USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 607 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 THR OG1 : rot -140:sc= -0.13 USER MOD Set 1.2: A 69 ASN : amide:sc= -0.938 K(o=-1.1,f=-3.2!) USER MOD Set 2.1: A 34 ASN : amide:sc= 0 X(o=0,f=0.0081) USER MOD Set 2.2: A 36 ASN : amide:sc= 0 X(o=0,f=0.0081) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0.181 K(o=0.18,f=-2.3!) USER MOD Single : A 15 SER OG : rot 180:sc= 0.00237 USER MOD Single : A 16 THR OG1 : rot 57:sc= 1.23 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.694 X(o=-0.69,f=-0.55!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 160:sc= -1.05 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -3.48 K(o=-3.5,f=-1.6!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 55:sc= 0.585 USER MOD Single : A 62 HIS : no HD1:sc= -0.296 K(o=-0.3,f=-0.94) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 31:sc= 0.229 USER MOD Single : A 70 GLN : amide:sc=-0.00765 X(o=-0.0076,f=-0.14) USER MOD Single : A 72 ASN : amide:sc= -0.0652 X(o=-0.065,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 170:sc= -0.409 (180deg=-0.578) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc=-0.00603 X(o=-0.006,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 90:sc= -0.129 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= -0.304 K(o=-0.3,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 71 N VAL A 6 17.077 -0.566 1.467 1.00 1.11 N ATOM 72 CA VAL A 6 18.261 -1.253 1.969 1.00 31.31 C ATOM 73 C VAL A 6 18.603 -0.797 3.383 1.00 44.43 C ATOM 74 O VAL A 6 19.563 -0.054 3.591 1.00 52.12 O ATOM 75 CB VAL A 6 19.478 -1.015 1.055 1.00 32.35 C ATOM 76 CG1 VAL A 6 19.391 -1.887 -0.188 1.00 32.11 C ATOM 77 CG2 VAL A 6 19.582 0.455 0.680 1.00 52.05 C ATOM 0 HA VAL A 6 18.028 -2.318 1.981 1.00 31.31 H new ATOM 0 HB VAL A 6 20.380 -1.292 1.600 1.00 32.35 H new ATOM 0 HG11 VAL A 6 20.259 -1.705 -0.822 1.00 32.11 H new ATOM 0 HG12 VAL A 6 19.369 -2.937 0.105 1.00 32.11 H new ATOM 0 HG13 VAL A 6 18.482 -1.645 -0.739 1.00 32.11 H new ATOM 0 HG21 VAL A 6 20.447 0.605 0.034 1.00 52.05 H new ATOM 0 HG22 VAL A 6 18.678 0.761 0.153 1.00 52.05 H new ATOM 0 HG23 VAL A 6 19.695 1.054 1.584 1.00 52.05 H new ATOM 87 N SER A 7 17.813 -1.246 4.352 1.00 74.21 N ATOM 88 CA SER A 7 18.030 -0.881 5.747 1.00 71.12 C ATOM 89 C SER A 7 18.747 -2.000 6.496 1.00 35.40 C ATOM 90 O SER A 7 18.110 -2.893 7.056 1.00 22.43 O ATOM 91 CB SER A 7 16.696 -0.569 6.428 1.00 41.40 C ATOM 92 OG SER A 7 16.899 0.051 7.686 1.00 32.23 O ATOM 0 H SER A 7 17.016 -1.864 4.197 1.00 74.21 H new ATOM 0 HA SER A 7 18.659 0.009 5.770 1.00 71.12 H new ATOM 0 HB2 SER A 7 16.102 0.084 5.789 1.00 41.40 H new ATOM 0 HB3 SER A 7 16.127 -1.489 6.560 1.00 41.40 H new ATOM 0 HG SER A 7 16.032 0.242 8.100 1.00 32.23 H new ATOM 98 N ILE A 8 20.074 -1.945 6.501 1.00 41.10 N ATOM 99 CA ILE A 8 20.878 -2.953 7.182 1.00 52.44 C ATOM 100 C ILE A 8 21.670 -2.339 8.331 1.00 20.32 C ATOM 101 O ILE A 8 22.190 -1.229 8.218 1.00 71.32 O ATOM 102 CB ILE A 8 21.854 -3.644 6.211 1.00 10.44 C ATOM 103 CG1 ILE A 8 22.683 -4.696 6.951 1.00 73.02 C ATOM 104 CG2 ILE A 8 22.761 -2.616 5.551 1.00 54.22 C ATOM 105 CD1 ILE A 8 22.830 -5.994 6.189 1.00 73.35 C ATOM 0 H ILE A 8 20.616 -1.213 6.041 1.00 41.10 H new ATOM 0 HA ILE A 8 20.185 -3.696 7.578 1.00 52.44 H new ATOM 0 HB ILE A 8 21.277 -4.144 5.433 1.00 10.44 H new ATOM 0 HG12 ILE A 8 23.674 -4.289 7.154 1.00 73.02 H new ATOM 0 HG13 ILE A 8 22.218 -4.901 7.915 1.00 73.02 H new ATOM 0 HG21 ILE A 8 23.445 -3.120 4.868 1.00 54.22 H new ATOM 0 HG22 ILE A 8 22.155 -1.900 4.996 1.00 54.22 H new ATOM 0 HG23 ILE A 8 23.333 -2.091 6.316 1.00 54.22 H new ATOM 0 HD11 ILE A 8 23.429 -6.693 6.773 1.00 73.35 H new ATOM 0 HD12 ILE A 8 21.845 -6.423 6.008 1.00 73.35 H new ATOM 0 HD13 ILE A 8 23.323 -5.802 5.236 1.00 73.35 H new ATOM 117 N SER A 9 21.759 -3.071 9.437 1.00 4.25 N ATOM 118 CA SER A 9 22.487 -2.598 10.610 1.00 60.35 C ATOM 119 C SER A 9 23.710 -3.470 10.877 1.00 4.32 C ATOM 120 O SER A 9 23.587 -4.629 11.273 1.00 12.34 O ATOM 121 CB SER A 9 21.572 -2.593 11.836 1.00 44.11 C ATOM 122 OG SER A 9 20.233 -2.880 11.474 1.00 32.53 O ATOM 0 H SER A 9 21.337 -3.993 9.546 1.00 4.25 H new ATOM 0 HA SER A 9 22.824 -1.580 10.413 1.00 60.35 H new ATOM 0 HB2 SER A 9 21.923 -3.330 12.558 1.00 44.11 H new ATOM 0 HB3 SER A 9 21.619 -1.620 12.325 1.00 44.11 H new ATOM 0 HG SER A 9 19.669 -2.873 12.275 1.00 32.53 H new ATOM 128 N VAL A 10 24.893 -2.903 10.658 1.00 55.34 N ATOM 129 CA VAL A 10 26.140 -3.626 10.876 1.00 74.04 C ATOM 130 C VAL A 10 26.797 -3.206 12.186 1.00 73.04 C ATOM 131 O VAL A 10 26.887 -2.018 12.494 1.00 54.32 O ATOM 132 CB VAL A 10 27.131 -3.396 9.720 1.00 42.03 C ATOM 133 CG1 VAL A 10 27.480 -1.920 9.601 1.00 61.20 C ATOM 134 CG2 VAL A 10 28.385 -4.234 9.919 1.00 31.30 C ATOM 0 H VAL A 10 25.013 -1.945 10.330 1.00 55.34 H new ATOM 0 HA VAL A 10 25.888 -4.685 10.923 1.00 74.04 H new ATOM 0 HB VAL A 10 26.656 -3.709 8.790 1.00 42.03 H new ATOM 0 HG11 VAL A 10 28.181 -1.777 8.779 1.00 61.20 H new ATOM 0 HG12 VAL A 10 26.573 -1.346 9.409 1.00 61.20 H new ATOM 0 HG13 VAL A 10 27.936 -1.578 10.530 1.00 61.20 H new ATOM 0 HG21 VAL A 10 29.074 -4.059 9.093 1.00 31.30 H new ATOM 0 HG22 VAL A 10 28.864 -3.954 10.857 1.00 31.30 H new ATOM 0 HG23 VAL A 10 28.116 -5.290 9.950 1.00 31.30 H new ATOM 144 N SER A 11 27.255 -4.190 12.953 1.00 3.52 N ATOM 145 CA SER A 11 27.902 -3.923 14.233 1.00 52.54 C ATOM 146 C SER A 11 29.381 -4.294 14.182 1.00 34.40 C ATOM 147 O SER A 11 29.809 -5.317 14.718 1.00 74.14 O ATOM 148 CB SER A 11 27.207 -4.700 15.352 1.00 74.54 C ATOM 149 OG SER A 11 25.872 -4.259 15.526 1.00 15.14 O ATOM 0 H SER A 11 27.190 -5.179 12.711 1.00 3.52 H new ATOM 0 HA SER A 11 27.820 -2.856 14.438 1.00 52.54 H new ATOM 0 HB2 SER A 11 27.214 -5.765 15.118 1.00 74.54 H new ATOM 0 HB3 SER A 11 27.759 -4.574 16.283 1.00 74.54 H new ATOM 0 HG SER A 11 25.449 -4.772 16.246 1.00 15.14 H new ATOM 155 N PRO A 12 30.181 -3.444 13.522 1.00 24.33 N ATOM 156 CA PRO A 12 31.625 -3.661 13.386 1.00 73.04 C ATOM 157 C PRO A 12 32.365 -3.487 14.707 1.00 11.53 C ATOM 158 O PRO A 12 31.902 -2.778 15.602 1.00 42.43 O ATOM 159 CB PRO A 12 32.052 -2.583 12.387 1.00 43.41 C ATOM 160 CG PRO A 12 31.030 -1.508 12.529 1.00 71.44 C ATOM 161 CD PRO A 12 29.739 -2.206 12.860 1.00 45.24 C ATOM 0 HA PRO A 12 31.856 -4.676 13.064 1.00 73.04 H new ATOM 0 HB2 PRO A 12 33.052 -2.211 12.610 1.00 43.41 H new ATOM 0 HB3 PRO A 12 32.077 -2.974 11.370 1.00 43.41 H new ATOM 0 HG2 PRO A 12 31.308 -0.807 13.316 1.00 71.44 H new ATOM 0 HG3 PRO A 12 30.938 -0.933 11.608 1.00 71.44 H new ATOM 0 HD2 PRO A 12 29.112 -1.602 13.515 1.00 45.24 H new ATOM 0 HD3 PRO A 12 29.154 -2.416 11.964 1.00 45.24 H new ATOM 169 N THR A 13 33.518 -4.137 14.825 1.00 63.31 N ATOM 170 CA THR A 13 34.322 -4.055 16.038 1.00 43.54 C ATOM 171 C THR A 13 35.674 -3.407 15.758 1.00 31.31 C ATOM 172 O THR A 13 36.499 -3.960 15.033 1.00 61.34 O ATOM 173 CB THR A 13 34.551 -5.447 16.656 1.00 14.53 C ATOM 174 OG1 THR A 13 33.647 -6.394 16.077 1.00 32.33 O ATOM 175 CG2 THR A 13 34.355 -5.407 18.164 1.00 34.24 C ATOM 0 H THR A 13 33.917 -4.727 14.094 1.00 63.31 H new ATOM 0 HA THR A 13 33.766 -3.439 16.745 1.00 43.54 H new ATOM 0 HB THR A 13 35.577 -5.750 16.447 1.00 14.53 H new ATOM 0 HG1 THR A 13 33.800 -7.277 16.474 1.00 32.33 H new ATOM 0 HG21 THR A 13 34.522 -6.401 18.579 1.00 34.24 H new ATOM 0 HG22 THR A 13 35.064 -4.706 18.605 1.00 34.24 H new ATOM 0 HG23 THR A 13 33.338 -5.085 18.390 1.00 34.24 H new ATOM 183 N ASN A 14 35.894 -2.232 16.339 1.00 33.55 N ATOM 184 CA ASN A 14 37.147 -1.510 16.153 1.00 54.25 C ATOM 185 C ASN A 14 38.140 -1.848 17.260 1.00 61.01 C ATOM 186 O ASN A 14 38.064 -1.307 18.363 1.00 34.30 O ATOM 187 CB ASN A 14 36.890 -0.002 16.125 1.00 4.41 C ATOM 188 CG ASN A 14 35.997 0.454 17.263 1.00 25.11 C ATOM 189 OD1 ASN A 14 34.802 0.162 17.284 1.00 72.31 O ATOM 190 ND2 ASN A 14 36.576 1.174 18.217 1.00 41.21 N ATOM 0 H ASN A 14 35.221 -1.760 16.942 1.00 33.55 H new ATOM 0 HA ASN A 14 37.577 -1.817 15.199 1.00 54.25 H new ATOM 0 HB2 ASN A 14 37.842 0.527 16.179 1.00 4.41 H new ATOM 0 HB3 ASN A 14 36.429 0.268 15.175 1.00 4.41 H new ATOM 0 HD21 ASN A 14 36.026 1.509 19.008 1.00 41.21 H new ATOM 0 HD22 ASN A 14 37.571 1.392 18.158 1.00 41.21 H new ATOM 197 N SER A 15 39.072 -2.746 16.957 1.00 4.30 N ATOM 198 CA SER A 15 40.080 -3.159 17.927 1.00 14.12 C ATOM 199 C SER A 15 41.274 -3.803 17.230 1.00 40.43 C ATOM 200 O SER A 15 41.407 -3.733 16.007 1.00 12.43 O ATOM 201 CB SER A 15 39.475 -4.138 18.936 1.00 43.41 C ATOM 202 OG SER A 15 40.062 -3.978 20.216 1.00 51.21 O ATOM 0 H SER A 15 39.150 -3.202 16.048 1.00 4.30 H new ATOM 0 HA SER A 15 40.426 -2.271 18.455 1.00 14.12 H new ATOM 0 HB2 SER A 15 38.399 -3.977 19.003 1.00 43.41 H new ATOM 0 HB3 SER A 15 39.624 -5.161 18.589 1.00 43.41 H new ATOM 0 HG SER A 15 39.658 -4.613 20.843 1.00 51.21 H new ATOM 208 N THR A 16 42.143 -4.431 18.016 1.00 12.40 N ATOM 209 CA THR A 16 43.327 -5.086 17.476 1.00 22.21 C ATOM 210 C THR A 16 43.151 -6.600 17.442 1.00 15.14 C ATOM 211 O THR A 16 42.473 -7.175 18.295 1.00 64.25 O ATOM 212 CB THR A 16 44.583 -4.746 18.301 1.00 51.53 C ATOM 213 OG1 THR A 16 45.690 -5.539 17.858 1.00 34.34 O ATOM 214 CG2 THR A 16 44.339 -4.987 19.783 1.00 61.23 C ATOM 0 H THR A 16 42.048 -4.500 19.029 1.00 12.40 H new ATOM 0 HA THR A 16 43.457 -4.715 16.459 1.00 22.21 H new ATOM 0 HB THR A 16 44.812 -3.690 18.155 1.00 51.53 H new ATOM 0 HG1 THR A 16 45.838 -5.388 16.901 1.00 34.34 H new ATOM 0 HG21 THR A 16 45.240 -4.740 20.345 1.00 61.23 H new ATOM 0 HG22 THR A 16 43.516 -4.359 20.123 1.00 61.23 H new ATOM 0 HG23 THR A 16 44.087 -6.035 19.944 1.00 61.23 H new ATOM 222 N VAL A 17 43.764 -7.241 16.453 1.00 44.12 N ATOM 223 CA VAL A 17 43.676 -8.689 16.309 1.00 23.12 C ATOM 224 C VAL A 17 45.062 -9.322 16.260 1.00 45.24 C ATOM 225 O VAL A 17 46.036 -8.678 15.870 1.00 2.24 O ATOM 226 CB VAL A 17 42.899 -9.081 15.038 1.00 4.13 C ATOM 227 CG1 VAL A 17 43.696 -8.722 13.793 1.00 22.23 C ATOM 228 CG2 VAL A 17 42.562 -10.564 15.057 1.00 62.24 C ATOM 0 H VAL A 17 44.328 -6.780 15.739 1.00 44.12 H new ATOM 0 HA VAL A 17 43.141 -9.062 17.182 1.00 23.12 H new ATOM 0 HB VAL A 17 41.965 -8.520 15.016 1.00 4.13 H new ATOM 0 HG11 VAL A 17 43.131 -9.006 12.905 1.00 22.23 H new ATOM 0 HG12 VAL A 17 43.881 -7.648 13.777 1.00 22.23 H new ATOM 0 HG13 VAL A 17 44.647 -9.254 13.804 1.00 22.23 H new ATOM 0 HG21 VAL A 17 42.013 -10.824 14.152 1.00 62.24 H new ATOM 0 HG22 VAL A 17 43.483 -11.146 15.103 1.00 62.24 H new ATOM 0 HG23 VAL A 17 41.948 -10.787 15.930 1.00 62.24 H new ATOM 238 N ALA A 18 45.144 -10.588 16.656 1.00 13.42 N ATOM 239 CA ALA A 18 46.410 -11.309 16.655 1.00 43.14 C ATOM 240 C ALA A 18 46.878 -11.594 15.231 1.00 33.34 C ATOM 241 O ALA A 18 46.134 -11.394 14.271 1.00 44.25 O ATOM 242 CB ALA A 18 46.280 -12.606 17.439 1.00 1.24 C ATOM 0 H ALA A 18 44.347 -11.136 16.982 1.00 13.42 H new ATOM 0 HA ALA A 18 47.158 -10.680 17.137 1.00 43.14 H new ATOM 0 HB1 ALA A 18 47.234 -13.134 17.430 1.00 1.24 H new ATOM 0 HB2 ALA A 18 45.999 -12.382 18.468 1.00 1.24 H new ATOM 0 HB3 ALA A 18 45.514 -13.232 16.982 1.00 1.24 H new ATOM 248 N LYS A 19 48.114 -12.063 15.103 1.00 44.35 N ATOM 249 CA LYS A 19 48.682 -12.377 13.797 1.00 40.43 C ATOM 250 C LYS A 19 47.988 -13.586 13.178 1.00 54.41 C ATOM 251 O LYS A 19 47.954 -14.664 13.769 1.00 14.11 O ATOM 252 CB LYS A 19 50.183 -12.646 13.922 1.00 63.13 C ATOM 253 CG LYS A 19 50.932 -12.541 12.604 1.00 11.33 C ATOM 254 CD LYS A 19 52.138 -13.464 12.573 1.00 70.42 C ATOM 255 CE LYS A 19 51.819 -14.774 11.867 1.00 10.34 C ATOM 256 NZ LYS A 19 51.996 -15.946 12.768 1.00 61.40 N ATOM 0 H LYS A 19 48.742 -12.234 15.888 1.00 44.35 H new ATOM 0 HA LYS A 19 48.526 -11.518 13.145 1.00 40.43 H new ATOM 0 HB2 LYS A 19 50.612 -11.939 14.632 1.00 63.13 H new ATOM 0 HB3 LYS A 19 50.332 -13.643 14.336 1.00 63.13 H new ATOM 0 HG2 LYS A 19 50.261 -12.790 11.782 1.00 11.33 H new ATOM 0 HG3 LYS A 19 51.256 -11.512 12.450 1.00 11.33 H new ATOM 0 HD2 LYS A 19 52.965 -12.967 12.065 1.00 70.42 H new ATOM 0 HD3 LYS A 19 52.467 -13.669 13.592 1.00 70.42 H new ATOM 0 HE2 LYS A 19 50.793 -14.749 11.501 1.00 10.34 H new ATOM 0 HE3 LYS A 19 52.465 -14.884 10.996 1.00 10.34 H new ATOM 0 HZ1 LYS A 19 51.769 -16.819 12.250 1.00 61.40 H new ATOM 0 HZ2 LYS A 19 52.982 -15.985 13.097 1.00 61.40 H new ATOM 0 HZ3 LYS A 19 51.361 -15.854 13.586 1.00 61.40 H new ATOM 270 N GLY A 20 47.436 -13.398 11.983 1.00 73.13 N ATOM 271 CA GLY A 20 46.751 -14.483 11.304 1.00 41.55 C ATOM 272 C GLY A 20 45.529 -14.961 12.061 1.00 33.34 C ATOM 273 O GLY A 20 45.648 -15.643 13.080 1.00 22.13 O ATOM 0 H GLY A 20 47.451 -12.515 11.473 1.00 73.13 H new ATOM 0 HA2 GLY A 20 46.452 -14.153 10.309 1.00 41.55 H new ATOM 0 HA3 GLY A 20 47.441 -15.316 11.170 1.00 41.55 H new ATOM 277 N LEU A 21 44.349 -14.603 11.565 1.00 25.35 N ATOM 278 CA LEU A 21 43.099 -15.000 12.204 1.00 51.53 C ATOM 279 C LEU A 21 41.899 -14.468 11.426 1.00 32.44 C ATOM 280 O LEU A 21 42.050 -13.665 10.507 1.00 50.14 O ATOM 281 CB LEU A 21 43.055 -14.488 13.645 1.00 75.33 C ATOM 282 CG LEU A 21 43.005 -15.559 14.735 1.00 14.14 C ATOM 283 CD1 LEU A 21 44.087 -15.313 15.775 1.00 65.15 C ATOM 284 CD2 LEU A 21 41.631 -15.589 15.390 1.00 24.34 C ATOM 0 H LEU A 21 44.232 -14.039 10.723 1.00 25.35 H new ATOM 0 HA LEU A 21 43.052 -16.089 12.211 1.00 51.53 H new ATOM 0 HB2 LEU A 21 43.933 -13.865 13.815 1.00 75.33 H new ATOM 0 HB3 LEU A 21 42.182 -13.845 13.755 1.00 75.33 H new ATOM 0 HG LEU A 21 43.187 -16.529 14.273 1.00 14.14 H new ATOM 0 HD11 LEU A 21 44.036 -16.085 16.543 1.00 65.15 H new ATOM 0 HD12 LEU A 21 45.066 -15.342 15.296 1.00 65.15 H new ATOM 0 HD13 LEU A 21 43.936 -14.335 16.233 1.00 65.15 H new ATOM 0 HD21 LEU A 21 41.613 -16.357 16.163 1.00 24.34 H new ATOM 0 HD22 LEU A 21 41.420 -14.618 15.838 1.00 24.34 H new ATOM 0 HD23 LEU A 21 40.874 -15.814 14.638 1.00 24.34 H new ATOM 296 N GLN A 22 40.708 -14.921 11.804 1.00 31.54 N ATOM 297 CA GLN A 22 39.482 -14.490 11.143 1.00 31.13 C ATOM 298 C GLN A 22 38.498 -13.903 12.150 1.00 43.30 C ATOM 299 O GLN A 22 38.372 -14.398 13.269 1.00 31.02 O ATOM 300 CB GLN A 22 38.835 -15.664 10.406 1.00 42.23 C ATOM 301 CG GLN A 22 39.792 -16.406 9.487 1.00 72.42 C ATOM 302 CD GLN A 22 40.119 -17.799 9.987 1.00 34.54 C ATOM 303 OE1 GLN A 22 41.184 -18.032 10.559 1.00 62.32 O ATOM 304 NE2 GLN A 22 39.201 -18.736 9.775 1.00 11.53 N ATOM 0 H GLN A 22 40.566 -15.586 12.564 1.00 31.54 H new ATOM 0 HA GLN A 22 39.741 -13.715 10.421 1.00 31.13 H new ATOM 0 HB2 GLN A 22 38.431 -16.364 11.138 1.00 42.23 H new ATOM 0 HB3 GLN A 22 37.994 -15.295 9.819 1.00 42.23 H new ATOM 0 HG2 GLN A 22 39.354 -16.475 8.491 1.00 72.42 H new ATOM 0 HG3 GLN A 22 40.714 -15.833 9.390 1.00 72.42 H new ATOM 0 HE21 GLN A 22 38.332 -18.499 9.297 1.00 11.53 H new ATOM 0 HE22 GLN A 22 39.366 -19.692 10.091 1.00 11.53 H new ATOM 313 N GLU A 23 37.805 -12.844 11.744 1.00 54.14 N ATOM 314 CA GLU A 23 36.833 -12.189 12.612 1.00 42.23 C ATOM 315 C GLU A 23 35.441 -12.217 11.988 1.00 14.32 C ATOM 316 O GLU A 23 35.240 -11.744 10.870 1.00 1.24 O ATOM 317 CB GLU A 23 37.253 -10.743 12.884 1.00 1.03 C ATOM 318 CG GLU A 23 37.328 -9.885 11.633 1.00 51.52 C ATOM 319 CD GLU A 23 36.279 -8.790 11.613 1.00 53.13 C ATOM 320 OE1 GLU A 23 35.095 -9.097 11.865 1.00 21.12 O ATOM 321 OE2 GLU A 23 36.642 -7.626 11.344 1.00 2.55 O ATOM 0 H GLU A 23 37.898 -12.421 10.820 1.00 54.14 H new ATOM 0 HA GLU A 23 36.800 -12.734 13.555 1.00 42.23 H new ATOM 0 HB2 GLU A 23 36.546 -10.293 13.581 1.00 1.03 H new ATOM 0 HB3 GLU A 23 38.227 -10.742 13.374 1.00 1.03 H new ATOM 0 HG2 GLU A 23 38.319 -9.435 11.564 1.00 51.52 H new ATOM 0 HG3 GLU A 23 37.204 -10.518 10.755 1.00 51.52 H new ATOM 328 N ASN A 24 34.482 -12.775 12.720 1.00 21.13 N ATOM 329 CA ASN A 24 33.108 -12.866 12.239 1.00 23.34 C ATOM 330 C ASN A 24 32.286 -11.671 12.712 1.00 61.01 C ATOM 331 O ASN A 24 32.428 -11.216 13.847 1.00 34.44 O ATOM 332 CB ASN A 24 32.462 -14.167 12.722 1.00 43.41 C ATOM 333 CG ASN A 24 32.673 -14.401 14.205 1.00 32.13 C ATOM 334 OD1 ASN A 24 32.340 -13.552 15.033 1.00 72.43 O ATOM 335 ND2 ASN A 24 33.229 -15.557 14.548 1.00 34.34 N ATOM 0 H ASN A 24 34.631 -13.171 13.648 1.00 21.13 H new ATOM 0 HA ASN A 24 33.129 -12.861 11.149 1.00 23.34 H new ATOM 0 HB2 ASN A 24 31.393 -14.139 12.510 1.00 43.41 H new ATOM 0 HB3 ASN A 24 32.877 -15.005 12.162 1.00 43.41 H new ATOM 0 HD21 ASN A 24 33.396 -15.771 15.531 1.00 34.34 H new ATOM 0 HD22 ASN A 24 33.489 -16.231 13.828 1.00 34.34 H new ATOM 342 N PHE A 25 31.426 -11.167 11.833 1.00 2.12 N ATOM 343 CA PHE A 25 30.581 -10.024 12.160 1.00 61.23 C ATOM 344 C PHE A 25 29.106 -10.372 11.985 1.00 15.51 C ATOM 345 O PHE A 25 28.753 -11.522 11.723 1.00 0.31 O ATOM 346 CB PHE A 25 30.943 -8.827 11.278 1.00 74.10 C ATOM 347 CG PHE A 25 30.800 -9.100 9.808 1.00 61.50 C ATOM 348 CD1 PHE A 25 29.556 -9.058 9.199 1.00 21.54 C ATOM 349 CD2 PHE A 25 31.910 -9.400 9.035 1.00 62.12 C ATOM 350 CE1 PHE A 25 29.421 -9.309 7.847 1.00 65.22 C ATOM 351 CE2 PHE A 25 31.782 -9.651 7.682 1.00 72.31 C ATOM 352 CZ PHE A 25 30.536 -9.607 7.087 1.00 32.13 C ATOM 0 H PHE A 25 31.296 -11.532 10.889 1.00 2.12 H new ATOM 0 HA PHE A 25 30.753 -9.762 13.204 1.00 61.23 H new ATOM 0 HB2 PHE A 25 30.307 -7.983 11.546 1.00 74.10 H new ATOM 0 HB3 PHE A 25 31.971 -8.530 11.486 1.00 74.10 H new ATOM 0 HD1 PHE A 25 28.681 -8.826 9.788 1.00 21.54 H new ATOM 0 HD2 PHE A 25 32.886 -9.438 9.495 1.00 62.12 H new ATOM 0 HE1 PHE A 25 28.446 -9.272 7.385 1.00 65.22 H new ATOM 0 HE2 PHE A 25 32.656 -9.881 7.090 1.00 72.31 H new ATOM 0 HZ PHE A 25 30.434 -9.805 6.030 1.00 32.13 H new ATOM 362 N LYS A 26 28.246 -9.369 12.133 1.00 45.31 N ATOM 363 CA LYS A 26 26.809 -9.565 11.991 1.00 34.34 C ATOM 364 C LYS A 26 26.199 -8.494 11.093 1.00 71.12 C ATOM 365 O LYS A 26 26.380 -7.299 11.325 1.00 71.30 O ATOM 366 CB LYS A 26 26.132 -9.540 13.364 1.00 62.20 C ATOM 367 CG LYS A 26 26.317 -10.823 14.156 1.00 14.35 C ATOM 368 CD LYS A 26 25.578 -10.770 15.483 1.00 14.31 C ATOM 369 CE LYS A 26 26.190 -11.720 16.501 1.00 41.32 C ATOM 370 NZ LYS A 26 25.806 -11.362 17.894 1.00 23.25 N ATOM 0 H LYS A 26 28.521 -8.411 12.352 1.00 45.31 H new ATOM 0 HA LYS A 26 26.645 -10.538 11.529 1.00 34.34 H new ATOM 0 HB2 LYS A 26 26.531 -8.706 13.941 1.00 62.20 H new ATOM 0 HB3 LYS A 26 25.066 -9.355 13.231 1.00 62.20 H new ATOM 0 HG2 LYS A 26 25.956 -11.668 13.571 1.00 14.35 H new ATOM 0 HG3 LYS A 26 27.379 -10.991 14.336 1.00 14.35 H new ATOM 0 HD2 LYS A 26 25.602 -9.753 15.873 1.00 14.31 H new ATOM 0 HD3 LYS A 26 24.530 -11.027 15.328 1.00 14.31 H new ATOM 0 HE2 LYS A 26 25.868 -12.739 16.286 1.00 41.32 H new ATOM 0 HE3 LYS A 26 27.276 -11.702 16.408 1.00 41.32 H new ATOM 0 HZ1 LYS A 26 26.243 -12.033 18.558 1.00 23.25 H new ATOM 0 HZ2 LYS A 26 26.135 -10.399 18.108 1.00 23.25 H new ATOM 0 HZ3 LYS A 26 24.771 -11.404 17.990 1.00 23.25 H new ATOM 384 N ALA A 27 25.475 -8.930 10.067 1.00 32.43 N ATOM 385 CA ALA A 27 24.836 -8.009 9.137 1.00 54.45 C ATOM 386 C ALA A 27 23.432 -8.480 8.774 1.00 75.41 C ATOM 387 O ALA A 27 23.257 -9.544 8.178 1.00 34.14 O ATOM 388 CB ALA A 27 25.683 -7.853 7.882 1.00 33.32 C ATOM 0 H ALA A 27 25.317 -9.916 9.860 1.00 32.43 H new ATOM 0 HA ALA A 27 24.750 -7.039 9.627 1.00 54.45 H new ATOM 0 HB1 ALA A 27 25.193 -7.162 7.196 1.00 33.32 H new ATOM 0 HB2 ALA A 27 26.664 -7.462 8.152 1.00 33.32 H new ATOM 0 HB3 ALA A 27 25.799 -8.823 7.398 1.00 33.32 H new ATOM 394 N THR A 28 22.432 -7.683 9.137 1.00 12.22 N ATOM 395 CA THR A 28 21.043 -8.020 8.852 1.00 51.31 C ATOM 396 C THR A 28 20.401 -6.981 7.939 1.00 4.44 C ATOM 397 O THR A 28 20.163 -5.845 8.347 1.00 13.23 O ATOM 398 CB THR A 28 20.215 -8.131 10.146 1.00 73.32 C ATOM 399 OG1 THR A 28 21.079 -8.081 11.286 1.00 12.25 O ATOM 400 CG2 THR A 28 19.415 -9.425 10.166 1.00 14.03 C ATOM 0 H THR A 28 22.559 -6.799 9.629 1.00 12.22 H new ATOM 0 HA THR A 28 21.049 -8.987 8.349 1.00 51.31 H new ATOM 0 HB THR A 28 19.520 -7.292 10.180 1.00 73.32 H new ATOM 0 HG1 THR A 28 20.545 -8.150 12.105 1.00 12.25 H new ATOM 0 HG21 THR A 28 18.838 -9.482 11.089 1.00 14.03 H new ATOM 0 HG22 THR A 28 18.737 -9.447 9.313 1.00 14.03 H new ATOM 0 HG23 THR A 28 20.096 -10.275 10.111 1.00 14.03 H new ATOM 408 N GLY A 29 20.124 -7.378 6.701 1.00 15.22 N ATOM 409 CA GLY A 29 19.511 -6.468 5.750 1.00 22.44 C ATOM 410 C GLY A 29 18.000 -6.438 5.868 1.00 43.14 C ATOM 411 O GLY A 29 17.358 -7.483 5.972 1.00 61.53 O ATOM 0 H GLY A 29 20.313 -8.313 6.339 1.00 15.22 H new ATOM 0 HA2 GLY A 29 19.905 -5.464 5.907 1.00 22.44 H new ATOM 0 HA3 GLY A 29 19.788 -6.764 4.738 1.00 22.44 H new ATOM 415 N ILE A 30 17.431 -5.237 5.852 1.00 24.34 N ATOM 416 CA ILE A 30 15.987 -5.076 5.958 1.00 14.35 C ATOM 417 C ILE A 30 15.444 -4.220 4.819 1.00 1.41 C ATOM 418 O ILE A 30 15.664 -3.009 4.779 1.00 15.21 O ATOM 419 CB ILE A 30 15.589 -4.435 7.301 1.00 31.13 C ATOM 420 CG1 ILE A 30 16.305 -5.136 8.458 1.00 75.33 C ATOM 421 CG2 ILE A 30 14.081 -4.495 7.491 1.00 55.15 C ATOM 422 CD1 ILE A 30 15.947 -6.600 8.591 1.00 15.12 C ATOM 0 H ILE A 30 17.948 -4.362 5.767 1.00 24.34 H new ATOM 0 HA ILE A 30 15.553 -6.074 5.898 1.00 14.35 H new ATOM 0 HB ILE A 30 15.893 -3.388 7.291 1.00 31.13 H new ATOM 0 HG12 ILE A 30 17.382 -5.045 8.317 1.00 75.33 H new ATOM 0 HG13 ILE A 30 16.061 -4.624 9.389 1.00 75.33 H new ATOM 0 HG21 ILE A 30 13.816 -4.038 8.444 1.00 55.15 H new ATOM 0 HG22 ILE A 30 13.590 -3.955 6.681 1.00 55.15 H new ATOM 0 HG23 ILE A 30 13.754 -5.535 7.484 1.00 55.15 H new ATOM 0 HD11 ILE A 30 16.491 -7.033 9.431 1.00 15.12 H new ATOM 0 HD12 ILE A 30 14.875 -6.698 8.763 1.00 15.12 H new ATOM 0 HD13 ILE A 30 16.217 -7.125 7.675 1.00 15.12 H new ATOM 434 N PHE A 31 14.733 -4.857 3.895 1.00 51.53 N ATOM 435 CA PHE A 31 14.157 -4.153 2.754 1.00 23.41 C ATOM 436 C PHE A 31 12.638 -4.291 2.741 1.00 53.31 C ATOM 437 O PHE A 31 12.101 -5.396 2.823 1.00 63.34 O ATOM 438 CB PHE A 31 14.741 -4.694 1.447 1.00 30.22 C ATOM 439 CG PHE A 31 15.056 -3.623 0.443 1.00 54.15 C ATOM 440 CD1 PHE A 31 14.191 -2.557 0.253 1.00 72.00 C ATOM 441 CD2 PHE A 31 16.216 -3.681 -0.312 1.00 23.42 C ATOM 442 CE1 PHE A 31 14.478 -1.570 -0.671 1.00 73.44 C ATOM 443 CE2 PHE A 31 16.509 -2.697 -1.237 1.00 72.44 C ATOM 444 CZ PHE A 31 15.639 -1.640 -1.417 1.00 14.04 C ATOM 0 H PHE A 31 14.542 -5.859 3.913 1.00 51.53 H new ATOM 0 HA PHE A 31 14.407 -3.096 2.846 1.00 23.41 H new ATOM 0 HB2 PHE A 31 15.651 -5.252 1.668 1.00 30.22 H new ATOM 0 HB3 PHE A 31 14.035 -5.398 1.006 1.00 30.22 H new ATOM 0 HD1 PHE A 31 13.282 -2.497 0.834 1.00 72.00 H new ATOM 0 HD2 PHE A 31 16.900 -4.506 -0.176 1.00 23.42 H new ATOM 0 HE1 PHE A 31 13.795 -0.745 -0.810 1.00 73.44 H new ATOM 0 HE2 PHE A 31 17.417 -2.755 -1.818 1.00 72.44 H new ATOM 0 HZ PHE A 31 15.865 -0.870 -2.139 1.00 14.04 H new ATOM 454 N THR A 32 11.948 -3.159 2.638 1.00 50.21 N ATOM 455 CA THR A 32 10.491 -3.151 2.616 1.00 72.12 C ATOM 456 C THR A 32 9.959 -3.639 1.273 1.00 33.54 C ATOM 457 O THR A 32 8.920 -4.298 1.209 1.00 43.32 O ATOM 458 CB THR A 32 9.932 -1.743 2.895 1.00 21.00 C ATOM 459 OG1 THR A 32 10.333 -1.307 4.199 1.00 51.44 O ATOM 460 CG2 THR A 32 8.414 -1.734 2.796 1.00 42.40 C ATOM 0 H THR A 32 12.376 -2.236 2.568 1.00 50.21 H new ATOM 0 HA THR A 32 10.160 -3.828 3.403 1.00 72.12 H new ATOM 0 HB THR A 32 10.333 -1.061 2.145 1.00 21.00 H new ATOM 0 HG1 THR A 32 9.975 -0.410 4.369 1.00 51.44 H new ATOM 0 HG21 THR A 32 8.042 -0.729 2.997 1.00 42.40 H new ATOM 0 HG22 THR A 32 8.113 -2.039 1.794 1.00 42.40 H new ATOM 0 HG23 THR A 32 7.998 -2.428 3.526 1.00 42.40 H new ATOM 468 N ASP A 33 10.676 -3.314 0.204 1.00 4.10 N ATOM 469 CA ASP A 33 10.277 -3.721 -1.138 1.00 30.40 C ATOM 470 C ASP A 33 10.979 -5.013 -1.545 1.00 70.12 C ATOM 471 O ASP A 33 11.121 -5.307 -2.731 1.00 55.44 O ATOM 472 CB ASP A 33 10.593 -2.615 -2.145 1.00 44.14 C ATOM 473 CG ASP A 33 9.993 -2.886 -3.511 1.00 21.21 C ATOM 474 OD1 ASP A 33 8.760 -2.749 -3.655 1.00 50.32 O ATOM 475 OD2 ASP A 33 10.756 -3.235 -4.435 1.00 63.04 O ATOM 0 H ASP A 33 11.538 -2.769 0.240 1.00 4.10 H new ATOM 0 HA ASP A 33 9.202 -3.899 -1.132 1.00 30.40 H new ATOM 0 HB2 ASP A 33 10.215 -1.665 -1.767 1.00 44.14 H new ATOM 0 HB3 ASP A 33 11.674 -2.512 -2.240 1.00 44.14 H new ATOM 480 N ASN A 34 11.418 -5.780 -0.553 1.00 34.54 N ATOM 481 CA ASN A 34 12.107 -7.040 -0.808 1.00 33.33 C ATOM 482 C ASN A 34 11.900 -8.017 0.346 1.00 2.33 C ATOM 483 O ASN A 34 11.279 -9.066 0.181 1.00 34.22 O ATOM 484 CB ASN A 34 13.602 -6.794 -1.021 1.00 13.14 C ATOM 485 CG ASN A 34 14.088 -7.314 -2.359 1.00 44.35 C ATOM 486 OD1 ASN A 34 13.847 -6.702 -3.400 1.00 44.13 O ATOM 487 ND2 ASN A 34 14.777 -8.449 -2.338 1.00 43.23 N ATOM 0 H ASN A 34 11.309 -5.551 0.435 1.00 34.54 H new ATOM 0 HA ASN A 34 11.685 -7.479 -1.712 1.00 33.33 H new ATOM 0 HB2 ASN A 34 13.805 -5.725 -0.954 1.00 13.14 H new ATOM 0 HB3 ASN A 34 14.164 -7.276 -0.221 1.00 13.14 H new ATOM 0 HD21 ASN A 34 15.130 -8.847 -3.208 1.00 43.23 H new ATOM 0 HD22 ASN A 34 14.953 -8.922 -1.452 1.00 43.23 H new ATOM 494 N SER A 35 12.425 -7.663 1.515 1.00 44.21 N ATOM 495 CA SER A 35 12.302 -8.509 2.696 1.00 14.22 C ATOM 496 C SER A 35 13.121 -9.786 2.538 1.00 42.10 C ATOM 497 O SER A 35 12.570 -10.876 2.396 1.00 31.41 O ATOM 498 CB SER A 35 10.834 -8.859 2.947 1.00 33.11 C ATOM 499 OG SER A 35 10.602 -9.133 4.318 1.00 71.20 O ATOM 0 H SER A 35 12.940 -6.796 1.669 1.00 44.21 H new ATOM 0 HA SER A 35 12.688 -7.955 3.551 1.00 14.22 H new ATOM 0 HB2 SER A 35 10.200 -8.033 2.626 1.00 33.11 H new ATOM 0 HB3 SER A 35 10.556 -9.726 2.348 1.00 33.11 H new ATOM 0 HG SER A 35 9.656 -9.352 4.452 1.00 71.20 H new ATOM 505 N ASN A 36 14.442 -9.641 2.564 1.00 41.24 N ATOM 506 CA ASN A 36 15.339 -10.782 2.423 1.00 42.15 C ATOM 507 C ASN A 36 16.615 -10.575 3.233 1.00 11.52 C ATOM 508 O ASN A 36 16.892 -9.470 3.701 1.00 25.44 O ATOM 509 CB ASN A 36 15.688 -11.004 0.949 1.00 2.34 C ATOM 510 CG ASN A 36 14.618 -11.787 0.213 1.00 0.53 C ATOM 511 OD1 ASN A 36 13.812 -11.217 -0.522 1.00 40.24 O ATOM 512 ND2 ASN A 36 14.606 -13.100 0.409 1.00 12.12 N ATOM 0 H ASN A 36 14.915 -8.745 2.681 1.00 41.24 H new ATOM 0 HA ASN A 36 14.826 -11.664 2.806 1.00 42.15 H new ATOM 0 HB2 ASN A 36 15.828 -10.039 0.462 1.00 2.34 H new ATOM 0 HB3 ASN A 36 16.637 -11.536 0.879 1.00 2.34 H new ATOM 0 HD21 ASN A 36 13.909 -13.679 -0.059 1.00 12.12 H new ATOM 0 HD22 ASN A 36 15.294 -13.530 1.027 1.00 12.12 H new ATOM 519 N SER A 37 17.388 -11.644 3.394 1.00 13.13 N ATOM 520 CA SER A 37 18.633 -11.580 4.151 1.00 74.51 C ATOM 521 C SER A 37 19.776 -11.079 3.274 1.00 1.34 C ATOM 522 O SER A 37 19.670 -11.058 2.048 1.00 71.30 O ATOM 523 CB SER A 37 18.978 -12.957 4.721 1.00 23.40 C ATOM 524 OG SER A 37 18.518 -13.087 6.055 1.00 61.30 O ATOM 0 H SER A 37 17.174 -12.565 3.011 1.00 13.13 H new ATOM 0 HA SER A 37 18.495 -10.878 4.973 1.00 74.51 H new ATOM 0 HB2 SER A 37 18.529 -13.733 4.101 1.00 23.40 H new ATOM 0 HB3 SER A 37 20.057 -13.107 4.689 1.00 23.40 H new ATOM 0 HG SER A 37 18.749 -13.976 6.396 1.00 61.30 H new ATOM 530 N ASP A 38 20.869 -10.675 3.913 1.00 53.44 N ATOM 531 CA ASP A 38 22.034 -10.173 3.193 1.00 74.45 C ATOM 532 C ASP A 38 22.627 -11.257 2.297 1.00 12.04 C ATOM 533 O ASP A 38 23.291 -12.177 2.777 1.00 53.33 O ATOM 534 CB ASP A 38 23.091 -9.672 4.177 1.00 44.12 C ATOM 535 CG ASP A 38 24.434 -9.435 3.513 1.00 14.50 C ATOM 536 OD1 ASP A 38 24.449 -8.972 2.353 1.00 13.40 O ATOM 537 OD2 ASP A 38 25.469 -9.711 4.154 1.00 50.22 O ATOM 0 H ASP A 38 20.972 -10.685 4.928 1.00 53.44 H new ATOM 0 HA ASP A 38 21.713 -9.343 2.564 1.00 74.45 H new ATOM 0 HB2 ASP A 38 22.747 -8.745 4.635 1.00 44.12 H new ATOM 0 HB3 ASP A 38 23.209 -10.399 4.980 1.00 44.12 H new ATOM 542 N ILE A 39 22.382 -11.142 0.997 1.00 70.24 N ATOM 543 CA ILE A 39 22.892 -12.112 0.035 1.00 10.13 C ATOM 544 C ILE A 39 22.439 -11.773 -1.381 1.00 2.42 C ATOM 545 O ILE A 39 23.164 -12.005 -2.349 1.00 54.03 O ATOM 546 CB ILE A 39 22.433 -13.541 0.380 1.00 24.22 C ATOM 547 CG1 ILE A 39 22.813 -14.507 -0.744 1.00 75.13 C ATOM 548 CG2 ILE A 39 20.933 -13.571 0.628 1.00 54.33 C ATOM 549 CD1 ILE A 39 21.700 -14.739 -1.742 1.00 73.41 C ATOM 0 H ILE A 39 21.834 -10.387 0.585 1.00 70.24 H new ATOM 0 HA ILE A 39 23.980 -12.066 0.087 1.00 10.13 H new ATOM 0 HB ILE A 39 22.938 -13.858 1.292 1.00 24.22 H new ATOM 0 HG12 ILE A 39 23.685 -14.117 -1.269 1.00 75.13 H new ATOM 0 HG13 ILE A 39 23.105 -15.463 -0.308 1.00 75.13 H new ATOM 0 HG21 ILE A 39 20.625 -14.588 0.871 1.00 54.33 H new ATOM 0 HG22 ILE A 39 20.688 -12.910 1.459 1.00 54.33 H new ATOM 0 HG23 ILE A 39 20.409 -13.237 -0.268 1.00 54.33 H new ATOM 0 HD11 ILE A 39 22.039 -15.434 -2.510 1.00 73.41 H new ATOM 0 HD12 ILE A 39 20.834 -15.159 -1.230 1.00 73.41 H new ATOM 0 HD13 ILE A 39 21.424 -13.792 -2.206 1.00 73.41 H new ATOM 561 N THR A 40 21.236 -11.219 -1.495 1.00 33.21 N ATOM 562 CA THR A 40 20.686 -10.847 -2.792 1.00 53.31 C ATOM 563 C THR A 40 21.484 -9.712 -3.422 1.00 43.54 C ATOM 564 O THR A 40 21.786 -9.740 -4.616 1.00 31.03 O ATOM 565 CB THR A 40 19.211 -10.418 -2.675 1.00 32.12 C ATOM 566 OG1 THR A 40 18.454 -11.441 -2.019 1.00 30.42 O ATOM 567 CG2 THR A 40 18.617 -10.142 -4.048 1.00 33.22 C ATOM 0 H THR A 40 20.624 -11.018 -0.704 1.00 33.21 H new ATOM 0 HA THR A 40 20.751 -11.730 -3.428 1.00 53.31 H new ATOM 0 HB THR A 40 19.168 -9.501 -2.087 1.00 32.12 H new ATOM 0 HG1 THR A 40 17.518 -11.160 -1.947 1.00 30.42 H new ATOM 0 HG21 THR A 40 17.575 -9.841 -3.940 1.00 33.22 H new ATOM 0 HG22 THR A 40 19.177 -9.343 -4.533 1.00 33.22 H new ATOM 0 HG23 THR A 40 18.672 -11.045 -4.657 1.00 33.22 H new ATOM 575 N ASP A 41 21.825 -8.714 -2.614 1.00 15.10 N ATOM 576 CA ASP A 41 22.591 -7.569 -3.093 1.00 35.03 C ATOM 577 C ASP A 41 24.087 -7.800 -2.906 1.00 12.11 C ATOM 578 O ASP A 41 24.910 -7.124 -3.523 1.00 32.22 O ATOM 579 CB ASP A 41 22.162 -6.298 -2.357 1.00 62.23 C ATOM 580 CG ASP A 41 21.824 -5.166 -3.307 1.00 10.10 C ATOM 581 OD1 ASP A 41 22.529 -5.017 -4.327 1.00 34.11 O ATOM 582 OD2 ASP A 41 20.855 -4.428 -3.030 1.00 1.13 O ATOM 0 H ASP A 41 21.583 -8.675 -1.624 1.00 15.10 H new ATOM 0 HA ASP A 41 22.391 -7.448 -4.158 1.00 35.03 H new ATOM 0 HB2 ASP A 41 21.295 -6.517 -1.734 1.00 62.23 H new ATOM 0 HB3 ASP A 41 22.962 -5.981 -1.688 1.00 62.23 H new ATOM 587 N GLN A 42 24.430 -8.757 -2.051 1.00 25.45 N ATOM 588 CA GLN A 42 25.828 -9.075 -1.782 1.00 31.34 C ATOM 589 C GLN A 42 26.608 -7.821 -1.402 1.00 62.12 C ATOM 590 O GLN A 42 27.176 -7.147 -2.262 1.00 23.14 O ATOM 591 CB GLN A 42 26.466 -9.738 -3.004 1.00 5.53 C ATOM 592 CG GLN A 42 25.625 -10.855 -3.600 1.00 1.45 C ATOM 593 CD GLN A 42 26.276 -11.493 -4.810 1.00 63.34 C ATOM 594 OE1 GLN A 42 27.337 -11.059 -5.261 1.00 13.11 O ATOM 595 NE2 GLN A 42 25.643 -12.531 -5.345 1.00 24.22 N ATOM 0 H GLN A 42 23.760 -9.326 -1.533 1.00 25.45 H new ATOM 0 HA GLN A 42 25.862 -9.769 -0.942 1.00 31.34 H new ATOM 0 HB2 GLN A 42 26.642 -8.980 -3.767 1.00 5.53 H new ATOM 0 HB3 GLN A 42 27.440 -10.139 -2.722 1.00 5.53 H new ATOM 0 HG2 GLN A 42 25.451 -11.618 -2.841 1.00 1.45 H new ATOM 0 HG3 GLN A 42 24.650 -10.459 -3.883 1.00 1.45 H new ATOM 0 HE21 GLN A 42 24.766 -12.858 -4.939 1.00 24.22 H new ATOM 0 HE22 GLN A 42 26.034 -13.001 -6.161 1.00 24.22 H new ATOM 604 N VAL A 43 26.632 -7.513 -0.109 1.00 54.03 N ATOM 605 CA VAL A 43 27.343 -6.340 0.384 1.00 11.13 C ATOM 606 C VAL A 43 28.773 -6.303 -0.142 1.00 42.41 C ATOM 607 O VAL A 43 29.422 -7.340 -0.286 1.00 15.21 O ATOM 608 CB VAL A 43 27.373 -6.309 1.924 1.00 42.41 C ATOM 609 CG1 VAL A 43 28.170 -5.111 2.418 1.00 25.22 C ATOM 610 CG2 VAL A 43 25.959 -6.286 2.484 1.00 51.31 C ATOM 0 H VAL A 43 26.167 -8.060 0.616 1.00 54.03 H new ATOM 0 HA VAL A 43 26.803 -5.466 0.020 1.00 11.13 H new ATOM 0 HB VAL A 43 27.865 -7.215 2.279 1.00 42.41 H new ATOM 0 HG11 VAL A 43 28.180 -5.105 3.508 1.00 25.22 H new ATOM 0 HG12 VAL A 43 29.192 -5.176 2.046 1.00 25.22 H new ATOM 0 HG13 VAL A 43 27.709 -4.192 2.055 1.00 25.22 H new ATOM 0 HG21 VAL A 43 25.999 -6.264 3.573 1.00 51.31 H new ATOM 0 HG22 VAL A 43 25.439 -5.399 2.122 1.00 51.31 H new ATOM 0 HG23 VAL A 43 25.424 -7.178 2.158 1.00 51.31 H new ATOM 620 N THR A 44 29.262 -5.100 -0.428 1.00 55.34 N ATOM 621 CA THR A 44 30.615 -4.926 -0.940 1.00 22.23 C ATOM 622 C THR A 44 31.602 -4.668 0.193 1.00 20.22 C ATOM 623 O THR A 44 31.551 -3.627 0.848 1.00 44.13 O ATOM 624 CB THR A 44 30.691 -3.762 -1.946 1.00 71.50 C ATOM 625 OG1 THR A 44 29.563 -3.803 -2.828 1.00 22.15 O ATOM 626 CG2 THR A 44 31.977 -3.830 -2.756 1.00 32.21 C ATOM 0 H THR A 44 28.740 -4.231 -0.313 1.00 55.34 H new ATOM 0 HA THR A 44 30.882 -5.853 -1.448 1.00 22.23 H new ATOM 0 HB THR A 44 30.681 -2.826 -1.387 1.00 71.50 H new ATOM 0 HG1 THR A 44 29.617 -3.059 -3.463 1.00 22.15 H new ATOM 0 HG21 THR A 44 32.008 -2.998 -3.460 1.00 32.21 H new ATOM 0 HG22 THR A 44 32.834 -3.770 -2.085 1.00 32.21 H new ATOM 0 HG23 THR A 44 32.012 -4.771 -3.305 1.00 32.21 H new ATOM 634 N TRP A 45 32.498 -5.622 0.419 1.00 45.31 N ATOM 635 CA TRP A 45 33.498 -5.496 1.474 1.00 62.45 C ATOM 636 C TRP A 45 34.887 -5.276 0.884 1.00 52.51 C ATOM 637 O TRP A 45 35.179 -5.725 -0.224 1.00 42.14 O ATOM 638 CB TRP A 45 33.498 -6.746 2.356 1.00 40.12 C ATOM 639 CG TRP A 45 33.463 -6.438 3.822 1.00 10.41 C ATOM 640 CD1 TRP A 45 34.512 -6.040 4.601 1.00 32.34 C ATOM 641 CD2 TRP A 45 32.322 -6.504 4.685 1.00 41.44 C ATOM 642 NE1 TRP A 45 34.092 -5.855 5.896 1.00 34.25 N ATOM 643 CE2 TRP A 45 32.752 -6.132 5.974 1.00 63.05 C ATOM 644 CE3 TRP A 45 30.979 -6.838 4.493 1.00 31.14 C ATOM 645 CZ2 TRP A 45 31.886 -6.088 7.063 1.00 44.11 C ATOM 646 CZ3 TRP A 45 30.121 -6.794 5.576 1.00 71.13 C ATOM 647 CH2 TRP A 45 30.577 -6.421 6.847 1.00 53.40 C ATOM 0 H TRP A 45 32.553 -6.490 -0.113 1.00 45.31 H new ATOM 0 HA TRP A 45 33.241 -4.629 2.083 1.00 62.45 H new ATOM 0 HB2 TRP A 45 32.636 -7.362 2.101 1.00 40.12 H new ATOM 0 HB3 TRP A 45 34.388 -7.336 2.137 1.00 40.12 H new ATOM 0 HD1 TRP A 45 35.523 -5.892 4.251 1.00 32.34 H new ATOM 0 HE1 TRP A 45 34.682 -5.559 6.674 1.00 34.25 H new ATOM 0 HE3 TRP A 45 30.618 -7.125 3.517 1.00 31.14 H new ATOM 0 HZ2 TRP A 45 32.235 -5.801 8.044 1.00 44.11 H new ATOM 0 HZ3 TRP A 45 29.081 -7.052 5.440 1.00 71.13 H new ATOM 0 HH2 TRP A 45 29.881 -6.396 7.673 1.00 53.40 H new ATOM 658 N ASP A 46 35.738 -4.582 1.631 1.00 44.32 N ATOM 659 CA ASP A 46 37.097 -4.303 1.182 1.00 45.43 C ATOM 660 C ASP A 46 38.075 -4.341 2.352 1.00 22.41 C ATOM 661 O ASP A 46 37.735 -3.959 3.471 1.00 14.33 O ATOM 662 CB ASP A 46 37.160 -2.938 0.494 1.00 41.01 C ATOM 663 CG ASP A 46 38.280 -2.854 -0.524 1.00 42.43 C ATOM 664 OD1 ASP A 46 39.451 -2.726 -0.109 1.00 64.32 O ATOM 665 OD2 ASP A 46 37.986 -2.916 -1.736 1.00 51.11 O ATOM 0 H ASP A 46 35.511 -4.202 2.550 1.00 44.32 H new ATOM 0 HA ASP A 46 37.382 -5.075 0.468 1.00 45.43 H new ATOM 0 HB2 ASP A 46 36.209 -2.739 0.001 1.00 41.01 H new ATOM 0 HB3 ASP A 46 37.298 -2.161 1.246 1.00 41.01 H new ATOM 670 N SER A 47 39.291 -4.807 2.086 1.00 63.35 N ATOM 671 CA SER A 47 40.317 -4.901 3.118 1.00 42.14 C ATOM 672 C SER A 47 41.601 -4.208 2.672 1.00 62.04 C ATOM 673 O SER A 47 41.913 -4.161 1.482 1.00 50.42 O ATOM 674 CB SER A 47 40.604 -6.367 3.450 1.00 40.52 C ATOM 675 OG SER A 47 41.176 -6.494 4.740 1.00 60.51 O ATOM 0 H SER A 47 39.590 -5.125 1.164 1.00 63.35 H new ATOM 0 HA SER A 47 39.945 -4.400 4.012 1.00 42.14 H new ATOM 0 HB2 SER A 47 39.680 -6.942 3.400 1.00 40.52 H new ATOM 0 HB3 SER A 47 41.281 -6.786 2.706 1.00 40.52 H new ATOM 0 HG SER A 47 41.057 -7.412 5.061 1.00 60.51 H new ATOM 681 N SER A 48 42.342 -3.672 3.636 1.00 42.41 N ATOM 682 CA SER A 48 43.591 -2.977 3.344 1.00 71.42 C ATOM 683 C SER A 48 44.505 -3.843 2.481 1.00 15.41 C ATOM 684 O SER A 48 44.246 -5.028 2.280 1.00 20.40 O ATOM 685 CB SER A 48 44.305 -2.600 4.643 1.00 11.50 C ATOM 686 OG SER A 48 44.597 -1.213 4.680 1.00 70.31 O ATOM 0 H SER A 48 42.100 -3.705 4.626 1.00 42.41 H new ATOM 0 HA SER A 48 43.352 -2.068 2.792 1.00 71.42 H new ATOM 0 HB2 SER A 48 43.680 -2.866 5.496 1.00 11.50 H new ATOM 0 HB3 SER A 48 45.228 -3.172 4.733 1.00 11.50 H new ATOM 0 HG SER A 48 45.052 -0.997 5.521 1.00 70.31 H new ATOM 692 N ASN A 49 45.575 -3.239 1.974 1.00 74.22 N ATOM 693 CA ASN A 49 46.527 -3.953 1.132 1.00 65.42 C ATOM 694 C ASN A 49 47.958 -3.717 1.608 1.00 34.50 C ATOM 695 O ASN A 49 48.480 -2.606 1.516 1.00 14.22 O ATOM 696 CB ASN A 49 46.384 -3.511 -0.326 1.00 12.43 C ATOM 697 CG ASN A 49 46.397 -4.681 -1.290 1.00 34.45 C ATOM 698 OD1 ASN A 49 47.277 -5.540 -1.229 1.00 42.44 O ATOM 699 ND2 ASN A 49 45.417 -4.721 -2.185 1.00 51.11 N ATOM 0 H ASN A 49 45.804 -2.258 2.132 1.00 74.22 H new ATOM 0 HA ASN A 49 46.309 -5.019 1.204 1.00 65.42 H new ATOM 0 HB2 ASN A 49 45.453 -2.957 -0.445 1.00 12.43 H new ATOM 0 HB3 ASN A 49 47.196 -2.828 -0.577 1.00 12.43 H new ATOM 0 HD21 ASN A 49 45.372 -5.486 -2.859 1.00 51.11 H new ATOM 0 HD22 ASN A 49 44.709 -3.987 -2.199 1.00 51.11 H new ATOM 706 N THR A 50 48.588 -4.772 2.117 1.00 14.32 N ATOM 707 CA THR A 50 49.957 -4.680 2.608 1.00 33.23 C ATOM 708 C THR A 50 50.705 -5.991 2.397 1.00 23.22 C ATOM 709 O THR A 50 51.634 -6.064 1.592 1.00 2.05 O ATOM 710 CB THR A 50 49.994 -4.316 4.105 1.00 74.44 C ATOM 711 OG1 THR A 50 48.671 -4.357 4.651 1.00 32.15 O ATOM 712 CG2 THR A 50 50.590 -2.932 4.310 1.00 25.44 C ATOM 0 H THR A 50 48.172 -5.699 2.200 1.00 14.32 H new ATOM 0 HA THR A 50 50.445 -3.890 2.038 1.00 33.23 H new ATOM 0 HB THR A 50 50.622 -5.044 4.619 1.00 74.44 H new ATOM 0 HG1 THR A 50 48.550 -3.609 5.273 1.00 32.15 H new ATOM 0 HG21 THR A 50 50.606 -2.697 5.374 1.00 25.44 H new ATOM 0 HG22 THR A 50 51.607 -2.912 3.919 1.00 25.44 H new ATOM 0 HG23 THR A 50 49.985 -2.194 3.784 1.00 25.44 H new ATOM 720 N ASP A 51 50.295 -7.025 3.124 1.00 42.21 N ATOM 721 CA ASP A 51 50.927 -8.335 3.015 1.00 55.24 C ATOM 722 C ASP A 51 49.928 -9.380 2.527 1.00 21.23 C ATOM 723 O ASP A 51 50.239 -10.188 1.651 1.00 34.24 O ATOM 724 CB ASP A 51 51.509 -8.758 4.364 1.00 62.00 C ATOM 725 CG ASP A 51 52.348 -7.667 5.000 1.00 64.31 C ATOM 726 OD1 ASP A 51 52.789 -6.756 4.269 1.00 52.11 O ATOM 727 OD2 ASP A 51 52.565 -7.725 6.229 1.00 65.54 O ATOM 0 H ASP A 51 49.528 -6.981 3.795 1.00 42.21 H new ATOM 0 HA ASP A 51 51.735 -8.263 2.287 1.00 55.24 H new ATOM 0 HB2 ASP A 51 50.696 -9.027 5.039 1.00 62.00 H new ATOM 0 HB3 ASP A 51 52.120 -9.650 4.229 1.00 62.00 H new ATOM 732 N ILE A 52 48.730 -9.359 3.101 1.00 72.10 N ATOM 733 CA ILE A 52 47.687 -10.305 2.725 1.00 54.02 C ATOM 734 C ILE A 52 46.388 -10.016 3.470 1.00 30.31 C ATOM 735 O ILE A 52 46.356 -10.004 4.701 1.00 14.54 O ATOM 736 CB ILE A 52 48.115 -11.757 3.007 1.00 61.25 C ATOM 737 CG1 ILE A 52 46.986 -12.724 2.645 1.00 31.41 C ATOM 738 CG2 ILE A 52 48.511 -11.919 4.466 1.00 3.35 C ATOM 739 CD1 ILE A 52 46.550 -12.631 1.200 1.00 61.34 C ATOM 0 H ILE A 52 48.458 -8.697 3.828 1.00 72.10 H new ATOM 0 HA ILE A 52 47.524 -10.185 1.654 1.00 54.02 H new ATOM 0 HB ILE A 52 48.981 -11.991 2.388 1.00 61.25 H new ATOM 0 HG12 ILE A 52 47.311 -13.743 2.853 1.00 31.41 H new ATOM 0 HG13 ILE A 52 46.129 -12.526 3.288 1.00 31.41 H new ATOM 0 HG21 ILE A 52 48.811 -12.951 4.649 1.00 3.35 H new ATOM 0 HG22 ILE A 52 49.344 -11.253 4.693 1.00 3.35 H new ATOM 0 HG23 ILE A 52 47.663 -11.669 5.103 1.00 3.35 H new ATOM 0 HD11 ILE A 52 45.747 -13.345 1.016 1.00 61.34 H new ATOM 0 HD12 ILE A 52 46.194 -11.622 0.992 1.00 61.34 H new ATOM 0 HD13 ILE A 52 47.395 -12.859 0.550 1.00 61.34 H new ATOM 751 N LEU A 53 45.318 -9.787 2.717 1.00 44.54 N ATOM 752 CA LEU A 53 44.015 -9.500 3.305 1.00 11.24 C ATOM 753 C LEU A 53 42.892 -10.079 2.451 1.00 40.13 C ATOM 754 O LEU A 53 42.825 -9.833 1.247 1.00 51.35 O ATOM 755 CB LEU A 53 43.825 -7.990 3.462 1.00 21.02 C ATOM 756 CG LEU A 53 44.844 -7.274 4.349 1.00 22.04 C ATOM 757 CD1 LEU A 53 46.075 -6.888 3.544 1.00 22.30 C ATOM 758 CD2 LEU A 53 44.220 -6.045 4.994 1.00 33.21 C ATOM 0 H LEU A 53 45.327 -9.795 1.697 1.00 44.54 H new ATOM 0 HA LEU A 53 43.977 -9.969 4.288 1.00 11.24 H new ATOM 0 HB2 LEU A 53 43.853 -7.536 2.472 1.00 21.02 H new ATOM 0 HB3 LEU A 53 42.830 -7.810 3.868 1.00 21.02 H new ATOM 0 HG LEU A 53 45.152 -7.958 5.140 1.00 22.04 H new ATOM 0 HD11 LEU A 53 46.789 -6.380 4.192 1.00 22.30 H new ATOM 0 HD12 LEU A 53 46.535 -7.785 3.130 1.00 22.30 H new ATOM 0 HD13 LEU A 53 45.784 -6.222 2.732 1.00 22.30 H new ATOM 0 HD21 LEU A 53 44.960 -5.548 5.622 1.00 33.21 H new ATOM 0 HD22 LEU A 53 43.883 -5.358 4.218 1.00 33.21 H new ATOM 0 HD23 LEU A 53 43.370 -6.347 5.605 1.00 33.21 H new ATOM 770 N SER A 54 42.011 -10.848 3.082 1.00 11.24 N ATOM 771 CA SER A 54 40.891 -11.463 2.380 1.00 62.43 C ATOM 772 C SER A 54 39.582 -11.216 3.123 1.00 73.44 C ATOM 773 O SER A 54 39.535 -11.262 4.352 1.00 30.32 O ATOM 774 CB SER A 54 41.125 -12.967 2.222 1.00 43.03 C ATOM 775 OG SER A 54 41.183 -13.333 0.854 1.00 71.20 O ATOM 0 H SER A 54 42.051 -11.060 4.079 1.00 11.24 H new ATOM 0 HA SER A 54 40.819 -11.008 1.392 1.00 62.43 H new ATOM 0 HB2 SER A 54 42.055 -13.247 2.717 1.00 43.03 H new ATOM 0 HB3 SER A 54 40.323 -13.517 2.715 1.00 43.03 H new ATOM 0 HG SER A 54 41.335 -14.298 0.780 1.00 71.20 H new ATOM 781 N ILE A 55 38.521 -10.954 2.367 1.00 74.40 N ATOM 782 CA ILE A 55 37.210 -10.701 2.953 1.00 61.13 C ATOM 783 C ILE A 55 36.167 -11.670 2.406 1.00 22.13 C ATOM 784 O ILE A 55 36.036 -11.838 1.194 1.00 61.50 O ATOM 785 CB ILE A 55 36.743 -9.258 2.685 1.00 4.15 C ATOM 786 CG1 ILE A 55 36.964 -8.891 1.217 1.00 62.15 C ATOM 787 CG2 ILE A 55 37.479 -8.286 3.596 1.00 20.21 C ATOM 788 CD1 ILE A 55 38.327 -8.295 0.941 1.00 52.12 C ATOM 0 H ILE A 55 38.543 -10.911 1.348 1.00 74.40 H new ATOM 0 HA ILE A 55 37.311 -10.848 4.028 1.00 61.13 H new ATOM 0 HB ILE A 55 35.676 -9.191 2.900 1.00 4.15 H new ATOM 0 HG12 ILE A 55 36.836 -9.784 0.605 1.00 62.15 H new ATOM 0 HG13 ILE A 55 36.197 -8.181 0.909 1.00 62.15 H new ATOM 0 HG21 ILE A 55 37.139 -7.270 3.395 1.00 20.21 H new ATOM 0 HG22 ILE A 55 37.276 -8.538 4.637 1.00 20.21 H new ATOM 0 HG23 ILE A 55 38.551 -8.353 3.409 1.00 20.21 H new ATOM 0 HD11 ILE A 55 38.413 -8.059 -0.120 1.00 52.12 H new ATOM 0 HD12 ILE A 55 38.451 -7.384 1.526 1.00 52.12 H new ATOM 0 HD13 ILE A 55 39.100 -9.012 1.217 1.00 52.12 H new ATOM 800 N SER A 56 35.426 -12.304 3.309 1.00 32.13 N ATOM 801 CA SER A 56 34.395 -13.258 2.918 1.00 31.32 C ATOM 802 C SER A 56 33.040 -12.862 3.496 1.00 11.54 C ATOM 803 O SER A 56 32.847 -12.864 4.711 1.00 13.13 O ATOM 804 CB SER A 56 34.769 -14.666 3.386 1.00 62.01 C ATOM 805 OG SER A 56 35.152 -15.482 2.292 1.00 2.32 O ATOM 0 H SER A 56 35.520 -12.174 4.316 1.00 32.13 H new ATOM 0 HA SER A 56 34.323 -13.251 1.830 1.00 31.32 H new ATOM 0 HB2 SER A 56 35.586 -14.609 4.105 1.00 62.01 H new ATOM 0 HB3 SER A 56 33.922 -15.118 3.902 1.00 62.01 H new ATOM 0 HG SER A 56 35.388 -16.376 2.617 1.00 2.32 H new ATOM 811 N ASN A 57 32.105 -12.521 2.616 1.00 54.03 N ATOM 812 CA ASN A 57 30.767 -12.121 3.037 1.00 0.15 C ATOM 813 C ASN A 57 29.724 -12.532 2.002 1.00 24.24 C ATOM 814 O ASN A 57 30.010 -13.313 1.095 1.00 2.11 O ATOM 815 CB ASN A 57 30.711 -10.608 3.261 1.00 62.33 C ATOM 816 CG ASN A 57 32.063 -10.028 3.630 1.00 72.02 C ATOM 817 OD1 ASN A 57 32.375 -9.853 4.808 1.00 52.43 O ATOM 818 ND2 ASN A 57 32.873 -9.727 2.621 1.00 15.23 N ATOM 0 H ASN A 57 32.249 -12.514 1.606 1.00 54.03 H new ATOM 0 HA ASN A 57 30.542 -12.629 3.975 1.00 0.15 H new ATOM 0 HB2 ASN A 57 30.345 -10.123 2.356 1.00 62.33 H new ATOM 0 HB3 ASN A 57 29.995 -10.387 4.053 1.00 62.33 H new ATOM 0 HD21 ASN A 57 33.796 -9.334 2.807 1.00 15.23 H new ATOM 0 HD22 ASN A 57 32.572 -9.889 1.660 1.00 15.23 H new ATOM 825 N ALA A 58 28.515 -12.001 2.145 1.00 12.53 N ATOM 826 CA ALA A 58 27.430 -12.310 1.222 1.00 44.12 C ATOM 827 C ALA A 58 27.022 -13.775 1.326 1.00 34.22 C ATOM 828 O ALA A 58 26.362 -14.310 0.436 1.00 75.44 O ATOM 829 CB ALA A 58 27.840 -11.975 -0.205 1.00 2.44 C ATOM 0 H ALA A 58 28.262 -11.354 2.892 1.00 12.53 H new ATOM 0 HA ALA A 58 26.569 -11.700 1.494 1.00 44.12 H new ATOM 0 HB1 ALA A 58 27.020 -12.211 -0.884 1.00 2.44 H new ATOM 0 HB2 ALA A 58 28.076 -10.913 -0.276 1.00 2.44 H new ATOM 0 HB3 ALA A 58 28.718 -12.561 -0.478 1.00 2.44 H new ATOM 835 N SER A 59 27.419 -14.419 2.419 1.00 35.12 N ATOM 836 CA SER A 59 27.097 -15.825 2.638 1.00 50.44 C ATOM 837 C SER A 59 25.668 -15.982 3.149 1.00 41.12 C ATOM 838 O SER A 59 24.942 -16.882 2.727 1.00 53.11 O ATOM 839 CB SER A 59 28.078 -16.445 3.634 1.00 63.33 C ATOM 840 OG SER A 59 28.949 -17.359 2.990 1.00 71.43 O ATOM 0 H SER A 59 27.964 -13.990 3.167 1.00 35.12 H new ATOM 0 HA SER A 59 27.182 -16.345 1.684 1.00 50.44 H new ATOM 0 HB2 SER A 59 28.661 -15.658 4.113 1.00 63.33 H new ATOM 0 HB3 SER A 59 27.526 -16.957 4.422 1.00 63.33 H new ATOM 0 HG SER A 59 29.567 -17.740 3.648 1.00 71.43 H new ATOM 846 N ASP A 60 25.272 -15.100 4.060 1.00 63.00 N ATOM 847 CA ASP A 60 23.930 -15.139 4.629 1.00 2.12 C ATOM 848 C ASP A 60 23.738 -14.016 5.644 1.00 74.12 C ATOM 849 O ASP A 60 22.647 -13.459 5.768 1.00 31.15 O ATOM 850 CB ASP A 60 23.674 -16.493 5.293 1.00 12.42 C ATOM 851 CG ASP A 60 22.415 -17.161 4.777 1.00 33.34 C ATOM 852 OD1 ASP A 60 22.267 -17.274 3.543 1.00 73.12 O ATOM 853 OD2 ASP A 60 21.577 -17.571 5.608 1.00 10.13 O ATOM 0 H ASP A 60 25.861 -14.349 4.420 1.00 63.00 H new ATOM 0 HA ASP A 60 23.214 -14.999 3.819 1.00 2.12 H new ATOM 0 HB2 ASP A 60 24.528 -17.148 5.117 1.00 12.42 H new ATOM 0 HB3 ASP A 60 23.594 -16.356 6.371 1.00 12.42 H new ATOM 858 N SER A 61 24.804 -13.690 6.367 1.00 12.32 N ATOM 859 CA SER A 61 24.751 -12.637 7.375 1.00 52.34 C ATOM 860 C SER A 61 26.136 -12.371 7.956 1.00 42.43 C ATOM 861 O SER A 61 26.732 -11.320 7.715 1.00 60.24 O ATOM 862 CB SER A 61 23.781 -13.021 8.494 1.00 41.22 C ATOM 863 OG SER A 61 23.832 -12.084 9.556 1.00 33.42 O ATOM 0 H SER A 61 25.715 -14.139 6.274 1.00 12.32 H new ATOM 0 HA SER A 61 24.397 -11.725 6.894 1.00 52.34 H new ATOM 0 HB2 SER A 61 22.767 -13.073 8.099 1.00 41.22 H new ATOM 0 HB3 SER A 61 24.028 -14.014 8.869 1.00 41.22 H new ATOM 0 HG SER A 61 23.670 -11.183 9.206 1.00 33.42 H new ATOM 869 N HIS A 62 26.644 -13.330 8.723 1.00 75.30 N ATOM 870 CA HIS A 62 27.959 -13.201 9.339 1.00 64.10 C ATOM 871 C HIS A 62 29.060 -13.589 8.356 1.00 52.00 C ATOM 872 O HIS A 62 29.035 -14.674 7.777 1.00 32.44 O ATOM 873 CB HIS A 62 28.047 -14.074 10.591 1.00 3.34 C ATOM 874 CG HIS A 62 27.932 -15.540 10.309 1.00 33.01 C ATOM 875 ND1 HIS A 62 26.722 -16.189 10.180 1.00 14.51 N ATOM 876 CD2 HIS A 62 28.884 -16.485 10.129 1.00 2.20 C ATOM 877 CE1 HIS A 62 26.935 -17.469 9.935 1.00 52.02 C ATOM 878 NE2 HIS A 62 28.239 -17.675 9.898 1.00 11.22 N ATOM 0 H HIS A 62 26.164 -14.205 8.933 1.00 75.30 H new ATOM 0 HA HIS A 62 28.099 -12.158 9.622 1.00 64.10 H new ATOM 0 HB2 HIS A 62 28.996 -13.882 11.091 1.00 3.34 H new ATOM 0 HB3 HIS A 62 27.257 -13.783 11.283 1.00 3.34 H new ATOM 0 HD2 HIS A 62 29.953 -16.332 10.161 1.00 2.20 H new ATOM 0 HE1 HIS A 62 26.172 -18.220 9.790 1.00 52.02 H new ATOM 0 HE2 HIS A 62 28.693 -18.572 9.726 1.00 11.22 H new ATOM 886 N GLY A 63 30.025 -12.693 8.172 1.00 70.15 N ATOM 887 CA GLY A 63 31.120 -12.960 7.257 1.00 20.04 C ATOM 888 C GLY A 63 32.344 -13.510 7.963 1.00 13.32 C ATOM 889 O GLY A 63 32.229 -14.343 8.863 1.00 13.01 O ATOM 0 H GLY A 63 30.068 -11.788 8.640 1.00 70.15 H new ATOM 0 HA2 GLY A 63 30.791 -13.671 6.499 1.00 20.04 H new ATOM 0 HA3 GLY A 63 31.387 -12.040 6.736 1.00 20.04 H new ATOM 893 N LEU A 64 33.519 -13.045 7.555 1.00 40.24 N ATOM 894 CA LEU A 64 34.770 -13.496 8.153 1.00 25.40 C ATOM 895 C LEU A 64 35.965 -12.802 7.507 1.00 71.03 C ATOM 896 O LEU A 64 36.405 -13.184 6.423 1.00 44.52 O ATOM 897 CB LEU A 64 34.909 -15.013 8.010 1.00 70.11 C ATOM 898 CG LEU A 64 34.620 -15.585 6.622 1.00 60.43 C ATOM 899 CD1 LEU A 64 35.855 -16.272 6.060 1.00 43.55 C ATOM 900 CD2 LEU A 64 33.448 -16.555 6.678 1.00 43.21 C ATOM 0 H LEU A 64 33.632 -12.355 6.812 1.00 40.24 H new ATOM 0 HA LEU A 64 34.751 -13.237 9.212 1.00 25.40 H new ATOM 0 HB2 LEU A 64 35.924 -15.293 8.292 1.00 70.11 H new ATOM 0 HB3 LEU A 64 34.237 -15.488 8.724 1.00 70.11 H new ATOM 0 HG LEU A 64 34.354 -14.762 5.959 1.00 60.43 H new ATOM 0 HD11 LEU A 64 35.630 -16.673 5.072 1.00 43.55 H new ATOM 0 HD12 LEU A 64 36.669 -15.551 5.983 1.00 43.55 H new ATOM 0 HD13 LEU A 64 36.152 -17.085 6.722 1.00 43.55 H new ATOM 0 HD21 LEU A 64 33.257 -16.952 5.681 1.00 43.21 H new ATOM 0 HD22 LEU A 64 33.686 -17.375 7.356 1.00 43.21 H new ATOM 0 HD23 LEU A 64 32.561 -16.033 7.037 1.00 43.21 H new ATOM 912 N ALA A 65 36.486 -11.782 8.181 1.00 53.12 N ATOM 913 CA ALA A 65 37.632 -11.037 7.674 1.00 33.14 C ATOM 914 C ALA A 65 38.942 -11.654 8.152 1.00 71.44 C ATOM 915 O ALA A 65 39.180 -11.776 9.353 1.00 24.50 O ATOM 916 CB ALA A 65 37.546 -9.580 8.103 1.00 14.13 C ATOM 0 H ALA A 65 36.133 -11.453 9.079 1.00 53.12 H new ATOM 0 HA ALA A 65 37.613 -11.086 6.585 1.00 33.14 H new ATOM 0 HB1 ALA A 65 38.408 -9.036 7.717 1.00 14.13 H new ATOM 0 HB2 ALA A 65 36.631 -9.138 7.708 1.00 14.13 H new ATOM 0 HB3 ALA A 65 37.537 -9.521 9.191 1.00 14.13 H new ATOM 922 N SER A 66 39.788 -12.043 7.203 1.00 51.02 N ATOM 923 CA SER A 66 41.073 -12.652 7.527 1.00 75.23 C ATOM 924 C SER A 66 42.223 -11.716 7.171 1.00 41.34 C ATOM 925 O SER A 66 42.348 -11.271 6.029 1.00 75.01 O ATOM 926 CB SER A 66 41.233 -13.980 6.785 1.00 74.44 C ATOM 927 OG SER A 66 42.478 -14.586 7.086 1.00 72.12 O ATOM 0 H SER A 66 39.607 -11.947 6.204 1.00 51.02 H new ATOM 0 HA SER A 66 41.098 -12.838 8.601 1.00 75.23 H new ATOM 0 HB2 SER A 66 40.421 -14.654 7.060 1.00 74.44 H new ATOM 0 HB3 SER A 66 41.157 -13.811 5.711 1.00 74.44 H new ATOM 0 HG SER A 66 42.555 -15.434 6.601 1.00 72.12 H new ATOM 933 N THR A 67 43.064 -11.419 8.157 1.00 72.40 N ATOM 934 CA THR A 67 44.204 -10.535 7.950 1.00 73.30 C ATOM 935 C THR A 67 45.466 -11.108 8.584 1.00 20.13 C ATOM 936 O THR A 67 45.470 -11.478 9.759 1.00 0.44 O ATOM 937 CB THR A 67 43.941 -9.134 8.532 1.00 12.34 C ATOM 938 OG1 THR A 67 43.633 -9.233 9.927 1.00 2.34 O ATOM 939 CG2 THR A 67 42.794 -8.451 7.802 1.00 2.23 C ATOM 0 H THR A 67 42.977 -11.778 9.108 1.00 72.40 H new ATOM 0 HA THR A 67 44.348 -10.451 6.873 1.00 73.30 H new ATOM 0 HB THR A 67 44.842 -8.535 8.401 1.00 12.34 H new ATOM 0 HG1 THR A 67 44.111 -9.996 10.314 1.00 2.34 H new ATOM 0 HG21 THR A 67 42.627 -7.463 8.231 1.00 2.23 H new ATOM 0 HG22 THR A 67 43.043 -8.351 6.746 1.00 2.23 H new ATOM 0 HG23 THR A 67 41.889 -9.049 7.906 1.00 2.23 H new ATOM 947 N LEU A 68 46.536 -11.179 7.801 1.00 44.23 N ATOM 948 CA LEU A 68 47.807 -11.706 8.287 1.00 73.44 C ATOM 949 C LEU A 68 48.970 -10.831 7.832 1.00 53.43 C ATOM 950 O LEU A 68 49.906 -11.308 7.192 1.00 31.02 O ATOM 951 CB LEU A 68 48.009 -13.140 7.792 1.00 52.31 C ATOM 952 CG LEU A 68 46.757 -14.017 7.747 1.00 23.12 C ATOM 953 CD1 LEU A 68 46.141 -13.998 6.357 1.00 43.21 C ATOM 954 CD2 LEU A 68 47.090 -15.442 8.166 1.00 53.04 C ATOM 0 H LEU A 68 46.549 -10.878 6.826 1.00 44.23 H new ATOM 0 HA LEU A 68 47.780 -11.704 9.377 1.00 73.44 H new ATOM 0 HB2 LEU A 68 48.437 -13.100 6.790 1.00 52.31 H new ATOM 0 HB3 LEU A 68 48.745 -13.624 8.434 1.00 52.31 H new ATOM 0 HG LEU A 68 46.028 -13.613 8.450 1.00 23.12 H new ATOM 0 HD11 LEU A 68 45.251 -14.628 6.345 1.00 43.21 H new ATOM 0 HD12 LEU A 68 45.866 -12.976 6.095 1.00 43.21 H new ATOM 0 HD13 LEU A 68 46.863 -14.376 5.634 1.00 43.21 H new ATOM 0 HD21 LEU A 68 46.188 -16.053 8.128 1.00 53.04 H new ATOM 0 HD22 LEU A 68 47.837 -15.856 7.488 1.00 53.04 H new ATOM 0 HD23 LEU A 68 47.484 -15.440 9.182 1.00 53.04 H new ATOM 966 N ASN A 69 48.904 -9.547 8.168 1.00 13.53 N ATOM 967 CA ASN A 69 49.952 -8.604 7.796 1.00 44.12 C ATOM 968 C ASN A 69 50.574 -7.965 9.034 1.00 41.43 C ATOM 969 O ASN A 69 49.937 -7.874 10.083 1.00 25.51 O ATOM 970 CB ASN A 69 49.388 -7.519 6.876 1.00 4.33 C ATOM 971 CG ASN A 69 48.690 -6.414 7.646 1.00 24.11 C ATOM 972 OD1 ASN A 69 47.850 -6.677 8.507 1.00 62.25 O ATOM 973 ND2 ASN A 69 49.036 -5.169 7.339 1.00 62.44 N ATOM 0 H ASN A 69 48.135 -9.136 8.697 1.00 13.53 H new ATOM 0 HA ASN A 69 50.729 -9.154 7.264 1.00 44.12 H new ATOM 0 HB2 ASN A 69 50.197 -7.091 6.285 1.00 4.33 H new ATOM 0 HB3 ASN A 69 48.685 -7.970 6.175 1.00 4.33 H new ATOM 0 HD21 ASN A 69 48.601 -4.384 7.824 1.00 62.44 H new ATOM 0 HD22 ASN A 69 49.737 -4.998 6.618 1.00 62.44 H new ATOM 980 N GLN A 70 51.820 -7.522 8.902 1.00 25.40 N ATOM 981 CA GLN A 70 52.528 -6.892 10.010 1.00 12.31 C ATOM 982 C GLN A 70 52.231 -5.397 10.065 1.00 42.32 C ATOM 983 O GLN A 70 52.862 -4.603 9.369 1.00 44.52 O ATOM 984 CB GLN A 70 54.034 -7.120 9.877 1.00 25.22 C ATOM 985 CG GLN A 70 54.483 -8.500 10.331 1.00 11.01 C ATOM 986 CD GLN A 70 54.985 -9.357 9.185 1.00 14.35 C ATOM 987 OE1 GLN A 70 55.814 -8.921 8.386 1.00 23.35 O ATOM 988 NE2 GLN A 70 54.483 -10.583 9.099 1.00 30.23 N ATOM 0 H GLN A 70 52.360 -7.588 8.039 1.00 25.40 H new ATOM 0 HA GLN A 70 52.180 -7.348 10.937 1.00 12.31 H new ATOM 0 HB2 GLN A 70 54.324 -6.977 8.836 1.00 25.22 H new ATOM 0 HB3 GLN A 70 54.560 -6.365 10.461 1.00 25.22 H new ATOM 0 HG2 GLN A 70 55.273 -8.394 11.074 1.00 11.01 H new ATOM 0 HG3 GLN A 70 53.651 -9.006 10.821 1.00 11.01 H new ATOM 0 HE21 GLN A 70 53.798 -10.903 9.784 1.00 30.23 H new ATOM 0 HE22 GLN A 70 54.783 -11.205 8.348 1.00 30.23 H new ATOM 997 N GLY A 71 51.265 -5.020 10.897 1.00 2.22 N ATOM 998 CA GLY A 71 50.901 -3.621 11.027 1.00 45.12 C ATOM 999 C GLY A 71 49.427 -3.430 11.321 1.00 73.22 C ATOM 1000 O GLY A 71 48.879 -4.068 12.218 1.00 35.24 O ATOM 0 H GLY A 71 50.728 -5.659 11.484 1.00 2.22 H new ATOM 0 HA2 GLY A 71 51.489 -3.169 11.826 1.00 45.12 H new ATOM 0 HA3 GLY A 71 51.156 -3.096 10.107 1.00 45.12 H new ATOM 1004 N ASN A 72 48.783 -2.548 10.563 1.00 1.13 N ATOM 1005 CA ASN A 72 47.363 -2.273 10.749 1.00 71.10 C ATOM 1006 C ASN A 72 46.621 -2.321 9.417 1.00 72.41 C ATOM 1007 O ASN A 72 47.183 -2.003 8.369 1.00 73.02 O ATOM 1008 CB ASN A 72 47.169 -0.904 11.405 1.00 75.35 C ATOM 1009 CG ASN A 72 47.899 0.200 10.665 1.00 20.10 C ATOM 1010 OD1 ASN A 72 49.037 0.534 10.993 1.00 5.32 O ATOM 1011 ND2 ASN A 72 47.245 0.772 9.661 1.00 42.13 N ATOM 0 H ASN A 72 49.222 -2.012 9.815 1.00 1.13 H new ATOM 0 HA ASN A 72 46.951 -3.043 11.402 1.00 71.10 H new ATOM 0 HB2 ASN A 72 46.105 -0.670 11.444 1.00 75.35 H new ATOM 0 HB3 ASN A 72 47.524 -0.944 12.435 1.00 75.35 H new ATOM 0 HD21 ASN A 72 47.685 1.521 9.126 1.00 42.13 H new ATOM 0 HD22 ASN A 72 46.302 0.463 9.424 1.00 42.13 H new ATOM 1018 N VAL A 73 45.354 -2.722 9.466 1.00 41.55 N ATOM 1019 CA VAL A 73 44.534 -2.810 8.264 1.00 74.14 C ATOM 1020 C VAL A 73 43.161 -2.186 8.488 1.00 50.31 C ATOM 1021 O VAL A 73 42.548 -2.368 9.540 1.00 0.41 O ATOM 1022 CB VAL A 73 44.353 -4.272 7.814 1.00 61.03 C ATOM 1023 CG1 VAL A 73 45.705 -4.937 7.604 1.00 71.04 C ATOM 1024 CG2 VAL A 73 43.523 -5.043 8.829 1.00 54.32 C ATOM 0 H VAL A 73 44.874 -2.991 10.325 1.00 41.55 H new ATOM 0 HA VAL A 73 45.058 -2.259 7.483 1.00 74.14 H new ATOM 0 HB VAL A 73 43.820 -4.278 6.863 1.00 61.03 H new ATOM 0 HG11 VAL A 73 45.557 -5.969 7.286 1.00 71.04 H new ATOM 0 HG12 VAL A 73 46.261 -4.397 6.837 1.00 71.04 H new ATOM 0 HG13 VAL A 73 46.267 -4.922 8.538 1.00 71.04 H new ATOM 0 HG21 VAL A 73 43.405 -6.074 8.495 1.00 54.32 H new ATOM 0 HG22 VAL A 73 44.026 -5.030 9.796 1.00 54.32 H new ATOM 0 HG23 VAL A 73 42.542 -4.578 8.925 1.00 54.32 H new ATOM 1034 N LYS A 74 42.682 -1.449 7.491 1.00 5.54 N ATOM 1035 CA LYS A 74 41.381 -0.797 7.577 1.00 33.43 C ATOM 1036 C LYS A 74 40.370 -1.478 6.660 1.00 61.32 C ATOM 1037 O LYS A 74 40.532 -1.488 5.440 1.00 44.05 O ATOM 1038 CB LYS A 74 41.503 0.683 7.210 1.00 52.14 C ATOM 1039 CG LYS A 74 40.528 1.577 7.956 1.00 52.54 C ATOM 1040 CD LYS A 74 39.147 1.548 7.322 1.00 20.20 C ATOM 1041 CE LYS A 74 38.050 1.566 8.375 1.00 31.54 C ATOM 1042 NZ LYS A 74 37.209 2.791 8.280 1.00 72.45 N ATOM 0 H LYS A 74 43.176 -1.288 6.613 1.00 5.54 H new ATOM 0 HA LYS A 74 41.028 -0.881 8.605 1.00 33.43 H new ATOM 0 HB2 LYS A 74 42.520 1.017 7.416 1.00 52.14 H new ATOM 0 HB3 LYS A 74 41.341 0.797 6.138 1.00 52.14 H new ATOM 0 HG2 LYS A 74 40.459 1.254 8.995 1.00 52.54 H new ATOM 0 HG3 LYS A 74 40.904 2.600 7.964 1.00 52.54 H new ATOM 0 HD2 LYS A 74 39.031 2.406 6.660 1.00 20.20 H new ATOM 0 HD3 LYS A 74 39.047 0.654 6.706 1.00 20.20 H new ATOM 0 HE2 LYS A 74 37.421 0.684 8.259 1.00 31.54 H new ATOM 0 HE3 LYS A 74 38.498 1.509 9.367 1.00 31.54 H new ATOM 0 HZ1 LYS A 74 36.377 2.689 8.895 1.00 72.45 H new ATOM 0 HZ2 LYS A 74 37.764 3.617 8.582 1.00 72.45 H new ATOM 0 HZ3 LYS A 74 36.898 2.923 7.296 1.00 72.45 H new ATOM 1056 N VAL A 75 39.326 -2.046 7.255 1.00 72.00 N ATOM 1057 CA VAL A 75 38.287 -2.727 6.491 1.00 43.22 C ATOM 1058 C VAL A 75 37.000 -1.911 6.466 1.00 75.32 C ATOM 1059 O VAL A 75 36.554 -1.401 7.494 1.00 1.42 O ATOM 1060 CB VAL A 75 37.987 -4.122 7.071 1.00 44.14 C ATOM 1061 CG1 VAL A 75 37.077 -4.904 6.136 1.00 14.05 C ATOM 1062 CG2 VAL A 75 39.280 -4.881 7.327 1.00 65.21 C ATOM 0 H VAL A 75 39.177 -2.048 8.264 1.00 72.00 H new ATOM 0 HA VAL A 75 38.663 -2.838 5.474 1.00 43.22 H new ATOM 0 HB VAL A 75 37.470 -3.998 8.023 1.00 44.14 H new ATOM 0 HG11 VAL A 75 36.876 -5.887 6.562 1.00 14.05 H new ATOM 0 HG12 VAL A 75 36.138 -4.365 6.007 1.00 14.05 H new ATOM 0 HG13 VAL A 75 37.564 -5.021 5.168 1.00 14.05 H new ATOM 0 HG21 VAL A 75 39.050 -5.864 7.737 1.00 65.21 H new ATOM 0 HG22 VAL A 75 39.825 -4.997 6.390 1.00 65.21 H new ATOM 0 HG23 VAL A 75 39.893 -4.326 8.038 1.00 65.21 H new ATOM 1072 N THR A 76 36.403 -1.793 5.283 1.00 4.44 N ATOM 1073 CA THR A 76 35.167 -1.039 5.123 1.00 14.43 C ATOM 1074 C THR A 76 34.237 -1.713 4.121 1.00 21.41 C ATOM 1075 O THR A 76 34.690 -2.387 3.196 1.00 1.20 O ATOM 1076 CB THR A 76 35.444 0.404 4.659 1.00 71.44 C ATOM 1077 OG1 THR A 76 36.720 0.473 4.012 1.00 12.34 O ATOM 1078 CG2 THR A 76 35.413 1.367 5.836 1.00 74.24 C ATOM 0 H THR A 76 36.757 -2.211 4.422 1.00 4.44 H new ATOM 0 HA THR A 76 34.685 -1.012 6.100 1.00 14.43 H new ATOM 0 HB THR A 76 34.664 0.692 3.955 1.00 71.44 H new ATOM 0 HG1 THR A 76 36.889 1.393 3.718 1.00 12.34 H new ATOM 0 HG21 THR A 76 35.611 2.379 5.483 1.00 74.24 H new ATOM 0 HG22 THR A 76 34.431 1.333 6.308 1.00 74.24 H new ATOM 0 HG23 THR A 76 36.174 1.080 6.561 1.00 74.24 H new ATOM 1086 N ALA A 77 32.935 -1.528 4.311 1.00 51.01 N ATOM 1087 CA ALA A 77 31.942 -2.117 3.421 1.00 13.13 C ATOM 1088 C ALA A 77 30.706 -1.229 3.313 1.00 23.54 C ATOM 1089 O ALA A 77 30.367 -0.505 4.249 1.00 30.21 O ATOM 1090 CB ALA A 77 31.555 -3.506 3.908 1.00 43.15 C ATOM 0 H ALA A 77 32.543 -0.975 5.073 1.00 51.01 H new ATOM 0 HA ALA A 77 32.384 -2.202 2.428 1.00 13.13 H new ATOM 0 HB1 ALA A 77 30.813 -3.934 3.234 1.00 43.15 H new ATOM 0 HB2 ALA A 77 32.439 -4.144 3.927 1.00 43.15 H new ATOM 0 HB3 ALA A 77 31.136 -3.436 4.912 1.00 43.15 H new ATOM 1096 N SER A 78 30.038 -1.290 2.166 1.00 31.41 N ATOM 1097 CA SER A 78 28.842 -0.488 1.935 1.00 63.45 C ATOM 1098 C SER A 78 27.864 -1.223 1.023 1.00 51.32 C ATOM 1099 O SER A 78 28.266 -1.862 0.050 1.00 55.53 O ATOM 1100 CB SER A 78 29.219 0.860 1.317 1.00 35.13 C ATOM 1101 OG SER A 78 29.514 0.725 -0.062 1.00 61.40 O ATOM 0 H SER A 78 30.304 -1.886 1.382 1.00 31.41 H new ATOM 0 HA SER A 78 28.357 -0.316 2.896 1.00 63.45 H new ATOM 0 HB2 SER A 78 28.399 1.566 1.449 1.00 35.13 H new ATOM 0 HB3 SER A 78 30.083 1.273 1.838 1.00 35.13 H new ATOM 0 HG SER A 78 29.750 1.601 -0.433 1.00 61.40 H new ATOM 1107 N ILE A 79 26.579 -1.126 1.345 1.00 35.43 N ATOM 1108 CA ILE A 79 25.542 -1.780 0.556 1.00 43.05 C ATOM 1109 C ILE A 79 24.349 -0.855 0.342 1.00 72.33 C ATOM 1110 O ILE A 79 23.659 -0.485 1.291 1.00 43.32 O ATOM 1111 CB ILE A 79 25.058 -3.078 1.227 1.00 34.41 C ATOM 1112 CG1 ILE A 79 23.889 -3.678 0.443 1.00 74.20 C ATOM 1113 CG2 ILE A 79 24.653 -2.810 2.669 1.00 41.11 C ATOM 1114 CD1 ILE A 79 23.447 -5.031 0.957 1.00 41.33 C ATOM 0 H ILE A 79 26.231 -0.601 2.147 1.00 35.43 H new ATOM 0 HA ILE A 79 25.987 -2.024 -0.409 1.00 43.05 H new ATOM 0 HB ILE A 79 25.878 -3.796 1.228 1.00 34.41 H new ATOM 0 HG12 ILE A 79 23.045 -2.990 0.482 1.00 74.20 H new ATOM 0 HG13 ILE A 79 24.175 -3.772 -0.605 1.00 74.20 H new ATOM 0 HG21 ILE A 79 24.313 -3.737 3.130 1.00 41.11 H new ATOM 0 HG22 ILE A 79 25.509 -2.423 3.221 1.00 41.11 H new ATOM 0 HG23 ILE A 79 23.846 -2.077 2.690 1.00 41.11 H new ATOM 0 HD11 ILE A 79 22.615 -5.395 0.354 1.00 41.33 H new ATOM 0 HD12 ILE A 79 24.277 -5.734 0.892 1.00 41.33 H new ATOM 0 HD13 ILE A 79 23.130 -4.940 1.996 1.00 41.33 H new ATOM 1126 N GLY A 80 24.109 -0.487 -0.913 1.00 64.25 N ATOM 1127 CA GLY A 80 22.997 0.390 -1.230 1.00 64.21 C ATOM 1128 C GLY A 80 23.136 1.756 -0.589 1.00 11.32 C ATOM 1129 O GLY A 80 23.769 2.651 -1.148 1.00 73.00 O ATOM 0 H GLY A 80 24.665 -0.781 -1.716 1.00 64.25 H new ATOM 0 HA2 GLY A 80 22.926 0.505 -2.312 1.00 64.21 H new ATOM 0 HA3 GLY A 80 22.068 -0.072 -0.897 1.00 64.21 H new ATOM 1133 N GLY A 81 22.541 1.919 0.589 1.00 74.01 N ATOM 1134 CA GLY A 81 22.611 3.190 1.286 1.00 32.45 C ATOM 1135 C GLY A 81 23.395 3.098 2.581 1.00 74.04 C ATOM 1136 O GLY A 81 24.231 3.954 2.869 1.00 3.21 O ATOM 0 H GLY A 81 22.012 1.194 1.073 1.00 74.01 H new ATOM 0 HA2 GLY A 81 23.074 3.932 0.636 1.00 32.45 H new ATOM 0 HA3 GLY A 81 21.601 3.540 1.500 1.00 32.45 H new ATOM 1140 N ILE A 82 23.123 2.059 3.363 1.00 70.33 N ATOM 1141 CA ILE A 82 23.809 1.860 4.633 1.00 31.53 C ATOM 1142 C ILE A 82 25.192 1.253 4.422 1.00 31.12 C ATOM 1143 O ILE A 82 25.434 0.567 3.430 1.00 71.23 O ATOM 1144 CB ILE A 82 22.999 0.948 5.574 1.00 72.35 C ATOM 1145 CG1 ILE A 82 21.529 1.373 5.590 1.00 20.33 C ATOM 1146 CG2 ILE A 82 23.582 0.983 6.978 1.00 1.22 C ATOM 1147 CD1 ILE A 82 21.315 2.789 6.078 1.00 60.43 C ATOM 0 H ILE A 82 22.433 1.342 3.139 1.00 70.33 H new ATOM 0 HA ILE A 82 23.912 2.843 5.093 1.00 31.53 H new ATOM 0 HB ILE A 82 23.058 -0.075 5.204 1.00 72.35 H new ATOM 0 HG12 ILE A 82 21.121 1.278 4.584 1.00 20.33 H new ATOM 0 HG13 ILE A 82 20.968 0.689 6.227 1.00 20.33 H new ATOM 0 HG21 ILE A 82 22.998 0.334 7.631 1.00 1.22 H new ATOM 0 HG22 ILE A 82 24.615 0.637 6.952 1.00 1.22 H new ATOM 0 HG23 ILE A 82 23.551 2.004 7.360 1.00 1.22 H new ATOM 0 HD11 ILE A 82 20.250 3.022 6.063 1.00 60.43 H new ATOM 0 HD12 ILE A 82 21.693 2.884 7.096 1.00 60.43 H new ATOM 0 HD13 ILE A 82 21.848 3.483 5.427 1.00 60.43 H new ATOM 1159 N GLN A 83 26.095 1.510 5.363 1.00 34.43 N ATOM 1160 CA GLN A 83 27.454 0.987 5.280 1.00 15.45 C ATOM 1161 C GLN A 83 28.059 0.822 6.671 1.00 74.54 C ATOM 1162 O GLN A 83 27.574 1.399 7.643 1.00 52.14 O ATOM 1163 CB GLN A 83 28.329 1.917 4.438 1.00 70.52 C ATOM 1164 CG GLN A 83 28.343 3.354 4.933 1.00 60.23 C ATOM 1165 CD GLN A 83 28.079 4.355 3.825 1.00 32.14 C ATOM 1166 OE1 GLN A 83 28.963 4.659 3.023 1.00 35.44 O ATOM 1167 NE2 GLN A 83 26.858 4.874 3.775 1.00 14.02 N ATOM 0 H GLN A 83 25.910 2.077 6.191 1.00 34.43 H new ATOM 0 HA GLN A 83 27.412 0.008 4.803 1.00 15.45 H new ATOM 0 HB2 GLN A 83 29.350 1.534 4.431 1.00 70.52 H new ATOM 0 HB3 GLN A 83 27.975 1.900 3.407 1.00 70.52 H new ATOM 0 HG2 GLN A 83 27.590 3.473 5.712 1.00 60.23 H new ATOM 0 HG3 GLN A 83 29.310 3.568 5.388 1.00 60.23 H new ATOM 0 HE21 GLN A 83 26.156 4.594 4.460 1.00 14.02 H new ATOM 0 HE22 GLN A 83 26.622 5.553 3.052 1.00 14.02 H new ATOM 1176 N GLY A 84 29.122 0.027 6.757 1.00 13.42 N ATOM 1177 CA GLY A 84 29.775 -0.201 8.033 1.00 42.33 C ATOM 1178 C GLY A 84 31.264 0.082 7.980 1.00 35.03 C ATOM 1179 O GLY A 84 31.852 0.149 6.901 1.00 12.31 O ATOM 0 H GLY A 84 29.542 -0.462 5.967 1.00 13.42 H new ATOM 0 HA2 GLY A 84 29.315 0.432 8.792 1.00 42.33 H new ATOM 0 HA3 GLY A 84 29.615 -1.235 8.340 1.00 42.33 H new ATOM 1183 N SER A 85 31.874 0.250 9.149 1.00 20.50 N ATOM 1184 CA SER A 85 33.302 0.532 9.232 1.00 42.22 C ATOM 1185 C SER A 85 33.915 -0.124 10.465 1.00 23.11 C ATOM 1186 O SER A 85 33.352 -0.068 11.559 1.00 53.13 O ATOM 1187 CB SER A 85 33.543 2.043 9.271 1.00 61.50 C ATOM 1188 OG SER A 85 33.705 2.499 10.603 1.00 62.22 O ATOM 0 H SER A 85 31.402 0.196 10.051 1.00 20.50 H new ATOM 0 HA SER A 85 33.781 0.117 8.345 1.00 42.22 H new ATOM 0 HB2 SER A 85 34.431 2.288 8.689 1.00 61.50 H new ATOM 0 HB3 SER A 85 32.704 2.560 8.806 1.00 61.50 H new ATOM 0 HG SER A 85 33.859 3.467 10.601 1.00 62.22 H new ATOM 1194 N THR A 86 35.075 -0.748 10.281 1.00 10.42 N ATOM 1195 CA THR A 86 35.765 -1.416 11.377 1.00 65.33 C ATOM 1196 C THR A 86 37.271 -1.188 11.299 1.00 74.13 C ATOM 1197 O THR A 86 37.819 -0.963 10.220 1.00 52.33 O ATOM 1198 CB THR A 86 35.487 -2.931 11.375 1.00 34.22 C ATOM 1199 OG1 THR A 86 36.136 -3.550 12.492 1.00 53.14 O ATOM 1200 CG2 THR A 86 35.972 -3.569 10.082 1.00 33.44 C ATOM 0 H THR A 86 35.556 -0.804 9.383 1.00 10.42 H new ATOM 0 HA THR A 86 35.382 -0.984 12.302 1.00 65.33 H new ATOM 0 HB THR A 86 34.410 -3.080 11.453 1.00 34.22 H new ATOM 0 HG1 THR A 86 35.529 -3.554 13.262 1.00 53.14 H new ATOM 0 HG21 THR A 86 35.765 -4.639 10.104 1.00 33.44 H new ATOM 0 HG22 THR A 86 35.454 -3.116 9.236 1.00 33.44 H new ATOM 0 HG23 THR A 86 37.045 -3.409 9.978 1.00 33.44 H new ATOM 1208 N ASP A 87 37.934 -1.249 12.448 1.00 13.42 N ATOM 1209 CA ASP A 87 39.377 -1.050 12.510 1.00 61.33 C ATOM 1210 C ASP A 87 40.072 -2.285 13.075 1.00 32.12 C ATOM 1211 O ASP A 87 39.727 -2.764 14.156 1.00 72.13 O ATOM 1212 CB ASP A 87 39.709 0.174 13.365 1.00 63.52 C ATOM 1213 CG ASP A 87 41.190 0.279 13.675 1.00 74.22 C ATOM 1214 OD1 ASP A 87 42.002 -0.195 12.854 1.00 63.31 O ATOM 1215 OD2 ASP A 87 41.535 0.834 14.739 1.00 44.44 O ATOM 0 H ASP A 87 37.495 -1.435 13.350 1.00 13.42 H new ATOM 0 HA ASP A 87 39.740 -0.883 11.496 1.00 61.33 H new ATOM 0 HB2 ASP A 87 39.385 1.076 12.845 1.00 63.52 H new ATOM 0 HB3 ASP A 87 39.148 0.125 14.298 1.00 63.52 H new ATOM 1220 N PHE A 88 41.051 -2.797 12.337 1.00 5.43 N ATOM 1221 CA PHE A 88 41.793 -3.977 12.764 1.00 24.30 C ATOM 1222 C PHE A 88 43.295 -3.706 12.761 1.00 21.31 C ATOM 1223 O PHE A 88 43.828 -3.105 11.828 1.00 73.42 O ATOM 1224 CB PHE A 88 41.476 -5.163 11.851 1.00 71.04 C ATOM 1225 CG PHE A 88 40.675 -6.240 12.524 1.00 73.53 C ATOM 1226 CD1 PHE A 88 39.563 -5.921 13.287 1.00 61.22 C ATOM 1227 CD2 PHE A 88 41.033 -7.573 12.393 1.00 54.51 C ATOM 1228 CE1 PHE A 88 38.825 -6.911 13.908 1.00 53.32 C ATOM 1229 CE2 PHE A 88 40.298 -8.567 13.011 1.00 13.52 C ATOM 1230 CZ PHE A 88 39.192 -8.235 13.769 1.00 74.01 C ATOM 0 H PHE A 88 41.349 -2.413 11.440 1.00 5.43 H new ATOM 0 HA PHE A 88 41.487 -4.219 13.782 1.00 24.30 H new ATOM 0 HB2 PHE A 88 40.928 -4.804 10.980 1.00 71.04 H new ATOM 0 HB3 PHE A 88 42.410 -5.590 11.486 1.00 71.04 H new ATOM 0 HD1 PHE A 88 39.270 -4.887 13.398 1.00 61.22 H new ATOM 0 HD2 PHE A 88 41.897 -7.838 11.801 1.00 54.51 H new ATOM 0 HE1 PHE A 88 37.962 -6.649 14.502 1.00 53.32 H new ATOM 0 HE2 PHE A 88 40.588 -9.602 12.901 1.00 13.52 H new ATOM 0 HZ PHE A 88 38.615 -9.010 14.252 1.00 74.01 H new ATOM 1240 N LYS A 89 43.973 -4.154 13.813 1.00 51.42 N ATOM 1241 CA LYS A 89 45.413 -3.961 13.934 1.00 62.45 C ATOM 1242 C LYS A 89 46.117 -5.286 14.210 1.00 5.24 C ATOM 1243 O LYS A 89 45.996 -5.849 15.298 1.00 23.32 O ATOM 1244 CB LYS A 89 45.723 -2.963 15.051 1.00 23.34 C ATOM 1245 CG LYS A 89 45.728 -1.516 14.590 1.00 25.03 C ATOM 1246 CD LYS A 89 46.927 -0.760 15.139 1.00 63.43 C ATOM 1247 CE LYS A 89 46.579 0.687 15.452 1.00 74.34 C ATOM 1248 NZ LYS A 89 47.796 1.517 15.663 1.00 42.42 N ATOM 0 H LYS A 89 43.548 -4.653 14.594 1.00 51.42 H new ATOM 0 HA LYS A 89 45.782 -3.563 12.989 1.00 62.45 H new ATOM 0 HB2 LYS A 89 44.986 -3.080 15.846 1.00 23.34 H new ATOM 0 HB3 LYS A 89 46.696 -3.202 15.481 1.00 23.34 H new ATOM 0 HG2 LYS A 89 45.742 -1.480 13.501 1.00 25.03 H new ATOM 0 HG3 LYS A 89 44.809 -1.027 14.913 1.00 25.03 H new ATOM 0 HD2 LYS A 89 47.286 -1.252 16.043 1.00 63.43 H new ATOM 0 HD3 LYS A 89 47.741 -0.791 14.414 1.00 63.43 H new ATOM 0 HE2 LYS A 89 45.992 1.104 14.634 1.00 74.34 H new ATOM 0 HE3 LYS A 89 45.954 0.725 16.344 1.00 74.34 H new ATOM 0 HZ1 LYS A 89 47.516 2.496 15.874 1.00 42.42 H new ATOM 0 HZ2 LYS A 89 48.343 1.134 16.460 1.00 42.42 H new ATOM 0 HZ3 LYS A 89 48.380 1.502 14.803 1.00 42.42 H new ATOM 1262 N VAL A 90 46.855 -5.777 13.220 1.00 60.14 N ATOM 1263 CA VAL A 90 47.581 -7.034 13.358 1.00 41.13 C ATOM 1264 C VAL A 90 49.022 -6.791 13.793 1.00 71.33 C ATOM 1265 O VAL A 90 49.855 -6.347 13.002 1.00 1.10 O ATOM 1266 CB VAL A 90 47.582 -7.830 12.039 1.00 54.42 C ATOM 1267 CG1 VAL A 90 48.380 -9.115 12.191 1.00 31.41 C ATOM 1268 CG2 VAL A 90 46.157 -8.126 11.595 1.00 30.25 C ATOM 0 H VAL A 90 46.966 -5.323 12.313 1.00 60.14 H new ATOM 0 HA VAL A 90 47.066 -7.614 14.123 1.00 41.13 H new ATOM 0 HB VAL A 90 48.060 -7.224 11.269 1.00 54.42 H new ATOM 0 HG11 VAL A 90 48.369 -9.664 11.249 1.00 31.41 H new ATOM 0 HG12 VAL A 90 49.409 -8.875 12.459 1.00 31.41 H new ATOM 0 HG13 VAL A 90 47.935 -9.729 12.974 1.00 31.41 H new ATOM 0 HG21 VAL A 90 46.176 -8.689 10.662 1.00 30.25 H new ATOM 0 HG22 VAL A 90 45.651 -8.712 12.362 1.00 30.25 H new ATOM 0 HG23 VAL A 90 45.621 -7.189 11.443 1.00 30.25 H new ATOM 1278 N THR A 91 49.311 -7.087 15.056 1.00 14.44 N ATOM 1279 CA THR A 91 50.651 -6.900 15.598 1.00 72.21 C ATOM 1280 C THR A 91 51.294 -8.238 15.945 1.00 3.35 C ATOM 1281 O THR A 91 50.626 -9.271 15.964 1.00 23.05 O ATOM 1282 CB THR A 91 50.630 -6.011 16.856 1.00 71.14 C ATOM 1283 OG1 THR A 91 49.853 -6.635 17.884 1.00 63.40 O ATOM 1284 CG2 THR A 91 50.053 -4.640 16.539 1.00 11.43 C ATOM 0 H THR A 91 48.634 -7.458 15.723 1.00 14.44 H new ATOM 0 HA THR A 91 51.239 -6.406 14.824 1.00 72.21 H new ATOM 0 HB THR A 91 51.656 -5.885 17.203 1.00 71.14 H new ATOM 0 HG1 THR A 91 49.846 -6.064 18.681 1.00 63.40 H new ATOM 0 HG21 THR A 91 50.048 -4.030 17.442 1.00 11.43 H new ATOM 0 HG22 THR A 91 50.664 -4.156 15.777 1.00 11.43 H new ATOM 0 HG23 THR A 91 49.033 -4.751 16.170 1.00 11.43 H new ATOM 1292 N GLN A 92 52.594 -8.210 16.220 1.00 4.13 N ATOM 1293 CA GLN A 92 53.327 -9.422 16.567 1.00 2.34 C ATOM 1294 C GLN A 92 53.709 -9.423 18.044 1.00 34.11 C ATOM 1295 O GLN A 92 53.058 -10.072 18.864 1.00 71.33 O ATOM 1296 CB GLN A 92 54.583 -9.548 15.704 1.00 65.31 C ATOM 1297 CG GLN A 92 54.945 -10.985 15.363 1.00 4.12 C ATOM 1298 CD GLN A 92 55.923 -11.591 16.351 1.00 13.43 C ATOM 1299 OE1 GLN A 92 56.039 -11.131 17.488 1.00 63.13 O ATOM 1300 NE2 GLN A 92 56.632 -12.628 15.923 1.00 74.44 N ATOM 0 H GLN A 92 53.161 -7.362 16.209 1.00 4.13 H new ATOM 0 HA GLN A 92 52.677 -10.276 16.378 1.00 2.34 H new ATOM 0 HB2 GLN A 92 54.436 -8.990 14.779 1.00 65.31 H new ATOM 0 HB3 GLN A 92 55.420 -9.085 16.226 1.00 65.31 H new ATOM 0 HG2 GLN A 92 54.038 -11.588 15.339 1.00 4.12 H new ATOM 0 HG3 GLN A 92 55.377 -11.019 14.363 1.00 4.12 H new ATOM 0 HE21 GLN A 92 56.504 -12.976 14.973 1.00 74.44 H new ATOM 0 HE22 GLN A 92 57.305 -13.077 16.544 1.00 74.44 H new