USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=26 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 Single : A 7 SER OG : rot 90:sc= -3.05! 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 141:sc= 0.0273 USER MOD Single : A 14 ASN : amide:sc=-0.00453 K(o=-0.0045,f=-2.8!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.272 X(o=-0.27,f=-0.68) 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= 0.00486 USER MOD Single : A 34 ASN : amide:sc= -0.123 X(o=-0.12,f=-0.12) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.0985 X(o=-0.098,f=-0.054) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 150:sc= -0.572 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 150:sc= -0.702 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 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -2.98 K(o=-3,f=-8.4!) USER MOD Single : A 59 SER OG : rot 180:sc= -0.0131 USER MOD Single : A 61 SER OG : rot 161:sc= 1.39 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.0079) USER MOD Single : A 66 SER OG : rot -52:sc= 0.125 USER MOD Single : A 67 THR OG1 : rot 140:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -2.84 X(o=-2.8,f=-2.5) USER MOD Single : A 70 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.58) USER MOD Single : A 72 ASN : amide:sc=-0.00167 X(o=-0.0017,f=-0.049) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.836 USER MOD Single : A 83 GLN : amide:sc= -0.0706 X(o=-0.071,f=-0.43) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 91:sc= 1.09 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= -0.101 K(o=-0.1,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 71 N VAL A 6 15.623 -0.219 1.559 1.00 73.05 N ATOM 72 CA VAL A 6 15.544 0.796 2.602 1.00 45.52 C ATOM 73 C VAL A 6 16.922 1.095 3.183 1.00 60.23 C ATOM 74 O VAL A 6 17.498 2.153 2.930 1.00 61.35 O ATOM 75 CB VAL A 6 14.603 0.360 3.740 1.00 12.40 C ATOM 76 CG1 VAL A 6 14.558 1.419 4.832 1.00 64.24 C ATOM 77 CG2 VAL A 6 13.209 0.081 3.200 1.00 75.12 C ATOM 0 HA VAL A 6 15.145 1.697 2.137 1.00 45.52 H new ATOM 0 HB VAL A 6 14.991 -0.561 4.176 1.00 12.40 H new ATOM 0 HG11 VAL A 6 13.888 1.093 5.628 1.00 64.24 H new ATOM 0 HG12 VAL A 6 15.559 1.566 5.238 1.00 64.24 H new ATOM 0 HG13 VAL A 6 14.195 2.358 4.414 1.00 64.24 H new ATOM 0 HG21 VAL A 6 12.557 -0.226 4.018 1.00 75.12 H new ATOM 0 HG22 VAL A 6 12.811 0.984 2.737 1.00 75.12 H new ATOM 0 HG23 VAL A 6 13.259 -0.715 2.457 1.00 75.12 H new ATOM 87 N SER A 7 17.445 0.155 3.963 1.00 64.50 N ATOM 88 CA SER A 7 18.755 0.318 4.583 1.00 30.34 C ATOM 89 C SER A 7 19.142 -0.930 5.372 1.00 14.32 C ATOM 90 O SER A 7 18.307 -1.797 5.630 1.00 31.35 O ATOM 91 CB SER A 7 18.758 1.539 5.505 1.00 74.11 C ATOM 92 OG SER A 7 17.437 1.963 5.794 1.00 74.42 O ATOM 0 H SER A 7 16.982 -0.727 4.181 1.00 64.50 H new ATOM 0 HA SER A 7 19.488 0.468 3.791 1.00 30.34 H new ATOM 0 HB2 SER A 7 19.277 1.297 6.433 1.00 74.11 H new ATOM 0 HB3 SER A 7 19.310 2.353 5.034 1.00 74.11 H new ATOM 0 HG SER A 7 17.114 1.503 6.597 1.00 74.42 H new ATOM 98 N ILE A 8 20.412 -1.012 5.752 1.00 44.34 N ATOM 99 CA ILE A 8 20.910 -2.151 6.512 1.00 61.53 C ATOM 100 C ILE A 8 21.643 -1.696 7.769 1.00 62.02 C ATOM 101 O ILE A 8 22.224 -0.611 7.802 1.00 30.25 O ATOM 102 CB ILE A 8 21.858 -3.022 5.665 1.00 13.03 C ATOM 103 CG1 ILE A 8 22.169 -4.331 6.393 1.00 24.23 C ATOM 104 CG2 ILE A 8 23.140 -2.263 5.356 1.00 34.23 C ATOM 105 CD1 ILE A 8 22.987 -5.301 5.569 1.00 11.02 C ATOM 0 H ILE A 8 21.115 -0.303 5.546 1.00 44.34 H new ATOM 0 HA ILE A 8 20.041 -2.744 6.796 1.00 61.53 H new ATOM 0 HB ILE A 8 21.365 -3.261 4.723 1.00 13.03 H new ATOM 0 HG12 ILE A 8 22.706 -4.106 7.314 1.00 24.23 H new ATOM 0 HG13 ILE A 8 21.232 -4.810 6.679 1.00 24.23 H new ATOM 0 HG21 ILE A 8 23.799 -2.891 4.757 1.00 34.23 H new ATOM 0 HG22 ILE A 8 22.901 -1.356 4.801 1.00 34.23 H new ATOM 0 HG23 ILE A 8 23.639 -1.998 6.288 1.00 34.23 H new ATOM 0 HD11 ILE A 8 23.170 -6.206 6.148 1.00 11.02 H new ATOM 0 HD12 ILE A 8 22.442 -5.555 4.660 1.00 11.02 H new ATOM 0 HD13 ILE A 8 23.939 -4.841 5.305 1.00 11.02 H new ATOM 117 N SER A 9 21.614 -2.533 8.801 1.00 75.43 N ATOM 118 CA SER A 9 22.274 -2.216 10.062 1.00 73.34 C ATOM 119 C SER A 9 23.494 -3.107 10.275 1.00 51.10 C ATOM 120 O SER A 9 23.367 -4.310 10.502 1.00 73.21 O ATOM 121 CB SER A 9 21.298 -2.381 11.228 1.00 33.02 C ATOM 122 OG SER A 9 21.980 -2.368 12.470 1.00 64.41 O ATOM 0 H SER A 9 21.140 -3.436 8.789 1.00 75.43 H new ATOM 0 HA SER A 9 22.606 -1.179 10.020 1.00 73.34 H new ATOM 0 HB2 SER A 9 20.561 -1.578 11.206 1.00 33.02 H new ATOM 0 HB3 SER A 9 20.752 -3.318 11.119 1.00 33.02 H new ATOM 0 HG SER A 9 21.334 -2.474 13.199 1.00 64.41 H new ATOM 128 N VAL A 10 24.677 -2.506 10.200 1.00 25.32 N ATOM 129 CA VAL A 10 25.922 -3.243 10.386 1.00 72.21 C ATOM 130 C VAL A 10 26.525 -2.966 11.758 1.00 1.03 C ATOM 131 O VAL A 10 26.606 -1.817 12.191 1.00 5.43 O ATOM 132 CB VAL A 10 26.954 -2.883 9.301 1.00 24.42 C ATOM 133 CG1 VAL A 10 28.221 -3.707 9.475 1.00 22.14 C ATOM 134 CG2 VAL A 10 26.363 -3.087 7.915 1.00 53.24 C ATOM 0 H VAL A 10 24.800 -1.511 10.012 1.00 25.32 H new ATOM 0 HA VAL A 10 25.678 -4.302 10.308 1.00 72.21 H new ATOM 0 HB VAL A 10 27.216 -1.830 9.408 1.00 24.42 H new ATOM 0 HG11 VAL A 10 28.939 -3.439 8.700 1.00 22.14 H new ATOM 0 HG12 VAL A 10 28.654 -3.506 10.455 1.00 22.14 H new ATOM 0 HG13 VAL A 10 27.980 -4.767 9.395 1.00 22.14 H new ATOM 0 HG21 VAL A 10 27.106 -2.828 7.161 1.00 53.24 H new ATOM 0 HG22 VAL A 10 26.072 -4.130 7.794 1.00 53.24 H new ATOM 0 HG23 VAL A 10 25.487 -2.449 7.795 1.00 53.24 H new ATOM 144 N SER A 11 26.947 -4.027 12.438 1.00 24.13 N ATOM 145 CA SER A 11 27.541 -3.899 13.764 1.00 11.21 C ATOM 146 C SER A 11 29.009 -4.315 13.745 1.00 53.43 C ATOM 147 O SER A 11 29.389 -5.368 14.256 1.00 12.03 O ATOM 148 CB SER A 11 26.771 -4.751 14.775 1.00 1.42 C ATOM 149 OG SER A 11 25.551 -4.129 15.142 1.00 64.23 O ATOM 0 H SER A 11 26.889 -4.985 12.093 1.00 24.13 H new ATOM 0 HA SER A 11 27.482 -2.852 14.062 1.00 11.21 H new ATOM 0 HB2 SER A 11 26.568 -5.733 14.348 1.00 1.42 H new ATOM 0 HB3 SER A 11 27.383 -4.910 15.663 1.00 1.42 H new ATOM 0 HG SER A 11 25.077 -4.694 15.787 1.00 64.23 H new ATOM 155 N PRO A 12 29.855 -3.468 13.140 1.00 52.41 N ATOM 156 CA PRO A 12 31.294 -3.724 13.039 1.00 65.21 C ATOM 157 C PRO A 12 31.998 -3.619 14.388 1.00 41.44 C ATOM 158 O PRO A 12 31.526 -2.932 15.294 1.00 2.33 O ATOM 159 CB PRO A 12 31.785 -2.626 12.092 1.00 1.24 C ATOM 160 CG PRO A 12 30.792 -1.526 12.241 1.00 15.23 C ATOM 161 CD PRO A 12 29.471 -2.194 12.509 1.00 41.25 C ATOM 0 HA PRO A 12 31.504 -4.734 12.687 1.00 65.21 H new ATOM 0 HB2 PRO A 12 32.788 -2.293 12.358 1.00 1.24 H new ATOM 0 HB3 PRO A 12 31.830 -2.982 11.063 1.00 1.24 H new ATOM 0 HG2 PRO A 12 31.066 -0.861 13.060 1.00 15.23 H new ATOM 0 HG3 PRO A 12 30.745 -0.917 11.338 1.00 15.23 H new ATOM 0 HD2 PRO A 12 28.843 -1.593 13.167 1.00 41.25 H new ATOM 0 HD3 PRO A 12 28.908 -2.355 11.590 1.00 41.25 H new ATOM 169 N THR A 13 33.131 -4.303 14.514 1.00 32.13 N ATOM 170 CA THR A 13 33.899 -4.287 15.753 1.00 43.35 C ATOM 171 C THR A 13 35.271 -3.656 15.540 1.00 33.02 C ATOM 172 O THR A 13 36.112 -4.203 14.829 1.00 42.13 O ATOM 173 CB THR A 13 34.082 -5.707 16.319 1.00 63.40 C ATOM 174 OG1 THR A 13 33.061 -6.573 15.811 1.00 51.22 O ATOM 175 CG2 THR A 13 34.033 -5.694 17.839 1.00 31.43 C ATOM 0 H THR A 13 33.537 -4.875 13.773 1.00 32.13 H new ATOM 0 HA THR A 13 33.334 -3.690 16.468 1.00 43.35 H new ATOM 0 HB THR A 13 35.059 -6.076 16.006 1.00 63.40 H new ATOM 0 HG1 THR A 13 33.446 -7.452 15.614 1.00 51.22 H new ATOM 0 HG21 THR A 13 34.165 -6.708 18.216 1.00 31.43 H new ATOM 0 HG22 THR A 13 34.830 -5.058 18.223 1.00 31.43 H new ATOM 0 HG23 THR A 13 33.069 -5.307 18.169 1.00 31.43 H new ATOM 183 N ASN A 14 35.489 -2.502 16.163 1.00 61.22 N ATOM 184 CA ASN A 14 36.760 -1.797 16.042 1.00 51.15 C ATOM 185 C ASN A 14 37.692 -2.152 17.196 1.00 34.32 C ATOM 186 O ASN A 14 37.594 -1.583 18.283 1.00 24.55 O ATOM 187 CB ASN A 14 36.527 -0.285 16.007 1.00 74.25 C ATOM 188 CG ASN A 14 35.678 0.196 17.168 1.00 72.15 C ATOM 189 OD1 ASN A 14 34.492 -0.121 17.257 1.00 33.31 O ATOM 190 ND2 ASN A 14 36.284 0.966 18.064 1.00 55.23 N ATOM 0 H ASN A 14 34.803 -2.036 16.756 1.00 61.22 H new ATOM 0 HA ASN A 14 37.231 -2.108 15.109 1.00 51.15 H new ATOM 0 HB2 ASN A 14 37.488 0.229 16.026 1.00 74.25 H new ATOM 0 HB3 ASN A 14 36.041 -0.017 15.069 1.00 74.25 H new ATOM 0 HD21 ASN A 14 35.764 1.320 18.867 1.00 55.23 H new ATOM 0 HD22 ASN A 14 37.269 1.203 17.949 1.00 55.23 H new ATOM 197 N SER A 15 38.595 -3.096 16.952 1.00 73.54 N ATOM 198 CA SER A 15 39.542 -3.530 17.971 1.00 23.54 C ATOM 199 C SER A 15 40.779 -4.155 17.333 1.00 21.31 C ATOM 200 O SER A 15 40.972 -4.080 16.119 1.00 12.20 O ATOM 201 CB SER A 15 38.881 -4.534 18.918 1.00 10.12 C ATOM 202 OG SER A 15 39.221 -4.263 20.267 1.00 65.41 O ATOM 0 H SER A 15 38.690 -3.575 16.057 1.00 73.54 H new ATOM 0 HA SER A 15 39.851 -2.653 18.540 1.00 23.54 H new ATOM 0 HB2 SER A 15 37.798 -4.494 18.797 1.00 10.12 H new ATOM 0 HB3 SER A 15 39.194 -5.545 18.657 1.00 10.12 H new ATOM 0 HG SER A 15 38.785 -4.917 20.852 1.00 65.41 H new ATOM 208 N THR A 16 41.616 -4.773 18.160 1.00 23.45 N ATOM 209 CA THR A 16 42.835 -5.411 17.679 1.00 4.41 C ATOM 210 C THR A 16 42.737 -6.929 17.775 1.00 52.24 C ATOM 211 O THR A 16 41.963 -7.462 18.570 1.00 3.03 O ATOM 212 CB THR A 16 44.068 -4.937 18.472 1.00 11.41 C ATOM 213 OG1 THR A 16 44.054 -5.506 19.786 1.00 70.32 O ATOM 214 CG2 THR A 16 44.096 -3.419 18.572 1.00 1.02 C ATOM 0 H THR A 16 41.472 -4.845 19.167 1.00 23.45 H new ATOM 0 HA THR A 16 42.951 -5.123 16.634 1.00 4.41 H new ATOM 0 HB THR A 16 44.962 -5.267 17.943 1.00 11.41 H new ATOM 0 HG1 THR A 16 44.842 -5.201 20.283 1.00 70.32 H new ATOM 0 HG21 THR A 16 44.975 -3.108 19.136 1.00 1.02 H new ATOM 0 HG22 THR A 16 44.136 -2.989 17.571 1.00 1.02 H new ATOM 0 HG23 THR A 16 43.197 -3.071 19.081 1.00 1.02 H new ATOM 222 N VAL A 17 43.526 -7.621 16.959 1.00 72.01 N ATOM 223 CA VAL A 17 43.529 -9.079 16.953 1.00 34.00 C ATOM 224 C VAL A 17 44.951 -9.626 16.920 1.00 4.33 C ATOM 225 O VAL A 17 45.873 -8.958 16.452 1.00 71.45 O ATOM 226 CB VAL A 17 42.748 -9.637 15.748 1.00 1.10 C ATOM 227 CG1 VAL A 17 43.494 -9.356 14.452 1.00 30.54 C ATOM 228 CG2 VAL A 17 42.501 -11.128 15.918 1.00 35.13 C ATOM 0 H VAL A 17 44.171 -7.195 16.294 1.00 72.01 H new ATOM 0 HA VAL A 17 43.041 -9.400 17.873 1.00 34.00 H new ATOM 0 HB VAL A 17 41.782 -9.135 15.699 1.00 1.10 H new ATOM 0 HG11 VAL A 17 42.927 -9.757 13.612 1.00 30.54 H new ATOM 0 HG12 VAL A 17 43.614 -8.280 14.328 1.00 30.54 H new ATOM 0 HG13 VAL A 17 44.475 -9.829 14.487 1.00 30.54 H new ATOM 0 HG21 VAL A 17 41.948 -11.506 15.058 1.00 35.13 H new ATOM 0 HG22 VAL A 17 43.456 -11.649 15.993 1.00 35.13 H new ATOM 0 HG23 VAL A 17 41.922 -11.300 16.825 1.00 35.13 H new ATOM 238 N ALA A 18 45.123 -10.845 17.421 1.00 14.21 N ATOM 239 CA ALA A 18 46.433 -11.483 17.447 1.00 51.11 C ATOM 240 C ALA A 18 46.889 -11.857 16.041 1.00 61.12 C ATOM 241 O ALA A 18 46.095 -11.863 15.100 1.00 32.40 O ATOM 242 CB ALA A 18 46.402 -12.715 18.339 1.00 4.24 C ATOM 0 H ALA A 18 44.371 -11.410 17.815 1.00 14.21 H new ATOM 0 HA ALA A 18 47.149 -10.770 17.855 1.00 51.11 H new ATOM 0 HB1 ALA A 18 47.387 -13.182 18.349 1.00 4.24 H new ATOM 0 HB2 ALA A 18 46.128 -12.423 19.353 1.00 4.24 H new ATOM 0 HB3 ALA A 18 45.669 -13.424 17.955 1.00 4.24 H new ATOM 248 N LYS A 19 48.174 -12.168 15.904 1.00 74.12 N ATOM 249 CA LYS A 19 48.737 -12.544 14.612 1.00 33.35 C ATOM 250 C LYS A 19 47.918 -13.656 13.965 1.00 74.22 C ATOM 251 O LYS A 19 47.693 -14.706 14.566 1.00 14.53 O ATOM 252 CB LYS A 19 50.189 -12.997 14.779 1.00 41.13 C ATOM 253 CG LYS A 19 50.373 -14.077 15.831 1.00 70.04 C ATOM 254 CD LYS A 19 51.843 -14.381 16.066 1.00 31.25 C ATOM 255 CE LYS A 19 52.134 -15.868 15.927 1.00 12.33 C ATOM 256 NZ LYS A 19 53.556 -16.186 16.235 1.00 14.20 N ATOM 0 H LYS A 19 48.845 -12.167 16.672 1.00 74.12 H new ATOM 0 HA LYS A 19 48.707 -11.670 13.962 1.00 33.35 H new ATOM 0 HB2 LYS A 19 50.557 -13.367 13.822 1.00 41.13 H new ATOM 0 HB3 LYS A 19 50.801 -12.135 15.044 1.00 41.13 H new ATOM 0 HG2 LYS A 19 49.912 -13.758 16.766 1.00 70.04 H new ATOM 0 HG3 LYS A 19 49.859 -14.985 15.516 1.00 70.04 H new ATOM 0 HD2 LYS A 19 52.450 -13.822 15.353 1.00 31.25 H new ATOM 0 HD3 LYS A 19 52.131 -14.044 17.062 1.00 31.25 H new ATOM 0 HE2 LYS A 19 51.483 -16.430 16.597 1.00 12.33 H new ATOM 0 HE3 LYS A 19 51.901 -16.190 14.912 1.00 12.33 H new ATOM 0 HZ1 LYS A 19 53.714 -17.208 16.129 1.00 14.20 H new ATOM 0 HZ2 LYS A 19 54.177 -15.670 15.580 1.00 14.20 H new ATOM 0 HZ3 LYS A 19 53.771 -15.902 17.212 1.00 14.20 H new ATOM 270 N GLY A 20 47.475 -13.419 12.734 1.00 61.04 N ATOM 271 CA GLY A 20 46.687 -14.410 12.025 1.00 62.43 C ATOM 272 C GLY A 20 45.372 -14.709 12.717 1.00 23.10 C ATOM 273 O GLY A 20 45.339 -15.415 13.726 1.00 65.32 O ATOM 0 H GLY A 20 47.648 -12.558 12.215 1.00 61.04 H new ATOM 0 HA2 GLY A 20 46.489 -14.056 11.013 1.00 62.43 H new ATOM 0 HA3 GLY A 20 47.263 -15.331 11.934 1.00 62.43 H new ATOM 277 N LEU A 21 44.285 -14.170 12.177 1.00 42.14 N ATOM 278 CA LEU A 21 42.960 -14.381 12.750 1.00 65.11 C ATOM 279 C LEU A 21 41.879 -13.782 11.857 1.00 73.12 C ATOM 280 O LEU A 21 42.151 -12.899 11.044 1.00 61.21 O ATOM 281 CB LEU A 21 42.884 -13.764 14.147 1.00 14.34 C ATOM 282 CG LEU A 21 42.885 -14.748 15.317 1.00 20.52 C ATOM 283 CD1 LEU A 21 44.096 -14.518 16.208 1.00 42.15 C ATOM 284 CD2 LEU A 21 41.599 -14.624 16.121 1.00 53.03 C ATOM 0 H LEU A 21 44.295 -13.583 11.343 1.00 42.14 H new ATOM 0 HA LEU A 21 42.789 -15.455 12.824 1.00 65.11 H new ATOM 0 HB2 LEU A 21 43.728 -13.085 14.269 1.00 14.34 H new ATOM 0 HB3 LEU A 21 41.978 -13.160 14.207 1.00 14.34 H new ATOM 0 HG LEU A 21 42.942 -15.759 14.914 1.00 20.52 H new ATOM 0 HD11 LEU A 21 44.079 -15.228 17.035 1.00 42.15 H new ATOM 0 HD12 LEU A 21 45.007 -14.659 15.627 1.00 42.15 H new ATOM 0 HD13 LEU A 21 44.071 -13.502 16.601 1.00 42.15 H new ATOM 0 HD21 LEU A 21 41.618 -15.332 16.949 1.00 53.03 H new ATOM 0 HD22 LEU A 21 41.511 -13.610 16.512 1.00 53.03 H new ATOM 0 HD23 LEU A 21 40.746 -14.840 15.478 1.00 53.03 H new ATOM 296 N GLN A 22 40.652 -14.267 12.016 1.00 74.33 N ATOM 297 CA GLN A 22 39.529 -13.778 11.224 1.00 31.34 C ATOM 298 C GLN A 22 38.382 -13.331 12.125 1.00 71.32 C ATOM 299 O GLN A 22 38.125 -13.937 13.165 1.00 44.22 O ATOM 300 CB GLN A 22 39.044 -14.864 10.262 1.00 22.33 C ATOM 301 CG GLN A 22 38.951 -16.242 10.898 1.00 74.24 C ATOM 302 CD GLN A 22 37.759 -17.035 10.399 1.00 71.25 C ATOM 303 OE1 GLN A 22 36.797 -17.261 11.133 1.00 10.14 O ATOM 304 NE2 GLN A 22 37.816 -17.463 9.143 1.00 40.03 N ATOM 0 H GLN A 22 40.410 -14.998 12.685 1.00 74.33 H new ATOM 0 HA GLN A 22 39.871 -12.919 10.647 1.00 31.34 H new ATOM 0 HB2 GLN A 22 38.064 -14.584 9.876 1.00 22.33 H new ATOM 0 HB3 GLN A 22 39.721 -14.911 9.409 1.00 22.33 H new ATOM 0 HG2 GLN A 22 39.865 -16.797 10.689 1.00 74.24 H new ATOM 0 HG3 GLN A 22 38.884 -16.135 11.981 1.00 74.24 H new ATOM 0 HE21 GLN A 22 38.633 -17.253 8.569 1.00 40.03 H new ATOM 0 HE22 GLN A 22 37.043 -18.002 8.752 1.00 40.03 H new ATOM 313 N GLU A 23 37.696 -12.268 11.718 1.00 42.35 N ATOM 314 CA GLU A 23 36.577 -11.740 12.489 1.00 3.32 C ATOM 315 C GLU A 23 35.291 -11.765 11.669 1.00 34.01 C ATOM 316 O GLU A 23 35.215 -11.169 10.596 1.00 53.13 O ATOM 317 CB GLU A 23 36.875 -10.311 12.948 1.00 54.40 C ATOM 318 CG GLU A 23 36.868 -10.142 14.458 1.00 25.41 C ATOM 319 CD GLU A 23 35.487 -10.318 15.059 1.00 4.20 C ATOM 320 OE1 GLU A 23 35.097 -11.475 15.319 1.00 31.31 O ATOM 321 OE2 GLU A 23 34.797 -9.299 15.269 1.00 42.31 O ATOM 0 H GLU A 23 37.895 -11.756 10.859 1.00 42.35 H new ATOM 0 HA GLU A 23 36.441 -12.374 13.365 1.00 3.32 H new ATOM 0 HB2 GLU A 23 37.849 -10.010 12.562 1.00 54.40 H new ATOM 0 HB3 GLU A 23 36.137 -9.637 12.512 1.00 54.40 H new ATOM 0 HG2 GLU A 23 37.549 -10.867 14.904 1.00 25.41 H new ATOM 0 HG3 GLU A 23 37.246 -9.152 14.711 1.00 25.41 H new ATOM 328 N ASN A 24 34.282 -12.460 12.184 1.00 74.55 N ATOM 329 CA ASN A 24 32.998 -12.565 11.499 1.00 60.10 C ATOM 330 C ASN A 24 32.224 -11.254 11.591 1.00 11.30 C ATOM 331 O ASN A 24 32.216 -10.596 12.632 1.00 24.41 O ATOM 332 CB ASN A 24 32.169 -13.703 12.097 1.00 34.05 C ATOM 333 CG ASN A 24 32.118 -13.647 13.612 1.00 25.31 C ATOM 334 OD1 ASN A 24 31.522 -12.740 14.192 1.00 53.35 O ATOM 335 ND2 ASN A 24 32.747 -14.620 14.261 1.00 62.50 N ATOM 0 H ASN A 24 34.328 -12.959 13.073 1.00 74.55 H new ATOM 0 HA ASN A 24 33.191 -12.779 10.448 1.00 60.10 H new ATOM 0 HB2 ASN A 24 31.155 -13.657 11.700 1.00 34.05 H new ATOM 0 HB3 ASN A 24 32.591 -14.659 11.785 1.00 34.05 H new ATOM 0 HD21 ASN A 24 32.748 -14.635 15.281 1.00 62.50 H new ATOM 0 HD22 ASN A 24 33.229 -15.352 13.740 1.00 62.50 H new ATOM 342 N PHE A 25 31.573 -10.879 10.495 1.00 72.22 N ATOM 343 CA PHE A 25 30.795 -9.646 10.451 1.00 24.10 C ATOM 344 C PHE A 25 29.312 -9.930 10.670 1.00 23.22 C ATOM 345 O PHE A 25 28.888 -11.085 10.710 1.00 65.44 O ATOM 346 CB PHE A 25 30.998 -8.938 9.110 1.00 51.11 C ATOM 347 CG PHE A 25 32.386 -8.395 8.922 1.00 32.40 C ATOM 348 CD1 PHE A 25 32.997 -7.657 9.923 1.00 73.12 C ATOM 349 CD2 PHE A 25 33.079 -8.623 7.744 1.00 24.24 C ATOM 350 CE1 PHE A 25 34.274 -7.157 9.753 1.00 11.43 C ATOM 351 CE2 PHE A 25 34.357 -8.126 7.569 1.00 11.24 C ATOM 352 CZ PHE A 25 34.954 -7.391 8.575 1.00 44.55 C ATOM 0 H PHE A 25 31.569 -11.411 9.625 1.00 72.22 H new ATOM 0 HA PHE A 25 31.144 -8.997 11.254 1.00 24.10 H new ATOM 0 HB2 PHE A 25 30.777 -9.636 8.303 1.00 51.11 H new ATOM 0 HB3 PHE A 25 30.282 -8.120 9.028 1.00 51.11 H new ATOM 0 HD1 PHE A 25 32.469 -7.470 10.847 1.00 73.12 H new ATOM 0 HD2 PHE A 25 32.616 -9.195 6.954 1.00 24.24 H new ATOM 0 HE1 PHE A 25 34.739 -6.584 10.541 1.00 11.43 H new ATOM 0 HE2 PHE A 25 34.888 -8.312 6.647 1.00 11.24 H new ATOM 0 HZ PHE A 25 35.952 -7.000 8.440 1.00 44.55 H new ATOM 362 N LYS A 26 28.527 -8.868 10.813 1.00 4.40 N ATOM 363 CA LYS A 26 27.091 -9.000 11.028 1.00 43.23 C ATOM 364 C LYS A 26 26.332 -7.873 10.335 1.00 74.45 C ATOM 365 O LYS A 26 26.649 -6.698 10.512 1.00 55.43 O ATOM 366 CB LYS A 26 26.776 -8.996 12.525 1.00 2.23 C ATOM 367 CG LYS A 26 26.969 -10.347 13.191 1.00 30.30 C ATOM 368 CD LYS A 26 26.459 -10.342 14.622 1.00 10.44 C ATOM 369 CE LYS A 26 26.391 -11.749 15.195 1.00 10.14 C ATOM 370 NZ LYS A 26 25.091 -12.009 15.874 1.00 24.05 N ATOM 0 H LYS A 26 28.862 -7.905 10.784 1.00 4.40 H new ATOM 0 HA LYS A 26 26.770 -9.949 10.598 1.00 43.23 H new ATOM 0 HB2 LYS A 26 27.413 -8.262 13.020 1.00 2.23 H new ATOM 0 HB3 LYS A 26 25.745 -8.673 12.670 1.00 2.23 H new ATOM 0 HG2 LYS A 26 26.445 -11.113 12.620 1.00 30.30 H new ATOM 0 HG3 LYS A 26 28.027 -10.610 13.182 1.00 30.30 H new ATOM 0 HD2 LYS A 26 27.113 -9.728 15.240 1.00 10.44 H new ATOM 0 HD3 LYS A 26 25.469 -9.886 14.655 1.00 10.44 H new ATOM 0 HE2 LYS A 26 26.534 -12.475 14.394 1.00 10.14 H new ATOM 0 HE3 LYS A 26 27.206 -11.892 15.904 1.00 10.14 H new ATOM 0 HZ1 LYS A 26 25.084 -12.978 16.251 1.00 24.05 H new ATOM 0 HZ2 LYS A 26 24.966 -11.333 16.654 1.00 24.05 H new ATOM 0 HZ3 LYS A 26 24.314 -11.897 15.191 1.00 24.05 H new ATOM 384 N ALA A 27 25.327 -8.241 9.546 1.00 31.01 N ATOM 385 CA ALA A 27 24.520 -7.261 8.830 1.00 61.14 C ATOM 386 C ALA A 27 23.041 -7.627 8.878 1.00 74.20 C ATOM 387 O ALA A 27 22.653 -8.741 8.522 1.00 3.21 O ATOM 388 CB ALA A 27 24.990 -7.144 7.387 1.00 11.11 C ATOM 0 H ALA A 27 25.053 -9.210 9.387 1.00 31.01 H new ATOM 0 HA ALA A 27 24.644 -6.296 9.321 1.00 61.14 H new ATOM 0 HB1 ALA A 27 24.379 -6.409 6.864 1.00 11.11 H new ATOM 0 HB2 ALA A 27 26.033 -6.828 7.369 1.00 11.11 H new ATOM 0 HB3 ALA A 27 24.895 -8.111 6.894 1.00 11.11 H new ATOM 394 N THR A 28 22.216 -6.683 9.321 1.00 21.14 N ATOM 395 CA THR A 28 20.779 -6.907 9.418 1.00 23.13 C ATOM 396 C THR A 28 20.012 -5.953 8.511 1.00 53.32 C ATOM 397 O THR A 28 19.854 -4.774 8.825 1.00 43.42 O ATOM 398 CB THR A 28 20.280 -6.735 10.865 1.00 1.53 C ATOM 399 OG1 THR A 28 21.371 -6.374 11.720 1.00 11.11 O ATOM 400 CG2 THR A 28 19.635 -8.016 11.371 1.00 14.44 C ATOM 0 H THR A 28 22.519 -5.756 9.618 1.00 21.14 H new ATOM 0 HA THR A 28 20.597 -7.933 9.099 1.00 23.13 H new ATOM 0 HB THR A 28 19.532 -5.942 10.876 1.00 1.53 H new ATOM 0 HG1 THR A 28 21.045 -6.265 12.638 1.00 11.11 H new ATOM 0 HG21 THR A 28 19.290 -7.870 12.395 1.00 14.44 H new ATOM 0 HG22 THR A 28 18.787 -8.272 10.736 1.00 14.44 H new ATOM 0 HG23 THR A 28 20.365 -8.825 11.346 1.00 14.44 H new ATOM 408 N GLY A 29 19.534 -6.471 7.383 1.00 45.31 N ATOM 409 CA GLY A 29 18.788 -5.650 6.447 1.00 21.12 C ATOM 410 C GLY A 29 17.314 -5.574 6.791 1.00 73.33 C ATOM 411 O GLY A 29 16.684 -6.592 7.078 1.00 34.44 O ATOM 0 H GLY A 29 19.650 -7.444 7.101 1.00 45.31 H new ATOM 0 HA2 GLY A 29 19.208 -4.644 6.436 1.00 21.12 H new ATOM 0 HA3 GLY A 29 18.903 -6.055 5.441 1.00 21.12 H new ATOM 415 N ILE A 30 16.763 -4.366 6.763 1.00 53.55 N ATOM 416 CA ILE A 30 15.353 -4.161 7.074 1.00 25.40 C ATOM 417 C ILE A 30 14.650 -3.393 5.960 1.00 20.05 C ATOM 418 O ILE A 30 14.884 -2.199 5.772 1.00 14.00 O ATOM 419 CB ILE A 30 15.175 -3.399 8.400 1.00 33.54 C ATOM 420 CG1 ILE A 30 15.885 -4.137 9.537 1.00 33.34 C ATOM 421 CG2 ILE A 30 13.697 -3.225 8.716 1.00 34.52 C ATOM 422 CD1 ILE A 30 16.846 -3.266 10.316 1.00 73.33 C ATOM 0 H ILE A 30 17.271 -3.513 6.528 1.00 53.55 H new ATOM 0 HA ILE A 30 14.904 -5.149 7.169 1.00 25.40 H new ATOM 0 HB ILE A 30 15.624 -2.411 8.297 1.00 33.54 H new ATOM 0 HG12 ILE A 30 15.137 -4.540 10.220 1.00 33.34 H new ATOM 0 HG13 ILE A 30 16.430 -4.986 9.124 1.00 33.34 H new ATOM 0 HG21 ILE A 30 13.587 -2.685 9.656 1.00 34.52 H new ATOM 0 HG22 ILE A 30 13.218 -2.662 7.915 1.00 34.52 H new ATOM 0 HG23 ILE A 30 13.226 -4.204 8.803 1.00 34.52 H new ATOM 0 HD11 ILE A 30 17.313 -3.855 11.106 1.00 73.33 H new ATOM 0 HD12 ILE A 30 17.616 -2.883 9.646 1.00 73.33 H new ATOM 0 HD13 ILE A 30 16.303 -2.431 10.759 1.00 73.33 H new ATOM 434 N PHE A 31 13.786 -4.085 5.226 1.00 71.42 N ATOM 435 CA PHE A 31 13.047 -3.468 4.131 1.00 73.33 C ATOM 436 C PHE A 31 11.553 -3.423 4.440 1.00 61.41 C ATOM 437 O PHE A 31 11.010 -4.329 5.074 1.00 64.34 O ATOM 438 CB PHE A 31 13.287 -4.236 2.829 1.00 53.41 C ATOM 439 CG PHE A 31 14.740 -4.461 2.525 1.00 42.30 C ATOM 440 CD1 PHE A 31 15.658 -3.432 2.664 1.00 20.12 C ATOM 441 CD2 PHE A 31 15.189 -5.701 2.101 1.00 50.03 C ATOM 442 CE1 PHE A 31 16.996 -3.636 2.384 1.00 30.44 C ATOM 443 CE2 PHE A 31 16.526 -5.911 1.820 1.00 71.42 C ATOM 444 CZ PHE A 31 17.431 -4.878 1.963 1.00 53.11 C ATOM 0 H PHE A 31 13.580 -5.074 5.369 1.00 71.42 H new ATOM 0 HA PHE A 31 13.407 -2.446 4.014 1.00 73.33 H new ATOM 0 HB2 PHE A 31 12.783 -5.201 2.887 1.00 53.41 H new ATOM 0 HB3 PHE A 31 12.832 -3.688 2.004 1.00 53.41 H new ATOM 0 HD1 PHE A 31 15.324 -2.460 2.995 1.00 20.12 H new ATOM 0 HD2 PHE A 31 14.486 -6.513 1.989 1.00 50.03 H new ATOM 0 HE1 PHE A 31 17.701 -2.825 2.494 1.00 30.44 H new ATOM 0 HE2 PHE A 31 16.863 -6.882 1.489 1.00 71.42 H new ATOM 0 HZ PHE A 31 18.476 -5.040 1.746 1.00 53.11 H new ATOM 454 N THR A 32 10.893 -2.362 3.988 1.00 12.42 N ATOM 455 CA THR A 32 9.463 -2.196 4.217 1.00 21.22 C ATOM 456 C THR A 32 8.659 -3.241 3.451 1.00 2.34 C ATOM 457 O THR A 32 7.482 -3.463 3.736 1.00 62.13 O ATOM 458 CB THR A 32 8.986 -0.792 3.802 1.00 43.25 C ATOM 459 OG1 THR A 32 10.000 0.176 4.093 1.00 5.10 O ATOM 460 CG2 THR A 32 7.701 -0.420 4.525 1.00 32.53 C ATOM 0 H THR A 32 11.326 -1.604 3.461 1.00 12.42 H new ATOM 0 HA THR A 32 9.297 -2.326 5.286 1.00 21.22 H new ATOM 0 HB THR A 32 8.790 -0.802 2.730 1.00 43.25 H new ATOM 0 HG1 THR A 32 9.689 1.066 3.825 1.00 5.10 H new ATOM 0 HG21 THR A 32 7.384 0.576 4.215 1.00 32.53 H new ATOM 0 HG22 THR A 32 6.922 -1.142 4.278 1.00 32.53 H new ATOM 0 HG23 THR A 32 7.874 -0.427 5.601 1.00 32.53 H new ATOM 468 N ASP A 33 9.302 -3.879 2.480 1.00 73.32 N ATOM 469 CA ASP A 33 8.646 -4.903 1.674 1.00 44.34 C ATOM 470 C ASP A 33 8.631 -6.242 2.404 1.00 75.13 C ATOM 471 O ASP A 33 8.115 -7.234 1.890 1.00 44.02 O ATOM 472 CB ASP A 33 9.354 -5.051 0.326 1.00 53.23 C ATOM 473 CG ASP A 33 8.400 -5.430 -0.790 1.00 51.31 C ATOM 474 OD1 ASP A 33 8.184 -6.642 -1.001 1.00 11.24 O ATOM 475 OD2 ASP A 33 7.869 -4.514 -1.452 1.00 74.24 O ATOM 0 H ASP A 33 10.276 -3.706 2.231 1.00 73.32 H new ATOM 0 HA ASP A 33 7.616 -4.592 1.503 1.00 44.34 H new ATOM 0 HB2 ASP A 33 9.849 -4.113 0.074 1.00 53.23 H new ATOM 0 HB3 ASP A 33 10.132 -5.810 0.409 1.00 53.23 H new ATOM 480 N ASN A 34 9.200 -6.262 3.605 1.00 74.43 N ATOM 481 CA ASN A 34 9.252 -7.480 4.405 1.00 63.51 C ATOM 482 C ASN A 34 9.934 -8.608 3.635 1.00 11.23 C ATOM 483 O ASN A 34 9.684 -9.786 3.889 1.00 73.11 O ATOM 484 CB ASN A 34 7.841 -7.908 4.815 1.00 45.23 C ATOM 485 CG ASN A 34 6.941 -6.723 5.110 1.00 65.52 C ATOM 486 OD1 ASN A 34 7.161 -5.988 6.072 1.00 13.31 O ATOM 487 ND2 ASN A 34 5.922 -6.534 4.280 1.00 33.55 N ATOM 0 H ASN A 34 9.631 -5.449 4.045 1.00 74.43 H new ATOM 0 HA ASN A 34 9.835 -7.271 5.302 1.00 63.51 H new ATOM 0 HB2 ASN A 34 7.400 -8.507 4.018 1.00 45.23 H new ATOM 0 HB3 ASN A 34 7.899 -8.545 5.697 1.00 45.23 H new ATOM 0 HD21 ASN A 34 5.282 -5.753 4.427 1.00 33.55 H new ATOM 0 HD22 ASN A 34 5.779 -7.170 3.495 1.00 33.55 H new ATOM 494 N SER A 35 10.797 -8.237 2.695 1.00 73.55 N ATOM 495 CA SER A 35 11.512 -9.217 1.885 1.00 4.04 C ATOM 496 C SER A 35 13.010 -8.923 1.875 1.00 75.20 C ATOM 497 O SER A 35 13.528 -8.319 0.937 1.00 11.12 O ATOM 498 CB SER A 35 10.972 -9.220 0.454 1.00 31.31 C ATOM 499 OG SER A 35 9.830 -10.052 0.342 1.00 0.01 O ATOM 0 H SER A 35 11.018 -7.266 2.475 1.00 73.55 H new ATOM 0 HA SER A 35 11.355 -10.201 2.326 1.00 4.04 H new ATOM 0 HB2 SER A 35 10.716 -8.203 0.156 1.00 31.31 H new ATOM 0 HB3 SER A 35 11.747 -9.567 -0.230 1.00 31.31 H new ATOM 0 HG SER A 35 9.503 -10.036 -0.582 1.00 0.01 H new ATOM 505 N ASN A 36 13.698 -9.356 2.926 1.00 3.01 N ATOM 506 CA ASN A 36 15.136 -9.139 3.039 1.00 21.55 C ATOM 507 C ASN A 36 15.911 -10.336 2.496 1.00 31.23 C ATOM 508 O ASN A 36 15.491 -11.483 2.651 1.00 11.13 O ATOM 509 CB ASN A 36 15.521 -8.888 4.499 1.00 45.24 C ATOM 510 CG ASN A 36 15.417 -10.140 5.348 1.00 5.32 C ATOM 511 OD1 ASN A 36 14.346 -10.472 5.856 1.00 41.43 O ATOM 512 ND2 ASN A 36 16.534 -10.841 5.507 1.00 32.10 N ATOM 0 H ASN A 36 13.284 -9.859 3.711 1.00 3.01 H new ATOM 0 HA ASN A 36 15.394 -8.262 2.446 1.00 21.55 H new ATOM 0 HB2 ASN A 36 16.541 -8.507 4.542 1.00 45.24 H new ATOM 0 HB3 ASN A 36 14.874 -8.116 4.915 1.00 45.24 H new ATOM 0 HD21 ASN A 36 16.526 -11.692 6.069 1.00 32.10 H new ATOM 0 HD22 ASN A 36 17.399 -10.528 5.067 1.00 32.10 H new ATOM 519 N SER A 37 17.045 -10.061 1.860 1.00 53.34 N ATOM 520 CA SER A 37 17.877 -11.114 1.290 1.00 3.05 C ATOM 521 C SER A 37 19.344 -10.905 1.656 1.00 14.33 C ATOM 522 O SER A 37 19.739 -9.821 2.085 1.00 2.33 O ATOM 523 CB SER A 37 17.720 -11.152 -0.231 1.00 12.42 C ATOM 524 OG SER A 37 16.897 -12.233 -0.632 1.00 33.33 O ATOM 0 H SER A 37 17.409 -9.118 1.726 1.00 53.34 H new ATOM 0 HA SER A 37 17.548 -12.067 1.705 1.00 3.05 H new ATOM 0 HB2 SER A 37 17.288 -10.214 -0.579 1.00 12.42 H new ATOM 0 HB3 SER A 37 18.700 -11.244 -0.699 1.00 12.42 H new ATOM 0 HG SER A 37 16.811 -12.234 -1.608 1.00 33.33 H new ATOM 530 N ASP A 38 20.145 -11.950 1.484 1.00 73.25 N ATOM 531 CA ASP A 38 21.568 -11.882 1.794 1.00 31.50 C ATOM 532 C ASP A 38 22.317 -11.079 0.736 1.00 64.34 C ATOM 533 O ASP A 38 22.487 -11.533 -0.397 1.00 4.34 O ATOM 534 CB ASP A 38 22.157 -13.290 1.896 1.00 61.32 C ATOM 535 CG ASP A 38 21.748 -14.174 0.734 1.00 32.53 C ATOM 536 OD1 ASP A 38 20.628 -14.726 0.775 1.00 43.12 O ATOM 537 OD2 ASP A 38 22.547 -14.316 -0.215 1.00 4.31 O ATOM 0 H ASP A 38 19.833 -12.855 1.131 1.00 73.25 H new ATOM 0 HA ASP A 38 21.682 -11.378 2.754 1.00 31.50 H new ATOM 0 HB2 ASP A 38 23.244 -13.224 1.933 1.00 61.32 H new ATOM 0 HB3 ASP A 38 21.833 -13.749 2.830 1.00 61.32 H new ATOM 542 N ILE A 39 22.762 -9.885 1.111 1.00 10.14 N ATOM 543 CA ILE A 39 23.493 -9.019 0.194 1.00 31.15 C ATOM 544 C ILE A 39 22.955 -9.145 -1.227 1.00 13.42 C ATOM 545 O ILE A 39 23.716 -9.328 -2.177 1.00 51.05 O ATOM 546 CB ILE A 39 24.998 -9.345 0.192 1.00 2.30 C ATOM 547 CG1 ILE A 39 25.224 -10.815 -0.165 1.00 75.40 C ATOM 548 CG2 ILE A 39 25.612 -9.023 1.546 1.00 11.24 C ATOM 549 CD1 ILE A 39 26.666 -11.147 -0.480 1.00 15.34 C ATOM 0 H ILE A 39 22.629 -9.495 2.044 1.00 10.14 H new ATOM 0 HA ILE A 39 23.351 -7.997 0.544 1.00 31.15 H new ATOM 0 HB ILE A 39 25.486 -8.728 -0.563 1.00 2.30 H new ATOM 0 HG12 ILE A 39 24.890 -11.437 0.665 1.00 75.40 H new ATOM 0 HG13 ILE A 39 24.605 -11.071 -1.025 1.00 75.40 H new ATOM 0 HG21 ILE A 39 26.676 -9.259 1.528 1.00 11.24 H new ATOM 0 HG22 ILE A 39 25.479 -7.963 1.763 1.00 11.24 H new ATOM 0 HG23 ILE A 39 25.122 -9.616 2.318 1.00 11.24 H new ATOM 0 HD11 ILE A 39 26.751 -12.206 -0.724 1.00 15.34 H new ATOM 0 HD12 ILE A 39 26.999 -10.551 -1.330 1.00 15.34 H new ATOM 0 HD13 ILE A 39 27.288 -10.923 0.386 1.00 15.34 H new ATOM 561 N THR A 40 21.636 -9.043 -1.366 1.00 5.01 N ATOM 562 CA THR A 40 20.995 -9.144 -2.671 1.00 25.22 C ATOM 563 C THR A 40 21.532 -8.088 -3.630 1.00 60.34 C ATOM 564 O THR A 40 21.571 -8.300 -4.843 1.00 2.15 O ATOM 565 CB THR A 40 19.467 -8.991 -2.559 1.00 52.13 C ATOM 566 OG1 THR A 40 19.093 -8.789 -1.192 1.00 22.43 O ATOM 567 CG2 THR A 40 18.758 -10.220 -3.108 1.00 62.10 C ATOM 0 H THR A 40 20.991 -8.891 -0.590 1.00 5.01 H new ATOM 0 HA THR A 40 21.225 -10.135 -3.061 1.00 25.22 H new ATOM 0 HB THR A 40 19.167 -8.125 -3.149 1.00 52.13 H new ATOM 0 HG1 THR A 40 18.281 -8.241 -1.152 1.00 22.43 H new ATOM 0 HG21 THR A 40 17.680 -10.089 -3.018 1.00 62.10 H new ATOM 0 HG22 THR A 40 19.021 -10.353 -4.157 1.00 62.10 H new ATOM 0 HG23 THR A 40 19.065 -11.100 -2.542 1.00 62.10 H new ATOM 575 N ASP A 41 21.945 -6.952 -3.081 1.00 0.42 N ATOM 576 CA ASP A 41 22.482 -5.862 -3.889 1.00 35.44 C ATOM 577 C ASP A 41 23.981 -6.037 -4.110 1.00 32.34 C ATOM 578 O ASP A 41 24.640 -5.164 -4.673 1.00 21.11 O ATOM 579 CB ASP A 41 22.206 -4.517 -3.216 1.00 2.40 C ATOM 580 CG ASP A 41 21.263 -3.647 -4.025 1.00 23.44 C ATOM 581 OD1 ASP A 41 20.191 -4.148 -4.423 1.00 40.44 O ATOM 582 OD2 ASP A 41 21.598 -2.467 -4.259 1.00 61.25 O ATOM 0 H ASP A 41 21.919 -6.761 -2.079 1.00 0.42 H new ATOM 0 HA ASP A 41 21.986 -5.882 -4.859 1.00 35.44 H new ATOM 0 HB2 ASP A 41 21.779 -4.689 -2.228 1.00 2.40 H new ATOM 0 HB3 ASP A 41 23.147 -3.988 -3.069 1.00 2.40 H new ATOM 587 N GLN A 42 24.512 -7.170 -3.661 1.00 73.23 N ATOM 588 CA GLN A 42 25.933 -7.458 -3.809 1.00 5.01 C ATOM 589 C GLN A 42 26.776 -6.459 -3.022 1.00 54.12 C ATOM 590 O GLN A 42 27.010 -5.338 -3.473 1.00 52.32 O ATOM 591 CB GLN A 42 26.331 -7.427 -5.286 1.00 1.24 C ATOM 592 CG GLN A 42 27.330 -8.506 -5.670 1.00 5.05 C ATOM 593 CD GLN A 42 27.034 -9.122 -7.023 1.00 14.33 C ATOM 594 OE1 GLN A 42 27.570 -8.692 -8.044 1.00 62.03 O ATOM 595 NE2 GLN A 42 26.175 -10.134 -7.037 1.00 31.50 N ATOM 0 H GLN A 42 23.979 -7.903 -3.192 1.00 73.23 H new ATOM 0 HA GLN A 42 26.119 -8.456 -3.411 1.00 5.01 H new ATOM 0 HB2 GLN A 42 25.435 -7.539 -5.897 1.00 1.24 H new ATOM 0 HB3 GLN A 42 26.756 -6.451 -5.519 1.00 1.24 H new ATOM 0 HG2 GLN A 42 28.333 -8.079 -5.681 1.00 5.05 H new ATOM 0 HG3 GLN A 42 27.324 -9.288 -4.910 1.00 5.05 H new ATOM 0 HE21 GLN A 42 25.754 -10.458 -6.166 1.00 31.50 H new ATOM 0 HE22 GLN A 42 25.936 -10.588 -7.919 1.00 31.50 H new ATOM 604 N VAL A 43 27.228 -6.873 -1.843 1.00 22.10 N ATOM 605 CA VAL A 43 28.045 -6.015 -0.993 1.00 41.23 C ATOM 606 C VAL A 43 29.508 -6.051 -1.420 1.00 62.04 C ATOM 607 O VAL A 43 30.044 -7.109 -1.752 1.00 43.12 O ATOM 608 CB VAL A 43 27.943 -6.429 0.487 1.00 63.54 C ATOM 609 CG1 VAL A 43 28.597 -7.785 0.708 1.00 41.03 C ATOM 610 CG2 VAL A 43 28.574 -5.372 1.380 1.00 33.12 C ATOM 0 H VAL A 43 27.042 -7.798 -1.454 1.00 22.10 H new ATOM 0 HA VAL A 43 27.661 -5.001 -1.106 1.00 41.23 H new ATOM 0 HB VAL A 43 26.889 -6.513 0.751 1.00 63.54 H new ATOM 0 HG11 VAL A 43 28.515 -8.061 1.759 1.00 41.03 H new ATOM 0 HG12 VAL A 43 28.096 -8.535 0.096 1.00 41.03 H new ATOM 0 HG13 VAL A 43 29.649 -7.732 0.428 1.00 41.03 H new ATOM 0 HG21 VAL A 43 28.493 -5.681 2.422 1.00 33.12 H new ATOM 0 HG22 VAL A 43 29.625 -5.254 1.117 1.00 33.12 H new ATOM 0 HG23 VAL A 43 28.057 -4.423 1.242 1.00 33.12 H new ATOM 620 N THR A 44 30.151 -4.887 -1.410 1.00 22.44 N ATOM 621 CA THR A 44 31.553 -4.785 -1.796 1.00 54.03 C ATOM 622 C THR A 44 32.465 -4.837 -0.576 1.00 71.52 C ATOM 623 O THR A 44 32.301 -4.063 0.366 1.00 2.05 O ATOM 624 CB THR A 44 31.827 -3.483 -2.573 1.00 24.40 C ATOM 625 OG1 THR A 44 30.732 -3.195 -3.449 1.00 62.44 O ATOM 626 CG2 THR A 44 33.113 -3.595 -3.379 1.00 74.30 C ATOM 0 H THR A 44 29.723 -4.002 -1.139 1.00 22.44 H new ATOM 0 HA THR A 44 31.766 -5.637 -2.441 1.00 54.03 H new ATOM 0 HB THR A 44 31.937 -2.672 -1.853 1.00 24.40 H new ATOM 0 HG1 THR A 44 30.914 -2.365 -3.938 1.00 62.44 H new ATOM 0 HG21 THR A 44 33.286 -2.664 -3.919 1.00 74.30 H new ATOM 0 HG22 THR A 44 33.949 -3.785 -2.706 1.00 74.30 H new ATOM 0 HG23 THR A 44 33.026 -4.417 -4.090 1.00 74.30 H new ATOM 634 N TRP A 45 33.425 -5.754 -0.601 1.00 24.21 N ATOM 635 CA TRP A 45 34.365 -5.907 0.504 1.00 11.44 C ATOM 636 C TRP A 45 35.775 -5.514 0.078 1.00 22.31 C ATOM 637 O TRP A 45 36.174 -5.740 -1.065 1.00 35.13 O ATOM 638 CB TRP A 45 34.355 -7.349 1.014 1.00 42.23 C ATOM 639 CG TRP A 45 34.173 -8.362 -0.075 1.00 70.24 C ATOM 640 CD1 TRP A 45 33.015 -9.002 -0.414 1.00 51.45 C ATOM 641 CD2 TRP A 45 35.180 -8.853 -0.966 1.00 65.42 C ATOM 642 NE1 TRP A 45 33.242 -9.861 -1.462 1.00 52.04 N ATOM 643 CE2 TRP A 45 34.562 -9.788 -1.820 1.00 1.12 C ATOM 644 CE3 TRP A 45 36.544 -8.593 -1.127 1.00 70.44 C ATOM 645 CZ2 TRP A 45 35.262 -10.462 -2.817 1.00 1.01 C ATOM 646 CZ3 TRP A 45 37.237 -9.264 -2.117 1.00 44.52 C ATOM 647 CH2 TRP A 45 36.596 -10.188 -2.952 1.00 60.11 C ATOM 0 H TRP A 45 33.573 -6.403 -1.374 1.00 24.21 H new ATOM 0 HA TRP A 45 34.051 -5.243 1.309 1.00 11.44 H new ATOM 0 HB2 TRP A 45 35.292 -7.549 1.534 1.00 42.23 H new ATOM 0 HB3 TRP A 45 33.554 -7.463 1.744 1.00 42.23 H new ATOM 0 HD1 TRP A 45 32.061 -8.855 0.071 1.00 51.45 H new ATOM 0 HE1 TRP A 45 32.541 -10.457 -1.902 1.00 52.04 H new ATOM 0 HE3 TRP A 45 37.047 -7.881 -0.490 1.00 70.44 H new ATOM 0 HZ2 TRP A 45 34.770 -11.176 -3.461 1.00 1.01 H new ATOM 0 HZ3 TRP A 45 38.292 -9.072 -2.249 1.00 44.52 H new ATOM 0 HH2 TRP A 45 37.166 -10.694 -3.717 1.00 60.11 H new ATOM 658 N ASP A 46 36.526 -4.926 1.003 1.00 61.51 N ATOM 659 CA ASP A 46 37.893 -4.504 0.723 1.00 44.05 C ATOM 660 C ASP A 46 38.735 -4.508 1.995 1.00 62.33 C ATOM 661 O ASP A 46 38.239 -4.206 3.080 1.00 44.40 O ATOM 662 CB ASP A 46 37.900 -3.109 0.096 1.00 4.32 C ATOM 663 CG ASP A 46 38.481 -3.106 -1.304 1.00 42.42 C ATOM 664 OD1 ASP A 46 39.485 -3.812 -1.531 1.00 64.11 O ATOM 665 OD2 ASP A 46 37.932 -2.396 -2.173 1.00 41.11 O ATOM 0 H ASP A 46 36.211 -4.731 1.953 1.00 61.51 H new ATOM 0 HA ASP A 46 38.329 -5.213 0.019 1.00 44.05 H new ATOM 0 HB2 ASP A 46 36.881 -2.723 0.064 1.00 4.32 H new ATOM 0 HB3 ASP A 46 38.477 -2.433 0.727 1.00 4.32 H new ATOM 670 N SER A 47 40.011 -4.854 1.853 1.00 33.51 N ATOM 671 CA SER A 47 40.920 -4.903 2.992 1.00 64.13 C ATOM 672 C SER A 47 42.167 -4.065 2.727 1.00 43.21 C ATOM 673 O SER A 47 42.598 -3.917 1.583 1.00 11.33 O ATOM 674 CB SER A 47 41.319 -6.349 3.292 1.00 72.42 C ATOM 675 OG SER A 47 42.239 -6.412 4.367 1.00 24.22 O ATOM 0 H SER A 47 40.438 -5.104 0.961 1.00 33.51 H new ATOM 0 HA SER A 47 40.401 -4.490 3.857 1.00 64.13 H new ATOM 0 HB2 SER A 47 40.430 -6.932 3.535 1.00 72.42 H new ATOM 0 HB3 SER A 47 41.762 -6.799 2.404 1.00 72.42 H new ATOM 0 HG SER A 47 42.122 -7.258 4.848 1.00 24.22 H new ATOM 681 N SER A 48 42.743 -3.518 3.793 1.00 34.13 N ATOM 682 CA SER A 48 43.938 -2.691 3.677 1.00 30.02 C ATOM 683 C SER A 48 45.048 -3.440 2.946 1.00 52.14 C ATOM 684 O SER A 48 45.378 -4.573 3.291 1.00 63.54 O ATOM 685 CB SER A 48 44.424 -2.263 5.063 1.00 10.22 C ATOM 686 OG SER A 48 45.840 -2.261 5.129 1.00 15.12 O ATOM 0 H SER A 48 42.401 -3.633 4.747 1.00 34.13 H new ATOM 0 HA SER A 48 43.681 -1.803 3.099 1.00 30.02 H new ATOM 0 HB2 SER A 48 44.045 -1.267 5.293 1.00 10.22 H new ATOM 0 HB3 SER A 48 44.023 -2.940 5.818 1.00 10.22 H new ATOM 0 HG SER A 48 46.125 -1.983 6.024 1.00 15.12 H new ATOM 692 N ASN A 49 45.619 -2.796 1.933 1.00 60.33 N ATOM 693 CA ASN A 49 46.692 -3.401 1.151 1.00 54.32 C ATOM 694 C ASN A 49 48.042 -3.195 1.830 1.00 22.41 C ATOM 695 O ASN A 49 48.651 -2.131 1.718 1.00 2.23 O ATOM 696 CB ASN A 49 46.721 -2.806 -0.258 1.00 43.54 C ATOM 697 CG ASN A 49 46.484 -3.850 -1.332 1.00 44.12 C ATOM 698 OD1 ASN A 49 47.428 -4.356 -1.940 1.00 73.21 O ATOM 699 ND2 ASN A 49 45.220 -4.177 -1.570 1.00 54.15 N ATOM 0 H ASN A 49 45.357 -1.856 1.634 1.00 60.33 H new ATOM 0 HA ASN A 49 46.500 -4.472 1.082 1.00 54.32 H new ATOM 0 HB2 ASN A 49 45.961 -2.029 -0.337 1.00 43.54 H new ATOM 0 HB3 ASN A 49 47.685 -2.327 -0.427 1.00 43.54 H new ATOM 0 HD21 ASN A 49 44.999 -4.874 -2.281 1.00 54.15 H new ATOM 0 HD22 ASN A 49 44.470 -3.732 -1.042 1.00 54.15 H new ATOM 706 N THR A 50 48.506 -4.223 2.535 1.00 2.31 N ATOM 707 CA THR A 50 49.784 -4.156 3.233 1.00 11.30 C ATOM 708 C THR A 50 50.653 -5.364 2.905 1.00 24.13 C ATOM 709 O THR A 50 51.857 -5.232 2.680 1.00 75.21 O ATOM 710 CB THR A 50 49.587 -4.078 4.759 1.00 41.22 C ATOM 711 OG1 THR A 50 50.852 -4.178 5.422 1.00 44.44 O ATOM 712 CG2 THR A 50 48.666 -5.188 5.243 1.00 3.40 C ATOM 0 H THR A 50 48.016 -5.111 2.637 1.00 2.31 H new ATOM 0 HA THR A 50 50.284 -3.249 2.892 1.00 11.30 H new ATOM 0 HB THR A 50 49.128 -3.118 4.995 1.00 41.22 H new ATOM 0 HG1 THR A 50 50.718 -4.126 6.391 1.00 44.44 H new ATOM 0 HG21 THR A 50 48.542 -5.113 6.323 1.00 3.40 H new ATOM 0 HG22 THR A 50 47.694 -5.092 4.758 1.00 3.40 H new ATOM 0 HG23 THR A 50 49.101 -6.156 4.994 1.00 3.40 H new ATOM 720 N ASP A 51 50.037 -6.541 2.880 1.00 44.33 N ATOM 721 CA ASP A 51 50.756 -7.773 2.577 1.00 34.44 C ATOM 722 C ASP A 51 49.784 -8.932 2.373 1.00 25.02 C ATOM 723 O ASP A 51 49.550 -9.366 1.245 1.00 35.10 O ATOM 724 CB ASP A 51 51.737 -8.106 3.702 1.00 33.35 C ATOM 725 CG ASP A 51 53.172 -7.784 3.334 1.00 75.45 C ATOM 726 OD1 ASP A 51 53.758 -8.533 2.524 1.00 55.42 O ATOM 727 OD2 ASP A 51 53.709 -6.785 3.855 1.00 13.33 O ATOM 0 H ASP A 51 49.042 -6.668 3.066 1.00 44.33 H new ATOM 0 HA ASP A 51 51.314 -7.622 1.653 1.00 34.44 H new ATOM 0 HB2 ASP A 51 51.461 -7.549 4.597 1.00 33.35 H new ATOM 0 HB3 ASP A 51 51.657 -9.165 3.948 1.00 33.35 H new ATOM 732 N ILE A 52 49.225 -9.428 3.471 1.00 35.41 N ATOM 733 CA ILE A 52 48.279 -10.536 3.412 1.00 63.41 C ATOM 734 C ILE A 52 46.910 -10.120 3.939 1.00 43.12 C ATOM 735 O ILE A 52 46.740 -9.878 5.135 1.00 43.25 O ATOM 736 CB ILE A 52 48.781 -11.748 4.220 1.00 72.14 C ATOM 737 CG1 ILE A 52 50.149 -12.200 3.706 1.00 62.35 C ATOM 738 CG2 ILE A 52 47.777 -12.888 4.143 1.00 73.45 C ATOM 739 CD1 ILE A 52 50.833 -13.202 4.609 1.00 4.13 C ATOM 0 H ILE A 52 49.410 -9.081 4.412 1.00 35.41 H new ATOM 0 HA ILE A 52 48.191 -10.819 2.363 1.00 63.41 H new ATOM 0 HB ILE A 52 48.886 -11.452 5.264 1.00 72.14 H new ATOM 0 HG12 ILE A 52 50.029 -12.639 2.715 1.00 62.35 H new ATOM 0 HG13 ILE A 52 50.792 -11.327 3.593 1.00 62.35 H new ATOM 0 HG21 ILE A 52 48.146 -13.737 4.719 1.00 73.45 H new ATOM 0 HG22 ILE A 52 46.822 -12.560 4.552 1.00 73.45 H new ATOM 0 HG23 ILE A 52 47.643 -13.185 3.103 1.00 73.45 H new ATOM 0 HD11 ILE A 52 51.797 -13.478 4.182 1.00 4.13 H new ATOM 0 HD12 ILE A 52 50.985 -12.760 5.594 1.00 4.13 H new ATOM 0 HD13 ILE A 52 50.210 -14.092 4.703 1.00 4.13 H new ATOM 751 N LEU A 53 45.936 -10.040 3.040 1.00 51.25 N ATOM 752 CA LEU A 53 44.579 -9.654 3.413 1.00 24.44 C ATOM 753 C LEU A 53 43.549 -10.451 2.620 1.00 53.45 C ATOM 754 O LEU A 53 43.582 -10.475 1.389 1.00 22.43 O ATOM 755 CB LEU A 53 44.372 -8.157 3.183 1.00 52.54 C ATOM 756 CG LEU A 53 45.068 -7.563 1.957 1.00 23.43 C ATOM 757 CD1 LEU A 53 44.245 -6.426 1.373 1.00 34.24 C ATOM 758 CD2 LEU A 53 46.465 -7.081 2.319 1.00 25.15 C ATOM 0 H LEU A 53 46.060 -10.237 2.047 1.00 51.25 H new ATOM 0 HA LEU A 53 44.443 -9.874 4.472 1.00 24.44 H new ATOM 0 HB2 LEU A 53 43.302 -7.968 3.096 1.00 52.54 H new ATOM 0 HB3 LEU A 53 44.719 -7.623 4.067 1.00 52.54 H new ATOM 0 HG LEU A 53 45.158 -8.343 1.201 1.00 23.43 H new ATOM 0 HD11 LEU A 53 44.757 -6.017 0.502 1.00 34.24 H new ATOM 0 HD12 LEU A 53 43.266 -6.801 1.076 1.00 34.24 H new ATOM 0 HD13 LEU A 53 44.122 -5.644 2.122 1.00 34.24 H new ATOM 0 HD21 LEU A 53 46.946 -6.662 1.435 1.00 25.15 H new ATOM 0 HD22 LEU A 53 46.397 -6.316 3.093 1.00 25.15 H new ATOM 0 HD23 LEU A 53 47.055 -7.920 2.689 1.00 25.15 H new ATOM 770 N SER A 54 42.632 -11.098 3.332 1.00 64.52 N ATOM 771 CA SER A 54 41.592 -11.897 2.694 1.00 43.02 C ATOM 772 C SER A 54 40.250 -11.697 3.391 1.00 71.41 C ATOM 773 O SER A 54 40.093 -12.030 4.566 1.00 3.53 O ATOM 774 CB SER A 54 41.974 -13.378 2.712 1.00 70.41 C ATOM 775 OG SER A 54 41.865 -13.949 1.419 1.00 11.14 O ATOM 0 H SER A 54 42.588 -11.085 4.351 1.00 64.52 H new ATOM 0 HA SER A 54 41.497 -11.567 1.660 1.00 43.02 H new ATOM 0 HB2 SER A 54 42.995 -13.489 3.077 1.00 70.41 H new ATOM 0 HB3 SER A 54 41.327 -13.915 3.406 1.00 70.41 H new ATOM 0 HG SER A 54 42.116 -14.895 1.457 1.00 11.14 H new ATOM 781 N ILE A 55 39.285 -11.153 2.658 1.00 51.13 N ATOM 782 CA ILE A 55 37.956 -10.910 3.204 1.00 13.22 C ATOM 783 C ILE A 55 36.900 -11.725 2.465 1.00 11.11 C ATOM 784 O ILE A 55 36.809 -11.675 1.239 1.00 72.05 O ATOM 785 CB ILE A 55 37.581 -9.418 3.130 1.00 11.24 C ATOM 786 CG1 ILE A 55 37.911 -8.854 1.747 1.00 70.53 C ATOM 787 CG2 ILE A 55 38.307 -8.635 4.214 1.00 22.11 C ATOM 788 CD1 ILE A 55 39.319 -8.312 1.635 1.00 14.13 C ATOM 0 H ILE A 55 39.399 -10.872 1.684 1.00 51.13 H new ATOM 0 HA ILE A 55 37.984 -11.218 4.249 1.00 13.22 H new ATOM 0 HB ILE A 55 36.508 -9.320 3.295 1.00 11.24 H new ATOM 0 HG12 ILE A 55 37.772 -9.637 1.002 1.00 70.53 H new ATOM 0 HG13 ILE A 55 37.204 -8.059 1.510 1.00 70.53 H new ATOM 0 HG21 ILE A 55 38.032 -7.582 4.149 1.00 22.11 H new ATOM 0 HG22 ILE A 55 38.027 -9.023 5.193 1.00 22.11 H new ATOM 0 HG23 ILE A 55 39.384 -8.738 4.078 1.00 22.11 H new ATOM 0 HD11 ILE A 55 39.482 -7.929 0.628 1.00 14.13 H new ATOM 0 HD12 ILE A 55 39.457 -7.507 2.356 1.00 14.13 H new ATOM 0 HD13 ILE A 55 40.033 -9.109 1.840 1.00 14.13 H new ATOM 800 N SER A 56 36.103 -12.474 3.220 1.00 14.22 N ATOM 801 CA SER A 56 35.053 -13.302 2.637 1.00 44.42 C ATOM 802 C SER A 56 33.699 -12.984 3.264 1.00 42.03 C ATOM 803 O SER A 56 33.465 -13.268 4.438 1.00 53.44 O ATOM 804 CB SER A 56 35.380 -14.784 2.825 1.00 23.24 C ATOM 805 OG SER A 56 35.498 -15.443 1.577 1.00 64.35 O ATOM 0 H SER A 56 36.164 -12.525 4.237 1.00 14.22 H new ATOM 0 HA SER A 56 35.000 -13.082 1.571 1.00 44.42 H new ATOM 0 HB2 SER A 56 36.311 -14.886 3.383 1.00 23.24 H new ATOM 0 HB3 SER A 56 34.599 -15.259 3.418 1.00 23.24 H new ATOM 0 HG SER A 56 35.709 -16.389 1.725 1.00 64.35 H new ATOM 811 N ASN A 57 32.811 -12.393 2.471 1.00 42.12 N ATOM 812 CA ASN A 57 31.480 -12.035 2.947 1.00 31.41 C ATOM 813 C ASN A 57 30.478 -12.016 1.797 1.00 51.42 C ATOM 814 O ASN A 57 29.788 -11.020 1.578 1.00 24.00 O ATOM 815 CB ASN A 57 31.511 -10.669 3.635 1.00 44.15 C ATOM 816 CG ASN A 57 32.108 -9.591 2.751 1.00 43.32 C ATOM 817 OD1 ASN A 57 33.286 -9.644 2.398 1.00 45.42 O ATOM 818 ND2 ASN A 57 31.295 -8.605 2.389 1.00 21.11 N ATOM 0 H ASN A 57 32.989 -12.152 1.496 1.00 42.12 H new ATOM 0 HA ASN A 57 31.164 -12.789 3.668 1.00 31.41 H new ATOM 0 HB2 ASN A 57 30.497 -10.384 3.917 1.00 44.15 H new ATOM 0 HB3 ASN A 57 32.090 -10.742 4.556 1.00 44.15 H new ATOM 0 HD21 ASN A 57 31.640 -7.851 1.795 1.00 21.11 H new ATOM 0 HD22 ASN A 57 30.325 -8.602 2.705 1.00 21.11 H new ATOM 825 N ALA A 58 30.403 -13.123 1.065 1.00 10.44 N ATOM 826 CA ALA A 58 29.484 -13.234 -0.060 1.00 52.44 C ATOM 827 C ALA A 58 28.444 -14.322 0.185 1.00 0.30 C ATOM 828 O ALA A 58 27.362 -14.303 -0.401 1.00 71.25 O ATOM 829 CB ALA A 58 30.252 -13.515 -1.343 1.00 41.23 C ATOM 0 H ALA A 58 30.968 -13.956 1.232 1.00 10.44 H new ATOM 0 HA ALA A 58 28.960 -12.284 -0.164 1.00 52.44 H new ATOM 0 HB1 ALA A 58 29.553 -13.596 -2.175 1.00 41.23 H new ATOM 0 HB2 ALA A 58 30.951 -12.701 -1.534 1.00 41.23 H new ATOM 0 HB3 ALA A 58 30.803 -14.450 -1.240 1.00 41.23 H new ATOM 835 N SER A 59 28.780 -15.269 1.055 1.00 74.22 N ATOM 836 CA SER A 59 27.876 -16.368 1.374 1.00 22.42 C ATOM 837 C SER A 59 26.583 -15.846 1.993 1.00 70.43 C ATOM 838 O SER A 59 25.493 -16.320 1.671 1.00 11.23 O ATOM 839 CB SER A 59 28.553 -17.351 2.332 1.00 11.32 C ATOM 840 OG SER A 59 28.844 -16.733 3.574 1.00 65.11 O ATOM 0 H SER A 59 29.671 -15.297 1.551 1.00 74.22 H new ATOM 0 HA SER A 59 27.631 -16.885 0.446 1.00 22.42 H new ATOM 0 HB2 SER A 59 27.904 -18.212 2.494 1.00 11.32 H new ATOM 0 HB3 SER A 59 29.473 -17.725 1.884 1.00 11.32 H new ATOM 0 HG SER A 59 29.274 -17.382 4.169 1.00 65.11 H new ATOM 846 N ASP A 60 26.713 -14.868 2.882 1.00 72.01 N ATOM 847 CA ASP A 60 25.555 -14.280 3.546 1.00 44.41 C ATOM 848 C ASP A 60 25.930 -12.969 4.231 1.00 51.14 C ATOM 849 O ASP A 60 27.010 -12.425 4.003 1.00 42.42 O ATOM 850 CB ASP A 60 24.977 -15.257 4.570 1.00 74.20 C ATOM 851 CG ASP A 60 23.462 -15.314 4.525 1.00 43.50 C ATOM 852 OD1 ASP A 60 22.920 -15.983 3.621 1.00 33.41 O ATOM 853 OD2 ASP A 60 22.820 -14.689 5.394 1.00 13.51 O ATOM 0 H ASP A 60 27.608 -14.465 3.160 1.00 72.01 H new ATOM 0 HA ASP A 60 24.800 -14.071 2.788 1.00 44.41 H new ATOM 0 HB2 ASP A 60 25.381 -16.253 4.386 1.00 74.20 H new ATOM 0 HB3 ASP A 60 25.297 -14.963 5.570 1.00 74.20 H new ATOM 858 N SER A 61 25.029 -12.467 5.069 1.00 3.14 N ATOM 859 CA SER A 61 25.263 -11.217 5.784 1.00 71.23 C ATOM 860 C SER A 61 26.617 -11.238 6.487 1.00 73.32 C ATOM 861 O SER A 61 27.442 -10.344 6.298 1.00 55.43 O ATOM 862 CB SER A 61 24.149 -10.973 6.804 1.00 44.51 C ATOM 863 OG SER A 61 24.668 -10.421 8.002 1.00 54.10 O ATOM 0 H SER A 61 24.130 -12.906 5.270 1.00 3.14 H new ATOM 0 HA SER A 61 25.264 -10.405 5.056 1.00 71.23 H new ATOM 0 HB2 SER A 61 23.405 -10.298 6.381 1.00 44.51 H new ATOM 0 HB3 SER A 61 23.640 -11.911 7.023 1.00 44.51 H new ATOM 0 HG SER A 61 23.943 -9.999 8.509 1.00 54.10 H new ATOM 869 N HIS A 62 26.839 -12.267 7.299 1.00 14.44 N ATOM 870 CA HIS A 62 28.093 -12.406 8.031 1.00 15.03 C ATOM 871 C HIS A 62 29.205 -12.903 7.113 1.00 20.44 C ATOM 872 O HIS A 62 28.955 -13.642 6.162 1.00 33.42 O ATOM 873 CB HIS A 62 27.917 -13.368 9.207 1.00 41.31 C ATOM 874 CG HIS A 62 27.853 -14.807 8.799 1.00 72.34 C ATOM 875 ND1 HIS A 62 28.883 -15.698 9.014 1.00 5.53 N ATOM 876 CD2 HIS A 62 26.872 -15.511 8.186 1.00 41.32 C ATOM 877 CE1 HIS A 62 28.540 -16.886 8.550 1.00 2.23 C ATOM 878 NE2 HIS A 62 27.324 -16.800 8.043 1.00 51.42 N ATOM 0 H HIS A 62 26.167 -13.016 7.467 1.00 14.44 H new ATOM 0 HA HIS A 62 28.374 -11.425 8.413 1.00 15.03 H new ATOM 0 HB2 HIS A 62 28.745 -13.233 9.903 1.00 41.31 H new ATOM 0 HB3 HIS A 62 27.004 -13.110 9.743 1.00 41.31 H new ATOM 0 HD2 HIS A 62 25.913 -15.130 7.869 1.00 41.32 H new ATOM 0 HE1 HIS A 62 29.150 -17.776 8.580 1.00 2.23 H new ATOM 0 HE2 HIS A 62 26.805 -17.566 7.615 1.00 51.42 H new ATOM 886 N GLY A 63 30.435 -12.492 7.405 1.00 3.23 N ATOM 887 CA GLY A 63 31.567 -12.905 6.596 1.00 2.33 C ATOM 888 C GLY A 63 32.716 -13.432 7.433 1.00 71.31 C ATOM 889 O GLY A 63 32.513 -14.241 8.339 1.00 23.25 O ATOM 0 H GLY A 63 30.668 -11.880 8.187 1.00 3.23 H new ATOM 0 HA2 GLY A 63 31.247 -13.677 5.896 1.00 2.33 H new ATOM 0 HA3 GLY A 63 31.913 -12.059 6.001 1.00 2.33 H new ATOM 893 N LEU A 64 33.926 -12.976 7.128 1.00 13.14 N ATOM 894 CA LEU A 64 35.113 -13.408 7.858 1.00 34.31 C ATOM 895 C LEU A 64 36.348 -12.649 7.387 1.00 44.33 C ATOM 896 O LEU A 64 37.055 -13.093 6.483 1.00 60.34 O ATOM 897 CB LEU A 64 35.325 -14.913 7.679 1.00 4.53 C ATOM 898 CG LEU A 64 35.222 -15.440 6.248 1.00 52.44 C ATOM 899 CD1 LEU A 64 36.396 -16.351 5.928 1.00 45.01 C ATOM 900 CD2 LEU A 64 33.904 -16.173 6.043 1.00 22.15 C ATOM 0 H LEU A 64 34.111 -12.307 6.380 1.00 13.14 H new ATOM 0 HA LEU A 64 34.959 -13.192 8.915 1.00 34.31 H new ATOM 0 HB2 LEU A 64 36.310 -15.170 8.069 1.00 4.53 H new ATOM 0 HB3 LEU A 64 34.592 -15.438 8.292 1.00 4.53 H new ATOM 0 HG LEU A 64 35.252 -14.590 5.566 1.00 52.44 H new ATOM 0 HD11 LEU A 64 36.305 -16.716 4.905 1.00 45.01 H new ATOM 0 HD12 LEU A 64 37.327 -15.795 6.033 1.00 45.01 H new ATOM 0 HD13 LEU A 64 36.399 -17.196 6.616 1.00 45.01 H new ATOM 0 HD21 LEU A 64 33.848 -16.541 5.019 1.00 22.15 H new ATOM 0 HD22 LEU A 64 33.844 -17.013 6.735 1.00 22.15 H new ATOM 0 HD23 LEU A 64 33.075 -15.490 6.229 1.00 22.15 H new ATOM 912 N ALA A 65 36.604 -11.502 8.007 1.00 11.52 N ATOM 913 CA ALA A 65 37.757 -10.682 7.654 1.00 33.42 C ATOM 914 C ALA A 65 39.030 -11.219 8.300 1.00 52.13 C ATOM 915 O ALA A 65 39.247 -11.051 9.500 1.00 71.23 O ATOM 916 CB ALA A 65 37.523 -9.236 8.066 1.00 33.51 C ATOM 0 H ALA A 65 36.028 -11.119 8.757 1.00 11.52 H new ATOM 0 HA ALA A 65 37.884 -10.723 6.572 1.00 33.42 H new ATOM 0 HB1 ALA A 65 38.392 -8.636 7.796 1.00 33.51 H new ATOM 0 HB2 ALA A 65 36.642 -8.850 7.554 1.00 33.51 H new ATOM 0 HB3 ALA A 65 37.367 -9.185 9.144 1.00 33.51 H new ATOM 922 N SER A 66 39.868 -11.865 7.496 1.00 63.30 N ATOM 923 CA SER A 66 41.118 -12.431 7.990 1.00 2.34 C ATOM 924 C SER A 66 42.315 -11.645 7.464 1.00 65.31 C ATOM 925 O SER A 66 42.334 -11.216 6.310 1.00 75.45 O ATOM 926 CB SER A 66 41.236 -13.899 7.579 1.00 63.43 C ATOM 927 OG SER A 66 41.846 -14.025 6.305 1.00 14.35 O ATOM 0 H SER A 66 39.704 -12.010 6.500 1.00 63.30 H new ATOM 0 HA SER A 66 41.113 -12.366 9.078 1.00 2.34 H new ATOM 0 HB2 SER A 66 41.821 -14.442 8.321 1.00 63.43 H new ATOM 0 HB3 SER A 66 40.246 -14.355 7.558 1.00 63.43 H new ATOM 0 HG SER A 66 41.375 -13.458 5.659 1.00 14.35 H new ATOM 933 N THR A 67 43.316 -11.460 8.319 1.00 3.02 N ATOM 934 CA THR A 67 44.517 -10.726 7.943 1.00 45.34 C ATOM 935 C THR A 67 45.751 -11.301 8.629 1.00 42.31 C ATOM 936 O THR A 67 45.731 -11.589 9.826 1.00 13.23 O ATOM 937 CB THR A 67 44.397 -9.231 8.297 1.00 73.42 C ATOM 938 OG1 THR A 67 43.601 -9.070 9.476 1.00 22.34 O ATOM 939 CG2 THR A 67 43.774 -8.452 7.149 1.00 51.25 C ATOM 0 H THR A 67 43.318 -11.809 9.277 1.00 3.02 H new ATOM 0 HA THR A 67 44.624 -10.829 6.863 1.00 45.34 H new ATOM 0 HB THR A 67 45.399 -8.841 8.479 1.00 73.42 H new ATOM 0 HG1 THR A 67 43.993 -8.373 10.043 1.00 22.34 H new ATOM 0 HG21 THR A 67 43.699 -7.399 7.422 1.00 51.25 H new ATOM 0 HG22 THR A 67 44.397 -8.553 6.260 1.00 51.25 H new ATOM 0 HG23 THR A 67 42.779 -8.844 6.941 1.00 51.25 H new ATOM 947 N LEU A 68 46.825 -11.465 7.864 1.00 30.22 N ATOM 948 CA LEU A 68 48.070 -12.006 8.399 1.00 12.33 C ATOM 949 C LEU A 68 49.252 -11.113 8.036 1.00 51.21 C ATOM 950 O LEU A 68 50.223 -11.567 7.434 1.00 64.34 O ATOM 951 CB LEU A 68 48.304 -13.421 7.869 1.00 34.54 C ATOM 952 CG LEU A 68 49.133 -14.344 8.763 1.00 31.31 C ATOM 953 CD1 LEU A 68 48.310 -15.546 9.199 1.00 35.23 C ATOM 954 CD2 LEU A 68 50.395 -14.794 8.041 1.00 54.32 C ATOM 0 H LEU A 68 46.859 -11.231 6.872 1.00 30.22 H new ATOM 0 HA LEU A 68 47.985 -12.041 9.485 1.00 12.33 H new ATOM 0 HB2 LEU A 68 47.334 -13.888 7.698 1.00 34.54 H new ATOM 0 HB3 LEU A 68 48.797 -13.347 6.900 1.00 34.54 H new ATOM 0 HG LEU A 68 49.426 -13.788 9.653 1.00 31.31 H new ATOM 0 HD11 LEU A 68 48.917 -16.191 9.834 1.00 35.23 H new ATOM 0 HD12 LEU A 68 47.437 -15.206 9.756 1.00 35.23 H new ATOM 0 HD13 LEU A 68 47.986 -16.103 8.320 1.00 35.23 H new ATOM 0 HD21 LEU A 68 50.972 -15.450 8.692 1.00 54.32 H new ATOM 0 HD22 LEU A 68 50.123 -15.332 7.133 1.00 54.32 H new ATOM 0 HD23 LEU A 68 50.995 -13.922 7.780 1.00 54.32 H new ATOM 966 N ASN A 69 49.162 -9.840 8.408 1.00 20.14 N ATOM 967 CA ASN A 69 50.225 -8.883 8.123 1.00 21.41 C ATOM 968 C ASN A 69 50.765 -8.270 9.411 1.00 25.34 C ATOM 969 O ASN A 69 50.221 -8.494 10.492 1.00 12.11 O ATOM 970 CB ASN A 69 49.711 -7.780 7.196 1.00 2.33 C ATOM 971 CG ASN A 69 48.352 -7.256 7.619 1.00 4.33 C ATOM 972 OD1 ASN A 69 47.323 -7.663 7.082 1.00 73.44 O ATOM 973 ND2 ASN A 69 48.344 -6.347 8.587 1.00 2.24 N ATOM 0 H ASN A 69 48.364 -9.447 8.907 1.00 20.14 H new ATOM 0 HA ASN A 69 51.037 -9.416 7.628 1.00 21.41 H new ATOM 0 HB2 ASN A 69 50.426 -6.958 7.183 1.00 2.33 H new ATOM 0 HB3 ASN A 69 49.648 -8.165 6.178 1.00 2.33 H new ATOM 0 HD21 ASN A 69 47.460 -5.957 8.914 1.00 2.24 H new ATOM 0 HD22 ASN A 69 49.222 -6.038 9.004 1.00 2.24 H new ATOM 980 N GLN A 70 51.839 -7.496 9.287 1.00 31.53 N ATOM 981 CA GLN A 70 52.453 -6.851 10.442 1.00 74.41 C ATOM 982 C GLN A 70 52.109 -5.366 10.482 1.00 1.00 C ATOM 983 O GLN A 70 52.885 -4.527 10.028 1.00 4.50 O ATOM 984 CB GLN A 70 53.971 -7.035 10.408 1.00 32.13 C ATOM 985 CG GLN A 70 54.460 -8.211 11.238 1.00 72.31 C ATOM 986 CD GLN A 70 55.601 -8.958 10.576 1.00 61.01 C ATOM 987 OE1 GLN A 70 55.581 -9.203 9.369 1.00 1.53 O ATOM 988 NE2 GLN A 70 56.605 -9.325 11.364 1.00 11.20 N ATOM 0 H GLN A 70 52.301 -7.301 8.399 1.00 31.53 H new ATOM 0 HA GLN A 70 52.058 -7.321 11.342 1.00 74.41 H new ATOM 0 HB2 GLN A 70 54.289 -7.173 9.375 1.00 32.13 H new ATOM 0 HB3 GLN A 70 54.447 -6.123 10.769 1.00 32.13 H new ATOM 0 HG2 GLN A 70 54.784 -7.852 12.215 1.00 72.31 H new ATOM 0 HG3 GLN A 70 53.632 -8.899 11.410 1.00 72.31 H new ATOM 0 HE21 GLN A 70 56.581 -9.101 12.359 1.00 11.20 H new ATOM 0 HE22 GLN A 70 57.401 -9.831 10.974 1.00 11.20 H new ATOM 997 N GLY A 71 50.939 -5.048 11.029 1.00 63.53 N ATOM 998 CA GLY A 71 50.513 -3.664 11.117 1.00 23.03 C ATOM 999 C GLY A 71 49.040 -3.531 11.448 1.00 50.21 C ATOM 1000 O GLY A 71 48.530 -4.220 12.330 1.00 3.02 O ATOM 0 H GLY A 71 50.279 -5.725 11.413 1.00 63.53 H new ATOM 0 HA2 GLY A 71 51.101 -3.154 11.880 1.00 23.03 H new ATOM 0 HA3 GLY A 71 50.716 -3.164 10.170 1.00 23.03 H new ATOM 1004 N ASN A 72 48.354 -2.640 10.739 1.00 62.13 N ATOM 1005 CA ASN A 72 46.931 -2.417 10.963 1.00 15.02 C ATOM 1006 C ASN A 72 46.162 -2.436 9.645 1.00 4.21 C ATOM 1007 O ASN A 72 46.627 -1.906 8.636 1.00 41.13 O ATOM 1008 CB ASN A 72 46.709 -1.082 11.677 1.00 54.23 C ATOM 1009 CG ASN A 72 47.160 0.101 10.843 1.00 43.54 C ATOM 1010 OD1 ASN A 72 46.381 0.670 10.078 1.00 15.13 O ATOM 1011 ND2 ASN A 72 48.426 0.478 10.986 1.00 33.33 N ATOM 0 H ASN A 72 48.761 -2.061 10.005 1.00 62.13 H new ATOM 0 HA ASN A 72 46.557 -3.225 11.592 1.00 15.02 H new ATOM 0 HB2 ASN A 72 45.651 -0.972 11.916 1.00 54.23 H new ATOM 0 HB3 ASN A 72 47.251 -1.084 12.623 1.00 54.23 H new ATOM 0 HD21 ASN A 72 48.787 1.267 10.450 1.00 33.33 H new ATOM 0 HD22 ASN A 72 49.037 -0.022 11.632 1.00 33.33 H new ATOM 1018 N VAL A 73 44.983 -3.050 9.662 1.00 4.52 N ATOM 1019 CA VAL A 73 44.149 -3.136 8.469 1.00 24.35 C ATOM 1020 C VAL A 73 42.764 -2.553 8.724 1.00 31.42 C ATOM 1021 O VAL A 73 42.287 -2.529 9.859 1.00 20.31 O ATOM 1022 CB VAL A 73 44.002 -4.593 7.993 1.00 74.43 C ATOM 1023 CG1 VAL A 73 45.286 -5.073 7.334 1.00 2.13 C ATOM 1024 CG2 VAL A 73 43.619 -5.497 9.155 1.00 74.54 C ATOM 0 H VAL A 73 44.584 -3.495 10.489 1.00 4.52 H new ATOM 0 HA VAL A 73 44.646 -2.556 7.691 1.00 24.35 H new ATOM 0 HB VAL A 73 43.204 -4.635 7.251 1.00 74.43 H new ATOM 0 HG11 VAL A 73 45.162 -6.105 7.004 1.00 2.13 H new ATOM 0 HG12 VAL A 73 45.512 -4.442 6.474 1.00 2.13 H new ATOM 0 HG13 VAL A 73 46.106 -5.017 8.050 1.00 2.13 H new ATOM 0 HG21 VAL A 73 43.519 -6.523 8.800 1.00 74.54 H new ATOM 0 HG22 VAL A 73 44.393 -5.452 9.922 1.00 74.54 H new ATOM 0 HG23 VAL A 73 42.670 -5.165 9.577 1.00 74.54 H new ATOM 1034 N LYS A 74 42.121 -2.084 7.660 1.00 32.24 N ATOM 1035 CA LYS A 74 40.788 -1.502 7.766 1.00 21.35 C ATOM 1036 C LYS A 74 39.836 -2.135 6.756 1.00 2.22 C ATOM 1037 O LYS A 74 40.042 -2.034 5.547 1.00 63.24 O ATOM 1038 CB LYS A 74 40.851 0.011 7.546 1.00 32.21 C ATOM 1039 CG LYS A 74 39.486 0.676 7.504 1.00 41.34 C ATOM 1040 CD LYS A 74 38.796 0.620 8.856 1.00 73.30 C ATOM 1041 CE LYS A 74 38.929 1.936 9.606 1.00 44.44 C ATOM 1042 NZ LYS A 74 37.997 2.971 9.079 1.00 11.34 N ATOM 0 H LYS A 74 42.502 -2.096 6.714 1.00 32.24 H new ATOM 0 HA LYS A 74 40.410 -1.701 8.769 1.00 21.35 H new ATOM 0 HB2 LYS A 74 41.441 0.462 8.344 1.00 32.21 H new ATOM 0 HB3 LYS A 74 41.373 0.212 6.611 1.00 32.21 H new ATOM 0 HG2 LYS A 74 39.596 1.715 7.194 1.00 41.34 H new ATOM 0 HG3 LYS A 74 38.864 0.184 6.756 1.00 41.34 H new ATOM 0 HD2 LYS A 74 37.741 0.384 8.717 1.00 73.30 H new ATOM 0 HD3 LYS A 74 39.227 -0.185 9.452 1.00 73.30 H new ATOM 0 HE2 LYS A 74 38.729 1.772 10.665 1.00 44.44 H new ATOM 0 HE3 LYS A 74 39.955 2.297 9.527 1.00 44.44 H new ATOM 0 HZ1 LYS A 74 38.118 3.853 9.616 1.00 11.34 H new ATOM 0 HZ2 LYS A 74 38.204 3.146 8.075 1.00 11.34 H new ATOM 0 HZ3 LYS A 74 37.017 2.638 9.177 1.00 11.34 H new ATOM 1056 N VAL A 75 38.792 -2.786 7.260 1.00 5.42 N ATOM 1057 CA VAL A 75 37.807 -3.432 6.402 1.00 63.14 C ATOM 1058 C VAL A 75 36.566 -2.562 6.237 1.00 22.13 C ATOM 1059 O VAL A 75 36.105 -1.932 7.190 1.00 41.45 O ATOM 1060 CB VAL A 75 37.388 -4.804 6.962 1.00 24.22 C ATOM 1061 CG1 VAL A 75 36.336 -5.447 6.071 1.00 1.43 C ATOM 1062 CG2 VAL A 75 38.600 -5.712 7.109 1.00 4.33 C ATOM 0 H VAL A 75 38.607 -2.880 8.259 1.00 5.42 H new ATOM 0 HA VAL A 75 38.279 -3.574 5.430 1.00 63.14 H new ATOM 0 HB VAL A 75 36.951 -4.655 7.950 1.00 24.22 H new ATOM 0 HG11 VAL A 75 36.053 -6.416 6.483 1.00 1.43 H new ATOM 0 HG12 VAL A 75 35.458 -4.803 6.022 1.00 1.43 H new ATOM 0 HG13 VAL A 75 36.742 -5.584 5.069 1.00 1.43 H new ATOM 0 HG21 VAL A 75 38.286 -6.677 7.506 1.00 4.33 H new ATOM 0 HG22 VAL A 75 39.068 -5.855 6.135 1.00 4.33 H new ATOM 0 HG23 VAL A 75 39.316 -5.255 7.792 1.00 4.33 H new ATOM 1072 N THR A 76 36.028 -2.532 5.022 1.00 33.01 N ATOM 1073 CA THR A 76 34.840 -1.739 4.732 1.00 50.01 C ATOM 1074 C THR A 76 33.857 -2.518 3.865 1.00 1.23 C ATOM 1075 O THR A 76 34.246 -3.150 2.884 1.00 23.30 O ATOM 1076 CB THR A 76 35.204 -0.423 4.019 1.00 13.44 C ATOM 1077 OG1 THR A 76 35.960 -0.699 2.835 1.00 34.22 O ATOM 1078 CG2 THR A 76 36.006 0.486 4.938 1.00 12.44 C ATOM 0 H THR A 76 36.396 -3.048 4.223 1.00 33.01 H new ATOM 0 HA THR A 76 34.372 -1.508 5.689 1.00 50.01 H new ATOM 0 HB THR A 76 34.279 0.085 3.748 1.00 13.44 H new ATOM 0 HG1 THR A 76 36.186 0.143 2.387 1.00 34.22 H new ATOM 0 HG21 THR A 76 36.252 1.409 4.413 1.00 12.44 H new ATOM 0 HG22 THR A 76 35.416 0.719 5.825 1.00 12.44 H new ATOM 0 HG23 THR A 76 36.926 -0.018 5.236 1.00 12.44 H new ATOM 1086 N ALA A 77 32.581 -2.467 4.234 1.00 42.12 N ATOM 1087 CA ALA A 77 31.542 -3.166 3.488 1.00 41.32 C ATOM 1088 C ALA A 77 30.217 -2.414 3.556 1.00 2.14 C ATOM 1089 O ALA A 77 29.795 -1.977 4.627 1.00 43.20 O ATOM 1090 CB ALA A 77 31.375 -4.583 4.017 1.00 42.45 C ATOM 0 H ALA A 77 32.242 -1.949 5.045 1.00 42.12 H new ATOM 0 HA ALA A 77 31.849 -3.214 2.443 1.00 41.32 H new ATOM 0 HB1 ALA A 77 30.596 -5.093 3.451 1.00 42.45 H new ATOM 0 HB2 ALA A 77 32.315 -5.124 3.910 1.00 42.45 H new ATOM 0 HB3 ALA A 77 31.094 -4.548 5.070 1.00 42.45 H new ATOM 1096 N SER A 78 29.566 -2.266 2.407 1.00 34.43 N ATOM 1097 CA SER A 78 28.290 -1.563 2.337 1.00 62.14 C ATOM 1098 C SER A 78 27.344 -2.252 1.358 1.00 53.51 C ATOM 1099 O SER A 78 27.756 -2.691 0.284 1.00 30.32 O ATOM 1100 CB SER A 78 28.508 -0.109 1.915 1.00 4.31 C ATOM 1101 OG SER A 78 29.817 0.326 2.241 1.00 64.22 O ATOM 0 H SER A 78 29.901 -2.623 1.512 1.00 34.43 H new ATOM 0 HA SER A 78 27.837 -1.582 3.328 1.00 62.14 H new ATOM 0 HB2 SER A 78 28.345 -0.010 0.842 1.00 4.31 H new ATOM 0 HB3 SER A 78 27.776 0.530 2.408 1.00 4.31 H new ATOM 0 HG SER A 78 29.932 1.258 1.960 1.00 64.22 H new ATOM 1107 N ILE A 79 26.073 -2.341 1.737 1.00 3.01 N ATOM 1108 CA ILE A 79 25.068 -2.975 0.893 1.00 13.54 C ATOM 1109 C ILE A 79 23.768 -2.177 0.894 1.00 51.00 C ATOM 1110 O ILE A 79 23.236 -1.838 1.950 1.00 1.41 O ATOM 1111 CB ILE A 79 24.773 -4.415 1.353 1.00 3.30 C ATOM 1112 CG1 ILE A 79 23.593 -4.992 0.569 1.00 22.31 C ATOM 1113 CG2 ILE A 79 24.490 -4.446 2.847 1.00 32.14 C ATOM 1114 CD1 ILE A 79 22.266 -4.847 1.280 1.00 1.33 C ATOM 0 H ILE A 79 25.715 -1.982 2.622 1.00 3.01 H new ATOM 0 HA ILE A 79 25.476 -3.002 -0.118 1.00 13.54 H new ATOM 0 HB ILE A 79 25.651 -5.031 1.157 1.00 3.30 H new ATOM 0 HG12 ILE A 79 23.533 -4.495 -0.399 1.00 22.31 H new ATOM 0 HG13 ILE A 79 23.778 -6.048 0.375 1.00 22.31 H new ATOM 0 HG21 ILE A 79 24.283 -5.470 3.157 1.00 32.14 H new ATOM 0 HG22 ILE A 79 25.358 -4.071 3.390 1.00 32.14 H new ATOM 0 HG23 ILE A 79 23.626 -3.819 3.067 1.00 32.14 H new ATOM 0 HD11 ILE A 79 21.475 -5.278 0.666 1.00 1.33 H new ATOM 0 HD12 ILE A 79 22.307 -5.368 2.237 1.00 1.33 H new ATOM 0 HD13 ILE A 79 22.058 -3.791 1.451 1.00 1.33 H new ATOM 1126 N GLY A 80 23.260 -1.882 -0.299 1.00 62.10 N ATOM 1127 CA GLY A 80 22.025 -1.128 -0.414 1.00 25.11 C ATOM 1128 C GLY A 80 22.090 0.204 0.307 1.00 62.30 C ATOM 1129 O GLY A 80 22.587 1.189 -0.238 1.00 35.13 O ATOM 0 H GLY A 80 23.682 -2.152 -1.188 1.00 62.10 H new ATOM 0 HA2 GLY A 80 21.804 -0.957 -1.468 1.00 25.11 H new ATOM 0 HA3 GLY A 80 21.203 -1.718 -0.008 1.00 25.11 H new ATOM 1133 N GLY A 81 21.585 0.235 1.537 1.00 63.33 N ATOM 1134 CA GLY A 81 21.596 1.461 2.312 1.00 1.23 C ATOM 1135 C GLY A 81 22.490 1.367 3.533 1.00 15.22 C ATOM 1136 O GLY A 81 22.587 0.311 4.159 1.00 3.20 O ATOM 0 H GLY A 81 21.169 -0.567 2.010 1.00 63.33 H new ATOM 0 HA2 GLY A 81 21.933 2.283 1.681 1.00 1.23 H new ATOM 0 HA3 GLY A 81 20.580 1.697 2.627 1.00 1.23 H new ATOM 1140 N ILE A 82 23.144 2.473 3.872 1.00 60.21 N ATOM 1141 CA ILE A 82 24.034 2.510 5.026 1.00 62.15 C ATOM 1142 C ILE A 82 25.249 1.614 4.811 1.00 22.43 C ATOM 1143 O ILE A 82 25.166 0.592 4.130 1.00 1.20 O ATOM 1144 CB ILE A 82 23.308 2.073 6.311 1.00 20.53 C ATOM 1145 CG1 ILE A 82 22.005 2.857 6.479 1.00 2.12 C ATOM 1146 CG2 ILE A 82 24.210 2.267 7.521 1.00 14.22 C ATOM 1147 CD1 ILE A 82 21.205 2.446 7.695 1.00 75.31 C ATOM 0 H ILE A 82 23.074 3.355 3.364 1.00 60.21 H new ATOM 0 HA ILE A 82 24.363 3.543 5.139 1.00 62.15 H new ATOM 0 HB ILE A 82 23.064 1.014 6.231 1.00 20.53 H new ATOM 0 HG12 ILE A 82 22.236 3.920 6.549 1.00 2.12 H new ATOM 0 HG13 ILE A 82 21.392 2.722 5.588 1.00 2.12 H new ATOM 0 HG21 ILE A 82 23.683 1.954 8.422 1.00 14.22 H new ATOM 0 HG22 ILE A 82 25.113 1.668 7.402 1.00 14.22 H new ATOM 0 HG23 ILE A 82 24.482 3.319 7.607 1.00 14.22 H new ATOM 0 HD11 ILE A 82 20.295 3.043 7.751 1.00 75.31 H new ATOM 0 HD12 ILE A 82 20.943 1.391 7.618 1.00 75.31 H new ATOM 0 HD13 ILE A 82 21.800 2.607 8.594 1.00 75.31 H new ATOM 1159 N GLN A 83 26.376 2.003 5.399 1.00 32.13 N ATOM 1160 CA GLN A 83 27.608 1.233 5.273 1.00 10.44 C ATOM 1161 C GLN A 83 28.212 0.944 6.644 1.00 55.12 C ATOM 1162 O GLN A 83 27.874 1.595 7.632 1.00 71.32 O ATOM 1163 CB GLN A 83 28.618 1.987 4.407 1.00 64.12 C ATOM 1164 CG GLN A 83 29.076 3.304 5.012 1.00 51.33 C ATOM 1165 CD GLN A 83 28.834 4.484 4.091 1.00 4.31 C ATOM 1166 OE1 GLN A 83 27.806 4.561 3.419 1.00 51.55 O ATOM 1167 NE2 GLN A 83 29.784 5.412 4.056 1.00 13.22 N ATOM 0 H GLN A 83 26.461 2.846 5.967 1.00 32.13 H new ATOM 0 HA GLN A 83 27.367 0.284 4.795 1.00 10.44 H new ATOM 0 HB2 GLN A 83 29.488 1.351 4.241 1.00 64.12 H new ATOM 0 HB3 GLN A 83 28.174 2.180 3.431 1.00 64.12 H new ATOM 0 HG2 GLN A 83 28.552 3.469 5.953 1.00 51.33 H new ATOM 0 HG3 GLN A 83 30.139 3.242 5.246 1.00 51.33 H new ATOM 0 HE21 GLN A 83 30.620 5.307 4.630 1.00 13.22 H new ATOM 0 HE22 GLN A 83 29.677 6.229 3.455 1.00 13.22 H new ATOM 1176 N GLY A 84 29.107 -0.038 6.696 1.00 52.43 N ATOM 1177 CA GLY A 84 29.743 -0.396 7.950 1.00 73.21 C ATOM 1178 C GLY A 84 31.254 -0.308 7.880 1.00 43.24 C ATOM 1179 O GLY A 84 31.851 -0.581 6.838 1.00 22.44 O ATOM 0 H GLY A 84 29.403 -0.592 5.892 1.00 52.43 H new ATOM 0 HA2 GLY A 84 29.380 0.263 8.739 1.00 73.21 H new ATOM 0 HA3 GLY A 84 29.454 -1.411 8.224 1.00 73.21 H new ATOM 1183 N SER A 85 31.875 0.077 8.990 1.00 3.20 N ATOM 1184 CA SER A 85 33.327 0.207 9.049 1.00 74.55 C ATOM 1185 C SER A 85 33.881 -0.454 10.308 1.00 55.45 C ATOM 1186 O SER A 85 33.341 -0.283 11.402 1.00 63.24 O ATOM 1187 CB SER A 85 33.730 1.682 9.013 1.00 61.21 C ATOM 1188 OG SER A 85 33.487 2.307 10.261 1.00 3.30 O ATOM 0 H SER A 85 31.396 0.305 9.861 1.00 3.20 H new ATOM 0 HA SER A 85 33.748 -0.298 8.180 1.00 74.55 H new ATOM 0 HB2 SER A 85 34.787 1.768 8.759 1.00 61.21 H new ATOM 0 HB3 SER A 85 33.172 2.196 8.230 1.00 61.21 H new ATOM 0 HG SER A 85 33.754 3.249 10.213 1.00 3.30 H new ATOM 1194 N THR A 86 34.962 -1.209 10.145 1.00 22.40 N ATOM 1195 CA THR A 86 35.590 -1.897 11.266 1.00 13.14 C ATOM 1196 C THR A 86 37.107 -1.763 11.214 1.00 63.34 C ATOM 1197 O THR A 86 37.701 -1.739 10.135 1.00 14.51 O ATOM 1198 CB THR A 86 35.218 -3.391 11.288 1.00 33.54 C ATOM 1199 OG1 THR A 86 36.038 -4.087 12.234 1.00 44.32 O ATOM 1200 CG2 THR A 86 35.387 -4.012 9.910 1.00 50.43 C ATOM 0 H THR A 86 35.421 -1.360 9.247 1.00 22.40 H new ATOM 0 HA THR A 86 35.218 -1.424 12.175 1.00 13.14 H new ATOM 0 HB THR A 86 34.172 -3.477 11.582 1.00 33.54 H new ATOM 0 HG1 THR A 86 35.597 -4.090 13.109 1.00 44.32 H new ATOM 0 HG21 THR A 86 35.118 -5.068 9.951 1.00 50.43 H new ATOM 0 HG22 THR A 86 34.739 -3.500 9.198 1.00 50.43 H new ATOM 0 HG23 THR A 86 36.425 -3.914 9.592 1.00 50.43 H new ATOM 1208 N ASP A 87 37.730 -1.678 12.384 1.00 61.31 N ATOM 1209 CA ASP A 87 39.180 -1.549 12.471 1.00 60.02 C ATOM 1210 C ASP A 87 39.805 -2.817 13.043 1.00 23.34 C ATOM 1211 O ASP A 87 39.418 -3.284 14.115 1.00 10.40 O ATOM 1212 CB ASP A 87 39.555 -0.345 13.336 1.00 22.02 C ATOM 1213 CG ASP A 87 40.992 -0.403 13.817 1.00 34.05 C ATOM 1214 OD1 ASP A 87 41.898 -0.533 12.968 1.00 73.33 O ATOM 1215 OD2 ASP A 87 41.210 -0.317 15.044 1.00 71.31 O ATOM 0 H ASP A 87 37.254 -1.696 13.286 1.00 61.31 H new ATOM 0 HA ASP A 87 39.568 -1.397 11.464 1.00 60.02 H new ATOM 0 HB2 ASP A 87 39.403 0.571 12.765 1.00 22.02 H new ATOM 0 HB3 ASP A 87 38.888 -0.298 14.197 1.00 22.02 H new ATOM 1220 N PHE A 88 40.774 -3.371 12.321 1.00 34.45 N ATOM 1221 CA PHE A 88 41.451 -4.587 12.756 1.00 23.24 C ATOM 1222 C PHE A 88 42.964 -4.387 12.782 1.00 72.42 C ATOM 1223 O PHE A 88 43.594 -4.191 11.742 1.00 15.53 O ATOM 1224 CB PHE A 88 41.095 -5.753 11.832 1.00 21.53 C ATOM 1225 CG PHE A 88 39.690 -6.253 12.012 1.00 51.24 C ATOM 1226 CD1 PHE A 88 39.182 -6.493 13.278 1.00 24.24 C ATOM 1227 CD2 PHE A 88 38.876 -6.481 10.914 1.00 63.23 C ATOM 1228 CE1 PHE A 88 37.890 -6.953 13.446 1.00 61.41 C ATOM 1229 CE2 PHE A 88 37.583 -6.941 11.075 1.00 12.01 C ATOM 1230 CZ PHE A 88 37.089 -7.176 12.343 1.00 31.41 C ATOM 0 H PHE A 88 41.108 -2.997 11.433 1.00 34.45 H new ATOM 0 HA PHE A 88 41.115 -4.818 13.767 1.00 23.24 H new ATOM 0 HB2 PHE A 88 41.231 -5.440 10.797 1.00 21.53 H new ATOM 0 HB3 PHE A 88 41.790 -6.573 12.011 1.00 21.53 H new ATOM 0 HD1 PHE A 88 39.803 -6.319 14.144 1.00 24.24 H new ATOM 0 HD2 PHE A 88 39.257 -6.297 9.920 1.00 63.23 H new ATOM 0 HE1 PHE A 88 37.507 -7.138 14.439 1.00 61.41 H new ATOM 0 HE2 PHE A 88 36.960 -7.116 10.211 1.00 12.01 H new ATOM 0 HZ PHE A 88 36.078 -7.534 12.472 1.00 31.41 H new ATOM 1240 N LYS A 89 43.541 -4.439 13.977 1.00 3.24 N ATOM 1241 CA LYS A 89 44.980 -4.264 14.141 1.00 73.50 C ATOM 1242 C LYS A 89 45.651 -5.587 14.497 1.00 60.00 C ATOM 1243 O LYS A 89 45.392 -6.161 15.555 1.00 62.22 O ATOM 1244 CB LYS A 89 45.268 -3.225 15.227 1.00 60.41 C ATOM 1245 CG LYS A 89 45.257 -1.794 14.718 1.00 62.52 C ATOM 1246 CD LYS A 89 46.531 -1.058 15.098 1.00 52.25 C ATOM 1247 CE LYS A 89 46.452 -0.500 16.510 1.00 32.04 C ATOM 1248 NZ LYS A 89 46.507 0.988 16.523 1.00 1.01 N ATOM 0 H LYS A 89 43.034 -4.601 14.847 1.00 3.24 H new ATOM 0 HA LYS A 89 45.389 -3.912 13.194 1.00 73.50 H new ATOM 0 HB2 LYS A 89 44.527 -3.325 16.020 1.00 60.41 H new ATOM 0 HB3 LYS A 89 46.241 -3.436 15.671 1.00 60.41 H new ATOM 0 HG2 LYS A 89 45.145 -1.793 13.634 1.00 62.52 H new ATOM 0 HG3 LYS A 89 44.395 -1.267 15.128 1.00 62.52 H new ATOM 0 HD2 LYS A 89 47.381 -1.736 15.021 1.00 52.25 H new ATOM 0 HD3 LYS A 89 46.707 -0.245 14.394 1.00 52.25 H new ATOM 0 HE2 LYS A 89 45.527 -0.833 16.981 1.00 32.04 H new ATOM 0 HE3 LYS A 89 47.274 -0.899 17.104 1.00 32.04 H new ATOM 0 HZ1 LYS A 89 46.450 1.329 17.504 1.00 1.01 H new ATOM 0 HZ2 LYS A 89 47.401 1.306 16.097 1.00 1.01 H new ATOM 0 HZ3 LYS A 89 45.708 1.370 15.977 1.00 1.01 H new ATOM 1262 N VAL A 90 46.516 -6.065 13.608 1.00 53.14 N ATOM 1263 CA VAL A 90 47.226 -7.319 13.829 1.00 3.44 C ATOM 1264 C VAL A 90 48.680 -7.066 14.214 1.00 14.23 C ATOM 1265 O VAL A 90 49.407 -6.364 13.511 1.00 24.10 O ATOM 1266 CB VAL A 90 47.187 -8.215 12.578 1.00 73.33 C ATOM 1267 CG1 VAL A 90 47.658 -7.445 11.354 1.00 54.24 C ATOM 1268 CG2 VAL A 90 48.031 -9.463 12.790 1.00 74.02 C ATOM 0 H VAL A 90 46.742 -5.602 12.728 1.00 53.14 H new ATOM 0 HA VAL A 90 46.719 -7.830 14.648 1.00 3.44 H new ATOM 0 HB VAL A 90 46.156 -8.526 12.407 1.00 73.33 H new ATOM 0 HG11 VAL A 90 47.623 -8.095 10.480 1.00 54.24 H new ATOM 0 HG12 VAL A 90 47.008 -6.585 11.193 1.00 54.24 H new ATOM 0 HG13 VAL A 90 48.681 -7.102 11.511 1.00 54.24 H new ATOM 0 HG21 VAL A 90 47.992 -10.085 11.896 1.00 74.02 H new ATOM 0 HG22 VAL A 90 49.064 -9.175 12.987 1.00 74.02 H new ATOM 0 HG23 VAL A 90 47.643 -10.025 13.640 1.00 74.02 H new ATOM 1278 N THR A 91 49.098 -7.643 15.337 1.00 51.14 N ATOM 1279 CA THR A 91 50.464 -7.480 15.816 1.00 24.14 C ATOM 1280 C THR A 91 51.083 -8.825 16.181 1.00 41.15 C ATOM 1281 O THR A 91 50.375 -9.770 16.526 1.00 20.14 O ATOM 1282 CB THR A 91 50.522 -6.552 17.044 1.00 32.15 C ATOM 1283 OG1 THR A 91 49.689 -7.068 18.088 1.00 35.52 O ATOM 1284 CG2 THR A 91 50.074 -5.145 16.681 1.00 51.45 C ATOM 0 H THR A 91 48.509 -8.227 15.931 1.00 51.14 H new ATOM 0 HA THR A 91 51.032 -7.030 15.002 1.00 24.14 H new ATOM 0 HB THR A 91 51.555 -6.510 17.391 1.00 32.15 H new ATOM 0 HG1 THR A 91 49.733 -6.473 18.866 1.00 35.52 H new ATOM 0 HG21 THR A 91 50.124 -4.508 17.564 1.00 51.45 H new ATOM 0 HG22 THR A 91 50.728 -4.743 15.907 1.00 51.45 H new ATOM 0 HG23 THR A 91 49.049 -5.174 16.311 1.00 51.45 H new ATOM 1292 N GLN A 92 52.408 -8.903 16.101 1.00 55.42 N ATOM 1293 CA GLN A 92 53.121 -10.133 16.422 1.00 33.15 C ATOM 1294 C GLN A 92 54.266 -9.861 17.392 1.00 11.12 C ATOM 1295 O GLN A 92 54.052 -9.708 18.595 1.00 33.14 O ATOM 1296 CB GLN A 92 53.660 -10.783 15.147 1.00 22.12 C ATOM 1297 CG GLN A 92 54.553 -11.986 15.408 1.00 51.40 C ATOM 1298 CD GLN A 92 56.026 -11.664 15.251 1.00 10.21 C ATOM 1299 OE1 GLN A 92 56.684 -11.233 16.199 1.00 74.21 O ATOM 1300 NE2 GLN A 92 56.553 -11.872 14.050 1.00 10.41 N ATOM 0 H GLN A 92 53.008 -8.129 15.817 1.00 55.42 H new ATOM 0 HA GLN A 92 52.419 -10.816 16.900 1.00 33.15 H new ATOM 0 HB2 GLN A 92 52.821 -11.092 14.524 1.00 22.12 H new ATOM 0 HB3 GLN A 92 54.221 -10.040 14.580 1.00 22.12 H new ATOM 0 HG2 GLN A 92 54.371 -12.356 16.417 1.00 51.40 H new ATOM 0 HG3 GLN A 92 54.285 -12.789 14.721 1.00 51.40 H new ATOM 0 HE21 GLN A 92 55.971 -12.230 13.293 1.00 10.41 H new ATOM 0 HE22 GLN A 92 57.540 -11.674 13.885 1.00 10.41 H new