USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 607 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 49 ASN : amide:sc= -3.74! C(o=-7.1!,f=-9.2!) USER MOD Set 1.2: A 69 ASN : amide:sc= -3.37 K(o=-7.1,f=-9!) USER MOD Set 2.1: A 37 SER OG : rot -70:sc= -0.752 USER MOD Set 2.2: A 40 THR OG1 : rot -140:sc= -0.72 USER MOD Single : A 7 SER OG : rot 57:sc= 0.779 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.421 K(o=-0.42,f=-2.7!) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0162 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 24 ASN : amide:sc= -0.868 K(o=-0.87,f=-0.12) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.614 K(o=-0.61,f=-2.3!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.0359 X(o=-0.036,f=-0.36) USER MOD Single : A 42 GLN : amide:sc= -0.0931 K(o=-0.093,f=-0.88) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 140:sc= -2.69 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -3.31! C(o=-3.3!,f=-8.1!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= -0.298 USER MOD Single : A 62 HIS : no HE2:sc= -2.15 K(o=-2.2,f=-4.1) USER MOD Single : A 66 SER OG : rot 8:sc= 0.296! USER MOD Single : A 67 THR OG1 : rot 180:sc= -1.83! USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.231 X(o=-0.23,f=-0.47) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 35:sc= 1.26 USER MOD Single : A 83 GLN : amide:sc= -0.0593 K(o=-0.059,f=-1.1) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 64:sc= 0.967 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 71 N VAL A 6 15.533 0.071 1.952 1.00 54.22 N ATOM 72 CA VAL A 6 15.288 1.119 2.935 1.00 11.24 C ATOM 73 C VAL A 6 16.560 1.460 3.704 1.00 72.42 C ATOM 74 O VAL A 6 17.041 2.592 3.658 1.00 33.22 O ATOM 75 CB VAL A 6 14.192 0.705 3.936 1.00 42.33 C ATOM 76 CG1 VAL A 6 13.937 1.819 4.940 1.00 41.13 C ATOM 77 CG2 VAL A 6 12.913 0.335 3.201 1.00 54.53 C ATOM 0 HA VAL A 6 14.953 1.998 2.384 1.00 11.24 H new ATOM 0 HB VAL A 6 14.536 -0.172 4.484 1.00 42.33 H new ATOM 0 HG11 VAL A 6 13.160 1.508 5.639 1.00 41.13 H new ATOM 0 HG12 VAL A 6 14.855 2.031 5.489 1.00 41.13 H new ATOM 0 HG13 VAL A 6 13.613 2.717 4.413 1.00 41.13 H new ATOM 0 HG21 VAL A 6 12.149 0.045 3.923 1.00 54.53 H new ATOM 0 HG22 VAL A 6 12.562 1.192 2.627 1.00 54.53 H new ATOM 0 HG23 VAL A 6 13.109 -0.498 2.526 1.00 54.53 H new ATOM 87 N SER A 7 17.101 0.472 4.409 1.00 33.55 N ATOM 88 CA SER A 7 18.316 0.667 5.191 1.00 20.13 C ATOM 89 C SER A 7 18.731 -0.628 5.883 1.00 33.04 C ATOM 90 O SER A 7 17.913 -1.527 6.083 1.00 2.12 O ATOM 91 CB SER A 7 18.107 1.770 6.231 1.00 63.23 C ATOM 92 OG SER A 7 18.683 2.991 5.801 1.00 41.20 O ATOM 0 H SER A 7 16.717 -0.472 4.455 1.00 33.55 H new ATOM 0 HA SER A 7 19.113 0.966 4.510 1.00 20.13 H new ATOM 0 HB2 SER A 7 17.041 1.910 6.408 1.00 63.23 H new ATOM 0 HB3 SER A 7 18.551 1.469 7.180 1.00 63.23 H new ATOM 0 HG SER A 7 18.307 3.242 4.932 1.00 41.20 H new ATOM 98 N ILE A 8 20.006 -0.715 6.247 1.00 72.15 N ATOM 99 CA ILE A 8 20.529 -1.899 6.917 1.00 5.30 C ATOM 100 C ILE A 8 21.363 -1.517 8.135 1.00 1.44 C ATOM 101 O ILE A 8 21.959 -0.441 8.180 1.00 42.41 O ATOM 102 CB ILE A 8 21.391 -2.750 5.966 1.00 44.43 C ATOM 103 CG1 ILE A 8 20.664 -2.964 4.637 1.00 54.30 C ATOM 104 CG2 ILE A 8 21.731 -4.085 6.611 1.00 45.12 C ATOM 105 CD1 ILE A 8 20.987 -1.915 3.595 1.00 35.44 C ATOM 0 H ILE A 8 20.695 0.020 6.089 1.00 72.15 H new ATOM 0 HA ILE A 8 19.668 -2.486 7.237 1.00 5.30 H new ATOM 0 HB ILE A 8 22.321 -2.217 5.768 1.00 44.43 H new ATOM 0 HG12 ILE A 8 20.924 -3.947 4.244 1.00 54.30 H new ATOM 0 HG13 ILE A 8 19.589 -2.967 4.817 1.00 54.30 H new ATOM 0 HG21 ILE A 8 22.341 -4.675 5.927 1.00 45.12 H new ATOM 0 HG22 ILE A 8 22.285 -3.913 7.534 1.00 45.12 H new ATOM 0 HG23 ILE A 8 20.811 -4.625 6.836 1.00 45.12 H new ATOM 0 HD11 ILE A 8 20.436 -2.130 2.679 1.00 35.44 H new ATOM 0 HD12 ILE A 8 20.701 -0.932 3.968 1.00 35.44 H new ATOM 0 HD13 ILE A 8 22.057 -1.927 3.386 1.00 35.44 H new ATOM 117 N SER A 9 21.401 -2.406 9.122 1.00 24.51 N ATOM 118 CA SER A 9 22.161 -2.162 10.343 1.00 73.12 C ATOM 119 C SER A 9 23.446 -2.984 10.357 1.00 71.11 C ATOM 120 O SER A 9 23.410 -4.215 10.343 1.00 51.54 O ATOM 121 CB SER A 9 21.313 -2.498 11.571 1.00 24.35 C ATOM 122 OG SER A 9 21.059 -1.340 12.348 1.00 62.50 O ATOM 0 H SER A 9 20.914 -3.302 9.100 1.00 24.51 H new ATOM 0 HA SER A 9 22.427 -1.105 10.372 1.00 73.12 H new ATOM 0 HB2 SER A 9 20.369 -2.942 11.255 1.00 24.35 H new ATOM 0 HB3 SER A 9 21.827 -3.242 12.179 1.00 24.35 H new ATOM 0 HG SER A 9 20.514 -1.581 13.126 1.00 62.50 H new ATOM 128 N VAL A 10 24.582 -2.294 10.385 1.00 31.20 N ATOM 129 CA VAL A 10 25.880 -2.959 10.402 1.00 14.42 C ATOM 130 C VAL A 10 26.532 -2.854 11.776 1.00 45.12 C ATOM 131 O VAL A 10 26.555 -1.784 12.384 1.00 44.34 O ATOM 132 CB VAL A 10 26.830 -2.361 9.347 1.00 31.43 C ATOM 133 CG1 VAL A 10 27.084 -0.889 9.630 1.00 1.43 C ATOM 134 CG2 VAL A 10 28.137 -3.139 9.308 1.00 50.54 C ATOM 0 H VAL A 10 24.630 -1.275 10.396 1.00 31.20 H new ATOM 0 HA VAL A 10 25.702 -4.008 10.167 1.00 14.42 H new ATOM 0 HB VAL A 10 26.356 -2.441 8.369 1.00 31.43 H new ATOM 0 HG11 VAL A 10 27.757 -0.484 8.874 1.00 1.43 H new ATOM 0 HG12 VAL A 10 26.140 -0.345 9.604 1.00 1.43 H new ATOM 0 HG13 VAL A 10 27.538 -0.781 10.615 1.00 1.43 H new ATOM 0 HG21 VAL A 10 28.797 -2.704 8.558 1.00 50.54 H new ATOM 0 HG22 VAL A 10 28.618 -3.092 10.285 1.00 50.54 H new ATOM 0 HG23 VAL A 10 27.934 -4.179 9.053 1.00 50.54 H new ATOM 144 N SER A 11 27.063 -3.972 12.260 1.00 61.44 N ATOM 145 CA SER A 11 27.714 -4.008 13.564 1.00 43.31 C ATOM 146 C SER A 11 29.210 -4.273 13.417 1.00 34.15 C ATOM 147 O SER A 11 29.699 -5.373 13.676 1.00 42.21 O ATOM 148 CB SER A 11 27.078 -5.083 14.446 1.00 31.42 C ATOM 149 OG SER A 11 26.117 -4.521 15.323 1.00 73.24 O ATOM 0 H SER A 11 27.055 -4.866 11.768 1.00 61.44 H new ATOM 0 HA SER A 11 27.580 -3.035 14.037 1.00 43.31 H new ATOM 0 HB2 SER A 11 26.605 -5.839 13.819 1.00 31.42 H new ATOM 0 HB3 SER A 11 27.852 -5.588 15.025 1.00 31.42 H new ATOM 0 HG SER A 11 25.724 -5.229 15.875 1.00 73.24 H new ATOM 155 N PRO A 12 29.954 -3.241 12.993 1.00 71.35 N ATOM 156 CA PRO A 12 31.404 -3.337 12.802 1.00 2.11 C ATOM 157 C PRO A 12 32.155 -3.462 14.123 1.00 4.43 C ATOM 158 O PRO A 12 31.703 -2.966 15.156 1.00 23.32 O ATOM 159 CB PRO A 12 31.758 -2.020 12.108 1.00 44.52 C ATOM 160 CG PRO A 12 30.683 -1.074 12.519 1.00 5.41 C ATOM 161 CD PRO A 12 29.437 -1.902 12.666 1.00 50.23 C ATOM 0 HA PRO A 12 31.683 -4.223 12.232 1.00 2.11 H new ATOM 0 HB2 PRO A 12 32.740 -1.661 12.417 1.00 44.52 H new ATOM 0 HB3 PRO A 12 31.788 -2.139 11.025 1.00 44.52 H new ATOM 0 HG2 PRO A 12 30.936 -0.580 13.457 1.00 5.41 H new ATOM 0 HG3 PRO A 12 30.546 -0.291 11.773 1.00 5.41 H new ATOM 0 HD2 PRO A 12 28.790 -1.518 13.454 1.00 50.23 H new ATOM 0 HD3 PRO A 12 28.850 -1.911 11.748 1.00 50.23 H new ATOM 169 N THR A 13 33.306 -4.126 14.084 1.00 22.22 N ATOM 170 CA THR A 13 34.120 -4.316 15.278 1.00 32.53 C ATOM 171 C THR A 13 35.472 -3.626 15.138 1.00 14.12 C ATOM 172 O THR A 13 36.295 -4.015 14.311 1.00 53.53 O ATOM 173 CB THR A 13 34.348 -5.812 15.570 1.00 13.45 C ATOM 174 OG1 THR A 13 34.009 -6.593 14.419 1.00 0.13 O ATOM 175 CG2 THR A 13 33.514 -6.264 16.760 1.00 52.23 C ATOM 0 H THR A 13 33.696 -4.541 13.238 1.00 22.22 H new ATOM 0 HA THR A 13 33.572 -3.870 16.108 1.00 32.53 H new ATOM 0 HB THR A 13 35.402 -5.957 15.809 1.00 13.45 H new ATOM 0 HG1 THR A 13 34.158 -7.542 14.612 1.00 0.13 H new ATOM 0 HG21 THR A 13 33.691 -7.323 16.947 1.00 52.23 H new ATOM 0 HG22 THR A 13 33.795 -5.688 17.641 1.00 52.23 H new ATOM 0 HG23 THR A 13 32.457 -6.106 16.545 1.00 52.23 H new ATOM 183 N ASN A 14 35.694 -2.600 15.953 1.00 0.13 N ATOM 184 CA ASN A 14 36.947 -1.855 15.920 1.00 44.02 C ATOM 185 C ASN A 14 37.875 -2.300 17.046 1.00 21.42 C ATOM 186 O ASN A 14 37.788 -1.803 18.169 1.00 62.40 O ATOM 187 CB ASN A 14 36.676 -0.353 16.032 1.00 75.55 C ATOM 188 CG ASN A 14 35.621 -0.033 17.074 1.00 45.34 C ATOM 189 OD1 ASN A 14 35.401 -0.804 18.008 1.00 41.04 O ATOM 190 ND2 ASN A 14 34.964 1.110 16.918 1.00 40.55 N ATOM 0 H ASN A 14 35.023 -2.266 16.644 1.00 0.13 H new ATOM 0 HA ASN A 14 37.436 -2.059 14.967 1.00 44.02 H new ATOM 0 HB2 ASN A 14 37.602 0.163 16.286 1.00 75.55 H new ATOM 0 HB3 ASN A 14 36.354 0.029 15.063 1.00 75.55 H new ATOM 0 HD21 ASN A 14 34.244 1.380 17.588 1.00 40.55 H new ATOM 0 HD22 ASN A 14 35.180 1.719 16.128 1.00 40.55 H new ATOM 197 N SER A 15 38.763 -3.240 16.737 1.00 2.14 N ATOM 198 CA SER A 15 39.705 -3.755 17.724 1.00 44.00 C ATOM 199 C SER A 15 40.906 -4.403 17.042 1.00 45.33 C ATOM 200 O SER A 15 41.086 -4.284 15.829 1.00 3.32 O ATOM 201 CB SER A 15 39.016 -4.769 18.638 1.00 35.32 C ATOM 202 OG SER A 15 39.590 -4.761 19.934 1.00 72.53 O ATOM 0 H SER A 15 38.850 -3.660 15.812 1.00 2.14 H new ATOM 0 HA SER A 15 40.058 -2.917 18.324 1.00 44.00 H new ATOM 0 HB2 SER A 15 37.953 -4.538 18.706 1.00 35.32 H new ATOM 0 HB3 SER A 15 39.098 -5.767 18.207 1.00 35.32 H new ATOM 0 HG SER A 15 39.131 -5.417 20.499 1.00 72.53 H new ATOM 208 N THR A 16 41.728 -5.090 17.830 1.00 53.50 N ATOM 209 CA THR A 16 42.913 -5.756 17.304 1.00 14.32 C ATOM 210 C THR A 16 42.728 -7.269 17.281 1.00 10.40 C ATOM 211 O THR A 16 41.901 -7.815 18.011 1.00 11.45 O ATOM 212 CB THR A 16 44.164 -5.415 18.136 1.00 72.34 C ATOM 213 OG1 THR A 16 44.121 -6.105 19.390 1.00 42.12 O ATOM 214 CG2 THR A 16 44.261 -3.917 18.378 1.00 1.32 C ATOM 0 H THR A 16 41.594 -5.199 18.835 1.00 53.50 H new ATOM 0 HA THR A 16 43.054 -5.395 16.285 1.00 14.32 H new ATOM 0 HB THR A 16 45.044 -5.734 17.577 1.00 72.34 H new ATOM 0 HG1 THR A 16 44.920 -5.884 19.912 1.00 42.12 H new ATOM 0 HG21 THR A 16 45.152 -3.701 18.967 1.00 1.32 H new ATOM 0 HG22 THR A 16 44.323 -3.397 17.422 1.00 1.32 H new ATOM 0 HG23 THR A 16 43.377 -3.578 18.918 1.00 1.32 H new ATOM 222 N VAL A 17 43.504 -7.942 16.438 1.00 61.03 N ATOM 223 CA VAL A 17 43.427 -9.393 16.321 1.00 62.33 C ATOM 224 C VAL A 17 44.818 -10.017 16.301 1.00 70.44 C ATOM 225 O VAL A 17 45.790 -9.379 15.898 1.00 70.45 O ATOM 226 CB VAL A 17 42.669 -9.814 15.048 1.00 60.51 C ATOM 227 CG1 VAL A 17 42.375 -11.307 15.070 1.00 5.22 C ATOM 228 CG2 VAL A 17 41.385 -9.012 14.903 1.00 33.22 C ATOM 0 H VAL A 17 44.193 -7.506 15.826 1.00 61.03 H new ATOM 0 HA VAL A 17 42.883 -9.753 17.194 1.00 62.33 H new ATOM 0 HB VAL A 17 43.301 -9.605 14.185 1.00 60.51 H new ATOM 0 HG11 VAL A 17 41.839 -11.586 14.163 1.00 5.22 H new ATOM 0 HG12 VAL A 17 43.312 -11.862 15.123 1.00 5.22 H new ATOM 0 HG13 VAL A 17 41.763 -11.545 15.940 1.00 5.22 H new ATOM 0 HG21 VAL A 17 40.862 -9.322 13.998 1.00 33.22 H new ATOM 0 HG22 VAL A 17 40.747 -9.187 15.769 1.00 33.22 H new ATOM 0 HG23 VAL A 17 41.624 -7.951 14.838 1.00 33.22 H new ATOM 238 N ALA A 18 44.905 -11.269 16.738 1.00 21.31 N ATOM 239 CA ALA A 18 46.177 -11.981 16.768 1.00 34.30 C ATOM 240 C ALA A 18 46.659 -12.302 15.358 1.00 64.34 C ATOM 241 O ALA A 18 45.893 -12.233 14.397 1.00 74.52 O ATOM 242 CB ALA A 18 46.048 -13.257 17.587 1.00 30.10 C ATOM 0 H ALA A 18 44.110 -11.811 17.076 1.00 21.31 H new ATOM 0 HA ALA A 18 46.917 -11.334 17.238 1.00 34.30 H new ATOM 0 HB1 ALA A 18 47.005 -13.779 17.601 1.00 30.10 H new ATOM 0 HB2 ALA A 18 45.756 -13.007 18.607 1.00 30.10 H new ATOM 0 HB3 ALA A 18 45.290 -13.901 17.140 1.00 30.10 H new ATOM 248 N LYS A 19 47.936 -12.653 15.240 1.00 53.44 N ATOM 249 CA LYS A 19 48.522 -12.985 13.947 1.00 71.04 C ATOM 250 C LYS A 19 47.706 -14.063 13.241 1.00 63.55 C ATOM 251 O LYS A 19 47.503 -15.152 13.776 1.00 14.14 O ATOM 252 CB LYS A 19 49.966 -13.458 14.125 1.00 44.11 C ATOM 253 CG LYS A 19 50.102 -14.675 15.024 1.00 55.23 C ATOM 254 CD LYS A 19 51.335 -14.582 15.906 1.00 63.32 C ATOM 255 CE LYS A 19 50.990 -14.066 17.294 1.00 3.13 C ATOM 256 NZ LYS A 19 50.874 -15.172 18.284 1.00 31.04 N ATOM 0 H LYS A 19 48.585 -12.715 16.025 1.00 53.44 H new ATOM 0 HA LYS A 19 48.514 -12.086 13.331 1.00 71.04 H new ATOM 0 HB2 LYS A 19 50.386 -13.691 13.147 1.00 44.11 H new ATOM 0 HB3 LYS A 19 50.558 -12.642 14.540 1.00 44.11 H new ATOM 0 HG2 LYS A 19 49.213 -14.768 15.648 1.00 55.23 H new ATOM 0 HG3 LYS A 19 50.158 -15.576 14.413 1.00 55.23 H new ATOM 0 HD2 LYS A 19 51.800 -15.564 15.987 1.00 63.32 H new ATOM 0 HD3 LYS A 19 52.066 -13.920 15.442 1.00 63.32 H new ATOM 0 HE2 LYS A 19 51.757 -13.364 17.622 1.00 3.13 H new ATOM 0 HE3 LYS A 19 50.050 -13.515 17.253 1.00 3.13 H new ATOM 0 HZ1 LYS A 19 50.638 -14.779 19.217 1.00 31.04 H new ATOM 0 HZ2 LYS A 19 50.125 -15.828 17.985 1.00 31.04 H new ATOM 0 HZ3 LYS A 19 51.778 -15.682 18.342 1.00 31.04 H new ATOM 270 N GLY A 20 47.243 -13.754 12.033 1.00 12.44 N ATOM 271 CA GLY A 20 46.456 -14.707 11.273 1.00 21.35 C ATOM 272 C GLY A 20 45.204 -15.143 12.009 1.00 25.10 C ATOM 273 O GLY A 20 45.251 -16.040 12.852 1.00 3.45 O ATOM 0 H GLY A 20 47.399 -12.860 11.567 1.00 12.44 H new ATOM 0 HA2 GLY A 20 46.176 -14.263 10.318 1.00 21.35 H new ATOM 0 HA3 GLY A 20 47.066 -15.582 11.051 1.00 21.35 H new ATOM 277 N LEU A 21 44.082 -14.507 11.691 1.00 21.54 N ATOM 278 CA LEU A 21 42.811 -14.833 12.330 1.00 64.44 C ATOM 279 C LEU A 21 41.637 -14.380 11.468 1.00 3.20 C ATOM 280 O LEU A 21 41.810 -13.609 10.525 1.00 54.54 O ATOM 281 CB LEU A 21 42.729 -14.179 13.710 1.00 73.12 C ATOM 282 CG LEU A 21 42.557 -15.131 14.894 1.00 0.44 C ATOM 283 CD1 LEU A 21 43.871 -15.294 15.643 1.00 52.23 C ATOM 284 CD2 LEU A 21 41.467 -14.627 15.830 1.00 45.34 C ATOM 0 H LEU A 21 44.026 -13.763 10.995 1.00 21.54 H new ATOM 0 HA LEU A 21 42.757 -15.916 12.445 1.00 64.44 H new ATOM 0 HB2 LEU A 21 43.636 -13.595 13.868 1.00 73.12 H new ATOM 0 HB3 LEU A 21 41.894 -13.478 13.709 1.00 73.12 H new ATOM 0 HG LEU A 21 42.257 -16.106 14.511 1.00 0.44 H new ATOM 0 HD11 LEU A 21 43.729 -15.975 16.482 1.00 52.23 H new ATOM 0 HD12 LEU A 21 44.626 -15.700 14.970 1.00 52.23 H new ATOM 0 HD13 LEU A 21 44.201 -14.324 16.015 1.00 52.23 H new ATOM 0 HD21 LEU A 21 41.358 -15.317 16.667 1.00 45.34 H new ATOM 0 HD22 LEU A 21 41.738 -13.640 16.206 1.00 45.34 H new ATOM 0 HD23 LEU A 21 40.523 -14.562 15.288 1.00 45.34 H new ATOM 296 N GLN A 22 40.444 -14.862 11.801 1.00 64.41 N ATOM 297 CA GLN A 22 39.242 -14.505 11.058 1.00 12.21 C ATOM 298 C GLN A 22 38.168 -13.956 11.992 1.00 61.11 C ATOM 299 O GLN A 22 38.023 -14.417 13.123 1.00 35.24 O ATOM 300 CB GLN A 22 38.704 -15.721 10.301 1.00 12.55 C ATOM 301 CG GLN A 22 39.648 -16.236 9.228 1.00 44.34 C ATOM 302 CD GLN A 22 40.283 -17.563 9.596 1.00 54.52 C ATOM 303 OE1 GLN A 22 40.926 -17.688 10.638 1.00 31.23 O ATOM 304 NE2 GLN A 22 40.104 -18.562 8.740 1.00 21.00 N ATOM 0 H GLN A 22 40.284 -15.501 12.580 1.00 64.41 H new ATOM 0 HA GLN A 22 39.506 -13.728 10.341 1.00 12.21 H new ATOM 0 HB2 GLN A 22 38.504 -16.522 11.012 1.00 12.55 H new ATOM 0 HB3 GLN A 22 37.752 -15.459 9.840 1.00 12.55 H new ATOM 0 HG2 GLN A 22 39.101 -16.347 8.291 1.00 44.34 H new ATOM 0 HG3 GLN A 22 40.432 -15.498 9.055 1.00 44.34 H new ATOM 0 HE21 GLN A 22 39.563 -18.413 7.888 1.00 21.00 H new ATOM 0 HE22 GLN A 22 40.507 -19.479 8.934 1.00 21.00 H new ATOM 313 N GLU A 23 37.419 -12.969 11.510 1.00 64.12 N ATOM 314 CA GLU A 23 36.360 -12.357 12.303 1.00 32.42 C ATOM 315 C GLU A 23 35.006 -12.516 11.617 1.00 11.02 C ATOM 316 O GLU A 23 34.915 -12.507 10.390 1.00 1.15 O ATOM 317 CB GLU A 23 36.656 -10.874 12.534 1.00 64.13 C ATOM 318 CG GLU A 23 36.777 -10.498 14.001 1.00 31.41 C ATOM 319 CD GLU A 23 38.059 -11.007 14.630 1.00 5.01 C ATOM 320 OE1 GLU A 23 38.401 -12.188 14.408 1.00 41.55 O ATOM 321 OE2 GLU A 23 38.721 -10.225 15.345 1.00 61.54 O ATOM 0 H GLU A 23 37.526 -12.577 10.575 1.00 64.12 H new ATOM 0 HA GLU A 23 36.323 -12.866 13.266 1.00 32.42 H new ATOM 0 HB2 GLU A 23 37.583 -10.614 12.023 1.00 64.13 H new ATOM 0 HB3 GLU A 23 35.864 -10.279 12.079 1.00 64.13 H new ATOM 0 HG2 GLU A 23 36.735 -9.413 14.099 1.00 31.41 H new ATOM 0 HG3 GLU A 23 35.924 -10.901 14.547 1.00 31.41 H new ATOM 328 N ASN A 24 33.956 -12.662 12.419 1.00 2.24 N ATOM 329 CA ASN A 24 32.607 -12.824 11.891 1.00 52.35 C ATOM 330 C ASN A 24 31.867 -11.490 11.869 1.00 0.45 C ATOM 331 O ASN A 24 31.985 -10.687 12.796 1.00 61.31 O ATOM 332 CB ASN A 24 31.827 -13.839 12.728 1.00 33.02 C ATOM 333 CG ASN A 24 31.996 -13.611 14.218 1.00 62.41 C ATOM 334 OD1 ASN A 24 31.161 -12.973 14.858 1.00 1.35 O ATOM 335 ND2 ASN A 24 33.082 -14.134 14.776 1.00 34.34 N ATOM 0 H ASN A 24 34.014 -12.671 13.437 1.00 2.24 H new ATOM 0 HA ASN A 24 32.687 -13.192 10.868 1.00 52.35 H new ATOM 0 HB2 ASN A 24 30.769 -13.781 12.472 1.00 33.02 H new ATOM 0 HB3 ASN A 24 32.161 -14.846 12.477 1.00 33.02 H new ATOM 0 HD21 ASN A 24 33.250 -14.014 15.775 1.00 34.34 H new ATOM 0 HD22 ASN A 24 33.747 -14.656 14.206 1.00 34.34 H new ATOM 342 N PHE A 25 31.104 -11.259 10.806 1.00 34.34 N ATOM 343 CA PHE A 25 30.344 -10.022 10.664 1.00 64.42 C ATOM 344 C PHE A 25 28.846 -10.288 10.778 1.00 41.24 C ATOM 345 O PHE A 25 28.399 -11.433 10.709 1.00 64.00 O ATOM 346 CB PHE A 25 30.656 -9.360 9.320 1.00 11.13 C ATOM 347 CG PHE A 25 30.946 -7.890 9.430 1.00 72.25 C ATOM 348 CD1 PHE A 25 31.966 -7.431 10.247 1.00 41.24 C ATOM 349 CD2 PHE A 25 30.198 -6.968 8.715 1.00 33.15 C ATOM 350 CE1 PHE A 25 32.236 -6.079 10.349 1.00 12.02 C ATOM 351 CE2 PHE A 25 30.463 -5.615 8.814 1.00 61.33 C ATOM 352 CZ PHE A 25 31.482 -5.170 9.632 1.00 25.15 C ATOM 0 H PHE A 25 30.995 -11.912 10.030 1.00 34.34 H new ATOM 0 HA PHE A 25 30.637 -9.349 11.470 1.00 64.42 H new ATOM 0 HB2 PHE A 25 31.514 -9.859 8.868 1.00 11.13 H new ATOM 0 HB3 PHE A 25 29.811 -9.506 8.647 1.00 11.13 H new ATOM 0 HD1 PHE A 25 32.557 -8.137 10.811 1.00 41.24 H new ATOM 0 HD2 PHE A 25 29.399 -7.310 8.074 1.00 33.15 H new ATOM 0 HE1 PHE A 25 33.035 -5.734 10.988 1.00 12.02 H new ATOM 0 HE2 PHE A 25 29.873 -4.906 8.252 1.00 61.33 H new ATOM 0 HZ PHE A 25 31.689 -4.113 9.711 1.00 25.15 H new ATOM 362 N LYS A 26 28.074 -9.221 10.953 1.00 41.43 N ATOM 363 CA LYS A 26 26.626 -9.335 11.076 1.00 73.42 C ATOM 364 C LYS A 26 25.927 -8.163 10.394 1.00 22.12 C ATOM 365 O LYS A 26 26.228 -7.003 10.672 1.00 43.41 O ATOM 366 CB LYS A 26 26.222 -9.396 12.551 1.00 73.04 C ATOM 367 CG LYS A 26 26.924 -8.364 13.416 1.00 33.35 C ATOM 368 CD LYS A 26 28.054 -8.986 14.219 1.00 31.14 C ATOM 369 CE LYS A 26 28.295 -8.233 15.518 1.00 0.44 C ATOM 370 NZ LYS A 26 28.736 -9.141 16.613 1.00 35.01 N ATOM 0 H LYS A 26 28.428 -8.266 11.013 1.00 41.43 H new ATOM 0 HA LYS A 26 26.316 -10.256 10.582 1.00 73.42 H new ATOM 0 HB2 LYS A 26 25.144 -9.252 12.630 1.00 73.04 H new ATOM 0 HB3 LYS A 26 26.440 -10.391 12.938 1.00 73.04 H new ATOM 0 HG2 LYS A 26 27.320 -7.568 12.785 1.00 33.35 H new ATOM 0 HG3 LYS A 26 26.204 -7.906 14.094 1.00 33.35 H new ATOM 0 HD2 LYS A 26 27.815 -10.026 14.439 1.00 31.14 H new ATOM 0 HD3 LYS A 26 28.967 -8.988 13.623 1.00 31.14 H new ATOM 0 HE2 LYS A 26 29.051 -7.464 15.357 1.00 0.44 H new ATOM 0 HE3 LYS A 26 27.380 -7.722 15.817 1.00 0.44 H new ATOM 0 HZ1 LYS A 26 28.890 -8.589 17.481 1.00 35.01 H new ATOM 0 HZ2 LYS A 26 28.004 -9.859 16.784 1.00 35.01 H new ATOM 0 HZ3 LYS A 26 29.623 -9.610 16.339 1.00 35.01 H new ATOM 384 N ALA A 27 24.992 -8.475 9.502 1.00 5.53 N ATOM 385 CA ALA A 27 24.249 -7.447 8.784 1.00 0.33 C ATOM 386 C ALA A 27 22.772 -7.810 8.680 1.00 53.14 C ATOM 387 O ALA A 27 22.410 -8.811 8.061 1.00 34.30 O ATOM 388 CB ALA A 27 24.842 -7.237 7.399 1.00 4.31 C ATOM 0 H ALA A 27 24.731 -9.431 9.260 1.00 5.53 H new ATOM 0 HA ALA A 27 24.329 -6.516 9.346 1.00 0.33 H new ATOM 0 HB1 ALA A 27 24.277 -6.467 6.874 1.00 4.31 H new ATOM 0 HB2 ALA A 27 25.882 -6.924 7.492 1.00 4.31 H new ATOM 0 HB3 ALA A 27 24.792 -8.169 6.837 1.00 4.31 H new ATOM 394 N THR A 28 21.921 -6.990 9.289 1.00 73.00 N ATOM 395 CA THR A 28 20.483 -7.226 9.266 1.00 52.01 C ATOM 396 C THR A 28 19.750 -6.087 8.567 1.00 52.23 C ATOM 397 O THR A 28 19.552 -5.017 9.142 1.00 72.51 O ATOM 398 CB THR A 28 19.917 -7.388 10.689 1.00 1.05 C ATOM 399 OG1 THR A 28 20.904 -7.008 11.655 1.00 52.51 O ATOM 400 CG2 THR A 28 19.483 -8.825 10.939 1.00 4.52 C ATOM 0 H THR A 28 22.203 -6.156 9.804 1.00 73.00 H new ATOM 0 HA THR A 28 20.324 -8.151 8.712 1.00 52.01 H new ATOM 0 HB THR A 28 19.046 -6.740 10.785 1.00 1.05 H new ATOM 0 HG1 THR A 28 20.536 -7.112 12.557 1.00 52.51 H new ATOM 0 HG21 THR A 28 19.087 -8.915 11.950 1.00 4.52 H new ATOM 0 HG22 THR A 28 18.711 -9.102 10.221 1.00 4.52 H new ATOM 0 HG23 THR A 28 20.340 -9.489 10.825 1.00 4.52 H new ATOM 408 N GLY A 29 19.348 -6.324 7.321 1.00 1.45 N ATOM 409 CA GLY A 29 18.641 -5.308 6.564 1.00 15.55 C ATOM 410 C GLY A 29 17.141 -5.364 6.779 1.00 40.11 C ATOM 411 O GLY A 29 16.564 -6.446 6.893 1.00 40.31 O ATOM 0 H GLY A 29 19.500 -7.201 6.823 1.00 1.45 H new ATOM 0 HA2 GLY A 29 19.010 -4.323 6.851 1.00 15.55 H new ATOM 0 HA3 GLY A 29 18.858 -5.433 5.503 1.00 15.55 H new ATOM 415 N ILE A 30 16.509 -4.197 6.836 1.00 52.43 N ATOM 416 CA ILE A 30 15.068 -4.118 7.039 1.00 75.13 C ATOM 417 C ILE A 30 14.371 -3.534 5.814 1.00 31.33 C ATOM 418 O ILE A 30 14.485 -2.341 5.532 1.00 74.41 O ATOM 419 CB ILE A 30 14.718 -3.262 8.271 1.00 63.52 C ATOM 420 CG1 ILE A 30 15.474 -1.933 8.226 1.00 12.31 C ATOM 421 CG2 ILE A 30 15.042 -4.019 9.550 1.00 23.22 C ATOM 422 CD1 ILE A 30 14.595 -0.729 8.484 1.00 35.24 C ATOM 0 H ILE A 30 16.972 -3.293 6.744 1.00 52.43 H new ATOM 0 HA ILE A 30 14.717 -5.137 7.203 1.00 75.13 H new ATOM 0 HB ILE A 30 13.649 -3.051 8.258 1.00 63.52 H new ATOM 0 HG12 ILE A 30 16.274 -1.954 8.966 1.00 12.31 H new ATOM 0 HG13 ILE A 30 15.946 -1.826 7.249 1.00 12.31 H new ATOM 0 HG21 ILE A 30 14.789 -3.402 10.412 1.00 23.22 H new ATOM 0 HG22 ILE A 30 14.463 -4.942 9.583 1.00 23.22 H new ATOM 0 HG23 ILE A 30 16.106 -4.256 9.573 1.00 23.22 H new ATOM 0 HD11 ILE A 30 15.197 0.178 8.437 1.00 35.24 H new ATOM 0 HD12 ILE A 30 13.810 -0.683 7.729 1.00 35.24 H new ATOM 0 HD13 ILE A 30 14.143 -0.813 9.472 1.00 35.24 H new ATOM 434 N PHE A 31 13.648 -4.383 5.091 1.00 11.10 N ATOM 435 CA PHE A 31 12.931 -3.951 3.897 1.00 62.44 C ATOM 436 C PHE A 31 11.494 -4.463 3.910 1.00 33.22 C ATOM 437 O PHE A 31 11.231 -5.602 4.299 1.00 51.13 O ATOM 438 CB PHE A 31 13.649 -4.446 2.639 1.00 53.01 C ATOM 439 CG PHE A 31 15.146 -4.385 2.740 1.00 20.31 C ATOM 440 CD1 PHE A 31 15.783 -3.205 3.087 1.00 51.42 C ATOM 441 CD2 PHE A 31 15.917 -5.509 2.489 1.00 73.00 C ATOM 442 CE1 PHE A 31 17.161 -3.146 3.180 1.00 74.03 C ATOM 443 CE2 PHE A 31 17.295 -5.457 2.581 1.00 51.42 C ATOM 444 CZ PHE A 31 17.917 -4.274 2.928 1.00 44.44 C ATOM 0 H PHE A 31 13.543 -5.373 5.311 1.00 11.10 H new ATOM 0 HA PHE A 31 12.910 -2.861 3.891 1.00 62.44 H new ATOM 0 HB2 PHE A 31 13.348 -5.474 2.439 1.00 53.01 H new ATOM 0 HB3 PHE A 31 13.326 -3.848 1.787 1.00 53.01 H new ATOM 0 HD1 PHE A 31 15.196 -2.321 3.287 1.00 51.42 H new ATOM 0 HD2 PHE A 31 15.435 -6.437 2.218 1.00 73.00 H new ATOM 0 HE1 PHE A 31 17.646 -2.219 3.449 1.00 74.03 H new ATOM 0 HE2 PHE A 31 17.884 -6.340 2.382 1.00 51.42 H new ATOM 0 HZ PHE A 31 18.994 -4.231 3.002 1.00 44.44 H new ATOM 454 N THR A 32 10.565 -3.613 3.484 1.00 50.04 N ATOM 455 CA THR A 32 9.154 -3.977 3.448 1.00 42.22 C ATOM 456 C THR A 32 8.891 -5.055 2.403 1.00 31.43 C ATOM 457 O THR A 32 8.031 -5.917 2.590 1.00 43.12 O ATOM 458 CB THR A 32 8.267 -2.755 3.143 1.00 35.41 C ATOM 459 OG1 THR A 32 8.602 -2.214 1.861 1.00 73.05 O ATOM 460 CG2 THR A 32 8.434 -1.685 4.211 1.00 42.23 C ATOM 0 H THR A 32 10.765 -2.667 3.159 1.00 50.04 H new ATOM 0 HA THR A 32 8.901 -4.363 4.436 1.00 42.22 H new ATOM 0 HB THR A 32 7.227 -3.081 3.138 1.00 35.41 H new ATOM 0 HG1 THR A 32 8.032 -1.439 1.674 1.00 73.05 H new ATOM 0 HG21 THR A 32 7.798 -0.832 3.974 1.00 42.23 H new ATOM 0 HG22 THR A 32 8.149 -2.092 5.181 1.00 42.23 H new ATOM 0 HG23 THR A 32 9.475 -1.363 4.244 1.00 42.23 H new ATOM 468 N ASP A 33 9.636 -5.003 1.305 1.00 52.33 N ATOM 469 CA ASP A 33 9.484 -5.977 0.230 1.00 31.14 C ATOM 470 C ASP A 33 10.320 -7.223 0.505 1.00 61.24 C ATOM 471 O ASP A 33 10.322 -8.167 -0.284 1.00 63.04 O ATOM 472 CB ASP A 33 9.890 -5.359 -1.108 1.00 63.55 C ATOM 473 CG ASP A 33 8.959 -5.758 -2.236 1.00 51.14 C ATOM 474 OD1 ASP A 33 8.802 -6.974 -2.475 1.00 41.25 O ATOM 475 OD2 ASP A 33 8.386 -4.854 -2.879 1.00 51.14 O ATOM 0 H ASP A 33 10.352 -4.296 1.135 1.00 52.33 H new ATOM 0 HA ASP A 33 8.435 -6.269 0.182 1.00 31.14 H new ATOM 0 HB2 ASP A 33 9.899 -4.273 -1.015 1.00 63.55 H new ATOM 0 HB3 ASP A 33 10.906 -5.667 -1.354 1.00 63.55 H new ATOM 480 N ASN A 34 11.030 -7.218 1.628 1.00 2.41 N ATOM 481 CA ASN A 34 11.872 -8.347 2.006 1.00 43.04 C ATOM 482 C ASN A 34 12.464 -8.143 3.397 1.00 61.00 C ATOM 483 O ASN A 34 13.481 -7.467 3.558 1.00 75.55 O ATOM 484 CB ASN A 34 12.996 -8.536 0.984 1.00 35.31 C ATOM 485 CG ASN A 34 12.817 -9.793 0.154 1.00 15.03 C ATOM 486 OD1 ASN A 34 11.715 -10.334 0.056 1.00 51.51 O ATOM 487 ND2 ASN A 34 13.903 -10.264 -0.447 1.00 74.14 N ATOM 0 H ASN A 34 11.039 -6.444 2.293 1.00 2.41 H new ATOM 0 HA ASN A 34 11.250 -9.242 2.023 1.00 43.04 H new ATOM 0 HB2 ASN A 34 13.032 -7.670 0.323 1.00 35.31 H new ATOM 0 HB3 ASN A 34 13.953 -8.580 1.504 1.00 35.31 H new ATOM 0 HD21 ASN A 34 13.845 -11.107 -1.018 1.00 74.14 H new ATOM 0 HD22 ASN A 34 14.796 -9.783 -0.338 1.00 74.14 H new ATOM 494 N SER A 35 11.821 -8.732 4.400 1.00 70.52 N ATOM 495 CA SER A 35 12.281 -8.613 5.778 1.00 24.23 C ATOM 496 C SER A 35 13.797 -8.766 5.860 1.00 42.11 C ATOM 497 O SER A 35 14.517 -7.799 6.104 1.00 1.23 O ATOM 498 CB SER A 35 11.603 -9.666 6.658 1.00 44.44 C ATOM 499 OG SER A 35 10.358 -9.197 7.145 1.00 31.30 O ATOM 0 H SER A 35 10.980 -9.297 4.284 1.00 70.52 H new ATOM 0 HA SER A 35 12.013 -7.620 6.139 1.00 24.23 H new ATOM 0 HB2 SER A 35 11.452 -10.581 6.085 1.00 44.44 H new ATOM 0 HB3 SER A 35 12.253 -9.918 7.496 1.00 44.44 H new ATOM 0 HG SER A 35 9.944 -9.888 7.703 1.00 31.30 H new ATOM 505 N ASN A 36 14.274 -9.989 5.653 1.00 24.12 N ATOM 506 CA ASN A 36 15.705 -10.270 5.704 1.00 75.33 C ATOM 507 C ASN A 36 16.259 -10.522 4.305 1.00 61.11 C ATOM 508 O ASN A 36 15.616 -11.168 3.478 1.00 73.02 O ATOM 509 CB ASN A 36 15.976 -11.482 6.598 1.00 50.31 C ATOM 510 CG ASN A 36 15.316 -12.744 6.077 1.00 0.03 C ATOM 511 OD1 ASN A 36 15.850 -13.419 5.197 1.00 73.01 O ATOM 512 ND2 ASN A 36 14.149 -13.068 6.621 1.00 74.32 N ATOM 0 H ASN A 36 13.692 -10.801 5.448 1.00 24.12 H new ATOM 0 HA ASN A 36 16.207 -9.398 6.123 1.00 75.33 H new ATOM 0 HB2 ASN A 36 17.052 -11.642 6.672 1.00 50.31 H new ATOM 0 HB3 ASN A 36 15.614 -11.275 7.605 1.00 50.31 H new ATOM 0 HD21 ASN A 36 13.658 -13.907 6.312 1.00 74.32 H new ATOM 0 HD22 ASN A 36 13.744 -12.478 7.348 1.00 74.32 H new ATOM 519 N SER A 37 17.458 -10.008 4.048 1.00 53.00 N ATOM 520 CA SER A 37 18.098 -10.174 2.749 1.00 62.15 C ATOM 521 C SER A 37 19.573 -10.529 2.911 1.00 1.33 C ATOM 522 O SER A 37 20.315 -9.840 3.613 1.00 74.51 O ATOM 523 CB SER A 37 17.958 -8.896 1.920 1.00 53.21 C ATOM 524 OG SER A 37 19.198 -8.219 1.812 1.00 20.00 O ATOM 0 H SER A 37 18.005 -9.473 4.723 1.00 53.00 H new ATOM 0 HA SER A 37 17.600 -10.992 2.229 1.00 62.15 H new ATOM 0 HB2 SER A 37 17.587 -9.143 0.925 1.00 53.21 H new ATOM 0 HB3 SER A 37 17.220 -8.239 2.381 1.00 53.21 H new ATOM 0 HG SER A 37 19.440 -7.838 2.682 1.00 20.00 H new ATOM 530 N ASP A 38 19.991 -11.607 2.258 1.00 62.10 N ATOM 531 CA ASP A 38 21.378 -12.054 2.328 1.00 35.13 C ATOM 532 C ASP A 38 22.209 -11.424 1.215 1.00 12.23 C ATOM 533 O ASP A 38 22.146 -11.851 0.062 1.00 30.53 O ATOM 534 CB ASP A 38 21.449 -13.579 2.234 1.00 5.05 C ATOM 535 CG ASP A 38 20.325 -14.259 2.990 1.00 74.24 C ATOM 536 OD1 ASP A 38 19.224 -14.396 2.417 1.00 73.04 O ATOM 537 OD2 ASP A 38 20.545 -14.654 4.154 1.00 71.10 O ATOM 0 H ASP A 38 19.390 -12.188 1.674 1.00 62.10 H new ATOM 0 HA ASP A 38 21.789 -11.737 3.287 1.00 35.13 H new ATOM 0 HB2 ASP A 38 21.411 -13.878 1.186 1.00 5.05 H new ATOM 0 HB3 ASP A 38 22.406 -13.920 2.628 1.00 5.05 H new ATOM 542 N ILE A 39 22.986 -10.405 1.568 1.00 35.23 N ATOM 543 CA ILE A 39 23.829 -9.716 0.599 1.00 32.52 C ATOM 544 C ILE A 39 23.050 -9.383 -0.668 1.00 53.14 C ATOM 545 O ILE A 39 23.620 -9.291 -1.756 1.00 23.11 O ATOM 546 CB ILE A 39 25.061 -10.561 0.224 1.00 74.41 C ATOM 547 CG1 ILE A 39 25.541 -11.367 1.433 1.00 42.04 C ATOM 548 CG2 ILE A 39 26.175 -9.669 -0.302 1.00 11.24 C ATOM 549 CD1 ILE A 39 24.957 -12.761 1.501 1.00 41.32 C ATOM 0 H ILE A 39 23.049 -10.039 2.518 1.00 35.23 H new ATOM 0 HA ILE A 39 24.162 -8.792 1.071 1.00 32.52 H new ATOM 0 HB ILE A 39 24.779 -11.259 -0.565 1.00 74.41 H new ATOM 0 HG12 ILE A 39 26.628 -11.438 1.403 1.00 42.04 H new ATOM 0 HG13 ILE A 39 25.282 -10.828 2.345 1.00 42.04 H new ATOM 0 HG21 ILE A 39 27.039 -10.281 -0.563 1.00 11.24 H new ATOM 0 HG22 ILE A 39 25.827 -9.136 -1.187 1.00 11.24 H new ATOM 0 HG23 ILE A 39 26.459 -8.950 0.466 1.00 11.24 H new ATOM 0 HD11 ILE A 39 25.341 -13.274 2.383 1.00 41.32 H new ATOM 0 HD12 ILE A 39 23.871 -12.698 1.563 1.00 41.32 H new ATOM 0 HD13 ILE A 39 25.238 -13.317 0.607 1.00 41.32 H new ATOM 561 N THR A 40 21.741 -9.200 -0.522 1.00 20.25 N ATOM 562 CA THR A 40 20.883 -8.876 -1.654 1.00 13.22 C ATOM 563 C THR A 40 21.311 -7.569 -2.312 1.00 21.21 C ATOM 564 O THR A 40 21.105 -7.369 -3.509 1.00 60.41 O ATOM 565 CB THR A 40 19.407 -8.762 -1.226 1.00 23.20 C ATOM 566 OG1 THR A 40 18.954 -10.012 -0.695 1.00 75.43 O ATOM 567 CG2 THR A 40 18.532 -8.357 -2.403 1.00 23.44 C ATOM 0 H THR A 40 21.252 -9.271 0.370 1.00 20.25 H new ATOM 0 HA THR A 40 20.984 -9.691 -2.371 1.00 13.22 H new ATOM 0 HB THR A 40 19.332 -7.993 -0.457 1.00 23.20 H new ATOM 0 HG1 THR A 40 18.040 -10.186 -1.002 1.00 75.43 H new ATOM 0 HG21 THR A 40 17.495 -8.283 -2.077 1.00 23.44 H new ATOM 0 HG22 THR A 40 18.862 -7.391 -2.786 1.00 23.44 H new ATOM 0 HG23 THR A 40 18.612 -9.106 -3.191 1.00 23.44 H new ATOM 575 N ASP A 41 21.908 -6.683 -1.523 1.00 25.01 N ATOM 576 CA ASP A 41 22.368 -5.395 -2.030 1.00 20.20 C ATOM 577 C ASP A 41 23.813 -5.484 -2.510 1.00 24.53 C ATOM 578 O ASP A 41 24.419 -4.477 -2.874 1.00 22.05 O ATOM 579 CB ASP A 41 22.242 -4.322 -0.947 1.00 63.41 C ATOM 580 CG ASP A 41 20.999 -4.499 -0.099 1.00 35.35 C ATOM 581 OD1 ASP A 41 21.040 -5.307 0.853 1.00 51.21 O ATOM 582 OD2 ASP A 41 19.983 -3.831 -0.386 1.00 44.14 O ATOM 0 H ASP A 41 22.085 -6.833 -0.530 1.00 25.01 H new ATOM 0 HA ASP A 41 21.739 -5.121 -2.877 1.00 20.20 H new ATOM 0 HB2 ASP A 41 23.123 -4.352 -0.306 1.00 63.41 H new ATOM 0 HB3 ASP A 41 22.222 -3.338 -1.415 1.00 63.41 H new ATOM 587 N GLN A 42 24.359 -6.696 -2.506 1.00 30.50 N ATOM 588 CA GLN A 42 25.734 -6.916 -2.939 1.00 72.02 C ATOM 589 C GLN A 42 26.701 -6.050 -2.140 1.00 4.24 C ATOM 590 O GLN A 42 27.300 -5.115 -2.672 1.00 73.04 O ATOM 591 CB GLN A 42 25.875 -6.614 -4.432 1.00 72.21 C ATOM 592 CG GLN A 42 27.048 -7.324 -5.088 1.00 42.01 C ATOM 593 CD GLN A 42 27.749 -6.462 -6.120 1.00 10.03 C ATOM 594 OE1 GLN A 42 27.924 -5.259 -5.925 1.00 13.22 O ATOM 595 NE2 GLN A 42 28.155 -7.074 -7.226 1.00 22.33 N ATOM 0 H GLN A 42 23.870 -7.540 -2.208 1.00 30.50 H new ATOM 0 HA GLN A 42 25.981 -7.963 -2.762 1.00 72.02 H new ATOM 0 HB2 GLN A 42 24.955 -6.903 -4.941 1.00 72.21 H new ATOM 0 HB3 GLN A 42 25.990 -5.539 -4.567 1.00 72.21 H new ATOM 0 HG2 GLN A 42 27.764 -7.620 -4.321 1.00 42.01 H new ATOM 0 HG3 GLN A 42 26.694 -8.239 -5.564 1.00 42.01 H new ATOM 0 HE21 GLN A 42 27.989 -8.073 -7.346 1.00 22.33 H new ATOM 0 HE22 GLN A 42 28.633 -6.545 -7.956 1.00 22.33 H new ATOM 604 N VAL A 43 26.850 -6.366 -0.857 1.00 62.42 N ATOM 605 CA VAL A 43 27.746 -5.617 0.016 1.00 31.52 C ATOM 606 C VAL A 43 29.152 -5.546 -0.569 1.00 53.02 C ATOM 607 O VAL A 43 29.705 -6.554 -1.010 1.00 4.12 O ATOM 608 CB VAL A 43 27.818 -6.248 1.420 1.00 54.51 C ATOM 609 CG1 VAL A 43 28.427 -7.639 1.350 1.00 23.31 C ATOM 610 CG2 VAL A 43 28.610 -5.356 2.364 1.00 43.03 C ATOM 0 H VAL A 43 26.362 -7.136 -0.399 1.00 62.42 H new ATOM 0 HA VAL A 43 27.339 -4.609 0.098 1.00 31.52 H new ATOM 0 HB VAL A 43 26.805 -6.342 1.810 1.00 54.51 H new ATOM 0 HG11 VAL A 43 28.470 -8.068 2.351 1.00 23.31 H new ATOM 0 HG12 VAL A 43 27.814 -8.273 0.709 1.00 23.31 H new ATOM 0 HG13 VAL A 43 29.435 -7.575 0.940 1.00 23.31 H new ATOM 0 HG21 VAL A 43 28.651 -5.817 3.351 1.00 43.03 H new ATOM 0 HG22 VAL A 43 29.622 -5.229 1.981 1.00 43.03 H new ATOM 0 HG23 VAL A 43 28.125 -4.383 2.438 1.00 43.03 H new ATOM 620 N THR A 44 29.726 -4.347 -0.571 1.00 10.12 N ATOM 621 CA THR A 44 31.067 -4.143 -1.103 1.00 5.34 C ATOM 622 C THR A 44 32.112 -4.190 0.007 1.00 53.41 C ATOM 623 O THR A 44 32.154 -3.313 0.870 1.00 51.53 O ATOM 624 CB THR A 44 31.180 -2.796 -1.841 1.00 51.23 C ATOM 625 OG1 THR A 44 30.059 -2.621 -2.715 1.00 13.13 O ATOM 626 CG2 THR A 44 32.470 -2.725 -2.644 1.00 3.21 C ATOM 0 H THR A 44 29.283 -3.502 -0.210 1.00 10.12 H new ATOM 0 HA THR A 44 31.253 -4.952 -1.809 1.00 5.34 H new ATOM 0 HB THR A 44 31.189 -1.999 -1.097 1.00 51.23 H new ATOM 0 HG1 THR A 44 30.137 -1.762 -3.179 1.00 13.13 H new ATOM 0 HG21 THR A 44 32.527 -1.765 -3.156 1.00 3.21 H new ATOM 0 HG22 THR A 44 33.323 -2.830 -1.973 1.00 3.21 H new ATOM 0 HG23 THR A 44 32.486 -3.530 -3.379 1.00 3.21 H new ATOM 634 N TRP A 45 32.953 -5.217 -0.022 1.00 33.00 N ATOM 635 CA TRP A 45 33.998 -5.377 0.982 1.00 23.13 C ATOM 636 C TRP A 45 35.354 -4.951 0.429 1.00 32.33 C ATOM 637 O TRP A 45 35.613 -5.075 -0.768 1.00 31.52 O ATOM 638 CB TRP A 45 34.060 -6.830 1.456 1.00 5.14 C ATOM 639 CG TRP A 45 34.138 -7.819 0.333 1.00 41.33 C ATOM 640 CD1 TRP A 45 33.111 -8.556 -0.183 1.00 34.25 C ATOM 641 CD2 TRP A 45 35.306 -8.179 -0.413 1.00 2.23 C ATOM 642 NE1 TRP A 45 33.570 -9.353 -1.203 1.00 73.14 N ATOM 643 CE2 TRP A 45 34.913 -9.140 -1.365 1.00 0.41 C ATOM 644 CE3 TRP A 45 36.645 -7.782 -0.370 1.00 44.21 C ATOM 645 CZ2 TRP A 45 35.812 -9.708 -2.263 1.00 40.14 C ATOM 646 CZ3 TRP A 45 37.536 -8.347 -1.262 1.00 64.04 C ATOM 647 CH2 TRP A 45 37.117 -9.301 -2.199 1.00 51.12 C ATOM 0 H TRP A 45 32.932 -5.951 -0.730 1.00 33.00 H new ATOM 0 HA TRP A 45 33.755 -4.736 1.829 1.00 23.13 H new ATOM 0 HB2 TRP A 45 34.928 -6.957 2.103 1.00 5.14 H new ATOM 0 HB3 TRP A 45 33.178 -7.046 2.060 1.00 5.14 H new ATOM 0 HD1 TRP A 45 32.088 -8.518 0.161 1.00 34.25 H new ATOM 0 HE1 TRP A 45 33.002 -9.999 -1.751 1.00 73.14 H new ATOM 0 HE3 TRP A 45 36.978 -7.047 0.348 1.00 44.21 H new ATOM 0 HZ2 TRP A 45 35.491 -10.444 -2.985 1.00 40.14 H new ATOM 0 HZ3 TRP A 45 38.574 -8.048 -1.237 1.00 64.04 H new ATOM 0 HH2 TRP A 45 37.838 -9.723 -2.884 1.00 51.12 H new ATOM 658 N ASP A 46 36.215 -4.450 1.308 1.00 50.55 N ATOM 659 CA ASP A 46 37.545 -4.007 0.907 1.00 43.44 C ATOM 660 C ASP A 46 38.534 -4.142 2.060 1.00 11.15 C ATOM 661 O ASP A 46 38.176 -3.954 3.223 1.00 12.40 O ATOM 662 CB ASP A 46 37.499 -2.555 0.425 1.00 25.54 C ATOM 663 CG ASP A 46 37.657 -2.439 -1.078 1.00 11.21 C ATOM 664 OD1 ASP A 46 36.633 -2.512 -1.790 1.00 0.34 O ATOM 665 OD2 ASP A 46 38.804 -2.274 -1.543 1.00 11.42 O ATOM 0 H ASP A 46 36.016 -4.341 2.302 1.00 50.55 H new ATOM 0 HA ASP A 46 37.881 -4.643 0.088 1.00 43.44 H new ATOM 0 HB2 ASP A 46 36.552 -2.106 0.724 1.00 25.54 H new ATOM 0 HB3 ASP A 46 38.290 -1.987 0.915 1.00 25.54 H new ATOM 670 N SER A 47 39.779 -4.471 1.731 1.00 51.40 N ATOM 671 CA SER A 47 40.818 -4.636 2.740 1.00 24.12 C ATOM 672 C SER A 47 42.012 -3.732 2.444 1.00 35.54 C ATOM 673 O SER A 47 42.285 -3.405 1.290 1.00 62.12 O ATOM 674 CB SER A 47 41.272 -6.096 2.800 1.00 3.15 C ATOM 675 OG SER A 47 41.148 -6.615 4.113 1.00 13.12 O ATOM 0 H SER A 47 40.093 -4.629 0.773 1.00 51.40 H new ATOM 0 HA SER A 47 40.400 -4.352 3.706 1.00 24.12 H new ATOM 0 HB2 SER A 47 40.675 -6.694 2.111 1.00 3.15 H new ATOM 0 HB3 SER A 47 42.309 -6.172 2.472 1.00 3.15 H new ATOM 0 HG SER A 47 40.813 -7.535 4.071 1.00 13.12 H new ATOM 681 N SER A 48 42.718 -3.333 3.497 1.00 43.22 N ATOM 682 CA SER A 48 43.880 -2.464 3.352 1.00 42.31 C ATOM 683 C SER A 48 45.158 -3.285 3.204 1.00 14.31 C ATOM 684 O SER A 48 45.109 -4.499 3.015 1.00 63.32 O ATOM 685 CB SER A 48 43.998 -1.529 4.557 1.00 11.12 C ATOM 686 OG SER A 48 44.343 -0.216 4.152 1.00 4.43 O ATOM 0 H SER A 48 42.506 -3.597 4.459 1.00 43.22 H new ATOM 0 HA SER A 48 43.746 -1.867 2.450 1.00 42.31 H new ATOM 0 HB2 SER A 48 43.053 -1.509 5.100 1.00 11.12 H new ATOM 0 HB3 SER A 48 44.752 -1.911 5.245 1.00 11.12 H new ATOM 0 HG SER A 48 44.411 0.362 4.940 1.00 4.43 H new ATOM 692 N ASN A 49 46.300 -2.611 3.292 1.00 30.00 N ATOM 693 CA ASN A 49 47.592 -3.277 3.168 1.00 55.04 C ATOM 694 C ASN A 49 47.721 -3.963 1.811 1.00 45.20 C ATOM 695 O ASN A 49 46.817 -3.894 0.978 1.00 11.11 O ATOM 696 CB ASN A 49 47.770 -4.302 4.289 1.00 22.21 C ATOM 697 CG ASN A 49 48.704 -3.811 5.378 1.00 0.23 C ATOM 698 OD1 ASN A 49 48.275 -3.166 6.335 1.00 52.41 O ATOM 699 ND2 ASN A 49 49.989 -4.115 5.237 1.00 0.42 N ATOM 0 H ASN A 49 46.357 -1.605 3.449 1.00 30.00 H new ATOM 0 HA ASN A 49 48.373 -2.521 3.249 1.00 55.04 H new ATOM 0 HB2 ASN A 49 46.798 -4.533 4.725 1.00 22.21 H new ATOM 0 HB3 ASN A 49 48.160 -5.230 3.871 1.00 22.21 H new ATOM 0 HD21 ASN A 49 50.665 -3.812 5.938 1.00 0.42 H new ATOM 0 HD22 ASN A 49 50.300 -4.652 4.427 1.00 0.42 H new ATOM 706 N THR A 50 48.853 -4.626 1.595 1.00 5.30 N ATOM 707 CA THR A 50 49.103 -5.324 0.340 1.00 11.23 C ATOM 708 C THR A 50 49.840 -6.636 0.579 1.00 64.55 C ATOM 709 O THR A 50 50.483 -7.171 -0.325 1.00 71.42 O ATOM 710 CB THR A 50 49.924 -4.456 -0.632 1.00 2.12 C ATOM 711 OG1 THR A 50 49.855 -3.081 -0.239 1.00 13.40 O ATOM 712 CG2 THR A 50 49.413 -4.608 -2.057 1.00 4.03 C ATOM 0 H THR A 50 49.612 -4.694 2.274 1.00 5.30 H new ATOM 0 HA THR A 50 48.130 -5.533 -0.105 1.00 11.23 H new ATOM 0 HB THR A 50 50.960 -4.792 -0.597 1.00 2.12 H new ATOM 0 HG1 THR A 50 50.381 -2.536 -0.861 1.00 13.40 H new ATOM 0 HG21 THR A 50 50.008 -3.986 -2.725 1.00 4.03 H new ATOM 0 HG22 THR A 50 49.495 -5.651 -2.364 1.00 4.03 H new ATOM 0 HG23 THR A 50 48.370 -4.297 -2.105 1.00 4.03 H new ATOM 720 N ASP A 51 49.743 -7.151 1.799 1.00 3.14 N ATOM 721 CA ASP A 51 50.400 -8.403 2.156 1.00 22.10 C ATOM 722 C ASP A 51 49.498 -9.595 1.852 1.00 24.53 C ATOM 723 O ASP A 51 49.714 -10.317 0.878 1.00 40.54 O ATOM 724 CB ASP A 51 50.781 -8.400 3.637 1.00 21.13 C ATOM 725 CG ASP A 51 52.261 -8.150 3.854 1.00 35.02 C ATOM 726 OD1 ASP A 51 52.671 -6.971 3.840 1.00 13.22 O ATOM 727 OD2 ASP A 51 53.008 -9.134 4.037 1.00 44.40 O ATOM 0 H ASP A 51 49.215 -6.721 2.558 1.00 3.14 H new ATOM 0 HA ASP A 51 51.306 -8.493 1.557 1.00 22.10 H new ATOM 0 HB2 ASP A 51 50.206 -7.633 4.155 1.00 21.13 H new ATOM 0 HB3 ASP A 51 50.508 -9.357 4.081 1.00 21.13 H new ATOM 732 N ILE A 52 48.490 -9.797 2.693 1.00 34.11 N ATOM 733 CA ILE A 52 47.556 -10.902 2.514 1.00 12.11 C ATOM 734 C ILE A 52 46.231 -10.621 3.216 1.00 62.24 C ATOM 735 O ILE A 52 46.043 -10.981 4.379 1.00 64.15 O ATOM 736 CB ILE A 52 48.138 -12.223 3.050 1.00 73.30 C ATOM 737 CG1 ILE A 52 47.068 -13.317 3.041 1.00 22.53 C ATOM 738 CG2 ILE A 52 48.692 -12.028 4.453 1.00 14.43 C ATOM 739 CD1 ILE A 52 47.631 -14.711 2.869 1.00 32.01 C ATOM 0 H ILE A 52 48.299 -9.210 3.505 1.00 34.11 H new ATOM 0 HA ILE A 52 47.383 -10.999 1.442 1.00 12.11 H new ATOM 0 HB ILE A 52 48.955 -12.534 2.399 1.00 73.30 H new ATOM 0 HG12 ILE A 52 46.507 -13.273 3.974 1.00 22.53 H new ATOM 0 HG13 ILE A 52 46.362 -13.117 2.235 1.00 22.53 H new ATOM 0 HG21 ILE A 52 49.100 -12.971 4.818 1.00 14.43 H new ATOM 0 HG22 ILE A 52 49.481 -11.276 4.431 1.00 14.43 H new ATOM 0 HG23 ILE A 52 47.893 -11.697 5.117 1.00 14.43 H new ATOM 0 HD11 ILE A 52 46.816 -15.435 2.872 1.00 32.01 H new ATOM 0 HD12 ILE A 52 48.168 -14.772 1.922 1.00 32.01 H new ATOM 0 HD13 ILE A 52 48.315 -14.931 3.689 1.00 32.01 H new ATOM 751 N LEU A 53 45.314 -9.978 2.501 1.00 65.10 N ATOM 752 CA LEU A 53 44.005 -9.650 3.054 1.00 72.32 C ATOM 753 C LEU A 53 42.889 -10.216 2.182 1.00 35.51 C ATOM 754 O LEU A 53 42.851 -9.982 0.974 1.00 23.42 O ATOM 755 CB LEU A 53 43.848 -8.134 3.182 1.00 63.03 C ATOM 756 CG LEU A 53 45.007 -7.394 3.851 1.00 14.24 C ATOM 757 CD1 LEU A 53 45.491 -8.156 5.075 1.00 62.32 C ATOM 758 CD2 LEU A 53 46.147 -7.184 2.866 1.00 54.15 C ATOM 0 H LEU A 53 45.453 -9.674 1.537 1.00 65.10 H new ATOM 0 HA LEU A 53 43.933 -10.101 4.044 1.00 72.32 H new ATOM 0 HB2 LEU A 53 43.705 -7.718 2.185 1.00 63.03 H new ATOM 0 HB3 LEU A 53 42.938 -7.929 3.746 1.00 63.03 H new ATOM 0 HG LEU A 53 44.649 -6.416 4.174 1.00 14.24 H new ATOM 0 HD11 LEU A 53 46.316 -7.614 5.538 1.00 62.32 H new ATOM 0 HD12 LEU A 53 44.674 -8.253 5.790 1.00 62.32 H new ATOM 0 HD13 LEU A 53 45.831 -9.148 4.776 1.00 62.32 H new ATOM 0 HD21 LEU A 53 46.962 -6.656 3.360 1.00 54.15 H new ATOM 0 HD22 LEU A 53 46.504 -8.151 2.511 1.00 54.15 H new ATOM 0 HD23 LEU A 53 45.793 -6.595 2.020 1.00 54.15 H new ATOM 770 N SER A 54 41.979 -10.961 2.803 1.00 3.23 N ATOM 771 CA SER A 54 40.862 -11.562 2.084 1.00 43.21 C ATOM 772 C SER A 54 39.567 -11.423 2.878 1.00 21.52 C ATOM 773 O SER A 54 39.459 -11.918 4.001 1.00 40.21 O ATOM 774 CB SER A 54 41.145 -13.039 1.802 1.00 44.55 C ATOM 775 OG SER A 54 42.023 -13.188 0.699 1.00 55.24 O ATOM 0 H SER A 54 41.994 -11.163 3.803 1.00 3.23 H new ATOM 0 HA SER A 54 40.745 -11.035 1.137 1.00 43.21 H new ATOM 0 HB2 SER A 54 41.583 -13.504 2.685 1.00 44.55 H new ATOM 0 HB3 SER A 54 40.209 -13.560 1.599 1.00 44.55 H new ATOM 0 HG SER A 54 42.190 -14.141 0.540 1.00 55.24 H new ATOM 781 N ILE A 55 38.587 -10.748 2.287 1.00 4.02 N ATOM 782 CA ILE A 55 37.299 -10.545 2.938 1.00 21.12 C ATOM 783 C ILE A 55 36.179 -11.235 2.168 1.00 71.35 C ATOM 784 O ILE A 55 36.033 -11.044 0.960 1.00 30.53 O ATOM 785 CB ILE A 55 36.967 -9.047 3.074 1.00 74.41 C ATOM 786 CG1 ILE A 55 38.171 -8.283 3.628 1.00 70.34 C ATOM 787 CG2 ILE A 55 35.752 -8.854 3.969 1.00 1.54 C ATOM 788 CD1 ILE A 55 37.940 -6.793 3.744 1.00 53.03 C ATOM 0 H ILE A 55 38.661 -10.332 1.358 1.00 4.02 H new ATOM 0 HA ILE A 55 37.376 -10.983 3.933 1.00 21.12 H new ATOM 0 HB ILE A 55 36.733 -8.650 2.086 1.00 74.41 H new ATOM 0 HG12 ILE A 55 38.423 -8.681 4.611 1.00 70.34 H new ATOM 0 HG13 ILE A 55 39.031 -8.460 2.983 1.00 70.34 H new ATOM 0 HG21 ILE A 55 35.529 -7.791 4.056 1.00 1.54 H new ATOM 0 HG22 ILE A 55 34.895 -9.370 3.536 1.00 1.54 H new ATOM 0 HG23 ILE A 55 35.960 -9.263 4.958 1.00 1.54 H new ATOM 0 HD11 ILE A 55 38.835 -6.316 4.143 1.00 53.03 H new ATOM 0 HD12 ILE A 55 37.718 -6.381 2.759 1.00 53.03 H new ATOM 0 HD13 ILE A 55 37.100 -6.606 4.413 1.00 53.03 H new ATOM 800 N SER A 56 35.389 -12.037 2.874 1.00 33.12 N ATOM 801 CA SER A 56 34.282 -12.758 2.256 1.00 12.14 C ATOM 802 C SER A 56 32.966 -12.438 2.959 1.00 72.21 C ATOM 803 O SER A 56 32.837 -12.615 4.170 1.00 42.54 O ATOM 804 CB SER A 56 34.541 -14.265 2.296 1.00 23.13 C ATOM 805 OG SER A 56 34.579 -14.811 0.989 1.00 34.01 O ATOM 0 H SER A 56 35.495 -12.204 3.875 1.00 33.12 H new ATOM 0 HA SER A 56 34.207 -12.437 1.217 1.00 12.14 H new ATOM 0 HB2 SER A 56 35.486 -14.461 2.803 1.00 23.13 H new ATOM 0 HB3 SER A 56 33.760 -14.756 2.876 1.00 23.13 H new ATOM 0 HG SER A 56 34.748 -15.775 1.042 1.00 34.01 H new ATOM 811 N ASN A 57 31.991 -11.967 2.189 1.00 54.42 N ATOM 812 CA ASN A 57 30.684 -11.621 2.736 1.00 33.13 C ATOM 813 C ASN A 57 29.577 -11.907 1.725 1.00 25.34 C ATOM 814 O ASN A 57 28.850 -11.004 1.314 1.00 33.31 O ATOM 815 CB ASN A 57 30.651 -10.146 3.141 1.00 51.11 C ATOM 816 CG ASN A 57 32.008 -9.639 3.588 1.00 4.31 C ATOM 817 OD1 ASN A 57 32.918 -9.470 2.776 1.00 5.25 O ATOM 818 ND2 ASN A 57 32.150 -9.394 4.886 1.00 42.45 N ATOM 0 H ASN A 57 32.081 -11.816 1.184 1.00 54.42 H new ATOM 0 HA ASN A 57 30.514 -12.237 3.619 1.00 33.13 H new ATOM 0 HB2 ASN A 57 30.302 -9.548 2.299 1.00 51.11 H new ATOM 0 HB3 ASN A 57 29.931 -10.010 3.948 1.00 51.11 H new ATOM 0 HD21 ASN A 57 33.041 -9.051 5.246 1.00 42.45 H new ATOM 0 HD22 ASN A 57 31.368 -9.549 5.523 1.00 42.45 H new ATOM 825 N ALA A 58 29.457 -13.170 1.330 1.00 62.41 N ATOM 826 CA ALA A 58 28.439 -13.577 0.370 1.00 54.54 C ATOM 827 C ALA A 58 27.919 -14.976 0.679 1.00 22.43 C ATOM 828 O ALA A 58 27.234 -15.590 -0.139 1.00 44.11 O ATOM 829 CB ALA A 58 28.994 -13.519 -1.046 1.00 4.24 C ATOM 0 H ALA A 58 30.053 -13.929 1.660 1.00 62.41 H new ATOM 0 HA ALA A 58 27.603 -12.882 0.450 1.00 54.54 H new ATOM 0 HB1 ALA A 58 28.222 -13.826 -1.752 1.00 4.24 H new ATOM 0 HB2 ALA A 58 29.308 -12.500 -1.272 1.00 4.24 H new ATOM 0 HB3 ALA A 58 29.849 -14.190 -1.129 1.00 4.24 H new ATOM 835 N SER A 59 28.250 -15.476 1.866 1.00 61.34 N ATOM 836 CA SER A 59 27.821 -16.806 2.281 1.00 35.44 C ATOM 837 C SER A 59 26.388 -16.775 2.806 1.00 23.33 C ATOM 838 O SER A 59 25.569 -17.626 2.458 1.00 24.24 O ATOM 839 CB SER A 59 28.759 -17.355 3.358 1.00 14.02 C ATOM 840 OG SER A 59 29.717 -18.236 2.799 1.00 43.13 O ATOM 0 H SER A 59 28.814 -14.980 2.556 1.00 61.34 H new ATOM 0 HA SER A 59 27.857 -17.461 1.410 1.00 35.44 H new ATOM 0 HB2 SER A 59 29.267 -16.530 3.857 1.00 14.02 H new ATOM 0 HB3 SER A 59 28.179 -17.879 4.118 1.00 14.02 H new ATOM 0 HG SER A 59 30.305 -18.572 3.507 1.00 43.13 H new ATOM 846 N ASP A 60 26.094 -15.789 3.646 1.00 41.33 N ATOM 847 CA ASP A 60 24.761 -15.645 4.219 1.00 11.50 C ATOM 848 C ASP A 60 24.759 -14.606 5.336 1.00 2.41 C ATOM 849 O ASP A 60 24.688 -14.949 6.516 1.00 11.41 O ATOM 850 CB ASP A 60 24.265 -16.988 4.755 1.00 71.53 C ATOM 851 CG ASP A 60 23.158 -17.579 3.903 1.00 45.43 C ATOM 852 OD1 ASP A 60 23.043 -17.183 2.724 1.00 14.22 O ATOM 853 OD2 ASP A 60 22.408 -18.436 4.415 1.00 52.43 O ATOM 0 H ASP A 60 26.761 -15.078 3.945 1.00 41.33 H new ATOM 0 HA ASP A 60 24.089 -15.307 3.431 1.00 11.50 H new ATOM 0 HB2 ASP A 60 25.099 -17.689 4.799 1.00 71.53 H new ATOM 0 HB3 ASP A 60 23.904 -16.858 5.775 1.00 71.53 H new ATOM 858 N SER A 61 24.839 -13.335 4.955 1.00 3.44 N ATOM 859 CA SER A 61 24.852 -12.246 5.925 1.00 11.41 C ATOM 860 C SER A 61 26.189 -12.186 6.658 1.00 72.22 C ATOM 861 O SER A 61 26.886 -11.172 6.621 1.00 52.43 O ATOM 862 CB SER A 61 23.713 -12.418 6.932 1.00 51.32 C ATOM 863 OG SER A 61 24.211 -12.509 8.255 1.00 3.32 O ATOM 0 H SER A 61 24.896 -13.034 3.982 1.00 3.44 H new ATOM 0 HA SER A 61 24.712 -11.310 5.384 1.00 11.41 H new ATOM 0 HB2 SER A 61 23.026 -11.575 6.856 1.00 51.32 H new ATOM 0 HB3 SER A 61 23.144 -13.316 6.692 1.00 51.32 H new ATOM 0 HG SER A 61 23.463 -12.617 8.879 1.00 3.32 H new ATOM 869 N HIS A 62 26.541 -13.281 7.324 1.00 34.40 N ATOM 870 CA HIS A 62 27.794 -13.355 8.066 1.00 63.42 C ATOM 871 C HIS A 62 28.968 -12.922 7.193 1.00 2.42 C ATOM 872 O HIS A 62 29.048 -13.281 6.019 1.00 11.42 O ATOM 873 CB HIS A 62 28.024 -14.777 8.580 1.00 11.10 C ATOM 874 CG HIS A 62 29.439 -15.043 8.993 1.00 72.33 C ATOM 875 ND1 HIS A 62 30.256 -15.942 8.341 1.00 64.23 N ATOM 876 CD2 HIS A 62 30.181 -14.522 9.997 1.00 2.40 C ATOM 877 CE1 HIS A 62 31.440 -15.963 8.927 1.00 31.13 C ATOM 878 NE2 HIS A 62 31.421 -15.110 9.935 1.00 13.40 N ATOM 0 H HIS A 62 25.976 -14.129 7.365 1.00 34.40 H new ATOM 0 HA HIS A 62 27.725 -12.676 8.916 1.00 63.42 H new ATOM 0 HB2 HIS A 62 27.366 -14.958 9.430 1.00 11.10 H new ATOM 0 HB3 HIS A 62 27.742 -15.486 7.802 1.00 11.10 H new ATOM 0 HD1 HIS A 62 29.988 -16.503 7.532 1.00 64.23 H new ATOM 0 HD2 HIS A 62 29.858 -13.781 10.714 1.00 2.40 H new ATOM 0 HE1 HIS A 62 32.280 -16.574 8.632 1.00 31.13 H new ATOM 886 N GLY A 63 29.878 -12.146 7.776 1.00 53.13 N ATOM 887 CA GLY A 63 31.034 -11.675 7.036 1.00 24.24 C ATOM 888 C GLY A 63 32.338 -12.202 7.603 1.00 41.41 C ATOM 889 O GLY A 63 32.768 -11.787 8.680 1.00 0.11 O ATOM 0 H GLY A 63 29.835 -11.836 8.747 1.00 53.13 H new ATOM 0 HA2 GLY A 63 30.944 -11.981 5.994 1.00 24.24 H new ATOM 0 HA3 GLY A 63 31.050 -10.585 7.048 1.00 24.24 H new ATOM 893 N LEU A 64 32.969 -13.119 6.878 1.00 51.44 N ATOM 894 CA LEU A 64 34.231 -13.704 7.315 1.00 64.31 C ATOM 895 C LEU A 64 35.416 -12.904 6.784 1.00 40.35 C ATOM 896 O LEU A 64 35.736 -12.963 5.597 1.00 71.43 O ATOM 897 CB LEU A 64 34.332 -15.157 6.846 1.00 14.04 C ATOM 898 CG LEU A 64 34.148 -15.393 5.347 1.00 53.22 C ATOM 899 CD1 LEU A 64 35.350 -16.124 4.770 1.00 32.31 C ATOM 900 CD2 LEU A 64 32.869 -16.174 5.083 1.00 53.13 C ATOM 0 H LEU A 64 32.627 -13.473 5.985 1.00 51.44 H new ATOM 0 HA LEU A 64 34.257 -13.677 8.404 1.00 64.31 H new ATOM 0 HB2 LEU A 64 35.308 -15.545 7.137 1.00 14.04 H new ATOM 0 HB3 LEU A 64 33.584 -15.743 7.380 1.00 14.04 H new ATOM 0 HG LEU A 64 34.067 -14.424 4.854 1.00 53.22 H new ATOM 0 HD11 LEU A 64 35.201 -16.283 3.702 1.00 32.31 H new ATOM 0 HD12 LEU A 64 36.248 -15.527 4.926 1.00 32.31 H new ATOM 0 HD13 LEU A 64 35.464 -17.087 5.268 1.00 32.31 H new ATOM 0 HD21 LEU A 64 32.754 -16.333 4.011 1.00 53.13 H new ATOM 0 HD22 LEU A 64 32.920 -17.138 5.589 1.00 53.13 H new ATOM 0 HD23 LEU A 64 32.015 -15.611 5.460 1.00 53.13 H new ATOM 912 N ALA A 65 36.065 -12.157 7.671 1.00 15.30 N ATOM 913 CA ALA A 65 37.216 -11.348 7.292 1.00 4.24 C ATOM 914 C ALA A 65 38.511 -11.952 7.826 1.00 71.12 C ATOM 915 O ALA A 65 38.723 -12.019 9.036 1.00 4.45 O ATOM 916 CB ALA A 65 37.050 -9.922 7.798 1.00 75.51 C ATOM 0 H ALA A 65 35.813 -12.096 8.657 1.00 15.30 H new ATOM 0 HA ALA A 65 37.274 -11.331 6.204 1.00 4.24 H new ATOM 0 HB1 ALA A 65 37.917 -9.329 7.507 1.00 75.51 H new ATOM 0 HB2 ALA A 65 36.150 -9.485 7.365 1.00 75.51 H new ATOM 0 HB3 ALA A 65 36.963 -9.929 8.885 1.00 75.51 H new ATOM 922 N SER A 66 39.373 -12.392 6.915 1.00 73.24 N ATOM 923 CA SER A 66 40.645 -12.996 7.294 1.00 12.41 C ATOM 924 C SER A 66 41.814 -12.117 6.860 1.00 51.31 C ATOM 925 O SER A 66 41.902 -11.706 5.702 1.00 13.02 O ATOM 926 CB SER A 66 40.779 -14.387 6.672 1.00 43.21 C ATOM 927 OG SER A 66 41.163 -14.302 5.310 1.00 11.44 O ATOM 0 H SER A 66 39.214 -12.341 5.909 1.00 73.24 H new ATOM 0 HA SER A 66 40.666 -13.088 8.380 1.00 12.41 H new ATOM 0 HB2 SER A 66 41.517 -14.967 7.226 1.00 43.21 H new ATOM 0 HB3 SER A 66 39.831 -14.918 6.753 1.00 43.21 H new ATOM 0 HG SER A 66 41.381 -13.373 5.089 1.00 11.44 H new ATOM 933 N THR A 67 42.712 -11.831 7.798 1.00 72.11 N ATOM 934 CA THR A 67 43.875 -11.000 7.515 1.00 63.54 C ATOM 935 C THR A 67 45.102 -11.495 8.273 1.00 14.21 C ATOM 936 O THR A 67 44.982 -12.122 9.326 1.00 32.33 O ATOM 937 CB THR A 67 43.617 -9.527 7.883 1.00 20.33 C ATOM 938 OG1 THR A 67 44.841 -8.787 7.829 1.00 44.21 O ATOM 939 CG2 THR A 67 43.012 -9.416 9.275 1.00 43.34 C ATOM 0 H THR A 67 42.656 -12.163 8.761 1.00 72.11 H new ATOM 0 HA THR A 67 44.060 -11.071 6.443 1.00 63.54 H new ATOM 0 HB THR A 67 42.911 -9.113 7.163 1.00 20.33 H new ATOM 0 HG1 THR A 67 44.668 -7.851 8.063 1.00 44.21 H new ATOM 0 HG21 THR A 67 42.838 -8.367 9.514 1.00 43.34 H new ATOM 0 HG22 THR A 67 42.066 -9.956 9.305 1.00 43.34 H new ATOM 0 HG23 THR A 67 43.698 -9.845 10.005 1.00 43.34 H new ATOM 947 N LEU A 68 46.281 -11.208 7.733 1.00 72.23 N ATOM 948 CA LEU A 68 47.531 -11.623 8.360 1.00 71.43 C ATOM 949 C LEU A 68 48.689 -10.743 7.901 1.00 12.31 C ATOM 950 O LEU A 68 49.510 -11.156 7.084 1.00 24.43 O ATOM 951 CB LEU A 68 47.828 -13.088 8.031 1.00 54.41 C ATOM 952 CG LEU A 68 48.774 -13.812 8.989 1.00 70.12 C ATOM 953 CD1 LEU A 68 48.544 -15.314 8.932 1.00 32.31 C ATOM 954 CD2 LEU A 68 50.222 -13.480 8.661 1.00 43.24 C ATOM 0 H LEU A 68 46.398 -10.690 6.862 1.00 72.23 H new ATOM 0 HA LEU A 68 47.421 -11.514 9.439 1.00 71.43 H new ATOM 0 HB2 LEU A 68 46.884 -13.632 8.004 1.00 54.41 H new ATOM 0 HB3 LEU A 68 48.252 -13.136 7.028 1.00 54.41 H new ATOM 0 HG LEU A 68 48.565 -13.471 10.003 1.00 70.12 H new ATOM 0 HD11 LEU A 68 49.226 -15.813 9.620 1.00 32.31 H new ATOM 0 HD12 LEU A 68 47.515 -15.536 9.216 1.00 32.31 H new ATOM 0 HD13 LEU A 68 48.725 -15.672 7.918 1.00 32.31 H new ATOM 0 HD21 LEU A 68 50.881 -14.004 9.353 1.00 43.24 H new ATOM 0 HD22 LEU A 68 50.445 -13.792 7.641 1.00 43.24 H new ATOM 0 HD23 LEU A 68 50.379 -12.405 8.754 1.00 43.24 H new ATOM 966 N ASN A 69 48.748 -9.527 8.435 1.00 41.24 N ATOM 967 CA ASN A 69 49.807 -8.588 8.081 1.00 14.13 C ATOM 968 C ASN A 69 50.621 -8.198 9.311 1.00 21.42 C ATOM 969 O ASN A 69 50.291 -8.583 10.433 1.00 43.03 O ATOM 970 CB ASN A 69 49.211 -7.336 7.433 1.00 64.53 C ATOM 971 CG ASN A 69 48.797 -6.297 8.456 1.00 52.44 C ATOM 972 OD1 ASN A 69 48.079 -6.599 9.409 1.00 70.11 O ATOM 973 ND2 ASN A 69 49.248 -5.063 8.261 1.00 3.13 N ATOM 0 H ASN A 69 48.076 -9.169 9.114 1.00 41.24 H new ATOM 0 HA ASN A 69 50.470 -9.078 7.368 1.00 14.13 H new ATOM 0 HB2 ASN A 69 49.942 -6.900 6.752 1.00 64.53 H new ATOM 0 HB3 ASN A 69 48.345 -7.617 6.834 1.00 64.53 H new ATOM 0 HD21 ASN A 69 49.001 -4.321 8.915 1.00 3.13 H new ATOM 0 HD22 ASN A 69 49.841 -4.858 7.457 1.00 3.13 H new ATOM 980 N GLN A 70 51.685 -7.433 9.091 1.00 1.24 N ATOM 981 CA GLN A 70 52.546 -6.991 10.182 1.00 24.50 C ATOM 982 C GLN A 70 52.311 -5.519 10.500 1.00 15.31 C ATOM 983 O GLN A 70 53.188 -4.681 10.296 1.00 1.03 O ATOM 984 CB GLN A 70 54.016 -7.219 9.823 1.00 30.05 C ATOM 985 CG GLN A 70 54.404 -8.687 9.749 1.00 32.02 C ATOM 986 CD GLN A 70 55.809 -8.893 9.219 1.00 72.35 C ATOM 987 OE1 GLN A 70 56.013 -9.588 8.223 1.00 71.14 O ATOM 988 NE2 GLN A 70 56.787 -8.289 9.882 1.00 23.04 N ATOM 0 H GLN A 70 51.972 -7.106 8.168 1.00 1.24 H new ATOM 0 HA GLN A 70 52.299 -7.578 11.067 1.00 24.50 H new ATOM 0 HB2 GLN A 70 54.224 -6.748 8.862 1.00 30.05 H new ATOM 0 HB3 GLN A 70 54.643 -6.723 10.564 1.00 30.05 H new ATOM 0 HG2 GLN A 70 54.326 -9.130 10.742 1.00 32.02 H new ATOM 0 HG3 GLN A 70 53.697 -9.214 9.108 1.00 32.02 H new ATOM 0 HE21 GLN A 70 56.573 -7.722 10.703 1.00 23.04 H new ATOM 0 HE22 GLN A 70 57.753 -8.391 9.571 1.00 23.04 H new ATOM 997 N GLY A 71 51.118 -5.210 11.001 1.00 41.21 N ATOM 998 CA GLY A 71 50.788 -3.838 11.338 1.00 1.45 C ATOM 999 C GLY A 71 49.310 -3.648 11.615 1.00 52.12 C ATOM 1000 O GLY A 71 48.725 -4.369 12.422 1.00 2.33 O ATOM 0 H GLY A 71 50.375 -5.886 11.179 1.00 41.21 H new ATOM 0 HA2 GLY A 71 51.361 -3.535 12.215 1.00 1.45 H new ATOM 0 HA3 GLY A 71 51.088 -3.184 10.519 1.00 1.45 H new ATOM 1004 N ASN A 72 48.704 -2.674 10.944 1.00 41.43 N ATOM 1005 CA ASN A 72 47.285 -2.390 11.123 1.00 11.31 C ATOM 1006 C ASN A 72 46.579 -2.273 9.776 1.00 71.24 C ATOM 1007 O ASN A 72 47.002 -1.513 8.904 1.00 23.43 O ATOM 1008 CB ASN A 72 47.099 -1.098 11.922 1.00 31.33 C ATOM 1009 CG ASN A 72 47.550 0.128 11.153 1.00 51.04 C ATOM 1010 OD1 ASN A 72 46.754 0.776 10.473 1.00 75.30 O ATOM 1011 ND2 ASN A 72 48.833 0.452 11.256 1.00 5.31 N ATOM 0 H ASN A 72 49.174 -2.068 10.271 1.00 41.43 H new ATOM 0 HA ASN A 72 46.841 -3.219 11.675 1.00 11.31 H new ATOM 0 HB2 ASN A 72 46.048 -0.989 12.191 1.00 31.33 H new ATOM 0 HB3 ASN A 72 47.661 -1.166 12.853 1.00 31.33 H new ATOM 0 HD21 ASN A 72 49.195 1.267 10.760 1.00 5.31 H new ATOM 0 HD22 ASN A 72 49.457 -0.114 11.831 1.00 5.31 H new ATOM 1018 N VAL A 73 45.499 -3.031 9.612 1.00 63.22 N ATOM 1019 CA VAL A 73 44.733 -3.012 8.372 1.00 71.24 C ATOM 1020 C VAL A 73 43.286 -2.605 8.626 1.00 31.10 C ATOM 1021 O VAL A 73 42.665 -3.049 9.592 1.00 12.21 O ATOM 1022 CB VAL A 73 44.753 -4.387 7.678 1.00 64.20 C ATOM 1023 CG1 VAL A 73 44.119 -4.299 6.298 1.00 31.14 C ATOM 1024 CG2 VAL A 73 46.177 -4.916 7.586 1.00 33.14 C ATOM 0 H VAL A 73 45.135 -3.666 10.323 1.00 63.22 H new ATOM 0 HA VAL A 73 45.205 -2.277 7.720 1.00 71.24 H new ATOM 0 HB VAL A 73 44.167 -5.085 8.276 1.00 64.20 H new ATOM 0 HG11 VAL A 73 44.143 -5.280 5.824 1.00 31.14 H new ATOM 0 HG12 VAL A 73 43.085 -3.967 6.393 1.00 31.14 H new ATOM 0 HG13 VAL A 73 44.674 -3.587 5.687 1.00 31.14 H new ATOM 0 HG21 VAL A 73 46.173 -5.888 7.093 1.00 33.14 H new ATOM 0 HG22 VAL A 73 46.787 -4.220 7.010 1.00 33.14 H new ATOM 0 HG23 VAL A 73 46.592 -5.019 8.588 1.00 33.14 H new ATOM 1034 N LYS A 74 42.753 -1.758 7.752 1.00 2.43 N ATOM 1035 CA LYS A 74 41.378 -1.290 7.880 1.00 72.54 C ATOM 1036 C LYS A 74 40.511 -1.836 6.749 1.00 2.30 C ATOM 1037 O LYS A 74 40.785 -1.596 5.573 1.00 73.22 O ATOM 1038 CB LYS A 74 41.335 0.239 7.877 1.00 12.33 C ATOM 1039 CG LYS A 74 40.445 0.824 8.960 1.00 1.44 C ATOM 1040 CD LYS A 74 39.126 1.319 8.392 1.00 52.05 C ATOM 1041 CE LYS A 74 38.094 1.539 9.487 1.00 0.42 C ATOM 1042 NZ LYS A 74 38.015 2.969 9.895 1.00 1.42 N ATOM 0 H LYS A 74 43.253 -1.381 6.947 1.00 2.43 H new ATOM 0 HA LYS A 74 40.983 -1.656 8.828 1.00 72.54 H new ATOM 0 HB2 LYS A 74 42.347 0.623 8.003 1.00 12.33 H new ATOM 0 HB3 LYS A 74 40.983 0.582 6.904 1.00 12.33 H new ATOM 0 HG2 LYS A 74 40.253 0.068 9.722 1.00 1.44 H new ATOM 0 HG3 LYS A 74 40.962 1.648 9.451 1.00 1.44 H new ATOM 0 HD2 LYS A 74 39.289 2.251 7.852 1.00 52.05 H new ATOM 0 HD3 LYS A 74 38.745 0.595 7.672 1.00 52.05 H new ATOM 0 HE2 LYS A 74 37.117 1.207 9.137 1.00 0.42 H new ATOM 0 HE3 LYS A 74 38.347 0.928 10.353 1.00 0.42 H new ATOM 0 HZ1 LYS A 74 37.301 3.078 10.643 1.00 1.42 H new ATOM 0 HZ2 LYS A 74 38.941 3.280 10.253 1.00 1.42 H new ATOM 0 HZ3 LYS A 74 37.748 3.550 9.075 1.00 1.42 H new ATOM 1056 N VAL A 75 39.464 -2.569 7.113 1.00 12.10 N ATOM 1057 CA VAL A 75 38.555 -3.146 6.129 1.00 4.23 C ATOM 1058 C VAL A 75 37.281 -2.318 6.006 1.00 44.44 C ATOM 1059 O VAL A 75 36.735 -1.845 7.003 1.00 41.32 O ATOM 1060 CB VAL A 75 38.180 -4.594 6.494 1.00 73.32 C ATOM 1061 CG1 VAL A 75 39.371 -5.520 6.300 1.00 30.01 C ATOM 1062 CG2 VAL A 75 37.664 -4.667 7.923 1.00 4.12 C ATOM 0 H VAL A 75 39.224 -2.778 8.082 1.00 12.10 H new ATOM 0 HA VAL A 75 39.079 -3.144 5.173 1.00 4.23 H new ATOM 0 HB VAL A 75 37.383 -4.923 5.827 1.00 73.32 H new ATOM 0 HG11 VAL A 75 39.086 -6.539 6.563 1.00 30.01 H new ATOM 0 HG12 VAL A 75 39.689 -5.490 5.258 1.00 30.01 H new ATOM 0 HG13 VAL A 75 40.192 -5.196 6.940 1.00 30.01 H new ATOM 0 HG21 VAL A 75 37.404 -5.698 8.164 1.00 4.12 H new ATOM 0 HG22 VAL A 75 38.438 -4.319 8.607 1.00 4.12 H new ATOM 0 HG23 VAL A 75 36.780 -4.037 8.023 1.00 4.12 H new ATOM 1072 N THR A 76 36.811 -2.145 4.774 1.00 62.40 N ATOM 1073 CA THR A 76 35.601 -1.374 4.519 1.00 44.23 C ATOM 1074 C THR A 76 34.465 -2.273 4.046 1.00 21.32 C ATOM 1075 O THR A 76 34.676 -3.192 3.255 1.00 50.10 O ATOM 1076 CB THR A 76 35.846 -0.278 3.464 1.00 21.11 C ATOM 1077 OG1 THR A 76 37.228 0.096 3.457 1.00 24.55 O ATOM 1078 CG2 THR A 76 34.986 0.945 3.745 1.00 3.01 C ATOM 0 H THR A 76 37.251 -2.529 3.937 1.00 62.40 H new ATOM 0 HA THR A 76 35.320 -0.905 5.462 1.00 44.23 H new ATOM 0 HB THR A 76 35.574 -0.678 2.487 1.00 21.11 H new ATOM 0 HG1 THR A 76 37.375 0.792 2.783 1.00 24.55 H new ATOM 0 HG21 THR A 76 35.176 1.705 2.987 1.00 3.01 H new ATOM 0 HG22 THR A 76 33.933 0.663 3.720 1.00 3.01 H new ATOM 0 HG23 THR A 76 35.232 1.344 4.729 1.00 3.01 H new ATOM 1086 N ALA A 77 33.260 -2.003 4.536 1.00 54.52 N ATOM 1087 CA ALA A 77 32.089 -2.786 4.161 1.00 61.11 C ATOM 1088 C ALA A 77 30.828 -1.928 4.169 1.00 65.20 C ATOM 1089 O ALA A 77 30.585 -1.174 5.111 1.00 22.42 O ATOM 1090 CB ALA A 77 31.927 -3.974 5.098 1.00 63.25 C ATOM 0 H ALA A 77 33.069 -1.247 5.194 1.00 54.52 H new ATOM 0 HA ALA A 77 32.239 -3.155 3.146 1.00 61.11 H new ATOM 0 HB1 ALA A 77 31.049 -4.550 4.807 1.00 63.25 H new ATOM 0 HB2 ALA A 77 32.812 -4.607 5.039 1.00 63.25 H new ATOM 0 HB3 ALA A 77 31.804 -3.617 6.120 1.00 63.25 H new ATOM 1096 N SER A 78 30.030 -2.048 3.113 1.00 42.51 N ATOM 1097 CA SER A 78 28.796 -1.279 2.997 1.00 64.14 C ATOM 1098 C SER A 78 27.735 -2.068 2.236 1.00 13.12 C ATOM 1099 O SER A 78 28.034 -2.742 1.250 1.00 24.24 O ATOM 1100 CB SER A 78 29.064 0.051 2.289 1.00 33.05 C ATOM 1101 OG SER A 78 27.858 0.763 2.069 1.00 63.53 O ATOM 0 H SER A 78 30.215 -2.670 2.326 1.00 42.51 H new ATOM 0 HA SER A 78 28.425 -1.079 4.002 1.00 64.14 H new ATOM 0 HB2 SER A 78 29.743 0.656 2.890 1.00 33.05 H new ATOM 0 HB3 SER A 78 29.560 -0.134 1.336 1.00 33.05 H new ATOM 0 HG SER A 78 27.243 0.603 2.815 1.00 63.53 H new ATOM 1107 N ILE A 79 26.493 -1.978 2.702 1.00 65.21 N ATOM 1108 CA ILE A 79 25.387 -2.682 2.066 1.00 72.11 C ATOM 1109 C ILE A 79 24.205 -1.748 1.829 1.00 71.21 C ATOM 1110 O ILE A 79 23.892 -0.901 2.664 1.00 4.14 O ATOM 1111 CB ILE A 79 24.919 -3.879 2.915 1.00 53.12 C ATOM 1112 CG1 ILE A 79 23.832 -4.662 2.176 1.00 73.12 C ATOM 1113 CG2 ILE A 79 24.409 -3.402 4.267 1.00 64.32 C ATOM 1114 CD1 ILE A 79 23.329 -5.867 2.941 1.00 42.44 C ATOM 0 H ILE A 79 26.228 -1.425 3.517 1.00 65.21 H new ATOM 0 HA ILE A 79 25.755 -3.049 1.108 1.00 72.11 H new ATOM 0 HB ILE A 79 25.768 -4.542 3.082 1.00 53.12 H new ATOM 0 HG12 ILE A 79 22.993 -3.997 1.969 1.00 73.12 H new ATOM 0 HG13 ILE A 79 24.223 -4.990 1.213 1.00 73.12 H new ATOM 0 HG21 ILE A 79 24.082 -4.259 4.856 1.00 64.32 H new ATOM 0 HG22 ILE A 79 25.209 -2.883 4.795 1.00 64.32 H new ATOM 0 HG23 ILE A 79 23.570 -2.721 4.120 1.00 64.32 H new ATOM 0 HD11 ILE A 79 22.561 -6.374 2.357 1.00 42.44 H new ATOM 0 HD12 ILE A 79 24.156 -6.553 3.125 1.00 42.44 H new ATOM 0 HD13 ILE A 79 22.907 -5.544 3.893 1.00 42.44 H new ATOM 1126 N GLY A 80 23.550 -1.911 0.683 1.00 15.44 N ATOM 1127 CA GLY A 80 22.408 -1.076 0.357 1.00 32.23 C ATOM 1128 C GLY A 80 22.730 0.403 0.433 1.00 62.11 C ATOM 1129 O GLY A 80 23.416 0.941 -0.435 1.00 41.11 O ATOM 0 H GLY A 80 23.789 -2.605 -0.025 1.00 15.44 H new ATOM 0 HA2 GLY A 80 22.060 -1.318 -0.647 1.00 32.23 H new ATOM 0 HA3 GLY A 80 21.590 -1.302 1.041 1.00 32.23 H new ATOM 1133 N GLY A 81 22.232 1.063 1.474 1.00 4.32 N ATOM 1134 CA GLY A 81 22.481 2.484 1.639 1.00 33.55 C ATOM 1135 C GLY A 81 23.334 2.785 2.855 1.00 0.34 C ATOM 1136 O GLY A 81 24.005 3.817 2.911 1.00 74.43 O ATOM 0 H GLY A 81 21.661 0.640 2.206 1.00 4.32 H new ATOM 0 HA2 GLY A 81 22.976 2.869 0.747 1.00 33.55 H new ATOM 0 HA3 GLY A 81 21.530 3.009 1.727 1.00 33.55 H new ATOM 1140 N ILE A 82 23.308 1.885 3.832 1.00 3.24 N ATOM 1141 CA ILE A 82 24.085 2.061 5.053 1.00 1.11 C ATOM 1142 C ILE A 82 25.566 1.793 4.806 1.00 72.10 C ATOM 1143 O ILE A 82 25.926 1.006 3.931 1.00 52.23 O ATOM 1144 CB ILE A 82 23.587 1.132 6.176 1.00 2.21 C ATOM 1145 CG1 ILE A 82 24.101 1.616 7.534 1.00 44.04 C ATOM 1146 CG2 ILE A 82 24.031 -0.299 5.915 1.00 31.41 C ATOM 1147 CD1 ILE A 82 23.577 2.979 7.928 1.00 50.15 C ATOM 0 H ILE A 82 22.758 1.027 3.802 1.00 3.24 H new ATOM 0 HA ILE A 82 23.953 3.097 5.364 1.00 1.11 H new ATOM 0 HB ILE A 82 22.497 1.157 6.191 1.00 2.21 H new ATOM 0 HG12 ILE A 82 23.819 0.892 8.299 1.00 44.04 H new ATOM 0 HG13 ILE A 82 25.190 1.647 7.511 1.00 44.04 H new ATOM 0 HG21 ILE A 82 23.672 -0.944 6.717 1.00 31.41 H new ATOM 0 HG22 ILE A 82 23.621 -0.640 4.964 1.00 31.41 H new ATOM 0 HG23 ILE A 82 25.120 -0.341 5.876 1.00 31.41 H new ATOM 0 HD11 ILE A 82 23.983 3.258 8.901 1.00 50.15 H new ATOM 0 HD12 ILE A 82 23.881 3.715 7.184 1.00 50.15 H new ATOM 0 HD13 ILE A 82 22.489 2.948 7.984 1.00 50.15 H new ATOM 1159 N GLN A 83 26.419 2.451 5.584 1.00 32.14 N ATOM 1160 CA GLN A 83 27.861 2.282 5.450 1.00 11.12 C ATOM 1161 C GLN A 83 28.461 1.693 6.723 1.00 53.42 C ATOM 1162 O GLN A 83 27.990 1.966 7.826 1.00 24.25 O ATOM 1163 CB GLN A 83 28.525 3.623 5.132 1.00 21.20 C ATOM 1164 CG GLN A 83 28.346 4.665 6.224 1.00 55.11 C ATOM 1165 CD GLN A 83 28.649 6.071 5.744 1.00 33.14 C ATOM 1166 OE1 GLN A 83 28.381 6.418 4.594 1.00 63.25 O ATOM 1167 NE2 GLN A 83 29.210 6.889 6.627 1.00 50.55 N ATOM 0 H GLN A 83 26.137 3.106 6.313 1.00 32.14 H new ATOM 0 HA GLN A 83 28.046 1.589 4.629 1.00 11.12 H new ATOM 0 HB2 GLN A 83 29.590 3.461 4.967 1.00 21.20 H new ATOM 0 HB3 GLN A 83 28.113 4.011 4.200 1.00 21.20 H new ATOM 0 HG2 GLN A 83 27.322 4.625 6.595 1.00 55.11 H new ATOM 0 HG3 GLN A 83 28.999 4.423 7.063 1.00 55.11 H new ATOM 0 HE21 GLN A 83 29.415 6.559 7.570 1.00 50.55 H new ATOM 0 HE22 GLN A 83 29.436 7.848 6.362 1.00 50.55 H new ATOM 1176 N GLY A 84 29.503 0.884 6.561 1.00 71.34 N ATOM 1177 CA GLY A 84 30.150 0.269 7.705 1.00 73.41 C ATOM 1178 C GLY A 84 31.659 0.400 7.657 1.00 21.45 C ATOM 1179 O GLY A 84 32.257 0.379 6.582 1.00 42.02 O ATOM 0 H GLY A 84 29.911 0.643 5.658 1.00 71.34 H new ATOM 0 HA2 GLY A 84 29.777 0.729 8.620 1.00 73.41 H new ATOM 0 HA3 GLY A 84 29.881 -0.786 7.747 1.00 73.41 H new ATOM 1183 N SER A 85 32.277 0.536 8.826 1.00 13.55 N ATOM 1184 CA SER A 85 33.725 0.677 8.914 1.00 45.23 C ATOM 1185 C SER A 85 34.268 -0.041 10.145 1.00 32.35 C ATOM 1186 O SER A 85 33.711 0.067 11.238 1.00 13.04 O ATOM 1187 CB SER A 85 34.114 2.156 8.960 1.00 54.30 C ATOM 1188 OG SER A 85 32.985 2.987 8.745 1.00 24.52 O ATOM 0 H SER A 85 31.797 0.551 9.726 1.00 13.55 H new ATOM 0 HA SER A 85 34.163 0.221 8.026 1.00 45.23 H new ATOM 0 HB2 SER A 85 34.561 2.388 9.927 1.00 54.30 H new ATOM 0 HB3 SER A 85 34.870 2.360 8.202 1.00 54.30 H new ATOM 0 HG SER A 85 33.259 3.927 8.781 1.00 24.52 H new ATOM 1194 N THR A 86 35.360 -0.777 9.961 1.00 50.30 N ATOM 1195 CA THR A 86 35.978 -1.515 11.055 1.00 4.41 C ATOM 1196 C THR A 86 37.499 -1.482 10.950 1.00 12.23 C ATOM 1197 O THR A 86 38.052 -1.343 9.859 1.00 25.14 O ATOM 1198 CB THR A 86 35.508 -2.981 11.080 1.00 64.32 C ATOM 1199 OG1 THR A 86 36.484 -3.797 11.737 1.00 21.43 O ATOM 1200 CG2 THR A 86 35.275 -3.499 9.668 1.00 2.34 C ATOM 0 H THR A 86 35.835 -0.878 9.064 1.00 50.30 H new ATOM 0 HA THR A 86 35.670 -1.027 11.980 1.00 4.41 H new ATOM 0 HB THR A 86 34.567 -3.028 11.628 1.00 64.32 H new ATOM 0 HG1 THR A 86 36.556 -3.528 12.677 1.00 21.43 H new ATOM 0 HG21 THR A 86 34.944 -4.537 9.711 1.00 2.34 H new ATOM 0 HG22 THR A 86 34.511 -2.894 9.180 1.00 2.34 H new ATOM 0 HG23 THR A 86 36.203 -3.438 9.100 1.00 2.34 H new ATOM 1208 N ASP A 87 38.169 -1.611 12.090 1.00 15.22 N ATOM 1209 CA ASP A 87 39.626 -1.598 12.126 1.00 3.32 C ATOM 1210 C ASP A 87 40.169 -2.927 12.641 1.00 62.34 C ATOM 1211 O ASP A 87 39.711 -3.444 13.660 1.00 23.10 O ATOM 1212 CB ASP A 87 40.126 -0.453 13.009 1.00 13.11 C ATOM 1213 CG ASP A 87 41.631 -0.471 13.184 1.00 25.54 C ATOM 1214 OD1 ASP A 87 42.336 0.087 12.318 1.00 61.22 O ATOM 1215 OD2 ASP A 87 42.105 -1.045 14.188 1.00 44.03 O ATOM 0 H ASP A 87 37.726 -1.726 13.001 1.00 15.22 H new ATOM 0 HA ASP A 87 39.988 -1.447 11.109 1.00 3.32 H new ATOM 0 HB2 ASP A 87 39.826 0.498 12.570 1.00 13.11 H new ATOM 0 HB3 ASP A 87 39.649 -0.517 13.987 1.00 13.11 H new ATOM 1220 N PHE A 88 41.147 -3.477 11.928 1.00 40.20 N ATOM 1221 CA PHE A 88 41.751 -4.748 12.311 1.00 0.41 C ATOM 1222 C PHE A 88 43.267 -4.617 12.425 1.00 0.21 C ATOM 1223 O PHE A 88 43.958 -4.381 11.434 1.00 60.34 O ATOM 1224 CB PHE A 88 41.397 -5.833 11.292 1.00 13.32 C ATOM 1225 CG PHE A 88 40.092 -6.520 11.578 1.00 52.24 C ATOM 1226 CD1 PHE A 88 38.890 -5.920 11.238 1.00 35.44 C ATOM 1227 CD2 PHE A 88 40.068 -7.765 12.184 1.00 34.14 C ATOM 1228 CE1 PHE A 88 37.688 -6.550 11.501 1.00 75.24 C ATOM 1229 CE2 PHE A 88 38.869 -8.400 12.449 1.00 55.03 C ATOM 1230 CZ PHE A 88 37.677 -7.792 12.105 1.00 0.13 C ATOM 0 H PHE A 88 41.538 -3.062 11.082 1.00 40.20 H new ATOM 0 HA PHE A 88 41.354 -5.031 13.286 1.00 0.41 H new ATOM 0 HB2 PHE A 88 41.354 -5.387 10.298 1.00 13.32 H new ATOM 0 HB3 PHE A 88 42.194 -6.577 11.273 1.00 13.32 H new ATOM 0 HD1 PHE A 88 38.892 -4.950 10.763 1.00 35.44 H new ATOM 0 HD2 PHE A 88 40.997 -8.246 12.453 1.00 34.14 H new ATOM 0 HE1 PHE A 88 36.758 -6.071 11.234 1.00 75.24 H new ATOM 0 HE2 PHE A 88 38.864 -9.370 12.924 1.00 55.03 H new ATOM 0 HZ PHE A 88 36.739 -8.287 12.308 1.00 0.13 H new ATOM 1240 N LYS A 89 43.778 -4.771 13.642 1.00 42.42 N ATOM 1241 CA LYS A 89 45.212 -4.671 13.888 1.00 11.22 C ATOM 1242 C LYS A 89 45.822 -6.050 14.118 1.00 53.02 C ATOM 1243 O LYS A 89 45.584 -6.681 15.147 1.00 34.54 O ATOM 1244 CB LYS A 89 45.481 -3.774 15.099 1.00 70.50 C ATOM 1245 CG LYS A 89 45.575 -2.298 14.754 1.00 32.21 C ATOM 1246 CD LYS A 89 46.875 -1.691 15.253 1.00 42.43 C ATOM 1247 CE LYS A 89 46.857 -1.495 16.761 1.00 53.11 C ATOM 1248 NZ LYS A 89 48.146 -1.897 17.388 1.00 2.52 N ATOM 0 H LYS A 89 43.220 -4.966 14.474 1.00 42.42 H new ATOM 0 HA LYS A 89 45.677 -4.230 13.006 1.00 11.22 H new ATOM 0 HB2 LYS A 89 44.686 -3.918 15.831 1.00 70.50 H new ATOM 0 HB3 LYS A 89 46.411 -4.088 15.573 1.00 70.50 H new ATOM 0 HG2 LYS A 89 45.504 -2.171 13.674 1.00 32.21 H new ATOM 0 HG3 LYS A 89 44.731 -1.766 15.194 1.00 32.21 H new ATOM 0 HD2 LYS A 89 47.708 -2.338 14.979 1.00 42.43 H new ATOM 0 HD3 LYS A 89 47.042 -0.732 14.763 1.00 42.43 H new ATOM 0 HE2 LYS A 89 46.653 -0.449 16.989 1.00 53.11 H new ATOM 0 HE3 LYS A 89 46.045 -2.079 17.193 1.00 53.11 H new ATOM 0 HZ1 LYS A 89 48.093 -1.748 18.416 1.00 2.52 H new ATOM 0 HZ2 LYS A 89 48.329 -2.902 17.192 1.00 2.52 H new ATOM 0 HZ3 LYS A 89 48.918 -1.322 16.994 1.00 2.52 H new ATOM 1262 N VAL A 90 46.611 -6.511 13.153 1.00 73.44 N ATOM 1263 CA VAL A 90 47.257 -7.815 13.251 1.00 40.40 C ATOM 1264 C VAL A 90 48.728 -7.672 13.625 1.00 0.31 C ATOM 1265 O VAL A 90 49.542 -7.209 12.825 1.00 21.11 O ATOM 1266 CB VAL A 90 47.149 -8.596 11.928 1.00 34.22 C ATOM 1267 CG1 VAL A 90 47.841 -9.945 12.047 1.00 73.53 C ATOM 1268 CG2 VAL A 90 45.691 -8.769 11.530 1.00 53.33 C ATOM 0 H VAL A 90 46.818 -6.001 12.294 1.00 73.44 H new ATOM 0 HA VAL A 90 46.738 -8.368 14.034 1.00 40.40 H new ATOM 0 HB VAL A 90 47.650 -8.025 11.146 1.00 34.22 H new ATOM 0 HG11 VAL A 90 47.755 -10.483 11.103 1.00 73.53 H new ATOM 0 HG12 VAL A 90 48.894 -9.794 12.283 1.00 73.53 H new ATOM 0 HG13 VAL A 90 47.371 -10.526 12.840 1.00 73.53 H new ATOM 0 HG21 VAL A 90 45.633 -9.323 10.593 1.00 53.33 H new ATOM 0 HG22 VAL A 90 45.164 -9.319 12.310 1.00 53.33 H new ATOM 0 HG23 VAL A 90 45.230 -7.790 11.402 1.00 53.33 H new ATOM 1278 N THR A 91 49.064 -8.073 14.847 1.00 11.44 N ATOM 1279 CA THR A 91 50.437 -7.989 15.329 1.00 71.01 C ATOM 1280 C THR A 91 51.223 -9.245 14.971 1.00 74.32 C ATOM 1281 O THR A 91 50.646 -10.252 14.560 1.00 22.00 O ATOM 1282 CB THR A 91 50.486 -7.784 16.855 1.00 74.32 C ATOM 1283 OG1 THR A 91 49.821 -8.867 17.516 1.00 42.22 O ATOM 1284 CG2 THR A 91 49.832 -6.467 17.245 1.00 21.22 C ATOM 0 H THR A 91 48.403 -8.459 15.521 1.00 11.44 H new ATOM 0 HA THR A 91 50.891 -7.127 14.840 1.00 71.01 H new ATOM 0 HB THR A 91 51.531 -7.758 17.163 1.00 74.32 H new ATOM 0 HG1 THR A 91 49.858 -8.730 18.486 1.00 42.22 H new ATOM 0 HG21 THR A 91 49.879 -6.344 18.327 1.00 21.22 H new ATOM 0 HG22 THR A 91 50.358 -5.643 16.763 1.00 21.22 H new ATOM 0 HG23 THR A 91 48.790 -6.469 16.925 1.00 21.22 H new ATOM 1292 N GLN A 92 52.540 -9.179 15.130 1.00 44.10 N ATOM 1293 CA GLN A 92 53.405 -10.313 14.823 1.00 55.51 C ATOM 1294 C GLN A 92 53.218 -11.431 15.843 1.00 62.12 C ATOM 1295 O GLN A 92 53.014 -11.175 17.030 1.00 21.31 O ATOM 1296 CB GLN A 92 54.869 -9.871 14.794 1.00 70.51 C ATOM 1297 CG GLN A 92 55.723 -10.660 13.814 1.00 33.43 C ATOM 1298 CD GLN A 92 57.205 -10.547 14.110 1.00 63.15 C ATOM 1299 OE1 GLN A 92 57.801 -11.443 14.708 1.00 62.43 O ATOM 1300 NE2 GLN A 92 57.810 -9.442 13.690 1.00 11.34 N ATOM 0 H GLN A 92 53.032 -8.353 15.470 1.00 44.10 H new ATOM 0 HA GLN A 92 53.129 -10.694 13.840 1.00 55.51 H new ATOM 0 HB2 GLN A 92 54.916 -8.813 14.534 1.00 70.51 H new ATOM 0 HB3 GLN A 92 55.291 -9.972 15.794 1.00 70.51 H new ATOM 0 HG2 GLN A 92 55.429 -11.709 13.845 1.00 33.43 H new ATOM 0 HG3 GLN A 92 55.530 -10.304 12.802 1.00 33.43 H new ATOM 0 HE21 GLN A 92 57.277 -8.725 13.198 1.00 11.34 H new ATOM 0 HE22 GLN A 92 58.807 -9.311 13.859 1.00 11.34 H new