USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 623 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 50 THR OG1 : rot 51:sc= -2.53! USER MOD Set 1.2: A 67 THR OG1 : rot 130:sc= -0.714 USER MOD Set 1.3: A 69 ASN : amide:sc= 0.497 K(o=-2.7,f=-18!) USER MOD Set 2.1: A 22 GLN : amide:sc= -0.128 X(o=-0.2,f=-0.65) USER MOD Set 2.2: A 66 SER OG : rot 180:sc= -0.0741 USER MOD Set 3.1: A 19 LYS NZ :NH3+ -154:sc= -0.0018 (180deg=0) USER MOD Set 3.2: A 70 GLN : amide:sc= -0.728 X(o=-0.73,f=-1.2) USER MOD Single : A 7 SER OG : rot 180:sc= -1.51 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0871 USER MOD Single : A 14 ASN : amide:sc= -0.419 K(o=-0.42,f=-3!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 51:sc= 1.34 USER MOD Single : A 24 ASN : amide:sc= -1.9! K(o=-1.9!,f=-2.4) USER MOD Single : A 26 LYS NZ :NH3+ -120:sc= 0.0423 (180deg=-0.115) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -37:sc= 0.204 USER MOD Single : A 34 ASN : amide:sc= -0.418 X(o=-0.42,f=-0.42) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.888 K(o=-0.89,f=-2.4) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 150:sc= 0.00616 USER MOD Single : A 42 GLN : amide:sc= -5.3! C(o=-5.3!,f=-8.6!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 170:sc= -0.749 USER MOD Single : A 48 SER OG : rot 180:sc= -0.0249 USER MOD Single : A 49 ASN : amide:sc= -0.175 X(o=-0.18,f=-0.17) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.69 K(o=-1.7,f=-6.1!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -60:sc= 0.68 USER MOD Single : A 62 HIS : no HD1:sc= -5.23! C(o=-5.2!,f=-3.5!) USER MOD Single : A 72 ASN : amide:sc= -0.767 K(o=-0.77,f=-0.0081) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc=-0.00261 USER MOD Single : A 78 SER OG : rot 180:sc= -1.02 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 160:sc= -1.12 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.0196 X(o=-0.02,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 42 N ALA A 4 3.867 7.539 -4.027 1.00 31.13 N ATOM 43 CA ALA A 4 5.027 8.052 -4.744 1.00 24.10 C ATOM 44 C ALA A 4 4.971 9.571 -4.864 1.00 42.12 C ATOM 45 O ALA A 4 3.898 10.151 -5.038 1.00 4.13 O ATOM 46 CB ALA A 4 5.120 7.415 -6.122 1.00 61.45 C ATOM 0 HA ALA A 4 5.919 7.792 -4.175 1.00 24.10 H new ATOM 0 HB1 ALA A 4 5.991 7.808 -6.646 1.00 61.45 H new ATOM 0 HB2 ALA A 4 5.216 6.334 -6.018 1.00 61.45 H new ATOM 0 HB3 ALA A 4 4.220 7.646 -6.691 1.00 61.45 H new ATOM 52 N LEU A 5 6.132 10.211 -4.770 1.00 73.43 N ATOM 53 CA LEU A 5 6.215 11.664 -4.868 1.00 34.20 C ATOM 54 C LEU A 5 5.501 12.167 -6.119 1.00 12.15 C ATOM 55 O LEU A 5 5.337 11.431 -7.091 1.00 73.33 O ATOM 56 CB LEU A 5 7.677 12.111 -4.887 1.00 64.30 C ATOM 57 CG LEU A 5 8.479 11.838 -3.614 1.00 22.10 C ATOM 58 CD1 LEU A 5 9.962 11.720 -3.932 1.00 33.40 C ATOM 59 CD2 LEU A 5 8.238 12.934 -2.587 1.00 1.25 C ATOM 0 H LEU A 5 7.029 9.746 -4.626 1.00 73.43 H new ATOM 0 HA LEU A 5 5.723 12.091 -3.994 1.00 34.20 H new ATOM 0 HB2 LEU A 5 8.176 11.617 -5.720 1.00 64.30 H new ATOM 0 HB3 LEU A 5 7.706 13.182 -5.088 1.00 64.30 H new ATOM 0 HG LEU A 5 8.143 10.891 -3.192 1.00 22.10 H new ATOM 0 HD11 LEU A 5 10.517 11.526 -3.014 1.00 33.40 H new ATOM 0 HD12 LEU A 5 10.120 10.899 -4.632 1.00 33.40 H new ATOM 0 HD13 LEU A 5 10.314 12.650 -4.378 1.00 33.40 H new ATOM 0 HD21 LEU A 5 8.817 12.723 -1.688 1.00 1.25 H new ATOM 0 HD22 LEU A 5 8.547 13.894 -3.000 1.00 1.25 H new ATOM 0 HD23 LEU A 5 7.178 12.971 -2.336 1.00 1.25 H new ATOM 71 N VAL A 6 5.080 13.428 -6.087 1.00 30.44 N ATOM 72 CA VAL A 6 4.387 14.031 -7.218 1.00 52.05 C ATOM 73 C VAL A 6 4.646 15.532 -7.285 1.00 15.04 C ATOM 74 O VAL A 6 5.083 16.052 -8.311 1.00 3.33 O ATOM 75 CB VAL A 6 2.868 13.786 -7.142 1.00 62.22 C ATOM 76 CG1 VAL A 6 2.156 14.481 -8.293 1.00 64.30 C ATOM 77 CG2 VAL A 6 2.569 12.294 -7.142 1.00 41.33 C ATOM 0 H VAL A 6 5.207 14.051 -5.290 1.00 30.44 H new ATOM 0 HA VAL A 6 4.779 13.557 -8.118 1.00 52.05 H new ATOM 0 HB VAL A 6 2.496 14.208 -6.209 1.00 62.22 H new ATOM 0 HG11 VAL A 6 1.084 14.296 -8.222 1.00 64.30 H new ATOM 0 HG12 VAL A 6 2.344 15.554 -8.242 1.00 64.30 H new ATOM 0 HG13 VAL A 6 2.529 14.092 -9.240 1.00 64.30 H new ATOM 0 HG21 VAL A 6 1.491 12.139 -7.088 1.00 41.33 H new ATOM 0 HG22 VAL A 6 2.955 11.846 -8.058 1.00 41.33 H new ATOM 0 HG23 VAL A 6 3.046 11.827 -6.280 1.00 41.33 H new ATOM 87 N SER A 7 4.372 16.223 -6.183 1.00 3.14 N ATOM 88 CA SER A 7 4.572 17.666 -6.116 1.00 3.01 C ATOM 89 C SER A 7 4.712 18.129 -4.669 1.00 22.22 C ATOM 90 O SER A 7 4.482 17.360 -3.735 1.00 34.00 O ATOM 91 CB SER A 7 3.406 18.395 -6.786 1.00 2.40 C ATOM 92 OG SER A 7 2.978 17.711 -7.950 1.00 61.35 O ATOM 0 H SER A 7 4.011 15.807 -5.325 1.00 3.14 H new ATOM 0 HA SER A 7 5.494 17.905 -6.646 1.00 3.01 H new ATOM 0 HB2 SER A 7 2.576 18.481 -6.085 1.00 2.40 H new ATOM 0 HB3 SER A 7 3.709 19.409 -7.047 1.00 2.40 H new ATOM 0 HG SER A 7 2.231 18.196 -8.359 1.00 61.35 H new ATOM 98 N ILE A 8 5.092 19.390 -4.492 1.00 35.23 N ATOM 99 CA ILE A 8 5.261 19.956 -3.159 1.00 64.13 C ATOM 100 C ILE A 8 4.847 21.423 -3.128 1.00 54.04 C ATOM 101 O ILE A 8 4.876 22.109 -4.150 1.00 60.33 O ATOM 102 CB ILE A 8 6.720 19.836 -2.678 1.00 54.15 C ATOM 103 CG1 ILE A 8 7.615 20.810 -3.448 1.00 31.42 C ATOM 104 CG2 ILE A 8 7.216 18.408 -2.844 1.00 22.41 C ATOM 105 CD1 ILE A 8 7.790 22.144 -2.758 1.00 14.25 C ATOM 0 H ILE A 8 5.289 20.039 -5.254 1.00 35.23 H new ATOM 0 HA ILE A 8 4.617 19.385 -2.490 1.00 64.13 H new ATOM 0 HB ILE A 8 6.761 20.093 -1.620 1.00 54.15 H new ATOM 0 HG12 ILE A 8 8.594 20.354 -3.593 1.00 31.42 H new ATOM 0 HG13 ILE A 8 7.191 20.975 -4.438 1.00 31.42 H new ATOM 0 HG21 ILE A 8 8.248 18.339 -2.500 1.00 22.41 H new ATOM 0 HG22 ILE A 8 6.592 17.735 -2.256 1.00 22.41 H new ATOM 0 HG23 ILE A 8 7.164 18.125 -3.895 1.00 22.41 H new ATOM 0 HD11 ILE A 8 8.436 22.783 -3.360 1.00 14.25 H new ATOM 0 HD12 ILE A 8 6.818 22.621 -2.637 1.00 14.25 H new ATOM 0 HD13 ILE A 8 8.243 21.990 -1.779 1.00 14.25 H new ATOM 117 N SER A 9 4.462 21.899 -1.948 1.00 71.25 N ATOM 118 CA SER A 9 4.039 23.285 -1.784 1.00 61.31 C ATOM 119 C SER A 9 4.967 24.026 -0.826 1.00 61.23 C ATOM 120 O SER A 9 4.953 23.785 0.381 1.00 41.11 O ATOM 121 CB SER A 9 2.601 23.343 -1.266 1.00 53.21 C ATOM 122 OG SER A 9 1.868 22.197 -1.664 1.00 25.03 O ATOM 0 H SER A 9 4.434 21.345 -1.092 1.00 71.25 H new ATOM 0 HA SER A 9 4.087 23.772 -2.758 1.00 61.31 H new ATOM 0 HB2 SER A 9 2.606 23.416 -0.178 1.00 53.21 H new ATOM 0 HB3 SER A 9 2.111 24.241 -1.643 1.00 53.21 H new ATOM 0 HG SER A 9 0.953 22.258 -1.319 1.00 25.03 H new ATOM 128 N VAL A 10 5.774 24.929 -1.374 1.00 53.23 N ATOM 129 CA VAL A 10 6.708 25.707 -0.570 1.00 44.31 C ATOM 130 C VAL A 10 6.442 27.202 -0.710 1.00 34.23 C ATOM 131 O VAL A 10 6.221 27.703 -1.812 1.00 51.11 O ATOM 132 CB VAL A 10 8.168 25.418 -0.969 1.00 12.03 C ATOM 133 CG1 VAL A 10 8.624 24.085 -0.395 1.00 1.43 C ATOM 134 CG2 VAL A 10 8.320 25.436 -2.482 1.00 53.02 C ATOM 0 H VAL A 10 5.799 25.140 -2.372 1.00 53.23 H new ATOM 0 HA VAL A 10 6.556 25.409 0.467 1.00 44.31 H new ATOM 0 HB VAL A 10 8.802 26.201 -0.554 1.00 12.03 H new ATOM 0 HG11 VAL A 10 9.657 23.898 -0.687 1.00 1.43 H new ATOM 0 HG12 VAL A 10 8.554 24.114 0.692 1.00 1.43 H new ATOM 0 HG13 VAL A 10 7.988 23.287 -0.779 1.00 1.43 H new ATOM 0 HG21 VAL A 10 9.357 25.230 -2.746 1.00 53.02 H new ATOM 0 HG22 VAL A 10 7.676 24.675 -2.921 1.00 53.02 H new ATOM 0 HG23 VAL A 10 8.036 26.416 -2.865 1.00 53.02 H new ATOM 144 N SER A 11 6.464 27.909 0.415 1.00 0.05 N ATOM 145 CA SER A 11 6.221 29.347 0.420 1.00 63.14 C ATOM 146 C SER A 11 7.465 30.107 0.870 1.00 63.40 C ATOM 147 O SER A 11 7.497 30.719 1.937 1.00 3.34 O ATOM 148 CB SER A 11 5.044 29.684 1.337 1.00 40.14 C ATOM 149 OG SER A 11 3.843 29.101 0.860 1.00 3.34 O ATOM 0 H SER A 11 6.648 27.509 1.335 1.00 0.05 H new ATOM 0 HA SER A 11 5.978 29.653 -0.598 1.00 63.14 H new ATOM 0 HB2 SER A 11 5.250 29.326 2.346 1.00 40.14 H new ATOM 0 HB3 SER A 11 4.927 30.766 1.401 1.00 40.14 H new ATOM 0 HG SER A 11 3.106 29.330 1.464 1.00 3.34 H new ATOM 155 N PRO A 12 8.516 30.066 0.037 1.00 11.41 N ATOM 156 CA PRO A 12 9.782 30.746 0.327 1.00 63.50 C ATOM 157 C PRO A 12 9.656 32.263 0.252 1.00 5.32 C ATOM 158 O PRO A 12 8.783 32.792 -0.437 1.00 31.44 O ATOM 159 CB PRO A 12 10.719 30.232 -0.769 1.00 62.12 C ATOM 160 CG PRO A 12 9.816 29.850 -1.891 1.00 3.10 C ATOM 161 CD PRO A 12 8.548 29.355 -1.252 1.00 3.31 C ATOM 0 HA PRO A 12 10.133 30.540 1.338 1.00 63.50 H new ATOM 0 HB2 PRO A 12 11.428 31.001 -1.076 1.00 62.12 H new ATOM 0 HB3 PRO A 12 11.303 29.379 -0.423 1.00 62.12 H new ATOM 0 HG2 PRO A 12 9.619 30.703 -2.541 1.00 3.10 H new ATOM 0 HG3 PRO A 12 10.269 29.076 -2.510 1.00 3.10 H new ATOM 0 HD2 PRO A 12 7.674 29.587 -1.861 1.00 3.31 H new ATOM 0 HD3 PRO A 12 8.563 28.274 -1.114 1.00 3.31 H new ATOM 169 N THR A 13 10.535 32.961 0.965 1.00 1.41 N ATOM 170 CA THR A 13 10.522 34.419 0.980 1.00 73.40 C ATOM 171 C THR A 13 11.812 34.986 0.400 1.00 3.22 C ATOM 172 O THR A 13 12.886 34.829 0.980 1.00 71.02 O ATOM 173 CB THR A 13 10.330 34.964 2.408 1.00 42.23 C ATOM 174 OG1 THR A 13 9.088 34.499 2.947 1.00 11.42 O ATOM 175 CG2 THR A 13 10.354 36.485 2.414 1.00 40.25 C ATOM 0 H THR A 13 11.265 32.540 1.540 1.00 1.41 H new ATOM 0 HA THR A 13 9.681 34.734 0.363 1.00 73.40 H new ATOM 0 HB THR A 13 11.152 34.601 3.025 1.00 42.23 H new ATOM 0 HG1 THR A 13 8.974 34.848 3.856 1.00 11.42 H new ATOM 0 HG21 THR A 13 10.217 36.847 3.433 1.00 40.25 H new ATOM 0 HG22 THR A 13 11.312 36.835 2.031 1.00 40.25 H new ATOM 0 HG23 THR A 13 9.550 36.864 1.783 1.00 40.25 H new ATOM 183 N ASN A 14 11.699 35.648 -0.747 1.00 65.52 N ATOM 184 CA ASN A 14 12.859 36.239 -1.406 1.00 14.15 C ATOM 185 C ASN A 14 12.938 37.737 -1.125 1.00 23.45 C ATOM 186 O ASN A 14 12.334 38.544 -1.831 1.00 4.14 O ATOM 187 CB ASN A 14 12.794 35.995 -2.915 1.00 21.35 C ATOM 188 CG ASN A 14 11.403 36.216 -3.477 1.00 62.40 C ATOM 189 OD1 ASN A 14 10.596 36.944 -2.899 1.00 44.33 O ATOM 190 ND2 ASN A 14 11.116 35.585 -4.610 1.00 44.21 N ATOM 0 H ASN A 14 10.817 35.789 -1.239 1.00 65.52 H new ATOM 0 HA ASN A 14 13.755 35.764 -1.006 1.00 14.15 H new ATOM 0 HB2 ASN A 14 13.496 36.660 -3.418 1.00 21.35 H new ATOM 0 HB3 ASN A 14 13.112 34.975 -3.129 1.00 21.35 H new ATOM 0 HD21 ASN A 14 10.195 35.694 -5.036 1.00 44.21 H new ATOM 0 HD22 ASN A 14 11.816 34.991 -5.055 1.00 44.21 H new ATOM 197 N SER A 15 13.688 38.100 -0.089 1.00 22.31 N ATOM 198 CA SER A 15 13.845 39.500 0.288 1.00 71.31 C ATOM 199 C SER A 15 15.138 39.711 1.069 1.00 23.50 C ATOM 200 O SER A 15 15.964 38.804 1.183 1.00 44.22 O ATOM 201 CB SER A 15 12.650 39.962 1.124 1.00 72.41 C ATOM 202 OG SER A 15 12.270 41.284 0.784 1.00 62.10 O ATOM 0 H SER A 15 14.196 37.444 0.504 1.00 22.31 H new ATOM 0 HA SER A 15 13.892 40.093 -0.625 1.00 71.31 H new ATOM 0 HB2 SER A 15 11.809 39.287 0.966 1.00 72.41 H new ATOM 0 HB3 SER A 15 12.903 39.914 2.183 1.00 72.41 H new ATOM 0 HG SER A 15 11.503 41.555 1.331 1.00 62.10 H new ATOM 208 N THR A 16 15.308 40.915 1.607 1.00 61.44 N ATOM 209 CA THR A 16 16.500 41.247 2.376 1.00 23.21 C ATOM 210 C THR A 16 16.161 41.472 3.845 1.00 5.12 C ATOM 211 O THR A 16 15.095 41.992 4.174 1.00 3.22 O ATOM 212 CB THR A 16 17.194 42.506 1.822 1.00 32.21 C ATOM 213 OG1 THR A 16 18.176 42.974 2.753 1.00 62.41 O ATOM 214 CG2 THR A 16 16.180 43.607 1.551 1.00 71.12 C ATOM 0 H THR A 16 14.634 41.676 1.524 1.00 61.44 H new ATOM 0 HA THR A 16 17.179 40.399 2.288 1.00 23.21 H new ATOM 0 HB THR A 16 17.681 42.242 0.883 1.00 32.21 H new ATOM 0 HG1 THR A 16 18.766 42.233 3.006 1.00 62.41 H new ATOM 0 HG21 THR A 16 16.693 44.486 1.161 1.00 71.12 H new ATOM 0 HG22 THR A 16 15.451 43.258 0.820 1.00 71.12 H new ATOM 0 HG23 THR A 16 15.669 43.867 2.478 1.00 71.12 H new ATOM 222 N VAL A 17 17.076 41.078 4.726 1.00 72.21 N ATOM 223 CA VAL A 17 16.874 41.239 6.161 1.00 64.41 C ATOM 224 C VAL A 17 18.134 41.769 6.837 1.00 53.44 C ATOM 225 O VAL A 17 19.243 41.585 6.337 1.00 21.33 O ATOM 226 CB VAL A 17 16.471 39.908 6.824 1.00 65.23 C ATOM 227 CG1 VAL A 17 17.639 38.932 6.816 1.00 55.32 C ATOM 228 CG2 VAL A 17 15.976 40.148 8.242 1.00 62.12 C ATOM 0 H VAL A 17 17.964 40.645 4.471 1.00 72.21 H new ATOM 0 HA VAL A 17 16.066 41.959 6.288 1.00 64.41 H new ATOM 0 HB VAL A 17 15.657 39.467 6.249 1.00 65.23 H new ATOM 0 HG11 VAL A 17 17.336 37.998 7.288 1.00 55.32 H new ATOM 0 HG12 VAL A 17 17.943 38.737 5.788 1.00 55.32 H new ATOM 0 HG13 VAL A 17 18.476 39.362 7.366 1.00 55.32 H new ATOM 0 HG21 VAL A 17 15.696 39.197 8.695 1.00 62.12 H new ATOM 0 HG22 VAL A 17 16.768 40.611 8.830 1.00 62.12 H new ATOM 0 HG23 VAL A 17 15.109 40.808 8.218 1.00 62.12 H new ATOM 238 N ALA A 18 17.954 42.430 7.976 1.00 72.41 N ATOM 239 CA ALA A 18 19.076 42.985 8.722 1.00 12.41 C ATOM 240 C ALA A 18 19.896 41.883 9.383 1.00 71.43 C ATOM 241 O ALA A 18 19.401 40.779 9.612 1.00 31.22 O ATOM 242 CB ALA A 18 18.577 43.973 9.767 1.00 45.03 C ATOM 0 H ALA A 18 17.042 42.594 8.402 1.00 72.41 H new ATOM 0 HA ALA A 18 19.723 43.510 8.019 1.00 12.41 H new ATOM 0 HB1 ALA A 18 19.425 44.380 10.317 1.00 45.03 H new ATOM 0 HB2 ALA A 18 18.041 44.784 9.274 1.00 45.03 H new ATOM 0 HB3 ALA A 18 17.907 43.463 10.459 1.00 45.03 H new ATOM 248 N LYS A 19 21.153 42.188 9.686 1.00 61.50 N ATOM 249 CA LYS A 19 22.043 41.223 10.321 1.00 21.20 C ATOM 250 C LYS A 19 21.395 40.620 11.563 1.00 11.34 C ATOM 251 O LYS A 19 20.841 41.337 12.396 1.00 25.02 O ATOM 252 CB LYS A 19 23.368 41.891 10.697 1.00 72.52 C ATOM 253 CG LYS A 19 24.590 41.137 10.202 1.00 45.42 C ATOM 254 CD LYS A 19 25.536 40.798 11.342 1.00 34.21 C ATOM 255 CE LYS A 19 26.174 39.431 11.149 1.00 71.25 C ATOM 256 NZ LYS A 19 27.182 39.135 12.204 1.00 61.03 N ATOM 0 H LYS A 19 21.579 43.096 9.502 1.00 61.50 H new ATOM 0 HA LYS A 19 22.237 40.421 9.608 1.00 21.20 H new ATOM 0 HB2 LYS A 19 23.385 42.902 10.289 1.00 72.52 H new ATOM 0 HB3 LYS A 19 23.423 41.984 11.782 1.00 72.52 H new ATOM 0 HG2 LYS A 19 24.276 40.220 9.704 1.00 45.42 H new ATOM 0 HG3 LYS A 19 25.114 41.739 9.460 1.00 45.42 H new ATOM 0 HD2 LYS A 19 26.315 41.558 11.408 1.00 34.21 H new ATOM 0 HD3 LYS A 19 24.991 40.816 12.286 1.00 34.21 H new ATOM 0 HE2 LYS A 19 25.400 38.664 11.161 1.00 71.25 H new ATOM 0 HE3 LYS A 19 26.650 39.388 10.169 1.00 71.25 H new ATOM 0 HZ1 LYS A 19 27.882 38.460 11.835 1.00 61.03 H new ATOM 0 HZ2 LYS A 19 27.662 40.015 12.482 1.00 61.03 H new ATOM 0 HZ3 LYS A 19 26.707 38.723 13.032 1.00 61.03 H new ATOM 270 N GLY A 20 21.469 39.298 11.682 1.00 31.00 N ATOM 271 CA GLY A 20 20.886 38.622 12.827 1.00 44.15 C ATOM 272 C GLY A 20 19.374 38.551 12.750 1.00 1.43 C ATOM 273 O GLY A 20 18.679 39.458 13.210 1.00 13.21 O ATOM 0 H GLY A 20 21.922 38.683 11.006 1.00 31.00 H new ATOM 0 HA2 GLY A 20 21.291 37.612 12.894 1.00 44.15 H new ATOM 0 HA3 GLY A 20 21.176 39.143 13.739 1.00 44.15 H new ATOM 277 N LEU A 21 18.863 37.473 12.167 1.00 54.11 N ATOM 278 CA LEU A 21 17.422 37.288 12.030 1.00 21.10 C ATOM 279 C LEU A 21 17.097 35.870 11.571 1.00 15.14 C ATOM 280 O LEU A 21 17.862 35.257 10.828 1.00 5.42 O ATOM 281 CB LEU A 21 16.850 38.301 11.037 1.00 12.34 C ATOM 282 CG LEU A 21 15.582 39.033 11.481 1.00 62.34 C ATOM 283 CD1 LEU A 21 14.435 38.051 11.661 1.00 31.02 C ATOM 284 CD2 LEU A 21 15.834 39.804 12.768 1.00 41.11 C ATOM 0 H LEU A 21 19.424 36.714 11.781 1.00 54.11 H new ATOM 0 HA LEU A 21 16.965 37.448 13.007 1.00 21.10 H new ATOM 0 HB2 LEU A 21 17.618 39.044 10.823 1.00 12.34 H new ATOM 0 HB3 LEU A 21 16.638 37.783 10.102 1.00 12.34 H new ATOM 0 HG LEU A 21 15.305 39.745 10.704 1.00 62.34 H new ATOM 0 HD11 LEU A 21 13.541 38.589 11.977 1.00 31.02 H new ATOM 0 HD12 LEU A 21 14.238 37.544 10.716 1.00 31.02 H new ATOM 0 HD13 LEU A 21 14.702 37.315 12.419 1.00 31.02 H new ATOM 0 HD21 LEU A 21 14.921 40.318 13.069 1.00 41.11 H new ATOM 0 HD22 LEU A 21 16.136 39.112 13.554 1.00 41.11 H new ATOM 0 HD23 LEU A 21 16.626 40.535 12.605 1.00 41.11 H new ATOM 296 N GLN A 22 15.955 35.357 12.018 1.00 31.31 N ATOM 297 CA GLN A 22 15.528 34.011 11.652 1.00 52.52 C ATOM 298 C GLN A 22 14.147 34.036 11.005 1.00 33.01 C ATOM 299 O GLN A 22 13.259 34.767 11.443 1.00 4.23 O ATOM 300 CB GLN A 22 15.511 33.106 12.884 1.00 31.42 C ATOM 301 CG GLN A 22 16.845 33.040 13.609 1.00 24.23 C ATOM 302 CD GLN A 22 16.891 33.937 14.831 1.00 72.43 C ATOM 303 OE1 GLN A 22 15.917 34.037 15.578 1.00 41.53 O ATOM 304 NE2 GLN A 22 18.025 34.594 15.041 1.00 42.22 N ATOM 0 H GLN A 22 15.310 35.852 12.633 1.00 31.31 H new ATOM 0 HA GLN A 22 16.241 33.614 10.929 1.00 52.52 H new ATOM 0 HB2 GLN A 22 14.748 33.463 13.576 1.00 31.42 H new ATOM 0 HB3 GLN A 22 15.221 32.100 12.581 1.00 31.42 H new ATOM 0 HG2 GLN A 22 17.039 32.011 13.911 1.00 24.23 H new ATOM 0 HG3 GLN A 22 17.642 33.327 12.923 1.00 24.23 H new ATOM 0 HE21 GLN A 22 18.807 34.481 14.396 1.00 42.22 H new ATOM 0 HE22 GLN A 22 18.115 35.212 15.848 1.00 42.22 H new ATOM 313 N GLU A 23 13.973 33.232 9.961 1.00 43.14 N ATOM 314 CA GLU A 23 12.700 33.164 9.253 1.00 31.45 C ATOM 315 C GLU A 23 12.128 31.750 9.299 1.00 34.33 C ATOM 316 O GLU A 23 12.852 30.770 9.129 1.00 72.11 O ATOM 317 CB GLU A 23 12.874 33.608 7.800 1.00 51.22 C ATOM 318 CG GLU A 23 13.039 35.110 7.638 1.00 2.03 C ATOM 319 CD GLU A 23 11.936 35.895 8.321 1.00 52.14 C ATOM 320 OE1 GLU A 23 10.752 35.549 8.125 1.00 62.22 O ATOM 321 OE2 GLU A 23 12.257 36.856 9.051 1.00 53.12 O ATOM 0 H GLU A 23 14.697 32.619 9.587 1.00 43.14 H new ATOM 0 HA GLU A 23 12.001 33.837 9.749 1.00 31.45 H new ATOM 0 HB2 GLU A 23 13.746 33.108 7.378 1.00 51.22 H new ATOM 0 HB3 GLU A 23 12.009 33.282 7.223 1.00 51.22 H new ATOM 0 HG2 GLU A 23 14.003 35.412 8.048 1.00 2.03 H new ATOM 0 HG3 GLU A 23 13.053 35.358 6.577 1.00 2.03 H new ATOM 328 N ASN A 24 10.823 31.653 9.531 1.00 15.24 N ATOM 329 CA ASN A 24 10.152 30.360 9.601 1.00 22.21 C ATOM 330 C ASN A 24 9.527 29.998 8.257 1.00 12.13 C ATOM 331 O ASN A 24 8.963 30.852 7.573 1.00 42.23 O ATOM 332 CB ASN A 24 9.076 30.378 10.689 1.00 62.43 C ATOM 333 CG ASN A 24 9.418 31.322 11.825 1.00 51.43 C ATOM 334 OD1 ASN A 24 9.356 32.542 11.672 1.00 14.52 O ATOM 335 ND2 ASN A 24 9.782 30.761 12.972 1.00 51.03 N ATOM 0 H ASN A 24 10.209 32.455 9.674 1.00 15.24 H new ATOM 0 HA ASN A 24 10.898 29.605 9.850 1.00 22.21 H new ATOM 0 HB2 ASN A 24 8.123 30.673 10.249 1.00 62.43 H new ATOM 0 HB3 ASN A 24 8.946 29.371 11.084 1.00 62.43 H new ATOM 0 HD21 ASN A 24 10.024 31.346 13.772 1.00 51.03 H new ATOM 0 HD22 ASN A 24 9.819 29.745 13.054 1.00 51.03 H new ATOM 342 N PHE A 25 9.630 28.726 7.886 1.00 0.31 N ATOM 343 CA PHE A 25 9.075 28.251 6.624 1.00 21.21 C ATOM 344 C PHE A 25 8.527 26.834 6.770 1.00 5.13 C ATOM 345 O PHE A 25 8.843 26.129 7.729 1.00 4.52 O ATOM 346 CB PHE A 25 10.142 28.287 5.528 1.00 71.32 C ATOM 347 CG PHE A 25 10.728 29.652 5.306 1.00 23.35 C ATOM 348 CD1 PHE A 25 10.059 30.592 4.539 1.00 21.35 C ATOM 349 CD2 PHE A 25 11.949 29.995 5.865 1.00 21.41 C ATOM 350 CE1 PHE A 25 10.596 31.849 4.334 1.00 33.21 C ATOM 351 CE2 PHE A 25 12.490 31.250 5.664 1.00 44.14 C ATOM 352 CZ PHE A 25 11.814 32.178 4.896 1.00 34.02 C ATOM 0 H PHE A 25 10.092 28.006 8.441 1.00 0.31 H new ATOM 0 HA PHE A 25 8.255 28.912 6.345 1.00 21.21 H new ATOM 0 HB2 PHE A 25 10.943 27.595 5.789 1.00 71.32 H new ATOM 0 HB3 PHE A 25 9.705 27.932 4.595 1.00 71.32 H new ATOM 0 HD1 PHE A 25 9.107 30.340 4.096 1.00 21.35 H new ATOM 0 HD2 PHE A 25 12.483 29.273 6.464 1.00 21.41 H new ATOM 0 HE1 PHE A 25 10.064 32.573 3.735 1.00 33.21 H new ATOM 0 HE2 PHE A 25 13.441 31.506 6.107 1.00 44.14 H new ATOM 0 HZ PHE A 25 12.237 33.159 4.735 1.00 34.02 H new ATOM 362 N LYS A 26 7.704 26.423 5.812 1.00 14.13 N ATOM 363 CA LYS A 26 7.111 25.091 5.832 1.00 60.04 C ATOM 364 C LYS A 26 6.973 24.537 4.417 1.00 34.53 C ATOM 365 O LYS A 26 6.896 25.292 3.449 1.00 1.21 O ATOM 366 CB LYS A 26 5.741 25.130 6.512 1.00 72.30 C ATOM 367 CG LYS A 26 5.510 23.983 7.481 1.00 61.12 C ATOM 368 CD LYS A 26 5.751 24.411 8.919 1.00 70.22 C ATOM 369 CE LYS A 26 5.690 23.226 9.871 1.00 62.15 C ATOM 370 NZ LYS A 26 6.838 23.217 10.819 1.00 64.43 N ATOM 0 H LYS A 26 7.432 26.993 5.011 1.00 14.13 H new ATOM 0 HA LYS A 26 7.771 24.434 6.398 1.00 60.04 H new ATOM 0 HB2 LYS A 26 5.637 26.074 7.048 1.00 72.30 H new ATOM 0 HB3 LYS A 26 4.964 25.111 5.747 1.00 72.30 H new ATOM 0 HG2 LYS A 26 4.489 23.617 7.376 1.00 61.12 H new ATOM 0 HG3 LYS A 26 6.173 23.155 7.231 1.00 61.12 H new ATOM 0 HD2 LYS A 26 6.726 24.893 8.998 1.00 70.22 H new ATOM 0 HD3 LYS A 26 5.005 25.151 9.209 1.00 70.22 H new ATOM 0 HE2 LYS A 26 4.756 23.258 10.432 1.00 62.15 H new ATOM 0 HE3 LYS A 26 5.685 22.299 9.297 1.00 62.15 H new ATOM 0 HZ1 LYS A 26 7.383 22.340 10.696 1.00 64.43 H new ATOM 0 HZ2 LYS A 26 7.451 24.035 10.630 1.00 64.43 H new ATOM 0 HZ3 LYS A 26 6.483 23.269 11.795 1.00 64.43 H new ATOM 384 N ALA A 27 6.940 23.213 4.306 1.00 33.42 N ATOM 385 CA ALA A 27 6.807 22.558 3.011 1.00 73.32 C ATOM 386 C ALA A 27 5.844 21.378 3.088 1.00 20.34 C ATOM 387 O ALA A 27 5.907 20.571 4.017 1.00 64.45 O ATOM 388 CB ALA A 27 8.168 22.099 2.509 1.00 31.22 C ATOM 0 H ALA A 27 7.004 22.573 5.098 1.00 33.42 H new ATOM 0 HA ALA A 27 6.397 23.282 2.307 1.00 73.32 H new ATOM 0 HB1 ALA A 27 8.053 21.612 1.541 1.00 31.22 H new ATOM 0 HB2 ALA A 27 8.827 22.961 2.405 1.00 31.22 H new ATOM 0 HB3 ALA A 27 8.600 21.395 3.221 1.00 31.22 H new ATOM 394 N THR A 28 4.951 21.283 2.108 1.00 62.41 N ATOM 395 CA THR A 28 3.974 20.202 2.066 1.00 11.33 C ATOM 396 C THR A 28 4.286 19.222 0.942 1.00 72.42 C ATOM 397 O THR A 28 4.418 19.613 -0.217 1.00 64.41 O ATOM 398 CB THR A 28 2.545 20.745 1.877 1.00 34.33 C ATOM 399 OG1 THR A 28 2.421 22.028 2.500 1.00 4.14 O ATOM 400 CG2 THR A 28 1.520 19.788 2.468 1.00 21.03 C ATOM 0 H THR A 28 4.884 21.942 1.332 1.00 62.41 H new ATOM 0 HA THR A 28 4.035 19.683 3.023 1.00 11.33 H new ATOM 0 HB THR A 28 2.356 20.841 0.808 1.00 34.33 H new ATOM 0 HG1 THR A 28 1.510 22.366 2.373 1.00 4.14 H new ATOM 0 HG21 THR A 28 0.518 20.193 2.323 1.00 21.03 H new ATOM 0 HG22 THR A 28 1.596 18.821 1.971 1.00 21.03 H new ATOM 0 HG23 THR A 28 1.710 19.664 3.534 1.00 21.03 H new ATOM 408 N GLY A 29 4.401 17.944 1.292 1.00 63.03 N ATOM 409 CA GLY A 29 4.696 16.927 0.300 1.00 63.25 C ATOM 410 C GLY A 29 3.443 16.288 -0.266 1.00 64.10 C ATOM 411 O GLY A 29 2.471 16.068 0.456 1.00 31.54 O ATOM 0 H GLY A 29 4.295 17.595 2.245 1.00 63.03 H new ATOM 0 HA2 GLY A 29 5.272 17.372 -0.512 1.00 63.25 H new ATOM 0 HA3 GLY A 29 5.322 16.156 0.750 1.00 63.25 H new ATOM 415 N ILE A 30 3.465 15.991 -1.561 1.00 44.41 N ATOM 416 CA ILE A 30 2.322 15.375 -2.222 1.00 62.25 C ATOM 417 C ILE A 30 2.667 13.978 -2.729 1.00 3.43 C ATOM 418 O ILE A 30 3.815 13.699 -3.077 1.00 75.41 O ATOM 419 CB ILE A 30 1.827 16.229 -3.404 1.00 43.44 C ATOM 420 CG1 ILE A 30 1.646 17.685 -2.969 1.00 33.11 C ATOM 421 CG2 ILE A 30 0.524 15.669 -3.954 1.00 62.23 C ATOM 422 CD1 ILE A 30 0.654 17.859 -1.840 1.00 30.51 C ATOM 0 H ILE A 30 4.262 16.167 -2.173 1.00 44.41 H new ATOM 0 HA ILE A 30 1.529 15.304 -1.478 1.00 62.25 H new ATOM 0 HB ILE A 30 2.576 16.196 -4.195 1.00 43.44 H new ATOM 0 HG12 ILE A 30 2.611 18.086 -2.659 1.00 33.11 H new ATOM 0 HG13 ILE A 30 1.317 18.273 -3.825 1.00 33.11 H new ATOM 0 HG21 ILE A 30 0.187 16.284 -4.789 1.00 62.23 H new ATOM 0 HG22 ILE A 30 0.683 14.647 -4.297 1.00 62.23 H new ATOM 0 HG23 ILE A 30 -0.234 15.675 -3.171 1.00 62.23 H new ATOM 0 HD11 ILE A 30 0.576 18.916 -1.584 1.00 30.51 H new ATOM 0 HD12 ILE A 30 -0.322 17.489 -2.153 1.00 30.51 H new ATOM 0 HD13 ILE A 30 0.992 17.298 -0.969 1.00 30.51 H new ATOM 434 N PHE A 31 1.666 13.105 -2.769 1.00 3.35 N ATOM 435 CA PHE A 31 1.863 11.737 -3.233 1.00 42.23 C ATOM 436 C PHE A 31 0.807 11.357 -4.267 1.00 20.42 C ATOM 437 O PHE A 31 -0.312 11.872 -4.248 1.00 65.30 O ATOM 438 CB PHE A 31 1.813 10.763 -2.054 1.00 44.33 C ATOM 439 CG PHE A 31 3.040 10.807 -1.189 1.00 21.14 C ATOM 440 CD1 PHE A 31 3.139 11.719 -0.150 1.00 43.14 C ATOM 441 CD2 PHE A 31 4.094 9.935 -1.413 1.00 14.34 C ATOM 442 CE1 PHE A 31 4.267 11.762 0.647 1.00 23.20 C ATOM 443 CE2 PHE A 31 5.224 9.973 -0.618 1.00 40.01 C ATOM 444 CZ PHE A 31 5.310 10.887 0.414 1.00 64.13 C ATOM 0 H PHE A 31 0.710 13.321 -2.486 1.00 3.35 H new ATOM 0 HA PHE A 31 2.845 11.677 -3.703 1.00 42.23 H new ATOM 0 HB2 PHE A 31 0.939 10.989 -1.443 1.00 44.33 H new ATOM 0 HB3 PHE A 31 1.683 9.750 -2.435 1.00 44.33 H new ATOM 0 HD1 PHE A 31 2.325 12.404 0.039 1.00 43.14 H new ATOM 0 HD2 PHE A 31 4.032 9.218 -2.218 1.00 14.34 H new ATOM 0 HE1 PHE A 31 4.333 12.479 1.452 1.00 23.20 H new ATOM 0 HE2 PHE A 31 6.039 9.289 -0.804 1.00 40.01 H new ATOM 0 HZ PHE A 31 6.191 10.917 1.038 1.00 64.13 H new ATOM 454 N THR A 32 1.170 10.451 -5.170 1.00 23.24 N ATOM 455 CA THR A 32 0.256 10.002 -6.212 1.00 64.33 C ATOM 456 C THR A 32 -0.891 9.189 -5.625 1.00 35.14 C ATOM 457 O THR A 32 -1.881 8.914 -6.303 1.00 54.31 O ATOM 458 CB THR A 32 0.985 9.150 -7.269 1.00 52.32 C ATOM 459 OG1 THR A 32 0.113 8.891 -8.375 1.00 31.40 O ATOM 460 CG2 THR A 32 1.459 7.834 -6.671 1.00 42.50 C ATOM 0 H THR A 32 2.091 10.014 -5.200 1.00 23.24 H new ATOM 0 HA THR A 32 -0.144 10.897 -6.689 1.00 64.33 H new ATOM 0 HB THR A 32 1.855 9.707 -7.616 1.00 52.32 H new ATOM 0 HG1 THR A 32 -0.800 8.752 -8.046 1.00 31.40 H new ATOM 0 HG21 THR A 32 1.971 7.250 -7.436 1.00 42.50 H new ATOM 0 HG22 THR A 32 2.145 8.034 -5.848 1.00 42.50 H new ATOM 0 HG23 THR A 32 0.601 7.273 -6.300 1.00 42.50 H new ATOM 468 N ASP A 33 -0.753 8.807 -4.360 1.00 11.43 N ATOM 469 CA ASP A 33 -1.780 8.027 -3.680 1.00 33.13 C ATOM 470 C ASP A 33 -2.835 8.939 -3.062 1.00 35.14 C ATOM 471 O ASP A 33 -3.639 8.505 -2.237 1.00 43.00 O ATOM 472 CB ASP A 33 -1.151 7.148 -2.598 1.00 4.34 C ATOM 473 CG ASP A 33 -1.882 5.832 -2.422 1.00 54.21 C ATOM 474 OD1 ASP A 33 -1.994 5.080 -3.412 1.00 75.41 O ATOM 475 OD2 ASP A 33 -2.344 5.555 -1.295 1.00 2.20 O ATOM 0 H ASP A 33 0.061 9.025 -3.785 1.00 11.43 H new ATOM 0 HA ASP A 33 -2.265 7.389 -4.419 1.00 33.13 H new ATOM 0 HB2 ASP A 33 -0.110 6.950 -2.855 1.00 4.34 H new ATOM 0 HB3 ASP A 33 -1.149 7.688 -1.651 1.00 4.34 H new ATOM 480 N ASN A 34 -2.826 10.205 -3.466 1.00 11.03 N ATOM 481 CA ASN A 34 -3.781 11.179 -2.950 1.00 74.02 C ATOM 482 C ASN A 34 -3.574 11.406 -1.456 1.00 2.31 C ATOM 483 O ASN A 34 -4.432 11.973 -0.779 1.00 24.44 O ATOM 484 CB ASN A 34 -5.213 10.707 -3.212 1.00 13.54 C ATOM 485 CG ASN A 34 -5.350 9.982 -4.536 1.00 55.23 C ATOM 486 OD1 ASN A 34 -5.672 8.794 -4.576 1.00 50.50 O ATOM 487 ND2 ASN A 34 -5.106 10.696 -5.629 1.00 71.34 N ATOM 0 H ASN A 34 -2.168 10.580 -4.149 1.00 11.03 H new ATOM 0 HA ASN A 34 -3.615 12.123 -3.469 1.00 74.02 H new ATOM 0 HB2 ASN A 34 -5.528 10.046 -2.405 1.00 13.54 H new ATOM 0 HB3 ASN A 34 -5.884 11.566 -3.200 1.00 13.54 H new ATOM 0 HD21 ASN A 34 -5.183 10.262 -6.549 1.00 71.34 H new ATOM 0 HD22 ASN A 34 -4.842 11.678 -5.548 1.00 71.34 H new ATOM 494 N SER A 35 -2.429 10.961 -0.949 1.00 4.23 N ATOM 495 CA SER A 35 -2.109 11.113 0.466 1.00 61.01 C ATOM 496 C SER A 35 -0.959 12.097 0.661 1.00 72.25 C ATOM 497 O SER A 35 0.211 11.722 0.592 1.00 54.43 O ATOM 498 CB SER A 35 -1.745 9.758 1.076 1.00 2.24 C ATOM 499 OG SER A 35 -2.853 9.189 1.752 1.00 3.24 O ATOM 0 H SER A 35 -1.707 10.492 -1.497 1.00 4.23 H new ATOM 0 HA SER A 35 -2.990 11.507 0.972 1.00 61.01 H new ATOM 0 HB2 SER A 35 -1.407 9.081 0.291 1.00 2.24 H new ATOM 0 HB3 SER A 35 -0.914 9.880 1.771 1.00 2.24 H new ATOM 0 HG SER A 35 -2.595 8.323 2.131 1.00 3.24 H new ATOM 505 N ASN A 36 -1.302 13.358 0.904 1.00 73.51 N ATOM 506 CA ASN A 36 -0.300 14.397 1.108 1.00 23.31 C ATOM 507 C ASN A 36 0.039 14.542 2.589 1.00 45.05 C ATOM 508 O ASN A 36 -0.832 14.426 3.450 1.00 71.31 O ATOM 509 CB ASN A 36 -0.800 15.733 0.554 1.00 25.44 C ATOM 510 CG ASN A 36 -1.679 15.559 -0.669 1.00 21.22 C ATOM 511 OD1 ASN A 36 -1.453 14.668 -1.488 1.00 31.22 O ATOM 512 ND2 ASN A 36 -2.688 16.412 -0.798 1.00 10.31 N ATOM 0 H ASN A 36 -2.266 13.685 0.964 1.00 73.51 H new ATOM 0 HA ASN A 36 0.604 14.106 0.573 1.00 23.31 H new ATOM 0 HB2 ASN A 36 -1.359 16.258 1.328 1.00 25.44 H new ATOM 0 HB3 ASN A 36 0.054 16.360 0.298 1.00 25.44 H new ATOM 0 HD21 ASN A 36 -3.314 16.344 -1.601 1.00 10.31 H new ATOM 0 HD22 ASN A 36 -2.838 17.135 -0.094 1.00 10.31 H new ATOM 519 N SER A 37 1.312 14.798 2.876 1.00 33.52 N ATOM 520 CA SER A 37 1.767 14.956 4.252 1.00 24.24 C ATOM 521 C SER A 37 2.678 16.173 4.387 1.00 71.54 C ATOM 522 O SER A 37 3.174 16.703 3.393 1.00 50.14 O ATOM 523 CB SER A 37 2.506 13.698 4.715 1.00 11.42 C ATOM 524 OG SER A 37 1.602 12.631 4.943 1.00 61.11 O ATOM 0 H SER A 37 2.045 14.900 2.174 1.00 33.52 H new ATOM 0 HA SER A 37 0.891 15.108 4.883 1.00 24.24 H new ATOM 0 HB2 SER A 37 3.238 13.404 3.962 1.00 11.42 H new ATOM 0 HB3 SER A 37 3.058 13.913 5.630 1.00 11.42 H new ATOM 0 HG SER A 37 2.099 11.839 5.236 1.00 61.11 H new ATOM 530 N ASP A 38 2.893 16.609 5.623 1.00 52.03 N ATOM 531 CA ASP A 38 3.744 17.763 5.889 1.00 23.41 C ATOM 532 C ASP A 38 5.207 17.344 6.001 1.00 30.02 C ATOM 533 O ASP A 38 5.539 16.399 6.717 1.00 31.40 O ATOM 534 CB ASP A 38 3.302 18.464 7.174 1.00 12.11 C ATOM 535 CG ASP A 38 4.068 19.748 7.426 1.00 20.33 C ATOM 536 OD1 ASP A 38 4.197 20.556 6.483 1.00 24.13 O ATOM 537 OD2 ASP A 38 4.539 19.944 8.566 1.00 21.24 O ATOM 0 H ASP A 38 2.490 16.181 6.457 1.00 52.03 H new ATOM 0 HA ASP A 38 3.646 18.457 5.054 1.00 23.41 H new ATOM 0 HB2 ASP A 38 2.236 18.686 7.115 1.00 12.11 H new ATOM 0 HB3 ASP A 38 3.441 17.789 8.019 1.00 12.11 H new ATOM 542 N ILE A 39 6.076 18.053 5.289 1.00 61.12 N ATOM 543 CA ILE A 39 7.503 17.755 5.309 1.00 73.43 C ATOM 544 C ILE A 39 7.749 16.251 5.377 1.00 41.22 C ATOM 545 O ILE A 39 8.597 15.783 6.137 1.00 1.04 O ATOM 546 CB ILE A 39 8.203 18.433 6.501 1.00 21.30 C ATOM 547 CG1 ILE A 39 7.591 17.955 7.819 1.00 30.43 C ATOM 548 CG2 ILE A 39 8.104 19.946 6.383 1.00 52.23 C ATOM 549 CD1 ILE A 39 8.301 18.488 9.044 1.00 63.22 C ATOM 0 H ILE A 39 5.817 18.838 4.691 1.00 61.12 H new ATOM 0 HA ILE A 39 7.921 18.148 4.382 1.00 73.43 H new ATOM 0 HB ILE A 39 9.257 18.156 6.490 1.00 21.30 H new ATOM 0 HG12 ILE A 39 6.545 18.258 7.855 1.00 30.43 H new ATOM 0 HG13 ILE A 39 7.609 16.865 7.844 1.00 30.43 H new ATOM 0 HG21 ILE A 39 8.604 20.411 7.233 1.00 52.23 H new ATOM 0 HG22 ILE A 39 8.582 20.271 5.459 1.00 52.23 H new ATOM 0 HG23 ILE A 39 7.055 20.242 6.372 1.00 52.23 H new ATOM 0 HD11 ILE A 39 7.813 18.108 9.942 1.00 63.22 H new ATOM 0 HD12 ILE A 39 9.341 18.163 9.032 1.00 63.22 H new ATOM 0 HD13 ILE A 39 8.261 19.577 9.043 1.00 63.22 H new ATOM 561 N THR A 40 7.003 15.498 4.575 1.00 60.22 N ATOM 562 CA THR A 40 7.140 14.047 4.543 1.00 43.22 C ATOM 563 C THR A 40 8.595 13.637 4.343 1.00 74.25 C ATOM 564 O THR A 40 9.091 12.730 5.011 1.00 63.13 O ATOM 565 CB THR A 40 6.285 13.426 3.422 1.00 14.55 C ATOM 566 OG1 THR A 40 6.558 12.025 3.317 1.00 34.21 O ATOM 567 CG2 THR A 40 6.564 14.104 2.090 1.00 51.34 C ATOM 0 H THR A 40 6.297 15.869 3.939 1.00 60.22 H new ATOM 0 HA THR A 40 6.789 13.675 5.506 1.00 43.22 H new ATOM 0 HB THR A 40 5.234 13.573 3.673 1.00 14.55 H new ATOM 0 HG1 THR A 40 5.756 11.558 3.001 1.00 34.21 H new ATOM 0 HG21 THR A 40 5.949 13.649 1.314 1.00 51.34 H new ATOM 0 HG22 THR A 40 6.327 15.165 2.165 1.00 51.34 H new ATOM 0 HG23 THR A 40 7.617 13.985 1.835 1.00 51.34 H new ATOM 575 N ASP A 41 9.273 14.310 3.420 1.00 54.13 N ATOM 576 CA ASP A 41 10.672 14.016 3.133 1.00 51.33 C ATOM 577 C ASP A 41 11.594 14.938 3.924 1.00 2.24 C ATOM 578 O ASP A 41 12.817 14.812 3.860 1.00 54.43 O ATOM 579 CB ASP A 41 10.949 14.161 1.635 1.00 32.34 C ATOM 580 CG ASP A 41 10.835 12.842 0.896 1.00 41.11 C ATOM 581 OD1 ASP A 41 9.714 12.497 0.469 1.00 33.41 O ATOM 582 OD2 ASP A 41 11.867 12.155 0.745 1.00 43.34 O ATOM 0 H ASP A 41 8.876 15.063 2.858 1.00 54.13 H new ATOM 0 HA ASP A 41 10.871 12.987 3.434 1.00 51.33 H new ATOM 0 HB2 ASP A 41 10.247 14.876 1.206 1.00 32.34 H new ATOM 0 HB3 ASP A 41 11.949 14.570 1.491 1.00 32.34 H new ATOM 587 N GLN A 42 10.999 15.864 4.669 1.00 3.25 N ATOM 588 CA GLN A 42 11.768 16.808 5.472 1.00 42.11 C ATOM 589 C GLN A 42 12.601 17.726 4.583 1.00 24.22 C ATOM 590 O GLN A 42 13.759 17.433 4.282 1.00 34.32 O ATOM 591 CB GLN A 42 12.678 16.059 6.447 1.00 62.44 C ATOM 592 CG GLN A 42 12.758 16.702 7.821 1.00 3.15 C ATOM 593 CD GLN A 42 11.392 16.991 8.411 1.00 11.20 C ATOM 594 OE1 GLN A 42 11.166 18.053 8.992 1.00 53.22 O ATOM 595 NE2 GLN A 42 10.472 16.045 8.265 1.00 55.34 N ATOM 0 H GLN A 42 9.988 15.981 4.733 1.00 3.25 H new ATOM 0 HA GLN A 42 11.066 17.420 6.039 1.00 42.11 H new ATOM 0 HB2 GLN A 42 12.318 15.036 6.554 1.00 62.44 H new ATOM 0 HB3 GLN A 42 13.681 16.001 6.023 1.00 62.44 H new ATOM 0 HG2 GLN A 42 13.308 16.045 8.494 1.00 3.15 H new ATOM 0 HG3 GLN A 42 13.323 17.631 7.751 1.00 3.15 H new ATOM 0 HE21 GLN A 42 10.703 15.180 7.776 1.00 55.34 H new ATOM 0 HE22 GLN A 42 9.534 16.183 8.642 1.00 55.34 H new ATOM 604 N VAL A 43 12.005 18.838 4.166 1.00 42.14 N ATOM 605 CA VAL A 43 12.692 19.800 3.312 1.00 64.53 C ATOM 606 C VAL A 43 13.908 20.391 4.017 1.00 33.12 C ATOM 607 O VAL A 43 13.780 21.061 5.043 1.00 71.32 O ATOM 608 CB VAL A 43 11.753 20.943 2.885 1.00 2.32 C ATOM 609 CG1 VAL A 43 11.036 21.524 4.094 1.00 14.11 C ATOM 610 CG2 VAL A 43 12.530 22.023 2.147 1.00 70.35 C ATOM 0 H VAL A 43 11.048 19.095 4.406 1.00 42.14 H new ATOM 0 HA VAL A 43 13.019 19.258 2.424 1.00 64.53 H new ATOM 0 HB VAL A 43 11.002 20.539 2.206 1.00 2.32 H new ATOM 0 HG11 VAL A 43 10.377 22.331 3.773 1.00 14.11 H new ATOM 0 HG12 VAL A 43 10.447 20.744 4.577 1.00 14.11 H new ATOM 0 HG13 VAL A 43 11.770 21.914 4.799 1.00 14.11 H new ATOM 0 HG21 VAL A 43 11.851 22.823 1.853 1.00 70.35 H new ATOM 0 HG22 VAL A 43 13.303 22.426 2.801 1.00 70.35 H new ATOM 0 HG23 VAL A 43 12.993 21.595 1.258 1.00 70.35 H new ATOM 620 N THR A 44 15.089 20.139 3.461 1.00 53.41 N ATOM 621 CA THR A 44 16.328 20.646 4.036 1.00 1.05 C ATOM 622 C THR A 44 16.750 21.951 3.372 1.00 50.25 C ATOM 623 O THR A 44 17.065 21.979 2.182 1.00 73.02 O ATOM 624 CB THR A 44 17.470 19.622 3.901 1.00 23.51 C ATOM 625 OG1 THR A 44 16.949 18.291 3.998 1.00 43.21 O ATOM 626 CG2 THR A 44 18.523 19.839 4.978 1.00 73.11 C ATOM 0 H THR A 44 15.213 19.586 2.613 1.00 53.41 H new ATOM 0 HA THR A 44 16.134 20.826 5.093 1.00 1.05 H new ATOM 0 HB THR A 44 17.937 19.759 2.926 1.00 23.51 H new ATOM 0 HG1 THR A 44 17.681 17.646 3.910 1.00 43.21 H new ATOM 0 HG21 THR A 44 19.319 19.104 4.862 1.00 73.11 H new ATOM 0 HG22 THR A 44 18.939 20.842 4.883 1.00 73.11 H new ATOM 0 HG23 THR A 44 18.066 19.727 5.961 1.00 73.11 H new ATOM 634 N TRP A 45 16.755 23.030 4.146 1.00 31.35 N ATOM 635 CA TRP A 45 17.139 24.339 3.631 1.00 24.04 C ATOM 636 C TRP A 45 18.593 24.651 3.968 1.00 23.22 C ATOM 637 O TRP A 45 19.073 24.321 5.053 1.00 65.43 O ATOM 638 CB TRP A 45 16.226 25.424 4.205 1.00 62.30 C ATOM 639 CG TRP A 45 14.779 25.035 4.220 1.00 32.32 C ATOM 640 CD1 TRP A 45 14.157 24.228 5.129 1.00 34.53 C ATOM 641 CD2 TRP A 45 13.774 25.435 3.282 1.00 30.21 C ATOM 642 NE1 TRP A 45 12.825 24.102 4.813 1.00 64.32 N ATOM 643 CE2 TRP A 45 12.565 24.833 3.684 1.00 4.44 C ATOM 644 CE3 TRP A 45 13.777 26.244 2.143 1.00 50.11 C ATOM 645 CZ2 TRP A 45 11.375 25.016 2.986 1.00 12.20 C ATOM 646 CZ3 TRP A 45 12.595 26.424 1.451 1.00 54.23 C ATOM 647 CH2 TRP A 45 11.407 25.813 1.874 1.00 12.43 C ATOM 0 H TRP A 45 16.497 23.024 5.133 1.00 31.35 H new ATOM 0 HA TRP A 45 17.032 24.321 2.546 1.00 24.04 H new ATOM 0 HB2 TRP A 45 16.543 25.655 5.222 1.00 62.30 H new ATOM 0 HB3 TRP A 45 16.344 26.336 3.619 1.00 62.30 H new ATOM 0 HD1 TRP A 45 14.640 23.758 5.972 1.00 34.53 H new ATOM 0 HE1 TRP A 45 12.141 23.553 5.334 1.00 64.32 H new ATOM 0 HE3 TRP A 45 14.687 26.720 1.809 1.00 50.11 H new ATOM 0 HZ2 TRP A 45 10.459 24.546 3.310 1.00 12.20 H new ATOM 0 HZ3 TRP A 45 12.586 27.047 0.569 1.00 54.23 H new ATOM 0 HH2 TRP A 45 10.499 25.974 1.312 1.00 12.43 H new ATOM 658 N ASP A 46 19.289 25.288 3.033 1.00 0.10 N ATOM 659 CA ASP A 46 20.689 25.646 3.232 1.00 72.31 C ATOM 660 C ASP A 46 21.052 26.889 2.426 1.00 71.24 C ATOM 661 O ASP A 46 20.546 27.095 1.322 1.00 24.33 O ATOM 662 CB ASP A 46 21.596 24.481 2.833 1.00 24.04 C ATOM 663 CG ASP A 46 21.899 23.558 3.998 1.00 40.24 C ATOM 664 OD1 ASP A 46 22.701 23.949 4.871 1.00 42.11 O ATOM 665 OD2 ASP A 46 21.334 22.445 4.035 1.00 63.31 O ATOM 0 H ASP A 46 18.907 25.567 2.129 1.00 0.10 H new ATOM 0 HA ASP A 46 20.836 25.866 4.289 1.00 72.31 H new ATOM 0 HB2 ASP A 46 21.120 23.910 2.035 1.00 24.04 H new ATOM 0 HB3 ASP A 46 22.530 24.873 2.431 1.00 24.04 H new ATOM 670 N SER A 47 21.930 27.715 2.985 1.00 65.23 N ATOM 671 CA SER A 47 22.358 28.940 2.320 1.00 54.40 C ATOM 672 C SER A 47 23.722 28.755 1.663 1.00 23.03 C ATOM 673 O SER A 47 24.551 27.978 2.137 1.00 31.21 O ATOM 674 CB SER A 47 22.414 30.096 3.321 1.00 34.22 C ATOM 675 OG SER A 47 21.808 31.261 2.789 1.00 4.51 O ATOM 0 H SER A 47 22.359 27.558 3.897 1.00 65.23 H new ATOM 0 HA SER A 47 21.630 29.175 1.544 1.00 54.40 H new ATOM 0 HB2 SER A 47 21.908 29.808 4.243 1.00 34.22 H new ATOM 0 HB3 SER A 47 23.452 30.308 3.579 1.00 34.22 H new ATOM 0 HG SER A 47 21.711 31.932 3.497 1.00 4.51 H new ATOM 681 N SER A 48 23.948 29.475 0.569 1.00 21.11 N ATOM 682 CA SER A 48 25.210 29.388 -0.156 1.00 62.12 C ATOM 683 C SER A 48 26.394 29.570 0.789 1.00 33.33 C ATOM 684 O SER A 48 26.969 28.597 1.275 1.00 33.15 O ATOM 685 CB SER A 48 25.260 30.443 -1.263 1.00 64.11 C ATOM 686 OG SER A 48 26.576 30.589 -1.769 1.00 0.12 O ATOM 0 H SER A 48 23.274 30.125 0.165 1.00 21.11 H new ATOM 0 HA SER A 48 25.275 28.397 -0.605 1.00 62.12 H new ATOM 0 HB2 SER A 48 24.586 30.159 -2.071 1.00 64.11 H new ATOM 0 HB3 SER A 48 24.908 31.399 -0.875 1.00 64.11 H new ATOM 0 HG SER A 48 26.581 31.267 -2.476 1.00 0.12 H new ATOM 692 N ASN A 49 26.752 30.824 1.045 1.00 74.02 N ATOM 693 CA ASN A 49 27.867 31.135 1.932 1.00 71.05 C ATOM 694 C ASN A 49 28.184 32.627 1.904 1.00 11.12 C ATOM 695 O ASN A 49 27.915 33.313 0.917 1.00 21.12 O ATOM 696 CB ASN A 49 29.105 30.332 1.529 1.00 62.34 C ATOM 697 CG ASN A 49 29.543 29.363 2.610 1.00 20.11 C ATOM 698 OD1 ASN A 49 29.553 28.149 2.405 1.00 51.12 O ATOM 699 ND2 ASN A 49 29.908 29.897 3.770 1.00 34.21 N ATOM 0 H ASN A 49 26.286 31.641 0.651 1.00 74.02 H new ATOM 0 HA ASN A 49 27.579 30.862 2.947 1.00 71.05 H new ATOM 0 HB2 ASN A 49 28.894 29.779 0.613 1.00 62.34 H new ATOM 0 HB3 ASN A 49 29.923 31.018 1.306 1.00 62.34 H new ATOM 0 HD21 ASN A 49 30.212 29.295 4.535 1.00 34.21 H new ATOM 0 HD22 ASN A 49 29.884 30.909 3.896 1.00 34.21 H new ATOM 706 N THR A 50 28.758 33.125 2.995 1.00 21.21 N ATOM 707 CA THR A 50 29.112 34.535 3.097 1.00 34.02 C ATOM 708 C THR A 50 29.926 34.808 4.357 1.00 71.14 C ATOM 709 O THR A 50 31.144 34.973 4.296 1.00 64.12 O ATOM 710 CB THR A 50 27.857 35.429 3.107 1.00 44.23 C ATOM 711 OG1 THR A 50 26.693 34.638 3.370 1.00 64.23 O ATOM 712 CG2 THR A 50 27.697 36.150 1.777 1.00 52.12 C ATOM 0 H THR A 50 28.988 32.572 3.821 1.00 21.21 H new ATOM 0 HA THR A 50 29.714 34.774 2.220 1.00 34.02 H new ATOM 0 HB THR A 50 27.974 36.173 3.895 1.00 44.23 H new ATOM 0 HG1 THR A 50 26.844 34.090 4.168 1.00 64.23 H new ATOM 0 HG21 THR A 50 26.805 36.775 1.807 1.00 52.12 H new ATOM 0 HG22 THR A 50 28.572 36.774 1.594 1.00 52.12 H new ATOM 0 HG23 THR A 50 27.600 35.418 0.975 1.00 52.12 H new ATOM 720 N ASP A 51 29.246 34.854 5.497 1.00 72.42 N ATOM 721 CA ASP A 51 29.907 35.105 6.772 1.00 21.20 C ATOM 722 C ASP A 51 29.660 33.958 7.748 1.00 51.44 C ATOM 723 O ASP A 51 30.601 33.365 8.275 1.00 44.40 O ATOM 724 CB ASP A 51 29.414 36.420 7.376 1.00 13.42 C ATOM 725 CG ASP A 51 30.544 37.396 7.640 1.00 53.35 C ATOM 726 OD1 ASP A 51 31.408 37.089 8.487 1.00 63.21 O ATOM 727 OD2 ASP A 51 30.564 38.467 6.998 1.00 51.13 O ATOM 0 H ASP A 51 28.237 34.721 5.564 1.00 72.42 H new ATOM 0 HA ASP A 51 30.979 35.178 6.589 1.00 21.20 H new ATOM 0 HB2 ASP A 51 28.692 36.879 6.700 1.00 13.42 H new ATOM 0 HB3 ASP A 51 28.890 36.214 8.310 1.00 13.42 H new ATOM 732 N ILE A 52 28.388 33.653 7.983 1.00 25.23 N ATOM 733 CA ILE A 52 28.018 32.578 8.895 1.00 22.33 C ATOM 734 C ILE A 52 26.520 32.301 8.839 1.00 33.21 C ATOM 735 O ILE A 52 25.710 33.111 9.292 1.00 51.24 O ATOM 736 CB ILE A 52 28.413 32.909 10.346 1.00 5.34 C ATOM 737 CG1 ILE A 52 27.867 31.847 11.302 1.00 20.14 C ATOM 738 CG2 ILE A 52 27.903 34.290 10.732 1.00 20.42 C ATOM 739 CD1 ILE A 52 28.312 30.442 10.962 1.00 73.31 C ATOM 0 H ILE A 52 27.597 34.135 7.555 1.00 25.23 H new ATOM 0 HA ILE A 52 28.562 31.690 8.573 1.00 22.33 H new ATOM 0 HB ILE A 52 29.501 32.911 10.419 1.00 5.34 H new ATOM 0 HG12 ILE A 52 28.186 32.085 12.317 1.00 20.14 H new ATOM 0 HG13 ILE A 52 26.778 31.887 11.293 1.00 20.14 H new ATOM 0 HG21 ILE A 52 28.190 34.510 11.760 1.00 20.42 H new ATOM 0 HG22 ILE A 52 28.336 35.037 10.067 1.00 20.42 H new ATOM 0 HG23 ILE A 52 26.817 34.314 10.646 1.00 20.42 H new ATOM 0 HD11 ILE A 52 27.887 29.742 11.681 1.00 73.31 H new ATOM 0 HD12 ILE A 52 27.970 30.185 9.960 1.00 73.31 H new ATOM 0 HD13 ILE A 52 29.400 30.386 11.000 1.00 73.31 H new ATOM 751 N LEU A 53 26.157 31.150 8.283 1.00 52.54 N ATOM 752 CA LEU A 53 24.755 30.764 8.169 1.00 54.44 C ATOM 753 C LEU A 53 24.477 29.485 8.952 1.00 53.24 C ATOM 754 O LEU A 53 25.287 28.559 8.954 1.00 30.41 O ATOM 755 CB LEU A 53 24.377 30.569 6.699 1.00 31.32 C ATOM 756 CG LEU A 53 24.923 29.308 6.028 1.00 42.21 C ATOM 757 CD1 LEU A 53 23.799 28.322 5.749 1.00 43.32 C ATOM 758 CD2 LEU A 53 25.655 29.663 4.742 1.00 42.31 C ATOM 0 H LEU A 53 26.814 30.468 7.904 1.00 52.54 H new ATOM 0 HA LEU A 53 24.148 31.565 8.590 1.00 54.44 H new ATOM 0 HB2 LEU A 53 23.290 30.555 6.623 1.00 31.32 H new ATOM 0 HB3 LEU A 53 24.725 31.436 6.137 1.00 31.32 H new ATOM 0 HG LEU A 53 25.632 28.836 6.708 1.00 42.21 H new ATOM 0 HD11 LEU A 53 24.207 27.431 5.271 1.00 43.32 H new ATOM 0 HD12 LEU A 53 23.318 28.043 6.687 1.00 43.32 H new ATOM 0 HD13 LEU A 53 23.065 28.784 5.089 1.00 43.32 H new ATOM 0 HD21 LEU A 53 26.037 28.754 4.278 1.00 42.31 H new ATOM 0 HD22 LEU A 53 24.967 30.159 4.057 1.00 42.31 H new ATOM 0 HD23 LEU A 53 26.486 30.331 4.969 1.00 42.31 H new ATOM 770 N SER A 54 23.325 29.441 9.614 1.00 51.15 N ATOM 771 CA SER A 54 22.940 28.276 10.402 1.00 43.13 C ATOM 772 C SER A 54 21.469 27.936 10.186 1.00 13.22 C ATOM 773 O SER A 54 20.600 28.803 10.282 1.00 52.41 O ATOM 774 CB SER A 54 23.205 28.529 11.887 1.00 12.12 C ATOM 775 OG SER A 54 24.134 27.594 12.406 1.00 31.53 O ATOM 0 H SER A 54 22.642 30.199 9.620 1.00 51.15 H new ATOM 0 HA SER A 54 23.542 27.429 10.072 1.00 43.13 H new ATOM 0 HB2 SER A 54 23.587 29.541 12.024 1.00 12.12 H new ATOM 0 HB3 SER A 54 22.270 28.464 12.443 1.00 12.12 H new ATOM 0 HG SER A 54 24.288 27.778 13.356 1.00 31.53 H new ATOM 781 N ILE A 55 21.197 26.668 9.895 1.00 45.52 N ATOM 782 CA ILE A 55 19.832 26.213 9.667 1.00 72.03 C ATOM 783 C ILE A 55 19.406 25.200 10.724 1.00 1.45 C ATOM 784 O ILE A 55 20.200 24.361 11.150 1.00 14.10 O ATOM 785 CB ILE A 55 19.676 25.578 8.272 1.00 14.12 C ATOM 786 CG1 ILE A 55 18.197 25.502 7.885 1.00 23.12 C ATOM 787 CG2 ILE A 55 20.308 24.194 8.246 1.00 14.45 C ATOM 788 CD1 ILE A 55 17.676 26.766 7.238 1.00 62.21 C ATOM 0 H ILE A 55 21.904 25.938 9.812 1.00 45.52 H new ATOM 0 HA ILE A 55 19.192 27.093 9.731 1.00 72.03 H new ATOM 0 HB ILE A 55 20.191 26.205 7.544 1.00 14.12 H new ATOM 0 HG12 ILE A 55 18.051 24.666 7.200 1.00 23.12 H new ATOM 0 HG13 ILE A 55 17.607 25.290 8.777 1.00 23.12 H new ATOM 0 HG21 ILE A 55 20.190 23.759 7.254 1.00 14.45 H new ATOM 0 HG22 ILE A 55 21.369 24.274 8.483 1.00 14.45 H new ATOM 0 HG23 ILE A 55 19.819 23.557 8.983 1.00 14.45 H new ATOM 0 HD11 ILE A 55 16.622 26.640 6.990 1.00 62.21 H new ATOM 0 HD12 ILE A 55 17.789 27.602 7.929 1.00 62.21 H new ATOM 0 HD13 ILE A 55 18.241 26.968 6.328 1.00 62.21 H new ATOM 800 N SER A 56 18.148 25.284 11.144 1.00 55.54 N ATOM 801 CA SER A 56 17.616 24.377 12.153 1.00 31.34 C ATOM 802 C SER A 56 16.378 23.651 11.634 1.00 0.53 C ATOM 803 O SER A 56 15.379 24.279 11.284 1.00 64.41 O ATOM 804 CB SER A 56 17.272 25.146 13.431 1.00 64.43 C ATOM 805 OG SER A 56 18.439 25.671 14.039 1.00 3.10 O ATOM 0 H SER A 56 17.478 25.972 10.800 1.00 55.54 H new ATOM 0 HA SER A 56 18.382 23.636 12.379 1.00 31.34 H new ATOM 0 HB2 SER A 56 16.583 25.958 13.197 1.00 64.43 H new ATOM 0 HB3 SER A 56 16.760 24.485 14.130 1.00 64.43 H new ATOM 0 HG SER A 56 18.193 26.159 14.852 1.00 3.10 H new ATOM 811 N ASN A 57 16.453 22.325 11.588 1.00 13.33 N ATOM 812 CA ASN A 57 15.339 21.513 11.112 1.00 41.14 C ATOM 813 C ASN A 57 15.323 20.153 11.802 1.00 21.22 C ATOM 814 O ASN A 57 15.054 19.130 11.174 1.00 72.40 O ATOM 815 CB ASN A 57 15.429 21.327 9.596 1.00 72.14 C ATOM 816 CG ASN A 57 15.976 22.555 8.894 1.00 72.14 C ATOM 817 OD1 ASN A 57 17.187 22.769 8.847 1.00 23.11 O ATOM 818 ND2 ASN A 57 15.082 23.369 8.343 1.00 24.33 N ATOM 0 H ASN A 57 17.273 21.790 11.874 1.00 13.33 H new ATOM 0 HA ASN A 57 14.413 22.034 11.354 1.00 41.14 H new ATOM 0 HB2 ASN A 57 16.067 20.471 9.375 1.00 72.14 H new ATOM 0 HB3 ASN A 57 14.439 21.097 9.202 1.00 72.14 H new ATOM 0 HD21 ASN A 57 15.390 24.211 7.857 1.00 24.33 H new ATOM 0 HD22 ASN A 57 14.087 23.152 8.406 1.00 24.33 H new ATOM 825 N ALA A 58 15.613 20.150 13.099 1.00 11.42 N ATOM 826 CA ALA A 58 15.629 18.917 13.876 1.00 3.10 C ATOM 827 C ALA A 58 15.124 19.155 15.295 1.00 54.22 C ATOM 828 O ALA A 58 15.287 18.308 16.172 1.00 34.35 O ATOM 829 CB ALA A 58 17.033 18.331 13.905 1.00 31.54 C ATOM 0 H ALA A 58 15.840 20.988 13.634 1.00 11.42 H new ATOM 0 HA ALA A 58 14.959 18.205 13.395 1.00 3.10 H new ATOM 0 HB1 ALA A 58 17.031 17.410 14.489 1.00 31.54 H new ATOM 0 HB2 ALA A 58 17.358 18.115 12.887 1.00 31.54 H new ATOM 0 HB3 ALA A 58 17.717 19.047 14.360 1.00 31.54 H new ATOM 835 N SER A 59 14.510 20.314 15.513 1.00 71.13 N ATOM 836 CA SER A 59 13.984 20.665 16.827 1.00 43.33 C ATOM 837 C SER A 59 12.630 20.004 17.065 1.00 63.41 C ATOM 838 O SER A 59 12.361 19.489 18.150 1.00 12.04 O ATOM 839 CB SER A 59 13.853 22.184 16.957 1.00 35.14 C ATOM 840 OG SER A 59 13.870 22.582 18.317 1.00 11.22 O ATOM 0 H SER A 59 14.365 21.025 14.797 1.00 71.13 H new ATOM 0 HA SER A 59 14.683 20.301 17.580 1.00 43.33 H new ATOM 0 HB2 SER A 59 14.669 22.670 16.422 1.00 35.14 H new ATOM 0 HB3 SER A 59 12.925 22.514 16.490 1.00 35.14 H new ATOM 0 HG SER A 59 13.787 23.557 18.374 1.00 11.22 H new ATOM 846 N ASP A 60 11.782 20.021 16.042 1.00 4.54 N ATOM 847 CA ASP A 60 10.456 19.423 16.138 1.00 21.25 C ATOM 848 C ASP A 60 9.710 19.540 14.813 1.00 31.40 C ATOM 849 O ASP A 60 8.598 20.066 14.759 1.00 23.44 O ATOM 850 CB ASP A 60 9.650 20.093 17.252 1.00 22.35 C ATOM 851 CG ASP A 60 8.712 19.127 17.949 1.00 10.03 C ATOM 852 OD1 ASP A 60 9.196 18.311 18.761 1.00 45.12 O ATOM 853 OD2 ASP A 60 7.493 19.187 17.682 1.00 22.45 O ATOM 0 H ASP A 60 11.990 20.443 15.137 1.00 4.54 H new ATOM 0 HA ASP A 60 10.578 18.366 16.374 1.00 21.25 H new ATOM 0 HB2 ASP A 60 10.334 20.522 17.984 1.00 22.35 H new ATOM 0 HB3 ASP A 60 9.073 20.917 16.833 1.00 22.35 H new ATOM 858 N SER A 61 10.330 19.047 13.745 1.00 35.54 N ATOM 859 CA SER A 61 9.726 19.100 12.419 1.00 63.01 C ATOM 860 C SER A 61 9.580 20.543 11.946 1.00 2.34 C ATOM 861 O SER A 61 8.871 20.823 10.979 1.00 2.32 O ATOM 862 CB SER A 61 8.359 18.414 12.429 1.00 31.13 C ATOM 863 OG SER A 61 7.311 19.367 12.467 1.00 74.41 O ATOM 0 H SER A 61 11.250 18.607 13.772 1.00 35.54 H new ATOM 0 HA SER A 61 10.383 18.573 11.727 1.00 63.01 H new ATOM 0 HB2 SER A 61 8.255 17.790 11.541 1.00 31.13 H new ATOM 0 HB3 SER A 61 8.286 17.754 13.293 1.00 31.13 H new ATOM 0 HG SER A 61 7.395 19.913 13.276 1.00 74.41 H new ATOM 869 N HIS A 62 10.256 21.456 12.636 1.00 4.51 N ATOM 870 CA HIS A 62 10.203 22.872 12.288 1.00 62.13 C ATOM 871 C HIS A 62 11.196 23.195 11.175 1.00 54.02 C ATOM 872 O HIS A 62 12.236 22.550 11.051 1.00 51.14 O ATOM 873 CB HIS A 62 10.499 23.733 13.516 1.00 33.33 C ATOM 874 CG HIS A 62 11.961 23.922 13.777 1.00 3.30 C ATOM 875 ND1 HIS A 62 12.873 22.888 13.740 1.00 53.20 N ATOM 876 CD2 HIS A 62 12.670 25.036 14.078 1.00 32.43 C ATOM 877 CE1 HIS A 62 14.078 23.357 14.009 1.00 22.20 C ATOM 878 NE2 HIS A 62 13.983 24.658 14.218 1.00 74.53 N ATOM 0 H HIS A 62 10.847 21.241 13.439 1.00 4.51 H new ATOM 0 HA HIS A 62 9.198 23.095 11.931 1.00 62.13 H new ATOM 0 HB2 HIS A 62 10.032 24.709 13.386 1.00 33.33 H new ATOM 0 HB3 HIS A 62 10.039 23.274 14.391 1.00 33.33 H new ATOM 0 HD2 HIS A 62 12.276 26.036 14.188 1.00 32.43 H new ATOM 0 HE1 HIS A 62 14.987 22.775 14.051 1.00 22.20 H new ATOM 0 HE2 HIS A 62 14.758 25.280 14.446 1.00 74.53 H new ATOM 886 N GLY A 63 10.866 24.198 10.367 1.00 54.22 N ATOM 887 CA GLY A 63 11.738 24.588 9.274 1.00 13.54 C ATOM 888 C GLY A 63 12.093 26.062 9.314 1.00 74.41 C ATOM 889 O GLY A 63 11.478 26.875 8.622 1.00 20.23 O ATOM 0 H GLY A 63 10.011 24.747 10.450 1.00 54.22 H new ATOM 0 HA2 GLY A 63 12.652 23.996 9.313 1.00 13.54 H new ATOM 0 HA3 GLY A 63 11.251 24.360 8.326 1.00 13.54 H new ATOM 893 N LEU A 64 13.085 26.408 10.126 1.00 64.32 N ATOM 894 CA LEU A 64 13.521 27.794 10.254 1.00 13.15 C ATOM 895 C LEU A 64 14.924 27.979 9.686 1.00 0.22 C ATOM 896 O LEU A 64 15.651 27.010 9.474 1.00 23.51 O ATOM 897 CB LEU A 64 13.492 28.224 11.722 1.00 15.31 C ATOM 898 CG LEU A 64 12.123 28.621 12.278 1.00 24.23 C ATOM 899 CD1 LEU A 64 11.167 27.439 12.235 1.00 53.54 C ATOM 900 CD2 LEU A 64 12.258 29.148 13.699 1.00 11.24 C ATOM 0 H LEU A 64 13.603 25.748 10.706 1.00 64.32 H new ATOM 0 HA LEU A 64 12.834 28.419 9.684 1.00 13.15 H new ATOM 0 HB2 LEU A 64 13.885 27.407 12.327 1.00 15.31 H new ATOM 0 HB3 LEU A 64 14.171 29.068 11.846 1.00 15.31 H new ATOM 0 HG LEU A 64 11.714 29.416 11.654 1.00 24.23 H new ATOM 0 HD11 LEU A 64 10.198 27.740 12.634 1.00 53.54 H new ATOM 0 HD12 LEU A 64 11.047 27.105 11.204 1.00 53.54 H new ATOM 0 HD13 LEU A 64 11.570 26.623 12.836 1.00 53.54 H new ATOM 0 HD21 LEU A 64 11.275 29.426 14.079 1.00 11.24 H new ATOM 0 HD22 LEU A 64 12.687 28.374 14.335 1.00 11.24 H new ATOM 0 HD23 LEU A 64 12.909 30.023 13.702 1.00 11.24 H new ATOM 912 N ALA A 65 15.298 29.231 9.444 1.00 3.20 N ATOM 913 CA ALA A 65 16.616 29.544 8.905 1.00 71.13 C ATOM 914 C ALA A 65 17.203 30.782 9.573 1.00 1.24 C ATOM 915 O ALA A 65 16.619 31.864 9.519 1.00 0.45 O ATOM 916 CB ALA A 65 16.536 29.743 7.398 1.00 30.14 C ATOM 0 H ALA A 65 14.707 30.045 9.613 1.00 3.20 H new ATOM 0 HA ALA A 65 17.276 28.703 9.115 1.00 71.13 H new ATOM 0 HB1 ALA A 65 17.527 29.976 7.009 1.00 30.14 H new ATOM 0 HB2 ALA A 65 16.168 28.830 6.930 1.00 30.14 H new ATOM 0 HB3 ALA A 65 15.856 30.565 7.175 1.00 30.14 H new ATOM 922 N SER A 66 18.361 30.616 10.204 1.00 22.51 N ATOM 923 CA SER A 66 19.025 31.719 10.888 1.00 42.35 C ATOM 924 C SER A 66 20.191 32.249 10.058 1.00 12.50 C ATOM 925 O SER A 66 21.171 31.543 9.819 1.00 2.34 O ATOM 926 CB SER A 66 19.525 31.269 12.262 1.00 44.35 C ATOM 927 OG SER A 66 20.090 32.353 12.979 1.00 15.31 O ATOM 0 H SER A 66 18.859 29.727 10.256 1.00 22.51 H new ATOM 0 HA SER A 66 18.300 32.522 11.019 1.00 42.35 H new ATOM 0 HB2 SER A 66 18.699 30.843 12.832 1.00 44.35 H new ATOM 0 HB3 SER A 66 20.269 30.481 12.142 1.00 44.35 H new ATOM 0 HG SER A 66 20.400 32.040 13.854 1.00 15.31 H new ATOM 933 N THR A 67 20.077 33.500 9.620 1.00 20.40 N ATOM 934 CA THR A 67 21.119 34.126 8.816 1.00 21.43 C ATOM 935 C THR A 67 21.916 35.133 9.637 1.00 22.22 C ATOM 936 O THR A 67 21.353 36.063 10.215 1.00 55.42 O ATOM 937 CB THR A 67 20.527 34.838 7.585 1.00 25.41 C ATOM 938 OG1 THR A 67 21.574 35.452 6.825 1.00 52.13 O ATOM 939 CG2 THR A 67 19.513 35.891 8.005 1.00 71.44 C ATOM 0 H THR A 67 19.273 34.099 9.809 1.00 20.40 H new ATOM 0 HA THR A 67 21.782 33.328 8.481 1.00 21.43 H new ATOM 0 HB THR A 67 20.020 34.094 6.970 1.00 25.41 H new ATOM 0 HG1 THR A 67 21.487 35.197 5.883 1.00 52.13 H new ATOM 0 HG21 THR A 67 19.109 36.380 7.119 1.00 71.44 H new ATOM 0 HG22 THR A 67 18.703 35.416 8.559 1.00 71.44 H new ATOM 0 HG23 THR A 67 20.000 36.632 8.639 1.00 71.44 H new ATOM 947 N LEU A 68 23.230 34.942 9.685 1.00 0.30 N ATOM 948 CA LEU A 68 24.106 35.836 10.435 1.00 31.45 C ATOM 949 C LEU A 68 25.219 36.381 9.546 1.00 31.43 C ATOM 950 O LEU A 68 26.301 36.717 10.025 1.00 12.04 O ATOM 951 CB LEU A 68 24.709 35.102 11.635 1.00 73.13 C ATOM 952 CG LEU A 68 23.713 34.431 12.581 1.00 14.13 C ATOM 953 CD1 LEU A 68 22.527 35.346 12.844 1.00 55.12 C ATOM 954 CD2 LEU A 68 23.246 33.101 12.009 1.00 72.33 C ATOM 0 H LEU A 68 23.712 34.177 9.214 1.00 0.30 H new ATOM 0 HA LEU A 68 23.509 36.675 10.792 1.00 31.45 H new ATOM 0 HB2 LEU A 68 25.395 34.341 11.263 1.00 73.13 H new ATOM 0 HB3 LEU A 68 25.303 35.813 12.210 1.00 73.13 H new ATOM 0 HG LEU A 68 24.215 34.239 13.529 1.00 14.13 H new ATOM 0 HD11 LEU A 68 21.829 34.852 13.519 1.00 55.12 H new ATOM 0 HD12 LEU A 68 22.876 36.273 13.298 1.00 55.12 H new ATOM 0 HD13 LEU A 68 22.025 35.570 11.903 1.00 55.12 H new ATOM 0 HD21 LEU A 68 22.538 32.638 12.696 1.00 72.33 H new ATOM 0 HD22 LEU A 68 22.762 33.269 11.047 1.00 72.33 H new ATOM 0 HD23 LEU A 68 24.104 32.442 11.874 1.00 72.33 H new ATOM 966 N ASN A 69 24.944 36.467 8.249 1.00 61.32 N ATOM 967 CA ASN A 69 25.922 36.973 7.292 1.00 32.23 C ATOM 968 C ASN A 69 25.761 38.477 7.094 1.00 10.04 C ATOM 969 O ASN A 69 24.838 39.088 7.633 1.00 63.03 O ATOM 970 CB ASN A 69 25.774 36.252 5.951 1.00 65.11 C ATOM 971 CG ASN A 69 25.705 34.745 6.109 1.00 50.22 C ATOM 972 OD1 ASN A 69 26.690 34.041 5.889 1.00 25.13 O ATOM 973 ND2 ASN A 69 24.536 34.244 6.491 1.00 22.10 N ATOM 0 H ASN A 69 24.052 36.193 7.836 1.00 61.32 H new ATOM 0 HA ASN A 69 26.918 36.782 7.692 1.00 32.23 H new ATOM 0 HB2 ASN A 69 24.872 36.604 5.450 1.00 65.11 H new ATOM 0 HB3 ASN A 69 26.616 36.509 5.309 1.00 65.11 H new ATOM 0 HD21 ASN A 69 24.428 33.237 6.613 1.00 22.10 H new ATOM 0 HD22 ASN A 69 23.746 34.866 6.662 1.00 22.10 H new ATOM 980 N GLN A 70 26.665 39.066 6.318 1.00 11.23 N ATOM 981 CA GLN A 70 26.623 40.499 6.050 1.00 71.34 C ATOM 982 C GLN A 70 26.790 40.778 4.560 1.00 44.23 C ATOM 983 O GLN A 70 27.710 41.485 4.150 1.00 0.30 O ATOM 984 CB GLN A 70 27.715 41.220 6.842 1.00 72.13 C ATOM 985 CG GLN A 70 27.786 40.800 8.301 1.00 70.31 C ATOM 986 CD GLN A 70 28.974 41.403 9.025 1.00 73.23 C ATOM 987 OE1 GLN A 70 29.940 41.840 8.399 1.00 30.10 O ATOM 988 NE2 GLN A 70 28.908 41.430 10.351 1.00 71.13 N ATOM 0 H GLN A 70 27.435 38.574 5.864 1.00 11.23 H new ATOM 0 HA GLN A 70 25.649 40.874 6.365 1.00 71.34 H new ATOM 0 HB2 GLN A 70 28.679 41.030 6.371 1.00 72.13 H new ATOM 0 HB3 GLN A 70 27.541 42.295 6.790 1.00 72.13 H new ATOM 0 HG2 GLN A 70 26.868 41.099 8.806 1.00 70.31 H new ATOM 0 HG3 GLN A 70 27.843 39.713 8.360 1.00 70.31 H new ATOM 0 HE21 GLN A 70 28.088 41.057 10.829 1.00 71.13 H new ATOM 0 HE22 GLN A 70 29.678 41.824 10.892 1.00 71.13 H new ATOM 997 N GLY A 71 25.895 40.217 3.753 1.00 54.42 N ATOM 998 CA GLY A 71 25.961 40.418 2.317 1.00 23.30 C ATOM 999 C GLY A 71 24.790 39.789 1.589 1.00 54.41 C ATOM 1000 O GLY A 71 23.637 40.139 1.837 1.00 35.23 O ATOM 0 H GLY A 71 25.125 39.627 4.068 1.00 54.42 H new ATOM 0 HA2 GLY A 71 25.986 41.487 2.104 1.00 23.30 H new ATOM 0 HA3 GLY A 71 26.891 39.995 1.936 1.00 23.30 H new ATOM 1004 N ASN A 72 25.085 38.860 0.686 1.00 45.44 N ATOM 1005 CA ASN A 72 24.047 38.184 -0.083 1.00 21.40 C ATOM 1006 C ASN A 72 24.181 36.669 0.039 1.00 74.34 C ATOM 1007 O ASN A 72 25.262 36.112 -0.153 1.00 51.43 O ATOM 1008 CB ASN A 72 24.121 38.597 -1.554 1.00 63.12 C ATOM 1009 CG ASN A 72 25.391 39.361 -1.877 1.00 22.51 C ATOM 1010 OD1 ASN A 72 26.353 38.796 -2.398 1.00 22.55 O ATOM 1011 ND2 ASN A 72 25.399 40.652 -1.568 1.00 25.00 N ATOM 0 H ASN A 72 26.035 38.558 0.469 1.00 45.44 H new ATOM 0 HA ASN A 72 23.079 38.480 0.321 1.00 21.40 H new ATOM 0 HB2 ASN A 72 24.066 37.707 -2.181 1.00 63.12 H new ATOM 0 HB3 ASN A 72 23.257 39.214 -1.799 1.00 63.12 H new ATOM 0 HD21 ASN A 72 26.225 41.218 -1.761 1.00 25.00 H new ATOM 0 HD22 ASN A 72 24.579 41.078 -1.137 1.00 25.00 H new ATOM 1018 N VAL A 73 23.073 36.006 0.358 1.00 3.22 N ATOM 1019 CA VAL A 73 23.065 34.556 0.504 1.00 64.52 C ATOM 1020 C VAL A 73 21.981 33.922 -0.361 1.00 1.40 C ATOM 1021 O VAL A 73 20.876 34.452 -0.478 1.00 11.13 O ATOM 1022 CB VAL A 73 22.845 34.140 1.970 1.00 31.24 C ATOM 1023 CG1 VAL A 73 23.853 34.828 2.878 1.00 50.10 C ATOM 1024 CG2 VAL A 73 21.422 34.455 2.405 1.00 54.21 C ATOM 0 H VAL A 73 22.170 36.451 0.520 1.00 3.22 H new ATOM 0 HA VAL A 73 24.042 34.200 0.176 1.00 64.52 H new ATOM 0 HB VAL A 73 22.996 33.063 2.050 1.00 31.24 H new ATOM 0 HG11 VAL A 73 23.682 34.522 3.910 1.00 50.10 H new ATOM 0 HG12 VAL A 73 24.863 34.547 2.579 1.00 50.10 H new ATOM 0 HG13 VAL A 73 23.738 35.909 2.797 1.00 50.10 H new ATOM 0 HG21 VAL A 73 21.284 34.154 3.444 1.00 54.21 H new ATOM 0 HG22 VAL A 73 21.241 35.526 2.310 1.00 54.21 H new ATOM 0 HG23 VAL A 73 20.720 33.911 1.774 1.00 54.21 H new ATOM 1034 N LYS A 74 22.304 32.784 -0.966 1.00 42.40 N ATOM 1035 CA LYS A 74 21.358 32.076 -1.820 1.00 21.23 C ATOM 1036 C LYS A 74 20.699 30.926 -1.064 1.00 42.04 C ATOM 1037 O LYS A 74 21.379 30.037 -0.551 1.00 73.13 O ATOM 1038 CB LYS A 74 22.066 31.542 -3.067 1.00 20.51 C ATOM 1039 CG LYS A 74 21.114 31.063 -4.149 1.00 35.43 C ATOM 1040 CD LYS A 74 20.328 32.216 -4.751 1.00 24.11 C ATOM 1041 CE LYS A 74 20.324 32.154 -6.271 1.00 22.14 C ATOM 1042 NZ LYS A 74 21.284 33.123 -6.868 1.00 10.31 N ATOM 0 H LYS A 74 23.214 32.332 -0.881 1.00 42.40 H new ATOM 0 HA LYS A 74 20.583 32.780 -2.124 1.00 21.23 H new ATOM 0 HB2 LYS A 74 22.703 32.326 -3.476 1.00 20.51 H new ATOM 0 HB3 LYS A 74 22.719 30.718 -2.779 1.00 20.51 H new ATOM 0 HG2 LYS A 74 21.678 30.557 -4.933 1.00 35.43 H new ATOM 0 HG3 LYS A 74 20.424 30.331 -3.730 1.00 35.43 H new ATOM 0 HD2 LYS A 74 19.303 32.191 -4.382 1.00 24.11 H new ATOM 0 HD3 LYS A 74 20.761 33.162 -4.425 1.00 24.11 H new ATOM 0 HE2 LYS A 74 20.579 31.145 -6.594 1.00 22.14 H new ATOM 0 HE3 LYS A 74 19.320 32.363 -6.640 1.00 22.14 H new ATOM 0 HZ1 LYS A 74 21.251 33.050 -7.905 1.00 10.31 H new ATOM 0 HZ2 LYS A 74 21.026 34.089 -6.581 1.00 10.31 H new ATOM 0 HZ3 LYS A 74 22.246 32.908 -6.536 1.00 10.31 H new ATOM 1056 N VAL A 75 19.372 30.949 -1.001 1.00 54.13 N ATOM 1057 CA VAL A 75 18.621 29.907 -0.311 1.00 52.11 C ATOM 1058 C VAL A 75 18.250 28.775 -1.262 1.00 65.23 C ATOM 1059 O VAL A 75 17.645 29.002 -2.310 1.00 71.34 O ATOM 1060 CB VAL A 75 17.336 30.469 0.325 1.00 12.23 C ATOM 1061 CG1 VAL A 75 16.653 29.409 1.175 1.00 34.23 C ATOM 1062 CG2 VAL A 75 17.649 31.707 1.152 1.00 32.05 C ATOM 0 H VAL A 75 18.794 31.678 -1.420 1.00 54.13 H new ATOM 0 HA VAL A 75 19.268 29.519 0.476 1.00 52.11 H new ATOM 0 HB VAL A 75 16.652 30.756 -0.473 1.00 12.23 H new ATOM 0 HG11 VAL A 75 15.747 29.825 1.616 1.00 34.23 H new ATOM 0 HG12 VAL A 75 16.393 28.554 0.551 1.00 34.23 H new ATOM 0 HG13 VAL A 75 17.328 29.088 1.968 1.00 34.23 H new ATOM 0 HG21 VAL A 75 16.730 32.091 1.594 1.00 32.05 H new ATOM 0 HG22 VAL A 75 18.352 31.448 1.944 1.00 32.05 H new ATOM 0 HG23 VAL A 75 18.090 32.471 0.511 1.00 32.05 H new ATOM 1072 N THR A 76 18.618 27.552 -0.890 1.00 50.53 N ATOM 1073 CA THR A 76 18.325 26.384 -1.710 1.00 63.41 C ATOM 1074 C THR A 76 17.952 25.185 -0.845 1.00 64.14 C ATOM 1075 O THR A 76 18.694 24.807 0.061 1.00 13.01 O ATOM 1076 CB THR A 76 19.525 26.007 -2.600 1.00 31.00 C ATOM 1077 OG1 THR A 76 20.185 27.192 -3.059 1.00 63.42 O ATOM 1078 CG2 THR A 76 19.075 25.177 -3.792 1.00 75.44 C ATOM 0 H THR A 76 19.119 27.346 -0.026 1.00 50.53 H new ATOM 0 HA THR A 76 17.479 26.648 -2.345 1.00 63.41 H new ATOM 0 HB THR A 76 20.218 25.412 -2.005 1.00 31.00 H new ATOM 0 HG1 THR A 76 20.947 26.944 -3.623 1.00 63.42 H new ATOM 0 HG21 THR A 76 19.939 24.923 -4.406 1.00 75.44 H new ATOM 0 HG22 THR A 76 18.599 24.262 -3.439 1.00 75.44 H new ATOM 0 HG23 THR A 76 18.364 25.750 -4.387 1.00 75.44 H new ATOM 1086 N ALA A 77 16.799 24.590 -1.132 1.00 50.23 N ATOM 1087 CA ALA A 77 16.329 23.432 -0.382 1.00 43.11 C ATOM 1088 C ALA A 77 15.720 22.387 -1.310 1.00 71.04 C ATOM 1089 O ALA A 77 15.293 22.703 -2.421 1.00 62.30 O ATOM 1090 CB ALA A 77 15.317 23.860 0.671 1.00 44.05 C ATOM 0 H ALA A 77 16.173 24.891 -1.879 1.00 50.23 H new ATOM 0 HA ALA A 77 17.187 22.981 0.117 1.00 43.11 H new ATOM 0 HB1 ALA A 77 14.975 22.985 1.223 1.00 44.05 H new ATOM 0 HB2 ALA A 77 15.784 24.564 1.360 1.00 44.05 H new ATOM 0 HB3 ALA A 77 14.466 24.338 0.185 1.00 44.05 H new ATOM 1096 N SER A 78 15.683 21.141 -0.848 1.00 41.23 N ATOM 1097 CA SER A 78 15.130 20.048 -1.640 1.00 11.44 C ATOM 1098 C SER A 78 14.328 19.093 -0.761 1.00 1.21 C ATOM 1099 O SER A 78 14.748 18.748 0.344 1.00 3.51 O ATOM 1100 CB SER A 78 16.251 19.287 -2.350 1.00 34.10 C ATOM 1101 OG SER A 78 16.163 19.444 -3.756 1.00 10.55 O ATOM 0 H SER A 78 16.029 20.863 0.070 1.00 41.23 H new ATOM 0 HA SER A 78 14.461 20.475 -2.387 1.00 11.44 H new ATOM 0 HB2 SER A 78 17.218 19.648 -2.000 1.00 34.10 H new ATOM 0 HB3 SER A 78 16.195 18.229 -2.095 1.00 34.10 H new ATOM 0 HG SER A 78 16.891 18.950 -4.187 1.00 10.55 H new ATOM 1107 N ILE A 79 13.172 18.670 -1.260 1.00 71.42 N ATOM 1108 CA ILE A 79 12.311 17.754 -0.522 1.00 23.30 C ATOM 1109 C ILE A 79 11.719 16.693 -1.443 1.00 62.43 C ATOM 1110 O ILE A 79 11.100 17.011 -2.458 1.00 4.53 O ATOM 1111 CB ILE A 79 11.165 18.503 0.183 1.00 61.20 C ATOM 1112 CG1 ILE A 79 10.261 17.515 0.923 1.00 13.43 C ATOM 1113 CG2 ILE A 79 10.362 19.312 -0.825 1.00 23.31 C ATOM 1114 CD1 ILE A 79 9.446 18.153 2.027 1.00 23.22 C ATOM 0 H ILE A 79 12.810 18.947 -2.172 1.00 71.42 H new ATOM 0 HA ILE A 79 12.935 17.271 0.230 1.00 23.30 H new ATOM 0 HB ILE A 79 11.594 19.191 0.912 1.00 61.20 H new ATOM 0 HG12 ILE A 79 9.585 17.047 0.207 1.00 13.43 H new ATOM 0 HG13 ILE A 79 10.875 16.721 1.348 1.00 13.43 H new ATOM 0 HG21 ILE A 79 9.556 19.836 -0.312 1.00 23.31 H new ATOM 0 HG22 ILE A 79 11.014 20.038 -1.311 1.00 23.31 H new ATOM 0 HG23 ILE A 79 9.940 18.643 -1.575 1.00 23.31 H new ATOM 0 HD11 ILE A 79 8.829 17.395 2.508 1.00 23.22 H new ATOM 0 HD12 ILE A 79 10.116 18.597 2.764 1.00 23.22 H new ATOM 0 HD13 ILE A 79 8.806 18.928 1.605 1.00 23.22 H new ATOM 1126 N GLY A 80 11.912 15.428 -1.082 1.00 24.34 N ATOM 1127 CA GLY A 80 11.390 14.338 -1.885 1.00 51.24 C ATOM 1128 C GLY A 80 11.888 14.383 -3.316 1.00 61.23 C ATOM 1129 O GLY A 80 13.003 13.951 -3.607 1.00 33.43 O ATOM 0 H GLY A 80 12.421 15.139 -0.247 1.00 24.34 H new ATOM 0 HA2 GLY A 80 11.677 13.388 -1.433 1.00 51.24 H new ATOM 0 HA3 GLY A 80 10.301 14.377 -1.881 1.00 51.24 H new ATOM 1133 N GLY A 81 11.059 14.906 -4.214 1.00 53.13 N ATOM 1134 CA GLY A 81 11.438 14.994 -5.612 1.00 63.12 C ATOM 1135 C GLY A 81 11.591 16.427 -6.083 1.00 35.23 C ATOM 1136 O GLY A 81 12.598 16.782 -6.694 1.00 45.42 O ATOM 0 H GLY A 81 10.131 15.271 -3.998 1.00 53.13 H new ATOM 0 HA2 GLY A 81 12.377 14.463 -5.765 1.00 63.12 H new ATOM 0 HA3 GLY A 81 10.686 14.493 -6.221 1.00 63.12 H new ATOM 1140 N ILE A 82 10.587 17.251 -5.799 1.00 64.41 N ATOM 1141 CA ILE A 82 10.614 18.652 -6.198 1.00 45.32 C ATOM 1142 C ILE A 82 11.473 19.478 -5.246 1.00 54.52 C ATOM 1143 O ILE A 82 11.641 19.123 -4.080 1.00 75.31 O ATOM 1144 CB ILE A 82 9.197 19.252 -6.245 1.00 33.20 C ATOM 1145 CG1 ILE A 82 8.248 18.316 -6.997 1.00 41.01 C ATOM 1146 CG2 ILE A 82 9.224 20.625 -6.899 1.00 54.12 C ATOM 1147 CD1 ILE A 82 8.613 18.128 -8.453 1.00 2.10 C ATOM 0 H ILE A 82 9.746 16.972 -5.294 1.00 64.41 H new ATOM 0 HA ILE A 82 11.047 18.687 -7.198 1.00 45.32 H new ATOM 0 HB ILE A 82 8.832 19.365 -5.224 1.00 33.20 H new ATOM 0 HG12 ILE A 82 8.243 17.344 -6.504 1.00 41.01 H new ATOM 0 HG13 ILE A 82 7.234 18.711 -6.933 1.00 41.01 H new ATOM 0 HG21 ILE A 82 8.215 21.036 -6.925 1.00 54.12 H new ATOM 0 HG22 ILE A 82 9.871 21.288 -6.326 1.00 54.12 H new ATOM 0 HG23 ILE A 82 9.605 20.536 -7.916 1.00 54.12 H new ATOM 0 HD11 ILE A 82 7.898 17.453 -8.923 1.00 2.10 H new ATOM 0 HD12 ILE A 82 8.590 19.092 -8.961 1.00 2.10 H new ATOM 0 HD13 ILE A 82 9.614 17.703 -8.525 1.00 2.10 H new ATOM 1159 N GLN A 83 12.011 20.583 -5.752 1.00 4.45 N ATOM 1160 CA GLN A 83 12.851 21.461 -4.945 1.00 63.00 C ATOM 1161 C GLN A 83 12.566 22.926 -5.259 1.00 4.15 C ATOM 1162 O GLN A 83 11.978 23.248 -6.290 1.00 30.40 O ATOM 1163 CB GLN A 83 14.330 21.153 -5.189 1.00 74.13 C ATOM 1164 CG GLN A 83 14.854 21.696 -6.509 1.00 21.52 C ATOM 1165 CD GLN A 83 16.315 21.362 -6.738 1.00 21.43 C ATOM 1166 OE1 GLN A 83 16.667 20.211 -6.998 1.00 63.23 O ATOM 1167 NE2 GLN A 83 17.175 22.369 -6.642 1.00 30.15 N ATOM 0 H GLN A 83 11.881 20.891 -6.715 1.00 4.45 H new ATOM 0 HA GLN A 83 12.618 21.281 -3.895 1.00 63.00 H new ATOM 0 HB2 GLN A 83 14.919 21.572 -4.373 1.00 74.13 H new ATOM 0 HB3 GLN A 83 14.476 20.073 -5.166 1.00 74.13 H new ATOM 0 HG2 GLN A 83 14.260 21.289 -7.327 1.00 21.52 H new ATOM 0 HG3 GLN A 83 14.725 22.778 -6.529 1.00 21.52 H new ATOM 0 HE21 GLN A 83 16.839 23.307 -6.425 1.00 30.15 H new ATOM 0 HE22 GLN A 83 18.171 22.204 -6.786 1.00 30.15 H new ATOM 1176 N GLY A 84 12.988 23.811 -4.360 1.00 40.44 N ATOM 1177 CA GLY A 84 12.768 25.232 -4.559 1.00 45.04 C ATOM 1178 C GLY A 84 13.962 26.067 -4.140 1.00 13.41 C ATOM 1179 O GLY A 84 14.821 25.602 -3.391 1.00 43.45 O ATOM 0 H GLY A 84 13.478 23.569 -3.498 1.00 40.44 H new ATOM 0 HA2 GLY A 84 12.548 25.419 -5.610 1.00 45.04 H new ATOM 0 HA3 GLY A 84 11.892 25.544 -3.990 1.00 45.04 H new ATOM 1183 N SER A 85 14.016 27.304 -4.624 1.00 50.11 N ATOM 1184 CA SER A 85 15.116 28.205 -4.299 1.00 71.43 C ATOM 1185 C SER A 85 14.594 29.595 -3.950 1.00 44.45 C ATOM 1186 O SER A 85 13.509 29.990 -4.377 1.00 35.11 O ATOM 1187 CB SER A 85 16.094 28.294 -5.473 1.00 34.44 C ATOM 1188 OG SER A 85 15.404 28.309 -6.711 1.00 25.23 O ATOM 0 H SER A 85 13.311 27.705 -5.242 1.00 50.11 H new ATOM 0 HA SER A 85 15.638 27.804 -3.430 1.00 71.43 H new ATOM 0 HB2 SER A 85 16.699 29.196 -5.379 1.00 34.44 H new ATOM 0 HB3 SER A 85 16.779 27.447 -5.445 1.00 34.44 H new ATOM 0 HG SER A 85 16.050 28.368 -7.445 1.00 25.23 H new ATOM 1194 N THR A 86 15.377 30.336 -3.171 1.00 73.30 N ATOM 1195 CA THR A 86 14.995 31.682 -2.763 1.00 22.31 C ATOM 1196 C THR A 86 16.215 32.589 -2.653 1.00 51.53 C ATOM 1197 O THR A 86 17.329 32.122 -2.417 1.00 1.24 O ATOM 1198 CB THR A 86 14.255 31.671 -1.412 1.00 72.52 C ATOM 1199 OG1 THR A 86 13.592 30.415 -1.227 1.00 25.50 O ATOM 1200 CG2 THR A 86 13.239 32.801 -1.343 1.00 34.52 C ATOM 0 H THR A 86 16.279 30.026 -2.810 1.00 73.30 H new ATOM 0 HA THR A 86 14.326 32.068 -3.532 1.00 22.31 H new ATOM 0 HB THR A 86 14.989 31.814 -0.619 1.00 72.52 H new ATOM 0 HG1 THR A 86 13.403 30.282 -0.275 1.00 25.50 H new ATOM 0 HG21 THR A 86 12.729 32.773 -0.380 1.00 34.52 H new ATOM 0 HG22 THR A 86 13.750 33.757 -1.455 1.00 34.52 H new ATOM 0 HG23 THR A 86 12.509 32.683 -2.144 1.00 34.52 H new ATOM 1208 N ASP A 87 15.997 33.888 -2.826 1.00 41.52 N ATOM 1209 CA ASP A 87 17.079 34.863 -2.745 1.00 22.31 C ATOM 1210 C ASP A 87 17.011 35.643 -1.436 1.00 15.01 C ATOM 1211 O ASP A 87 15.980 36.228 -1.103 1.00 53.33 O ATOM 1212 CB ASP A 87 17.017 35.826 -3.931 1.00 41.02 C ATOM 1213 CG ASP A 87 17.989 36.981 -3.791 1.00 11.14 C ATOM 1214 OD1 ASP A 87 19.206 36.723 -3.682 1.00 62.12 O ATOM 1215 OD2 ASP A 87 17.532 38.143 -3.790 1.00 4.22 O ATOM 0 H ASP A 87 15.081 34.291 -3.023 1.00 41.52 H new ATOM 0 HA ASP A 87 18.025 34.322 -2.776 1.00 22.31 H new ATOM 0 HB2 ASP A 87 17.235 35.281 -4.849 1.00 41.02 H new ATOM 0 HB3 ASP A 87 16.004 36.217 -4.025 1.00 41.02 H new ATOM 1220 N PHE A 88 18.115 35.646 -0.696 1.00 54.22 N ATOM 1221 CA PHE A 88 18.179 36.353 0.578 1.00 62.22 C ATOM 1222 C PHE A 88 19.381 37.292 0.618 1.00 0.14 C ATOM 1223 O PHE A 88 20.486 36.923 0.219 1.00 11.44 O ATOM 1224 CB PHE A 88 18.258 35.355 1.735 1.00 22.01 C ATOM 1225 CG PHE A 88 17.018 35.319 2.581 1.00 74.51 C ATOM 1226 CD1 PHE A 88 16.877 36.169 3.665 1.00 4.35 C ATOM 1227 CD2 PHE A 88 15.992 34.433 2.292 1.00 52.12 C ATOM 1228 CE1 PHE A 88 15.737 36.139 4.446 1.00 72.43 C ATOM 1229 CE2 PHE A 88 14.849 34.398 3.068 1.00 11.21 C ATOM 1230 CZ PHE A 88 14.722 35.251 4.147 1.00 13.11 C ATOM 0 H PHE A 88 18.977 35.167 -0.956 1.00 54.22 H new ATOM 0 HA PHE A 88 17.272 36.948 0.682 1.00 62.22 H new ATOM 0 HB2 PHE A 88 18.443 34.359 1.333 1.00 22.01 H new ATOM 0 HB3 PHE A 88 19.111 35.608 2.365 1.00 22.01 H new ATOM 0 HD1 PHE A 88 17.668 36.864 3.903 1.00 4.35 H new ATOM 0 HD2 PHE A 88 16.087 33.762 1.451 1.00 52.12 H new ATOM 0 HE1 PHE A 88 15.640 36.808 5.288 1.00 72.43 H new ATOM 0 HE2 PHE A 88 14.056 33.704 2.831 1.00 11.21 H new ATOM 0 HZ PHE A 88 13.830 35.224 4.756 1.00 13.11 H new ATOM 1240 N LYS A 89 19.157 38.509 1.103 1.00 61.11 N ATOM 1241 CA LYS A 89 20.220 39.503 1.197 1.00 33.13 C ATOM 1242 C LYS A 89 20.337 40.040 2.620 1.00 4.01 C ATOM 1243 O LYS A 89 19.450 40.742 3.105 1.00 51.34 O ATOM 1244 CB LYS A 89 19.956 40.656 0.226 1.00 73.52 C ATOM 1245 CG LYS A 89 20.796 40.590 -1.038 1.00 53.20 C ATOM 1246 CD LYS A 89 22.101 41.353 -0.880 1.00 75.34 C ATOM 1247 CE LYS A 89 21.859 42.847 -0.734 1.00 14.21 C ATOM 1248 NZ LYS A 89 22.900 43.649 -1.435 1.00 32.15 N ATOM 0 H LYS A 89 18.249 38.831 1.437 1.00 61.11 H new ATOM 0 HA LYS A 89 21.160 39.020 0.930 1.00 33.13 H new ATOM 0 HB2 LYS A 89 18.901 40.655 -0.048 1.00 73.52 H new ATOM 0 HB3 LYS A 89 20.152 41.600 0.734 1.00 73.52 H new ATOM 0 HG2 LYS A 89 21.009 39.549 -1.281 1.00 53.20 H new ATOM 0 HG3 LYS A 89 20.231 41.003 -1.874 1.00 53.20 H new ATOM 0 HD2 LYS A 89 22.636 40.983 -0.006 1.00 75.34 H new ATOM 0 HD3 LYS A 89 22.738 41.169 -1.745 1.00 75.34 H new ATOM 0 HE2 LYS A 89 20.877 43.097 -1.135 1.00 14.21 H new ATOM 0 HE3 LYS A 89 21.848 43.111 0.323 1.00 14.21 H new ATOM 0 HZ1 LYS A 89 22.699 44.662 -1.312 1.00 32.15 H new ATOM 0 HZ2 LYS A 89 23.835 43.430 -1.035 1.00 32.15 H new ATOM 0 HZ3 LYS A 89 22.894 43.416 -2.448 1.00 32.15 H new ATOM 1262 N VAL A 90 21.439 39.706 3.285 1.00 43.54 N ATOM 1263 CA VAL A 90 21.674 40.158 4.651 1.00 61.40 C ATOM 1264 C VAL A 90 22.470 41.457 4.671 1.00 5.53 C ATOM 1265 O VAL A 90 23.543 41.552 4.073 1.00 72.20 O ATOM 1266 CB VAL A 90 22.427 39.094 5.472 1.00 64.14 C ATOM 1267 CG1 VAL A 90 22.053 39.190 6.943 1.00 42.42 C ATOM 1268 CG2 VAL A 90 22.140 37.702 4.930 1.00 20.31 C ATOM 0 H VAL A 90 22.183 39.124 2.900 1.00 43.54 H new ATOM 0 HA VAL A 90 20.696 40.328 5.101 1.00 61.40 H new ATOM 0 HB VAL A 90 23.497 39.281 5.382 1.00 64.14 H new ATOM 0 HG11 VAL A 90 22.595 38.430 7.507 1.00 42.42 H new ATOM 0 HG12 VAL A 90 22.315 40.178 7.321 1.00 42.42 H new ATOM 0 HG13 VAL A 90 20.981 39.030 7.057 1.00 42.42 H new ATOM 0 HG21 VAL A 90 22.680 36.963 5.522 1.00 20.31 H new ATOM 0 HG22 VAL A 90 21.070 37.502 4.988 1.00 20.31 H new ATOM 0 HG23 VAL A 90 22.464 37.642 3.891 1.00 20.31 H new ATOM 1278 N THR A 91 21.939 42.460 5.365 1.00 64.23 N ATOM 1279 CA THR A 91 22.600 43.755 5.463 1.00 13.31 C ATOM 1280 C THR A 91 22.825 44.149 6.919 1.00 73.44 C ATOM 1281 O THR A 91 21.944 43.975 7.760 1.00 10.05 O ATOM 1282 CB THR A 91 21.780 44.858 4.766 1.00 23.11 C ATOM 1283 OG1 THR A 91 20.787 44.269 3.920 1.00 71.15 O ATOM 1284 CG2 THR A 91 22.683 45.764 3.943 1.00 40.14 C ATOM 0 H THR A 91 21.053 42.399 5.867 1.00 64.23 H new ATOM 0 HA THR A 91 23.563 43.657 4.963 1.00 13.31 H new ATOM 0 HB THR A 91 21.292 45.458 5.534 1.00 23.11 H new ATOM 0 HG1 THR A 91 20.269 44.976 3.482 1.00 71.15 H new ATOM 0 HG21 THR A 91 22.082 46.535 3.460 1.00 40.14 H new ATOM 0 HG22 THR A 91 23.420 46.233 4.595 1.00 40.14 H new ATOM 0 HG23 THR A 91 23.195 45.174 3.183 1.00 40.14 H new ATOM 1292 N GLN A 92 24.009 44.679 7.207 1.00 14.21 N ATOM 1293 CA GLN A 92 24.348 45.097 8.562 1.00 1.12 C ATOM 1294 C GLN A 92 23.279 46.024 9.130 1.00 53.51 C ATOM 1295 O GLN A 92 23.338 47.241 8.949 1.00 13.34 O ATOM 1296 CB GLN A 92 25.708 45.798 8.577 1.00 73.31 C ATOM 1297 CG GLN A 92 26.886 44.840 8.505 1.00 43.33 C ATOM 1298 CD GLN A 92 28.009 45.362 7.629 1.00 32.41 C ATOM 1299 OE1 GLN A 92 27.783 45.774 6.491 1.00 44.00 O ATOM 1300 NE2 GLN A 92 29.227 45.346 8.157 1.00 64.15 N ATOM 0 H GLN A 92 24.749 44.829 6.521 1.00 14.21 H new ATOM 0 HA GLN A 92 24.399 44.206 9.187 1.00 1.12 H new ATOM 0 HB2 GLN A 92 25.761 46.489 7.736 1.00 73.31 H new ATOM 0 HB3 GLN A 92 25.790 46.394 9.486 1.00 73.31 H new ATOM 0 HG2 GLN A 92 27.267 44.662 9.511 1.00 43.33 H new ATOM 0 HG3 GLN A 92 26.545 43.879 8.119 1.00 43.33 H new ATOM 0 HE21 GLN A 92 29.368 44.995 9.105 1.00 64.15 H new ATOM 0 HE22 GLN A 92 30.022 45.684 7.615 1.00 64.15 H new