USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 922 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 100 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 87 THR OG1 : rot -89:sc= 1.66 USER MOD Set 2.2: A 90 SER OG : rot 86:sc= -1.94! USER MOD Set 3.1: A 48 HIS : no HE2:sc= -8.65! C(o=-8.4!,f=-11!) USER MOD Set 3.2: A 82 THR OG1 : rot 142:sc= 0.276 USER MOD Set 4.1: A 73 TYR OH : rot 58:sc= 2.17 USER MOD Set 4.2: A 115 TYR OH : rot 173:sc= 0.74 USER MOD Set 5.1: A 30 MET CE :methyl -164:sc= -0.942 (180deg=-1.1) USER MOD Set 5.2: A 44 ASN : amide:sc=-0.00378 K(o=-0.95,f=0.0087) USER MOD Set 6.1: A 35 MET CE :methyl 174:sc= 0 (180deg=-0.0298) USER MOD Set 6.2: A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 7.1: A 34 ASN : amide:sc= -0.116 K(o=-0.14,f=-3.6!) USER MOD Set 7.2: A 37 GLN : amide:sc= -0.0244 K(o=-0.14,f=-1.5!) USER MOD Set 8.1: A 24 THR OG1 : rot 180:sc= 0 USER MOD Set 8.2: A 28 GLN : amide:sc= 0 X(o=0,f=0.19) USER MOD Set 9.1: A 9 GLN : amide:sc= -10.4! C(o=-11!,f=-14!) USER MOD Set 9.2: A 13 MET CE :methyl -138:sc= -0.522 (180deg=-1.94) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 12 HIS : no HD1:sc= -11.2! C(o=-11!,f=-9.2!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 140:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= -0.227 USER MOD Single : A 20 SER OG : rot -56:sc= 0.303 USER MOD Single : A 21 SER OG : rot -153:sc= 0.104 USER MOD Single : A 22 SER OG : rot 180:sc= -1.08 USER MOD Single : A 23 SER OG : rot 180:sc= 0.0828 USER MOD Single : A 25 TYR OH : rot 104:sc= 0.441 USER MOD Single : A 27 ASN : amide:sc= -5.63! C(o=-5.6!,f=-8!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 82:sc= -3.44! USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0515 USER MOD Single : A 55 GLN : amide:sc= -16! C(o=-16!,f=-6.9!) USER MOD Single : A 56 ASN : amide:sc= 1.18 K(o=1.2,f=-0.0043) USER MOD Single : A 60 GLN : amide:sc= -0.367 X(o=-0.37,f=-0.021) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -2.62 K(o=-2.6,f=-0.65) USER MOD Single : A 69 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.18) USER MOD Single : A 71 ASN : amide:sc= -9.31! C(o=-9.3!,f=-10!) USER MOD Single : A 74 LYS NZ :NH3+ -178:sc= -0.115 (180deg=-0.121) USER MOD Single : A 75 SER OG : rot 160:sc= -0.449 USER MOD Single : A 76 ASN : amide:sc= -0.858 K(o=-0.86,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0.121 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 155:sc= -5.46! (180deg=-7.36!) USER MOD Single : A 80 HIS : no HD1:sc= -0.983 K(o=-0.98,f=-0.24) USER MOD Single : A 88 ASN : amide:sc= -0.0455 X(o=-0.045,f=-0.045) USER MOD Single : A 92 TYR OH : rot -173:sc= 0.0919 USER MOD Single : A 94 ASN : amide:sc= -0.609 X(o=-0.61,f=-0.5) USER MOD Single : A 97 TYR OH : rot 62:sc= 0.86 USER MOD Single : A 99 THR OG1 : rot 119:sc= 0.363 USER MOD Single : A 105 HIS : no HD1:sc= -5.06! C(o=-5.1!,f=-4.6!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HD1:sc= -5.96! C(o=-6!,f=-4.7!) USER MOD Single : A 123 SER OG : rot 180:sc= 0.0101 USER MOD ----------------------------------------------------------------- ATOM 49 N ARG A 4 -4.991 0.230 -7.803 1.00 60.32 N ATOM 50 CA ARG A 4 -6.136 -0.653 -7.994 1.00 45.11 C ATOM 51 C ARG A 4 -5.922 -1.568 -9.196 1.00 40.14 C ATOM 52 O ARG A 4 -6.345 -2.723 -9.193 1.00 33.35 O ATOM 53 CB ARG A 4 -7.413 0.167 -8.184 1.00 41.12 C ATOM 54 CG ARG A 4 -8.633 -0.675 -8.521 1.00 2.14 C ATOM 55 CD ARG A 4 -9.662 -0.636 -7.402 1.00 52.11 C ATOM 56 NE ARG A 4 -10.953 -1.169 -7.828 1.00 34.22 N ATOM 57 CZ ARG A 4 -11.901 -1.562 -6.983 1.00 42.15 C ATOM 58 NH1 ARG A 4 -11.702 -1.481 -5.675 1.00 55.10 N ATOM 59 NH2 ARG A 4 -13.050 -2.036 -7.448 1.00 22.34 N ATOM 0 HA ARG A 4 -6.239 -1.271 -7.102 1.00 45.11 H new ATOM 0 HB2 ARG A 4 -7.612 0.731 -7.273 1.00 41.12 H new ATOM 0 HB3 ARG A 4 -7.253 0.894 -8.980 1.00 41.12 H new ATOM 0 HG2 ARG A 4 -9.084 -0.311 -9.444 1.00 2.14 H new ATOM 0 HG3 ARG A 4 -8.327 -1.706 -8.700 1.00 2.14 H new ATOM 0 HD2 ARG A 4 -9.295 -1.211 -6.552 1.00 52.11 H new ATOM 0 HD3 ARG A 4 -9.788 0.392 -7.061 1.00 52.11 H new ATOM 0 HE ARG A 4 -11.137 -1.244 -8.828 1.00 34.22 H new ATOM 0 HH11 ARG A 4 -10.820 -1.116 -5.315 1.00 55.10 H new ATOM 0 HH12 ARG A 4 -12.431 -1.783 -5.029 1.00 55.10 H new ATOM 0 HH21 ARG A 4 -13.206 -2.099 -8.454 1.00 22.34 H new ATOM 0 HH22 ARG A 4 -13.777 -2.337 -6.799 1.00 22.34 H new ATOM 73 N ALA A 5 -5.263 -1.042 -10.224 1.00 31.11 N ATOM 74 CA ALA A 5 -4.992 -1.811 -11.432 1.00 31.51 C ATOM 75 C ALA A 5 -4.255 -3.106 -11.105 1.00 12.24 C ATOM 76 O ALA A 5 -4.412 -4.113 -11.794 1.00 72.54 O ATOM 77 CB ALA A 5 -4.187 -0.979 -12.419 1.00 13.44 C ATOM 0 H ALA A 5 -4.907 -0.086 -10.244 1.00 31.11 H new ATOM 0 HA ALA A 5 -5.947 -2.072 -11.888 1.00 31.51 H new ATOM 0 HB1 ALA A 5 -3.992 -1.567 -13.316 1.00 13.44 H new ATOM 0 HB2 ALA A 5 -4.751 -0.085 -12.686 1.00 13.44 H new ATOM 0 HB3 ALA A 5 -3.241 -0.689 -11.963 1.00 13.44 H new ATOM 83 N LYS A 6 -3.450 -3.072 -10.048 1.00 41.34 N ATOM 84 CA LYS A 6 -2.688 -4.242 -9.628 1.00 52.04 C ATOM 85 C LYS A 6 -3.594 -5.462 -9.498 1.00 23.52 C ATOM 86 O LYS A 6 -3.418 -6.457 -10.202 1.00 55.13 O ATOM 87 CB LYS A 6 -1.988 -3.969 -8.296 1.00 4.45 C ATOM 88 CG LYS A 6 -0.475 -3.887 -8.409 1.00 11.11 C ATOM 89 CD LYS A 6 -0.017 -2.481 -8.761 1.00 34.41 C ATOM 90 CE LYS A 6 0.643 -2.437 -10.130 1.00 51.23 C ATOM 91 NZ LYS A 6 0.977 -1.045 -10.540 1.00 0.41 N ATOM 0 H LYS A 6 -3.309 -2.246 -9.466 1.00 41.34 H new ATOM 0 HA LYS A 6 -1.937 -4.448 -10.390 1.00 52.04 H new ATOM 0 HB2 LYS A 6 -2.364 -3.033 -7.883 1.00 4.45 H new ATOM 0 HB3 LYS A 6 -2.249 -4.757 -7.590 1.00 4.45 H new ATOM 0 HG2 LYS A 6 -0.022 -4.193 -7.466 1.00 11.11 H new ATOM 0 HG3 LYS A 6 -0.128 -4.585 -9.171 1.00 11.11 H new ATOM 0 HD2 LYS A 6 -0.871 -1.804 -8.746 1.00 34.41 H new ATOM 0 HD3 LYS A 6 0.684 -2.126 -8.006 1.00 34.41 H new ATOM 0 HE2 LYS A 6 1.552 -3.039 -10.115 1.00 51.23 H new ATOM 0 HE3 LYS A 6 -0.023 -2.883 -10.869 1.00 51.23 H new ATOM 0 HZ1 LYS A 6 1.425 -1.058 -11.478 1.00 0.41 H new ATOM 0 HZ2 LYS A 6 0.107 -0.476 -10.579 1.00 0.41 H new ATOM 0 HZ3 LYS A 6 1.632 -0.627 -9.849 1.00 0.41 H new ATOM 105 N LYS A 7 -4.563 -5.380 -8.593 1.00 54.12 N ATOM 106 CA LYS A 7 -5.499 -6.476 -8.372 1.00 31.03 C ATOM 107 C LYS A 7 -5.938 -7.093 -9.696 1.00 10.31 C ATOM 108 O LYS A 7 -6.031 -8.314 -9.823 1.00 44.21 O ATOM 109 CB LYS A 7 -6.723 -5.981 -7.597 1.00 44.22 C ATOM 110 CG LYS A 7 -7.179 -6.935 -6.507 1.00 54.31 C ATOM 111 CD LYS A 7 -7.738 -6.186 -5.309 1.00 13.21 C ATOM 112 CE LYS A 7 -6.697 -6.033 -4.211 1.00 65.53 C ATOM 113 NZ LYS A 7 -7.129 -6.682 -2.942 1.00 50.42 N ATOM 0 H LYS A 7 -4.721 -4.565 -8.000 1.00 54.12 H new ATOM 0 HA LYS A 7 -4.990 -7.241 -7.786 1.00 31.03 H new ATOM 0 HB2 LYS A 7 -6.493 -5.014 -7.149 1.00 44.22 H new ATOM 0 HB3 LYS A 7 -7.545 -5.821 -8.295 1.00 44.22 H new ATOM 0 HG2 LYS A 7 -7.940 -7.607 -6.905 1.00 54.31 H new ATOM 0 HG3 LYS A 7 -6.340 -7.555 -6.191 1.00 54.31 H new ATOM 0 HD2 LYS A 7 -8.084 -5.201 -5.623 1.00 13.21 H new ATOM 0 HD3 LYS A 7 -8.605 -6.719 -4.918 1.00 13.21 H new ATOM 0 HE2 LYS A 7 -5.755 -6.471 -4.540 1.00 65.53 H new ATOM 0 HE3 LYS A 7 -6.511 -4.974 -4.032 1.00 65.53 H new ATOM 0 HZ1 LYS A 7 -6.392 -6.555 -2.219 1.00 50.42 H new ATOM 0 HZ2 LYS A 7 -8.015 -6.247 -2.614 1.00 50.42 H new ATOM 0 HZ3 LYS A 7 -7.282 -7.698 -3.106 1.00 50.42 H new ATOM 127 N PHE A 8 -6.206 -6.241 -10.680 1.00 41.11 N ATOM 128 CA PHE A 8 -6.635 -6.703 -11.995 1.00 44.43 C ATOM 129 C PHE A 8 -5.502 -7.433 -12.711 1.00 50.22 C ATOM 130 O PHE A 8 -5.739 -8.366 -13.477 1.00 61.33 O ATOM 131 CB PHE A 8 -7.111 -5.522 -12.843 1.00 55.33 C ATOM 132 CG PHE A 8 -7.488 -5.904 -14.246 1.00 72.40 C ATOM 133 CD1 PHE A 8 -8.714 -6.493 -14.512 1.00 20.30 C ATOM 134 CD2 PHE A 8 -6.617 -5.675 -15.299 1.00 10.14 C ATOM 135 CE1 PHE A 8 -9.063 -6.847 -15.802 1.00 24.23 C ATOM 136 CE2 PHE A 8 -6.960 -6.026 -16.591 1.00 34.24 C ATOM 137 CZ PHE A 8 -8.185 -6.612 -16.842 1.00 74.24 C ATOM 0 H PHE A 8 -6.134 -5.227 -10.592 1.00 41.11 H new ATOM 0 HA PHE A 8 -7.462 -7.399 -11.856 1.00 44.43 H new ATOM 0 HB2 PHE A 8 -7.970 -5.060 -12.358 1.00 55.33 H new ATOM 0 HB3 PHE A 8 -6.323 -4.770 -12.879 1.00 55.33 H new ATOM 0 HD1 PHE A 8 -9.405 -6.678 -13.702 1.00 20.30 H new ATOM 0 HD2 PHE A 8 -5.658 -5.216 -15.108 1.00 10.14 H new ATOM 0 HE1 PHE A 8 -10.021 -7.307 -15.996 1.00 24.23 H new ATOM 0 HE2 PHE A 8 -6.271 -5.842 -17.403 1.00 34.24 H new ATOM 0 HZ PHE A 8 -8.456 -6.886 -17.851 1.00 74.24 H new ATOM 147 N GLN A 9 -4.272 -6.999 -12.455 1.00 62.45 N ATOM 148 CA GLN A 9 -3.103 -7.611 -13.076 1.00 43.12 C ATOM 149 C GLN A 9 -2.944 -9.060 -12.628 1.00 44.10 C ATOM 150 O GLN A 9 -2.900 -9.973 -13.452 1.00 70.51 O ATOM 151 CB GLN A 9 -1.842 -6.817 -12.731 1.00 42.51 C ATOM 152 CG GLN A 9 -1.101 -6.291 -13.950 1.00 61.21 C ATOM 153 CD GLN A 9 -2.038 -5.804 -15.038 1.00 32.34 C ATOM 154 OE1 GLN A 9 -1.827 -6.072 -16.221 1.00 11.02 O ATOM 155 NE2 GLN A 9 -3.082 -5.085 -14.642 1.00 5.43 N ATOM 0 H GLN A 9 -4.059 -6.227 -11.823 1.00 62.45 H new ATOM 0 HA GLN A 9 -3.248 -7.598 -14.156 1.00 43.12 H new ATOM 0 HB2 GLN A 9 -2.115 -5.977 -12.092 1.00 42.51 H new ATOM 0 HB3 GLN A 9 -1.170 -7.452 -12.154 1.00 42.51 H new ATOM 0 HG2 GLN A 9 -0.446 -5.474 -13.648 1.00 61.21 H new ATOM 0 HG3 GLN A 9 -0.463 -7.079 -14.351 1.00 61.21 H new ATOM 0 HE21 GLN A 9 -3.218 -4.887 -13.651 1.00 5.43 H new ATOM 0 HE22 GLN A 9 -3.748 -4.731 -15.329 1.00 5.43 H new ATOM 164 N ARG A 10 -2.857 -9.263 -11.317 1.00 51.34 N ATOM 165 CA ARG A 10 -2.701 -10.601 -10.760 1.00 11.30 C ATOM 166 C ARG A 10 -4.031 -11.349 -10.761 1.00 12.40 C ATOM 167 O ARG A 10 -4.155 -12.414 -10.157 1.00 40.22 O ATOM 168 CB ARG A 10 -2.149 -10.522 -9.335 1.00 53.34 C ATOM 169 CG ARG A 10 -0.638 -10.367 -9.275 1.00 75.21 C ATOM 170 CD ARG A 10 -0.118 -10.527 -7.855 1.00 73.32 C ATOM 171 NE ARG A 10 0.253 -11.909 -7.561 1.00 11.22 N ATOM 172 CZ ARG A 10 0.287 -12.415 -6.333 1.00 53.02 C ATOM 173 NH1 ARG A 10 -0.027 -11.657 -5.291 1.00 71.53 N ATOM 174 NH2 ARG A 10 0.635 -13.682 -6.146 1.00 15.31 N ATOM 0 H ARG A 10 -2.892 -8.518 -10.621 1.00 51.34 H new ATOM 0 HA ARG A 10 -1.996 -11.148 -11.386 1.00 11.30 H new ATOM 0 HB2 ARG A 10 -2.613 -9.680 -8.821 1.00 53.34 H new ATOM 0 HB3 ARG A 10 -2.435 -11.423 -8.793 1.00 53.34 H new ATOM 0 HG2 ARG A 10 -0.169 -11.109 -9.921 1.00 75.21 H new ATOM 0 HG3 ARG A 10 -0.356 -9.386 -9.659 1.00 75.21 H new ATOM 0 HD2 ARG A 10 0.748 -9.881 -7.711 1.00 73.32 H new ATOM 0 HD3 ARG A 10 -0.882 -10.199 -7.150 1.00 73.32 H new ATOM 0 HE ARG A 10 0.499 -12.519 -8.341 1.00 11.22 H new ATOM 0 HH11 ARG A 10 -0.295 -10.683 -5.431 1.00 71.53 H new ATOM 0 HH12 ARG A 10 -0.000 -12.048 -4.349 1.00 71.53 H new ATOM 0 HH21 ARG A 10 0.877 -14.268 -6.945 1.00 15.31 H new ATOM 0 HH22 ARG A 10 0.661 -14.070 -5.203 1.00 15.31 H new ATOM 188 N GLN A 11 -5.022 -10.782 -11.442 1.00 70.43 N ATOM 189 CA GLN A 11 -6.343 -11.395 -11.520 1.00 63.33 C ATOM 190 C GLN A 11 -6.504 -12.177 -12.820 1.00 30.44 C ATOM 191 O GLN A 11 -6.666 -13.398 -12.806 1.00 22.13 O ATOM 192 CB GLN A 11 -7.431 -10.326 -11.416 1.00 55.12 C ATOM 193 CG GLN A 11 -8.115 -10.284 -10.059 1.00 51.31 C ATOM 194 CD GLN A 11 -9.303 -9.342 -10.033 1.00 42.00 C ATOM 195 OE1 GLN A 11 -9.168 -8.163 -9.704 1.00 20.13 O ATOM 196 NE2 GLN A 11 -10.476 -9.858 -10.381 1.00 63.12 N ATOM 0 H GLN A 11 -4.935 -9.900 -11.947 1.00 70.43 H new ATOM 0 HA GLN A 11 -6.444 -12.089 -10.685 1.00 63.33 H new ATOM 0 HB2 GLN A 11 -6.991 -9.350 -11.622 1.00 55.12 H new ATOM 0 HB3 GLN A 11 -8.181 -10.507 -12.186 1.00 55.12 H new ATOM 0 HG2 GLN A 11 -8.446 -11.288 -9.792 1.00 51.31 H new ATOM 0 HG3 GLN A 11 -7.394 -9.974 -9.302 1.00 51.31 H new ATOM 0 HE21 GLN A 11 -10.542 -10.841 -10.647 1.00 63.12 H new ATOM 0 HE22 GLN A 11 -11.311 -9.272 -10.383 1.00 63.12 H new ATOM 205 N HIS A 12 -6.459 -11.466 -13.942 1.00 34.40 N ATOM 206 CA HIS A 12 -6.600 -12.094 -15.251 1.00 34.41 C ATOM 207 C HIS A 12 -5.338 -11.899 -16.086 1.00 34.31 C ATOM 208 O HIS A 12 -5.009 -12.728 -16.934 1.00 34.44 O ATOM 209 CB HIS A 12 -7.809 -11.518 -15.989 1.00 43.32 C ATOM 210 CG HIS A 12 -8.856 -10.958 -15.077 1.00 54.42 C ATOM 211 ND1 HIS A 12 -10.081 -11.560 -14.878 1.00 24.14 N ATOM 212 CD2 HIS A 12 -8.857 -9.844 -14.308 1.00 21.14 C ATOM 213 CE1 HIS A 12 -10.789 -10.841 -14.026 1.00 54.51 C ATOM 214 NE2 HIS A 12 -10.069 -9.794 -13.665 1.00 12.13 N ATOM 0 H HIS A 12 -6.326 -10.455 -13.971 1.00 34.40 H new ATOM 0 HA HIS A 12 -6.752 -13.163 -15.100 1.00 34.41 H new ATOM 0 HB2 HIS A 12 -7.471 -10.733 -16.666 1.00 43.32 H new ATOM 0 HB3 HIS A 12 -8.255 -12.299 -16.604 1.00 43.32 H new ATOM 0 HD2 HIS A 12 -8.054 -9.128 -14.217 1.00 21.14 H new ATOM 0 HE1 HIS A 12 -11.787 -11.070 -13.683 1.00 54.51 H new ATOM 0 HE2 HIS A 12 -10.365 -9.067 -13.014 1.00 12.13 H new ATOM 222 N MET A 13 -4.637 -10.798 -15.840 1.00 43.33 N ATOM 223 CA MET A 13 -3.411 -10.495 -16.570 1.00 2.53 C ATOM 224 C MET A 13 -2.285 -11.436 -16.155 1.00 5.10 C ATOM 225 O MET A 13 -1.687 -11.274 -15.091 1.00 15.44 O ATOM 226 CB MET A 13 -2.993 -9.043 -16.327 1.00 13.11 C ATOM 227 CG MET A 13 -4.156 -8.064 -16.352 1.00 1.14 C ATOM 228 SD MET A 13 -5.022 -8.054 -17.933 1.00 35.52 S ATOM 229 CE MET A 13 -3.712 -7.528 -19.034 1.00 42.30 C ATOM 0 H MET A 13 -4.896 -10.101 -15.142 1.00 43.33 H new ATOM 0 HA MET A 13 -3.606 -10.637 -17.633 1.00 2.53 H new ATOM 0 HB2 MET A 13 -2.492 -8.974 -15.362 1.00 13.11 H new ATOM 0 HB3 MET A 13 -2.266 -8.751 -17.085 1.00 13.11 H new ATOM 0 HG2 MET A 13 -4.859 -8.320 -15.559 1.00 1.14 H new ATOM 0 HG3 MET A 13 -3.786 -7.061 -16.138 1.00 1.14 H new ATOM 0 HE1 MET A 13 -4.105 -6.804 -19.747 1.00 42.30 H new ATOM 0 HE2 MET A 13 -2.912 -7.068 -18.454 1.00 42.30 H new ATOM 0 HE3 MET A 13 -3.320 -8.391 -19.572 1.00 42.30 H new ATOM 239 N ASP A 14 -2.000 -12.419 -17.001 1.00 62.44 N ATOM 240 CA ASP A 14 -0.944 -13.386 -16.723 1.00 34.43 C ATOM 241 C ASP A 14 0.153 -13.313 -17.780 1.00 74.43 C ATOM 242 O ASP A 14 0.951 -14.239 -17.926 1.00 10.13 O ATOM 243 CB ASP A 14 -1.522 -14.802 -16.666 1.00 41.50 C ATOM 244 CG ASP A 14 -1.450 -15.510 -18.004 1.00 61.33 C ATOM 245 OD1 ASP A 14 -0.416 -16.154 -18.281 1.00 5.45 O ATOM 246 OD2 ASP A 14 -2.428 -15.422 -18.775 1.00 73.41 O ATOM 0 H ASP A 14 -2.485 -12.568 -17.886 1.00 62.44 H new ATOM 0 HA ASP A 14 -0.507 -13.141 -15.755 1.00 34.43 H new ATOM 0 HB2 ASP A 14 -0.979 -15.383 -15.921 1.00 41.50 H new ATOM 0 HB3 ASP A 14 -2.561 -14.755 -16.339 1.00 41.50 H new ATOM 251 N SER A 15 0.185 -12.207 -18.517 1.00 33.41 N ATOM 252 CA SER A 15 1.181 -12.016 -19.565 1.00 14.53 C ATOM 253 C SER A 15 2.492 -12.705 -19.200 1.00 41.35 C ATOM 254 O SER A 15 3.183 -13.244 -20.065 1.00 24.45 O ATOM 255 CB SER A 15 1.423 -10.523 -19.800 1.00 25.43 C ATOM 256 OG SER A 15 1.663 -9.847 -18.578 1.00 34.04 O ATOM 0 H SER A 15 -0.467 -11.430 -18.408 1.00 33.41 H new ATOM 0 HA SER A 15 0.799 -12.464 -20.482 1.00 14.53 H new ATOM 0 HB2 SER A 15 2.275 -10.390 -20.466 1.00 25.43 H new ATOM 0 HB3 SER A 15 0.558 -10.085 -20.298 1.00 25.43 H new ATOM 0 HG SER A 15 1.816 -8.895 -18.755 1.00 34.04 H new ATOM 262 N ASP A 16 2.828 -12.682 -17.915 1.00 52.14 N ATOM 263 CA ASP A 16 4.056 -13.305 -17.435 1.00 34.03 C ATOM 264 C ASP A 16 4.305 -14.633 -18.144 1.00 13.34 C ATOM 265 O ASP A 16 5.397 -14.880 -18.653 1.00 45.05 O ATOM 266 CB ASP A 16 3.983 -13.526 -15.923 1.00 11.50 C ATOM 267 CG ASP A 16 4.200 -12.245 -15.140 1.00 74.51 C ATOM 268 OD1 ASP A 16 3.523 -11.241 -15.446 1.00 4.21 O ATOM 269 OD2 ASP A 16 5.045 -12.249 -14.221 1.00 52.41 O ATOM 0 H ASP A 16 2.267 -12.239 -17.187 1.00 52.14 H new ATOM 0 HA ASP A 16 4.886 -12.634 -17.657 1.00 34.03 H new ATOM 0 HB2 ASP A 16 3.010 -13.945 -15.666 1.00 11.50 H new ATOM 0 HB3 ASP A 16 4.734 -14.260 -15.629 1.00 11.50 H new ATOM 274 N SER A 17 3.284 -15.484 -18.170 1.00 43.05 N ATOM 275 CA SER A 17 3.394 -16.789 -18.812 1.00 50.34 C ATOM 276 C SER A 17 3.093 -16.687 -20.305 1.00 32.15 C ATOM 277 O SER A 17 2.770 -15.613 -20.812 1.00 71.22 O ATOM 278 CB SER A 17 2.439 -17.786 -18.154 1.00 73.24 C ATOM 279 OG SER A 17 3.125 -18.622 -17.238 1.00 41.35 O ATOM 0 H SER A 17 2.372 -15.294 -17.754 1.00 43.05 H new ATOM 0 HA SER A 17 4.418 -17.142 -18.689 1.00 50.34 H new ATOM 0 HB2 SER A 17 1.646 -17.247 -17.635 1.00 73.24 H new ATOM 0 HB3 SER A 17 1.961 -18.396 -18.920 1.00 73.24 H new ATOM 0 HG SER A 17 2.571 -18.757 -16.441 1.00 41.35 H new ATOM 285 N SER A 18 3.201 -17.814 -21.002 1.00 0.43 N ATOM 286 CA SER A 18 2.944 -17.852 -22.437 1.00 24.24 C ATOM 287 C SER A 18 1.714 -18.699 -22.746 1.00 15.02 C ATOM 288 O SER A 18 1.386 -19.648 -22.033 1.00 10.44 O ATOM 289 CB SER A 18 4.161 -18.410 -23.179 1.00 15.42 C ATOM 290 OG SER A 18 4.631 -17.490 -24.149 1.00 63.30 O ATOM 0 H SER A 18 3.465 -18.712 -20.597 1.00 0.43 H new ATOM 0 HA SER A 18 2.756 -16.833 -22.775 1.00 24.24 H new ATOM 0 HB2 SER A 18 4.956 -18.630 -22.467 1.00 15.42 H new ATOM 0 HB3 SER A 18 3.897 -19.350 -23.663 1.00 15.42 H new ATOM 0 HG SER A 18 5.410 -17.868 -24.608 1.00 63.30 H new ATOM 296 N PRO A 19 1.014 -18.349 -23.835 1.00 41.04 N ATOM 297 CA PRO A 19 -0.192 -19.063 -24.265 1.00 65.55 C ATOM 298 C PRO A 19 0.119 -20.460 -24.793 1.00 45.25 C ATOM 299 O PRO A 19 1.261 -20.917 -24.733 1.00 51.41 O ATOM 300 CB PRO A 19 -0.747 -18.180 -25.385 1.00 51.22 C ATOM 301 CG PRO A 19 0.437 -17.444 -25.910 1.00 63.10 C ATOM 302 CD PRO A 19 1.347 -17.229 -24.732 1.00 33.11 C ATOM 0 HA PRO A 19 -0.889 -19.219 -23.441 1.00 65.55 H new ATOM 0 HB2 PRO A 19 -1.218 -18.779 -26.164 1.00 51.22 H new ATOM 0 HB3 PRO A 19 -1.505 -17.493 -25.009 1.00 51.22 H new ATOM 0 HG2 PRO A 19 0.938 -18.017 -26.691 1.00 63.10 H new ATOM 0 HG3 PRO A 19 0.141 -16.493 -26.353 1.00 63.10 H new ATOM 0 HD2 PRO A 19 2.396 -17.248 -25.026 1.00 33.11 H new ATOM 0 HD3 PRO A 19 1.167 -16.265 -24.256 1.00 33.11 H new ATOM 310 N SER A 20 -0.903 -21.133 -25.311 1.00 40.14 N ATOM 311 CA SER A 20 -0.739 -22.479 -25.847 1.00 60.22 C ATOM 312 C SER A 20 -0.364 -23.462 -24.742 1.00 11.20 C ATOM 313 O SER A 20 0.570 -24.250 -24.888 1.00 32.42 O ATOM 314 CB SER A 20 0.332 -22.489 -26.939 1.00 65.22 C ATOM 315 OG SER A 20 0.358 -23.733 -27.617 1.00 73.25 O ATOM 0 H SER A 20 -1.854 -20.768 -25.371 1.00 40.14 H new ATOM 0 HA SER A 20 -1.690 -22.790 -26.278 1.00 60.22 H new ATOM 0 HB2 SER A 20 0.137 -21.687 -27.651 1.00 65.22 H new ATOM 0 HB3 SER A 20 1.309 -22.292 -26.497 1.00 65.22 H new ATOM 0 HG SER A 20 0.493 -24.456 -26.969 1.00 73.25 H new ATOM 321 N SER A 21 -1.100 -23.408 -23.636 1.00 43.22 N ATOM 322 CA SER A 21 -0.843 -24.290 -22.504 1.00 11.34 C ATOM 323 C SER A 21 -1.421 -25.679 -22.755 1.00 15.12 C ATOM 324 O SER A 21 -0.684 -26.639 -22.981 1.00 15.34 O ATOM 325 CB SER A 21 -1.441 -23.700 -21.225 1.00 1.51 C ATOM 326 OG SER A 21 -0.930 -22.401 -20.975 1.00 74.41 O ATOM 0 H SER A 21 -1.878 -22.763 -23.500 1.00 43.22 H new ATOM 0 HA SER A 21 0.237 -24.381 -22.384 1.00 11.34 H new ATOM 0 HB2 SER A 21 -2.526 -23.656 -21.314 1.00 1.51 H new ATOM 0 HB3 SER A 21 -1.216 -24.351 -20.380 1.00 1.51 H new ATOM 0 HG SER A 21 -0.958 -22.218 -20.013 1.00 74.41 H new ATOM 332 N SER A 22 -2.746 -25.778 -22.714 1.00 13.24 N ATOM 333 CA SER A 22 -3.425 -27.050 -22.933 1.00 12.41 C ATOM 334 C SER A 22 -3.108 -28.035 -21.812 1.00 64.14 C ATOM 335 O SER A 22 -3.051 -29.245 -22.032 1.00 52.13 O ATOM 336 CB SER A 22 -3.016 -27.644 -24.282 1.00 30.33 C ATOM 337 OG SER A 22 -3.291 -26.744 -25.341 1.00 13.23 O ATOM 0 H SER A 22 -3.371 -24.993 -22.531 1.00 13.24 H new ATOM 0 HA SER A 22 -4.499 -26.865 -22.937 1.00 12.41 H new ATOM 0 HB2 SER A 22 -1.952 -27.882 -24.270 1.00 30.33 H new ATOM 0 HB3 SER A 22 -3.550 -28.579 -24.448 1.00 30.33 H new ATOM 0 HG SER A 22 -3.019 -27.147 -26.192 1.00 13.23 H new ATOM 343 N SER A 23 -2.901 -27.508 -20.610 1.00 2.31 N ATOM 344 CA SER A 23 -2.585 -28.339 -19.454 1.00 70.35 C ATOM 345 C SER A 23 -3.200 -27.760 -18.184 1.00 60.30 C ATOM 346 O SER A 23 -3.886 -26.738 -18.221 1.00 73.45 O ATOM 347 CB SER A 23 -1.069 -28.465 -19.289 1.00 73.53 C ATOM 348 OG SER A 23 -0.524 -27.306 -18.685 1.00 1.33 O ATOM 0 H SER A 23 -2.946 -26.509 -20.411 1.00 2.31 H new ATOM 0 HA SER A 23 -3.008 -29.329 -19.623 1.00 70.35 H new ATOM 0 HB2 SER A 23 -0.838 -29.339 -18.680 1.00 73.53 H new ATOM 0 HB3 SER A 23 -0.606 -28.623 -20.263 1.00 73.53 H new ATOM 0 HG SER A 23 0.446 -27.412 -18.589 1.00 1.33 H new ATOM 354 N THR A 24 -2.949 -28.421 -17.058 1.00 60.21 N ATOM 355 CA THR A 24 -3.478 -27.975 -15.776 1.00 2.55 C ATOM 356 C THR A 24 -3.019 -26.556 -15.456 1.00 32.44 C ATOM 357 O THR A 24 -3.340 -26.014 -14.398 1.00 10.40 O ATOM 358 CB THR A 24 -3.045 -28.912 -14.632 1.00 53.04 C ATOM 359 OG1 THR A 24 -1.620 -29.044 -14.620 1.00 64.42 O ATOM 360 CG2 THR A 24 -3.686 -30.283 -14.785 1.00 62.35 C ATOM 0 H THR A 24 -2.382 -29.268 -17.009 1.00 60.21 H new ATOM 0 HA THR A 24 -4.565 -27.993 -15.859 1.00 2.55 H new ATOM 0 HB THR A 24 -3.376 -28.477 -13.689 1.00 53.04 H new ATOM 0 HG1 THR A 24 -1.353 -29.640 -13.889 1.00 64.42 H new ATOM 0 HG21 THR A 24 -3.366 -30.928 -13.966 1.00 62.35 H new ATOM 0 HG22 THR A 24 -4.771 -30.182 -14.764 1.00 62.35 H new ATOM 0 HG23 THR A 24 -3.381 -30.723 -15.734 1.00 62.35 H new ATOM 368 N TYR A 25 -2.268 -25.961 -16.375 1.00 71.02 N ATOM 369 CA TYR A 25 -1.764 -24.606 -16.190 1.00 2.53 C ATOM 370 C TYR A 25 -2.744 -23.766 -15.375 1.00 62.44 C ATOM 371 O TYR A 25 -2.389 -23.211 -14.335 1.00 50.13 O ATOM 372 CB TYR A 25 -1.511 -23.943 -17.545 1.00 54.11 C ATOM 373 CG TYR A 25 -1.321 -22.445 -17.461 1.00 31.32 C ATOM 374 CD1 TYR A 25 -0.087 -21.899 -17.131 1.00 20.33 C ATOM 375 CD2 TYR A 25 -2.376 -21.576 -17.713 1.00 23.25 C ATOM 376 CE1 TYR A 25 0.091 -20.532 -17.052 1.00 0.31 C ATOM 377 CE2 TYR A 25 -2.206 -20.207 -17.638 1.00 35.25 C ATOM 378 CZ TYR A 25 -0.972 -19.690 -17.306 1.00 45.13 C ATOM 379 OH TYR A 25 -0.798 -18.327 -17.230 1.00 41.12 O ATOM 0 H TYR A 25 -1.995 -26.396 -17.256 1.00 71.02 H new ATOM 0 HA TYR A 25 -0.824 -24.668 -15.642 1.00 2.53 H new ATOM 0 HB2 TYR A 25 -0.625 -24.388 -17.998 1.00 54.11 H new ATOM 0 HB3 TYR A 25 -2.350 -24.158 -18.207 1.00 54.11 H new ATOM 0 HD1 TYR A 25 0.748 -22.555 -16.933 1.00 20.33 H new ATOM 0 HD2 TYR A 25 -3.345 -21.978 -17.972 1.00 23.25 H new ATOM 0 HE1 TYR A 25 1.057 -20.124 -16.793 1.00 0.31 H new ATOM 0 HE2 TYR A 25 -3.036 -19.545 -17.838 1.00 35.25 H new ATOM 0 HH TYR A 25 -0.749 -17.953 -18.134 1.00 41.12 H new ATOM 389 N CYS A 26 -3.980 -23.679 -15.856 1.00 65.41 N ATOM 390 CA CYS A 26 -5.013 -22.909 -15.175 1.00 31.20 C ATOM 391 C CYS A 26 -5.357 -23.534 -13.826 1.00 1.01 C ATOM 392 O CYS A 26 -5.343 -22.860 -12.797 1.00 30.12 O ATOM 393 CB CYS A 26 -6.269 -22.822 -16.044 1.00 13.21 C ATOM 394 SG CYS A 26 -6.184 -21.554 -17.349 1.00 1.30 S ATOM 0 H CYS A 26 -4.290 -24.133 -16.715 1.00 65.41 H new ATOM 0 HA CYS A 26 -4.628 -21.904 -15.002 1.00 31.20 H new ATOM 0 HB2 CYS A 26 -6.446 -23.793 -16.507 1.00 13.21 H new ATOM 0 HB3 CYS A 26 -7.127 -22.613 -15.404 1.00 13.21 H new ATOM 399 N ASN A 27 -5.665 -24.827 -13.840 1.00 42.20 N ATOM 400 CA ASN A 27 -6.013 -25.543 -12.618 1.00 64.12 C ATOM 401 C ASN A 27 -5.167 -25.059 -11.444 1.00 50.33 C ATOM 402 O ASN A 27 -5.683 -24.817 -10.354 1.00 32.14 O ATOM 403 CB ASN A 27 -5.821 -27.049 -12.813 1.00 4.54 C ATOM 404 CG ASN A 27 -5.909 -27.816 -11.508 1.00 2.15 C ATOM 405 OD1 ASN A 27 -6.028 -27.225 -10.434 1.00 72.20 O ATOM 406 ND2 ASN A 27 -5.850 -29.140 -11.595 1.00 10.33 N ATOM 0 H ASN A 27 -5.681 -25.400 -14.684 1.00 42.20 H new ATOM 0 HA ASN A 27 -7.061 -25.342 -12.395 1.00 64.12 H new ATOM 0 HB2 ASN A 27 -6.578 -27.423 -13.503 1.00 4.54 H new ATOM 0 HB3 ASN A 27 -4.851 -27.232 -13.274 1.00 4.54 H new ATOM 0 HD21 ASN A 27 -5.904 -29.709 -10.750 1.00 10.33 H new ATOM 0 HD22 ASN A 27 -5.751 -29.587 -12.506 1.00 10.33 H new ATOM 413 N GLN A 28 -3.866 -24.919 -11.677 1.00 40.11 N ATOM 414 CA GLN A 28 -2.949 -24.463 -10.639 1.00 32.42 C ATOM 415 C GLN A 28 -2.818 -22.944 -10.656 1.00 74.04 C ATOM 416 O GLN A 28 -3.084 -22.277 -9.657 1.00 25.12 O ATOM 417 CB GLN A 28 -1.574 -25.108 -10.824 1.00 53.33 C ATOM 418 CG GLN A 28 -1.441 -26.463 -10.148 1.00 52.31 C ATOM 419 CD GLN A 28 -0.281 -27.274 -10.690 1.00 41.01 C ATOM 420 OE1 GLN A 28 0.783 -27.346 -10.074 1.00 52.21 O ATOM 421 NE2 GLN A 28 -0.480 -27.891 -11.849 1.00 41.10 N ATOM 0 H GLN A 28 -3.423 -25.115 -12.575 1.00 40.11 H new ATOM 0 HA GLN A 28 -3.356 -24.763 -9.673 1.00 32.42 H new ATOM 0 HB2 GLN A 28 -1.376 -25.222 -11.890 1.00 53.33 H new ATOM 0 HB3 GLN A 28 -0.811 -24.437 -10.428 1.00 53.33 H new ATOM 0 HG2 GLN A 28 -1.309 -26.318 -9.076 1.00 52.31 H new ATOM 0 HG3 GLN A 28 -2.366 -27.024 -10.282 1.00 52.31 H new ATOM 0 HE21 GLN A 28 -1.378 -27.804 -12.325 1.00 41.10 H new ATOM 0 HE22 GLN A 28 0.265 -28.452 -12.263 1.00 41.10 H new ATOM 430 N MET A 29 -2.408 -22.404 -11.799 1.00 4.30 N ATOM 431 CA MET A 29 -2.242 -20.962 -11.946 1.00 75.24 C ATOM 432 C MET A 29 -3.253 -20.209 -11.088 1.00 12.34 C ATOM 433 O MET A 29 -2.882 -19.514 -10.142 1.00 32.44 O ATOM 434 CB MET A 29 -2.399 -20.557 -13.413 1.00 53.32 C ATOM 435 CG MET A 29 -1.111 -20.662 -14.214 1.00 34.22 C ATOM 436 SD MET A 29 -0.115 -19.162 -14.128 1.00 54.41 S ATOM 437 CE MET A 29 1.413 -19.808 -13.455 1.00 44.11 C ATOM 0 H MET A 29 -2.185 -22.942 -12.636 1.00 4.30 H new ATOM 0 HA MET A 29 -1.239 -20.700 -11.609 1.00 75.24 H new ATOM 0 HB2 MET A 29 -3.158 -21.188 -13.876 1.00 53.32 H new ATOM 0 HB3 MET A 29 -2.764 -19.531 -13.461 1.00 53.32 H new ATOM 0 HG2 MET A 29 -0.526 -21.504 -13.844 1.00 34.22 H new ATOM 0 HG3 MET A 29 -1.352 -20.874 -15.256 1.00 34.22 H new ATOM 0 HE1 MET A 29 2.133 -18.997 -13.343 1.00 44.11 H new ATOM 0 HE2 MET A 29 1.220 -20.259 -12.482 1.00 44.11 H new ATOM 0 HE3 MET A 29 1.818 -20.562 -14.130 1.00 44.11 H new ATOM 447 N MET A 30 -4.531 -20.350 -11.424 1.00 31.30 N ATOM 448 CA MET A 30 -5.595 -19.683 -10.682 1.00 63.02 C ATOM 449 C MET A 30 -5.406 -19.864 -9.179 1.00 45.15 C ATOM 450 O MET A 30 -5.609 -18.931 -8.402 1.00 62.12 O ATOM 451 CB MET A 30 -6.960 -20.228 -11.105 1.00 51.04 C ATOM 452 CG MET A 30 -7.636 -19.400 -12.186 1.00 74.12 C ATOM 453 SD MET A 30 -8.835 -18.230 -11.517 1.00 65.43 S ATOM 454 CE MET A 30 -7.810 -16.776 -11.313 1.00 3.31 C ATOM 0 H MET A 30 -4.855 -20.920 -12.205 1.00 31.30 H new ATOM 0 HA MET A 30 -5.550 -18.618 -10.910 1.00 63.02 H new ATOM 0 HB2 MET A 30 -6.839 -21.250 -11.464 1.00 51.04 H new ATOM 0 HB3 MET A 30 -7.611 -20.272 -10.232 1.00 51.04 H new ATOM 0 HG2 MET A 30 -6.878 -18.855 -12.749 1.00 74.12 H new ATOM 0 HG3 MET A 30 -8.137 -20.066 -12.888 1.00 74.12 H new ATOM 0 HE1 MET A 30 -8.313 -16.065 -10.657 1.00 3.31 H new ATOM 0 HE2 MET A 30 -6.855 -17.063 -10.873 1.00 3.31 H new ATOM 0 HE3 MET A 30 -7.637 -16.314 -12.285 1.00 3.31 H new ATOM 464 N ARG A 31 -5.016 -21.069 -8.777 1.00 61.24 N ATOM 465 CA ARG A 31 -4.801 -21.372 -7.368 1.00 11.15 C ATOM 466 C ARG A 31 -3.569 -20.644 -6.837 1.00 35.23 C ATOM 467 O ARG A 31 -3.663 -19.841 -5.909 1.00 10.42 O ATOM 468 CB ARG A 31 -4.642 -22.880 -7.166 1.00 62.03 C ATOM 469 CG ARG A 31 -3.981 -23.252 -5.849 1.00 33.31 C ATOM 470 CD ARG A 31 -2.625 -23.904 -6.070 1.00 75.32 C ATOM 471 NE ARG A 31 -2.185 -24.661 -4.901 1.00 45.33 N ATOM 472 CZ ARG A 31 -2.553 -25.913 -4.654 1.00 53.41 C ATOM 473 NH1 ARG A 31 -3.365 -26.546 -5.490 1.00 43.40 N ATOM 474 NH2 ARG A 31 -2.110 -26.534 -3.569 1.00 22.21 N ATOM 0 H ARG A 31 -4.842 -21.852 -9.408 1.00 61.24 H new ATOM 0 HA ARG A 31 -5.673 -21.028 -6.812 1.00 11.15 H new ATOM 0 HB2 ARG A 31 -5.624 -23.350 -7.215 1.00 62.03 H new ATOM 0 HB3 ARG A 31 -4.052 -23.288 -7.987 1.00 62.03 H new ATOM 0 HG2 ARG A 31 -3.861 -22.359 -5.236 1.00 33.31 H new ATOM 0 HG3 ARG A 31 -4.628 -23.933 -5.296 1.00 33.31 H new ATOM 0 HD2 ARG A 31 -2.678 -24.568 -6.933 1.00 75.32 H new ATOM 0 HD3 ARG A 31 -1.887 -23.136 -6.304 1.00 75.32 H new ATOM 0 HE ARG A 31 -1.560 -24.203 -4.237 1.00 45.33 H new ATOM 0 HH11 ARG A 31 -3.708 -26.071 -6.325 1.00 43.40 H new ATOM 0 HH12 ARG A 31 -3.646 -27.508 -5.298 1.00 43.40 H new ATOM 0 HH21 ARG A 31 -1.486 -26.050 -2.923 1.00 22.21 H new ATOM 0 HH22 ARG A 31 -2.393 -27.496 -3.380 1.00 22.21 H new ATOM 488 N ARG A 32 -2.416 -20.932 -7.431 1.00 73.05 N ATOM 489 CA ARG A 32 -1.166 -20.307 -7.017 1.00 52.45 C ATOM 490 C ARG A 32 -1.365 -18.817 -6.754 1.00 2.15 C ATOM 491 O ARG A 32 -0.597 -18.199 -6.016 1.00 23.33 O ATOM 492 CB ARG A 32 -0.092 -20.507 -8.088 1.00 41.01 C ATOM 493 CG ARG A 32 1.286 -20.025 -7.666 1.00 3.13 C ATOM 494 CD ARG A 32 2.275 -21.177 -7.572 1.00 12.40 C ATOM 495 NE ARG A 32 3.638 -20.754 -7.882 1.00 60.51 N ATOM 496 CZ ARG A 32 4.720 -21.409 -7.477 1.00 23.33 C ATOM 497 NH1 ARG A 32 4.599 -22.511 -6.749 1.00 71.01 N ATOM 498 NH2 ARG A 32 5.927 -20.962 -7.799 1.00 64.44 N ATOM 0 H ARG A 32 -2.322 -21.594 -8.201 1.00 73.05 H new ATOM 0 HA ARG A 32 -0.840 -20.782 -6.092 1.00 52.45 H new ATOM 0 HB2 ARG A 32 -0.036 -21.566 -8.341 1.00 41.01 H new ATOM 0 HB3 ARG A 32 -0.391 -19.979 -8.993 1.00 41.01 H new ATOM 0 HG2 ARG A 32 1.650 -19.289 -8.383 1.00 3.13 H new ATOM 0 HG3 ARG A 32 1.217 -19.523 -6.701 1.00 3.13 H new ATOM 0 HD2 ARG A 32 2.246 -21.599 -6.567 1.00 12.40 H new ATOM 0 HD3 ARG A 32 1.976 -21.969 -8.259 1.00 12.40 H new ATOM 0 HE ARG A 32 3.766 -19.910 -8.440 1.00 60.51 H new ATOM 0 HH11 ARG A 32 3.673 -22.858 -6.499 1.00 71.01 H new ATOM 0 HH12 ARG A 32 5.432 -23.012 -6.440 1.00 71.01 H new ATOM 0 HH21 ARG A 32 6.025 -20.114 -8.358 1.00 64.44 H new ATOM 0 HH22 ARG A 32 6.757 -21.466 -7.487 1.00 64.44 H new ATOM 512 N ARG A 33 -2.400 -18.246 -7.362 1.00 23.44 N ATOM 513 CA ARG A 33 -2.698 -16.829 -7.194 1.00 32.23 C ATOM 514 C ARG A 33 -3.446 -16.582 -5.887 1.00 34.40 C ATOM 515 O ARG A 33 -4.053 -15.529 -5.697 1.00 43.01 O ATOM 516 CB ARG A 33 -3.527 -16.318 -8.373 1.00 53.41 C ATOM 517 CG ARG A 33 -2.848 -16.501 -9.720 1.00 43.33 C ATOM 518 CD ARG A 33 -1.902 -15.351 -10.028 1.00 4.42 C ATOM 519 NE ARG A 33 -0.911 -15.712 -11.038 1.00 24.22 N ATOM 520 CZ ARG A 33 0.236 -15.063 -11.208 1.00 72.10 C ATOM 521 NH1 ARG A 33 0.534 -14.025 -10.439 1.00 24.21 N ATOM 522 NH2 ARG A 33 1.087 -15.452 -12.149 1.00 34.41 N ATOM 0 H ARG A 33 -3.046 -18.743 -7.975 1.00 23.44 H new ATOM 0 HA ARG A 33 -1.754 -16.286 -7.160 1.00 32.23 H new ATOM 0 HB2 ARG A 33 -4.485 -16.838 -8.385 1.00 53.41 H new ATOM 0 HB3 ARG A 33 -3.741 -15.260 -8.224 1.00 53.41 H new ATOM 0 HG2 ARG A 33 -2.295 -17.440 -9.725 1.00 43.33 H new ATOM 0 HG3 ARG A 33 -3.603 -16.572 -10.503 1.00 43.33 H new ATOM 0 HD2 ARG A 33 -2.477 -14.492 -10.375 1.00 4.42 H new ATOM 0 HD3 ARG A 33 -1.393 -15.046 -9.114 1.00 4.42 H new ATOM 0 HE ARG A 33 -1.110 -16.506 -11.646 1.00 24.22 H new ATOM 0 HH11 ARG A 33 -0.118 -13.723 -9.715 1.00 24.21 H new ATOM 0 HH12 ARG A 33 1.415 -13.528 -10.571 1.00 24.21 H new ATOM 0 HH21 ARG A 33 0.861 -16.250 -12.743 1.00 34.41 H new ATOM 0 HH22 ARG A 33 1.967 -14.953 -12.279 1.00 34.41 H new ATOM 536 N ASN A 34 -3.399 -17.562 -4.990 1.00 10.22 N ATOM 537 CA ASN A 34 -4.073 -17.451 -3.701 1.00 73.33 C ATOM 538 C ASN A 34 -5.557 -17.150 -3.888 1.00 33.30 C ATOM 539 O ASN A 34 -6.130 -16.332 -3.169 1.00 32.52 O ATOM 540 CB ASN A 34 -3.422 -16.357 -2.854 1.00 11.43 C ATOM 541 CG ASN A 34 -2.281 -16.884 -2.006 1.00 45.10 C ATOM 542 OD1 ASN A 34 -1.967 -18.074 -2.038 1.00 33.11 O ATOM 543 ND2 ASN A 34 -1.653 -15.998 -1.242 1.00 3.41 N ATOM 0 H ASN A 34 -2.902 -18.441 -5.132 1.00 10.22 H new ATOM 0 HA ASN A 34 -3.976 -18.406 -3.185 1.00 73.33 H new ATOM 0 HB2 ASN A 34 -3.051 -15.568 -3.508 1.00 11.43 H new ATOM 0 HB3 ASN A 34 -4.174 -15.907 -2.206 1.00 11.43 H new ATOM 0 HD21 ASN A 34 -0.877 -16.294 -0.650 1.00 3.41 H new ATOM 0 HD22 ASN A 34 -1.947 -15.021 -1.247 1.00 3.41 H new ATOM 550 N MET A 35 -6.173 -17.818 -4.858 1.00 54.21 N ATOM 551 CA MET A 35 -7.591 -17.623 -5.138 1.00 73.10 C ATOM 552 C MET A 35 -8.380 -18.900 -4.863 1.00 41.51 C ATOM 553 O MET A 35 -9.608 -18.914 -4.952 1.00 32.54 O ATOM 554 CB MET A 35 -7.791 -17.189 -6.591 1.00 72.34 C ATOM 555 CG MET A 35 -8.476 -15.840 -6.734 1.00 41.30 C ATOM 556 SD MET A 35 -7.317 -14.509 -7.104 1.00 53.34 S ATOM 557 CE MET A 35 -8.445 -13.202 -7.583 1.00 43.13 C ATOM 0 H MET A 35 -5.713 -18.498 -5.463 1.00 54.21 H new ATOM 0 HA MET A 35 -7.962 -16.839 -4.478 1.00 73.10 H new ATOM 0 HB2 MET A 35 -6.821 -17.149 -7.086 1.00 72.34 H new ATOM 0 HB3 MET A 35 -8.382 -17.944 -7.109 1.00 72.34 H new ATOM 0 HG2 MET A 35 -9.222 -15.898 -7.527 1.00 41.30 H new ATOM 0 HG3 MET A 35 -9.008 -15.607 -5.812 1.00 41.30 H new ATOM 0 HE1 MET A 35 -7.887 -12.279 -7.739 1.00 43.13 H new ATOM 0 HE2 MET A 35 -8.953 -13.480 -8.507 1.00 43.13 H new ATOM 0 HE3 MET A 35 -9.183 -13.051 -6.795 1.00 43.13 H new ATOM 567 N THR A 36 -7.667 -19.971 -4.529 1.00 45.42 N ATOM 568 CA THR A 36 -8.300 -21.252 -4.243 1.00 5.31 C ATOM 569 C THR A 36 -8.032 -21.688 -2.807 1.00 71.52 C ATOM 570 O THR A 36 -8.189 -22.861 -2.467 1.00 2.43 O ATOM 571 CB THR A 36 -7.804 -22.350 -5.202 1.00 62.14 C ATOM 572 OG1 THR A 36 -6.398 -22.555 -5.027 1.00 65.44 O ATOM 573 CG2 THR A 36 -8.091 -21.975 -6.649 1.00 24.25 C ATOM 0 H THR A 36 -6.650 -19.976 -4.450 1.00 45.42 H new ATOM 0 HA THR A 36 -9.372 -21.114 -4.384 1.00 5.31 H new ATOM 0 HB THR A 36 -8.337 -23.272 -4.970 1.00 62.14 H new ATOM 0 HG1 THR A 36 -6.246 -23.143 -4.258 1.00 65.44 H new ATOM 0 HG21 THR A 36 -7.732 -22.766 -7.308 1.00 24.25 H new ATOM 0 HG22 THR A 36 -9.165 -21.849 -6.786 1.00 24.25 H new ATOM 0 HG23 THR A 36 -7.582 -21.042 -6.891 1.00 24.25 H new ATOM 581 N GLN A 37 -7.629 -20.738 -1.970 1.00 22.31 N ATOM 582 CA GLN A 37 -7.340 -21.027 -0.570 1.00 42.41 C ATOM 583 C GLN A 37 -8.625 -21.288 0.208 1.00 21.43 C ATOM 584 O GLN A 37 -8.673 -22.165 1.070 1.00 60.20 O ATOM 585 CB GLN A 37 -6.573 -19.865 0.064 1.00 11.21 C ATOM 586 CG GLN A 37 -5.084 -19.881 -0.240 1.00 3.14 C ATOM 587 CD GLN A 37 -4.281 -19.037 0.731 1.00 50.02 C ATOM 588 OE1 GLN A 37 -4.832 -18.443 1.658 1.00 32.42 O ATOM 589 NE2 GLN A 37 -2.971 -18.979 0.522 1.00 21.21 N ATOM 0 H GLN A 37 -7.495 -19.762 -2.236 1.00 22.31 H new ATOM 0 HA GLN A 37 -6.724 -21.925 -0.530 1.00 42.41 H new ATOM 0 HB2 GLN A 37 -6.997 -18.925 -0.289 1.00 11.21 H new ATOM 0 HB3 GLN A 37 -6.715 -19.893 1.144 1.00 11.21 H new ATOM 0 HG2 GLN A 37 -4.722 -20.908 -0.208 1.00 3.14 H new ATOM 0 HG3 GLN A 37 -4.920 -19.516 -1.254 1.00 3.14 H new ATOM 0 HE21 GLN A 37 -2.556 -19.487 -0.259 1.00 21.21 H new ATOM 0 HE22 GLN A 37 -2.380 -18.426 1.142 1.00 21.21 H new ATOM 598 N GLY A 38 -9.666 -20.521 -0.101 1.00 44.14 N ATOM 599 CA GLY A 38 -10.937 -20.685 0.579 1.00 70.22 C ATOM 600 C GLY A 38 -11.940 -21.465 -0.248 1.00 32.02 C ATOM 601 O GLY A 38 -12.562 -22.406 0.245 1.00 71.54 O ATOM 0 H GLY A 38 -9.651 -19.789 -0.811 1.00 44.14 H new ATOM 0 HA2 GLY A 38 -10.775 -21.198 1.527 1.00 70.22 H new ATOM 0 HA3 GLY A 38 -11.349 -19.704 0.814 1.00 70.22 H new ATOM 605 N ARG A 39 -12.100 -21.072 -1.507 1.00 64.14 N ATOM 606 CA ARG A 39 -13.037 -21.739 -2.403 1.00 62.10 C ATOM 607 C ARG A 39 -12.436 -21.901 -3.796 1.00 61.22 C ATOM 608 O ARG A 39 -11.544 -21.149 -4.191 1.00 15.10 O ATOM 609 CB ARG A 39 -14.344 -20.949 -2.489 1.00 1.34 C ATOM 610 CG ARG A 39 -14.178 -19.465 -2.203 1.00 33.11 C ATOM 611 CD ARG A 39 -15.113 -18.625 -3.059 1.00 34.22 C ATOM 612 NE ARG A 39 -15.017 -17.203 -2.741 1.00 71.00 N ATOM 613 CZ ARG A 39 -15.767 -16.269 -3.315 1.00 72.23 C ATOM 614 NH1 ARG A 39 -16.664 -16.606 -4.232 1.00 15.24 N ATOM 615 NH2 ARG A 39 -15.621 -14.996 -2.973 1.00 0.42 N ATOM 0 H ARG A 39 -11.593 -20.295 -1.930 1.00 64.14 H new ATOM 0 HA ARG A 39 -13.245 -22.729 -1.998 1.00 62.10 H new ATOM 0 HB2 ARG A 39 -14.769 -21.073 -3.485 1.00 1.34 H new ATOM 0 HB3 ARG A 39 -15.060 -21.369 -1.782 1.00 1.34 H new ATOM 0 HG2 ARG A 39 -14.376 -19.272 -1.149 1.00 33.11 H new ATOM 0 HG3 ARG A 39 -13.146 -19.170 -2.392 1.00 33.11 H new ATOM 0 HD2 ARG A 39 -14.876 -18.778 -4.112 1.00 34.22 H new ATOM 0 HD3 ARG A 39 -16.139 -18.961 -2.911 1.00 34.22 H new ATOM 0 HE ARG A 39 -14.337 -16.911 -2.040 1.00 71.00 H new ATOM 0 HH11 ARG A 39 -16.779 -17.584 -4.498 1.00 15.24 H new ATOM 0 HH12 ARG A 39 -17.239 -15.887 -4.671 1.00 15.24 H new ATOM 0 HH21 ARG A 39 -14.932 -14.733 -2.268 1.00 0.42 H new ATOM 0 HH22 ARG A 39 -16.198 -14.280 -3.415 1.00 0.42 H new ATOM 629 N CYS A 40 -12.929 -22.888 -4.537 1.00 33.14 N ATOM 630 CA CYS A 40 -12.442 -23.151 -5.885 1.00 45.41 C ATOM 631 C CYS A 40 -13.190 -22.302 -6.909 1.00 61.11 C ATOM 632 O CYS A 40 -14.401 -22.442 -7.082 1.00 1.30 O ATOM 633 CB CYS A 40 -12.595 -24.634 -6.226 1.00 33.22 C ATOM 634 SG CYS A 40 -11.050 -25.591 -6.098 1.00 11.51 S ATOM 0 H CYS A 40 -13.667 -23.520 -4.225 1.00 33.14 H new ATOM 0 HA CYS A 40 -11.386 -22.885 -5.921 1.00 45.41 H new ATOM 0 HB2 CYS A 40 -13.338 -25.074 -5.561 1.00 33.22 H new ATOM 0 HB3 CYS A 40 -12.982 -24.724 -7.241 1.00 33.22 H new ATOM 639 N LYS A 41 -12.460 -21.422 -7.586 1.00 53.12 N ATOM 640 CA LYS A 41 -13.053 -20.551 -8.595 1.00 24.14 C ATOM 641 C LYS A 41 -13.854 -21.360 -9.609 1.00 72.23 C ATOM 642 O LYS A 41 -13.388 -22.367 -10.144 1.00 14.32 O ATOM 643 CB LYS A 41 -11.962 -19.751 -9.311 1.00 73.23 C ATOM 644 CG LYS A 41 -12.430 -18.394 -9.806 1.00 40.44 C ATOM 645 CD LYS A 41 -12.712 -17.446 -8.653 1.00 4.15 C ATOM 646 CE LYS A 41 -11.486 -16.616 -8.301 1.00 31.42 C ATOM 647 NZ LYS A 41 -11.847 -15.213 -7.955 1.00 65.44 N ATOM 0 H LYS A 41 -11.457 -21.293 -7.455 1.00 53.12 H new ATOM 0 HA LYS A 41 -13.730 -19.861 -8.092 1.00 24.14 H new ATOM 0 HB2 LYS A 41 -11.121 -19.611 -8.632 1.00 73.23 H new ATOM 0 HB3 LYS A 41 -11.595 -20.331 -10.158 1.00 73.23 H new ATOM 0 HG2 LYS A 41 -11.670 -17.961 -10.456 1.00 40.44 H new ATOM 0 HG3 LYS A 41 -13.331 -18.516 -10.407 1.00 40.44 H new ATOM 0 HD2 LYS A 41 -13.537 -16.784 -8.918 1.00 4.15 H new ATOM 0 HD3 LYS A 41 -13.029 -18.017 -7.780 1.00 4.15 H new ATOM 0 HE2 LYS A 41 -10.966 -17.075 -7.460 1.00 31.42 H new ATOM 0 HE3 LYS A 41 -10.794 -16.616 -9.143 1.00 31.42 H new ATOM 0 HZ1 LYS A 41 -10.985 -14.680 -7.721 1.00 65.44 H new ATOM 0 HZ2 LYS A 41 -12.321 -14.766 -8.766 1.00 65.44 H new ATOM 0 HZ3 LYS A 41 -12.488 -15.211 -7.136 1.00 65.44 H new ATOM 661 N PRO A 42 -15.088 -20.911 -9.883 1.00 71.33 N ATOM 662 CA PRO A 42 -15.979 -21.578 -10.837 1.00 73.22 C ATOM 663 C PRO A 42 -15.500 -21.432 -12.277 1.00 73.45 C ATOM 664 O PRO A 42 -15.471 -22.403 -13.034 1.00 30.31 O ATOM 665 CB PRO A 42 -17.314 -20.854 -10.642 1.00 22.25 C ATOM 666 CG PRO A 42 -16.942 -19.510 -10.117 1.00 33.32 C ATOM 667 CD PRO A 42 -15.708 -19.718 -9.283 1.00 40.14 C ATOM 0 HA PRO A 42 -16.032 -22.653 -10.662 1.00 73.22 H new ATOM 0 HB2 PRO A 42 -17.862 -20.775 -11.581 1.00 22.25 H new ATOM 0 HB3 PRO A 42 -17.956 -21.389 -9.942 1.00 22.25 H new ATOM 0 HG2 PRO A 42 -16.749 -18.812 -10.932 1.00 33.32 H new ATOM 0 HG3 PRO A 42 -17.750 -19.087 -9.520 1.00 33.32 H new ATOM 0 HD2 PRO A 42 -15.044 -18.855 -9.326 1.00 40.14 H new ATOM 0 HD3 PRO A 42 -15.955 -19.878 -8.233 1.00 40.14 H new ATOM 675 N VAL A 43 -15.125 -20.213 -12.651 1.00 20.10 N ATOM 676 CA VAL A 43 -14.646 -19.941 -14.001 1.00 4.33 C ATOM 677 C VAL A 43 -13.834 -18.651 -14.046 1.00 24.23 C ATOM 678 O VAL A 43 -13.955 -17.798 -13.168 1.00 35.23 O ATOM 679 CB VAL A 43 -15.813 -19.835 -15.000 1.00 42.51 C ATOM 680 CG1 VAL A 43 -15.289 -19.638 -16.414 1.00 43.15 C ATOM 681 CG2 VAL A 43 -16.698 -21.069 -14.918 1.00 12.24 C ATOM 0 H VAL A 43 -15.144 -19.398 -12.038 1.00 20.10 H new ATOM 0 HA VAL A 43 -14.009 -20.778 -14.286 1.00 4.33 H new ATOM 0 HB VAL A 43 -16.416 -18.966 -14.737 1.00 42.51 H new ATOM 0 HG11 VAL A 43 -16.128 -19.565 -17.106 1.00 43.15 H new ATOM 0 HG12 VAL A 43 -14.700 -18.722 -16.460 1.00 43.15 H new ATOM 0 HG13 VAL A 43 -14.662 -20.486 -16.691 1.00 43.15 H new ATOM 0 HG21 VAL A 43 -17.518 -20.977 -15.631 1.00 12.24 H new ATOM 0 HG22 VAL A 43 -16.109 -21.955 -15.154 1.00 12.24 H new ATOM 0 HG23 VAL A 43 -17.102 -21.160 -13.910 1.00 12.24 H new ATOM 691 N ASN A 44 -13.005 -18.516 -15.076 1.00 4.03 N ATOM 692 CA ASN A 44 -12.171 -17.330 -15.236 1.00 15.33 C ATOM 693 C ASN A 44 -11.534 -17.296 -16.621 1.00 40.54 C ATOM 694 O ASN A 44 -11.717 -18.211 -17.425 1.00 15.32 O ATOM 695 CB ASN A 44 -11.083 -17.296 -14.161 1.00 34.45 C ATOM 696 CG ASN A 44 -11.137 -16.034 -13.322 1.00 54.23 C ATOM 697 OD1 ASN A 44 -12.168 -15.711 -12.732 1.00 32.13 O ATOM 698 ND2 ASN A 44 -10.024 -15.312 -13.267 1.00 62.33 N ATOM 0 H ASN A 44 -12.893 -19.213 -15.812 1.00 4.03 H new ATOM 0 HA ASN A 44 -12.808 -16.452 -15.126 1.00 15.33 H new ATOM 0 HB2 ASN A 44 -11.190 -18.165 -13.512 1.00 34.45 H new ATOM 0 HB3 ASN A 44 -10.105 -17.372 -14.636 1.00 34.45 H new ATOM 0 HD21 ASN A 44 -10.001 -14.452 -12.720 1.00 62.33 H new ATOM 0 HD22 ASN A 44 -9.192 -15.618 -13.772 1.00 62.33 H new ATOM 705 N THR A 45 -10.783 -16.233 -16.895 1.00 61.34 N ATOM 706 CA THR A 45 -10.118 -16.079 -18.183 1.00 53.32 C ATOM 707 C THR A 45 -8.802 -15.325 -18.035 1.00 65.15 C ATOM 708 O THR A 45 -8.788 -14.130 -17.740 1.00 54.14 O ATOM 709 CB THR A 45 -11.013 -15.333 -19.191 1.00 72.12 C ATOM 710 OG1 THR A 45 -12.337 -15.878 -19.168 1.00 60.50 O ATOM 711 CG2 THR A 45 -10.443 -15.433 -20.598 1.00 2.40 C ATOM 0 H THR A 45 -10.620 -15.466 -16.242 1.00 61.34 H new ATOM 0 HA THR A 45 -9.919 -17.083 -18.558 1.00 53.32 H new ATOM 0 HB THR A 45 -11.048 -14.282 -18.904 1.00 72.12 H new ATOM 0 HG1 THR A 45 -12.900 -15.397 -19.810 1.00 60.50 H new ATOM 0 HG21 THR A 45 -11.092 -14.899 -21.292 1.00 2.40 H new ATOM 0 HG22 THR A 45 -9.447 -14.991 -20.619 1.00 2.40 H new ATOM 0 HG23 THR A 45 -10.381 -16.481 -20.892 1.00 2.40 H new ATOM 719 N PHE A 46 -7.695 -16.031 -18.243 1.00 42.20 N ATOM 720 CA PHE A 46 -6.372 -15.428 -18.133 1.00 4.24 C ATOM 721 C PHE A 46 -6.063 -14.565 -19.353 1.00 74.41 C ATOM 722 O PHE A 46 -6.881 -14.447 -20.266 1.00 64.12 O ATOM 723 CB PHE A 46 -5.304 -16.513 -17.979 1.00 34.45 C ATOM 724 CG PHE A 46 -4.836 -16.697 -16.563 1.00 40.13 C ATOM 725 CD1 PHE A 46 -5.701 -16.491 -15.501 1.00 11.21 C ATOM 726 CD2 PHE A 46 -3.530 -17.075 -16.295 1.00 51.14 C ATOM 727 CE1 PHE A 46 -5.273 -16.659 -14.197 1.00 74.24 C ATOM 728 CE2 PHE A 46 -3.097 -17.245 -14.994 1.00 61.31 C ATOM 729 CZ PHE A 46 -3.969 -17.036 -13.944 1.00 11.12 C ATOM 0 H PHE A 46 -7.688 -17.021 -18.489 1.00 42.20 H new ATOM 0 HA PHE A 46 -6.364 -14.791 -17.248 1.00 4.24 H new ATOM 0 HB2 PHE A 46 -5.702 -17.458 -18.347 1.00 34.45 H new ATOM 0 HB3 PHE A 46 -4.449 -16.261 -18.606 1.00 34.45 H new ATOM 0 HD1 PHE A 46 -6.722 -16.196 -15.694 1.00 11.21 H new ATOM 0 HD2 PHE A 46 -2.843 -17.239 -17.112 1.00 51.14 H new ATOM 0 HE1 PHE A 46 -5.957 -16.496 -13.378 1.00 74.24 H new ATOM 0 HE2 PHE A 46 -2.077 -17.541 -14.798 1.00 61.31 H new ATOM 0 HZ PHE A 46 -3.632 -17.167 -12.926 1.00 11.12 H new ATOM 739 N VAL A 47 -4.878 -13.964 -19.361 1.00 51.30 N ATOM 740 CA VAL A 47 -4.460 -13.112 -20.468 1.00 74.23 C ATOM 741 C VAL A 47 -2.961 -13.228 -20.715 1.00 65.35 C ATOM 742 O VAL A 47 -2.168 -13.280 -19.775 1.00 25.43 O ATOM 743 CB VAL A 47 -4.813 -11.636 -20.205 1.00 75.25 C ATOM 744 CG1 VAL A 47 -4.558 -10.796 -21.448 1.00 31.42 C ATOM 745 CG2 VAL A 47 -6.260 -11.507 -19.753 1.00 31.30 C ATOM 0 H VAL A 47 -4.190 -14.051 -18.613 1.00 51.30 H new ATOM 0 HA VAL A 47 -4.998 -13.455 -21.352 1.00 74.23 H new ATOM 0 HB VAL A 47 -4.172 -11.264 -19.406 1.00 75.25 H new ATOM 0 HG11 VAL A 47 -4.813 -9.756 -21.243 1.00 31.42 H new ATOM 0 HG12 VAL A 47 -3.506 -10.864 -21.723 1.00 31.42 H new ATOM 0 HG13 VAL A 47 -5.172 -11.165 -22.269 1.00 31.42 H new ATOM 0 HG21 VAL A 47 -6.492 -10.458 -19.572 1.00 31.30 H new ATOM 0 HG22 VAL A 47 -6.920 -11.896 -20.529 1.00 31.30 H new ATOM 0 HG23 VAL A 47 -6.406 -12.075 -18.834 1.00 31.30 H new ATOM 755 N HIS A 48 -2.577 -13.268 -21.988 1.00 32.03 N ATOM 756 CA HIS A 48 -1.171 -13.377 -22.359 1.00 40.24 C ATOM 757 C HIS A 48 -0.700 -12.117 -23.080 1.00 55.00 C ATOM 758 O HIS A 48 0.327 -12.126 -23.757 1.00 51.30 O ATOM 759 CB HIS A 48 -0.950 -14.600 -23.250 1.00 31.15 C ATOM 760 CG HIS A 48 -0.847 -15.885 -22.487 1.00 34.11 C ATOM 761 ND1 HIS A 48 0.211 -16.184 -21.655 1.00 62.24 N ATOM 762 CD2 HIS A 48 -1.680 -16.951 -22.432 1.00 41.10 C ATOM 763 CE1 HIS A 48 0.026 -17.379 -21.123 1.00 63.25 C ATOM 764 NE2 HIS A 48 -1.114 -17.866 -21.578 1.00 54.22 N ATOM 0 H HIS A 48 -3.220 -13.227 -22.779 1.00 32.03 H new ATOM 0 HA HIS A 48 -0.588 -13.492 -21.445 1.00 40.24 H new ATOM 0 HB2 HIS A 48 -1.772 -14.674 -23.962 1.00 31.15 H new ATOM 0 HB3 HIS A 48 -0.038 -14.457 -23.830 1.00 31.15 H new ATOM 0 HD1 HIS A 48 1.012 -15.577 -21.478 1.00 62.24 H new ATOM 0 HD2 HIS A 48 -2.615 -17.061 -22.961 1.00 41.10 H new ATOM 0 HE1 HIS A 48 0.694 -17.874 -20.433 1.00 63.25 H new ATOM 772 N GLU A 49 -1.460 -11.036 -22.930 1.00 20.34 N ATOM 773 CA GLU A 49 -1.120 -9.770 -23.568 1.00 14.12 C ATOM 774 C GLU A 49 -0.703 -8.732 -22.530 1.00 31.22 C ATOM 775 O GLU A 49 -1.163 -8.740 -21.388 1.00 12.32 O ATOM 776 CB GLU A 49 -2.308 -9.247 -24.379 1.00 32.44 C ATOM 777 CG GLU A 49 -2.711 -7.827 -24.021 1.00 53.31 C ATOM 778 CD GLU A 49 -3.373 -7.733 -22.660 1.00 32.10 C ATOM 779 OE1 GLU A 49 -4.402 -8.410 -22.452 1.00 3.10 O ATOM 780 OE2 GLU A 49 -2.862 -6.983 -21.803 1.00 3.43 O ATOM 0 H GLU A 49 -2.314 -11.012 -22.373 1.00 20.34 H new ATOM 0 HA GLU A 49 -0.279 -9.945 -24.239 1.00 14.12 H new ATOM 0 HB2 GLU A 49 -2.060 -9.289 -25.440 1.00 32.44 H new ATOM 0 HB3 GLU A 49 -3.161 -9.908 -24.225 1.00 32.44 H new ATOM 0 HG2 GLU A 49 -1.828 -7.188 -24.036 1.00 53.31 H new ATOM 0 HG3 GLU A 49 -3.394 -7.445 -24.780 1.00 53.31 H new ATOM 787 N PRO A 50 0.190 -7.817 -22.934 1.00 63.25 N ATOM 788 CA PRO A 50 0.690 -6.756 -22.055 1.00 51.25 C ATOM 789 C PRO A 50 -0.379 -5.715 -21.738 1.00 64.20 C ATOM 790 O PRO A 50 -1.228 -5.407 -22.575 1.00 42.13 O ATOM 791 CB PRO A 50 1.824 -6.127 -22.868 1.00 42.33 C ATOM 792 CG PRO A 50 1.478 -6.416 -24.288 1.00 43.22 C ATOM 793 CD PRO A 50 0.781 -7.748 -24.282 1.00 21.15 C ATOM 0 HA PRO A 50 1.006 -7.144 -21.086 1.00 51.25 H new ATOM 0 HB2 PRO A 50 1.892 -5.054 -22.688 1.00 42.33 H new ATOM 0 HB3 PRO A 50 2.789 -6.557 -22.600 1.00 42.33 H new ATOM 0 HG2 PRO A 50 0.832 -5.640 -24.698 1.00 43.22 H new ATOM 0 HG3 PRO A 50 2.373 -6.447 -24.909 1.00 43.22 H new ATOM 0 HD2 PRO A 50 0.018 -7.806 -25.059 1.00 21.15 H new ATOM 0 HD3 PRO A 50 1.478 -8.567 -24.458 1.00 21.15 H new ATOM 801 N LEU A 51 -0.331 -5.176 -20.525 1.00 21.43 N ATOM 802 CA LEU A 51 -1.295 -4.169 -20.097 1.00 12.14 C ATOM 803 C LEU A 51 -1.518 -3.129 -21.190 1.00 2.21 C ATOM 804 O LEU A 51 -2.602 -3.041 -21.767 1.00 22.33 O ATOM 805 CB LEU A 51 -0.813 -3.485 -18.816 1.00 50.43 C ATOM 806 CG LEU A 51 -1.878 -2.738 -18.012 1.00 70.12 C ATOM 807 CD1 LEU A 51 -2.728 -3.716 -17.215 1.00 42.42 C ATOM 808 CD2 LEU A 51 -1.231 -1.716 -17.089 1.00 44.14 C ATOM 0 H LEU A 51 0.365 -5.420 -19.820 1.00 21.43 H new ATOM 0 HA LEU A 51 -2.243 -4.670 -19.899 1.00 12.14 H new ATOM 0 HB2 LEU A 51 -0.364 -4.241 -18.172 1.00 50.43 H new ATOM 0 HB3 LEU A 51 -0.024 -2.780 -19.079 1.00 50.43 H new ATOM 0 HG LEU A 51 -2.527 -2.208 -18.709 1.00 70.12 H new ATOM 0 HD11 LEU A 51 -3.480 -3.167 -16.649 1.00 42.42 H new ATOM 0 HD12 LEU A 51 -3.221 -4.409 -17.897 1.00 42.42 H new ATOM 0 HD13 LEU A 51 -2.092 -4.274 -16.527 1.00 42.42 H new ATOM 0 HD21 LEU A 51 -2.004 -1.194 -16.525 1.00 44.14 H new ATOM 0 HD22 LEU A 51 -0.558 -2.224 -16.398 1.00 44.14 H new ATOM 0 HD23 LEU A 51 -0.666 -0.996 -17.682 1.00 44.14 H new ATOM 820 N VAL A 52 -0.483 -2.343 -21.472 1.00 33.15 N ATOM 821 CA VAL A 52 -0.564 -1.311 -22.498 1.00 73.02 C ATOM 822 C VAL A 52 -1.503 -1.729 -23.625 1.00 3.03 C ATOM 823 O VAL A 52 -2.306 -0.930 -24.106 1.00 15.05 O ATOM 824 CB VAL A 52 0.823 -0.998 -23.090 1.00 12.10 C ATOM 825 CG1 VAL A 52 1.314 -2.158 -23.942 1.00 41.15 C ATOM 826 CG2 VAL A 52 0.778 0.289 -23.901 1.00 33.45 C ATOM 0 H VAL A 52 0.421 -2.402 -21.004 1.00 33.15 H new ATOM 0 HA VAL A 52 -0.956 -0.415 -22.016 1.00 73.02 H new ATOM 0 HB VAL A 52 1.526 -0.859 -22.269 1.00 12.10 H new ATOM 0 HG11 VAL A 52 2.295 -1.919 -24.352 1.00 41.15 H new ATOM 0 HG12 VAL A 52 1.386 -3.056 -23.328 1.00 41.15 H new ATOM 0 HG13 VAL A 52 0.613 -2.332 -24.758 1.00 41.15 H new ATOM 0 HG21 VAL A 52 1.766 0.495 -24.312 1.00 33.45 H new ATOM 0 HG22 VAL A 52 0.062 0.181 -24.715 1.00 33.45 H new ATOM 0 HG23 VAL A 52 0.474 1.114 -23.257 1.00 33.45 H new ATOM 836 N ASP A 53 -1.395 -2.986 -24.041 1.00 14.03 N ATOM 837 CA ASP A 53 -2.236 -3.512 -25.110 1.00 43.34 C ATOM 838 C ASP A 53 -3.710 -3.248 -24.822 1.00 74.50 C ATOM 839 O ASP A 53 -4.354 -2.451 -25.504 1.00 13.34 O ATOM 840 CB ASP A 53 -1.997 -5.012 -25.284 1.00 73.44 C ATOM 841 CG ASP A 53 -1.823 -5.406 -26.738 1.00 31.31 C ATOM 842 OD1 ASP A 53 -1.973 -4.528 -27.612 1.00 41.43 O ATOM 843 OD2 ASP A 53 -1.538 -6.593 -27.001 1.00 62.53 O ATOM 0 H ASP A 53 -0.734 -3.659 -23.654 1.00 14.03 H new ATOM 0 HA ASP A 53 -1.969 -3.000 -26.035 1.00 43.34 H new ATOM 0 HB2 ASP A 53 -1.109 -5.303 -24.723 1.00 73.44 H new ATOM 0 HB3 ASP A 53 -2.837 -5.562 -24.859 1.00 73.44 H new ATOM 848 N VAL A 54 -4.240 -3.925 -23.808 1.00 20.31 N ATOM 849 CA VAL A 54 -5.639 -3.765 -23.429 1.00 43.21 C ATOM 850 C VAL A 54 -5.952 -2.313 -23.087 1.00 12.40 C ATOM 851 O VAL A 54 -7.030 -1.810 -23.402 1.00 54.11 O ATOM 852 CB VAL A 54 -5.999 -4.654 -22.224 1.00 75.03 C ATOM 853 CG1 VAL A 54 -7.204 -4.090 -21.486 1.00 71.31 C ATOM 854 CG2 VAL A 54 -6.262 -6.083 -22.677 1.00 4.45 C ATOM 0 H VAL A 54 -3.721 -4.590 -23.234 1.00 20.31 H new ATOM 0 HA VAL A 54 -6.237 -4.070 -24.288 1.00 43.21 H new ATOM 0 HB VAL A 54 -5.154 -4.664 -21.536 1.00 75.03 H new ATOM 0 HG11 VAL A 54 -7.444 -4.731 -20.638 1.00 71.31 H new ATOM 0 HG12 VAL A 54 -6.975 -3.086 -21.129 1.00 71.31 H new ATOM 0 HG13 VAL A 54 -8.058 -4.048 -22.162 1.00 71.31 H new ATOM 0 HG21 VAL A 54 -6.515 -6.698 -21.813 1.00 4.45 H new ATOM 0 HG22 VAL A 54 -7.091 -6.094 -23.385 1.00 4.45 H new ATOM 0 HG23 VAL A 54 -5.369 -6.483 -23.158 1.00 4.45 H new ATOM 864 N GLN A 55 -5.002 -1.644 -22.441 1.00 33.32 N ATOM 865 CA GLN A 55 -5.178 -0.249 -22.056 1.00 1.03 C ATOM 866 C GLN A 55 -5.585 0.600 -23.256 1.00 30.23 C ATOM 867 O GLN A 55 -6.448 1.470 -23.148 1.00 42.13 O ATOM 868 CB GLN A 55 -3.888 0.299 -21.443 1.00 30.04 C ATOM 869 CG GLN A 55 -3.474 -0.409 -20.163 1.00 30.32 C ATOM 870 CD GLN A 55 -2.270 0.234 -19.503 1.00 15.22 C ATOM 871 OE1 GLN A 55 -2.321 1.392 -19.088 1.00 1.51 O ATOM 872 NE2 GLN A 55 -1.179 -0.515 -19.402 1.00 30.32 N ATOM 0 H GLN A 55 -4.103 -2.045 -22.174 1.00 33.32 H new ATOM 0 HA GLN A 55 -5.974 -0.201 -21.313 1.00 1.03 H new ATOM 0 HB2 GLN A 55 -3.083 0.212 -22.173 1.00 30.04 H new ATOM 0 HB3 GLN A 55 -4.017 1.361 -21.235 1.00 30.04 H new ATOM 0 HG2 GLN A 55 -4.311 -0.407 -19.464 1.00 30.32 H new ATOM 0 HG3 GLN A 55 -3.248 -1.452 -20.386 1.00 30.32 H new ATOM 0 HE21 GLN A 55 -1.181 -1.470 -19.760 1.00 30.32 H new ATOM 0 HE22 GLN A 55 -0.338 -0.135 -18.967 1.00 30.32 H new ATOM 881 N ASN A 56 -4.957 0.340 -24.398 1.00 54.21 N ATOM 882 CA ASN A 56 -5.254 1.081 -25.619 1.00 10.44 C ATOM 883 C ASN A 56 -6.723 0.933 -26.001 1.00 55.54 C ATOM 884 O ASN A 56 -7.327 1.851 -26.558 1.00 3.12 O ATOM 885 CB ASN A 56 -4.365 0.594 -26.765 1.00 33.02 C ATOM 886 CG ASN A 56 -3.079 1.389 -26.877 1.00 62.01 C ATOM 887 OD1 ASN A 56 -2.936 2.238 -27.757 1.00 2.54 O ATOM 888 ND2 ASN A 56 -2.135 1.116 -25.984 1.00 63.31 N ATOM 0 H ASN A 56 -4.240 -0.378 -24.504 1.00 54.21 H new ATOM 0 HA ASN A 56 -5.050 2.136 -25.433 1.00 10.44 H new ATOM 0 HB2 ASN A 56 -4.126 -0.459 -26.614 1.00 33.02 H new ATOM 0 HB3 ASN A 56 -4.915 0.664 -27.703 1.00 33.02 H new ATOM 0 HD21 ASN A 56 -1.248 1.618 -26.010 1.00 63.31 H new ATOM 0 HD22 ASN A 56 -2.297 0.404 -25.272 1.00 63.31 H new ATOM 895 N VAL A 57 -7.294 -0.228 -25.699 1.00 32.33 N ATOM 896 CA VAL A 57 -8.693 -0.497 -26.009 1.00 13.40 C ATOM 897 C VAL A 57 -9.607 0.543 -25.370 1.00 30.12 C ATOM 898 O VAL A 57 -10.561 1.013 -25.991 1.00 3.22 O ATOM 899 CB VAL A 57 -9.115 -1.899 -25.531 1.00 14.53 C ATOM 900 CG1 VAL A 57 -10.511 -2.237 -26.033 1.00 2.51 C ATOM 901 CG2 VAL A 57 -8.108 -2.943 -25.988 1.00 1.32 C ATOM 0 H VAL A 57 -6.809 -0.999 -25.239 1.00 32.33 H new ATOM 0 HA VAL A 57 -8.792 -0.447 -27.093 1.00 13.40 H new ATOM 0 HB VAL A 57 -9.137 -1.901 -24.441 1.00 14.53 H new ATOM 0 HG11 VAL A 57 -10.792 -3.231 -25.685 1.00 2.51 H new ATOM 0 HG12 VAL A 57 -11.222 -1.505 -25.651 1.00 2.51 H new ATOM 0 HG13 VAL A 57 -10.520 -2.218 -27.123 1.00 2.51 H new ATOM 0 HG21 VAL A 57 -8.422 -3.928 -25.641 1.00 1.32 H new ATOM 0 HG22 VAL A 57 -8.052 -2.942 -27.077 1.00 1.32 H new ATOM 0 HG23 VAL A 57 -7.127 -2.708 -25.574 1.00 1.32 H new ATOM 911 N CYS A 58 -9.309 0.899 -24.125 1.00 33.55 N ATOM 912 CA CYS A 58 -10.103 1.883 -23.399 1.00 52.03 C ATOM 913 C CYS A 58 -10.140 3.211 -24.149 1.00 41.53 C ATOM 914 O CYS A 58 -11.019 4.043 -23.919 1.00 64.44 O ATOM 915 CB CYS A 58 -9.534 2.093 -21.995 1.00 12.33 C ATOM 916 SG CYS A 58 -10.800 2.354 -20.711 1.00 32.41 S ATOM 0 H CYS A 58 -8.523 0.520 -23.597 1.00 33.55 H new ATOM 0 HA CYS A 58 -11.121 1.503 -23.317 1.00 52.03 H new ATOM 0 HB2 CYS A 58 -8.932 1.226 -21.725 1.00 12.33 H new ATOM 0 HB3 CYS A 58 -8.865 2.953 -22.011 1.00 12.33 H new ATOM 921 N PHE A 59 -9.179 3.404 -25.047 1.00 55.24 N ATOM 922 CA PHE A 59 -9.101 4.631 -25.831 1.00 42.32 C ATOM 923 C PHE A 59 -9.454 4.367 -27.292 1.00 12.31 C ATOM 924 O PHE A 59 -9.508 5.290 -28.104 1.00 43.23 O ATOM 925 CB PHE A 59 -7.698 5.234 -25.735 1.00 63.01 C ATOM 926 CG PHE A 59 -7.140 5.236 -24.340 1.00 73.54 C ATOM 927 CD1 PHE A 59 -7.772 5.941 -23.329 1.00 22.35 C ATOM 928 CD2 PHE A 59 -5.985 4.532 -24.041 1.00 31.50 C ATOM 929 CE1 PHE A 59 -7.260 5.944 -22.045 1.00 14.44 C ATOM 930 CE2 PHE A 59 -5.469 4.531 -22.759 1.00 12.24 C ATOM 931 CZ PHE A 59 -6.108 5.238 -21.759 1.00 35.21 C ATOM 0 H PHE A 59 -8.444 2.727 -25.250 1.00 55.24 H new ATOM 0 HA PHE A 59 -9.823 5.339 -25.424 1.00 42.32 H new ATOM 0 HB2 PHE A 59 -7.026 4.675 -26.386 1.00 63.01 H new ATOM 0 HB3 PHE A 59 -7.725 6.258 -26.108 1.00 63.01 H new ATOM 0 HD1 PHE A 59 -8.674 6.494 -23.546 1.00 22.35 H new ATOM 0 HD2 PHE A 59 -5.482 3.977 -24.819 1.00 31.50 H new ATOM 0 HE1 PHE A 59 -7.761 6.499 -21.265 1.00 14.44 H new ATOM 0 HE2 PHE A 59 -4.568 3.978 -22.539 1.00 12.24 H new ATOM 0 HZ PHE A 59 -5.708 5.239 -20.756 1.00 35.21 H new ATOM 941 N GLN A 60 -9.694 3.101 -27.617 1.00 24.10 N ATOM 942 CA GLN A 60 -10.040 2.715 -28.980 1.00 13.03 C ATOM 943 C GLN A 60 -11.553 2.629 -29.153 1.00 31.32 C ATOM 944 O GLN A 60 -12.154 3.442 -29.854 1.00 62.44 O ATOM 945 CB GLN A 60 -9.397 1.372 -29.331 1.00 53.32 C ATOM 946 CG GLN A 60 -7.895 1.455 -29.546 1.00 24.15 C ATOM 947 CD GLN A 60 -7.474 0.978 -30.922 1.00 33.12 C ATOM 948 OE1 GLN A 60 -7.529 1.730 -31.895 1.00 61.35 O ATOM 949 NE2 GLN A 60 -7.051 -0.278 -31.010 1.00 14.31 N ATOM 0 H GLN A 60 -9.655 2.325 -26.956 1.00 24.10 H new ATOM 0 HA GLN A 60 -9.658 3.480 -29.656 1.00 13.03 H new ATOM 0 HB2 GLN A 60 -9.602 0.660 -28.532 1.00 53.32 H new ATOM 0 HB3 GLN A 60 -9.864 0.980 -30.235 1.00 53.32 H new ATOM 0 HG2 GLN A 60 -7.569 2.486 -29.408 1.00 24.15 H new ATOM 0 HG3 GLN A 60 -7.390 0.856 -28.788 1.00 24.15 H new ATOM 0 HE21 GLN A 60 -7.022 -0.866 -30.177 1.00 14.31 H new ATOM 0 HE22 GLN A 60 -6.755 -0.655 -31.911 1.00 14.31 H new ATOM 958 N GLU A 61 -12.162 1.638 -28.509 1.00 20.22 N ATOM 959 CA GLU A 61 -13.605 1.445 -28.594 1.00 1.44 C ATOM 960 C GLU A 61 -14.243 1.498 -27.209 1.00 12.55 C ATOM 961 O GLU A 61 -13.553 1.643 -26.199 1.00 71.11 O ATOM 962 CB GLU A 61 -13.925 0.108 -29.264 1.00 21.42 C ATOM 963 CG GLU A 61 -15.132 0.162 -30.185 1.00 32.43 C ATOM 964 CD GLU A 61 -14.960 -0.696 -31.423 1.00 61.03 C ATOM 965 OE1 GLU A 61 -14.034 -0.416 -32.214 1.00 33.22 O ATOM 966 OE2 GLU A 61 -15.750 -1.646 -31.602 1.00 71.15 O ATOM 0 H GLU A 61 -11.679 0.957 -27.923 1.00 20.22 H new ATOM 0 HA GLU A 61 -14.019 2.253 -29.197 1.00 1.44 H new ATOM 0 HB2 GLU A 61 -13.057 -0.219 -29.836 1.00 21.42 H new ATOM 0 HB3 GLU A 61 -14.100 -0.642 -28.493 1.00 21.42 H new ATOM 0 HG2 GLU A 61 -16.016 -0.168 -29.639 1.00 32.43 H new ATOM 0 HG3 GLU A 61 -15.309 1.195 -30.485 1.00 32.43 H new ATOM 973 N LYS A 62 -15.566 1.381 -27.168 1.00 51.24 N ATOM 974 CA LYS A 62 -16.300 1.415 -25.909 1.00 22.22 C ATOM 975 C LYS A 62 -17.491 0.463 -25.947 1.00 61.34 C ATOM 976 O LYS A 62 -17.893 -0.001 -27.014 1.00 73.24 O ATOM 977 CB LYS A 62 -16.780 2.837 -25.612 1.00 42.33 C ATOM 978 CG LYS A 62 -15.659 3.793 -25.242 1.00 23.34 C ATOM 979 CD LYS A 62 -16.040 5.236 -25.525 1.00 3.14 C ATOM 980 CE LYS A 62 -15.472 5.712 -26.853 1.00 54.21 C ATOM 981 NZ LYS A 62 -15.190 7.174 -26.844 1.00 14.42 N ATOM 0 H LYS A 62 -16.152 1.262 -27.994 1.00 51.24 H new ATOM 0 HA LYS A 62 -15.625 1.093 -25.116 1.00 22.22 H new ATOM 0 HB2 LYS A 62 -17.303 3.225 -26.486 1.00 42.33 H new ATOM 0 HB3 LYS A 62 -17.502 2.805 -24.796 1.00 42.33 H new ATOM 0 HG2 LYS A 62 -15.418 3.680 -24.185 1.00 23.34 H new ATOM 0 HG3 LYS A 62 -14.761 3.536 -25.803 1.00 23.34 H new ATOM 0 HD2 LYS A 62 -17.126 5.331 -25.537 1.00 3.14 H new ATOM 0 HD3 LYS A 62 -15.673 5.875 -24.721 1.00 3.14 H new ATOM 0 HE2 LYS A 62 -14.554 5.167 -27.072 1.00 54.21 H new ATOM 0 HE3 LYS A 62 -16.177 5.483 -27.652 1.00 54.21 H new ATOM 0 HZ1 LYS A 62 -14.804 7.459 -27.767 1.00 14.42 H new ATOM 0 HZ2 LYS A 62 -16.070 7.696 -26.661 1.00 14.42 H new ATOM 0 HZ3 LYS A 62 -14.498 7.389 -26.098 1.00 14.42 H new ATOM 995 N VAL A 63 -18.052 0.176 -24.777 1.00 12.40 N ATOM 996 CA VAL A 63 -19.199 -0.718 -24.678 1.00 32.25 C ATOM 997 C VAL A 63 -19.976 -0.474 -23.389 1.00 32.53 C ATOM 998 O VAL A 63 -19.565 0.321 -22.543 1.00 21.31 O ATOM 999 CB VAL A 63 -18.765 -2.195 -24.731 1.00 73.10 C ATOM 1000 CG1 VAL A 63 -17.720 -2.406 -25.816 1.00 0.23 C ATOM 1001 CG2 VAL A 63 -18.238 -2.644 -23.377 1.00 32.54 C ATOM 0 H VAL A 63 -17.731 0.550 -23.884 1.00 12.40 H new ATOM 0 HA VAL A 63 -19.842 -0.505 -25.532 1.00 32.25 H new ATOM 0 HB VAL A 63 -19.636 -2.803 -24.976 1.00 73.10 H new ATOM 0 HG11 VAL A 63 -17.426 -3.455 -25.838 1.00 0.23 H new ATOM 0 HG12 VAL A 63 -18.138 -2.126 -26.783 1.00 0.23 H new ATOM 0 HG13 VAL A 63 -16.847 -1.789 -25.605 1.00 0.23 H new ATOM 0 HG21 VAL A 63 -17.936 -3.690 -23.433 1.00 32.54 H new ATOM 0 HG22 VAL A 63 -17.379 -2.033 -23.100 1.00 32.54 H new ATOM 0 HG23 VAL A 63 -19.021 -2.532 -22.627 1.00 32.54 H new ATOM 1011 N THR A 64 -21.103 -1.165 -23.244 1.00 12.31 N ATOM 1012 CA THR A 64 -21.939 -1.023 -22.058 1.00 71.35 C ATOM 1013 C THR A 64 -21.352 -1.788 -20.878 1.00 34.24 C ATOM 1014 O THR A 64 -20.496 -2.656 -21.050 1.00 43.34 O ATOM 1015 CB THR A 64 -23.372 -1.524 -22.319 1.00 14.02 C ATOM 1016 OG1 THR A 64 -23.704 -1.362 -23.702 1.00 52.13 O ATOM 1017 CG2 THR A 64 -24.374 -0.767 -21.460 1.00 32.43 C ATOM 0 H THR A 64 -21.458 -1.828 -23.933 1.00 12.31 H new ATOM 0 HA THR A 64 -21.972 0.040 -21.818 1.00 71.35 H new ATOM 0 HB THR A 64 -23.417 -2.581 -22.057 1.00 14.02 H new ATOM 0 HG1 THR A 64 -24.616 -1.685 -23.859 1.00 52.13 H new ATOM 0 HG21 THR A 64 -25.379 -1.138 -21.661 1.00 32.43 H new ATOM 0 HG22 THR A 64 -24.136 -0.916 -20.407 1.00 32.43 H new ATOM 0 HG23 THR A 64 -24.325 0.296 -21.696 1.00 32.43 H new ATOM 1025 N CYS A 65 -21.819 -1.462 -19.677 1.00 31.21 N ATOM 1026 CA CYS A 65 -21.341 -2.119 -18.466 1.00 50.41 C ATOM 1027 C CYS A 65 -22.495 -2.767 -17.707 1.00 71.43 C ATOM 1028 O CYS A 65 -23.661 -2.439 -17.928 1.00 70.44 O ATOM 1029 CB CYS A 65 -20.625 -1.112 -17.564 1.00 0.32 C ATOM 1030 SG CYS A 65 -18.809 -1.259 -17.579 1.00 73.15 S ATOM 0 H CYS A 65 -22.528 -0.747 -19.517 1.00 31.21 H new ATOM 0 HA CYS A 65 -20.638 -2.899 -18.759 1.00 50.41 H new ATOM 0 HB2 CYS A 65 -20.900 -0.104 -17.874 1.00 0.32 H new ATOM 0 HB3 CYS A 65 -20.981 -1.239 -16.542 1.00 0.32 H new ATOM 1035 N LYS A 66 -22.162 -3.690 -16.811 1.00 60.11 N ATOM 1036 CA LYS A 66 -23.168 -4.385 -16.017 1.00 75.14 C ATOM 1037 C LYS A 66 -24.267 -3.426 -15.571 1.00 54.24 C ATOM 1038 O LYS A 66 -25.454 -3.734 -15.676 1.00 64.42 O ATOM 1039 CB LYS A 66 -22.521 -5.040 -14.795 1.00 11.41 C ATOM 1040 CG LYS A 66 -21.966 -6.426 -15.070 1.00 22.31 C ATOM 1041 CD LYS A 66 -21.838 -7.239 -13.793 1.00 34.44 C ATOM 1042 CE LYS A 66 -20.435 -7.804 -13.629 1.00 15.43 C ATOM 1043 NZ LYS A 66 -20.123 -8.107 -12.205 1.00 5.03 N ATOM 0 H LYS A 66 -21.202 -3.974 -16.617 1.00 60.11 H new ATOM 0 HA LYS A 66 -23.616 -5.158 -16.641 1.00 75.14 H new ATOM 0 HB2 LYS A 66 -21.716 -4.400 -14.434 1.00 11.41 H new ATOM 0 HB3 LYS A 66 -23.259 -5.105 -13.995 1.00 11.41 H new ATOM 0 HG2 LYS A 66 -22.618 -6.948 -15.771 1.00 22.31 H new ATOM 0 HG3 LYS A 66 -20.990 -6.340 -15.547 1.00 22.31 H new ATOM 0 HD2 LYS A 66 -22.081 -6.612 -12.935 1.00 34.44 H new ATOM 0 HD3 LYS A 66 -22.561 -8.055 -13.806 1.00 34.44 H new ATOM 0 HE2 LYS A 66 -20.337 -8.712 -14.224 1.00 15.43 H new ATOM 0 HE3 LYS A 66 -19.708 -7.090 -14.016 1.00 15.43 H new ATOM 0 HZ1 LYS A 66 -19.159 -8.490 -12.135 1.00 5.03 H new ATOM 0 HZ2 LYS A 66 -20.191 -7.236 -11.642 1.00 5.03 H new ATOM 0 HZ3 LYS A 66 -20.801 -8.808 -11.843 1.00 5.03 H new ATOM 1057 N ASN A 67 -23.864 -2.261 -15.075 1.00 0.30 N ATOM 1058 CA ASN A 67 -24.815 -1.256 -14.614 1.00 52.10 C ATOM 1059 C ASN A 67 -25.562 -0.634 -15.790 1.00 33.10 C ATOM 1060 O ASN A 67 -26.752 -0.335 -15.695 1.00 62.11 O ATOM 1061 CB ASN A 67 -24.092 -0.166 -13.820 1.00 55.44 C ATOM 1062 CG ASN A 67 -22.668 0.047 -14.295 1.00 23.54 C ATOM 1063 OD1 ASN A 67 -21.719 -0.445 -13.684 1.00 3.04 O ATOM 1064 ND2 ASN A 67 -22.512 0.782 -15.389 1.00 60.03 N ATOM 0 H ASN A 67 -22.885 -1.989 -14.982 1.00 0.30 H new ATOM 0 HA ASN A 67 -25.540 -1.748 -13.966 1.00 52.10 H new ATOM 0 HB2 ASN A 67 -24.645 0.770 -13.906 1.00 55.44 H new ATOM 0 HB3 ASN A 67 -24.083 -0.435 -12.764 1.00 55.44 H new ATOM 0 HD21 ASN A 67 -21.577 0.959 -15.756 1.00 60.03 H new ATOM 0 HD22 ASN A 67 -23.327 1.170 -15.863 1.00 60.03 H new ATOM 1071 N GLY A 68 -24.855 -0.443 -16.899 1.00 44.23 N ATOM 1072 CA GLY A 68 -25.467 0.142 -18.078 1.00 62.22 C ATOM 1073 C GLY A 68 -24.770 1.412 -18.524 1.00 63.32 C ATOM 1074 O GLY A 68 -25.374 2.261 -19.178 1.00 1.40 O ATOM 0 H GLY A 68 -23.869 -0.683 -17.002 1.00 44.23 H new ATOM 0 HA2 GLY A 68 -25.448 -0.584 -18.891 1.00 62.22 H new ATOM 0 HA3 GLY A 68 -26.514 0.360 -17.869 1.00 62.22 H new ATOM 1078 N GLN A 69 -23.496 1.542 -18.169 1.00 24.42 N ATOM 1079 CA GLN A 69 -22.717 2.719 -18.535 1.00 70.23 C ATOM 1080 C GLN A 69 -21.588 2.349 -19.491 1.00 60.34 C ATOM 1081 O GLN A 69 -21.298 1.171 -19.699 1.00 42.32 O ATOM 1082 CB GLN A 69 -22.144 3.387 -17.284 1.00 64.33 C ATOM 1083 CG GLN A 69 -23.193 4.073 -16.426 1.00 15.05 C ATOM 1084 CD GLN A 69 -23.944 5.156 -17.176 1.00 32.35 C ATOM 1085 OE1 GLN A 69 -23.476 6.289 -17.285 1.00 53.42 O ATOM 1086 NE2 GLN A 69 -25.116 4.811 -17.697 1.00 42.31 N ATOM 0 H GLN A 69 -22.981 0.847 -17.628 1.00 24.42 H new ATOM 0 HA GLN A 69 -23.381 3.420 -19.040 1.00 70.23 H new ATOM 0 HB2 GLN A 69 -21.631 2.636 -16.684 1.00 64.33 H new ATOM 0 HB3 GLN A 69 -21.396 4.121 -17.584 1.00 64.33 H new ATOM 0 HG2 GLN A 69 -23.902 3.330 -16.063 1.00 15.05 H new ATOM 0 HG3 GLN A 69 -22.712 4.509 -15.551 1.00 15.05 H new ATOM 0 HE21 GLN A 69 -25.465 3.860 -17.582 1.00 42.31 H new ATOM 0 HE22 GLN A 69 -25.667 5.498 -18.212 1.00 42.31 H new ATOM 1095 N GLY A 70 -20.954 3.363 -20.072 1.00 1.22 N ATOM 1096 CA GLY A 70 -19.864 3.124 -21.000 1.00 30.54 C ATOM 1097 C GLY A 70 -18.526 2.990 -20.300 1.00 60.41 C ATOM 1098 O GLY A 70 -17.510 3.478 -20.792 1.00 4.12 O ATOM 0 H GLY A 70 -21.176 4.346 -19.916 1.00 1.22 H new ATOM 0 HA2 GLY A 70 -20.066 2.216 -21.567 1.00 30.54 H new ATOM 0 HA3 GLY A 70 -19.815 3.943 -21.717 1.00 30.54 H new ATOM 1102 N ASN A 71 -18.526 2.327 -19.148 1.00 61.10 N ATOM 1103 CA ASN A 71 -17.303 2.132 -18.378 1.00 44.42 C ATOM 1104 C ASN A 71 -16.540 0.906 -18.870 1.00 44.21 C ATOM 1105 O ASN A 71 -15.403 0.664 -18.463 1.00 32.34 O ATOM 1106 CB ASN A 71 -17.630 1.981 -16.891 1.00 63.23 C ATOM 1107 CG ASN A 71 -16.393 1.729 -16.050 1.00 52.30 C ATOM 1108 OD1 ASN A 71 -15.864 2.642 -15.416 1.00 40.30 O ATOM 1109 ND2 ASN A 71 -15.927 0.486 -16.041 1.00 44.12 N ATOM 0 H ASN A 71 -19.359 1.916 -18.727 1.00 61.10 H new ATOM 0 HA ASN A 71 -16.672 3.010 -18.517 1.00 44.42 H new ATOM 0 HB2 ASN A 71 -18.128 2.884 -16.538 1.00 63.23 H new ATOM 0 HB3 ASN A 71 -18.331 1.157 -16.758 1.00 63.23 H new ATOM 0 HD21 ASN A 71 -15.098 0.256 -15.493 1.00 44.12 H new ATOM 0 HD22 ASN A 71 -16.398 -0.239 -16.582 1.00 44.12 H new ATOM 1116 N CYS A 72 -17.172 0.136 -19.749 1.00 42.13 N ATOM 1117 CA CYS A 72 -16.554 -1.065 -20.298 1.00 31.01 C ATOM 1118 C CYS A 72 -16.076 -0.826 -21.727 1.00 60.43 C ATOM 1119 O CYS A 72 -16.552 0.082 -22.409 1.00 22.12 O ATOM 1120 CB CYS A 72 -17.543 -2.232 -20.267 1.00 52.15 C ATOM 1121 SG CYS A 72 -18.070 -2.716 -18.592 1.00 60.53 S ATOM 0 H CYS A 72 -18.113 0.322 -20.097 1.00 42.13 H new ATOM 0 HA CYS A 72 -15.690 -1.313 -19.682 1.00 31.01 H new ATOM 0 HB2 CYS A 72 -18.424 -1.963 -20.850 1.00 52.15 H new ATOM 0 HB3 CYS A 72 -17.088 -3.093 -20.756 1.00 52.15 H new ATOM 1126 N TYR A 73 -15.133 -1.648 -22.174 1.00 42.04 N ATOM 1127 CA TYR A 73 -14.588 -1.526 -23.521 1.00 53.45 C ATOM 1128 C TYR A 73 -14.047 -2.864 -24.014 1.00 22.21 C ATOM 1129 O TYR A 73 -13.466 -3.633 -23.247 1.00 51.13 O ATOM 1130 CB TYR A 73 -13.480 -0.472 -23.552 1.00 40.14 C ATOM 1131 CG TYR A 73 -13.686 0.653 -22.563 1.00 22.31 C ATOM 1132 CD1 TYR A 73 -13.439 0.467 -21.208 1.00 73.43 C ATOM 1133 CD2 TYR A 73 -14.126 1.902 -22.983 1.00 60.11 C ATOM 1134 CE1 TYR A 73 -13.627 1.491 -20.301 1.00 1.11 C ATOM 1135 CE2 TYR A 73 -14.315 2.933 -22.083 1.00 22.31 C ATOM 1136 CZ TYR A 73 -14.064 2.722 -20.743 1.00 15.21 C ATOM 1137 OH TYR A 73 -14.251 3.746 -19.842 1.00 71.23 O ATOM 0 H TYR A 73 -14.730 -2.406 -21.623 1.00 42.04 H new ATOM 0 HA TYR A 73 -15.395 -1.215 -24.185 1.00 53.45 H new ATOM 0 HB2 TYR A 73 -12.525 -0.955 -23.346 1.00 40.14 H new ATOM 0 HB3 TYR A 73 -13.416 -0.054 -24.557 1.00 40.14 H new ATOM 0 HD1 TYR A 73 -13.094 -0.495 -20.859 1.00 73.43 H new ATOM 0 HD2 TYR A 73 -14.324 2.070 -24.031 1.00 60.11 H new ATOM 0 HE1 TYR A 73 -13.433 1.329 -19.251 1.00 1.11 H new ATOM 0 HE2 TYR A 73 -14.657 3.898 -22.426 1.00 22.31 H new ATOM 0 HH TYR A 73 -13.414 3.916 -19.362 1.00 71.23 H new ATOM 1147 N LYS A 74 -14.241 -3.136 -25.300 1.00 21.31 N ATOM 1148 CA LYS A 74 -13.772 -4.380 -25.898 1.00 65.35 C ATOM 1149 C LYS A 74 -12.581 -4.126 -26.818 1.00 32.41 C ATOM 1150 O LYS A 74 -12.509 -3.094 -27.485 1.00 72.51 O ATOM 1151 CB LYS A 74 -14.901 -5.051 -26.683 1.00 15.01 C ATOM 1152 CG LYS A 74 -15.115 -4.461 -28.066 1.00 70.22 C ATOM 1153 CD LYS A 74 -16.510 -4.759 -28.590 1.00 63.43 C ATOM 1154 CE LYS A 74 -16.877 -3.845 -29.749 1.00 11.22 C ATOM 1155 NZ LYS A 74 -17.620 -2.639 -29.289 1.00 75.05 N ATOM 0 H LYS A 74 -14.720 -2.511 -25.948 1.00 21.31 H new ATOM 0 HA LYS A 74 -13.454 -5.043 -25.093 1.00 65.35 H new ATOM 0 HB2 LYS A 74 -14.682 -6.114 -26.781 1.00 15.01 H new ATOM 0 HB3 LYS A 74 -15.827 -4.967 -26.114 1.00 15.01 H new ATOM 0 HG2 LYS A 74 -14.962 -3.382 -28.030 1.00 70.22 H new ATOM 0 HG3 LYS A 74 -14.373 -4.866 -28.754 1.00 70.22 H new ATOM 0 HD2 LYS A 74 -16.564 -5.798 -28.914 1.00 63.43 H new ATOM 0 HD3 LYS A 74 -17.236 -4.638 -27.786 1.00 63.43 H new ATOM 0 HE2 LYS A 74 -15.970 -3.537 -30.270 1.00 11.22 H new ATOM 0 HE3 LYS A 74 -17.486 -4.395 -30.467 1.00 11.22 H new ATOM 0 HZ1 LYS A 74 -17.882 -2.058 -30.111 1.00 75.05 H new ATOM 0 HZ2 LYS A 74 -18.481 -2.933 -28.784 1.00 75.05 H new ATOM 0 HZ3 LYS A 74 -17.017 -2.083 -28.650 1.00 75.05 H new ATOM 1169 N SER A 75 -11.650 -5.075 -26.849 1.00 13.30 N ATOM 1170 CA SER A 75 -10.462 -4.952 -27.685 1.00 70.32 C ATOM 1171 C SER A 75 -10.843 -4.631 -29.127 1.00 52.30 C ATOM 1172 O SER A 75 -11.982 -4.841 -29.541 1.00 34.10 O ATOM 1173 CB SER A 75 -9.644 -6.244 -27.638 1.00 71.30 C ATOM 1174 OG SER A 75 -9.888 -7.044 -28.782 1.00 30.41 O ATOM 0 H SER A 75 -11.696 -5.937 -26.305 1.00 13.30 H new ATOM 0 HA SER A 75 -9.858 -4.133 -27.296 1.00 70.32 H new ATOM 0 HB2 SER A 75 -8.582 -6.004 -27.578 1.00 71.30 H new ATOM 0 HB3 SER A 75 -9.895 -6.805 -26.738 1.00 71.30 H new ATOM 0 HG SER A 75 -9.152 -7.680 -28.900 1.00 30.41 H new ATOM 1180 N ASN A 76 -9.880 -4.119 -29.887 1.00 13.01 N ATOM 1181 CA ASN A 76 -10.114 -3.767 -31.283 1.00 1.12 C ATOM 1182 C ASN A 76 -10.125 -5.013 -32.163 1.00 53.34 C ATOM 1183 O ASN A 76 -11.154 -5.371 -32.736 1.00 33.30 O ATOM 1184 CB ASN A 76 -9.040 -2.793 -31.771 1.00 42.04 C ATOM 1185 CG ASN A 76 -9.555 -1.856 -32.846 1.00 53.53 C ATOM 1186 OD1 ASN A 76 -9.653 -2.228 -34.016 1.00 4.23 O ATOM 1187 ND2 ASN A 76 -9.888 -0.631 -32.454 1.00 31.44 N ATOM 0 H ASN A 76 -8.931 -3.939 -29.560 1.00 13.01 H new ATOM 0 HA ASN A 76 -11.090 -3.286 -31.353 1.00 1.12 H new ATOM 0 HB2 ASN A 76 -8.674 -2.208 -30.928 1.00 42.04 H new ATOM 0 HB3 ASN A 76 -8.192 -3.357 -32.160 1.00 42.04 H new ATOM 0 HD21 ASN A 76 -10.241 0.043 -33.133 1.00 31.44 H new ATOM 0 HD22 ASN A 76 -9.791 -0.365 -31.474 1.00 31.44 H new ATOM 1194 N SER A 77 -8.974 -5.668 -32.266 1.00 62.54 N ATOM 1195 CA SER A 77 -8.850 -6.873 -33.080 1.00 1.45 C ATOM 1196 C SER A 77 -8.999 -8.125 -32.222 1.00 22.35 C ATOM 1197 O SER A 77 -9.991 -8.847 -32.324 1.00 3.10 O ATOM 1198 CB SER A 77 -7.500 -6.891 -33.799 1.00 2.10 C ATOM 1199 OG SER A 77 -6.443 -6.583 -32.907 1.00 45.43 O ATOM 0 H SER A 77 -8.114 -5.386 -31.797 1.00 62.54 H new ATOM 0 HA SER A 77 -9.649 -6.865 -33.822 1.00 1.45 H new ATOM 0 HB2 SER A 77 -7.333 -7.873 -34.241 1.00 2.10 H new ATOM 0 HB3 SER A 77 -7.511 -6.171 -34.617 1.00 2.10 H new ATOM 0 HG SER A 77 -5.591 -6.603 -33.390 1.00 45.43 H new ATOM 1205 N SER A 78 -8.005 -8.377 -31.375 1.00 51.23 N ATOM 1206 CA SER A 78 -8.022 -9.544 -30.501 1.00 53.04 C ATOM 1207 C SER A 78 -6.945 -9.434 -29.427 1.00 11.24 C ATOM 1208 O SER A 78 -6.174 -8.475 -29.402 1.00 21.25 O ATOM 1209 CB SER A 78 -7.816 -10.821 -31.317 1.00 63.54 C ATOM 1210 OG SER A 78 -6.440 -11.047 -31.573 1.00 51.50 O ATOM 0 H SER A 78 -7.178 -7.788 -31.276 1.00 51.23 H new ATOM 0 HA SER A 78 -8.995 -9.587 -30.012 1.00 53.04 H new ATOM 0 HB2 SER A 78 -8.233 -11.672 -30.778 1.00 63.54 H new ATOM 0 HB3 SER A 78 -8.357 -10.745 -32.260 1.00 63.54 H new ATOM 0 HG SER A 78 -6.335 -11.870 -32.095 1.00 51.50 H new ATOM 1216 N MET A 79 -6.899 -10.423 -28.540 1.00 14.20 N ATOM 1217 CA MET A 79 -5.916 -10.438 -27.463 1.00 34.31 C ATOM 1218 C MET A 79 -5.704 -11.856 -26.941 1.00 12.21 C ATOM 1219 O MET A 79 -6.652 -12.525 -26.529 1.00 55.21 O ATOM 1220 CB MET A 79 -6.365 -9.524 -26.321 1.00 44.44 C ATOM 1221 CG MET A 79 -5.373 -8.416 -26.005 1.00 25.33 C ATOM 1222 SD MET A 79 -5.533 -7.002 -27.112 1.00 61.51 S ATOM 1223 CE MET A 79 -5.576 -5.653 -25.935 1.00 34.43 C ATOM 0 H MET A 79 -7.531 -11.224 -28.546 1.00 14.20 H new ATOM 0 HA MET A 79 -4.971 -10.071 -27.862 1.00 34.31 H new ATOM 0 HB2 MET A 79 -7.325 -9.078 -26.579 1.00 44.44 H new ATOM 0 HB3 MET A 79 -6.523 -10.125 -25.426 1.00 44.44 H new ATOM 0 HG2 MET A 79 -5.519 -8.085 -24.977 1.00 25.33 H new ATOM 0 HG3 MET A 79 -4.359 -8.811 -26.072 1.00 25.33 H new ATOM 0 HE1 MET A 79 -5.232 -4.738 -26.417 1.00 34.43 H new ATOM 0 HE2 MET A 79 -6.597 -5.514 -25.578 1.00 34.43 H new ATOM 0 HE3 MET A 79 -4.926 -5.885 -25.092 1.00 34.43 H new ATOM 1233 N HIS A 80 -4.454 -12.308 -26.961 1.00 74.31 N ATOM 1234 CA HIS A 80 -4.118 -13.647 -26.489 1.00 53.12 C ATOM 1235 C HIS A 80 -4.592 -13.852 -25.054 1.00 12.25 C ATOM 1236 O HIS A 80 -4.304 -13.040 -24.173 1.00 74.32 O ATOM 1237 CB HIS A 80 -2.610 -13.878 -26.578 1.00 64.15 C ATOM 1238 CG HIS A 80 -2.000 -13.372 -27.849 1.00 51.44 C ATOM 1239 ND1 HIS A 80 -0.687 -12.960 -27.943 1.00 14.13 N ATOM 1240 CD2 HIS A 80 -2.531 -13.213 -29.084 1.00 53.02 C ATOM 1241 CE1 HIS A 80 -0.438 -12.568 -29.180 1.00 20.45 C ATOM 1242 NE2 HIS A 80 -1.540 -12.712 -29.893 1.00 35.45 N ATOM 0 H HIS A 80 -3.658 -11.767 -27.299 1.00 74.31 H new ATOM 0 HA HIS A 80 -4.627 -14.369 -27.128 1.00 53.12 H new ATOM 0 HB2 HIS A 80 -2.125 -13.389 -25.733 1.00 64.15 H new ATOM 0 HB3 HIS A 80 -2.408 -14.945 -26.488 1.00 64.15 H new ATOM 0 HD2 HIS A 80 -3.545 -13.438 -29.379 1.00 53.02 H new ATOM 0 HE1 HIS A 80 0.507 -12.193 -29.546 1.00 20.45 H new ATOM 0 HE2 HIS A 80 -1.639 -12.488 -30.883 1.00 35.45 H new ATOM 1250 N ILE A 81 -5.320 -14.940 -24.825 1.00 50.24 N ATOM 1251 CA ILE A 81 -5.833 -15.250 -23.497 1.00 30.41 C ATOM 1252 C ILE A 81 -5.863 -16.756 -23.258 1.00 34.15 C ATOM 1253 O ILE A 81 -5.583 -17.546 -24.160 1.00 2.21 O ATOM 1254 CB ILE A 81 -7.249 -14.681 -23.293 1.00 54.10 C ATOM 1255 CG1 ILE A 81 -8.239 -15.366 -24.237 1.00 71.15 C ATOM 1256 CG2 ILE A 81 -7.252 -13.176 -23.515 1.00 51.23 C ATOM 1257 CD1 ILE A 81 -8.249 -14.780 -25.632 1.00 1.53 C ATOM 0 H ILE A 81 -5.568 -15.621 -25.542 1.00 50.24 H new ATOM 0 HA ILE A 81 -5.157 -14.784 -22.781 1.00 30.41 H new ATOM 0 HB ILE A 81 -7.559 -14.878 -22.267 1.00 54.10 H new ATOM 0 HG12 ILE A 81 -7.995 -16.427 -24.299 1.00 71.15 H new ATOM 0 HG13 ILE A 81 -9.241 -15.294 -23.814 1.00 71.15 H new ATOM 0 HG21 ILE A 81 -8.260 -12.788 -23.367 1.00 51.23 H new ATOM 0 HG22 ILE A 81 -6.573 -12.702 -22.806 1.00 51.23 H new ATOM 0 HG23 ILE A 81 -6.925 -12.958 -24.531 1.00 51.23 H new ATOM 0 HD11 ILE A 81 -8.974 -15.315 -26.246 1.00 1.53 H new ATOM 0 HD12 ILE A 81 -8.523 -13.726 -25.582 1.00 1.53 H new ATOM 0 HD13 ILE A 81 -7.257 -14.877 -26.074 1.00 1.53 H new ATOM 1269 N THR A 82 -6.208 -17.149 -22.035 1.00 3.31 N ATOM 1270 CA THR A 82 -6.276 -18.560 -21.676 1.00 41.41 C ATOM 1271 C THR A 82 -7.556 -18.871 -20.909 1.00 1.41 C ATOM 1272 O THR A 82 -7.666 -18.571 -19.720 1.00 34.52 O ATOM 1273 CB THR A 82 -5.064 -18.982 -20.823 1.00 54.54 C ATOM 1274 OG1 THR A 82 -3.863 -18.882 -21.596 1.00 70.22 O ATOM 1275 CG2 THR A 82 -5.230 -20.406 -20.315 1.00 52.31 C ATOM 0 H THR A 82 -6.445 -16.509 -21.277 1.00 3.31 H new ATOM 0 HA THR A 82 -6.268 -19.124 -22.609 1.00 41.41 H new ATOM 0 HB THR A 82 -5.000 -18.313 -19.965 1.00 54.54 H new ATOM 0 HG1 THR A 82 -3.136 -18.549 -21.029 1.00 70.22 H new ATOM 0 HG21 THR A 82 -4.362 -20.682 -19.716 1.00 52.31 H new ATOM 0 HG22 THR A 82 -6.130 -20.471 -19.703 1.00 52.31 H new ATOM 0 HG23 THR A 82 -5.317 -21.087 -21.162 1.00 52.31 H new ATOM 1283 N ASP A 83 -8.520 -19.473 -21.596 1.00 12.20 N ATOM 1284 CA ASP A 83 -9.793 -19.826 -20.978 1.00 70.21 C ATOM 1285 C ASP A 83 -9.583 -20.792 -19.816 1.00 73.00 C ATOM 1286 O ASP A 83 -8.932 -21.826 -19.964 1.00 62.43 O ATOM 1287 CB ASP A 83 -10.731 -20.450 -22.013 1.00 1.21 C ATOM 1288 CG ASP A 83 -12.181 -20.072 -21.782 1.00 21.43 C ATOM 1289 OD1 ASP A 83 -12.518 -18.882 -21.952 1.00 32.40 O ATOM 1290 OD2 ASP A 83 -12.978 -20.967 -21.430 1.00 34.13 O ATOM 0 H ASP A 83 -8.445 -19.727 -22.581 1.00 12.20 H new ATOM 0 HA ASP A 83 -10.247 -18.914 -20.591 1.00 70.21 H new ATOM 0 HB2 ASP A 83 -10.430 -20.131 -23.011 1.00 1.21 H new ATOM 0 HB3 ASP A 83 -10.632 -21.535 -21.982 1.00 1.21 H new ATOM 1295 N CYS A 84 -10.139 -20.447 -18.659 1.00 64.21 N ATOM 1296 CA CYS A 84 -10.012 -21.282 -17.471 1.00 2.35 C ATOM 1297 C CYS A 84 -11.371 -21.504 -16.814 1.00 54.12 C ATOM 1298 O CYS A 84 -11.887 -20.628 -16.120 1.00 15.11 O ATOM 1299 CB CYS A 84 -9.049 -20.638 -16.470 1.00 74.23 C ATOM 1300 SG CYS A 84 -7.459 -20.124 -17.194 1.00 41.13 S ATOM 0 H CYS A 84 -10.682 -19.595 -18.519 1.00 64.21 H new ATOM 0 HA CYS A 84 -9.614 -22.249 -17.778 1.00 2.35 H new ATOM 0 HB2 CYS A 84 -9.532 -19.768 -16.026 1.00 74.23 H new ATOM 0 HB3 CYS A 84 -8.857 -21.343 -15.662 1.00 74.23 H new ATOM 1305 N ARG A 85 -11.946 -22.681 -17.039 1.00 65.22 N ATOM 1306 CA ARG A 85 -13.245 -23.018 -16.471 1.00 72.40 C ATOM 1307 C ARG A 85 -13.190 -24.360 -15.746 1.00 0.21 C ATOM 1308 O ARG A 85 -12.609 -25.324 -16.245 1.00 63.32 O ATOM 1309 CB ARG A 85 -14.309 -23.063 -17.569 1.00 74.50 C ATOM 1310 CG ARG A 85 -15.642 -23.627 -17.103 1.00 1.00 C ATOM 1311 CD ARG A 85 -16.266 -24.526 -18.159 1.00 14.14 C ATOM 1312 NE ARG A 85 -17.303 -25.389 -17.599 1.00 25.54 N ATOM 1313 CZ ARG A 85 -18.557 -24.999 -17.402 1.00 20.53 C ATOM 1314 NH1 ARG A 85 -18.929 -23.767 -17.718 1.00 41.20 N ATOM 1315 NH2 ARG A 85 -19.443 -25.843 -16.888 1.00 25.53 N ATOM 0 H ARG A 85 -11.532 -23.417 -17.611 1.00 65.22 H new ATOM 0 HA ARG A 85 -13.509 -22.245 -15.749 1.00 72.40 H new ATOM 0 HB2 ARG A 85 -14.465 -22.055 -17.953 1.00 74.50 H new ATOM 0 HB3 ARG A 85 -13.939 -23.666 -18.398 1.00 74.50 H new ATOM 0 HG2 ARG A 85 -15.497 -24.192 -16.182 1.00 1.00 H new ATOM 0 HG3 ARG A 85 -16.324 -22.809 -16.871 1.00 1.00 H new ATOM 0 HD2 ARG A 85 -16.694 -23.912 -18.951 1.00 14.14 H new ATOM 0 HD3 ARG A 85 -15.491 -25.141 -18.616 1.00 14.14 H new ATOM 0 HE ARG A 85 -17.050 -26.344 -17.345 1.00 25.54 H new ATOM 0 HH11 ARG A 85 -18.251 -23.115 -18.114 1.00 41.20 H new ATOM 0 HH12 ARG A 85 -19.893 -23.470 -17.566 1.00 41.20 H new ATOM 0 HH21 ARG A 85 -19.161 -26.792 -16.644 1.00 25.53 H new ATOM 0 HH22 ARG A 85 -20.406 -25.542 -16.737 1.00 25.53 H new ATOM 1329 N LEU A 86 -13.798 -24.414 -14.566 1.00 3.11 N ATOM 1330 CA LEU A 86 -13.818 -25.637 -13.771 1.00 3.11 C ATOM 1331 C LEU A 86 -14.315 -26.817 -14.600 1.00 22.03 C ATOM 1332 O LEU A 86 -14.893 -26.637 -15.672 1.00 71.51 O ATOM 1333 CB LEU A 86 -14.706 -25.454 -12.539 1.00 53.44 C ATOM 1334 CG LEU A 86 -13.983 -25.127 -11.232 1.00 60.23 C ATOM 1335 CD1 LEU A 86 -14.985 -24.868 -10.118 1.00 40.11 C ATOM 1336 CD2 LEU A 86 -13.037 -26.257 -10.850 1.00 15.53 C ATOM 0 H LEU A 86 -14.284 -23.625 -14.139 1.00 3.11 H new ATOM 0 HA LEU A 86 -12.799 -25.848 -13.448 1.00 3.11 H new ATOM 0 HB2 LEU A 86 -15.419 -24.656 -12.746 1.00 53.44 H new ATOM 0 HB3 LEU A 86 -15.283 -26.367 -12.393 1.00 53.44 H new ATOM 0 HG LEU A 86 -13.395 -24.221 -11.380 1.00 60.23 H new ATOM 0 HD11 LEU A 86 -14.452 -24.637 -9.196 1.00 40.11 H new ATOM 0 HD12 LEU A 86 -15.622 -24.026 -10.390 1.00 40.11 H new ATOM 0 HD13 LEU A 86 -15.601 -25.755 -9.969 1.00 40.11 H new ATOM 0 HD21 LEU A 86 -12.531 -26.008 -9.917 1.00 15.53 H new ATOM 0 HD22 LEU A 86 -13.605 -27.178 -10.720 1.00 15.53 H new ATOM 0 HD23 LEU A 86 -12.298 -26.395 -11.639 1.00 15.53 H new ATOM 1348 N THR A 87 -14.088 -28.026 -14.095 1.00 2.33 N ATOM 1349 CA THR A 87 -14.513 -29.236 -14.787 1.00 51.41 C ATOM 1350 C THR A 87 -15.080 -30.258 -13.809 1.00 74.12 C ATOM 1351 O THR A 87 -15.102 -30.029 -12.601 1.00 31.33 O ATOM 1352 CB THR A 87 -13.348 -29.877 -15.565 1.00 13.14 C ATOM 1353 OG1 THR A 87 -12.740 -30.905 -14.776 1.00 31.54 O ATOM 1354 CG2 THR A 87 -12.306 -28.833 -15.936 1.00 51.15 C ATOM 0 H THR A 87 -13.612 -28.193 -13.209 1.00 2.33 H new ATOM 0 HA THR A 87 -15.291 -28.941 -15.491 1.00 51.41 H new ATOM 0 HB THR A 87 -13.747 -30.311 -16.482 1.00 13.14 H new ATOM 0 HG1 THR A 87 -12.028 -30.517 -14.226 1.00 31.54 H new ATOM 0 HG21 THR A 87 -11.493 -29.309 -16.485 1.00 51.15 H new ATOM 0 HG22 THR A 87 -12.765 -28.067 -16.560 1.00 51.15 H new ATOM 0 HG23 THR A 87 -11.912 -28.374 -15.029 1.00 51.15 H new ATOM 1362 N ASN A 88 -15.538 -31.387 -14.340 1.00 73.22 N ATOM 1363 CA ASN A 88 -16.106 -32.446 -13.513 1.00 41.30 C ATOM 1364 C ASN A 88 -15.094 -32.929 -12.479 1.00 32.54 C ATOM 1365 O ASN A 88 -13.902 -33.038 -12.764 1.00 75.52 O ATOM 1366 CB ASN A 88 -16.558 -33.617 -14.387 1.00 34.31 C ATOM 1367 CG ASN A 88 -16.709 -34.903 -13.597 1.00 63.34 C ATOM 1368 OD1 ASN A 88 -15.848 -35.782 -13.652 1.00 33.14 O ATOM 1369 ND2 ASN A 88 -17.806 -35.019 -12.859 1.00 10.15 N ATOM 0 H ASN A 88 -15.527 -31.592 -15.339 1.00 73.22 H new ATOM 0 HA ASN A 88 -16.970 -32.039 -12.988 1.00 41.30 H new ATOM 0 HB2 ASN A 88 -17.509 -33.369 -14.858 1.00 34.31 H new ATOM 0 HB3 ASN A 88 -15.835 -33.769 -15.189 1.00 34.31 H new ATOM 0 HD21 ASN A 88 -17.962 -35.862 -12.307 1.00 10.15 H new ATOM 0 HD22 ASN A 88 -18.493 -34.265 -12.844 1.00 10.15 H new ATOM 1376 N GLY A 89 -15.579 -33.219 -11.275 1.00 21.03 N ATOM 1377 CA GLY A 89 -14.704 -33.688 -10.216 1.00 72.21 C ATOM 1378 C GLY A 89 -13.515 -32.774 -9.999 1.00 1.13 C ATOM 1379 O GLY A 89 -12.455 -33.217 -9.556 1.00 72.32 O ATOM 0 H GLY A 89 -16.562 -33.138 -11.014 1.00 21.03 H new ATOM 0 HA2 GLY A 89 -15.271 -33.767 -9.289 1.00 72.21 H new ATOM 0 HA3 GLY A 89 -14.349 -34.689 -10.459 1.00 72.21 H new ATOM 1383 N SER A 90 -13.689 -31.494 -10.312 1.00 73.01 N ATOM 1384 CA SER A 90 -12.620 -30.516 -10.154 1.00 4.34 C ATOM 1385 C SER A 90 -13.015 -29.436 -9.151 1.00 21.35 C ATOM 1386 O SER A 90 -12.418 -28.360 -9.112 1.00 61.34 O ATOM 1387 CB SER A 90 -12.281 -29.876 -11.502 1.00 12.15 C ATOM 1388 OG SER A 90 -11.905 -30.858 -12.452 1.00 13.41 O ATOM 0 H SER A 90 -14.561 -31.110 -10.677 1.00 73.01 H new ATOM 0 HA SER A 90 -11.740 -31.035 -9.775 1.00 4.34 H new ATOM 0 HB2 SER A 90 -13.143 -29.320 -11.871 1.00 12.15 H new ATOM 0 HB3 SER A 90 -11.470 -29.159 -11.374 1.00 12.15 H new ATOM 0 HG SER A 90 -12.707 -31.216 -12.887 1.00 13.41 H new ATOM 1394 N ARG A 91 -14.026 -29.732 -8.340 1.00 25.42 N ATOM 1395 CA ARG A 91 -14.502 -28.788 -7.337 1.00 14.21 C ATOM 1396 C ARG A 91 -13.606 -28.806 -6.103 1.00 25.44 C ATOM 1397 O ARG A 91 -12.757 -29.686 -5.953 1.00 4.53 O ATOM 1398 CB ARG A 91 -15.942 -29.117 -6.939 1.00 74.31 C ATOM 1399 CG ARG A 91 -16.973 -28.189 -7.560 1.00 74.24 C ATOM 1400 CD ARG A 91 -16.648 -26.730 -7.283 1.00 52.20 C ATOM 1401 NE ARG A 91 -17.701 -26.071 -6.515 1.00 10.13 N ATOM 1402 CZ ARG A 91 -17.825 -26.177 -5.196 1.00 61.14 C ATOM 1403 NH1 ARG A 91 -16.966 -26.912 -4.504 1.00 3.35 N ATOM 1404 NH2 ARG A 91 -18.810 -25.547 -4.568 1.00 64.25 N ATOM 0 H ARG A 91 -14.531 -30.618 -8.358 1.00 25.42 H new ATOM 0 HA ARG A 91 -14.471 -27.789 -7.772 1.00 14.21 H new ATOM 0 HB2 ARG A 91 -16.166 -30.143 -7.232 1.00 74.31 H new ATOM 0 HB3 ARG A 91 -16.030 -29.069 -5.854 1.00 74.31 H new ATOM 0 HG2 ARG A 91 -17.013 -28.356 -8.636 1.00 74.24 H new ATOM 0 HG3 ARG A 91 -17.961 -28.424 -7.164 1.00 74.24 H new ATOM 0 HD2 ARG A 91 -15.707 -26.666 -6.737 1.00 52.20 H new ATOM 0 HD3 ARG A 91 -16.505 -26.205 -8.227 1.00 52.20 H new ATOM 0 HE ARG A 91 -18.378 -25.498 -7.018 1.00 10.13 H new ATOM 0 HH11 ARG A 91 -16.208 -27.398 -4.984 1.00 3.35 H new ATOM 0 HH12 ARG A 91 -17.063 -26.992 -3.492 1.00 3.35 H new ATOM 0 HH21 ARG A 91 -19.473 -24.981 -5.098 1.00 64.25 H new ATOM 0 HH22 ARG A 91 -18.904 -25.629 -3.556 1.00 64.25 H new ATOM 1418 N TYR A 92 -13.799 -27.831 -5.222 1.00 54.22 N ATOM 1419 CA TYR A 92 -13.006 -27.733 -4.003 1.00 34.25 C ATOM 1420 C TYR A 92 -13.018 -29.054 -3.238 1.00 43.52 C ATOM 1421 O TYR A 92 -14.044 -29.723 -3.119 1.00 12.44 O ATOM 1422 CB TYR A 92 -13.540 -26.610 -3.111 1.00 63.50 C ATOM 1423 CG TYR A 92 -12.584 -26.204 -2.013 1.00 4.44 C ATOM 1424 CD1 TYR A 92 -12.350 -27.036 -0.925 1.00 10.13 C ATOM 1425 CD2 TYR A 92 -11.915 -24.987 -2.062 1.00 3.10 C ATOM 1426 CE1 TYR A 92 -11.478 -26.668 0.082 1.00 61.23 C ATOM 1427 CE2 TYR A 92 -11.040 -24.612 -1.061 1.00 2.30 C ATOM 1428 CZ TYR A 92 -10.825 -25.455 0.009 1.00 61.42 C ATOM 1429 OH TYR A 92 -9.955 -25.085 1.009 1.00 52.44 O ATOM 0 H TYR A 92 -14.499 -27.097 -5.330 1.00 54.22 H new ATOM 0 HA TYR A 92 -11.978 -27.506 -4.286 1.00 34.25 H new ATOM 0 HB2 TYR A 92 -13.761 -25.740 -3.729 1.00 63.50 H new ATOM 0 HB3 TYR A 92 -14.481 -26.929 -2.663 1.00 63.50 H new ATOM 0 HD1 TYR A 92 -12.858 -27.987 -0.865 1.00 10.13 H new ATOM 0 HD2 TYR A 92 -12.082 -24.323 -2.897 1.00 3.10 H new ATOM 0 HE1 TYR A 92 -11.309 -27.326 0.921 1.00 61.23 H new ATOM 0 HE2 TYR A 92 -10.527 -23.663 -1.116 1.00 2.30 H new ATOM 0 HH TYR A 92 -9.665 -24.160 0.864 1.00 52.44 H new ATOM 1439 N PRO A 93 -11.848 -29.438 -2.707 1.00 63.41 N ATOM 1440 CA PRO A 93 -10.619 -28.651 -2.844 1.00 10.43 C ATOM 1441 C PRO A 93 -10.084 -28.654 -4.272 1.00 1.15 C ATOM 1442 O PRO A 93 -9.301 -27.785 -4.653 1.00 23.23 O ATOM 1443 CB PRO A 93 -9.639 -29.356 -1.904 1.00 23.45 C ATOM 1444 CG PRO A 93 -10.137 -30.758 -1.819 1.00 40.15 C ATOM 1445 CD PRO A 93 -11.634 -30.673 -1.933 1.00 0.30 C ATOM 0 HA PRO A 93 -10.780 -27.600 -2.604 1.00 10.43 H new ATOM 0 HB2 PRO A 93 -8.622 -29.320 -2.294 1.00 23.45 H new ATOM 0 HB3 PRO A 93 -9.621 -28.882 -0.923 1.00 23.45 H new ATOM 0 HG2 PRO A 93 -9.719 -31.370 -2.618 1.00 40.15 H new ATOM 0 HG3 PRO A 93 -9.843 -31.220 -0.877 1.00 40.15 H new ATOM 0 HD2 PRO A 93 -12.048 -31.543 -2.442 1.00 0.30 H new ATOM 0 HD3 PRO A 93 -12.109 -30.621 -0.953 1.00 0.30 H new ATOM 1453 N ASN A 94 -10.512 -29.637 -5.057 1.00 14.21 N ATOM 1454 CA ASN A 94 -10.076 -29.753 -6.444 1.00 4.25 C ATOM 1455 C ASN A 94 -10.431 -28.496 -7.233 1.00 33.52 C ATOM 1456 O ASN A 94 -11.570 -28.030 -7.198 1.00 53.04 O ATOM 1457 CB ASN A 94 -10.713 -30.979 -7.100 1.00 55.21 C ATOM 1458 CG ASN A 94 -10.987 -32.091 -6.106 1.00 3.33 C ATOM 1459 OD1 ASN A 94 -10.072 -32.593 -5.452 1.00 51.32 O ATOM 1460 ND2 ASN A 94 -12.251 -32.481 -5.987 1.00 45.13 N ATOM 0 H ASN A 94 -11.160 -30.365 -4.757 1.00 14.21 H new ATOM 0 HA ASN A 94 -8.992 -29.869 -6.450 1.00 4.25 H new ATOM 0 HB2 ASN A 94 -11.647 -30.687 -7.580 1.00 55.21 H new ATOM 0 HB3 ASN A 94 -10.054 -31.351 -7.885 1.00 55.21 H new ATOM 0 HD21 ASN A 94 -12.496 -33.225 -5.333 1.00 45.13 H new ATOM 0 HD22 ASN A 94 -12.977 -32.037 -6.549 1.00 45.13 H new ATOM 1467 N CYS A 95 -9.449 -27.953 -7.944 1.00 60.51 N ATOM 1468 CA CYS A 95 -9.657 -26.752 -8.743 1.00 4.54 C ATOM 1469 C CYS A 95 -9.361 -27.019 -10.216 1.00 33.34 C ATOM 1470 O CYS A 95 -9.155 -26.091 -10.997 1.00 31.04 O ATOM 1471 CB CYS A 95 -8.769 -25.615 -8.232 1.00 1.13 C ATOM 1472 SG CYS A 95 -9.422 -24.766 -6.758 1.00 32.40 S ATOM 0 H CYS A 95 -8.501 -28.326 -7.983 1.00 60.51 H new ATOM 0 HA CYS A 95 -10.703 -26.460 -8.648 1.00 4.54 H new ATOM 0 HB2 CYS A 95 -7.782 -26.015 -8.000 1.00 1.13 H new ATOM 0 HB3 CYS A 95 -8.637 -24.885 -9.030 1.00 1.13 H new ATOM 1477 N ALA A 96 -9.343 -28.295 -10.587 1.00 72.22 N ATOM 1478 CA ALA A 96 -9.076 -28.686 -11.966 1.00 2.41 C ATOM 1479 C ALA A 96 -9.912 -27.864 -12.941 1.00 72.21 C ATOM 1480 O ALA A 96 -11.103 -28.121 -13.122 1.00 2.32 O ATOM 1481 CB ALA A 96 -9.347 -30.171 -12.156 1.00 1.41 C ATOM 0 H ALA A 96 -9.510 -29.076 -9.952 1.00 72.22 H new ATOM 0 HA ALA A 96 -8.024 -28.491 -12.176 1.00 2.41 H new ATOM 0 HB1 ALA A 96 -9.143 -30.449 -13.190 1.00 1.41 H new ATOM 0 HB2 ALA A 96 -8.702 -30.746 -11.492 1.00 1.41 H new ATOM 0 HB3 ALA A 96 -10.390 -30.383 -11.922 1.00 1.41 H new ATOM 1487 N TYR A 97 -9.282 -26.876 -13.566 1.00 54.15 N ATOM 1488 CA TYR A 97 -9.970 -26.015 -14.521 1.00 41.42 C ATOM 1489 C TYR A 97 -9.703 -26.467 -15.954 1.00 21.14 C ATOM 1490 O TYR A 97 -8.959 -27.420 -16.187 1.00 4.50 O ATOM 1491 CB TYR A 97 -9.525 -24.562 -14.342 1.00 70.20 C ATOM 1492 CG TYR A 97 -9.605 -24.076 -12.912 1.00 75.25 C ATOM 1493 CD1 TYR A 97 -10.794 -24.154 -12.198 1.00 35.34 C ATOM 1494 CD2 TYR A 97 -8.493 -23.538 -12.277 1.00 73.20 C ATOM 1495 CE1 TYR A 97 -10.873 -23.711 -10.891 1.00 50.05 C ATOM 1496 CE2 TYR A 97 -8.562 -23.094 -10.971 1.00 12.11 C ATOM 1497 CZ TYR A 97 -9.754 -23.182 -10.282 1.00 72.14 C ATOM 1498 OH TYR A 97 -9.827 -22.739 -8.982 1.00 33.24 O ATOM 0 H TYR A 97 -8.297 -26.651 -13.429 1.00 54.15 H new ATOM 0 HA TYR A 97 -11.041 -26.087 -14.330 1.00 41.42 H new ATOM 0 HB2 TYR A 97 -8.499 -24.459 -14.695 1.00 70.20 H new ATOM 0 HB3 TYR A 97 -10.144 -23.921 -14.970 1.00 70.20 H new ATOM 0 HD1 TYR A 97 -11.672 -24.568 -12.672 1.00 35.34 H new ATOM 0 HD2 TYR A 97 -7.559 -23.466 -12.814 1.00 73.20 H new ATOM 0 HE1 TYR A 97 -11.805 -23.779 -10.350 1.00 50.05 H new ATOM 0 HE2 TYR A 97 -7.687 -22.680 -10.492 1.00 12.11 H new ATOM 0 HH TYR A 97 -10.063 -23.487 -8.394 1.00 33.24 H new ATOM 1508 N ARG A 98 -10.316 -25.776 -16.909 1.00 64.12 N ATOM 1509 CA ARG A 98 -10.146 -26.106 -18.319 1.00 44.11 C ATOM 1510 C ARG A 98 -9.323 -25.037 -19.032 1.00 44.21 C ATOM 1511 O ARG A 98 -9.825 -23.957 -19.346 1.00 60.24 O ATOM 1512 CB ARG A 98 -11.508 -26.253 -18.998 1.00 54.14 C ATOM 1513 CG ARG A 98 -11.813 -27.671 -19.452 1.00 63.25 C ATOM 1514 CD ARG A 98 -12.060 -27.735 -20.952 1.00 21.34 C ATOM 1515 NE ARG A 98 -13.450 -27.441 -21.290 1.00 44.32 N ATOM 1516 CZ ARG A 98 -14.037 -27.854 -22.408 1.00 12.43 C ATOM 1517 NH1 ARG A 98 -13.359 -28.575 -23.289 1.00 72.43 N ATOM 1518 NH2 ARG A 98 -15.306 -27.545 -22.645 1.00 23.12 N ATOM 0 H ARG A 98 -10.935 -24.984 -16.732 1.00 64.12 H new ATOM 0 HA ARG A 98 -9.612 -27.054 -18.383 1.00 44.11 H new ATOM 0 HB2 ARG A 98 -12.286 -25.927 -18.308 1.00 54.14 H new ATOM 0 HB3 ARG A 98 -11.548 -25.588 -19.861 1.00 54.14 H new ATOM 0 HG2 ARG A 98 -10.981 -28.325 -19.191 1.00 63.25 H new ATOM 0 HG3 ARG A 98 -12.689 -28.043 -18.922 1.00 63.25 H new ATOM 0 HD2 ARG A 98 -11.406 -27.025 -21.458 1.00 21.34 H new ATOM 0 HD3 ARG A 98 -11.799 -28.727 -21.320 1.00 21.34 H new ATOM 0 HE ARG A 98 -14.000 -26.889 -20.632 1.00 44.32 H new ATOM 0 HH11 ARG A 98 -12.384 -28.814 -23.110 1.00 72.43 H new ATOM 0 HH12 ARG A 98 -13.812 -28.891 -24.146 1.00 72.43 H new ATOM 0 HH21 ARG A 98 -15.831 -26.990 -21.969 1.00 23.12 H new ATOM 0 HH22 ARG A 98 -15.756 -27.862 -23.503 1.00 23.12 H new ATOM 1532 N THR A 99 -8.054 -25.344 -19.284 1.00 60.25 N ATOM 1533 CA THR A 99 -7.161 -24.410 -19.958 1.00 62.32 C ATOM 1534 C THR A 99 -7.340 -24.472 -21.471 1.00 12.23 C ATOM 1535 O THR A 99 -6.843 -25.386 -22.128 1.00 21.33 O ATOM 1536 CB THR A 99 -5.687 -24.696 -19.616 1.00 25.45 C ATOM 1537 OG1 THR A 99 -5.554 -24.975 -18.217 1.00 43.32 O ATOM 1538 CG2 THR A 99 -4.805 -23.514 -19.988 1.00 60.04 C ATOM 0 H THR A 99 -7.622 -26.233 -19.031 1.00 60.25 H new ATOM 0 HA THR A 99 -7.422 -23.413 -19.604 1.00 62.32 H new ATOM 0 HB THR A 99 -5.366 -25.564 -20.192 1.00 25.45 H new ATOM 0 HG1 THR A 99 -5.206 -25.883 -18.096 1.00 43.32 H new ATOM 0 HG21 THR A 99 -3.769 -23.740 -19.737 1.00 60.04 H new ATOM 0 HG22 THR A 99 -4.886 -23.322 -21.058 1.00 60.04 H new ATOM 0 HG23 THR A 99 -5.128 -22.631 -19.436 1.00 60.04 H new ATOM 1546 N SER A 100 -8.053 -23.492 -22.018 1.00 33.53 N ATOM 1547 CA SER A 100 -8.301 -23.437 -23.454 1.00 21.43 C ATOM 1548 C SER A 100 -7.502 -22.310 -24.100 1.00 10.52 C ATOM 1549 O SER A 100 -7.880 -21.139 -24.050 1.00 1.13 O ATOM 1550 CB SER A 100 -9.793 -23.243 -23.728 1.00 53.42 C ATOM 1551 OG SER A 100 -10.161 -23.808 -24.975 1.00 4.42 O ATOM 0 H SER A 100 -8.469 -22.726 -21.488 1.00 33.53 H new ATOM 0 HA SER A 100 -7.979 -24.383 -23.890 1.00 21.43 H new ATOM 0 HB2 SER A 100 -10.375 -23.704 -22.930 1.00 53.42 H new ATOM 0 HB3 SER A 100 -10.032 -22.179 -23.723 1.00 53.42 H new ATOM 0 HG SER A 100 -11.120 -23.672 -25.126 1.00 4.42 H new ATOM 1557 N PRO A 101 -6.369 -22.669 -24.722 1.00 34.00 N ATOM 1558 CA PRO A 101 -5.493 -21.703 -25.391 1.00 22.12 C ATOM 1559 C PRO A 101 -6.121 -21.129 -26.656 1.00 11.00 C ATOM 1560 O PRO A 101 -6.389 -21.855 -27.613 1.00 72.23 O ATOM 1561 CB PRO A 101 -4.253 -22.531 -25.738 1.00 4.43 C ATOM 1562 CG PRO A 101 -4.746 -23.933 -25.827 1.00 71.33 C ATOM 1563 CD PRO A 101 -5.858 -24.046 -24.821 1.00 62.30 C ATOM 0 HA PRO A 101 -5.283 -20.838 -24.761 1.00 22.12 H new ATOM 0 HB2 PRO A 101 -3.811 -22.206 -26.680 1.00 4.43 H new ATOM 0 HB3 PRO A 101 -3.483 -22.430 -24.973 1.00 4.43 H new ATOM 0 HG2 PRO A 101 -5.104 -24.158 -26.832 1.00 71.33 H new ATOM 0 HG3 PRO A 101 -3.948 -24.642 -25.607 1.00 71.33 H new ATOM 0 HD2 PRO A 101 -6.631 -24.739 -25.153 1.00 62.30 H new ATOM 0 HD3 PRO A 101 -5.495 -24.410 -23.860 1.00 62.30 H new ATOM 1571 N LYS A 102 -6.354 -19.821 -26.654 1.00 43.23 N ATOM 1572 CA LYS A 102 -6.949 -19.148 -27.802 1.00 52.44 C ATOM 1573 C LYS A 102 -6.839 -17.633 -27.662 1.00 43.35 C ATOM 1574 O LYS A 102 -6.727 -17.110 -26.554 1.00 40.23 O ATOM 1575 CB LYS A 102 -8.418 -19.551 -27.951 1.00 10.12 C ATOM 1576 CG LYS A 102 -8.713 -20.314 -29.231 1.00 0.14 C ATOM 1577 CD LYS A 102 -8.867 -21.803 -28.969 1.00 54.31 C ATOM 1578 CE LYS A 102 -10.255 -22.294 -29.350 1.00 35.53 C ATOM 1579 NZ LYS A 102 -10.797 -23.255 -28.349 1.00 73.10 N ATOM 0 H LYS A 102 -6.140 -19.206 -25.869 1.00 43.23 H new ATOM 0 HA LYS A 102 -6.402 -19.454 -28.694 1.00 52.44 H new ATOM 0 HB2 LYS A 102 -8.706 -20.165 -27.098 1.00 10.12 H new ATOM 0 HB3 LYS A 102 -9.037 -18.654 -27.922 1.00 10.12 H new ATOM 0 HG2 LYS A 102 -9.626 -19.927 -29.684 1.00 0.14 H new ATOM 0 HG3 LYS A 102 -7.907 -20.151 -29.947 1.00 0.14 H new ATOM 0 HD2 LYS A 102 -8.117 -22.353 -29.537 1.00 54.31 H new ATOM 0 HD3 LYS A 102 -8.683 -22.009 -27.915 1.00 54.31 H new ATOM 0 HE2 LYS A 102 -10.930 -21.443 -29.439 1.00 35.53 H new ATOM 0 HE3 LYS A 102 -10.215 -22.773 -30.329 1.00 35.53 H new ATOM 0 HZ1 LYS A 102 -11.744 -23.566 -28.644 1.00 73.10 H new ATOM 0 HZ2 LYS A 102 -10.167 -24.079 -28.282 1.00 73.10 H new ATOM 0 HZ3 LYS A 102 -10.859 -22.791 -27.420 1.00 73.10 H new ATOM 1593 N GLU A 103 -6.872 -16.934 -28.793 1.00 71.42 N ATOM 1594 CA GLU A 103 -6.776 -15.479 -28.795 1.00 33.43 C ATOM 1595 C GLU A 103 -8.006 -14.854 -29.446 1.00 53.31 C ATOM 1596 O GLU A 103 -8.397 -15.232 -30.550 1.00 71.25 O ATOM 1597 CB GLU A 103 -5.512 -15.030 -29.530 1.00 70.24 C ATOM 1598 CG GLU A 103 -5.414 -15.559 -30.951 1.00 72.14 C ATOM 1599 CD GLU A 103 -4.204 -15.024 -31.691 1.00 43.32 C ATOM 1600 OE1 GLU A 103 -3.129 -15.653 -31.602 1.00 64.13 O ATOM 1601 OE2 GLU A 103 -4.331 -13.976 -32.358 1.00 60.04 O ATOM 0 H GLU A 103 -6.964 -17.352 -29.719 1.00 71.42 H new ATOM 0 HA GLU A 103 -6.724 -15.142 -27.760 1.00 33.43 H new ATOM 0 HB2 GLU A 103 -5.483 -13.941 -29.554 1.00 70.24 H new ATOM 0 HB3 GLU A 103 -4.638 -15.359 -28.968 1.00 70.24 H new ATOM 0 HG2 GLU A 103 -5.368 -16.648 -30.927 1.00 72.14 H new ATOM 0 HG3 GLU A 103 -6.318 -15.290 -31.498 1.00 72.14 H new ATOM 1608 N ARG A 104 -8.612 -13.895 -28.753 1.00 51.24 N ATOM 1609 CA ARG A 104 -9.799 -13.218 -29.263 1.00 5.43 C ATOM 1610 C ARG A 104 -10.058 -11.924 -28.496 1.00 24.23 C ATOM 1611 O ARG A 104 -9.334 -11.591 -27.557 1.00 23.23 O ATOM 1612 CB ARG A 104 -11.018 -14.136 -29.162 1.00 52.44 C ATOM 1613 CG ARG A 104 -11.934 -14.066 -30.374 1.00 22.34 C ATOM 1614 CD ARG A 104 -11.790 -15.299 -31.252 1.00 63.21 C ATOM 1615 NE ARG A 104 -10.858 -15.080 -32.355 1.00 2.41 N ATOM 1616 CZ ARG A 104 -10.802 -15.851 -33.435 1.00 30.44 C ATOM 1617 NH1 ARG A 104 -11.621 -16.887 -33.556 1.00 65.41 N ATOM 1618 NH2 ARG A 104 -9.926 -15.587 -34.396 1.00 75.10 N ATOM 0 H ARG A 104 -8.301 -13.570 -27.838 1.00 51.24 H new ATOM 0 HA ARG A 104 -9.625 -12.971 -30.310 1.00 5.43 H new ATOM 0 HB2 ARG A 104 -10.679 -15.164 -29.032 1.00 52.44 H new ATOM 0 HB3 ARG A 104 -11.588 -13.873 -28.271 1.00 52.44 H new ATOM 0 HG2 ARG A 104 -12.969 -13.971 -30.045 1.00 22.34 H new ATOM 0 HG3 ARG A 104 -11.702 -13.174 -30.956 1.00 22.34 H new ATOM 0 HD2 ARG A 104 -11.444 -16.137 -30.646 1.00 63.21 H new ATOM 0 HD3 ARG A 104 -12.766 -15.576 -31.651 1.00 63.21 H new ATOM 0 HE ARG A 104 -10.214 -14.291 -32.292 1.00 2.41 H new ATOM 0 HH11 ARG A 104 -12.295 -17.093 -32.819 1.00 65.41 H new ATOM 0 HH12 ARG A 104 -11.577 -17.478 -34.386 1.00 65.41 H new ATOM 0 HH21 ARG A 104 -9.294 -14.791 -34.306 1.00 75.10 H new ATOM 0 HH22 ARG A 104 -9.884 -16.180 -35.225 1.00 75.10 H new ATOM 1632 N HIS A 105 -11.094 -11.199 -28.902 1.00 54.54 N ATOM 1633 CA HIS A 105 -11.449 -9.941 -28.253 1.00 72.35 C ATOM 1634 C HIS A 105 -11.641 -10.140 -26.753 1.00 5.41 C ATOM 1635 O HIS A 105 -11.825 -11.263 -26.284 1.00 71.33 O ATOM 1636 CB HIS A 105 -12.725 -9.367 -28.871 1.00 4.35 C ATOM 1637 CG HIS A 105 -12.608 -9.090 -30.338 1.00 10.22 C ATOM 1638 ND1 HIS A 105 -12.701 -7.823 -30.874 1.00 51.14 N ATOM 1639 CD2 HIS A 105 -12.403 -9.925 -31.383 1.00 21.21 C ATOM 1640 CE1 HIS A 105 -12.560 -7.891 -32.186 1.00 71.31 C ATOM 1641 NE2 HIS A 105 -12.377 -9.156 -32.520 1.00 73.12 N ATOM 0 H HIS A 105 -11.703 -11.460 -29.677 1.00 54.54 H new ATOM 0 HA HIS A 105 -10.631 -9.237 -28.407 1.00 72.35 H new ATOM 0 HB2 HIS A 105 -13.545 -10.066 -28.706 1.00 4.35 H new ATOM 0 HB3 HIS A 105 -12.985 -8.443 -28.355 1.00 4.35 H new ATOM 0 HD2 HIS A 105 -12.282 -10.997 -31.332 1.00 21.21 H new ATOM 0 HE1 HIS A 105 -12.589 -7.055 -32.869 1.00 71.31 H new ATOM 0 HE2 HIS A 105 -12.239 -9.505 -33.469 1.00 73.12 H new ATOM 1649 N ILE A 106 -11.594 -9.042 -26.005 1.00 74.04 N ATOM 1650 CA ILE A 106 -11.763 -9.096 -24.559 1.00 32.14 C ATOM 1651 C ILE A 106 -12.305 -7.777 -24.019 1.00 10.14 C ATOM 1652 O ILE A 106 -11.722 -6.716 -24.244 1.00 62.11 O ATOM 1653 CB ILE A 106 -10.436 -9.422 -23.849 1.00 2.12 C ATOM 1654 CG1 ILE A 106 -9.250 -9.038 -24.736 1.00 50.13 C ATOM 1655 CG2 ILE A 106 -10.377 -10.898 -23.487 1.00 32.42 C ATOM 1656 CD1 ILE A 106 -8.063 -8.507 -23.963 1.00 14.11 C ATOM 0 H ILE A 106 -11.440 -8.105 -26.377 1.00 74.04 H new ATOM 0 HA ILE A 106 -12.480 -9.891 -24.355 1.00 32.14 H new ATOM 0 HB ILE A 106 -10.381 -8.840 -22.929 1.00 2.12 H new ATOM 0 HG12 ILE A 106 -8.938 -9.911 -25.310 1.00 50.13 H new ATOM 0 HG13 ILE A 106 -9.573 -8.284 -25.453 1.00 50.13 H new ATOM 0 HG21 ILE A 106 -9.433 -11.112 -22.986 1.00 32.42 H new ATOM 0 HG22 ILE A 106 -11.205 -11.143 -22.821 1.00 32.42 H new ATOM 0 HG23 ILE A 106 -10.451 -11.498 -24.394 1.00 32.42 H new ATOM 0 HD11 ILE A 106 -7.260 -8.255 -24.656 1.00 14.11 H new ATOM 0 HD12 ILE A 106 -8.358 -7.615 -23.410 1.00 14.11 H new ATOM 0 HD13 ILE A 106 -7.714 -9.268 -23.265 1.00 14.11 H new ATOM 1668 N ILE A 107 -13.422 -7.851 -23.304 1.00 35.13 N ATOM 1669 CA ILE A 107 -14.041 -6.663 -22.729 1.00 32.01 C ATOM 1670 C ILE A 107 -13.664 -6.503 -21.260 1.00 41.41 C ATOM 1671 O ILE A 107 -13.934 -7.379 -20.439 1.00 63.52 O ATOM 1672 CB ILE A 107 -15.576 -6.713 -22.851 1.00 3.35 C ATOM 1673 CG1 ILE A 107 -15.984 -7.380 -24.165 1.00 64.35 C ATOM 1674 CG2 ILE A 107 -16.160 -5.311 -22.758 1.00 41.14 C ATOM 1675 CD1 ILE A 107 -17.454 -7.728 -24.236 1.00 51.41 C ATOM 0 H ILE A 107 -13.917 -8.721 -23.109 1.00 35.13 H new ATOM 0 HA ILE A 107 -13.667 -5.808 -23.293 1.00 32.01 H new ATOM 0 HB ILE A 107 -15.972 -7.306 -22.027 1.00 3.35 H new ATOM 0 HG12 ILE A 107 -15.736 -6.715 -24.993 1.00 64.35 H new ATOM 0 HG13 ILE A 107 -15.397 -8.289 -24.299 1.00 64.35 H new ATOM 0 HG21 ILE A 107 -17.245 -5.362 -22.846 1.00 41.14 H new ATOM 0 HG22 ILE A 107 -15.894 -4.869 -21.798 1.00 41.14 H new ATOM 0 HG23 ILE A 107 -15.759 -4.696 -23.564 1.00 41.14 H new ATOM 0 HD11 ILE A 107 -17.671 -8.198 -25.195 1.00 51.41 H new ATOM 0 HD12 ILE A 107 -17.704 -8.418 -23.430 1.00 51.41 H new ATOM 0 HD13 ILE A 107 -18.048 -6.820 -24.134 1.00 51.41 H new ATOM 1687 N VAL A 108 -13.039 -5.375 -20.935 1.00 32.20 N ATOM 1688 CA VAL A 108 -12.627 -5.097 -19.564 1.00 70.53 C ATOM 1689 C VAL A 108 -13.131 -3.734 -19.104 1.00 74.33 C ATOM 1690 O VAL A 108 -13.478 -2.881 -19.921 1.00 21.51 O ATOM 1691 CB VAL A 108 -11.094 -5.141 -19.419 1.00 72.23 C ATOM 1692 CG1 VAL A 108 -10.640 -6.519 -18.962 1.00 71.11 C ATOM 1693 CG2 VAL A 108 -10.424 -4.758 -20.730 1.00 54.22 C ATOM 0 H VAL A 108 -12.807 -4.639 -21.602 1.00 32.20 H new ATOM 0 HA VAL A 108 -13.066 -5.874 -18.938 1.00 70.53 H new ATOM 0 HB VAL A 108 -10.797 -4.417 -18.660 1.00 72.23 H new ATOM 0 HG11 VAL A 108 -9.554 -6.531 -18.865 1.00 71.11 H new ATOM 0 HG12 VAL A 108 -11.093 -6.750 -17.998 1.00 71.11 H new ATOM 0 HG13 VAL A 108 -10.947 -7.265 -19.695 1.00 71.11 H new ATOM 0 HG21 VAL A 108 -9.341 -4.794 -20.609 1.00 54.22 H new ATOM 0 HG22 VAL A 108 -10.726 -5.456 -21.511 1.00 54.22 H new ATOM 0 HG23 VAL A 108 -10.724 -3.748 -21.011 1.00 54.22 H new ATOM 1703 N ALA A 109 -13.169 -3.536 -17.791 1.00 32.03 N ATOM 1704 CA ALA A 109 -13.629 -2.275 -17.221 1.00 63.34 C ATOM 1705 C ALA A 109 -12.464 -1.474 -16.650 1.00 21.11 C ATOM 1706 O ALA A 109 -11.974 -1.764 -15.558 1.00 13.22 O ATOM 1707 CB ALA A 109 -14.674 -2.532 -16.146 1.00 3.24 C ATOM 0 H ALA A 109 -12.887 -4.233 -17.101 1.00 32.03 H new ATOM 0 HA ALA A 109 -14.083 -1.687 -18.019 1.00 63.34 H new ATOM 0 HB1 ALA A 109 -15.008 -1.582 -15.729 1.00 3.24 H new ATOM 0 HB2 ALA A 109 -15.524 -3.056 -16.583 1.00 3.24 H new ATOM 0 HB3 ALA A 109 -14.239 -3.142 -15.355 1.00 3.24 H new ATOM 1713 N CYS A 110 -12.024 -0.466 -17.395 1.00 4.43 N ATOM 1714 CA CYS A 110 -10.915 0.377 -16.963 1.00 52.33 C ATOM 1715 C CYS A 110 -11.427 1.639 -16.274 1.00 34.55 C ATOM 1716 O CYS A 110 -12.508 2.135 -16.590 1.00 31.24 O ATOM 1717 CB CYS A 110 -10.040 0.757 -18.159 1.00 61.34 C ATOM 1718 SG CYS A 110 -10.881 0.618 -19.770 1.00 5.14 S ATOM 0 H CYS A 110 -12.418 -0.213 -18.301 1.00 4.43 H new ATOM 0 HA CYS A 110 -10.318 -0.190 -16.249 1.00 52.33 H new ATOM 0 HB2 CYS A 110 -9.692 1.782 -18.030 1.00 61.34 H new ATOM 0 HB3 CYS A 110 -9.156 0.119 -18.166 1.00 61.34 H new ATOM 1723 N GLU A 111 -10.643 2.151 -15.330 1.00 61.24 N ATOM 1724 CA GLU A 111 -11.018 3.353 -14.596 1.00 42.50 C ATOM 1725 C GLU A 111 -9.832 3.900 -13.806 1.00 51.42 C ATOM 1726 O GLU A 111 -8.860 3.190 -13.554 1.00 2.32 O ATOM 1727 CB GLU A 111 -12.183 3.057 -13.649 1.00 5.30 C ATOM 1728 CG GLU A 111 -13.101 4.247 -13.423 1.00 25.33 C ATOM 1729 CD GLU A 111 -14.232 4.310 -14.430 1.00 40.42 C ATOM 1730 OE1 GLU A 111 -13.960 4.156 -15.639 1.00 51.11 O ATOM 1731 OE2 GLU A 111 -15.390 4.514 -14.009 1.00 1.51 O ATOM 0 H GLU A 111 -9.745 1.752 -15.056 1.00 61.24 H new ATOM 0 HA GLU A 111 -11.330 4.107 -15.319 1.00 42.50 H new ATOM 0 HB2 GLU A 111 -12.767 2.230 -14.052 1.00 5.30 H new ATOM 0 HB3 GLU A 111 -11.785 2.728 -12.689 1.00 5.30 H new ATOM 0 HG2 GLU A 111 -13.518 4.194 -12.417 1.00 25.33 H new ATOM 0 HG3 GLU A 111 -12.518 5.166 -13.479 1.00 25.33 H new ATOM 1738 N GLY A 112 -9.921 5.169 -13.419 1.00 40.43 N ATOM 1739 CA GLY A 112 -8.850 5.791 -12.663 1.00 44.11 C ATOM 1740 C GLY A 112 -7.953 6.653 -13.529 1.00 51.24 C ATOM 1741 O GLY A 112 -8.380 7.157 -14.568 1.00 14.42 O ATOM 0 H GLY A 112 -10.716 5.777 -13.616 1.00 40.43 H new ATOM 0 HA2 GLY A 112 -9.278 6.402 -11.868 1.00 44.11 H new ATOM 0 HA3 GLY A 112 -8.251 5.017 -12.183 1.00 44.11 H new ATOM 1745 N SER A 113 -6.706 6.825 -13.101 1.00 74.44 N ATOM 1746 CA SER A 113 -5.749 7.637 -13.843 1.00 25.43 C ATOM 1747 C SER A 113 -4.331 7.102 -13.665 1.00 23.11 C ATOM 1748 O SER A 113 -3.809 7.012 -12.554 1.00 25.24 O ATOM 1749 CB SER A 113 -5.818 9.094 -13.381 1.00 61.41 C ATOM 1750 OG SER A 113 -5.100 9.942 -14.260 1.00 70.25 O ATOM 0 H SER A 113 -6.335 6.413 -12.245 1.00 74.44 H new ATOM 0 HA SER A 113 -6.009 7.586 -14.900 1.00 25.43 H new ATOM 0 HB2 SER A 113 -6.859 9.414 -13.331 1.00 61.41 H new ATOM 0 HB3 SER A 113 -5.410 9.179 -12.374 1.00 61.41 H new ATOM 0 HG SER A 113 -5.161 10.868 -13.944 1.00 70.25 H new ATOM 1756 N PRO A 114 -3.692 6.738 -14.787 1.00 4.04 N ATOM 1757 CA PRO A 114 -4.303 6.840 -16.115 1.00 13.11 C ATOM 1758 C PRO A 114 -5.430 5.832 -16.313 1.00 51.12 C ATOM 1759 O PRO A 114 -5.752 5.061 -15.409 1.00 72.32 O ATOM 1760 CB PRO A 114 -3.142 6.537 -17.065 1.00 4.44 C ATOM 1761 CG PRO A 114 -2.201 5.707 -16.261 1.00 15.24 C ATOM 1762 CD PRO A 114 -2.323 6.198 -14.845 1.00 3.45 C ATOM 0 HA PRO A 114 -4.761 7.815 -16.279 1.00 13.11 H new ATOM 0 HB2 PRO A 114 -3.485 6.002 -17.951 1.00 4.44 H new ATOM 0 HB3 PRO A 114 -2.664 7.454 -17.411 1.00 4.44 H new ATOM 0 HG2 PRO A 114 -2.456 4.650 -16.331 1.00 15.24 H new ATOM 0 HG3 PRO A 114 -1.179 5.813 -16.624 1.00 15.24 H new ATOM 0 HD2 PRO A 114 -2.179 5.391 -14.126 1.00 3.45 H new ATOM 0 HD3 PRO A 114 -1.580 6.963 -14.620 1.00 3.45 H new ATOM 1770 N TYR A 115 -6.025 5.843 -17.501 1.00 13.44 N ATOM 1771 CA TYR A 115 -7.118 4.931 -17.817 1.00 1.04 C ATOM 1772 C TYR A 115 -6.592 3.525 -18.091 1.00 1.45 C ATOM 1773 O TYR A 115 -6.072 3.244 -19.170 1.00 72.34 O ATOM 1774 CB TYR A 115 -7.901 5.440 -19.028 1.00 62.32 C ATOM 1775 CG TYR A 115 -9.396 5.480 -18.809 1.00 54.22 C ATOM 1776 CD1 TYR A 115 -9.929 5.895 -17.595 1.00 33.44 C ATOM 1777 CD2 TYR A 115 -10.276 5.103 -19.816 1.00 54.30 C ATOM 1778 CE1 TYR A 115 -11.295 5.933 -17.390 1.00 21.44 C ATOM 1779 CE2 TYR A 115 -11.643 5.140 -19.620 1.00 74.44 C ATOM 1780 CZ TYR A 115 -12.148 5.555 -18.406 1.00 22.34 C ATOM 1781 OH TYR A 115 -13.509 5.591 -18.206 1.00 61.24 O ATOM 0 H TYR A 115 -5.769 6.473 -18.261 1.00 13.44 H new ATOM 0 HA TYR A 115 -7.783 4.889 -16.955 1.00 1.04 H new ATOM 0 HB2 TYR A 115 -7.552 6.441 -19.281 1.00 62.32 H new ATOM 0 HB3 TYR A 115 -7.685 4.801 -19.885 1.00 62.32 H new ATOM 0 HD1 TYR A 115 -9.264 6.193 -16.798 1.00 33.44 H new ATOM 0 HD2 TYR A 115 -9.885 4.776 -20.768 1.00 54.30 H new ATOM 0 HE1 TYR A 115 -11.693 6.257 -16.440 1.00 21.44 H new ATOM 0 HE2 TYR A 115 -12.313 4.845 -20.414 1.00 74.44 H new ATOM 0 HH TYR A 115 -13.969 5.402 -19.050 1.00 61.24 H new ATOM 1791 N VAL A 116 -6.731 2.646 -17.104 1.00 34.42 N ATOM 1792 CA VAL A 116 -6.273 1.268 -17.237 1.00 43.11 C ATOM 1793 C VAL A 116 -7.344 0.285 -16.779 1.00 11.32 C ATOM 1794 O VAL A 116 -8.216 0.610 -15.972 1.00 42.24 O ATOM 1795 CB VAL A 116 -4.987 1.024 -16.426 1.00 24.15 C ATOM 1796 CG1 VAL A 116 -4.153 2.294 -16.350 1.00 52.11 C ATOM 1797 CG2 VAL A 116 -5.325 0.515 -15.033 1.00 22.25 C ATOM 0 H VAL A 116 -7.157 2.864 -16.203 1.00 34.42 H new ATOM 0 HA VAL A 116 -6.064 1.105 -18.294 1.00 43.11 H new ATOM 0 HB VAL A 116 -4.397 0.261 -16.934 1.00 24.15 H new ATOM 0 HG11 VAL A 116 -3.249 2.101 -15.773 1.00 52.11 H new ATOM 0 HG12 VAL A 116 -3.881 2.611 -17.357 1.00 52.11 H new ATOM 0 HG13 VAL A 116 -4.732 3.081 -15.866 1.00 52.11 H new ATOM 0 HG21 VAL A 116 -4.405 0.348 -14.473 1.00 22.25 H new ATOM 0 HG22 VAL A 116 -5.936 1.254 -14.514 1.00 22.25 H new ATOM 0 HG23 VAL A 116 -5.877 -0.422 -15.112 1.00 22.25 H new ATOM 1807 N PRO A 117 -7.280 -0.947 -17.304 1.00 22.42 N ATOM 1808 CA PRO A 117 -8.236 -2.004 -16.962 1.00 75.21 C ATOM 1809 C PRO A 117 -8.067 -2.499 -15.530 1.00 25.11 C ATOM 1810 O PRO A 117 -7.029 -3.060 -15.175 1.00 15.41 O ATOM 1811 CB PRO A 117 -7.903 -3.119 -17.956 1.00 71.43 C ATOM 1812 CG PRO A 117 -6.475 -2.893 -18.314 1.00 62.23 C ATOM 1813 CD PRO A 117 -6.268 -1.404 -18.271 1.00 23.51 C ATOM 0 HA PRO A 117 -9.267 -1.655 -17.021 1.00 75.21 H new ATOM 0 HB2 PRO A 117 -8.048 -4.103 -17.510 1.00 71.43 H new ATOM 0 HB3 PRO A 117 -8.544 -3.070 -18.836 1.00 71.43 H new ATOM 0 HG2 PRO A 117 -5.812 -3.400 -17.613 1.00 62.23 H new ATOM 0 HG3 PRO A 117 -6.254 -3.289 -19.305 1.00 62.23 H new ATOM 0 HD2 PRO A 117 -5.259 -1.148 -17.948 1.00 23.51 H new ATOM 0 HD3 PRO A 117 -6.414 -0.949 -19.251 1.00 23.51 H new ATOM 1821 N VAL A 118 -9.092 -2.289 -14.710 1.00 42.23 N ATOM 1822 CA VAL A 118 -9.056 -2.715 -13.317 1.00 34.35 C ATOM 1823 C VAL A 118 -10.065 -3.829 -13.057 1.00 3.33 C ATOM 1824 O VAL A 118 -10.256 -4.255 -11.917 1.00 45.12 O ATOM 1825 CB VAL A 118 -9.347 -1.541 -12.363 1.00 33.32 C ATOM 1826 CG1 VAL A 118 -8.250 -0.492 -12.457 1.00 54.24 C ATOM 1827 CG2 VAL A 118 -10.707 -0.932 -12.668 1.00 53.11 C ATOM 0 H VAL A 118 -9.958 -1.826 -14.987 1.00 42.23 H new ATOM 0 HA VAL A 118 -8.050 -3.088 -13.126 1.00 34.35 H new ATOM 0 HB VAL A 118 -9.366 -1.921 -11.342 1.00 33.32 H new ATOM 0 HG11 VAL A 118 -8.473 0.329 -11.776 1.00 54.24 H new ATOM 0 HG12 VAL A 118 -7.294 -0.940 -12.185 1.00 54.24 H new ATOM 0 HG13 VAL A 118 -8.196 -0.113 -13.477 1.00 54.24 H new ATOM 0 HG21 VAL A 118 -10.896 -0.104 -11.985 1.00 53.11 H new ATOM 0 HG22 VAL A 118 -10.720 -0.566 -13.694 1.00 53.11 H new ATOM 0 HG23 VAL A 118 -11.481 -1.689 -12.544 1.00 53.11 H new ATOM 1837 N HIS A 119 -10.708 -4.297 -14.121 1.00 74.13 N ATOM 1838 CA HIS A 119 -11.698 -5.363 -14.009 1.00 23.02 C ATOM 1839 C HIS A 119 -11.881 -6.077 -15.345 1.00 15.23 C ATOM 1840 O HIS A 119 -11.800 -5.459 -16.407 1.00 11.04 O ATOM 1841 CB HIS A 119 -13.036 -4.798 -13.531 1.00 45.41 C ATOM 1842 CG HIS A 119 -14.224 -5.500 -14.111 1.00 71.24 C ATOM 1843 ND1 HIS A 119 -15.237 -6.029 -13.339 1.00 41.13 N ATOM 1844 CD2 HIS A 119 -14.559 -5.758 -15.397 1.00 74.32 C ATOM 1845 CE1 HIS A 119 -16.143 -6.583 -14.125 1.00 22.31 C ATOM 1846 NE2 HIS A 119 -15.756 -6.432 -15.379 1.00 23.34 N ATOM 0 H HIS A 119 -10.562 -3.955 -15.071 1.00 74.13 H new ATOM 0 HA HIS A 119 -11.336 -6.086 -13.278 1.00 23.02 H new ATOM 0 HB2 HIS A 119 -13.081 -4.863 -12.444 1.00 45.41 H new ATOM 0 HB3 HIS A 119 -13.087 -3.740 -13.789 1.00 45.41 H new ATOM 0 HD2 HIS A 119 -13.991 -5.485 -16.274 1.00 74.32 H new ATOM 0 HE1 HIS A 119 -17.047 -7.076 -13.798 1.00 22.31 H new ATOM 0 HE2 HIS A 119 -16.263 -6.762 -16.200 1.00 23.34 H new ATOM 1854 N PHE A 120 -12.129 -7.381 -15.284 1.00 62.01 N ATOM 1855 CA PHE A 120 -12.322 -8.179 -16.489 1.00 73.30 C ATOM 1856 C PHE A 120 -13.778 -8.615 -16.625 1.00 14.12 C ATOM 1857 O PHE A 120 -14.400 -9.051 -15.656 1.00 10.13 O ATOM 1858 CB PHE A 120 -11.411 -9.408 -16.464 1.00 42.03 C ATOM 1859 CG PHE A 120 -10.877 -9.786 -17.816 1.00 53.15 C ATOM 1860 CD1 PHE A 120 -11.640 -10.546 -18.689 1.00 3.11 C ATOM 1861 CD2 PHE A 120 -9.614 -9.381 -18.215 1.00 42.14 C ATOM 1862 CE1 PHE A 120 -11.151 -10.896 -19.933 1.00 43.34 C ATOM 1863 CE2 PHE A 120 -9.120 -9.727 -19.459 1.00 24.31 C ATOM 1864 CZ PHE A 120 -9.890 -10.485 -20.319 1.00 43.14 C ATOM 0 H PHE A 120 -12.201 -7.907 -14.413 1.00 62.01 H new ATOM 0 HA PHE A 120 -12.064 -7.561 -17.349 1.00 73.30 H new ATOM 0 HB2 PHE A 120 -10.574 -9.216 -15.792 1.00 42.03 H new ATOM 0 HB3 PHE A 120 -11.964 -10.252 -16.052 1.00 42.03 H new ATOM 0 HD1 PHE A 120 -12.628 -10.868 -18.393 1.00 3.11 H new ATOM 0 HD2 PHE A 120 -9.008 -8.788 -17.546 1.00 42.14 H new ATOM 0 HE1 PHE A 120 -11.754 -11.491 -20.603 1.00 43.34 H new ATOM 0 HE2 PHE A 120 -8.133 -9.405 -19.758 1.00 24.31 H new ATOM 0 HZ PHE A 120 -9.507 -10.756 -21.292 1.00 43.14 H new ATOM 1874 N ASP A 121 -14.316 -8.493 -17.834 1.00 3.04 N ATOM 1875 CA ASP A 121 -15.698 -8.874 -18.098 1.00 33.33 C ATOM 1876 C ASP A 121 -15.770 -10.272 -18.706 1.00 1.52 C ATOM 1877 O ASP A 121 -16.111 -11.238 -18.025 1.00 72.44 O ATOM 1878 CB ASP A 121 -16.359 -7.862 -19.035 1.00 64.12 C ATOM 1879 CG ASP A 121 -17.676 -7.344 -18.492 1.00 41.13 C ATOM 1880 OD1 ASP A 121 -17.879 -7.413 -17.262 1.00 11.32 O ATOM 1881 OD2 ASP A 121 -18.503 -6.869 -19.298 1.00 12.32 O ATOM 0 H ASP A 121 -13.815 -8.133 -18.647 1.00 3.04 H new ATOM 0 HA ASP A 121 -16.234 -8.882 -17.149 1.00 33.33 H new ATOM 0 HB2 ASP A 121 -15.681 -7.024 -19.196 1.00 64.12 H new ATOM 0 HB3 ASP A 121 -16.528 -8.327 -20.006 1.00 64.12 H new ATOM 1886 N ALA A 122 -15.447 -10.369 -19.991 1.00 61.22 N ATOM 1887 CA ALA A 122 -15.474 -11.648 -20.691 1.00 3.24 C ATOM 1888 C ALA A 122 -14.881 -11.521 -22.090 1.00 54.40 C ATOM 1889 O ALA A 122 -14.927 -10.452 -22.699 1.00 12.20 O ATOM 1890 CB ALA A 122 -16.897 -12.179 -20.764 1.00 74.42 C ATOM 0 H ALA A 122 -15.164 -9.578 -20.569 1.00 61.22 H new ATOM 0 HA ALA A 122 -14.863 -12.355 -20.130 1.00 3.24 H new ATOM 0 HB1 ALA A 122 -16.902 -13.134 -21.289 1.00 74.42 H new ATOM 0 HB2 ALA A 122 -17.286 -12.317 -19.755 1.00 74.42 H new ATOM 0 HB3 ALA A 122 -17.524 -11.467 -21.300 1.00 74.42 H new ATOM 1896 N SER A 123 -14.325 -12.617 -22.594 1.00 71.41 N ATOM 1897 CA SER A 123 -13.719 -12.627 -23.921 1.00 13.15 C ATOM 1898 C SER A 123 -14.776 -12.849 -24.999 1.00 23.14 C ATOM 1899 O SER A 123 -15.622 -13.736 -24.882 1.00 3.22 O ATOM 1900 CB SER A 123 -12.649 -13.716 -24.008 1.00 25.24 C ATOM 1901 OG SER A 123 -13.133 -14.949 -23.505 1.00 75.33 O ATOM 0 H SER A 123 -14.281 -13.510 -22.104 1.00 71.41 H new ATOM 0 HA SER A 123 -13.253 -11.656 -24.088 1.00 13.15 H new ATOM 0 HB2 SER A 123 -12.336 -13.840 -25.045 1.00 25.24 H new ATOM 0 HB3 SER A 123 -11.768 -13.410 -23.444 1.00 25.24 H new ATOM 0 HG SER A 123 -12.430 -15.629 -23.574 1.00 75.33 H new ATOM 1907 N VAL A 124 -14.720 -12.036 -26.049 1.00 72.51 N ATOM 1908 CA VAL A 124 -15.671 -12.144 -27.150 1.00 4.54 C ATOM 1909 C VAL A 124 -15.163 -13.100 -28.223 1.00 33.12 C ATOM 1910 O VAL A 124 -14.041 -13.598 -28.143 1.00 60.12 O ATOM 1911 CB VAL A 124 -15.945 -10.770 -27.790 1.00 1.21 C ATOM 1912 CG1 VAL A 124 -17.429 -10.601 -28.076 1.00 52.15 C ATOM 1913 CG2 VAL A 124 -15.436 -9.653 -26.891 1.00 55.44 C ATOM 0 H VAL A 124 -14.027 -11.296 -26.161 1.00 72.51 H new ATOM 0 HA VAL A 124 -16.599 -12.533 -26.731 1.00 4.54 H new ATOM 0 HB VAL A 124 -15.409 -10.716 -28.737 1.00 1.21 H new ATOM 0 HG11 VAL A 124 -17.604 -9.625 -28.528 1.00 52.15 H new ATOM 0 HG12 VAL A 124 -17.759 -11.382 -28.761 1.00 52.15 H new ATOM 0 HG13 VAL A 124 -17.990 -10.675 -27.144 1.00 52.15 H new ATOM 0 HG21 VAL A 124 -15.638 -8.689 -27.358 1.00 55.44 H new ATOM 0 HG22 VAL A 124 -15.943 -9.702 -25.927 1.00 55.44 H new ATOM 0 HG23 VAL A 124 -14.362 -9.766 -26.742 1.00 55.44 H new ATOM 1923 N GLU A 125 -15.998 -13.352 -29.226 1.00 52.42 N ATOM 1924 CA GLU A 125 -15.633 -14.249 -30.316 1.00 34.42 C ATOM 1925 C GLU A 125 -15.138 -13.463 -31.526 1.00 53.12 C ATOM 1926 O GLU A 125 -13.978 -13.577 -31.921 1.00 41.35 O ATOM 1927 CB GLU A 125 -16.829 -15.118 -30.713 1.00 20.04 C ATOM 1928 CG GLU A 125 -16.549 -16.039 -31.889 1.00 1.45 C ATOM 1929 CD GLU A 125 -17.807 -16.685 -32.436 1.00 43.52 C ATOM 1930 OE1 GLU A 125 -18.550 -16.005 -33.175 1.00 22.32 O ATOM 1931 OE2 GLU A 125 -18.047 -17.870 -32.126 1.00 33.11 O ATOM 0 H GLU A 125 -16.931 -12.948 -29.306 1.00 52.42 H new ATOM 0 HA GLU A 125 -14.825 -14.892 -29.967 1.00 34.42 H new ATOM 0 HB2 GLU A 125 -17.131 -15.719 -29.855 1.00 20.04 H new ATOM 0 HB3 GLU A 125 -17.671 -14.471 -30.961 1.00 20.04 H new ATOM 0 HG2 GLU A 125 -16.062 -15.472 -32.682 1.00 1.45 H new ATOM 0 HG3 GLU A 125 -15.851 -16.817 -31.579 1.00 1.45 H new