USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 957 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 145 MET CE :methyl -146:sc= -1.2 (180deg=-3.89!) USER MOD Set 1.2: A 146 THR OG1 : rot 65:sc= 1.05 USER MOD Set 2.1: A 36 MET CE :methyl 147:sc= -2.63 (180deg=-4.95!) USER MOD Set 2.2: A 72 MET CE :methyl 144:sc= -0.757 (180deg=-0.918) USER MOD Set 3.1: A 26 THR OG1 : rot -144:sc= 1.02 USER MOD Set 3.2: A 62 THR OG1 : rot 131:sc= 1.35 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 106:sc= 0.349 USER MOD Single : A 28 THR OG1 : rot -136:sc= 0.189 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0175 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0529 USER MOD Single : A 38 SER OG : rot -35:sc= 0.122 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.0855 X(o=-0.085,f=-0.051) USER MOD Single : A 44 THR OG1 : rot 149:sc= 1.28 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl 153:sc= -5.97! (180deg=-6.81!) USER MOD Single : A 53 ASN : amide:sc=-0.00631 X(o=-0.0063,f=-0.025) USER MOD Single : A 70 THR OG1 : rot 4:sc= 0.503 USER MOD Single : A 71 MET CE :methyl 154:sc= -6.3! (180deg=-8.44!) USER MOD Single : A 81 SER OG : rot 54:sc= 0.383 USER MOD Single : A 94 LYS NZ :NH3+ -172:sc= 2.05 (180deg=2.02) USER MOD Single : A 97 ASN : amide:sc= -1.13 K(o=-1.1,f=-2!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS :FLIP no HE2:sc= 0.337 F(o=-1.1,f=0.34) USER MOD Single : A 109 MET CE :methyl 149:sc= -2.79! (180deg=-4.6!) USER MOD Single : A 110 THR OG1 : rot 86:sc= 0.606 USER MOD Single : A 111 ASN :FLIP amide:sc= 1 F(o=-0.37,f=1) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.00641 USER MOD Single : A 124 MET CE :methyl 174:sc= -5.89! (180deg=-6.44!) USER MOD Single : A 135 GLN : amide:sc= -0.35 K(o=-0.35,f=-3.7!) USER MOD Single : A 137 ASN : amide:sc= -0.48! C(o=-0.48!,f=-15!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl -154:sc= -0.884 (180deg=-2.69!) USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 90 N GLU A 7 5.781 12.209 -9.778 1.00 3.51 N ATOM 91 CA GLU A 7 4.641 12.644 -10.588 1.00 3.59 C ATOM 92 C GLU A 7 3.301 12.482 -9.873 1.00 3.35 C ATOM 93 O GLU A 7 2.319 13.112 -10.272 1.00 3.38 O ATOM 94 CB GLU A 7 4.613 11.902 -11.931 1.00 3.93 C ATOM 95 CG GLU A 7 5.696 12.341 -12.913 1.00 4.45 C ATOM 96 CD GLU A 7 5.357 13.636 -13.632 1.00 5.14 C ATOM 97 OE1 GLU A 7 5.715 14.714 -13.114 1.00 5.54 O ATOM 98 OE2 GLU A 7 4.734 13.569 -14.712 1.00 5.58 O ATOM 0 HA GLU A 7 4.782 13.710 -10.764 1.00 3.59 H new ATOM 0 HB2 GLU A 7 4.719 10.833 -11.745 1.00 3.93 H new ATOM 0 HB3 GLU A 7 3.637 12.049 -12.394 1.00 3.93 H new ATOM 0 HG2 GLU A 7 6.636 12.466 -12.376 1.00 4.45 H new ATOM 0 HG3 GLU A 7 5.852 11.553 -13.650 1.00 4.45 H new ATOM 105 N GLN A 8 3.245 11.634 -8.829 1.00 3.16 N ATOM 106 CA GLN A 8 2.009 11.460 -8.061 1.00 2.96 C ATOM 107 C GLN A 8 1.654 12.761 -7.386 1.00 2.69 C ATOM 108 O GLN A 8 0.483 13.113 -7.279 1.00 2.63 O ATOM 109 CB GLN A 8 2.118 10.319 -7.045 1.00 2.87 C ATOM 110 CG GLN A 8 2.058 8.933 -7.669 1.00 3.23 C ATOM 111 CD GLN A 8 2.030 7.828 -6.630 1.00 3.13 C ATOM 112 OE1 GLN A 8 0.962 7.403 -6.188 1.00 3.27 O ATOM 113 NE2 GLN A 8 3.206 7.358 -6.233 1.00 3.29 N ATOM 0 H GLN A 8 4.030 11.069 -8.506 1.00 3.16 H new ATOM 0 HA GLN A 8 1.211 11.182 -8.750 1.00 2.96 H new ATOM 0 HB2 GLN A 8 3.055 10.421 -6.498 1.00 2.87 H new ATOM 0 HB3 GLN A 8 1.312 10.415 -6.317 1.00 2.87 H new ATOM 0 HG2 GLN A 8 1.170 8.859 -8.297 1.00 3.23 H new ATOM 0 HG3 GLN A 8 2.921 8.793 -8.320 1.00 3.23 H new ATOM 0 HE21 GLN A 8 4.067 7.739 -6.626 1.00 3.29 H new ATOM 0 HE22 GLN A 8 3.249 6.615 -5.535 1.00 3.29 H new ATOM 122 N ILE A 9 2.691 13.460 -6.932 1.00 2.59 N ATOM 123 CA ILE A 9 2.563 14.783 -6.362 1.00 2.41 C ATOM 124 C ILE A 9 1.896 15.694 -7.391 1.00 2.64 C ATOM 125 O ILE A 9 1.000 16.466 -7.052 1.00 2.55 O ATOM 126 CB ILE A 9 3.957 15.297 -5.947 1.00 2.42 C ATOM 127 CG1 ILE A 9 4.352 14.617 -4.637 1.00 2.20 C ATOM 128 CG2 ILE A 9 4.010 16.817 -5.854 1.00 2.45 C ATOM 129 CD1 ILE A 9 5.129 13.339 -4.848 1.00 2.35 C ATOM 0 H ILE A 9 3.650 13.114 -6.953 1.00 2.59 H new ATOM 0 HA ILE A 9 1.941 14.766 -5.467 1.00 2.41 H new ATOM 0 HB ILE A 9 4.682 15.037 -6.718 1.00 2.42 H new ATOM 0 HG12 ILE A 9 4.951 15.306 -4.042 1.00 2.20 H new ATOM 0 HG13 ILE A 9 3.452 14.398 -4.062 1.00 2.20 H new ATOM 0 HG21 ILE A 9 5.012 17.129 -5.559 1.00 2.45 H new ATOM 0 HG22 ILE A 9 3.767 17.250 -6.824 1.00 2.45 H new ATOM 0 HG23 ILE A 9 3.289 17.161 -5.112 1.00 2.45 H new ATOM 0 HD11 ILE A 9 5.381 12.903 -3.881 1.00 2.35 H new ATOM 0 HD12 ILE A 9 4.523 12.634 -5.417 1.00 2.35 H new ATOM 0 HD13 ILE A 9 6.045 13.557 -5.398 1.00 2.35 H new ATOM 141 N ALA A 10 2.356 15.583 -8.656 1.00 2.97 N ATOM 142 CA ALA A 10 1.751 16.319 -9.773 1.00 3.26 C ATOM 143 C ALA A 10 0.266 15.988 -9.887 1.00 3.27 C ATOM 144 O ALA A 10 -0.529 16.810 -10.351 1.00 3.43 O ATOM 145 CB ALA A 10 2.479 16.029 -11.078 1.00 3.61 C ATOM 0 H ALA A 10 3.143 14.991 -8.923 1.00 2.97 H new ATOM 0 HA ALA A 10 1.848 17.386 -9.572 1.00 3.26 H new ATOM 0 HB1 ALA A 10 2.010 16.587 -11.888 1.00 3.61 H new ATOM 0 HB2 ALA A 10 3.523 16.330 -10.987 1.00 3.61 H new ATOM 0 HB3 ALA A 10 2.427 14.962 -11.295 1.00 3.61 H new ATOM 151 N GLU A 11 -0.090 14.769 -9.456 1.00 3.14 N ATOM 152 CA GLU A 11 -1.488 14.333 -9.421 1.00 3.18 C ATOM 153 C GLU A 11 -2.136 14.822 -8.138 1.00 2.87 C ATOM 154 O GLU A 11 -3.348 15.049 -8.079 1.00 2.94 O ATOM 155 CB GLU A 11 -1.594 12.811 -9.478 1.00 3.24 C ATOM 156 CG GLU A 11 -1.083 12.192 -10.773 1.00 3.63 C ATOM 157 CD GLU A 11 -1.209 10.681 -10.786 1.00 3.78 C ATOM 158 OE1 GLU A 11 -0.253 10.002 -10.356 1.00 4.13 O ATOM 159 OE2 GLU A 11 -2.264 10.177 -11.226 1.00 3.90 O ATOM 0 H GLU A 11 0.575 14.069 -9.127 1.00 3.14 H new ATOM 0 HA GLU A 11 -1.996 14.751 -10.290 1.00 3.18 H new ATOM 0 HB2 GLU A 11 -1.035 12.389 -8.643 1.00 3.24 H new ATOM 0 HB3 GLU A 11 -2.637 12.526 -9.340 1.00 3.24 H new ATOM 0 HG2 GLU A 11 -1.639 12.607 -11.614 1.00 3.63 H new ATOM 0 HG3 GLU A 11 -0.038 12.467 -10.915 1.00 3.63 H new ATOM 166 N PHE A 12 -1.293 14.976 -7.114 1.00 2.56 N ATOM 167 CA PHE A 12 -1.716 15.450 -5.802 1.00 2.24 C ATOM 168 C PHE A 12 -2.077 16.942 -5.834 1.00 2.30 C ATOM 169 O PHE A 12 -3.036 17.355 -5.176 1.00 2.22 O ATOM 170 CB PHE A 12 -0.612 15.197 -4.763 1.00 1.94 C ATOM 171 CG PHE A 12 -0.462 13.753 -4.301 1.00 1.85 C ATOM 172 CD1 PHE A 12 0.344 13.452 -3.208 1.00 2.28 C ATOM 173 CD2 PHE A 12 -1.143 12.703 -4.919 1.00 2.07 C ATOM 174 CE1 PHE A 12 0.461 12.155 -2.743 1.00 2.34 C ATOM 175 CE2 PHE A 12 -1.013 11.411 -4.460 1.00 2.03 C ATOM 176 CZ PHE A 12 -0.224 11.133 -3.377 1.00 1.90 C ATOM 0 H PHE A 12 -0.295 14.774 -7.176 1.00 2.56 H new ATOM 0 HA PHE A 12 -2.609 14.893 -5.519 1.00 2.24 H new ATOM 0 HB2 PHE A 12 0.339 15.526 -5.182 1.00 1.94 H new ATOM 0 HB3 PHE A 12 -0.809 15.820 -3.891 1.00 1.94 H new ATOM 0 HD1 PHE A 12 0.887 14.244 -2.714 1.00 2.28 H new ATOM 0 HD2 PHE A 12 -1.780 12.906 -5.767 1.00 2.07 H new ATOM 0 HE1 PHE A 12 1.085 11.940 -1.888 1.00 2.34 H new ATOM 0 HE2 PHE A 12 -1.538 10.610 -4.959 1.00 2.03 H new ATOM 0 HZ PHE A 12 -0.136 10.118 -3.018 1.00 1.90 H new ATOM 186 N LYS A 13 -1.306 17.753 -6.601 1.00 2.51 N ATOM 187 CA LYS A 13 -1.584 19.199 -6.708 1.00 2.67 C ATOM 188 C LYS A 13 -2.766 19.480 -7.627 1.00 2.96 C ATOM 189 O LYS A 13 -3.358 20.555 -7.556 1.00 3.07 O ATOM 190 CB LYS A 13 -0.356 20.024 -7.145 1.00 2.86 C ATOM 191 CG LYS A 13 0.564 19.358 -8.173 1.00 3.04 C ATOM 192 CD LYS A 13 1.990 19.199 -7.638 1.00 2.93 C ATOM 193 CE LYS A 13 2.791 20.499 -7.707 1.00 3.15 C ATOM 194 NZ LYS A 13 4.173 20.328 -7.180 1.00 3.58 N ATOM 0 H LYS A 13 -0.503 17.434 -7.143 1.00 2.51 H new ATOM 0 HA LYS A 13 -1.842 19.521 -5.699 1.00 2.67 H new ATOM 0 HB2 LYS A 13 -0.706 20.970 -7.558 1.00 2.86 H new ATOM 0 HB3 LYS A 13 0.233 20.261 -6.259 1.00 2.86 H new ATOM 0 HG2 LYS A 13 0.164 18.380 -8.439 1.00 3.04 H new ATOM 0 HG3 LYS A 13 0.582 19.954 -9.085 1.00 3.04 H new ATOM 0 HD2 LYS A 13 1.950 18.855 -6.604 1.00 2.93 H new ATOM 0 HD3 LYS A 13 2.505 18.428 -8.211 1.00 2.93 H new ATOM 0 HE2 LYS A 13 2.836 20.843 -8.740 1.00 3.15 H new ATOM 0 HE3 LYS A 13 2.278 21.273 -7.136 1.00 3.15 H new ATOM 0 HZ1 LYS A 13 4.683 21.232 -7.244 1.00 3.58 H new ATOM 0 HZ2 LYS A 13 4.130 20.024 -6.186 1.00 3.58 H new ATOM 0 HZ3 LYS A 13 4.672 19.608 -7.741 1.00 3.58 H new ATOM 208 N GLU A 14 -3.104 18.516 -8.496 1.00 3.12 N ATOM 209 CA GLU A 14 -4.260 18.663 -9.388 1.00 3.43 C ATOM 210 C GLU A 14 -5.565 18.557 -8.585 1.00 3.34 C ATOM 211 O GLU A 14 -6.576 19.170 -8.940 1.00 3.56 O ATOM 212 CB GLU A 14 -4.234 17.597 -10.489 1.00 3.67 C ATOM 213 CG GLU A 14 -3.172 17.836 -11.553 1.00 4.07 C ATOM 214 CD GLU A 14 -3.170 16.764 -12.625 1.00 4.36 C ATOM 215 OE1 GLU A 14 -2.456 15.754 -12.454 1.00 4.71 O ATOM 216 OE2 GLU A 14 -3.883 16.934 -13.637 1.00 4.52 O ATOM 0 H GLU A 14 -2.599 17.636 -8.599 1.00 3.12 H new ATOM 0 HA GLU A 14 -4.209 19.646 -9.857 1.00 3.43 H new ATOM 0 HB2 GLU A 14 -4.065 16.622 -10.033 1.00 3.67 H new ATOM 0 HB3 GLU A 14 -5.212 17.559 -10.968 1.00 3.67 H new ATOM 0 HG2 GLU A 14 -3.340 18.808 -12.017 1.00 4.07 H new ATOM 0 HG3 GLU A 14 -2.191 17.873 -11.080 1.00 4.07 H new ATOM 223 N ALA A 15 -5.515 17.766 -7.500 1.00 3.04 N ATOM 224 CA ALA A 15 -6.666 17.546 -6.620 1.00 2.97 C ATOM 225 C ALA A 15 -6.770 18.573 -5.496 1.00 2.76 C ATOM 226 O ALA A 15 -7.770 19.282 -5.401 1.00 2.91 O ATOM 227 CB ALA A 15 -6.620 16.129 -6.039 1.00 2.84 C ATOM 0 H ALA A 15 -4.675 17.264 -7.212 1.00 3.04 H new ATOM 0 HA ALA A 15 -7.558 17.667 -7.235 1.00 2.97 H new ATOM 0 HB1 ALA A 15 -7.479 15.975 -5.386 1.00 2.84 H new ATOM 0 HB2 ALA A 15 -6.646 15.402 -6.851 1.00 2.84 H new ATOM 0 HB3 ALA A 15 -5.702 16.000 -5.466 1.00 2.84 H new ATOM 233 N PHE A 16 -5.743 18.636 -4.632 1.00 2.45 N ATOM 234 CA PHE A 16 -5.713 19.574 -3.495 1.00 2.28 C ATOM 235 C PHE A 16 -6.081 20.988 -3.932 1.00 2.56 C ATOM 236 O PHE A 16 -6.832 21.688 -3.251 1.00 2.60 O ATOM 237 CB PHE A 16 -4.310 19.582 -2.882 1.00 2.02 C ATOM 238 CG PHE A 16 -4.163 20.300 -1.555 1.00 1.86 C ATOM 239 CD1 PHE A 16 -4.306 21.685 -1.454 1.00 2.18 C ATOM 240 CD2 PHE A 16 -3.834 19.581 -0.415 1.00 2.17 C ATOM 241 CE1 PHE A 16 -4.128 22.316 -0.235 1.00 2.21 C ATOM 242 CE2 PHE A 16 -3.662 20.207 0.794 1.00 2.07 C ATOM 243 CZ PHE A 16 -3.809 21.569 0.889 1.00 1.79 C ATOM 0 H PHE A 16 -4.916 18.043 -4.700 1.00 2.45 H new ATOM 0 HA PHE A 16 -6.446 19.243 -2.759 1.00 2.28 H new ATOM 0 HB2 PHE A 16 -3.988 18.549 -2.750 1.00 2.02 H new ATOM 0 HB3 PHE A 16 -3.626 20.040 -3.597 1.00 2.02 H new ATOM 0 HD1 PHE A 16 -4.556 22.266 -2.329 1.00 2.18 H new ATOM 0 HD2 PHE A 16 -3.711 18.510 -0.480 1.00 2.17 H new ATOM 0 HE1 PHE A 16 -4.237 23.388 -0.159 1.00 2.21 H new ATOM 0 HE2 PHE A 16 -3.411 19.628 1.671 1.00 2.07 H new ATOM 0 HZ PHE A 16 -3.676 22.060 1.842 1.00 1.79 H new ATOM 253 N SER A 17 -5.548 21.379 -5.084 1.00 2.80 N ATOM 254 CA SER A 17 -5.774 22.693 -5.633 1.00 3.11 C ATOM 255 C SER A 17 -7.199 22.895 -6.126 1.00 3.36 C ATOM 256 O SER A 17 -7.635 24.038 -6.297 1.00 3.59 O ATOM 257 CB SER A 17 -4.786 22.985 -6.754 1.00 3.33 C ATOM 258 OG SER A 17 -3.464 23.099 -6.257 1.00 3.30 O ATOM 0 H SER A 17 -4.948 20.786 -5.657 1.00 2.80 H new ATOM 0 HA SER A 17 -5.617 23.398 -4.817 1.00 3.11 H new ATOM 0 HB2 SER A 17 -4.830 22.189 -7.497 1.00 3.33 H new ATOM 0 HB3 SER A 17 -5.068 23.909 -7.259 1.00 3.33 H new ATOM 0 HG SER A 17 -2.952 22.301 -6.504 1.00 3.30 H new ATOM 264 N LEU A 18 -7.930 21.795 -6.370 1.00 3.35 N ATOM 265 CA LEU A 18 -9.300 21.902 -6.834 1.00 3.63 C ATOM 266 C LEU A 18 -10.192 22.419 -5.709 1.00 3.56 C ATOM 267 O LEU A 18 -11.304 22.909 -5.927 1.00 3.81 O ATOM 268 CB LEU A 18 -9.778 20.563 -7.413 1.00 3.72 C ATOM 269 CG LEU A 18 -10.490 19.641 -6.437 1.00 3.54 C ATOM 270 CD1 LEU A 18 -11.997 19.874 -6.460 1.00 3.79 C ATOM 271 CD2 LEU A 18 -10.174 18.178 -6.711 1.00 3.53 C ATOM 0 H LEU A 18 -7.591 20.840 -6.252 1.00 3.35 H new ATOM 0 HA LEU A 18 -9.358 22.627 -7.646 1.00 3.63 H new ATOM 0 HB2 LEU A 18 -10.449 20.767 -8.247 1.00 3.72 H new ATOM 0 HB3 LEU A 18 -8.915 20.035 -7.820 1.00 3.72 H new ATOM 0 HG LEU A 18 -10.119 19.881 -5.441 1.00 3.54 H new ATOM 0 HD11 LEU A 18 -12.480 19.201 -5.752 1.00 3.79 H new ATOM 0 HD12 LEU A 18 -12.210 20.906 -6.182 1.00 3.79 H new ATOM 0 HD13 LEU A 18 -12.380 19.682 -7.462 1.00 3.79 H new ATOM 0 HD21 LEU A 18 -10.702 17.551 -5.992 1.00 3.53 H new ATOM 0 HD22 LEU A 18 -10.493 17.920 -7.721 1.00 3.53 H new ATOM 0 HD23 LEU A 18 -9.101 18.014 -6.616 1.00 3.53 H new ATOM 283 N PHE A 19 -9.647 22.282 -4.519 1.00 3.24 N ATOM 284 CA PHE A 19 -10.280 22.727 -3.285 1.00 3.16 C ATOM 285 C PHE A 19 -9.436 23.838 -2.661 1.00 3.11 C ATOM 286 O PHE A 19 -9.716 24.303 -1.552 1.00 3.07 O ATOM 287 CB PHE A 19 -10.387 21.566 -2.290 1.00 2.89 C ATOM 288 CG PHE A 19 -11.174 20.368 -2.768 1.00 3.01 C ATOM 289 CD1 PHE A 19 -12.555 20.425 -2.911 1.00 3.31 C ATOM 290 CD2 PHE A 19 -10.526 19.177 -3.056 1.00 3.27 C ATOM 291 CE1 PHE A 19 -13.268 19.318 -3.333 1.00 3.50 C ATOM 292 CE2 PHE A 19 -11.234 18.070 -3.480 1.00 3.41 C ATOM 293 CZ PHE A 19 -12.605 18.139 -3.618 1.00 3.37 C ATOM 0 H PHE A 19 -8.734 21.851 -4.374 1.00 3.24 H new ATOM 0 HA PHE A 19 -11.281 23.094 -3.514 1.00 3.16 H new ATOM 0 HB2 PHE A 19 -9.380 21.238 -2.032 1.00 2.89 H new ATOM 0 HB3 PHE A 19 -10.845 21.937 -1.373 1.00 2.89 H new ATOM 0 HD1 PHE A 19 -13.077 21.344 -2.690 1.00 3.31 H new ATOM 0 HD2 PHE A 19 -9.453 19.114 -2.947 1.00 3.27 H new ATOM 0 HE1 PHE A 19 -14.341 19.374 -3.440 1.00 3.50 H new ATOM 0 HE2 PHE A 19 -10.714 17.150 -3.704 1.00 3.41 H new ATOM 0 HZ PHE A 19 -13.159 17.273 -3.948 1.00 3.37 H new ATOM 303 N ALA A 20 -8.398 24.261 -3.406 1.00 3.18 N ATOM 304 CA ALA A 20 -7.441 25.303 -2.946 1.00 3.22 C ATOM 305 C ALA A 20 -8.107 26.576 -2.400 1.00 3.51 C ATOM 306 O ALA A 20 -9.024 27.127 -3.014 1.00 3.80 O ATOM 307 CB ALA A 20 -6.481 25.678 -4.064 1.00 3.38 C ATOM 0 H ALA A 20 -8.194 23.898 -4.337 1.00 3.18 H new ATOM 0 HA ALA A 20 -6.903 24.850 -2.113 1.00 3.22 H new ATOM 0 HB1 ALA A 20 -5.789 26.441 -3.709 1.00 3.38 H new ATOM 0 HB2 ALA A 20 -5.921 24.796 -4.374 1.00 3.38 H new ATOM 0 HB3 ALA A 20 -7.044 26.066 -4.913 1.00 3.38 H new ATOM 354 N ASP A 24 -3.293 30.528 2.981 1.00 3.98 N ATOM 355 CA ASP A 24 -1.980 29.868 2.845 1.00 3.89 C ATOM 356 C ASP A 24 -1.992 28.836 1.704 1.00 3.62 C ATOM 357 O ASP A 24 -0.941 28.343 1.286 1.00 3.56 O ATOM 358 CB ASP A 24 -1.594 29.193 4.167 1.00 3.77 C ATOM 359 CG ASP A 24 -0.091 29.047 4.338 1.00 4.13 C ATOM 360 OD1 ASP A 24 0.457 28.008 3.912 1.00 4.50 O ATOM 361 OD2 ASP A 24 0.535 29.971 4.898 1.00 4.32 O ATOM 0 HA ASP A 24 -1.239 30.629 2.601 1.00 3.89 H new ATOM 0 HB2 ASP A 24 -1.994 29.775 4.997 1.00 3.77 H new ATOM 0 HB3 ASP A 24 -2.058 28.208 4.215 1.00 3.77 H new ATOM 366 N GLY A 25 -3.204 28.532 1.222 1.00 3.50 N ATOM 367 CA GLY A 25 -3.397 27.588 0.129 1.00 3.30 C ATOM 368 C GLY A 25 -3.609 26.212 0.680 1.00 2.90 C ATOM 369 O GLY A 25 -2.888 25.265 0.351 1.00 2.69 O ATOM 0 H GLY A 25 -4.070 28.934 1.581 1.00 3.50 H new ATOM 0 HA2 GLY A 25 -4.256 27.885 -0.473 1.00 3.30 H new ATOM 0 HA3 GLY A 25 -2.528 27.597 -0.529 1.00 3.30 H new ATOM 373 N THR A 26 -4.628 26.131 1.531 1.00 2.85 N ATOM 374 CA THR A 26 -4.969 24.910 2.223 1.00 2.53 C ATOM 375 C THR A 26 -6.314 24.329 1.783 1.00 2.45 C ATOM 376 O THR A 26 -7.003 24.905 0.936 1.00 2.66 O ATOM 377 CB THR A 26 -5.014 25.146 3.739 1.00 2.59 C ATOM 378 OG1 THR A 26 -6.038 26.085 4.092 1.00 2.84 O ATOM 379 CG2 THR A 26 -3.682 25.630 4.224 1.00 2.74 C ATOM 0 H THR A 26 -5.237 26.918 1.755 1.00 2.85 H new ATOM 0 HA THR A 26 -4.190 24.192 1.967 1.00 2.53 H new ATOM 0 HB THR A 26 -5.249 24.197 4.220 1.00 2.59 H new ATOM 0 HG1 THR A 26 -5.731 26.637 4.842 1.00 2.84 H new ATOM 0 HG21 THR A 26 -3.725 25.794 5.301 1.00 2.74 H new ATOM 0 HG22 THR A 26 -2.920 24.883 4.001 1.00 2.74 H new ATOM 0 HG23 THR A 26 -3.431 26.565 3.724 1.00 2.74 H new ATOM 387 N ILE A 27 -6.674 23.178 2.381 1.00 2.21 N ATOM 388 CA ILE A 27 -7.949 22.494 2.095 1.00 2.22 C ATOM 389 C ILE A 27 -8.425 21.783 3.363 1.00 2.15 C ATOM 390 O ILE A 27 -7.824 21.944 4.417 1.00 2.13 O ATOM 391 CB ILE A 27 -7.884 21.487 0.895 1.00 2.13 C ATOM 392 CG1 ILE A 27 -6.951 20.306 1.210 1.00 1.82 C ATOM 393 CG2 ILE A 27 -7.490 22.204 -0.398 1.00 2.31 C ATOM 394 CD1 ILE A 27 -7.095 19.138 0.253 1.00 1.79 C ATOM 0 H ILE A 27 -6.095 22.699 3.071 1.00 2.21 H new ATOM 0 HA ILE A 27 -8.659 23.262 1.788 1.00 2.22 H new ATOM 0 HB ILE A 27 -8.880 21.072 0.743 1.00 2.13 H new ATOM 0 HG12 ILE A 27 -5.919 20.655 1.189 1.00 1.82 H new ATOM 0 HG13 ILE A 27 -7.150 19.959 2.224 1.00 1.82 H new ATOM 0 HG21 ILE A 27 -7.452 21.484 -1.216 1.00 2.31 H new ATOM 0 HG22 ILE A 27 -8.227 22.974 -0.626 1.00 2.31 H new ATOM 0 HG23 ILE A 27 -6.510 22.665 -0.274 1.00 2.31 H new ATOM 0 HD11 ILE A 27 -6.405 18.345 0.540 1.00 1.79 H new ATOM 0 HD12 ILE A 27 -8.117 18.761 0.290 1.00 1.79 H new ATOM 0 HD13 ILE A 27 -6.867 19.468 -0.761 1.00 1.79 H new ATOM 406 N THR A 28 -9.510 21.031 3.266 1.00 2.23 N ATOM 407 CA THR A 28 -10.039 20.306 4.422 1.00 2.29 C ATOM 408 C THR A 28 -9.689 18.821 4.307 1.00 2.17 C ATOM 409 O THR A 28 -8.934 18.427 3.410 1.00 2.04 O ATOM 410 CB THR A 28 -11.569 20.518 4.601 1.00 2.57 C ATOM 411 OG1 THR A 28 -12.294 19.895 3.532 1.00 2.86 O ATOM 412 CG2 THR A 28 -11.933 22.001 4.659 1.00 3.10 C ATOM 0 H THR A 28 -10.043 20.904 2.406 1.00 2.23 H new ATOM 0 HA THR A 28 -9.569 20.711 5.318 1.00 2.29 H new ATOM 0 HB THR A 28 -11.846 20.057 5.549 1.00 2.57 H new ATOM 0 HG1 THR A 28 -12.994 20.502 3.214 1.00 2.86 H new ATOM 0 HG21 THR A 28 -13.011 22.107 4.785 1.00 3.10 H new ATOM 0 HG22 THR A 28 -11.422 22.468 5.501 1.00 3.10 H new ATOM 0 HG23 THR A 28 -11.626 22.487 3.733 1.00 3.10 H new ATOM 420 N THR A 29 -10.235 18.006 5.207 1.00 2.30 N ATOM 421 CA THR A 29 -9.919 16.582 5.243 1.00 2.30 C ATOM 422 C THR A 29 -10.796 15.701 4.360 1.00 2.50 C ATOM 423 O THR A 29 -10.279 14.855 3.626 1.00 2.44 O ATOM 424 CB THR A 29 -9.950 16.055 6.664 1.00 2.48 C ATOM 425 OG1 THR A 29 -11.125 16.504 7.353 1.00 2.75 O ATOM 426 CG2 THR A 29 -8.700 16.522 7.376 1.00 2.32 C ATOM 0 H THR A 29 -10.898 18.308 5.921 1.00 2.30 H new ATOM 0 HA THR A 29 -8.912 16.519 4.830 1.00 2.30 H new ATOM 0 HB THR A 29 -9.981 14.966 6.649 1.00 2.48 H new ATOM 0 HG1 THR A 29 -11.124 16.150 8.267 1.00 2.75 H new ATOM 0 HG21 THR A 29 -8.705 16.152 8.401 1.00 2.32 H new ATOM 0 HG22 THR A 29 -7.821 16.140 6.857 1.00 2.32 H new ATOM 0 HG23 THR A 29 -8.671 17.612 7.384 1.00 2.32 H new ATOM 434 N LYS A 30 -12.118 15.882 4.445 1.00 2.77 N ATOM 435 CA LYS A 30 -13.077 15.086 3.653 1.00 3.04 C ATOM 436 C LYS A 30 -12.762 15.130 2.149 1.00 2.98 C ATOM 437 O LYS A 30 -12.907 14.124 1.448 1.00 3.14 O ATOM 438 CB LYS A 30 -14.513 15.577 3.898 1.00 3.33 C ATOM 439 CG LYS A 30 -15.075 15.222 5.274 1.00 3.42 C ATOM 440 CD LYS A 30 -14.711 16.263 6.325 1.00 3.38 C ATOM 441 CE LYS A 30 -15.294 15.911 7.684 1.00 3.68 C ATOM 442 NZ LYS A 30 -14.949 16.927 8.716 1.00 3.70 N ATOM 0 H LYS A 30 -12.555 16.573 5.055 1.00 2.77 H new ATOM 0 HA LYS A 30 -12.984 14.051 3.983 1.00 3.04 H new ATOM 0 HB2 LYS A 30 -14.540 16.660 3.776 1.00 3.33 H new ATOM 0 HB3 LYS A 30 -15.164 15.154 3.133 1.00 3.33 H new ATOM 0 HG2 LYS A 30 -16.160 15.134 5.211 1.00 3.42 H new ATOM 0 HG3 LYS A 30 -14.694 14.248 5.581 1.00 3.42 H new ATOM 0 HD2 LYS A 30 -13.626 16.340 6.402 1.00 3.38 H new ATOM 0 HD3 LYS A 30 -15.078 17.241 6.013 1.00 3.38 H new ATOM 0 HE2 LYS A 30 -16.378 15.829 7.604 1.00 3.68 H new ATOM 0 HE3 LYS A 30 -14.922 14.935 7.997 1.00 3.68 H new ATOM 0 HZ1 LYS A 30 -15.365 16.650 9.628 1.00 3.70 H new ATOM 0 HZ2 LYS A 30 -13.915 16.988 8.811 1.00 3.70 H new ATOM 0 HZ3 LYS A 30 -15.325 17.853 8.431 1.00 3.70 H new ATOM 456 N GLU A 31 -12.333 16.304 1.678 1.00 2.81 N ATOM 457 CA GLU A 31 -11.987 16.514 0.267 1.00 2.81 C ATOM 458 C GLU A 31 -10.515 16.210 -0.047 1.00 2.52 C ATOM 459 O GLU A 31 -10.165 16.087 -1.226 1.00 2.57 O ATOM 460 CB GLU A 31 -12.323 17.953 -0.153 1.00 2.89 C ATOM 461 CG GLU A 31 -13.818 18.266 -0.182 1.00 3.24 C ATOM 462 CD GLU A 31 -14.375 18.631 1.182 1.00 3.22 C ATOM 463 OE1 GLU A 31 -14.182 19.788 1.611 1.00 3.26 O ATOM 464 OE2 GLU A 31 -15.008 17.763 1.816 1.00 3.60 O ATOM 0 H GLU A 31 -12.216 17.133 2.260 1.00 2.81 H new ATOM 0 HA GLU A 31 -12.586 15.807 -0.307 1.00 2.81 H new ATOM 0 HB2 GLU A 31 -11.832 18.643 0.533 1.00 2.89 H new ATOM 0 HB3 GLU A 31 -11.906 18.137 -1.143 1.00 2.89 H new ATOM 0 HG2 GLU A 31 -13.998 19.089 -0.874 1.00 3.24 H new ATOM 0 HG3 GLU A 31 -14.357 17.401 -0.569 1.00 3.24 H new ATOM 471 N LEU A 32 -9.645 16.083 0.982 1.00 2.26 N ATOM 472 CA LEU A 32 -8.221 15.801 0.723 1.00 1.98 C ATOM 473 C LEU A 32 -7.983 14.366 0.317 1.00 2.07 C ATOM 474 O LEU A 32 -7.092 14.082 -0.475 1.00 1.98 O ATOM 475 CB LEU A 32 -7.300 16.186 1.877 1.00 1.69 C ATOM 476 CG LEU A 32 -7.448 15.513 3.243 1.00 1.74 C ATOM 477 CD1 LEU A 32 -6.812 14.129 3.311 1.00 1.76 C ATOM 478 CD2 LEU A 32 -6.757 16.405 4.212 1.00 1.59 C ATOM 0 H LEU A 32 -9.896 16.169 1.967 1.00 2.26 H new ATOM 0 HA LEU A 32 -7.962 16.444 -0.118 1.00 1.98 H new ATOM 0 HB2 LEU A 32 -6.276 16.016 1.543 1.00 1.69 H new ATOM 0 HB3 LEU A 32 -7.410 17.259 2.033 1.00 1.69 H new ATOM 0 HG LEU A 32 -8.507 15.370 3.456 1.00 1.74 H new ATOM 0 HD11 LEU A 32 -6.955 13.711 4.308 1.00 1.76 H new ATOM 0 HD12 LEU A 32 -7.280 13.477 2.574 1.00 1.76 H new ATOM 0 HD13 LEU A 32 -5.745 14.208 3.100 1.00 1.76 H new ATOM 0 HD21 LEU A 32 -6.827 15.979 5.213 1.00 1.59 H new ATOM 0 HD22 LEU A 32 -5.708 16.504 3.932 1.00 1.59 H new ATOM 0 HD23 LEU A 32 -7.229 17.387 4.203 1.00 1.59 H new ATOM 490 N GLY A 33 -8.749 13.457 0.907 1.00 2.31 N ATOM 491 CA GLY A 33 -8.658 12.057 0.525 1.00 2.52 C ATOM 492 C GLY A 33 -9.090 11.878 -0.902 1.00 2.75 C ATOM 493 O GLY A 33 -8.807 10.861 -1.521 1.00 2.91 O ATOM 0 H GLY A 33 -9.429 13.660 1.640 1.00 2.31 H new ATOM 0 HA2 GLY A 33 -7.634 11.705 0.649 1.00 2.52 H new ATOM 0 HA3 GLY A 33 -9.285 11.452 1.181 1.00 2.52 H new ATOM 497 N THR A 34 -9.821 12.889 -1.398 1.00 2.81 N ATOM 498 CA THR A 34 -10.257 12.934 -2.780 1.00 3.07 C ATOM 499 C THR A 34 -9.041 13.179 -3.652 1.00 2.93 C ATOM 500 O THR A 34 -9.038 12.956 -4.866 1.00 3.16 O ATOM 501 CB THR A 34 -11.382 13.974 -3.029 1.00 3.23 C ATOM 502 OG1 THR A 34 -12.319 13.948 -1.944 1.00 3.30 O ATOM 503 CG2 THR A 34 -12.127 13.696 -4.333 1.00 3.60 C ATOM 0 H THR A 34 -10.120 13.691 -0.843 1.00 2.81 H new ATOM 0 HA THR A 34 -10.709 11.977 -3.040 1.00 3.07 H new ATOM 0 HB THR A 34 -10.912 14.955 -3.100 1.00 3.23 H new ATOM 0 HG1 THR A 34 -13.026 14.608 -2.106 1.00 3.30 H new ATOM 0 HG21 THR A 34 -12.907 14.444 -4.473 1.00 3.60 H new ATOM 0 HG22 THR A 34 -11.428 13.740 -5.168 1.00 3.60 H new ATOM 0 HG23 THR A 34 -12.579 12.705 -4.290 1.00 3.60 H new ATOM 511 N VAL A 35 -8.021 13.650 -2.958 1.00 2.56 N ATOM 512 CA VAL A 35 -6.691 13.857 -3.517 1.00 2.39 C ATOM 513 C VAL A 35 -6.037 12.498 -3.511 1.00 2.44 C ATOM 514 O VAL A 35 -5.301 12.164 -4.432 1.00 2.53 O ATOM 515 CB VAL A 35 -5.742 14.811 -2.703 1.00 2.01 C ATOM 516 CG1 VAL A 35 -4.332 14.830 -3.294 1.00 1.92 C ATOM 517 CG2 VAL A 35 -6.244 16.234 -2.629 1.00 2.02 C ATOM 0 H VAL A 35 -8.091 13.905 -1.973 1.00 2.56 H new ATOM 0 HA VAL A 35 -6.825 14.327 -4.491 1.00 2.39 H new ATOM 0 HB VAL A 35 -5.726 14.400 -1.693 1.00 2.01 H new ATOM 0 HG11 VAL A 35 -3.701 15.499 -2.708 1.00 1.92 H new ATOM 0 HG12 VAL A 35 -3.914 13.824 -3.270 1.00 1.92 H new ATOM 0 HG13 VAL A 35 -4.374 15.181 -4.325 1.00 1.92 H new ATOM 0 HG21 VAL A 35 -5.542 16.838 -2.054 1.00 2.02 H new ATOM 0 HG22 VAL A 35 -6.333 16.641 -3.636 1.00 2.02 H new ATOM 0 HG23 VAL A 35 -7.220 16.251 -2.144 1.00 2.02 H new ATOM 527 N MET A 36 -6.323 11.714 -2.448 1.00 2.44 N ATOM 528 CA MET A 36 -5.730 10.406 -2.323 1.00 2.55 C ATOM 529 C MET A 36 -6.480 9.340 -3.134 1.00 2.97 C ATOM 530 O MET A 36 -5.850 8.512 -3.798 1.00 3.11 O ATOM 531 CB MET A 36 -5.659 9.993 -0.852 1.00 2.49 C ATOM 532 CG MET A 36 -4.428 9.168 -0.493 1.00 2.24 C ATOM 533 SD MET A 36 -4.442 8.584 1.217 1.00 2.48 S ATOM 534 CE MET A 36 -3.955 10.062 2.111 1.00 1.96 C ATOM 0 H MET A 36 -6.951 11.976 -1.688 1.00 2.44 H new ATOM 0 HA MET A 36 -4.722 10.473 -2.732 1.00 2.55 H new ATOM 0 HB2 MET A 36 -5.674 10.890 -0.233 1.00 2.49 H new ATOM 0 HB3 MET A 36 -6.552 9.419 -0.604 1.00 2.49 H new ATOM 0 HG2 MET A 36 -4.364 8.311 -1.163 1.00 2.24 H new ATOM 0 HG3 MET A 36 -3.534 9.769 -0.658 1.00 2.24 H new ATOM 0 HE1 MET A 36 -4.449 10.079 3.082 1.00 1.96 H new ATOM 0 HE2 MET A 36 -2.874 10.062 2.253 1.00 1.96 H new ATOM 0 HE3 MET A 36 -4.245 10.944 1.541 1.00 1.96 H new ATOM 544 N ARG A 37 -7.829 9.393 -3.109 1.00 3.18 N ATOM 545 CA ARG A 37 -8.672 8.408 -3.758 1.00 3.60 C ATOM 546 C ARG A 37 -8.642 8.529 -5.295 1.00 3.77 C ATOM 547 O ARG A 37 -9.002 7.587 -6.009 1.00 4.10 O ATOM 548 CB ARG A 37 -10.097 8.566 -3.171 1.00 3.78 C ATOM 549 CG ARG A 37 -11.247 8.467 -4.162 1.00 4.18 C ATOM 550 CD ARG A 37 -11.591 7.019 -4.486 1.00 4.52 C ATOM 551 NE ARG A 37 -12.395 6.390 -3.431 1.00 4.90 N ATOM 552 CZ ARG A 37 -12.895 5.148 -3.489 1.00 5.36 C ATOM 553 NH1 ARG A 37 -12.688 4.370 -4.551 1.00 5.45 N ATOM 554 NH2 ARG A 37 -13.610 4.682 -2.474 1.00 5.91 N ATOM 0 H ARG A 37 -8.350 10.129 -2.632 1.00 3.18 H new ATOM 0 HA ARG A 37 -8.299 7.403 -3.559 1.00 3.60 H new ATOM 0 HB2 ARG A 37 -10.238 7.803 -2.405 1.00 3.78 H new ATOM 0 HB3 ARG A 37 -10.157 9.533 -2.673 1.00 3.78 H new ATOM 0 HG2 ARG A 37 -12.125 8.966 -3.751 1.00 4.18 H new ATOM 0 HG3 ARG A 37 -10.982 8.992 -5.080 1.00 4.18 H new ATOM 0 HD2 ARG A 37 -12.137 6.979 -5.429 1.00 4.52 H new ATOM 0 HD3 ARG A 37 -10.671 6.452 -4.626 1.00 4.52 H new ATOM 0 HE ARG A 37 -12.587 6.938 -2.593 1.00 4.90 H new ATOM 0 HH11 ARG A 37 -12.141 4.717 -5.339 1.00 5.45 H new ATOM 0 HH12 ARG A 37 -13.077 3.427 -4.576 1.00 5.45 H new ATOM 0 HH21 ARG A 37 -13.776 5.268 -1.656 1.00 5.91 H new ATOM 0 HH22 ARG A 37 -13.994 3.738 -2.511 1.00 5.91 H new ATOM 568 N SER A 38 -8.192 9.688 -5.778 1.00 3.57 N ATOM 569 CA SER A 38 -8.118 9.980 -7.217 1.00 3.76 C ATOM 570 C SER A 38 -6.983 9.218 -7.926 1.00 3.81 C ATOM 571 O SER A 38 -6.928 9.205 -9.160 1.00 4.08 O ATOM 572 CB SER A 38 -7.945 11.488 -7.429 1.00 3.59 C ATOM 573 OG SER A 38 -8.111 11.841 -8.793 1.00 3.89 O ATOM 0 H SER A 38 -7.868 10.453 -5.186 1.00 3.57 H new ATOM 0 HA SER A 38 -9.053 9.640 -7.662 1.00 3.76 H new ATOM 0 HB2 SER A 38 -8.671 12.028 -6.821 1.00 3.59 H new ATOM 0 HB3 SER A 38 -6.955 11.793 -7.090 1.00 3.59 H new ATOM 0 HG SER A 38 -7.756 11.126 -9.361 1.00 3.89 H new ATOM 579 N LEU A 39 -6.090 8.588 -7.150 1.00 3.59 N ATOM 580 CA LEU A 39 -4.965 7.838 -7.727 1.00 3.65 C ATOM 581 C LEU A 39 -5.154 6.323 -7.597 1.00 3.91 C ATOM 582 O LEU A 39 -4.405 5.546 -8.200 1.00 4.06 O ATOM 583 CB LEU A 39 -3.636 8.265 -7.093 1.00 3.29 C ATOM 584 CG LEU A 39 -3.363 9.767 -7.137 1.00 3.06 C ATOM 585 CD1 LEU A 39 -3.798 10.408 -5.841 1.00 2.78 C ATOM 586 CD2 LEU A 39 -1.905 10.057 -7.411 1.00 3.19 C ATOM 0 H LEU A 39 -6.123 8.582 -6.131 1.00 3.59 H new ATOM 0 HA LEU A 39 -4.939 8.077 -8.790 1.00 3.65 H new ATOM 0 HB2 LEU A 39 -3.623 7.937 -6.054 1.00 3.29 H new ATOM 0 HB3 LEU A 39 -2.823 7.746 -7.601 1.00 3.29 H new ATOM 0 HG LEU A 39 -3.941 10.193 -7.957 1.00 3.06 H new ATOM 0 HD11 LEU A 39 -3.600 11.479 -5.880 1.00 2.78 H new ATOM 0 HD12 LEU A 39 -4.865 10.241 -5.693 1.00 2.78 H new ATOM 0 HD13 LEU A 39 -3.244 9.967 -5.013 1.00 2.78 H new ATOM 0 HD21 LEU A 39 -1.747 11.135 -7.435 1.00 3.19 H new ATOM 0 HD22 LEU A 39 -1.292 9.618 -6.623 1.00 3.19 H new ATOM 0 HD23 LEU A 39 -1.623 9.627 -8.372 1.00 3.19 H new ATOM 598 N GLY A 40 -6.158 5.918 -6.813 1.00 4.01 N ATOM 599 CA GLY A 40 -6.442 4.501 -6.607 1.00 4.30 C ATOM 600 C GLY A 40 -6.120 4.024 -5.198 1.00 4.16 C ATOM 601 O GLY A 40 -5.930 2.825 -4.978 1.00 4.36 O ATOM 0 H GLY A 40 -6.783 6.551 -6.314 1.00 4.01 H new ATOM 0 HA2 GLY A 40 -7.496 4.314 -6.815 1.00 4.30 H new ATOM 0 HA3 GLY A 40 -5.867 3.914 -7.323 1.00 4.30 H new ATOM 605 N GLN A 41 -6.060 4.968 -4.245 1.00 3.86 N ATOM 606 CA GLN A 41 -5.764 4.664 -2.842 1.00 3.74 C ATOM 607 C GLN A 41 -6.506 5.661 -1.952 1.00 3.60 C ATOM 608 O GLN A 41 -6.234 6.856 -2.002 1.00 3.46 O ATOM 609 CB GLN A 41 -4.236 4.748 -2.603 1.00 3.47 C ATOM 610 CG GLN A 41 -3.750 4.207 -1.258 1.00 3.68 C ATOM 611 CD GLN A 41 -3.683 2.690 -1.217 1.00 3.94 C ATOM 612 OE1 GLN A 41 -4.652 2.023 -0.855 1.00 4.34 O ATOM 613 NE2 GLN A 41 -2.533 2.139 -1.588 1.00 4.15 N ATOM 0 H GLN A 41 -6.215 5.959 -4.428 1.00 3.86 H new ATOM 0 HA GLN A 41 -6.095 3.654 -2.598 1.00 3.74 H new ATOM 0 HB2 GLN A 41 -3.731 4.201 -3.399 1.00 3.47 H new ATOM 0 HB3 GLN A 41 -3.929 5.790 -2.688 1.00 3.47 H new ATOM 0 HG2 GLN A 41 -2.762 4.615 -1.044 1.00 3.68 H new ATOM 0 HG3 GLN A 41 -4.416 4.557 -0.470 1.00 3.68 H new ATOM 0 HE21 GLN A 41 -1.755 2.730 -1.881 1.00 4.15 H new ATOM 0 HE22 GLN A 41 -2.428 1.124 -1.580 1.00 4.15 H new ATOM 622 N ASN A 42 -7.412 5.165 -1.114 1.00 3.76 N ATOM 623 CA ASN A 42 -8.187 6.032 -0.243 1.00 3.68 C ATOM 624 C ASN A 42 -7.647 6.006 1.205 1.00 3.53 C ATOM 625 O ASN A 42 -7.108 4.980 1.631 1.00 3.67 O ATOM 626 CB ASN A 42 -9.682 5.650 -0.275 1.00 4.06 C ATOM 627 CG ASN A 42 -9.952 4.186 0.056 1.00 4.60 C ATOM 628 OD1 ASN A 42 -10.147 3.825 1.217 1.00 4.82 O ATOM 629 ND2 ASN A 42 -9.964 3.340 -0.968 1.00 5.19 N ATOM 0 H ASN A 42 -7.624 4.172 -1.022 1.00 3.76 H new ATOM 0 HA ASN A 42 -8.085 7.051 -0.618 1.00 3.68 H new ATOM 0 HB2 ASN A 42 -10.223 6.278 0.433 1.00 4.06 H new ATOM 0 HB3 ASN A 42 -10.082 5.868 -1.265 1.00 4.06 H new ATOM 0 HD21 ASN A 42 -10.140 2.348 -0.808 1.00 5.19 H new ATOM 0 HD22 ASN A 42 -9.797 3.682 -1.914 1.00 5.19 H new ATOM 636 N PRO A 43 -7.780 7.122 1.990 1.00 3.30 N ATOM 637 CA PRO A 43 -7.302 7.184 3.383 1.00 3.22 C ATOM 638 C PRO A 43 -8.352 6.708 4.399 1.00 3.54 C ATOM 639 O PRO A 43 -9.503 6.448 4.034 1.00 3.81 O ATOM 640 CB PRO A 43 -7.005 8.685 3.583 1.00 2.89 C ATOM 641 CG PRO A 43 -7.469 9.386 2.338 1.00 2.92 C ATOM 642 CD PRO A 43 -8.363 8.423 1.609 1.00 3.17 C ATOM 0 HA PRO A 43 -6.445 6.531 3.545 1.00 3.22 H new ATOM 0 HB2 PRO A 43 -7.526 9.069 4.460 1.00 2.89 H new ATOM 0 HB3 PRO A 43 -5.940 8.850 3.746 1.00 2.89 H new ATOM 0 HG2 PRO A 43 -8.007 10.301 2.586 1.00 2.92 H new ATOM 0 HG3 PRO A 43 -6.621 9.673 1.716 1.00 2.92 H new ATOM 0 HD2 PRO A 43 -9.403 8.513 1.923 1.00 3.17 H new ATOM 0 HD3 PRO A 43 -8.341 8.581 0.531 1.00 3.17 H new ATOM 650 N THR A 44 -7.940 6.599 5.675 1.00 3.56 N ATOM 651 CA THR A 44 -8.836 6.171 6.762 1.00 3.90 C ATOM 652 C THR A 44 -9.689 7.354 7.252 1.00 3.85 C ATOM 653 O THR A 44 -9.353 8.511 6.996 1.00 3.54 O ATOM 654 CB THR A 44 -8.044 5.571 7.953 1.00 4.01 C ATOM 655 OG1 THR A 44 -6.836 4.954 7.487 1.00 3.86 O ATOM 656 CG2 THR A 44 -8.875 4.532 8.700 1.00 4.50 C ATOM 0 H THR A 44 -6.988 6.803 5.978 1.00 3.56 H new ATOM 0 HA THR A 44 -9.488 5.395 6.361 1.00 3.90 H new ATOM 0 HB THR A 44 -7.804 6.388 8.633 1.00 4.01 H new ATOM 0 HG1 THR A 44 -6.146 5.021 8.180 1.00 3.86 H new ATOM 0 HG21 THR A 44 -8.294 4.129 9.529 1.00 4.50 H new ATOM 0 HG22 THR A 44 -9.781 4.999 9.085 1.00 4.50 H new ATOM 0 HG23 THR A 44 -9.145 3.724 8.020 1.00 4.50 H new ATOM 664 N GLU A 45 -10.785 7.046 7.959 1.00 4.21 N ATOM 665 CA GLU A 45 -11.713 8.072 8.469 1.00 4.27 C ATOM 666 C GLU A 45 -11.218 8.759 9.750 1.00 4.16 C ATOM 667 O GLU A 45 -11.523 9.934 9.976 1.00 4.02 O ATOM 668 CB GLU A 45 -13.092 7.454 8.724 1.00 4.73 C ATOM 669 CG GLU A 45 -13.874 7.147 7.454 1.00 4.87 C ATOM 670 CD GLU A 45 -15.234 6.541 7.739 1.00 5.41 C ATOM 671 OE1 GLU A 45 -15.324 5.298 7.821 1.00 5.67 O ATOM 672 OE2 GLU A 45 -16.208 7.310 7.881 1.00 5.89 O ATOM 0 H GLU A 45 -11.054 6.090 8.193 1.00 4.21 H new ATOM 0 HA GLU A 45 -11.774 8.840 7.698 1.00 4.27 H new ATOM 0 HB2 GLU A 45 -12.967 6.533 9.294 1.00 4.73 H new ATOM 0 HB3 GLU A 45 -13.676 8.135 9.343 1.00 4.73 H new ATOM 0 HG2 GLU A 45 -14.002 8.065 6.880 1.00 4.87 H new ATOM 0 HG3 GLU A 45 -13.297 6.461 6.834 1.00 4.87 H new ATOM 679 N ALA A 46 -10.459 8.030 10.578 1.00 4.29 N ATOM 680 CA ALA A 46 -9.949 8.570 11.847 1.00 4.30 C ATOM 681 C ALA A 46 -8.558 9.194 11.721 1.00 3.96 C ATOM 682 O ALA A 46 -8.166 10.000 12.571 1.00 3.93 O ATOM 683 CB ALA A 46 -9.922 7.481 12.906 1.00 4.70 C ATOM 0 H ALA A 46 -10.184 7.065 10.393 1.00 4.29 H new ATOM 0 HA ALA A 46 -10.633 9.367 12.140 1.00 4.30 H new ATOM 0 HB1 ALA A 46 -9.543 7.892 13.841 1.00 4.70 H new ATOM 0 HB2 ALA A 46 -10.931 7.099 13.061 1.00 4.70 H new ATOM 0 HB3 ALA A 46 -9.273 6.669 12.577 1.00 4.70 H new ATOM 689 N GLU A 47 -7.816 8.826 10.668 1.00 3.76 N ATOM 690 CA GLU A 47 -6.460 9.333 10.457 1.00 3.47 C ATOM 691 C GLU A 47 -6.423 10.725 9.849 1.00 3.09 C ATOM 692 O GLU A 47 -5.506 11.494 10.145 1.00 2.91 O ATOM 693 CB GLU A 47 -5.640 8.358 9.608 1.00 3.43 C ATOM 694 CG GLU A 47 -5.206 7.106 10.358 1.00 3.78 C ATOM 695 CD GLU A 47 -4.248 6.247 9.557 1.00 3.77 C ATOM 696 OE1 GLU A 47 -3.067 6.635 9.431 1.00 3.72 O ATOM 697 OE2 GLU A 47 -4.676 5.185 9.059 1.00 4.19 O ATOM 0 H GLU A 47 -8.136 8.177 9.949 1.00 3.76 H new ATOM 0 HA GLU A 47 -6.012 9.415 11.447 1.00 3.47 H new ATOM 0 HB2 GLU A 47 -6.228 8.064 8.739 1.00 3.43 H new ATOM 0 HB3 GLU A 47 -4.754 8.872 9.234 1.00 3.43 H new ATOM 0 HG2 GLU A 47 -4.731 7.395 11.295 1.00 3.78 H new ATOM 0 HG3 GLU A 47 -6.087 6.518 10.615 1.00 3.78 H new ATOM 704 N LEU A 48 -7.411 11.057 9.004 1.00 3.03 N ATOM 705 CA LEU A 48 -7.486 12.391 8.370 1.00 2.71 C ATOM 706 C LEU A 48 -7.462 13.498 9.417 1.00 2.75 C ATOM 707 O LEU A 48 -7.116 14.635 9.126 1.00 2.53 O ATOM 708 CB LEU A 48 -8.751 12.569 7.543 1.00 2.77 C ATOM 709 CG LEU A 48 -9.136 11.420 6.622 1.00 2.90 C ATOM 710 CD1 LEU A 48 -10.648 11.260 6.567 1.00 3.19 C ATOM 711 CD2 LEU A 48 -8.578 11.682 5.243 1.00 2.63 C ATOM 0 H LEU A 48 -8.168 10.426 8.742 1.00 3.03 H new ATOM 0 HA LEU A 48 -6.615 12.458 7.718 1.00 2.71 H new ATOM 0 HB2 LEU A 48 -9.581 12.749 8.226 1.00 2.77 H new ATOM 0 HB3 LEU A 48 -8.637 13.467 6.936 1.00 2.77 H new ATOM 0 HG LEU A 48 -8.717 10.492 7.010 1.00 2.90 H new ATOM 0 HD11 LEU A 48 -10.903 10.434 5.903 1.00 3.19 H new ATOM 0 HD12 LEU A 48 -11.029 11.053 7.567 1.00 3.19 H new ATOM 0 HD13 LEU A 48 -11.098 12.179 6.191 1.00 3.19 H new ATOM 0 HD21 LEU A 48 -8.850 10.862 4.578 1.00 2.63 H new ATOM 0 HD22 LEU A 48 -8.988 12.615 4.856 1.00 2.63 H new ATOM 0 HD23 LEU A 48 -7.492 11.759 5.298 1.00 2.63 H new ATOM 723 N GLN A 49 -7.888 13.144 10.623 1.00 3.08 N ATOM 724 CA GLN A 49 -7.897 14.062 11.752 1.00 3.22 C ATOM 725 C GLN A 49 -6.532 14.104 12.449 1.00 3.25 C ATOM 726 O GLN A 49 -6.104 15.174 12.884 1.00 3.25 O ATOM 727 CB GLN A 49 -8.980 13.659 12.761 1.00 3.61 C ATOM 728 CG GLN A 49 -10.407 13.934 12.295 1.00 3.67 C ATOM 729 CD GLN A 49 -10.815 15.388 12.456 1.00 4.10 C ATOM 730 OE1 GLN A 49 -11.345 15.786 13.494 1.00 4.58 O ATOM 731 NE2 GLN A 49 -10.567 16.190 11.426 1.00 4.30 N ATOM 0 H GLN A 49 -8.237 12.212 10.845 1.00 3.08 H new ATOM 0 HA GLN A 49 -8.116 15.057 11.365 1.00 3.22 H new ATOM 0 HB2 GLN A 49 -8.880 12.596 12.978 1.00 3.61 H new ATOM 0 HB3 GLN A 49 -8.806 14.193 13.695 1.00 3.61 H new ATOM 0 HG2 GLN A 49 -10.502 13.650 11.247 1.00 3.67 H new ATOM 0 HG3 GLN A 49 -11.095 13.305 12.860 1.00 3.67 H new ATOM 0 HE21 GLN A 49 -10.126 15.818 10.585 1.00 4.30 H new ATOM 0 HE22 GLN A 49 -10.818 17.177 11.477 1.00 4.30 H new ATOM 740 N ASP A 50 -5.855 12.940 12.561 1.00 3.34 N ATOM 741 CA ASP A 50 -4.553 12.874 13.245 1.00 3.43 C ATOM 742 C ASP A 50 -3.325 13.129 12.350 1.00 3.13 C ATOM 743 O ASP A 50 -2.520 14.002 12.675 1.00 3.13 O ATOM 744 CB ASP A 50 -4.376 11.559 13.982 1.00 3.76 C ATOM 745 CG ASP A 50 -5.395 11.354 15.089 1.00 4.11 C ATOM 746 OD1 ASP A 50 -6.466 10.774 14.810 1.00 4.38 O ATOM 747 OD2 ASP A 50 -5.121 11.773 16.233 1.00 4.38 O ATOM 0 H ASP A 50 -6.185 12.048 12.192 1.00 3.34 H new ATOM 0 HA ASP A 50 -4.590 13.703 13.952 1.00 3.43 H new ATOM 0 HB2 ASP A 50 -4.452 10.737 13.270 1.00 3.76 H new ATOM 0 HB3 ASP A 50 -3.373 11.520 14.408 1.00 3.76 H new ATOM 752 N MET A 51 -3.140 12.366 11.243 1.00 2.93 N ATOM 753 CA MET A 51 -1.947 12.576 10.375 1.00 2.66 C ATOM 754 C MET A 51 -1.985 13.930 9.704 1.00 2.39 C ATOM 755 O MET A 51 -0.941 14.503 9.377 1.00 2.30 O ATOM 756 CB MET A 51 -1.683 11.432 9.374 1.00 2.59 C ATOM 757 CG MET A 51 -2.911 10.756 8.791 1.00 2.35 C ATOM 758 SD MET A 51 -3.281 11.290 7.119 1.00 2.18 S ATOM 759 CE MET A 51 -4.907 10.594 6.963 1.00 2.48 C ATOM 0 H MET A 51 -3.773 11.627 10.936 1.00 2.93 H new ATOM 0 HA MET A 51 -1.087 12.558 11.045 1.00 2.66 H new ATOM 0 HB2 MET A 51 -1.086 11.827 8.552 1.00 2.59 H new ATOM 0 HB3 MET A 51 -1.078 10.674 9.872 1.00 2.59 H new ATOM 0 HG2 MET A 51 -2.761 9.676 8.796 1.00 2.35 H new ATOM 0 HG3 MET A 51 -3.770 10.962 9.430 1.00 2.35 H new ATOM 0 HE1 MET A 51 -5.485 11.178 6.247 1.00 2.48 H new ATOM 0 HE2 MET A 51 -4.830 9.564 6.614 1.00 2.48 H new ATOM 0 HE3 MET A 51 -5.405 10.612 7.932 1.00 2.48 H new ATOM 769 N ILE A 52 -3.194 14.439 9.527 1.00 2.33 N ATOM 770 CA ILE A 52 -3.410 15.762 8.990 1.00 2.15 C ATOM 771 C ILE A 52 -3.162 16.793 10.084 1.00 2.40 C ATOM 772 O ILE A 52 -2.877 17.948 9.811 1.00 2.36 O ATOM 773 CB ILE A 52 -4.830 15.863 8.397 1.00 2.10 C ATOM 774 CG1 ILE A 52 -4.740 15.671 6.900 1.00 1.78 C ATOM 775 CG2 ILE A 52 -5.550 17.166 8.739 1.00 2.22 C ATOM 776 CD1 ILE A 52 -5.314 14.363 6.423 1.00 1.85 C ATOM 0 H ILE A 52 -4.053 13.939 9.755 1.00 2.33 H new ATOM 0 HA ILE A 52 -2.710 15.962 8.179 1.00 2.15 H new ATOM 0 HB ILE A 52 -5.435 15.078 8.851 1.00 2.10 H new ATOM 0 HG12 ILE A 52 -5.263 16.489 6.405 1.00 1.78 H new ATOM 0 HG13 ILE A 52 -3.695 15.731 6.597 1.00 1.78 H new ATOM 0 HG21 ILE A 52 -6.542 17.163 8.287 1.00 2.22 H new ATOM 0 HG22 ILE A 52 -5.645 17.256 9.821 1.00 2.22 H new ATOM 0 HG23 ILE A 52 -4.978 18.010 8.353 1.00 2.22 H new ATOM 0 HD11 ILE A 52 -5.214 14.295 5.340 1.00 1.85 H new ATOM 0 HD12 ILE A 52 -4.776 13.538 6.889 1.00 1.85 H new ATOM 0 HD13 ILE A 52 -6.368 14.308 6.695 1.00 1.85 H new ATOM 788 N ASN A 53 -3.251 16.325 11.326 1.00 2.72 N ATOM 789 CA ASN A 53 -3.016 17.145 12.507 1.00 3.03 C ATOM 790 C ASN A 53 -1.543 17.419 12.670 1.00 3.09 C ATOM 791 O ASN A 53 -1.103 18.220 13.490 1.00 3.36 O ATOM 792 CB ASN A 53 -3.582 16.433 13.740 1.00 3.37 C ATOM 793 CG ASN A 53 -3.631 17.302 14.988 1.00 3.66 C ATOM 794 OD1 ASN A 53 -2.680 17.343 15.769 1.00 3.89 O ATOM 795 ND2 ASN A 53 -4.745 18.000 15.180 1.00 3.98 N ATOM 0 H ASN A 53 -3.490 15.357 11.541 1.00 2.72 H new ATOM 0 HA ASN A 53 -3.522 18.103 12.391 1.00 3.03 H new ATOM 0 HB2 ASN A 53 -4.589 16.082 13.514 1.00 3.37 H new ATOM 0 HB3 ASN A 53 -2.976 15.551 13.947 1.00 3.37 H new ATOM 0 HD21 ASN A 53 -4.836 18.599 16.000 1.00 3.98 H new ATOM 0 HD22 ASN A 53 -5.509 17.936 14.507 1.00 3.98 H new ATOM 802 N GLU A 54 -0.828 16.668 11.908 1.00 2.90 N ATOM 803 CA GLU A 54 0.616 16.773 11.815 1.00 2.96 C ATOM 804 C GLU A 54 1.004 17.781 10.734 1.00 2.77 C ATOM 805 O GLU A 54 2.135 18.277 10.715 1.00 2.93 O ATOM 806 CB GLU A 54 1.233 15.402 11.501 1.00 2.91 C ATOM 807 CG GLU A 54 1.130 14.402 12.646 1.00 3.22 C ATOM 808 CD GLU A 54 1.701 13.044 12.287 1.00 3.25 C ATOM 809 OE1 GLU A 54 0.938 12.195 11.780 1.00 3.56 O ATOM 810 OE2 GLU A 54 2.910 12.830 12.511 1.00 3.40 O ATOM 0 H GLU A 54 -1.224 15.942 11.312 1.00 2.90 H new ATOM 0 HA GLU A 54 1.000 17.119 12.775 1.00 2.96 H new ATOM 0 HB2 GLU A 54 0.740 14.985 10.622 1.00 2.91 H new ATOM 0 HB3 GLU A 54 2.283 15.538 11.243 1.00 2.91 H new ATOM 0 HG2 GLU A 54 1.657 14.795 13.515 1.00 3.22 H new ATOM 0 HG3 GLU A 54 0.084 14.288 12.931 1.00 3.22 H new ATOM 817 N VAL A 55 0.051 18.071 9.839 1.00 2.49 N ATOM 818 CA VAL A 55 0.287 19.011 8.735 1.00 2.36 C ATOM 819 C VAL A 55 -0.737 20.133 8.632 1.00 2.40 C ATOM 820 O VAL A 55 -0.468 21.148 7.981 1.00 2.49 O ATOM 821 CB VAL A 55 0.406 18.294 7.359 1.00 1.99 C ATOM 822 CG1 VAL A 55 1.607 17.371 7.350 1.00 2.37 C ATOM 823 CG2 VAL A 55 -0.857 17.502 7.001 1.00 2.07 C ATOM 0 H VAL A 55 -0.887 17.670 9.857 1.00 2.49 H new ATOM 0 HA VAL A 55 1.243 19.470 8.988 1.00 2.36 H new ATOM 0 HB VAL A 55 0.531 19.071 6.605 1.00 1.99 H new ATOM 0 HG11 VAL A 55 1.678 16.876 6.382 1.00 2.37 H new ATOM 0 HG12 VAL A 55 2.513 17.951 7.529 1.00 2.37 H new ATOM 0 HG13 VAL A 55 1.496 16.621 8.133 1.00 2.37 H new ATOM 0 HG21 VAL A 55 -0.722 17.021 6.032 1.00 2.07 H new ATOM 0 HG22 VAL A 55 -1.038 16.742 7.761 1.00 2.07 H new ATOM 0 HG23 VAL A 55 -1.710 18.179 6.955 1.00 2.07 H new ATOM 833 N ALA A 56 -1.893 19.965 9.260 1.00 2.43 N ATOM 834 CA ALA A 56 -2.925 20.984 9.194 1.00 2.53 C ATOM 835 C ALA A 56 -3.000 21.687 10.536 1.00 2.90 C ATOM 836 O ALA A 56 -3.945 22.426 10.837 1.00 3.05 O ATOM 837 CB ALA A 56 -4.246 20.359 8.783 1.00 2.36 C ATOM 0 H ALA A 56 -2.136 19.143 9.813 1.00 2.43 H new ATOM 0 HA ALA A 56 -2.685 21.730 8.437 1.00 2.53 H new ATOM 0 HB1 ALA A 56 -5.015 21.131 8.736 1.00 2.36 H new ATOM 0 HB2 ALA A 56 -4.139 19.893 7.803 1.00 2.36 H new ATOM 0 HB3 ALA A 56 -4.534 19.604 9.514 1.00 2.36 H new ATOM 843 N ALA A 57 -1.951 21.446 11.326 1.00 3.08 N ATOM 844 CA ALA A 57 -1.816 22.018 12.643 1.00 3.45 C ATOM 845 C ALA A 57 -0.802 23.137 12.662 1.00 3.67 C ATOM 846 O ALA A 57 0.320 23.009 12.168 1.00 3.69 O ATOM 847 CB ALA A 57 -1.463 20.958 13.664 1.00 3.64 C ATOM 0 H ALA A 57 -1.173 20.843 11.057 1.00 3.08 H new ATOM 0 HA ALA A 57 -2.783 22.443 12.912 1.00 3.45 H new ATOM 0 HB1 ALA A 57 -1.368 21.418 14.648 1.00 3.64 H new ATOM 0 HB2 ALA A 57 -2.249 20.203 13.691 1.00 3.64 H new ATOM 0 HB3 ALA A 57 -0.518 20.489 13.390 1.00 3.64 H new ATOM 886 N GLY A 61 -7.054 25.761 10.863 1.00 3.52 N ATOM 887 CA GLY A 61 -8.333 25.073 10.734 1.00 3.44 C ATOM 888 C GLY A 61 -8.433 24.181 9.503 1.00 3.11 C ATOM 889 O GLY A 61 -9.460 23.525 9.303 1.00 3.10 O ATOM 0 HA2 GLY A 61 -8.500 24.467 11.624 1.00 3.44 H new ATOM 0 HA3 GLY A 61 -9.131 25.814 10.699 1.00 3.44 H new ATOM 893 N THR A 62 -7.369 24.148 8.681 1.00 2.91 N ATOM 894 CA THR A 62 -7.334 23.309 7.477 1.00 2.61 C ATOM 895 C THR A 62 -5.914 22.815 7.168 1.00 2.41 C ATOM 896 O THR A 62 -4.969 23.095 7.911 1.00 2.55 O ATOM 897 CB THR A 62 -7.934 24.019 6.239 1.00 2.62 C ATOM 898 OG1 THR A 62 -7.510 25.386 6.192 1.00 2.84 O ATOM 899 CG2 THR A 62 -9.453 23.945 6.277 1.00 2.75 C ATOM 0 H THR A 62 -6.522 24.695 8.832 1.00 2.91 H new ATOM 0 HA THR A 62 -7.961 22.445 7.698 1.00 2.61 H new ATOM 0 HB THR A 62 -7.577 23.512 5.342 1.00 2.62 H new ATOM 0 HG1 THR A 62 -7.174 25.594 5.295 1.00 2.84 H new ATOM 0 HG21 THR A 62 -9.864 24.448 5.401 1.00 2.75 H new ATOM 0 HG22 THR A 62 -9.767 22.901 6.277 1.00 2.75 H new ATOM 0 HG23 THR A 62 -9.819 24.433 7.180 1.00 2.75 H new ATOM 907 N ILE A 63 -5.790 22.109 6.040 1.00 2.14 N ATOM 908 CA ILE A 63 -4.553 21.484 5.590 1.00 1.93 C ATOM 909 C ILE A 63 -3.905 22.238 4.467 1.00 1.95 C ATOM 910 O ILE A 63 -4.564 22.616 3.517 1.00 1.99 O ATOM 911 CB ILE A 63 -4.775 20.113 4.932 1.00 1.63 C ATOM 912 CG1 ILE A 63 -6.251 19.678 4.910 1.00 1.70 C ATOM 913 CG2 ILE A 63 -3.884 18.983 5.475 1.00 1.51 C ATOM 914 CD1 ILE A 63 -6.781 19.192 6.243 1.00 1.95 C ATOM 0 H ILE A 63 -6.570 21.955 5.401 1.00 2.14 H new ATOM 0 HA ILE A 63 -3.962 21.442 6.505 1.00 1.93 H new ATOM 0 HB ILE A 63 -4.459 20.281 3.902 1.00 1.63 H new ATOM 0 HG12 ILE A 63 -6.860 20.518 4.576 1.00 1.70 H new ATOM 0 HG13 ILE A 63 -6.372 18.884 4.173 1.00 1.70 H new ATOM 0 HG21 ILE A 63 -4.113 18.055 4.950 1.00 1.51 H new ATOM 0 HG22 ILE A 63 -2.836 19.239 5.319 1.00 1.51 H new ATOM 0 HG23 ILE A 63 -4.071 18.853 6.541 1.00 1.51 H new ATOM 0 HD11 ILE A 63 -7.827 18.906 6.136 1.00 1.95 H new ATOM 0 HD12 ILE A 63 -6.201 18.330 6.573 1.00 1.95 H new ATOM 0 HD13 ILE A 63 -6.696 19.990 6.981 1.00 1.95 H new ATOM 926 N ASP A 64 -2.604 22.335 4.535 1.00 2.01 N ATOM 927 CA ASP A 64 -1.818 22.962 3.499 1.00 2.12 C ATOM 928 C ASP A 64 -1.199 21.863 2.630 1.00 1.86 C ATOM 929 O ASP A 64 -1.039 20.731 3.094 1.00 1.62 O ATOM 930 CB ASP A 64 -0.738 23.908 4.048 1.00 2.46 C ATOM 931 CG ASP A 64 0.038 23.348 5.234 1.00 2.46 C ATOM 932 OD1 ASP A 64 1.075 22.690 5.009 1.00 2.68 O ATOM 933 OD2 ASP A 64 -0.396 23.569 6.384 1.00 2.74 O ATOM 0 H ASP A 64 -2.053 21.979 5.316 1.00 2.01 H new ATOM 0 HA ASP A 64 -2.478 23.592 2.903 1.00 2.12 H new ATOM 0 HB2 ASP A 64 -0.036 24.144 3.248 1.00 2.46 H new ATOM 0 HB3 ASP A 64 -1.209 24.845 4.346 1.00 2.46 H new ATOM 938 N PHE A 65 -0.843 22.191 1.387 1.00 1.97 N ATOM 939 CA PHE A 65 -0.306 21.194 0.450 1.00 1.80 C ATOM 940 C PHE A 65 1.154 20.736 0.756 1.00 1.83 C ATOM 941 O PHE A 65 1.399 19.527 0.784 1.00 1.60 O ATOM 942 CB PHE A 65 -0.391 21.721 -0.995 1.00 2.04 C ATOM 943 CG PHE A 65 -0.221 20.656 -2.057 1.00 1.95 C ATOM 944 CD1 PHE A 65 0.890 20.637 -2.882 1.00 2.40 C ATOM 945 CD2 PHE A 65 -1.182 19.678 -2.221 1.00 2.11 C ATOM 946 CE1 PHE A 65 1.028 19.659 -3.850 1.00 2.45 C ATOM 947 CE2 PHE A 65 -1.062 18.700 -3.178 1.00 2.08 C ATOM 948 CZ PHE A 65 0.049 18.691 -3.998 1.00 1.96 C ATOM 0 H PHE A 65 -0.915 23.134 1.004 1.00 1.97 H new ATOM 0 HA PHE A 65 -0.932 20.311 0.577 1.00 1.80 H new ATOM 0 HB2 PHE A 65 -1.356 22.207 -1.136 1.00 2.04 H new ATOM 0 HB3 PHE A 65 0.374 22.484 -1.137 1.00 2.04 H new ATOM 0 HD1 PHE A 65 1.655 21.391 -2.769 1.00 2.40 H new ATOM 0 HD2 PHE A 65 -2.051 19.682 -1.580 1.00 2.11 H new ATOM 0 HE1 PHE A 65 1.898 19.650 -4.490 1.00 2.45 H new ATOM 0 HE2 PHE A 65 -1.828 17.947 -3.288 1.00 2.08 H new ATOM 0 HZ PHE A 65 0.154 17.928 -4.755 1.00 1.96 H new ATOM 958 N PRO A 66 2.140 21.675 0.983 1.00 2.16 N ATOM 959 CA PRO A 66 3.577 21.353 1.223 1.00 2.30 C ATOM 960 C PRO A 66 3.890 20.092 2.065 1.00 2.09 C ATOM 961 O PRO A 66 4.602 19.206 1.588 1.00 2.04 O ATOM 962 CB PRO A 66 4.116 22.617 1.932 1.00 2.67 C ATOM 963 CG PRO A 66 2.954 23.550 2.073 1.00 2.78 C ATOM 964 CD PRO A 66 1.966 23.141 1.026 1.00 2.48 C ATOM 0 HA PRO A 66 4.044 21.105 0.270 1.00 2.30 H new ATOM 0 HB2 PRO A 66 4.534 22.367 2.907 1.00 2.67 H new ATOM 0 HB3 PRO A 66 4.915 23.077 1.351 1.00 2.67 H new ATOM 0 HG2 PRO A 66 2.517 23.481 3.069 1.00 2.78 H new ATOM 0 HG3 PRO A 66 3.266 24.585 1.932 1.00 2.78 H new ATOM 0 HD2 PRO A 66 0.948 23.422 1.296 1.00 2.48 H new ATOM 0 HD3 PRO A 66 2.179 23.604 0.063 1.00 2.48 H new ATOM 972 N GLU A 67 3.390 20.022 3.305 1.00 2.04 N ATOM 973 CA GLU A 67 3.671 18.883 4.190 1.00 1.95 C ATOM 974 C GLU A 67 2.679 17.742 4.089 1.00 1.60 C ATOM 975 O GLU A 67 2.922 16.641 4.589 1.00 1.59 O ATOM 976 CB GLU A 67 3.862 19.333 5.643 1.00 2.24 C ATOM 977 CG GLU A 67 5.101 20.190 5.869 1.00 2.61 C ATOM 978 CD GLU A 67 5.258 20.616 7.316 1.00 3.15 C ATOM 979 OE1 GLU A 67 4.728 21.686 7.680 1.00 3.47 O ATOM 980 OE2 GLU A 67 5.911 19.879 8.084 1.00 3.66 O ATOM 0 H GLU A 67 2.791 20.737 3.718 1.00 2.04 H new ATOM 0 HA GLU A 67 4.612 18.471 3.826 1.00 1.95 H new ATOM 0 HB2 GLU A 67 2.982 19.895 5.957 1.00 2.24 H new ATOM 0 HB3 GLU A 67 3.922 18.451 6.281 1.00 2.24 H new ATOM 0 HG2 GLU A 67 5.985 19.633 5.560 1.00 2.61 H new ATOM 0 HG3 GLU A 67 5.046 21.076 5.237 1.00 2.61 H new ATOM 987 N PHE A 68 1.579 18.020 3.447 1.00 1.40 N ATOM 988 CA PHE A 68 0.497 17.040 3.246 1.00 1.10 C ATOM 989 C PHE A 68 1.000 15.859 2.381 1.00 0.99 C ATOM 990 O PHE A 68 0.537 14.729 2.554 1.00 0.94 O ATOM 991 CB PHE A 68 -0.736 17.777 2.670 1.00 1.04 C ATOM 992 CG PHE A 68 -1.867 16.957 2.085 1.00 0.89 C ATOM 993 CD1 PHE A 68 -2.766 16.252 2.889 1.00 1.36 C ATOM 994 CD2 PHE A 68 -2.086 16.980 0.715 1.00 1.60 C ATOM 995 CE1 PHE A 68 -3.838 15.604 2.328 1.00 1.57 C ATOM 996 CE2 PHE A 68 -3.153 16.311 0.152 1.00 1.57 C ATOM 997 CZ PHE A 68 -4.037 15.627 0.955 1.00 1.15 C ATOM 0 H PHE A 68 1.387 18.934 3.037 1.00 1.40 H new ATOM 0 HA PHE A 68 0.185 16.591 4.189 1.00 1.10 H new ATOM 0 HB2 PHE A 68 -1.153 18.395 3.465 1.00 1.04 H new ATOM 0 HB3 PHE A 68 -0.383 18.454 1.893 1.00 1.04 H new ATOM 0 HD1 PHE A 68 -2.617 16.217 3.958 1.00 1.36 H new ATOM 0 HD2 PHE A 68 -1.410 17.531 0.079 1.00 1.60 H new ATOM 0 HE1 PHE A 68 -4.533 15.072 2.961 1.00 1.57 H new ATOM 0 HE2 PHE A 68 -3.295 16.324 -0.919 1.00 1.57 H new ATOM 0 HZ PHE A 68 -4.880 15.112 0.519 1.00 1.15 H new ATOM 1007 N LEU A 69 1.951 16.137 1.458 1.00 1.15 N ATOM 1008 CA LEU A 69 2.565 15.084 0.616 1.00 1.24 C ATOM 1009 C LEU A 69 3.703 14.373 1.346 1.00 1.42 C ATOM 1010 O LEU A 69 3.928 13.179 1.138 1.00 1.53 O ATOM 1011 CB LEU A 69 3.119 15.599 -0.720 1.00 1.51 C ATOM 1012 CG LEU A 69 2.547 16.901 -1.259 1.00 1.59 C ATOM 1013 CD1 LEU A 69 3.472 18.039 -0.906 1.00 1.82 C ATOM 1014 CD2 LEU A 69 2.383 16.812 -2.758 1.00 1.76 C ATOM 0 H LEU A 69 2.308 17.076 1.279 1.00 1.15 H new ATOM 0 HA LEU A 69 1.746 14.396 0.407 1.00 1.24 H new ATOM 0 HB2 LEU A 69 4.197 15.723 -0.612 1.00 1.51 H new ATOM 0 HB3 LEU A 69 2.961 14.825 -1.471 1.00 1.51 H new ATOM 0 HG LEU A 69 1.570 17.079 -0.811 1.00 1.59 H new ATOM 0 HD11 LEU A 69 3.063 18.973 -1.292 1.00 1.82 H new ATOM 0 HD12 LEU A 69 3.570 18.106 0.178 1.00 1.82 H new ATOM 0 HD13 LEU A 69 4.452 17.862 -1.348 1.00 1.82 H new ATOM 0 HD21 LEU A 69 1.973 17.749 -3.135 1.00 1.76 H new ATOM 0 HD22 LEU A 69 3.353 16.628 -3.220 1.00 1.76 H new ATOM 0 HD23 LEU A 69 1.705 15.994 -3.002 1.00 1.76 H new ATOM 1026 N THR A 70 4.436 15.123 2.188 1.00 1.58 N ATOM 1027 CA THR A 70 5.578 14.560 2.943 1.00 1.88 C ATOM 1028 C THR A 70 5.109 13.498 3.936 1.00 1.87 C ATOM 1029 O THR A 70 5.809 12.513 4.189 1.00 2.04 O ATOM 1030 CB THR A 70 6.381 15.645 3.697 1.00 2.19 C ATOM 1031 OG1 THR A 70 5.506 16.458 4.482 1.00 2.14 O ATOM 1032 CG2 THR A 70 7.165 16.522 2.728 1.00 2.80 C ATOM 0 H THR A 70 4.263 16.113 2.364 1.00 1.58 H new ATOM 0 HA THR A 70 6.237 14.104 2.204 1.00 1.88 H new ATOM 0 HB THR A 70 7.088 15.138 4.354 1.00 2.19 H new ATOM 0 HG1 THR A 70 4.592 16.109 4.421 1.00 2.14 H new ATOM 0 HG21 THR A 70 7.720 17.276 3.287 1.00 2.80 H new ATOM 0 HG22 THR A 70 7.862 15.905 2.161 1.00 2.80 H new ATOM 0 HG23 THR A 70 6.475 17.014 2.042 1.00 2.80 H new ATOM 1040 N MET A 71 3.915 13.725 4.487 1.00 1.77 N ATOM 1041 CA MET A 71 3.280 12.801 5.430 1.00 1.91 C ATOM 1042 C MET A 71 2.572 11.655 4.683 1.00 1.83 C ATOM 1043 O MET A 71 2.332 10.586 5.251 1.00 2.06 O ATOM 1044 CB MET A 71 2.299 13.561 6.345 1.00 2.01 C ATOM 1045 CG MET A 71 1.225 14.355 5.605 1.00 2.31 C ATOM 1046 SD MET A 71 -0.167 13.333 5.127 1.00 2.07 S ATOM 1047 CE MET A 71 -1.249 13.631 6.516 1.00 1.57 C ATOM 0 H MET A 71 3.359 14.558 4.291 1.00 1.77 H new ATOM 0 HA MET A 71 4.054 12.357 6.056 1.00 1.91 H new ATOM 0 HB2 MET A 71 1.812 12.845 7.007 1.00 2.01 H new ATOM 0 HB3 MET A 71 2.867 14.244 6.977 1.00 2.01 H new ATOM 0 HG2 MET A 71 0.875 15.168 6.241 1.00 2.31 H new ATOM 0 HG3 MET A 71 1.661 14.811 4.716 1.00 2.31 H new ATOM 0 HE1 MET A 71 -2.284 13.481 6.210 1.00 1.57 H new ATOM 0 HE2 MET A 71 -1.005 12.939 7.322 1.00 1.57 H new ATOM 0 HE3 MET A 71 -1.119 14.655 6.865 1.00 1.57 H new ATOM 1057 N MET A 72 2.242 11.912 3.398 1.00 1.61 N ATOM 1058 CA MET A 72 1.561 10.947 2.512 1.00 1.69 C ATOM 1059 C MET A 72 2.268 9.584 2.457 1.00 1.97 C ATOM 1060 O MET A 72 1.614 8.553 2.275 1.00 2.17 O ATOM 1061 CB MET A 72 1.456 11.533 1.099 1.00 1.60 C ATOM 1062 CG MET A 72 0.151 12.265 0.833 1.00 1.46 C ATOM 1063 SD MET A 72 -1.241 11.151 0.586 1.00 1.69 S ATOM 1064 CE MET A 72 -2.429 12.277 -0.138 1.00 1.53 C ATOM 0 H MET A 72 2.443 12.803 2.945 1.00 1.61 H new ATOM 0 HA MET A 72 0.568 10.774 2.928 1.00 1.69 H new ATOM 0 HB2 MET A 72 2.286 12.221 0.938 1.00 1.60 H new ATOM 0 HB3 MET A 72 1.564 10.727 0.373 1.00 1.60 H new ATOM 0 HG2 MET A 72 -0.065 12.928 1.671 1.00 1.46 H new ATOM 0 HG3 MET A 72 0.267 12.894 -0.049 1.00 1.46 H new ATOM 0 HE1 MET A 72 -3.017 11.751 -0.891 1.00 1.53 H new ATOM 0 HE2 MET A 72 -3.092 12.656 0.640 1.00 1.53 H new ATOM 0 HE3 MET A 72 -1.903 13.110 -0.605 1.00 1.53 H new ATOM 1207 N SER A 81 2.073 -3.314 1.988 1.00 3.49 N ATOM 1208 CA SER A 81 1.902 -4.760 1.855 1.00 3.36 C ATOM 1209 C SER A 81 3.138 -5.464 1.288 1.00 2.88 C ATOM 1210 O SER A 81 3.301 -6.674 1.461 1.00 2.79 O ATOM 1211 CB SER A 81 0.688 -5.066 0.977 1.00 3.71 C ATOM 1212 OG SER A 81 -0.508 -4.602 1.578 1.00 4.35 O ATOM 0 HA SER A 81 1.748 -5.148 2.862 1.00 3.36 H new ATOM 0 HB2 SER A 81 0.814 -4.597 0.001 1.00 3.71 H new ATOM 0 HB3 SER A 81 0.620 -6.141 0.807 1.00 3.71 H new ATOM 0 HG SER A 81 -0.415 -3.652 1.800 1.00 4.35 H new ATOM 1218 N GLU A 82 4.001 -4.698 0.620 1.00 2.97 N ATOM 1219 CA GLU A 82 5.227 -5.238 0.002 1.00 3.25 C ATOM 1220 C GLU A 82 6.349 -5.407 1.017 1.00 3.85 C ATOM 1221 O GLU A 82 7.241 -6.241 0.847 1.00 4.27 O ATOM 1222 CB GLU A 82 5.697 -4.326 -1.131 1.00 3.94 C ATOM 1223 CG GLU A 82 4.758 -4.282 -2.330 1.00 4.12 C ATOM 1224 CD GLU A 82 5.197 -3.277 -3.377 1.00 4.93 C ATOM 1225 OE1 GLU A 82 4.609 -2.176 -3.426 1.00 5.51 O ATOM 1226 OE2 GLU A 82 6.131 -3.589 -4.145 1.00 5.25 O ATOM 0 H GLU A 82 3.878 -3.694 0.489 1.00 2.97 H new ATOM 0 HA GLU A 82 4.980 -6.222 -0.396 1.00 3.25 H new ATOM 0 HB2 GLU A 82 5.818 -3.315 -0.742 1.00 3.94 H new ATOM 0 HB3 GLU A 82 6.680 -4.659 -1.466 1.00 3.94 H new ATOM 0 HG2 GLU A 82 4.705 -5.272 -2.782 1.00 4.12 H new ATOM 0 HG3 GLU A 82 3.753 -4.032 -1.991 1.00 4.12 H new ATOM 1233 N GLU A 83 6.300 -4.583 2.050 1.00 4.18 N ATOM 1234 CA GLU A 83 7.271 -4.627 3.148 1.00 5.12 C ATOM 1235 C GLU A 83 6.919 -5.756 4.124 1.00 5.33 C ATOM 1236 O GLU A 83 7.774 -6.236 4.873 1.00 6.21 O ATOM 1237 CB GLU A 83 7.311 -3.286 3.888 1.00 5.53 C ATOM 1238 CG GLU A 83 7.996 -2.173 3.109 1.00 5.74 C ATOM 1239 CD GLU A 83 8.048 -0.867 3.878 1.00 6.48 C ATOM 1240 OE1 GLU A 83 7.104 -0.061 3.745 1.00 6.88 O ATOM 1241 OE2 GLU A 83 9.034 -0.651 4.614 1.00 6.89 O ATOM 0 H GLU A 83 5.588 -3.861 2.158 1.00 4.18 H new ATOM 0 HA GLU A 83 8.257 -4.819 2.726 1.00 5.12 H new ATOM 0 HB2 GLU A 83 6.291 -2.979 4.120 1.00 5.53 H new ATOM 0 HB3 GLU A 83 7.827 -3.422 4.839 1.00 5.53 H new ATOM 0 HG2 GLU A 83 9.010 -2.482 2.857 1.00 5.74 H new ATOM 0 HG3 GLU A 83 7.468 -2.015 2.168 1.00 5.74 H new ATOM 1248 N GLU A 84 5.641 -6.164 4.091 1.00 4.72 N ATOM 1249 CA GLU A 84 5.108 -7.219 4.960 1.00 5.16 C ATOM 1250 C GLU A 84 5.365 -8.634 4.413 1.00 4.87 C ATOM 1251 O GLU A 84 5.515 -9.573 5.200 1.00 5.53 O ATOM 1252 CB GLU A 84 3.604 -7.007 5.169 1.00 5.11 C ATOM 1253 CG GLU A 84 3.267 -5.787 6.020 1.00 5.77 C ATOM 1254 CD GLU A 84 1.783 -5.471 6.036 1.00 6.38 C ATOM 1255 OE1 GLU A 84 1.149 -5.653 7.097 1.00 6.86 O ATOM 1256 OE2 GLU A 84 1.256 -5.041 4.989 1.00 6.68 O ATOM 0 H GLU A 84 4.947 -5.768 3.457 1.00 4.72 H new ATOM 0 HA GLU A 84 5.636 -7.146 5.911 1.00 5.16 H new ATOM 0 HB2 GLU A 84 3.122 -6.904 4.197 1.00 5.11 H new ATOM 0 HB3 GLU A 84 3.183 -7.895 5.641 1.00 5.11 H new ATOM 0 HG2 GLU A 84 3.608 -5.957 7.041 1.00 5.77 H new ATOM 0 HG3 GLU A 84 3.813 -4.923 5.641 1.00 5.77 H new ATOM 1263 N ILE A 85 5.417 -8.793 3.069 1.00 3.98 N ATOM 1264 CA ILE A 85 5.653 -10.114 2.443 1.00 3.69 C ATOM 1265 C ILE A 85 7.016 -10.681 2.777 1.00 4.63 C ATOM 1266 O ILE A 85 7.116 -11.786 3.313 1.00 5.03 O ATOM 1267 CB ILE A 85 5.432 -10.113 0.904 1.00 2.77 C ATOM 1268 CG1 ILE A 85 6.041 -8.875 0.233 1.00 3.16 C ATOM 1269 CG2 ILE A 85 3.951 -10.196 0.588 1.00 1.99 C ATOM 1270 CD1 ILE A 85 7.216 -9.180 -0.671 1.00 3.97 C ATOM 0 H ILE A 85 5.300 -8.029 2.403 1.00 3.98 H new ATOM 0 HA ILE A 85 4.898 -10.767 2.880 1.00 3.69 H new ATOM 0 HB ILE A 85 5.942 -10.989 0.503 1.00 2.77 H new ATOM 0 HG12 ILE A 85 5.268 -8.373 -0.349 1.00 3.16 H new ATOM 0 HG13 ILE A 85 6.362 -8.176 1.006 1.00 3.16 H new ATOM 0 HG21 ILE A 85 3.809 -10.195 -0.493 1.00 1.99 H new ATOM 0 HG22 ILE A 85 3.541 -11.115 1.007 1.00 1.99 H new ATOM 0 HG23 ILE A 85 3.438 -9.338 1.023 1.00 1.99 H new ATOM 0 HD11 ILE A 85 7.590 -8.254 -1.107 1.00 3.97 H new ATOM 0 HD12 ILE A 85 8.008 -9.653 -0.091 1.00 3.97 H new ATOM 0 HD13 ILE A 85 6.898 -9.853 -1.467 1.00 3.97 H new ATOM 1282 N ARG A 86 8.051 -9.908 2.497 1.00 5.19 N ATOM 1283 CA ARG A 86 9.428 -10.312 2.805 1.00 6.32 C ATOM 1284 C ARG A 86 9.578 -10.601 4.284 1.00 7.11 C ATOM 1285 O ARG A 86 10.488 -11.323 4.704 1.00 7.98 O ATOM 1286 CB ARG A 86 10.404 -9.200 2.490 1.00 6.99 C ATOM 1287 CG ARG A 86 11.409 -9.554 1.406 1.00 7.36 C ATOM 1288 CD ARG A 86 12.311 -8.376 1.072 1.00 8.25 C ATOM 1289 NE ARG A 86 13.261 -8.699 0.002 1.00 8.76 N ATOM 1290 CZ ARG A 86 14.057 -7.808 -0.609 1.00 9.65 C ATOM 1291 NH1 ARG A 86 14.037 -6.519 -0.271 1.00 10.08 N ATOM 1292 NH2 ARG A 86 14.878 -8.214 -1.567 1.00 10.26 N ATOM 0 H ARG A 86 7.972 -8.992 2.055 1.00 5.19 H new ATOM 0 HA ARG A 86 9.637 -11.196 2.203 1.00 6.32 H new ATOM 0 HB2 ARG A 86 9.846 -8.316 2.180 1.00 6.99 H new ATOM 0 HB3 ARG A 86 10.943 -8.934 3.399 1.00 6.99 H new ATOM 0 HG2 ARG A 86 12.017 -10.397 1.734 1.00 7.36 H new ATOM 0 HG3 ARG A 86 10.879 -9.873 0.508 1.00 7.36 H new ATOM 0 HD2 ARG A 86 11.700 -7.525 0.770 1.00 8.25 H new ATOM 0 HD3 ARG A 86 12.859 -8.074 1.965 1.00 8.25 H new ATOM 0 HE ARG A 86 13.321 -9.672 -0.300 1.00 8.76 H new ATOM 0 HH11 ARG A 86 13.409 -6.194 0.464 1.00 10.08 H new ATOM 0 HH12 ARG A 86 14.650 -5.857 -0.747 1.00 10.08 H new ATOM 0 HH21 ARG A 86 14.902 -9.198 -1.835 1.00 10.26 H new ATOM 0 HH22 ARG A 86 15.486 -7.543 -2.036 1.00 10.26 H new ATOM 1306 N GLU A 87 8.659 -10.023 5.061 1.00 6.95 N ATOM 1307 CA GLU A 87 8.699 -10.159 6.502 1.00 7.91 C ATOM 1308 C GLU A 87 7.992 -11.429 6.970 1.00 7.97 C ATOM 1309 O GLU A 87 8.352 -12.021 7.992 1.00 8.94 O ATOM 1310 CB GLU A 87 8.098 -8.932 7.192 1.00 8.02 C ATOM 1311 CG GLU A 87 9.031 -7.731 7.226 1.00 8.75 C ATOM 1312 CD GLU A 87 8.477 -6.585 8.051 1.00 9.11 C ATOM 1313 OE1 GLU A 87 7.739 -5.750 7.487 1.00 9.62 O ATOM 1314 OE2 GLU A 87 8.781 -6.524 9.261 1.00 9.05 O ATOM 0 H GLU A 87 7.884 -9.460 4.709 1.00 6.95 H new ATOM 0 HA GLU A 87 9.749 -10.235 6.785 1.00 7.91 H new ATOM 0 HB2 GLU A 87 7.178 -8.652 6.679 1.00 8.02 H new ATOM 0 HB3 GLU A 87 7.825 -9.198 8.213 1.00 8.02 H new ATOM 0 HG2 GLU A 87 9.994 -8.036 7.635 1.00 8.75 H new ATOM 0 HG3 GLU A 87 9.211 -7.387 6.208 1.00 8.75 H new ATOM 1321 N ALA A 88 6.981 -11.824 6.193 1.00 7.00 N ATOM 1322 CA ALA A 88 6.160 -13.001 6.481 1.00 7.06 C ATOM 1323 C ALA A 88 6.770 -14.283 5.917 1.00 7.01 C ATOM 1324 O ALA A 88 6.802 -15.313 6.582 1.00 7.73 O ATOM 1325 CB ALA A 88 4.773 -12.811 5.919 1.00 6.21 C ATOM 0 H ALA A 88 6.708 -11.333 5.342 1.00 7.00 H new ATOM 0 HA ALA A 88 6.113 -13.106 7.565 1.00 7.06 H new ATOM 0 HB1 ALA A 88 4.168 -13.691 6.137 1.00 6.21 H new ATOM 0 HB2 ALA A 88 4.314 -11.933 6.373 1.00 6.21 H new ATOM 0 HB3 ALA A 88 4.834 -12.671 4.840 1.00 6.21 H new ATOM 1331 N PHE A 89 7.186 -14.227 4.655 1.00 6.21 N ATOM 1332 CA PHE A 89 7.838 -15.353 3.973 1.00 6.21 C ATOM 1333 C PHE A 89 9.054 -15.909 4.725 1.00 7.49 C ATOM 1334 O PHE A 89 9.486 -17.033 4.460 1.00 7.70 O ATOM 1335 CB PHE A 89 8.191 -14.925 2.555 1.00 5.56 C ATOM 1336 CG PHE A 89 6.970 -14.906 1.709 1.00 4.24 C ATOM 1337 CD1 PHE A 89 6.648 -16.007 0.954 1.00 3.84 C ATOM 1338 CD2 PHE A 89 6.104 -13.818 1.727 1.00 3.79 C ATOM 1339 CE1 PHE A 89 5.498 -16.039 0.230 1.00 2.77 C ATOM 1340 CE2 PHE A 89 4.956 -13.835 0.993 1.00 2.72 C ATOM 1341 CZ PHE A 89 4.650 -14.957 0.240 1.00 1.93 C ATOM 0 H PHE A 89 7.082 -13.398 4.070 1.00 6.21 H new ATOM 0 HA PHE A 89 7.133 -16.184 3.945 1.00 6.21 H new ATOM 0 HB2 PHE A 89 8.649 -13.936 2.569 1.00 5.56 H new ATOM 0 HB3 PHE A 89 8.925 -15.610 2.132 1.00 5.56 H new ATOM 0 HD1 PHE A 89 7.315 -16.856 0.935 1.00 3.84 H new ATOM 0 HD2 PHE A 89 6.343 -12.953 2.327 1.00 3.79 H new ATOM 0 HE1 PHE A 89 5.251 -16.914 -0.353 1.00 2.77 H new ATOM 0 HE2 PHE A 89 4.292 -12.983 0.998 1.00 2.72 H new ATOM 0 HZ PHE A 89 3.741 -14.982 -0.342 1.00 1.93 H new ATOM 1351 N ARG A 90 9.597 -15.119 5.658 1.00 8.36 N ATOM 1352 CA ARG A 90 10.725 -15.553 6.483 1.00 9.63 C ATOM 1353 C ARG A 90 10.232 -16.443 7.638 1.00 10.20 C ATOM 1354 O ARG A 90 11.038 -17.057 8.344 1.00 11.20 O ATOM 1355 CB ARG A 90 11.486 -14.343 7.037 1.00 10.38 C ATOM 1356 CG ARG A 90 12.326 -13.615 5.996 1.00 10.73 C ATOM 1357 CD ARG A 90 13.143 -12.489 6.616 1.00 11.51 C ATOM 1358 NE ARG A 90 14.292 -12.991 7.382 1.00 12.01 N ATOM 1359 CZ ARG A 90 15.295 -12.229 7.843 1.00 12.77 C ATOM 1360 NH1 ARG A 90 15.317 -10.915 7.628 1.00 13.10 N ATOM 1361 NH2 ARG A 90 16.284 -12.792 8.524 1.00 13.29 N ATOM 0 H ARG A 90 9.271 -14.174 5.859 1.00 8.36 H new ATOM 0 HA ARG A 90 11.404 -16.133 5.857 1.00 9.63 H new ATOM 0 HB2 ARG A 90 10.771 -13.642 7.468 1.00 10.38 H new ATOM 0 HB3 ARG A 90 12.136 -14.674 7.847 1.00 10.38 H new ATOM 0 HG2 ARG A 90 12.995 -14.324 5.508 1.00 10.73 H new ATOM 0 HG3 ARG A 90 11.674 -13.208 5.223 1.00 10.73 H new ATOM 0 HD2 ARG A 90 13.497 -11.824 5.829 1.00 11.51 H new ATOM 0 HD3 ARG A 90 12.503 -11.897 7.270 1.00 11.51 H new ATOM 0 HE ARG A 90 14.330 -13.991 7.577 1.00 12.01 H new ATOM 0 HH11 ARG A 90 14.562 -10.471 7.105 1.00 13.10 H new ATOM 0 HH12 ARG A 90 16.088 -10.352 7.987 1.00 13.10 H new ATOM 0 HH21 ARG A 90 16.278 -13.798 8.694 1.00 13.29 H new ATOM 0 HH22 ARG A 90 17.050 -12.219 8.878 1.00 13.29 H new ATOM 1375 N VAL A 91 8.895 -16.504 7.813 1.00 9.66 N ATOM 1376 CA VAL A 91 8.270 -17.294 8.845 1.00 10.29 C ATOM 1377 C VAL A 91 7.759 -18.624 8.299 1.00 9.81 C ATOM 1378 O VAL A 91 7.972 -19.679 8.902 1.00 10.52 O ATOM 1379 CB VAL A 91 7.065 -16.578 9.492 1.00 10.33 C ATOM 1380 CG1 VAL A 91 7.018 -16.822 10.995 1.00 11.64 C ATOM 1381 CG2 VAL A 91 7.013 -15.088 9.187 1.00 9.85 C ATOM 0 H VAL A 91 8.232 -15.996 7.228 1.00 9.66 H new ATOM 0 HA VAL A 91 9.048 -17.454 9.591 1.00 10.29 H new ATOM 0 HB VAL A 91 6.178 -17.018 9.037 1.00 10.33 H new ATOM 0 HG11 VAL A 91 6.158 -16.305 11.421 1.00 11.64 H new ATOM 0 HG12 VAL A 91 6.930 -17.891 11.187 1.00 11.64 H new ATOM 0 HG13 VAL A 91 7.932 -16.445 11.454 1.00 11.64 H new ATOM 0 HG21 VAL A 91 6.142 -14.647 9.672 1.00 9.85 H new ATOM 0 HG22 VAL A 91 7.918 -14.608 9.560 1.00 9.85 H new ATOM 0 HG23 VAL A 91 6.942 -14.939 8.110 1.00 9.85 H new ATOM 1391 N PHE A 92 7.087 -18.546 7.150 1.00 8.63 N ATOM 1392 CA PHE A 92 6.473 -19.722 6.520 1.00 8.08 C ATOM 1393 C PHE A 92 7.353 -20.375 5.461 1.00 7.58 C ATOM 1394 O PHE A 92 7.270 -21.587 5.265 1.00 7.57 O ATOM 1395 CB PHE A 92 5.170 -19.324 5.825 1.00 7.14 C ATOM 1396 CG PHE A 92 4.214 -18.494 6.641 1.00 7.60 C ATOM 1397 CD1 PHE A 92 4.358 -17.113 6.717 1.00 7.95 C ATOM 1398 CD2 PHE A 92 3.136 -19.088 7.272 1.00 7.88 C ATOM 1399 CE1 PHE A 92 3.447 -16.350 7.411 1.00 8.45 C ATOM 1400 CE2 PHE A 92 2.227 -18.328 7.979 1.00 8.39 C ATOM 1401 CZ PHE A 92 2.380 -16.955 8.047 1.00 8.62 C ATOM 0 H PHE A 92 6.952 -17.678 6.632 1.00 8.63 H new ATOM 0 HA PHE A 92 6.312 -20.433 7.330 1.00 8.08 H new ATOM 0 HB2 PHE A 92 5.419 -18.771 4.919 1.00 7.14 H new ATOM 0 HB3 PHE A 92 4.656 -20.233 5.512 1.00 7.14 H new ATOM 0 HD1 PHE A 92 5.193 -16.635 6.227 1.00 7.95 H new ATOM 0 HD2 PHE A 92 3.004 -20.158 7.211 1.00 7.88 H new ATOM 0 HE1 PHE A 92 3.566 -15.278 7.459 1.00 8.45 H new ATOM 0 HE2 PHE A 92 1.397 -18.805 8.479 1.00 8.39 H new ATOM 0 HZ PHE A 92 1.667 -16.357 8.596 1.00 8.62 H new ATOM 1411 N ALA A 93 8.189 -19.582 4.787 1.00 7.32 N ATOM 1412 CA ALA A 93 9.073 -20.109 3.750 1.00 7.11 C ATOM 1413 C ALA A 93 10.496 -20.277 4.297 1.00 8.33 C ATOM 1414 O ALA A 93 10.827 -19.712 5.344 1.00 8.83 O ATOM 1415 CB ALA A 93 8.997 -19.240 2.483 1.00 6.22 C ATOM 0 H ALA A 93 8.271 -18.577 4.941 1.00 7.32 H new ATOM 0 HA ALA A 93 8.740 -21.104 3.454 1.00 7.11 H new ATOM 0 HB1 ALA A 93 9.662 -19.648 1.722 1.00 6.22 H new ATOM 0 HB2 ALA A 93 7.974 -19.235 2.106 1.00 6.22 H new ATOM 0 HB3 ALA A 93 9.301 -18.221 2.722 1.00 6.22 H new ATOM 1421 N LYS A 94 11.328 -21.075 3.584 1.00 8.92 N ATOM 1422 CA LYS A 94 12.731 -21.389 3.977 1.00 10.13 C ATOM 1423 C LYS A 94 12.768 -22.477 5.070 1.00 10.64 C ATOM 1424 O LYS A 94 13.383 -22.301 6.131 1.00 11.32 O ATOM 1425 CB LYS A 94 13.518 -20.131 4.436 1.00 10.90 C ATOM 1426 CG LYS A 94 13.973 -19.227 3.298 1.00 11.36 C ATOM 1427 CD LYS A 94 12.855 -18.305 2.819 1.00 11.16 C ATOM 1428 CE LYS A 94 12.823 -18.206 1.304 1.00 10.61 C ATOM 1429 NZ LYS A 94 13.990 -17.447 0.767 1.00 11.01 N ATOM 0 H LYS A 94 11.046 -21.524 2.713 1.00 8.92 H new ATOM 0 HA LYS A 94 13.226 -21.769 3.084 1.00 10.13 H new ATOM 0 HB2 LYS A 94 12.892 -19.553 5.116 1.00 10.90 H new ATOM 0 HB3 LYS A 94 14.393 -20.451 5.003 1.00 10.90 H new ATOM 0 HG2 LYS A 94 14.821 -18.627 3.628 1.00 11.36 H new ATOM 0 HG3 LYS A 94 14.320 -19.839 2.465 1.00 11.36 H new ATOM 0 HD2 LYS A 94 11.896 -18.677 3.180 1.00 11.16 H new ATOM 0 HD3 LYS A 94 12.993 -17.312 3.246 1.00 11.16 H new ATOM 0 HE2 LYS A 94 12.815 -19.208 0.876 1.00 10.61 H new ATOM 0 HE3 LYS A 94 11.899 -17.718 0.992 1.00 10.61 H new ATOM 0 HZ1 LYS A 94 13.860 -17.286 -0.252 1.00 11.01 H new ATOM 0 HZ2 LYS A 94 14.063 -16.532 1.255 1.00 11.01 H new ATOM 0 HZ3 LYS A 94 14.861 -17.993 0.923 1.00 11.01 H new ATOM 1443 N ASP A 95 12.099 -23.605 4.793 1.00 10.41 N ATOM 1444 CA ASP A 95 12.022 -24.721 5.730 1.00 10.95 C ATOM 1445 C ASP A 95 12.926 -25.900 5.335 1.00 11.36 C ATOM 1446 O ASP A 95 12.727 -27.035 5.788 1.00 11.72 O ATOM 1447 CB ASP A 95 10.560 -25.167 5.897 1.00 10.75 C ATOM 1448 CG ASP A 95 10.290 -25.813 7.245 1.00 10.79 C ATOM 1449 OD1 ASP A 95 9.935 -25.082 8.194 1.00 11.08 O ATOM 1450 OD2 ASP A 95 10.433 -27.049 7.350 1.00 10.72 O ATOM 0 H ASP A 95 11.601 -23.764 3.917 1.00 10.41 H new ATOM 0 HA ASP A 95 12.398 -24.366 6.690 1.00 10.95 H new ATOM 0 HB2 ASP A 95 9.906 -24.304 5.776 1.00 10.75 H new ATOM 0 HB3 ASP A 95 10.308 -25.872 5.105 1.00 10.75 H new ATOM 1455 N GLY A 96 13.925 -25.609 4.514 1.00 11.41 N ATOM 1456 CA GLY A 96 14.851 -26.639 4.046 1.00 11.89 C ATOM 1457 C GLY A 96 15.540 -26.267 2.764 1.00 11.67 C ATOM 1458 O GLY A 96 16.523 -25.522 2.747 1.00 11.82 O ATOM 0 H GLY A 96 14.117 -24.673 4.157 1.00 11.41 H new ATOM 0 HA2 GLY A 96 15.601 -26.823 4.815 1.00 11.89 H new ATOM 0 HA3 GLY A 96 14.306 -27.572 3.902 1.00 11.89 H new ATOM 1462 N ASN A 97 14.986 -26.816 1.690 1.00 11.48 N ATOM 1463 CA ASN A 97 15.446 -26.620 0.319 1.00 11.39 C ATOM 1464 C ASN A 97 15.364 -25.152 -0.117 1.00 11.24 C ATOM 1465 O ASN A 97 16.010 -24.728 -1.080 1.00 11.69 O ATOM 1466 CB ASN A 97 14.552 -27.472 -0.545 1.00 10.47 C ATOM 1467 CG ASN A 97 15.249 -28.014 -1.780 1.00 10.82 C ATOM 1468 OD1 ASN A 97 15.274 -27.367 -2.827 1.00 11.12 O ATOM 1469 ND2 ASN A 97 15.818 -29.208 -1.662 1.00 10.95 N ATOM 0 H ASN A 97 14.175 -27.432 1.751 1.00 11.48 H new ATOM 0 HA ASN A 97 16.495 -26.901 0.230 1.00 11.39 H new ATOM 0 HB2 ASN A 97 14.175 -28.306 0.046 1.00 10.47 H new ATOM 0 HB3 ASN A 97 13.688 -26.883 -0.853 1.00 10.47 H new ATOM 0 HD21 ASN A 97 16.300 -29.624 -2.459 1.00 10.95 H new ATOM 0 HD22 ASN A 97 15.773 -29.709 -0.775 1.00 10.95 H new ATOM 1476 N GLY A 98 14.555 -24.415 0.625 1.00 10.71 N ATOM 1477 CA GLY A 98 14.347 -22.993 0.409 1.00 10.57 C ATOM 1478 C GLY A 98 12.963 -22.651 -0.115 1.00 9.35 C ATOM 1479 O GLY A 98 12.547 -21.499 -0.008 1.00 9.23 O ATOM 0 H GLY A 98 14.017 -24.793 1.405 1.00 10.71 H new ATOM 0 HA2 GLY A 98 14.511 -22.464 1.348 1.00 10.57 H new ATOM 0 HA3 GLY A 98 15.093 -22.629 -0.297 1.00 10.57 H new ATOM 1483 N TYR A 99 12.218 -23.651 -0.604 1.00 8.53 N ATOM 1484 CA TYR A 99 10.869 -23.421 -1.089 1.00 7.35 C ATOM 1485 C TYR A 99 9.889 -24.331 -0.358 1.00 6.60 C ATOM 1486 O TYR A 99 9.978 -25.556 -0.462 1.00 6.68 O ATOM 1487 CB TYR A 99 10.732 -23.585 -2.628 1.00 7.03 C ATOM 1488 CG TYR A 99 11.002 -24.961 -3.229 1.00 7.42 C ATOM 1489 CD1 TYR A 99 10.086 -25.525 -4.124 1.00 7.29 C ATOM 1490 CD2 TYR A 99 12.156 -25.682 -2.933 1.00 8.16 C ATOM 1491 CE1 TYR A 99 10.321 -26.762 -4.694 1.00 7.85 C ATOM 1492 CE2 TYR A 99 12.389 -26.921 -3.500 1.00 8.71 C ATOM 1493 CZ TYR A 99 11.471 -27.455 -4.378 1.00 8.53 C ATOM 1494 OH TYR A 99 11.705 -28.687 -4.946 1.00 9.21 O ATOM 0 H TYR A 99 12.533 -24.619 -0.670 1.00 8.53 H new ATOM 0 HA TYR A 99 10.630 -22.379 -0.875 1.00 7.35 H new ATOM 0 HB2 TYR A 99 9.720 -23.292 -2.906 1.00 7.03 H new ATOM 0 HB3 TYR A 99 11.411 -22.875 -3.101 1.00 7.03 H new ATOM 0 HD1 TYR A 99 9.183 -24.987 -4.373 1.00 7.29 H new ATOM 0 HD2 TYR A 99 12.881 -25.266 -2.249 1.00 8.16 H new ATOM 0 HE1 TYR A 99 9.606 -27.185 -5.385 1.00 7.85 H new ATOM 0 HE2 TYR A 99 13.287 -27.469 -3.256 1.00 8.71 H new ATOM 0 HH TYR A 99 12.559 -29.041 -4.620 1.00 9.21 H new ATOM 1504 N ILE A 100 8.967 -23.724 0.395 1.00 6.19 N ATOM 1505 CA ILE A 100 7.952 -24.478 1.143 1.00 5.73 C ATOM 1506 C ILE A 100 6.832 -24.950 0.212 1.00 4.64 C ATOM 1507 O ILE A 100 6.974 -24.875 -1.010 1.00 4.17 O ATOM 1508 CB ILE A 100 7.351 -23.653 2.328 1.00 5.84 C ATOM 1509 CG1 ILE A 100 7.042 -22.175 1.959 1.00 5.96 C ATOM 1510 CG2 ILE A 100 8.299 -23.713 3.514 1.00 5.70 C ATOM 1511 CD1 ILE A 100 5.863 -21.975 1.021 1.00 6.65 C ATOM 0 H ILE A 100 8.901 -22.712 0.504 1.00 6.19 H new ATOM 0 HA ILE A 100 8.455 -25.346 1.569 1.00 5.73 H new ATOM 0 HB ILE A 100 6.393 -24.107 2.582 1.00 5.84 H new ATOM 0 HG12 ILE A 100 6.853 -21.620 2.878 1.00 5.96 H new ATOM 0 HG13 ILE A 100 7.929 -21.739 1.500 1.00 5.96 H new ATOM 0 HG21 ILE A 100 7.883 -23.139 4.342 1.00 5.70 H new ATOM 0 HG22 ILE A 100 8.431 -24.750 3.822 1.00 5.70 H new ATOM 0 HG23 ILE A 100 9.264 -23.293 3.230 1.00 5.70 H new ATOM 0 HD11 ILE A 100 5.730 -20.911 0.825 1.00 6.65 H new ATOM 0 HD12 ILE A 100 6.052 -22.496 0.082 1.00 6.65 H new ATOM 0 HD13 ILE A 100 4.960 -22.375 1.482 1.00 6.65 H new ATOM 1523 N SER A 101 5.726 -25.437 0.787 1.00 4.56 N ATOM 1524 CA SER A 101 4.601 -25.885 -0.004 1.00 3.87 C ATOM 1525 C SER A 101 3.729 -24.712 -0.416 1.00 3.18 C ATOM 1526 O SER A 101 3.469 -23.803 0.378 1.00 3.33 O ATOM 1527 CB SER A 101 3.770 -26.924 0.746 1.00 4.59 C ATOM 1528 OG SER A 101 4.588 -27.962 1.260 1.00 5.48 O ATOM 0 H SER A 101 5.597 -25.526 1.795 1.00 4.56 H new ATOM 0 HA SER A 101 5.000 -26.356 -0.902 1.00 3.87 H new ATOM 0 HB2 SER A 101 3.233 -26.443 1.563 1.00 4.59 H new ATOM 0 HB3 SER A 101 3.020 -27.346 0.077 1.00 4.59 H new ATOM 0 HG SER A 101 4.031 -28.612 1.737 1.00 5.48 H new ATOM 1534 N ALA A 102 3.291 -24.753 -1.676 1.00 2.74 N ATOM 1535 CA ALA A 102 2.425 -23.716 -2.278 1.00 2.63 C ATOM 1536 C ALA A 102 1.169 -23.401 -1.443 1.00 3.39 C ATOM 1537 O ALA A 102 0.532 -22.364 -1.645 1.00 3.61 O ATOM 1538 CB ALA A 102 2.017 -24.138 -3.681 1.00 3.06 C ATOM 0 H ALA A 102 3.525 -25.509 -2.319 1.00 2.74 H new ATOM 0 HA ALA A 102 3.014 -22.800 -2.309 1.00 2.63 H new ATOM 0 HB1 ALA A 102 1.379 -23.371 -4.121 1.00 3.06 H new ATOM 0 HB2 ALA A 102 2.908 -24.265 -4.296 1.00 3.06 H new ATOM 0 HB3 ALA A 102 1.471 -25.080 -3.633 1.00 3.06 H new ATOM 1544 N ALA A 103 0.829 -24.305 -0.511 1.00 4.09 N ATOM 1545 CA ALA A 103 -0.340 -24.149 0.363 1.00 5.20 C ATOM 1546 C ALA A 103 -0.107 -23.136 1.496 1.00 5.47 C ATOM 1547 O ALA A 103 -1.071 -22.629 2.077 1.00 6.33 O ATOM 1548 CB ALA A 103 -0.734 -25.498 0.945 1.00 5.96 C ATOM 0 H ALA A 103 1.356 -25.162 -0.344 1.00 4.09 H new ATOM 0 HA ALA A 103 -1.149 -23.756 -0.253 1.00 5.20 H new ATOM 0 HB1 ALA A 103 -1.602 -25.375 1.593 1.00 5.96 H new ATOM 0 HB2 ALA A 103 -0.979 -26.186 0.136 1.00 5.96 H new ATOM 0 HB3 ALA A 103 0.097 -25.901 1.524 1.00 5.96 H new ATOM 1554 N GLU A 104 1.172 -22.844 1.804 1.00 4.91 N ATOM 1555 CA GLU A 104 1.527 -21.899 2.881 1.00 5.33 C ATOM 1556 C GLU A 104 1.309 -20.439 2.470 1.00 4.76 C ATOM 1557 O GLU A 104 0.873 -19.636 3.292 1.00 5.38 O ATOM 1558 CB GLU A 104 2.981 -22.091 3.336 1.00 5.44 C ATOM 1559 CG GLU A 104 3.271 -23.445 3.981 1.00 6.31 C ATOM 1560 CD GLU A 104 2.805 -23.527 5.425 1.00 6.92 C ATOM 1561 OE1 GLU A 104 3.604 -23.199 6.326 1.00 7.26 O ATOM 1562 OE2 GLU A 104 1.641 -23.919 5.651 1.00 7.37 O ATOM 0 H GLU A 104 1.975 -23.248 1.323 1.00 4.91 H new ATOM 0 HA GLU A 104 0.858 -22.121 3.713 1.00 5.33 H new ATOM 0 HB2 GLU A 104 3.637 -21.965 2.475 1.00 5.44 H new ATOM 0 HB3 GLU A 104 3.233 -21.303 4.046 1.00 5.44 H new ATOM 0 HG2 GLU A 104 2.782 -24.229 3.402 1.00 6.31 H new ATOM 0 HG3 GLU A 104 4.343 -23.639 3.939 1.00 6.31 H new ATOM 1569 N LEU A 105 1.649 -20.097 1.209 1.00 3.64 N ATOM 1570 CA LEU A 105 1.472 -18.737 0.655 1.00 3.09 C ATOM 1571 C LEU A 105 0.119 -18.136 0.954 1.00 4.03 C ATOM 1572 O LEU A 105 0.015 -16.951 1.276 1.00 4.13 O ATOM 1573 CB LEU A 105 1.615 -18.753 -0.868 1.00 2.35 C ATOM 1574 CG LEU A 105 2.782 -19.581 -1.448 1.00 1.65 C ATOM 1575 CD1 LEU A 105 2.500 -19.972 -2.887 1.00 2.00 C ATOM 1576 CD2 LEU A 105 4.094 -18.814 -1.347 1.00 1.38 C ATOM 0 H LEU A 105 2.055 -20.757 0.545 1.00 3.64 H new ATOM 0 HA LEU A 105 2.244 -18.135 1.134 1.00 3.09 H new ATOM 0 HB2 LEU A 105 0.685 -19.132 -1.293 1.00 2.35 H new ATOM 0 HB3 LEU A 105 1.726 -17.724 -1.210 1.00 2.35 H new ATOM 0 HG LEU A 105 2.876 -20.493 -0.858 1.00 1.65 H new ATOM 0 HD11 LEU A 105 3.335 -20.555 -3.276 1.00 2.00 H new ATOM 0 HD12 LEU A 105 1.589 -20.569 -2.930 1.00 2.00 H new ATOM 0 HD13 LEU A 105 2.373 -19.073 -3.490 1.00 2.00 H new ATOM 0 HD21 LEU A 105 4.901 -19.418 -1.762 1.00 1.38 H new ATOM 0 HD22 LEU A 105 4.014 -17.881 -1.906 1.00 1.38 H new ATOM 0 HD23 LEU A 105 4.307 -18.593 -0.301 1.00 1.38 H new ATOM 1588 N ARG A 106 -0.912 -18.962 0.837 1.00 4.83 N ATOM 1589 CA ARG A 106 -2.278 -18.520 1.081 1.00 5.95 C ATOM 1590 C ARG A 106 -2.435 -18.129 2.534 1.00 6.65 C ATOM 1591 O ARG A 106 -3.272 -17.311 2.884 1.00 7.39 O ATOM 1592 CB ARG A 106 -3.325 -19.596 0.725 1.00 6.81 C ATOM 1593 CG ARG A 106 -3.181 -20.235 -0.662 1.00 6.46 C ATOM 1594 CD ARG A 106 -2.196 -21.386 -0.657 1.00 5.99 C ATOM 1595 NE ARG A 106 -2.359 -22.259 -1.825 1.00 6.40 N ATOM 1596 CZ ARG A 106 -2.890 -23.490 -1.793 1.00 6.89 C ATOM 1597 NH1 ARG A 106 -3.326 -24.025 -0.654 1.00 7.08 N ATOM 1598 NH2 ARG A 106 -2.986 -24.190 -2.915 1.00 7.37 N ATOM 0 H ARG A 106 -0.828 -19.944 0.574 1.00 4.83 H new ATOM 0 HA ARG A 106 -2.458 -17.663 0.432 1.00 5.95 H new ATOM 0 HB2 ARG A 106 -3.276 -20.386 1.475 1.00 6.81 H new ATOM 0 HB3 ARG A 106 -4.317 -19.149 0.797 1.00 6.81 H new ATOM 0 HG2 ARG A 106 -4.154 -20.592 -0.999 1.00 6.46 H new ATOM 0 HG3 ARG A 106 -2.853 -19.480 -1.377 1.00 6.46 H new ATOM 0 HD2 ARG A 106 -1.180 -20.992 -0.639 1.00 5.99 H new ATOM 0 HD3 ARG A 106 -2.328 -21.971 0.253 1.00 5.99 H new ATOM 0 HE ARG A 106 -2.045 -21.903 -2.728 1.00 6.40 H new ATOM 0 HH11 ARG A 106 -3.259 -23.497 0.216 1.00 7.08 H new ATOM 0 HH12 ARG A 106 -3.727 -24.963 -0.652 1.00 7.08 H new ATOM 0 HH21 ARG A 106 -2.657 -23.792 -3.794 1.00 7.37 H new ATOM 0 HH22 ARG A 106 -3.389 -25.127 -2.899 1.00 7.37 H new ATOM 1612 N HIS A 107 -1.625 -18.767 3.359 1.00 6.60 N ATOM 1613 CA HIS A 107 -1.562 -18.488 4.772 1.00 7.43 C ATOM 1614 C HIS A 107 -0.584 -17.335 5.024 1.00 6.90 C ATOM 1615 O HIS A 107 -0.631 -16.713 6.082 1.00 7.61 O ATOM 1616 CB HIS A 107 -1.136 -19.730 5.562 1.00 8.00 C ATOM 1617 CG HIS A 107 -2.167 -20.818 5.582 1.00 8.87 C ATOM 1618 ND1 HIS A 107 -2.495 -21.746 4.651 1.00 9.79 N flip ATOM 1619 CD2 HIS A 107 -3.001 -21.045 6.656 1.00 9.07 C flip ATOM 1620 CE1 HIS A 107 -3.509 -22.507 5.176 1.00 10.41 C flip ATOM 1621 NE2 HIS A 107 -3.796 -22.066 6.386 1.00 10.03 N flip ATOM 0 H HIS A 107 -0.986 -19.502 3.057 1.00 6.60 H new ATOM 0 HA HIS A 107 -2.556 -18.201 5.114 1.00 7.43 H new ATOM 0 HB2 HIS A 107 -0.214 -20.123 5.133 1.00 8.00 H new ATOM 0 HB3 HIS A 107 -0.911 -19.437 6.587 1.00 8.00 H new ATOM 0 HD1 HIS A 107 -2.068 -21.858 3.732 1.00 9.79 H new ATOM 0 HD2 HIS A 107 -3.004 -20.477 7.575 1.00 9.07 H new ATOM 0 HE1 HIS A 107 -3.994 -23.334 4.679 1.00 10.41 H new ATOM 1630 N VAL A 108 0.310 -17.062 4.039 1.00 5.69 N ATOM 1631 CA VAL A 108 1.290 -15.986 4.160 1.00 5.20 C ATOM 1632 C VAL A 108 0.721 -14.649 3.729 1.00 4.84 C ATOM 1633 O VAL A 108 0.643 -13.722 4.536 1.00 5.36 O ATOM 1634 CB VAL A 108 2.574 -16.287 3.327 1.00 4.27 C ATOM 1635 CG1 VAL A 108 3.620 -15.198 3.504 1.00 4.16 C ATOM 1636 CG2 VAL A 108 3.154 -17.655 3.641 1.00 4.80 C ATOM 0 H VAL A 108 0.361 -17.578 3.161 1.00 5.69 H new ATOM 0 HA VAL A 108 1.552 -15.930 5.217 1.00 5.20 H new ATOM 0 HB VAL A 108 2.272 -16.297 2.280 1.00 4.27 H new ATOM 0 HG11 VAL A 108 4.501 -15.440 2.910 1.00 4.16 H new ATOM 0 HG12 VAL A 108 3.211 -14.243 3.174 1.00 4.16 H new ATOM 0 HG13 VAL A 108 3.899 -15.129 4.555 1.00 4.16 H new ATOM 0 HG21 VAL A 108 4.046 -17.819 3.037 1.00 4.80 H new ATOM 0 HG22 VAL A 108 3.417 -17.705 4.698 1.00 4.80 H new ATOM 0 HG23 VAL A 108 2.416 -18.424 3.414 1.00 4.80 H new ATOM 1646 N MET A 109 0.373 -14.550 2.452 1.00 4.11 N ATOM 1647 CA MET A 109 -0.239 -13.338 1.903 1.00 4.08 C ATOM 1648 C MET A 109 -1.455 -12.949 2.733 1.00 5.33 C ATOM 1649 O MET A 109 -1.716 -11.760 2.940 1.00 5.53 O ATOM 1650 CB MET A 109 -0.592 -13.526 0.436 1.00 3.81 C ATOM 1651 CG MET A 109 0.612 -13.310 -0.473 1.00 2.70 C ATOM 1652 SD MET A 109 0.199 -13.360 -2.225 1.00 3.27 S ATOM 1653 CE MET A 109 0.065 -15.122 -2.484 1.00 3.46 C ATOM 0 H MET A 109 0.504 -15.297 1.770 1.00 4.11 H new ATOM 0 HA MET A 109 0.481 -12.521 1.956 1.00 4.08 H new ATOM 0 HB2 MET A 109 -0.986 -14.531 0.284 1.00 3.81 H new ATOM 0 HB3 MET A 109 -1.383 -12.829 0.161 1.00 3.81 H new ATOM 0 HG2 MET A 109 1.066 -12.346 -0.241 1.00 2.70 H new ATOM 0 HG3 MET A 109 1.360 -14.074 -0.261 1.00 2.70 H new ATOM 0 HE1 MET A 109 -0.670 -15.320 -3.264 1.00 3.46 H new ATOM 0 HE2 MET A 109 1.033 -15.520 -2.788 1.00 3.46 H new ATOM 0 HE3 MET A 109 -0.250 -15.603 -1.558 1.00 3.46 H new ATOM 1663 N THR A 110 -2.202 -13.968 3.206 1.00 6.20 N ATOM 1664 CA THR A 110 -3.326 -13.721 4.117 1.00 7.45 C ATOM 1665 C THR A 110 -2.810 -13.225 5.491 1.00 7.80 C ATOM 1666 O THR A 110 -3.456 -12.379 6.116 1.00 8.54 O ATOM 1667 CB THR A 110 -4.193 -14.983 4.309 1.00 8.32 C ATOM 1668 OG1 THR A 110 -4.661 -15.435 3.035 1.00 8.16 O ATOM 1669 CG2 THR A 110 -5.404 -14.730 5.211 1.00 9.65 C ATOM 0 H THR A 110 -2.048 -14.949 2.975 1.00 6.20 H new ATOM 0 HA THR A 110 -3.948 -12.949 3.664 1.00 7.45 H new ATOM 0 HB THR A 110 -3.566 -15.735 4.789 1.00 8.32 H new ATOM 0 HG1 THR A 110 -3.987 -16.018 2.627 1.00 8.16 H new ATOM 0 HG21 THR A 110 -5.980 -15.650 5.313 1.00 9.65 H new ATOM 0 HG22 THR A 110 -5.064 -14.404 6.194 1.00 9.65 H new ATOM 0 HG23 THR A 110 -6.031 -13.956 4.769 1.00 9.65 H new ATOM 1677 N ASN A 111 -1.650 -13.754 5.959 1.00 7.42 N ATOM 1678 CA ASN A 111 -1.079 -13.324 7.252 1.00 8.00 C ATOM 1679 C ASN A 111 -0.227 -12.047 7.116 1.00 7.57 C ATOM 1680 O ASN A 111 0.292 -11.528 8.111 1.00 8.26 O ATOM 1681 CB ASN A 111 -0.244 -14.444 7.877 1.00 7.98 C ATOM 1682 CG ASN A 111 -1.051 -15.298 8.836 1.00 9.16 C ATOM 1683 OD1 ASN A 111 -1.057 -14.914 10.107 1.00 9.84 O flip ATOM 1684 ND2 ASN A 111 -1.664 -16.290 8.440 1.00 9.58 N flip ATOM 0 H ASN A 111 -1.105 -14.464 5.469 1.00 7.42 H new ATOM 0 HA ASN A 111 -1.919 -13.095 7.907 1.00 8.00 H new ATOM 0 HB2 ASN A 111 0.163 -15.075 7.087 1.00 7.98 H new ATOM 0 HB3 ASN A 111 0.604 -14.010 8.406 1.00 7.98 H new ATOM 0 HD21 ASN A 111 -1.632 -16.549 7.454 1.00 9.58 H new ATOM 0 HD22 ASN A 111 -2.204 -16.852 9.098 1.00 9.58 H new ATOM 1691 N LEU A 112 -0.107 -11.541 5.877 1.00 6.48 N ATOM 1692 CA LEU A 112 0.682 -10.345 5.559 1.00 6.02 C ATOM 1693 C LEU A 112 0.214 -9.091 6.337 1.00 6.50 C ATOM 1694 O LEU A 112 1.043 -8.266 6.726 1.00 6.87 O ATOM 1695 CB LEU A 112 0.692 -10.159 4.010 1.00 4.81 C ATOM 1696 CG LEU A 112 0.602 -8.732 3.441 1.00 4.44 C ATOM 1697 CD1 LEU A 112 1.098 -8.689 2.002 1.00 4.55 C ATOM 1698 CD2 LEU A 112 -0.830 -8.245 3.511 1.00 4.77 C ATOM 0 H LEU A 112 -0.560 -11.956 5.063 1.00 6.48 H new ATOM 0 HA LEU A 112 1.709 -10.486 5.896 1.00 6.02 H new ATOM 0 HB2 LEU A 112 1.607 -10.611 3.628 1.00 4.81 H new ATOM 0 HB3 LEU A 112 -0.141 -10.732 3.602 1.00 4.81 H new ATOM 0 HG LEU A 112 1.237 -8.079 4.039 1.00 4.44 H new ATOM 0 HD11 LEU A 112 1.024 -7.670 1.622 1.00 4.55 H new ATOM 0 HD12 LEU A 112 2.137 -9.016 1.965 1.00 4.55 H new ATOM 0 HD13 LEU A 112 0.488 -9.350 1.387 1.00 4.55 H new ATOM 0 HD21 LEU A 112 -0.891 -7.234 3.107 1.00 4.77 H new ATOM 0 HD22 LEU A 112 -1.469 -8.908 2.927 1.00 4.77 H new ATOM 0 HD23 LEU A 112 -1.163 -8.242 4.549 1.00 4.77 H new ATOM 1710 N GLY A 113 -1.101 -8.969 6.562 1.00 6.67 N ATOM 1711 CA GLY A 113 -1.642 -7.819 7.282 1.00 7.40 C ATOM 1712 C GLY A 113 -2.969 -7.366 6.722 1.00 8.34 C ATOM 1713 O GLY A 113 -4.008 -7.518 7.369 1.00 8.64 O ATOM 0 H GLY A 113 -1.800 -9.647 6.258 1.00 6.67 H new ATOM 0 HA2 GLY A 113 -1.763 -8.076 8.334 1.00 7.40 H new ATOM 0 HA3 GLY A 113 -0.930 -6.995 7.235 1.00 7.40 H new ATOM 1717 N GLU A 114 -2.919 -6.794 5.513 1.00 8.94 N ATOM 1718 CA GLU A 114 -4.116 -6.332 4.788 1.00 10.00 C ATOM 1719 C GLU A 114 -4.845 -7.524 4.191 1.00 10.47 C ATOM 1720 O GLU A 114 -5.972 -7.425 3.701 1.00 11.33 O ATOM 1721 CB GLU A 114 -3.697 -5.400 3.669 1.00 10.43 C ATOM 1722 CG GLU A 114 -3.328 -3.997 4.134 1.00 10.39 C ATOM 1723 CD GLU A 114 -3.085 -3.042 2.981 1.00 11.02 C ATOM 1724 OE1 GLU A 114 -1.917 -2.654 2.768 1.00 11.20 O ATOM 1725 OE2 GLU A 114 -4.062 -2.682 2.292 1.00 11.47 O ATOM 0 H GLU A 114 -2.048 -6.637 5.006 1.00 8.94 H new ATOM 0 HA GLU A 114 -4.776 -5.809 5.480 1.00 10.00 H new ATOM 0 HB2 GLU A 114 -2.844 -5.835 3.149 1.00 10.43 H new ATOM 0 HB3 GLU A 114 -4.509 -5.330 2.946 1.00 10.43 H new ATOM 0 HG2 GLU A 114 -4.128 -3.605 4.762 1.00 10.39 H new ATOM 0 HG3 GLU A 114 -2.432 -4.048 4.753 1.00 10.39 H new ATOM 1732 N LYS A 115 -4.124 -8.641 4.254 1.00 10.04 N ATOM 1733 CA LYS A 115 -4.512 -9.987 3.793 1.00 10.61 C ATOM 1734 C LYS A 115 -5.019 -10.047 2.353 1.00 10.14 C ATOM 1735 O LYS A 115 -5.532 -9.064 1.809 1.00 10.70 O ATOM 1736 CB LYS A 115 -5.559 -10.660 4.696 1.00 11.03 C ATOM 1737 CG LYS A 115 -6.925 -10.009 4.592 1.00 10.36 C ATOM 1738 CD LYS A 115 -7.529 -9.733 5.961 1.00 10.71 C ATOM 1739 CE LYS A 115 -6.710 -8.691 6.714 1.00 10.61 C ATOM 1740 NZ LYS A 115 -6.800 -8.866 8.191 1.00 10.83 N ATOM 0 H LYS A 115 -3.186 -8.637 4.655 1.00 10.04 H new ATOM 0 HA LYS A 115 -3.571 -10.534 3.847 1.00 10.61 H new ATOM 0 HB2 LYS A 115 -5.641 -11.713 4.428 1.00 11.03 H new ATOM 0 HB3 LYS A 115 -5.220 -10.620 5.731 1.00 11.03 H new ATOM 0 HG2 LYS A 115 -6.840 -9.074 4.038 1.00 10.36 H new ATOM 0 HG3 LYS A 115 -7.593 -10.657 4.024 1.00 10.36 H new ATOM 0 HD2 LYS A 115 -8.555 -9.383 5.847 1.00 10.71 H new ATOM 0 HD3 LYS A 115 -7.570 -10.657 6.538 1.00 10.71 H new ATOM 0 HE2 LYS A 115 -5.667 -8.758 6.405 1.00 10.61 H new ATOM 0 HE3 LYS A 115 -7.059 -7.694 6.446 1.00 10.61 H new ATOM 0 HZ1 LYS A 115 -6.228 -8.136 8.663 1.00 10.83 H new ATOM 0 HZ2 LYS A 115 -7.792 -8.777 8.491 1.00 10.83 H new ATOM 0 HZ3 LYS A 115 -6.443 -9.807 8.451 1.00 10.83 H new ATOM 1754 N LEU A 116 -4.856 -11.219 1.755 1.00 9.19 N ATOM 1755 CA LEU A 116 -5.364 -11.481 0.424 1.00 8.69 C ATOM 1756 C LEU A 116 -5.959 -12.888 0.396 1.00 9.07 C ATOM 1757 O LEU A 116 -5.655 -13.699 1.277 1.00 9.05 O ATOM 1758 CB LEU A 116 -4.273 -11.310 -0.646 1.00 7.40 C ATOM 1759 CG LEU A 116 -3.704 -9.891 -0.778 1.00 6.84 C ATOM 1760 CD1 LEU A 116 -2.207 -9.935 -1.040 1.00 6.44 C ATOM 1761 CD2 LEU A 116 -4.417 -9.132 -1.887 1.00 6.43 C ATOM 0 H LEU A 116 -4.370 -12.009 2.180 1.00 9.19 H new ATOM 0 HA LEU A 116 -6.140 -10.753 0.187 1.00 8.69 H new ATOM 0 HB2 LEU A 116 -3.454 -11.993 -0.419 1.00 7.40 H new ATOM 0 HB3 LEU A 116 -4.682 -11.611 -1.610 1.00 7.40 H new ATOM 0 HG LEU A 116 -3.871 -9.366 0.163 1.00 6.84 H new ATOM 0 HD11 LEU A 116 -1.823 -8.919 -1.130 1.00 6.44 H new ATOM 0 HD12 LEU A 116 -1.708 -10.439 -0.213 1.00 6.44 H new ATOM 0 HD13 LEU A 116 -2.015 -10.479 -1.965 1.00 6.44 H new ATOM 0 HD21 LEU A 116 -4.001 -8.128 -1.966 1.00 6.43 H new ATOM 0 HD22 LEU A 116 -4.281 -9.657 -2.833 1.00 6.43 H new ATOM 0 HD23 LEU A 116 -5.481 -9.067 -1.658 1.00 6.43 H new ATOM 1773 N THR A 117 -6.797 -13.194 -0.603 1.00 9.56 N ATOM 1774 CA THR A 117 -7.420 -14.504 -0.678 1.00 10.01 C ATOM 1775 C THR A 117 -6.595 -15.538 -1.400 1.00 9.24 C ATOM 1776 O THR A 117 -5.462 -15.306 -1.830 1.00 8.29 O ATOM 1777 CB THR A 117 -8.802 -14.490 -1.355 1.00 11.26 C ATOM 1778 OG1 THR A 117 -8.798 -13.625 -2.499 1.00 11.46 O ATOM 1779 CG2 THR A 117 -9.853 -14.056 -0.370 1.00 12.18 C ATOM 0 H THR A 117 -7.051 -12.556 -1.357 1.00 9.56 H new ATOM 0 HA THR A 117 -7.515 -14.776 0.373 1.00 10.01 H new ATOM 0 HB THR A 117 -9.033 -15.500 -1.695 1.00 11.26 H new ATOM 0 HG1 THR A 117 -9.685 -13.631 -2.917 1.00 11.46 H new ATOM 0 HG21 THR A 117 -10.828 -14.049 -0.858 1.00 12.18 H new ATOM 0 HG22 THR A 117 -9.873 -14.750 0.470 1.00 12.18 H new ATOM 0 HG23 THR A 117 -9.621 -13.054 -0.008 1.00 12.18 H new ATOM 1787 N ASP A 118 -7.234 -16.691 -1.504 1.00 9.74 N ATOM 1788 CA ASP A 118 -6.724 -17.868 -2.163 1.00 9.28 C ATOM 1789 C ASP A 118 -6.709 -17.714 -3.664 1.00 9.42 C ATOM 1790 O ASP A 118 -5.888 -18.323 -4.346 1.00 8.80 O ATOM 1791 CB ASP A 118 -7.631 -19.009 -1.770 1.00 10.08 C ATOM 1792 CG ASP A 118 -7.195 -19.697 -0.491 1.00 9.81 C ATOM 1793 OD1 ASP A 118 -7.651 -19.279 0.594 1.00 9.86 O ATOM 1794 OD2 ASP A 118 -6.399 -20.656 -0.575 1.00 9.76 O ATOM 0 H ASP A 118 -8.165 -16.832 -1.111 1.00 9.74 H new ATOM 0 HA ASP A 118 -5.692 -18.045 -1.860 1.00 9.28 H new ATOM 0 HB2 ASP A 118 -8.647 -18.633 -1.646 1.00 10.08 H new ATOM 0 HB3 ASP A 118 -7.658 -19.740 -2.578 1.00 10.08 H new ATOM 1799 N GLU A 119 -7.632 -16.902 -4.167 1.00 10.37 N ATOM 1800 CA GLU A 119 -7.716 -16.621 -5.590 1.00 10.83 C ATOM 1801 C GLU A 119 -6.540 -15.749 -6.003 1.00 10.04 C ATOM 1802 O GLU A 119 -6.185 -15.686 -7.177 1.00 10.27 O ATOM 1803 CB GLU A 119 -9.056 -15.972 -5.955 1.00 12.10 C ATOM 1804 CG GLU A 119 -9.528 -16.277 -7.371 1.00 13.08 C ATOM 1805 CD GLU A 119 -10.852 -15.615 -7.700 1.00 14.16 C ATOM 1806 OE1 GLU A 119 -10.837 -14.463 -8.181 1.00 14.50 O ATOM 1807 OE2 GLU A 119 -11.905 -16.250 -7.477 1.00 14.78 O ATOM 0 H GLU A 119 -8.336 -16.425 -3.603 1.00 10.37 H new ATOM 0 HA GLU A 119 -7.665 -17.561 -6.140 1.00 10.83 H new ATOM 0 HB2 GLU A 119 -9.815 -16.309 -5.250 1.00 12.10 H new ATOM 0 HB3 GLU A 119 -8.969 -14.892 -5.837 1.00 12.10 H new ATOM 0 HG2 GLU A 119 -8.772 -15.943 -8.082 1.00 13.08 H new ATOM 0 HG3 GLU A 119 -9.625 -17.356 -7.493 1.00 13.08 H new ATOM 1814 N GLU A 120 -5.953 -15.076 -5.007 1.00 9.24 N ATOM 1815 CA GLU A 120 -4.752 -14.277 -5.210 1.00 8.40 C ATOM 1816 C GLU A 120 -3.589 -15.242 -5.340 1.00 7.57 C ATOM 1817 O GLU A 120 -2.570 -14.931 -5.946 1.00 7.44 O ATOM 1818 CB GLU A 120 -4.483 -13.340 -4.030 1.00 7.71 C ATOM 1819 CG GLU A 120 -3.571 -12.154 -4.353 1.00 7.14 C ATOM 1820 CD GLU A 120 -4.231 -11.106 -5.235 1.00 8.10 C ATOM 1821 OE1 GLU A 120 -4.014 -11.143 -6.464 1.00 8.52 O ATOM 1822 OE2 GLU A 120 -4.964 -10.251 -4.695 1.00 8.58 O ATOM 0 H GLU A 120 -6.298 -15.073 -4.047 1.00 9.24 H new ATOM 0 HA GLU A 120 -4.879 -13.660 -6.099 1.00 8.40 H new ATOM 0 HB2 GLU A 120 -5.435 -12.959 -3.661 1.00 7.71 H new ATOM 0 HB3 GLU A 120 -4.035 -13.916 -3.220 1.00 7.71 H new ATOM 0 HG2 GLU A 120 -3.253 -11.686 -3.421 1.00 7.14 H new ATOM 0 HG3 GLU A 120 -2.672 -12.521 -4.848 1.00 7.14 H new ATOM 1829 N VAL A 121 -3.722 -16.401 -4.692 1.00 7.19 N ATOM 1830 CA VAL A 121 -2.721 -17.408 -4.771 1.00 6.42 C ATOM 1831 C VAL A 121 -2.929 -18.314 -5.991 1.00 7.15 C ATOM 1832 O VAL A 121 -2.001 -18.524 -6.765 1.00 6.95 O ATOM 1833 CB VAL A 121 -2.675 -18.207 -3.452 1.00 5.97 C ATOM 1834 CG1 VAL A 121 -1.488 -19.119 -3.457 1.00 5.00 C ATOM 1835 CG2 VAL A 121 -2.620 -17.268 -2.245 1.00 5.72 C ATOM 0 H VAL A 121 -4.524 -16.644 -4.111 1.00 7.19 H new ATOM 0 HA VAL A 121 -1.752 -16.929 -4.909 1.00 6.42 H new ATOM 0 HB VAL A 121 -3.585 -18.802 -3.373 1.00 5.97 H new ATOM 0 HG11 VAL A 121 -1.458 -19.682 -2.524 1.00 5.00 H new ATOM 0 HG12 VAL A 121 -1.564 -19.811 -4.296 1.00 5.00 H new ATOM 0 HG13 VAL A 121 -0.576 -18.529 -3.554 1.00 5.00 H new ATOM 0 HG21 VAL A 121 -2.588 -17.856 -1.328 1.00 5.72 H new ATOM 0 HG22 VAL A 121 -1.727 -16.646 -2.308 1.00 5.72 H new ATOM 0 HG23 VAL A 121 -3.505 -16.632 -2.238 1.00 5.72 H new ATOM 1845 N ASP A 122 -4.160 -18.798 -6.171 1.00 8.17 N ATOM 1846 CA ASP A 122 -4.515 -19.703 -7.293 1.00 9.00 C ATOM 1847 C ASP A 122 -4.325 -19.033 -8.650 1.00 9.58 C ATOM 1848 O ASP A 122 -4.120 -19.712 -9.659 1.00 10.07 O ATOM 1849 CB ASP A 122 -5.954 -20.208 -7.156 1.00 10.08 C ATOM 1850 CG ASP A 122 -6.119 -21.196 -6.016 1.00 9.97 C ATOM 1851 OD1 ASP A 122 -6.615 -20.790 -4.945 1.00 10.09 O ATOM 1852 OD2 ASP A 122 -5.752 -22.377 -6.196 1.00 9.98 O ATOM 0 H ASP A 122 -4.942 -18.582 -5.553 1.00 8.17 H new ATOM 0 HA ASP A 122 -3.834 -20.553 -7.241 1.00 9.00 H new ATOM 0 HB2 ASP A 122 -6.619 -19.360 -6.996 1.00 10.08 H new ATOM 0 HB3 ASP A 122 -6.260 -20.681 -8.089 1.00 10.08 H new ATOM 1857 N GLU A 123 -4.391 -17.699 -8.657 1.00 9.61 N ATOM 1858 CA GLU A 123 -4.186 -16.910 -9.875 1.00 10.24 C ATOM 1859 C GLU A 123 -2.690 -16.813 -10.179 1.00 9.65 C ATOM 1860 O GLU A 123 -2.281 -16.864 -11.343 1.00 10.36 O ATOM 1861 CB GLU A 123 -4.794 -15.514 -9.746 1.00 10.45 C ATOM 1862 CG GLU A 123 -6.239 -15.435 -10.211 1.00 11.70 C ATOM 1863 CD GLU A 123 -6.806 -14.032 -10.114 1.00 11.94 C ATOM 1864 OE1 GLU A 123 -6.547 -13.223 -11.030 1.00 12.02 O ATOM 1865 OE2 GLU A 123 -7.510 -13.743 -9.124 1.00 12.16 O ATOM 0 H GLU A 123 -4.586 -17.139 -7.827 1.00 9.61 H new ATOM 0 HA GLU A 123 -4.692 -17.414 -10.699 1.00 10.24 H new ATOM 0 HB2 GLU A 123 -4.738 -15.197 -8.705 1.00 10.45 H new ATOM 0 HB3 GLU A 123 -4.196 -14.811 -10.325 1.00 10.45 H new ATOM 0 HG2 GLU A 123 -6.304 -15.779 -11.243 1.00 11.70 H new ATOM 0 HG3 GLU A 123 -6.848 -16.111 -9.611 1.00 11.70 H new ATOM 1872 N MET A 124 -1.882 -16.669 -9.110 1.00 8.45 N ATOM 1873 CA MET A 124 -0.430 -16.612 -9.226 1.00 7.91 C ATOM 1874 C MET A 124 0.182 -18.003 -9.326 1.00 7.70 C ATOM 1875 O MET A 124 1.324 -18.152 -9.771 1.00 7.76 O ATOM 1876 CB MET A 124 0.159 -15.879 -8.021 1.00 6.78 C ATOM 1877 CG MET A 124 0.203 -14.354 -8.141 1.00 6.98 C ATOM 1878 SD MET A 124 -1.090 -13.635 -9.180 1.00 6.62 S ATOM 1879 CE MET A 124 -2.469 -13.649 -8.043 1.00 7.40 C ATOM 0 H MET A 124 -2.225 -16.590 -8.152 1.00 8.45 H new ATOM 0 HA MET A 124 -0.191 -16.072 -10.142 1.00 7.91 H new ATOM 0 HB2 MET A 124 -0.423 -16.141 -7.137 1.00 6.78 H new ATOM 0 HB3 MET A 124 1.173 -16.243 -7.855 1.00 6.78 H new ATOM 0 HG2 MET A 124 0.128 -13.923 -7.143 1.00 6.98 H new ATOM 0 HG3 MET A 124 1.174 -14.063 -8.541 1.00 6.98 H new ATOM 0 HE1 MET A 124 -3.319 -13.139 -8.496 1.00 7.40 H new ATOM 0 HE2 MET A 124 -2.743 -14.679 -7.816 1.00 7.40 H new ATOM 0 HE3 MET A 124 -2.187 -13.137 -7.123 1.00 7.40 H new ATOM 1889 N ILE A 125 -0.587 -19.015 -8.911 1.00 7.60 N ATOM 1890 CA ILE A 125 -0.139 -20.399 -8.948 1.00 7.41 C ATOM 1891 C ILE A 125 0.038 -20.903 -10.378 1.00 8.49 C ATOM 1892 O ILE A 125 1.046 -21.538 -10.698 1.00 8.45 O ATOM 1893 CB ILE A 125 -1.058 -21.339 -8.150 1.00 7.24 C ATOM 1894 CG1 ILE A 125 -0.839 -21.143 -6.655 1.00 6.16 C ATOM 1895 CG2 ILE A 125 -0.728 -22.749 -8.512 1.00 7.27 C ATOM 1896 CD1 ILE A 125 -2.007 -21.534 -5.796 1.00 6.48 C ATOM 0 H ILE A 125 -1.531 -18.893 -8.543 1.00 7.60 H new ATOM 0 HA ILE A 125 0.837 -20.411 -8.463 1.00 7.41 H new ATOM 0 HB ILE A 125 -2.098 -21.118 -8.388 1.00 7.24 H new ATOM 0 HG12 ILE A 125 0.031 -21.724 -6.349 1.00 6.16 H new ATOM 0 HG13 ILE A 125 -0.603 -20.095 -6.470 1.00 6.16 H new ATOM 0 HG21 ILE A 125 -1.372 -23.428 -7.954 1.00 7.27 H new ATOM 0 HG22 ILE A 125 -0.885 -22.897 -9.581 1.00 7.27 H new ATOM 0 HG23 ILE A 125 0.314 -22.953 -8.267 1.00 7.27 H new ATOM 0 HD11 ILE A 125 -1.762 -21.361 -4.748 1.00 6.48 H new ATOM 0 HD12 ILE A 125 -2.876 -20.935 -6.069 1.00 6.48 H new ATOM 0 HD13 ILE A 125 -2.232 -22.590 -5.946 1.00 6.48 H new ATOM 1908 N ARG A 126 -0.973 -20.645 -11.203 1.00 9.53 N ATOM 1909 CA ARG A 126 -0.961 -21.008 -12.637 1.00 10.70 C ATOM 1910 C ARG A 126 0.356 -20.577 -13.284 1.00 10.89 C ATOM 1911 O ARG A 126 0.890 -21.274 -14.152 1.00 11.45 O ATOM 1912 CB ARG A 126 -2.111 -20.338 -13.399 1.00 11.76 C ATOM 1913 CG ARG A 126 -3.482 -20.471 -12.747 1.00 12.03 C ATOM 1914 CD ARG A 126 -4.163 -19.116 -12.625 1.00 12.20 C ATOM 1915 NE ARG A 126 -4.640 -18.611 -13.920 1.00 12.92 N ATOM 1916 CZ ARG A 126 -5.546 -17.635 -14.074 1.00 13.50 C ATOM 1917 NH1 ARG A 126 -6.097 -17.034 -13.021 1.00 13.44 N ATOM 1918 NH2 ARG A 126 -5.902 -17.258 -15.294 1.00 14.26 N ATOM 0 H ARG A 126 -1.830 -20.178 -10.906 1.00 9.53 H new ATOM 0 HA ARG A 126 -1.077 -22.090 -12.693 1.00 10.70 H new ATOM 0 HB2 ARG A 126 -1.882 -19.279 -13.514 1.00 11.76 H new ATOM 0 HB3 ARG A 126 -2.159 -20.764 -14.401 1.00 11.76 H new ATOM 0 HG2 ARG A 126 -4.105 -21.143 -13.337 1.00 12.03 H new ATOM 0 HG3 ARG A 126 -3.377 -20.919 -11.759 1.00 12.03 H new ATOM 0 HD2 ARG A 126 -5.004 -19.196 -11.937 1.00 12.20 H new ATOM 0 HD3 ARG A 126 -3.465 -18.399 -12.193 1.00 12.20 H new ATOM 0 HE ARG A 126 -4.253 -19.034 -14.764 1.00 12.92 H new ATOM 0 HH11 ARG A 126 -5.831 -17.314 -12.077 1.00 13.44 H new ATOM 0 HH12 ARG A 126 -6.785 -16.293 -13.159 1.00 13.44 H new ATOM 0 HH21 ARG A 126 -5.487 -17.710 -16.109 1.00 14.26 H new ATOM 0 HH22 ARG A 126 -6.591 -16.516 -15.418 1.00 14.26 H new ATOM 1932 N GLU A 127 0.868 -19.412 -12.840 1.00 10.50 N ATOM 1933 CA GLU A 127 2.135 -18.884 -13.331 1.00 10.79 C ATOM 1934 C GLU A 127 3.314 -19.521 -12.592 1.00 10.06 C ATOM 1935 O GLU A 127 4.399 -19.665 -13.164 1.00 10.61 O ATOM 1936 CB GLU A 127 2.171 -17.374 -13.164 1.00 10.70 C ATOM 1937 CG GLU A 127 1.328 -16.609 -14.183 1.00 11.77 C ATOM 1938 CD GLU A 127 2.000 -16.492 -15.542 1.00 12.85 C ATOM 1939 OE1 GLU A 127 1.777 -17.379 -16.393 1.00 13.26 O ATOM 1940 OE2 GLU A 127 2.748 -15.514 -15.752 1.00 13.42 O ATOM 0 H GLU A 127 0.414 -18.825 -12.140 1.00 10.50 H new ATOM 0 HA GLU A 127 2.220 -19.129 -14.390 1.00 10.79 H new ATOM 0 HB2 GLU A 127 1.825 -17.123 -12.161 1.00 10.70 H new ATOM 0 HB3 GLU A 127 3.205 -17.036 -13.238 1.00 10.70 H new ATOM 0 HG2 GLU A 127 0.367 -17.110 -14.301 1.00 11.77 H new ATOM 0 HG3 GLU A 127 1.121 -15.610 -13.799 1.00 11.77 H new ATOM 1947 N ALA A 128 3.093 -19.895 -11.310 1.00 8.89 N ATOM 1948 CA ALA A 128 4.122 -20.557 -10.490 1.00 8.16 C ATOM 1949 C ALA A 128 4.600 -21.847 -11.171 1.00 8.57 C ATOM 1950 O ALA A 128 5.801 -22.051 -11.369 1.00 8.66 O ATOM 1951 CB ALA A 128 3.567 -20.840 -9.101 1.00 6.87 C ATOM 0 H ALA A 128 2.208 -19.747 -10.825 1.00 8.89 H new ATOM 0 HA ALA A 128 4.983 -19.896 -10.389 1.00 8.16 H new ATOM 0 HB1 ALA A 128 4.331 -21.330 -8.497 1.00 6.87 H new ATOM 0 HB2 ALA A 128 3.276 -19.902 -8.628 1.00 6.87 H new ATOM 0 HB3 ALA A 128 2.696 -21.491 -9.183 1.00 6.87 H new ATOM 1957 N ALA A 129 3.623 -22.706 -11.530 1.00 8.95 N ATOM 1958 CA ALA A 129 3.838 -23.974 -12.266 1.00 9.43 C ATOM 1959 C ALA A 129 4.840 -24.968 -11.646 1.00 8.51 C ATOM 1960 O ALA A 129 5.040 -26.051 -12.211 1.00 8.76 O ATOM 1961 CB ALA A 129 4.244 -23.664 -13.697 1.00 10.42 C ATOM 0 H ALA A 129 2.641 -22.536 -11.313 1.00 8.95 H new ATOM 0 HA ALA A 129 2.879 -24.489 -12.213 1.00 9.43 H new ATOM 0 HB1 ALA A 129 4.403 -24.596 -14.240 1.00 10.42 H new ATOM 0 HB2 ALA A 129 3.455 -23.091 -14.183 1.00 10.42 H new ATOM 0 HB3 ALA A 129 5.166 -23.083 -13.696 1.00 10.42 H new ATOM 1967 N ILE A 130 5.463 -24.634 -10.502 1.00 7.54 N ATOM 1968 CA ILE A 130 6.428 -25.549 -9.867 1.00 6.69 C ATOM 1969 C ILE A 130 5.718 -26.844 -9.457 1.00 6.68 C ATOM 1970 O ILE A 130 4.523 -26.831 -9.146 1.00 6.97 O ATOM 1971 CB ILE A 130 7.165 -24.957 -8.628 1.00 5.80 C ATOM 1972 CG1 ILE A 130 7.421 -23.433 -8.782 1.00 5.43 C ATOM 1973 CG2 ILE A 130 8.494 -25.698 -8.419 1.00 6.19 C ATOM 1974 CD1 ILE A 130 7.838 -22.714 -7.505 1.00 4.53 C ATOM 0 H ILE A 130 5.320 -23.754 -10.006 1.00 7.54 H new ATOM 0 HA ILE A 130 7.196 -25.734 -10.618 1.00 6.69 H new ATOM 0 HB ILE A 130 6.525 -25.094 -7.757 1.00 5.80 H new ATOM 0 HG12 ILE A 130 8.197 -23.285 -9.533 1.00 5.43 H new ATOM 0 HG13 ILE A 130 6.514 -22.965 -9.164 1.00 5.43 H new ATOM 0 HG21 ILE A 130 9.009 -25.284 -7.552 1.00 6.19 H new ATOM 0 HG22 ILE A 130 8.298 -26.757 -8.252 1.00 6.19 H new ATOM 0 HG23 ILE A 130 9.120 -25.580 -9.304 1.00 6.19 H new ATOM 0 HD11 ILE A 130 7.993 -21.656 -7.717 1.00 4.53 H new ATOM 0 HD12 ILE A 130 7.056 -22.823 -6.754 1.00 4.53 H new ATOM 0 HD13 ILE A 130 8.765 -23.148 -7.129 1.00 4.53 H new ATOM 1986 N ASP A 131 6.466 -27.951 -9.456 1.00 6.58 N ATOM 1987 CA ASP A 131 5.906 -29.265 -9.138 1.00 6.68 C ATOM 1988 C ASP A 131 6.982 -30.271 -8.691 1.00 6.59 C ATOM 1989 O ASP A 131 8.135 -29.898 -8.452 1.00 6.80 O ATOM 1990 CB ASP A 131 5.085 -29.805 -10.338 1.00 7.70 C ATOM 1991 CG ASP A 131 5.890 -29.937 -11.627 1.00 7.98 C ATOM 1992 OD1 ASP A 131 5.932 -28.959 -12.402 1.00 8.18 O ATOM 1993 OD2 ASP A 131 6.474 -31.017 -11.854 1.00 8.25 O ATOM 0 H ASP A 131 7.463 -27.962 -9.672 1.00 6.58 H new ATOM 0 HA ASP A 131 5.236 -29.139 -8.288 1.00 6.68 H new ATOM 0 HB2 ASP A 131 4.675 -30.780 -10.076 1.00 7.70 H new ATOM 0 HB3 ASP A 131 4.239 -29.141 -10.516 1.00 7.70 H new ATOM 1998 N GLY A 132 6.575 -31.544 -8.585 1.00 6.49 N ATOM 1999 CA GLY A 132 7.460 -32.613 -8.143 1.00 6.52 C ATOM 2000 C GLY A 132 6.987 -33.177 -6.820 1.00 5.87 C ATOM 2001 O GLY A 132 6.841 -34.392 -6.660 1.00 6.01 O ATOM 0 H GLY A 132 5.628 -31.853 -8.803 1.00 6.49 H new ATOM 0 HA2 GLY A 132 7.489 -33.403 -8.893 1.00 6.52 H new ATOM 0 HA3 GLY A 132 8.477 -32.233 -8.041 1.00 6.52 H new ATOM 2005 N ASP A 133 6.754 -32.263 -5.880 1.00 5.34 N ATOM 2006 CA ASP A 133 6.258 -32.579 -4.549 1.00 4.95 C ATOM 2007 C ASP A 133 4.891 -31.972 -4.429 1.00 4.57 C ATOM 2008 O ASP A 133 4.009 -32.464 -3.719 1.00 4.65 O ATOM 2009 CB ASP A 133 7.117 -31.933 -3.484 1.00 4.99 C ATOM 2010 CG ASP A 133 7.335 -32.823 -2.277 1.00 5.63 C ATOM 2011 OD1 ASP A 133 6.526 -32.745 -1.328 1.00 6.07 O ATOM 2012 OD2 ASP A 133 8.313 -33.599 -2.281 1.00 5.97 O ATOM 0 H ASP A 133 6.908 -31.266 -6.028 1.00 5.34 H new ATOM 0 HA ASP A 133 6.261 -33.661 -4.414 1.00 4.95 H new ATOM 0 HB2 ASP A 133 8.084 -31.671 -3.914 1.00 4.99 H new ATOM 0 HB3 ASP A 133 6.649 -31.003 -3.162 1.00 4.99 H new ATOM 2017 N GLY A 134 4.764 -30.872 -5.164 1.00 4.47 N ATOM 2018 CA GLY A 134 3.574 -30.097 -5.181 1.00 4.33 C ATOM 2019 C GLY A 134 3.709 -28.807 -4.392 1.00 3.73 C ATOM 2020 O GLY A 134 2.719 -28.278 -3.877 1.00 3.75 O ATOM 0 H GLY A 134 5.504 -30.508 -5.764 1.00 4.47 H new ATOM 0 HA2 GLY A 134 3.312 -29.862 -6.213 1.00 4.33 H new ATOM 0 HA3 GLY A 134 2.754 -30.686 -4.770 1.00 4.33 H new ATOM 2024 N GLN A 135 4.949 -28.310 -4.304 1.00 3.55 N ATOM 2025 CA GLN A 135 5.267 -27.087 -3.583 1.00 3.33 C ATOM 2026 C GLN A 135 5.695 -25.943 -4.514 1.00 3.69 C ATOM 2027 O GLN A 135 5.848 -26.135 -5.724 1.00 4.33 O ATOM 2028 CB GLN A 135 6.356 -27.384 -2.552 1.00 3.82 C ATOM 2029 CG GLN A 135 7.603 -28.090 -3.093 1.00 4.41 C ATOM 2030 CD GLN A 135 8.453 -28.702 -1.996 1.00 5.26 C ATOM 2031 OE1 GLN A 135 8.215 -29.830 -1.567 1.00 5.74 O ATOM 2032 NE2 GLN A 135 9.457 -27.964 -1.544 1.00 5.78 N ATOM 0 H GLN A 135 5.760 -28.753 -4.736 1.00 3.55 H new ATOM 0 HA GLN A 135 4.361 -26.747 -3.082 1.00 3.33 H new ATOM 0 HB2 GLN A 135 6.663 -26.444 -2.093 1.00 3.82 H new ATOM 0 HB3 GLN A 135 5.926 -27.999 -1.762 1.00 3.82 H new ATOM 0 HG2 GLN A 135 7.299 -28.871 -3.790 1.00 4.41 H new ATOM 0 HG3 GLN A 135 8.204 -27.376 -3.657 1.00 4.41 H new ATOM 0 HE21 GLN A 135 9.619 -27.033 -1.928 1.00 5.78 H new ATOM 0 HE22 GLN A 135 10.068 -28.327 -0.812 1.00 5.78 H new ATOM 2041 N VAL A 136 5.883 -24.753 -3.920 1.00 3.59 N ATOM 2042 CA VAL A 136 6.303 -23.563 -4.647 1.00 4.23 C ATOM 2043 C VAL A 136 7.352 -22.777 -3.845 1.00 4.67 C ATOM 2044 O VAL A 136 7.594 -23.047 -2.667 1.00 4.74 O ATOM 2045 CB VAL A 136 5.078 -22.675 -5.053 1.00 4.02 C ATOM 2046 CG1 VAL A 136 5.455 -21.243 -5.424 1.00 3.51 C ATOM 2047 CG2 VAL A 136 4.304 -23.318 -6.208 1.00 5.08 C ATOM 0 H VAL A 136 5.746 -24.598 -2.921 1.00 3.59 H new ATOM 0 HA VAL A 136 6.776 -23.882 -5.576 1.00 4.23 H new ATOM 0 HB VAL A 136 4.448 -22.617 -4.165 1.00 4.02 H new ATOM 0 HG11 VAL A 136 4.556 -20.688 -5.694 1.00 3.51 H new ATOM 0 HG12 VAL A 136 5.937 -20.762 -4.573 1.00 3.51 H new ATOM 0 HG13 VAL A 136 6.142 -21.255 -6.271 1.00 3.51 H new ATOM 0 HG21 VAL A 136 3.457 -22.686 -6.475 1.00 5.08 H new ATOM 0 HG22 VAL A 136 4.962 -23.427 -7.070 1.00 5.08 H new ATOM 0 HG23 VAL A 136 3.942 -24.299 -5.902 1.00 5.08 H new ATOM 2057 N ASN A 137 7.952 -21.803 -4.520 1.00 5.28 N ATOM 2058 CA ASN A 137 9.003 -20.971 -3.954 1.00 5.95 C ATOM 2059 C ASN A 137 8.545 -19.541 -3.637 1.00 5.49 C ATOM 2060 O ASN A 137 7.358 -19.208 -3.690 1.00 4.60 O ATOM 2061 CB ASN A 137 10.238 -20.985 -4.887 1.00 7.18 C ATOM 2062 CG ASN A 137 10.000 -20.381 -6.273 1.00 7.90 C ATOM 2063 OD1 ASN A 137 9.207 -19.454 -6.442 1.00 8.11 O ATOM 2064 ND2 ASN A 137 10.695 -20.913 -7.271 1.00 8.51 N ATOM 0 H ASN A 137 7.719 -21.568 -5.485 1.00 5.28 H new ATOM 0 HA ASN A 137 9.276 -21.402 -2.991 1.00 5.95 H new ATOM 0 HB2 ASN A 137 11.048 -20.440 -4.403 1.00 7.18 H new ATOM 0 HB3 ASN A 137 10.574 -22.015 -5.007 1.00 7.18 H new ATOM 0 HD21 ASN A 137 10.582 -20.555 -8.219 1.00 8.51 H new ATOM 0 HD22 ASN A 137 11.342 -21.680 -7.090 1.00 8.51 H new ATOM 2071 N TYR A 138 9.543 -18.730 -3.310 1.00 6.22 N ATOM 2072 CA TYR A 138 9.402 -17.333 -2.920 1.00 6.03 C ATOM 2073 C TYR A 138 9.790 -16.382 -4.061 1.00 6.55 C ATOM 2074 O TYR A 138 9.176 -15.330 -4.247 1.00 6.13 O ATOM 2075 CB TYR A 138 10.324 -17.082 -1.712 1.00 6.78 C ATOM 2076 CG TYR A 138 11.634 -17.822 -1.864 1.00 7.93 C ATOM 2077 CD1 TYR A 138 11.647 -19.206 -1.856 1.00 8.62 C ATOM 2078 CD2 TYR A 138 12.820 -17.154 -2.106 1.00 8.50 C ATOM 2079 CE1 TYR A 138 12.783 -19.905 -2.080 1.00 9.65 C ATOM 2080 CE2 TYR A 138 13.988 -17.854 -2.317 1.00 9.54 C ATOM 2081 CZ TYR A 138 13.967 -19.236 -2.308 1.00 10.06 C ATOM 2082 OH TYR A 138 15.125 -19.943 -2.536 1.00 11.13 O ATOM 0 H TYR A 138 10.514 -19.041 -3.309 1.00 6.22 H new ATOM 0 HA TYR A 138 8.359 -17.139 -2.671 1.00 6.03 H new ATOM 0 HB2 TYR A 138 10.516 -16.014 -1.613 1.00 6.78 H new ATOM 0 HB3 TYR A 138 9.826 -17.403 -0.797 1.00 6.78 H new ATOM 0 HD1 TYR A 138 10.728 -19.741 -1.666 1.00 8.62 H new ATOM 0 HD2 TYR A 138 12.831 -16.074 -2.130 1.00 8.50 H new ATOM 0 HE1 TYR A 138 12.763 -20.985 -2.080 1.00 9.65 H new ATOM 0 HE2 TYR A 138 14.914 -17.326 -2.488 1.00 9.54 H new ATOM 0 HH TYR A 138 15.867 -19.319 -2.679 1.00 11.13 H new ATOM 2092 N GLU A 139 10.821 -16.783 -4.822 1.00 7.59 N ATOM 2093 CA GLU A 139 11.366 -15.979 -5.931 1.00 8.39 C ATOM 2094 C GLU A 139 10.405 -15.845 -7.114 1.00 8.26 C ATOM 2095 O GLU A 139 10.406 -14.823 -7.799 1.00 8.61 O ATOM 2096 CB GLU A 139 12.679 -16.589 -6.423 1.00 9.64 C ATOM 2097 CG GLU A 139 13.844 -16.412 -5.460 1.00 10.21 C ATOM 2098 CD GLU A 139 15.131 -17.022 -5.981 1.00 11.39 C ATOM 2099 OE1 GLU A 139 15.389 -18.207 -5.684 1.00 11.90 O ATOM 2100 OE2 GLU A 139 15.880 -16.314 -6.687 1.00 11.94 O ATOM 0 H GLU A 139 11.301 -17.673 -4.687 1.00 7.59 H new ATOM 0 HA GLU A 139 11.528 -14.978 -5.531 1.00 8.39 H new ATOM 0 HB2 GLU A 139 12.528 -17.653 -6.603 1.00 9.64 H new ATOM 0 HB3 GLU A 139 12.941 -16.138 -7.380 1.00 9.64 H new ATOM 0 HG2 GLU A 139 13.999 -15.349 -5.275 1.00 10.21 H new ATOM 0 HG3 GLU A 139 13.592 -16.868 -4.503 1.00 10.21 H new ATOM 2107 N GLU A 140 9.622 -16.890 -7.369 1.00 7.94 N ATOM 2108 CA GLU A 140 8.664 -16.884 -8.479 1.00 8.10 C ATOM 2109 C GLU A 140 7.249 -16.487 -8.043 1.00 7.13 C ATOM 2110 O GLU A 140 6.505 -15.905 -8.836 1.00 7.54 O ATOM 2111 CB GLU A 140 8.625 -18.255 -9.161 1.00 8.42 C ATOM 2112 CG GLU A 140 9.855 -18.559 -10.005 1.00 9.47 C ATOM 2113 CD GLU A 140 9.786 -19.921 -10.667 1.00 9.95 C ATOM 2114 OE1 GLU A 140 9.272 -20.004 -11.803 1.00 10.29 O ATOM 2115 OE2 GLU A 140 10.246 -20.906 -10.051 1.00 10.17 O ATOM 0 H GLU A 140 9.629 -17.753 -6.825 1.00 7.94 H new ATOM 0 HA GLU A 140 9.012 -16.128 -9.183 1.00 8.10 H new ATOM 0 HB2 GLU A 140 8.520 -19.027 -8.398 1.00 8.42 H new ATOM 0 HB3 GLU A 140 7.739 -18.310 -9.794 1.00 8.42 H new ATOM 0 HG2 GLU A 140 9.964 -17.792 -10.772 1.00 9.47 H new ATOM 0 HG3 GLU A 140 10.744 -18.509 -9.376 1.00 9.47 H new ATOM 2122 N PHE A 141 6.879 -16.799 -6.789 1.00 5.98 N ATOM 2123 CA PHE A 141 5.537 -16.513 -6.290 1.00 5.06 C ATOM 2124 C PHE A 141 5.346 -15.102 -5.727 1.00 4.76 C ATOM 2125 O PHE A 141 4.565 -14.320 -6.277 1.00 5.06 O ATOM 2126 CB PHE A 141 5.104 -17.579 -5.277 1.00 3.97 C ATOM 2127 CG PHE A 141 3.665 -17.938 -5.417 1.00 3.73 C ATOM 2128 CD1 PHE A 141 2.706 -17.193 -4.769 1.00 3.83 C ATOM 2129 CD2 PHE A 141 3.277 -18.992 -6.226 1.00 4.10 C ATOM 2130 CE1 PHE A 141 1.374 -17.487 -4.924 1.00 4.24 C ATOM 2131 CE2 PHE A 141 1.940 -19.309 -6.377 1.00 4.47 C ATOM 2132 CZ PHE A 141 0.993 -18.542 -5.720 1.00 4.52 C ATOM 0 H PHE A 141 7.494 -17.248 -6.110 1.00 5.98 H new ATOM 0 HA PHE A 141 4.886 -16.552 -7.163 1.00 5.06 H new ATOM 0 HB2 PHE A 141 5.714 -18.473 -5.410 1.00 3.97 H new ATOM 0 HB3 PHE A 141 5.289 -17.214 -4.267 1.00 3.97 H new ATOM 0 HD1 PHE A 141 3.003 -16.371 -4.134 1.00 3.83 H new ATOM 0 HD2 PHE A 141 4.026 -19.572 -6.744 1.00 4.10 H new ATOM 0 HE1 PHE A 141 0.627 -16.891 -4.422 1.00 4.24 H new ATOM 0 HE2 PHE A 141 1.639 -20.141 -6.997 1.00 4.47 H new ATOM 0 HZ PHE A 141 -0.056 -18.774 -5.834 1.00 4.52 H new ATOM 2142 N VAL A 142 6.047 -14.786 -4.637 1.00 4.40 N ATOM 2143 CA VAL A 142 5.955 -13.448 -3.984 1.00 4.15 C ATOM 2144 C VAL A 142 6.347 -12.367 -4.967 1.00 5.25 C ATOM 2145 O VAL A 142 5.718 -11.312 -5.044 1.00 5.25 O ATOM 2146 CB VAL A 142 6.871 -13.282 -2.741 1.00 4.09 C ATOM 2147 CG1 VAL A 142 6.235 -12.367 -1.708 1.00 3.37 C ATOM 2148 CG2 VAL A 142 7.228 -14.613 -2.129 1.00 3.96 C ATOM 0 H VAL A 142 6.690 -15.429 -4.175 1.00 4.40 H new ATOM 0 HA VAL A 142 4.919 -13.362 -3.657 1.00 4.15 H new ATOM 0 HB VAL A 142 7.796 -12.818 -3.083 1.00 4.09 H new ATOM 0 HG11 VAL A 142 6.900 -12.270 -0.849 1.00 3.37 H new ATOM 0 HG12 VAL A 142 6.065 -11.384 -2.148 1.00 3.37 H new ATOM 0 HG13 VAL A 142 5.284 -12.789 -1.385 1.00 3.37 H new ATOM 0 HG21 VAL A 142 7.870 -14.455 -1.262 1.00 3.96 H new ATOM 0 HG22 VAL A 142 6.318 -15.126 -1.818 1.00 3.96 H new ATOM 0 HG23 VAL A 142 7.755 -15.222 -2.864 1.00 3.96 H new ATOM 2158 N GLN A 143 7.416 -12.646 -5.705 1.00 6.26 N ATOM 2159 CA GLN A 143 7.900 -11.718 -6.729 1.00 7.42 C ATOM 2160 C GLN A 143 6.832 -11.477 -7.798 1.00 7.74 C ATOM 2161 O GLN A 143 6.797 -10.405 -8.410 1.00 8.48 O ATOM 2162 CB GLN A 143 9.196 -12.226 -7.361 1.00 8.47 C ATOM 2163 CG GLN A 143 10.139 -11.119 -7.814 1.00 9.24 C ATOM 2164 CD GLN A 143 11.412 -11.658 -8.437 1.00 10.23 C ATOM 2165 OE1 GLN A 143 11.480 -11.875 -9.647 1.00 10.70 O ATOM 2166 NE2 GLN A 143 12.428 -11.879 -7.611 1.00 10.74 N ATOM 0 H GLN A 143 7.964 -13.502 -5.617 1.00 6.26 H new ATOM 0 HA GLN A 143 8.113 -10.766 -6.243 1.00 7.42 H new ATOM 0 HB2 GLN A 143 9.715 -12.860 -6.642 1.00 8.47 H new ATOM 0 HB3 GLN A 143 8.949 -12.852 -8.218 1.00 8.47 H new ATOM 0 HG2 GLN A 143 9.627 -10.483 -8.536 1.00 9.24 H new ATOM 0 HG3 GLN A 143 10.394 -10.491 -6.960 1.00 9.24 H new ATOM 0 HE21 GLN A 143 12.327 -11.685 -6.615 1.00 10.74 H new ATOM 0 HE22 GLN A 143 13.309 -12.243 -7.973 1.00 10.74 H new ATOM 2175 N MET A 144 5.968 -12.479 -8.015 1.00 7.32 N ATOM 2176 CA MET A 144 4.888 -12.349 -8.981 1.00 7.88 C ATOM 2177 C MET A 144 3.636 -11.751 -8.367 1.00 7.37 C ATOM 2178 O MET A 144 2.641 -11.486 -9.052 1.00 8.01 O ATOM 2179 CB MET A 144 4.587 -13.671 -9.676 1.00 8.04 C ATOM 2180 CG MET A 144 4.449 -13.530 -11.181 1.00 9.33 C ATOM 2181 SD MET A 144 3.465 -14.843 -11.915 1.00 9.76 S ATOM 2182 CE MET A 144 1.796 -14.247 -11.633 1.00 9.64 C ATOM 0 H MET A 144 6.002 -13.378 -7.535 1.00 7.32 H new ATOM 0 HA MET A 144 5.236 -11.650 -9.742 1.00 7.88 H new ATOM 0 HB2 MET A 144 5.383 -14.382 -9.454 1.00 8.04 H new ATOM 0 HB3 MET A 144 3.666 -14.088 -9.269 1.00 8.04 H new ATOM 0 HG2 MET A 144 3.992 -12.568 -11.411 1.00 9.33 H new ATOM 0 HG3 MET A 144 5.440 -13.528 -11.634 1.00 9.33 H new ATOM 0 HE1 MET A 144 1.109 -15.093 -11.595 1.00 9.64 H new ATOM 0 HE2 MET A 144 1.758 -13.705 -10.688 1.00 9.64 H new ATOM 0 HE3 MET A 144 1.506 -13.580 -12.445 1.00 9.64 H new ATOM 2192 N MET A 145 3.722 -11.541 -7.076 1.00 6.37 N ATOM 2193 CA MET A 145 2.647 -10.921 -6.307 1.00 5.88 C ATOM 2194 C MET A 145 2.974 -9.433 -6.160 1.00 6.25 C ATOM 2195 O MET A 145 2.110 -8.611 -5.842 1.00 6.33 O ATOM 2196 CB MET A 145 2.411 -11.639 -4.954 1.00 4.66 C ATOM 2197 CG MET A 145 3.159 -11.058 -3.766 1.00 3.68 C ATOM 2198 SD MET A 145 2.305 -9.658 -3.017 1.00 3.52 S ATOM 2199 CE MET A 145 3.699 -8.643 -2.540 1.00 3.45 C ATOM 0 H MET A 145 4.538 -11.793 -6.518 1.00 6.37 H new ATOM 0 HA MET A 145 1.698 -11.021 -6.833 1.00 5.88 H new ATOM 0 HB2 MET A 145 1.344 -11.620 -4.734 1.00 4.66 H new ATOM 0 HB3 MET A 145 2.695 -12.686 -5.064 1.00 4.66 H new ATOM 0 HG2 MET A 145 3.299 -11.836 -3.015 1.00 3.68 H new ATOM 0 HG3 MET A 145 4.152 -10.742 -4.087 1.00 3.68 H new ATOM 0 HE1 MET A 145 3.466 -8.116 -1.615 1.00 3.45 H new ATOM 0 HE2 MET A 145 4.574 -9.275 -2.387 1.00 3.45 H new ATOM 0 HE3 MET A 145 3.908 -7.918 -3.327 1.00 3.45 H new ATOM 2209 N THR A 146 4.257 -9.129 -6.404 1.00 6.65 N ATOM 2210 CA THR A 146 4.781 -7.772 -6.379 1.00 7.20 C ATOM 2211 C THR A 146 4.721 -7.189 -7.800 1.00 8.45 C ATOM 2212 O THR A 146 4.675 -5.968 -7.976 1.00 8.99 O ATOM 2213 CB THR A 146 6.243 -7.745 -5.861 1.00 7.31 C ATOM 2214 OG1 THR A 146 6.397 -8.670 -4.776 1.00 6.44 O ATOM 2215 CG2 THR A 146 6.647 -6.351 -5.385 1.00 7.72 C ATOM 0 H THR A 146 4.961 -9.833 -6.626 1.00 6.65 H new ATOM 0 HA THR A 146 4.174 -7.173 -5.700 1.00 7.20 H new ATOM 0 HB THR A 146 6.889 -8.028 -6.692 1.00 7.31 H new ATOM 0 HG1 THR A 146 6.256 -9.583 -5.102 1.00 6.44 H new ATOM 0 HG21 THR A 146 7.677 -6.372 -5.030 1.00 7.72 H new ATOM 0 HG22 THR A 146 6.563 -5.646 -6.212 1.00 7.72 H new ATOM 0 HG23 THR A 146 5.990 -6.039 -4.573 1.00 7.72 H new ATOM 2223 N ALA A 147 4.721 -8.088 -8.809 1.00 8.92 N ATOM 2224 CA ALA A 147 4.648 -7.691 -10.216 1.00 10.15 C ATOM 2225 C ALA A 147 3.194 -7.552 -10.682 1.00 10.43 C ATOM 2226 O ALA A 147 2.888 -6.699 -11.520 1.00 11.37 O ATOM 2227 CB ALA A 147 5.385 -8.701 -11.082 1.00 10.68 C ATOM 0 H ALA A 147 4.771 -9.096 -8.665 1.00 8.92 H new ATOM 0 HA ALA A 147 5.126 -6.716 -10.317 1.00 10.15 H new ATOM 0 HB1 ALA A 147 5.325 -8.397 -12.127 1.00 10.68 H new ATOM 0 HB2 ALA A 147 6.430 -8.747 -10.777 1.00 10.68 H new ATOM 0 HB3 ALA A 147 4.929 -9.684 -10.963 1.00 10.68 H new ATOM 2233 N LYS A 148 2.309 -8.397 -10.130 1.00 9.72 N ATOM 2234 CA LYS A 148 0.897 -8.376 -10.470 1.00 10.13 C ATOM 2235 C LYS A 148 0.037 -8.232 -9.215 1.00 9.70 C ATOM 2236 O LYS A 148 -0.691 -7.222 -9.113 1.00 9.60 O ATOM 2237 CB LYS A 148 0.496 -9.640 -11.250 1.00 10.60 C ATOM 2238 CG LYS A 148 0.973 -9.665 -12.700 1.00 11.38 C ATOM 2239 CD LYS A 148 2.365 -10.267 -12.829 1.00 11.36 C ATOM 2240 CE LYS A 148 2.818 -10.319 -14.279 1.00 12.34 C ATOM 2241 NZ LYS A 148 4.164 -10.940 -14.418 1.00 12.59 N ATOM 2242 OXT LYS A 148 0.105 -9.123 -8.340 1.00 9.69 O ATOM 0 H LYS A 148 2.560 -9.106 -9.441 1.00 9.72 H new ATOM 0 HA LYS A 148 0.724 -7.511 -11.110 1.00 10.13 H new ATOM 0 HB2 LYS A 148 0.896 -10.513 -10.734 1.00 10.60 H new ATOM 0 HB3 LYS A 148 -0.590 -9.731 -11.236 1.00 10.60 H new ATOM 0 HG2 LYS A 148 0.271 -10.241 -13.303 1.00 11.38 H new ATOM 0 HG3 LYS A 148 0.978 -8.650 -13.098 1.00 11.38 H new ATOM 0 HD2 LYS A 148 3.073 -9.677 -12.247 1.00 11.36 H new ATOM 0 HD3 LYS A 148 2.368 -11.273 -12.410 1.00 11.36 H new ATOM 0 HE2 LYS A 148 2.095 -10.885 -14.865 1.00 12.34 H new ATOM 0 HE3 LYS A 148 2.840 -9.309 -14.689 1.00 12.34 H new ATOM 0 HZ1 LYS A 148 4.437 -10.957 -15.421 1.00 12.59 H new ATOM 0 HZ2 LYS A 148 4.860 -10.385 -13.879 1.00 12.59 H new ATOM 0 HZ3 LYS A 148 4.137 -11.912 -14.050 1.00 12.59 H new