM 83 CB LEU A 8 -0.389 -4.829 -11.713 1.00 10.04 C ATOM 84 CG LEU A 8 -1.293 -5.232 -12.878 1.00 13.14 C ATOM 85 CD1 LEU A 8 -2.488 -6.027 -12.376 1.00 24.32 C ATOM 86 CD2 LEU A 8 -1.753 -4.002 -13.647 1.00 25.20 C ATOM 0 H LEU A 8 2.033 -5.587 -12.520 1.00 20.32 H new ATOM 0 HA LEU A 8 0.461 -3.082 -12.635 1.00 40.11 H new ATOM 0 HB2 LEU A 8 -0.017 -5.736 -11.237 1.00 10.04 H new ATOM 0 HB3 LEU A 8 -0.995 -4.306 -10.973 1.00 10.04 H new ATOM 0 HG LEU A 8 -0.720 -5.865 -13.555 1.00 13.14 H new ATOM 0 HD11 LEU A 8 -3.120 -6.305 -13.219 1.00 24.32 H new ATOM 0 HD12 LEU A 8 -2.139 -6.928 -11.871 1.00 24.32 H new ATOM 0 HD13 LEU A 8 -3.062 -5.419 -11.677 1.00 24.32 H new ATOM 0 HD21 LEU A 8 -2.395 -4.308 -14.473 1.00 25.20 H new ATOM 0 HD22 LEU A 8 -2.309 -3.343 -12.980 1.00 25.20 H new ATOM 0 HD23 LEU A 8 -0.885 -3.473 -14.040 1.00 25.20 H new ATOM 98 N SER A 9 1.429 -2.136 -10.576 1.00 1.52 N ATOM 99 CA SER A 9 2.035 -1.532 -9.396 1.00 42.34 C ATOM 100 C SER A 9 1.231 -1.862 -8.142 1.00 35.14 C ATOM 101 O SER A 9 0.273 -2.634 -8.191 1.00 21.10 O ATOM 102 CB SER A 9 2.133 -0.015 -9.566 1.00 13.44 C ATOM 103 OG SER A 9 0.917 0.618 -9.212 1.00 40.33 O ATOM 0 H SER A 9 0.973 -1.473 -11.202 1.00 1.52 H new ATOM 0 HA SER A 9 3.038 -1.944 -9.283 1.00 42.34 H new ATOM 0 HB2 SER A 9 2.942 0.372 -8.946 1.00 13.44 H new ATOM 0 HB3 SER A 9 2.383 0.223 -10.600 1.00 13.44 H new ATOM 0 HG SER A 9 1.007 1.587 -9.328 1.00 40.33 H new ATOM 109 N GLY A 10 1.628 -1.273 -7.018 1.00 34.41 N ATOM 110 CA GLY A 10 0.934 -1.517 -5.768 1.00 55.23 C ATOM 111 C GLY A 10 -0.550 -1.221 -5.860 1.00 3.23 C ATOM 112 O GLY A 10 -1.379 -2.044 -5.479 1.00 73.35 O ATOM 0 H GLY A 10 2.418 -0.631 -6.951 1.00 34.41 H new ATOM 0 HA2 GLY A 10 1.076 -2.557 -5.474 1.00 55.23 H new ATOM 0 HA3 GLY A 10 1.376 -0.901 -4.985 1.00 55.23 H new ATOM 116 N GLY A 11 -0.885 -0.039 -6.368 1.00 23.13 N ATOM 117 CA GLY A 11 -2.278 0.344 -6.498 1.00 22.43 C ATOM 118 C GLY A 11 -3.050 -0.577 -7.422 1.00 10.23 C ATOM 119 O GLY A 11 -4.131 -1.050 -7.076 1.00 21.23 O ATOM 0 H GLY A 11 -0.216 0.660 -6.692 1.00 23.13 H new ATOM 0 HA2 GLY A 11 -2.746 0.341 -5.513 1.00 22.43 H new ATOM 0 HA3 GLY A 11 -2.337 1.365 -6.876 1.00 22.43 H new ATOM 123 N GLU A 12 -2.491 -0.832 -8.602 1.00 74.33 N ATOM 124 CA GLU A 12 -3.136 -1.702 -9.579 1.00 1.52 C ATOM 125 C GLU A 12 -3.322 -3.108 -9.017 1.00 53.52 C ATOM 126 O GLU A 12 -4.375 -3.724 -9.187 1.00 5.01 O ATOM 127 CB GLU A 12 -2.310 -1.759 -10.866 1.00 54.02 C ATOM 128 CG GLU A 12 -1.859 -0.396 -11.361 1.00 12.04 C ATOM 129 CD GLU A 12 -1.209 -0.459 -12.730 1.00 63.21 C ATOM 130 OE1 GLU A 12 -0.025 -0.849 -12.807 1.00 2.34 O ATOM 131 OE2 GLU A 12 -1.884 -0.117 -13.724 1.00 35.31 O ATOM 0 H GLU A 12 -1.595 -0.449 -8.904 1.00 74.33 H new ATOM 0 HA GLU A 12 -4.119 -1.288 -9.804 1.00 1.52 H new ATOM 0 HB2 GLU A 12 -1.433 -2.383 -10.697 1.00 54.02 H new ATOM 0 HB3 GLU A 12 -2.900 -2.242 -11.645 1.00 54.02 H new ATOM 0 HG2 GLU A 12 -2.718 0.274 -11.401 1.00 12.04 H new ATOM 0 HG3 GLU A 12 -1.154 0.031 -10.647 1.00 12.04 H new ATOM 138 N LEU A 13 -2.291 -3.611 -8.347 1.00 54.42 N ATOM 139 CA LEU A 13 -2.338 -4.946 -7.759 1.00 52.13 C ATOM 140 C LEU A 13 -3.532 -5.085 -6.820 1.00 41.15 C ATOM 141 O LEU A 13 -4.208 -6.113 -6.808 1.00 31.22 O ATOM 142 CB LEU A 13 -1.042 -5.237 -7.001 1.00 10.34 C ATOM 143 CG LEU A 13 -0.701 -6.714 -6.797 1.00 41.30 C ATOM 144 CD1 LEU A 13 0.730 -6.869 -6.306 1.00 64.03 C ATOM 145 CD2 LEU A 13 -1.674 -7.355 -5.819 1.00 60.55 C ATOM 0 H LEU A 13 -1.412 -3.115 -8.197 1.00 54.42 H new ATOM 0 HA LEU A 13 -2.449 -5.669 -8.567 1.00 52.13 H new ATOM 0 HB2 LEU A 13 -0.218 -4.765 -7.536 1.00 10.34 H new ATOM 0 HB3 LEU A 13 -1.102 -4.760 -6.023 1.00 10.34 H new ATOM 0 HG LEU A 13 -0.791 -7.224 -7.756 1.00 41.30 H new ATOM 0 HD11 LEU A 13 0.954 -7.927 -6.167 1.00 64.03 H new ATOM 0 HD12 LEU A 13 1.415 -6.447 -7.041 1.00 64.03 H new ATOM 0 HD13 LEU A 13 0.848 -6.345 -5.358 1.00 64.03 H new ATOM 0 HD21 LEU A 13 -1.417 -8.406 -5.686 1.00 60.55 H new ATOM 0 HD22 LEU A 13 -1.615 -6.842 -4.859 1.00 60.55 H new ATOM 0 HD23 LEU A 13 -2.688 -7.277 -6.211 1.00 60.55 H new ATOM 157 N ASP A 14 -3.786 -4.043 -6.035 1.00 11.55 N ATOM 158 CA ASP A 14 -4.900 -4.048 -5.095 1.00 65.10 C ATOM 159 C ASP A 14 -6.214 -4.344 -5.811 1.00 52.44 C ATOM 160 O ASP A 14 -6.936 -5.273 -5.446 1.00 33.15 O ATOM 161 CB ASP A 14 -4.991 -2.703 -4.373 1.00 44.12 C ATOM 162 CG ASP A 14 -5.690 -2.811 -3.031 1.00 13.22 C ATOM 163 OD1 ASP A 14 -6.799 -3.382 -2.986 1.00 40.11 O ATOM 164 OD2 ASP A 14 -5.127 -2.325 -2.028 1.00 21.22 O ATOM 0 H ASP A 14 -3.235 -3.185 -6.032 1.00 11.55 H new ATOM 0 HA ASP A 14 -4.721 -4.835 -4.362 1.00 65.10 H new ATOM 0 HB2 ASP A 14 -3.987 -2.305 -4.225 1.00 44.12 H new ATOM 0 HB3 ASP A 14 -5.527 -1.992 -5.002 1.00 44.12 H new ATOM 169 N LYS A 15 -6.519 -3.549 -6.830 1.00 40.11 N ATOM 170 CA LYS A 15 -7.746 -3.726 -7.598 1.00 41.41 C ATOM 171 C LYS A 15 -7.720 -5.041 -8.370 1.00 14.12 C ATOM 172 O LYS A 15 -8.732 -5.736 -8.465 1.00 50.44 O ATOM 173 CB LYS A 15 -7.938 -2.557 -8.567 1.00 75.20 C ATOM 174 CG LYS A 15 -8.186 -1.228 -7.875 1.00 5.41 C ATOM 175 CD LYS A 15 -7.411 -0.101 -8.540 1.00 72.35 C ATOM 176 CE LYS A 15 -8.255 1.159 -8.659 1.00 4.32 C ATOM 177 NZ LYS A 15 -7.667 2.130 -9.623 1.00 11.00 N ATOM 0 H LYS A 15 -5.933 -2.775 -7.144 1.00 40.11 H new ATOM 0 HA LYS A 15 -8.582 -3.752 -6.899 1.00 41.41 H new ATOM 0 HB2 LYS A 15 -7.053 -2.469 -9.197 1.00 75.20 H new ATOM 0 HB3 LYS A 15 -8.778 -2.776 -9.226 1.00 75.20 H new ATOM 0 HG2 LYS A 15 -9.252 -0.999 -7.895 1.00 5.41 H new ATOM 0 HG3 LYS A 15 -7.895 -1.302 -6.827 1.00 5.41 H new ATOM 0 HD2 LYS A 15 -6.512 0.115 -7.962 1.00 72.35 H new ATOM 0 HD3 LYS A 15 -7.085 -0.417 -9.531 1.00 72.35 H new ATOM 0 HE2 LYS A 15 -9.262 0.893 -8.980 1.00 4.32 H new ATOM 0 HE3 LYS A 15 -8.346 1.629 -7.680 1.00 4.32 H new ATOM 0 HZ1 LYS A 15 -8.271 2.975 -9.676 1.00 11.00 H new ATOM 0 HZ2 LYS A 15 -6.716 2.404 -9.304 1.00 11.00 H new ATOM 0 HZ3 LYS A 15 -7.603 1.690 -10.563 1.00 11.00 H new ATOM 191 N TRP A 16 -6.558 -5.377 -8.918 1.00 54.42 N ATOM 192 CA TRP A 16 -6.401 -6.611 -9.680 1.00 3.01 C ATOM 193 C TRP A 16 -6.858 -7.816 -8.866 1.00 21.21 C ATOM 194 O TRP A 16 -7.661 -8.623 -9.334 1.00 10.22 O ATOM 195 CB TRP A 16 -4.942 -6.790 -10.105 1.00 71.13 C ATOM 196 CG TRP A 16 -4.668 -8.119 -10.741 1.00 51.34 C ATOM 197 CD1 TRP A 16 -4.176 -9.235 -10.127 1.00 74.11 C ATOM 198 CD2 TRP A 16 -4.868 -8.469 -12.114 1.00 33.00 C ATOM 199 NE1 TRP A 16 -4.059 -10.259 -11.036 1.00 11.43 N ATOM 200 CE2 TRP A 16 -4.477 -9.814 -12.263 1.00 63.02 C ATOM 201 CE3 TRP A 16 -5.340 -7.778 -13.233 1.00 34.04 C ATOM 202 CZ2 TRP A 16 -4.545 -10.478 -13.484 1.00 1.53 C ATOM 203 CZ3 TRP A 16 -5.406 -8.439 -14.445 1.00 5.13 C ATOM 204 CH2 TRP A 16 -5.010 -9.777 -14.563 1.00 71.22 C ATOM 0 H TRP A 16 -5.711 -4.813 -8.849 1.00 54.42 H new ATOM 0 HA TRP A 16 -7.026 -6.541 -10.571 1.00 3.01 H new ATOM 0 HB2 TRP A 16 -4.675 -5.998 -10.805 1.00 71.13 H new ATOM 0 HB3 TRP A 16 -4.300 -6.674 -9.232 1.00 71.13 H new ATOM 0 HD1 TRP A 16 -3.917 -9.303 -9.081 1.00 74.11 H new ATOM 0 HE1 TRP A 16 -3.717 -11.198 -10.831 1.00 11.43 H new ATOM 0 HE3 TRP A 16 -5.648 -6.746 -13.152 1.00 34.04 H new ATOM 0 HZ2 TRP A 16 -4.241 -11.510 -13.577 1.00 1.53 H new ATOM 0 HZ3 TRP A 16 -5.769 -7.914 -15.316 1.00 5.13 H new ATOM 0 HH2 TRP A 16 -5.073 -10.265 -15.524 1.00 71.22 H new ATOM 215 N GLU A 17 -6.343 -7.931 -7.645 1.00 21.44 N ATOM 216 CA GLU A 17 -6.700 -9.039 -6.768 1.00 13.22 C ATOM 217 C GLU A 17 -8.199 -9.045 -6.480 1.00 14.53 C ATOM 218 O GLU A 17 -8.781 -10.088 -6.182 1.00 20.31 O ATOM 219 CB GLU A 17 -5.918 -8.951 -5.456 1.00 43.23 C ATOM 220 CG GLU A 17 -4.628 -9.753 -5.460 1.00 15.13 C ATOM 221 CD GLU A 17 -4.282 -10.311 -4.093 1.00 20.32 C ATOM 222 OE1 GLU A 17 -4.496 -9.597 -3.091 1.00 63.23 O ATOM 223 OE2 GLU A 17 -3.797 -11.459 -4.025 1.00 10.14 O ATOM 0 H GLU A 17 -5.678 -7.271 -7.242 1.00 21.44 H new ATOM 0 HA GLU A 17 -6.442 -9.968 -7.276 1.00 13.22 H new ATOM 0 HB2 GLU A 17 -5.685 -7.906 -5.251 1.00 43.23 H new ATOM 0 HB3 GLU A 17 -6.551 -9.302 -4.641 1.00 43.23 H new ATOM 0 HG2 GLU A 17 -4.718 -10.574 -6.171 1.00 15.13 H new ATOM 0 HG3 GLU A 17 -3.812 -9.119 -5.806 1.00 15.13 H new ATOM 230 N LYS A 18 -8.817 -7.873 -6.572 1.00 11.44 N ATOM 231 CA LYS A 18 -10.247 -7.741 -6.323 1.00 71.01 C ATOM 232 C LYS A 18 -11.057 -8.284 -7.497 1.00 12.32 C ATOM 233 O LYS A 18 -11.975 -9.083 -7.313 1.00 11.01 O ATOM 234 CB LYS A 18 -10.610 -6.274 -6.076 1.00 54.20 C ATOM 235 CG LYS A 18 -11.474 -6.061 -4.845 1.00 41.22 C ATOM 236 CD LYS A 18 -12.888 -5.649 -5.221 1.00 2.32 C ATOM 237 CE LYS A 18 -13.015 -4.137 -5.336 1.00 51.44 C ATOM 238 NZ LYS A 18 -12.393 -3.622 -6.587 1.00 1.21 N ATOM 0 H LYS A 18 -8.350 -7.000 -6.817 1.00 11.44 H new ATOM 0 HA LYS A 18 -10.490 -8.324 -5.435 1.00 71.01 H new ATOM 0 HB2 LYS A 18 -9.693 -5.694 -5.971 1.00 54.20 H new ATOM 0 HB3 LYS A 18 -11.134 -5.886 -6.949 1.00 54.20 H new ATOM 0 HG2 LYS A 18 -11.505 -6.979 -4.258 1.00 41.22 H new ATOM 0 HG3 LYS A 18 -11.026 -5.294 -4.213 1.00 41.22 H new ATOM 0 HD2 LYS A 18 -13.163 -6.112 -6.169 1.00 2.32 H new ATOM 0 HD3 LYS A 18 -13.588 -6.018 -4.471 1.00 2.32 H new ATOM 0 HE2 LYS A 18 -14.068 -3.858 -5.313 1.00 51.44 H new ATOM 0 HE3 LYS A 18 -12.542 -3.666 -4.474 1.00 51.44 H new ATOM 0 HZ1 LYS A 18 -12.645 -2.621 -6.713 1.00 1.21 H new ATOM 0 HZ2 LYS A 18 -11.359 -3.714 -6.524 1.00 1.21 H new ATOM 0 HZ3 LYS A 18 -12.740 -4.171 -7.399 1.00 1.21 H new ATOM 252 N ILE A 19 -10.708 -7.847 -8.702 1.00 23.32 N ATOM 253 CA ILE A 19 -11.400 -8.292 -9.906 1.00 65.43 C ATOM 254 C ILE A 19 -11.471 -9.814 -9.968 1.00 44.30 C ATOM 255 O ILE A 19 -10.519 -10.504 -9.605 1.00 74.23 O ATOM 256 CB ILE A 19 -10.710 -7.768 -11.178 1.00 12.42 C ATOM 257 CG1 ILE A 19 -10.643 -6.240 -11.158 1.00 70.32 C ATOM 258 CG2 ILE A 19 -11.445 -8.255 -12.418 1.00 33.23 C ATOM 259 CD1 ILE A 19 -9.283 -5.689 -11.523 1.00 43.31 C ATOM 0 H ILE A 19 -9.950 -7.185 -8.871 1.00 23.32 H new ATOM 0 HA ILE A 19 -12.410 -7.886 -9.858 1.00 65.43 H new ATOM 0 HB ILE A 19 -9.692 -8.156 -11.206 1.00 12.42 H new ATOM 0 HG12 ILE A 19 -11.385 -5.843 -11.851 1.00 70.32 H new ATOM 0 HG13 ILE A 19 -10.914 -5.886 -10.164 1.00 70.32 H new ATOM 0 HG21 ILE A 19 -10.945 -7.876 -13.309 1.00 33.23 H new ATOM 0 HG22 ILE A 19 -11.444 -9.345 -12.437 1.00 33.23 H new ATOM 0 HG23 ILE A 19 -12.473 -7.893 -12.397 1.00 33.23 H new ATOM 0 HD11 ILE A 19 -9.310 -4.600 -11.488 1.00 43.31 H new ATOM 0 HD12 ILE A 19 -8.540 -6.056 -10.815 1.00 43.31 H new ATOM 0 HD13 ILE A 19 -9.017 -6.013 -12.529 1.00 43.31 H new ATOM 271 N ARG A 20 -12.605 -10.329 -10.431 1.00 31.24 N ATOM 272 CA ARG A 20 -12.800 -11.770 -10.543 1.00 21.00 C ATOM 273 C ARG A 20 -12.789 -12.209 -12.004 1.00 11.03 C ATOM 274 O ARG A 20 -13.208 -11.463 -12.890 1.00 12.24 O ATOM 275 CB ARG A 20 -14.120 -12.179 -9.886 1.00 1.22 C ATOM 276 CG ARG A 20 -14.182 -11.867 -8.400 1.00 51.00 C ATOM 277 CD ARG A 20 -15.404 -12.497 -7.750 1.00 64.24 C ATOM 278 NE ARG A 20 -16.171 -11.528 -6.970 1.00 11.12 N ATOM 279 CZ ARG A 20 -16.950 -10.599 -7.514 1.00 42.31 C ATOM 280 NH1 ARG A 20 -17.066 -10.515 -8.832 1.00 14.25 N ATOM 281 NH2 ARG A 20 -17.615 -9.753 -6.738 1.00 30.43 N ATOM 0 H ARG A 20 -13.403 -9.770 -10.735 1.00 31.24 H new ATOM 0 HA ARG A 20 -11.976 -12.264 -10.028 1.00 21.00 H new ATOM 0 HB2 ARG A 20 -14.941 -11.669 -10.390 1.00 1.22 H new ATOM 0 HB3 ARG A 20 -14.272 -13.249 -10.031 1.00 1.22 H new ATOM 0 HG2 ARG A 20 -13.279 -12.234 -7.912 1.00 51.00 H new ATOM 0 HG3 ARG A 20 -14.207 -10.787 -8.254 1.00 51.00 H new ATOM 0 HD2 ARG A 20 -16.043 -12.928 -8.521 1.00 64.24 H new ATOM 0 HD3 ARG A 20 -15.089 -13.315 -7.102 1.00 64.24 H new ATOM 0 HE ARG A 20 -16.105 -11.567 -5.953 1.00 11.12 H new ATOM 0 HH11 ARG A 20 -16.557 -11.164 -9.431 1.00 14.25 H new ATOM 0 HH12 ARG A 20 -17.665 -9.801 -9.247 1.00 14.25 H new ATOM 0 HH21 ARG A 20 -17.528 -9.816 -5.724 1.00 30.43 H new ATOM 0 HH22 ARG A 20 -18.213 -9.040 -7.156 1.00 30.43 H new ATOM 295 N LEU A 21 -12.307 -13.422 -12.247 1.00 32.33 N ATOM 296 CA LEU A 21 -12.242 -13.961 -13.601 1.00 14.13 C ATOM 297 C LEU A 21 -13.625 -13.995 -14.243 1.00 3.21 C ATOM 298 O LEU A 21 -13.768 -13.784 -15.447 1.00 13.11 O ATOM 299 CB LEU A 21 -11.642 -15.368 -13.583 1.00 52.33 C ATOM 300 CG LEU A 21 -10.317 -15.524 -12.835 1.00 44.12 C ATOM 301 CD1 LEU A 21 -10.137 -16.957 -12.359 1.00 62.12 C ATOM 302 CD2 LEU A 21 -9.153 -15.102 -13.718 1.00 14.02 C ATOM 0 H LEU A 21 -11.956 -14.051 -11.525 1.00 32.33 H new ATOM 0 HA LEU A 21 -11.603 -13.307 -14.194 1.00 14.13 H new ATOM 0 HB2 LEU A 21 -12.370 -16.046 -13.137 1.00 52.33 H new ATOM 0 HB3 LEU A 21 -11.495 -15.692 -14.613 1.00 52.33 H new ATOM 0 HG LEU A 21 -10.337 -14.874 -11.961 1.00 44.12 H new ATOM 0 HD11 LEU A 21 -9.189 -17.048 -11.829 1.00 62.12 H new ATOM 0 HD12 LEU A 21 -10.954 -17.223 -11.689 1.00 62.12 H new ATOM 0 HD13 LEU A 21 -10.139 -17.629 -13.218 1.00 62.12 H new ATOM 0 HD21 LEU A 21 -8.219 -15.220 -13.169 1.00 14.02 H new ATOM 0 HD22 LEU A 21 -9.130 -15.725 -14.612 1.00 14.02 H new ATOM 0 HD23 LEU A 21 -9.275 -14.058 -14.007 1.00 14.02 H new ATOM 314 N ARG A 22 -14.642 -14.258 -13.429 1.00 73.35 N ATOM 315 CA ARG A 22 -16.015 -14.318 -13.917 1.00 54.24 C ATOM 316 C ARG A 22 -16.950 -13.529 -13.006 1.00 52.03 C ATOM 317 O ARG A 22 -16.642 -13.255 -11.846 1.00 62.33 O ATOM 318 CB ARG A 22 -16.483 -15.771 -14.009 1.00 34.22 C ATOM 319 CG ARG A 22 -16.513 -16.313 -15.430 1.00 4.33 C ATOM 320 CD ARG A 22 -17.801 -17.070 -15.711 1.00 70.14 C ATOM 321 NE ARG A 22 -17.663 -17.985 -16.841 1.00 21.22 N ATOM 322 CZ ARG A 22 -17.619 -17.585 -18.108 1.00 75.25 C ATOM 323 NH1 ARG A 22 -17.701 -16.296 -18.402 1.00 32.23 N ATOM 324 NH2 ARG A 22 -17.491 -18.478 -19.081 1.00 72.12 N ATOM 0 H ARG A 22 -14.541 -14.433 -12.429 1.00 73.35 H new ATOM 0 HA ARG A 22 -16.041 -13.871 -14.911 1.00 54.24 H new ATOM 0 HB2 ARG A 22 -15.824 -16.395 -13.405 1.00 34.22 H new ATOM 0 HB3 ARG A 22 -17.481 -15.850 -13.578 1.00 34.22 H new ATOM 0 HG2 ARG A 22 -16.412 -15.489 -16.137 1.00 4.33 H new ATOM 0 HG3 ARG A 22 -15.660 -16.973 -15.587 1.00 4.33 H new ATOM 0 HD2 ARG A 22 -18.092 -17.632 -14.823 1.00 70.14 H new ATOM 0 HD3 ARG A 22 -18.602 -16.359 -15.916 1.00 70.14 H new ATOM 0 HE ARG A 22 -17.597 -18.984 -16.648 1.00 21.22 H new ATOM 0 HH11 ARG A 22 -17.798 -15.608 -17.655 1.00 32.23 H new ATOM 0 HH12 ARG A 22 -17.667 -15.992 -19.375 1.00 32.23 H new ATOM 0 HH21 ARG A 22 -17.426 -19.471 -18.857 1.00 72.12 H new ATOM 0 HH22 ARG A 22 -17.457 -18.172 -20.053 1.00 72.12 H new ATOM 338 N PRO A 23 -18.122 -13.153 -13.541 1.00 0.43 N ATOM 339 CA PRO A 23 -19.125 -12.390 -12.794 1.00 22.40 C ATOM 340 C PRO A 23 -19.782 -13.218 -11.694 1.00 31.54 C ATOM 341 O PRO A 23 -20.052 -12.716 -10.604 1.00 70.01 O ATOM 342 CB PRO A 23 -20.152 -12.011 -13.864 1.00 75.20 C ATOM 343 CG PRO A 23 -20.009 -13.059 -14.914 1.00 11.00 C ATOM 344 CD PRO A 23 -18.556 -13.445 -14.918 1.00 1.42 C ATOM 0 HA PRO A 23 -18.687 -11.533 -12.282 1.00 22.40 H new ATOM 0 HB2 PRO A 23 -21.162 -11.995 -13.455 1.00 75.20 H new ATOM 0 HB3 PRO A 23 -19.956 -11.017 -14.267 1.00 75.20 H new ATOM 0 HG2 PRO A 23 -20.641 -13.920 -14.695 1.00 11.00 H new ATOM 0 HG3 PRO A 23 -20.315 -12.679 -15.889 1.00 11.00 H new ATOM 0 HD2 PRO A 23 -18.420 -14.497 -15.167 1.00 1.42 H new ATOM 0 HD3 PRO A 23 -17.989 -12.868 -15.649 1.00 1.42 H new ATOM 352 N GLY A 24 -20.037 -14.489 -11.989 1.00 70.24 N ATOM 353 CA GLY A 24 -20.660 -15.366 -11.015 1.00 41.03 C ATOM 354 C GLY A 24 -19.724 -16.456 -10.532 1.00 34.34 C ATOM 355 O GLY A 24 -20.140 -17.595 -10.326 1.00 31.40 O ATOM 0 H GLY A 24 -19.823 -14.927 -12.885 1.00 70.24 H new ATOM 0 HA2 GLY A 24 -20.996 -14.776 -10.162 1.00 41.03 H new ATOM 0 HA3 GLY A 24 -21.546 -15.822 -11.456 1.00 41.03 H new ATOM 359 N GLY A 25 -18.453 -16.107 -10.356 1.00 33.33 N ATOM 360 CA GLY A 25 -17.474 -17.076 -9.899 1.00 62.02 C ATOM 361 C GLY A 25 -16.960 -16.769 -8.507 1.00 43.22 C ATOM 362 O GLY A 25 -17.338 -15.763 -7.905 1.00 41.24 O ATOM 0 H GLY A 25 -18.084 -15.171 -10.522 1.00 33.33 H new ATOM 0 HA2 GLY A 25 -17.921 -18.070 -9.907 1.00 62.02 H new ATOM 0 HA3 GLY A 25 -16.636 -17.097 -10.596 1.00 62.02 H new ATOM 366 N LYS A 26 -16.096 -17.637 -7.992 1.00 14.11 N ATOM 367 CA LYS A 26 -15.529 -17.455 -6.661 1.00 4.43 C ATOM 368 C LYS A 26 -14.007 -17.545 -6.702 1.00 54.43 C ATOM 369 O LYS A 26 -13.368 -17.896 -5.710 1.00 41.14 O ATOM 370 CB LYS A 26 -16.087 -18.505 -5.698 1.00 63.13 C ATOM 371 CG LYS A 26 -16.129 -18.042 -4.252 1.00 0.41 C ATOM 372 CD LYS A 26 -16.963 -18.976 -3.391 1.00 23.41 C ATOM 373 CE LYS A 26 -18.049 -18.221 -2.640 1.00 10.41 C ATOM 374 NZ LYS A 26 -17.555 -17.687 -1.340 1.00 14.34 N ATOM 0 H LYS A 26 -15.773 -18.474 -8.477 1.00 14.11 H new ATOM 0 HA LYS A 26 -15.808 -16.462 -6.307 1.00 4.43 H new ATOM 0 HB2 LYS A 26 -17.094 -18.776 -6.013 1.00 63.13 H new ATOM 0 HB3 LYS A 26 -15.478 -19.407 -5.765 1.00 63.13 H new ATOM 0 HG2 LYS A 26 -15.115 -17.990 -3.856 1.00 0.41 H new ATOM 0 HG3 LYS A 26 -16.543 -17.035 -4.203 1.00 0.41 H new ATOM 0 HD2 LYS A 26 -17.419 -19.742 -4.019 1.00 23.41 H new ATOM 0 HD3 LYS A 26 -16.317 -19.490 -2.679 1.00 23.41 H new ATOM 0 HE2 LYS A 26 -18.412 -17.398 -3.256 1.00 10.41 H new ATOM 0 HE3 LYS A 26 -18.896 -18.884 -2.462 1.00 10.41 H new ATOM 0 HZ1 LYS A 26 -18.324 -17.179 -0.858 1.00 14.34 H new ATOM 0 HZ2 LYS A 26 -17.232 -18.474 -0.742 1.00 14.34 H new ATOM 0 HZ3 LYS A 26 -16.763 -17.035 -1.511 1.00 14.34 H new ATOM 388 N LYS A 27 -13.430 -17.224 -7.855 1.00 32.40 N ATOM 389 CA LYS A 27 -11.982 -17.266 -8.025 1.00 33.23 C ATOM 390 C LYS A 27 -11.448 -15.911 -8.474 1.00 2.14 C ATOM 391 O LYS A 27 -11.303 -15.656 -9.670 1.00 44.32 O ATOM 392 CB LYS A 27 -11.599 -18.341 -9.045 1.00 11.25 C ATOM 393 CG LYS A 27 -10.182 -18.862 -8.876 1.00 73.20 C ATOM 394 CD LYS A 27 -10.000 -20.210 -9.553 1.00 74.33 C ATOM 395 CE LYS A 27 -8.681 -20.282 -10.307 1.00 11.13 C ATOM 396 NZ LYS A 27 -8.324 -21.682 -10.669 1.00 2.22 N ATOM 0 H LYS A 27 -13.943 -16.932 -8.686 1.00 32.40 H new ATOM 0 HA LYS A 27 -11.535 -17.512 -7.062 1.00 33.23 H new ATOM 0 HB2 LYS A 27 -12.296 -19.175 -8.961 1.00 11.25 H new ATOM 0 HB3 LYS A 27 -11.710 -17.933 -10.050 1.00 11.25 H new ATOM 0 HG2 LYS A 27 -9.477 -18.145 -9.296 1.00 73.20 H new ATOM 0 HG3 LYS A 27 -9.951 -18.952 -7.815 1.00 73.20 H new ATOM 0 HD2 LYS A 27 -10.036 -21.002 -8.805 1.00 74.33 H new ATOM 0 HD3 LYS A 27 -10.825 -20.386 -10.243 1.00 74.33 H new ATOM 0 HE2 LYS A 27 -8.747 -19.678 -11.212 1.00 11.13 H new ATOM 0 HE3 LYS A 27 -7.889 -19.852 -9.694 1.00 11.13 H new ATOM 0 HZ1 LYS A 27 -7.419 -21.688 -11.181 1.00 2.22 H new ATOM 0 HZ2 LYS A 27 -8.236 -22.253 -9.804 1.00 2.22 H new ATOM 0 HZ3 LYS A 27 -9.067 -22.084 -11.275 1.00 2.22 H new ATOM 410 N GLN A 28 -11.156 -15.045 -7.508 1.00 0.52 N ATOM 411 CA GLN A 28 -10.637 -13.716 -7.806 1.00 51.31 C ATOM 412 C GLN A 28 -9.378 -13.802 -8.664 1.00 60.55 C ATOM 413 O GLN A 28 -8.881 -14.892 -8.945 1.00 54.44 O ATOM 414 CB GLN A 28 -10.333 -12.962 -6.510 1.00 60.34 C ATOM 415 CG GLN A 28 -11.475 -12.993 -5.506 1.00 20.33 C ATOM 416 CD GLN A 28 -11.089 -13.664 -4.203 1.00 24.35 C ATOM 417 OE1 GLN A 28 -10.316 -14.622 -4.190 1.00 22.53 O ATOM 418 NE2 GLN A 28 -11.626 -13.161 -3.097 1.00 73.42 N ATOM 0 H GLN A 28 -11.270 -15.240 -6.513 1.00 0.52 H new ATOM 0 HA GLN A 28 -11.399 -13.173 -8.365 1.00 51.31 H new ATOM 0 HB2 GLN A 28 -9.443 -13.392 -6.049 1.00 60.34 H new ATOM 0 HB3 GLN A 28 -10.099 -11.925 -6.749 1.00 60.34 H new ATOM 0 HG2 GLN A 28 -11.802 -11.973 -5.302 1.00 20.33 H new ATOM 0 HG3 GLN A 28 -12.324 -13.519 -5.943 1.00 20.33 H new ATOM 0 HE21 GLN A 28 -12.262 -12.366 -3.155 1.00 73.42 H new ATOM 0 HE22 GLN A 28 -11.402 -13.570 -2.190 1.00 73.42 H new ATOM 427 N TYR A 29 -8.870 -12.646 -9.077 1.00 52.11 N ATOM 428 CA TYR A 29 -7.672 -12.591 -9.905 1.00 13.32 C ATOM 429 C TYR A 29 -6.412 -12.636 -9.045 1.00 20.02 C ATOM 430 O TYR A 29 -6.407 -12.166 -7.907 1.00 55.53 O ATOM 431 CB TYR A 29 -7.675 -11.323 -10.761 1.00 53.13 C ATOM 432 CG TYR A 29 -8.141 -11.552 -12.180 1.00 71.40 C ATOM 433 CD1 TYR A 29 -7.297 -12.118 -13.127 1.00 35.24 C ATOM 434 CD2 TYR A 29 -9.426 -11.200 -12.575 1.00 63.01 C ATOM 435 CE1 TYR A 29 -7.720 -12.328 -14.426 1.00 3.44 C ATOM 436 CE2 TYR A 29 -9.857 -11.407 -13.871 1.00 74.44 C ATOM 437 CZ TYR A 29 -9.000 -11.972 -14.793 1.00 61.12 C ATOM 438 OH TYR A 29 -9.425 -12.179 -16.086 1.00 65.01 O ATOM 0 H TYR A 29 -9.269 -11.735 -8.852 1.00 52.11 H new ATOM 0 HA TYR A 29 -7.674 -13.462 -10.560 1.00 13.32 H new ATOM 0 HB2 TYR A 29 -8.319 -10.579 -10.292 1.00 53.13 H new ATOM 0 HB3 TYR A 29 -6.668 -10.906 -10.781 1.00 53.13 H new ATOM 0 HD1 TYR A 29 -6.293 -12.399 -12.844 1.00 35.24 H new ATOM 0 HD2 TYR A 29 -10.099 -10.757 -11.856 1.00 63.01 H new ATOM 0 HE1 TYR A 29 -7.051 -12.769 -15.150 1.00 3.44 H new ATOM 0 HE2 TYR A 29 -10.859 -11.128 -14.161 1.00 74.44 H new ATOM 0 HH TYR A 29 -10.382 -11.978 -16.152 1.00 65.01 H new ATOM 448 N LYS A 30 -5.345 -13.202 -9.599 1.00 31.03 N ATOM 449 CA LYS A 30 -4.078 -13.306 -8.886 1.00 14.53 C ATOM 450 C LYS A 30 -2.902 -13.246 -9.855 1.00 3.11 C ATOM 451 O LYS A 30 -3.076 -13.374 -11.067 1.00 31.24 O ATOM 452 CB LYS A 30 -4.025 -14.610 -8.085 1.00 24.32 C ATOM 453 CG LYS A 30 -3.970 -14.398 -6.582 1.00 31.35 C ATOM 454 CD LYS A 30 -2.756 -15.075 -5.968 1.00 12.12 C ATOM 455 CE LYS A 30 -3.077 -15.663 -4.603 1.00 34.53 C ATOM 456 NZ LYS A 30 -3.680 -17.021 -4.713 1.00 1.30 N ATOM 0 H LYS A 30 -5.333 -13.596 -10.540 1.00 31.03 H new ATOM 0 HA LYS A 30 -4.006 -12.462 -8.200 1.00 14.53 H new ATOM 0 HB2 LYS A 30 -4.901 -15.211 -8.327 1.00 24.32 H new ATOM 0 HB3 LYS A 30 -3.151 -15.182 -8.395 1.00 24.32 H new ATOM 0 HG2 LYS A 30 -3.941 -13.330 -6.365 1.00 31.35 H new ATOM 0 HG3 LYS A 30 -4.878 -14.792 -6.125 1.00 31.35 H new ATOM 0 HD2 LYS A 30 -2.404 -15.865 -6.632 1.00 12.12 H new ATOM 0 HD3 LYS A 30 -1.945 -14.353 -5.873 1.00 12.12 H new ATOM 0 HE2 LYS A 30 -2.166 -15.717 -4.007 1.00 34.53 H new ATOM 0 HE3 LYS A 30 -3.764 -15.002 -4.075 1.00 34.53 H new ATOM 0 HZ1 LYS A 30 -3.885 -17.388 -3.762 1.00 1.30 H new ATOM 0 HZ2 LYS A 30 -4.563 -16.966 -5.260 1.00 1.30 H new ATOM 0 HZ3 LYS A 30 -3.014 -17.659 -5.194 1.00 1.30 H new ATOM 470 N LEU A 31 -1.704 -13.051 -9.313 1.00 32.13 N ATOM 471 CA LEU A 31 -0.498 -12.975 -10.131 1.00 32.53 C ATOM 472 C LEU A 31 -0.391 -14.183 -11.057 1.00 44.43 C ATOM 473 O LEU A 31 0.173 -14.094 -12.148 1.00 34.22 O ATOM 474 CB LEU A 31 0.741 -12.890 -9.239 1.00 51.50 C ATOM 475 CG LEU A 31 1.286 -11.485 -8.978 1.00 11.00 C ATOM 476 CD1 LEU A 31 1.850 -11.383 -7.569 1.00 34.51 C ATOM 477 CD2 LEU A 31 2.349 -11.126 -10.007 1.00 70.21 C ATOM 0 H LEU A 31 -1.542 -12.943 -8.312 1.00 32.13 H new ATOM 0 HA LEU A 31 -0.560 -12.076 -10.744 1.00 32.53 H new ATOM 0 HB2 LEU A 31 0.505 -13.351 -8.280 1.00 51.50 H new ATOM 0 HB3 LEU A 31 1.532 -13.486 -9.693 1.00 51.50 H new ATOM 0 HG LEU A 31 0.464 -10.775 -9.070 1.00 11.00 H new ATOM 0 HD11 LEU A 31 2.233 -10.376 -7.402 1.00 34.51 H new ATOM 0 HD12 LEU A 31 1.063 -11.596 -6.846 1.00 34.51 H new ATOM 0 HD13 LEU A 31 2.659 -12.103 -7.448 1.00 34.51 H new ATOM 0 HD21 LEU A 31 2.726 -10.123 -9.806 1.00 70.21 H new ATOM 0 HD22 LEU A 31 3.170 -11.841 -9.947 1.00 70.21 H new ATOM 0 HD23 LEU A 31 1.914 -11.157 -11.006 1.00 70.21 H new ATOM 489 N LYS A 32 -0.937 -15.310 -10.615 1.00 33.34 N ATOM 490 CA LYS A 32 -0.907 -16.536 -11.405 1.00 65.33 C ATOM 491 C LYS A 32 -1.431 -16.288 -12.816 1.00 62.12 C ATOM 492 O LYS A 32 -0.939 -16.868 -13.783 1.00 14.44 O ATOM 493 CB LYS A 32 -1.739 -17.626 -10.725 1.00 5.32 C ATOM 494 CG LYS A 32 -1.260 -19.035 -11.029 1.00 2.02 C ATOM 495 CD LYS A 32 -1.430 -19.952 -9.830 1.00 53.34 C ATOM 496 CE LYS A 32 -0.562 -21.195 -9.951 1.00 11.53 C ATOM 497 NZ LYS A 32 0.572 -21.176 -8.986 1.00 40.32 N ATOM 0 H LYS A 32 -1.406 -15.401 -9.714 1.00 33.34 H new ATOM 0 HA LYS A 32 0.129 -16.868 -11.474 1.00 65.33 H new ATOM 0 HB2 LYS A 32 -1.717 -17.469 -9.647 1.00 5.32 H new ATOM 0 HB3 LYS A 32 -2.778 -17.528 -11.040 1.00 5.32 H new ATOM 0 HG2 LYS A 32 -1.817 -19.435 -11.876 1.00 2.02 H new ATOM 0 HG3 LYS A 32 -0.210 -19.008 -11.322 1.00 2.02 H new ATOM 0 HD2 LYS A 32 -1.170 -19.413 -8.919 1.00 53.34 H new ATOM 0 HD3 LYS A 32 -2.476 -20.245 -9.740 1.00 53.34 H new ATOM 0 HE2 LYS A 32 -1.172 -22.082 -9.778 1.00 11.53 H new ATOM 0 HE3 LYS A 32 -0.173 -21.269 -10.967 1.00 11.53 H new ATOM 0 HZ1 LYS A 32 1.140 -22.040 -9.100 1.00 40.32 H new ATOM 0 HZ2 LYS A 32 1.168 -20.344 -9.167 1.00 40.32 H new ATOM 0 HZ3 LYS A 32 0.201 -21.131 -8.015 1.00 40.32 H new ATOM 511 N HIS A 33 -2.432 -15.420 -12.926 1.00 44.02 N ATOM 512 CA HIS A 33 -3.023 -15.093 -14.219 1.00 20.12 C ATOM 513 C HIS A 33 -2.144 -14.105 -14.982 1.00 1.42 C ATOM 514 O HIS A 33 -2.090 -14.226 -16.207 1.00 45.32 O ATOM 515 CB HIS A 33 -4.423 -14.508 -14.032 1.00 20.12 C ATOM 516 CG HIS A 33 -5.283 -15.302 -13.098 1.00 60.12 C ATOM 517 ND1 HIS A 33 -5.960 -14.740 -12.036 1.00 12.44 N ATOM 518 CD2 HIS A 33 -5.577 -16.623 -13.072 1.00 21.40 C ATOM 519 CE1 HIS A 33 -6.631 -15.681 -11.397 1.00 42.40 C ATOM 520 NE2 HIS A 33 -6.416 -16.833 -12.006 1.00 50.52 N ATOM 0 H HIS A 33 -2.851 -14.930 -12.135 1.00 44.02 H new ATOM 0 HA HIS A 33 -3.097 -16.012 -14.800 1.00 20.12 H new ATOM 0 HB2 HIS A 33 -4.335 -13.489 -13.654 1.00 20.12 H new ATOM 0 HB3 HIS A 33 -4.915 -14.447 -15.003 1.00 20.12 H new ATOM 0 HD2 HIS A 33 -5.218 -17.373 -13.762 1.00 21.40 H new ATOM 0 HE1 HIS A 33 -7.250 -15.534 -10.525 1.00 42.40 H new ATOM 0 HE2 HIS A 33 -6.809 -17.732 -11.729 1.00 50.52 H new ATOM 528 N ILE A 34 -1.480 -13.166 -14.317 1.00 53.24 N ATOM 529 CA ILE A 34 -0.628 -12.202 -15.002 1.00 73.44 C ATOM 530 C ILE A 34 0.592 -12.883 -15.612 1.00 73.40 C ATOM 531 O ILE A 34 1.041 -12.519 -16.700 1.00 54.12 O ATOM 532 CB ILE A 34 -0.157 -11.089 -14.048 1.00 62.12 C ATOM 533 CG1 ILE A 34 -1.349 -10.493 -13.297 1.00 62.10 C ATOM 534 CG2 ILE A 34 0.583 -10.008 -14.821 1.00 44.30 C ATOM 535 CD1 ILE A 34 -0.960 -9.432 -12.291 1.00 63.41 C ATOM 0 H ILE A 34 -1.516 -13.052 -13.304 1.00 53.24 H new ATOM 0 HA ILE A 34 -1.229 -11.758 -15.796 1.00 73.44 H new ATOM 0 HB ILE A 34 0.528 -11.521 -13.319 1.00 62.12 H new ATOM 0 HG12 ILE A 34 -2.043 -10.062 -14.018 1.00 62.10 H new ATOM 0 HG13 ILE A 34 -1.881 -11.293 -12.782 1.00 62.10 H new ATOM 0 HG21 ILE A 34 0.910 -9.228 -14.133 1.00 44.30 H new ATOM 0 HG22 ILE A 34 1.452 -10.444 -15.315 1.00 44.30 H new ATOM 0 HG23 ILE A 34 -0.081 -9.577 -15.570 1.00 44.30 H new ATOM 0 HD11 ILE A 34 -1.855 -9.054 -11.796 1.00 63.41 H new ATOM 0 HD12 ILE A 34 -0.290 -9.864 -11.548 1.00 63.41 H new ATOM 0 HD13 ILE A 34 -0.455 -8.613 -12.803 1.00 63.41 H new ATOM 547 N VAL A 35 1.125 -13.876 -14.906 1.00 22.34 N ATOM 548 CA VAL A 35 2.291 -14.610 -15.379 1.00 15.43 C ATOM 549 C VAL A 35 1.899 -15.656 -16.417 1.00 32.13 C ATOM 550 O VAL A 35 2.622 -15.885 -17.386 1.00 22.53 O ATOM 551 CB VAL A 35 3.025 -15.306 -14.218 1.00 14.30 C ATOM 552 CG1 VAL A 35 4.221 -16.092 -14.736 1.00 72.25 C ATOM 553 CG2 VAL A 35 3.459 -14.287 -13.175 1.00 44.12 C ATOM 0 H VAL A 35 0.767 -14.190 -14.004 1.00 22.34 H new ATOM 0 HA VAL A 35 2.959 -13.881 -15.837 1.00 15.43 H new ATOM 0 HB VAL A 35 2.337 -16.007 -13.745 1.00 14.30 H new ATOM 0 HG11 VAL A 35 4.727 -16.577 -13.901 1.00 72.25 H new ATOM 0 HG12 VAL A 35 3.881 -16.849 -15.443 1.00 72.25 H new ATOM 0 HG13 VAL A 35 4.913 -15.414 -15.236 1.00 72.25 H new ATOM 0 HG21 VAL A 35 3.976 -14.796 -12.362 1.00 44.12 H new ATOM 0 HG22 VAL A 35 4.130 -13.561 -13.633 1.00 44.12 H new ATOM 0 HG23 VAL A 35 2.582 -13.773 -12.782 1.00 44.12 H new ATOM 563 N TRP A 36 0.750 -16.288 -16.206 1.00 24.43 N ATOM 564 CA TRP A 36 0.260 -17.310 -17.125 1.00 4.41 C ATOM 565 C TRP A 36 0.175 -16.767 -18.548 1.00 73.02 C ATOM 566 O TRP A 36 0.434 -17.487 -19.512 1.00 72.31 O ATOM 567 CB TRP A 36 -1.112 -17.813 -16.675 1.00 33.31 C ATOM 568 CG TRP A 36 -1.755 -18.745 -17.658 1.00 0.01 C ATOM 569 CD1 TRP A 36 -1.767 -20.109 -17.607 1.00 44.55 C ATOM 570 CD2 TRP A 36 -2.476 -18.379 -18.840 1.00 64.21 C ATOM 571 NE1 TRP A 36 -2.452 -20.614 -18.685 1.00 23.43 N ATOM 572 CE2 TRP A 36 -2.898 -19.573 -19.456 1.00 0.32 C ATOM 573 CE3 TRP A 36 -2.809 -17.159 -19.436 1.00 74.02 C ATOM 574 CZ2 TRP A 36 -3.633 -19.580 -20.639 1.00 75.34 C ATOM 575 CZ3 TRP A 36 -3.538 -17.169 -20.609 1.00 1.32 C ATOM 576 CH2 TRP A 36 -3.944 -18.372 -21.200 1.00 73.52 C ATOM 0 H TRP A 36 0.140 -16.111 -15.408 1.00 24.43 H new ATOM 0 HA TRP A 36 0.965 -18.141 -17.115 1.00 4.41 H new ATOM 0 HB2 TRP A 36 -1.008 -18.322 -15.717 1.00 33.31 H new ATOM 0 HB3 TRP A 36 -1.769 -16.959 -16.512 1.00 33.31 H new ATOM 0 HD1 TRP A 36 -1.306 -20.704 -16.833 1.00 44.55 H new ATOM 0 HE1 TRP A 36 -2.604 -21.604 -18.880 1.00 23.43 H new ATOM 0 HE3 TRP A 36 -2.502 -16.226 -18.987 1.00 74.02 H new ATOM 0 HZ2 TRP A 36 -3.946 -20.506 -21.097 1.00 75.34 H new ATOM 0 HZ3 TRP A 36 -3.800 -16.232 -21.079 1.00 1.32 H new ATOM 0 HH2 TRP A 36 -4.514 -18.345 -22.117 1.00 73.52 H new ATOM 587 N ALA A 37 -0.188 -15.495 -18.671 1.00 13.33 N ATOM 588 CA ALA A 37 -0.303 -14.857 -19.977 1.00 61.15 C ATOM 589 C ALA A 37 1.071 -14.571 -20.572 1.00 2.13 C ATOM 590 O ALA A 37 1.328 -14.874 -21.738 1.00 64.15 O ATOM 591 CB ALA A 37 -1.111 -13.572 -19.866 1.00 41.22 C ATOM 0 H ALA A 37 -0.407 -14.886 -17.883 1.00 13.33 H new ATOM 0 HA ALA A 37 -0.822 -15.544 -20.645 1.00 61.15 H new ATOM 0 HB1 ALA A 37 -1.189 -13.106 -20.848 1.00 41.22 H new ATOM 0 HB2 ALA A 37 -2.109 -13.801 -19.492 1.00 41.22 H new ATOM 0 HB3 ALA A 37 -0.614 -12.888 -19.178 1.00 41.22 H new ATOM 597 N SER A 38 1.951 -13.986 -19.765 1.00 22.54 N ATOM 598 CA SER A 38 3.298 -13.655 -20.215 1.00 60.10 C ATOM 599 C SER A 38 3.978 -14.873 -20.833 1.00 23.42 C ATOM 600 O SER A 38 4.643 -14.769 -21.865 1.00 63.35 O ATOM 601 CB SER A 38 4.133 -13.129 -19.046 1.00 13.13 C ATOM 602 OG SER A 38 3.967 -11.731 -18.889 1.00 64.13 O ATOM 0 H SER A 38 1.755 -13.732 -18.797 1.00 22.54 H new ATOM 0 HA SER A 38 3.221 -12.878 -20.976 1.00 60.10 H new ATOM 0 HB2 SER A 38 3.840 -13.638 -18.128 1.00 13.13 H new ATOM 0 HB3 SER A 38 5.185 -13.357 -19.215 1.00 13.13 H new ATOM 0 HG SER A 38 4.510 -11.420 -18.135 1.00 64.13 H new ATOM 608 N ARG A 39 3.807 -16.027 -20.196 1.00 5.03 N ATOM 609 CA ARG A 39 4.405 -17.264 -20.683 1.00 61.42 C ATOM 610 C ARG A 39 3.832 -17.646 -22.044 1.00 32.11 C ATOM 611 O ARG A 39 4.511 -18.265 -22.862 1.00 73.03 O ATOM 612 CB ARG A 39 4.169 -18.396 -19.682 1.00 61.55 C ATOM 613 CG ARG A 39 4.827 -18.164 -18.332 1.00 5.31 C ATOM 614 CD ARG A 39 6.161 -18.886 -18.230 1.00 13.12 C ATOM 615 NE ARG A 39 5.997 -20.286 -17.847 1.00 2.15 N ATOM 616 CZ ARG A 39 5.615 -20.677 -16.637 1.00 13.10 C ATOM 617 NH1 ARG A 39 5.359 -19.778 -15.697 1.00 44.45 N ATOM 618 NH2 ARG A 39 5.489 -21.970 -16.365 1.00 43.42 N ATOM 0 H ARG A 39 3.259 -16.131 -19.342 1.00 5.03 H new ATOM 0 HA ARG A 39 5.477 -17.102 -20.793 1.00 61.42 H new ATOM 0 HB2 ARG A 39 3.096 -18.523 -19.536 1.00 61.55 H new ATOM 0 HB3 ARG A 39 4.546 -19.327 -20.105 1.00 61.55 H new ATOM 0 HG2 ARG A 39 4.978 -17.095 -18.179 1.00 5.31 H new ATOM 0 HG3 ARG A 39 4.164 -18.509 -17.539 1.00 5.31 H new ATOM 0 HD2 ARG A 39 6.678 -18.830 -19.188 1.00 13.12 H new ATOM 0 HD3 ARG A 39 6.792 -18.381 -17.498 1.00 13.12 H new ATOM 0 HE ARG A 39 6.186 -21.003 -18.548 1.00 2.15 H new ATOM 0 HH11 ARG A 39 5.455 -18.784 -15.903 1.00 44.45 H new ATOM 0 HH12 ARG A 39 5.066 -20.081 -14.768 1.00 44.45 H new ATOM 0 HH21 ARG A 39 5.686 -22.664 -17.086 1.00 43.42 H new ATOM 0 HH22 ARG A 39 5.195 -22.269 -15.435 1.00 43.42 H new ATOM 632 N GLU A 40 2.578 -17.272 -22.279 1.00 33.43 N ATOM 633 CA GLU A 40 1.914 -17.577 -23.541 1.00 14.10 C ATOM 634 C GLU A 40 2.273 -16.547 -24.608 1.00 11.22 C ATOM 635 O GLU A 40 2.321 -16.861 -25.798 1.00 23.00 O ATOM 636 CB GLU A 40 0.396 -17.620 -23.347 1.00 21.05 C ATOM 637 CG GLU A 40 -0.330 -18.425 -24.411 1.00 22.30 C ATOM 638 CD GLU A 40 -0.182 -19.921 -24.214 1.00 40.12 C ATOM 639 OE1 GLU A 40 0.684 -20.332 -23.413 1.00 5.03 O ATOM 640 OE2 GLU A 40 -0.932 -20.682 -24.861 1.00 53.22 O ATOM 0 H GLU A 40 2.002 -16.758 -21.613 1.00 33.43 H new ATOM 0 HA GLU A 40 2.258 -18.556 -23.876 1.00 14.10 H new ATOM 0 HB2 GLU A 40 0.175 -18.045 -22.368 1.00 21.05 H new ATOM 0 HB3 GLU A 40 0.009 -16.601 -23.347 1.00 21.05 H new ATOM 0 HG2 GLU A 40 -1.388 -18.164 -24.400 1.00 22.30 H new ATOM 0 HG3 GLU A 40 0.055 -18.152 -25.393 1.00 22.30 H new ATOM 647 N LEU A 41 2.524 -15.317 -24.173 1.00 71.31 N ATOM 648 CA LEU A 41 2.878 -14.239 -25.090 1.00 60.22 C ATOM 649 C LEU A 41 4.189 -14.544 -25.808 1.00 21.40 C ATOM 650 O LEU A 41 4.280 -14.424 -27.029 1.00 55.21 O ATOM 651 CB LEU A 41 2.994 -12.916 -24.332 1.00 24.12 C ATOM 652 CG LEU A 41 1.706 -12.101 -24.203 1.00 41.20 C ATOM 653 CD1 LEU A 41 1.902 -10.941 -23.240 1.00 74.10 C ATOM 654 CD2 LEU A 41 1.256 -11.595 -25.566 1.00 14.41 C ATOM 0 H LEU A 41 2.489 -15.041 -23.192 1.00 71.31 H new ATOM 0 HA LEU A 41 2.088 -14.155 -25.836 1.00 60.22 H new ATOM 0 HB2 LEU A 41 3.369 -13.126 -23.330 1.00 24.12 H new ATOM 0 HB3 LEU A 41 3.742 -12.299 -24.830 1.00 24.12 H new ATOM 0 HG LEU A 41 0.927 -12.750 -23.803 1.00 41.20 H new ATOM 0 HD11 LEU A 41 0.975 -10.373 -23.161 1.00 74.10 H new ATOM 0 HD12 LEU A 41 2.176 -11.326 -22.258 1.00 74.10 H new ATOM 0 HD13 LEU A 41 2.695 -10.291 -23.610 1.00 74.10 H new ATOM 0 HD21 LEU A 41 0.338 -11.017 -25.455 1.00 14.41 H new ATOM 0 HD22 LEU A 41 2.033 -10.962 -25.994 1.00 14.41 H new ATOM 0 HD23 LEU A 41 1.073 -12.443 -26.227 1.00 14.41 H new ATOM 666 N GLU A 42 5.200 -14.938 -25.040 1.00 73.50 N ATOM 667 CA GLU A 42 6.506 -15.261 -25.604 1.00 73.23 C ATOM 668 C GLU A 42 6.382 -16.332 -26.684 1.00 14.11 C ATOM 669 O GLU A 42 7.214 -16.417 -27.587 1.00 14.30 O ATOM 670 CB GLU A 42 7.457 -15.738 -24.504 1.00 62.50 C ATOM 671 CG GLU A 42 8.524 -14.720 -24.140 1.00 74.04 C ATOM 672 CD GLU A 42 9.924 -15.302 -24.182 1.00 15.13 C ATOM 673 OE1 GLU A 42 10.177 -16.290 -23.460 1.00 35.24 O ATOM 674 OE2 GLU A 42 10.765 -14.771 -24.935 1.00 13.24 O ATOM 0 H GLU A 42 5.140 -15.041 -24.027 1.00 73.50 H new ATOM 0 HA GLU A 42 6.911 -14.357 -26.058 1.00 73.23 H new ATOM 0 HB2 GLU A 42 6.877 -15.979 -23.613 1.00 62.50 H new ATOM 0 HB3 GLU A 42 7.941 -16.659 -24.828 1.00 62.50 H new ATOM 0 HG2 GLU A 42 8.465 -13.876 -24.827 1.00 74.04 H new ATOM 0 HG3 GLU A 42 8.325 -14.333 -23.141 1.00 74.04 H new ATOM 681 N ARG A 43 5.337 -17.147 -26.585 1.00 44.25 N ATOM 682 CA ARG A 43 5.104 -18.213 -27.552 1.00 55.54 C ATOM 683 C ARG A 43 4.605 -17.646 -28.877 1.00 45.00 C ATOM 684 O ARG A 43 4.807 -18.242 -29.935 1.00 43.42 O ATOM 685 CB ARG A 43 4.091 -19.219 -27.000 1.00 13.33 C ATOM 686 CG ARG A 43 4.390 -20.658 -27.387 1.00 30.12 C ATOM 687 CD ARG A 43 4.972 -21.440 -26.219 1.00 1.12 C ATOM 688 NE ARG A 43 5.615 -22.676 -26.655 1.00 74.15 N ATOM 689 CZ ARG A 43 6.426 -23.393 -25.885 1.00 54.00 C ATOM 690 NH1 ARG A 43 6.692 -22.998 -24.648 1.00 14.32 N ATOM 691 NH2 ARG A 43 6.973 -24.508 -26.353 1.00 75.13 N ATOM 0 H ARG A 43 4.638 -17.089 -25.845 1.00 44.25 H new ATOM 0 HA ARG A 43 6.051 -18.722 -27.729 1.00 55.54 H new ATOM 0 HB2 ARG A 43 4.069 -19.141 -25.913 1.00 13.33 H new ATOM 0 HB3 ARG A 43 3.096 -18.954 -27.359 1.00 13.33 H new ATOM 0 HG2 ARG A 43 3.475 -21.141 -27.730 1.00 30.12 H new ATOM 0 HG3 ARG A 43 5.091 -20.673 -28.222 1.00 30.12 H new ATOM 0 HD2 ARG A 43 5.698 -20.820 -25.693 1.00 1.12 H new ATOM 0 HD3 ARG A 43 4.179 -21.675 -25.509 1.00 1.12 H new ATOM 0 HE ARG A 43 5.432 -23.007 -27.602 1.00 74.15 H new ATOM 0 HH11 ARG A 43 6.274 -22.141 -24.285 1.00 14.32 H new ATOM 0 HH12 ARG A 43 7.315 -23.551 -24.059 1.00 14.32 H new ATOM 0 HH21 ARG A 43 6.771 -24.815 -27.304 1.00 75.13 H new ATOM 0 HH22 ARG A 43 7.596 -25.058 -25.761 1.00 75.13 H new ATOM 705 N PHE A 44 3.949 -16.491 -28.810 1.00 14.51 N ATOM 706 CA PHE A 44 3.419 -15.845 -30.005 1.00 25.31 C ATOM 707 C PHE A 44 4.390 -14.790 -30.529 1.00 54.23 C ATOM 708 O PHE A 44 3.986 -13.827 -31.180 1.00 60.54 O ATOM 709 CB PHE A 44 2.065 -15.200 -29.703 1.00 71.53 C ATOM 710 CG PHE A 44 0.943 -16.192 -29.579 1.00 42.14 C ATOM 711 CD1 PHE A 44 0.527 -16.927 -30.677 1.00 23.21 C ATOM 712 CD2 PHE A 44 0.307 -16.391 -28.364 1.00 64.41 C ATOM 713 CE1 PHE A 44 -0.506 -17.839 -30.566 1.00 12.32 C ATOM 714 CE2 PHE A 44 -0.726 -17.302 -28.247 1.00 22.02 C ATOM 715 CZ PHE A 44 -1.131 -18.028 -29.350 1.00 44.11 C ATOM 0 H PHE A 44 3.772 -15.985 -27.942 1.00 14.51 H new ATOM 0 HA PHE A 44 3.289 -16.608 -30.772 1.00 25.31 H new ATOM 0 HB2 PHE A 44 2.141 -14.632 -28.776 1.00 71.53 H new ATOM 0 HB3 PHE A 44 1.825 -14.489 -30.494 1.00 71.53 H new ATOM 0 HD1 PHE A 44 1.015 -16.786 -31.630 1.00 23.21 H new ATOM 0 HD2 PHE A 44 0.622 -15.828 -27.498 1.00 64.41 H new ATOM 0 HE1 PHE A 44 -0.824 -18.403 -31.430 1.00 12.32 H new ATOM 0 HE2 PHE A 44 -1.215 -17.446 -27.295 1.00 22.02 H new ATOM 0 HZ PHE A 44 -1.936 -18.743 -29.261 1.00 44.11 H new ATOM 725 N ALA A 45 5.673 -14.981 -30.240 1.00 11.44 N ATOM 726 CA ALA A 45 6.703 -14.049 -30.683 1.00 33.54 C ATOM 727 C ALA A 45 6.501 -12.672 -30.059 1.00 14.53 C ATOM 728 O ALA A 45 7.003 -11.670 -30.569 1.00 41.42 O ATOM 729 CB ALA A 45 6.704 -13.948 -32.202 1.00 44.04 C ATOM 0 H ALA A 45 6.024 -15.773 -29.701 1.00 11.44 H new ATOM 0 HA ALA A 45 7.670 -14.430 -30.354 1.00 33.54 H new ATOM 0 HB1 ALA A 45 7.478 -13.249 -32.520 1.00 44.04 H new ATOM 0 HB2 ALA A 45 6.903 -14.930 -32.632 1.00 44.04 H new ATOM 0 HB3 ALA A 45 5.732 -13.593 -32.544 1.00 44.04 H new ATOM 735 N VAL A 46 5.765 -12.631 -28.954 1.00 10.23 N ATOM 736 CA VAL A 46 5.499 -11.376 -28.260 1.00 35.42 C ATOM 737 C VAL A 46 6.092 -11.389 -26.856 1.00 61.43 C ATOM 738 O VAL A 46 5.859 -12.316 -26.081 1.00 61.23 O ATOM 739 CB VAL A 46 3.987 -11.098 -28.165 1.00 62.14 C ATOM 740 CG1 VAL A 46 3.728 -9.814 -27.392 1.00 64.41 C ATOM 741 CG2 VAL A 46 3.370 -11.028 -29.553 1.00 13.13 C ATOM 0 H VAL A 46 5.342 -13.451 -28.520 1.00 10.23 H new ATOM 0 HA VAL A 46 5.970 -10.585 -28.843 1.00 35.42 H new ATOM 0 HB VAL A 46 3.517 -11.920 -27.625 1.00 62.14 H new ATOM 0 HG11 VAL A 46 2.655 -9.634 -27.335 1.00 64.41 H new ATOM 0 HG12 VAL A 46 4.134 -9.907 -26.385 1.00 64.41 H new ATOM 0 HG13 VAL A 46 4.209 -8.979 -27.901 1.00 64.41 H new ATOM 0 HG21 VAL A 46 2.301 -10.831 -29.467 1.00 13.13 H new ATOM 0 HG22 VAL A 46 3.842 -10.226 -30.121 1.00 13.13 H new ATOM 0 HG23 VAL A 46 3.524 -11.976 -30.068 1.00 13.13 H new ATOM 751 N ASN A 47 6.858 -10.352 -26.533 1.00 31.23 N ATOM 752 CA ASN A 47 7.485 -10.243 -25.221 1.00 41.31 C ATOM 753 C ASN A 47 6.437 -10.028 -24.134 1.00 21.32 C ATOM 754 O ASN A 47 5.436 -9.337 -24.329 1.00 52.20 O ATOM 755 CB ASN A 47 8.493 -9.093 -25.208 1.00 42.30 C ATOM 756 CG ASN A 47 9.588 -9.271 -26.242 1.00 21.55 C ATOM 757 OD1 ASN A 47 10.400 -10.192 -26.151 1.00 62.24 O ATOM 758 ND2 ASN A 47 9.614 -8.388 -27.234 1.00 61.43 N ATOM 0 H ASN A 47 7.059 -9.575 -27.162 1.00 31.23 H new ATOM 0 HA ASN A 47 8.008 -11.177 -25.017 1.00 41.31 H new ATOM 0 HB2 ASN A 47 7.971 -8.154 -25.394 1.00 42.30 H new ATOM 0 HB3 ASN A 47 8.941 -9.018 -24.217 1.00 42.30 H new ATOM 0 HD21 ASN A 47 10.327 -8.458 -27.960 1.00 61.43 H new ATOM 0 HD22 ASN A 47 8.921 -7.640 -27.270 1.00 61.43 H new ATOM 765 N PRO A 48 6.669 -10.633 -22.959 1.00 31.14 N ATOM 766 CA PRO A 48 5.757 -10.522 -21.817 1.00 41.31 C ATOM 767 C PRO A 48 5.758 -9.123 -21.208 1.00 10.24 C ATOM 768 O PRO A 48 4.940 -8.811 -20.345 1.00 73.24 O ATOM 769 CB PRO A 48 6.314 -11.539 -20.818 1.00 35.23 C ATOM 770 CG PRO A 48 7.757 -11.662 -21.167 1.00 41.31 C ATOM 771 CD PRO A 48 7.841 -11.471 -22.656 1.00 74.45 C ATOM 0 HA PRO A 48 4.722 -10.707 -22.103 1.00 41.31 H new ATOM 0 HB2 PRO A 48 6.183 -11.198 -19.791 1.00 35.23 H new ATOM 0 HB3 PRO A 48 5.803 -12.498 -20.903 1.00 35.23 H new ATOM 0 HG2 PRO A 48 8.350 -10.912 -20.643 1.00 41.31 H new ATOM 0 HG3 PRO A 48 8.147 -12.637 -20.876 1.00 41.31 H new ATOM 0 HD2 PRO A 48 8.771 -10.982 -22.947 1.00 74.45 H new ATOM 0 HD3 PRO A 48 7.802 -12.423 -23.186 1.00 74.45 H new ATOM 779 N GLY A 49 6.684 -8.284 -21.666 1.00 73.21 N ATOM 780 CA GLY A 49 6.773 -6.929 -21.155 1.00 21.33 C ATOM 781 C GLY A 49 5.810 -5.984 -21.847 1.00 11.42 C ATOM 782 O GLY A 49 5.908 -4.765 -21.695 1.00 41.23 O ATOM 0 H GLY A 49 7.373 -8.519 -22.381 1.00 73.21 H new ATOM 0 HA2 GLY A 49 6.567 -6.933 -20.085 1.00 21.33 H new ATOM 0 HA3 GLY A 49 7.792 -6.562 -21.282 1.00 21.33 H new ATOM 786 N LEU A 50 4.880 -6.545 -22.612 1.00 10.40 N ATOM 787 CA LEU A 50 3.897 -5.743 -23.333 1.00 52.11 C ATOM 788 C LEU A 50 2.562 -5.729 -22.595 1.00 33.15 C ATOM 789 O LEU A 50 1.508 -5.526 -23.201 1.00 14.13 O ATOM 790 CB LEU A 50 3.705 -6.289 -24.749 1.00 62.11 C ATOM 791 CG LEU A 50 4.953 -6.316 -25.633 1.00 43.11 C ATOM 792 CD1 LEU A 50 4.598 -6.757 -27.044 1.00 4.25 C ATOM 793 CD2 LEU A 50 5.623 -4.950 -25.651 1.00 52.32 C ATOM 0 H LEU A 50 4.786 -7.551 -22.749 1.00 10.40 H new ATOM 0 HA LEU A 50 4.270 -4.720 -23.393 1.00 52.11 H new ATOM 0 HB2 LEU A 50 3.314 -7.304 -24.676 1.00 62.11 H new ATOM 0 HB3 LEU A 50 2.944 -5.689 -25.248 1.00 62.11 H new ATOM 0 HG LEU A 50 5.656 -7.037 -25.215 1.00 43.11 H new ATOM 0 HD11 LEU A 50 5.498 -6.770 -27.658 1.00 4.25 H new ATOM 0 HD12 LEU A 50 4.164 -7.756 -27.014 1.00 4.25 H new ATOM 0 HD13 LEU A 50 3.877 -6.061 -27.472 1.00 4.25 H new ATOM 0 HD21 LEU A 50 6.509 -4.988 -26.285 1.00 52.32 H new ATOM 0 HD22 LEU A 50 4.927 -4.209 -26.044 1.00 52.32 H new ATOM 0 HD23 LEU A 50 5.913 -4.674 -24.637 1.00 52.32 H new ATOM 805 N LEU A 51 2.612 -5.942 -21.286 1.00 54.32 N ATOM 806 CA LEU A 51 1.407 -5.951 -20.465 1.00 74.12 C ATOM 807 C LEU A 51 1.539 -4.987 -19.291 1.00 1.24 C ATOM 808 O LEU A 51 0.895 -5.159 -18.257 1.00 31.34 O ATOM 809 CB LEU A 51 1.128 -7.364 -19.949 1.00 74.22 C ATOM 810 CG LEU A 51 1.250 -8.491 -20.976 1.00 4.43 C ATOM 811 CD1 LEU A 51 1.394 -9.835 -20.280 1.00 1.05 C ATOM 812 CD2 LEU A 51 0.048 -8.496 -21.908 1.00 64.53 C ATOM 0 H LEU A 51 3.475 -6.111 -20.769 1.00 54.32 H new ATOM 0 HA LEU A 51 0.573 -5.625 -21.086 1.00 74.12 H new ATOM 0 HB2 LEU A 51 1.815 -7.572 -19.128 1.00 74.22 H new ATOM 0 HB3 LEU A 51 0.120 -7.385 -19.534 1.00 74.22 H new ATOM 0 HG LEU A 51 2.146 -8.317 -21.573 1.00 4.43 H new ATOM 0 HD11 LEU A 51 1.479 -10.624 -21.027 1.00 1.05 H new ATOM 0 HD12 LEU A 51 2.288 -9.828 -19.656 1.00 1.05 H new ATOM 0 HD13 LEU A 51 0.518 -10.018 -19.657 1.00 1.05 H new ATOM 0 HD21 LEU A 51 0.152 -9.304 -22.632 1.00 64.53 H new ATOM 0 HD22 LEU A 51 -0.862 -8.644 -21.327 1.00 64.53 H new ATOM 0 HD23 LEU A 51 -0.008 -7.543 -22.434 1.00 64.53 H new ATOM 824 N GLU A 52 2.380 -3.971 -19.459 1.00 5.13 N ATOM 825 CA GLU A 52 2.596 -2.977 -18.414 1.00 70.23 C ATOM 826 C GLU A 52 2.249 -1.577 -18.913 1.00 43.14 C ATOM 827 O GLU A 52 2.253 -0.613 -18.146 1.00 72.43 O ATOM 828 CB GLU A 52 4.049 -3.015 -17.936 1.00 61.34 C ATOM 829 CG GLU A 52 5.051 -2.611 -19.002 1.00 12.54 C ATOM 830 CD GLU A 52 6.470 -3.021 -18.656 1.00 71.35 C ATOM 831 OE1 GLU A 52 6.932 -2.675 -17.549 1.00 3.21 O ATOM 832 OE2 GLU A 52 7.116 -3.689 -19.490 1.00 25.42 O ATOM 0 H GLU A 52 2.923 -3.815 -20.308 1.00 5.13 H new ATOM 0 HA GLU A 52 1.939 -3.218 -17.578 1.00 70.23 H new ATOM 0 HB2 GLU A 52 4.158 -2.352 -17.078 1.00 61.34 H new ATOM 0 HB3 GLU A 52 4.283 -4.023 -17.592 1.00 61.34 H new ATOM 0 HG2 GLU A 52 4.767 -3.064 -19.952 1.00 12.54 H new ATOM 0 HG3 GLU A 52 5.013 -1.530 -19.140 1.00 12.54 H new ATOM 839 N THR A 53 1.951 -1.473 -20.204 1.00 44.13 N ATOM 840 CA THR A 53 1.605 -0.192 -20.807 1.00 51.11 C ATOM 841 C THR A 53 0.301 -0.288 -21.591 1.00 15.31 C ATOM 842 O THR A 53 0.050 -1.279 -22.279 1.00 41.55 O ATOM 843 CB THR A 53 2.720 0.307 -21.746 1.00 41.14 C ATOM 844 OG1 THR A 53 2.728 -0.466 -22.951 1.00 55.33 O ATOM 845 CG2 THR A 53 4.079 0.215 -21.068 1.00 63.31 C ATOM 0 H THR A 53 1.942 -2.261 -20.852 1.00 44.13 H new ATOM 0 HA THR A 53 1.483 0.519 -19.990 1.00 51.11 H new ATOM 0 HB THR A 53 2.522 1.351 -21.987 1.00 41.14 H new ATOM 0 HG1 THR A 53 3.438 -0.141 -23.543 1.00 55.33 H new ATOM 0 HG21 THR A 53 4.851 0.573 -21.750 1.00 63.31 H new ATOM 0 HG22 THR A 53 4.078 0.828 -20.167 1.00 63.31 H new ATOM 0 HG23 THR A 53 4.283 -0.822 -20.801 1.00 63.31 H new ATOM 853 N SER A 54 -0.525 0.748 -21.485 1.00 74.54 N ATOM 854 CA SER A 54 -1.806 0.777 -22.183 1.00 65.34 C ATOM 855 C SER A 54 -1.616 0.534 -23.677 1.00 71.51 C ATOM 856 O SER A 54 -2.486 -0.033 -24.338 1.00 3.54 O ATOM 857 CB SER A 54 -2.501 2.121 -21.958 1.00 23.32 C ATOM 858 OG SER A 54 -2.278 2.999 -23.048 1.00 22.41 O ATOM 0 H SER A 54 -0.331 1.577 -20.924 1.00 74.54 H new ATOM 0 HA SER A 54 -2.431 -0.020 -21.780 1.00 65.34 H new ATOM 0 HB2 SER A 54 -3.572 1.963 -21.827 1.00 23.32 H new ATOM 0 HB3 SER A 54 -2.131 2.576 -21.039 1.00 23.32 H new ATOM 0 HG SER A 54 -2.734 3.850 -22.881 1.00 22.41 H new ATOM 864 N GLU A 55 -0.474 0.965 -24.200 1.00 5.34 N ATOM 865 CA GLU A 55 -0.170 0.795 -25.616 1.00 24.43 C ATOM 866 C GLU A 55 0.112 -0.669 -25.940 1.00 13.24 C ATOM 867 O GLU A 55 -0.450 -1.228 -26.880 1.00 23.14 O ATOM 868 CB GLU A 55 1.032 1.658 -26.010 1.00 35.33 C ATOM 869 CG GLU A 55 0.763 2.570 -27.195 1.00 11.30 C ATOM 870 CD GLU A 55 0.806 1.834 -28.521 1.00 73.24 C ATOM 871 OE1 GLU A 55 1.902 1.743 -29.113 1.00 72.35 O ATOM 872 OE2 GLU A 55 -0.255 1.348 -28.964 1.00 70.33 O ATOM 0 H GLU A 55 0.257 1.435 -23.665 1.00 5.34 H new ATOM 0 HA GLU A 55 -1.040 1.114 -26.189 1.00 24.43 H new ATOM 0 HB2 GLU A 55 1.329 2.265 -25.155 1.00 35.33 H new ATOM 0 HB3 GLU A 55 1.874 1.007 -26.247 1.00 35.33 H new ATOM 0 HG2 GLU A 55 -0.215 3.037 -27.075 1.00 11.30 H new ATOM 0 HG3 GLU A 55 1.500 3.373 -27.205 1.00 11.30 H new ATOM 879 N GLY A 56 0.990 -1.285 -25.152 1.00 23.24 N ATOM 880 CA GLY A 56 1.332 -2.678 -25.372 1.00 42.15 C ATOM 881 C GLY A 56 0.117 -3.582 -25.362 1.00 61.42 C ATOM 882 O GLY A 56 -0.095 -4.360 -26.293 1.00 44.12 O ATOM 0 H GLY A 56 1.469 -0.844 -24.367 1.00 23.24 H new ATOM 0 HA2 GLY A 56 1.846 -2.776 -26.328 1.00 42.15 H new ATOM 0 HA3 GLY A 56 2.030 -3.004 -24.600 1.00 42.15 H new ATOM 886 N CYS A 57 -0.684 -3.483 -24.306 1.00 31.25 N ATOM 887 CA CYS A 57 -1.885 -4.302 -24.178 1.00 62.31 C ATOM 888 C CYS A 57 -2.782 -4.145 -25.401 1.00 33.51 C ATOM 889 O CYS A 57 -3.188 -5.132 -26.015 1.00 34.41 O ATOM 890 CB CYS A 57 -2.655 -3.920 -22.913 1.00 64.21 C ATOM 891 SG CYS A 57 -2.465 -5.093 -21.550 1.00 4.11 S ATOM 0 H CYS A 57 -0.524 -2.844 -23.527 1.00 31.25 H new ATOM 0 HA CYS A 57 -1.578 -5.345 -24.106 1.00 62.31 H new ATOM 0 HB2 CYS A 57 -2.322 -2.937 -22.581 1.00 64.21 H new ATOM 0 HB3 CYS A 57 -3.714 -3.832 -23.158 1.00 64.21 H new ATOM 0 HG CYS A 57 -3.151 -4.682 -20.525 1.00 4.11 H new ATOM 897 N ARG A 58 -3.090 -2.901 -25.748 1.00 65.22 N ATOM 898 CA ARG A 58 -3.943 -2.615 -26.896 1.00 45.45 C ATOM 899 C ARG A 58 -3.424 -3.320 -28.146 1.00 63.43 C ATOM 900 O ARG A 58 -4.197 -3.673 -29.036 1.00 64.52 O ATOM 901 CB ARG A 58 -4.017 -1.107 -27.141 1.00 41.24 C ATOM 902 CG ARG A 58 -5.046 -0.709 -28.186 1.00 11.24 C ATOM 903 CD ARG A 58 -5.021 0.788 -28.451 1.00 71.41 C ATOM 904 NE ARG A 58 -6.099 1.203 -29.344 1.00 24.44 N ATOM 905 CZ ARG A 58 -6.280 2.457 -29.744 1.00 21.44 C ATOM 906 NH1 ARG A 58 -5.458 3.413 -29.333 1.00 72.22 N ATOM 907 NH2 ARG A 58 -7.284 2.757 -30.558 1.00 35.24 N ATOM 0 H ARG A 58 -2.762 -2.073 -25.251 1.00 65.22 H new ATOM 0 HA ARG A 58 -4.943 -2.989 -26.677 1.00 45.45 H new ATOM 0 HB2 ARG A 58 -4.253 -0.606 -26.202 1.00 41.24 H new ATOM 0 HB3 ARG A 58 -3.036 -0.750 -27.455 1.00 41.24 H new ATOM 0 HG2 ARG A 58 -4.851 -1.247 -29.114 1.00 11.24 H new ATOM 0 HG3 ARG A 58 -6.040 -1.003 -27.850 1.00 11.24 H new ATOM 0 HD2 ARG A 58 -5.106 1.325 -27.506 1.00 71.41 H new ATOM 0 HD3 ARG A 58 -4.061 1.063 -28.889 1.00 71.41 H new ATOM 0 HE ARG A 58 -6.749 0.491 -29.679 1.00 24.44 H new ATOM 0 HH11 ARG A 58 -4.684 3.187 -28.708 1.00 72.22 H new ATOM 0 HH12 ARG A 58 -5.599 4.375 -29.642 1.00 72.22 H new ATOM 0 HH21 ARG A 58 -7.918 2.025 -30.877 1.00 35.24 H new ATOM 0 HH22 ARG A 58 -7.422 3.720 -30.864 1.00 35.24 H new ATOM 921 N GLN A 59 -2.112 -3.520 -28.204 1.00 1.43 N ATOM 922 CA GLN A 59 -1.492 -4.181 -29.347 1.00 53.54 C ATOM 923 C GLN A 59 -1.780 -5.679 -29.331 1.00 13.15 C ATOM 924 O GLN A 59 -1.952 -6.298 -30.382 1.00 40.41 O ATOM 925 CB GLN A 59 0.019 -3.941 -29.343 1.00 43.11 C ATOM 926 CG GLN A 59 0.573 -3.525 -30.696 1.00 23.24 C ATOM 927 CD GLN A 59 1.879 -2.763 -30.584 1.00 50.13 C ATOM 928 OE1 GLN A 59 2.879 -3.291 -30.096 1.00 73.44 O ATOM 929 NE2 GLN A 59 1.877 -1.515 -31.037 1.00 41.04 N ATOM 0 H GLN A 59 -1.458 -3.235 -27.475 1.00 1.43 H new ATOM 0 HA GLN A 59 -1.918 -3.757 -30.256 1.00 53.54 H new ATOM 0 HB2 GLN A 59 0.254 -3.169 -28.611 1.00 43.11 H new ATOM 0 HB3 GLN A 59 0.522 -4.852 -29.018 1.00 43.11 H new ATOM 0 HG2 GLN A 59 0.726 -4.413 -31.310 1.00 23.24 H new ATOM 0 HG3 GLN A 59 -0.162 -2.905 -31.210 1.00 23.24 H new ATOM 0 HE21 GLN A 59 1.025 -1.118 -31.434 1.00 41.04 H new ATOM 0 HE22 GLN A 59 2.727 -0.953 -30.988 1.00 41.04 H new ATOM 938 N ILE A 60 -1.831 -6.254 -28.135 1.00 10.00 N ATOM 939 CA ILE A 60 -2.100 -7.679 -27.983 1.00 15.31 C ATOM 940 C ILE A 60 -3.561 -7.997 -28.279 1.00 15.34 C ATOM 941 O ILE A 60 -3.871 -8.992 -28.937 1.00 12.43 O ATOM 942 CB ILE A 60 -1.756 -8.169 -26.564 1.00 10.34 C ATOM 943 CG1 ILE A 60 -0.283 -7.895 -26.249 1.00 64.33 C ATOM 944 CG2 ILE A 60 -2.065 -9.652 -26.428 1.00 40.53 C ATOM 945 CD1 ILE A 60 -0.060 -7.300 -24.876 1.00 24.42 C ATOM 0 H ILE A 60 -1.690 -5.755 -27.256 1.00 10.00 H new ATOM 0 HA ILE A 60 -1.465 -8.198 -28.701 1.00 15.31 H new ATOM 0 HB ILE A 60 -2.369 -7.622 -25.847 1.00 10.34 H new ATOM 0 HG12 ILE A 60 0.277 -8.827 -26.328 1.00 64.33 H new ATOM 0 HG13 ILE A 60 0.121 -7.216 -27.000 1.00 64.33 H new ATOM 0 HG21 ILE A 60 -1.817 -9.984 -25.420 1.00 40.53 H new ATOM 0 HG22 ILE A 60 -3.125 -9.821 -26.615 1.00 40.53 H new ATOM 0 HG23 ILE A 60 -1.474 -10.215 -27.151 1.00 40.53 H new ATOM 0 HD11 ILE A 60 1.006 -7.132 -24.721 1.00 24.42 H new ATOM 0 HD12 ILE A 60 -0.592 -6.351 -24.800 1.00 24.42 H new ATOM 0 HD13 ILE A 60 -0.433 -7.987 -24.117 1.00 24.42 H new ATOM 957 N LEU A 61 -4.457 -7.147 -27.791 1.00 43.43 N ATOM 958 CA LEU A 61 -5.888 -7.336 -28.004 1.00 42.54 C ATOM 959 C LEU A 61 -6.251 -7.130 -29.471 1.00 62.21 C ATOM 960 O LEU A 61 -7.239 -7.678 -29.958 1.00 3.35 O ATOM 961 CB LEU A 61 -6.686 -6.368 -27.128 1.00 14.40 C ATOM 962 CG LEU A 61 -6.490 -6.512 -25.618 1.00 72.03 C ATOM 963 CD1 LEU A 61 -6.898 -5.234 -24.903 1.00 42.05 C ATOM 964 CD2 LEU A 61 -7.283 -7.698 -25.089 1.00 52.53 C ATOM 0 H LEU A 61 -4.218 -6.319 -27.245 1.00 43.43 H new ATOM 0 HA LEU A 61 -6.140 -8.359 -27.726 1.00 42.54 H new ATOM 0 HB2 LEU A 61 -6.422 -5.350 -27.413 1.00 14.40 H new ATOM 0 HB3 LEU A 61 -7.745 -6.497 -27.351 1.00 14.40 H new ATOM 0 HG LEU A 61 -5.433 -6.691 -25.423 1.00 72.03 H new ATOM 0 HD11 LEU A 61 -6.752 -5.355 -23.830 1.00 42.05 H new ATOM 0 HD12 LEU A 61 -6.287 -4.406 -25.261 1.00 42.05 H new ATOM 0 HD13 LEU A 61 -7.948 -5.024 -25.105 1.00 42.05 H new ATOM 0 HD21 LEU A 61 -7.132 -7.786 -24.013 1.00 52.53 H new ATOM 0 HD22 LEU A 61 -8.343 -7.548 -25.296 1.00 52.53 H new ATOM 0 HD23 LEU A 61 -6.943 -8.611 -25.579 1.00 52.53 H new ATOM 976 N GLY A 62 -5.444 -6.338 -30.170 1.00 61.12 N ATOM 977 CA GLY A 62 -5.696 -6.075 -31.575 1.00 33.20 C ATOM 978 C GLY A 62 -5.519 -7.311 -32.436 1.00 24.14 C ATOM 979 O GLY A 62 -6.046 -7.381 -33.546 1.00 2.22 O ATOM 0 H GLY A 62 -4.620 -5.874 -29.788 1.00 61.12 H new ATOM 0 HA2 GLY A 62 -6.711 -5.695 -31.694 1.00 33.20 H new ATOM 0 HA3 GLY A 62 -5.020 -5.294 -31.922 1.00 33.20 H new ATOM 983 N GLN A 63 -4.773 -8.284 -31.925 1.00 42.04 N ATOM 984 CA GLN A 63 -4.526 -9.521 -32.657 1.00 50.52 C ATOM 985 C GLN A 63 -5.527 -10.598 -32.259 1.00 75.35 C ATOM 986 O GLN A 63 -5.988 -11.374 -33.098 1.00 44.22 O ATOM 987 CB GLN A 63 -3.100 -10.013 -32.401 1.00 20.02 C ATOM 988 CG GLN A 63 -2.147 -9.744 -33.555 1.00 0.03 C ATOM 989 CD GLN A 63 -1.418 -8.422 -33.415 1.00 72.30 C ATOM 990 OE1 GLN A 63 -2.018 -7.354 -33.538 1.00 23.15 O ATOM 991 NE2 GLN A 63 -0.118 -8.488 -33.156 1.00 42.41 N ATOM 0 H GLN A 63 -4.329 -8.240 -31.008 1.00 42.04 H new ATOM 0 HA GLN A 63 -4.647 -9.315 -33.721 1.00 50.52 H new ATOM 0 HB2 GLN A 63 -2.714 -9.532 -31.502 1.00 20.02 H new ATOM 0 HB3 GLN A 63 -3.124 -11.085 -32.203 1.00 20.02 H new ATOM 0 HG2 GLN A 63 -1.418 -10.552 -33.615 1.00 0.03 H new ATOM 0 HG3 GLN A 63 -2.706 -9.749 -34.491 1.00 0.03 H new ATOM 0 HE21 GLN A 63 0.338 -9.396 -33.062 1.00 42.41 H new ATOM 0 HE22 GLN A 63 0.425 -7.631 -33.051 1.00 42.41 H new ATOM 1000 N LEU A 64 -5.861 -10.644 -30.973 1.00 32.12 N ATOM 1001 CA LEU A 64 -6.809 -11.628 -30.462 1.00 14.23 C ATOM 1002 C LEU A 64 -8.242 -11.226 -30.795 1.00 51.02 C ATOM 1003 O LEU A 64 -9.126 -12.077 -30.899 1.00 51.54 O ATOM 1004 CB LEU A 64 -6.648 -11.783 -28.950 1.00 44.05 C ATOM 1005 CG LEU A 64 -5.218 -11.977 -28.443 1.00 24.11 C ATOM 1006 CD1 LEU A 64 -5.181 -11.940 -26.922 1.00 0.15 C ATOM 1007 CD2 LEU A 64 -4.642 -13.286 -28.961 1.00 55.22 C ATOM 0 H LEU A 64 -5.489 -10.011 -30.265 1.00 32.12 H new ATOM 0 HA LEU A 64 -6.598 -12.584 -30.942 1.00 14.23 H new ATOM 0 HB2 LEU A 64 -7.066 -10.899 -28.468 1.00 44.05 H new ATOM 0 HB3 LEU A 64 -7.245 -12.635 -28.627 1.00 44.05 H new ATOM 0 HG LEU A 64 -4.605 -11.159 -28.821 1.00 24.11 H new ATOM 0 HD11 LEU A 64 -4.156 -12.080 -26.579 1.00 0.15 H new ATOM 0 HD12 LEU A 64 -5.552 -10.977 -26.572 1.00 0.15 H new ATOM 0 HD13 LEU A 64 -5.808 -12.737 -26.523 1.00 0.15 H new ATOM 0 HD21 LEU A 64 -3.624 -13.408 -28.590 1.00 55.22 H new ATOM 0 HD22 LEU A 64 -5.256 -14.117 -28.613 1.00 55.22 H new ATOM 0 HD23 LEU A 64 -4.632 -13.273 -30.051 1.00 55.22 H new ATOM 1019 N GLN A 65 -8.464 -9.927 -30.961 1.00 23.24 N ATOM 1020 CA GLN A 65 -9.790 -9.414 -31.284 1.00 43.11 C ATOM 1021 C GLN A 65 -10.377 -10.141 -32.489 1.00 70.12 C ATOM 1022 O GLN A 65 -11.416 -10.798 -32.402 1.00 70.01 O ATOM 1023 CB GLN A 65 -9.724 -7.911 -31.563 1.00 70.32 C ATOM 1024 CG GLN A 65 -10.145 -7.054 -30.380 1.00 11.31 C ATOM 1025 CD GLN A 65 -9.863 -5.580 -30.598 1.00 22.23 C ATOM 1026 OE1 GLN A 65 -8.879 -5.042 -30.092 1.00 13.31 O ATOM 1027 NE2 GLN A 65 -10.730 -4.918 -31.356 1.00 23.22 N ATOM 0 H GLN A 65 -7.743 -9.210 -30.877 1.00 23.24 H new ATOM 0 HA GLN A 65 -10.439 -9.590 -30.426 1.00 43.11 H new ATOM 0 HB2 GLN A 65 -8.706 -7.647 -31.848 1.00 70.32 H new ATOM 0 HB3 GLN A 65 -10.364 -7.679 -32.415 1.00 70.32 H new ATOM 0 HG2 GLN A 65 -11.210 -7.193 -30.196 1.00 11.31 H new ATOM 0 HG3 GLN A 65 -9.621 -7.392 -29.486 1.00 11.31 H new ATOM 0 HE21 GLN A 65 -11.533 -5.404 -31.756 1.00 23.22 H new ATOM 0 HE22 GLN A 65 -10.593 -3.924 -31.538 1.00 23.22 H new ATOM 1036 N PRO A 66 -9.700 -10.024 -33.640 1.00 3.43 N ATOM 1037 CA PRO A 66 -10.137 -10.664 -34.884 1.00 54.22 C ATOM 1038 C PRO A 66 -9.988 -12.182 -34.838 1.00 23.45 C ATOM 1039 O PRO A 66 -10.577 -12.897 -35.649 1.00 21.44 O ATOM 1040 CB PRO A 66 -9.201 -10.068 -35.937 1.00 4.45 C ATOM 1041 CG PRO A 66 -7.979 -9.674 -35.180 1.00 5.20 C ATOM 1042 CD PRO A 66 -8.455 -9.257 -33.816 1.00 33.31 C ATOM 0 HA PRO A 66 -11.194 -10.487 -35.084 1.00 54.22 H new ATOM 0 HB2 PRO A 66 -8.967 -10.795 -36.715 1.00 4.45 H new ATOM 0 HB3 PRO A 66 -9.656 -9.208 -36.430 1.00 4.45 H new ATOM 0 HG2 PRO A 66 -7.277 -10.505 -35.111 1.00 5.20 H new ATOM 0 HG3 PRO A 66 -7.457 -8.857 -35.678 1.00 5.20 H new ATOM 0 HD2 PRO A 66 -7.723 -9.496 -33.044 1.00 33.31 H new ATOM 0 HD3 PRO A 66 -8.634 -8.183 -33.764 1.00 33.31 H new ATOM 1050 N SER A 67 -9.200 -12.665 -33.885 1.00 74.33 N ATOM 1051 CA SER A 67 -8.973 -14.098 -33.735 1.00 14.24 C ATOM 1052 C SER A 67 -9.782 -14.659 -32.570 1.00 21.44 C ATOM 1053 O SER A 67 -9.408 -15.664 -31.965 1.00 43.43 O ATOM 1054 CB SER A 67 -7.484 -14.380 -33.519 1.00 21.42 C ATOM 1055 OG SER A 67 -6.738 -14.108 -34.693 1.00 41.23 O ATOM 0 H SER A 67 -8.708 -12.086 -33.205 1.00 74.33 H new ATOM 0 HA SER A 67 -9.300 -14.590 -34.651 1.00 14.24 H new ATOM 0 HB2 SER A 67 -7.110 -13.769 -32.697 1.00 21.42 H new ATOM 0 HB3 SER A 67 -7.346 -15.422 -33.230 1.00 21.42 H new ATOM 0 HG SER A 67 -5.790 -14.294 -34.529 1.00 41.23 H new ATOM 1061 N LEU A 68 -10.895 -14.002 -32.262 1.00 41.44 N ATOM 1062 CA LEU A 68 -11.760 -14.433 -31.169 1.00 44.24 C ATOM 1063 C LEU A 68 -12.650 -15.592 -31.604 1.00 10.34 C ATOM 1064 O LEU A 68 -12.937 -16.494 -30.819 1.00 54.22 O ATOM 1065 CB LEU A 68 -12.622 -13.265 -30.684 1.00 35.32 C ATOM 1066 CG LEU A 68 -12.087 -12.491 -29.480 1.00 43.13 C ATOM 1067 CD1 LEU A 68 -12.822 -11.168 -29.327 1.00 1.52 C ATOM 1068 CD2 LEU A 68 -12.212 -13.323 -28.211 1.00 25.41 C ATOM 0 H LEU A 68 -11.220 -13.169 -32.753 1.00 41.44 H new ATOM 0 HA LEU A 68 -11.127 -14.774 -30.349 1.00 44.24 H new ATOM 0 HB2 LEU A 68 -12.751 -12.567 -31.511 1.00 35.32 H new ATOM 0 HB3 LEU A 68 -13.611 -13.649 -30.434 1.00 35.32 H new ATOM 0 HG LEU A 68 -11.031 -12.280 -29.649 1.00 43.13 H new ATOM 0 HD11 LEU A 68 -12.428 -10.630 -28.465 1.00 1.52 H new ATOM 0 HD12 LEU A 68 -12.680 -10.567 -30.225 1.00 1.52 H new ATOM 0 HD13 LEU A 68 -13.886 -11.357 -29.181 1.00 1.52 H new ATOM 0 HD21 LEU A 68 -11.826 -12.755 -27.364 1.00 25.41 H new ATOM 0 HD22 LEU A 68 -13.260 -13.566 -28.037 1.00 25.41 H new ATOM 0 HD23 LEU A 68 -11.639 -14.244 -28.322 1.00 25.41 H new ATOM 1080 N GLN A 69 -13.083 -15.560 -32.860 1.00 13.51 N ATOM 1081 CA GLN A 69 -13.939 -16.609 -33.400 1.00 12.23 C ATOM 1082 C GLN A 69 -13.106 -17.763 -33.950 1.00 64.43 C ATOM 1083 O GLN A 69 -13.477 -18.930 -33.815 1.00 20.44 O ATOM 1084 CB GLN A 69 -14.841 -16.046 -34.500 1.00 44.22 C ATOM 1085 CG GLN A 69 -16.061 -16.906 -34.786 1.00 31.03 C ATOM 1086 CD GLN A 69 -16.983 -16.286 -35.818 1.00 45.21 C ATOM 1087 OE1 GLN A 69 -17.324 -16.914 -36.820 1.00 61.13 O ATOM 1088 NE2 GLN A 69 -17.391 -15.045 -35.577 1.00 71.24 N ATOM 0 H GLN A 69 -12.855 -14.819 -33.523 1.00 13.51 H new ATOM 0 HA GLN A 69 -14.561 -16.988 -32.589 1.00 12.23 H new ATOM 0 HB2 GLN A 69 -15.170 -15.047 -34.213 1.00 44.22 H new ATOM 0 HB3 GLN A 69 -14.260 -15.939 -35.416 1.00 44.22 H new ATOM 0 HG2 GLN A 69 -15.736 -17.886 -35.136 1.00 31.03 H new ATOM 0 HG3 GLN A 69 -16.613 -17.066 -33.860 1.00 31.03 H new ATOM 0 HE21 GLN A 69 -17.083 -14.562 -34.733 1.00 71.24 H new ATOM 0 HE22 GLN A 69 -18.012 -14.575 -36.236 1.00 71.24 H new ATOM 1097 N THR A 70 -11.979 -17.429 -34.570 1.00 20.01 N ATOM 1098 CA THR A 70 -11.094 -18.436 -35.141 1.00 35.15 C ATOM 1099 C THR A 70 -9.967 -18.789 -34.177 1.00 32.54 C ATOM 1100 O THR A 70 -8.864 -19.136 -34.598 1.00 0.12 O ATOM 1101 CB THR A 70 -10.485 -17.959 -36.474 1.00 42.31 C ATOM 1102 OG1 THR A 70 -9.760 -19.028 -37.092 1.00 44.01 O ATOM 1103 CG2 THR A 70 -9.559 -16.773 -36.250 1.00 12.45 C ATOM 0 H THR A 70 -11.657 -16.468 -34.690 1.00 20.01 H new ATOM 0 HA THR A 70 -11.701 -19.322 -35.325 1.00 35.15 H new ATOM 0 HB THR A 70 -11.298 -17.647 -37.130 1.00 42.31 H new ATOM 0 HG1 THR A 70 -9.119 -19.402 -36.452 1.00 44.01 H new ATOM 0 HG21 THR A 70 -9.140 -16.453 -37.204 1.00 12.45 H new ATOM 0 HG22 THR A 70 -10.121 -15.951 -35.806 1.00 12.45 H new ATOM 0 HG23 THR A 70 -8.751 -17.064 -35.579 1.00 12.45 H new ATOM 1111 N GLY A 71 -10.252 -18.699 -32.882 1.00 65.31 N ATOM 1112 CA GLY A 71 -9.251 -19.012 -31.878 1.00 33.34 C ATOM 1113 C GLY A 71 -9.760 -19.991 -30.839 1.00 72.41 C ATOM 1114 O GLY A 71 -10.957 -20.043 -30.559 1.00 70.24 O ATOM 0 H GLY A 71 -11.158 -18.415 -32.510 1.00 65.31 H new ATOM 0 HA2 GLY A 71 -8.370 -19.429 -32.365 1.00 33.34 H new ATOM 0 HA3 GLY A 71 -8.937 -18.093 -31.384 1.00 33.34 H new ATOM 1118 N SER A 72 -8.848 -20.770 -30.266 1.00 21.30 N ATOM 1119 CA SER A 72 -9.212 -21.755 -29.255 1.00 35.30 C ATOM 1120 C SER A 72 -9.187 -21.138 -27.861 1.00 62.02 C ATOM 1121 O SER A 72 -9.018 -19.929 -27.709 1.00 10.41 O ATOM 1122 CB SER A 72 -8.259 -22.951 -29.313 1.00 34.01 C ATOM 1123 OG SER A 72 -7.166 -22.776 -28.429 1.00 2.44 O ATOM 0 H SER A 72 -7.852 -20.738 -30.485 1.00 21.30 H new ATOM 0 HA SER A 72 -10.226 -22.096 -29.464 1.00 35.30 H new ATOM 0 HB2 SER A 72 -8.798 -23.862 -29.054 1.00 34.01 H new ATOM 0 HB3 SER A 72 -7.891 -23.077 -30.331 1.00 34.01 H new ATOM 0 HG SER A 72 -6.573 -23.554 -28.484 1.00 2.44 H new ATOM 1129 N GLU A 73 -9.357 -21.979 -26.844 1.00 4.05 N ATOM 1130 CA GLU A 73 -9.355 -21.516 -25.462 1.00 3.03 C ATOM 1131 C GLU A 73 -8.091 -20.715 -25.158 1.00 25.25 C ATOM 1132 O GLU A 73 -8.132 -19.728 -24.424 1.00 73.23 O ATOM 1133 CB GLU A 73 -9.462 -22.703 -24.502 1.00 20.31 C ATOM 1134 CG GLU A 73 -10.867 -23.269 -24.390 1.00 61.41 C ATOM 1135 CD GLU A 73 -11.105 -23.982 -23.073 1.00 22.33 C ATOM 1136 OE1 GLU A 73 -10.895 -23.355 -22.014 1.00 63.53 O ATOM 1137 OE2 GLU A 73 -11.500 -25.167 -23.102 1.00 65.02 O ATOM 0 H GLU A 73 -9.498 -22.983 -26.952 1.00 4.05 H new ATOM 0 HA GLU A 73 -10.219 -20.866 -25.323 1.00 3.03 H new ATOM 0 HB2 GLU A 73 -8.787 -23.491 -24.835 1.00 20.31 H new ATOM 0 HB3 GLU A 73 -9.125 -22.392 -23.513 1.00 20.31 H new ATOM 0 HG2 GLU A 73 -11.590 -22.460 -24.497 1.00 61.41 H new ATOM 0 HG3 GLU A 73 -11.042 -23.964 -25.212 1.00 61.41 H new ATOM 1144 N GLU A 74 -6.972 -21.149 -25.729 1.00 23.02 N ATOM 1145 CA GLU A 74 -5.697 -20.473 -25.518 1.00 11.33 C ATOM 1146 C GLU A 74 -5.806 -18.988 -25.854 1.00 11.01 C ATOM 1147 O GLU A 74 -5.128 -18.152 -25.254 1.00 15.32 O ATOM 1148 CB GLU A 74 -4.604 -21.120 -26.370 1.00 74.20 C ATOM 1149 CG GLU A 74 -4.078 -22.426 -25.797 1.00 62.05 C ATOM 1150 CD GLU A 74 -3.402 -23.292 -26.842 1.00 52.01 C ATOM 1151 OE1 GLU A 74 -2.857 -22.731 -27.816 1.00 61.33 O ATOM 1152 OE2 GLU A 74 -3.418 -24.531 -26.685 1.00 2.45 O ATOM 0 H GLU A 74 -6.922 -21.964 -26.340 1.00 23.02 H new ATOM 0 HA GLU A 74 -5.433 -20.572 -24.465 1.00 11.33 H new ATOM 0 HB2 GLU A 74 -4.996 -21.304 -27.370 1.00 74.20 H new ATOM 0 HB3 GLU A 74 -3.775 -20.420 -26.476 1.00 74.20 H new ATOM 0 HG2 GLU A 74 -3.370 -22.208 -24.998 1.00 62.05 H new ATOM 0 HG3 GLU A 74 -4.903 -22.980 -25.350 1.00 62.05 H new ATOM 1159 N LEU A 75 -6.662 -18.667 -26.817 1.00 21.21 N ATOM 1160 CA LEU A 75 -6.861 -17.283 -27.234 1.00 50.11 C ATOM 1161 C LEU A 75 -7.931 -16.606 -26.384 1.00 64.24 C ATOM 1162 O LEU A 75 -7.889 -15.396 -26.163 1.00 41.21 O ATOM 1163 CB LEU A 75 -7.255 -17.227 -28.711 1.00 32.21 C ATOM 1164 CG LEU A 75 -6.863 -15.954 -29.462 1.00 24.44 C ATOM 1165 CD1 LEU A 75 -6.409 -16.286 -30.875 1.00 74.43 C ATOM 1166 CD2 LEU A 75 -8.025 -14.972 -29.490 1.00 32.41 C ATOM 0 H LEU A 75 -7.230 -19.346 -27.324 1.00 21.21 H new ATOM 0 HA LEU A 75 -5.921 -16.749 -27.094 1.00 50.11 H new ATOM 0 HB2 LEU A 75 -6.803 -18.079 -29.220 1.00 32.21 H new ATOM 0 HB3 LEU A 75 -8.336 -17.349 -28.783 1.00 32.21 H new ATOM 0 HG LEU A 75 -6.031 -15.486 -28.936 1.00 24.44 H new ATOM 0 HD11 LEU A 75 -6.134 -15.368 -31.394 1.00 74.43 H new ATOM 0 HD12 LEU A 75 -5.547 -16.951 -30.833 1.00 74.43 H new ATOM 0 HD13 LEU A 75 -7.220 -16.777 -31.412 1.00 74.43 H new ATOM 0 HD21 LEU A 75 -7.728 -14.072 -30.028 1.00 32.41 H new ATOM 0 HD22 LEU A 75 -8.877 -15.431 -29.992 1.00 32.41 H new ATOM 0 HD23 LEU A 75 -8.304 -14.709 -28.470 1.00 32.41 H new ATOM 1178 N ARG A 76 -8.889 -17.395 -25.908 1.00 0.00 N ATOM 1179 CA ARG A 76 -9.970 -16.872 -25.081 1.00 34.21 C ATOM 1180 C ARG A 76 -9.442 -16.413 -23.725 1.00 61.31 C ATOM 1181 O ARG A 76 -9.707 -15.290 -23.294 1.00 55.02 O ATOM 1182 CB ARG A 76 -11.052 -17.936 -24.886 1.00 2.32 C ATOM 1183 CG ARG A 76 -12.467 -17.392 -24.994 1.00 71.14 C ATOM 1184 CD ARG A 76 -13.016 -16.997 -23.632 1.00 51.22 C ATOM 1185 NE ARG A 76 -13.488 -18.154 -22.876 1.00 62.25 N ATOM 1186 CZ ARG A 76 -14.587 -18.834 -23.184 1.00 52.40 C ATOM 1187 NH1 ARG A 76 -15.322 -18.476 -24.228 1.00 52.42 N ATOM 1188 NH2 ARG A 76 -14.952 -19.876 -22.447 1.00 0.20 N ATOM 0 H ARG A 76 -8.938 -18.399 -26.081 1.00 0.00 H new ATOM 0 HA ARG A 76 -10.404 -16.013 -25.593 1.00 34.21 H new ATOM 0 HB2 ARG A 76 -10.916 -18.721 -25.630 1.00 2.32 H new ATOM 0 HB3 ARG A 76 -10.923 -18.398 -23.907 1.00 2.32 H new ATOM 0 HG2 ARG A 76 -12.476 -16.526 -25.656 1.00 71.14 H new ATOM 0 HG3 ARG A 76 -13.114 -18.145 -25.444 1.00 71.14 H new ATOM 0 HD2 ARG A 76 -12.240 -16.484 -23.063 1.00 51.22 H new ATOM 0 HD3 ARG A 76 -13.836 -16.290 -23.762 1.00 51.22 H new ATOM 0 HE ARG A 76 -12.944 -18.456 -22.068 1.00 62.25 H new ATOM 0 HH11 ARG A 76 -15.044 -17.677 -24.797 1.00 52.42 H new ATOM 0 HH12 ARG A 76 -16.165 -19.000 -24.462 1.00 52.42 H new ATOM 0 HH21 ARG A 76 -14.389 -20.155 -21.644 1.00 0.20 H new ATOM 0 HH22 ARG A 76 -15.796 -20.398 -22.684 1.00 0.20 H new ATOM 1202 N SER A 77 -8.697 -17.288 -23.058 1.00 2.11 N ATOM 1203 CA SER A 77 -8.137 -16.974 -21.749 1.00 2.11 C ATOM 1204 C SER A 77 -7.328 -15.680 -21.800 1.00 75.52 C ATOM 1205 O SER A 77 -7.423 -14.840 -20.904 1.00 31.11 O ATOM 1206 CB SER A 77 -7.252 -18.122 -21.260 1.00 34.55 C ATOM 1207 OG SER A 77 -6.757 -18.883 -22.349 1.00 40.03 O ATOM 0 H SER A 77 -8.467 -18.220 -23.402 1.00 2.11 H new ATOM 0 HA SER A 77 -8.963 -16.839 -21.051 1.00 2.11 H new ATOM 0 HB2 SER A 77 -6.418 -17.722 -20.683 1.00 34.55 H new ATOM 0 HB3 SER A 77 -7.823 -18.766 -20.591 1.00 34.55 H new ATOM 0 HG SER A 77 -5.927 -19.332 -22.084 1.00 40.03 H new ATOM 1213 N LEU A 78 -6.535 -15.527 -22.854 1.00 32.12 N ATOM 1214 CA LEU A 78 -5.709 -14.337 -23.025 1.00 62.33 C ATOM 1215 C LEU A 78 -6.566 -13.075 -23.018 1.00 64.24 C ATOM 1216 O LEU A 78 -6.354 -12.174 -22.206 1.00 25.11 O ATOM 1217 CB LEU A 78 -4.918 -14.422 -24.331 1.00 75.15 C ATOM 1218 CG LEU A 78 -3.438 -14.779 -24.196 1.00 35.15 C ATOM 1219 CD1 LEU A 78 -2.725 -13.773 -23.307 1.00 41.31 C ATOM 1220 CD2 LEU A 78 -3.276 -16.189 -23.647 1.00 31.11 C ATOM 0 H LEU A 78 -6.446 -16.213 -23.604 1.00 32.12 H new ATOM 0 HA LEU A 78 -5.012 -14.287 -22.189 1.00 62.33 H new ATOM 0 HB2 LEU A 78 -5.393 -15.164 -24.973 1.00 75.15 H new ATOM 0 HB3 LEU A 78 -4.995 -13.462 -24.842 1.00 75.15 H new ATOM 0 HG LEU A 78 -2.984 -14.743 -25.186 1.00 35.15 H new ATOM 0 HD11 LEU A 78 -1.673 -14.044 -23.223 1.00 41.31 H new ATOM 0 HD12 LEU A 78 -2.810 -12.778 -23.743 1.00 41.31 H new ATOM 0 HD13 LEU A 78 -3.181 -13.775 -22.317 1.00 41.31 H new ATOM 0 HD21 LEU A 78 -2.216 -16.425 -23.558 1.00 31.11 H new ATOM 0 HD22 LEU A 78 -3.746 -16.254 -22.666 1.00 31.11 H new ATOM 0 HD23 LEU A 78 -3.750 -16.900 -24.324 1.00 31.11 H new ATOM 1232 N TYR A 79 -7.535 -13.018 -23.924 1.00 10.23 N ATOM 1233 CA TYR A 79 -8.423 -11.867 -24.023 1.00 64.11 C ATOM 1234 C TYR A 79 -9.042 -11.538 -22.668 1.00 52.35 C ATOM 1235 O TYR A 79 -9.346 -10.383 -22.375 1.00 1.43 O ATOM 1236 CB TYR A 79 -9.527 -12.134 -25.048 1.00 12.33 C ATOM 1237 CG TYR A 79 -9.998 -10.890 -25.768 1.00 40.22 C ATOM 1238 CD1 TYR A 79 -9.120 -10.132 -26.533 1.00 41.23 C ATOM 1239 CD2 TYR A 79 -11.321 -10.473 -25.683 1.00 14.42 C ATOM 1240 CE1 TYR A 79 -9.546 -8.995 -27.192 1.00 3.22 C ATOM 1241 CE2 TYR A 79 -11.755 -9.339 -26.340 1.00 73.42 C ATOM 1242 CZ TYR A 79 -10.864 -8.603 -27.093 1.00 30.31 C ATOM 1243 OH TYR A 79 -11.293 -7.470 -27.747 1.00 74.53 O ATOM 0 H TYR A 79 -7.726 -13.757 -24.601 1.00 10.23 H new ATOM 0 HA TYR A 79 -7.831 -11.012 -24.350 1.00 64.11 H new ATOM 0 HB2 TYR A 79 -9.164 -12.853 -25.782 1.00 12.33 H new ATOM 0 HB3 TYR A 79 -10.376 -12.595 -24.543 1.00 12.33 H new ATOM 0 HD1 TYR A 79 -8.087 -10.437 -26.614 1.00 41.23 H new ATOM 0 HD2 TYR A 79 -12.021 -11.046 -25.093 1.00 14.42 H new ATOM 0 HE1 TYR A 79 -8.850 -8.416 -27.782 1.00 3.22 H new ATOM 0 HE2 TYR A 79 -12.787 -9.030 -26.265 1.00 73.42 H new ATOM 0 HH TYR A 79 -12.248 -7.335 -27.575 1.00 74.53 H new ATOM 1253 N ASN A 80 -9.224 -12.565 -21.843 1.00 21.03 N ATOM 1254 CA ASN A 80 -9.807 -12.387 -20.518 1.00 51.41 C ATOM 1255 C ASN A 80 -8.848 -11.633 -19.601 1.00 62.55 C ATOM 1256 O ASN A 80 -9.192 -10.584 -19.053 1.00 55.24 O ATOM 1257 CB ASN A 80 -10.155 -13.745 -19.905 1.00 12.34 C ATOM 1258 CG ASN A 80 -11.652 -13.972 -19.817 1.00 20.43 C ATOM 1259 OD1 ASN A 80 -12.378 -13.784 -20.794 1.00 41.14 O ATOM 1260 ND2 ASN A 80 -12.121 -14.379 -18.643 1.00 3.54 N ATOM 0 H ASN A 80 -8.976 -13.528 -22.069 1.00 21.03 H new ATOM 0 HA ASN A 80 -10.719 -11.800 -20.624 1.00 51.41 H new ATOM 0 HB2 ASN A 80 -9.705 -14.537 -20.503 1.00 12.34 H new ATOM 0 HB3 ASN A 80 -9.721 -13.813 -18.908 1.00 12.34 H new ATOM 0 HD21 ASN A 80 -13.120 -14.549 -18.524 1.00 3.54 H new ATOM 0 HD22 ASN A 80 -11.482 -14.522 -17.861 1.00 3.54 H new ATOM 1267 N THR A 81 -7.645 -12.174 -19.437 1.00 23.04 N ATOM 1268 CA THR A 81 -6.638 -11.553 -18.586 1.00 73.32 C ATOM 1269 C THR A 81 -6.232 -10.185 -19.122 1.00 53.22 C ATOM 1270 O THR A 81 -6.286 -9.187 -18.404 1.00 4.31 O ATOM 1271 CB THR A 81 -5.383 -12.438 -18.464 1.00 75.21 C ATOM 1272 OG1 THR A 81 -5.751 -13.756 -18.043 1.00 74.35 O ATOM 1273 CG2 THR A 81 -4.394 -11.842 -17.475 1.00 42.42 C ATOM 0 H THR A 81 -7.344 -13.041 -19.882 1.00 23.04 H new ATOM 0 HA THR A 81 -7.087 -11.434 -17.600 1.00 73.32 H new ATOM 0 HB THR A 81 -4.907 -12.490 -19.443 1.00 75.21 H new ATOM 0 HG1 THR A 81 -4.948 -14.312 -17.970 1.00 74.35 H new ATOM 0 HG21 THR A 81 -3.516 -12.485 -17.406 1.00 42.42 H new ATOM 0 HG22 THR A 81 -4.092 -10.851 -17.814 1.00 42.42 H new ATOM 0 HG23 THR A 81 -4.863 -11.762 -16.494 1.00 42.42 H new ATOM 1281 N ILE A 82 -5.827 -10.148 -20.386 1.00 5.34 N ATOM 1282 CA ILE A 82 -5.413 -8.901 -21.019 1.00 71.15 C ATOM 1283 C ILE A 82 -6.473 -7.819 -20.846 1.00 4.11 C ATOM 1284 O ILE A 82 -6.154 -6.639 -20.710 1.00 43.02 O ATOM 1285 CB ILE A 82 -5.135 -9.096 -22.521 1.00 52.01 C ATOM 1286 CG1 ILE A 82 -4.048 -10.153 -22.727 1.00 54.12 C ATOM 1287 CG2 ILE A 82 -4.726 -7.778 -23.160 1.00 63.11 C ATOM 1288 CD1 ILE A 82 -4.017 -10.723 -24.128 1.00 22.42 C ATOM 0 H ILE A 82 -5.776 -10.966 -20.993 1.00 5.34 H new ATOM 0 HA ILE A 82 -4.493 -8.588 -20.526 1.00 71.15 H new ATOM 0 HB ILE A 82 -6.050 -9.442 -23.002 1.00 52.01 H new ATOM 0 HG12 ILE A 82 -3.077 -9.713 -22.501 1.00 54.12 H new ATOM 0 HG13 ILE A 82 -4.203 -10.965 -22.016 1.00 54.12 H new ATOM 0 HG21 ILE A 82 -4.533 -7.933 -24.222 1.00 63.11 H new ATOM 0 HG22 ILE A 82 -5.529 -7.051 -23.039 1.00 63.11 H new ATOM 0 HG23 ILE A 82 -3.823 -7.405 -22.678 1.00 63.11 H new ATOM 0 HD11 ILE A 82 -3.222 -11.466 -24.201 1.00 22.42 H new ATOM 0 HD12 ILE A 82 -4.975 -11.193 -24.351 1.00 22.42 H new ATOM 0 HD13 ILE A 82 -3.831 -9.921 -24.843 1.00 22.42 H new ATOM 1300 N ALA A 83 -7.737 -8.230 -20.851 1.00 54.31 N ATOM 1301 CA ALA A 83 -8.845 -7.298 -20.691 1.00 44.11 C ATOM 1302 C ALA A 83 -8.826 -6.654 -19.308 1.00 23.23 C ATOM 1303 O ALA A 83 -8.648 -5.443 -19.178 1.00 41.30 O ATOM 1304 CB ALA A 83 -10.171 -8.006 -20.926 1.00 3.22 C ATOM 0 H ALA A 83 -8.019 -9.204 -20.964 1.00 54.31 H new ATOM 0 HA ALA A 83 -8.731 -6.508 -21.434 1.00 44.11 H new ATOM 0 HB1 ALA A 83 -10.989 -7.296 -20.803 1.00 3.22 H new ATOM 0 HB2 ALA A 83 -10.192 -8.412 -21.937 1.00 3.22 H new ATOM 0 HB3 ALA A 83 -10.283 -8.817 -20.207 1.00 3.22 H new ATOM 1310 N VAL A 84 -9.011 -7.472 -18.277 1.00 14.32 N ATOM 1311 CA VAL A 84 -9.013 -6.983 -16.904 1.00 72.52 C ATOM 1312 C VAL A 84 -7.771 -6.149 -16.615 1.00 44.24 C ATOM 1313 O VAL A 84 -7.834 -5.147 -15.900 1.00 32.50 O ATOM 1314 CB VAL A 84 -9.086 -8.144 -15.894 1.00 55.44 C ATOM 1315 CG1 VAL A 84 -9.073 -7.614 -14.469 1.00 50.33 C ATOM 1316 CG2 VAL A 84 -10.323 -8.992 -16.146 1.00 72.12 C ATOM 0 H VAL A 84 -9.161 -8.477 -18.367 1.00 14.32 H new ATOM 0 HA VAL A 84 -9.899 -6.359 -16.792 1.00 72.52 H new ATOM 0 HB VAL A 84 -8.208 -8.775 -16.028 1.00 55.44 H new ATOM 0 HG11 VAL A 84 -9.125 -8.449 -13.770 1.00 50.33 H new ATOM 0 HG12 VAL A 84 -8.154 -7.054 -14.297 1.00 50.33 H new ATOM 0 HG13 VAL A 84 -9.931 -6.959 -14.317 1.00 50.33 H new ATOM 0 HG21 VAL A 84 -10.359 -9.807 -15.424 1.00 72.12 H new ATOM 0 HG22 VAL A 84 -11.215 -8.375 -16.041 1.00 72.12 H new ATOM 0 HG23 VAL A 84 -10.283 -9.403 -17.155 1.00 72.12 H new ATOM 1326 N LEU A 85 -6.641 -6.567 -17.173 1.00 73.43 N ATOM 1327 CA LEU A 85 -5.381 -5.858 -16.977 1.00 72.25 C ATOM 1328 C LEU A 85 -5.406 -4.501 -17.673 1.00 12.41 C ATOM 1329 O LEU A 85 -5.150 -3.469 -17.053 1.00 54.43 O ATOM 1330 CB LEU A 85 -4.215 -6.694 -17.505 1.00 51.43 C ATOM 1331 CG LEU A 85 -2.842 -6.385 -16.906 1.00 2.33 C ATOM 1332 CD1 LEU A 85 -2.230 -7.637 -16.298 1.00 53.10 C ATOM 1333 CD2 LEU A 85 -1.919 -5.798 -17.965 1.00 74.24 C ATOM 0 H LEU A 85 -6.571 -7.394 -17.766 1.00 73.43 H new ATOM 0 HA LEU A 85 -5.247 -5.695 -15.908 1.00 72.25 H new ATOM 0 HB2 LEU A 85 -4.438 -7.746 -17.327 1.00 51.43 H new ATOM 0 HB3 LEU A 85 -4.157 -6.559 -18.585 1.00 51.43 H new ATOM 0 HG LEU A 85 -2.970 -5.647 -16.114 1.00 2.33 H new ATOM 0 HD11 LEU A 85 -1.254 -7.397 -15.877 1.00 53.10 H new ATOM 0 HD12 LEU A 85 -2.882 -8.015 -15.510 1.00 53.10 H new ATOM 0 HD13 LEU A 85 -2.115 -8.398 -17.070 1.00 53.10 H new ATOM 0 HD21 LEU A 85 -0.946 -5.584 -17.522 1.00 74.24 H new ATOM 0 HD22 LEU A 85 -1.798 -6.513 -18.779 1.00 74.24 H new ATOM 0 HD23 LEU A 85 -2.351 -4.876 -18.354 1.00 74.24 H new ATOM 1345 N TYR A 86 -5.718 -4.510 -18.964 1.00 11.42 N ATOM 1346 CA TYR A 86 -5.776 -3.280 -19.744 1.00 15.44 C ATOM 1347 C TYR A 86 -6.667 -2.245 -19.065 1.00 41.22 C ATOM 1348 O TYR A 86 -6.284 -1.084 -18.915 1.00 63.15 O ATOM 1349 CB TYR A 86 -6.296 -3.571 -21.154 1.00 44.53 C ATOM 1350 CG TYR A 86 -6.532 -2.326 -21.980 1.00 22.22 C ATOM 1351 CD1 TYR A 86 -5.478 -1.680 -22.615 1.00 63.54 C ATOM 1352 CD2 TYR A 86 -7.809 -1.797 -22.125 1.00 14.25 C ATOM 1353 CE1 TYR A 86 -5.691 -0.543 -23.370 1.00 3.53 C ATOM 1354 CE2 TYR A 86 -8.029 -0.662 -22.880 1.00 23.20 C ATOM 1355 CZ TYR A 86 -6.967 -0.037 -23.500 1.00 62.22 C ATOM 1356 OH TYR A 86 -7.182 1.095 -24.252 1.00 21.03 O ATOM 0 H TYR A 86 -5.935 -5.355 -19.492 1.00 11.42 H new ATOM 0 HA TYR A 86 -4.767 -2.874 -19.812 1.00 15.44 H new ATOM 0 HB2 TYR A 86 -5.581 -4.210 -21.671 1.00 44.53 H new ATOM 0 HB3 TYR A 86 -7.229 -4.130 -21.080 1.00 44.53 H new ATOM 0 HD1 TYR A 86 -4.477 -2.073 -22.517 1.00 63.54 H new ATOM 0 HD2 TYR A 86 -8.643 -2.282 -21.639 1.00 14.25 H new ATOM 0 HE1 TYR A 86 -4.861 -0.052 -23.857 1.00 3.53 H new ATOM 0 HE2 TYR A 86 -9.028 -0.265 -22.985 1.00 23.20 H new ATOM 0 HH TYR A 86 -8.136 1.318 -24.242 1.00 21.03 H new ATOM 1366 N CYS A 87 -7.855 -2.674 -18.656 1.00 42.24 N ATOM 1367 CA CYS A 87 -8.802 -1.785 -17.992 1.00 70.04 C ATOM 1368 C CYS A 87 -8.142 -1.069 -16.817 1.00 23.03 C ATOM 1369 O CYS A 87 -8.432 0.097 -16.546 1.00 3.34 O ATOM 1370 CB CYS A 87 -10.018 -2.573 -17.504 1.00 32.14 C ATOM 1371 SG CYS A 87 -11.143 -3.084 -18.825 1.00 22.20 S ATOM 0 H CYS A 87 -8.186 -3.632 -18.772 1.00 42.24 H new ATOM 0 HA CYS A 87 -9.129 -1.037 -18.715 1.00 70.04 H new ATOM 0 HB2 CYS A 87 -9.674 -3.459 -16.971 1.00 32.14 H new ATOM 0 HB3 CYS A 87 -10.569 -1.964 -16.787 1.00 32.14 H new ATOM 0 HG CYS A 87 -10.652 -4.121 -19.436 1.00 22.20 H new ATOM 1377 N VAL A 88 -7.255 -1.773 -16.123 1.00 71.04 N ATOM 1378 CA VAL A 88 -6.555 -1.205 -14.978 1.00 42.24 C ATOM 1379 C VAL A 88 -5.601 -0.099 -15.410 1.00 4.13 C ATOM 1380 O VAL A 88 -5.584 0.986 -14.826 1.00 71.35 O ATOM 1381 CB VAL A 88 -5.761 -2.283 -14.214 1.00 64.25 C ATOM 1382 CG1 VAL A 88 -5.098 -1.685 -12.983 1.00 45.45 C ATOM 1383 CG2 VAL A 88 -6.670 -3.441 -13.830 1.00 45.43 C ATOM 0 H VAL A 88 -7.004 -2.739 -16.334 1.00 71.04 H new ATOM 0 HA VAL A 88 -7.315 -0.787 -14.318 1.00 42.24 H new ATOM 0 HB VAL A 88 -4.979 -2.666 -14.869 1.00 64.25 H new ATOM 0 HG11 VAL A 88 -4.542 -2.461 -12.456 1.00 45.45 H new ATOM 0 HG12 VAL A 88 -4.415 -0.892 -13.287 1.00 45.45 H new ATOM 0 HG13 VAL A 88 -5.861 -1.273 -12.322 1.00 45.45 H new ATOM 0 HG21 VAL A 88 -6.093 -4.193 -13.291 1.00 45.43 H new ATOM 0 HG22 VAL A 88 -7.475 -3.076 -13.192 1.00 45.43 H new ATOM 0 HG23 VAL A 88 -7.094 -3.885 -14.731 1.00 45.43 H new ATOM 1393 N HIS A 89 -4.807 -0.378 -16.439 1.00 61.02 N ATOM 1394 CA HIS A 89 -3.849 0.595 -16.953 1.00 50.33 C ATOM 1395 C HIS A 89 -4.557 1.874 -17.393 1.00 41.14 C ATOM 1396 O HIS A 89 -4.014 2.943 -17.117 1.00 61.34 O ATOM 1397 CB HIS A 89 -3.066 0.003 -18.126 1.00 71.43 C ATOM 1398 CG HIS A 89 -2.048 -1.014 -17.714 1.00 52.32 C ATOM 1399 ND1 HIS A 89 -1.550 -1.103 -16.431 1.00 11.34 N ATOM 1400 CD2 HIS A 89 -1.434 -1.991 -18.423 1.00 44.25 C ATOM 1401 CE1 HIS A 89 -0.673 -2.090 -16.369 1.00 51.22 C ATOM 1402 NE2 HIS A 89 -0.586 -2.645 -17.565 1.00 53.43 N ATOM 0 H HIS A 89 -4.808 -1.270 -16.934 1.00 61.02 H new ATOM 0 HA HIS A 89 -3.154 0.842 -16.150 1.00 50.33 H new ATOM 0 HB2 HIS A 89 -3.766 -0.457 -18.824 1.00 71.43 H new ATOM 0 HB3 HIS A 89 -2.566 0.809 -18.662 1.00 71.43 H new ATOM 0 HD1 HIS A 89 -1.817 -0.501 -15.652 1.00 11.34 H new ATOM 0 HD2 HIS A 89 -1.584 -2.214 -19.469 1.00 44.25 H new ATOM 0 HE1 HIS A 89 -0.122 -2.391 -15.491 1.00 51.22 H new ATOM 1411 N GLN A 90 -5.712 1.795 -18.045 1.00 72.55 N ATOM 1412 CA GLN A 90 -6.424 2.988 -18.485 1.00 24.21 C ATOM 1413 C GLN A 90 -7.084 3.695 -17.305 1.00 50.53 C ATOM 1414 O GLN A 90 -6.648 4.770 -16.890 1.00 54.42 O ATOM 1415 CB GLN A 90 -7.479 2.623 -19.531 1.00 51.35 C ATOM 1416 CG GLN A 90 -7.124 3.074 -20.938 1.00 42.22 C ATOM 1417 CD GLN A 90 -7.165 4.582 -21.095 1.00 71.34 C ATOM 1418 OE1 GLN A 90 -8.231 5.168 -21.285 1.00 44.01 O ATOM 1419 NE2 GLN A 90 -6.002 5.218 -21.016 1.00 61.31 N ATOM 0 H GLN A 90 -6.175 0.917 -18.280 1.00 72.55 H new ATOM 0 HA GLN A 90 -5.699 3.667 -18.933 1.00 24.21 H new ATOM 0 HB2 GLN A 90 -7.620 1.542 -19.530 1.00 51.35 H new ATOM 0 HB3 GLN A 90 -8.431 3.069 -19.245 1.00 51.35 H new ATOM 0 HG2 GLN A 90 -6.127 2.713 -21.190 1.00 42.22 H new ATOM 0 HG3 GLN A 90 -7.816 2.620 -21.647 1.00 42.22 H new ATOM 0 HE21 GLN A 90 -5.143 4.692 -20.857 1.00 61.31 H new ATOM 0 HE22 GLN A 90 -5.968 6.233 -21.114 1.00 61.31 H new ATOM 1428 N ARG A 91 -8.135 3.085 -16.769 1.00 35.45 N ATOM 1429 CA ARG A 91 -8.856 3.656 -15.638 1.00 63.24 C ATOM 1430 C ARG A 91 -10.005 2.748 -15.210 1.00 21.32 C ATOM 1431 O ARG A 91 -10.318 2.643 -14.025 1.00 44.31 O ATOM 1432 CB ARG A 91 -9.394 5.043 -15.996 1.00 14.23 C ATOM 1433 CG ARG A 91 -8.861 6.152 -15.103 1.00 25.14 C ATOM 1434 CD ARG A 91 -8.948 7.507 -15.787 1.00 0.44 C ATOM 1435 NE ARG A 91 -10.260 8.126 -15.614 1.00 54.22 N ATOM 1436 CZ ARG A 91 -10.708 8.585 -14.450 1.00 3.54 C ATOM 1437 NH1 ARG A 91 -9.953 8.496 -13.364 1.00 21.21 N ATOM 1438 NH2 ARG A 91 -11.913 9.135 -14.373 1.00 14.43 N ATOM 0 H ARG A 91 -8.507 2.195 -17.100 1.00 35.45 H new ATOM 0 HA ARG A 91 -8.159 3.748 -14.805 1.00 63.24 H new ATOM 0 HB2 ARG A 91 -9.137 5.267 -17.031 1.00 14.23 H new ATOM 0 HB3 ARG A 91 -10.482 5.029 -15.933 1.00 14.23 H new ATOM 0 HG2 ARG A 91 -9.428 6.176 -14.172 1.00 25.14 H new ATOM 0 HG3 ARG A 91 -7.824 5.942 -14.839 1.00 25.14 H new ATOM 0 HD2 ARG A 91 -8.180 8.167 -15.383 1.00 0.44 H new ATOM 0 HD3 ARG A 91 -8.740 7.390 -16.851 1.00 0.44 H new ATOM 0 HE ARG A 91 -10.865 8.210 -16.431 1.00 54.22 H new ATOM 0 HH11 ARG A 91 -9.026 8.074 -13.421 1.00 21.21 H new ATOM 0 HH12 ARG A 91 -10.299 8.849 -12.472 1.00 21.21 H new ATOM 0 HH21 ARG A 91 -12.496 9.206 -15.207 1.00 14.43 H new ATOM 0 HH22 ARG A 91 -12.257 9.487 -13.480 1.00 14.43 H new ATOM 1452 N ILE A 92 -10.630 2.095 -16.185 1.00 64.42 N ATOM 1453 CA ILE A 92 -11.744 1.197 -15.909 1.00 43.23 C ATOM 1454 C ILE A 92 -11.377 0.181 -14.833 1.00 71.35 C ATOM 1455 O ILE A 92 -10.392 -0.546 -14.961 1.00 71.42 O ATOM 1456 CB ILE A 92 -12.189 0.446 -17.178 1.00 73.43 C ATOM 1457 CG1 ILE A 92 -12.517 1.438 -18.296 1.00 51.42 C ATOM 1458 CG2 ILE A 92 -13.390 -0.437 -16.877 1.00 71.51 C ATOM 1459 CD1 ILE A 92 -11.488 1.462 -19.403 1.00 1.52 C ATOM 0 H ILE A 92 -10.384 2.171 -17.172 1.00 64.42 H new ATOM 0 HA ILE A 92 -12.568 1.816 -15.555 1.00 43.23 H new ATOM 0 HB ILE A 92 -11.369 -0.190 -17.512 1.00 73.43 H new ATOM 0 HG12 ILE A 92 -13.489 1.187 -18.720 1.00 51.42 H new ATOM 0 HG13 ILE A 92 -12.604 2.438 -17.870 1.00 51.42 H new ATOM 0 HG21 ILE A 92 -13.693 -0.961 -17.784 1.00 71.51 H new ATOM 0 HG22 ILE A 92 -13.124 -1.164 -16.109 1.00 71.51 H new ATOM 0 HG23 ILE A 92 -14.215 0.180 -16.522 1.00 71.51 H new ATOM 0 HD11 ILE A 92 -11.785 2.187 -20.160 1.00 1.52 H new ATOM 0 HD12 ILE A 92 -10.518 1.743 -18.992 1.00 1.52 H new ATOM 0 HD13 ILE A 92 -11.417 0.473 -19.856 1.00 1.52 H new ATOM 1471 N ASP A 93 -12.177 0.135 -13.773 1.00 34.04 N ATOM 1472 CA ASP A 93 -11.939 -0.795 -12.675 1.00 51.51 C ATOM 1473 C ASP A 93 -13.100 -1.772 -12.528 1.00 34.55 C ATOM 1474 O ASP A 93 -13.719 -1.863 -11.469 1.00 73.31 O ATOM 1475 CB ASP A 93 -11.732 -0.029 -11.367 1.00 61.14 C ATOM 1476 CG ASP A 93 -11.174 -0.908 -10.264 1.00 12.24 C ATOM 1477 OD1 ASP A 93 -10.745 -2.041 -10.568 1.00 21.43 O ATOM 1478 OD2 ASP A 93 -11.166 -0.463 -9.097 1.00 25.43 O ATOM 0 H ASP A 93 -12.996 0.731 -13.651 1.00 34.04 H new ATOM 0 HA ASP A 93 -11.037 -1.363 -12.902 1.00 51.51 H new ATOM 0 HB2 ASP A 93 -11.053 0.805 -11.541 1.00 61.14 H new ATOM 0 HB3 ASP A 93 -12.682 0.396 -11.044 1.00 61.14 H new ATOM 1483 N VAL A 94 -13.391 -2.502 -13.601 1.00 33.23 N ATOM 1484 CA VAL A 94 -14.479 -3.474 -13.592 1.00 4.11 C ATOM 1485 C VAL A 94 -14.358 -4.424 -12.407 1.00 44.22 C ATOM 1486 O VAL A 94 -13.286 -4.566 -11.817 1.00 0.55 O ATOM 1487 CB VAL A 94 -14.507 -4.296 -14.894 1.00 31.55 C ATOM 1488 CG1 VAL A 94 -14.715 -3.386 -16.095 1.00 35.44 C ATOM 1489 CG2 VAL A 94 -13.226 -5.103 -15.042 1.00 71.31 C ATOM 0 H VAL A 94 -12.889 -2.439 -14.487 1.00 33.23 H new ATOM 0 HA VAL A 94 -15.407 -2.909 -13.507 1.00 4.11 H new ATOM 0 HB VAL A 94 -15.344 -4.992 -14.846 1.00 31.55 H new ATOM 0 HG11 VAL A 94 -14.732 -3.984 -17.006 1.00 35.44 H new ATOM 0 HG12 VAL A 94 -15.662 -2.857 -15.991 1.00 35.44 H new ATOM 0 HG13 VAL A 94 -13.900 -2.664 -16.150 1.00 35.44 H new ATOM 0 HG21 VAL A 94 -13.263 -5.678 -15.967 1.00 71.31 H new ATOM 0 HG22 VAL A 94 -12.371 -4.427 -15.068 1.00 71.31 H new ATOM 0 HG23 VAL A 94 -13.125 -5.783 -14.196 1.00 71.31 H new ATOM 1499 N LYS A 95 -15.463 -5.074 -12.061 1.00 73.34 N ATOM 1500 CA LYS A 95 -15.482 -6.013 -10.946 1.00 73.23 C ATOM 1501 C LYS A 95 -15.119 -7.419 -11.413 1.00 54.42 C ATOM 1502 O LYS A 95 -14.592 -8.222 -10.642 1.00 75.52 O ATOM 1503 CB LYS A 95 -16.863 -6.025 -10.285 1.00 1.04 C ATOM 1504 CG LYS A 95 -17.116 -4.829 -9.383 1.00 32.35 C ATOM 1505 CD LYS A 95 -18.532 -4.302 -9.540 1.00 75.02 C ATOM 1506 CE LYS A 95 -18.615 -3.237 -10.623 1.00 52.14 C ATOM 1507 NZ LYS A 95 -19.237 -1.981 -10.119 1.00 34.21 N ATOM 0 H LYS A 95 -16.359 -4.968 -12.537 1.00 73.34 H new ATOM 0 HA LYS A 95 -14.740 -5.687 -10.217 1.00 73.23 H new ATOM 0 HB2 LYS A 95 -17.628 -6.052 -11.061 1.00 1.04 H new ATOM 0 HB3 LYS A 95 -16.969 -6.939 -9.701 1.00 1.04 H new ATOM 0 HG2 LYS A 95 -16.946 -5.113 -8.345 1.00 32.35 H new ATOM 0 HG3 LYS A 95 -16.404 -4.038 -9.618 1.00 32.35 H new ATOM 0 HD2 LYS A 95 -19.202 -5.125 -9.786 1.00 75.02 H new ATOM 0 HD3 LYS A 95 -18.873 -3.886 -8.592 1.00 75.02 H new ATOM 0 HE2 LYS A 95 -17.614 -3.022 -10.998 1.00 52.14 H new ATOM 0 HE3 LYS A 95 -19.195 -3.618 -11.463 1.00 52.14 H new ATOM 0 HZ1 LYS A 95 -19.275 -1.280 -10.887 1.00 34.21 H new ATOM 0 HZ2 LYS A 95 -20.201 -2.181 -9.784 1.00 34.21 H new ATOM 0 HZ3 LYS A 95 -18.669 -1.603 -9.334 1.00 34.21 H new ATOM 1521 N ASP A 96 -15.401 -7.709 -12.678 1.00 52.15 N ATOM 1522 CA ASP A 96 -15.102 -9.017 -13.248 1.00 13.43 C ATOM 1523 C ASP A 96 -14.538 -8.879 -14.659 1.00 43.52 C ATOM 1524 O ASP A 96 -14.361 -7.770 -15.163 1.00 4.33 O ATOM 1525 CB ASP A 96 -16.360 -9.887 -13.272 1.00 55.21 C ATOM 1526 CG ASP A 96 -17.575 -9.135 -13.774 1.00 24.13 C ATOM 1527 OD1 ASP A 96 -17.743 -9.034 -15.008 1.00 70.33 O ATOM 1528 OD2 ASP A 96 -18.359 -8.645 -12.934 1.00 31.54 O ATOM 0 H ASP A 96 -15.837 -7.055 -13.329 1.00 52.15 H new ATOM 0 HA ASP A 96 -14.350 -9.496 -12.620 1.00 13.43 H new ATOM 0 HB2 ASP A 96 -16.186 -10.755 -13.908 1.00 55.21 H new ATOM 0 HB3 ASP A 96 -16.558 -10.262 -12.268 1.00 55.21 H new ATOM 1533 N THR A 97 -14.254 -10.013 -15.291 1.00 53.12 N ATOM 1534 CA THR A 97 -13.708 -10.020 -16.642 1.00 42.41 C ATOM 1535 C THR A 97 -14.778 -9.672 -17.670 1.00 5.53 C ATOM 1536 O THR A 97 -14.495 -9.034 -18.685 1.00 65.31 O ATOM 1537 CB THR A 97 -13.098 -11.389 -16.996 1.00 72.33 C ATOM 1538 OG1 THR A 97 -12.157 -11.781 -15.990 1.00 1.44 O ATOM 1539 CG2 THR A 97 -12.410 -11.342 -18.352 1.00 44.52 C ATOM 0 H THR A 97 -14.393 -10.940 -14.888 1.00 53.12 H new ATOM 0 HA THR A 97 -12.923 -9.264 -16.668 1.00 42.41 H new ATOM 0 HB THR A 97 -13.905 -12.120 -17.042 1.00 72.33 H new ATOM 0 HG1 THR A 97 -12.570 -11.697 -15.105 1.00 1.44 H new ATOM 0 HG21 THR A 97 -11.987 -12.321 -18.580 1.00 44.52 H new ATOM 0 HG22 THR A 97 -13.136 -11.073 -19.119 1.00 44.52 H new ATOM 0 HG23 THR A 97 -11.613 -10.599 -18.330 1.00 44.52 H new ATOM 1547 N LYS A 98 -16.009 -10.094 -17.401 1.00 73.20 N ATOM 1548 CA LYS A 98 -17.123 -9.826 -18.302 1.00 61.30 C ATOM 1549 C LYS A 98 -17.312 -8.326 -18.502 1.00 61.02 C ATOM 1550 O LYS A 98 -17.346 -7.841 -19.632 1.00 35.15 O ATOM 1551 CB LYS A 98 -18.411 -10.444 -17.751 1.00 4.33 C ATOM 1552 CG LYS A 98 -18.878 -11.666 -18.522 1.00 25.22 C ATOM 1553 CD LYS A 98 -20.169 -11.390 -19.274 1.00 14.15 C ATOM 1554 CE LYS A 98 -20.566 -12.570 -20.149 1.00 64.41 C ATOM 1555 NZ LYS A 98 -19.604 -12.781 -21.266 1.00 70.50 N ATOM 0 H LYS A 98 -16.260 -10.623 -16.566 1.00 73.20 H new ATOM 0 HA LYS A 98 -16.894 -10.278 -19.267 1.00 61.30 H new ATOM 0 HB2 LYS A 98 -18.254 -10.721 -16.708 1.00 4.33 H new ATOM 0 HB3 LYS A 98 -19.200 -9.692 -17.766 1.00 4.33 H new ATOM 0 HG2 LYS A 98 -18.104 -11.971 -19.226 1.00 25.22 H new ATOM 0 HG3 LYS A 98 -19.028 -12.497 -17.833 1.00 25.22 H new ATOM 0 HD2 LYS A 98 -20.967 -11.178 -18.563 1.00 14.15 H new ATOM 0 HD3 LYS A 98 -20.048 -10.501 -19.893 1.00 14.15 H new ATOM 0 HE2 LYS A 98 -20.619 -13.472 -19.540 1.00 64.41 H new ATOM 0 HE3 LYS A 98 -21.563 -12.401 -20.556 1.00 64.41 H new ATOM 0 HZ1 LYS A 98 -20.028 -13.412 -21.975 1.00 70.50 H new ATOM 0 HZ2 LYS A 98 -19.379 -11.867 -21.707 1.00 70.50 H new ATOM 0 HZ3 LYS A 98 -18.732 -13.211 -20.897 1.00 70.50 H new ATOM 1569 N GLU A 99 -17.434 -7.596 -17.398 1.00 1.31 N ATOM 1570 CA GLU A 99 -17.619 -6.151 -17.454 1.00 2.32 C ATOM 1571 C GLU A 99 -16.540 -5.498 -18.313 1.00 12.51 C ATOM 1572 O GLU A 99 -16.813 -4.569 -19.074 1.00 60.54 O ATOM 1573 CB GLU A 99 -17.593 -5.555 -16.045 1.00 52.21 C ATOM 1574 CG GLU A 99 -18.951 -5.544 -15.364 1.00 22.20 C ATOM 1575 CD GLU A 99 -19.795 -4.350 -15.765 1.00 51.20 C ATOM 1576 OE1 GLU A 99 -19.929 -4.101 -16.982 1.00 13.40 O ATOM 1577 OE2 GLU A 99 -20.320 -3.664 -14.864 1.00 71.41 O ATOM 0 H GLU A 99 -17.408 -7.982 -16.454 1.00 1.31 H new ATOM 0 HA GLU A 99 -18.591 -5.953 -17.907 1.00 2.32 H new ATOM 0 HB2 GLU A 99 -16.893 -6.123 -15.432 1.00 52.21 H new ATOM 0 HB3 GLU A 99 -17.214 -4.534 -16.098 1.00 52.21 H new ATOM 0 HG2 GLU A 99 -19.485 -6.461 -15.612 1.00 22.20 H new ATOM 0 HG3 GLU A 99 -18.811 -5.539 -14.283 1.00 22.20 H new ATOM 1584 N ALA A 100 -15.312 -5.990 -18.185 1.00 2.15 N ATOM 1585 CA ALA A 100 -14.191 -5.456 -18.951 1.00 64.33 C ATOM 1586 C ALA A 100 -14.408 -5.648 -20.448 1.00 74.54 C ATOM 1587 O ALA A 100 -14.033 -4.796 -21.254 1.00 31.21 O ATOM 1588 CB ALA A 100 -12.892 -6.116 -18.514 1.00 32.21 C ATOM 0 H ALA A 100 -15.068 -6.757 -17.559 1.00 2.15 H new ATOM 0 HA ALA A 100 -14.125 -4.386 -18.755 1.00 64.33 H new ATOM 0 HB1 ALA A 100 -12.064 -5.708 -19.094 1.00 32.21 H new ATOM 0 HB2 ALA A 100 -12.724 -5.922 -17.455 1.00 32.21 H new ATOM 0 HB3 ALA A 100 -12.956 -7.191 -18.680 1.00 32.21 H new ATOM 1594 N LEU A 101 -15.014 -6.773 -20.813 1.00 10.35 N ATOM 1595 CA LEU A 101 -15.279 -7.078 -22.215 1.00 64.31 C ATOM 1596 C LEU A 101 -16.283 -6.092 -22.806 1.00 45.51 C ATOM 1597 O LEU A 101 -16.214 -5.753 -23.988 1.00 54.15 O ATOM 1598 CB LEU A 101 -15.808 -8.506 -22.356 1.00 45.44 C ATOM 1599 CG LEU A 101 -15.024 -9.422 -23.296 1.00 32.41 C ATOM 1600 CD1 LEU A 101 -15.057 -8.882 -24.717 1.00 30.20 C ATOM 1601 CD2 LEU A 101 -13.588 -9.577 -22.815 1.00 32.21 C ATOM 0 H LEU A 101 -15.331 -7.488 -20.158 1.00 10.35 H new ATOM 0 HA LEU A 101 -14.342 -6.988 -22.764 1.00 64.31 H new ATOM 0 HB2 LEU A 101 -15.827 -8.964 -21.367 1.00 45.44 H new ATOM 0 HB3 LEU A 101 -16.839 -8.457 -22.705 1.00 45.44 H new ATOM 0 HG LEU A 101 -15.495 -10.405 -23.292 1.00 32.41 H new ATOM 0 HD11 LEU A 101 -14.494 -9.547 -25.372 1.00 30.20 H new ATOM 0 HD12 LEU A 101 -16.090 -8.824 -25.060 1.00 30.20 H new ATOM 0 HD13 LEU A 101 -14.611 -7.888 -24.739 1.00 30.20 H new ATOM 0 HD21 LEU A 101 -13.045 -10.232 -23.496 1.00 32.21 H new ATOM 0 HD22 LEU A 101 -13.105 -8.600 -22.789 1.00 32.21 H new ATOM 0 HD23 LEU A 101 -13.584 -10.010 -21.815 1.00 32.21 H new ATOM 1613 N ASP A 102 -17.214 -5.634 -21.975 1.00 10.24 N ATOM 1614 CA ASP A 102 -18.229 -4.684 -22.414 1.00 21.32 C ATOM 1615 C ASP A 102 -17.649 -3.278 -22.521 1.00 5.30 C ATOM 1616 O ASP A 102 -18.053 -2.490 -23.376 1.00 62.00 O ATOM 1617 CB ASP A 102 -19.414 -4.689 -21.447 1.00 10.35 C ATOM 1618 CG ASP A 102 -20.475 -3.673 -21.826 1.00 52.44 C ATOM 1619 OD1 ASP A 102 -21.269 -3.961 -22.744 1.00 31.31 O ATOM 1620 OD2 ASP A 102 -20.509 -2.591 -21.204 1.00 31.14 O ATOM 0 H ASP A 102 -17.286 -5.905 -20.994 1.00 10.24 H new ATOM 0 HA ASP A 102 -18.574 -4.990 -23.402 1.00 21.32 H new ATOM 0 HB2 ASP A 102 -19.859 -5.684 -21.427 1.00 10.35 H new ATOM 0 HB3 ASP A 102 -19.057 -4.479 -20.439 1.00 10.35 H new ATOM 1625 N LYS A 103 -16.699 -2.968 -21.646 1.00 41.43 N ATOM 1626 CA LYS A 103 -16.061 -1.656 -21.640 1.00 54.42 C ATOM 1627 C LYS A 103 -15.160 -1.484 -22.858 1.00 42.42 C ATOM 1628 O LYS A 103 -15.019 -0.380 -23.386 1.00 35.21 O ATOM 1629 CB LYS A 103 -15.245 -1.469 -20.358 1.00 63.11 C ATOM 1630 CG LYS A 103 -16.078 -1.544 -19.091 1.00 42.54 C ATOM 1631 CD LYS A 103 -16.461 -0.161 -18.593 1.00 43.33 C ATOM 1632 CE LYS A 103 -17.505 -0.235 -17.488 1.00 15.04 C ATOM 1633 NZ LYS A 103 -18.758 0.478 -17.861 1.00 44.51 N ATOM 0 H LYS A 103 -16.353 -3.608 -20.931 1.00 41.43 H new ATOM 0 HA LYS A 103 -16.844 -0.898 -21.679 1.00 54.42 H new ATOM 0 HB2 LYS A 103 -14.468 -2.232 -20.317 1.00 63.11 H new ATOM 0 HB3 LYS A 103 -14.742 -0.503 -20.395 1.00 63.11 H new ATOM 0 HG2 LYS A 103 -16.980 -2.126 -19.281 1.00 42.54 H new ATOM 0 HG3 LYS A 103 -15.518 -2.068 -18.317 1.00 42.54 H new ATOM 0 HD2 LYS A 103 -15.574 0.352 -18.223 1.00 43.33 H new ATOM 0 HD3 LYS A 103 -16.849 0.431 -19.422 1.00 43.33 H new ATOM 0 HE2 LYS A 103 -17.732 -1.279 -17.272 1.00 15.04 H new ATOM 0 HE3 LYS A 103 -17.098 0.199 -16.574 1.00 15.04 H new ATOM 0 HZ1 LYS A 103 -19.444 0.405 -17.083 1.00 44.51 H new ATOM 0 HZ2 LYS A 103 -18.546 1.480 -18.043 1.00 44.51 H new ATOM 0 HZ3 LYS A 103 -19.160 0.048 -18.718 1.00 44.51 H new ATOM 1647 N ILE A 104 -14.554 -2.581 -23.300 1.00 5.14 N ATOM 1648 CA ILE A 104 -13.670 -2.550 -24.459 1.00 42.54 C ATOM 1649 C ILE A 104 -14.454 -2.725 -25.754 1.00 60.13 C ATOM 1650 O ILE A 104 -14.095 -2.163 -26.789 1.00 63.41 O ATOM 1651 CB ILE A 104 -12.591 -3.647 -24.372 1.00 23.42 C ATOM 1652 CG1 ILE A 104 -11.779 -3.495 -23.084 1.00 21.41 C ATOM 1653 CG2 ILE A 104 -11.679 -3.590 -25.589 1.00 22.43 C ATOM 1654 CD1 ILE A 104 -10.850 -4.656 -22.815 1.00 53.31 C ATOM 0 H ILE A 104 -14.659 -3.502 -22.873 1.00 5.14 H new ATOM 0 HA ILE A 104 -13.186 -1.574 -24.461 1.00 42.54 H new ATOM 0 HB ILE A 104 -13.083 -4.619 -24.356 1.00 23.42 H new ATOM 0 HG12 ILE A 104 -11.194 -2.577 -23.139 1.00 21.41 H new ATOM 0 HG13 ILE A 104 -12.464 -3.386 -22.243 1.00 21.41 H new ATOM 0 HG21 ILE A 104 -10.922 -4.371 -25.513 1.00 22.43 H new ATOM 0 HG22 ILE A 104 -12.269 -3.743 -26.493 1.00 22.43 H new ATOM 0 HG23 ILE A 104 -11.192 -2.616 -25.634 1.00 22.43 H new ATOM 0 HD11 ILE A 104 -10.307 -4.480 -21.886 1.00 53.31 H new ATOM 0 HD12 ILE A 104 -11.431 -5.574 -22.727 1.00 53.31 H new ATOM 0 HD13 ILE A 104 -10.141 -4.753 -23.637 1.00 53.31 H new