USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 906 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 130 GLN : amide:sc= -0.279 X(o=-0.66,f=-0.38) USER MOD Set 1.2: A 135 TYR OH : rot 180:sc= -0.377 USER MOD Set 2.1: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 79 MET CE :methyl -177:sc= -0.877 (180deg=-0.903) USER MOD Set 3.1: A 65 LYS NZ :NH3+ 156:sc= 2.21 (180deg=-0.802!) USER MOD Set 3.2: A 71 SER OG : rot -122:sc= 1.41 USER MOD Set 4.1: A 55 GLN : amide:sc= 0.845 K(o=1.2,f=0.5) USER MOD Set 4.2: A 123 TYR OH : rot -122:sc= 0.812 USER MOD Set 4.3: A 127 ASN : amide:sc= -0.424 X(o=1.2,f=1.6) USER MOD Set 5.1: A 37 CYS SG : rot 59:sc= 0.408 USER MOD Set 5.2: A 41 MET CE :methyl -132:sc= -0.222 (180deg=-0.487) USER MOD Set 6.1: A 31 LYS NZ :NH3+ 153:sc= 2.22 (180deg=1.06) USER MOD Set 6.2: A 61 ASN : amide:sc= 0.422 K(o=2.4,f=-11!) USER MOD Set 6.3: A 64 THR OG1 : rot 30:sc= 0.0864 USER MOD Set 6.4: A 68 ASN : amide:sc= -0.298 K(o=2.4,f=-1.4!) USER MOD Single : A 7 THR OG1 : rot -167:sc= -0.981! USER MOD Single : A 10 GLN : amide:sc= -0.975 K(o=-0.98,f=-2.3!) USER MOD Single : A 11 MET CE :methyl -156:sc= -0.135 (180deg=-0.412) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 15 LYS NZ :NH3+ -166:sc= 1.16 (180deg=0.659) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 17 SER OG : rot 76:sc= 0.232 USER MOD Single : A 24 ASN : amide:sc= 0.413 K(o=0.41,f=-0.11) USER MOD Single : A 25 HIS : no HE2:sc= 0.603 K(o=0.6,f=-1.9!) USER MOD Single : A 36 SER OG : rot 156:sc= 1.77 USER MOD Single : A 39 SER OG : rot -85:sc= 1.21 USER MOD Single : A 40 SER OG : rot -20:sc= 0.193 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0243 USER MOD Single : A 56 TYR OH : rot 82:sc= 0.695 USER MOD Single : A 60 TYR OH : rot 110:sc= -0.636 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 74 ASN : amide:sc= -2.35 K(o=-2.4,f=-7.8!) USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 78 TYR OH : rot 150:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -177:sc= 0.523 (180deg=0.486) USER MOD Single : A 82 LYS NZ :NH3+ -145:sc= 0.818 (180deg=0.264) USER MOD Single : A 83 ASN : amide:sc= -0.374 X(o=-0.37,f=0) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 SER OG : rot 119:sc= 1.32 USER MOD Single : A 98 THR OG1 : rot 69:sc= 0.641 USER MOD Single : A 103 LYS NZ :NH3+ 168:sc= 0.522 (180deg=0.378) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.22 USER MOD Single : A 109 THR OG1 : rot -25:sc= 1.25 USER MOD Single : A 111 MET CE :methyl -168:sc= -0.66 (180deg=-1.21) USER MOD Single : A 112 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.74) USER MOD Single : A 113 LYS NZ :NH3+ 138:sc= 2.07 (180deg=-0.495) USER MOD Single : A 116 MET CE :methyl -173:sc= -0.671 (180deg=-0.799) USER MOD Single : A 117 SER OG : rot -147:sc= 1.18 USER MOD Single : A 120 GLN : amide:sc= 0.696 K(o=0.7,f=-5.2!) USER MOD Single : A 125 LYS NZ :NH3+ 177:sc= 0.58 (180deg=0.31) USER MOD Single : A 137 TYR OH : rot -149:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 40 N GLY A 5 -11.179 16.679 7.634 1.00 24.41 N ATOM 41 CA GLY A 5 -10.281 15.991 6.729 1.00 72.24 C ATOM 42 C GLY A 5 -10.885 15.748 5.363 1.00 22.33 C ATOM 43 O GLY A 5 -10.477 16.350 4.379 1.00 43.03 O ATOM 0 HA2 GLY A 5 -9.369 16.577 6.617 1.00 72.24 H new ATOM 0 HA3 GLY A 5 -9.994 15.035 7.168 1.00 72.24 H new ATOM 47 N VAL A 6 -11.855 14.886 5.312 1.00 31.40 N ATOM 48 CA VAL A 6 -12.483 14.519 4.077 1.00 33.11 C ATOM 49 C VAL A 6 -13.838 15.166 3.928 1.00 62.40 C ATOM 50 O VAL A 6 -14.685 15.110 4.814 1.00 32.31 O ATOM 51 CB VAL A 6 -12.546 12.982 3.882 1.00 30.41 C ATOM 52 CG1 VAL A 6 -13.093 12.280 5.115 1.00 72.11 C ATOM 53 CG2 VAL A 6 -13.346 12.590 2.639 1.00 75.45 C ATOM 0 H VAL A 6 -12.236 14.414 6.132 1.00 31.40 H new ATOM 0 HA VAL A 6 -11.853 14.905 3.275 1.00 33.11 H new ATOM 0 HB VAL A 6 -11.519 12.649 3.731 1.00 30.41 H new ATOM 0 HG11 VAL A 6 -13.122 11.205 4.939 1.00 72.11 H new ATOM 0 HG12 VAL A 6 -12.450 12.491 5.969 1.00 72.11 H new ATOM 0 HG13 VAL A 6 -14.101 12.641 5.322 1.00 72.11 H new ATOM 0 HG21 VAL A 6 -13.362 11.504 2.544 1.00 75.45 H new ATOM 0 HG22 VAL A 6 -14.367 12.962 2.731 1.00 75.45 H new ATOM 0 HG23 VAL A 6 -12.880 13.024 1.755 1.00 75.45 H new ATOM 63 N THR A 7 -14.001 15.785 2.819 1.00 43.25 N ATOM 64 CA THR A 7 -15.187 16.484 2.456 1.00 3.14 C ATOM 65 C THR A 7 -16.308 15.499 2.004 1.00 33.11 C ATOM 66 O THR A 7 -16.036 14.426 1.418 1.00 21.51 O ATOM 67 CB THR A 7 -14.840 17.541 1.348 1.00 62.12 C ATOM 68 OG1 THR A 7 -16.013 18.173 0.835 1.00 52.42 O ATOM 69 CG2 THR A 7 -14.015 16.921 0.215 1.00 72.44 C ATOM 0 H THR A 7 -13.278 15.823 2.100 1.00 43.25 H new ATOM 0 HA THR A 7 -15.580 17.011 3.325 1.00 3.14 H new ATOM 0 HB THR A 7 -14.230 18.309 1.823 1.00 62.12 H new ATOM 0 HG1 THR A 7 -15.788 18.668 0.020 1.00 52.42 H new ATOM 0 HG21 THR A 7 -13.794 17.682 -0.533 1.00 72.44 H new ATOM 0 HG22 THR A 7 -13.082 16.527 0.618 1.00 72.44 H new ATOM 0 HG23 THR A 7 -14.581 16.112 -0.247 1.00 72.44 H new ATOM 77 N ALA A 8 -17.569 15.868 2.283 1.00 11.51 N ATOM 78 CA ALA A 8 -18.749 15.059 1.904 1.00 63.23 C ATOM 79 C ALA A 8 -18.856 14.988 0.383 1.00 32.31 C ATOM 80 O ALA A 8 -19.446 14.085 -0.183 1.00 2.12 O ATOM 81 CB ALA A 8 -20.013 15.658 2.503 1.00 74.42 C ATOM 0 H ALA A 8 -17.803 16.730 2.775 1.00 11.51 H new ATOM 0 HA ALA A 8 -18.632 14.049 2.296 1.00 63.23 H new ATOM 0 HB1 ALA A 8 -20.873 15.053 2.216 1.00 74.42 H new ATOM 0 HB2 ALA A 8 -19.928 15.676 3.590 1.00 74.42 H new ATOM 0 HB3 ALA A 8 -20.145 16.675 2.133 1.00 74.42 H new ATOM 87 N GLU A 9 -18.252 15.957 -0.227 1.00 21.25 N ATOM 88 CA GLU A 9 -18.083 16.089 -1.650 1.00 0.31 C ATOM 89 C GLU A 9 -17.256 14.889 -2.159 1.00 72.23 C ATOM 90 O GLU A 9 -17.679 14.151 -3.072 1.00 73.11 O ATOM 91 CB GLU A 9 -17.352 17.392 -1.773 1.00 13.02 C ATOM 92 CG GLU A 9 -16.811 17.840 -3.081 1.00 73.43 C ATOM 93 CD GLU A 9 -16.095 19.145 -2.832 1.00 23.12 C ATOM 94 OE1 GLU A 9 -15.407 19.242 -1.752 1.00 61.12 O ATOM 95 OE2 GLU A 9 -16.277 20.095 -3.609 1.00 30.41 O ATOM 0 H GLU A 9 -17.833 16.733 0.286 1.00 21.25 H new ATOM 0 HA GLU A 9 -19.002 16.089 -2.236 1.00 0.31 H new ATOM 0 HB2 GLU A 9 -18.027 18.172 -1.422 1.00 13.02 H new ATOM 0 HB3 GLU A 9 -16.515 17.357 -1.076 1.00 13.02 H new ATOM 0 HG2 GLU A 9 -16.128 17.097 -3.492 1.00 73.43 H new ATOM 0 HG3 GLU A 9 -17.613 17.972 -3.807 1.00 73.43 H new ATOM 102 N GLN A 10 -16.134 14.620 -1.476 1.00 21.24 N ATOM 103 CA GLN A 10 -15.301 13.478 -1.826 1.00 23.45 C ATOM 104 C GLN A 10 -16.083 12.254 -1.592 1.00 1.20 C ATOM 105 O GLN A 10 -15.990 11.300 -2.331 1.00 74.14 O ATOM 106 CB GLN A 10 -14.085 13.310 -0.962 1.00 4.41 C ATOM 107 CG GLN A 10 -13.142 12.323 -1.588 1.00 51.40 C ATOM 108 CD GLN A 10 -11.924 12.015 -0.739 1.00 3.34 C ATOM 109 OE1 GLN A 10 -11.459 12.836 0.039 1.00 72.41 O ATOM 110 NE2 GLN A 10 -11.391 10.830 -0.886 1.00 34.32 N ATOM 0 H GLN A 10 -15.792 15.173 -0.690 1.00 21.24 H new ATOM 0 HA GLN A 10 -14.991 13.647 -2.857 1.00 23.45 H new ATOM 0 HB2 GLN A 10 -13.586 14.270 -0.832 1.00 4.41 H new ATOM 0 HB3 GLN A 10 -14.378 12.966 0.030 1.00 4.41 H new ATOM 0 HG2 GLN A 10 -13.680 11.396 -1.785 1.00 51.40 H new ATOM 0 HG3 GLN A 10 -12.812 12.711 -2.552 1.00 51.40 H new ATOM 0 HE21 GLN A 10 -11.800 10.165 -1.542 1.00 34.32 H new ATOM 0 HE22 GLN A 10 -10.566 10.571 -0.344 1.00 34.32 H new ATOM 119 N MET A 11 -16.856 12.281 -0.528 1.00 4.43 N ATOM 120 CA MET A 11 -17.686 11.152 -0.162 1.00 22.25 C ATOM 121 C MET A 11 -18.672 10.788 -1.269 1.00 11.41 C ATOM 122 O MET A 11 -19.202 9.697 -1.288 1.00 52.54 O ATOM 123 CB MET A 11 -18.374 11.349 1.186 1.00 74.42 C ATOM 124 CG MET A 11 -17.396 11.497 2.334 1.00 64.42 C ATOM 125 SD MET A 11 -18.184 11.802 3.914 1.00 2.44 S ATOM 126 CE MET A 11 -16.733 11.930 4.952 1.00 64.24 C ATOM 0 H MET A 11 -16.928 13.079 0.104 1.00 4.43 H new ATOM 0 HA MET A 11 -17.019 10.298 -0.041 1.00 22.25 H new ATOM 0 HB2 MET A 11 -19.007 12.235 1.139 1.00 74.42 H new ATOM 0 HB3 MET A 11 -19.029 10.500 1.381 1.00 74.42 H new ATOM 0 HG2 MET A 11 -16.794 10.591 2.407 1.00 64.42 H new ATOM 0 HG3 MET A 11 -16.712 12.317 2.114 1.00 64.42 H new ATOM 0 HE1 MET A 11 -17.001 11.695 5.982 1.00 64.24 H new ATOM 0 HE2 MET A 11 -15.975 11.228 4.605 1.00 64.24 H new ATOM 0 HE3 MET A 11 -16.338 12.945 4.902 1.00 64.24 H new ATOM 136 N GLN A 12 -18.913 11.719 -2.172 1.00 1.25 N ATOM 137 CA GLN A 12 -19.704 11.460 -3.331 1.00 33.23 C ATOM 138 C GLN A 12 -18.793 10.996 -4.488 1.00 0.22 C ATOM 139 O GLN A 12 -19.141 10.063 -5.215 1.00 73.42 O ATOM 140 CB GLN A 12 -20.500 12.709 -3.725 1.00 44.23 C ATOM 141 CG GLN A 12 -21.385 12.530 -4.949 1.00 64.00 C ATOM 142 CD GLN A 12 -22.167 13.780 -5.295 1.00 11.20 C ATOM 143 OE1 GLN A 12 -21.736 14.892 -5.043 1.00 13.10 O ATOM 144 NE2 GLN A 12 -23.323 13.605 -5.882 1.00 72.22 N ATOM 0 H GLN A 12 -18.559 12.674 -2.111 1.00 1.25 H new ATOM 0 HA GLN A 12 -20.417 10.666 -3.109 1.00 33.23 H new ATOM 0 HB2 GLN A 12 -21.123 13.009 -2.882 1.00 44.23 H new ATOM 0 HB3 GLN A 12 -19.802 13.525 -3.912 1.00 44.23 H new ATOM 0 HG2 GLN A 12 -20.767 12.246 -5.801 1.00 64.00 H new ATOM 0 HG3 GLN A 12 -22.080 11.709 -4.772 1.00 64.00 H new ATOM 0 HE21 GLN A 12 -23.657 12.662 -6.080 1.00 72.22 H new ATOM 0 HE22 GLN A 12 -23.890 14.412 -6.142 1.00 72.22 H new ATOM 153 N GLU A 13 -17.588 11.599 -4.609 1.00 0.10 N ATOM 154 CA GLU A 13 -16.682 11.276 -5.732 1.00 33.32 C ATOM 155 C GLU A 13 -16.110 9.870 -5.573 1.00 52.03 C ATOM 156 O GLU A 13 -16.367 8.944 -6.391 1.00 4.23 O ATOM 157 CB GLU A 13 -15.492 12.220 -5.745 1.00 31.14 C ATOM 158 CG GLU A 13 -15.803 13.688 -5.769 1.00 51.00 C ATOM 159 CD GLU A 13 -14.531 14.482 -5.669 1.00 23.44 C ATOM 160 OE1 GLU A 13 -13.950 14.514 -4.558 1.00 31.42 O ATOM 161 OE2 GLU A 13 -14.086 15.028 -6.694 1.00 3.02 O ATOM 0 H GLU A 13 -17.227 12.296 -3.958 1.00 0.10 H new ATOM 0 HA GLU A 13 -17.266 11.363 -6.648 1.00 33.32 H new ATOM 0 HB2 GLU A 13 -14.884 12.014 -4.864 1.00 31.14 H new ATOM 0 HB3 GLU A 13 -14.880 11.986 -6.617 1.00 31.14 H new ATOM 0 HG2 GLU A 13 -16.329 13.942 -6.689 1.00 51.00 H new ATOM 0 HG3 GLU A 13 -16.466 13.942 -4.942 1.00 51.00 H new ATOM 168 N PHE A 14 -15.427 9.695 -4.441 1.00 64.15 N ATOM 169 CA PHE A 14 -14.635 8.524 -4.141 1.00 3.13 C ATOM 170 C PHE A 14 -15.533 7.357 -4.071 1.00 53.53 C ATOM 171 O PHE A 14 -15.149 6.236 -4.416 1.00 20.34 O ATOM 172 CB PHE A 14 -13.799 8.723 -2.823 1.00 43.32 C ATOM 173 CG PHE A 14 -14.431 8.232 -1.583 1.00 12.34 C ATOM 174 CD1 PHE A 14 -14.464 6.911 -1.358 1.00 21.43 C ATOM 175 CD2 PHE A 14 -15.006 9.060 -0.686 1.00 75.44 C ATOM 176 CE1 PHE A 14 -15.041 6.390 -0.303 1.00 14.25 C ATOM 177 CE2 PHE A 14 -15.619 8.555 0.414 1.00 61.12 C ATOM 178 CZ PHE A 14 -15.648 7.200 0.622 1.00 65.24 C ATOM 0 H PHE A 14 -15.416 10.389 -3.693 1.00 64.15 H new ATOM 0 HA PHE A 14 -13.904 8.355 -4.932 1.00 3.13 H new ATOM 0 HB2 PHE A 14 -12.840 8.220 -2.944 1.00 43.32 H new ATOM 0 HB3 PHE A 14 -13.589 9.786 -2.705 1.00 43.32 H new ATOM 0 HD1 PHE A 14 -13.997 6.251 -2.074 1.00 21.43 H new ATOM 0 HD2 PHE A 14 -14.978 10.128 -0.844 1.00 75.44 H new ATOM 0 HE1 PHE A 14 -15.038 5.319 -0.162 1.00 14.25 H new ATOM 0 HE2 PHE A 14 -16.084 9.221 1.126 1.00 61.12 H new ATOM 0 HZ PHE A 14 -16.136 6.782 1.490 1.00 65.24 H new ATOM 188 N LYS A 15 -16.743 7.635 -3.645 1.00 45.11 N ATOM 189 CA LYS A 15 -17.719 6.653 -3.528 1.00 41.34 C ATOM 190 C LYS A 15 -18.013 6.080 -4.882 1.00 13.20 C ATOM 191 O LYS A 15 -17.885 4.911 -5.055 1.00 5.31 O ATOM 192 CB LYS A 15 -18.970 7.194 -2.895 1.00 74.14 C ATOM 193 CG LYS A 15 -20.036 6.126 -2.728 1.00 2.32 C ATOM 194 CD LYS A 15 -21.388 6.653 -2.318 1.00 53.13 C ATOM 195 CE LYS A 15 -22.341 5.487 -2.027 1.00 11.40 C ATOM 196 NZ LYS A 15 -22.400 4.498 -3.135 1.00 72.22 N ATOM 0 H LYS A 15 -17.051 8.569 -3.374 1.00 45.11 H new ATOM 0 HA LYS A 15 -17.343 5.864 -2.876 1.00 41.34 H new ATOM 0 HB2 LYS A 15 -18.728 7.619 -1.921 1.00 74.14 H new ATOM 0 HB3 LYS A 15 -19.364 8.005 -3.507 1.00 74.14 H new ATOM 0 HG2 LYS A 15 -20.141 5.584 -3.668 1.00 2.32 H new ATOM 0 HG3 LYS A 15 -19.698 5.407 -1.982 1.00 2.32 H new ATOM 0 HD2 LYS A 15 -21.289 7.282 -1.433 1.00 53.13 H new ATOM 0 HD3 LYS A 15 -21.798 7.280 -3.110 1.00 53.13 H new ATOM 0 HE2 LYS A 15 -22.023 4.984 -1.114 1.00 11.40 H new ATOM 0 HE3 LYS A 15 -23.341 5.879 -1.843 1.00 11.40 H new ATOM 0 HZ1 LYS A 15 -23.218 3.871 -2.997 1.00 72.22 H new ATOM 0 HZ2 LYS A 15 -22.496 4.998 -4.042 1.00 72.22 H new ATOM 0 HZ3 LYS A 15 -21.527 3.932 -3.142 1.00 72.22 H new ATOM 210 N GLN A 16 -18.256 6.943 -5.873 1.00 22.32 N ATOM 211 CA GLN A 16 -18.640 6.480 -7.204 1.00 12.41 C ATOM 212 C GLN A 16 -17.492 5.678 -7.808 1.00 71.44 C ATOM 213 O GLN A 16 -17.694 4.624 -8.476 1.00 54.10 O ATOM 214 CB GLN A 16 -18.979 7.675 -8.097 1.00 30.33 C ATOM 215 CG GLN A 16 -19.435 7.296 -9.496 1.00 51.32 C ATOM 216 CD GLN A 16 -19.711 8.500 -10.367 1.00 43.51 C ATOM 217 OE1 GLN A 16 -19.102 9.547 -10.214 1.00 54.42 O ATOM 218 NE2 GLN A 16 -20.629 8.361 -11.286 1.00 53.33 N ATOM 0 H GLN A 16 -18.194 7.957 -5.778 1.00 22.32 H new ATOM 0 HA GLN A 16 -19.522 5.844 -7.128 1.00 12.41 H new ATOM 0 HB2 GLN A 16 -19.763 8.262 -7.618 1.00 30.33 H new ATOM 0 HB3 GLN A 16 -18.102 8.317 -8.174 1.00 30.33 H new ATOM 0 HG2 GLN A 16 -18.670 6.679 -9.968 1.00 51.32 H new ATOM 0 HG3 GLN A 16 -20.337 6.688 -9.427 1.00 51.32 H new ATOM 0 HE21 GLN A 16 -21.119 7.472 -11.387 1.00 53.33 H new ATOM 0 HE22 GLN A 16 -20.856 9.141 -11.903 1.00 53.33 H new ATOM 227 N SER A 17 -16.288 6.151 -7.516 1.00 54.21 N ATOM 228 CA SER A 17 -15.082 5.521 -7.976 1.00 11.15 C ATOM 229 C SER A 17 -14.972 4.085 -7.442 1.00 23.00 C ATOM 230 O SER A 17 -14.626 3.169 -8.192 1.00 41.21 O ATOM 231 CB SER A 17 -13.882 6.336 -7.541 1.00 3.43 C ATOM 232 OG SER A 17 -14.030 7.696 -7.930 1.00 52.14 O ATOM 0 H SER A 17 -16.132 6.986 -6.951 1.00 54.21 H new ATOM 0 HA SER A 17 -15.110 5.473 -9.065 1.00 11.15 H new ATOM 0 HB2 SER A 17 -13.766 6.273 -6.459 1.00 3.43 H new ATOM 0 HB3 SER A 17 -12.976 5.923 -7.983 1.00 3.43 H new ATOM 0 HG SER A 17 -14.667 8.140 -7.332 1.00 52.14 H new ATOM 238 N PHE A 18 -15.274 3.880 -6.157 1.00 2.31 N ATOM 239 CA PHE A 18 -15.199 2.549 -5.621 1.00 1.40 C ATOM 240 C PHE A 18 -16.450 1.759 -5.992 1.00 74.14 C ATOM 241 O PHE A 18 -16.370 0.571 -6.247 1.00 73.30 O ATOM 242 CB PHE A 18 -14.944 2.525 -4.097 1.00 12.33 C ATOM 243 CG PHE A 18 -16.125 2.671 -3.156 1.00 32.44 C ATOM 244 CD1 PHE A 18 -17.037 1.632 -2.997 1.00 43.42 C ATOM 245 CD2 PHE A 18 -16.299 3.806 -2.412 1.00 50.25 C ATOM 246 CE1 PHE A 18 -18.083 1.734 -2.141 1.00 73.13 C ATOM 247 CE2 PHE A 18 -17.357 3.909 -1.537 1.00 63.12 C ATOM 248 CZ PHE A 18 -18.246 2.867 -1.411 1.00 64.34 C ATOM 0 H PHE A 18 -15.562 4.604 -5.499 1.00 2.31 H new ATOM 0 HA PHE A 18 -14.332 2.068 -6.074 1.00 1.40 H new ATOM 0 HB2 PHE A 18 -14.448 1.584 -3.860 1.00 12.33 H new ATOM 0 HB3 PHE A 18 -14.239 3.324 -3.868 1.00 12.33 H new ATOM 0 HD1 PHE A 18 -16.909 0.724 -3.568 1.00 43.42 H new ATOM 0 HD2 PHE A 18 -15.603 4.626 -2.512 1.00 50.25 H new ATOM 0 HE1 PHE A 18 -18.783 0.918 -2.040 1.00 73.13 H new ATOM 0 HE2 PHE A 18 -17.489 4.806 -0.951 1.00 63.12 H new ATOM 0 HZ PHE A 18 -19.078 2.951 -0.728 1.00 64.34 H new ATOM 258 N ASP A 19 -17.600 2.472 -6.019 1.00 21.21 N ATOM 259 CA ASP A 19 -18.951 1.942 -6.345 1.00 74.44 C ATOM 260 C ASP A 19 -18.912 1.101 -7.557 1.00 3.04 C ATOM 261 O ASP A 19 -19.459 0.003 -7.579 1.00 70.33 O ATOM 262 CB ASP A 19 -19.931 3.081 -6.639 1.00 53.10 C ATOM 263 CG ASP A 19 -20.600 3.734 -5.433 1.00 50.14 C ATOM 264 OD1 ASP A 19 -20.271 3.412 -4.271 1.00 23.35 O ATOM 265 OD2 ASP A 19 -21.490 4.599 -5.622 1.00 64.43 O ATOM 0 H ASP A 19 -17.616 3.470 -5.807 1.00 21.21 H new ATOM 0 HA ASP A 19 -19.272 1.364 -5.479 1.00 74.44 H new ATOM 0 HB2 ASP A 19 -19.399 3.854 -7.194 1.00 53.10 H new ATOM 0 HB3 ASP A 19 -20.712 2.698 -7.296 1.00 53.10 H new ATOM 270 N ALA A 20 -18.256 1.633 -8.582 1.00 65.33 N ATOM 271 CA ALA A 20 -18.096 0.943 -9.851 1.00 43.34 C ATOM 272 C ALA A 20 -17.535 -0.482 -9.665 1.00 52.52 C ATOM 273 O ALA A 20 -17.900 -1.399 -10.388 1.00 13.12 O ATOM 274 CB ALA A 20 -17.176 1.757 -10.754 1.00 4.31 C ATOM 0 H ALA A 20 -17.821 2.555 -8.554 1.00 65.33 H new ATOM 0 HA ALA A 20 -19.079 0.845 -10.312 1.00 43.34 H new ATOM 0 HB1 ALA A 20 -17.053 1.243 -11.707 1.00 4.31 H new ATOM 0 HB2 ALA A 20 -17.612 2.741 -10.926 1.00 4.31 H new ATOM 0 HB3 ALA A 20 -16.203 1.870 -10.275 1.00 4.31 H new ATOM 280 N PHE A 21 -16.651 -0.634 -8.703 1.00 4.55 N ATOM 281 CA PHE A 21 -15.988 -1.893 -8.440 1.00 4.22 C ATOM 282 C PHE A 21 -16.553 -2.652 -7.221 1.00 63.12 C ATOM 283 O PHE A 21 -15.943 -3.608 -6.780 1.00 40.02 O ATOM 284 CB PHE A 21 -14.488 -1.669 -8.280 1.00 74.41 C ATOM 285 CG PHE A 21 -13.846 -1.044 -9.485 1.00 52.43 C ATOM 286 CD1 PHE A 21 -13.597 -1.795 -10.619 1.00 34.15 C ATOM 287 CD2 PHE A 21 -13.503 0.299 -9.488 1.00 72.42 C ATOM 288 CE1 PHE A 21 -13.018 -1.222 -11.730 1.00 3.24 C ATOM 289 CE2 PHE A 21 -12.923 0.878 -10.596 1.00 12.13 C ATOM 290 CZ PHE A 21 -12.678 0.117 -11.719 1.00 34.30 C ATOM 0 H PHE A 21 -16.370 0.119 -8.076 1.00 4.55 H new ATOM 0 HA PHE A 21 -16.181 -2.529 -9.304 1.00 4.22 H new ATOM 0 HB2 PHE A 21 -14.314 -1.032 -7.413 1.00 74.41 H new ATOM 0 HB3 PHE A 21 -14.005 -2.625 -8.075 1.00 74.41 H new ATOM 0 HD1 PHE A 21 -13.859 -2.843 -10.634 1.00 34.15 H new ATOM 0 HD2 PHE A 21 -13.693 0.899 -8.611 1.00 72.42 H new ATOM 0 HE1 PHE A 21 -12.830 -1.820 -12.610 1.00 3.24 H new ATOM 0 HE2 PHE A 21 -12.661 1.926 -10.584 1.00 12.13 H new ATOM 0 HZ PHE A 21 -12.221 0.567 -12.588 1.00 34.30 H new ATOM 300 N ASP A 22 -17.678 -2.224 -6.663 1.00 63.31 N ATOM 301 CA ASP A 22 -18.235 -2.935 -5.491 1.00 70.15 C ATOM 302 C ASP A 22 -19.646 -3.413 -5.776 1.00 2.15 C ATOM 303 O ASP A 22 -20.398 -2.765 -6.516 1.00 43.44 O ATOM 304 CB ASP A 22 -18.198 -2.092 -4.193 1.00 54.21 C ATOM 305 CG ASP A 22 -18.687 -2.877 -2.956 1.00 54.31 C ATOM 306 OD1 ASP A 22 -19.919 -2.957 -2.734 1.00 24.55 O ATOM 307 OD2 ASP A 22 -17.855 -3.429 -2.221 1.00 31.45 O ATOM 0 H ASP A 22 -18.216 -1.418 -6.980 1.00 63.31 H new ATOM 0 HA ASP A 22 -17.591 -3.798 -5.319 1.00 70.15 H new ATOM 0 HB2 ASP A 22 -17.179 -1.746 -4.019 1.00 54.21 H new ATOM 0 HB3 ASP A 22 -18.818 -1.205 -4.323 1.00 54.21 H new ATOM 312 N GLY A 23 -20.005 -4.522 -5.168 1.00 24.51 N ATOM 313 CA GLY A 23 -21.268 -5.154 -5.420 1.00 12.45 C ATOM 314 C GLY A 23 -22.476 -4.482 -4.776 1.00 21.32 C ATOM 315 O GLY A 23 -23.552 -4.493 -5.366 1.00 63.04 O ATOM 0 H GLY A 23 -19.424 -5.007 -4.485 1.00 24.51 H new ATOM 0 HA2 GLY A 23 -21.427 -5.193 -6.498 1.00 12.45 H new ATOM 0 HA3 GLY A 23 -21.216 -6.184 -5.068 1.00 12.45 H new ATOM 319 N ASN A 24 -22.332 -3.913 -3.584 1.00 32.43 N ATOM 320 CA ASN A 24 -23.524 -3.349 -2.914 1.00 12.15 C ATOM 321 C ASN A 24 -23.344 -1.849 -2.642 1.00 72.34 C ATOM 322 O ASN A 24 -24.314 -1.105 -2.537 1.00 43.23 O ATOM 323 CB ASN A 24 -23.831 -4.134 -1.618 1.00 44.05 C ATOM 324 CG ASN A 24 -25.239 -3.890 -1.076 1.00 32.53 C ATOM 325 OD1 ASN A 24 -26.192 -4.566 -1.480 1.00 21.11 O ATOM 326 ND2 ASN A 24 -25.376 -3.015 -0.130 1.00 50.44 N ATOM 0 H ASN A 24 -21.454 -3.826 -3.073 1.00 32.43 H new ATOM 0 HA ASN A 24 -24.381 -3.453 -3.579 1.00 12.15 H new ATOM 0 HB2 ASN A 24 -23.704 -5.199 -1.809 1.00 44.05 H new ATOM 0 HB3 ASN A 24 -23.104 -3.858 -0.855 1.00 44.05 H new ATOM 0 HD21 ASN A 24 -26.289 -2.870 0.302 1.00 50.44 H new ATOM 0 HD22 ASN A 24 -24.571 -2.472 0.183 1.00 50.44 H new ATOM 333 N HIS A 25 -22.077 -1.429 -2.603 1.00 33.05 N ATOM 334 CA HIS A 25 -21.628 -0.032 -2.507 1.00 1.00 C ATOM 335 C HIS A 25 -22.465 0.934 -1.625 1.00 21.20 C ATOM 336 O HIS A 25 -22.964 1.986 -2.090 1.00 70.35 O ATOM 337 CB HIS A 25 -21.266 0.553 -3.888 1.00 70.03 C ATOM 338 CG HIS A 25 -22.316 0.417 -4.964 1.00 72.14 C ATOM 339 ND1 HIS A 25 -22.226 -0.477 -6.013 1.00 53.25 N ATOM 340 CD2 HIS A 25 -23.474 1.096 -5.156 1.00 21.33 C ATOM 341 CE1 HIS A 25 -23.298 -0.318 -6.783 1.00 40.43 C ATOM 342 NE2 HIS A 25 -24.094 0.627 -6.309 1.00 64.02 N ATOM 0 H HIS A 25 -21.296 -2.084 -2.639 1.00 33.05 H new ATOM 0 HA HIS A 25 -20.714 -0.109 -1.919 1.00 1.00 H new ATOM 0 HB2 HIS A 25 -21.038 1.612 -3.763 1.00 70.03 H new ATOM 0 HB3 HIS A 25 -20.353 0.070 -4.237 1.00 70.03 H new ATOM 0 HD1 HIS A 25 -21.469 -1.143 -6.170 1.00 53.25 H new ATOM 0 HD2 HIS A 25 -23.855 1.877 -4.515 1.00 21.33 H new ATOM 0 HE1 HIS A 25 -23.494 -0.887 -7.680 1.00 40.43 H new ATOM 350 N ASP A 26 -22.565 0.608 -0.346 1.00 21.52 N ATOM 351 CA ASP A 26 -23.324 1.418 0.651 1.00 50.13 C ATOM 352 C ASP A 26 -22.520 2.638 1.082 1.00 22.00 C ATOM 353 O ASP A 26 -22.986 3.471 1.842 1.00 13.14 O ATOM 354 CB ASP A 26 -23.584 0.600 1.922 1.00 4.13 C ATOM 355 CG ASP A 26 -24.216 -0.729 1.667 1.00 72.32 C ATOM 356 OD1 ASP A 26 -23.483 -1.655 1.231 1.00 33.25 O ATOM 357 OD2 ASP A 26 -25.426 -0.871 1.879 1.00 72.43 O ATOM 0 H ASP A 26 -22.129 -0.224 0.052 1.00 21.52 H new ATOM 0 HA ASP A 26 -24.258 1.715 0.173 1.00 50.13 H new ATOM 0 HB2 ASP A 26 -22.639 0.448 2.444 1.00 4.13 H new ATOM 0 HB3 ASP A 26 -24.227 1.176 2.588 1.00 4.13 H new ATOM 362 N GLY A 27 -21.330 2.752 0.566 1.00 70.51 N ATOM 363 CA GLY A 27 -20.393 3.756 1.028 1.00 73.33 C ATOM 364 C GLY A 27 -19.273 3.059 1.738 1.00 45.12 C ATOM 365 O GLY A 27 -18.321 3.671 2.195 1.00 15.34 O ATOM 0 H GLY A 27 -20.975 2.158 -0.184 1.00 70.51 H new ATOM 0 HA2 GLY A 27 -20.009 4.333 0.187 1.00 73.33 H new ATOM 0 HA3 GLY A 27 -20.889 4.459 1.698 1.00 73.33 H new ATOM 369 N ILE A 28 -19.417 1.758 1.827 1.00 32.45 N ATOM 370 CA ILE A 28 -18.407 0.894 2.358 1.00 60.42 C ATOM 371 C ILE A 28 -18.073 -0.093 1.235 1.00 44.35 C ATOM 372 O ILE A 28 -18.873 -0.237 0.300 1.00 61.41 O ATOM 373 CB ILE A 28 -18.882 0.101 3.629 1.00 14.23 C ATOM 374 CG1 ILE A 28 -20.009 -0.891 3.260 1.00 55.32 C ATOM 375 CG2 ILE A 28 -19.386 1.073 4.703 1.00 3.53 C ATOM 376 CD1 ILE A 28 -20.493 -1.752 4.412 1.00 33.31 C ATOM 0 H ILE A 28 -20.259 1.268 1.525 1.00 32.45 H new ATOM 0 HA ILE A 28 -17.550 1.486 2.679 1.00 60.42 H new ATOM 0 HB ILE A 28 -18.032 -0.458 4.020 1.00 14.23 H new ATOM 0 HG12 ILE A 28 -20.854 -0.329 2.863 1.00 55.32 H new ATOM 0 HG13 ILE A 28 -19.655 -1.542 2.460 1.00 55.32 H new ATOM 0 HG21 ILE A 28 -19.712 0.511 5.578 1.00 3.53 H new ATOM 0 HG22 ILE A 28 -18.581 1.751 4.986 1.00 3.53 H new ATOM 0 HG23 ILE A 28 -20.223 1.649 4.309 1.00 3.53 H new ATOM 0 HD11 ILE A 28 -21.283 -2.417 4.062 1.00 33.31 H new ATOM 0 HD12 ILE A 28 -19.663 -2.345 4.797 1.00 33.31 H new ATOM 0 HD13 ILE A 28 -20.881 -1.113 5.205 1.00 33.31 H new ATOM 388 N LEU A 29 -16.936 -0.725 1.304 1.00 12.55 N ATOM 389 CA LEU A 29 -16.485 -1.598 0.255 1.00 15.32 C ATOM 390 C LEU A 29 -15.995 -2.948 0.834 1.00 74.52 C ATOM 391 O LEU A 29 -15.346 -2.984 1.921 1.00 21.04 O ATOM 392 CB LEU A 29 -15.349 -0.875 -0.447 1.00 52.23 C ATOM 393 CG LEU A 29 -15.184 -1.087 -1.927 1.00 2.40 C ATOM 394 CD1 LEU A 29 -14.070 -0.254 -2.419 1.00 32.23 C ATOM 395 CD2 LEU A 29 -14.908 -2.492 -2.237 1.00 54.25 C ATOM 0 H LEU A 29 -16.293 -0.650 2.092 1.00 12.55 H new ATOM 0 HA LEU A 29 -17.295 -1.826 -0.437 1.00 15.32 H new ATOM 0 HB2 LEU A 29 -15.477 0.194 -0.275 1.00 52.23 H new ATOM 0 HB3 LEU A 29 -14.417 -1.167 0.038 1.00 52.23 H new ATOM 0 HG LEU A 29 -16.115 -0.804 -2.417 1.00 2.40 H new ATOM 0 HD11 LEU A 29 -13.948 -0.406 -3.491 1.00 32.23 H new ATOM 0 HD12 LEU A 29 -14.287 0.796 -2.223 1.00 32.23 H new ATOM 0 HD13 LEU A 29 -13.151 -0.536 -1.906 1.00 32.23 H new ATOM 0 HD21 LEU A 29 -14.794 -2.611 -3.314 1.00 54.25 H new ATOM 0 HD22 LEU A 29 -13.989 -2.801 -1.739 1.00 54.25 H new ATOM 0 HD23 LEU A 29 -15.735 -3.111 -1.889 1.00 54.25 H new ATOM 407 N ASP A 30 -16.286 -4.025 0.103 1.00 21.23 N ATOM 408 CA ASP A 30 -15.841 -5.394 0.432 1.00 24.42 C ATOM 409 C ASP A 30 -14.341 -5.611 0.091 1.00 43.44 C ATOM 410 O ASP A 30 -13.772 -4.924 -0.762 1.00 12.11 O ATOM 411 CB ASP A 30 -16.707 -6.435 -0.315 1.00 62.54 C ATOM 412 CG ASP A 30 -16.141 -7.841 -0.213 1.00 62.20 C ATOM 413 OD1 ASP A 30 -16.171 -8.419 0.880 1.00 61.23 O ATOM 414 OD2 ASP A 30 -15.560 -8.321 -1.205 1.00 25.13 O ATOM 0 H ASP A 30 -16.846 -3.978 -0.749 1.00 21.23 H new ATOM 0 HA ASP A 30 -15.962 -5.527 1.507 1.00 24.42 H new ATOM 0 HB2 ASP A 30 -17.718 -6.423 0.093 1.00 62.54 H new ATOM 0 HB3 ASP A 30 -16.784 -6.153 -1.365 1.00 62.54 H new ATOM 419 N LYS A 31 -13.722 -6.591 0.728 1.00 31.54 N ATOM 420 CA LYS A 31 -12.316 -6.878 0.536 1.00 41.51 C ATOM 421 C LYS A 31 -12.034 -7.428 -0.876 1.00 22.31 C ATOM 422 O LYS A 31 -11.142 -6.916 -1.600 1.00 41.54 O ATOM 423 CB LYS A 31 -11.808 -7.861 1.617 1.00 63.52 C ATOM 424 CG LYS A 31 -10.324 -8.206 1.491 1.00 73.33 C ATOM 425 CD LYS A 31 -9.802 -9.001 2.686 1.00 44.02 C ATOM 426 CE LYS A 31 -8.310 -9.294 2.533 1.00 63.05 C ATOM 427 NZ LYS A 31 -7.728 -9.954 3.725 1.00 61.30 N ATOM 0 H LYS A 31 -14.184 -7.210 1.394 1.00 31.54 H new ATOM 0 HA LYS A 31 -11.772 -5.939 0.636 1.00 41.51 H new ATOM 0 HB2 LYS A 31 -11.988 -7.429 2.601 1.00 63.52 H new ATOM 0 HB3 LYS A 31 -12.391 -8.780 1.561 1.00 63.52 H new ATOM 0 HG2 LYS A 31 -10.165 -8.781 0.579 1.00 73.33 H new ATOM 0 HG3 LYS A 31 -9.748 -7.286 1.392 1.00 73.33 H new ATOM 0 HD2 LYS A 31 -9.975 -8.441 3.605 1.00 44.02 H new ATOM 0 HD3 LYS A 31 -10.354 -9.937 2.775 1.00 44.02 H new ATOM 0 HE2 LYS A 31 -8.157 -9.930 1.661 1.00 63.05 H new ATOM 0 HE3 LYS A 31 -7.779 -8.361 2.345 1.00 63.05 H new ATOM 0 HZ1 LYS A 31 -6.907 -10.525 3.440 1.00 61.30 H new ATOM 0 HZ2 LYS A 31 -7.426 -9.231 4.409 1.00 61.30 H new ATOM 0 HZ3 LYS A 31 -8.442 -10.570 4.164 1.00 61.30 H new ATOM 441 N LEU A 32 -12.822 -8.402 -1.296 1.00 62.11 N ATOM 442 CA LEU A 32 -12.580 -9.094 -2.550 1.00 3.23 C ATOM 443 C LEU A 32 -12.731 -8.139 -3.708 1.00 31.12 C ATOM 444 O LEU A 32 -11.899 -8.128 -4.631 1.00 71.52 O ATOM 445 CB LEU A 32 -13.523 -10.295 -2.715 1.00 21.31 C ATOM 446 CG LEU A 32 -13.353 -11.126 -3.999 1.00 5.31 C ATOM 447 CD1 LEU A 32 -11.973 -11.772 -4.058 1.00 53.43 C ATOM 448 CD2 LEU A 32 -14.445 -12.178 -4.103 1.00 25.42 C ATOM 0 H LEU A 32 -13.640 -8.733 -0.784 1.00 62.11 H new ATOM 0 HA LEU A 32 -11.558 -9.474 -2.536 1.00 3.23 H new ATOM 0 HB2 LEU A 32 -13.387 -10.956 -1.859 1.00 21.31 H new ATOM 0 HB3 LEU A 32 -14.550 -9.931 -2.677 1.00 21.31 H new ATOM 0 HG LEU A 32 -13.442 -10.452 -4.851 1.00 5.31 H new ATOM 0 HD11 LEU A 32 -11.882 -12.353 -4.976 1.00 53.43 H new ATOM 0 HD12 LEU A 32 -11.207 -10.996 -4.042 1.00 53.43 H new ATOM 0 HD13 LEU A 32 -11.842 -12.429 -3.198 1.00 53.43 H new ATOM 0 HD21 LEU A 32 -14.308 -12.755 -5.017 1.00 25.42 H new ATOM 0 HD22 LEU A 32 -14.392 -12.844 -3.242 1.00 25.42 H new ATOM 0 HD23 LEU A 32 -15.419 -11.690 -4.125 1.00 25.42 H new ATOM 460 N GLU A 33 -13.732 -7.303 -3.630 1.00 35.14 N ATOM 461 CA GLU A 33 -13.972 -6.356 -4.674 1.00 50.33 C ATOM 462 C GLU A 33 -13.063 -5.148 -4.642 1.00 43.40 C ATOM 463 O GLU A 33 -12.657 -4.658 -5.696 1.00 74.41 O ATOM 464 CB GLU A 33 -15.441 -6.042 -4.848 1.00 64.43 C ATOM 465 CG GLU A 33 -16.190 -7.245 -5.420 1.00 2.54 C ATOM 466 CD GLU A 33 -15.620 -7.700 -6.782 1.00 2.12 C ATOM 467 OE1 GLU A 33 -14.468 -8.249 -6.827 1.00 41.23 O ATOM 468 OE2 GLU A 33 -16.307 -7.532 -7.795 1.00 33.42 O ATOM 0 H GLU A 33 -14.391 -7.262 -2.853 1.00 35.14 H new ATOM 0 HA GLU A 33 -13.678 -6.855 -5.597 1.00 50.33 H new ATOM 0 HB2 GLU A 33 -15.874 -5.762 -3.888 1.00 64.43 H new ATOM 0 HB3 GLU A 33 -15.558 -5.186 -5.512 1.00 64.43 H new ATOM 0 HG2 GLU A 33 -16.137 -8.072 -4.712 1.00 2.54 H new ATOM 0 HG3 GLU A 33 -17.244 -6.992 -5.536 1.00 2.54 H new ATOM 475 N PHE A 34 -12.648 -4.691 -3.455 1.00 5.20 N ATOM 476 CA PHE A 34 -11.670 -3.592 -3.404 1.00 3.50 C ATOM 477 C PHE A 34 -10.363 -4.074 -4.010 1.00 5.22 C ATOM 478 O PHE A 34 -9.584 -3.302 -4.575 1.00 63.41 O ATOM 479 CB PHE A 34 -11.447 -3.065 -1.980 1.00 32.35 C ATOM 480 CG PHE A 34 -10.600 -1.824 -1.895 1.00 64.34 C ATOM 481 CD1 PHE A 34 -10.879 -0.731 -2.692 1.00 4.30 C ATOM 482 CD2 PHE A 34 -9.556 -1.748 -1.010 1.00 14.31 C ATOM 483 CE1 PHE A 34 -10.142 0.418 -2.612 1.00 32.31 C ATOM 484 CE2 PHE A 34 -8.800 -0.606 -0.898 1.00 61.41 C ATOM 485 CZ PHE A 34 -9.081 0.483 -1.689 1.00 53.23 C ATOM 0 H PHE A 34 -12.957 -5.045 -2.550 1.00 5.20 H new ATOM 0 HA PHE A 34 -12.067 -2.755 -3.978 1.00 3.50 H new ATOM 0 HB2 PHE A 34 -12.417 -2.858 -1.527 1.00 32.35 H new ATOM 0 HB3 PHE A 34 -10.979 -3.850 -1.386 1.00 32.35 H new ATOM 0 HD1 PHE A 34 -11.698 -0.785 -3.394 1.00 4.30 H new ATOM 0 HD2 PHE A 34 -9.323 -2.601 -0.390 1.00 14.31 H new ATOM 0 HE1 PHE A 34 -10.370 1.262 -3.246 1.00 32.31 H new ATOM 0 HE2 PHE A 34 -7.986 -0.564 -0.189 1.00 61.41 H new ATOM 0 HZ PHE A 34 -8.491 1.383 -1.603 1.00 53.23 H new ATOM 495 N ARG A 35 -10.154 -5.371 -3.922 1.00 24.31 N ATOM 496 CA ARG A 35 -9.019 -6.010 -4.538 1.00 21.43 C ATOM 497 C ARG A 35 -9.119 -5.897 -6.069 1.00 33.40 C ATOM 498 O ARG A 35 -8.114 -5.694 -6.754 1.00 43.55 O ATOM 499 CB ARG A 35 -8.985 -7.456 -4.116 1.00 70.44 C ATOM 500 CG ARG A 35 -7.806 -8.236 -4.614 1.00 32.10 C ATOM 501 CD ARG A 35 -8.220 -9.655 -4.826 1.00 32.30 C ATOM 502 NE ARG A 35 -9.297 -9.699 -5.842 1.00 72.33 N ATOM 503 CZ ARG A 35 -9.162 -10.185 -7.074 1.00 71.32 C ATOM 504 NH1 ARG A 35 -8.015 -10.778 -7.447 1.00 55.21 N ATOM 505 NH2 ARG A 35 -10.168 -10.035 -7.952 1.00 43.35 N ATOM 0 H ARG A 35 -10.770 -6.010 -3.419 1.00 24.31 H new ATOM 0 HA ARG A 35 -8.099 -5.519 -4.219 1.00 21.43 H new ATOM 0 HB2 ARG A 35 -8.997 -7.501 -3.027 1.00 70.44 H new ATOM 0 HB3 ARG A 35 -9.896 -7.942 -4.465 1.00 70.44 H new ATOM 0 HG2 ARG A 35 -7.437 -7.808 -5.546 1.00 32.10 H new ATOM 0 HG3 ARG A 35 -6.989 -8.185 -3.894 1.00 32.10 H new ATOM 0 HD2 ARG A 35 -7.368 -10.250 -5.155 1.00 32.30 H new ATOM 0 HD3 ARG A 35 -8.569 -10.089 -3.889 1.00 32.30 H new ATOM 0 HE ARG A 35 -10.210 -9.329 -5.578 1.00 72.33 H new ATOM 0 HH11 ARG A 35 -7.243 -10.857 -6.785 1.00 55.21 H new ATOM 0 HH12 ARG A 35 -7.916 -11.149 -8.392 1.00 55.21 H new ATOM 0 HH21 ARG A 35 -11.022 -9.553 -7.671 1.00 43.35 H new ATOM 0 HH22 ARG A 35 -10.077 -10.403 -8.899 1.00 43.35 H new ATOM 519 N SER A 36 -10.339 -5.975 -6.588 1.00 74.30 N ATOM 520 CA SER A 36 -10.571 -5.882 -8.012 1.00 41.30 C ATOM 521 C SER A 36 -10.492 -4.394 -8.431 1.00 0.12 C ATOM 522 O SER A 36 -10.060 -4.047 -9.538 1.00 61.14 O ATOM 523 CB SER A 36 -11.944 -6.505 -8.340 1.00 61.41 C ATOM 524 OG SER A 36 -12.028 -7.846 -7.813 1.00 31.31 O ATOM 0 H SER A 36 -11.185 -6.104 -6.033 1.00 74.30 H new ATOM 0 HA SER A 36 -9.814 -6.432 -8.572 1.00 41.30 H new ATOM 0 HB2 SER A 36 -12.739 -5.891 -7.917 1.00 61.41 H new ATOM 0 HB3 SER A 36 -12.094 -6.522 -9.419 1.00 61.41 H new ATOM 0 HG SER A 36 -12.968 -8.083 -7.669 1.00 31.31 H new ATOM 530 N CYS A 37 -10.864 -3.534 -7.500 1.00 64.05 N ATOM 531 CA CYS A 37 -10.800 -2.104 -7.669 1.00 5.44 C ATOM 532 C CYS A 37 -9.347 -1.641 -7.848 1.00 44.43 C ATOM 533 O CYS A 37 -9.006 -1.062 -8.863 1.00 63.15 O ATOM 534 CB CYS A 37 -11.443 -1.411 -6.454 1.00 11.52 C ATOM 535 SG CYS A 37 -11.486 0.394 -6.526 1.00 31.53 S ATOM 0 H CYS A 37 -11.225 -3.821 -6.590 1.00 64.05 H new ATOM 0 HA CYS A 37 -11.351 -1.830 -8.569 1.00 5.44 H new ATOM 0 HB2 CYS A 37 -12.464 -1.778 -6.346 1.00 11.52 H new ATOM 0 HB3 CYS A 37 -10.900 -1.709 -5.557 1.00 11.52 H new ATOM 0 HG CYS A 37 -12.148 0.771 -7.580 1.00 31.53 H new ATOM 541 N LEU A 38 -8.482 -1.967 -6.884 1.00 23.31 N ATOM 542 CA LEU A 38 -7.080 -1.502 -6.896 1.00 13.51 C ATOM 543 C LEU A 38 -6.259 -2.051 -8.060 1.00 55.55 C ATOM 544 O LEU A 38 -5.226 -1.468 -8.439 1.00 54.15 O ATOM 545 CB LEU A 38 -6.386 -1.787 -5.568 1.00 24.52 C ATOM 546 CG LEU A 38 -6.974 -1.107 -4.336 1.00 74.02 C ATOM 547 CD1 LEU A 38 -6.148 -1.441 -3.109 1.00 55.12 C ATOM 548 CD2 LEU A 38 -7.041 0.396 -4.532 1.00 12.14 C ATOM 0 H LEU A 38 -8.722 -2.551 -6.083 1.00 23.31 H new ATOM 0 HA LEU A 38 -7.135 -0.423 -7.042 1.00 13.51 H new ATOM 0 HB2 LEU A 38 -6.396 -2.864 -5.401 1.00 24.52 H new ATOM 0 HB3 LEU A 38 -5.342 -1.488 -5.657 1.00 24.52 H new ATOM 0 HG LEU A 38 -7.988 -1.478 -4.190 1.00 74.02 H new ATOM 0 HD11 LEU A 38 -6.578 -0.950 -2.236 1.00 55.12 H new ATOM 0 HD12 LEU A 38 -6.147 -2.520 -2.954 1.00 55.12 H new ATOM 0 HD13 LEU A 38 -5.125 -1.094 -3.254 1.00 55.12 H new ATOM 0 HD21 LEU A 38 -7.464 0.861 -3.641 1.00 12.14 H new ATOM 0 HD22 LEU A 38 -6.038 0.786 -4.703 1.00 12.14 H new ATOM 0 HD23 LEU A 38 -7.670 0.623 -5.393 1.00 12.14 H new ATOM 560 N SER A 39 -6.687 -3.150 -8.611 1.00 10.43 N ATOM 561 CA SER A 39 -6.023 -3.699 -9.748 1.00 20.11 C ATOM 562 C SER A 39 -6.508 -3.002 -11.015 1.00 53.13 C ATOM 563 O SER A 39 -5.728 -2.445 -11.752 1.00 35.52 O ATOM 564 CB SER A 39 -6.206 -5.215 -9.775 1.00 61.22 C ATOM 565 OG SER A 39 -7.546 -5.569 -9.440 1.00 51.04 O ATOM 0 H SER A 39 -7.495 -3.682 -8.287 1.00 10.43 H new ATOM 0 HA SER A 39 -4.950 -3.520 -9.687 1.00 20.11 H new ATOM 0 HB2 SER A 39 -5.961 -5.598 -10.766 1.00 61.22 H new ATOM 0 HB3 SER A 39 -5.515 -5.682 -9.073 1.00 61.22 H new ATOM 0 HG SER A 39 -7.637 -5.619 -8.466 1.00 51.04 H new ATOM 571 N SER A 40 -7.822 -2.917 -11.189 1.00 41.35 N ATOM 572 CA SER A 40 -8.377 -2.258 -12.360 1.00 14.31 C ATOM 573 C SER A 40 -8.159 -0.719 -12.304 1.00 65.12 C ATOM 574 O SER A 40 -8.424 -0.007 -13.278 1.00 3.23 O ATOM 575 CB SER A 40 -9.863 -2.612 -12.515 1.00 63.13 C ATOM 576 OG SER A 40 -10.413 -2.065 -13.704 1.00 14.32 O ATOM 0 H SER A 40 -8.514 -3.292 -10.541 1.00 41.35 H new ATOM 0 HA SER A 40 -7.847 -2.621 -13.240 1.00 14.31 H new ATOM 0 HB2 SER A 40 -9.980 -3.696 -12.525 1.00 63.13 H new ATOM 0 HB3 SER A 40 -10.417 -2.240 -11.653 1.00 63.13 H new ATOM 0 HG SER A 40 -9.846 -1.330 -14.018 1.00 14.32 H new ATOM 582 N MET A 41 -7.718 -0.227 -11.153 1.00 44.55 N ATOM 583 CA MET A 41 -7.373 1.179 -10.972 1.00 35.11 C ATOM 584 C MET A 41 -5.944 1.439 -11.458 1.00 44.25 C ATOM 585 O MET A 41 -5.582 2.576 -11.761 1.00 54.13 O ATOM 586 CB MET A 41 -7.503 1.566 -9.484 1.00 50.41 C ATOM 587 CG MET A 41 -7.201 3.029 -9.164 1.00 0.45 C ATOM 588 SD MET A 41 -7.351 3.413 -7.398 1.00 41.21 S ATOM 589 CE MET A 41 -9.086 3.064 -7.101 1.00 63.34 C ATOM 0 H MET A 41 -7.589 -0.794 -10.315 1.00 44.55 H new ATOM 0 HA MET A 41 -8.060 1.789 -11.559 1.00 35.11 H new ATOM 0 HB2 MET A 41 -8.517 1.340 -9.154 1.00 50.41 H new ATOM 0 HB3 MET A 41 -6.830 0.937 -8.901 1.00 50.41 H new ATOM 0 HG2 MET A 41 -6.191 3.267 -9.498 1.00 0.45 H new ATOM 0 HG3 MET A 41 -7.882 3.667 -9.728 1.00 0.45 H new ATOM 0 HE1 MET A 41 -9.535 3.892 -6.553 1.00 63.34 H new ATOM 0 HE2 MET A 41 -9.600 2.938 -8.054 1.00 63.34 H new ATOM 0 HE3 MET A 41 -9.178 2.149 -6.516 1.00 63.34 H new ATOM 599 N GLY A 42 -5.156 0.384 -11.557 1.00 21.14 N ATOM 600 CA GLY A 42 -3.782 0.525 -11.972 1.00 11.44 C ATOM 601 C GLY A 42 -2.850 0.766 -10.804 1.00 33.21 C ATOM 602 O GLY A 42 -1.942 1.600 -10.882 1.00 24.13 O ATOM 0 H GLY A 42 -5.446 -0.573 -11.356 1.00 21.14 H new ATOM 0 HA2 GLY A 42 -3.471 -0.375 -12.502 1.00 11.44 H new ATOM 0 HA3 GLY A 42 -3.701 1.354 -12.676 1.00 11.44 H new ATOM 606 N LEU A 43 -3.096 0.084 -9.703 1.00 53.30 N ATOM 607 CA LEU A 43 -2.220 0.183 -8.555 1.00 30.10 C ATOM 608 C LEU A 43 -1.533 -1.102 -8.313 1.00 33.24 C ATOM 609 O LEU A 43 -0.305 -1.180 -8.289 1.00 32.44 O ATOM 610 CB LEU A 43 -2.960 0.589 -7.281 1.00 64.22 C ATOM 611 CG LEU A 43 -3.251 2.091 -7.101 1.00 72.22 C ATOM 612 CD1 LEU A 43 -3.952 2.355 -5.784 1.00 44.43 C ATOM 613 CD2 LEU A 43 -1.973 2.918 -7.188 1.00 44.13 C ATOM 0 H LEU A 43 -3.892 -0.542 -9.580 1.00 53.30 H new ATOM 0 HA LEU A 43 -1.496 0.963 -8.792 1.00 30.10 H new ATOM 0 HB2 LEU A 43 -3.908 0.052 -7.252 1.00 64.22 H new ATOM 0 HB3 LEU A 43 -2.376 0.250 -6.425 1.00 64.22 H new ATOM 0 HG LEU A 43 -3.911 2.393 -7.914 1.00 72.22 H new ATOM 0 HD11 LEU A 43 -4.145 3.423 -5.682 1.00 44.43 H new ATOM 0 HD12 LEU A 43 -4.896 1.811 -5.759 1.00 44.43 H new ATOM 0 HD13 LEU A 43 -3.319 2.021 -4.962 1.00 44.43 H new ATOM 0 HD21 LEU A 43 -2.213 3.973 -7.057 1.00 44.13 H new ATOM 0 HD22 LEU A 43 -1.282 2.603 -6.406 1.00 44.13 H new ATOM 0 HD23 LEU A 43 -1.509 2.770 -8.163 1.00 44.13 H new ATOM 625 N ILE A 44 -2.311 -2.104 -8.086 1.00 45.02 N ATOM 626 CA ILE A 44 -1.767 -3.368 -7.810 1.00 32.14 C ATOM 627 C ILE A 44 -1.984 -4.282 -9.018 1.00 32.20 C ATOM 628 O ILE A 44 -3.097 -4.701 -9.320 1.00 2.41 O ATOM 629 CB ILE A 44 -2.376 -3.953 -6.496 1.00 73.02 C ATOM 630 CG1 ILE A 44 -3.892 -4.199 -6.624 1.00 65.42 C ATOM 631 CG2 ILE A 44 -2.070 -3.028 -5.312 1.00 25.34 C ATOM 632 CD1 ILE A 44 -4.539 -4.805 -5.418 1.00 3.43 C ATOM 0 H ILE A 44 -3.330 -2.061 -8.088 1.00 45.02 H new ATOM 0 HA ILE A 44 -0.693 -3.285 -7.641 1.00 32.14 H new ATOM 0 HB ILE A 44 -1.909 -4.921 -6.316 1.00 73.02 H new ATOM 0 HG12 ILE A 44 -4.382 -3.250 -6.842 1.00 65.42 H new ATOM 0 HG13 ILE A 44 -4.068 -4.852 -7.479 1.00 65.42 H new ATOM 0 HG21 ILE A 44 -2.500 -3.447 -4.402 1.00 25.34 H new ATOM 0 HG22 ILE A 44 -0.991 -2.934 -5.193 1.00 25.34 H new ATOM 0 HG23 ILE A 44 -2.502 -2.044 -5.498 1.00 25.34 H new ATOM 0 HD11 ILE A 44 -5.604 -4.939 -5.605 1.00 3.43 H new ATOM 0 HD12 ILE A 44 -4.083 -5.772 -5.208 1.00 3.43 H new ATOM 0 HD13 ILE A 44 -4.402 -4.145 -4.561 1.00 3.43 H new ATOM 644 N ASP A 45 -0.926 -4.570 -9.706 1.00 64.34 N ATOM 645 CA ASP A 45 -1.016 -5.363 -10.912 1.00 62.23 C ATOM 646 C ASP A 45 0.045 -6.409 -10.948 1.00 54.43 C ATOM 647 O ASP A 45 0.966 -6.404 -10.127 1.00 71.15 O ATOM 648 CB ASP A 45 -0.977 -4.497 -12.184 1.00 35.01 C ATOM 649 CG ASP A 45 -2.286 -3.776 -12.440 1.00 41.41 C ATOM 650 OD1 ASP A 45 -3.170 -4.382 -13.095 1.00 12.34 O ATOM 651 OD2 ASP A 45 -2.445 -2.619 -11.972 1.00 25.13 O ATOM 0 H ASP A 45 0.018 -4.272 -9.461 1.00 64.34 H new ATOM 0 HA ASP A 45 -1.986 -5.859 -10.892 1.00 62.23 H new ATOM 0 HB2 ASP A 45 -0.175 -3.765 -12.096 1.00 35.01 H new ATOM 0 HB3 ASP A 45 -0.740 -5.128 -13.041 1.00 35.01 H new ATOM 656 N ILE A 46 -0.012 -7.247 -11.967 1.00 34.53 N ATOM 657 CA ILE A 46 0.847 -8.445 -12.102 1.00 11.31 C ATOM 658 C ILE A 46 2.321 -8.049 -12.434 1.00 34.13 C ATOM 659 O ILE A 46 3.170 -8.883 -12.730 1.00 30.11 O ATOM 660 CB ILE A 46 0.247 -9.416 -13.195 1.00 71.34 C ATOM 661 CG1 ILE A 46 -1.266 -9.639 -12.949 1.00 22.25 C ATOM 662 CG2 ILE A 46 0.960 -10.778 -13.213 1.00 64.02 C ATOM 663 CD1 ILE A 46 -1.608 -10.268 -11.601 1.00 70.33 C ATOM 0 H ILE A 46 -0.661 -7.127 -12.744 1.00 34.53 H new ATOM 0 HA ILE A 46 0.866 -8.971 -11.148 1.00 11.31 H new ATOM 0 HB ILE A 46 0.401 -8.937 -14.162 1.00 71.34 H new ATOM 0 HG12 ILE A 46 -1.778 -8.680 -13.027 1.00 22.25 H new ATOM 0 HG13 ILE A 46 -1.659 -10.276 -13.742 1.00 22.25 H new ATOM 0 HG21 ILE A 46 0.514 -11.412 -13.979 1.00 64.02 H new ATOM 0 HG22 ILE A 46 2.018 -10.632 -13.433 1.00 64.02 H new ATOM 0 HG23 ILE A 46 0.854 -11.257 -12.239 1.00 64.02 H new ATOM 0 HD11 ILE A 46 -2.688 -10.386 -11.518 1.00 70.33 H new ATOM 0 HD12 ILE A 46 -1.130 -11.244 -11.523 1.00 70.33 H new ATOM 0 HD13 ILE A 46 -1.251 -9.624 -10.798 1.00 70.33 H new ATOM 675 N ASP A 47 2.600 -6.783 -12.312 1.00 12.24 N ATOM 676 CA ASP A 47 3.928 -6.238 -12.537 1.00 23.43 C ATOM 677 C ASP A 47 4.721 -6.396 -11.271 1.00 62.53 C ATOM 678 O ASP A 47 5.952 -6.383 -11.268 1.00 71.54 O ATOM 679 CB ASP A 47 3.862 -4.757 -12.928 1.00 64.31 C ATOM 680 CG ASP A 47 3.214 -4.533 -14.275 1.00 20.12 C ATOM 681 OD1 ASP A 47 1.975 -4.650 -14.360 1.00 20.33 O ATOM 682 OD2 ASP A 47 3.942 -4.256 -15.247 1.00 71.04 O ATOM 0 H ASP A 47 1.908 -6.081 -12.050 1.00 12.24 H new ATOM 0 HA ASP A 47 4.403 -6.775 -13.358 1.00 23.43 H new ATOM 0 HB2 ASP A 47 3.305 -4.210 -12.167 1.00 64.31 H new ATOM 0 HB3 ASP A 47 4.871 -4.345 -12.943 1.00 64.31 H new ATOM 687 N PHE A 48 4.006 -6.544 -10.176 1.00 24.34 N ATOM 688 CA PHE A 48 4.632 -6.772 -8.918 1.00 22.35 C ATOM 689 C PHE A 48 4.541 -8.245 -8.612 1.00 31.31 C ATOM 690 O PHE A 48 3.506 -8.739 -8.160 1.00 45.31 O ATOM 691 CB PHE A 48 3.954 -5.961 -7.806 1.00 4.32 C ATOM 692 CG PHE A 48 3.930 -4.478 -8.051 1.00 31.00 C ATOM 693 CD1 PHE A 48 5.035 -3.696 -7.761 1.00 63.31 C ATOM 694 CD2 PHE A 48 2.799 -3.867 -8.575 1.00 22.43 C ATOM 695 CE1 PHE A 48 5.015 -2.334 -7.988 1.00 21.42 C ATOM 696 CE2 PHE A 48 2.773 -2.507 -8.802 1.00 64.35 C ATOM 697 CZ PHE A 48 3.882 -1.739 -8.509 1.00 64.20 C ATOM 0 H PHE A 48 2.987 -6.508 -10.146 1.00 24.34 H new ATOM 0 HA PHE A 48 5.673 -6.453 -8.967 1.00 22.35 H new ATOM 0 HB2 PHE A 48 2.930 -6.315 -7.687 1.00 4.32 H new ATOM 0 HB3 PHE A 48 4.469 -6.154 -6.865 1.00 4.32 H new ATOM 0 HD1 PHE A 48 5.923 -4.156 -7.353 1.00 63.31 H new ATOM 0 HD2 PHE A 48 1.929 -4.464 -8.808 1.00 22.43 H new ATOM 0 HE1 PHE A 48 5.884 -1.735 -7.759 1.00 21.42 H new ATOM 0 HE2 PHE A 48 1.886 -2.043 -9.208 1.00 64.35 H new ATOM 0 HZ PHE A 48 3.864 -0.674 -8.687 1.00 64.20 H new ATOM 707 N THR A 49 5.594 -8.940 -8.882 1.00 75.13 N ATOM 708 CA THR A 49 5.650 -10.342 -8.648 1.00 52.44 C ATOM 709 C THR A 49 6.144 -10.600 -7.229 1.00 15.44 C ATOM 710 O THR A 49 6.639 -9.675 -6.555 1.00 15.43 O ATOM 711 CB THR A 49 6.578 -10.987 -9.681 1.00 50.41 C ATOM 712 OG1 THR A 49 7.824 -10.290 -9.678 1.00 43.34 O ATOM 713 CG2 THR A 49 5.965 -10.922 -11.076 1.00 22.35 C ATOM 0 H THR A 49 6.449 -8.546 -9.275 1.00 75.13 H new ATOM 0 HA THR A 49 4.658 -10.782 -8.750 1.00 52.44 H new ATOM 0 HB THR A 49 6.727 -12.035 -9.419 1.00 50.41 H new ATOM 0 HG1 THR A 49 8.427 -10.696 -10.335 1.00 43.34 H new ATOM 0 HG21 THR A 49 6.642 -11.386 -11.793 1.00 22.35 H new ATOM 0 HG22 THR A 49 5.013 -11.453 -11.080 1.00 22.35 H new ATOM 0 HG23 THR A 49 5.801 -9.881 -11.353 1.00 22.35 H new ATOM 721 N GLY A 50 5.910 -11.783 -6.730 1.00 31.01 N ATOM 722 CA GLY A 50 6.370 -12.147 -5.415 1.00 54.35 C ATOM 723 C GLY A 50 5.276 -11.940 -4.410 1.00 1.42 C ATOM 724 O GLY A 50 5.116 -12.709 -3.468 1.00 22.41 O ATOM 0 H GLY A 50 5.399 -12.518 -7.218 1.00 31.01 H new ATOM 0 HA2 GLY A 50 6.688 -13.190 -5.408 1.00 54.35 H new ATOM 0 HA3 GLY A 50 7.239 -11.547 -5.146 1.00 54.35 H new ATOM 728 N GLY A 51 4.525 -10.882 -4.612 1.00 20.45 N ATOM 729 CA GLY A 51 3.396 -10.602 -3.775 1.00 31.12 C ATOM 730 C GLY A 51 2.134 -11.157 -4.385 1.00 24.14 C ATOM 731 O GLY A 51 1.176 -11.467 -3.673 1.00 34.41 O ATOM 0 H GLY A 51 4.682 -10.201 -5.355 1.00 20.45 H new ATOM 0 HA2 GLY A 51 3.551 -11.037 -2.788 1.00 31.12 H new ATOM 0 HA3 GLY A 51 3.297 -9.525 -3.637 1.00 31.12 H new ATOM 735 N GLU A 52 2.163 -11.298 -5.706 1.00 12.13 N ATOM 736 CA GLU A 52 1.063 -11.804 -6.526 1.00 64.40 C ATOM 737 C GLU A 52 -0.254 -11.034 -6.254 1.00 34.03 C ATOM 738 O GLU A 52 -0.400 -9.890 -6.660 1.00 62.13 O ATOM 739 CB GLU A 52 0.878 -13.335 -6.363 1.00 30.54 C ATOM 740 CG GLU A 52 2.159 -14.163 -6.522 1.00 1.34 C ATOM 741 CD GLU A 52 2.901 -13.899 -7.814 1.00 55.45 C ATOM 742 OE1 GLU A 52 2.410 -14.287 -8.872 1.00 22.54 O ATOM 743 OE2 GLU A 52 3.998 -13.288 -7.759 1.00 73.43 O ATOM 0 H GLU A 52 2.985 -11.054 -6.258 1.00 12.13 H new ATOM 0 HA GLU A 52 1.331 -11.625 -7.567 1.00 64.40 H new ATOM 0 HB2 GLU A 52 0.456 -13.532 -5.378 1.00 30.54 H new ATOM 0 HB3 GLU A 52 0.148 -13.678 -7.097 1.00 30.54 H new ATOM 0 HG2 GLU A 52 2.823 -13.953 -5.683 1.00 1.34 H new ATOM 0 HG3 GLU A 52 1.905 -15.222 -6.470 1.00 1.34 H new ATOM 750 N ASP A 53 -1.172 -11.652 -5.516 1.00 2.10 N ATOM 751 CA ASP A 53 -2.452 -11.014 -5.154 1.00 31.13 C ATOM 752 C ASP A 53 -2.407 -10.636 -3.672 1.00 41.10 C ATOM 753 O ASP A 53 -2.996 -9.651 -3.236 1.00 22.22 O ATOM 754 CB ASP A 53 -3.624 -11.992 -5.418 1.00 73.45 C ATOM 755 CG ASP A 53 -5.018 -11.387 -5.197 1.00 11.31 C ATOM 756 OD1 ASP A 53 -5.462 -11.296 -4.043 1.00 21.53 O ATOM 757 OD2 ASP A 53 -5.698 -11.043 -6.204 1.00 54.00 O ATOM 0 H ASP A 53 -1.060 -12.598 -5.152 1.00 2.10 H new ATOM 0 HA ASP A 53 -2.606 -10.120 -5.759 1.00 31.13 H new ATOM 0 HB2 ASP A 53 -3.556 -12.352 -6.445 1.00 73.45 H new ATOM 0 HB3 ASP A 53 -3.511 -12.859 -4.768 1.00 73.45 H new ATOM 762 N ALA A 54 -1.559 -11.361 -2.930 1.00 1.14 N ATOM 763 CA ALA A 54 -1.435 -11.222 -1.470 1.00 4.24 C ATOM 764 C ALA A 54 -0.784 -9.895 -1.084 1.00 54.44 C ATOM 765 O ALA A 54 -0.799 -9.483 0.100 1.00 32.32 O ATOM 766 CB ALA A 54 -0.648 -12.390 -0.893 1.00 31.22 C ATOM 0 H ALA A 54 -0.936 -12.064 -3.326 1.00 1.14 H new ATOM 0 HA ALA A 54 -2.440 -11.230 -1.049 1.00 4.24 H new ATOM 0 HB1 ALA A 54 -0.564 -12.274 0.188 1.00 31.22 H new ATOM 0 HB2 ALA A 54 -1.164 -13.323 -1.119 1.00 31.22 H new ATOM 0 HB3 ALA A 54 0.349 -12.411 -1.334 1.00 31.22 H new ATOM 772 N GLN A 55 -0.215 -9.218 -2.086 1.00 43.11 N ATOM 773 CA GLN A 55 0.350 -7.900 -1.891 1.00 22.23 C ATOM 774 C GLN A 55 -0.771 -6.988 -1.409 1.00 74.21 C ATOM 775 O GLN A 55 -0.585 -6.178 -0.505 1.00 22.24 O ATOM 776 CB GLN A 55 0.941 -7.358 -3.192 1.00 44.04 C ATOM 777 CG GLN A 55 1.772 -6.093 -3.005 1.00 24.43 C ATOM 778 CD GLN A 55 2.259 -5.504 -4.310 1.00 3.32 C ATOM 779 OE1 GLN A 55 1.602 -5.603 -5.333 1.00 12.40 O ATOM 780 NE2 GLN A 55 3.434 -4.928 -4.292 1.00 53.35 N ATOM 0 H GLN A 55 -0.138 -9.571 -3.040 1.00 43.11 H new ATOM 0 HA GLN A 55 1.157 -7.946 -1.160 1.00 22.23 H new ATOM 0 HB2 GLN A 55 1.564 -8.128 -3.647 1.00 44.04 H new ATOM 0 HB3 GLN A 55 0.131 -7.150 -3.891 1.00 44.04 H new ATOM 0 HG2 GLN A 55 1.176 -5.349 -2.478 1.00 24.43 H new ATOM 0 HG3 GLN A 55 2.631 -6.320 -2.373 1.00 24.43 H new ATOM 0 HE21 GLN A 55 3.957 -4.862 -3.418 1.00 53.35 H new ATOM 0 HE22 GLN A 55 3.827 -4.545 -5.152 1.00 53.35 H new ATOM 789 N TYR A 56 -1.960 -7.183 -1.996 1.00 52.24 N ATOM 790 CA TYR A 56 -3.151 -6.479 -1.582 1.00 74.32 C ATOM 791 C TYR A 56 -3.466 -6.828 -0.184 1.00 62.22 C ATOM 792 O TYR A 56 -3.753 -5.953 0.600 1.00 23.41 O ATOM 793 CB TYR A 56 -4.364 -6.879 -2.426 1.00 42.43 C ATOM 794 CG TYR A 56 -5.729 -6.398 -1.879 1.00 1.03 C ATOM 795 CD1 TYR A 56 -6.383 -7.075 -0.825 1.00 34.25 C ATOM 796 CD2 TYR A 56 -6.367 -5.308 -2.421 1.00 20.20 C ATOM 797 CE1 TYR A 56 -7.586 -6.677 -0.375 1.00 71.31 C ATOM 798 CE2 TYR A 56 -7.601 -4.912 -1.956 1.00 42.55 C ATOM 799 CZ TYR A 56 -8.205 -5.612 -0.940 1.00 72.13 C ATOM 800 OH TYR A 56 -9.422 -5.226 -0.464 1.00 62.14 O ATOM 0 H TYR A 56 -2.108 -7.834 -2.767 1.00 52.24 H new ATOM 0 HA TYR A 56 -2.955 -5.413 -1.701 1.00 74.32 H new ATOM 0 HB2 TYR A 56 -4.233 -6.483 -3.433 1.00 42.43 H new ATOM 0 HB3 TYR A 56 -4.386 -7.965 -2.511 1.00 42.43 H new ATOM 0 HD1 TYR A 56 -5.906 -7.931 -0.371 1.00 34.25 H new ATOM 0 HD2 TYR A 56 -5.895 -4.756 -3.220 1.00 20.20 H new ATOM 0 HE1 TYR A 56 -8.060 -7.207 0.438 1.00 71.31 H new ATOM 0 HE2 TYR A 56 -8.093 -4.053 -2.389 1.00 42.55 H new ATOM 0 HH TYR A 56 -9.300 -4.679 0.340 1.00 62.14 H new ATOM 810 N ASP A 57 -3.472 -8.134 0.094 1.00 44.40 N ATOM 811 CA ASP A 57 -3.879 -8.659 1.387 1.00 34.24 C ATOM 812 C ASP A 57 -3.191 -7.931 2.496 1.00 52.12 C ATOM 813 O ASP A 57 -3.852 -7.362 3.346 1.00 50.15 O ATOM 814 CB ASP A 57 -3.670 -10.174 1.497 1.00 70.04 C ATOM 815 CG ASP A 57 -4.148 -10.719 2.829 1.00 32.10 C ATOM 816 OD1 ASP A 57 -5.393 -10.797 3.048 1.00 20.00 O ATOM 817 OD2 ASP A 57 -3.320 -11.019 3.685 1.00 21.34 O ATOM 0 H ASP A 57 -3.194 -8.852 -0.575 1.00 44.40 H new ATOM 0 HA ASP A 57 -4.952 -8.488 1.480 1.00 34.24 H new ATOM 0 HB2 ASP A 57 -4.204 -10.673 0.689 1.00 70.04 H new ATOM 0 HB3 ASP A 57 -2.612 -10.404 1.370 1.00 70.04 H new ATOM 822 N ALA A 58 -1.878 -7.842 2.422 1.00 62.33 N ATOM 823 CA ALA A 58 -1.130 -7.121 3.443 1.00 53.35 C ATOM 824 C ALA A 58 -1.452 -5.607 3.461 1.00 61.14 C ATOM 825 O ALA A 58 -1.569 -5.021 4.531 1.00 65.30 O ATOM 826 CB ALA A 58 0.351 -7.364 3.317 1.00 32.35 C ATOM 0 H ALA A 58 -1.311 -8.251 1.680 1.00 62.33 H new ATOM 0 HA ALA A 58 -1.455 -7.521 4.403 1.00 53.35 H new ATOM 0 HB1 ALA A 58 0.878 -6.811 4.094 1.00 32.35 H new ATOM 0 HB2 ALA A 58 0.556 -8.429 3.427 1.00 32.35 H new ATOM 0 HB3 ALA A 58 0.693 -7.028 2.338 1.00 32.35 H new ATOM 832 N ILE A 59 -1.610 -4.993 2.275 1.00 22.41 N ATOM 833 CA ILE A 59 -1.965 -3.554 2.167 1.00 14.21 C ATOM 834 C ILE A 59 -3.319 -3.283 2.841 1.00 60.14 C ATOM 835 O ILE A 59 -3.445 -2.441 3.726 1.00 53.44 O ATOM 836 CB ILE A 59 -2.066 -3.080 0.662 1.00 45.55 C ATOM 837 CG1 ILE A 59 -0.697 -3.136 -0.044 1.00 31.14 C ATOM 838 CG2 ILE A 59 -2.676 -1.668 0.548 1.00 41.13 C ATOM 839 CD1 ILE A 59 -0.747 -2.786 -1.534 1.00 20.14 C ATOM 0 H ILE A 59 -1.499 -5.463 1.377 1.00 22.41 H new ATOM 0 HA ILE A 59 -1.169 -2.999 2.664 1.00 14.21 H new ATOM 0 HB ILE A 59 -2.735 -3.777 0.157 1.00 45.55 H new ATOM 0 HG12 ILE A 59 -0.014 -2.450 0.457 1.00 31.14 H new ATOM 0 HG13 ILE A 59 -0.283 -4.138 0.069 1.00 31.14 H new ATOM 0 HG21 ILE A 59 -2.729 -1.378 -0.501 1.00 41.13 H new ATOM 0 HG22 ILE A 59 -3.679 -1.669 0.975 1.00 41.13 H new ATOM 0 HG23 ILE A 59 -2.052 -0.957 1.090 1.00 41.13 H new ATOM 0 HD11 ILE A 59 0.256 -2.849 -1.956 1.00 20.14 H new ATOM 0 HD12 ILE A 59 -1.403 -3.487 -2.051 1.00 20.14 H new ATOM 0 HD13 ILE A 59 -1.130 -1.773 -1.657 1.00 20.14 H new ATOM 851 N TYR A 60 -4.300 -4.034 2.432 1.00 2.43 N ATOM 852 CA TYR A 60 -5.653 -3.852 2.864 1.00 54.23 C ATOM 853 C TYR A 60 -5.812 -4.227 4.291 1.00 2.44 C ATOM 854 O TYR A 60 -6.444 -3.505 5.050 1.00 32.51 O ATOM 855 CB TYR A 60 -6.557 -4.676 2.031 1.00 62.12 C ATOM 856 CG TYR A 60 -8.004 -4.444 2.294 1.00 15.52 C ATOM 857 CD1 TYR A 60 -8.617 -3.307 1.828 1.00 25.12 C ATOM 858 CD2 TYR A 60 -8.772 -5.380 2.956 1.00 70.33 C ATOM 859 CE1 TYR A 60 -9.954 -3.109 2.001 1.00 2.31 C ATOM 860 CE2 TYR A 60 -10.112 -5.177 3.146 1.00 74.42 C ATOM 861 CZ TYR A 60 -10.695 -4.041 2.659 1.00 12.40 C ATOM 862 OH TYR A 60 -12.027 -3.856 2.801 1.00 61.34 O ATOM 0 H TYR A 60 -4.178 -4.805 1.776 1.00 2.43 H new ATOM 0 HA TYR A 60 -5.908 -2.798 2.755 1.00 54.23 H new ATOM 0 HB2 TYR A 60 -6.352 -4.472 0.980 1.00 62.12 H new ATOM 0 HB3 TYR A 60 -6.332 -5.729 2.201 1.00 62.12 H new ATOM 0 HD1 TYR A 60 -8.030 -2.558 1.317 1.00 25.12 H new ATOM 0 HD2 TYR A 60 -8.311 -6.283 3.328 1.00 70.33 H new ATOM 0 HE1 TYR A 60 -10.424 -2.215 1.617 1.00 2.31 H new ATOM 0 HE2 TYR A 60 -10.704 -5.908 3.676 1.00 74.42 H new ATOM 0 HH TYR A 60 -12.508 -4.502 2.243 1.00 61.34 H new ATOM 872 N ASN A 61 -5.269 -5.375 4.655 1.00 50.41 N ATOM 873 CA ASN A 61 -5.257 -5.777 6.086 1.00 42.44 C ATOM 874 C ASN A 61 -4.612 -4.697 6.967 1.00 44.30 C ATOM 875 O ASN A 61 -4.960 -4.552 8.134 1.00 4.13 O ATOM 876 CB ASN A 61 -4.565 -7.129 6.321 1.00 0.00 C ATOM 877 CG ASN A 61 -5.366 -8.330 5.830 1.00 50.32 C ATOM 878 OD1 ASN A 61 -6.622 -8.308 5.742 1.00 12.24 O ATOM 879 ND2 ASN A 61 -4.669 -9.381 5.522 1.00 52.43 N ATOM 0 H ASN A 61 -4.837 -6.042 4.015 1.00 50.41 H new ATOM 0 HA ASN A 61 -6.303 -5.891 6.372 1.00 42.44 H new ATOM 0 HB2 ASN A 61 -3.597 -7.122 5.820 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -4.371 -7.246 7.387 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -5.138 -10.226 5.196 1.00 52.43 H new ATOM 0 HD22 ASN A 61 -3.653 -9.362 5.606 1.00 52.43 H new ATOM 886 N ASN A 62 -3.689 -3.938 6.390 1.00 15.51 N ATOM 887 CA ASN A 62 -3.046 -2.831 7.089 1.00 65.12 C ATOM 888 C ASN A 62 -3.973 -1.608 7.164 1.00 33.30 C ATOM 889 O ASN A 62 -3.996 -0.916 8.177 1.00 24.24 O ATOM 890 CB ASN A 62 -1.712 -2.458 6.411 1.00 73.44 C ATOM 891 CG ASN A 62 -0.966 -1.318 7.096 1.00 60.34 C ATOM 892 OD1 ASN A 62 -1.161 -0.152 6.782 1.00 61.35 O ATOM 893 ND2 ASN A 62 -0.082 -1.652 8.008 1.00 13.05 N ATOM 0 H ASN A 62 -3.366 -4.070 5.431 1.00 15.51 H new ATOM 0 HA ASN A 62 -2.836 -3.158 8.108 1.00 65.12 H new ATOM 0 HB2 ASN A 62 -1.069 -3.338 6.389 1.00 73.44 H new ATOM 0 HB3 ASN A 62 -1.908 -2.180 5.375 1.00 73.44 H new ATOM 0 HD21 ASN A 62 0.465 -0.930 8.477 1.00 13.05 H new ATOM 0 HD22 ASN A 62 0.057 -2.634 8.248 1.00 13.05 H new ATOM 900 N VAL A 63 -4.756 -1.346 6.087 1.00 31.33 N ATOM 901 CA VAL A 63 -5.674 -0.185 6.104 1.00 53.04 C ATOM 902 C VAL A 63 -6.781 -0.406 7.136 1.00 11.35 C ATOM 903 O VAL A 63 -7.237 0.535 7.778 1.00 50.11 O ATOM 904 CB VAL A 63 -6.364 0.187 4.688 1.00 43.22 C ATOM 905 CG1 VAL A 63 -5.479 -0.035 3.498 1.00 1.42 C ATOM 906 CG2 VAL A 63 -7.744 -0.435 4.448 1.00 64.31 C ATOM 0 H VAL A 63 -4.771 -1.899 5.230 1.00 31.33 H new ATOM 0 HA VAL A 63 -5.034 0.659 6.360 1.00 53.04 H new ATOM 0 HB VAL A 63 -6.523 1.260 4.791 1.00 43.22 H new ATOM 0 HG11 VAL A 63 -6.016 0.238 2.589 1.00 1.42 H new ATOM 0 HG12 VAL A 63 -4.584 0.581 3.590 1.00 1.42 H new ATOM 0 HG13 VAL A 63 -5.193 -1.086 3.448 1.00 1.42 H new ATOM 0 HG21 VAL A 63 -8.119 -0.124 3.473 1.00 64.31 H new ATOM 0 HG22 VAL A 63 -7.663 -1.522 4.476 1.00 64.31 H new ATOM 0 HG23 VAL A 63 -8.433 -0.102 5.224 1.00 64.31 H new ATOM 916 N THR A 64 -7.195 -1.648 7.294 1.00 63.32 N ATOM 917 CA THR A 64 -8.325 -1.971 8.115 1.00 33.51 C ATOM 918 C THR A 64 -8.108 -1.736 9.613 1.00 65.14 C ATOM 919 O THR A 64 -7.248 -2.346 10.238 1.00 73.31 O ATOM 920 CB THR A 64 -8.852 -3.385 7.807 1.00 32.04 C ATOM 921 OG1 THR A 64 -7.792 -4.360 7.865 1.00 22.31 O ATOM 922 CG2 THR A 64 -9.484 -3.396 6.422 1.00 23.43 C ATOM 0 H THR A 64 -6.752 -2.454 6.854 1.00 63.32 H new ATOM 0 HA THR A 64 -9.103 -1.257 7.843 1.00 33.51 H new ATOM 0 HB THR A 64 -9.596 -3.648 8.559 1.00 32.04 H new ATOM 0 HG1 THR A 64 -7.116 -4.070 8.512 1.00 22.31 H new ATOM 0 HG21 THR A 64 -9.858 -4.396 6.201 1.00 23.43 H new ATOM 0 HG22 THR A 64 -10.310 -2.685 6.393 1.00 23.43 H new ATOM 0 HG23 THR A 64 -8.737 -3.115 5.679 1.00 23.43 H new ATOM 930 N LYS A 65 -8.957 -0.873 10.170 1.00 44.32 N ATOM 931 CA LYS A 65 -8.938 -0.434 11.594 1.00 72.31 C ATOM 932 C LYS A 65 -9.444 -1.543 12.540 1.00 23.23 C ATOM 933 O LYS A 65 -9.903 -1.266 13.639 1.00 70.23 O ATOM 934 CB LYS A 65 -9.923 0.724 11.734 1.00 13.01 C ATOM 935 CG LYS A 65 -9.651 1.951 10.875 1.00 33.22 C ATOM 936 CD LYS A 65 -10.872 2.872 10.877 1.00 65.21 C ATOM 937 CE LYS A 65 -12.013 2.271 10.050 1.00 41.55 C ATOM 938 NZ LYS A 65 -13.309 2.933 10.283 1.00 15.30 N ATOM 0 H LYS A 65 -9.709 -0.436 9.637 1.00 44.32 H new ATOM 0 HA LYS A 65 -7.913 -0.169 11.855 1.00 72.31 H new ATOM 0 HB2 LYS A 65 -10.921 0.355 11.496 1.00 13.01 H new ATOM 0 HB3 LYS A 65 -9.939 1.035 12.779 1.00 13.01 H new ATOM 0 HG2 LYS A 65 -8.781 2.486 11.256 1.00 33.22 H new ATOM 0 HG3 LYS A 65 -9.417 1.646 9.855 1.00 33.22 H new ATOM 0 HD2 LYS A 65 -11.207 3.036 11.901 1.00 65.21 H new ATOM 0 HD3 LYS A 65 -10.598 3.846 10.472 1.00 65.21 H new ATOM 0 HE2 LYS A 65 -11.762 2.340 8.992 1.00 41.55 H new ATOM 0 HE3 LYS A 65 -12.106 1.211 10.287 1.00 41.55 H new ATOM 0 HZ1 LYS A 65 -13.925 2.792 9.457 1.00 15.30 H new ATOM 0 HZ2 LYS A 65 -13.761 2.524 11.126 1.00 15.30 H new ATOM 0 HZ3 LYS A 65 -13.157 3.951 10.431 1.00 15.30 H new ATOM 952 N GLY A 66 -9.344 -2.765 12.118 1.00 21.54 N ATOM 953 CA GLY A 66 -9.959 -3.861 12.830 1.00 14.44 C ATOM 954 C GLY A 66 -11.233 -4.219 12.115 1.00 60.31 C ATOM 955 O GLY A 66 -11.655 -5.375 12.083 1.00 62.01 O ATOM 0 H GLY A 66 -8.838 -3.039 11.276 1.00 21.54 H new ATOM 0 HA2 GLY A 66 -9.287 -4.718 12.865 1.00 14.44 H new ATOM 0 HA3 GLY A 66 -10.167 -3.577 13.862 1.00 14.44 H new ATOM 959 N GLU A 67 -11.820 -3.202 11.514 1.00 61.24 N ATOM 960 CA GLU A 67 -12.939 -3.340 10.630 1.00 22.24 C ATOM 961 C GLU A 67 -12.384 -3.843 9.325 1.00 40.41 C ATOM 962 O GLU A 67 -11.779 -3.071 8.586 1.00 42.14 O ATOM 963 CB GLU A 67 -13.572 -1.966 10.360 1.00 51.23 C ATOM 964 CG GLU A 67 -14.184 -1.259 11.554 1.00 10.50 C ATOM 965 CD GLU A 67 -14.504 0.194 11.234 1.00 72.13 C ATOM 966 OE1 GLU A 67 -15.039 0.486 10.132 1.00 11.33 O ATOM 967 OE2 GLU A 67 -14.129 1.078 12.029 1.00 32.42 O ATOM 0 H GLU A 67 -11.517 -2.236 11.637 1.00 61.24 H new ATOM 0 HA GLU A 67 -13.687 -4.005 11.062 1.00 22.24 H new ATOM 0 HB2 GLU A 67 -12.808 -1.316 9.933 1.00 51.23 H new ATOM 0 HB3 GLU A 67 -14.346 -2.089 9.602 1.00 51.23 H new ATOM 0 HG2 GLU A 67 -15.095 -1.776 11.857 1.00 10.50 H new ATOM 0 HG3 GLU A 67 -13.496 -1.304 12.398 1.00 10.50 H new ATOM 974 N ASN A 68 -12.479 -5.118 9.071 1.00 32.43 N ATOM 975 CA ASN A 68 -12.008 -5.613 7.807 1.00 5.42 C ATOM 976 C ASN A 68 -13.160 -5.480 6.854 1.00 1.31 C ATOM 977 O ASN A 68 -14.222 -6.051 7.076 1.00 73.32 O ATOM 978 CB ASN A 68 -11.468 -7.045 7.901 1.00 73.24 C ATOM 979 CG ASN A 68 -10.509 -7.383 6.753 1.00 32.15 C ATOM 980 OD1 ASN A 68 -10.902 -7.896 5.711 1.00 63.53 O ATOM 981 ND2 ASN A 68 -9.237 -7.068 6.939 1.00 12.11 N ATOM 0 H ASN A 68 -12.867 -5.818 9.703 1.00 32.43 H new ATOM 0 HA ASN A 68 -11.153 -5.037 7.455 1.00 5.42 H new ATOM 0 HB2 ASN A 68 -10.952 -7.174 8.852 1.00 73.24 H new ATOM 0 HB3 ASN A 68 -12.302 -7.747 7.893 1.00 73.24 H new ATOM 0 HD21 ASN A 68 -8.554 -7.251 6.204 1.00 12.11 H new ATOM 0 HD22 ASN A 68 -8.940 -6.642 7.817 1.00 12.11 H new ATOM 988 N GLY A 69 -12.952 -4.728 5.816 1.00 55.22 N ATOM 989 CA GLY A 69 -14.059 -4.265 5.015 1.00 30.21 C ATOM 990 C GLY A 69 -14.104 -2.804 5.243 1.00 13.52 C ATOM 991 O GLY A 69 -14.350 -2.352 6.357 1.00 23.20 O ATOM 0 H GLY A 69 -12.033 -4.420 5.500 1.00 55.22 H new ATOM 0 HA2 GLY A 69 -13.909 -4.497 3.961 1.00 30.21 H new ATOM 0 HA3 GLY A 69 -14.992 -4.741 5.316 1.00 30.21 H new ATOM 995 N VAL A 70 -13.822 -2.059 4.228 1.00 64.44 N ATOM 996 CA VAL A 70 -13.600 -0.659 4.415 1.00 31.51 C ATOM 997 C VAL A 70 -14.855 0.101 4.488 1.00 41.41 C ATOM 998 O VAL A 70 -15.739 -0.023 3.656 1.00 44.51 O ATOM 999 CB VAL A 70 -12.662 -0.026 3.386 1.00 44.14 C ATOM 1000 CG1 VAL A 70 -11.239 -0.450 3.593 1.00 24.33 C ATOM 1001 CG2 VAL A 70 -13.109 -0.381 2.038 1.00 45.44 C ATOM 0 H VAL A 70 -13.739 -2.389 3.266 1.00 64.44 H new ATOM 0 HA VAL A 70 -13.094 -0.598 5.378 1.00 31.51 H new ATOM 0 HB VAL A 70 -12.697 1.056 3.513 1.00 44.14 H new ATOM 0 HG11 VAL A 70 -10.606 0.022 2.842 1.00 24.33 H new ATOM 0 HG12 VAL A 70 -10.910 -0.147 4.587 1.00 24.33 H new ATOM 0 HG13 VAL A 70 -11.165 -1.534 3.501 1.00 24.33 H new ATOM 0 HG21 VAL A 70 -12.442 0.069 1.303 1.00 45.44 H new ATOM 0 HG22 VAL A 70 -13.096 -1.465 1.924 1.00 45.44 H new ATOM 0 HG23 VAL A 70 -14.123 -0.012 1.882 1.00 45.44 H new ATOM 1011 N SER A 71 -14.943 0.848 5.491 1.00 73.22 N ATOM 1012 CA SER A 71 -16.010 1.689 5.686 1.00 74.42 C ATOM 1013 C SER A 71 -15.704 3.053 5.066 1.00 42.53 C ATOM 1014 O SER A 71 -14.626 3.219 4.463 1.00 71.53 O ATOM 1015 CB SER A 71 -16.257 1.715 7.157 1.00 14.42 C ATOM 1016 OG SER A 71 -15.030 1.856 7.879 1.00 32.12 O ATOM 0 H SER A 71 -14.240 0.889 6.229 1.00 73.22 H new ATOM 0 HA SER A 71 -16.923 1.355 5.193 1.00 74.42 H new ATOM 0 HB2 SER A 71 -16.925 2.540 7.403 1.00 14.42 H new ATOM 0 HB3 SER A 71 -16.759 0.797 7.462 1.00 14.42 H new ATOM 0 HG SER A 71 -14.923 1.100 8.493 1.00 32.12 H new ATOM 1022 N PHE A 72 -16.633 4.007 5.196 1.00 31.52 N ATOM 1023 CA PHE A 72 -16.495 5.355 4.615 1.00 12.35 C ATOM 1024 C PHE A 72 -15.133 5.951 4.924 1.00 74.51 C ATOM 1025 O PHE A 72 -14.366 6.291 4.023 1.00 21.52 O ATOM 1026 CB PHE A 72 -17.575 6.303 5.170 1.00 22.32 C ATOM 1027 CG PHE A 72 -18.992 5.959 4.803 1.00 74.40 C ATOM 1028 CD1 PHE A 72 -19.714 5.028 5.537 1.00 10.21 C ATOM 1029 CD2 PHE A 72 -19.611 6.589 3.737 1.00 61.13 C ATOM 1030 CE1 PHE A 72 -21.022 4.733 5.211 1.00 52.14 C ATOM 1031 CE2 PHE A 72 -20.917 6.297 3.404 1.00 21.13 C ATOM 1032 CZ PHE A 72 -21.624 5.368 4.143 1.00 31.32 C ATOM 0 H PHE A 72 -17.505 3.870 5.707 1.00 31.52 H new ATOM 0 HA PHE A 72 -16.610 5.250 3.536 1.00 12.35 H new ATOM 0 HB2 PHE A 72 -17.494 6.320 6.257 1.00 22.32 H new ATOM 0 HB3 PHE A 72 -17.362 7.313 4.818 1.00 22.32 H new ATOM 0 HD1 PHE A 72 -19.247 4.529 6.373 1.00 10.21 H new ATOM 0 HD2 PHE A 72 -19.064 7.319 3.159 1.00 61.13 H new ATOM 0 HE1 PHE A 72 -21.574 4.007 5.790 1.00 52.14 H new ATOM 0 HE2 PHE A 72 -21.386 6.793 2.567 1.00 21.13 H new ATOM 0 HZ PHE A 72 -22.647 5.139 3.885 1.00 31.32 H new ATOM 1042 N ASP A 73 -14.815 5.999 6.189 1.00 33.32 N ATOM 1043 CA ASP A 73 -13.593 6.600 6.654 1.00 54.13 C ATOM 1044 C ASP A 73 -12.408 5.679 6.418 1.00 31.40 C ATOM 1045 O ASP A 73 -11.326 6.151 6.141 1.00 52.45 O ATOM 1046 CB ASP A 73 -13.699 6.967 8.139 1.00 31.03 C ATOM 1047 CG ASP A 73 -13.850 5.752 9.016 1.00 34.24 C ATOM 1048 OD1 ASP A 73 -14.819 4.989 8.820 1.00 40.10 O ATOM 1049 OD2 ASP A 73 -12.979 5.499 9.852 1.00 21.04 O ATOM 0 H ASP A 73 -15.401 5.619 6.933 1.00 33.32 H new ATOM 0 HA ASP A 73 -13.432 7.514 6.083 1.00 54.13 H new ATOM 0 HB2 ASP A 73 -12.810 7.521 8.439 1.00 31.03 H new ATOM 0 HB3 ASP A 73 -14.552 7.629 8.288 1.00 31.03 H new ATOM 1054 N ASN A 74 -12.621 4.353 6.464 1.00 52.41 N ATOM 1055 CA ASN A 74 -11.497 3.416 6.280 1.00 21.42 C ATOM 1056 C ASN A 74 -10.975 3.513 4.869 1.00 61.22 C ATOM 1057 O ASN A 74 -9.768 3.420 4.632 1.00 51.44 O ATOM 1058 CB ASN A 74 -11.866 1.948 6.537 1.00 10.21 C ATOM 1059 CG ASN A 74 -10.662 1.121 7.026 1.00 31.01 C ATOM 1060 OD1 ASN A 74 -10.815 0.153 7.769 1.00 11.21 O ATOM 1061 ND2 ASN A 74 -9.475 1.499 6.639 1.00 61.43 N ATOM 0 H ASN A 74 -13.529 3.915 6.621 1.00 52.41 H new ATOM 0 HA ASN A 74 -10.748 3.709 7.015 1.00 21.42 H new ATOM 0 HB2 ASN A 74 -12.663 1.900 7.279 1.00 10.21 H new ATOM 0 HB3 ASN A 74 -12.258 1.508 5.620 1.00 10.21 H new ATOM 0 HD21 ASN A 74 -8.650 0.989 6.953 1.00 61.43 H new ATOM 0 HD22 ASN A 74 -9.372 2.305 6.022 1.00 61.43 H new ATOM 1068 N TYR A 75 -11.880 3.675 3.934 1.00 32.34 N ATOM 1069 CA TYR A 75 -11.512 3.810 2.557 1.00 61.34 C ATOM 1070 C TYR A 75 -10.754 5.115 2.381 1.00 24.11 C ATOM 1071 O TYR A 75 -9.687 5.155 1.762 1.00 51.01 O ATOM 1072 CB TYR A 75 -12.758 3.792 1.668 1.00 0.23 C ATOM 1073 CG TYR A 75 -12.466 3.819 0.183 1.00 54.02 C ATOM 1074 CD1 TYR A 75 -12.050 4.981 -0.444 1.00 2.42 C ATOM 1075 CD2 TYR A 75 -12.610 2.691 -0.586 1.00 23.44 C ATOM 1076 CE1 TYR A 75 -11.790 5.020 -1.782 1.00 2.13 C ATOM 1077 CE2 TYR A 75 -12.350 2.720 -1.934 1.00 52.55 C ATOM 1078 CZ TYR A 75 -11.943 3.884 -2.530 1.00 35.22 C ATOM 1079 OH TYR A 75 -11.690 3.905 -3.881 1.00 73.14 O ATOM 0 H TYR A 75 -12.884 3.716 4.111 1.00 32.34 H new ATOM 0 HA TYR A 75 -10.877 2.974 2.263 1.00 61.34 H new ATOM 0 HB2 TYR A 75 -13.339 2.898 1.896 1.00 0.23 H new ATOM 0 HB3 TYR A 75 -13.381 4.650 1.919 1.00 0.23 H new ATOM 0 HD1 TYR A 75 -11.928 5.880 0.142 1.00 2.42 H new ATOM 0 HD2 TYR A 75 -12.932 1.769 -0.125 1.00 23.44 H new ATOM 0 HE1 TYR A 75 -11.466 5.939 -2.247 1.00 2.13 H new ATOM 0 HE2 TYR A 75 -12.467 1.824 -2.525 1.00 52.55 H new ATOM 0 HH TYR A 75 -11.848 3.014 -4.257 1.00 73.14 H new ATOM 1089 N VAL A 76 -11.294 6.173 2.952 1.00 4.31 N ATOM 1090 CA VAL A 76 -10.684 7.479 2.861 1.00 3.23 C ATOM 1091 C VAL A 76 -9.304 7.485 3.507 1.00 15.23 C ATOM 1092 O VAL A 76 -8.405 8.109 2.995 1.00 70.54 O ATOM 1093 CB VAL A 76 -11.600 8.585 3.427 1.00 61.30 C ATOM 1094 CG1 VAL A 76 -10.911 9.932 3.403 1.00 11.51 C ATOM 1095 CG2 VAL A 76 -12.864 8.653 2.596 1.00 21.54 C ATOM 0 H VAL A 76 -12.162 6.150 3.488 1.00 4.31 H new ATOM 0 HA VAL A 76 -10.548 7.707 1.804 1.00 3.23 H new ATOM 0 HB VAL A 76 -11.838 8.342 4.463 1.00 61.30 H new ATOM 0 HG11 VAL A 76 -11.581 10.691 3.808 1.00 11.51 H new ATOM 0 HG12 VAL A 76 -10.005 9.888 4.008 1.00 11.51 H new ATOM 0 HG13 VAL A 76 -10.650 10.189 2.376 1.00 11.51 H new ATOM 0 HG21 VAL A 76 -13.517 9.432 2.990 1.00 21.54 H new ATOM 0 HG22 VAL A 76 -12.608 8.883 1.562 1.00 21.54 H new ATOM 0 HG23 VAL A 76 -13.379 7.693 2.638 1.00 21.54 H new ATOM 1105 N GLN A 77 -9.150 6.724 4.570 1.00 42.32 N ATOM 1106 CA GLN A 77 -7.857 6.521 5.230 1.00 54.12 C ATOM 1107 C GLN A 77 -6.840 5.915 4.236 1.00 10.13 C ATOM 1108 O GLN A 77 -5.638 6.149 4.327 1.00 21.43 O ATOM 1109 CB GLN A 77 -8.038 5.572 6.416 1.00 70.53 C ATOM 1110 CG GLN A 77 -6.759 5.209 7.153 1.00 3.11 C ATOM 1111 CD GLN A 77 -6.955 4.045 8.099 1.00 21.13 C ATOM 1112 OE1 GLN A 77 -8.030 3.841 8.646 1.00 43.22 O ATOM 1113 NE2 GLN A 77 -5.932 3.250 8.267 1.00 24.02 N ATOM 0 H GLN A 77 -9.919 6.220 5.012 1.00 42.32 H new ATOM 0 HA GLN A 77 -7.480 7.482 5.580 1.00 54.12 H new ATOM 0 HB2 GLN A 77 -8.730 6.028 7.124 1.00 70.53 H new ATOM 0 HB3 GLN A 77 -8.506 4.655 6.059 1.00 70.53 H new ATOM 0 HG2 GLN A 77 -5.983 4.960 6.429 1.00 3.11 H new ATOM 0 HG3 GLN A 77 -6.406 6.075 7.713 1.00 3.11 H new ATOM 0 HE21 GLN A 77 -5.049 3.448 7.796 1.00 24.02 H new ATOM 0 HE22 GLN A 77 -6.016 2.431 8.869 1.00 24.02 H new ATOM 1122 N TYR A 78 -7.326 5.128 3.291 1.00 12.42 N ATOM 1123 CA TYR A 78 -6.453 4.569 2.297 1.00 0.35 C ATOM 1124 C TYR A 78 -6.285 5.544 1.142 1.00 74.23 C ATOM 1125 O TYR A 78 -5.316 5.509 0.446 1.00 71.11 O ATOM 1126 CB TYR A 78 -6.958 3.209 1.764 1.00 73.33 C ATOM 1127 CG TYR A 78 -6.090 2.675 0.628 1.00 62.42 C ATOM 1128 CD1 TYR A 78 -4.820 2.165 0.876 1.00 32.50 C ATOM 1129 CD2 TYR A 78 -6.525 2.728 -0.696 1.00 5.14 C ATOM 1130 CE1 TYR A 78 -4.012 1.720 -0.150 1.00 71.41 C ATOM 1131 CE2 TYR A 78 -5.720 2.278 -1.726 1.00 54.54 C ATOM 1132 CZ TYR A 78 -4.466 1.776 -1.446 1.00 34.43 C ATOM 1133 OH TYR A 78 -3.659 1.330 -2.469 1.00 4.12 O ATOM 0 H TYR A 78 -8.308 4.870 3.199 1.00 12.42 H new ATOM 0 HA TYR A 78 -5.491 4.393 2.778 1.00 0.35 H new ATOM 0 HB2 TYR A 78 -6.973 2.485 2.578 1.00 73.33 H new ATOM 0 HB3 TYR A 78 -7.985 3.317 1.414 1.00 73.33 H new ATOM 0 HD1 TYR A 78 -4.459 2.116 1.893 1.00 32.50 H new ATOM 0 HD2 TYR A 78 -7.504 3.126 -0.920 1.00 5.14 H new ATOM 0 HE1 TYR A 78 -3.028 1.330 0.064 1.00 71.41 H new ATOM 0 HE2 TYR A 78 -6.072 2.319 -2.746 1.00 54.54 H new ATOM 0 HH TYR A 78 -4.216 0.986 -3.199 1.00 4.12 H new ATOM 1143 N MET A 79 -7.256 6.385 0.940 1.00 23.45 N ATOM 1144 CA MET A 79 -7.233 7.302 -0.187 1.00 54.13 C ATOM 1145 C MET A 79 -6.561 8.659 0.151 1.00 54.44 C ATOM 1146 O MET A 79 -5.449 8.982 -0.340 1.00 34.33 O ATOM 1147 CB MET A 79 -8.666 7.514 -0.686 1.00 52.50 C ATOM 1148 CG MET A 79 -8.773 8.231 -2.020 1.00 21.21 C ATOM 1149 SD MET A 79 -7.946 7.349 -3.358 1.00 44.25 S ATOM 1150 CE MET A 79 -8.797 5.766 -3.333 1.00 44.11 C ATOM 0 H MET A 79 -8.080 6.464 1.536 1.00 23.45 H new ATOM 0 HA MET A 79 -6.624 6.853 -0.972 1.00 54.13 H new ATOM 0 HB2 MET A 79 -9.154 6.543 -0.770 1.00 52.50 H new ATOM 0 HB3 MET A 79 -9.217 8.084 0.063 1.00 52.50 H new ATOM 0 HG2 MET A 79 -9.825 8.362 -2.273 1.00 21.21 H new ATOM 0 HG3 MET A 79 -8.341 9.228 -1.927 1.00 21.21 H new ATOM 0 HE1 MET A 79 -8.351 5.102 -4.073 1.00 44.11 H new ATOM 0 HE2 MET A 79 -8.705 5.319 -2.343 1.00 44.11 H new ATOM 0 HE3 MET A 79 -9.851 5.916 -3.567 1.00 44.11 H new ATOM 1160 N LYS A 80 -7.197 9.418 1.030 1.00 24.14 N ATOM 1161 CA LYS A 80 -6.766 10.763 1.327 1.00 32.52 C ATOM 1162 C LYS A 80 -5.427 10.735 2.022 1.00 11.31 C ATOM 1163 O LYS A 80 -4.507 11.381 1.578 1.00 53.51 O ATOM 1164 CB LYS A 80 -7.785 11.527 2.179 1.00 3.23 C ATOM 1165 CG LYS A 80 -7.406 13.003 2.324 1.00 71.31 C ATOM 1166 CD LYS A 80 -8.117 13.704 3.463 1.00 15.43 C ATOM 1167 CE LYS A 80 -7.737 13.100 4.806 1.00 61.25 C ATOM 1168 NZ LYS A 80 -6.261 13.025 5.010 1.00 13.03 N ATOM 0 H LYS A 80 -8.020 9.116 1.551 1.00 24.14 H new ATOM 0 HA LYS A 80 -6.677 11.292 0.378 1.00 32.52 H new ATOM 0 HB2 LYS A 80 -8.772 11.447 1.724 1.00 3.23 H new ATOM 0 HB3 LYS A 80 -7.851 11.069 3.166 1.00 3.23 H new ATOM 0 HG2 LYS A 80 -6.330 13.079 2.477 1.00 71.31 H new ATOM 0 HG3 LYS A 80 -7.633 13.521 1.392 1.00 71.31 H new ATOM 0 HD2 LYS A 80 -7.865 14.764 3.454 1.00 15.43 H new ATOM 0 HD3 LYS A 80 -9.195 13.631 3.321 1.00 15.43 H new ATOM 0 HE2 LYS A 80 -8.180 13.695 5.605 1.00 61.25 H new ATOM 0 HE3 LYS A 80 -8.161 12.099 4.882 1.00 61.25 H new ATOM 0 HZ1 LYS A 80 -6.059 12.560 5.918 1.00 13.03 H new ATOM 0 HZ2 LYS A 80 -5.831 12.478 4.237 1.00 13.03 H new ATOM 0 HZ3 LYS A 80 -5.862 13.986 5.017 1.00 13.03 H new ATOM 1182 N GLU A 81 -5.327 9.958 3.101 1.00 12.15 N ATOM 1183 CA GLU A 81 -4.065 9.776 3.843 1.00 33.12 C ATOM 1184 C GLU A 81 -2.959 9.232 2.941 1.00 61.15 C ATOM 1185 O GLU A 81 -1.788 9.401 3.220 1.00 74.02 O ATOM 1186 CB GLU A 81 -4.247 8.825 5.048 1.00 13.54 C ATOM 1187 CG GLU A 81 -4.907 9.404 6.312 1.00 52.24 C ATOM 1188 CD GLU A 81 -6.241 10.070 6.087 1.00 42.34 C ATOM 1189 OE1 GLU A 81 -7.006 9.635 5.205 1.00 35.32 O ATOM 1190 OE2 GLU A 81 -6.501 11.101 6.740 1.00 33.55 O ATOM 0 H GLU A 81 -6.112 9.436 3.490 1.00 12.15 H new ATOM 0 HA GLU A 81 -3.776 10.761 4.208 1.00 33.12 H new ATOM 0 HB2 GLU A 81 -4.841 7.973 4.718 1.00 13.54 H new ATOM 0 HB3 GLU A 81 -3.265 8.441 5.326 1.00 13.54 H new ATOM 0 HG2 GLU A 81 -5.037 8.600 7.036 1.00 52.24 H new ATOM 0 HG3 GLU A 81 -4.227 10.129 6.759 1.00 52.24 H new ATOM 1197 N LYS A 82 -3.329 8.562 1.872 1.00 44.40 N ATOM 1198 CA LYS A 82 -2.341 8.052 0.949 1.00 23.21 C ATOM 1199 C LYS A 82 -1.810 9.195 0.101 1.00 54.20 C ATOM 1200 O LYS A 82 -0.660 9.163 -0.367 1.00 64.42 O ATOM 1201 CB LYS A 82 -2.936 6.997 0.040 1.00 53.44 C ATOM 1202 CG LYS A 82 -1.945 6.342 -0.882 1.00 41.21 C ATOM 1203 CD LYS A 82 -0.996 5.451 -0.117 1.00 4.02 C ATOM 1204 CE LYS A 82 0.377 5.535 -0.708 1.00 50.22 C ATOM 1205 NZ LYS A 82 0.988 6.876 -0.453 1.00 12.53 N ATOM 0 H LYS A 82 -4.297 8.359 1.622 1.00 44.40 H new ATOM 0 HA LYS A 82 -1.535 7.599 1.525 1.00 23.21 H new ATOM 0 HB2 LYS A 82 -3.406 6.229 0.654 1.00 53.44 H new ATOM 0 HB3 LYS A 82 -3.725 7.453 -0.559 1.00 53.44 H new ATOM 0 HG2 LYS A 82 -2.475 5.755 -1.632 1.00 41.21 H new ATOM 0 HG3 LYS A 82 -1.380 7.106 -1.416 1.00 41.21 H new ATOM 0 HD2 LYS A 82 -0.968 5.750 0.931 1.00 4.02 H new ATOM 0 HD3 LYS A 82 -1.350 4.420 -0.145 1.00 4.02 H new ATOM 0 HE2 LYS A 82 1.009 4.756 -0.281 1.00 50.22 H new ATOM 0 HE3 LYS A 82 0.327 5.352 -1.781 1.00 50.22 H new ATOM 0 HZ1 LYS A 82 1.574 7.151 -1.267 1.00 12.53 H new ATOM 0 HZ2 LYS A 82 0.235 7.580 -0.315 1.00 12.53 H new ATOM 0 HZ3 LYS A 82 1.581 6.831 0.400 1.00 12.53 H new ATOM 1219 N ASN A 83 -2.675 10.148 -0.161 1.00 13.21 N ATOM 1220 CA ASN A 83 -2.289 11.351 -0.887 1.00 31.44 C ATOM 1221 C ASN A 83 -1.522 12.338 0.017 1.00 31.20 C ATOM 1222 O ASN A 83 -0.509 12.894 -0.407 1.00 23.20 O ATOM 1223 CB ASN A 83 -3.527 12.027 -1.521 1.00 2.22 C ATOM 1224 CG ASN A 83 -3.228 13.312 -2.326 1.00 63.31 C ATOM 1225 OD1 ASN A 83 -4.063 14.199 -2.413 1.00 20.51 O ATOM 1226 ND2 ASN A 83 -2.058 13.415 -2.925 1.00 24.42 N ATOM 0 H ASN A 83 -3.656 10.119 0.116 1.00 13.21 H new ATOM 0 HA ASN A 83 -1.614 11.052 -1.689 1.00 31.44 H new ATOM 0 HB2 ASN A 83 -4.017 11.310 -2.179 1.00 2.22 H new ATOM 0 HB3 ASN A 83 -4.236 12.269 -0.729 1.00 2.22 H new ATOM 0 HD21 ASN A 83 -1.837 14.246 -3.473 1.00 24.42 H new ATOM 0 HD22 ASN A 83 -1.374 12.663 -2.840 1.00 24.42 H new ATOM 1345 N LEU A 92 11.177 4.004 -3.153 1.00 11.13 N ATOM 1346 CA LEU A 92 11.570 2.615 -2.974 1.00 2.50 C ATOM 1347 C LEU A 92 12.005 2.040 -4.314 1.00 70.20 C ATOM 1348 O LEU A 92 12.673 1.030 -4.381 1.00 63.15 O ATOM 1349 CB LEU A 92 10.428 1.792 -2.342 1.00 31.41 C ATOM 1350 CG LEU A 92 10.723 0.322 -2.016 1.00 50.54 C ATOM 1351 CD1 LEU A 92 11.819 0.207 -0.973 1.00 52.44 C ATOM 1352 CD2 LEU A 92 9.463 -0.381 -1.544 1.00 74.14 C ATOM 0 HA LEU A 92 12.412 2.564 -2.284 1.00 2.50 H new ATOM 0 HB2 LEU A 92 10.123 2.288 -1.421 1.00 31.41 H new ATOM 0 HB3 LEU A 92 9.574 1.824 -3.018 1.00 31.41 H new ATOM 0 HG LEU A 92 11.071 -0.164 -2.927 1.00 50.54 H new ATOM 0 HD11 LEU A 92 12.009 -0.845 -0.760 1.00 52.44 H new ATOM 0 HD12 LEU A 92 12.730 0.671 -1.350 1.00 52.44 H new ATOM 0 HD13 LEU A 92 11.506 0.712 -0.059 1.00 52.44 H new ATOM 0 HD21 LEU A 92 9.691 -1.423 -1.317 1.00 74.14 H new ATOM 0 HD22 LEU A 92 9.086 0.111 -0.648 1.00 74.14 H new ATOM 0 HD23 LEU A 92 8.707 -0.337 -2.328 1.00 74.14 H new ATOM 1364 N ASN A 93 11.605 2.688 -5.377 1.00 73.34 N ATOM 1365 CA ASN A 93 12.045 2.288 -6.687 1.00 42.04 C ATOM 1366 C ASN A 93 13.328 3.034 -7.040 1.00 31.33 C ATOM 1367 O ASN A 93 14.190 2.511 -7.744 1.00 64.31 O ATOM 1368 CB ASN A 93 10.951 2.561 -7.738 1.00 53.41 C ATOM 1369 CG ASN A 93 11.350 2.144 -9.154 1.00 54.12 C ATOM 1370 OD1 ASN A 93 11.884 2.923 -9.924 1.00 1.34 O ATOM 1371 ND2 ASN A 93 11.085 0.906 -9.503 1.00 13.14 N ATOM 0 H ASN A 93 10.978 3.492 -5.361 1.00 73.34 H new ATOM 0 HA ASN A 93 12.243 1.216 -6.684 1.00 42.04 H new ATOM 0 HB2 ASN A 93 10.043 2.029 -7.453 1.00 53.41 H new ATOM 0 HB3 ASN A 93 10.712 3.624 -7.734 1.00 53.41 H new ATOM 0 HD21 ASN A 93 11.327 0.577 -10.438 1.00 13.14 H new ATOM 0 HD22 ASN A 93 10.637 0.274 -8.839 1.00 13.14 H new ATOM 1378 N GLU A 94 13.489 4.222 -6.472 1.00 32.00 N ATOM 1379 CA GLU A 94 14.587 5.088 -6.850 1.00 25.34 C ATOM 1380 C GLU A 94 15.818 4.855 -5.964 1.00 52.10 C ATOM 1381 O GLU A 94 16.771 4.149 -6.350 1.00 21.02 O ATOM 1382 CB GLU A 94 14.133 6.545 -6.724 1.00 33.15 C ATOM 1383 CG GLU A 94 12.905 6.893 -7.552 1.00 75.43 C ATOM 1384 CD GLU A 94 12.361 8.260 -7.212 1.00 13.35 C ATOM 1385 OE1 GLU A 94 12.887 9.258 -7.722 1.00 51.53 O ATOM 1386 OE2 GLU A 94 11.417 8.337 -6.387 1.00 42.23 O ATOM 0 H GLU A 94 12.875 4.602 -5.752 1.00 32.00 H new ATOM 0 HA GLU A 94 14.869 4.863 -7.879 1.00 25.34 H new ATOM 0 HB2 GLU A 94 13.922 6.758 -5.676 1.00 33.15 H new ATOM 0 HB3 GLU A 94 14.954 7.196 -7.023 1.00 33.15 H new ATOM 0 HG2 GLU A 94 13.160 6.858 -8.611 1.00 75.43 H new ATOM 0 HG3 GLU A 94 12.131 6.143 -7.385 1.00 75.43 H new ATOM 1393 N ILE A 95 15.711 5.312 -4.723 1.00 70.43 N ATOM 1394 CA ILE A 95 16.810 5.314 -3.766 1.00 13.10 C ATOM 1395 C ILE A 95 17.250 3.924 -3.431 1.00 44.30 C ATOM 1396 O ILE A 95 18.439 3.656 -3.330 1.00 42.03 O ATOM 1397 CB ILE A 95 16.445 6.114 -2.477 1.00 3.34 C ATOM 1398 CG1 ILE A 95 16.305 7.606 -2.802 1.00 52.12 C ATOM 1399 CG2 ILE A 95 17.464 5.895 -1.351 1.00 23.11 C ATOM 1400 CD1 ILE A 95 17.584 8.240 -3.328 1.00 13.25 C ATOM 0 H ILE A 95 14.845 5.698 -4.347 1.00 70.43 H new ATOM 0 HA ILE A 95 17.650 5.820 -4.242 1.00 13.10 H new ATOM 0 HB ILE A 95 15.488 5.737 -2.116 1.00 3.34 H new ATOM 0 HG12 ILE A 95 15.515 7.735 -3.542 1.00 52.12 H new ATOM 0 HG13 ILE A 95 15.990 8.137 -1.903 1.00 52.12 H new ATOM 0 HG21 ILE A 95 17.168 6.472 -0.475 1.00 23.11 H new ATOM 0 HG22 ILE A 95 17.500 4.836 -1.093 1.00 23.11 H new ATOM 0 HG23 ILE A 95 18.450 6.221 -1.684 1.00 23.11 H new ATOM 0 HD11 ILE A 95 17.408 9.295 -3.536 1.00 13.25 H new ATOM 0 HD12 ILE A 95 18.372 8.143 -2.581 1.00 13.25 H new ATOM 0 HD13 ILE A 95 17.890 7.736 -4.245 1.00 13.25 H new ATOM 1412 N PHE A 96 16.307 3.034 -3.342 1.00 60.33 N ATOM 1413 CA PHE A 96 16.587 1.650 -3.024 1.00 31.31 C ATOM 1414 C PHE A 96 17.481 1.034 -4.112 1.00 44.10 C ATOM 1415 O PHE A 96 18.386 0.259 -3.813 1.00 62.23 O ATOM 1416 CB PHE A 96 15.271 0.903 -2.895 1.00 74.12 C ATOM 1417 CG PHE A 96 15.349 -0.505 -2.383 1.00 42.53 C ATOM 1418 CD1 PHE A 96 15.272 -0.754 -1.029 1.00 64.31 C ATOM 1419 CD2 PHE A 96 15.462 -1.576 -3.256 1.00 21.24 C ATOM 1420 CE1 PHE A 96 15.306 -2.044 -0.546 1.00 1.12 C ATOM 1421 CE2 PHE A 96 15.505 -2.869 -2.778 1.00 53.01 C ATOM 1422 CZ PHE A 96 15.425 -3.102 -1.421 1.00 13.11 C ATOM 0 H PHE A 96 15.318 3.239 -3.487 1.00 60.33 H new ATOM 0 HA PHE A 96 17.124 1.579 -2.078 1.00 31.31 H new ATOM 0 HB2 PHE A 96 14.619 1.472 -2.232 1.00 74.12 H new ATOM 0 HB3 PHE A 96 14.792 0.884 -3.874 1.00 74.12 H new ATOM 0 HD1 PHE A 96 15.184 0.072 -0.339 1.00 64.31 H new ATOM 0 HD2 PHE A 96 15.517 -1.396 -4.320 1.00 21.24 H new ATOM 0 HE1 PHE A 96 15.240 -2.226 0.517 1.00 1.12 H new ATOM 0 HE2 PHE A 96 15.601 -3.697 -3.465 1.00 53.01 H new ATOM 0 HZ PHE A 96 15.456 -4.114 -1.044 1.00 13.11 H new ATOM 1432 N SER A 97 17.301 1.480 -5.352 1.00 53.01 N ATOM 1433 CA SER A 97 18.074 0.958 -6.456 1.00 61.11 C ATOM 1434 C SER A 97 19.415 1.693 -6.541 1.00 72.31 C ATOM 1435 O SER A 97 20.321 1.286 -7.254 1.00 52.24 O ATOM 1436 CB SER A 97 17.282 1.109 -7.751 1.00 62.21 C ATOM 1437 OG SER A 97 16.005 0.498 -7.621 1.00 25.00 O ATOM 0 H SER A 97 16.626 2.200 -5.609 1.00 53.01 H new ATOM 0 HA SER A 97 18.275 -0.102 -6.298 1.00 61.11 H new ATOM 0 HB2 SER A 97 17.165 2.165 -7.993 1.00 62.21 H new ATOM 0 HB3 SER A 97 17.829 0.652 -8.576 1.00 62.21 H new ATOM 0 HG SER A 97 15.305 1.174 -7.737 1.00 25.00 H new ATOM 1443 N THR A 98 19.525 2.766 -5.784 1.00 1.12 N ATOM 1444 CA THR A 98 20.726 3.542 -5.730 1.00 65.22 C ATOM 1445 C THR A 98 21.641 2.979 -4.626 1.00 10.00 C ATOM 1446 O THR A 98 22.852 2.900 -4.778 1.00 24.03 O ATOM 1447 CB THR A 98 20.381 5.016 -5.416 1.00 13.13 C ATOM 1448 OG1 THR A 98 19.352 5.461 -6.316 1.00 32.21 O ATOM 1449 CG2 THR A 98 21.602 5.915 -5.575 1.00 60.25 C ATOM 0 H THR A 98 18.774 3.118 -5.190 1.00 1.12 H new ATOM 0 HA THR A 98 21.237 3.492 -6.692 1.00 65.22 H new ATOM 0 HB THR A 98 20.040 5.076 -4.383 1.00 13.13 H new ATOM 0 HG1 THR A 98 18.514 4.997 -6.110 1.00 32.21 H new ATOM 0 HG21 THR A 98 21.328 6.945 -5.347 1.00 60.25 H new ATOM 0 HG22 THR A 98 22.386 5.589 -4.891 1.00 60.25 H new ATOM 0 HG23 THR A 98 21.967 5.855 -6.600 1.00 60.25 H new ATOM 1457 N ILE A 99 21.032 2.557 -3.528 1.00 43.31 N ATOM 1458 CA ILE A 99 21.784 2.081 -2.383 1.00 54.31 C ATOM 1459 C ILE A 99 22.079 0.622 -2.371 1.00 72.21 C ATOM 1460 O ILE A 99 23.152 0.230 -1.945 1.00 0.24 O ATOM 1461 CB ILE A 99 21.159 2.439 -1.053 1.00 13.34 C ATOM 1462 CG1 ILE A 99 19.658 2.098 -0.989 1.00 13.23 C ATOM 1463 CG2 ILE A 99 21.444 3.859 -0.706 1.00 41.13 C ATOM 1464 CD1 ILE A 99 18.971 2.500 0.303 1.00 73.34 C ATOM 0 H ILE A 99 20.019 2.536 -3.408 1.00 43.31 H new ATOM 0 HA ILE A 99 22.726 2.614 -2.509 1.00 54.31 H new ATOM 0 HB ILE A 99 21.625 1.815 -0.291 1.00 13.34 H new ATOM 0 HG12 ILE A 99 19.152 2.588 -1.821 1.00 13.23 H new ATOM 0 HG13 ILE A 99 19.537 1.024 -1.130 1.00 13.23 H new ATOM 0 HG21 ILE A 99 20.986 4.098 0.254 1.00 41.13 H new ATOM 0 HG22 ILE A 99 22.522 4.008 -0.641 1.00 41.13 H new ATOM 0 HG23 ILE A 99 21.033 4.511 -1.476 1.00 41.13 H new ATOM 0 HD11 ILE A 99 17.918 2.221 0.257 1.00 73.34 H new ATOM 0 HD12 ILE A 99 19.446 1.990 1.141 1.00 73.34 H new ATOM 0 HD13 ILE A 99 19.055 3.578 0.439 1.00 73.34 H new ATOM 1476 N ALA A 100 21.158 -0.194 -2.840 1.00 43.03 N ATOM 1477 CA ALA A 100 21.324 -1.644 -2.770 1.00 22.41 C ATOM 1478 C ALA A 100 22.268 -2.161 -3.851 1.00 62.44 C ATOM 1479 O ALA A 100 22.481 -3.371 -4.009 1.00 33.44 O ATOM 1480 CB ALA A 100 19.984 -2.314 -2.819 1.00 42.23 C ATOM 0 H ALA A 100 20.287 0.113 -3.274 1.00 43.03 H new ATOM 0 HA ALA A 100 21.793 -1.893 -1.818 1.00 22.41 H new ATOM 0 HB1 ALA A 100 20.115 -3.395 -2.766 1.00 42.23 H new ATOM 0 HB2 ALA A 100 19.379 -1.981 -1.976 1.00 42.23 H new ATOM 0 HB3 ALA A 100 19.481 -2.055 -3.751 1.00 42.23 H new ATOM 1486 N ALA A 101 22.854 -1.216 -4.525 1.00 53.21 N ATOM 1487 CA ALA A 101 23.802 -1.382 -5.575 1.00 44.24 C ATOM 1488 C ALA A 101 24.963 -2.304 -5.167 1.00 30.21 C ATOM 1489 O ALA A 101 25.837 -1.919 -4.387 1.00 35.40 O ATOM 1490 CB ALA A 101 24.323 0.000 -5.918 1.00 42.00 C ATOM 0 H ALA A 101 22.662 -0.232 -4.335 1.00 53.21 H new ATOM 0 HA ALA A 101 23.324 -1.855 -6.433 1.00 44.24 H new ATOM 0 HB1 ALA A 101 25.056 -0.076 -6.721 1.00 42.00 H new ATOM 0 HB2 ALA A 101 23.495 0.631 -6.241 1.00 42.00 H new ATOM 0 HB3 ALA A 101 24.793 0.440 -5.039 1.00 42.00 H new ATOM 1496 N GLY A 102 24.903 -3.540 -5.629 1.00 13.31 N ATOM 1497 CA GLY A 102 25.996 -4.468 -5.436 1.00 41.11 C ATOM 1498 C GLY A 102 25.912 -5.283 -4.162 1.00 13.41 C ATOM 1499 O GLY A 102 26.812 -6.062 -3.872 1.00 72.13 O ATOM 0 H GLY A 102 24.107 -3.922 -6.140 1.00 13.31 H new ATOM 0 HA2 GLY A 102 26.032 -5.149 -6.286 1.00 41.11 H new ATOM 0 HA3 GLY A 102 26.933 -3.911 -5.435 1.00 41.11 H new ATOM 1503 N LYS A 103 24.854 -5.120 -3.396 1.00 50.22 N ATOM 1504 CA LYS A 103 24.739 -5.879 -2.159 1.00 24.23 C ATOM 1505 C LYS A 103 23.631 -6.907 -2.286 1.00 22.15 C ATOM 1506 O LYS A 103 22.950 -6.943 -3.301 1.00 71.42 O ATOM 1507 CB LYS A 103 24.515 -4.936 -0.957 1.00 65.41 C ATOM 1508 CG LYS A 103 23.181 -4.200 -0.945 1.00 14.24 C ATOM 1509 CD LYS A 103 23.156 -3.088 0.107 1.00 22.14 C ATOM 1510 CE LYS A 103 24.133 -1.966 -0.247 1.00 75.34 C ATOM 1511 NZ LYS A 103 24.092 -0.854 0.714 1.00 31.10 N ATOM 0 H LYS A 103 24.078 -4.488 -3.596 1.00 50.22 H new ATOM 0 HA LYS A 103 25.673 -6.411 -1.977 1.00 24.23 H new ATOM 0 HB2 LYS A 103 24.598 -5.518 -0.039 1.00 65.41 H new ATOM 0 HB3 LYS A 103 25.318 -4.199 -0.940 1.00 65.41 H new ATOM 0 HG2 LYS A 103 22.992 -3.773 -1.930 1.00 14.24 H new ATOM 0 HG3 LYS A 103 22.377 -4.908 -0.745 1.00 14.24 H new ATOM 0 HD2 LYS A 103 22.147 -2.683 0.187 1.00 22.14 H new ATOM 0 HD3 LYS A 103 23.412 -3.502 1.083 1.00 22.14 H new ATOM 0 HE2 LYS A 103 25.145 -2.370 -0.286 1.00 75.34 H new ATOM 0 HE3 LYS A 103 23.901 -1.589 -1.243 1.00 75.34 H new ATOM 0 HZ1 LYS A 103 24.902 -0.223 0.549 1.00 31.10 H new ATOM 0 HZ2 LYS A 103 23.207 -0.321 0.591 1.00 31.10 H new ATOM 0 HZ3 LYS A 103 24.137 -1.230 1.682 1.00 31.10 H new ATOM 1525 N ASP A 104 23.484 -7.765 -1.302 1.00 52.32 N ATOM 1526 CA ASP A 104 22.384 -8.727 -1.292 1.00 22.12 C ATOM 1527 C ASP A 104 21.399 -8.325 -0.189 1.00 64.03 C ATOM 1528 O ASP A 104 20.171 -8.378 -0.363 1.00 35.01 O ATOM 1529 CB ASP A 104 22.905 -10.176 -1.043 1.00 51.30 C ATOM 1530 CG ASP A 104 23.324 -10.432 0.401 1.00 23.50 C ATOM 1531 OD1 ASP A 104 24.108 -9.630 0.954 1.00 4.01 O ATOM 1532 OD2 ASP A 104 22.819 -11.396 1.019 1.00 41.11 O ATOM 0 H ASP A 104 24.106 -7.823 -0.496 1.00 52.32 H new ATOM 0 HA ASP A 104 21.890 -8.718 -2.263 1.00 22.12 H new ATOM 0 HB2 ASP A 104 22.125 -10.886 -1.318 1.00 51.30 H new ATOM 0 HB3 ASP A 104 23.755 -10.366 -1.699 1.00 51.30 H new ATOM 1537 N SER A 105 21.958 -7.898 0.923 1.00 44.45 N ATOM 1538 CA SER A 105 21.223 -7.505 2.075 1.00 75.11 C ATOM 1539 C SER A 105 21.317 -5.997 2.279 1.00 25.44 C ATOM 1540 O SER A 105 22.411 -5.432 2.353 1.00 64.24 O ATOM 1541 CB SER A 105 21.793 -8.236 3.287 1.00 45.01 C ATOM 1542 OG SER A 105 21.846 -9.633 3.053 1.00 3.40 O ATOM 0 H SER A 105 22.968 -7.818 1.040 1.00 44.45 H new ATOM 0 HA SER A 105 20.172 -7.763 1.945 1.00 75.11 H new ATOM 0 HB2 SER A 105 22.793 -7.861 3.506 1.00 45.01 H new ATOM 0 HB3 SER A 105 21.177 -8.033 4.163 1.00 45.01 H new ATOM 0 HG SER A 105 22.216 -10.083 3.841 1.00 3.40 H new ATOM 1548 N ILE A 106 20.186 -5.359 2.340 1.00 3.15 N ATOM 1549 CA ILE A 106 20.112 -3.941 2.578 1.00 51.53 C ATOM 1550 C ILE A 106 19.673 -3.667 4.034 1.00 42.33 C ATOM 1551 O ILE A 106 18.587 -4.038 4.445 1.00 24.32 O ATOM 1552 CB ILE A 106 19.198 -3.244 1.520 1.00 53.35 C ATOM 1553 CG1 ILE A 106 19.026 -1.789 1.844 1.00 2.34 C ATOM 1554 CG2 ILE A 106 17.827 -3.913 1.422 1.00 5.22 C ATOM 1555 CD1 ILE A 106 18.444 -0.986 0.714 1.00 32.20 C ATOM 0 H ILE A 106 19.278 -5.809 2.225 1.00 3.15 H new ATOM 0 HA ILE A 106 21.103 -3.503 2.457 1.00 51.53 H new ATOM 0 HB ILE A 106 19.694 -3.344 0.555 1.00 53.35 H new ATOM 0 HG12 ILE A 106 18.380 -1.694 2.717 1.00 2.34 H new ATOM 0 HG13 ILE A 106 19.994 -1.369 2.116 1.00 2.34 H new ATOM 0 HG21 ILE A 106 17.223 -3.397 0.675 1.00 5.22 H new ATOM 0 HG22 ILE A 106 17.951 -4.956 1.131 1.00 5.22 H new ATOM 0 HG23 ILE A 106 17.328 -3.863 2.390 1.00 5.22 H new ATOM 0 HD11 ILE A 106 18.348 0.056 1.020 1.00 32.20 H new ATOM 0 HD12 ILE A 106 19.100 -1.051 -0.154 1.00 32.20 H new ATOM 0 HD13 ILE A 106 17.461 -1.380 0.456 1.00 32.20 H new ATOM 1567 N THR A 107 20.545 -3.071 4.805 1.00 51.11 N ATOM 1568 CA THR A 107 20.323 -2.872 6.228 1.00 33.04 C ATOM 1569 C THR A 107 19.440 -1.645 6.532 1.00 23.52 C ATOM 1570 O THR A 107 19.270 -0.749 5.659 1.00 34.32 O ATOM 1571 CB THR A 107 21.689 -2.734 6.936 1.00 34.02 C ATOM 1572 OG1 THR A 107 22.497 -1.765 6.240 1.00 44.41 O ATOM 1573 CG2 THR A 107 22.429 -4.067 6.963 1.00 55.53 C ATOM 0 H THR A 107 21.436 -2.705 4.469 1.00 51.11 H new ATOM 0 HA THR A 107 19.783 -3.741 6.604 1.00 33.04 H new ATOM 0 HB THR A 107 21.509 -2.411 7.961 1.00 34.02 H new ATOM 0 HG1 THR A 107 23.363 -1.677 6.691 1.00 44.41 H new ATOM 0 HG21 THR A 107 23.387 -3.941 7.467 1.00 55.53 H new ATOM 0 HG22 THR A 107 21.831 -4.804 7.499 1.00 55.53 H new ATOM 0 HG23 THR A 107 22.598 -4.410 5.942 1.00 55.53 H new ATOM 1581 N GLU A 108 18.902 -1.594 7.772 1.00 31.52 N ATOM 1582 CA GLU A 108 18.084 -0.467 8.255 1.00 42.31 C ATOM 1583 C GLU A 108 18.778 0.820 7.958 1.00 54.05 C ATOM 1584 O GLU A 108 18.245 1.703 7.257 1.00 61.52 O ATOM 1585 CB GLU A 108 17.914 -0.518 9.779 1.00 5.23 C ATOM 1586 CG GLU A 108 17.508 0.850 10.359 1.00 55.34 C ATOM 1587 CD GLU A 108 18.328 1.252 11.562 1.00 64.15 C ATOM 1588 OE1 GLU A 108 19.386 1.922 11.347 1.00 63.41 O ATOM 1589 OE2 GLU A 108 17.928 0.963 12.691 1.00 3.42 O ATOM 0 H GLU A 108 19.025 -2.334 8.463 1.00 31.52 H new ATOM 0 HA GLU A 108 17.116 -0.536 7.758 1.00 42.31 H new ATOM 0 HB2 GLU A 108 17.157 -1.260 10.035 1.00 5.23 H new ATOM 0 HB3 GLU A 108 18.848 -0.844 10.238 1.00 5.23 H new ATOM 0 HG2 GLU A 108 17.612 1.611 9.585 1.00 55.34 H new ATOM 0 HG3 GLU A 108 16.455 0.821 10.638 1.00 55.34 H new ATOM 1596 N THR A 109 19.974 0.902 8.490 1.00 21.24 N ATOM 1597 CA THR A 109 20.798 2.031 8.404 1.00 30.41 C ATOM 1598 C THR A 109 21.058 2.394 6.958 1.00 0.52 C ATOM 1599 O THR A 109 21.160 3.549 6.644 1.00 72.52 O ATOM 1600 CB THR A 109 22.111 1.741 9.130 1.00 30.30 C ATOM 1601 OG1 THR A 109 21.833 1.313 10.472 1.00 53.31 O ATOM 1602 CG2 THR A 109 23.039 2.955 9.148 1.00 63.25 C ATOM 0 H THR A 109 20.397 0.135 9.014 1.00 21.24 H new ATOM 0 HA THR A 109 20.301 2.880 8.874 1.00 30.41 H new ATOM 0 HB THR A 109 22.625 0.949 8.586 1.00 30.30 H new ATOM 0 HG1 THR A 109 20.966 1.670 10.756 1.00 53.31 H new ATOM 0 HG21 THR A 109 23.959 2.702 9.674 1.00 63.25 H new ATOM 0 HG22 THR A 109 23.275 3.248 8.125 1.00 63.25 H new ATOM 0 HG23 THR A 109 22.546 3.783 9.658 1.00 63.25 H new ATOM 1610 N ASP A 110 21.061 1.410 6.063 1.00 61.20 N ATOM 1611 CA ASP A 110 21.354 1.686 4.679 1.00 60.33 C ATOM 1612 C ASP A 110 20.165 2.357 4.034 1.00 62.00 C ATOM 1613 O ASP A 110 20.321 3.251 3.196 1.00 53.41 O ATOM 1614 CB ASP A 110 21.744 0.428 3.914 1.00 41.14 C ATOM 1615 CG ASP A 110 22.290 0.756 2.552 1.00 73.22 C ATOM 1616 OD1 ASP A 110 23.212 1.607 2.459 1.00 50.34 O ATOM 1617 OD2 ASP A 110 21.855 0.160 1.563 1.00 24.24 O ATOM 0 H ASP A 110 20.866 0.432 6.276 1.00 61.20 H new ATOM 0 HA ASP A 110 22.213 2.356 4.643 1.00 60.33 H new ATOM 0 HB2 ASP A 110 22.490 -0.127 4.482 1.00 41.14 H new ATOM 0 HB3 ASP A 110 20.874 -0.221 3.811 1.00 41.14 H new ATOM 1622 N MET A 111 18.986 1.965 4.468 1.00 30.52 N ATOM 1623 CA MET A 111 17.753 2.562 3.980 1.00 14.25 C ATOM 1624 C MET A 111 17.467 3.915 4.608 1.00 21.32 C ATOM 1625 O MET A 111 17.533 4.930 3.921 1.00 12.33 O ATOM 1626 CB MET A 111 16.552 1.649 4.180 1.00 42.25 C ATOM 1627 CG MET A 111 16.570 0.412 3.326 1.00 4.41 C ATOM 1628 SD MET A 111 15.130 -0.628 3.579 1.00 32.10 S ATOM 1629 CE MET A 111 15.344 -1.071 5.296 1.00 23.12 C ATOM 0 H MET A 111 18.851 1.230 5.163 1.00 30.52 H new ATOM 0 HA MET A 111 17.910 2.707 2.911 1.00 14.25 H new ATOM 0 HB2 MET A 111 16.505 1.353 5.228 1.00 42.25 H new ATOM 0 HB3 MET A 111 15.643 2.211 3.967 1.00 42.25 H new ATOM 0 HG2 MET A 111 16.624 0.701 2.276 1.00 4.41 H new ATOM 0 HG3 MET A 111 17.470 -0.162 3.545 1.00 4.41 H new ATOM 0 HE1 MET A 111 14.658 -1.879 5.552 1.00 23.12 H new ATOM 0 HE2 MET A 111 16.370 -1.400 5.462 1.00 23.12 H new ATOM 0 HE3 MET A 111 15.135 -0.205 5.924 1.00 23.12 H new ATOM 1639 N GLN A 112 17.197 3.944 5.919 1.00 31.43 N ATOM 1640 CA GLN A 112 16.746 5.189 6.567 1.00 64.51 C ATOM 1641 C GLN A 112 17.763 6.296 6.525 1.00 33.20 C ATOM 1642 O GLN A 112 17.393 7.459 6.416 1.00 33.55 O ATOM 1643 CB GLN A 112 16.173 5.000 7.976 1.00 24.25 C ATOM 1644 CG GLN A 112 17.069 4.298 8.972 1.00 63.32 C ATOM 1645 CD GLN A 112 16.445 4.266 10.358 1.00 54.24 C ATOM 1646 OE1 GLN A 112 15.225 4.290 10.501 1.00 52.13 O ATOM 1647 NE2 GLN A 112 17.256 4.148 11.369 1.00 62.30 N ATOM 0 H GLN A 112 17.279 3.141 6.543 1.00 31.43 H new ATOM 0 HA GLN A 112 15.909 5.508 5.946 1.00 64.51 H new ATOM 0 HB2 GLN A 112 15.918 5.981 8.377 1.00 24.25 H new ATOM 0 HB3 GLN A 112 15.243 4.437 7.895 1.00 24.25 H new ATOM 0 HG2 GLN A 112 17.261 3.279 8.635 1.00 63.32 H new ATOM 0 HG3 GLN A 112 18.032 4.806 9.017 1.00 63.32 H new ATOM 0 HE21 GLN A 112 18.264 4.131 11.215 1.00 62.30 H new ATOM 0 HE22 GLN A 112 16.883 4.072 12.315 1.00 62.30 H new ATOM 1656 N LYS A 113 19.049 5.960 6.602 1.00 23.33 N ATOM 1657 CA LYS A 113 20.063 7.033 6.452 1.00 64.22 C ATOM 1658 C LYS A 113 19.965 7.696 5.053 1.00 13.32 C ATOM 1659 O LYS A 113 20.135 8.883 4.909 1.00 0.44 O ATOM 1660 CB LYS A 113 21.534 6.573 6.798 1.00 21.53 C ATOM 1661 CG LYS A 113 22.567 6.464 5.628 1.00 55.55 C ATOM 1662 CD LYS A 113 22.239 5.349 4.640 1.00 41.51 C ATOM 1663 CE LYS A 113 23.256 5.233 3.527 1.00 54.43 C ATOM 1664 NZ LYS A 113 22.868 4.193 2.533 1.00 1.55 N ATOM 0 H LYS A 113 19.411 5.019 6.757 1.00 23.33 H new ATOM 0 HA LYS A 113 19.825 7.788 7.201 1.00 64.22 H new ATOM 0 HB2 LYS A 113 21.936 7.269 7.534 1.00 21.53 H new ATOM 0 HB3 LYS A 113 21.473 5.598 7.281 1.00 21.53 H new ATOM 0 HG2 LYS A 113 22.604 7.414 5.095 1.00 55.55 H new ATOM 0 HG3 LYS A 113 23.560 6.292 6.043 1.00 55.55 H new ATOM 0 HD2 LYS A 113 22.183 4.401 5.175 1.00 41.51 H new ATOM 0 HD3 LYS A 113 21.254 5.530 4.209 1.00 41.51 H new ATOM 0 HE2 LYS A 113 23.358 6.195 3.026 1.00 54.43 H new ATOM 0 HE3 LYS A 113 24.231 4.988 3.949 1.00 54.43 H new ATOM 0 HZ1 LYS A 113 23.054 4.545 1.572 1.00 1.55 H new ATOM 0 HZ2 LYS A 113 23.424 3.330 2.699 1.00 1.55 H new ATOM 0 HZ3 LYS A 113 21.855 3.978 2.633 1.00 1.55 H new ATOM 1678 N ALA A 114 19.558 6.923 4.056 1.00 43.10 N ATOM 1679 CA ALA A 114 19.518 7.390 2.673 1.00 23.01 C ATOM 1680 C ALA A 114 18.229 8.149 2.382 1.00 53.44 C ATOM 1681 O ALA A 114 17.831 8.287 1.236 1.00 11.14 O ATOM 1682 CB ALA A 114 19.667 6.210 1.727 1.00 41.42 C ATOM 0 H ALA A 114 19.247 5.959 4.179 1.00 43.10 H new ATOM 0 HA ALA A 114 20.348 8.079 2.519 1.00 23.01 H new ATOM 0 HB1 ALA A 114 19.636 6.564 0.696 1.00 41.42 H new ATOM 0 HB2 ALA A 114 20.619 5.713 1.912 1.00 41.42 H new ATOM 0 HB3 ALA A 114 18.852 5.505 1.893 1.00 41.42 H new ATOM 1688 N GLY A 115 17.624 8.668 3.424 1.00 23.53 N ATOM 1689 CA GLY A 115 16.384 9.420 3.284 1.00 41.11 C ATOM 1690 C GLY A 115 15.130 8.558 3.128 1.00 13.55 C ATOM 1691 O GLY A 115 14.035 9.090 2.977 1.00 14.43 O ATOM 0 H GLY A 115 17.965 8.587 4.382 1.00 23.53 H new ATOM 0 HA2 GLY A 115 16.262 10.060 4.158 1.00 41.11 H new ATOM 0 HA3 GLY A 115 16.468 10.076 2.417 1.00 41.11 H new ATOM 1695 N MET A 116 15.282 7.244 3.173 1.00 60.21 N ATOM 1696 CA MET A 116 14.137 6.340 3.048 1.00 31.42 C ATOM 1697 C MET A 116 13.337 6.357 4.334 1.00 3.31 C ATOM 1698 O MET A 116 13.857 6.020 5.400 1.00 74.12 O ATOM 1699 CB MET A 116 14.584 4.915 2.713 1.00 64.35 C ATOM 1700 CG MET A 116 15.177 4.740 1.314 1.00 2.30 C ATOM 1701 SD MET A 116 13.971 4.981 -0.014 1.00 11.31 S ATOM 1702 CE MET A 116 12.768 3.714 0.373 1.00 34.21 C ATOM 0 H MET A 116 16.180 6.776 3.294 1.00 60.21 H new ATOM 0 HA MET A 116 13.510 6.687 2.227 1.00 31.42 H new ATOM 0 HB2 MET A 116 15.324 4.599 3.448 1.00 64.35 H new ATOM 0 HB3 MET A 116 13.728 4.247 2.816 1.00 64.35 H new ATOM 0 HG2 MET A 116 15.996 5.447 1.184 1.00 2.30 H new ATOM 0 HG3 MET A 116 15.603 3.740 1.231 1.00 2.30 H new ATOM 0 HE1 MET A 116 12.030 3.657 -0.427 1.00 34.21 H new ATOM 0 HE2 MET A 116 13.271 2.752 0.471 1.00 34.21 H new ATOM 0 HE3 MET A 116 12.269 3.960 1.310 1.00 34.21 H new ATOM 1712 N SER A 117 12.086 6.727 4.232 1.00 54.31 N ATOM 1713 CA SER A 117 11.261 6.926 5.391 1.00 31.14 C ATOM 1714 C SER A 117 10.729 5.584 5.950 1.00 43.50 C ATOM 1715 O SER A 117 10.585 4.574 5.209 1.00 55.42 O ATOM 1716 CB SER A 117 10.129 7.907 5.068 1.00 73.04 C ATOM 1717 OG SER A 117 9.567 8.433 6.248 1.00 34.33 O ATOM 0 H SER A 117 11.614 6.898 3.344 1.00 54.31 H new ATOM 0 HA SER A 117 11.872 7.365 6.180 1.00 31.14 H new ATOM 0 HB2 SER A 117 10.512 8.719 4.449 1.00 73.04 H new ATOM 0 HB3 SER A 117 9.358 7.400 4.488 1.00 73.04 H new ATOM 0 HG SER A 117 8.611 8.597 6.110 1.00 34.33 H new ATOM 1723 N ALA A 118 10.386 5.600 7.233 1.00 41.02 N ATOM 1724 CA ALA A 118 10.013 4.408 7.994 1.00 72.21 C ATOM 1725 C ALA A 118 8.793 3.710 7.420 1.00 75.23 C ATOM 1726 O ALA A 118 8.724 2.486 7.406 1.00 45.23 O ATOM 1727 CB ALA A 118 9.788 4.761 9.456 1.00 43.43 C ATOM 0 H ALA A 118 10.358 6.457 7.786 1.00 41.02 H new ATOM 0 HA ALA A 118 10.844 3.707 7.919 1.00 72.21 H new ATOM 0 HB1 ALA A 118 9.511 3.863 10.009 1.00 43.43 H new ATOM 0 HB2 ALA A 118 10.704 5.177 9.875 1.00 43.43 H new ATOM 0 HB3 ALA A 118 8.987 5.496 9.534 1.00 43.43 H new ATOM 1733 N GLU A 119 7.856 4.492 6.933 1.00 61.15 N ATOM 1734 CA GLU A 119 6.615 4.001 6.321 1.00 1.24 C ATOM 1735 C GLU A 119 6.928 3.106 5.125 1.00 3.14 C ATOM 1736 O GLU A 119 6.213 2.154 4.839 1.00 75.13 O ATOM 1737 CB GLU A 119 5.712 5.163 5.821 1.00 10.54 C ATOM 1738 CG GLU A 119 5.504 6.330 6.790 1.00 11.23 C ATOM 1739 CD GLU A 119 6.734 7.199 6.891 1.00 4.44 C ATOM 1740 OE1 GLU A 119 6.954 8.022 6.004 1.00 20.42 O ATOM 1741 OE2 GLU A 119 7.543 6.985 7.804 1.00 31.31 O ATOM 0 H GLU A 119 7.925 5.510 6.946 1.00 61.15 H new ATOM 0 HA GLU A 119 6.087 3.444 7.095 1.00 1.24 H new ATOM 0 HB2 GLU A 119 6.141 5.557 4.900 1.00 10.54 H new ATOM 0 HB3 GLU A 119 4.735 4.751 5.567 1.00 10.54 H new ATOM 0 HG2 GLU A 119 4.659 6.933 6.457 1.00 11.23 H new ATOM 0 HG3 GLU A 119 5.250 5.943 7.777 1.00 11.23 H new ATOM 1748 N GLN A 120 8.022 3.399 4.448 1.00 43.22 N ATOM 1749 CA GLN A 120 8.388 2.653 3.271 1.00 75.40 C ATOM 1750 C GLN A 120 9.106 1.388 3.738 1.00 5.25 C ATOM 1751 O GLN A 120 8.848 0.265 3.255 1.00 52.44 O ATOM 1752 CB GLN A 120 9.282 3.520 2.372 1.00 53.35 C ATOM 1753 CG GLN A 120 8.790 4.970 2.279 1.00 4.42 C ATOM 1754 CD GLN A 120 9.620 5.844 1.369 1.00 65.54 C ATOM 1755 OE1 GLN A 120 10.632 6.398 1.787 1.00 12.52 O ATOM 1756 NE2 GLN A 120 9.154 6.058 0.171 1.00 22.04 N ATOM 0 H GLN A 120 8.668 4.148 4.697 1.00 43.22 H new ATOM 0 HA GLN A 120 7.514 2.375 2.682 1.00 75.40 H new ATOM 0 HB2 GLN A 120 10.301 3.509 2.759 1.00 53.35 H new ATOM 0 HB3 GLN A 120 9.316 3.086 1.373 1.00 53.35 H new ATOM 0 HG2 GLN A 120 7.759 4.971 1.925 1.00 4.42 H new ATOM 0 HG3 GLN A 120 8.785 5.406 3.278 1.00 4.42 H new ATOM 0 HE21 GLN A 120 8.310 5.578 -0.141 1.00 22.04 H new ATOM 0 HE22 GLN A 120 9.634 6.705 -0.455 1.00 22.04 H new ATOM 1765 N ILE A 121 9.945 1.574 4.760 1.00 21.11 N ATOM 1766 CA ILE A 121 10.686 0.488 5.403 1.00 52.32 C ATOM 1767 C ILE A 121 9.709 -0.542 5.993 1.00 14.31 C ATOM 1768 O ILE A 121 10.006 -1.731 6.053 1.00 65.41 O ATOM 1769 CB ILE A 121 11.639 1.042 6.510 1.00 73.22 C ATOM 1770 CG1 ILE A 121 12.667 1.999 5.879 1.00 71.52 C ATOM 1771 CG2 ILE A 121 12.345 -0.091 7.268 1.00 71.51 C ATOM 1772 CD1 ILE A 121 13.615 2.638 6.869 1.00 63.30 C ATOM 0 H ILE A 121 10.130 2.491 5.167 1.00 21.11 H new ATOM 0 HA ILE A 121 11.300 -0.005 4.649 1.00 52.32 H new ATOM 0 HB ILE A 121 11.038 1.589 7.236 1.00 73.22 H new ATOM 0 HG12 ILE A 121 13.249 1.450 5.139 1.00 71.52 H new ATOM 0 HG13 ILE A 121 12.133 2.786 5.346 1.00 71.52 H new ATOM 0 HG21 ILE A 121 12.999 0.333 8.030 1.00 71.51 H new ATOM 0 HG22 ILE A 121 11.601 -0.730 7.744 1.00 71.51 H new ATOM 0 HG23 ILE A 121 12.937 -0.682 6.570 1.00 71.51 H new ATOM 0 HD11 ILE A 121 14.304 3.296 6.340 1.00 63.30 H new ATOM 0 HD12 ILE A 121 13.046 3.217 7.596 1.00 63.30 H new ATOM 0 HD13 ILE A 121 14.179 1.862 7.386 1.00 63.30 H new ATOM 1784 N GLU A 122 8.537 -0.065 6.395 1.00 31.33 N ATOM 1785 CA GLU A 122 7.462 -0.911 6.890 1.00 62.24 C ATOM 1786 C GLU A 122 7.075 -1.941 5.821 1.00 45.34 C ATOM 1787 O GLU A 122 6.900 -3.113 6.119 1.00 52.00 O ATOM 1788 CB GLU A 122 6.255 -0.046 7.307 1.00 30.30 C ATOM 1789 CG GLU A 122 5.090 -0.817 7.924 1.00 11.30 C ATOM 1790 CD GLU A 122 5.526 -1.658 9.097 1.00 13.33 C ATOM 1791 OE1 GLU A 122 5.873 -1.104 10.169 1.00 2.43 O ATOM 1792 OE2 GLU A 122 5.600 -2.896 8.966 1.00 4.54 O ATOM 0 H GLU A 122 8.306 0.928 6.386 1.00 31.33 H new ATOM 0 HA GLU A 122 7.802 -1.453 7.772 1.00 62.24 H new ATOM 0 HB2 GLU A 122 6.594 0.703 8.022 1.00 30.30 H new ATOM 0 HB3 GLU A 122 5.892 0.491 6.431 1.00 30.30 H new ATOM 0 HG2 GLU A 122 4.322 -0.115 8.247 1.00 11.30 H new ATOM 0 HG3 GLU A 122 4.638 -1.458 7.167 1.00 11.30 H new ATOM 1799 N TYR A 123 7.041 -1.514 4.560 1.00 51.03 N ATOM 1800 CA TYR A 123 6.718 -2.433 3.492 1.00 44.11 C ATOM 1801 C TYR A 123 7.909 -3.340 3.262 1.00 61.00 C ATOM 1802 O TYR A 123 7.758 -4.562 3.096 1.00 45.25 O ATOM 1803 CB TYR A 123 6.337 -1.691 2.193 1.00 62.15 C ATOM 1804 CG TYR A 123 6.052 -2.622 1.016 1.00 42.21 C ATOM 1805 CD1 TYR A 123 4.824 -3.261 0.888 1.00 34.42 C ATOM 1806 CD2 TYR A 123 7.025 -2.874 0.051 1.00 35.11 C ATOM 1807 CE1 TYR A 123 4.573 -4.123 -0.168 1.00 51.24 C ATOM 1808 CE2 TYR A 123 6.782 -3.734 -1.003 1.00 63.21 C ATOM 1809 CZ TYR A 123 5.557 -4.356 -1.109 1.00 40.53 C ATOM 1810 OH TYR A 123 5.317 -5.220 -2.159 1.00 53.55 O ATOM 0 H TYR A 123 7.230 -0.556 4.265 1.00 51.03 H new ATOM 0 HA TYR A 123 5.848 -3.023 3.782 1.00 44.11 H new ATOM 0 HB2 TYR A 123 5.456 -1.077 2.381 1.00 62.15 H new ATOM 0 HB3 TYR A 123 7.146 -1.013 1.921 1.00 62.15 H new ATOM 0 HD1 TYR A 123 4.053 -3.083 1.623 1.00 34.42 H new ATOM 0 HD2 TYR A 123 7.987 -2.388 0.128 1.00 35.11 H new ATOM 0 HE1 TYR A 123 3.613 -4.610 -0.255 1.00 51.24 H new ATOM 0 HE2 TYR A 123 7.549 -3.918 -1.741 1.00 63.21 H new ATOM 0 HH TYR A 123 5.981 -5.941 -2.148 1.00 53.55 H new ATOM 1820 N VAL A 124 9.097 -2.740 3.305 1.00 24.12 N ATOM 1821 CA VAL A 124 10.346 -3.474 3.111 1.00 55.12 C ATOM 1822 C VAL A 124 10.436 -4.657 4.075 1.00 11.13 C ATOM 1823 O VAL A 124 10.684 -5.757 3.661 1.00 62.33 O ATOM 1824 CB VAL A 124 11.603 -2.571 3.273 1.00 72.35 C ATOM 1825 CG1 VAL A 124 12.881 -3.369 3.036 1.00 24.51 C ATOM 1826 CG2 VAL A 124 11.544 -1.393 2.319 1.00 65.53 C ATOM 0 H VAL A 124 9.221 -1.742 3.473 1.00 24.12 H new ATOM 0 HA VAL A 124 10.332 -3.839 2.084 1.00 55.12 H new ATOM 0 HB VAL A 124 11.613 -2.195 4.296 1.00 72.35 H new ATOM 0 HG11 VAL A 124 13.745 -2.716 3.155 1.00 24.51 H new ATOM 0 HG12 VAL A 124 12.940 -4.184 3.757 1.00 24.51 H new ATOM 0 HG13 VAL A 124 12.872 -3.779 2.026 1.00 24.51 H new ATOM 0 HG21 VAL A 124 12.432 -0.775 2.449 1.00 65.53 H new ATOM 0 HG22 VAL A 124 11.503 -1.758 1.293 1.00 65.53 H new ATOM 0 HG23 VAL A 124 10.655 -0.799 2.529 1.00 65.53 H new ATOM 1836 N LYS A 125 10.150 -4.427 5.339 1.00 64.13 N ATOM 1837 CA LYS A 125 10.231 -5.492 6.334 1.00 33.34 C ATOM 1838 C LYS A 125 9.037 -6.440 6.300 1.00 61.21 C ATOM 1839 O LYS A 125 9.035 -7.463 6.974 1.00 23.35 O ATOM 1840 CB LYS A 125 10.502 -4.957 7.752 1.00 44.12 C ATOM 1841 CG LYS A 125 9.483 -3.984 8.313 1.00 14.14 C ATOM 1842 CD LYS A 125 9.945 -3.469 9.674 1.00 74.34 C ATOM 1843 CE LYS A 125 8.976 -2.462 10.268 1.00 42.33 C ATOM 1844 NZ LYS A 125 7.652 -3.043 10.540 1.00 30.33 N ATOM 0 H LYS A 125 9.861 -3.521 5.707 1.00 64.13 H new ATOM 0 HA LYS A 125 11.098 -6.088 6.050 1.00 33.34 H new ATOM 0 HB2 LYS A 125 10.571 -5.807 8.430 1.00 44.12 H new ATOM 0 HB3 LYS A 125 11.477 -4.469 7.752 1.00 44.12 H new ATOM 0 HG2 LYS A 125 9.349 -3.149 7.626 1.00 14.14 H new ATOM 0 HG3 LYS A 125 8.515 -4.475 8.411 1.00 14.14 H new ATOM 0 HD2 LYS A 125 10.058 -4.309 10.359 1.00 74.34 H new ATOM 0 HD3 LYS A 125 10.927 -3.008 9.571 1.00 74.34 H new ATOM 0 HE2 LYS A 125 9.392 -2.066 11.194 1.00 42.33 H new ATOM 0 HE3 LYS A 125 8.866 -1.621 9.583 1.00 42.33 H new ATOM 0 HZ1 LYS A 125 7.045 -2.329 10.991 1.00 30.33 H new ATOM 0 HZ2 LYS A 125 7.218 -3.352 9.647 1.00 30.33 H new ATOM 0 HZ3 LYS A 125 7.755 -3.860 11.175 1.00 30.33 H new ATOM 1858 N ALA A 126 8.020 -6.096 5.537 1.00 62.25 N ATOM 1859 CA ALA A 126 6.861 -6.951 5.430 1.00 73.21 C ATOM 1860 C ALA A 126 6.970 -7.836 4.196 1.00 51.11 C ATOM 1861 O ALA A 126 6.317 -8.875 4.097 1.00 61.12 O ATOM 1862 CB ALA A 126 5.585 -6.118 5.379 1.00 41.15 C ATOM 0 H ALA A 126 7.974 -5.238 4.987 1.00 62.25 H new ATOM 0 HA ALA A 126 6.818 -7.589 6.312 1.00 73.21 H new ATOM 0 HB1 ALA A 126 4.722 -6.779 5.298 1.00 41.15 H new ATOM 0 HB2 ALA A 126 5.503 -5.523 6.288 1.00 41.15 H new ATOM 0 HB3 ALA A 126 5.617 -5.456 4.514 1.00 41.15 H new ATOM 1868 N ASN A 127 7.782 -7.414 3.247 1.00 52.11 N ATOM 1869 CA ASN A 127 7.936 -8.163 2.008 1.00 21.50 C ATOM 1870 C ASN A 127 9.353 -8.766 1.860 1.00 44.41 C ATOM 1871 O ASN A 127 9.533 -9.785 1.197 1.00 4.21 O ATOM 1872 CB ASN A 127 7.553 -7.253 0.815 1.00 61.54 C ATOM 1873 CG ASN A 127 7.516 -7.932 -0.563 1.00 65.42 C ATOM 1874 OD1 ASN A 127 7.737 -7.278 -1.581 1.00 61.40 O ATOM 1875 ND2 ASN A 127 7.210 -9.211 -0.618 1.00 65.24 N ATOM 0 H ASN A 127 8.343 -6.564 3.305 1.00 52.11 H new ATOM 0 HA ASN A 127 7.260 -9.018 2.026 1.00 21.50 H new ATOM 0 HB2 ASN A 127 6.572 -6.822 1.012 1.00 61.54 H new ATOM 0 HB3 ASN A 127 8.262 -6.426 0.772 1.00 61.54 H new ATOM 0 HD21 ASN A 127 7.151 -9.683 -1.520 1.00 65.24 H new ATOM 0 HD22 ASN A 127 7.031 -9.730 0.242 1.00 65.24 H new ATOM 1882 N LEU A 128 10.339 -8.155 2.494 1.00 2.04 N ATOM 1883 CA LEU A 128 11.723 -8.620 2.418 1.00 41.52 C ATOM 1884 C LEU A 128 12.212 -9.029 3.812 1.00 30.13 C ATOM 1885 O LEU A 128 11.995 -8.309 4.780 1.00 71.32 O ATOM 1886 CB LEU A 128 12.695 -7.532 1.836 1.00 50.51 C ATOM 1887 CG LEU A 128 12.514 -7.070 0.363 1.00 3.53 C ATOM 1888 CD1 LEU A 128 11.183 -6.371 0.121 1.00 12.31 C ATOM 1889 CD2 LEU A 128 13.637 -6.141 -0.013 1.00 43.41 C ATOM 0 H LEU A 128 10.209 -7.326 3.074 1.00 2.04 H new ATOM 0 HA LEU A 128 11.733 -9.473 1.740 1.00 41.52 H new ATOM 0 HB2 LEU A 128 12.617 -6.649 2.470 1.00 50.51 H new ATOM 0 HB3 LEU A 128 13.712 -7.910 1.940 1.00 50.51 H new ATOM 0 HG LEU A 128 12.527 -7.966 -0.257 1.00 3.53 H new ATOM 0 HD11 LEU A 128 11.114 -6.072 -0.925 1.00 12.31 H new ATOM 0 HD12 LEU A 128 10.366 -7.052 0.358 1.00 12.31 H new ATOM 0 HD13 LEU A 128 11.115 -5.488 0.756 1.00 12.31 H new ATOM 0 HD21 LEU A 128 13.511 -5.817 -1.046 1.00 43.41 H new ATOM 0 HD22 LEU A 128 13.625 -5.272 0.644 1.00 43.41 H new ATOM 0 HD23 LEU A 128 14.589 -6.661 0.090 1.00 43.41 H new ATOM 1901 N PRO A 129 12.853 -10.198 3.944 1.00 30.42 N ATOM 1902 CA PRO A 129 13.386 -10.656 5.217 1.00 64.04 C ATOM 1903 C PRO A 129 14.826 -10.158 5.459 1.00 54.43 C ATOM 1904 O PRO A 129 15.631 -10.046 4.526 1.00 41.13 O ATOM 1905 CB PRO A 129 13.362 -12.176 5.063 1.00 51.31 C ATOM 1906 CG PRO A 129 13.560 -12.420 3.600 1.00 23.52 C ATOM 1907 CD PRO A 129 13.084 -11.180 2.872 1.00 62.14 C ATOM 0 HA PRO A 129 12.814 -10.285 6.068 1.00 64.04 H new ATOM 0 HB2 PRO A 129 14.151 -12.645 5.652 1.00 51.31 H new ATOM 0 HB3 PRO A 129 12.416 -12.593 5.408 1.00 51.31 H new ATOM 0 HG2 PRO A 129 14.610 -12.616 3.381 1.00 23.52 H new ATOM 0 HG3 PRO A 129 12.998 -13.296 3.276 1.00 23.52 H new ATOM 0 HD2 PRO A 129 13.830 -10.825 2.161 1.00 62.14 H new ATOM 0 HD3 PRO A 129 12.172 -11.375 2.307 1.00 62.14 H new ATOM 1915 N GLN A 130 15.145 -9.870 6.696 1.00 62.44 N ATOM 1916 CA GLN A 130 16.466 -9.388 7.051 1.00 21.54 C ATOM 1917 C GLN A 130 17.275 -10.485 7.737 1.00 72.23 C ATOM 1918 O GLN A 130 16.741 -11.230 8.562 1.00 13.31 O ATOM 1919 CB GLN A 130 16.359 -8.119 7.929 1.00 74.34 C ATOM 1920 CG GLN A 130 15.538 -8.297 9.209 1.00 12.50 C ATOM 1921 CD GLN A 130 15.263 -6.991 9.963 1.00 73.43 C ATOM 1922 OE1 GLN A 130 14.229 -6.855 10.606 1.00 61.41 O ATOM 1923 NE2 GLN A 130 16.146 -6.025 9.880 1.00 5.14 N ATOM 0 H GLN A 130 14.504 -9.961 7.484 1.00 62.44 H new ATOM 0 HA GLN A 130 16.997 -9.115 6.139 1.00 21.54 H new ATOM 0 HB2 GLN A 130 17.364 -7.795 8.200 1.00 74.34 H new ATOM 0 HB3 GLN A 130 15.915 -7.319 7.336 1.00 74.34 H new ATOM 0 HG2 GLN A 130 14.587 -8.765 8.956 1.00 12.50 H new ATOM 0 HG3 GLN A 130 16.064 -8.983 9.873 1.00 12.50 H new ATOM 0 HE21 GLN A 130 17.000 -6.160 9.339 1.00 5.14 H new ATOM 0 HE22 GLN A 130 15.979 -5.139 10.356 1.00 5.14 H new ATOM 1973 N GLY A 134 19.546 -6.413 7.374 1.00 24.15 N ATOM 1974 CA GLY A 134 19.976 -6.600 6.046 1.00 50.42 C ATOM 1975 C GLY A 134 18.958 -7.378 5.301 1.00 2.11 C ATOM 1976 O GLY A 134 18.961 -8.616 5.299 1.00 22.02 O ATOM 0 HA2 GLY A 134 20.135 -5.635 5.565 1.00 50.42 H new ATOM 0 HA3 GLY A 134 20.931 -7.124 6.032 1.00 50.42 H new ATOM 1980 N TYR A 135 18.066 -6.657 4.724 1.00 62.53 N ATOM 1981 CA TYR A 135 16.972 -7.175 3.978 1.00 41.03 C ATOM 1982 C TYR A 135 17.454 -7.763 2.675 1.00 61.40 C ATOM 1983 O TYR A 135 18.062 -7.074 1.859 1.00 74.12 O ATOM 1984 CB TYR A 135 15.963 -6.045 3.766 1.00 1.11 C ATOM 1985 CG TYR A 135 15.327 -5.596 5.062 1.00 62.32 C ATOM 1986 CD1 TYR A 135 14.230 -6.251 5.576 1.00 13.54 C ATOM 1987 CD2 TYR A 135 15.853 -4.537 5.784 1.00 22.54 C ATOM 1988 CE1 TYR A 135 13.665 -5.861 6.769 1.00 5.42 C ATOM 1989 CE2 TYR A 135 15.300 -4.142 6.980 1.00 25.32 C ATOM 1990 CZ TYR A 135 14.204 -4.804 7.468 1.00 34.22 C ATOM 1991 OH TYR A 135 13.647 -4.420 8.673 1.00 14.14 O ATOM 0 H TYR A 135 18.078 -5.638 4.760 1.00 62.53 H new ATOM 0 HA TYR A 135 16.484 -7.985 4.520 1.00 41.03 H new ATOM 0 HB2 TYR A 135 16.462 -5.198 3.296 1.00 1.11 H new ATOM 0 HB3 TYR A 135 15.186 -6.379 3.078 1.00 1.11 H new ATOM 0 HD1 TYR A 135 13.806 -7.084 5.034 1.00 13.54 H new ATOM 0 HD2 TYR A 135 16.715 -4.011 5.400 1.00 22.54 H new ATOM 0 HE1 TYR A 135 12.802 -6.382 7.156 1.00 5.42 H new ATOM 0 HE2 TYR A 135 15.726 -3.316 7.530 1.00 25.32 H new ATOM 0 HH TYR A 135 14.147 -3.660 9.037 1.00 14.14 H new ATOM 2001 N ASP A 136 17.237 -9.042 2.522 1.00 34.20 N ATOM 2002 CA ASP A 136 17.625 -9.768 1.327 1.00 73.14 C ATOM 2003 C ASP A 136 16.661 -9.370 0.233 1.00 35.20 C ATOM 2004 O ASP A 136 15.570 -9.909 0.143 1.00 51.13 O ATOM 2005 CB ASP A 136 17.552 -11.305 1.589 1.00 73.43 C ATOM 2006 CG ASP A 136 18.066 -12.205 0.446 1.00 3.34 C ATOM 2007 OD1 ASP A 136 17.326 -12.505 -0.493 1.00 71.12 O ATOM 2008 OD2 ASP A 136 19.217 -12.687 0.523 1.00 73.04 O ATOM 0 H ASP A 136 16.781 -9.622 3.227 1.00 34.20 H new ATOM 0 HA ASP A 136 18.649 -9.530 1.039 1.00 73.14 H new ATOM 0 HB2 ASP A 136 18.125 -11.529 2.489 1.00 73.43 H new ATOM 0 HB3 ASP A 136 16.516 -11.570 1.797 1.00 73.43 H new ATOM 2013 N TYR A 137 17.028 -8.368 -0.568 1.00 42.04 N ATOM 2014 CA TYR A 137 16.118 -7.887 -1.621 1.00 12.51 C ATOM 2015 C TYR A 137 16.011 -8.912 -2.699 1.00 33.04 C ATOM 2016 O TYR A 137 15.066 -8.933 -3.490 1.00 50.13 O ATOM 2017 CB TYR A 137 16.524 -6.511 -2.206 1.00 21.34 C ATOM 2018 CG TYR A 137 17.789 -6.491 -3.041 1.00 64.54 C ATOM 2019 CD1 TYR A 137 17.776 -6.904 -4.379 1.00 34.23 C ATOM 2020 CD2 TYR A 137 18.981 -6.056 -2.508 1.00 14.31 C ATOM 2021 CE1 TYR A 137 18.913 -6.887 -5.145 1.00 21.21 C ATOM 2022 CE2 TYR A 137 20.122 -6.029 -3.266 1.00 22.34 C ATOM 2023 CZ TYR A 137 20.089 -6.446 -4.585 1.00 34.30 C ATOM 2024 OH TYR A 137 21.239 -6.424 -5.333 1.00 32.11 O ATOM 0 H TYR A 137 17.923 -7.882 -0.515 1.00 42.04 H new ATOM 0 HA TYR A 137 15.144 -7.735 -1.157 1.00 12.51 H new ATOM 0 HB2 TYR A 137 15.702 -6.142 -2.819 1.00 21.34 H new ATOM 0 HB3 TYR A 137 16.646 -5.809 -1.381 1.00 21.34 H new ATOM 0 HD1 TYR A 137 16.849 -7.244 -4.817 1.00 34.23 H new ATOM 0 HD2 TYR A 137 19.017 -5.732 -1.479 1.00 14.31 H new ATOM 0 HE1 TYR A 137 18.885 -7.215 -6.174 1.00 21.21 H new ATOM 0 HE2 TYR A 137 21.049 -5.682 -2.833 1.00 22.34 H new ATOM 0 HH TYR A 137 22.011 -6.582 -4.751 1.00 32.11 H new ATOM 2034 N ALA A 138 16.973 -9.789 -2.698 1.00 43.03 N ATOM 2035 CA ALA A 138 17.030 -10.845 -3.620 1.00 71.51 C ATOM 2036 C ALA A 138 15.927 -11.857 -3.332 1.00 64.11 C ATOM 2037 O ALA A 138 15.654 -12.678 -4.158 1.00 11.45 O ATOM 2038 CB ALA A 138 18.403 -11.493 -3.597 1.00 50.22 C ATOM 0 H ALA A 138 17.748 -9.774 -2.035 1.00 43.03 H new ATOM 0 HA ALA A 138 16.867 -10.451 -4.623 1.00 71.51 H new ATOM 0 HB1 ALA A 138 18.432 -12.310 -4.317 1.00 50.22 H new ATOM 0 HB2 ALA A 138 19.159 -10.753 -3.858 1.00 50.22 H new ATOM 0 HB3 ALA A 138 18.605 -11.882 -2.599 1.00 50.22 H new ATOM 2044 N ALA A 139 15.277 -11.761 -2.151 1.00 51.12 N ATOM 2045 CA ALA A 139 14.168 -12.649 -1.765 1.00 11.20 C ATOM 2046 C ALA A 139 13.076 -12.598 -2.791 1.00 55.40 C ATOM 2047 O ALA A 139 12.386 -13.588 -3.030 1.00 64.21 O ATOM 2048 CB ALA A 139 13.610 -12.269 -0.414 1.00 63.02 C ATOM 0 H ALA A 139 15.509 -11.065 -1.442 1.00 51.12 H new ATOM 0 HA ALA A 139 14.561 -13.664 -1.706 1.00 11.20 H new ATOM 0 HB1 ALA A 139 12.793 -12.942 -0.156 1.00 63.02 H new ATOM 0 HB2 ALA A 139 14.395 -12.346 0.338 1.00 63.02 H new ATOM 0 HB3 ALA A 139 13.239 -11.245 -0.449 1.00 63.02 H new ATOM 2054 N TRP A 140 12.950 -11.443 -3.406 1.00 60.33 N ATOM 2055 CA TRP A 140 12.026 -11.234 -4.473 1.00 61.30 C ATOM 2056 C TRP A 140 12.379 -12.177 -5.635 1.00 41.33 C ATOM 2057 O TRP A 140 11.596 -13.040 -6.002 1.00 24.20 O ATOM 2058 CB TRP A 140 12.097 -9.766 -4.909 1.00 70.13 C ATOM 2059 CG TRP A 140 11.221 -9.438 -6.064 1.00 70.05 C ATOM 2060 CD1 TRP A 140 9.865 -9.432 -6.076 1.00 62.54 C ATOM 2061 CD2 TRP A 140 11.641 -9.053 -7.377 1.00 74.34 C ATOM 2062 NE1 TRP A 140 9.412 -9.083 -7.315 1.00 34.42 N ATOM 2063 CE2 TRP A 140 10.479 -8.846 -8.136 1.00 2.34 C ATOM 2064 CE3 TRP A 140 12.887 -8.873 -7.985 1.00 52.05 C ATOM 2065 CZ2 TRP A 140 10.521 -8.462 -9.473 1.00 50.51 C ATOM 2066 CZ3 TRP A 140 12.929 -8.492 -9.312 1.00 22.13 C ATOM 2067 CH2 TRP A 140 11.753 -8.289 -10.043 1.00 75.41 C ATOM 0 H TRP A 140 13.499 -10.617 -3.168 1.00 60.33 H new ATOM 0 HA TRP A 140 11.008 -11.452 -4.151 1.00 61.30 H new ATOM 0 HB2 TRP A 140 11.822 -9.133 -4.065 1.00 70.13 H new ATOM 0 HB3 TRP A 140 13.128 -9.523 -5.167 1.00 70.13 H new ATOM 0 HD1 TRP A 140 9.237 -9.668 -5.230 1.00 62.54 H new ATOM 0 HE1 TRP A 140 8.431 -9.010 -7.586 1.00 34.42 H new ATOM 0 HE3 TRP A 140 13.799 -9.029 -7.428 1.00 52.05 H new ATOM 0 HZ2 TRP A 140 9.615 -8.306 -10.040 1.00 50.51 H new ATOM 0 HZ3 TRP A 140 13.885 -8.348 -9.793 1.00 22.13 H new ATOM 0 HH2 TRP A 140 11.819 -7.990 -11.079 1.00 75.41 H new