USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 1017 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 18 ASN : amide:sc= 0.425 K(o=0.34,f=-5.5!) USER MOD Set 1.2: A 65 ASN : amide:sc= -0.0814 K(o=0.34,f=-7.2!) USER MOD Set 2.1: A 50 ASN : amide:sc= 0.911 K(o=1.6,f=-2.4) USER MOD Set 2.2: B 3 LYS NZ :NH3+ -160:sc= 0.677 (180deg=-0.0379) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.644 K(o=-0.64,f=-6.8!) USER MOD Single : A 12 LYS NZ :NH3+ -135:sc= -0.0498 (180deg=-0.983) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -169:sc= -0.0234 (180deg=-0.164) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 170:sc= 0.147 USER MOD Single : A 39 THR OG1 : rot 71:sc= 0.293 USER MOD Single : A 51 LYS NZ :NH3+ -165:sc= -0.0447 (180deg=-0.266) USER MOD Single : A 57 LYS NZ :NH3+ -119:sc= 0.0319 (180deg=-0.0455) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 TYR OH : rot -89:sc= -0.594 USER MOD Single : B 4 LYS NZ :NH3+ 169:sc= -0.0122 (180deg=-0.164) USER MOD Single : B 9 ASN : amide:sc= 0.34 K(o=0.34,f=-6.1!) USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= -0.168 K(o=-0.17,f=-0.87) USER MOD Single : B 18 ASN : amide:sc= -0.363 X(o=-0.36,f=0) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 38 SER OG : rot 180:sc= -0.0925 USER MOD Single : B 39 THR OG1 : rot 74:sc= 0.265 USER MOD Single : B 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 51 LYS NZ :NH3+ 164:sc= 0.573 (180deg=0.444) USER MOD Single : B 57 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0567) USER MOD Single : B 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 65 ASN : amide:sc= -1.28 K(o=-1.3,f=-7.7!) USER MOD ----------------------------------------------------------------- ATOM 54 N LYS A 4 -0.560 12.881 4.668 1.00 50.24 N ATOM 55 CA LYS A 4 -1.829 12.868 5.424 1.00 31.11 C ATOM 56 C LYS A 4 -3.026 12.329 4.581 1.00 41.34 C ATOM 57 O LYS A 4 -4.078 12.028 5.143 1.00 74.55 O ATOM 58 CB LYS A 4 -2.118 14.308 5.922 1.00 22.31 C ATOM 59 CG LYS A 4 -1.006 14.898 6.827 1.00 50.34 C ATOM 60 CD LYS A 4 -1.190 16.403 7.131 1.00 41.34 C ATOM 61 CE LYS A 4 -2.532 16.727 7.810 1.00 52.04 C ATOM 62 NZ LYS A 4 -2.641 18.164 8.170 1.00 2.31 N ATOM 0 HA LYS A 4 -1.720 12.186 6.267 1.00 31.11 H new ATOM 0 HB2 LYS A 4 -2.253 14.960 5.059 1.00 22.31 H new ATOM 0 HB3 LYS A 4 -3.059 14.309 6.473 1.00 22.31 H new ATOM 0 HG2 LYS A 4 -0.983 14.346 7.767 1.00 50.34 H new ATOM 0 HG3 LYS A 4 -0.040 14.748 6.346 1.00 50.34 H new ATOM 0 HD2 LYS A 4 -0.376 16.739 7.773 1.00 41.34 H new ATOM 0 HD3 LYS A 4 -1.116 16.966 6.201 1.00 41.34 H new ATOM 0 HE2 LYS A 4 -3.350 16.457 7.142 1.00 52.04 H new ATOM 0 HE3 LYS A 4 -2.640 16.119 8.708 1.00 52.04 H new ATOM 0 HZ1 LYS A 4 -3.560 18.339 8.625 1.00 2.31 H new ATOM 0 HZ2 LYS A 4 -1.876 18.416 8.827 1.00 2.31 H new ATOM 0 HZ3 LYS A 4 -2.564 18.744 7.310 1.00 2.31 H new ATOM 76 N ILE A 5 -2.867 12.258 3.233 1.00 31.31 N ATOM 77 CA ILE A 5 -3.854 11.605 2.330 1.00 44.03 C ATOM 78 C ILE A 5 -4.062 10.117 2.724 1.00 33.11 C ATOM 79 O ILE A 5 -5.194 9.694 2.994 1.00 52.31 O ATOM 80 CB ILE A 5 -3.407 11.685 0.816 1.00 45.11 C ATOM 81 CG1 ILE A 5 -3.228 13.171 0.358 1.00 73.32 C ATOM 82 CG2 ILE A 5 -4.403 10.936 -0.119 1.00 44.25 C ATOM 83 CD1 ILE A 5 -2.580 13.332 -1.015 1.00 63.21 C ATOM 0 H ILE A 5 -2.060 12.647 2.745 1.00 31.31 H new ATOM 0 HA ILE A 5 -4.793 12.147 2.443 1.00 44.03 H new ATOM 0 HB ILE A 5 -2.441 11.185 0.738 1.00 45.11 H new ATOM 0 HG12 ILE A 5 -4.205 13.655 0.345 1.00 73.32 H new ATOM 0 HG13 ILE A 5 -2.622 13.696 1.096 1.00 73.32 H new ATOM 0 HG21 ILE A 5 -4.062 11.014 -1.151 1.00 44.25 H new ATOM 0 HG22 ILE A 5 -4.453 9.886 0.169 1.00 44.25 H new ATOM 0 HG23 ILE A 5 -5.393 11.384 -0.030 1.00 44.25 H new ATOM 0 HD11 ILE A 5 -2.494 14.392 -1.255 1.00 63.21 H new ATOM 0 HD12 ILE A 5 -1.588 12.880 -1.004 1.00 63.21 H new ATOM 0 HD13 ILE A 5 -3.195 12.839 -1.768 1.00 63.21 H new ATOM 95 N VAL A 6 -2.949 9.345 2.772 1.00 24.33 N ATOM 96 CA VAL A 6 -2.984 7.909 3.155 1.00 33.32 C ATOM 97 C VAL A 6 -3.371 7.735 4.645 1.00 72.43 C ATOM 98 O VAL A 6 -3.879 6.689 5.034 1.00 51.11 O ATOM 99 CB VAL A 6 -1.638 7.146 2.832 1.00 10.04 C ATOM 100 CG1 VAL A 6 -1.278 7.268 1.335 1.00 63.15 C ATOM 101 CG2 VAL A 6 -0.461 7.614 3.722 1.00 54.52 C ATOM 0 H VAL A 6 -2.015 9.691 2.551 1.00 24.33 H new ATOM 0 HA VAL A 6 -3.757 7.451 2.538 1.00 33.32 H new ATOM 0 HB VAL A 6 -1.811 6.095 3.063 1.00 10.04 H new ATOM 0 HG11 VAL A 6 -0.348 6.734 1.140 1.00 63.15 H new ATOM 0 HG12 VAL A 6 -2.077 6.837 0.732 1.00 63.15 H new ATOM 0 HG13 VAL A 6 -1.154 8.319 1.075 1.00 63.15 H new ATOM 0 HG21 VAL A 6 0.438 7.058 3.458 1.00 54.52 H new ATOM 0 HG22 VAL A 6 -0.288 8.679 3.566 1.00 54.52 H new ATOM 0 HG23 VAL A 6 -0.704 7.436 4.770 1.00 54.52 H new ATOM 111 N GLY A 7 -3.098 8.772 5.468 1.00 64.22 N ATOM 112 CA GLY A 7 -3.556 8.812 6.864 1.00 32.14 C ATOM 113 C GLY A 7 -5.078 8.955 7.009 1.00 44.45 C ATOM 114 O GLY A 7 -5.701 8.303 7.861 1.00 70.44 O ATOM 0 H GLY A 7 -2.561 9.591 5.183 1.00 64.22 H new ATOM 0 HA2 GLY A 7 -3.236 7.901 7.369 1.00 32.14 H new ATOM 0 HA3 GLY A 7 -3.071 9.645 7.373 1.00 32.14 H new ATOM 118 N ALA A 8 -5.667 9.817 6.161 1.00 71.20 N ATOM 119 CA ALA A 8 -7.117 10.116 6.165 1.00 35.31 C ATOM 120 C ALA A 8 -7.962 8.906 5.687 1.00 13.53 C ATOM 121 O ALA A 8 -8.849 8.433 6.408 1.00 24.52 O ATOM 122 CB ALA A 8 -7.390 11.355 5.289 1.00 4.34 C ATOM 0 H ALA A 8 -5.150 10.331 5.448 1.00 71.20 H new ATOM 0 HA ALA A 8 -7.418 10.324 7.192 1.00 35.31 H new ATOM 0 HB1 ALA A 8 -8.458 11.575 5.292 1.00 4.34 H new ATOM 0 HB2 ALA A 8 -6.842 12.210 5.687 1.00 4.34 H new ATOM 0 HB3 ALA A 8 -7.063 11.158 4.268 1.00 4.34 H new ATOM 128 N ASN A 9 -7.644 8.389 4.482 1.00 50.03 N ATOM 129 CA ASN A 9 -8.401 7.272 3.848 1.00 0.25 C ATOM 130 C ASN A 9 -8.231 5.922 4.605 1.00 44.20 C ATOM 131 O ASN A 9 -9.074 5.016 4.471 1.00 70.33 O ATOM 132 CB ASN A 9 -8.018 7.143 2.344 1.00 64.11 C ATOM 133 CG ASN A 9 -6.522 6.939 2.064 1.00 72.01 C ATOM 134 OD1 ASN A 9 -5.808 6.326 2.834 1.00 24.25 O ATOM 135 ND2 ASN A 9 -6.028 7.472 0.958 1.00 14.15 N ATOM 0 H ASN A 9 -6.863 8.726 3.919 1.00 50.03 H new ATOM 0 HA ASN A 9 -9.461 7.518 3.915 1.00 0.25 H new ATOM 0 HB2 ASN A 9 -8.569 6.305 1.916 1.00 64.11 H new ATOM 0 HB3 ASN A 9 -8.349 8.041 1.823 1.00 64.11 H new ATOM 0 HD21 ASN A 9 -5.036 7.371 0.742 1.00 14.15 H new ATOM 0 HD22 ASN A 9 -6.639 7.984 0.321 1.00 14.15 H new ATOM 142 N ALA A 10 -7.160 5.821 5.427 1.00 11.41 N ATOM 143 CA ALA A 10 -6.857 4.619 6.233 1.00 23.15 C ATOM 144 C ALA A 10 -7.879 4.409 7.378 1.00 21.42 C ATOM 145 O ALA A 10 -8.117 3.275 7.801 1.00 24.40 O ATOM 146 CB ALA A 10 -5.435 4.705 6.798 1.00 11.42 C ATOM 0 H ALA A 10 -6.482 6.573 5.549 1.00 11.41 H new ATOM 0 HA ALA A 10 -6.931 3.756 5.571 1.00 23.15 H new ATOM 0 HB1 ALA A 10 -5.224 3.814 7.390 1.00 11.42 H new ATOM 0 HB2 ALA A 10 -4.721 4.773 5.977 1.00 11.42 H new ATOM 0 HB3 ALA A 10 -5.347 5.589 7.430 1.00 11.42 H new ATOM 152 N GLY A 11 -8.479 5.514 7.867 1.00 63.33 N ATOM 153 CA GLY A 11 -9.504 5.451 8.925 1.00 61.52 C ATOM 154 C GLY A 11 -10.804 4.766 8.475 1.00 40.24 C ATOM 155 O GLY A 11 -11.381 3.957 9.212 1.00 32.53 O ATOM 0 H GLY A 11 -8.270 6.459 7.545 1.00 63.33 H new ATOM 0 HA2 GLY A 11 -9.098 4.915 9.783 1.00 61.52 H new ATOM 0 HA3 GLY A 11 -9.732 6.463 9.260 1.00 61.52 H new ATOM 159 N LYS A 12 -11.249 5.099 7.248 1.00 54.21 N ATOM 160 CA LYS A 12 -12.465 4.523 6.628 1.00 53.22 C ATOM 161 C LYS A 12 -12.302 3.012 6.319 1.00 54.52 C ATOM 162 O LYS A 12 -13.189 2.207 6.631 1.00 1.13 O ATOM 163 CB LYS A 12 -12.805 5.308 5.335 1.00 14.10 C ATOM 164 CG LYS A 12 -13.968 4.732 4.493 1.00 11.24 C ATOM 165 CD LYS A 12 -14.357 5.605 3.263 1.00 65.41 C ATOM 166 CE LYS A 12 -13.183 5.900 2.291 1.00 74.20 C ATOM 167 NZ LYS A 12 -12.358 7.063 2.708 1.00 13.13 N ATOM 0 H LYS A 12 -10.775 5.779 6.653 1.00 54.21 H new ATOM 0 HA LYS A 12 -13.284 4.615 7.341 1.00 53.22 H new ATOM 0 HB2 LYS A 12 -13.051 6.334 5.608 1.00 14.10 H new ATOM 0 HB3 LYS A 12 -11.913 5.349 4.710 1.00 14.10 H new ATOM 0 HG2 LYS A 12 -13.692 3.736 4.145 1.00 11.24 H new ATOM 0 HG3 LYS A 12 -14.842 4.615 5.133 1.00 11.24 H new ATOM 0 HD2 LYS A 12 -15.152 5.102 2.712 1.00 65.41 H new ATOM 0 HD3 LYS A 12 -14.765 6.551 3.618 1.00 65.41 H new ATOM 0 HE2 LYS A 12 -12.547 5.018 2.221 1.00 74.20 H new ATOM 0 HE3 LYS A 12 -13.583 6.085 1.294 1.00 74.20 H new ATOM 0 HZ1 LYS A 12 -12.169 7.668 1.884 1.00 13.13 H new ATOM 0 HZ2 LYS A 12 -12.869 7.610 3.430 1.00 13.13 H new ATOM 0 HZ3 LYS A 12 -11.457 6.726 3.103 1.00 13.13 H new ATOM 181 N VAL A 13 -11.156 2.637 5.709 1.00 0.43 N ATOM 182 CA VAL A 13 -10.883 1.232 5.318 1.00 3.01 C ATOM 183 C VAL A 13 -10.667 0.320 6.561 1.00 62.22 C ATOM 184 O VAL A 13 -11.031 -0.859 6.548 1.00 13.24 O ATOM 185 CB VAL A 13 -9.669 1.143 4.305 1.00 54.24 C ATOM 186 CG1 VAL A 13 -8.323 1.535 4.956 1.00 52.31 C ATOM 187 CG2 VAL A 13 -9.581 -0.251 3.643 1.00 63.10 C ATOM 0 H VAL A 13 -10.404 3.286 5.476 1.00 0.43 H new ATOM 0 HA VAL A 13 -11.767 0.858 4.801 1.00 3.01 H new ATOM 0 HB VAL A 13 -9.868 1.875 3.523 1.00 54.24 H new ATOM 0 HG11 VAL A 13 -7.525 1.456 4.218 1.00 52.31 H new ATOM 0 HG12 VAL A 13 -8.380 2.561 5.321 1.00 52.31 H new ATOM 0 HG13 VAL A 13 -8.113 0.865 5.790 1.00 52.31 H new ATOM 0 HG21 VAL A 13 -8.736 -0.274 2.955 1.00 63.10 H new ATOM 0 HG22 VAL A 13 -9.443 -1.011 4.412 1.00 63.10 H new ATOM 0 HG23 VAL A 13 -10.501 -0.452 3.095 1.00 63.10 H new ATOM 197 N TRP A 14 -10.098 0.899 7.643 1.00 72.15 N ATOM 198 CA TRP A 14 -9.919 0.195 8.939 1.00 71.22 C ATOM 199 C TRP A 14 -11.278 0.008 9.674 1.00 12.15 C ATOM 200 O TRP A 14 -11.490 -0.999 10.358 1.00 10.12 O ATOM 201 CB TRP A 14 -8.900 0.954 9.833 1.00 22.13 C ATOM 202 CG TRP A 14 -8.460 0.184 11.064 1.00 63.20 C ATOM 203 CD1 TRP A 14 -7.481 -0.772 11.150 1.00 11.41 C ATOM 204 CD2 TRP A 14 -8.998 0.311 12.381 1.00 72.41 C ATOM 205 NE1 TRP A 14 -7.394 -1.237 12.436 1.00 41.34 N ATOM 206 CE2 TRP A 14 -8.312 -0.588 13.209 1.00 42.35 C ATOM 207 CE3 TRP A 14 -9.997 1.107 12.926 1.00 51.44 C ATOM 208 CZ2 TRP A 14 -8.596 -0.714 14.563 1.00 2.52 C ATOM 209 CZ3 TRP A 14 -10.285 0.987 14.270 1.00 11.32 C ATOM 210 CH2 TRP A 14 -9.584 0.081 15.078 1.00 11.42 C ATOM 0 H TRP A 14 -9.752 1.859 7.646 1.00 72.15 H new ATOM 0 HA TRP A 14 -9.521 -0.798 8.732 1.00 71.22 H new ATOM 0 HB2 TRP A 14 -8.021 1.197 9.237 1.00 22.13 H new ATOM 0 HB3 TRP A 14 -9.343 1.899 10.148 1.00 22.13 H new ATOM 0 HD1 TRP A 14 -6.869 -1.109 10.326 1.00 11.41 H new ATOM 0 HE1 TRP A 14 -6.746 -1.954 12.763 1.00 41.34 H new ATOM 0 HE3 TRP A 14 -10.539 1.808 12.308 1.00 51.44 H new ATOM 0 HZ2 TRP A 14 -8.057 -1.413 15.186 1.00 2.52 H new ATOM 0 HZ3 TRP A 14 -11.061 1.599 14.705 1.00 11.32 H new ATOM 0 HH2 TRP A 14 -9.828 0.009 16.128 1.00 11.42 H new ATOM 221 N HIS A 15 -12.194 0.988 9.519 1.00 43.10 N ATOM 222 CA HIS A 15 -13.578 0.912 10.069 1.00 45.31 C ATOM 223 C HIS A 15 -14.363 -0.285 9.461 1.00 23.01 C ATOM 224 O HIS A 15 -15.175 -0.926 10.145 1.00 2.31 O ATOM 225 CB HIS A 15 -14.319 2.256 9.815 1.00 50.31 C ATOM 226 CG HIS A 15 -15.761 2.287 10.272 1.00 54.44 C ATOM 227 ND1 HIS A 15 -16.131 2.299 11.597 1.00 73.23 N ATOM 228 CD2 HIS A 15 -16.922 2.286 9.569 1.00 22.51 C ATOM 229 CE1 HIS A 15 -17.443 2.306 11.690 1.00 22.44 C ATOM 230 NE2 HIS A 15 -17.951 2.295 10.479 1.00 22.51 N ATOM 0 H HIS A 15 -12.003 1.853 9.013 1.00 43.10 H new ATOM 0 HA HIS A 15 -13.516 0.743 11.144 1.00 45.31 H new ATOM 0 HB2 HIS A 15 -13.776 3.054 10.321 1.00 50.31 H new ATOM 0 HB3 HIS A 15 -14.287 2.475 8.748 1.00 50.31 H new ATOM 0 HD2 HIS A 15 -17.019 2.279 8.493 1.00 22.51 H new ATOM 0 HE1 HIS A 15 -18.009 2.319 12.610 1.00 22.44 H new ATOM 0 HE2 HIS A 15 -18.945 2.293 10.252 1.00 22.51 H new ATOM 239 N ALA A 16 -14.095 -0.566 8.173 1.00 42.05 N ATOM 240 CA ALA A 16 -14.655 -1.737 7.455 1.00 23.15 C ATOM 241 C ALA A 16 -14.179 -3.083 8.071 1.00 13.31 C ATOM 242 O ALA A 16 -14.909 -4.078 8.048 1.00 0.34 O ATOM 243 CB ALA A 16 -14.265 -1.671 5.972 1.00 15.35 C ATOM 0 H ALA A 16 -13.483 0.011 7.595 1.00 42.05 H new ATOM 0 HA ALA A 16 -15.740 -1.699 7.555 1.00 23.15 H new ATOM 0 HB1 ALA A 16 -14.678 -2.533 5.448 1.00 15.35 H new ATOM 0 HB2 ALA A 16 -14.660 -0.755 5.532 1.00 15.35 H new ATOM 0 HB3 ALA A 16 -13.179 -1.678 5.881 1.00 15.35 H new ATOM 249 N LEU A 17 -12.941 -3.087 8.606 1.00 12.52 N ATOM 250 CA LEU A 17 -12.317 -4.277 9.241 1.00 20.24 C ATOM 251 C LEU A 17 -12.930 -4.586 10.632 1.00 35.45 C ATOM 252 O LEU A 17 -13.000 -5.754 11.040 1.00 65.45 O ATOM 253 CB LEU A 17 -10.787 -4.056 9.368 1.00 71.34 C ATOM 254 CG LEU A 17 -10.043 -3.710 8.040 1.00 11.43 C ATOM 255 CD1 LEU A 17 -8.581 -3.299 8.311 1.00 75.32 C ATOM 256 CD2 LEU A 17 -10.141 -4.871 7.018 1.00 23.03 C ATOM 0 H LEU A 17 -12.339 -2.263 8.612 1.00 12.52 H new ATOM 0 HA LEU A 17 -12.515 -5.138 8.603 1.00 20.24 H new ATOM 0 HB2 LEU A 17 -10.612 -3.251 10.082 1.00 71.34 H new ATOM 0 HB3 LEU A 17 -10.341 -4.957 9.789 1.00 71.34 H new ATOM 0 HG LEU A 17 -10.541 -2.850 7.592 1.00 11.43 H new ATOM 0 HD11 LEU A 17 -8.088 -3.064 7.368 1.00 75.32 H new ATOM 0 HD12 LEU A 17 -8.564 -2.422 8.958 1.00 75.32 H new ATOM 0 HD13 LEU A 17 -8.057 -4.120 8.799 1.00 75.32 H new ATOM 0 HD21 LEU A 17 -9.613 -4.597 6.105 1.00 23.03 H new ATOM 0 HD22 LEU A 17 -9.691 -5.768 7.443 1.00 23.03 H new ATOM 0 HD23 LEU A 17 -11.188 -5.065 6.787 1.00 23.03 H new ATOM 268 N ASN A 18 -13.344 -3.526 11.368 1.00 31.04 N ATOM 269 CA ASN A 18 -14.066 -3.665 12.670 1.00 34.10 C ATOM 270 C ASN A 18 -15.428 -4.375 12.497 1.00 74.51 C ATOM 271 O ASN A 18 -15.885 -5.095 13.392 1.00 2.13 O ATOM 272 CB ASN A 18 -14.282 -2.280 13.342 1.00 2.53 C ATOM 273 CG ASN A 18 -12.989 -1.604 13.788 1.00 14.42 C ATOM 274 OD1 ASN A 18 -11.943 -1.749 13.172 1.00 34.35 O ATOM 275 ND2 ASN A 18 -13.051 -0.864 14.880 1.00 72.04 N ATOM 0 H ASN A 18 -13.192 -2.558 11.085 1.00 31.04 H new ATOM 0 HA ASN A 18 -13.437 -4.279 13.314 1.00 34.10 H new ATOM 0 HB2 ASN A 18 -14.801 -1.624 12.643 1.00 2.53 H new ATOM 0 HB3 ASN A 18 -14.933 -2.404 14.207 1.00 2.53 H new ATOM 0 HD21 ASN A 18 -12.213 -0.397 15.228 1.00 72.04 H new ATOM 0 HD22 ASN A 18 -13.936 -0.759 15.375 1.00 72.04 H new ATOM 282 N GLU A 19 -16.073 -4.147 11.342 1.00 43.53 N ATOM 283 CA GLU A 19 -17.303 -4.860 10.947 1.00 30.15 C ATOM 284 C GLU A 19 -16.961 -6.298 10.491 1.00 23.34 C ATOM 285 O GLU A 19 -17.490 -7.282 11.029 1.00 23.45 O ATOM 286 CB GLU A 19 -18.024 -4.077 9.809 1.00 43.51 C ATOM 287 CG GLU A 19 -19.245 -4.781 9.168 1.00 62.41 C ATOM 288 CD GLU A 19 -20.399 -5.078 10.148 1.00 53.22 C ATOM 289 OE1 GLU A 19 -21.223 -4.170 10.405 1.00 62.44 O ATOM 290 OE2 GLU A 19 -20.496 -6.224 10.653 1.00 41.01 O ATOM 0 H GLU A 19 -15.758 -3.463 10.654 1.00 43.53 H new ATOM 0 HA GLU A 19 -17.973 -4.923 11.804 1.00 30.15 H new ATOM 0 HB2 GLU A 19 -18.351 -3.116 10.207 1.00 43.51 H new ATOM 0 HB3 GLU A 19 -17.298 -3.866 9.024 1.00 43.51 H new ATOM 0 HG2 GLU A 19 -19.624 -4.158 8.358 1.00 62.41 H new ATOM 0 HG3 GLU A 19 -18.915 -5.718 8.721 1.00 62.41 H new ATOM 297 N ALA A 20 -16.036 -6.395 9.521 1.00 65.25 N ATOM 298 CA ALA A 20 -15.696 -7.659 8.849 1.00 2.12 C ATOM 299 C ALA A 20 -14.255 -7.617 8.292 1.00 54.32 C ATOM 300 O ALA A 20 -14.005 -7.019 7.237 1.00 13.02 O ATOM 301 CB ALA A 20 -16.713 -7.943 7.727 1.00 11.25 C ATOM 0 H ALA A 20 -15.502 -5.596 9.180 1.00 65.25 H new ATOM 0 HA ALA A 20 -15.744 -8.468 9.578 1.00 2.12 H new ATOM 0 HB1 ALA A 20 -16.457 -8.880 7.232 1.00 11.25 H new ATOM 0 HB2 ALA A 20 -17.713 -8.019 8.153 1.00 11.25 H new ATOM 0 HB3 ALA A 20 -16.689 -7.131 7.000 1.00 11.25 H new ATOM 307 N ASP A 21 -13.304 -8.212 9.031 1.00 20.33 N ATOM 308 CA ASP A 21 -11.913 -8.378 8.559 1.00 72.14 C ATOM 309 C ASP A 21 -11.746 -9.758 7.886 1.00 74.21 C ATOM 310 O ASP A 21 -12.433 -10.725 8.244 1.00 22.04 O ATOM 311 CB ASP A 21 -10.913 -8.178 9.724 1.00 72.12 C ATOM 312 CG ASP A 21 -10.966 -9.266 10.814 1.00 13.13 C ATOM 313 OD1 ASP A 21 -12.020 -9.410 11.467 1.00 72.25 O ATOM 314 OD2 ASP A 21 -9.945 -9.958 11.042 1.00 52.11 O ATOM 0 H ASP A 21 -13.472 -8.589 9.964 1.00 20.33 H new ATOM 0 HA ASP A 21 -11.694 -7.614 7.813 1.00 72.14 H new ATOM 0 HB2 ASP A 21 -9.903 -8.142 9.315 1.00 72.12 H new ATOM 0 HB3 ASP A 21 -11.105 -7.210 10.187 1.00 72.12 H new ATOM 319 N GLY A 22 -10.827 -9.848 6.925 1.00 25.44 N ATOM 320 CA GLY A 22 -10.757 -11.009 6.028 1.00 14.31 C ATOM 321 C GLY A 22 -11.576 -10.767 4.767 1.00 23.34 C ATOM 322 O GLY A 22 -12.572 -11.452 4.498 1.00 61.33 O ATOM 0 H GLY A 22 -10.121 -9.134 6.745 1.00 25.44 H new ATOM 0 HA2 GLY A 22 -9.719 -11.206 5.761 1.00 14.31 H new ATOM 0 HA3 GLY A 22 -11.127 -11.895 6.543 1.00 14.31 H new ATOM 326 N ILE A 23 -11.143 -9.753 4.005 1.00 22.12 N ATOM 327 CA ILE A 23 -11.834 -9.260 2.804 1.00 12.14 C ATOM 328 C ILE A 23 -10.786 -8.797 1.752 1.00 15.32 C ATOM 329 O ILE A 23 -9.893 -7.993 2.059 1.00 70.25 O ATOM 330 CB ILE A 23 -12.853 -8.109 3.183 1.00 22.10 C ATOM 331 CG1 ILE A 23 -13.580 -7.548 1.918 1.00 73.53 C ATOM 332 CG2 ILE A 23 -12.171 -6.978 4.000 1.00 64.10 C ATOM 333 CD1 ILE A 23 -14.677 -6.527 2.201 1.00 33.41 C ATOM 0 H ILE A 23 -10.285 -9.242 4.210 1.00 22.12 H new ATOM 0 HA ILE A 23 -12.419 -10.066 2.360 1.00 12.14 H new ATOM 0 HB ILE A 23 -13.613 -8.552 3.826 1.00 22.10 H new ATOM 0 HG12 ILE A 23 -12.838 -7.089 1.265 1.00 73.53 H new ATOM 0 HG13 ILE A 23 -14.015 -8.383 1.368 1.00 73.53 H new ATOM 0 HG21 ILE A 23 -12.905 -6.209 4.239 1.00 64.10 H new ATOM 0 HG22 ILE A 23 -11.764 -7.391 4.923 1.00 64.10 H new ATOM 0 HG23 ILE A 23 -11.365 -6.540 3.412 1.00 64.10 H new ATOM 0 HD11 ILE A 23 -15.120 -6.199 1.261 1.00 33.41 H new ATOM 0 HD12 ILE A 23 -15.446 -6.983 2.825 1.00 33.41 H new ATOM 0 HD13 ILE A 23 -14.250 -5.669 2.720 1.00 33.41 H new ATOM 345 N SER A 24 -10.888 -9.357 0.521 1.00 3.13 N ATOM 346 CA SER A 24 -9.933 -9.101 -0.593 1.00 12.12 C ATOM 347 C SER A 24 -9.827 -7.597 -0.934 1.00 13.32 C ATOM 348 O SER A 24 -10.820 -6.874 -0.812 1.00 63.23 O ATOM 349 CB SER A 24 -10.377 -9.887 -1.850 1.00 62.22 C ATOM 350 OG SER A 24 -10.453 -11.285 -1.604 1.00 22.21 O ATOM 0 H SER A 24 -11.637 -10.002 0.269 1.00 3.13 H new ATOM 0 HA SER A 24 -8.949 -9.437 -0.267 1.00 12.12 H new ATOM 0 HB2 SER A 24 -11.350 -9.523 -2.180 1.00 62.22 H new ATOM 0 HB3 SER A 24 -9.674 -9.699 -2.662 1.00 62.22 H new ATOM 0 HG SER A 24 -10.738 -11.746 -2.421 1.00 22.21 H new ATOM 356 N ILE A 25 -8.635 -7.153 -1.408 1.00 33.23 N ATOM 357 CA ILE A 25 -8.343 -5.714 -1.657 1.00 30.21 C ATOM 358 C ILE A 25 -9.400 -5.013 -2.594 1.00 15.32 C ATOM 359 O ILE A 25 -9.879 -3.943 -2.231 1.00 34.05 O ATOM 360 CB ILE A 25 -6.879 -5.465 -2.228 1.00 34.24 C ATOM 361 CG1 ILE A 25 -5.806 -6.188 -1.357 1.00 40.51 C ATOM 362 CG2 ILE A 25 -6.570 -3.947 -2.322 1.00 34.21 C ATOM 363 CD1 ILE A 25 -4.354 -5.942 -1.753 1.00 51.23 C ATOM 0 H ILE A 25 -7.855 -7.773 -1.627 1.00 33.23 H new ATOM 0 HA ILE A 25 -8.411 -5.256 -0.670 1.00 30.21 H new ATOM 0 HB ILE A 25 -6.840 -5.885 -3.233 1.00 34.24 H new ATOM 0 HG12 ILE A 25 -5.938 -5.878 -0.320 1.00 40.51 H new ATOM 0 HG13 ILE A 25 -5.997 -7.261 -1.395 1.00 40.51 H new ATOM 0 HG21 ILE A 25 -5.563 -3.804 -2.715 1.00 34.21 H new ATOM 0 HG22 ILE A 25 -7.290 -3.470 -2.986 1.00 34.21 H new ATOM 0 HG23 ILE A 25 -6.639 -3.500 -1.330 1.00 34.21 H new ATOM 0 HD11 ILE A 25 -3.695 -6.492 -1.081 1.00 51.23 H new ATOM 0 HD12 ILE A 25 -4.194 -6.281 -2.777 1.00 51.23 H new ATOM 0 HD13 ILE A 25 -4.134 -4.877 -1.685 1.00 51.23 H new ATOM 375 N PRO A 26 -9.811 -5.591 -3.799 1.00 70.10 N ATOM 376 CA PRO A 26 -10.812 -4.928 -4.693 1.00 52.31 C ATOM 377 C PRO A 26 -12.288 -4.994 -4.184 1.00 21.13 C ATOM 378 O PRO A 26 -13.107 -4.139 -4.542 1.00 74.54 O ATOM 379 CB PRO A 26 -10.637 -5.689 -6.033 1.00 73.15 C ATOM 380 CG PRO A 26 -10.217 -7.066 -5.624 1.00 62.13 C ATOM 381 CD PRO A 26 -9.319 -6.867 -4.411 1.00 21.14 C ATOM 0 HA PRO A 26 -10.633 -3.855 -4.758 1.00 52.31 H new ATOM 0 HB2 PRO A 26 -11.566 -5.709 -6.603 1.00 73.15 H new ATOM 0 HB3 PRO A 26 -9.886 -5.215 -6.664 1.00 73.15 H new ATOM 0 HG2 PRO A 26 -11.080 -7.684 -5.377 1.00 62.13 H new ATOM 0 HG3 PRO A 26 -9.684 -7.570 -6.430 1.00 62.13 H new ATOM 0 HD2 PRO A 26 -9.400 -7.701 -3.714 1.00 21.14 H new ATOM 0 HD3 PRO A 26 -8.270 -6.793 -4.699 1.00 21.14 H new ATOM 389 N GLU A 27 -12.602 -5.994 -3.340 1.00 22.03 N ATOM 390 CA GLU A 27 -13.948 -6.160 -2.726 1.00 30.31 C ATOM 391 C GLU A 27 -14.153 -5.060 -1.664 1.00 30.22 C ATOM 392 O GLU A 27 -15.185 -4.383 -1.585 1.00 23.41 O ATOM 393 CB GLU A 27 -14.026 -7.566 -2.068 1.00 12.33 C ATOM 394 CG GLU A 27 -15.385 -7.936 -1.426 1.00 30.22 C ATOM 395 CD GLU A 27 -16.553 -8.014 -2.422 1.00 44.13 C ATOM 396 OE1 GLU A 27 -16.458 -8.784 -3.408 1.00 50.05 O ATOM 397 OE2 GLU A 27 -17.576 -7.317 -2.229 1.00 70.42 O ATOM 0 H GLU A 27 -11.936 -6.713 -3.060 1.00 22.03 H new ATOM 0 HA GLU A 27 -14.728 -6.073 -3.482 1.00 30.31 H new ATOM 0 HB2 GLU A 27 -13.788 -8.314 -2.824 1.00 12.33 H new ATOM 0 HB3 GLU A 27 -13.254 -7.631 -1.301 1.00 12.33 H new ATOM 0 HG2 GLU A 27 -15.286 -8.898 -0.923 1.00 30.22 H new ATOM 0 HG3 GLU A 27 -15.625 -7.199 -0.660 1.00 30.22 H new ATOM 404 N LEU A 28 -13.096 -4.917 -0.871 1.00 24.45 N ATOM 405 CA LEU A 28 -12.922 -3.887 0.155 1.00 4.30 C ATOM 406 C LEU A 28 -12.842 -2.470 -0.471 1.00 42.32 C ATOM 407 O LEU A 28 -13.424 -1.521 0.052 1.00 41.42 O ATOM 408 CB LEU A 28 -11.621 -4.260 0.908 1.00 72.52 C ATOM 409 CG LEU A 28 -11.131 -3.327 2.038 1.00 71.21 C ATOM 410 CD1 LEU A 28 -12.176 -3.178 3.168 1.00 51.13 C ATOM 411 CD2 LEU A 28 -9.762 -3.830 2.563 1.00 13.30 C ATOM 0 H LEU A 28 -12.296 -5.547 -0.927 1.00 24.45 H new ATOM 0 HA LEU A 28 -13.773 -3.853 0.836 1.00 4.30 H new ATOM 0 HB2 LEU A 28 -11.758 -5.254 1.334 1.00 72.52 H new ATOM 0 HB3 LEU A 28 -10.822 -4.337 0.171 1.00 72.52 H new ATOM 0 HG LEU A 28 -10.999 -2.325 1.631 1.00 71.21 H new ATOM 0 HD11 LEU A 28 -11.786 -2.513 3.939 1.00 51.13 H new ATOM 0 HD12 LEU A 28 -13.096 -2.760 2.760 1.00 51.13 H new ATOM 0 HD13 LEU A 28 -12.383 -4.156 3.603 1.00 51.13 H new ATOM 0 HD21 LEU A 28 -9.414 -3.173 3.360 1.00 13.30 H new ATOM 0 HD22 LEU A 28 -9.871 -4.843 2.949 1.00 13.30 H new ATOM 0 HD23 LEU A 28 -9.037 -3.828 1.749 1.00 13.30 H new ATOM 423 N ALA A 29 -12.134 -2.368 -1.617 1.00 23.04 N ATOM 424 CA ALA A 29 -11.933 -1.095 -2.362 1.00 61.33 C ATOM 425 C ALA A 29 -13.261 -0.504 -2.881 1.00 22.41 C ATOM 426 O ALA A 29 -13.453 0.708 -2.854 1.00 21.13 O ATOM 427 CB ALA A 29 -10.962 -1.305 -3.538 1.00 11.53 C ATOM 0 H ALA A 29 -11.681 -3.169 -2.058 1.00 23.04 H new ATOM 0 HA ALA A 29 -11.505 -0.381 -1.658 1.00 61.33 H new ATOM 0 HB1 ALA A 29 -10.827 -0.364 -4.071 1.00 11.53 H new ATOM 0 HB2 ALA A 29 -10.000 -1.648 -3.158 1.00 11.53 H new ATOM 0 HB3 ALA A 29 -11.371 -2.052 -4.218 1.00 11.53 H new ATOM 433 N ARG A 30 -14.160 -1.382 -3.354 1.00 62.12 N ATOM 434 CA ARG A 30 -15.496 -0.987 -3.854 1.00 14.11 C ATOM 435 C ARG A 30 -16.406 -0.515 -2.693 1.00 15.13 C ATOM 436 O ARG A 30 -17.159 0.457 -2.836 1.00 53.42 O ATOM 437 CB ARG A 30 -16.144 -2.169 -4.622 1.00 44.24 C ATOM 438 CG ARG A 30 -17.571 -1.890 -5.157 1.00 30.01 C ATOM 439 CD ARG A 30 -18.132 -3.052 -5.994 1.00 63.44 C ATOM 440 NE ARG A 30 -18.142 -4.323 -5.247 1.00 10.14 N ATOM 441 CZ ARG A 30 -17.695 -5.474 -5.694 1.00 75.04 C ATOM 442 NH1 ARG A 30 -17.154 -5.584 -6.870 1.00 72.41 N ATOM 443 NH2 ARG A 30 -17.782 -6.511 -4.945 1.00 71.42 N ATOM 0 H ARG A 30 -13.986 -2.386 -3.403 1.00 62.12 H new ATOM 0 HA ARG A 30 -15.377 -0.148 -4.540 1.00 14.11 H new ATOM 0 HB2 ARG A 30 -15.502 -2.435 -5.462 1.00 44.24 H new ATOM 0 HB3 ARG A 30 -16.181 -3.036 -3.962 1.00 44.24 H new ATOM 0 HG2 ARG A 30 -18.238 -1.699 -4.317 1.00 30.01 H new ATOM 0 HG3 ARG A 30 -17.556 -0.985 -5.764 1.00 30.01 H new ATOM 0 HD2 ARG A 30 -19.146 -2.812 -6.312 1.00 63.44 H new ATOM 0 HD3 ARG A 30 -17.534 -3.168 -6.898 1.00 63.44 H new ATOM 0 HE ARG A 30 -18.529 -4.307 -4.303 1.00 10.14 H new ATOM 0 HH11 ARG A 30 -17.068 -4.764 -7.471 1.00 72.41 H new ATOM 0 HH12 ARG A 30 -16.815 -6.490 -7.193 1.00 72.41 H new ATOM 0 HH21 ARG A 30 -18.194 -6.435 -4.015 1.00 71.42 H new ATOM 0 HH22 ARG A 30 -17.439 -7.412 -5.279 1.00 71.42 H new ATOM 457 N LYS A 31 -16.303 -1.216 -1.544 1.00 55.14 N ATOM 458 CA LYS A 31 -17.018 -0.856 -0.298 1.00 70.43 C ATOM 459 C LYS A 31 -16.640 0.570 0.185 1.00 44.34 C ATOM 460 O LYS A 31 -17.512 1.415 0.424 1.00 11.12 O ATOM 461 CB LYS A 31 -16.699 -1.908 0.803 1.00 11.45 C ATOM 462 CG LYS A 31 -17.259 -1.563 2.199 1.00 53.24 C ATOM 463 CD LYS A 31 -17.004 -2.663 3.257 1.00 51.22 C ATOM 464 CE LYS A 31 -17.730 -3.979 2.927 1.00 61.05 C ATOM 465 NZ LYS A 31 -19.200 -3.790 2.776 1.00 42.24 N ATOM 0 H LYS A 31 -15.721 -2.049 -1.453 1.00 55.14 H new ATOM 0 HA LYS A 31 -18.089 -0.855 -0.502 1.00 70.43 H new ATOM 0 HB2 LYS A 31 -17.100 -2.873 0.493 1.00 11.45 H new ATOM 0 HB3 LYS A 31 -15.617 -2.021 0.877 1.00 11.45 H new ATOM 0 HG2 LYS A 31 -16.810 -0.630 2.541 1.00 53.24 H new ATOM 0 HG3 LYS A 31 -18.332 -1.390 2.118 1.00 53.24 H new ATOM 0 HD2 LYS A 31 -15.933 -2.851 3.329 1.00 51.22 H new ATOM 0 HD3 LYS A 31 -17.332 -2.306 4.233 1.00 51.22 H new ATOM 0 HE2 LYS A 31 -17.323 -4.395 2.006 1.00 61.05 H new ATOM 0 HE3 LYS A 31 -17.538 -4.705 3.717 1.00 61.05 H new ATOM 0 HZ1 LYS A 31 -19.668 -4.718 2.741 1.00 42.24 H new ATOM 0 HZ2 LYS A 31 -19.565 -3.249 3.586 1.00 42.24 H new ATOM 0 HZ3 LYS A 31 -19.395 -3.271 1.896 1.00 42.24 H new ATOM 479 N VAL A 32 -15.325 0.823 0.304 1.00 21.24 N ATOM 480 CA VAL A 32 -14.784 2.125 0.757 1.00 53.45 C ATOM 481 C VAL A 32 -14.632 3.135 -0.418 1.00 63.34 C ATOM 482 O VAL A 32 -14.188 4.269 -0.214 1.00 22.11 O ATOM 483 CB VAL A 32 -13.413 1.923 1.511 1.00 72.14 C ATOM 484 CG1 VAL A 32 -13.593 0.970 2.723 1.00 1.52 C ATOM 485 CG2 VAL A 32 -12.297 1.415 0.561 1.00 24.20 C ATOM 0 H VAL A 32 -14.604 0.134 0.090 1.00 21.24 H new ATOM 0 HA VAL A 32 -15.504 2.554 1.454 1.00 53.45 H new ATOM 0 HB VAL A 32 -13.095 2.897 1.882 1.00 72.14 H new ATOM 0 HG11 VAL A 32 -12.637 0.843 3.231 1.00 1.52 H new ATOM 0 HG12 VAL A 32 -14.318 1.396 3.416 1.00 1.52 H new ATOM 0 HG13 VAL A 32 -13.950 0.001 2.374 1.00 1.52 H new ATOM 0 HG21 VAL A 32 -11.371 1.290 1.122 1.00 24.20 H new ATOM 0 HG22 VAL A 32 -12.593 0.458 0.131 1.00 24.20 H new ATOM 0 HG23 VAL A 32 -12.142 2.140 -0.238 1.00 24.20 H new ATOM 495 N ASN A 33 -15.011 2.697 -1.646 1.00 73.14 N ATOM 496 CA ASN A 33 -15.031 3.530 -2.890 1.00 4.23 C ATOM 497 C ASN A 33 -13.635 4.063 -3.323 1.00 12.32 C ATOM 498 O ASN A 33 -13.543 4.948 -4.181 1.00 11.12 O ATOM 499 CB ASN A 33 -16.070 4.681 -2.762 1.00 71.11 C ATOM 500 CG ASN A 33 -17.504 4.155 -2.689 1.00 44.43 C ATOM 501 OD1 ASN A 33 -18.196 4.052 -3.699 1.00 71.32 O ATOM 502 ND2 ASN A 33 -17.948 3.784 -1.506 1.00 40.24 N ATOM 0 H ASN A 33 -15.318 1.738 -1.809 1.00 73.14 H new ATOM 0 HA ASN A 33 -15.339 2.863 -3.695 1.00 4.23 H new ATOM 0 HB2 ASN A 33 -15.853 5.267 -1.869 1.00 71.11 H new ATOM 0 HB3 ASN A 33 -15.974 5.353 -3.615 1.00 71.11 H new ATOM 0 HD21 ASN A 33 -18.888 3.400 -1.412 1.00 40.24 H new ATOM 0 HD22 ASN A 33 -17.352 3.881 -0.684 1.00 40.24 H new ATOM 509 N LEU A 34 -12.553 3.494 -2.759 1.00 63.33 N ATOM 510 CA LEU A 34 -11.160 3.835 -3.141 1.00 63.42 C ATOM 511 C LEU A 34 -10.678 2.899 -4.275 1.00 12.25 C ATOM 512 O LEU A 34 -11.257 1.830 -4.489 1.00 23.21 O ATOM 513 CB LEU A 34 -10.215 3.698 -1.912 1.00 30.32 C ATOM 514 CG LEU A 34 -10.624 4.479 -0.618 1.00 30.11 C ATOM 515 CD1 LEU A 34 -9.603 4.244 0.522 1.00 1.14 C ATOM 516 CD2 LEU A 34 -10.829 5.984 -0.897 1.00 23.42 C ATOM 0 H LEU A 34 -12.614 2.786 -2.027 1.00 63.33 H new ATOM 0 HA LEU A 34 -11.138 4.867 -3.492 1.00 63.42 H new ATOM 0 HB2 LEU A 34 -10.136 2.640 -1.660 1.00 30.32 H new ATOM 0 HB3 LEU A 34 -9.220 4.030 -2.209 1.00 30.32 H new ATOM 0 HG LEU A 34 -11.585 4.084 -0.288 1.00 30.11 H new ATOM 0 HD11 LEU A 34 -9.913 4.799 1.408 1.00 1.14 H new ATOM 0 HD12 LEU A 34 -9.558 3.181 0.757 1.00 1.14 H new ATOM 0 HD13 LEU A 34 -8.618 4.587 0.205 1.00 1.14 H new ATOM 0 HD21 LEU A 34 -11.112 6.490 0.026 1.00 23.42 H new ATOM 0 HD22 LEU A 34 -9.902 6.413 -1.277 1.00 23.42 H new ATOM 0 HD23 LEU A 34 -11.618 6.113 -1.638 1.00 23.42 H new ATOM 528 N SER A 35 -9.635 3.317 -5.013 1.00 73.21 N ATOM 529 CA SER A 35 -8.935 2.431 -5.980 1.00 23.14 C ATOM 530 C SER A 35 -8.193 1.280 -5.241 1.00 65.02 C ATOM 531 O SER A 35 -7.788 1.454 -4.092 1.00 64.40 O ATOM 532 CB SER A 35 -7.929 3.253 -6.822 1.00 44.52 C ATOM 533 OG SER A 35 -8.560 4.355 -7.457 1.00 31.01 O ATOM 0 H SER A 35 -9.253 4.261 -4.964 1.00 73.21 H new ATOM 0 HA SER A 35 -9.681 1.990 -6.641 1.00 23.14 H new ATOM 0 HB2 SER A 35 -7.125 3.613 -6.180 1.00 44.52 H new ATOM 0 HB3 SER A 35 -7.473 2.610 -7.575 1.00 44.52 H new ATOM 0 HG SER A 35 -7.898 4.855 -7.979 1.00 31.01 H new ATOM 539 N VAL A 36 -8.019 0.120 -5.914 1.00 73.42 N ATOM 540 CA VAL A 36 -7.316 -1.075 -5.348 1.00 4.20 C ATOM 541 C VAL A 36 -5.904 -0.716 -4.795 1.00 75.14 C ATOM 542 O VAL A 36 -5.539 -1.103 -3.681 1.00 43.41 O ATOM 543 CB VAL A 36 -7.201 -2.207 -6.444 1.00 23.41 C ATOM 544 CG1 VAL A 36 -6.429 -3.456 -5.936 1.00 32.05 C ATOM 545 CG2 VAL A 36 -8.602 -2.604 -6.969 1.00 44.12 C ATOM 0 H VAL A 36 -8.358 -0.023 -6.865 1.00 73.42 H new ATOM 0 HA VAL A 36 -7.911 -1.439 -4.511 1.00 4.20 H new ATOM 0 HB VAL A 36 -6.620 -1.792 -7.267 1.00 23.41 H new ATOM 0 HG11 VAL A 36 -6.380 -4.201 -6.730 1.00 32.05 H new ATOM 0 HG12 VAL A 36 -5.418 -3.167 -5.648 1.00 32.05 H new ATOM 0 HG13 VAL A 36 -6.946 -3.877 -5.074 1.00 32.05 H new ATOM 0 HG21 VAL A 36 -8.500 -3.385 -7.723 1.00 44.12 H new ATOM 0 HG22 VAL A 36 -9.209 -2.974 -6.143 1.00 44.12 H new ATOM 0 HG23 VAL A 36 -9.085 -1.733 -7.412 1.00 44.12 H new ATOM 555 N GLU A 37 -5.139 0.037 -5.601 1.00 60.30 N ATOM 556 CA GLU A 37 -3.806 0.572 -5.212 1.00 65.44 C ATOM 557 C GLU A 37 -3.883 1.495 -3.965 1.00 10.24 C ATOM 558 O GLU A 37 -3.067 1.377 -3.050 1.00 74.43 O ATOM 559 CB GLU A 37 -3.201 1.342 -6.407 1.00 50.04 C ATOM 560 CG GLU A 37 -3.057 0.493 -7.681 1.00 60.32 C ATOM 561 CD GLU A 37 -2.619 1.297 -8.915 1.00 14.33 C ATOM 562 OE1 GLU A 37 -3.343 2.237 -9.309 1.00 41.22 O ATOM 563 OE2 GLU A 37 -1.570 0.988 -9.507 1.00 11.43 O ATOM 0 H GLU A 37 -5.420 0.298 -6.546 1.00 60.30 H new ATOM 0 HA GLU A 37 -3.169 -0.271 -4.945 1.00 65.44 H new ATOM 0 HB2 GLU A 37 -3.828 2.206 -6.626 1.00 50.04 H new ATOM 0 HB3 GLU A 37 -2.220 1.724 -6.123 1.00 50.04 H new ATOM 0 HG2 GLU A 37 -2.331 -0.299 -7.498 1.00 60.32 H new ATOM 0 HG3 GLU A 37 -4.010 0.009 -7.894 1.00 60.32 H new ATOM 570 N SER A 38 -4.888 2.399 -3.951 1.00 3.25 N ATOM 571 CA SER A 38 -5.137 3.346 -2.821 1.00 13.33 C ATOM 572 C SER A 38 -5.480 2.600 -1.509 1.00 31.21 C ATOM 573 O SER A 38 -5.075 3.022 -0.422 1.00 41.23 O ATOM 574 CB SER A 38 -6.289 4.323 -3.178 1.00 64.15 C ATOM 575 OG SER A 38 -5.954 5.145 -4.287 1.00 64.21 O ATOM 0 H SER A 38 -5.553 2.499 -4.718 1.00 3.25 H new ATOM 0 HA SER A 38 -4.216 3.907 -2.662 1.00 13.33 H new ATOM 0 HB2 SER A 38 -7.191 3.755 -3.405 1.00 64.15 H new ATOM 0 HB3 SER A 38 -6.516 4.950 -2.315 1.00 64.15 H new ATOM 0 HG SER A 38 -6.751 5.631 -4.587 1.00 64.21 H new ATOM 581 N THR A 39 -6.224 1.490 -1.642 1.00 74.40 N ATOM 582 CA THR A 39 -6.648 0.643 -0.506 1.00 43.21 C ATOM 583 C THR A 39 -5.443 -0.123 0.093 1.00 72.20 C ATOM 584 O THR A 39 -5.192 -0.036 1.292 1.00 70.05 O ATOM 585 CB THR A 39 -7.767 -0.358 -0.956 1.00 22.23 C ATOM 586 OG1 THR A 39 -8.901 0.381 -1.446 1.00 2.44 O ATOM 587 CG2 THR A 39 -8.228 -1.301 0.173 1.00 52.23 C ATOM 0 H THR A 39 -6.553 1.149 -2.546 1.00 74.40 H new ATOM 0 HA THR A 39 -7.055 1.293 0.269 1.00 43.21 H new ATOM 0 HB THR A 39 -7.337 -0.982 -1.740 1.00 22.23 H new ATOM 0 HG1 THR A 39 -8.678 0.789 -2.308 1.00 2.44 H new ATOM 0 HG21 THR A 39 -9.003 -1.968 -0.204 1.00 52.23 H new ATOM 0 HG22 THR A 39 -7.381 -1.891 0.523 1.00 52.23 H new ATOM 0 HG23 THR A 39 -8.626 -0.712 0.999 1.00 52.23 H new ATOM 595 N ALA A 40 -4.683 -0.838 -0.768 1.00 15.01 N ATOM 596 CA ALA A 40 -3.473 -1.615 -0.361 1.00 72.32 C ATOM 597 C ALA A 40 -2.379 -0.712 0.279 1.00 2.53 C ATOM 598 O ALA A 40 -1.655 -1.133 1.189 1.00 4.01 O ATOM 599 CB ALA A 40 -2.911 -2.361 -1.583 1.00 55.43 C ATOM 0 H ALA A 40 -4.885 -0.897 -1.766 1.00 15.01 H new ATOM 0 HA ALA A 40 -3.774 -2.332 0.403 1.00 72.32 H new ATOM 0 HB1 ALA A 40 -2.028 -2.929 -1.289 1.00 55.43 H new ATOM 0 HB2 ALA A 40 -3.667 -3.043 -1.973 1.00 55.43 H new ATOM 0 HB3 ALA A 40 -2.639 -1.641 -2.355 1.00 55.43 H new ATOM 605 N LEU A 41 -2.290 0.531 -0.219 1.00 13.33 N ATOM 606 CA LEU A 41 -1.362 1.570 0.293 1.00 61.34 C ATOM 607 C LEU A 41 -1.782 2.013 1.723 1.00 43.51 C ATOM 608 O LEU A 41 -0.965 2.029 2.653 1.00 54.24 O ATOM 609 CB LEU A 41 -1.373 2.786 -0.686 1.00 54.41 C ATOM 610 CG LEU A 41 -0.060 3.621 -0.863 1.00 74.31 C ATOM 611 CD1 LEU A 41 -0.343 4.840 -1.763 1.00 44.35 C ATOM 612 CD2 LEU A 41 0.580 4.049 0.480 1.00 10.34 C ATOM 0 H LEU A 41 -2.864 0.854 -0.998 1.00 13.33 H new ATOM 0 HA LEU A 41 -0.353 1.163 0.352 1.00 61.34 H new ATOM 0 HB2 LEU A 41 -1.665 2.416 -1.669 1.00 54.41 H new ATOM 0 HB3 LEU A 41 -2.157 3.468 -0.357 1.00 54.41 H new ATOM 0 HG LEU A 41 0.676 2.975 -1.343 1.00 74.31 H new ATOM 0 HD11 LEU A 41 0.571 5.421 -1.886 1.00 44.35 H new ATOM 0 HD12 LEU A 41 -0.691 4.499 -2.738 1.00 44.35 H new ATOM 0 HD13 LEU A 41 -1.110 5.463 -1.302 1.00 44.35 H new ATOM 0 HD21 LEU A 41 1.485 4.624 0.285 1.00 10.34 H new ATOM 0 HD22 LEU A 41 -0.126 4.663 1.040 1.00 10.34 H new ATOM 0 HD23 LEU A 41 0.831 3.162 1.062 1.00 10.34 H new ATOM 624 N ALA A 42 -3.077 2.366 1.861 1.00 44.32 N ATOM 625 CA ALA A 42 -3.682 2.801 3.148 1.00 52.23 C ATOM 626 C ALA A 42 -3.599 1.692 4.222 1.00 24.25 C ATOM 627 O ALA A 42 -3.515 1.971 5.420 1.00 32.24 O ATOM 628 CB ALA A 42 -5.142 3.214 2.919 1.00 3.05 C ATOM 0 H ALA A 42 -3.738 2.359 1.084 1.00 44.32 H new ATOM 0 HA ALA A 42 -3.115 3.656 3.517 1.00 52.23 H new ATOM 0 HB1 ALA A 42 -5.583 3.532 3.864 1.00 3.05 H new ATOM 0 HB2 ALA A 42 -5.180 4.037 2.206 1.00 3.05 H new ATOM 0 HB3 ALA A 42 -5.702 2.366 2.525 1.00 3.05 H new ATOM 634 N VAL A 43 -3.622 0.436 3.759 1.00 65.11 N ATOM 635 CA VAL A 43 -3.453 -0.756 4.624 1.00 63.51 C ATOM 636 C VAL A 43 -1.975 -0.905 5.082 1.00 52.51 C ATOM 637 O VAL A 43 -1.712 -1.251 6.240 1.00 42.43 O ATOM 638 CB VAL A 43 -3.965 -2.055 3.888 1.00 63.33 C ATOM 639 CG1 VAL A 43 -3.542 -3.351 4.617 1.00 41.53 C ATOM 640 CG2 VAL A 43 -5.511 -2.010 3.710 1.00 64.15 C ATOM 0 H VAL A 43 -3.758 0.209 2.774 1.00 65.11 H new ATOM 0 HA VAL A 43 -4.060 -0.620 5.519 1.00 63.51 H new ATOM 0 HB VAL A 43 -3.494 -2.071 2.905 1.00 63.33 H new ATOM 0 HG11 VAL A 43 -3.919 -4.215 4.070 1.00 41.53 H new ATOM 0 HG12 VAL A 43 -2.454 -3.401 4.669 1.00 41.53 H new ATOM 0 HG13 VAL A 43 -3.954 -3.352 5.626 1.00 41.53 H new ATOM 0 HG21 VAL A 43 -5.845 -2.914 3.201 1.00 64.15 H new ATOM 0 HG22 VAL A 43 -5.988 -1.947 4.688 1.00 64.15 H new ATOM 0 HG23 VAL A 43 -5.784 -1.137 3.116 1.00 64.15 H new ATOM 650 N GLY A 44 -1.023 -0.611 4.171 1.00 54.21 N ATOM 651 CA GLY A 44 0.413 -0.567 4.516 1.00 73.41 C ATOM 652 C GLY A 44 0.752 0.544 5.526 1.00 52.51 C ATOM 653 O GLY A 44 1.715 0.435 6.299 1.00 43.35 O ATOM 0 H GLY A 44 -1.223 -0.401 3.193 1.00 54.21 H new ATOM 0 HA2 GLY A 44 0.712 -1.530 4.929 1.00 73.41 H new ATOM 0 HA3 GLY A 44 0.995 -0.415 3.607 1.00 73.41 H new ATOM 657 N TRP A 45 -0.060 1.617 5.499 1.00 2.32 N ATOM 658 CA TRP A 45 0.001 2.727 6.473 1.00 1.01 C ATOM 659 C TRP A 45 -0.490 2.273 7.877 1.00 42.00 C ATOM 660 O TRP A 45 0.102 2.631 8.897 1.00 2.55 O ATOM 661 CB TRP A 45 -0.852 3.907 5.939 1.00 72.52 C ATOM 662 CG TRP A 45 -0.884 5.130 6.828 1.00 61.44 C ATOM 663 CD1 TRP A 45 -1.923 5.565 7.604 1.00 4.21 C ATOM 664 CD2 TRP A 45 0.181 6.066 7.034 1.00 51.22 C ATOM 665 NE1 TRP A 45 -1.573 6.721 8.252 1.00 43.43 N ATOM 666 CE2 TRP A 45 -0.293 7.056 7.908 1.00 23.22 C ATOM 667 CE3 TRP A 45 1.477 6.176 6.537 1.00 55.34 C ATOM 668 CZ2 TRP A 45 0.493 8.130 8.317 1.00 52.42 C ATOM 669 CZ3 TRP A 45 2.259 7.244 6.942 1.00 21.23 C ATOM 670 CH2 TRP A 45 1.760 8.217 7.814 1.00 13.12 C ATOM 0 H TRP A 45 -0.786 1.741 4.793 1.00 2.32 H new ATOM 0 HA TRP A 45 1.036 3.049 6.588 1.00 1.01 H new ATOM 0 HB2 TRP A 45 -0.469 4.198 4.961 1.00 72.52 H new ATOM 0 HB3 TRP A 45 -1.874 3.558 5.791 1.00 72.52 H new ATOM 0 HD1 TRP A 45 -2.879 5.070 7.693 1.00 4.21 H new ATOM 0 HE1 TRP A 45 -2.172 7.247 8.889 1.00 43.43 H new ATOM 0 HE3 TRP A 45 1.865 5.441 5.848 1.00 55.34 H new ATOM 0 HZ2 TRP A 45 0.114 8.869 9.008 1.00 52.42 H new ATOM 0 HZ3 TRP A 45 3.272 7.327 6.578 1.00 21.23 H new ATOM 0 HH2 TRP A 45 2.387 9.051 8.094 1.00 13.12 H new ATOM 681 N LEU A 46 -1.577 1.478 7.910 1.00 13.20 N ATOM 682 CA LEU A 46 -2.124 0.883 9.163 1.00 33.14 C ATOM 683 C LEU A 46 -1.150 -0.162 9.773 1.00 51.42 C ATOM 684 O LEU A 46 -1.062 -0.311 11.002 1.00 62.53 O ATOM 685 CB LEU A 46 -3.500 0.229 8.864 1.00 12.23 C ATOM 686 CG LEU A 46 -4.632 1.210 8.417 1.00 51.23 C ATOM 687 CD1 LEU A 46 -5.855 0.450 7.858 1.00 31.24 C ATOM 688 CD2 LEU A 46 -5.033 2.158 9.576 1.00 63.25 C ATOM 0 H LEU A 46 -2.106 1.226 7.075 1.00 13.20 H new ATOM 0 HA LEU A 46 -2.247 1.680 9.897 1.00 33.14 H new ATOM 0 HB2 LEU A 46 -3.364 -0.520 8.084 1.00 12.23 H new ATOM 0 HB3 LEU A 46 -3.833 -0.299 9.758 1.00 12.23 H new ATOM 0 HG LEU A 46 -4.238 1.823 7.606 1.00 51.23 H new ATOM 0 HD11 LEU A 46 -6.621 1.165 7.558 1.00 31.24 H new ATOM 0 HD12 LEU A 46 -5.552 -0.142 6.994 1.00 31.24 H new ATOM 0 HD13 LEU A 46 -6.256 -0.210 8.627 1.00 31.24 H new ATOM 0 HD21 LEU A 46 -5.822 2.831 9.240 1.00 63.25 H new ATOM 0 HD22 LEU A 46 -5.393 1.569 10.420 1.00 63.25 H new ATOM 0 HD23 LEU A 46 -4.166 2.742 9.885 1.00 63.25 H new ATOM 700 N ALA A 47 -0.434 -0.885 8.885 1.00 2.33 N ATOM 701 CA ALA A 47 0.601 -1.887 9.258 1.00 31.35 C ATOM 702 C ALA A 47 1.753 -1.292 10.115 1.00 51.22 C ATOM 703 O ALA A 47 2.379 -2.025 10.898 1.00 1.14 O ATOM 704 CB ALA A 47 1.167 -2.550 7.988 1.00 42.02 C ATOM 0 H ALA A 47 -0.556 -0.792 7.877 1.00 2.33 H new ATOM 0 HA ALA A 47 0.109 -2.633 9.882 1.00 31.35 H new ATOM 0 HB1 ALA A 47 1.924 -3.283 8.267 1.00 42.02 H new ATOM 0 HB2 ALA A 47 0.362 -3.048 7.448 1.00 42.02 H new ATOM 0 HB3 ALA A 47 1.616 -1.789 7.350 1.00 42.02 H new ATOM 710 N ARG A 48 2.027 0.032 9.961 1.00 30.13 N ATOM 711 CA ARG A 48 3.100 0.732 10.731 1.00 32.04 C ATOM 712 C ARG A 48 2.878 0.640 12.265 1.00 2.42 C ATOM 713 O ARG A 48 3.835 0.614 13.046 1.00 4.33 O ATOM 714 CB ARG A 48 3.211 2.230 10.307 1.00 21.32 C ATOM 715 CG ARG A 48 2.281 3.231 11.043 1.00 74.22 C ATOM 716 CD ARG A 48 2.396 4.679 10.521 1.00 34.24 C ATOM 717 NE ARG A 48 1.575 5.616 11.317 1.00 12.13 N ATOM 718 CZ ARG A 48 0.280 5.794 11.192 1.00 32.00 C ATOM 719 NH1 ARG A 48 -0.435 5.048 10.409 1.00 22.40 N ATOM 720 NH2 ARG A 48 -0.313 6.693 11.907 1.00 13.52 N ATOM 0 H ARG A 48 1.523 0.637 9.313 1.00 30.13 H new ATOM 0 HA ARG A 48 4.033 0.221 10.493 1.00 32.04 H new ATOM 0 HB2 ARG A 48 4.242 2.551 10.455 1.00 21.32 H new ATOM 0 HB3 ARG A 48 3.007 2.298 9.238 1.00 21.32 H new ATOM 0 HG2 ARG A 48 1.248 2.898 10.940 1.00 74.22 H new ATOM 0 HG3 ARG A 48 2.516 3.217 12.107 1.00 74.22 H new ATOM 0 HD2 ARG A 48 3.439 4.994 10.550 1.00 34.24 H new ATOM 0 HD3 ARG A 48 2.081 4.716 9.478 1.00 34.24 H new ATOM 0 HE ARG A 48 2.056 6.172 12.024 1.00 12.13 H new ATOM 0 HH11 ARG A 48 0.007 4.302 9.872 1.00 22.40 H new ATOM 0 HH12 ARG A 48 -1.439 5.207 10.330 1.00 22.40 H new ATOM 0 HH21 ARG A 48 0.225 7.259 12.563 1.00 13.52 H new ATOM 0 HH22 ARG A 48 -1.319 6.836 11.815 1.00 13.52 H new ATOM 734 N GLU A 49 1.595 0.601 12.665 1.00 64.42 N ATOM 735 CA GLU A 49 1.154 0.574 14.078 1.00 63.30 C ATOM 736 C GLU A 49 0.289 -0.680 14.368 1.00 14.22 C ATOM 737 O GLU A 49 -0.546 -0.679 15.278 1.00 32.41 O ATOM 738 CB GLU A 49 0.428 1.915 14.408 1.00 34.13 C ATOM 739 CG GLU A 49 -0.604 2.379 13.351 1.00 22.21 C ATOM 740 CD GLU A 49 -1.212 3.779 13.592 1.00 20.50 C ATOM 741 OE1 GLU A 49 -0.776 4.500 14.518 1.00 52.41 O ATOM 742 OE2 GLU A 49 -2.124 4.169 12.828 1.00 2.54 O ATOM 0 H GLU A 49 0.817 0.587 12.005 1.00 64.42 H new ATOM 0 HA GLU A 49 2.017 0.492 14.739 1.00 63.30 H new ATOM 0 HB2 GLU A 49 -0.079 1.809 15.367 1.00 34.13 H new ATOM 0 HB3 GLU A 49 1.178 2.697 14.529 1.00 34.13 H new ATOM 0 HG2 GLU A 49 -0.125 2.373 12.372 1.00 22.21 H new ATOM 0 HG3 GLU A 49 -1.414 1.651 13.314 1.00 22.21 H new ATOM 749 N ASN A 50 0.536 -1.747 13.569 1.00 73.22 N ATOM 750 CA ASN A 50 0.012 -3.127 13.786 1.00 23.01 C ATOM 751 C ASN A 50 -1.538 -3.229 13.759 1.00 3.22 C ATOM 752 O ASN A 50 -2.104 -4.200 14.267 1.00 74.14 O ATOM 753 CB ASN A 50 0.587 -3.733 15.106 1.00 31.24 C ATOM 754 CG ASN A 50 2.117 -3.766 15.141 1.00 51.34 C ATOM 755 OD1 ASN A 50 2.777 -3.794 14.104 1.00 14.14 O ATOM 756 ND2 ASN A 50 2.694 -3.793 16.325 1.00 21.43 N ATOM 0 H ASN A 50 1.118 -1.675 12.735 1.00 73.22 H new ATOM 0 HA ASN A 50 0.359 -3.714 12.936 1.00 23.01 H new ATOM 0 HB2 ASN A 50 0.224 -3.151 15.953 1.00 31.24 H new ATOM 0 HB3 ASN A 50 0.206 -4.747 15.228 1.00 31.24 H new ATOM 0 HD21 ASN A 50 3.711 -3.838 16.396 1.00 21.43 H new ATOM 0 HD22 ASN A 50 2.124 -3.769 17.171 1.00 21.43 H new ATOM 763 N LYS A 51 -2.205 -2.258 13.110 1.00 73.20 N ATOM 764 CA LYS A 51 -3.680 -2.213 13.028 1.00 24.22 C ATOM 765 C LYS A 51 -4.261 -3.267 12.051 1.00 22.54 C ATOM 766 O LYS A 51 -5.461 -3.564 12.102 1.00 50.44 O ATOM 767 CB LYS A 51 -4.134 -0.793 12.624 1.00 50.04 C ATOM 768 CG LYS A 51 -3.897 0.282 13.706 1.00 15.31 C ATOM 769 CD LYS A 51 -4.532 1.639 13.332 1.00 33.52 C ATOM 770 CE LYS A 51 -4.508 2.654 14.487 1.00 64.33 C ATOM 771 NZ LYS A 51 -5.196 2.156 15.704 1.00 63.51 N ATOM 0 H LYS A 51 -1.742 -1.486 12.630 1.00 73.20 H new ATOM 0 HA LYS A 51 -4.069 -2.460 14.016 1.00 24.22 H new ATOM 0 HB2 LYS A 51 -3.607 -0.500 11.716 1.00 50.04 H new ATOM 0 HB3 LYS A 51 -5.196 -0.819 12.381 1.00 50.04 H new ATOM 0 HG2 LYS A 51 -4.311 -0.062 14.654 1.00 15.31 H new ATOM 0 HG3 LYS A 51 -2.825 0.414 13.856 1.00 15.31 H new ATOM 0 HD2 LYS A 51 -4.002 2.058 12.477 1.00 33.52 H new ATOM 0 HD3 LYS A 51 -5.564 1.477 13.020 1.00 33.52 H new ATOM 0 HE2 LYS A 51 -3.473 2.894 14.732 1.00 64.33 H new ATOM 0 HE3 LYS A 51 -4.981 3.580 14.161 1.00 64.33 H new ATOM 0 HZ1 LYS A 51 -5.375 2.950 16.351 1.00 63.51 H new ATOM 0 HZ2 LYS A 51 -6.100 1.717 15.437 1.00 63.51 H new ATOM 0 HZ3 LYS A 51 -4.596 1.451 16.178 1.00 63.51 H new ATOM 785 N VAL A 52 -3.413 -3.805 11.150 1.00 63.02 N ATOM 786 CA VAL A 52 -3.804 -4.868 10.191 1.00 55.14 C ATOM 787 C VAL A 52 -2.862 -6.097 10.273 1.00 71.23 C ATOM 788 O VAL A 52 -1.685 -5.973 10.632 1.00 74.22 O ATOM 789 CB VAL A 52 -3.836 -4.335 8.703 1.00 24.33 C ATOM 790 CG1 VAL A 52 -4.914 -3.239 8.520 1.00 23.13 C ATOM 791 CG2 VAL A 52 -2.443 -3.827 8.252 1.00 62.33 C ATOM 0 H VAL A 52 -2.438 -3.517 11.064 1.00 63.02 H new ATOM 0 HA VAL A 52 -4.810 -5.176 10.477 1.00 55.14 H new ATOM 0 HB VAL A 52 -4.104 -5.176 8.063 1.00 24.33 H new ATOM 0 HG11 VAL A 52 -4.910 -2.894 7.486 1.00 23.13 H new ATOM 0 HG12 VAL A 52 -5.895 -3.649 8.762 1.00 23.13 H new ATOM 0 HG13 VAL A 52 -4.697 -2.401 9.183 1.00 23.13 H new ATOM 0 HG21 VAL A 52 -2.502 -3.468 7.224 1.00 62.33 H new ATOM 0 HG22 VAL A 52 -2.124 -3.013 8.903 1.00 62.33 H new ATOM 0 HG23 VAL A 52 -1.722 -4.642 8.311 1.00 62.33 H new ATOM 801 N VAL A 53 -3.418 -7.282 9.955 1.00 61.50 N ATOM 802 CA VAL A 53 -2.651 -8.540 9.791 1.00 61.22 C ATOM 803 C VAL A 53 -2.595 -8.902 8.282 1.00 30.13 C ATOM 804 O VAL A 53 -3.640 -9.020 7.630 1.00 21.04 O ATOM 805 CB VAL A 53 -3.300 -9.727 10.608 1.00 40.33 C ATOM 806 CG1 VAL A 53 -2.449 -11.025 10.532 1.00 61.43 C ATOM 807 CG2 VAL A 53 -3.567 -9.312 12.078 1.00 75.21 C ATOM 0 H VAL A 53 -4.420 -7.398 9.803 1.00 61.50 H new ATOM 0 HA VAL A 53 -1.644 -8.387 10.180 1.00 61.22 H new ATOM 0 HB VAL A 53 -4.259 -9.951 10.142 1.00 40.33 H new ATOM 0 HG11 VAL A 53 -2.934 -11.813 11.108 1.00 61.43 H new ATOM 0 HG12 VAL A 53 -2.358 -11.340 9.492 1.00 61.43 H new ATOM 0 HG13 VAL A 53 -1.457 -10.834 10.942 1.00 61.43 H new ATOM 0 HG21 VAL A 53 -4.014 -10.148 12.617 1.00 75.21 H new ATOM 0 HG22 VAL A 53 -2.627 -9.034 12.554 1.00 75.21 H new ATOM 0 HG23 VAL A 53 -4.249 -8.462 12.098 1.00 75.21 H new ATOM 817 N ILE A 54 -1.374 -9.068 7.733 1.00 15.54 N ATOM 818 CA ILE A 54 -1.148 -9.282 6.280 1.00 45.11 C ATOM 819 C ILE A 54 -0.827 -10.768 5.978 1.00 11.14 C ATOM 820 O ILE A 54 0.179 -11.303 6.463 1.00 13.25 O ATOM 821 CB ILE A 54 0.031 -8.365 5.763 1.00 42.45 C ATOM 822 CG1 ILE A 54 -0.297 -6.850 5.992 1.00 23.21 C ATOM 823 CG2 ILE A 54 0.379 -8.649 4.273 1.00 72.54 C ATOM 824 CD1 ILE A 54 -1.553 -6.350 5.290 1.00 33.41 C ATOM 0 H ILE A 54 -0.514 -9.058 8.281 1.00 15.54 H new ATOM 0 HA ILE A 54 -2.066 -9.013 5.757 1.00 45.11 H new ATOM 0 HB ILE A 54 0.916 -8.612 6.349 1.00 42.45 H new ATOM 0 HG12 ILE A 54 -0.403 -6.674 7.063 1.00 23.21 H new ATOM 0 HG13 ILE A 54 0.551 -6.255 5.654 1.00 23.21 H new ATOM 0 HG21 ILE A 54 1.194 -7.997 3.959 1.00 72.54 H new ATOM 0 HG22 ILE A 54 0.684 -9.690 4.163 1.00 72.54 H new ATOM 0 HG23 ILE A 54 -0.497 -8.460 3.652 1.00 72.54 H new ATOM 0 HD11 ILE A 54 -1.695 -5.292 5.509 1.00 33.41 H new ATOM 0 HD12 ILE A 54 -1.447 -6.487 4.214 1.00 33.41 H new ATOM 0 HD13 ILE A 54 -2.416 -6.913 5.644 1.00 33.41 H new ATOM 836 N GLU A 55 -1.680 -11.426 5.167 1.00 5.12 N ATOM 837 CA GLU A 55 -1.480 -12.833 4.745 1.00 51.22 C ATOM 838 C GLU A 55 -1.484 -12.959 3.202 1.00 64.42 C ATOM 839 O GLU A 55 -2.515 -12.754 2.555 1.00 15.02 O ATOM 840 CB GLU A 55 -2.567 -13.734 5.397 1.00 45.02 C ATOM 841 CG GLU A 55 -2.435 -13.858 6.934 1.00 35.45 C ATOM 842 CD GLU A 55 -3.455 -14.808 7.583 1.00 65.22 C ATOM 843 OE1 GLU A 55 -3.518 -15.991 7.175 1.00 75.21 O ATOM 844 OE2 GLU A 55 -4.191 -14.388 8.502 1.00 44.24 O ATOM 0 H GLU A 55 -2.525 -11.001 4.786 1.00 5.12 H new ATOM 0 HA GLU A 55 -0.502 -13.170 5.087 1.00 51.22 H new ATOM 0 HB2 GLU A 55 -3.551 -13.331 5.157 1.00 45.02 H new ATOM 0 HB3 GLU A 55 -2.514 -14.729 4.956 1.00 45.02 H new ATOM 0 HG2 GLU A 55 -1.430 -14.205 7.174 1.00 35.45 H new ATOM 0 HG3 GLU A 55 -2.545 -12.868 7.377 1.00 35.45 H new ATOM 851 N ARG A 56 -0.312 -13.293 2.621 1.00 3.33 N ATOM 852 CA ARG A 56 -0.171 -13.530 1.168 1.00 4.22 C ATOM 853 C ARG A 56 -0.633 -14.961 0.817 1.00 23.11 C ATOM 854 O ARG A 56 0.096 -15.939 1.003 1.00 2.54 O ATOM 855 CB ARG A 56 1.295 -13.281 0.692 1.00 14.54 C ATOM 856 CG ARG A 56 1.693 -11.788 0.616 1.00 63.51 C ATOM 857 CD ARG A 56 3.123 -11.573 0.076 1.00 71.24 C ATOM 858 NE ARG A 56 3.405 -10.140 -0.167 1.00 0.34 N ATOM 859 CZ ARG A 56 4.405 -9.451 0.346 1.00 34.02 C ATOM 860 NH1 ARG A 56 5.260 -9.990 1.162 1.00 42.21 N ATOM 861 NH2 ARG A 56 4.534 -8.206 0.038 1.00 45.51 N ATOM 0 H ARG A 56 0.558 -13.405 3.142 1.00 3.33 H new ATOM 0 HA ARG A 56 -0.808 -12.820 0.641 1.00 4.22 H new ATOM 0 HB2 ARG A 56 1.977 -13.793 1.371 1.00 14.54 H new ATOM 0 HB3 ARG A 56 1.427 -13.731 -0.292 1.00 14.54 H new ATOM 0 HG2 ARG A 56 0.986 -11.261 -0.024 1.00 63.51 H new ATOM 0 HG3 ARG A 56 1.615 -11.346 1.609 1.00 63.51 H new ATOM 0 HD2 ARG A 56 3.845 -11.971 0.789 1.00 71.24 H new ATOM 0 HD3 ARG A 56 3.250 -12.132 -0.851 1.00 71.24 H new ATOM 0 HE ARG A 56 2.768 -9.641 -0.788 1.00 0.34 H new ATOM 0 HH11 ARG A 56 5.168 -10.972 1.422 1.00 42.21 H new ATOM 0 HH12 ARG A 56 6.024 -9.431 1.543 1.00 42.21 H new ATOM 0 HH21 ARG A 56 3.867 -7.766 -0.596 1.00 45.51 H new ATOM 0 HH22 ARG A 56 5.303 -7.661 0.428 1.00 45.51 H new ATOM 875 N LYS A 57 -1.881 -15.050 0.353 1.00 63.05 N ATOM 876 CA LYS A 57 -2.534 -16.304 -0.039 1.00 33.22 C ATOM 877 C LYS A 57 -2.632 -16.378 -1.580 1.00 23.20 C ATOM 878 O LYS A 57 -3.352 -15.582 -2.190 1.00 14.04 O ATOM 879 CB LYS A 57 -3.944 -16.344 0.608 1.00 1.01 C ATOM 880 CG LYS A 57 -3.927 -16.285 2.160 1.00 12.42 C ATOM 881 CD LYS A 57 -5.311 -15.940 2.751 1.00 30.00 C ATOM 882 CE LYS A 57 -5.355 -15.982 4.288 1.00 11.32 C ATOM 883 NZ LYS A 57 -5.080 -17.335 4.835 1.00 23.52 N ATOM 0 H LYS A 57 -2.481 -14.234 0.236 1.00 63.05 H new ATOM 0 HA LYS A 57 -1.955 -17.162 0.304 1.00 33.22 H new ATOM 0 HB2 LYS A 57 -4.531 -15.507 0.229 1.00 1.01 H new ATOM 0 HB3 LYS A 57 -4.451 -17.257 0.295 1.00 1.01 H new ATOM 0 HG2 LYS A 57 -3.596 -17.246 2.554 1.00 12.42 H new ATOM 0 HG3 LYS A 57 -3.200 -15.540 2.485 1.00 12.42 H new ATOM 0 HD2 LYS A 57 -5.602 -14.945 2.415 1.00 30.00 H new ATOM 0 HD3 LYS A 57 -6.049 -16.638 2.356 1.00 30.00 H new ATOM 0 HE2 LYS A 57 -4.624 -15.278 4.687 1.00 11.32 H new ATOM 0 HE3 LYS A 57 -6.336 -15.650 4.628 1.00 11.32 H new ATOM 0 HZ1 LYS A 57 -5.905 -17.665 5.375 1.00 23.52 H new ATOM 0 HZ2 LYS A 57 -4.892 -17.994 4.053 1.00 23.52 H new ATOM 0 HZ3 LYS A 57 -4.250 -17.294 5.460 1.00 23.52 H new ATOM 897 N ASN A 58 -1.874 -17.318 -2.194 1.00 64.14 N ATOM 898 CA ASN A 58 -1.870 -17.577 -3.669 1.00 23.14 C ATOM 899 C ASN A 58 -1.424 -16.337 -4.501 1.00 60.44 C ATOM 900 O ASN A 58 -1.864 -16.144 -5.643 1.00 50.53 O ATOM 901 CB ASN A 58 -3.261 -18.096 -4.135 1.00 33.52 C ATOM 902 CG ASN A 58 -3.712 -19.340 -3.365 1.00 42.31 C ATOM 903 OD1 ASN A 58 -3.422 -20.468 -3.745 1.00 22.22 O ATOM 904 ND2 ASN A 58 -4.418 -19.139 -2.266 1.00 13.15 N ATOM 0 H ASN A 58 -1.238 -17.929 -1.681 1.00 64.14 H new ATOM 0 HA ASN A 58 -1.126 -18.351 -3.854 1.00 23.14 H new ATOM 0 HB2 ASN A 58 -4.001 -17.306 -4.008 1.00 33.52 H new ATOM 0 HB3 ASN A 58 -3.221 -18.327 -5.200 1.00 33.52 H new ATOM 0 HD21 ASN A 58 -4.735 -19.934 -1.711 1.00 13.15 H new ATOM 0 HD22 ASN A 58 -4.645 -18.189 -1.973 1.00 13.15 H new ATOM 911 N GLY A 59 -0.519 -15.523 -3.926 1.00 41.43 N ATOM 912 CA GLY A 59 -0.021 -14.298 -4.588 1.00 3.41 C ATOM 913 C GLY A 59 -0.873 -13.044 -4.311 1.00 23.41 C ATOM 914 O GLY A 59 -0.457 -11.926 -4.633 1.00 4.43 O ATOM 0 H GLY A 59 -0.116 -15.690 -3.004 1.00 41.43 H new ATOM 0 HA2 GLY A 59 1.001 -14.110 -4.259 1.00 3.41 H new ATOM 0 HA3 GLY A 59 0.016 -14.469 -5.664 1.00 3.41 H new ATOM 918 N LEU A 60 -2.072 -13.238 -3.722 1.00 65.22 N ATOM 919 CA LEU A 60 -2.995 -12.138 -3.350 1.00 3.52 C ATOM 920 C LEU A 60 -2.836 -11.787 -1.856 1.00 71.54 C ATOM 921 O LEU A 60 -2.730 -12.682 -1.013 1.00 13.43 O ATOM 922 CB LEU A 60 -4.470 -12.543 -3.642 1.00 55.03 C ATOM 923 CG LEU A 60 -4.820 -12.900 -5.128 1.00 24.33 C ATOM 924 CD1 LEU A 60 -6.336 -13.150 -5.301 1.00 10.43 C ATOM 925 CD2 LEU A 60 -4.321 -11.819 -6.108 1.00 61.14 C ATOM 0 H LEU A 60 -2.431 -14.164 -3.489 1.00 65.22 H new ATOM 0 HA LEU A 60 -2.744 -11.263 -3.949 1.00 3.52 H new ATOM 0 HB2 LEU A 60 -4.717 -13.402 -3.018 1.00 55.03 H new ATOM 0 HB3 LEU A 60 -5.117 -11.724 -3.327 1.00 55.03 H new ATOM 0 HG LEU A 60 -4.297 -13.825 -5.370 1.00 24.33 H new ATOM 0 HD11 LEU A 60 -6.548 -13.395 -6.342 1.00 10.43 H new ATOM 0 HD12 LEU A 60 -6.643 -13.979 -4.663 1.00 10.43 H new ATOM 0 HD13 LEU A 60 -6.887 -12.252 -5.020 1.00 10.43 H new ATOM 0 HD21 LEU A 60 -4.583 -12.103 -7.127 1.00 61.14 H new ATOM 0 HD22 LEU A 60 -4.789 -10.865 -5.866 1.00 61.14 H new ATOM 0 HD23 LEU A 60 -3.238 -11.724 -6.025 1.00 61.14 H new ATOM 937 N ILE A 61 -2.816 -10.486 -1.532 1.00 62.10 N ATOM 938 CA ILE A 61 -2.689 -10.009 -0.137 1.00 34.13 C ATOM 939 C ILE A 61 -4.075 -9.902 0.546 1.00 42.41 C ATOM 940 O ILE A 61 -5.008 -9.301 0.001 1.00 10.42 O ATOM 941 CB ILE A 61 -1.905 -8.640 -0.082 1.00 1.53 C ATOM 942 CG1 ILE A 61 -0.437 -8.863 -0.590 1.00 33.12 C ATOM 943 CG2 ILE A 61 -1.929 -8.004 1.339 1.00 11.41 C ATOM 944 CD1 ILE A 61 0.476 -7.650 -0.536 1.00 31.50 C ATOM 0 H ILE A 61 -2.886 -9.736 -2.220 1.00 62.10 H new ATOM 0 HA ILE A 61 -2.110 -10.744 0.422 1.00 34.13 H new ATOM 0 HB ILE A 61 -2.406 -7.928 -0.738 1.00 1.53 H new ATOM 0 HG12 ILE A 61 0.014 -9.660 0.001 1.00 33.12 H new ATOM 0 HG13 ILE A 61 -0.480 -9.216 -1.620 1.00 33.12 H new ATOM 0 HG21 ILE A 61 -1.377 -7.064 1.326 1.00 11.41 H new ATOM 0 HG22 ILE A 61 -2.961 -7.815 1.636 1.00 11.41 H new ATOM 0 HG23 ILE A 61 -1.466 -8.687 2.051 1.00 11.41 H new ATOM 0 HD11 ILE A 61 1.463 -7.921 -0.911 1.00 31.50 H new ATOM 0 HD12 ILE A 61 0.060 -6.854 -1.153 1.00 31.50 H new ATOM 0 HD13 ILE A 61 0.561 -7.304 0.494 1.00 31.50 H new ATOM 956 N GLU A 62 -4.181 -10.505 1.746 1.00 41.35 N ATOM 957 CA GLU A 62 -5.424 -10.557 2.546 1.00 73.21 C ATOM 958 C GLU A 62 -5.291 -9.667 3.808 1.00 3.42 C ATOM 959 O GLU A 62 -4.254 -9.686 4.487 1.00 2.21 O ATOM 960 CB GLU A 62 -5.760 -12.051 2.909 1.00 43.15 C ATOM 961 CG GLU A 62 -7.098 -12.581 2.332 1.00 10.24 C ATOM 962 CD GLU A 62 -8.347 -12.051 3.065 1.00 63.22 C ATOM 963 OE1 GLU A 62 -8.594 -10.826 3.038 1.00 65.32 O ATOM 964 OE2 GLU A 62 -9.084 -12.864 3.671 1.00 0.13 O ATOM 0 H GLU A 62 -3.396 -10.977 2.195 1.00 41.35 H new ATOM 0 HA GLU A 62 -6.253 -10.161 1.960 1.00 73.21 H new ATOM 0 HB2 GLU A 62 -4.950 -12.687 2.551 1.00 43.15 H new ATOM 0 HB3 GLU A 62 -5.786 -12.148 3.994 1.00 43.15 H new ATOM 0 HG2 GLU A 62 -7.163 -12.306 1.279 1.00 10.24 H new ATOM 0 HG3 GLU A 62 -7.096 -13.670 2.378 1.00 10.24 H new ATOM 971 N ILE A 63 -6.355 -8.888 4.113 1.00 13.14 N ATOM 972 CA ILE A 63 -6.311 -7.816 5.141 1.00 11.14 C ATOM 973 C ILE A 63 -7.222 -8.179 6.326 1.00 41.14 C ATOM 974 O ILE A 63 -8.445 -8.292 6.183 1.00 52.52 O ATOM 975 CB ILE A 63 -6.738 -6.388 4.587 1.00 53.32 C ATOM 976 CG1 ILE A 63 -5.882 -5.940 3.355 1.00 71.22 C ATOM 977 CG2 ILE A 63 -6.659 -5.313 5.705 1.00 75.11 C ATOM 978 CD1 ILE A 63 -6.186 -6.663 2.069 1.00 20.11 C ATOM 0 H ILE A 63 -7.263 -8.982 3.658 1.00 13.14 H new ATOM 0 HA ILE A 63 -5.270 -7.747 5.456 1.00 11.14 H new ATOM 0 HB ILE A 63 -7.771 -6.484 4.251 1.00 53.32 H new ATOM 0 HG12 ILE A 63 -6.032 -4.872 3.197 1.00 71.22 H new ATOM 0 HG13 ILE A 63 -4.828 -6.082 3.593 1.00 71.22 H new ATOM 0 HG21 ILE A 63 -6.956 -4.345 5.301 1.00 75.11 H new ATOM 0 HG22 ILE A 63 -7.328 -5.586 6.521 1.00 75.11 H new ATOM 0 HG23 ILE A 63 -5.637 -5.252 6.079 1.00 75.11 H new ATOM 0 HD11 ILE A 63 -5.542 -6.282 1.276 1.00 20.11 H new ATOM 0 HD12 ILE A 63 -6.007 -7.730 2.200 1.00 20.11 H new ATOM 0 HD13 ILE A 63 -7.229 -6.501 1.798 1.00 20.11 H new ATOM 990 N TYR A 64 -6.600 -8.363 7.493 1.00 72.31 N ATOM 991 CA TYR A 64 -7.299 -8.615 8.772 1.00 70.20 C ATOM 992 C TYR A 64 -7.094 -7.432 9.744 1.00 24.23 C ATOM 993 O TYR A 64 -6.361 -6.497 9.437 1.00 11.45 O ATOM 994 CB TYR A 64 -6.806 -9.951 9.390 1.00 24.00 C ATOM 995 CG TYR A 64 -7.019 -11.161 8.468 1.00 3.34 C ATOM 996 CD1 TYR A 64 -6.063 -11.524 7.511 1.00 53.13 C ATOM 997 CD2 TYR A 64 -8.191 -11.915 8.528 1.00 44.43 C ATOM 998 CE1 TYR A 64 -6.275 -12.586 6.654 1.00 24.03 C ATOM 999 CE2 TYR A 64 -8.398 -12.985 7.679 1.00 50.23 C ATOM 1000 CZ TYR A 64 -7.443 -13.316 6.745 1.00 72.11 C ATOM 1001 OH TYR A 64 -7.673 -14.369 5.884 1.00 62.14 O ATOM 0 H TYR A 64 -5.584 -8.342 7.586 1.00 72.31 H new ATOM 0 HA TYR A 64 -8.369 -8.703 8.583 1.00 70.20 H new ATOM 0 HB2 TYR A 64 -5.745 -9.865 9.626 1.00 24.00 H new ATOM 0 HB3 TYR A 64 -7.329 -10.123 10.331 1.00 24.00 H new ATOM 0 HD1 TYR A 64 -5.143 -10.963 7.442 1.00 53.13 H new ATOM 0 HD2 TYR A 64 -8.950 -11.658 9.251 1.00 44.43 H new ATOM 0 HE1 TYR A 64 -5.530 -12.844 5.916 1.00 24.03 H new ATOM 0 HE2 TYR A 64 -9.309 -13.561 7.748 1.00 50.23 H new ATOM 0 HH TYR A 64 -8.126 -14.041 5.079 1.00 62.14 H new ATOM 1011 N ASN A 65 -7.780 -7.466 10.898 1.00 63.34 N ATOM 1012 CA ASN A 65 -7.713 -6.387 11.924 1.00 61.42 C ATOM 1013 C ASN A 65 -6.731 -6.770 13.067 1.00 24.13 C ATOM 1014 O ASN A 65 -6.371 -7.937 13.223 1.00 32.42 O ATOM 1015 CB ASN A 65 -9.151 -6.145 12.483 1.00 20.15 C ATOM 1016 CG ASN A 65 -9.378 -4.788 13.181 1.00 2.41 C ATOM 1017 OD1 ASN A 65 -8.476 -4.173 13.737 1.00 3.52 O ATOM 1018 ND2 ASN A 65 -10.609 -4.331 13.180 1.00 63.03 N ATOM 0 H ASN A 65 -8.398 -8.236 11.155 1.00 63.34 H new ATOM 0 HA ASN A 65 -7.337 -5.470 11.469 1.00 61.42 H new ATOM 0 HB2 ASN A 65 -9.860 -6.233 11.660 1.00 20.15 H new ATOM 0 HB3 ASN A 65 -9.384 -6.940 13.191 1.00 20.15 H new ATOM 0 HD21 ASN A 65 -10.827 -3.451 13.647 1.00 63.03 H new ATOM 0 HD22 ASN A 65 -11.348 -4.856 12.712 1.00 63.03 H new ATOM 1025 N GLU A 66 -6.297 -5.762 13.841 1.00 11.32 N ATOM 1026 CA GLU A 66 -5.527 -5.939 15.104 1.00 3.41 C ATOM 1027 C GLU A 66 -6.281 -6.853 16.123 1.00 75.04 C ATOM 1028 O GLU A 66 -5.666 -7.645 16.853 1.00 30.10 O ATOM 1029 CB GLU A 66 -5.279 -4.539 15.725 1.00 74.53 C ATOM 1030 CG GLU A 66 -4.433 -4.518 17.010 1.00 33.34 C ATOM 1031 CD GLU A 66 -4.286 -3.100 17.590 1.00 2.12 C ATOM 1032 OE1 GLU A 66 -3.412 -2.335 17.131 1.00 4.32 O ATOM 1033 OE2 GLU A 66 -5.073 -2.721 18.491 1.00 74.23 O ATOM 0 H GLU A 66 -6.469 -4.783 13.612 1.00 11.32 H new ATOM 0 HA GLU A 66 -4.582 -6.430 14.874 1.00 3.41 H new ATOM 0 HB2 GLU A 66 -4.789 -3.913 14.979 1.00 74.53 H new ATOM 0 HB3 GLU A 66 -6.245 -4.081 15.940 1.00 74.53 H new ATOM 0 HG2 GLU A 66 -4.893 -5.167 17.755 1.00 33.34 H new ATOM 0 HG3 GLU A 66 -3.445 -4.926 16.798 1.00 33.34 H new ATOM 1327 N LYS B 3 6.652 -8.492 9.216 1.00 65.53 N ATOM 1328 CA LYS B 3 7.162 -7.108 9.385 1.00 33.44 C ATOM 1329 C LYS B 3 8.541 -6.914 8.698 1.00 24.13 C ATOM 1330 O LYS B 3 8.803 -5.865 8.089 1.00 33.12 O ATOM 1331 CB LYS B 3 7.234 -6.770 10.901 1.00 23.15 C ATOM 1332 CG LYS B 3 5.862 -6.867 11.626 1.00 53.00 C ATOM 1333 CD LYS B 3 4.854 -5.776 11.168 1.00 64.35 C ATOM 1334 CE LYS B 3 3.404 -6.066 11.609 1.00 54.02 C ATOM 1335 NZ LYS B 3 3.294 -6.363 13.061 1.00 51.31 N ATOM 0 HA LYS B 3 6.472 -6.420 8.896 1.00 33.44 H new ATOM 0 HB2 LYS B 3 7.939 -7.448 11.383 1.00 23.15 H new ATOM 0 HB3 LYS B 3 7.629 -5.761 11.021 1.00 23.15 H new ATOM 0 HG2 LYS B 3 5.430 -7.851 11.445 1.00 53.00 H new ATOM 0 HG3 LYS B 3 6.019 -6.781 12.701 1.00 53.00 H new ATOM 0 HD2 LYS B 3 5.164 -4.812 11.571 1.00 64.35 H new ATOM 0 HD3 LYS B 3 4.887 -5.693 10.082 1.00 64.35 H new ATOM 0 HE2 LYS B 3 2.777 -5.207 11.370 1.00 54.02 H new ATOM 0 HE3 LYS B 3 3.018 -6.911 11.039 1.00 54.02 H new ATOM 0 HZ1 LYS B 3 2.404 -6.869 13.245 1.00 51.31 H new ATOM 0 HZ2 LYS B 3 4.097 -6.955 13.356 1.00 51.31 H new ATOM 0 HZ3 LYS B 3 3.304 -5.473 13.599 1.00 51.31 H new ATOM 1349 N LYS B 4 9.403 -7.949 8.781 1.00 55.45 N ATOM 1350 CA LYS B 4 10.721 -7.976 8.091 1.00 35.42 C ATOM 1351 C LYS B 4 10.567 -8.234 6.571 1.00 12.34 C ATOM 1352 O LYS B 4 11.377 -7.741 5.777 1.00 3.34 O ATOM 1353 CB LYS B 4 11.661 -9.045 8.724 1.00 12.04 C ATOM 1354 CG LYS B 4 12.097 -8.743 10.179 1.00 65.02 C ATOM 1355 CD LYS B 4 12.884 -7.409 10.306 1.00 11.32 C ATOM 1356 CE LYS B 4 13.468 -7.184 11.714 1.00 31.41 C ATOM 1357 NZ LYS B 4 14.467 -8.228 12.074 1.00 30.23 N ATOM 0 H LYS B 4 9.211 -8.790 9.325 1.00 55.45 H new ATOM 0 HA LYS B 4 11.171 -6.992 8.222 1.00 35.42 H new ATOM 0 HB2 LYS B 4 11.156 -10.011 8.703 1.00 12.04 H new ATOM 0 HB3 LYS B 4 12.553 -9.138 8.104 1.00 12.04 H new ATOM 0 HG2 LYS B 4 11.214 -8.701 10.817 1.00 65.02 H new ATOM 0 HG3 LYS B 4 12.716 -9.562 10.545 1.00 65.02 H new ATOM 0 HD2 LYS B 4 13.695 -7.401 9.577 1.00 11.32 H new ATOM 0 HD3 LYS B 4 12.223 -6.579 10.056 1.00 11.32 H new ATOM 0 HE2 LYS B 4 13.937 -6.201 11.760 1.00 31.41 H new ATOM 0 HE3 LYS B 4 12.661 -7.186 12.446 1.00 31.41 H new ATOM 0 HZ1 LYS B 4 14.970 -7.944 12.939 1.00 30.23 H new ATOM 0 HZ2 LYS B 4 13.980 -9.132 12.238 1.00 30.23 H new ATOM 0 HZ3 LYS B 4 15.150 -8.338 11.297 1.00 30.23 H new ATOM 1371 N ILE B 5 9.531 -9.008 6.180 1.00 55.45 N ATOM 1372 CA ILE B 5 9.243 -9.303 4.751 1.00 72.05 C ATOM 1373 C ILE B 5 8.848 -8.010 3.992 1.00 32.21 C ATOM 1374 O ILE B 5 9.467 -7.671 2.983 1.00 1.34 O ATOM 1375 CB ILE B 5 8.102 -10.378 4.586 1.00 44.23 C ATOM 1376 CG1 ILE B 5 8.444 -11.677 5.383 1.00 22.43 C ATOM 1377 CG2 ILE B 5 7.844 -10.705 3.087 1.00 15.04 C ATOM 1378 CD1 ILE B 5 7.364 -12.753 5.340 1.00 22.30 C ATOM 0 H ILE B 5 8.877 -9.442 6.832 1.00 55.45 H new ATOM 0 HA ILE B 5 10.159 -9.712 4.323 1.00 72.05 H new ATOM 0 HB ILE B 5 7.186 -9.954 4.997 1.00 44.23 H new ATOM 0 HG12 ILE B 5 9.370 -12.095 4.990 1.00 22.43 H new ATOM 0 HG13 ILE B 5 8.631 -11.410 6.423 1.00 22.43 H new ATOM 0 HG21 ILE B 5 7.052 -11.449 3.008 1.00 15.04 H new ATOM 0 HG22 ILE B 5 7.543 -9.798 2.563 1.00 15.04 H new ATOM 0 HG23 ILE B 5 8.756 -11.097 2.638 1.00 15.04 H new ATOM 0 HD11 ILE B 5 7.688 -13.617 5.920 1.00 22.30 H new ATOM 0 HD12 ILE B 5 6.440 -12.358 5.763 1.00 22.30 H new ATOM 0 HD13 ILE B 5 7.191 -13.054 4.307 1.00 22.30 H new ATOM 1390 N VAL B 6 7.830 -7.282 4.511 1.00 64.45 N ATOM 1391 CA VAL B 6 7.387 -5.985 3.931 1.00 22.21 C ATOM 1392 C VAL B 6 8.487 -4.902 4.054 1.00 24.23 C ATOM 1393 O VAL B 6 8.517 -3.964 3.263 1.00 12.43 O ATOM 1394 CB VAL B 6 6.036 -5.464 4.556 1.00 65.02 C ATOM 1395 CG1 VAL B 6 4.862 -6.410 4.198 1.00 64.42 C ATOM 1396 CG2 VAL B 6 6.153 -5.260 6.090 1.00 63.10 C ATOM 0 H VAL B 6 7.297 -7.570 5.332 1.00 64.45 H new ATOM 0 HA VAL B 6 7.202 -6.178 2.874 1.00 22.21 H new ATOM 0 HB VAL B 6 5.826 -4.487 4.120 1.00 65.02 H new ATOM 0 HG11 VAL B 6 3.941 -6.030 4.640 1.00 64.42 H new ATOM 0 HG12 VAL B 6 4.751 -6.459 3.115 1.00 64.42 H new ATOM 0 HG13 VAL B 6 5.067 -7.407 4.587 1.00 64.42 H new ATOM 0 HG21 VAL B 6 5.202 -4.901 6.483 1.00 63.10 H new ATOM 0 HG22 VAL B 6 6.407 -6.208 6.565 1.00 63.10 H new ATOM 0 HG23 VAL B 6 6.933 -4.528 6.301 1.00 63.10 H new ATOM 1406 N GLY B 7 9.374 -5.049 5.066 1.00 43.02 N ATOM 1407 CA GLY B 7 10.577 -4.206 5.194 1.00 2.12 C ATOM 1408 C GLY B 7 11.581 -4.400 4.045 1.00 32.23 C ATOM 1409 O GLY B 7 12.175 -3.433 3.554 1.00 13.00 O ATOM 0 H GLY B 7 9.275 -5.746 5.804 1.00 43.02 H new ATOM 0 HA2 GLY B 7 10.276 -3.159 5.231 1.00 2.12 H new ATOM 0 HA3 GLY B 7 11.070 -4.430 6.140 1.00 2.12 H new ATOM 1413 N ALA B 8 11.755 -5.669 3.621 1.00 4.14 N ATOM 1414 CA ALA B 8 12.619 -6.044 2.470 1.00 21.03 C ATOM 1415 C ALA B 8 11.979 -5.623 1.124 1.00 0.31 C ATOM 1416 O ALA B 8 12.677 -5.214 0.184 1.00 10.23 O ATOM 1417 CB ALA B 8 12.876 -7.560 2.485 1.00 55.54 C ATOM 0 H ALA B 8 11.302 -6.468 4.065 1.00 4.14 H new ATOM 0 HA ALA B 8 13.567 -5.515 2.568 1.00 21.03 H new ATOM 0 HB1 ALA B 8 13.509 -7.830 1.640 1.00 55.54 H new ATOM 0 HB2 ALA B 8 13.374 -7.835 3.415 1.00 55.54 H new ATOM 0 HB3 ALA B 8 11.927 -8.091 2.411 1.00 55.54 H new ATOM 1423 N ASN B 9 10.638 -5.746 1.053 1.00 62.21 N ATOM 1424 CA ASN B 9 9.841 -5.296 -0.104 1.00 30.42 C ATOM 1425 C ASN B 9 9.927 -3.759 -0.259 1.00 1.40 C ATOM 1426 O ASN B 9 10.094 -3.244 -1.364 1.00 31.21 O ATOM 1427 CB ASN B 9 8.353 -5.736 0.043 1.00 30.41 C ATOM 1428 CG ASN B 9 8.142 -7.253 0.209 1.00 73.31 C ATOM 1429 OD1 ASN B 9 7.210 -7.686 0.883 1.00 41.23 O ATOM 1430 ND2 ASN B 9 8.975 -8.074 -0.406 1.00 4.52 N ATOM 0 H ASN B 9 10.078 -6.161 1.798 1.00 62.21 H new ATOM 0 HA ASN B 9 10.253 -5.763 -0.999 1.00 30.42 H new ATOM 0 HB2 ASN B 9 7.922 -5.227 0.905 1.00 30.41 H new ATOM 0 HB3 ASN B 9 7.801 -5.400 -0.835 1.00 30.41 H new ATOM 0 HD21 ASN B 9 8.849 -9.083 -0.325 1.00 4.52 H new ATOM 0 HD22 ASN B 9 9.744 -7.699 -0.962 1.00 4.52 H new ATOM 1437 N ALA B 10 9.879 -3.047 0.886 1.00 71.21 N ATOM 1438 CA ALA B 10 9.876 -1.568 0.938 1.00 63.13 C ATOM 1439 C ALA B 10 11.254 -0.990 0.574 1.00 62.32 C ATOM 1440 O ALA B 10 11.347 -0.002 -0.161 1.00 32.32 O ATOM 1441 CB ALA B 10 9.441 -1.102 2.335 1.00 60.13 C ATOM 0 H ALA B 10 9.841 -3.484 1.807 1.00 71.21 H new ATOM 0 HA ALA B 10 9.165 -1.198 0.200 1.00 63.13 H new ATOM 0 HB1 ALA B 10 9.440 -0.013 2.371 1.00 60.13 H new ATOM 0 HB2 ALA B 10 8.438 -1.473 2.547 1.00 60.13 H new ATOM 0 HB3 ALA B 10 10.136 -1.489 3.080 1.00 60.13 H new ATOM 1447 N GLY B 11 12.317 -1.639 1.090 1.00 50.11 N ATOM 1448 CA GLY B 11 13.703 -1.255 0.785 1.00 51.35 C ATOM 1449 C GLY B 11 13.998 -1.272 -0.719 1.00 60.34 C ATOM 1450 O GLY B 11 14.483 -0.289 -1.271 1.00 51.31 O ATOM 0 H GLY B 11 12.237 -2.435 1.723 1.00 50.11 H new ATOM 0 HA2 GLY B 11 13.895 -0.257 1.179 1.00 51.35 H new ATOM 0 HA3 GLY B 11 14.386 -1.935 1.294 1.00 51.35 H new ATOM 1454 N LYS B 12 13.637 -2.395 -1.370 1.00 74.35 N ATOM 1455 CA LYS B 12 13.806 -2.611 -2.832 1.00 75.24 C ATOM 1456 C LYS B 12 13.027 -1.555 -3.674 1.00 43.13 C ATOM 1457 O LYS B 12 13.582 -0.991 -4.631 1.00 34.01 O ATOM 1458 CB LYS B 12 13.357 -4.062 -3.189 1.00 74.31 C ATOM 1459 CG LYS B 12 13.303 -4.409 -4.701 1.00 1.55 C ATOM 1460 CD LYS B 12 14.660 -4.294 -5.440 1.00 74.03 C ATOM 1461 CE LYS B 12 15.695 -5.332 -4.982 1.00 51.20 C ATOM 1462 NZ LYS B 12 16.965 -5.210 -5.742 1.00 43.14 N ATOM 0 H LYS B 12 13.214 -3.192 -0.895 1.00 74.35 H new ATOM 0 HA LYS B 12 14.859 -2.485 -3.082 1.00 75.24 H new ATOM 0 HB2 LYS B 12 14.036 -4.761 -2.701 1.00 74.31 H new ATOM 0 HB3 LYS B 12 12.368 -4.229 -2.763 1.00 74.31 H new ATOM 0 HG2 LYS B 12 12.929 -5.427 -4.813 1.00 1.55 H new ATOM 0 HG3 LYS B 12 12.583 -3.749 -5.186 1.00 1.55 H new ATOM 0 HD2 LYS B 12 14.492 -4.407 -6.511 1.00 74.03 H new ATOM 0 HD3 LYS B 12 15.066 -3.294 -5.285 1.00 74.03 H new ATOM 0 HE2 LYS B 12 15.893 -5.204 -3.918 1.00 51.20 H new ATOM 0 HE3 LYS B 12 15.288 -6.335 -5.112 1.00 51.20 H new ATOM 0 HZ1 LYS B 12 17.640 -5.926 -5.407 1.00 43.14 H new ATOM 0 HZ2 LYS B 12 16.779 -5.357 -6.755 1.00 43.14 H new ATOM 0 HZ3 LYS B 12 17.366 -4.261 -5.598 1.00 43.14 H new ATOM 1476 N VAL B 13 11.753 -1.296 -3.300 1.00 71.20 N ATOM 1477 CA VAL B 13 10.913 -0.246 -3.944 1.00 33.12 C ATOM 1478 C VAL B 13 11.592 1.147 -3.866 1.00 11.01 C ATOM 1479 O VAL B 13 11.702 1.853 -4.872 1.00 74.43 O ATOM 1480 CB VAL B 13 9.465 -0.200 -3.302 1.00 72.41 C ATOM 1481 CG1 VAL B 13 8.639 1.030 -3.779 1.00 14.10 C ATOM 1482 CG2 VAL B 13 8.694 -1.516 -3.595 1.00 50.20 C ATOM 0 H VAL B 13 11.277 -1.800 -2.552 1.00 71.20 H new ATOM 0 HA VAL B 13 10.810 -0.510 -4.996 1.00 33.12 H new ATOM 0 HB VAL B 13 9.601 -0.097 -2.225 1.00 72.41 H new ATOM 0 HG11 VAL B 13 7.656 1.012 -3.309 1.00 14.10 H new ATOM 0 HG12 VAL B 13 9.158 1.947 -3.500 1.00 14.10 H new ATOM 0 HG13 VAL B 13 8.524 0.993 -4.862 1.00 14.10 H new ATOM 0 HG21 VAL B 13 7.702 -1.464 -3.146 1.00 50.20 H new ATOM 0 HG22 VAL B 13 8.598 -1.649 -4.673 1.00 50.20 H new ATOM 0 HG23 VAL B 13 9.240 -2.359 -3.173 1.00 50.20 H new ATOM 1492 N TRP B 14 12.089 1.496 -2.665 1.00 2.15 N ATOM 1493 CA TRP B 14 12.751 2.796 -2.405 1.00 14.54 C ATOM 1494 C TRP B 14 14.107 2.913 -3.139 1.00 54.13 C ATOM 1495 O TRP B 14 14.488 4.003 -3.572 1.00 50.12 O ATOM 1496 CB TRP B 14 12.944 3.015 -0.890 1.00 71.03 C ATOM 1497 CG TRP B 14 13.356 4.424 -0.521 1.00 1.11 C ATOM 1498 CD1 TRP B 14 12.542 5.489 -0.262 1.00 73.22 C ATOM 1499 CD2 TRP B 14 14.694 4.911 -0.396 1.00 74.30 C ATOM 1500 NE1 TRP B 14 13.300 6.590 0.049 1.00 71.04 N ATOM 1501 CE2 TRP B 14 14.627 6.259 -0.041 1.00 51.44 C ATOM 1502 CE3 TRP B 14 15.934 4.315 -0.568 1.00 55.32 C ATOM 1503 CZ2 TRP B 14 15.768 7.024 0.178 1.00 23.42 C ATOM 1504 CZ3 TRP B 14 17.073 5.062 -0.360 1.00 73.10 C ATOM 1505 CH2 TRP B 14 16.985 6.413 0.003 1.00 51.40 C ATOM 0 H TRP B 14 12.045 0.889 -1.847 1.00 2.15 H new ATOM 0 HA TRP B 14 12.096 3.574 -2.796 1.00 14.54 H new ATOM 0 HB2 TRP B 14 12.013 2.773 -0.377 1.00 71.03 H new ATOM 0 HB3 TRP B 14 13.700 2.319 -0.526 1.00 71.03 H new ATOM 0 HD1 TRP B 14 11.463 5.468 -0.297 1.00 73.22 H new ATOM 0 HE1 TRP B 14 12.935 7.507 0.306 1.00 71.04 H new ATOM 0 HE3 TRP B 14 16.006 3.278 -0.861 1.00 55.32 H new ATOM 0 HZ2 TRP B 14 15.699 8.060 0.475 1.00 23.42 H new ATOM 0 HZ3 TRP B 14 18.043 4.602 -0.478 1.00 73.10 H new ATOM 0 HH2 TRP B 14 17.891 6.983 0.148 1.00 51.40 H new ATOM 1516 N HIS B 15 14.844 1.791 -3.244 1.00 12.11 N ATOM 1517 CA HIS B 15 16.130 1.746 -3.980 1.00 13.13 C ATOM 1518 C HIS B 15 15.905 2.031 -5.486 1.00 2.44 C ATOM 1519 O HIS B 15 16.746 2.656 -6.139 1.00 24.55 O ATOM 1520 CB HIS B 15 16.846 0.385 -3.760 1.00 32.20 C ATOM 1521 CG HIS B 15 17.349 0.159 -2.349 1.00 55.33 C ATOM 1522 ND1 HIS B 15 17.181 -1.022 -1.659 1.00 32.34 N ATOM 1523 CD2 HIS B 15 18.051 0.966 -1.517 1.00 21.31 C ATOM 1524 CE1 HIS B 15 17.752 -0.930 -0.476 1.00 35.11 C ATOM 1525 NE2 HIS B 15 18.290 0.263 -0.362 1.00 33.32 N ATOM 0 H HIS B 15 14.573 0.900 -2.829 1.00 12.11 H new ATOM 0 HA HIS B 15 16.781 2.527 -3.586 1.00 13.13 H new ATOM 0 HB2 HIS B 15 16.158 -0.419 -4.020 1.00 32.20 H new ATOM 0 HB3 HIS B 15 17.689 0.317 -4.448 1.00 32.20 H new ATOM 0 HD2 HIS B 15 18.365 1.978 -1.725 1.00 21.31 H new ATOM 0 HE1 HIS B 15 17.774 -1.706 0.275 1.00 35.11 H new ATOM 0 HE2 HIS B 15 18.801 0.610 0.450 1.00 33.32 H new ATOM 1534 N ALA B 16 14.741 1.600 -6.011 1.00 33.04 N ATOM 1535 CA ALA B 16 14.300 1.945 -7.383 1.00 31.32 C ATOM 1536 C ALA B 16 13.892 3.439 -7.493 1.00 41.32 C ATOM 1537 O ALA B 16 14.087 4.058 -8.536 1.00 61.23 O ATOM 1538 CB ALA B 16 13.148 1.034 -7.821 1.00 12.34 C ATOM 0 H ALA B 16 14.083 1.008 -5.504 1.00 33.04 H new ATOM 0 HA ALA B 16 15.144 1.786 -8.054 1.00 31.32 H new ATOM 0 HB1 ALA B 16 12.837 1.301 -8.831 1.00 12.34 H new ATOM 0 HB2 ALA B 16 13.479 -0.004 -7.806 1.00 12.34 H new ATOM 0 HB3 ALA B 16 12.308 1.156 -7.138 1.00 12.34 H new ATOM 1544 N LEU B 17 13.342 4.008 -6.395 1.00 74.21 N ATOM 1545 CA LEU B 17 12.973 5.451 -6.317 1.00 32.03 C ATOM 1546 C LEU B 17 14.232 6.347 -6.216 1.00 55.22 C ATOM 1547 O LEU B 17 14.236 7.494 -6.673 1.00 71.51 O ATOM 1548 CB LEU B 17 12.064 5.714 -5.084 1.00 32.51 C ATOM 1549 CG LEU B 17 10.713 4.939 -5.033 1.00 14.22 C ATOM 1550 CD1 LEU B 17 10.034 5.111 -3.656 1.00 74.12 C ATOM 1551 CD2 LEU B 17 9.779 5.357 -6.194 1.00 45.11 C ATOM 0 H LEU B 17 13.140 3.488 -5.541 1.00 74.21 H new ATOM 0 HA LEU B 17 12.434 5.700 -7.231 1.00 32.03 H new ATOM 0 HB2 LEU B 17 12.630 5.470 -4.185 1.00 32.51 H new ATOM 0 HB3 LEU B 17 11.846 6.781 -5.043 1.00 32.51 H new ATOM 0 HG LEU B 17 10.926 3.878 -5.164 1.00 14.22 H new ATOM 0 HD11 LEU B 17 9.093 4.562 -3.643 1.00 74.12 H new ATOM 0 HD12 LEU B 17 10.690 4.725 -2.876 1.00 74.12 H new ATOM 0 HD13 LEU B 17 9.839 6.168 -3.476 1.00 74.12 H new ATOM 0 HD21 LEU B 17 8.846 4.798 -6.129 1.00 45.11 H new ATOM 0 HD22 LEU B 17 9.568 6.424 -6.125 1.00 45.11 H new ATOM 0 HD23 LEU B 17 10.264 5.144 -7.146 1.00 45.11 H new ATOM 1563 N ASN B 18 15.299 5.800 -5.595 1.00 30.45 N ATOM 1564 CA ASN B 18 16.572 6.523 -5.359 1.00 63.52 C ATOM 1565 C ASN B 18 17.305 6.812 -6.696 1.00 15.53 C ATOM 1566 O ASN B 18 18.026 7.811 -6.817 1.00 72.03 O ATOM 1567 CB ASN B 18 17.466 5.707 -4.386 1.00 73.01 C ATOM 1568 CG ASN B 18 18.779 6.398 -3.980 1.00 13.11 C ATOM 1569 OD1 ASN B 18 19.795 5.744 -3.774 1.00 2.14 O ATOM 1570 ND2 ASN B 18 18.770 7.711 -3.822 1.00 4.42 N ATOM 0 H ASN B 18 15.304 4.843 -5.242 1.00 30.45 H new ATOM 0 HA ASN B 18 16.351 7.487 -4.900 1.00 63.52 H new ATOM 0 HB2 ASN B 18 16.893 5.490 -3.485 1.00 73.01 H new ATOM 0 HB3 ASN B 18 17.704 4.750 -4.851 1.00 73.01 H new ATOM 0 HD21 ASN B 18 19.617 8.195 -3.524 1.00 4.42 H new ATOM 0 HD22 ASN B 18 17.916 8.240 -3.998 1.00 4.42 H new ATOM 1577 N GLU B 19 17.096 5.933 -7.691 1.00 43.32 N ATOM 1578 CA GLU B 19 17.642 6.099 -9.056 1.00 52.15 C ATOM 1579 C GLU B 19 16.570 6.673 -10.028 1.00 33.43 C ATOM 1580 O GLU B 19 16.910 7.382 -10.984 1.00 72.44 O ATOM 1581 CB GLU B 19 18.196 4.737 -9.566 1.00 70.40 C ATOM 1582 CG GLU B 19 17.166 3.585 -9.579 1.00 14.43 C ATOM 1583 CD GLU B 19 17.775 2.220 -9.937 1.00 13.32 C ATOM 1584 OE1 GLU B 19 18.483 1.635 -9.082 1.00 52.42 O ATOM 1585 OE2 GLU B 19 17.565 1.728 -11.069 1.00 30.02 O ATOM 0 H GLU B 19 16.543 5.084 -7.575 1.00 43.32 H new ATOM 0 HA GLU B 19 18.459 6.819 -9.022 1.00 52.15 H new ATOM 0 HB2 GLU B 19 18.582 4.873 -10.576 1.00 70.40 H new ATOM 0 HB3 GLU B 19 19.039 4.446 -8.939 1.00 70.40 H new ATOM 0 HG2 GLU B 19 16.696 3.518 -8.598 1.00 14.43 H new ATOM 0 HG3 GLU B 19 16.378 3.821 -10.294 1.00 14.43 H new ATOM 1592 N ALA B 20 15.274 6.376 -9.760 1.00 20.15 N ATOM 1593 CA ALA B 20 14.142 6.770 -10.644 1.00 22.24 C ATOM 1594 C ALA B 20 12.793 6.810 -9.872 1.00 24.30 C ATOM 1595 O ALA B 20 12.080 5.803 -9.786 1.00 44.00 O ATOM 1596 CB ALA B 20 14.050 5.814 -11.855 1.00 31.11 C ATOM 0 H ALA B 20 14.982 5.859 -8.930 1.00 20.15 H new ATOM 0 HA ALA B 20 14.339 7.779 -11.005 1.00 22.24 H new ATOM 0 HB1 ALA B 20 13.218 6.114 -12.493 1.00 31.11 H new ATOM 0 HB2 ALA B 20 14.978 5.858 -12.425 1.00 31.11 H new ATOM 0 HB3 ALA B 20 13.888 4.795 -11.503 1.00 31.11 H new ATOM 1602 N ASP B 21 12.472 7.971 -9.283 1.00 11.10 N ATOM 1603 CA ASP B 21 11.192 8.192 -8.570 1.00 55.44 C ATOM 1604 C ASP B 21 10.111 8.785 -9.507 1.00 74.11 C ATOM 1605 O ASP B 21 10.395 9.137 -10.664 1.00 63.13 O ATOM 1606 CB ASP B 21 11.427 9.103 -7.335 1.00 3.34 C ATOM 1607 CG ASP B 21 11.843 10.545 -7.682 1.00 2.32 C ATOM 1608 OD1 ASP B 21 12.929 10.736 -8.277 1.00 20.54 O ATOM 1609 OD2 ASP B 21 11.091 11.492 -7.355 1.00 54.31 O ATOM 0 H ASP B 21 13.086 8.785 -9.284 1.00 11.10 H new ATOM 0 HA ASP B 21 10.819 7.227 -8.228 1.00 55.44 H new ATOM 0 HB2 ASP B 21 10.513 9.134 -6.741 1.00 3.34 H new ATOM 0 HB3 ASP B 21 12.199 8.655 -6.709 1.00 3.34 H new ATOM 1614 N GLY B 22 8.871 8.896 -8.992 1.00 24.35 N ATOM 1615 CA GLY B 22 7.736 9.389 -9.786 1.00 22.45 C ATOM 1616 C GLY B 22 7.301 8.393 -10.854 1.00 1.35 C ATOM 1617 O GLY B 22 7.421 8.652 -12.055 1.00 71.02 O ATOM 0 H GLY B 22 8.633 8.651 -8.031 1.00 24.35 H new ATOM 0 HA2 GLY B 22 6.896 9.598 -9.124 1.00 22.45 H new ATOM 0 HA3 GLY B 22 8.010 10.331 -10.261 1.00 22.45 H new ATOM 1621 N ILE B 23 6.817 7.235 -10.399 1.00 14.22 N ATOM 1622 CA ILE B 23 6.497 6.092 -11.273 1.00 4.42 C ATOM 1623 C ILE B 23 5.244 5.341 -10.759 1.00 22.32 C ATOM 1624 O ILE B 23 5.009 5.251 -9.540 1.00 3.02 O ATOM 1625 CB ILE B 23 7.760 5.142 -11.391 1.00 72.54 C ATOM 1626 CG1 ILE B 23 7.487 3.889 -12.294 1.00 34.42 C ATOM 1627 CG2 ILE B 23 8.282 4.731 -9.993 1.00 2.15 C ATOM 1628 CD1 ILE B 23 8.711 3.015 -12.570 1.00 61.54 C ATOM 0 H ILE B 23 6.634 7.058 -9.411 1.00 14.22 H new ATOM 0 HA ILE B 23 6.256 6.455 -12.272 1.00 4.42 H new ATOM 0 HB ILE B 23 8.542 5.716 -11.887 1.00 72.54 H new ATOM 0 HG12 ILE B 23 6.721 3.276 -11.818 1.00 34.42 H new ATOM 0 HG13 ILE B 23 7.078 4.228 -13.246 1.00 34.42 H new ATOM 0 HG21 ILE B 23 9.149 4.080 -10.105 1.00 2.15 H new ATOM 0 HG22 ILE B 23 8.568 5.622 -9.435 1.00 2.15 H new ATOM 0 HG23 ILE B 23 7.497 4.201 -9.453 1.00 2.15 H new ATOM 0 HD11 ILE B 23 8.423 2.175 -13.202 1.00 61.54 H new ATOM 0 HD12 ILE B 23 9.473 3.606 -13.078 1.00 61.54 H new ATOM 0 HD13 ILE B 23 9.110 2.640 -11.628 1.00 61.54 H new ATOM 1640 N SER B 24 4.417 4.856 -11.712 1.00 52.31 N ATOM 1641 CA SER B 24 3.194 4.068 -11.422 1.00 63.13 C ATOM 1642 C SER B 24 3.529 2.766 -10.664 1.00 41.44 C ATOM 1643 O SER B 24 4.498 2.100 -11.004 1.00 12.34 O ATOM 1644 CB SER B 24 2.454 3.718 -12.736 1.00 43.43 C ATOM 1645 OG SER B 24 2.094 4.886 -13.450 1.00 45.21 O ATOM 0 H SER B 24 4.578 5.000 -12.709 1.00 52.31 H new ATOM 0 HA SER B 24 2.551 4.682 -10.791 1.00 63.13 H new ATOM 0 HB2 SER B 24 3.091 3.090 -13.359 1.00 43.43 H new ATOM 0 HB3 SER B 24 1.560 3.138 -12.509 1.00 43.43 H new ATOM 0 HG SER B 24 1.630 4.635 -14.276 1.00 45.21 H new ATOM 1651 N ILE B 25 2.686 2.410 -9.674 1.00 34.31 N ATOM 1652 CA ILE B 25 2.867 1.217 -8.800 1.00 31.10 C ATOM 1653 C ILE B 25 3.089 -0.138 -9.583 1.00 63.54 C ATOM 1654 O ILE B 25 4.005 -0.881 -9.220 1.00 4.53 O ATOM 1655 CB ILE B 25 1.662 1.086 -7.774 1.00 42.41 C ATOM 1656 CG1 ILE B 25 1.609 2.347 -6.841 1.00 30.01 C ATOM 1657 CG2 ILE B 25 1.720 -0.233 -6.950 1.00 62.24 C ATOM 1658 CD1 ILE B 25 0.469 2.376 -5.824 1.00 4.52 C ATOM 0 H ILE B 25 1.847 2.945 -9.450 1.00 34.31 H new ATOM 0 HA ILE B 25 3.794 1.391 -8.254 1.00 31.10 H new ATOM 0 HB ILE B 25 0.739 1.040 -8.352 1.00 42.41 H new ATOM 0 HG12 ILE B 25 2.554 2.416 -6.301 1.00 30.01 H new ATOM 0 HG13 ILE B 25 1.534 3.236 -7.467 1.00 30.01 H new ATOM 0 HG21 ILE B 25 0.873 -0.271 -6.265 1.00 62.24 H new ATOM 0 HG22 ILE B 25 1.678 -1.087 -7.626 1.00 62.24 H new ATOM 0 HG23 ILE B 25 2.649 -0.266 -6.381 1.00 62.24 H new ATOM 0 HD11 ILE B 25 0.530 3.291 -5.235 1.00 4.52 H new ATOM 0 HD12 ILE B 25 -0.487 2.345 -6.348 1.00 4.52 H new ATOM 0 HD13 ILE B 25 0.549 1.513 -5.163 1.00 4.52 H new ATOM 1670 N PRO B 26 2.288 -0.502 -10.671 1.00 4.23 N ATOM 1671 CA PRO B 26 2.503 -1.785 -11.411 1.00 1.02 C ATOM 1672 C PRO B 26 3.754 -1.780 -12.335 1.00 22.43 C ATOM 1673 O PRO B 26 4.319 -2.841 -12.624 1.00 11.45 O ATOM 1674 CB PRO B 26 1.190 -1.947 -12.224 1.00 4.31 C ATOM 1675 CG PRO B 26 0.745 -0.540 -12.487 1.00 64.20 C ATOM 1676 CD PRO B 26 1.112 0.236 -11.231 1.00 51.00 C ATOM 0 HA PRO B 26 2.705 -2.612 -10.730 1.00 1.02 H new ATOM 0 HB2 PRO B 26 1.361 -2.491 -13.153 1.00 4.31 H new ATOM 0 HB3 PRO B 26 0.440 -2.504 -11.662 1.00 4.31 H new ATOM 0 HG2 PRO B 26 1.243 -0.127 -13.364 1.00 64.20 H new ATOM 0 HG3 PRO B 26 -0.327 -0.495 -12.678 1.00 64.20 H new ATOM 0 HD2 PRO B 26 1.365 1.271 -11.462 1.00 51.00 H new ATOM 0 HD3 PRO B 26 0.284 0.261 -10.523 1.00 51.00 H new ATOM 1684 N GLU B 27 4.184 -0.583 -12.777 1.00 14.41 N ATOM 1685 CA GLU B 27 5.386 -0.423 -13.629 1.00 44.41 C ATOM 1686 C GLU B 27 6.640 -0.551 -12.748 1.00 42.22 C ATOM 1687 O GLU B 27 7.589 -1.247 -13.070 1.00 50.52 O ATOM 1688 CB GLU B 27 5.362 0.960 -14.330 1.00 44.04 C ATOM 1689 CG GLU B 27 6.454 1.140 -15.407 1.00 4.12 C ATOM 1690 CD GLU B 27 6.369 2.490 -16.140 1.00 30.14 C ATOM 1691 OE1 GLU B 27 5.495 2.642 -17.028 1.00 45.33 O ATOM 1692 OE2 GLU B 27 7.172 3.401 -15.844 1.00 60.13 O ATOM 0 H GLU B 27 3.715 0.296 -12.558 1.00 14.41 H new ATOM 0 HA GLU B 27 5.398 -1.196 -14.397 1.00 44.41 H new ATOM 0 HB2 GLU B 27 4.385 1.105 -14.791 1.00 44.04 H new ATOM 0 HB3 GLU B 27 5.478 1.739 -13.577 1.00 44.04 H new ATOM 0 HG2 GLU B 27 7.434 1.050 -14.939 1.00 4.12 H new ATOM 0 HG3 GLU B 27 6.373 0.333 -16.135 1.00 4.12 H new ATOM 1699 N LEU B 28 6.586 0.149 -11.621 1.00 3.35 N ATOM 1700 CA LEU B 28 7.550 0.055 -10.515 1.00 33.20 C ATOM 1701 C LEU B 28 7.679 -1.403 -10.004 1.00 22.50 C ATOM 1702 O LEU B 28 8.781 -1.873 -9.735 1.00 12.54 O ATOM 1703 CB LEU B 28 7.043 1.014 -9.415 1.00 61.43 C ATOM 1704 CG LEU B 28 7.820 1.088 -8.074 1.00 43.44 C ATOM 1705 CD1 LEU B 28 9.309 1.470 -8.270 1.00 53.43 C ATOM 1706 CD2 LEU B 28 7.090 2.067 -7.124 1.00 3.14 C ATOM 0 H LEU B 28 5.844 0.825 -11.439 1.00 3.35 H new ATOM 0 HA LEU B 28 8.552 0.339 -10.837 1.00 33.20 H new ATOM 0 HB2 LEU B 28 7.018 2.018 -9.838 1.00 61.43 H new ATOM 0 HB3 LEU B 28 6.014 0.739 -9.186 1.00 61.43 H new ATOM 0 HG LEU B 28 7.834 0.095 -7.624 1.00 43.44 H new ATOM 0 HD11 LEU B 28 9.806 1.508 -7.300 1.00 53.43 H new ATOM 0 HD12 LEU B 28 9.796 0.725 -8.899 1.00 53.43 H new ATOM 0 HD13 LEU B 28 9.374 2.447 -8.749 1.00 53.43 H new ATOM 0 HD21 LEU B 28 7.629 2.126 -6.178 1.00 3.14 H new ATOM 0 HD22 LEU B 28 7.050 3.056 -7.581 1.00 3.14 H new ATOM 0 HD23 LEU B 28 6.076 1.710 -6.943 1.00 3.14 H new ATOM 1718 N ALA B 29 6.531 -2.111 -9.930 1.00 32.04 N ATOM 1719 CA ALA B 29 6.465 -3.542 -9.540 1.00 13.10 C ATOM 1720 C ALA B 29 7.250 -4.455 -10.516 1.00 1.30 C ATOM 1721 O ALA B 29 7.945 -5.389 -10.082 1.00 54.14 O ATOM 1722 CB ALA B 29 5.002 -4.000 -9.439 1.00 22.32 C ATOM 0 H ALA B 29 5.618 -1.707 -10.140 1.00 32.04 H new ATOM 0 HA ALA B 29 6.939 -3.633 -8.563 1.00 13.10 H new ATOM 0 HB1 ALA B 29 4.969 -5.051 -9.152 1.00 22.32 H new ATOM 0 HB2 ALA B 29 4.485 -3.403 -8.688 1.00 22.32 H new ATOM 0 HB3 ALA B 29 4.513 -3.872 -10.405 1.00 22.32 H new ATOM 1728 N ARG B 30 7.158 -4.159 -11.833 1.00 2.02 N ATOM 1729 CA ARG B 30 7.838 -4.964 -12.878 1.00 41.10 C ATOM 1730 C ARG B 30 9.365 -4.689 -12.878 1.00 1.43 C ATOM 1731 O ARG B 30 10.153 -5.524 -13.330 1.00 0.30 O ATOM 1732 CB ARG B 30 7.198 -4.726 -14.291 1.00 32.01 C ATOM 1733 CG ARG B 30 7.789 -3.574 -15.140 1.00 54.44 C ATOM 1734 CD ARG B 30 6.969 -3.289 -16.411 1.00 75.03 C ATOM 1735 NE ARG B 30 7.609 -2.270 -17.266 1.00 42.23 N ATOM 1736 CZ ARG B 30 7.019 -1.616 -18.245 1.00 4.44 C ATOM 1737 NH1 ARG B 30 5.744 -1.735 -18.464 1.00 14.32 N ATOM 1738 NH2 ARG B 30 7.717 -0.817 -18.979 1.00 23.02 N ATOM 0 H ARG B 30 6.622 -3.372 -12.198 1.00 2.02 H new ATOM 0 HA ARG B 30 7.695 -6.018 -12.641 1.00 41.10 H new ATOM 0 HB2 ARG B 30 7.286 -5.649 -14.863 1.00 32.01 H new ATOM 0 HB3 ARG B 30 6.134 -4.536 -14.154 1.00 32.01 H new ATOM 0 HG2 ARG B 30 7.837 -2.670 -14.534 1.00 54.44 H new ATOM 0 HG3 ARG B 30 8.812 -3.824 -15.421 1.00 54.44 H new ATOM 0 HD2 ARG B 30 6.846 -4.212 -16.978 1.00 75.03 H new ATOM 0 HD3 ARG B 30 5.971 -2.952 -16.130 1.00 75.03 H new ATOM 0 HE ARG B 30 8.589 -2.055 -17.083 1.00 42.23 H new ATOM 0 HH11 ARG B 30 5.180 -2.344 -17.872 1.00 14.32 H new ATOM 0 HH12 ARG B 30 5.307 -1.219 -19.228 1.00 14.32 H new ATOM 0 HH21 ARG B 30 8.714 -0.698 -18.798 1.00 23.02 H new ATOM 0 HH22 ARG B 30 7.272 -0.305 -19.741 1.00 23.02 H new ATOM 1752 N LYS B 31 9.770 -3.504 -12.356 1.00 73.25 N ATOM 1753 CA LYS B 31 11.197 -3.141 -12.180 1.00 61.42 C ATOM 1754 C LYS B 31 11.796 -3.828 -10.926 1.00 31.23 C ATOM 1755 O LYS B 31 12.907 -4.362 -10.972 1.00 63.20 O ATOM 1756 CB LYS B 31 11.365 -1.592 -12.061 1.00 3.51 C ATOM 1757 CG LYS B 31 10.730 -0.763 -13.209 1.00 22.13 C ATOM 1758 CD LYS B 31 11.208 -1.174 -14.627 1.00 61.30 C ATOM 1759 CE LYS B 31 12.714 -0.945 -14.863 1.00 12.32 C ATOM 1760 NZ LYS B 31 13.130 -1.383 -16.221 1.00 52.35 N ATOM 0 H LYS B 31 9.122 -2.779 -12.048 1.00 73.25 H new ATOM 0 HA LYS B 31 11.736 -3.490 -13.061 1.00 61.42 H new ATOM 0 HB2 LYS B 31 10.928 -1.268 -11.117 1.00 3.51 H new ATOM 0 HB3 LYS B 31 12.429 -1.362 -12.015 1.00 3.51 H new ATOM 0 HG2 LYS B 31 9.646 -0.864 -13.159 1.00 22.13 H new ATOM 0 HG3 LYS B 31 10.959 0.291 -13.051 1.00 22.13 H new ATOM 0 HD2 LYS B 31 10.980 -2.228 -14.786 1.00 61.30 H new ATOM 0 HD3 LYS B 31 10.643 -0.610 -15.369 1.00 61.30 H new ATOM 0 HE2 LYS B 31 12.946 0.112 -14.735 1.00 12.32 H new ATOM 0 HE3 LYS B 31 13.287 -1.490 -14.113 1.00 12.32 H new ATOM 0 HZ1 LYS B 31 14.149 -1.214 -16.343 1.00 52.35 H new ATOM 0 HZ2 LYS B 31 12.932 -2.398 -16.335 1.00 52.35 H new ATOM 0 HZ3 LYS B 31 12.601 -0.845 -16.937 1.00 52.35 H new ATOM 1774 N VAL B 32 11.032 -3.813 -9.807 1.00 4.54 N ATOM 1775 CA VAL B 32 11.497 -4.332 -8.490 1.00 1.21 C ATOM 1776 C VAL B 32 11.239 -5.857 -8.313 1.00 12.43 C ATOM 1777 O VAL B 32 11.515 -6.418 -7.242 1.00 54.34 O ATOM 1778 CB VAL B 32 10.845 -3.527 -7.300 1.00 71.12 C ATOM 1779 CG1 VAL B 32 11.165 -2.016 -7.409 1.00 74.32 C ATOM 1780 CG2 VAL B 32 9.318 -3.763 -7.197 1.00 61.11 C ATOM 0 H VAL B 32 10.081 -3.444 -9.787 1.00 4.54 H new ATOM 0 HA VAL B 32 12.577 -4.185 -8.471 1.00 1.21 H new ATOM 0 HB VAL B 32 11.289 -3.907 -6.380 1.00 71.12 H new ATOM 0 HG11 VAL B 32 10.703 -1.485 -6.576 1.00 74.32 H new ATOM 0 HG12 VAL B 32 12.245 -1.870 -7.379 1.00 74.32 H new ATOM 0 HG13 VAL B 32 10.772 -1.628 -8.349 1.00 74.32 H new ATOM 0 HG21 VAL B 32 8.916 -3.187 -6.363 1.00 61.11 H new ATOM 0 HG22 VAL B 32 8.837 -3.445 -8.122 1.00 61.11 H new ATOM 0 HG23 VAL B 32 9.124 -4.823 -7.033 1.00 61.11 H new ATOM 1790 N ASN B 33 10.705 -6.503 -9.381 1.00 43.23 N ATOM 1791 CA ASN B 33 10.399 -7.968 -9.436 1.00 30.45 C ATOM 1792 C ASN B 33 9.309 -8.425 -8.417 1.00 35.32 C ATOM 1793 O ASN B 33 9.095 -9.631 -8.227 1.00 73.50 O ATOM 1794 CB ASN B 33 11.703 -8.809 -9.274 1.00 64.42 C ATOM 1795 CG ASN B 33 12.749 -8.521 -10.362 1.00 12.52 C ATOM 1796 OD1 ASN B 33 12.412 -8.243 -11.508 1.00 74.22 O ATOM 1797 ND2 ASN B 33 14.021 -8.574 -10.017 1.00 31.20 N ATOM 0 H ASN B 33 10.469 -6.018 -10.246 1.00 43.23 H new ATOM 0 HA ASN B 33 9.974 -8.150 -10.423 1.00 30.45 H new ATOM 0 HB2 ASN B 33 12.140 -8.605 -8.296 1.00 64.42 H new ATOM 0 HB3 ASN B 33 11.449 -9.869 -9.295 1.00 64.42 H new ATOM 0 HD21 ASN B 33 14.745 -8.382 -10.709 1.00 31.20 H new ATOM 0 HD22 ASN B 33 14.280 -8.807 -9.058 1.00 31.20 H new ATOM 1804 N LEU B 34 8.604 -7.466 -7.786 1.00 4.14 N ATOM 1805 CA LEU B 34 7.530 -7.753 -6.799 1.00 73.44 C ATOM 1806 C LEU B 34 6.136 -7.636 -7.447 1.00 13.31 C ATOM 1807 O LEU B 34 5.987 -7.064 -8.532 1.00 64.22 O ATOM 1808 CB LEU B 34 7.638 -6.777 -5.591 1.00 41.13 C ATOM 1809 CG LEU B 34 9.001 -6.790 -4.823 1.00 21.41 C ATOM 1810 CD1 LEU B 34 9.054 -5.678 -3.750 1.00 71.32 C ATOM 1811 CD2 LEU B 34 9.276 -8.184 -4.209 1.00 54.02 C ATOM 0 H LEU B 34 8.758 -6.470 -7.942 1.00 4.14 H new ATOM 0 HA LEU B 34 7.658 -8.777 -6.447 1.00 73.44 H new ATOM 0 HB2 LEU B 34 7.454 -5.764 -5.949 1.00 41.13 H new ATOM 0 HB3 LEU B 34 6.843 -7.014 -4.885 1.00 41.13 H new ATOM 0 HG LEU B 34 9.792 -6.582 -5.543 1.00 21.41 H new ATOM 0 HD11 LEU B 34 10.014 -5.715 -3.235 1.00 71.32 H new ATOM 0 HD12 LEU B 34 8.936 -4.705 -4.228 1.00 71.32 H new ATOM 0 HD13 LEU B 34 8.250 -5.829 -3.030 1.00 71.32 H new ATOM 0 HD21 LEU B 34 10.229 -8.167 -3.681 1.00 54.02 H new ATOM 0 HD22 LEU B 34 8.478 -8.438 -3.511 1.00 54.02 H new ATOM 0 HD23 LEU B 34 9.314 -8.930 -5.003 1.00 54.02 H new ATOM 1823 N SER B 35 5.122 -8.208 -6.774 1.00 72.05 N ATOM 1824 CA SER B 35 3.693 -8.054 -7.154 1.00 55.12 C ATOM 1825 C SER B 35 3.210 -6.589 -6.982 1.00 72.25 C ATOM 1826 O SER B 35 3.781 -5.838 -6.188 1.00 54.30 O ATOM 1827 CB SER B 35 2.815 -8.997 -6.290 1.00 15.22 C ATOM 1828 OG SER B 35 3.289 -10.333 -6.340 1.00 42.12 O ATOM 0 H SER B 35 5.263 -8.792 -5.950 1.00 72.05 H new ATOM 0 HA SER B 35 3.597 -8.319 -8.207 1.00 55.12 H new ATOM 0 HB2 SER B 35 2.811 -8.649 -5.257 1.00 15.22 H new ATOM 0 HB3 SER B 35 1.784 -8.961 -6.642 1.00 15.22 H new ATOM 0 HG SER B 35 2.718 -10.904 -5.785 1.00 42.12 H new ATOM 1834 N VAL B 36 2.158 -6.198 -7.730 1.00 31.40 N ATOM 1835 CA VAL B 36 1.551 -4.836 -7.650 1.00 22.51 C ATOM 1836 C VAL B 36 1.074 -4.503 -6.209 1.00 61.13 C ATOM 1837 O VAL B 36 1.388 -3.441 -5.662 1.00 44.45 O ATOM 1838 CB VAL B 36 0.342 -4.712 -8.650 1.00 22.12 C ATOM 1839 CG1 VAL B 36 -0.332 -3.315 -8.587 1.00 11.31 C ATOM 1840 CG2 VAL B 36 0.778 -5.071 -10.095 1.00 23.02 C ATOM 0 H VAL B 36 1.700 -6.809 -8.407 1.00 31.40 H new ATOM 0 HA VAL B 36 2.325 -4.120 -7.926 1.00 22.51 H new ATOM 0 HB VAL B 36 -0.412 -5.435 -8.337 1.00 22.12 H new ATOM 0 HG11 VAL B 36 -1.160 -3.278 -9.295 1.00 11.31 H new ATOM 0 HG12 VAL B 36 -0.708 -3.137 -7.579 1.00 11.31 H new ATOM 0 HG13 VAL B 36 0.398 -2.547 -8.843 1.00 11.31 H new ATOM 0 HG21 VAL B 36 -0.076 -4.977 -10.766 1.00 23.02 H new ATOM 0 HG22 VAL B 36 1.568 -4.392 -10.416 1.00 23.02 H new ATOM 0 HG23 VAL B 36 1.148 -6.096 -10.119 1.00 23.02 H new ATOM 1850 N GLU B 37 0.311 -5.444 -5.626 1.00 3.35 N ATOM 1851 CA GLU B 37 -0.163 -5.379 -4.219 1.00 25.12 C ATOM 1852 C GLU B 37 1.025 -5.265 -3.223 1.00 55.41 C ATOM 1853 O GLU B 37 0.983 -4.473 -2.275 1.00 24.42 O ATOM 1854 CB GLU B 37 -0.987 -6.655 -3.900 1.00 42.15 C ATOM 1855 CG GLU B 37 -2.199 -6.901 -4.820 1.00 24.22 C ATOM 1856 CD GLU B 37 -2.803 -8.310 -4.631 1.00 43.22 C ATOM 1857 OE1 GLU B 37 -2.335 -9.249 -5.313 1.00 11.12 O ATOM 1858 OE2 GLU B 37 -3.723 -8.488 -3.795 1.00 2.50 O ATOM 0 H GLU B 37 -0.001 -6.282 -6.117 1.00 3.35 H new ATOM 0 HA GLU B 37 -0.783 -4.490 -4.106 1.00 25.12 H new ATOM 0 HB2 GLU B 37 -0.325 -7.519 -3.959 1.00 42.15 H new ATOM 0 HB3 GLU B 37 -1.339 -6.592 -2.870 1.00 42.15 H new ATOM 0 HG2 GLU B 37 -2.963 -6.151 -4.618 1.00 24.22 H new ATOM 0 HG3 GLU B 37 -1.895 -6.775 -5.859 1.00 24.22 H new ATOM 1865 N SER B 38 2.078 -6.077 -3.471 1.00 73.53 N ATOM 1866 CA SER B 38 3.319 -6.104 -2.649 1.00 63.31 C ATOM 1867 C SER B 38 4.057 -4.754 -2.663 1.00 54.25 C ATOM 1868 O SER B 38 4.606 -4.337 -1.643 1.00 64.14 O ATOM 1869 CB SER B 38 4.265 -7.230 -3.133 1.00 73.12 C ATOM 1870 OG SER B 38 3.672 -8.509 -2.949 1.00 32.21 O ATOM 0 H SER B 38 2.095 -6.736 -4.249 1.00 73.53 H new ATOM 0 HA SER B 38 3.016 -6.302 -1.621 1.00 63.31 H new ATOM 0 HB2 SER B 38 4.501 -7.083 -4.187 1.00 73.12 H new ATOM 0 HB3 SER B 38 5.206 -7.179 -2.585 1.00 73.12 H new ATOM 0 HG SER B 38 4.288 -9.203 -3.264 1.00 32.21 H new ATOM 1876 N THR B 39 4.053 -4.089 -3.828 1.00 71.42 N ATOM 1877 CA THR B 39 4.680 -2.763 -4.012 1.00 22.23 C ATOM 1878 C THR B 39 3.858 -1.649 -3.307 1.00 54.51 C ATOM 1879 O THR B 39 4.421 -0.860 -2.554 1.00 22.41 O ATOM 1880 CB THR B 39 4.857 -2.445 -5.536 1.00 3.14 C ATOM 1881 OG1 THR B 39 5.710 -3.439 -6.137 1.00 74.14 O ATOM 1882 CG2 THR B 39 5.452 -1.047 -5.799 1.00 33.30 C ATOM 0 H THR B 39 3.615 -4.453 -4.674 1.00 71.42 H new ATOM 0 HA THR B 39 5.666 -2.790 -3.549 1.00 22.23 H new ATOM 0 HB THR B 39 3.861 -2.461 -5.979 1.00 3.14 H new ATOM 0 HG1 THR B 39 5.215 -4.279 -6.234 1.00 74.14 H new ATOM 0 HG21 THR B 39 5.549 -0.889 -6.873 1.00 33.30 H new ATOM 0 HG22 THR B 39 4.794 -0.287 -5.378 1.00 33.30 H new ATOM 0 HG23 THR B 39 6.434 -0.976 -5.332 1.00 33.30 H new ATOM 1890 N ALA B 40 2.524 -1.627 -3.531 1.00 41.43 N ATOM 1891 CA ALA B 40 1.602 -0.604 -2.941 1.00 2.11 C ATOM 1892 C ALA B 40 1.627 -0.604 -1.385 1.00 43.50 C ATOM 1893 O ALA B 40 1.662 0.455 -0.749 1.00 50.45 O ATOM 1894 CB ALA B 40 0.171 -0.832 -3.462 1.00 54.55 C ATOM 0 H ALA B 40 2.049 -2.310 -4.121 1.00 41.43 H new ATOM 0 HA ALA B 40 1.954 0.378 -3.257 1.00 2.11 H new ATOM 0 HB1 ALA B 40 -0.496 -0.086 -3.031 1.00 54.55 H new ATOM 0 HB2 ALA B 40 0.161 -0.743 -4.548 1.00 54.55 H new ATOM 0 HB3 ALA B 40 -0.166 -1.829 -3.176 1.00 54.55 H new ATOM 1900 N LEU B 41 1.619 -1.814 -0.800 1.00 20.11 N ATOM 1901 CA LEU B 41 1.762 -2.028 0.667 1.00 42.22 C ATOM 1902 C LEU B 41 3.138 -1.504 1.146 1.00 25.25 C ATOM 1903 O LEU B 41 3.234 -0.755 2.126 1.00 20.32 O ATOM 1904 CB LEU B 41 1.620 -3.551 0.966 1.00 14.43 C ATOM 1905 CG LEU B 41 1.291 -4.024 2.434 1.00 71.01 C ATOM 1906 CD1 LEU B 41 1.161 -5.550 2.450 1.00 54.02 C ATOM 1907 CD2 LEU B 41 2.322 -3.578 3.505 1.00 2.14 C ATOM 0 H LEU B 41 1.513 -2.681 -1.326 1.00 20.11 H new ATOM 0 HA LEU B 41 0.986 -1.480 1.202 1.00 42.22 H new ATOM 0 HB2 LEU B 41 0.839 -3.941 0.314 1.00 14.43 H new ATOM 0 HB3 LEU B 41 2.552 -4.031 0.669 1.00 14.43 H new ATOM 0 HG LEU B 41 0.355 -3.538 2.708 1.00 71.01 H new ATOM 0 HD11 LEU B 41 0.933 -5.885 3.462 1.00 54.02 H new ATOM 0 HD12 LEU B 41 0.358 -5.854 1.778 1.00 54.02 H new ATOM 0 HD13 LEU B 41 2.099 -5.998 2.121 1.00 54.02 H new ATOM 0 HD21 LEU B 41 2.014 -3.948 4.483 1.00 2.14 H new ATOM 0 HD22 LEU B 41 3.303 -3.983 3.256 1.00 2.14 H new ATOM 0 HD23 LEU B 41 2.374 -2.489 3.529 1.00 2.14 H new ATOM 1919 N ALA B 42 4.188 -1.930 0.420 1.00 30.45 N ATOM 1920 CA ALA B 42 5.594 -1.573 0.714 1.00 0.13 C ATOM 1921 C ALA B 42 5.817 -0.039 0.709 1.00 73.13 C ATOM 1922 O ALA B 42 6.690 0.476 1.411 1.00 15.52 O ATOM 1923 CB ALA B 42 6.508 -2.250 -0.310 1.00 55.31 C ATOM 0 H ALA B 42 4.087 -2.536 -0.394 1.00 30.45 H new ATOM 0 HA ALA B 42 5.835 -1.925 1.717 1.00 0.13 H new ATOM 0 HB1 ALA B 42 7.546 -1.991 -0.099 1.00 55.31 H new ATOM 0 HB2 ALA B 42 6.384 -3.331 -0.249 1.00 55.31 H new ATOM 0 HB3 ALA B 42 6.246 -1.911 -1.312 1.00 55.31 H new ATOM 1929 N VAL B 43 5.000 0.673 -0.088 1.00 23.22 N ATOM 1930 CA VAL B 43 5.013 2.157 -0.146 1.00 53.24 C ATOM 1931 C VAL B 43 4.468 2.769 1.172 1.00 44.11 C ATOM 1932 O VAL B 43 4.994 3.778 1.654 1.00 74.32 O ATOM 1933 CB VAL B 43 4.196 2.697 -1.378 1.00 12.41 C ATOM 1934 CG1 VAL B 43 4.047 4.239 -1.336 1.00 31.31 C ATOM 1935 CG2 VAL B 43 4.843 2.252 -2.717 1.00 23.14 C ATOM 0 H VAL B 43 4.314 0.245 -0.709 1.00 23.22 H new ATOM 0 HA VAL B 43 6.051 2.466 -0.271 1.00 53.24 H new ATOM 0 HB VAL B 43 3.198 2.263 -1.315 1.00 12.41 H new ATOM 0 HG11 VAL B 43 3.477 4.573 -2.203 1.00 31.31 H new ATOM 0 HG12 VAL B 43 3.524 4.529 -0.425 1.00 31.31 H new ATOM 0 HG13 VAL B 43 5.034 4.700 -1.351 1.00 31.31 H new ATOM 0 HG21 VAL B 43 4.257 2.639 -3.551 1.00 23.14 H new ATOM 0 HG22 VAL B 43 5.860 2.640 -2.777 1.00 23.14 H new ATOM 0 HG23 VAL B 43 4.867 1.163 -2.765 1.00 23.14 H new ATOM 1945 N GLY B 44 3.427 2.135 1.752 1.00 74.52 N ATOM 1946 CA GLY B 44 2.913 2.521 3.081 1.00 35.43 C ATOM 1947 C GLY B 44 3.932 2.264 4.207 1.00 33.10 C ATOM 1948 O GLY B 44 3.958 2.976 5.221 1.00 10.02 O ATOM 0 H GLY B 44 2.928 1.356 1.322 1.00 74.52 H new ATOM 0 HA2 GLY B 44 2.647 3.578 3.071 1.00 35.43 H new ATOM 0 HA3 GLY B 44 1.999 1.964 3.289 1.00 35.43 H new ATOM 1952 N TRP B 45 4.773 1.230 4.012 1.00 20.04 N ATOM 1953 CA TRP B 45 5.881 0.889 4.932 1.00 73.23 C ATOM 1954 C TRP B 45 7.090 1.864 4.776 1.00 52.04 C ATOM 1955 O TRP B 45 7.904 2.012 5.688 1.00 52.42 O ATOM 1956 CB TRP B 45 6.314 -0.579 4.701 1.00 12.14 C ATOM 1957 CG TRP B 45 7.108 -1.163 5.846 1.00 55.13 C ATOM 1958 CD1 TRP B 45 8.462 -1.310 5.944 1.00 33.33 C ATOM 1959 CD2 TRP B 45 6.567 -1.664 7.076 1.00 15.23 C ATOM 1960 NE1 TRP B 45 8.786 -1.887 7.143 1.00 2.45 N ATOM 1961 CE2 TRP B 45 7.645 -2.117 7.852 1.00 71.13 C ATOM 1962 CE3 TRP B 45 5.270 -1.772 7.588 1.00 62.21 C ATOM 1963 CZ2 TRP B 45 7.472 -2.684 9.107 1.00 2.51 C ATOM 1964 CZ3 TRP B 45 5.097 -2.332 8.837 1.00 2.40 C ATOM 1965 CH2 TRP B 45 6.194 -2.783 9.584 1.00 61.33 C ATOM 0 H TRP B 45 4.705 0.604 3.210 1.00 20.04 H new ATOM 0 HA TRP B 45 5.522 0.999 5.955 1.00 73.23 H new ATOM 0 HB2 TRP B 45 5.426 -1.189 4.537 1.00 12.14 H new ATOM 0 HB3 TRP B 45 6.911 -0.634 3.791 1.00 12.14 H new ATOM 0 HD1 TRP B 45 9.173 -1.015 5.187 1.00 33.33 H new ATOM 0 HE1 TRP B 45 9.731 -2.109 7.456 1.00 2.45 H new ATOM 0 HE3 TRP B 45 4.421 -1.424 7.018 1.00 62.21 H new ATOM 0 HZ2 TRP B 45 8.315 -3.034 9.685 1.00 2.51 H new ATOM 0 HZ3 TRP B 45 4.101 -2.424 9.245 1.00 2.40 H new ATOM 0 HH2 TRP B 45 6.026 -3.218 10.558 1.00 61.33 H new ATOM 1976 N LEU B 46 7.243 2.462 3.588 1.00 54.23 N ATOM 1977 CA LEU B 46 8.160 3.612 3.379 1.00 40.04 C ATOM 1978 C LEU B 46 7.574 4.912 3.968 1.00 15.23 C ATOM 1979 O LEU B 46 8.305 5.780 4.456 1.00 72.43 O ATOM 1980 CB LEU B 46 8.455 3.778 1.870 1.00 24.44 C ATOM 1981 CG LEU B 46 9.267 2.620 1.229 1.00 2.14 C ATOM 1982 CD1 LEU B 46 9.382 2.781 -0.304 1.00 74.10 C ATOM 1983 CD2 LEU B 46 10.654 2.493 1.907 1.00 25.50 C ATOM 0 H LEU B 46 6.744 2.173 2.746 1.00 54.23 H new ATOM 0 HA LEU B 46 9.093 3.408 3.904 1.00 40.04 H new ATOM 0 HB2 LEU B 46 7.508 3.875 1.339 1.00 24.44 H new ATOM 0 HB3 LEU B 46 9.001 4.710 1.722 1.00 24.44 H new ATOM 0 HG LEU B 46 8.726 1.690 1.400 1.00 2.14 H new ATOM 0 HD11 LEU B 46 9.957 1.951 -0.715 1.00 74.10 H new ATOM 0 HD12 LEU B 46 8.385 2.785 -0.745 1.00 74.10 H new ATOM 0 HD13 LEU B 46 9.885 3.720 -0.535 1.00 74.10 H new ATOM 0 HD21 LEU B 46 11.211 1.677 1.446 1.00 25.50 H new ATOM 0 HD22 LEU B 46 11.206 3.425 1.783 1.00 25.50 H new ATOM 0 HD23 LEU B 46 10.522 2.288 2.969 1.00 25.50 H new ATOM 1995 N ALA B 47 6.239 5.039 3.874 1.00 65.22 N ATOM 1996 CA ALA B 47 5.478 6.202 4.367 1.00 4.20 C ATOM 1997 C ALA B 47 5.579 6.378 5.902 1.00 34.40 C ATOM 1998 O ALA B 47 5.585 7.518 6.394 1.00 34.40 O ATOM 1999 CB ALA B 47 4.013 6.095 3.907 1.00 14.53 C ATOM 0 H ALA B 47 5.648 4.326 3.447 1.00 65.22 H new ATOM 0 HA ALA B 47 5.924 7.098 3.936 1.00 4.20 H new ATOM 0 HB1 ALA B 47 3.453 6.956 4.273 1.00 14.53 H new ATOM 0 HB2 ALA B 47 3.974 6.073 2.818 1.00 14.53 H new ATOM 0 HB3 ALA B 47 3.573 5.180 4.304 1.00 14.53 H new ATOM 2005 N ARG B 48 5.660 5.259 6.665 1.00 61.02 N ATOM 2006 CA ARG B 48 5.907 5.327 8.132 1.00 50.43 C ATOM 2007 C ARG B 48 7.305 5.920 8.441 1.00 3.21 C ATOM 2008 O ARG B 48 7.483 6.646 9.423 1.00 71.55 O ATOM 2009 CB ARG B 48 5.771 3.937 8.800 1.00 51.35 C ATOM 2010 CG ARG B 48 6.773 2.859 8.333 1.00 71.32 C ATOM 2011 CD ARG B 48 6.766 1.587 9.198 1.00 32.42 C ATOM 2012 NE ARG B 48 7.174 1.877 10.581 1.00 63.21 N ATOM 2013 CZ ARG B 48 7.403 0.999 11.524 1.00 21.51 C ATOM 2014 NH1 ARG B 48 7.306 -0.271 11.311 1.00 44.01 N ATOM 2015 NH2 ARG B 48 7.746 1.423 12.687 1.00 60.14 N ATOM 0 H ARG B 48 5.560 4.312 6.299 1.00 61.02 H new ATOM 0 HA ARG B 48 5.145 5.986 8.548 1.00 50.43 H new ATOM 0 HB2 ARG B 48 5.879 4.062 9.877 1.00 51.35 H new ATOM 0 HB3 ARG B 48 4.761 3.568 8.621 1.00 51.35 H new ATOM 0 HG2 ARG B 48 6.545 2.587 7.302 1.00 71.32 H new ATOM 0 HG3 ARG B 48 7.777 3.284 8.336 1.00 71.32 H new ATOM 0 HD2 ARG B 48 5.768 1.149 9.196 1.00 32.42 H new ATOM 0 HD3 ARG B 48 7.440 0.847 8.766 1.00 32.42 H new ATOM 0 HE ARG B 48 7.290 2.859 10.830 1.00 63.21 H new ATOM 0 HH11 ARG B 48 7.044 -0.615 10.387 1.00 44.01 H new ATOM 0 HH12 ARG B 48 7.491 -0.930 12.067 1.00 44.01 H new ATOM 0 HH21 ARG B 48 7.834 2.424 12.859 1.00 60.14 H new ATOM 0 HH22 ARG B 48 7.930 0.758 13.438 1.00 60.14 H new ATOM 2029 N GLU B 49 8.280 5.606 7.568 1.00 51.52 N ATOM 2030 CA GLU B 49 9.671 6.096 7.679 1.00 22.44 C ATOM 2031 C GLU B 49 9.828 7.519 7.059 1.00 3.32 C ATOM 2032 O GLU B 49 10.923 8.098 7.097 1.00 10.13 O ATOM 2033 CB GLU B 49 10.622 5.087 6.973 1.00 61.30 C ATOM 2034 CG GLU B 49 10.489 3.613 7.422 1.00 41.21 C ATOM 2035 CD GLU B 49 11.421 2.647 6.653 1.00 10.32 C ATOM 2036 OE1 GLU B 49 11.304 2.556 5.407 1.00 30.22 O ATOM 2037 OE2 GLU B 49 12.279 1.973 7.283 1.00 10.33 O ATOM 0 H GLU B 49 8.126 5.002 6.761 1.00 51.52 H new ATOM 0 HA GLU B 49 9.932 6.173 8.735 1.00 22.44 H new ATOM 0 HB2 GLU B 49 10.443 5.138 5.899 1.00 61.30 H new ATOM 0 HB3 GLU B 49 11.650 5.407 7.140 1.00 61.30 H new ATOM 0 HG2 GLU B 49 10.708 3.545 8.488 1.00 41.21 H new ATOM 0 HG3 GLU B 49 9.456 3.292 7.288 1.00 41.21 H new ATOM 2044 N ASN B 50 8.712 8.052 6.481 1.00 12.24 N ATOM 2045 CA ASN B 50 8.619 9.409 5.864 1.00 73.04 C ATOM 2046 C ASN B 50 9.513 9.548 4.597 1.00 1.13 C ATOM 2047 O ASN B 50 9.896 10.652 4.206 1.00 23.13 O ATOM 2048 CB ASN B 50 8.925 10.527 6.912 1.00 41.24 C ATOM 2049 CG ASN B 50 8.003 10.462 8.139 1.00 33.15 C ATOM 2050 OD1 ASN B 50 6.910 11.018 8.144 1.00 3.23 O ATOM 2051 ND2 ASN B 50 8.435 9.791 9.192 1.00 35.21 N ATOM 0 H ASN B 50 7.832 7.538 6.430 1.00 12.24 H new ATOM 0 HA ASN B 50 7.589 9.537 5.530 1.00 73.04 H new ATOM 0 HB2 ASN B 50 9.962 10.440 7.237 1.00 41.24 H new ATOM 0 HB3 ASN B 50 8.821 11.502 6.437 1.00 41.24 H new ATOM 0 HD21 ASN B 50 7.856 9.728 10.029 1.00 35.21 H new ATOM 0 HD22 ASN B 50 9.347 9.336 9.167 1.00 35.21 H new ATOM 2058 N LYS B 51 9.771 8.405 3.929 1.00 74.13 N ATOM 2059 CA LYS B 51 10.740 8.296 2.805 1.00 4.35 C ATOM 2060 C LYS B 51 10.104 8.423 1.392 1.00 1.05 C ATOM 2061 O LYS B 51 10.830 8.350 0.392 1.00 4.13 O ATOM 2062 CB LYS B 51 11.500 6.949 2.941 1.00 75.42 C ATOM 2063 CG LYS B 51 12.593 6.946 4.036 1.00 73.25 C ATOM 2064 CD LYS B 51 13.027 5.526 4.447 1.00 33.30 C ATOM 2065 CE LYS B 51 13.512 4.650 3.287 1.00 23.40 C ATOM 2066 NZ LYS B 51 13.715 3.251 3.727 1.00 64.24 N ATOM 0 H LYS B 51 9.312 7.522 4.152 1.00 74.13 H new ATOM 0 HA LYS B 51 11.420 9.145 2.883 1.00 4.35 H new ATOM 0 HB2 LYS B 51 10.781 6.159 3.159 1.00 75.42 H new ATOM 0 HB3 LYS B 51 11.960 6.706 1.983 1.00 75.42 H new ATOM 0 HG2 LYS B 51 13.462 7.496 3.676 1.00 73.25 H new ATOM 0 HG3 LYS B 51 12.222 7.475 4.914 1.00 73.25 H new ATOM 0 HD2 LYS B 51 13.825 5.603 5.186 1.00 33.30 H new ATOM 0 HD3 LYS B 51 12.188 5.030 4.934 1.00 33.30 H new ATOM 0 HE2 LYS B 51 12.784 4.678 2.476 1.00 23.40 H new ATOM 0 HE3 LYS B 51 14.446 5.049 2.891 1.00 23.40 H new ATOM 0 HZ1 LYS B 51 13.776 2.631 2.895 1.00 64.24 H new ATOM 0 HZ2 LYS B 51 14.597 3.184 4.275 1.00 64.24 H new ATOM 0 HZ3 LYS B 51 12.915 2.954 4.322 1.00 64.24 H new ATOM 2080 N VAL B 52 8.772 8.611 1.299 1.00 2.21 N ATOM 2081 CA VAL B 52 8.069 8.782 -0.006 1.00 73.44 C ATOM 2082 C VAL B 52 7.177 10.046 -0.036 1.00 60.32 C ATOM 2083 O VAL B 52 6.683 10.499 1.003 1.00 70.22 O ATOM 2084 CB VAL B 52 7.191 7.521 -0.387 1.00 23.23 C ATOM 2085 CG1 VAL B 52 8.083 6.299 -0.709 1.00 13.14 C ATOM 2086 CG2 VAL B 52 6.159 7.188 0.727 1.00 42.41 C ATOM 0 H VAL B 52 8.153 8.650 2.109 1.00 2.21 H new ATOM 0 HA VAL B 52 8.862 8.895 -0.745 1.00 73.44 H new ATOM 0 HB VAL B 52 6.629 7.771 -1.287 1.00 23.23 H new ATOM 0 HG11 VAL B 52 7.454 5.447 -0.967 1.00 13.14 H new ATOM 0 HG12 VAL B 52 8.736 6.536 -1.549 1.00 13.14 H new ATOM 0 HG13 VAL B 52 8.689 6.051 0.162 1.00 13.14 H new ATOM 0 HG21 VAL B 52 5.574 6.317 0.432 1.00 42.41 H new ATOM 0 HG22 VAL B 52 6.685 6.974 1.658 1.00 42.41 H new ATOM 0 HG23 VAL B 52 5.494 8.039 0.873 1.00 42.41 H new ATOM 2096 N VAL B 53 7.000 10.602 -1.251 1.00 43.34 N ATOM 2097 CA VAL B 53 6.005 11.656 -1.557 1.00 44.44 C ATOM 2098 C VAL B 53 4.901 11.043 -2.451 1.00 73.32 C ATOM 2099 O VAL B 53 5.195 10.508 -3.516 1.00 53.23 O ATOM 2100 CB VAL B 53 6.658 12.892 -2.295 1.00 11.22 C ATOM 2101 CG1 VAL B 53 5.602 13.987 -2.647 1.00 34.24 C ATOM 2102 CG2 VAL B 53 7.836 13.477 -1.472 1.00 74.43 C ATOM 0 H VAL B 53 7.553 10.328 -2.063 1.00 43.34 H new ATOM 0 HA VAL B 53 5.589 12.021 -0.618 1.00 44.44 H new ATOM 0 HB VAL B 53 7.062 12.529 -3.240 1.00 11.22 H new ATOM 0 HG11 VAL B 53 6.094 14.818 -3.153 1.00 34.24 H new ATOM 0 HG12 VAL B 53 4.842 13.562 -3.302 1.00 34.24 H new ATOM 0 HG13 VAL B 53 5.132 14.347 -1.732 1.00 34.24 H new ATOM 0 HG21 VAL B 53 8.266 14.326 -2.004 1.00 74.43 H new ATOM 0 HG22 VAL B 53 7.472 13.806 -0.499 1.00 74.43 H new ATOM 0 HG23 VAL B 53 8.599 12.711 -1.334 1.00 74.43 H new ATOM 2112 N ILE B 54 3.635 11.119 -2.021 1.00 25.12 N ATOM 2113 CA ILE B 54 2.502 10.477 -2.720 1.00 31.15 C ATOM 2114 C ILE B 54 1.550 11.565 -3.250 1.00 25.44 C ATOM 2115 O ILE B 54 1.108 12.453 -2.504 1.00 53.53 O ATOM 2116 CB ILE B 54 1.771 9.456 -1.764 1.00 34.14 C ATOM 2117 CG1 ILE B 54 2.779 8.328 -1.335 1.00 54.44 C ATOM 2118 CG2 ILE B 54 0.487 8.862 -2.406 1.00 33.41 C ATOM 2119 CD1 ILE B 54 2.235 7.305 -0.359 1.00 44.14 C ATOM 0 H ILE B 54 3.362 11.626 -1.179 1.00 25.12 H new ATOM 0 HA ILE B 54 2.867 9.904 -3.572 1.00 31.15 H new ATOM 0 HB ILE B 54 1.440 9.995 -0.876 1.00 34.14 H new ATOM 0 HG12 ILE B 54 3.117 7.807 -2.231 1.00 54.44 H new ATOM 0 HG13 ILE B 54 3.656 8.798 -0.890 1.00 54.44 H new ATOM 0 HG21 ILE B 54 0.021 8.166 -1.709 1.00 33.41 H new ATOM 0 HG22 ILE B 54 -0.211 9.667 -2.636 1.00 33.41 H new ATOM 0 HG23 ILE B 54 0.749 8.336 -3.324 1.00 33.41 H new ATOM 0 HD11 ILE B 54 3.010 6.573 -0.129 1.00 44.14 H new ATOM 0 HD12 ILE B 54 1.926 7.806 0.558 1.00 44.14 H new ATOM 0 HD13 ILE B 54 1.378 6.799 -0.803 1.00 44.14 H new ATOM 2131 N GLU B 55 1.263 11.495 -4.556 1.00 63.32 N ATOM 2132 CA GLU B 55 0.563 12.560 -5.287 1.00 72.32 C ATOM 2133 C GLU B 55 -0.411 11.976 -6.333 1.00 43.41 C ATOM 2134 O GLU B 55 -0.030 11.124 -7.138 1.00 2.34 O ATOM 2135 CB GLU B 55 1.628 13.471 -5.952 1.00 54.31 C ATOM 2136 CG GLU B 55 1.085 14.672 -6.733 1.00 71.32 C ATOM 2137 CD GLU B 55 0.167 15.591 -5.910 1.00 22.23 C ATOM 2138 OE1 GLU B 55 0.691 16.459 -5.196 1.00 22.41 O ATOM 2139 OE2 GLU B 55 -1.077 15.433 -5.960 1.00 34.24 O ATOM 0 H GLU B 55 1.511 10.695 -5.138 1.00 63.32 H new ATOM 0 HA GLU B 55 -0.042 13.146 -4.595 1.00 72.32 H new ATOM 0 HB2 GLU B 55 2.299 13.840 -5.176 1.00 54.31 H new ATOM 0 HB3 GLU B 55 2.228 12.862 -6.629 1.00 54.31 H new ATOM 0 HG2 GLU B 55 1.924 15.257 -7.109 1.00 71.32 H new ATOM 0 HG3 GLU B 55 0.535 14.309 -7.601 1.00 71.32 H new ATOM 2146 N ARG B 56 -1.673 12.446 -6.304 1.00 2.12 N ATOM 2147 CA ARG B 56 -2.708 12.051 -7.279 1.00 31.34 C ATOM 2148 C ARG B 56 -2.779 13.075 -8.422 1.00 54.42 C ATOM 2149 O ARG B 56 -3.371 14.151 -8.289 1.00 32.43 O ATOM 2150 CB ARG B 56 -4.086 11.883 -6.590 1.00 65.31 C ATOM 2151 CG ARG B 56 -4.171 10.649 -5.674 1.00 72.51 C ATOM 2152 CD ARG B 56 -5.578 10.430 -5.100 1.00 32.21 C ATOM 2153 NE ARG B 56 -5.680 9.149 -4.375 1.00 44.22 N ATOM 2154 CZ ARG B 56 -6.571 8.880 -3.451 1.00 21.52 C ATOM 2155 NH1 ARG B 56 -7.417 9.774 -3.050 1.00 35.40 N ATOM 2156 NH2 ARG B 56 -6.623 7.696 -2.941 1.00 35.10 N ATOM 0 H ARG B 56 -2.004 13.110 -5.604 1.00 2.12 H new ATOM 0 HA ARG B 56 -2.434 11.084 -7.702 1.00 31.34 H new ATOM 0 HB2 ARG B 56 -4.301 12.776 -6.003 1.00 65.31 H new ATOM 0 HB3 ARG B 56 -4.859 11.811 -7.355 1.00 65.31 H new ATOM 0 HG2 ARG B 56 -3.871 9.764 -6.235 1.00 72.51 H new ATOM 0 HG3 ARG B 56 -3.462 10.762 -4.854 1.00 72.51 H new ATOM 0 HD2 ARG B 56 -5.828 11.250 -4.426 1.00 32.21 H new ATOM 0 HD3 ARG B 56 -6.308 10.449 -5.909 1.00 32.21 H new ATOM 0 HE ARG B 56 -5.008 8.419 -4.610 1.00 44.22 H new ATOM 0 HH11 ARG B 56 -7.399 10.710 -3.454 1.00 35.40 H new ATOM 0 HH12 ARG B 56 -8.101 9.542 -2.330 1.00 35.40 H new ATOM 0 HH21 ARG B 56 -5.973 6.976 -3.257 1.00 35.10 H new ATOM 0 HH22 ARG B 56 -7.314 7.480 -2.222 1.00 35.10 H new ATOM 2170 N LYS B 57 -2.132 12.735 -9.531 1.00 53.25 N ATOM 2171 CA LYS B 57 -2.101 13.565 -10.745 1.00 70.55 C ATOM 2172 C LYS B 57 -3.015 12.944 -11.814 1.00 52.32 C ATOM 2173 O LYS B 57 -2.855 11.775 -12.173 1.00 55.32 O ATOM 2174 CB LYS B 57 -0.643 13.696 -11.240 1.00 74.04 C ATOM 2175 CG LYS B 57 0.254 14.466 -10.252 1.00 12.22 C ATOM 2176 CD LYS B 57 1.736 14.527 -10.670 1.00 5.00 C ATOM 2177 CE LYS B 57 1.962 15.260 -12.005 1.00 43.44 C ATOM 2178 NZ LYS B 57 1.486 16.667 -11.956 1.00 25.20 N ATOM 0 H LYS B 57 -1.606 11.866 -9.621 1.00 53.25 H new ATOM 0 HA LYS B 57 -2.473 14.567 -10.529 1.00 70.55 H new ATOM 0 HB2 LYS B 57 -0.228 12.701 -11.402 1.00 74.04 H new ATOM 0 HB3 LYS B 57 -0.635 14.205 -12.204 1.00 74.04 H new ATOM 0 HG2 LYS B 57 -0.126 15.482 -10.148 1.00 12.22 H new ATOM 0 HG3 LYS B 57 0.183 13.997 -9.271 1.00 12.22 H new ATOM 0 HD2 LYS B 57 2.307 15.027 -9.888 1.00 5.00 H new ATOM 0 HD3 LYS B 57 2.126 13.512 -10.750 1.00 5.00 H new ATOM 0 HE2 LYS B 57 3.024 15.245 -12.251 1.00 43.44 H new ATOM 0 HE3 LYS B 57 1.442 14.729 -12.802 1.00 43.44 H new ATOM 0 HZ1 LYS B 57 1.763 17.158 -12.830 1.00 25.20 H new ATOM 0 HZ2 LYS B 57 0.450 16.680 -11.865 1.00 25.20 H new ATOM 0 HZ3 LYS B 57 1.912 17.149 -11.139 1.00 25.20 H new ATOM 2192 N ASN B 58 -3.990 13.755 -12.288 1.00 51.31 N ATOM 2193 CA ASN B 58 -5.092 13.329 -13.192 1.00 53.53 C ATOM 2194 C ASN B 58 -5.947 12.201 -12.543 1.00 11.15 C ATOM 2195 O ASN B 58 -6.576 11.392 -13.238 1.00 54.32 O ATOM 2196 CB ASN B 58 -4.532 12.896 -14.578 1.00 73.10 C ATOM 2197 CG ASN B 58 -3.677 13.983 -15.242 1.00 31.41 C ATOM 2198 OD1 ASN B 58 -4.180 14.841 -15.959 1.00 11.15 O ATOM 2199 ND2 ASN B 58 -2.376 13.951 -15.009 1.00 41.24 N ATOM 0 H ASN B 58 -4.036 14.746 -12.049 1.00 51.31 H new ATOM 0 HA ASN B 58 -5.750 14.183 -13.352 1.00 53.53 H new ATOM 0 HB2 ASN B 58 -3.933 11.993 -14.456 1.00 73.10 H new ATOM 0 HB3 ASN B 58 -5.362 12.641 -15.236 1.00 73.10 H new ATOM 0 HD21 ASN B 58 -1.765 14.651 -15.430 1.00 41.24 H new ATOM 0 HD22 ASN B 58 -1.983 13.226 -14.408 1.00 41.24 H new ATOM 2206 N GLY B 59 -6.012 12.217 -11.193 1.00 25.44 N ATOM 2207 CA GLY B 59 -6.679 11.163 -10.402 1.00 73.30 C ATOM 2208 C GLY B 59 -5.750 10.003 -9.986 1.00 52.14 C ATOM 2209 O GLY B 59 -5.971 9.360 -8.953 1.00 33.32 O ATOM 0 H GLY B 59 -5.604 12.959 -10.624 1.00 25.44 H new ATOM 0 HA2 GLY B 59 -7.105 11.612 -9.505 1.00 73.30 H new ATOM 0 HA3 GLY B 59 -7.509 10.759 -10.982 1.00 73.30 H new ATOM 2213 N LEU B 60 -4.699 9.743 -10.790 1.00 55.14 N ATOM 2214 CA LEU B 60 -3.818 8.553 -10.637 1.00 31.23 C ATOM 2215 C LEU B 60 -2.577 8.864 -9.759 1.00 52.32 C ATOM 2216 O LEU B 60 -1.946 9.912 -9.904 1.00 11.25 O ATOM 2217 CB LEU B 60 -3.368 8.012 -12.031 1.00 14.44 C ATOM 2218 CG LEU B 60 -4.480 7.344 -12.925 1.00 0.54 C ATOM 2219 CD1 LEU B 60 -5.499 8.366 -13.472 1.00 51.21 C ATOM 2220 CD2 LEU B 60 -3.852 6.525 -14.075 1.00 22.41 C ATOM 0 H LEU B 60 -4.432 10.349 -11.566 1.00 55.14 H new ATOM 0 HA LEU B 60 -4.402 7.784 -10.131 1.00 31.23 H new ATOM 0 HB2 LEU B 60 -2.932 8.839 -12.592 1.00 14.44 H new ATOM 0 HB3 LEU B 60 -2.575 7.281 -11.872 1.00 14.44 H new ATOM 0 HG LEU B 60 -5.032 6.664 -12.276 1.00 0.54 H new ATOM 0 HD11 LEU B 60 -6.241 7.850 -14.081 1.00 51.21 H new ATOM 0 HD12 LEU B 60 -5.996 8.866 -12.640 1.00 51.21 H new ATOM 0 HD13 LEU B 60 -4.981 9.106 -14.082 1.00 51.21 H new ATOM 0 HD21 LEU B 60 -4.643 6.075 -14.676 1.00 22.41 H new ATOM 0 HD22 LEU B 60 -3.249 7.182 -14.702 1.00 22.41 H new ATOM 0 HD23 LEU B 60 -3.221 5.739 -13.660 1.00 22.41 H new ATOM 2232 N ILE B 61 -2.230 7.918 -8.870 1.00 2.13 N ATOM 2233 CA ILE B 61 -1.112 8.058 -7.907 1.00 12.13 C ATOM 2234 C ILE B 61 0.271 7.786 -8.567 1.00 24.03 C ATOM 2235 O ILE B 61 0.429 6.828 -9.334 1.00 64.22 O ATOM 2236 CB ILE B 61 -1.304 7.065 -6.694 1.00 74.11 C ATOM 2237 CG1 ILE B 61 -2.693 7.285 -6.017 1.00 2.32 C ATOM 2238 CG2 ILE B 61 -0.156 7.192 -5.657 1.00 20.52 C ATOM 2239 CD1 ILE B 61 -2.996 6.358 -4.850 1.00 43.33 C ATOM 0 H ILE B 61 -2.718 7.026 -8.795 1.00 2.13 H new ATOM 0 HA ILE B 61 -1.127 9.090 -7.556 1.00 12.13 H new ATOM 0 HB ILE B 61 -1.270 6.051 -7.092 1.00 74.11 H new ATOM 0 HG12 ILE B 61 -2.750 8.316 -5.666 1.00 2.32 H new ATOM 0 HG13 ILE B 61 -3.471 7.161 -6.771 1.00 2.32 H new ATOM 0 HG21 ILE B 61 -0.326 6.492 -4.839 1.00 20.52 H new ATOM 0 HG22 ILE B 61 0.795 6.964 -6.138 1.00 20.52 H new ATOM 0 HG23 ILE B 61 -0.130 8.209 -5.265 1.00 20.52 H new ATOM 0 HD11 ILE B 61 -3.982 6.590 -4.448 1.00 43.33 H new ATOM 0 HD12 ILE B 61 -2.978 5.323 -5.193 1.00 43.33 H new ATOM 0 HD13 ILE B 61 -2.245 6.496 -4.072 1.00 43.33 H new ATOM 2251 N GLU B 62 1.265 8.646 -8.245 1.00 14.10 N ATOM 2252 CA GLU B 62 2.700 8.411 -8.543 1.00 43.25 C ATOM 2253 C GLU B 62 3.500 8.423 -7.221 1.00 1.12 C ATOM 2254 O GLU B 62 3.317 9.320 -6.383 1.00 0.45 O ATOM 2255 CB GLU B 62 3.269 9.490 -9.504 1.00 62.31 C ATOM 2256 CG GLU B 62 2.645 9.499 -10.909 1.00 75.13 C ATOM 2257 CD GLU B 62 3.318 10.501 -11.862 1.00 5.05 C ATOM 2258 OE1 GLU B 62 4.408 10.189 -12.398 1.00 63.43 O ATOM 2259 OE2 GLU B 62 2.779 11.605 -12.074 1.00 74.23 O ATOM 0 H GLU B 62 1.094 9.531 -7.767 1.00 14.10 H new ATOM 0 HA GLU B 62 2.793 7.443 -9.035 1.00 43.25 H new ATOM 0 HB2 GLU B 62 3.124 10.471 -9.052 1.00 62.31 H new ATOM 0 HB3 GLU B 62 4.344 9.339 -9.601 1.00 62.31 H new ATOM 0 HG2 GLU B 62 2.713 8.499 -11.336 1.00 75.13 H new ATOM 0 HG3 GLU B 62 1.585 9.740 -10.828 1.00 75.13 H new ATOM 2266 N ILE B 63 4.364 7.412 -7.028 1.00 4.21 N ATOM 2267 CA ILE B 63 5.230 7.301 -5.840 1.00 40.23 C ATOM 2268 C ILE B 63 6.602 7.979 -6.104 1.00 64.33 C ATOM 2269 O ILE B 63 7.394 7.497 -6.920 1.00 71.22 O ATOM 2270 CB ILE B 63 5.442 5.787 -5.437 1.00 55.50 C ATOM 2271 CG1 ILE B 63 4.074 5.013 -5.395 1.00 3.43 C ATOM 2272 CG2 ILE B 63 6.203 5.665 -4.088 1.00 30.43 C ATOM 2273 CD1 ILE B 63 3.005 5.629 -4.507 1.00 43.34 C ATOM 0 H ILE B 63 4.482 6.647 -7.692 1.00 4.21 H new ATOM 0 HA ILE B 63 4.737 7.812 -5.013 1.00 40.23 H new ATOM 0 HB ILE B 63 6.060 5.322 -6.206 1.00 55.50 H new ATOM 0 HG12 ILE B 63 3.684 4.944 -6.410 1.00 3.43 H new ATOM 0 HG13 ILE B 63 4.262 3.994 -5.055 1.00 3.43 H new ATOM 0 HG21 ILE B 63 6.333 4.612 -3.838 1.00 30.43 H new ATOM 0 HG22 ILE B 63 7.180 6.141 -4.177 1.00 30.43 H new ATOM 0 HG23 ILE B 63 5.630 6.157 -3.301 1.00 30.43 H new ATOM 0 HD11 ILE B 63 2.102 5.020 -4.548 1.00 43.34 H new ATOM 0 HD12 ILE B 63 3.366 5.673 -3.480 1.00 43.34 H new ATOM 0 HD13 ILE B 63 2.779 6.637 -4.855 1.00 43.34 H new ATOM 2285 N TYR B 64 6.835 9.127 -5.447 1.00 11.22 N ATOM 2286 CA TYR B 64 8.117 9.874 -5.484 1.00 70.41 C ATOM 2287 C TYR B 64 8.981 9.537 -4.240 1.00 63.10 C ATOM 2288 O TYR B 64 8.505 8.898 -3.299 1.00 70.05 O ATOM 2289 CB TYR B 64 7.840 11.406 -5.532 1.00 33.35 C ATOM 2290 CG TYR B 64 6.940 11.875 -6.693 1.00 71.45 C ATOM 2291 CD1 TYR B 64 5.543 11.892 -6.573 1.00 2.12 C ATOM 2292 CD2 TYR B 64 7.482 12.303 -7.909 1.00 15.35 C ATOM 2293 CE1 TYR B 64 4.735 12.310 -7.616 1.00 32.02 C ATOM 2294 CE2 TYR B 64 6.673 12.720 -8.954 1.00 21.50 C ATOM 2295 CZ TYR B 64 5.306 12.719 -8.803 1.00 34.23 C ATOM 2296 OH TYR B 64 4.506 13.127 -9.846 1.00 32.03 O ATOM 0 H TYR B 64 6.129 9.576 -4.863 1.00 11.22 H new ATOM 0 HA TYR B 64 8.663 9.578 -6.380 1.00 70.41 H new ATOM 0 HB2 TYR B 64 7.377 11.705 -4.591 1.00 33.35 H new ATOM 0 HB3 TYR B 64 8.794 11.929 -5.599 1.00 33.35 H new ATOM 0 HD1 TYR B 64 5.088 11.572 -5.647 1.00 2.12 H new ATOM 0 HD2 TYR B 64 8.554 12.309 -8.036 1.00 15.35 H new ATOM 0 HE1 TYR B 64 3.661 12.316 -7.501 1.00 32.02 H new ATOM 0 HE2 TYR B 64 7.115 13.045 -9.884 1.00 21.50 H new ATOM 0 HH TYR B 64 5.067 13.383 -10.608 1.00 32.03 H new ATOM 2306 N ASN B 65 10.256 9.968 -4.255 1.00 1.12 N ATOM 2307 CA ASN B 65 11.200 9.775 -3.121 1.00 71.51 C ATOM 2308 C ASN B 65 11.325 11.075 -2.274 1.00 73.53 C ATOM 2309 O ASN B 65 11.077 12.181 -2.768 1.00 61.33 O ATOM 2310 CB ASN B 65 12.583 9.326 -3.686 1.00 52.11 C ATOM 2311 CG ASN B 65 13.556 8.725 -2.651 1.00 44.14 C ATOM 2312 OD1 ASN B 65 13.579 9.083 -1.482 1.00 74.41 O ATOM 2313 ND2 ASN B 65 14.383 7.798 -3.085 1.00 70.44 N ATOM 0 H ASN B 65 10.667 10.460 -5.048 1.00 1.12 H new ATOM 0 HA ASN B 65 10.819 8.999 -2.456 1.00 71.51 H new ATOM 0 HB2 ASN B 65 12.414 8.589 -4.471 1.00 52.11 H new ATOM 0 HB3 ASN B 65 13.062 10.186 -4.154 1.00 52.11 H new ATOM 0 HD21 ASN B 65 15.052 7.371 -2.444 1.00 70.44 H new ATOM 0 HD22 ASN B 65 14.355 7.507 -4.062 1.00 70.44 H new ATOM 2320 N GLU B 66 11.703 10.903 -0.992 1.00 74.33 N ATOM 2321 CA GLU B 66 12.017 12.006 -0.047 1.00 33.22 C ATOM 2322 C GLU B 66 13.256 12.819 -0.524 1.00 51.32 C ATOM 2323 O GLU B 66 13.281 14.054 -0.422 1.00 25.24 O ATOM 2324 CB GLU B 66 12.235 11.392 1.374 1.00 71.53 C ATOM 2325 CG GLU B 66 12.390 12.381 2.564 1.00 23.42 C ATOM 2326 CD GLU B 66 13.800 12.980 2.727 1.00 32.45 C ATOM 2327 OE1 GLU B 66 14.746 12.218 3.038 1.00 72.13 O ATOM 2328 OE2 GLU B 66 13.972 14.207 2.559 1.00 53.30 O ATOM 0 H GLU B 66 11.802 9.979 -0.571 1.00 74.33 H new ATOM 0 HA GLU B 66 11.186 12.710 -0.009 1.00 33.22 H new ATOM 0 HB2 GLU B 66 11.393 10.735 1.590 1.00 71.53 H new ATOM 0 HB3 GLU B 66 13.127 10.766 1.338 1.00 71.53 H new ATOM 0 HG2 GLU B 66 11.677 13.196 2.436 1.00 23.42 H new ATOM 0 HG3 GLU B 66 12.122 11.864 3.485 1.00 23.42 H new