USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 652 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 69 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 70 GLN : amide:sc= -2.21 K(o=-2.2,f=-4.8!) USER MOD Set 2.1: A 43 HIS : no HD1:sc= -1.21 X(o=-2.7,f=-2.3) USER MOD Set 2.2: A 46 THR OG1 : rot -110:sc= -1.45 USER MOD Set 3.1: A 18 TYR OH : rot 165:sc= 0.767 USER MOD Set 3.2: A 55 TYR OH : rot 28:sc= 1.12 USER MOD Single : A 1 SER N :NH3+ -131:sc= 0.0339 (180deg=-1.53) USER MOD Single : A 1 SER OG : rot 180:sc= 0.114 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -48:sc= 0.064 USER MOD Single : A 12 GLN : amide:sc= -5.58! C(o=-5.6!,f=-9.4!) USER MOD Single : A 15 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.157) USER MOD Single : A 16 LYS NZ :NH3+ -99:sc= 0 (180deg=-0.201) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -34:sc= 0.188 USER MOD Single : A 37 ASN : amide:sc= -0.523 X(o=-0.52,f=-0.46) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.735 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 170:sc= -0.287 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot -160:sc= -0.995 USER MOD Single : A 63 GLN : amide:sc= -0.988 K(o=-0.99,f=-0.31) USER MOD Single : A 64 THR OG1 : rot 45:sc= 0.0663 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= -0.644 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 5.874 1.297 -1.973 1.00 13.25 N ATOM 2 CA SER A 1 5.401 0.520 -3.112 1.00 42.14 C ATOM 3 C SER A 1 4.257 1.238 -3.822 1.00 62.33 C ATOM 4 O SER A 1 3.101 0.819 -3.771 1.00 34.20 O ATOM 5 CB SER A 1 4.944 -0.867 -2.657 1.00 14.24 C ATOM 6 OG SER A 1 4.303 -0.803 -1.394 1.00 63.20 O ATOM 0 H1 SER A 1 6.911 1.372 -2.010 1.00 13.25 H new ATOM 0 H2 SER A 1 5.457 2.249 -2.005 1.00 13.25 H new ATOM 0 H3 SER A 1 5.593 0.825 -1.090 1.00 13.25 H new ATOM 0 HA SER A 1 6.228 0.409 -3.813 1.00 42.14 H new ATOM 0 HB2 SER A 1 4.261 -1.288 -3.394 1.00 14.24 H new ATOM 0 HB3 SER A 1 5.803 -1.536 -2.599 1.00 14.24 H new ATOM 0 HG SER A 1 4.019 -1.702 -1.126 1.00 63.20 H new ATOM 12 N PRO A 2 4.586 2.346 -4.502 1.00 3.42 N ATOM 13 CA PRO A 2 3.602 3.146 -5.236 1.00 54.40 C ATOM 14 C PRO A 2 3.076 2.426 -6.473 1.00 51.31 C ATOM 15 O PRO A 2 3.773 1.605 -7.070 1.00 0.43 O ATOM 16 CB PRO A 2 4.389 4.396 -5.639 1.00 20.22 C ATOM 17 CG PRO A 2 5.811 3.952 -5.676 1.00 33.02 C ATOM 18 CD PRO A 2 5.945 2.904 -4.606 1.00 63.10 C ATOM 0 HA PRO A 2 2.719 3.358 -4.633 1.00 54.40 H new ATOM 0 HB2 PRO A 2 4.066 4.771 -6.610 1.00 20.22 H new ATOM 0 HB3 PRO A 2 4.245 5.203 -4.921 1.00 20.22 H new ATOM 0 HG2 PRO A 2 6.068 3.546 -6.654 1.00 33.02 H new ATOM 0 HG3 PRO A 2 6.486 4.788 -5.491 1.00 33.02 H new ATOM 0 HD2 PRO A 2 6.673 2.140 -4.880 1.00 63.10 H new ATOM 0 HD3 PRO A 2 6.276 3.335 -3.661 1.00 63.10 H new ATOM 26 N LYS A 3 1.842 2.739 -6.854 1.00 61.13 N ATOM 27 CA LYS A 3 1.222 2.123 -8.022 1.00 4.42 C ATOM 28 C LYS A 3 1.436 2.979 -9.266 1.00 41.51 C ATOM 29 O LYS A 3 1.507 4.206 -9.184 1.00 53.23 O ATOM 30 CB LYS A 3 -0.275 1.919 -7.782 1.00 31.34 C ATOM 31 CG LYS A 3 -1.086 3.200 -7.872 1.00 32.40 C ATOM 32 CD LYS A 3 -1.987 3.376 -6.661 1.00 74.42 C ATOM 33 CE LYS A 3 -3.014 4.475 -6.886 1.00 35.31 C ATOM 34 NZ LYS A 3 -2.484 5.815 -6.510 1.00 73.51 N ATOM 0 H LYS A 3 1.251 3.416 -6.371 1.00 61.13 H new ATOM 0 HA LYS A 3 1.693 1.154 -8.184 1.00 4.42 H new ATOM 0 HB2 LYS A 3 -0.657 1.205 -8.511 1.00 31.34 H new ATOM 0 HB3 LYS A 3 -0.419 1.476 -6.797 1.00 31.34 H new ATOM 0 HG2 LYS A 3 -0.412 4.053 -7.953 1.00 32.40 H new ATOM 0 HG3 LYS A 3 -1.692 3.185 -8.778 1.00 32.40 H new ATOM 0 HD2 LYS A 3 -2.498 2.437 -6.447 1.00 74.42 H new ATOM 0 HD3 LYS A 3 -1.381 3.616 -5.787 1.00 74.42 H new ATOM 0 HE2 LYS A 3 -3.313 4.484 -7.934 1.00 35.31 H new ATOM 0 HE3 LYS A 3 -3.909 4.261 -6.301 1.00 35.31 H new ATOM 0 HZ1 LYS A 3 -3.214 6.537 -6.678 1.00 73.51 H new ATOM 0 HZ2 LYS A 3 -2.222 5.815 -5.503 1.00 73.51 H new ATOM 0 HZ3 LYS A 3 -1.645 6.031 -7.086 1.00 73.51 H new ATOM 48 N THR A 4 1.537 2.325 -10.419 1.00 41.20 N ATOM 49 CA THR A 4 1.742 3.026 -11.680 1.00 41.22 C ATOM 50 C THR A 4 0.644 2.688 -12.682 1.00 40.10 C ATOM 51 O THR A 4 0.053 1.609 -12.628 1.00 51.23 O ATOM 52 CB THR A 4 3.110 2.681 -12.299 1.00 31.11 C ATOM 53 OG1 THR A 4 3.883 1.906 -11.376 1.00 63.33 O ATOM 54 CG2 THR A 4 3.871 3.945 -12.670 1.00 13.05 C ATOM 0 H THR A 4 1.480 1.310 -10.505 1.00 41.20 H new ATOM 0 HA THR A 4 1.711 4.092 -11.457 1.00 41.22 H new ATOM 0 HB THR A 4 2.938 2.101 -13.206 1.00 31.11 H new ATOM 0 HG1 THR A 4 4.750 1.689 -11.777 1.00 63.33 H new ATOM 0 HG21 THR A 4 4.833 3.676 -13.105 1.00 13.05 H new ATOM 0 HG22 THR A 4 3.293 4.518 -13.395 1.00 13.05 H new ATOM 0 HG23 THR A 4 4.033 4.548 -11.776 1.00 13.05 H new ATOM 62 N ILE A 5 0.377 3.616 -13.595 1.00 35.40 N ATOM 63 CA ILE A 5 -0.650 3.414 -14.610 1.00 62.02 C ATOM 64 C ILE A 5 -0.129 2.551 -15.754 1.00 71.33 C ATOM 65 O ILE A 5 0.962 2.784 -16.276 1.00 22.12 O ATOM 66 CB ILE A 5 -1.149 4.755 -15.180 1.00 33.21 C ATOM 67 CG1 ILE A 5 -1.600 5.679 -14.047 1.00 2.11 C ATOM 68 CG2 ILE A 5 -2.286 4.522 -16.164 1.00 64.32 C ATOM 69 CD1 ILE A 5 -0.872 7.005 -14.023 1.00 22.22 C ATOM 0 H ILE A 5 0.857 4.514 -13.653 1.00 35.40 H new ATOM 0 HA ILE A 5 -1.481 2.904 -14.122 1.00 62.02 H new ATOM 0 HB ILE A 5 -0.327 5.236 -15.711 1.00 33.21 H new ATOM 0 HG12 ILE A 5 -2.670 5.863 -14.143 1.00 2.11 H new ATOM 0 HG13 ILE A 5 -1.448 5.173 -13.094 1.00 2.11 H new ATOM 0 HG21 ILE A 5 -2.628 5.479 -16.558 1.00 64.32 H new ATOM 0 HG22 ILE A 5 -1.935 3.896 -16.984 1.00 64.32 H new ATOM 0 HG23 ILE A 5 -3.111 4.024 -15.655 1.00 64.32 H new ATOM 0 HD11 ILE A 5 -1.243 7.609 -13.194 1.00 22.22 H new ATOM 0 HD12 ILE A 5 0.197 6.831 -13.896 1.00 22.22 H new ATOM 0 HD13 ILE A 5 -1.045 7.532 -14.961 1.00 22.22 H new ATOM 81 N LEU A 6 -0.917 1.554 -16.142 1.00 31.13 N ATOM 82 CA LEU A 6 -0.537 0.656 -17.227 1.00 32.44 C ATOM 83 C LEU A 6 -1.443 0.851 -18.438 1.00 51.10 C ATOM 84 O LEU A 6 -1.102 0.454 -19.551 1.00 73.04 O ATOM 85 CB LEU A 6 -0.601 -0.799 -16.757 1.00 13.20 C ATOM 86 CG LEU A 6 0.624 -1.659 -17.067 1.00 62.03 C ATOM 87 CD1 LEU A 6 1.115 -2.362 -15.811 1.00 41.31 C ATOM 88 CD2 LEU A 6 0.303 -2.672 -18.156 1.00 72.13 C ATOM 0 H LEU A 6 -1.823 1.347 -15.721 1.00 31.13 H new ATOM 0 HA LEU A 6 0.486 0.893 -17.520 1.00 32.44 H new ATOM 0 HB2 LEU A 6 -0.761 -0.805 -15.679 1.00 13.20 H new ATOM 0 HB3 LEU A 6 -1.474 -1.268 -17.211 1.00 13.20 H new ATOM 0 HG LEU A 6 1.419 -1.007 -17.428 1.00 62.03 H new ATOM 0 HD11 LEU A 6 1.988 -2.969 -16.052 1.00 41.31 H new ATOM 0 HD12 LEU A 6 1.386 -1.619 -15.061 1.00 41.31 H new ATOM 0 HD13 LEU A 6 0.324 -3.002 -15.419 1.00 41.31 H new ATOM 0 HD21 LEU A 6 1.187 -3.275 -18.364 1.00 72.13 H new ATOM 0 HD22 LEU A 6 -0.508 -3.319 -17.823 1.00 72.13 H new ATOM 0 HD23 LEU A 6 0.000 -2.148 -19.063 1.00 72.13 H new ATOM 100 N GLY A 7 -2.599 1.468 -18.213 1.00 12.32 N ATOM 101 CA GLY A 7 -3.535 1.708 -19.295 1.00 74.14 C ATOM 102 C GLY A 7 -4.119 3.106 -19.258 1.00 40.44 C ATOM 103 O GLY A 7 -4.288 3.687 -18.186 1.00 12.12 O ATOM 0 H GLY A 7 -2.904 1.806 -17.300 1.00 12.32 H new ATOM 0 HA2 GLY A 7 -3.030 1.554 -20.249 1.00 74.14 H new ATOM 0 HA3 GLY A 7 -4.343 0.979 -19.240 1.00 74.14 H new ATOM 107 N ILE A 8 -4.426 3.649 -20.432 1.00 23.02 N ATOM 108 CA ILE A 8 -4.993 4.988 -20.529 1.00 1.23 C ATOM 109 C ILE A 8 -6.163 5.020 -21.506 1.00 41.42 C ATOM 110 O ILE A 8 -6.167 4.306 -22.508 1.00 65.00 O ATOM 111 CB ILE A 8 -3.937 6.016 -20.976 1.00 24.11 C ATOM 112 CG1 ILE A 8 -4.546 7.418 -21.024 1.00 53.51 C ATOM 113 CG2 ILE A 8 -3.367 5.633 -22.334 1.00 2.24 C ATOM 114 CD1 ILE A 8 -3.560 8.492 -21.427 1.00 53.45 C ATOM 0 H ILE A 8 -4.291 3.182 -21.329 1.00 23.02 H new ATOM 0 HA ILE A 8 -5.347 5.253 -19.533 1.00 1.23 H new ATOM 0 HB ILE A 8 -3.124 6.019 -20.250 1.00 24.11 H new ATOM 0 HG12 ILE A 8 -5.379 7.419 -21.726 1.00 53.51 H new ATOM 0 HG13 ILE A 8 -4.955 7.661 -20.043 1.00 53.51 H new ATOM 0 HG21 ILE A 8 -2.622 6.369 -22.637 1.00 2.24 H new ATOM 0 HG22 ILE A 8 -2.900 4.650 -22.269 1.00 2.24 H new ATOM 0 HG23 ILE A 8 -4.170 5.605 -23.071 1.00 2.24 H new ATOM 0 HD11 ILE A 8 -4.061 9.460 -21.440 1.00 53.45 H new ATOM 0 HD12 ILE A 8 -2.738 8.518 -20.711 1.00 53.45 H new ATOM 0 HD13 ILE A 8 -3.169 8.273 -22.421 1.00 53.45 H new ATOM 126 N GLU A 9 -7.153 5.855 -21.208 1.00 14.30 N ATOM 127 CA GLU A 9 -8.329 5.981 -22.062 1.00 2.02 C ATOM 128 C GLU A 9 -8.720 7.446 -22.237 1.00 64.33 C ATOM 129 O GLU A 9 -8.909 8.171 -21.261 1.00 24.24 O ATOM 130 CB GLU A 9 -9.502 5.196 -21.471 1.00 41.02 C ATOM 131 CG GLU A 9 -9.960 4.038 -22.342 1.00 42.54 C ATOM 132 CD GLU A 9 -10.290 2.797 -21.537 1.00 14.13 C ATOM 133 OE1 GLU A 9 -10.989 2.926 -20.509 1.00 64.02 O ATOM 134 OE2 GLU A 9 -9.851 1.697 -21.933 1.00 51.50 O ATOM 0 H GLU A 9 -7.165 6.454 -20.383 1.00 14.30 H new ATOM 0 HA GLU A 9 -8.082 5.569 -23.041 1.00 2.02 H new ATOM 0 HB2 GLU A 9 -9.215 4.812 -20.492 1.00 41.02 H new ATOM 0 HB3 GLU A 9 -10.340 5.875 -21.314 1.00 41.02 H new ATOM 0 HG2 GLU A 9 -10.839 4.342 -22.911 1.00 42.54 H new ATOM 0 HG3 GLU A 9 -9.179 3.801 -23.064 1.00 42.54 H new ATOM 141 N VAL A 10 -8.838 7.874 -23.490 1.00 14.30 N ATOM 142 CA VAL A 10 -9.207 9.252 -23.795 1.00 60.40 C ATOM 143 C VAL A 10 -10.700 9.479 -23.589 1.00 12.42 C ATOM 144 O VAL A 10 -11.524 8.650 -23.975 1.00 12.40 O ATOM 145 CB VAL A 10 -8.837 9.624 -25.243 1.00 51.01 C ATOM 146 CG1 VAL A 10 -9.453 8.636 -26.222 1.00 42.45 C ATOM 147 CG2 VAL A 10 -9.280 11.045 -25.557 1.00 1.11 C ATOM 0 H VAL A 10 -8.684 7.287 -24.310 1.00 14.30 H new ATOM 0 HA VAL A 10 -8.648 9.889 -23.110 1.00 60.40 H new ATOM 0 HB VAL A 10 -7.753 9.574 -25.347 1.00 51.01 H new ATOM 0 HG11 VAL A 10 -9.181 8.915 -27.240 1.00 42.45 H new ATOM 0 HG12 VAL A 10 -9.082 7.633 -26.009 1.00 42.45 H new ATOM 0 HG13 VAL A 10 -10.538 8.651 -26.120 1.00 42.45 H new ATOM 0 HG21 VAL A 10 -9.011 11.291 -26.584 1.00 1.11 H new ATOM 0 HG22 VAL A 10 -10.360 11.124 -25.436 1.00 1.11 H new ATOM 0 HG23 VAL A 10 -8.787 11.739 -24.876 1.00 1.11 H new ATOM 157 N SER A 11 -11.042 10.609 -22.978 1.00 11.31 N ATOM 158 CA SER A 11 -12.437 10.945 -22.717 1.00 42.50 C ATOM 159 C SER A 11 -12.649 12.456 -22.763 1.00 34.41 C ATOM 160 O SER A 11 -13.651 12.967 -22.263 1.00 21.11 O ATOM 161 CB SER A 11 -12.869 10.399 -21.355 1.00 1.32 C ATOM 162 OG SER A 11 -14.277 10.254 -21.287 1.00 61.20 O ATOM 0 H SER A 11 -10.372 11.307 -22.655 1.00 11.31 H new ATOM 0 HA SER A 11 -13.048 10.486 -23.494 1.00 42.50 H new ATOM 0 HB2 SER A 11 -12.392 9.435 -21.178 1.00 1.32 H new ATOM 0 HB3 SER A 11 -12.531 11.071 -20.566 1.00 1.32 H new ATOM 0 HG SER A 11 -14.706 11.075 -21.608 1.00 61.20 H new ATOM 168 N GLN A 12 -11.699 13.162 -23.366 1.00 53.43 N ATOM 169 CA GLN A 12 -11.782 14.614 -23.477 1.00 64.01 C ATOM 170 C GLN A 12 -12.549 15.022 -24.731 1.00 23.44 C ATOM 171 O GLN A 12 -12.270 14.534 -25.826 1.00 1.35 O ATOM 172 CB GLN A 12 -10.380 15.225 -23.501 1.00 44.14 C ATOM 173 CG GLN A 12 -9.485 14.653 -24.589 1.00 72.23 C ATOM 174 CD GLN A 12 -8.134 14.213 -24.062 1.00 62.52 C ATOM 175 OE1 GLN A 12 -7.644 13.135 -24.401 1.00 25.13 O ATOM 176 NE2 GLN A 12 -7.523 15.046 -23.228 1.00 51.23 N ATOM 0 H GLN A 12 -10.864 12.753 -23.785 1.00 53.43 H new ATOM 0 HA GLN A 12 -12.320 14.990 -22.607 1.00 64.01 H new ATOM 0 HB2 GLN A 12 -10.465 16.303 -23.641 1.00 44.14 H new ATOM 0 HB3 GLN A 12 -9.907 15.066 -22.532 1.00 44.14 H new ATOM 0 HG2 GLN A 12 -9.984 13.803 -25.054 1.00 72.23 H new ATOM 0 HG3 GLN A 12 -9.341 15.403 -25.367 1.00 72.23 H new ATOM 0 HE21 GLN A 12 -7.966 15.929 -22.974 1.00 51.23 H new ATOM 0 HE22 GLN A 12 -6.611 14.803 -22.841 1.00 51.23 H new ATOM 185 N GLU A 13 -13.516 15.918 -24.561 1.00 61.15 N ATOM 186 CA GLU A 13 -14.324 16.389 -25.680 1.00 44.42 C ATOM 187 C GLU A 13 -13.942 17.816 -26.064 1.00 1.34 C ATOM 188 O GLU A 13 -13.440 18.592 -25.249 1.00 60.44 O ATOM 189 CB GLU A 13 -15.811 16.325 -25.327 1.00 0.10 C ATOM 190 CG GLU A 13 -16.520 15.107 -25.896 1.00 5.15 C ATOM 191 CD GLU A 13 -17.992 15.358 -26.158 1.00 43.31 C ATOM 192 OE1 GLU A 13 -18.655 15.961 -25.288 1.00 25.13 O ATOM 193 OE2 GLU A 13 -18.481 14.953 -27.233 1.00 21.41 O ATOM 0 H GLU A 13 -13.759 16.332 -23.661 1.00 61.15 H new ATOM 0 HA GLU A 13 -14.132 15.738 -26.533 1.00 44.42 H new ATOM 0 HB2 GLU A 13 -15.919 16.324 -24.242 1.00 0.10 H new ATOM 0 HB3 GLU A 13 -16.302 17.226 -25.695 1.00 0.10 H new ATOM 0 HG2 GLU A 13 -16.035 14.810 -26.826 1.00 5.15 H new ATOM 0 HG3 GLU A 13 -16.415 14.273 -25.202 1.00 5.15 H new ATOM 200 N PRO A 14 -14.184 18.172 -27.334 1.00 13.11 N ATOM 201 CA PRO A 14 -13.874 19.507 -27.855 1.00 61.42 C ATOM 202 C PRO A 14 -14.787 20.582 -27.277 1.00 34.24 C ATOM 203 O PRO A 14 -16.009 20.428 -27.256 1.00 1.31 O ATOM 204 CB PRO A 14 -14.106 19.362 -29.361 1.00 64.23 C ATOM 205 CG PRO A 14 -15.083 18.245 -29.489 1.00 20.34 C ATOM 206 CD PRO A 14 -14.781 17.299 -28.359 1.00 45.21 C ATOM 0 HA PRO A 14 -12.864 19.822 -27.593 1.00 61.42 H new ATOM 0 HB2 PRO A 14 -14.499 20.283 -29.791 1.00 64.23 H new ATOM 0 HB3 PRO A 14 -13.177 19.137 -29.885 1.00 64.23 H new ATOM 0 HG2 PRO A 14 -16.107 18.613 -29.427 1.00 20.34 H new ATOM 0 HG3 PRO A 14 -14.982 17.746 -30.453 1.00 20.34 H new ATOM 0 HD2 PRO A 14 -15.683 16.809 -27.993 1.00 45.21 H new ATOM 0 HD3 PRO A 14 -14.093 16.512 -28.667 1.00 45.21 H new ATOM 214 N LYS A 15 -14.188 21.671 -26.808 1.00 32.04 N ATOM 215 CA LYS A 15 -14.947 22.774 -26.230 1.00 33.31 C ATOM 216 C LYS A 15 -14.058 23.995 -26.020 1.00 11.13 C ATOM 217 O LYS A 15 -14.032 24.907 -26.847 1.00 22.23 O ATOM 218 CB LYS A 15 -15.571 22.349 -24.899 1.00 21.54 C ATOM 219 CG LYS A 15 -16.223 23.491 -24.140 1.00 12.30 C ATOM 220 CD LYS A 15 -17.681 23.194 -23.829 1.00 44.11 C ATOM 221 CE LYS A 15 -18.607 23.787 -24.880 1.00 23.10 C ATOM 222 NZ LYS A 15 -18.670 22.942 -26.104 1.00 65.43 N ATOM 0 H LYS A 15 -13.178 21.814 -26.817 1.00 32.04 H new ATOM 0 HA LYS A 15 -15.741 23.040 -26.928 1.00 33.31 H new ATOM 0 HB2 LYS A 15 -16.317 21.577 -25.087 1.00 21.54 H new ATOM 0 HB3 LYS A 15 -14.800 21.901 -24.272 1.00 21.54 H new ATOM 0 HG2 LYS A 15 -15.681 23.668 -23.211 1.00 12.30 H new ATOM 0 HG3 LYS A 15 -16.155 24.406 -24.728 1.00 12.30 H new ATOM 0 HD2 LYS A 15 -17.831 22.116 -23.777 1.00 44.11 H new ATOM 0 HD3 LYS A 15 -17.935 23.598 -22.849 1.00 44.11 H new ATOM 0 HE2 LYS A 15 -19.608 23.896 -24.462 1.00 23.10 H new ATOM 0 HE3 LYS A 15 -18.262 24.786 -25.146 1.00 23.10 H new ATOM 0 HZ1 LYS A 15 -19.578 23.098 -26.587 1.00 65.43 H new ATOM 0 HZ2 LYS A 15 -17.890 23.197 -26.743 1.00 65.43 H new ATOM 0 HZ3 LYS A 15 -18.586 21.940 -25.839 1.00 65.43 H new ATOM 236 N LYS A 16 -13.329 24.007 -24.909 1.00 33.43 N ATOM 237 CA LYS A 16 -12.436 25.114 -24.590 1.00 51.24 C ATOM 238 C LYS A 16 -13.099 26.453 -24.896 1.00 54.24 C ATOM 239 O LYS A 16 -12.643 27.199 -25.763 1.00 2.21 O ATOM 240 CB LYS A 16 -11.131 24.987 -25.380 1.00 12.12 C ATOM 241 CG LYS A 16 -10.188 23.932 -24.829 1.00 64.13 C ATOM 242 CD LYS A 16 -8.917 23.834 -25.656 1.00 43.24 C ATOM 243 CE LYS A 16 -8.785 22.470 -26.317 1.00 2.25 C ATOM 244 NZ LYS A 16 -7.786 21.612 -25.622 1.00 4.12 N ATOM 0 H LYS A 16 -13.340 23.261 -24.214 1.00 33.43 H new ATOM 0 HA LYS A 16 -12.214 25.074 -23.524 1.00 51.24 H new ATOM 0 HB2 LYS A 16 -11.366 24.747 -26.417 1.00 12.12 H new ATOM 0 HB3 LYS A 16 -10.622 25.951 -25.383 1.00 12.12 H new ATOM 0 HG2 LYS A 16 -9.934 24.173 -23.797 1.00 64.13 H new ATOM 0 HG3 LYS A 16 -10.690 22.965 -24.816 1.00 64.13 H new ATOM 0 HD2 LYS A 16 -8.918 24.611 -26.420 1.00 43.24 H new ATOM 0 HD3 LYS A 16 -8.052 24.016 -25.018 1.00 43.24 H new ATOM 0 HE2 LYS A 16 -9.754 21.971 -26.318 1.00 2.25 H new ATOM 0 HE3 LYS A 16 -8.492 22.598 -27.359 1.00 2.25 H new ATOM 0 HZ1 LYS A 16 -6.882 21.646 -26.136 1.00 4.12 H new ATOM 0 HZ2 LYS A 16 -7.646 21.959 -24.652 1.00 4.12 H new ATOM 0 HZ3 LYS A 16 -8.131 20.631 -25.593 1.00 4.12 H new ATOM 258 N ASP A 17 -14.177 26.752 -24.179 1.00 60.03 N ATOM 259 CA ASP A 17 -14.901 28.003 -24.373 1.00 34.33 C ATOM 260 C ASP A 17 -14.906 28.832 -23.092 1.00 31.40 C ATOM 261 O ASP A 17 -15.311 28.353 -22.032 1.00 52.03 O ATOM 262 CB ASP A 17 -16.337 27.722 -24.818 1.00 73.42 C ATOM 263 CG ASP A 17 -16.920 28.853 -25.643 1.00 23.33 C ATOM 264 OD1 ASP A 17 -17.417 29.828 -25.043 1.00 13.30 O ATOM 265 OD2 ASP A 17 -16.879 28.762 -26.888 1.00 5.02 O ATOM 0 H ASP A 17 -14.569 26.145 -23.459 1.00 60.03 H new ATOM 0 HA ASP A 17 -14.392 28.572 -25.151 1.00 34.33 H new ATOM 0 HB2 ASP A 17 -16.360 26.802 -25.401 1.00 73.42 H new ATOM 0 HB3 ASP A 17 -16.961 27.558 -23.939 1.00 73.42 H new ATOM 270 N TYR A 18 -14.452 30.076 -23.197 1.00 34.50 N ATOM 271 CA TYR A 18 -14.401 30.970 -22.047 1.00 22.14 C ATOM 272 C TYR A 18 -14.678 32.411 -22.464 1.00 34.10 C ATOM 273 O TYR A 18 -14.400 32.806 -23.597 1.00 14.30 O ATOM 274 CB TYR A 18 -13.035 30.879 -21.364 1.00 61.01 C ATOM 275 CG TYR A 18 -11.872 30.912 -22.330 1.00 11.10 C ATOM 276 CD1 TYR A 18 -11.576 32.062 -23.052 1.00 71.20 C ATOM 277 CD2 TYR A 18 -11.070 29.794 -22.521 1.00 71.13 C ATOM 278 CE1 TYR A 18 -10.515 32.097 -23.936 1.00 71.32 C ATOM 279 CE2 TYR A 18 -10.006 29.820 -23.402 1.00 53.21 C ATOM 280 CZ TYR A 18 -9.733 30.974 -24.107 1.00 61.43 C ATOM 281 OH TYR A 18 -8.675 31.003 -24.987 1.00 0.42 O ATOM 0 H TYR A 18 -14.114 30.488 -24.067 1.00 34.50 H new ATOM 0 HA TYR A 18 -15.173 30.660 -21.343 1.00 22.14 H new ATOM 0 HB2 TYR A 18 -12.935 31.704 -20.659 1.00 61.01 H new ATOM 0 HB3 TYR A 18 -12.989 29.957 -20.784 1.00 61.01 H new ATOM 0 HD1 TYR A 18 -12.186 32.943 -22.920 1.00 71.20 H new ATOM 0 HD2 TYR A 18 -11.282 28.889 -21.971 1.00 71.13 H new ATOM 0 HE1 TYR A 18 -10.299 32.999 -24.490 1.00 71.32 H new ATOM 0 HE2 TYR A 18 -9.392 28.942 -23.538 1.00 53.21 H new ATOM 0 HH TYR A 18 -8.090 30.235 -24.820 1.00 0.42 H new ATOM 291 N LEU A 19 -15.228 33.192 -21.540 1.00 61.24 N ATOM 292 CA LEU A 19 -15.543 34.590 -21.810 1.00 53.32 C ATOM 293 C LEU A 19 -14.334 35.482 -21.548 1.00 22.24 C ATOM 294 O LEU A 19 -13.475 35.156 -20.728 1.00 60.52 O ATOM 295 CB LEU A 19 -16.722 35.043 -20.947 1.00 11.41 C ATOM 296 CG LEU A 19 -16.372 35.558 -19.550 1.00 54.33 C ATOM 297 CD1 LEU A 19 -17.616 36.077 -18.846 1.00 33.24 C ATOM 298 CD2 LEU A 19 -15.709 34.463 -18.728 1.00 74.54 C ATOM 0 H LEU A 19 -15.465 32.881 -20.598 1.00 61.24 H new ATOM 0 HA LEU A 19 -15.815 34.679 -22.862 1.00 53.32 H new ATOM 0 HB2 LEU A 19 -17.255 35.830 -21.480 1.00 11.41 H new ATOM 0 HB3 LEU A 19 -17.412 34.206 -20.842 1.00 11.41 H new ATOM 0 HG LEU A 19 -15.667 36.383 -19.654 1.00 54.33 H new ATOM 0 HD11 LEU A 19 -17.348 36.439 -17.854 1.00 33.24 H new ATOM 0 HD12 LEU A 19 -18.048 36.893 -19.426 1.00 33.24 H new ATOM 0 HD13 LEU A 19 -18.345 35.272 -18.754 1.00 33.24 H new ATOM 0 HD21 LEU A 19 -15.467 34.848 -17.737 1.00 74.54 H new ATOM 0 HD22 LEU A 19 -16.390 33.617 -18.633 1.00 74.54 H new ATOM 0 HD23 LEU A 19 -14.794 34.139 -19.224 1.00 74.54 H new ATOM 310 N VAL A 20 -14.274 36.610 -22.247 1.00 41.44 N ATOM 311 CA VAL A 20 -13.172 37.551 -22.088 1.00 5.32 C ATOM 312 C VAL A 20 -12.958 37.904 -20.620 1.00 61.40 C ATOM 313 O VAL A 20 -13.915 38.062 -19.863 1.00 43.01 O ATOM 314 CB VAL A 20 -13.419 38.846 -22.884 1.00 40.14 C ATOM 315 CG1 VAL A 20 -13.555 38.542 -24.369 1.00 12.34 C ATOM 316 CG2 VAL A 20 -14.655 39.564 -22.363 1.00 63.12 C ATOM 0 H VAL A 20 -14.976 36.895 -22.930 1.00 41.44 H new ATOM 0 HA VAL A 20 -12.279 37.060 -22.475 1.00 5.32 H new ATOM 0 HB VAL A 20 -12.561 39.504 -22.749 1.00 40.14 H new ATOM 0 HG11 VAL A 20 -13.729 39.469 -24.916 1.00 12.34 H new ATOM 0 HG12 VAL A 20 -12.639 38.074 -24.730 1.00 12.34 H new ATOM 0 HG13 VAL A 20 -14.394 37.865 -24.526 1.00 12.34 H new ATOM 0 HG21 VAL A 20 -14.814 40.477 -22.937 1.00 63.12 H new ATOM 0 HG22 VAL A 20 -15.524 38.914 -22.466 1.00 63.12 H new ATOM 0 HG23 VAL A 20 -14.513 39.816 -21.312 1.00 63.12 H new ATOM 326 N GLY A 21 -11.694 38.025 -20.224 1.00 14.50 N ATOM 327 CA GLY A 21 -11.377 38.359 -18.848 1.00 33.14 C ATOM 328 C GLY A 21 -11.018 37.138 -18.023 1.00 40.55 C ATOM 329 O GLY A 21 -10.327 37.247 -17.010 1.00 72.22 O ATOM 0 H GLY A 21 -10.885 37.898 -20.832 1.00 14.50 H new ATOM 0 HA2 GLY A 21 -10.545 39.063 -18.831 1.00 33.14 H new ATOM 0 HA3 GLY A 21 -12.230 38.863 -18.394 1.00 33.14 H new ATOM 333 N ASP A 22 -11.489 35.974 -18.457 1.00 45.41 N ATOM 334 CA ASP A 22 -11.213 34.728 -17.752 1.00 33.11 C ATOM 335 C ASP A 22 -10.627 33.686 -18.699 1.00 75.43 C ATOM 336 O ASP A 22 -11.100 32.550 -18.758 1.00 3.33 O ATOM 337 CB ASP A 22 -12.491 34.189 -17.108 1.00 34.42 C ATOM 338 CG ASP A 22 -12.213 33.385 -15.853 1.00 64.30 C ATOM 339 OD1 ASP A 22 -11.467 33.882 -14.984 1.00 25.10 O ATOM 340 OD2 ASP A 22 -12.740 32.258 -15.740 1.00 42.04 O ATOM 0 H ASP A 22 -12.063 35.867 -19.293 1.00 45.41 H new ATOM 0 HA ASP A 22 -10.481 34.935 -16.971 1.00 33.11 H new ATOM 0 HB2 ASP A 22 -13.150 35.022 -16.864 1.00 34.42 H new ATOM 0 HB3 ASP A 22 -13.021 33.564 -17.827 1.00 34.42 H new ATOM 345 N SER A 23 -9.597 34.080 -19.440 1.00 62.33 N ATOM 346 CA SER A 23 -8.949 33.181 -20.389 1.00 14.01 C ATOM 347 C SER A 23 -8.545 31.875 -19.711 1.00 41.40 C ATOM 348 O SER A 23 -8.429 31.808 -18.487 1.00 22.24 O ATOM 349 CB SER A 23 -7.719 33.853 -21.002 1.00 73.12 C ATOM 350 OG SER A 23 -6.705 34.044 -20.031 1.00 60.41 O ATOM 0 H SER A 23 -9.193 35.016 -19.402 1.00 62.33 H new ATOM 0 HA SER A 23 -9.662 32.953 -21.181 1.00 14.01 H new ATOM 0 HB2 SER A 23 -7.335 33.241 -21.818 1.00 73.12 H new ATOM 0 HB3 SER A 23 -8.002 34.814 -21.431 1.00 73.12 H new ATOM 0 HG SER A 23 -5.929 34.473 -20.448 1.00 60.41 H new ATOM 356 N LEU A 24 -8.332 30.840 -20.516 1.00 4.14 N ATOM 357 CA LEU A 24 -7.940 29.535 -19.995 1.00 63.22 C ATOM 358 C LEU A 24 -8.973 29.011 -19.003 1.00 54.40 C ATOM 359 O LEU A 24 -8.862 29.238 -17.798 1.00 71.01 O ATOM 360 CB LEU A 24 -6.569 29.623 -19.322 1.00 61.32 C ATOM 361 CG LEU A 24 -5.386 29.098 -20.137 1.00 51.53 C ATOM 362 CD1 LEU A 24 -4.236 30.094 -20.111 1.00 35.45 C ATOM 363 CD2 LEU A 24 -4.934 27.744 -19.611 1.00 10.22 C ATOM 0 H LEU A 24 -8.424 30.879 -21.531 1.00 4.14 H new ATOM 0 HA LEU A 24 -7.883 28.840 -20.833 1.00 63.22 H new ATOM 0 HB2 LEU A 24 -6.377 30.666 -19.070 1.00 61.32 H new ATOM 0 HB3 LEU A 24 -6.611 29.071 -18.383 1.00 61.32 H new ATOM 0 HG LEU A 24 -5.709 28.974 -21.171 1.00 51.53 H new ATOM 0 HD11 LEU A 24 -3.403 29.704 -20.696 1.00 35.45 H new ATOM 0 HD12 LEU A 24 -4.566 31.042 -20.537 1.00 35.45 H new ATOM 0 HD13 LEU A 24 -3.914 30.251 -19.082 1.00 35.45 H new ATOM 0 HD21 LEU A 24 -4.092 27.386 -20.203 1.00 10.22 H new ATOM 0 HD22 LEU A 24 -4.630 27.842 -18.569 1.00 10.22 H new ATOM 0 HD23 LEU A 24 -5.757 27.032 -19.684 1.00 10.22 H new ATOM 375 N ASP A 25 -9.977 28.309 -19.517 1.00 42.25 N ATOM 376 CA ASP A 25 -11.029 27.750 -18.676 1.00 41.25 C ATOM 377 C ASP A 25 -11.646 26.516 -19.327 1.00 12.02 C ATOM 378 O ASP A 25 -12.813 26.527 -19.721 1.00 34.35 O ATOM 379 CB ASP A 25 -12.111 28.798 -18.413 1.00 12.33 C ATOM 380 CG ASP A 25 -12.831 28.569 -17.098 1.00 43.31 C ATOM 381 OD1 ASP A 25 -12.704 27.460 -16.538 1.00 53.44 O ATOM 382 OD2 ASP A 25 -13.521 29.499 -16.629 1.00 61.23 O ATOM 0 H ASP A 25 -10.084 28.114 -20.512 1.00 42.25 H new ATOM 0 HA ASP A 25 -10.583 27.453 -17.727 1.00 41.25 H new ATOM 0 HB2 ASP A 25 -11.659 29.790 -18.408 1.00 12.33 H new ATOM 0 HB3 ASP A 25 -12.835 28.781 -19.228 1.00 12.33 H new ATOM 387 N LEU A 26 -10.856 25.454 -19.437 1.00 42.25 N ATOM 388 CA LEU A 26 -11.324 24.211 -20.041 1.00 41.43 C ATOM 389 C LEU A 26 -11.681 23.186 -18.970 1.00 4.01 C ATOM 390 O LEU A 26 -10.870 22.879 -18.096 1.00 12.44 O ATOM 391 CB LEU A 26 -10.255 23.640 -20.974 1.00 43.22 C ATOM 392 CG LEU A 26 -10.506 22.225 -21.496 1.00 42.11 C ATOM 393 CD1 LEU A 26 -11.618 22.228 -22.533 1.00 13.10 C ATOM 394 CD2 LEU A 26 -9.230 21.638 -22.082 1.00 43.50 C ATOM 0 H LEU A 26 -9.888 25.428 -19.116 1.00 42.25 H new ATOM 0 HA LEU A 26 -12.221 24.432 -20.619 1.00 41.43 H new ATOM 0 HB2 LEU A 26 -10.153 24.308 -21.829 1.00 43.22 H new ATOM 0 HB3 LEU A 26 -9.300 23.648 -20.448 1.00 43.22 H new ATOM 0 HG LEU A 26 -10.819 21.600 -20.659 1.00 42.11 H new ATOM 0 HD11 LEU A 26 -11.782 21.212 -22.893 1.00 13.10 H new ATOM 0 HD12 LEU A 26 -12.535 22.606 -22.082 1.00 13.10 H new ATOM 0 HD13 LEU A 26 -11.334 22.868 -23.369 1.00 13.10 H new ATOM 0 HD21 LEU A 26 -9.428 20.631 -22.448 1.00 43.50 H new ATOM 0 HD22 LEU A 26 -8.887 22.263 -22.906 1.00 43.50 H new ATOM 0 HD23 LEU A 26 -8.460 21.599 -21.311 1.00 43.50 H new ATOM 406 N SER A 27 -12.898 22.658 -19.046 1.00 20.33 N ATOM 407 CA SER A 27 -13.363 21.667 -18.081 1.00 41.55 C ATOM 408 C SER A 27 -14.113 20.538 -18.781 1.00 51.33 C ATOM 409 O SER A 27 -14.741 19.702 -18.133 1.00 71.33 O ATOM 410 CB SER A 27 -14.267 22.326 -17.038 1.00 53.10 C ATOM 411 OG SER A 27 -15.364 22.979 -17.653 1.00 51.22 O ATOM 0 H SER A 27 -13.580 22.899 -19.765 1.00 20.33 H new ATOM 0 HA SER A 27 -12.491 21.245 -17.581 1.00 41.55 H new ATOM 0 HB2 SER A 27 -14.633 21.572 -16.341 1.00 53.10 H new ATOM 0 HB3 SER A 27 -13.691 23.046 -16.456 1.00 53.10 H new ATOM 0 HG SER A 27 -15.927 23.391 -16.965 1.00 51.22 H new ATOM 417 N GLU A 28 -14.042 20.523 -20.109 1.00 32.33 N ATOM 418 CA GLU A 28 -14.715 19.497 -20.897 1.00 14.11 C ATOM 419 C GLU A 28 -13.717 18.465 -21.413 1.00 30.32 C ATOM 420 O GLU A 28 -14.095 17.363 -21.808 1.00 32.45 O ATOM 421 CB GLU A 28 -15.461 20.133 -22.072 1.00 11.11 C ATOM 422 CG GLU A 28 -16.916 20.450 -21.770 1.00 32.43 C ATOM 423 CD GLU A 28 -17.877 19.657 -22.634 1.00 34.21 C ATOM 424 OE1 GLU A 28 -17.606 18.463 -22.880 1.00 70.30 O ATOM 425 OE2 GLU A 28 -18.900 20.230 -23.064 1.00 70.41 O ATOM 0 H GLU A 28 -13.526 21.209 -20.661 1.00 32.33 H new ATOM 0 HA GLU A 28 -15.433 18.991 -20.251 1.00 14.11 H new ATOM 0 HB2 GLU A 28 -14.950 21.052 -22.361 1.00 11.11 H new ATOM 0 HB3 GLU A 28 -15.415 19.460 -22.928 1.00 11.11 H new ATOM 0 HG2 GLU A 28 -17.119 20.240 -20.720 1.00 32.43 H new ATOM 0 HG3 GLU A 28 -17.091 21.515 -21.922 1.00 32.43 H new ATOM 432 N GLY A 29 -12.439 18.831 -21.407 1.00 1.33 N ATOM 433 CA GLY A 29 -11.406 17.927 -21.877 1.00 4.24 C ATOM 434 C GLY A 29 -10.748 17.161 -20.746 1.00 60.33 C ATOM 435 O GLY A 29 -9.649 17.505 -20.311 1.00 62.53 O ATOM 0 H GLY A 29 -12.101 19.738 -21.085 1.00 1.33 H new ATOM 0 HA2 GLY A 29 -11.840 17.221 -22.586 1.00 4.24 H new ATOM 0 HA3 GLY A 29 -10.648 18.495 -22.416 1.00 4.24 H new ATOM 439 N ARG A 30 -11.422 16.120 -20.268 1.00 54.11 N ATOM 440 CA ARG A 30 -10.898 15.305 -19.179 1.00 61.22 C ATOM 441 C ARG A 30 -10.528 13.910 -19.674 1.00 65.33 C ATOM 442 O ARG A 30 -11.144 13.384 -20.601 1.00 54.43 O ATOM 443 CB ARG A 30 -11.926 15.201 -18.051 1.00 25.02 C ATOM 444 CG ARG A 30 -13.067 14.244 -18.353 1.00 21.45 C ATOM 445 CD ARG A 30 -14.418 14.883 -18.076 1.00 14.32 C ATOM 446 NE ARG A 30 -15.524 13.972 -18.360 1.00 43.11 N ATOM 447 CZ ARG A 30 -16.798 14.346 -18.377 1.00 34.41 C ATOM 448 NH1 ARG A 30 -17.127 15.606 -18.128 1.00 23.34 N ATOM 449 NH2 ARG A 30 -17.748 13.458 -18.644 1.00 63.12 N ATOM 0 H ARG A 30 -12.332 15.821 -20.618 1.00 54.11 H new ATOM 0 HA ARG A 30 -9.998 15.788 -18.798 1.00 61.22 H new ATOM 0 HB2 ARG A 30 -11.422 14.876 -17.141 1.00 25.02 H new ATOM 0 HB3 ARG A 30 -12.336 16.191 -17.853 1.00 25.02 H new ATOM 0 HG2 ARG A 30 -13.017 13.934 -19.397 1.00 21.45 H new ATOM 0 HG3 ARG A 30 -12.958 13.344 -17.748 1.00 21.45 H new ATOM 0 HD2 ARG A 30 -14.464 15.195 -17.033 1.00 14.32 H new ATOM 0 HD3 ARG A 30 -14.525 15.782 -18.682 1.00 14.32 H new ATOM 0 HE ARG A 30 -15.306 12.995 -18.556 1.00 43.11 H new ATOM 0 HH11 ARG A 30 -16.400 16.292 -17.923 1.00 23.34 H new ATOM 0 HH12 ARG A 30 -18.107 15.890 -18.142 1.00 23.34 H new ATOM 0 HH21 ARG A 30 -17.500 12.488 -18.836 1.00 63.12 H new ATOM 0 HH22 ARG A 30 -18.726 13.746 -18.657 1.00 63.12 H new ATOM 463 N PHE A 31 -9.516 13.315 -19.050 1.00 50.32 N ATOM 464 CA PHE A 31 -9.062 11.982 -19.428 1.00 71.00 C ATOM 465 C PHE A 31 -9.159 11.020 -18.248 1.00 31.32 C ATOM 466 O PHE A 31 -9.012 11.420 -17.093 1.00 71.34 O ATOM 467 CB PHE A 31 -7.621 12.036 -19.939 1.00 1.50 C ATOM 468 CG PHE A 31 -6.747 12.983 -19.167 1.00 42.45 C ATOM 469 CD1 PHE A 31 -6.678 14.323 -19.515 1.00 31.11 C ATOM 470 CD2 PHE A 31 -5.993 12.534 -18.095 1.00 73.21 C ATOM 471 CE1 PHE A 31 -5.875 15.197 -18.807 1.00 0.13 C ATOM 472 CE2 PHE A 31 -5.189 13.403 -17.383 1.00 42.21 C ATOM 473 CZ PHE A 31 -5.129 14.736 -17.740 1.00 44.21 C ATOM 0 H PHE A 31 -8.995 13.735 -18.280 1.00 50.32 H new ATOM 0 HA PHE A 31 -9.709 11.618 -20.226 1.00 71.00 H new ATOM 0 HB2 PHE A 31 -7.190 11.036 -19.893 1.00 1.50 H new ATOM 0 HB3 PHE A 31 -7.627 12.332 -20.988 1.00 1.50 H new ATOM 0 HD1 PHE A 31 -7.259 14.688 -20.349 1.00 31.11 H new ATOM 0 HD2 PHE A 31 -6.034 11.492 -17.813 1.00 73.21 H new ATOM 0 HE1 PHE A 31 -5.831 16.239 -19.088 1.00 0.13 H new ATOM 0 HE2 PHE A 31 -4.608 13.040 -16.548 1.00 42.21 H new ATOM 0 HZ PHE A 31 -4.500 15.417 -17.186 1.00 44.21 H new ATOM 483 N ALA A 32 -9.408 9.749 -18.547 1.00 54.00 N ATOM 484 CA ALA A 32 -9.524 8.729 -17.512 1.00 62.03 C ATOM 485 C ALA A 32 -8.316 7.798 -17.522 1.00 10.12 C ATOM 486 O ALA A 32 -8.049 7.121 -18.515 1.00 34.24 O ATOM 487 CB ALA A 32 -10.807 7.933 -17.697 1.00 15.14 C ATOM 0 H ALA A 32 -9.533 9.401 -19.498 1.00 54.00 H new ATOM 0 HA ALA A 32 -9.557 9.230 -16.544 1.00 62.03 H new ATOM 0 HB1 ALA A 32 -10.880 7.175 -16.917 1.00 15.14 H new ATOM 0 HB2 ALA A 32 -11.664 8.604 -17.633 1.00 15.14 H new ATOM 0 HB3 ALA A 32 -10.797 7.449 -18.674 1.00 15.14 H new ATOM 493 N VAL A 33 -7.588 7.770 -16.410 1.00 63.11 N ATOM 494 CA VAL A 33 -6.408 6.922 -16.291 1.00 21.44 C ATOM 495 C VAL A 33 -6.681 5.725 -15.387 1.00 30.52 C ATOM 496 O VAL A 33 -7.358 5.846 -14.366 1.00 45.11 O ATOM 497 CB VAL A 33 -5.206 7.707 -15.734 1.00 43.30 C ATOM 498 CG1 VAL A 33 -5.133 7.572 -14.221 1.00 33.32 C ATOM 499 CG2 VAL A 33 -3.914 7.233 -16.382 1.00 42.45 C ATOM 0 H VAL A 33 -7.795 8.325 -15.579 1.00 63.11 H new ATOM 0 HA VAL A 33 -6.169 6.570 -17.295 1.00 21.44 H new ATOM 0 HB VAL A 33 -5.341 8.762 -15.974 1.00 43.30 H new ATOM 0 HG11 VAL A 33 -4.277 8.134 -13.846 1.00 33.32 H new ATOM 0 HG12 VAL A 33 -6.047 7.964 -13.776 1.00 33.32 H new ATOM 0 HG13 VAL A 33 -5.022 6.521 -13.954 1.00 33.32 H new ATOM 0 HG21 VAL A 33 -3.075 7.798 -15.977 1.00 42.45 H new ATOM 0 HG22 VAL A 33 -3.771 6.172 -16.175 1.00 42.45 H new ATOM 0 HG23 VAL A 33 -3.969 7.388 -17.460 1.00 42.45 H new ATOM 509 N ALA A 34 -6.150 4.568 -15.769 1.00 64.02 N ATOM 510 CA ALA A 34 -6.334 3.349 -14.992 1.00 62.30 C ATOM 511 C ALA A 34 -5.024 2.903 -14.351 1.00 63.24 C ATOM 512 O ALA A 34 -4.063 2.571 -15.046 1.00 71.32 O ATOM 513 CB ALA A 34 -6.897 2.242 -15.872 1.00 3.23 C ATOM 0 H ALA A 34 -5.589 4.450 -16.612 1.00 64.02 H new ATOM 0 HA ALA A 34 -7.045 3.561 -14.193 1.00 62.30 H new ATOM 0 HB1 ALA A 34 -7.029 1.337 -15.279 1.00 3.23 H new ATOM 0 HB2 ALA A 34 -7.859 2.554 -16.278 1.00 3.23 H new ATOM 0 HB3 ALA A 34 -6.206 2.041 -16.691 1.00 3.23 H new ATOM 519 N TYR A 35 -4.992 2.899 -13.023 1.00 65.45 N ATOM 520 CA TYR A 35 -3.798 2.497 -12.289 1.00 62.52 C ATOM 521 C TYR A 35 -3.658 0.977 -12.266 1.00 14.43 C ATOM 522 O TYR A 35 -4.652 0.251 -12.295 1.00 1.21 O ATOM 523 CB TYR A 35 -3.847 3.037 -10.859 1.00 43.53 C ATOM 524 CG TYR A 35 -3.660 4.535 -10.772 1.00 12.42 C ATOM 525 CD1 TYR A 35 -4.742 5.398 -10.899 1.00 1.32 C ATOM 526 CD2 TYR A 35 -2.403 5.088 -10.563 1.00 64.14 C ATOM 527 CE1 TYR A 35 -4.576 6.768 -10.820 1.00 74.43 C ATOM 528 CE2 TYR A 35 -2.228 6.456 -10.482 1.00 60.21 C ATOM 529 CZ TYR A 35 -3.318 7.291 -10.611 1.00 43.43 C ATOM 530 OH TYR A 35 -3.148 8.655 -10.532 1.00 64.34 O ATOM 0 H TYR A 35 -5.779 3.169 -12.433 1.00 65.45 H new ATOM 0 HA TYR A 35 -2.931 2.916 -12.799 1.00 62.52 H new ATOM 0 HB2 TYR A 35 -4.805 2.772 -10.412 1.00 43.53 H new ATOM 0 HB3 TYR A 35 -3.073 2.547 -10.268 1.00 43.53 H new ATOM 0 HD1 TYR A 35 -5.729 4.991 -11.062 1.00 1.32 H new ATOM 0 HD2 TYR A 35 -1.547 4.437 -10.462 1.00 64.14 H new ATOM 0 HE1 TYR A 35 -5.427 7.425 -10.921 1.00 74.43 H new ATOM 0 HE2 TYR A 35 -1.244 6.869 -10.319 1.00 60.21 H new ATOM 0 HH TYR A 35 -2.201 8.858 -10.381 1.00 64.34 H new ATOM 540 N SER A 36 -2.417 0.504 -12.212 1.00 54.42 N ATOM 541 CA SER A 36 -2.146 -0.928 -12.188 1.00 22.12 C ATOM 542 C SER A 36 -2.640 -1.553 -10.886 1.00 44.43 C ATOM 543 O SER A 36 -2.708 -2.774 -10.758 1.00 72.12 O ATOM 544 CB SER A 36 -0.647 -1.187 -12.355 1.00 34.52 C ATOM 545 OG SER A 36 -0.360 -2.574 -12.294 1.00 41.33 O ATOM 0 H SER A 36 -1.584 1.092 -12.184 1.00 54.42 H new ATOM 0 HA SER A 36 -2.682 -1.389 -13.018 1.00 22.12 H new ATOM 0 HB2 SER A 36 -0.309 -0.784 -13.310 1.00 34.52 H new ATOM 0 HB3 SER A 36 -0.095 -0.663 -11.575 1.00 34.52 H new ATOM 0 HG SER A 36 -0.976 -3.008 -11.668 1.00 41.33 H new ATOM 551 N ASN A 37 -2.982 -0.704 -9.923 1.00 13.33 N ATOM 552 CA ASN A 37 -3.469 -1.171 -8.630 1.00 34.00 C ATOM 553 C ASN A 37 -4.993 -1.246 -8.617 1.00 52.34 C ATOM 554 O ASN A 37 -5.619 -1.196 -7.558 1.00 63.02 O ATOM 555 CB ASN A 37 -2.984 -0.245 -7.513 1.00 42.43 C ATOM 556 CG ASN A 37 -3.238 -0.820 -6.133 1.00 55.43 C ATOM 557 OD1 ASN A 37 -3.902 -0.199 -5.303 1.00 12.22 O ATOM 558 ND2 ASN A 37 -2.710 -2.012 -5.883 1.00 11.24 N ATOM 0 H ASN A 37 -2.931 0.311 -10.013 1.00 13.33 H new ATOM 0 HA ASN A 37 -3.072 -2.172 -8.461 1.00 34.00 H new ATOM 0 HB2 ASN A 37 -1.917 -0.060 -7.636 1.00 42.43 H new ATOM 0 HB3 ASN A 37 -3.486 0.719 -7.600 1.00 42.43 H new ATOM 0 HD21 ASN A 37 -2.848 -2.450 -4.972 1.00 11.24 H new ATOM 0 HD22 ASN A 37 -2.167 -2.490 -6.602 1.00 11.24 H new ATOM 565 N ASP A 38 -5.584 -1.366 -9.801 1.00 42.12 N ATOM 566 CA ASP A 38 -7.034 -1.449 -9.927 1.00 72.42 C ATOM 567 C ASP A 38 -7.697 -0.164 -9.441 1.00 63.11 C ATOM 568 O ASP A 38 -8.379 -0.153 -8.416 1.00 25.15 O ATOM 569 CB ASP A 38 -7.568 -2.644 -9.136 1.00 33.14 C ATOM 570 CG ASP A 38 -6.697 -3.875 -9.287 1.00 62.31 C ATOM 571 OD1 ASP A 38 -6.828 -4.572 -10.315 1.00 64.52 O ATOM 572 OD2 ASP A 38 -5.883 -4.141 -8.378 1.00 33.30 O ATOM 0 H ASP A 38 -5.081 -1.408 -10.687 1.00 42.12 H new ATOM 0 HA ASP A 38 -7.275 -1.584 -10.981 1.00 72.42 H new ATOM 0 HB2 ASP A 38 -7.635 -2.377 -8.081 1.00 33.14 H new ATOM 0 HB3 ASP A 38 -8.579 -2.875 -9.471 1.00 33.14 H new ATOM 577 N THR A 39 -7.491 0.919 -10.184 1.00 10.34 N ATOM 578 CA THR A 39 -8.066 2.210 -9.828 1.00 1.34 C ATOM 579 C THR A 39 -8.268 3.081 -11.062 1.00 53.32 C ATOM 580 O THR A 39 -7.566 2.931 -12.061 1.00 62.23 O ATOM 581 CB THR A 39 -7.175 2.964 -8.822 1.00 70.01 C ATOM 582 OG1 THR A 39 -5.993 2.203 -8.549 1.00 41.41 O ATOM 583 CG2 THR A 39 -7.926 3.227 -7.525 1.00 44.24 C ATOM 0 H THR A 39 -6.930 0.927 -11.036 1.00 10.34 H new ATOM 0 HA THR A 39 -9.033 2.009 -9.366 1.00 1.34 H new ATOM 0 HB THR A 39 -6.897 3.921 -9.263 1.00 70.01 H new ATOM 0 HG1 THR A 39 -5.431 2.689 -7.910 1.00 41.41 H new ATOM 0 HG21 THR A 39 -7.277 3.760 -6.830 1.00 44.24 H new ATOM 0 HG22 THR A 39 -8.810 3.831 -7.732 1.00 44.24 H new ATOM 0 HG23 THR A 39 -8.230 2.279 -7.082 1.00 44.24 H new ATOM 591 N MET A 40 -9.233 3.993 -10.986 1.00 65.20 N ATOM 592 CA MET A 40 -9.525 4.890 -12.098 1.00 74.41 C ATOM 593 C MET A 40 -9.844 6.294 -11.595 1.00 25.13 C ATOM 594 O MET A 40 -10.598 6.463 -10.637 1.00 41.24 O ATOM 595 CB MET A 40 -10.699 4.352 -12.920 1.00 24.35 C ATOM 596 CG MET A 40 -10.336 4.032 -14.361 1.00 25.05 C ATOM 597 SD MET A 40 -11.613 3.079 -15.204 1.00 11.13 S ATOM 598 CE MET A 40 -12.069 4.210 -16.516 1.00 2.25 C ATOM 0 H MET A 40 -9.825 4.130 -10.167 1.00 65.20 H new ATOM 0 HA MET A 40 -8.640 4.942 -12.732 1.00 74.41 H new ATOM 0 HB2 MET A 40 -11.084 3.451 -12.442 1.00 24.35 H new ATOM 0 HB3 MET A 40 -11.505 5.086 -12.911 1.00 24.35 H new ATOM 0 HG2 MET A 40 -10.165 4.962 -14.903 1.00 25.05 H new ATOM 0 HG3 MET A 40 -9.400 3.474 -14.380 1.00 25.05 H new ATOM 0 HE1 MET A 40 -12.852 3.762 -17.127 1.00 2.25 H new ATOM 0 HE2 MET A 40 -12.435 5.141 -16.083 1.00 2.25 H new ATOM 0 HE3 MET A 40 -11.198 4.416 -17.138 1.00 2.25 H new ATOM 608 N GLU A 41 -9.263 7.297 -12.246 1.00 0.01 N ATOM 609 CA GLU A 41 -9.485 8.686 -11.862 1.00 41.21 C ATOM 610 C GLU A 41 -9.618 9.576 -13.094 1.00 52.43 C ATOM 611 O GLU A 41 -8.824 9.481 -14.030 1.00 15.13 O ATOM 612 CB GLU A 41 -8.337 9.185 -10.981 1.00 75.40 C ATOM 613 CG GLU A 41 -8.801 9.849 -9.696 1.00 14.41 C ATOM 614 CD GLU A 41 -8.310 11.278 -9.568 1.00 1.12 C ATOM 615 OE1 GLU A 41 -7.078 11.481 -9.544 1.00 2.10 O ATOM 616 OE2 GLU A 41 -9.156 12.193 -9.491 1.00 74.21 O ATOM 0 H GLU A 41 -8.636 7.174 -13.041 1.00 0.01 H new ATOM 0 HA GLU A 41 -10.416 8.735 -11.297 1.00 41.21 H new ATOM 0 HB2 GLU A 41 -7.689 8.344 -10.732 1.00 75.40 H new ATOM 0 HB3 GLU A 41 -7.735 9.894 -11.550 1.00 75.40 H new ATOM 0 HG2 GLU A 41 -9.890 9.838 -9.659 1.00 14.41 H new ATOM 0 HG3 GLU A 41 -8.447 9.269 -8.843 1.00 14.41 H new ATOM 623 N GLU A 42 -10.628 10.441 -13.086 1.00 73.32 N ATOM 624 CA GLU A 42 -10.866 11.347 -14.204 1.00 34.24 C ATOM 625 C GLU A 42 -10.766 12.802 -13.755 1.00 74.10 C ATOM 626 O GLU A 42 -11.254 13.168 -12.685 1.00 45.30 O ATOM 627 CB GLU A 42 -12.243 11.084 -14.817 1.00 52.35 C ATOM 628 CG GLU A 42 -13.398 11.456 -13.903 1.00 52.40 C ATOM 629 CD GLU A 42 -14.657 10.665 -14.202 1.00 1.24 C ATOM 630 OE1 GLU A 42 -15.112 10.692 -15.365 1.00 24.34 O ATOM 631 OE2 GLU A 42 -15.187 10.020 -13.273 1.00 51.13 O ATOM 0 H GLU A 42 -11.294 10.533 -12.319 1.00 73.32 H new ATOM 0 HA GLU A 42 -10.100 11.164 -14.957 1.00 34.24 H new ATOM 0 HB2 GLU A 42 -12.331 11.646 -15.747 1.00 52.35 H new ATOM 0 HB3 GLU A 42 -12.321 10.028 -15.075 1.00 52.35 H new ATOM 0 HG2 GLU A 42 -13.105 11.287 -12.867 1.00 52.40 H new ATOM 0 HG3 GLU A 42 -13.609 12.520 -14.006 1.00 52.40 H new ATOM 638 N HIS A 43 -10.131 13.627 -14.581 1.00 2.32 N ATOM 639 CA HIS A 43 -9.966 15.043 -14.270 1.00 33.11 C ATOM 640 C HIS A 43 -9.809 15.865 -15.546 1.00 34.42 C ATOM 641 O HIS A 43 -9.158 15.433 -16.497 1.00 55.34 O ATOM 642 CB HIS A 43 -8.752 15.250 -13.364 1.00 34.14 C ATOM 643 CG HIS A 43 -9.096 15.828 -12.025 1.00 61.32 C ATOM 644 ND1 HIS A 43 -8.412 15.510 -10.871 1.00 11.45 N ATOM 645 CD2 HIS A 43 -10.057 16.709 -11.662 1.00 3.14 C ATOM 646 CE1 HIS A 43 -8.939 16.170 -9.854 1.00 44.33 C ATOM 647 NE2 HIS A 43 -9.938 16.905 -10.308 1.00 0.34 N ATOM 0 H HIS A 43 -9.722 13.340 -15.470 1.00 2.32 H new ATOM 0 HA HIS A 43 -10.861 15.381 -13.748 1.00 33.11 H new ATOM 0 HB2 HIS A 43 -8.249 14.294 -13.220 1.00 34.14 H new ATOM 0 HB3 HIS A 43 -8.044 15.910 -13.865 1.00 34.14 H new ATOM 0 HD2 HIS A 43 -10.782 17.172 -12.315 1.00 3.14 H new ATOM 0 HE1 HIS A 43 -8.609 16.117 -8.827 1.00 44.33 H new ATOM 0 HE2 HIS A 43 -10.526 17.519 -9.744 1.00 0.34 H new ATOM 655 N SER A 44 -10.411 17.050 -15.558 1.00 63.13 N ATOM 656 CA SER A 44 -10.342 17.930 -16.719 1.00 25.00 C ATOM 657 C SER A 44 -9.326 19.046 -16.495 1.00 0.24 C ATOM 658 O SER A 44 -9.413 19.793 -15.520 1.00 3.51 O ATOM 659 CB SER A 44 -11.718 18.529 -17.014 1.00 0.11 C ATOM 660 OG SER A 44 -12.725 17.897 -16.243 1.00 72.23 O ATOM 0 H SER A 44 -10.952 17.423 -14.777 1.00 63.13 H new ATOM 0 HA SER A 44 -10.021 17.337 -17.575 1.00 25.00 H new ATOM 0 HB2 SER A 44 -11.707 19.597 -16.798 1.00 0.11 H new ATOM 0 HB3 SER A 44 -11.946 18.421 -18.074 1.00 0.11 H new ATOM 0 HG SER A 44 -13.563 18.398 -16.326 1.00 72.23 H new ATOM 666 N PHE A 45 -8.363 19.153 -17.404 1.00 60.11 N ATOM 667 CA PHE A 45 -7.329 20.177 -17.306 1.00 71.34 C ATOM 668 C PHE A 45 -6.757 20.238 -15.893 1.00 43.43 C ATOM 669 O PHE A 45 -6.418 21.312 -15.394 1.00 21.01 O ATOM 670 CB PHE A 45 -7.895 21.543 -17.699 1.00 75.35 C ATOM 671 CG PHE A 45 -6.838 22.568 -17.993 1.00 0.22 C ATOM 672 CD1 PHE A 45 -5.973 22.404 -19.063 1.00 11.32 C ATOM 673 CD2 PHE A 45 -6.708 23.696 -17.198 1.00 74.21 C ATOM 674 CE1 PHE A 45 -4.999 23.346 -19.336 1.00 11.33 C ATOM 675 CE2 PHE A 45 -5.737 24.641 -17.466 1.00 43.24 C ATOM 676 CZ PHE A 45 -4.880 24.466 -18.536 1.00 32.33 C ATOM 0 H PHE A 45 -8.277 18.543 -18.217 1.00 60.11 H new ATOM 0 HA PHE A 45 -6.525 19.914 -17.994 1.00 71.34 H new ATOM 0 HB2 PHE A 45 -8.530 21.425 -18.577 1.00 75.35 H new ATOM 0 HB3 PHE A 45 -8.531 21.909 -16.893 1.00 75.35 H new ATOM 0 HD1 PHE A 45 -6.061 21.530 -19.691 1.00 11.32 H new ATOM 0 HD2 PHE A 45 -7.374 23.838 -16.359 1.00 74.21 H new ATOM 0 HE1 PHE A 45 -4.332 23.207 -20.174 1.00 11.33 H new ATOM 0 HE2 PHE A 45 -5.648 25.516 -16.840 1.00 43.24 H new ATOM 0 HZ PHE A 45 -4.119 25.203 -18.746 1.00 32.33 H new ATOM 686 N THR A 46 -6.652 19.078 -15.252 1.00 40.43 N ATOM 687 CA THR A 46 -6.123 18.999 -13.897 1.00 1.23 C ATOM 688 C THR A 46 -4.784 18.271 -13.871 1.00 1.03 C ATOM 689 O THR A 46 -3.753 18.859 -13.545 1.00 2.44 O ATOM 690 CB THR A 46 -7.104 18.280 -12.952 1.00 21.12 C ATOM 691 OG1 THR A 46 -8.392 18.177 -13.569 1.00 10.22 O ATOM 692 CG2 THR A 46 -7.227 19.024 -11.631 1.00 23.03 C ATOM 0 H THR A 46 -6.927 18.180 -15.650 1.00 40.43 H new ATOM 0 HA THR A 46 -5.983 20.024 -13.552 1.00 1.23 H new ATOM 0 HB THR A 46 -6.716 17.281 -12.753 1.00 21.12 H new ATOM 0 HG1 THR A 46 -9.024 18.767 -13.108 1.00 10.22 H new ATOM 0 HG21 THR A 46 -7.925 18.497 -10.980 1.00 23.03 H new ATOM 0 HG22 THR A 46 -6.250 19.075 -11.150 1.00 23.03 H new ATOM 0 HG23 THR A 46 -7.594 20.034 -11.815 1.00 23.03 H new ATOM 700 N ASP A 47 -4.806 16.989 -14.217 1.00 34.33 N ATOM 701 CA ASP A 47 -3.593 16.180 -14.235 1.00 1.22 C ATOM 702 C ASP A 47 -2.521 16.828 -15.105 1.00 41.43 C ATOM 703 O ASP A 47 -2.823 17.415 -16.144 1.00 31.10 O ATOM 704 CB ASP A 47 -3.900 14.772 -14.747 1.00 13.04 C ATOM 705 CG ASP A 47 -3.426 13.693 -13.793 1.00 41.11 C ATOM 706 OD1 ASP A 47 -2.202 13.450 -13.733 1.00 11.20 O ATOM 707 OD2 ASP A 47 -4.278 13.092 -13.106 1.00 51.14 O ATOM 0 H ASP A 47 -5.651 16.487 -14.489 1.00 34.33 H new ATOM 0 HA ASP A 47 -3.216 16.113 -13.214 1.00 1.22 H new ATOM 0 HB2 ASP A 47 -4.974 14.671 -14.901 1.00 13.04 H new ATOM 0 HB3 ASP A 47 -3.424 14.630 -15.717 1.00 13.04 H new ATOM 712 N GLU A 48 -1.269 16.719 -14.673 1.00 64.10 N ATOM 713 CA GLU A 48 -0.153 17.297 -15.413 1.00 24.43 C ATOM 714 C GLU A 48 0.486 16.259 -16.332 1.00 10.21 C ATOM 715 O GLU A 48 1.644 16.392 -16.726 1.00 72.00 O ATOM 716 CB GLU A 48 0.896 17.852 -14.446 1.00 72.14 C ATOM 717 CG GLU A 48 1.218 19.319 -14.675 1.00 53.11 C ATOM 718 CD GLU A 48 1.690 20.016 -13.414 1.00 14.31 C ATOM 719 OE1 GLU A 48 1.070 19.805 -12.351 1.00 34.11 O ATOM 720 OE2 GLU A 48 2.680 20.774 -13.491 1.00 31.44 O ATOM 0 H GLU A 48 -1.002 16.236 -13.815 1.00 64.10 H new ATOM 0 HA GLU A 48 -0.539 18.111 -16.026 1.00 24.43 H new ATOM 0 HB2 GLU A 48 0.541 17.722 -13.424 1.00 72.14 H new ATOM 0 HB3 GLU A 48 1.812 17.268 -14.542 1.00 72.14 H new ATOM 0 HG2 GLU A 48 1.988 19.403 -15.442 1.00 53.11 H new ATOM 0 HG3 GLU A 48 0.332 19.826 -15.056 1.00 53.11 H new ATOM 727 N GLY A 49 -0.279 15.225 -16.669 1.00 62.00 N ATOM 728 CA GLY A 49 0.229 14.179 -17.538 1.00 54.52 C ATOM 729 C GLY A 49 0.217 14.584 -18.999 1.00 61.41 C ATOM 730 O GLY A 49 1.148 14.275 -19.744 1.00 33.14 O ATOM 0 H GLY A 49 -1.241 15.093 -16.356 1.00 62.00 H new ATOM 0 HA2 GLY A 49 1.247 13.927 -17.242 1.00 54.52 H new ATOM 0 HA3 GLY A 49 -0.372 13.279 -17.408 1.00 54.52 H new ATOM 734 N VAL A 50 -0.840 15.275 -19.412 1.00 14.21 N ATOM 735 CA VAL A 50 -0.970 15.722 -20.794 1.00 21.32 C ATOM 736 C VAL A 50 -0.430 17.137 -20.967 1.00 21.20 C ATOM 737 O VAL A 50 -0.580 17.981 -20.084 1.00 61.22 O ATOM 738 CB VAL A 50 -2.437 15.683 -21.261 1.00 11.21 C ATOM 739 CG1 VAL A 50 -3.019 14.290 -21.078 1.00 74.13 C ATOM 740 CG2 VAL A 50 -3.262 16.717 -20.510 1.00 52.42 C ATOM 0 H VAL A 50 -1.620 15.538 -18.809 1.00 14.21 H new ATOM 0 HA VAL A 50 -0.384 15.036 -21.405 1.00 21.32 H new ATOM 0 HB VAL A 50 -2.469 15.927 -22.323 1.00 11.21 H new ATOM 0 HG11 VAL A 50 -4.056 14.282 -21.413 1.00 74.13 H new ATOM 0 HG12 VAL A 50 -2.442 13.575 -21.665 1.00 74.13 H new ATOM 0 HG13 VAL A 50 -2.976 14.013 -20.025 1.00 74.13 H new ATOM 0 HG21 VAL A 50 -4.296 16.676 -20.852 1.00 52.42 H new ATOM 0 HG22 VAL A 50 -3.225 16.506 -19.441 1.00 52.42 H new ATOM 0 HG23 VAL A 50 -2.857 17.711 -20.697 1.00 52.42 H new ATOM 750 N GLU A 51 0.199 17.389 -22.111 1.00 74.30 N ATOM 751 CA GLU A 51 0.761 18.703 -22.399 1.00 64.34 C ATOM 752 C GLU A 51 0.164 19.282 -23.679 1.00 32.35 C ATOM 753 O GLU A 51 0.252 18.676 -24.747 1.00 21.21 O ATOM 754 CB GLU A 51 2.283 18.613 -22.530 1.00 23.23 C ATOM 755 CG GLU A 51 2.998 18.421 -21.202 1.00 54.33 C ATOM 756 CD GLU A 51 3.990 17.275 -21.234 1.00 34.23 C ATOM 757 OE1 GLU A 51 3.581 16.130 -20.947 1.00 22.11 O ATOM 758 OE2 GLU A 51 5.173 17.522 -21.545 1.00 3.05 O ATOM 0 H GLU A 51 0.332 16.701 -22.852 1.00 74.30 H new ATOM 0 HA GLU A 51 0.512 19.366 -21.570 1.00 64.34 H new ATOM 0 HB2 GLU A 51 2.534 17.784 -23.191 1.00 23.23 H new ATOM 0 HB3 GLU A 51 2.653 19.522 -23.004 1.00 23.23 H new ATOM 0 HG2 GLU A 51 3.520 19.341 -20.938 1.00 54.33 H new ATOM 0 HG3 GLU A 51 2.261 18.237 -20.420 1.00 54.33 H new ATOM 765 N ILE A 52 -0.445 20.457 -23.561 1.00 5.11 N ATOM 766 CA ILE A 52 -1.056 21.118 -24.707 1.00 12.20 C ATOM 767 C ILE A 52 -0.207 22.293 -25.182 1.00 33.42 C ATOM 768 O ILE A 52 0.330 23.051 -24.374 1.00 35.51 O ATOM 769 CB ILE A 52 -2.473 21.624 -24.375 1.00 45.03 C ATOM 770 CG1 ILE A 52 -3.472 20.466 -24.406 1.00 24.53 C ATOM 771 CG2 ILE A 52 -2.888 22.714 -25.352 1.00 3.43 C ATOM 772 CD1 ILE A 52 -3.289 19.481 -23.272 1.00 72.52 C ATOM 0 H ILE A 52 -0.528 20.970 -22.684 1.00 5.11 H new ATOM 0 HA ILE A 52 -1.121 20.375 -25.502 1.00 12.20 H new ATOM 0 HB ILE A 52 -2.466 22.046 -23.370 1.00 45.03 H new ATOM 0 HG12 ILE A 52 -4.484 20.869 -24.367 1.00 24.53 H new ATOM 0 HG13 ILE A 52 -3.375 19.938 -25.355 1.00 24.53 H new ATOM 0 HG21 ILE A 52 -3.891 23.062 -25.105 1.00 3.43 H new ATOM 0 HG22 ILE A 52 -2.189 23.547 -25.286 1.00 3.43 H new ATOM 0 HG23 ILE A 52 -2.882 22.315 -26.366 1.00 3.43 H new ATOM 0 HD11 ILE A 52 -4.031 18.687 -23.357 1.00 72.52 H new ATOM 0 HD12 ILE A 52 -2.289 19.050 -23.322 1.00 72.52 H new ATOM 0 HD13 ILE A 52 -3.415 19.995 -22.319 1.00 72.52 H new ATOM 784 N SER A 53 -0.092 22.438 -26.498 1.00 2.41 N ATOM 785 CA SER A 53 0.693 23.520 -27.081 1.00 65.22 C ATOM 786 C SER A 53 0.010 24.077 -28.326 1.00 12.41 C ATOM 787 O SER A 53 -0.776 23.390 -28.977 1.00 1.11 O ATOM 788 CB SER A 53 2.098 23.026 -27.435 1.00 35.42 C ATOM 789 OG SER A 53 3.066 23.571 -26.556 1.00 45.14 O ATOM 0 H SER A 53 -0.532 21.821 -27.180 1.00 2.41 H new ATOM 0 HA SER A 53 0.771 24.318 -26.342 1.00 65.22 H new ATOM 0 HB2 SER A 53 2.128 21.938 -27.384 1.00 35.42 H new ATOM 0 HB3 SER A 53 2.337 23.304 -28.462 1.00 35.42 H new ATOM 0 HG SER A 53 3.955 23.239 -26.802 1.00 45.14 H new ATOM 795 N GLY A 54 0.316 25.330 -28.651 1.00 15.14 N ATOM 796 CA GLY A 54 -0.277 25.960 -29.816 1.00 14.23 C ATOM 797 C GLY A 54 -1.251 27.062 -29.447 1.00 32.45 C ATOM 798 O GLY A 54 -1.617 27.884 -30.287 1.00 33.50 O ATOM 0 H GLY A 54 0.964 25.919 -28.128 1.00 15.14 H new ATOM 0 HA2 GLY A 54 0.513 26.373 -30.444 1.00 14.23 H new ATOM 0 HA3 GLY A 54 -0.794 25.206 -30.409 1.00 14.23 H new ATOM 802 N TYR A 55 -1.673 27.078 -28.187 1.00 54.02 N ATOM 803 CA TYR A 55 -2.614 28.084 -27.710 1.00 13.34 C ATOM 804 C TYR A 55 -1.893 29.382 -27.359 1.00 43.12 C ATOM 805 O TYR A 55 -0.792 29.364 -26.809 1.00 3.25 O ATOM 806 CB TYR A 55 -3.373 27.564 -26.488 1.00 34.11 C ATOM 807 CG TYR A 55 -4.166 28.631 -25.768 1.00 13.12 C ATOM 808 CD1 TYR A 55 -5.085 29.420 -26.449 1.00 12.04 C ATOM 809 CD2 TYR A 55 -3.997 28.850 -24.406 1.00 71.31 C ATOM 810 CE1 TYR A 55 -5.811 30.397 -25.795 1.00 31.42 C ATOM 811 CE2 TYR A 55 -4.720 29.823 -23.744 1.00 2.23 C ATOM 812 CZ TYR A 55 -5.625 30.594 -24.442 1.00 51.35 C ATOM 813 OH TYR A 55 -6.347 31.565 -23.787 1.00 54.22 O ATOM 0 H TYR A 55 -1.378 26.406 -27.478 1.00 54.02 H new ATOM 0 HA TYR A 55 -3.324 28.289 -28.511 1.00 13.34 H new ATOM 0 HB2 TYR A 55 -4.050 26.770 -26.802 1.00 34.11 H new ATOM 0 HB3 TYR A 55 -2.662 27.119 -25.791 1.00 34.11 H new ATOM 0 HD1 TYR A 55 -5.234 29.267 -27.508 1.00 12.04 H new ATOM 0 HD2 TYR A 55 -3.288 28.249 -23.856 1.00 71.31 H new ATOM 0 HE1 TYR A 55 -6.520 31.003 -26.340 1.00 31.42 H new ATOM 0 HE2 TYR A 55 -4.577 29.979 -22.685 1.00 2.23 H new ATOM 0 HH TYR A 55 -7.202 31.703 -24.246 1.00 54.22 H new ATOM 823 N ASP A 56 -2.522 30.507 -27.682 1.00 61.40 N ATOM 824 CA ASP A 56 -1.942 31.815 -27.401 1.00 33.15 C ATOM 825 C ASP A 56 -2.639 32.474 -26.215 1.00 14.24 C ATOM 826 O ASP A 56 -3.719 33.048 -26.357 1.00 4.10 O ATOM 827 CB ASP A 56 -2.042 32.716 -28.632 1.00 51.22 C ATOM 828 CG ASP A 56 -0.911 32.482 -29.614 1.00 73.54 C ATOM 829 OD1 ASP A 56 0.169 32.032 -29.179 1.00 31.05 O ATOM 830 OD2 ASP A 56 -1.106 32.748 -30.819 1.00 13.30 O ATOM 0 H ASP A 56 -3.434 30.539 -28.139 1.00 61.40 H new ATOM 0 HA ASP A 56 -0.891 31.673 -27.149 1.00 33.15 H new ATOM 0 HB2 ASP A 56 -2.995 32.540 -29.131 1.00 51.22 H new ATOM 0 HB3 ASP A 56 -2.035 33.759 -28.317 1.00 51.22 H new ATOM 835 N ALA A 57 -2.015 32.387 -25.045 1.00 32.25 N ATOM 836 CA ALA A 57 -2.575 32.975 -23.834 1.00 41.53 C ATOM 837 C ALA A 57 -2.957 34.435 -24.059 1.00 65.43 C ATOM 838 O ALA A 57 -3.886 34.945 -23.435 1.00 1.31 O ATOM 839 CB ALA A 57 -1.586 32.858 -22.684 1.00 62.00 C ATOM 0 H ALA A 57 -1.121 31.915 -24.910 1.00 32.25 H new ATOM 0 HA ALA A 57 -3.480 32.425 -23.578 1.00 41.53 H new ATOM 0 HB1 ALA A 57 -2.018 33.301 -21.786 1.00 62.00 H new ATOM 0 HB2 ALA A 57 -1.365 31.807 -22.499 1.00 62.00 H new ATOM 0 HB3 ALA A 57 -0.666 33.382 -22.941 1.00 62.00 H new ATOM 845 N GLN A 58 -2.233 35.100 -24.954 1.00 63.51 N ATOM 846 CA GLN A 58 -2.496 36.501 -25.259 1.00 63.25 C ATOM 847 C GLN A 58 -3.153 36.646 -26.628 1.00 64.43 C ATOM 848 O GLN A 58 -2.861 37.582 -27.373 1.00 14.02 O ATOM 849 CB GLN A 58 -1.196 37.307 -25.216 1.00 73.34 C ATOM 850 CG GLN A 58 -0.451 37.189 -23.897 1.00 1.02 C ATOM 851 CD GLN A 58 0.799 38.046 -23.854 1.00 70.21 C ATOM 852 OE1 GLN A 58 1.518 38.166 -24.847 1.00 33.53 O ATOM 853 NE2 GLN A 58 1.065 38.648 -22.701 1.00 1.01 N ATOM 0 H GLN A 58 -1.461 34.691 -25.480 1.00 63.51 H new ATOM 0 HA GLN A 58 -3.181 36.889 -24.505 1.00 63.25 H new ATOM 0 HB2 GLN A 58 -0.544 36.973 -26.023 1.00 73.34 H new ATOM 0 HB3 GLN A 58 -1.423 38.357 -25.403 1.00 73.34 H new ATOM 0 HG2 GLN A 58 -1.114 37.479 -23.082 1.00 1.02 H new ATOM 0 HG3 GLN A 58 -0.178 36.147 -23.730 1.00 1.02 H new ATOM 0 HE21 GLN A 58 0.442 38.521 -21.904 1.00 1.01 H new ATOM 0 HE22 GLN A 58 1.893 39.238 -22.613 1.00 1.01 H new ATOM 862 N LYS A 59 -4.040 35.712 -26.955 1.00 13.43 N ATOM 863 CA LYS A 59 -4.740 35.735 -28.234 1.00 12.44 C ATOM 864 C LYS A 59 -5.698 34.554 -28.351 1.00 40.10 C ATOM 865 O LYS A 59 -5.272 33.401 -28.424 1.00 74.23 O ATOM 866 CB LYS A 59 -3.736 35.708 -29.388 1.00 52.43 C ATOM 867 CG LYS A 59 -3.997 36.767 -30.446 1.00 71.41 C ATOM 868 CD LYS A 59 -2.772 37.001 -31.314 1.00 53.41 C ATOM 869 CE LYS A 59 -3.104 37.859 -32.526 1.00 61.50 C ATOM 870 NZ LYS A 59 -2.149 37.629 -33.646 1.00 34.03 N ATOM 0 H LYS A 59 -4.291 34.929 -26.351 1.00 13.43 H new ATOM 0 HA LYS A 59 -5.320 36.657 -28.287 1.00 12.44 H new ATOM 0 HB2 LYS A 59 -2.731 35.846 -28.988 1.00 52.43 H new ATOM 0 HB3 LYS A 59 -3.760 34.724 -29.857 1.00 52.43 H new ATOM 0 HG2 LYS A 59 -4.834 36.459 -31.072 1.00 71.41 H new ATOM 0 HG3 LYS A 59 -4.286 37.701 -29.964 1.00 71.41 H new ATOM 0 HD2 LYS A 59 -1.994 37.487 -30.725 1.00 53.41 H new ATOM 0 HD3 LYS A 59 -2.370 36.043 -31.644 1.00 53.41 H new ATOM 0 HE2 LYS A 59 -4.117 37.638 -32.861 1.00 61.50 H new ATOM 0 HE3 LYS A 59 -3.085 38.911 -32.242 1.00 61.50 H new ATOM 0 HZ1 LYS A 59 -2.409 38.232 -34.453 1.00 34.03 H new ATOM 0 HZ2 LYS A 59 -1.185 37.864 -33.334 1.00 34.03 H new ATOM 0 HZ3 LYS A 59 -2.186 36.630 -33.934 1.00 34.03 H new ATOM 884 N THR A 60 -6.994 34.849 -28.370 1.00 33.42 N ATOM 885 CA THR A 60 -8.012 33.811 -28.479 1.00 12.22 C ATOM 886 C THR A 60 -8.981 34.109 -29.617 1.00 52.22 C ATOM 887 O THR A 60 -8.754 35.015 -30.418 1.00 10.44 O ATOM 888 CB THR A 60 -8.808 33.665 -27.168 1.00 24.32 C ATOM 889 OG1 THR A 60 -9.714 34.763 -27.020 1.00 13.04 O ATOM 890 CG2 THR A 60 -7.871 33.608 -25.970 1.00 53.22 C ATOM 0 H THR A 60 -7.364 35.798 -28.311 1.00 33.42 H new ATOM 0 HA THR A 60 -7.490 32.877 -28.685 1.00 12.22 H new ATOM 0 HB THR A 60 -9.372 32.733 -27.213 1.00 24.32 H new ATOM 0 HG1 THR A 60 -9.977 34.846 -26.080 1.00 13.04 H new ATOM 0 HG21 THR A 60 -8.455 33.505 -25.056 1.00 53.22 H new ATOM 0 HG22 THR A 60 -7.202 32.753 -26.072 1.00 53.22 H new ATOM 0 HG23 THR A 60 -7.284 34.525 -25.924 1.00 53.22 H new ATOM 898 N GLY A 61 -10.064 33.340 -29.683 1.00 40.23 N ATOM 899 CA GLY A 61 -11.052 33.539 -30.728 1.00 20.44 C ATOM 900 C GLY A 61 -11.080 32.396 -31.723 1.00 55.14 C ATOM 901 O GLY A 61 -12.093 32.166 -32.385 1.00 63.22 O ATOM 0 H GLY A 61 -10.275 32.583 -29.032 1.00 40.23 H new ATOM 0 HA2 GLY A 61 -12.038 33.648 -30.276 1.00 20.44 H new ATOM 0 HA3 GLY A 61 -10.838 34.470 -31.254 1.00 20.44 H new ATOM 905 N ARG A 62 -9.966 31.680 -31.832 1.00 34.45 N ATOM 906 CA ARG A 62 -9.867 30.557 -32.756 1.00 62.21 C ATOM 907 C ARG A 62 -8.441 30.015 -32.803 1.00 1.54 C ATOM 908 O ARG A 62 -7.702 30.270 -33.753 1.00 4.11 O ATOM 909 CB ARG A 62 -10.308 30.982 -34.158 1.00 12.12 C ATOM 910 CG ARG A 62 -11.620 30.355 -34.600 1.00 15.15 C ATOM 911 CD ARG A 62 -11.591 29.982 -36.073 1.00 71.34 C ATOM 912 NE ARG A 62 -11.380 31.146 -36.929 1.00 5.21 N ATOM 913 CZ ARG A 62 -10.952 31.068 -38.184 1.00 5.00 C ATOM 914 NH1 ARG A 62 -10.691 29.887 -38.727 1.00 34.32 N ATOM 915 NH2 ARG A 62 -10.783 32.173 -38.899 1.00 54.10 N ATOM 0 H ARG A 62 -9.119 31.858 -31.292 1.00 34.45 H new ATOM 0 HA ARG A 62 -10.527 29.766 -32.399 1.00 62.21 H new ATOM 0 HB2 ARG A 62 -10.406 32.067 -34.185 1.00 12.12 H new ATOM 0 HB3 ARG A 62 -9.529 30.714 -34.872 1.00 12.12 H new ATOM 0 HG2 ARG A 62 -11.819 29.465 -34.002 1.00 15.15 H new ATOM 0 HG3 ARG A 62 -12.438 31.052 -34.416 1.00 15.15 H new ATOM 0 HD2 ARG A 62 -10.797 29.255 -36.247 1.00 71.34 H new ATOM 0 HD3 ARG A 62 -12.530 29.499 -36.343 1.00 71.34 H new ATOM 0 HE ARG A 62 -11.572 32.070 -36.542 1.00 5.21 H new ATOM 0 HH11 ARG A 62 -10.819 29.035 -38.181 1.00 34.32 H new ATOM 0 HH12 ARG A 62 -10.362 29.830 -39.691 1.00 34.32 H new ATOM 0 HH21 ARG A 62 -10.982 33.084 -38.485 1.00 54.10 H new ATOM 0 HH22 ARG A 62 -10.454 32.112 -39.863 1.00 54.10 H new ATOM 929 N GLN A 63 -8.063 29.269 -31.770 1.00 61.10 N ATOM 930 CA GLN A 63 -6.725 28.693 -31.693 1.00 55.32 C ATOM 931 C GLN A 63 -6.789 27.170 -31.680 1.00 24.51 C ATOM 932 O GLN A 63 -7.701 26.580 -31.100 1.00 21.23 O ATOM 933 CB GLN A 63 -6.002 29.197 -30.443 1.00 63.51 C ATOM 934 CG GLN A 63 -6.296 30.651 -30.114 1.00 12.12 C ATOM 935 CD GLN A 63 -5.856 31.599 -31.212 1.00 74.22 C ATOM 936 OE1 GLN A 63 -4.799 31.418 -31.817 1.00 52.32 O ATOM 937 NE2 GLN A 63 -6.667 32.616 -31.476 1.00 55.54 N ATOM 0 H GLN A 63 -8.664 29.049 -30.975 1.00 61.10 H new ATOM 0 HA GLN A 63 -6.169 29.007 -32.576 1.00 55.32 H new ATOM 0 HB2 GLN A 63 -6.287 28.576 -29.594 1.00 63.51 H new ATOM 0 HB3 GLN A 63 -4.928 29.075 -30.581 1.00 63.51 H new ATOM 0 HG2 GLN A 63 -7.366 30.771 -29.942 1.00 12.12 H new ATOM 0 HG3 GLN A 63 -5.792 30.918 -29.185 1.00 12.12 H new ATOM 0 HE21 GLN A 63 -7.533 32.727 -30.949 1.00 55.54 H new ATOM 0 HE22 GLN A 63 -6.424 33.286 -32.205 1.00 55.54 H new ATOM 946 N THR A 64 -5.813 26.536 -32.324 1.00 20.14 N ATOM 947 CA THR A 64 -5.758 25.081 -32.387 1.00 73.02 C ATOM 948 C THR A 64 -4.801 24.521 -31.342 1.00 23.51 C ATOM 949 O THR A 64 -3.595 24.769 -31.392 1.00 53.43 O ATOM 950 CB THR A 64 -5.319 24.596 -33.782 1.00 33.33 C ATOM 951 OG1 THR A 64 -4.231 25.395 -34.258 1.00 60.13 O ATOM 952 CG2 THR A 64 -6.476 24.665 -34.768 1.00 22.05 C ATOM 0 H THR A 64 -5.050 27.008 -32.809 1.00 20.14 H new ATOM 0 HA THR A 64 -6.765 24.717 -32.184 1.00 73.02 H new ATOM 0 HB THR A 64 -4.997 23.558 -33.697 1.00 33.33 H new ATOM 0 HG1 THR A 64 -3.573 25.512 -33.541 1.00 60.13 H new ATOM 0 HG21 THR A 64 -6.142 24.318 -35.746 1.00 22.05 H new ATOM 0 HG22 THR A 64 -7.291 24.032 -34.417 1.00 22.05 H new ATOM 0 HG23 THR A 64 -6.825 25.695 -34.848 1.00 22.05 H new ATOM 960 N LEU A 65 -5.343 23.762 -30.396 1.00 12.44 N ATOM 961 CA LEU A 65 -4.536 23.165 -29.337 1.00 40.14 C ATOM 962 C LEU A 65 -4.239 21.700 -29.640 1.00 74.20 C ATOM 963 O LEU A 65 -5.060 20.998 -30.233 1.00 2.03 O ATOM 964 CB LEU A 65 -5.254 23.285 -27.992 1.00 71.40 C ATOM 965 CG LEU A 65 -5.568 24.706 -27.523 1.00 20.44 C ATOM 966 CD1 LEU A 65 -6.939 25.140 -28.016 1.00 53.12 C ATOM 967 CD2 LEU A 65 -5.492 24.795 -26.005 1.00 52.14 C ATOM 0 H LEU A 65 -6.338 23.545 -30.340 1.00 12.44 H new ATOM 0 HA LEU A 65 -3.591 23.705 -29.286 1.00 40.14 H new ATOM 0 HB2 LEU A 65 -6.189 22.728 -28.051 1.00 71.40 H new ATOM 0 HB3 LEU A 65 -4.642 22.800 -27.232 1.00 71.40 H new ATOM 0 HG LEU A 65 -4.823 25.381 -27.945 1.00 20.44 H new ATOM 0 HD11 LEU A 65 -7.145 26.154 -27.672 1.00 53.12 H new ATOM 0 HD12 LEU A 65 -6.959 25.115 -29.106 1.00 53.12 H new ATOM 0 HD13 LEU A 65 -7.698 24.463 -27.624 1.00 53.12 H new ATOM 0 HD21 LEU A 65 -5.718 25.813 -25.688 1.00 52.14 H new ATOM 0 HD22 LEU A 65 -6.215 24.109 -25.564 1.00 52.14 H new ATOM 0 HD23 LEU A 65 -4.488 24.527 -25.675 1.00 52.14 H new ATOM 979 N THR A 66 -3.061 21.242 -29.227 1.00 54.12 N ATOM 980 CA THR A 66 -2.657 19.860 -29.453 1.00 4.42 C ATOM 981 C THR A 66 -2.083 19.241 -28.183 1.00 41.25 C ATOM 982 O THR A 66 -1.045 19.676 -27.683 1.00 21.03 O ATOM 983 CB THR A 66 -1.610 19.758 -30.579 1.00 11.35 C ATOM 984 OG1 THR A 66 -1.674 20.920 -31.413 1.00 63.13 O ATOM 985 CG2 THR A 66 -1.839 18.511 -31.419 1.00 21.25 C ATOM 0 H THR A 66 -2.370 21.808 -28.734 1.00 54.12 H new ATOM 0 HA THR A 66 -3.552 19.313 -29.749 1.00 4.42 H new ATOM 0 HB THR A 66 -0.622 19.693 -30.123 1.00 11.35 H new ATOM 0 HG1 THR A 66 -1.005 20.849 -32.125 1.00 63.13 H new ATOM 0 HG21 THR A 66 -1.088 18.460 -32.207 1.00 21.25 H new ATOM 0 HG22 THR A 66 -1.761 17.627 -30.786 1.00 21.25 H new ATOM 0 HG23 THR A 66 -2.832 18.551 -31.866 1.00 21.25 H new ATOM 993 N LEU A 67 -2.764 18.224 -27.667 1.00 64.14 N ATOM 994 CA LEU A 67 -2.321 17.543 -26.455 1.00 43.53 C ATOM 995 C LEU A 67 -1.607 16.239 -26.793 1.00 62.43 C ATOM 996 O LEU A 67 -2.099 15.437 -27.588 1.00 34.23 O ATOM 997 CB LEU A 67 -3.513 17.263 -25.539 1.00 54.14 C ATOM 998 CG LEU A 67 -4.290 15.977 -25.824 1.00 12.14 C ATOM 999 CD1 LEU A 67 -3.681 14.807 -25.066 1.00 54.32 C ATOM 1000 CD2 LEU A 67 -5.757 16.148 -25.456 1.00 21.32 C ATOM 0 H LEU A 67 -3.625 17.853 -28.069 1.00 64.14 H new ATOM 0 HA LEU A 67 -1.619 18.196 -25.937 1.00 43.53 H new ATOM 0 HB2 LEU A 67 -3.155 17.227 -24.510 1.00 54.14 H new ATOM 0 HB3 LEU A 67 -4.203 18.104 -25.607 1.00 54.14 H new ATOM 0 HG LEU A 67 -4.226 15.765 -26.891 1.00 12.14 H new ATOM 0 HD11 LEU A 67 -4.247 13.900 -25.281 1.00 54.32 H new ATOM 0 HD12 LEU A 67 -2.645 14.671 -25.378 1.00 54.32 H new ATOM 0 HD13 LEU A 67 -3.714 15.010 -23.996 1.00 54.32 H new ATOM 0 HD21 LEU A 67 -6.295 15.223 -25.665 1.00 21.32 H new ATOM 0 HD22 LEU A 67 -5.841 16.384 -24.395 1.00 21.32 H new ATOM 0 HD23 LEU A 67 -6.187 16.959 -26.044 1.00 21.32 H new ATOM 1012 N HIS A 68 -0.444 16.031 -26.183 1.00 70.14 N ATOM 1013 CA HIS A 68 0.337 14.821 -26.418 1.00 12.34 C ATOM 1014 C HIS A 68 0.609 14.089 -25.107 1.00 65.44 C ATOM 1015 O HIS A 68 1.368 14.566 -24.264 1.00 5.42 O ATOM 1016 CB HIS A 68 1.657 15.167 -27.107 1.00 22.24 C ATOM 1017 CG HIS A 68 2.075 14.164 -28.138 1.00 53.32 C ATOM 1018 ND1 HIS A 68 2.291 14.490 -29.460 1.00 55.45 N ATOM 1019 CD2 HIS A 68 2.318 12.837 -28.035 1.00 73.21 C ATOM 1020 CE1 HIS A 68 2.647 13.407 -30.126 1.00 74.55 C ATOM 1021 NE2 HIS A 68 2.671 12.389 -29.284 1.00 42.33 N ATOM 0 H HIS A 68 -0.022 16.684 -25.523 1.00 70.14 H new ATOM 0 HA HIS A 68 -0.241 14.164 -27.068 1.00 12.34 H new ATOM 0 HB2 HIS A 68 1.565 16.145 -27.580 1.00 22.24 H new ATOM 0 HB3 HIS A 68 2.440 15.249 -26.353 1.00 22.24 H new ATOM 0 HD2 HIS A 68 2.247 12.241 -27.137 1.00 73.21 H new ATOM 0 HE1 HIS A 68 2.879 13.361 -31.180 1.00 74.55 H new ATOM 0 HE2 HIS A 68 2.912 11.427 -29.523 1.00 42.33 H new ATOM 1029 N TYR A 69 -0.015 12.928 -24.944 1.00 24.53 N ATOM 1030 CA TYR A 69 0.158 12.131 -23.735 1.00 23.40 C ATOM 1031 C TYR A 69 0.231 10.644 -24.069 1.00 35.35 C ATOM 1032 O TYR A 69 -0.637 10.109 -24.759 1.00 2.13 O ATOM 1033 CB TYR A 69 -0.990 12.390 -22.759 1.00 14.51 C ATOM 1034 CG TYR A 69 -0.809 11.718 -21.417 1.00 62.31 C ATOM 1035 CD1 TYR A 69 0.437 11.673 -20.803 1.00 73.10 C ATOM 1036 CD2 TYR A 69 -1.883 11.128 -20.763 1.00 33.42 C ATOM 1037 CE1 TYR A 69 0.607 11.059 -19.578 1.00 22.45 C ATOM 1038 CE2 TYR A 69 -1.722 10.512 -19.536 1.00 54.44 C ATOM 1039 CZ TYR A 69 -0.475 10.480 -18.948 1.00 53.11 C ATOM 1040 OH TYR A 69 -0.310 9.868 -17.727 1.00 2.44 O ATOM 0 H TYR A 69 -0.645 12.518 -25.633 1.00 24.53 H new ATOM 0 HA TYR A 69 1.097 12.427 -23.267 1.00 23.40 H new ATOM 0 HB2 TYR A 69 -1.090 13.465 -22.607 1.00 14.51 H new ATOM 0 HB3 TYR A 69 -1.921 12.043 -23.207 1.00 14.51 H new ATOM 0 HD1 TYR A 69 1.287 12.126 -21.292 1.00 73.10 H new ATOM 0 HD2 TYR A 69 -2.861 11.151 -21.221 1.00 33.42 H new ATOM 0 HE1 TYR A 69 1.582 11.032 -19.115 1.00 22.45 H new ATOM 0 HE2 TYR A 69 -2.568 10.058 -19.041 1.00 54.44 H new ATOM 0 HH TYR A 69 -1.170 9.512 -17.420 1.00 2.44 H new ATOM 1050 N GLN A 70 1.271 9.983 -23.572 1.00 63.43 N ATOM 1051 CA GLN A 70 1.458 8.557 -23.817 1.00 53.32 C ATOM 1052 C GLN A 70 1.590 8.274 -25.310 1.00 2.21 C ATOM 1053 O GLN A 70 1.308 7.168 -25.770 1.00 5.53 O ATOM 1054 CB GLN A 70 0.287 7.761 -23.237 1.00 4.30 C ATOM 1055 CG GLN A 70 0.049 8.021 -21.758 1.00 54.13 C ATOM 1056 CD GLN A 70 -0.516 6.813 -21.037 1.00 65.22 C ATOM 1057 OE1 GLN A 70 -0.563 5.713 -21.588 1.00 62.43 O ATOM 1058 NE2 GLN A 70 -0.947 7.011 -19.797 1.00 52.32 N ATOM 0 H GLN A 70 1.997 10.411 -22.998 1.00 63.43 H new ATOM 0 HA GLN A 70 2.379 8.247 -23.324 1.00 53.32 H new ATOM 0 HB2 GLN A 70 -0.619 8.007 -23.791 1.00 4.30 H new ATOM 0 HB3 GLN A 70 0.472 6.697 -23.385 1.00 4.30 H new ATOM 0 HG2 GLN A 70 0.988 8.313 -21.289 1.00 54.13 H new ATOM 0 HG3 GLN A 70 -0.638 8.860 -21.646 1.00 54.13 H new ATOM 0 HE21 GLN A 70 -0.889 7.940 -19.379 1.00 52.32 H new ATOM 0 HE22 GLN A 70 -1.336 6.234 -19.262 1.00 52.32 H new ATOM 1067 N GLY A 71 2.021 9.282 -26.063 1.00 11.23 N ATOM 1068 CA GLY A 71 2.183 9.121 -27.496 1.00 14.41 C ATOM 1069 C GLY A 71 0.935 9.504 -28.267 1.00 35.44 C ATOM 1070 O GLY A 71 0.994 9.767 -29.468 1.00 62.32 O ATOM 0 H GLY A 71 2.261 10.207 -25.706 1.00 11.23 H new ATOM 0 HA2 GLY A 71 3.018 9.734 -27.835 1.00 14.41 H new ATOM 0 HA3 GLY A 71 2.438 8.084 -27.716 1.00 14.41 H new ATOM 1074 N HIS A 72 -0.200 9.533 -27.575 1.00 54.12 N ATOM 1075 CA HIS A 72 -1.469 9.885 -28.203 1.00 31.10 C ATOM 1076 C HIS A 72 -1.569 11.392 -28.418 1.00 53.02 C ATOM 1077 O HIS A 72 -1.253 12.178 -27.525 1.00 74.44 O ATOM 1078 CB HIS A 72 -2.638 9.402 -27.344 1.00 74.35 C ATOM 1079 CG HIS A 72 -3.587 8.503 -28.076 1.00 33.01 C ATOM 1080 ND1 HIS A 72 -4.360 8.928 -29.136 1.00 32.40 N ATOM 1081 CD2 HIS A 72 -3.884 7.195 -27.896 1.00 35.22 C ATOM 1082 CE1 HIS A 72 -5.093 7.920 -29.575 1.00 71.11 C ATOM 1083 NE2 HIS A 72 -4.823 6.857 -28.840 1.00 22.43 N ATOM 0 H HIS A 72 -0.267 9.317 -26.580 1.00 54.12 H new ATOM 0 HA HIS A 72 -1.514 9.393 -29.175 1.00 31.10 H new ATOM 0 HB2 HIS A 72 -2.246 8.873 -26.475 1.00 74.35 H new ATOM 0 HB3 HIS A 72 -3.185 10.267 -26.970 1.00 74.35 H new ATOM 0 HD2 HIS A 72 -3.461 6.539 -27.149 1.00 35.22 H new ATOM 0 HE1 HIS A 72 -5.794 7.959 -30.396 1.00 71.11 H new ATOM 0 HE2 HIS A 72 -5.243 5.935 -28.954 1.00 22.43 H new ATOM 1091 N GLU A 73 -2.010 11.787 -29.609 1.00 11.15 N ATOM 1092 CA GLU A 73 -2.150 13.200 -29.940 1.00 42.12 C ATOM 1093 C GLU A 73 -3.602 13.543 -30.258 1.00 52.44 C ATOM 1094 O GLU A 73 -4.281 12.813 -30.981 1.00 4.01 O ATOM 1095 CB GLU A 73 -1.257 13.558 -31.130 1.00 52.13 C ATOM 1096 CG GLU A 73 -1.057 15.053 -31.313 1.00 4.23 C ATOM 1097 CD GLU A 73 -1.247 15.496 -32.750 1.00 44.24 C ATOM 1098 OE1 GLU A 73 -2.404 15.513 -33.219 1.00 0.24 O ATOM 1099 OE2 GLU A 73 -0.237 15.826 -33.407 1.00 42.22 O ATOM 0 H GLU A 73 -2.276 11.149 -30.359 1.00 11.15 H new ATOM 0 HA GLU A 73 -1.839 13.783 -29.073 1.00 42.12 H new ATOM 0 HB2 GLU A 73 -0.285 13.083 -30.999 1.00 52.13 H new ATOM 0 HB3 GLU A 73 -1.694 13.145 -32.039 1.00 52.13 H new ATOM 0 HG2 GLU A 73 -1.759 15.590 -30.675 1.00 4.23 H new ATOM 0 HG3 GLU A 73 -0.054 15.325 -30.983 1.00 4.23 H new ATOM 1106 N VAL A 74 -4.073 14.660 -29.713 1.00 14.31 N ATOM 1107 CA VAL A 74 -5.445 15.102 -29.938 1.00 64.31 C ATOM 1108 C VAL A 74 -5.492 16.580 -30.308 1.00 13.15 C ATOM 1109 O VAL A 74 -4.821 17.407 -29.690 1.00 62.33 O ATOM 1110 CB VAL A 74 -6.322 14.866 -28.694 1.00 44.20 C ATOM 1111 CG1 VAL A 74 -7.789 15.095 -29.024 1.00 22.03 C ATOM 1112 CG2 VAL A 74 -6.102 13.464 -28.146 1.00 12.33 C ATOM 0 H VAL A 74 -3.525 15.276 -29.112 1.00 14.31 H new ATOM 0 HA VAL A 74 -5.837 14.511 -30.766 1.00 64.31 H new ATOM 0 HB VAL A 74 -6.032 15.581 -27.925 1.00 44.20 H new ATOM 0 HG11 VAL A 74 -8.393 14.924 -28.133 1.00 22.03 H new ATOM 0 HG12 VAL A 74 -7.929 16.120 -29.366 1.00 22.03 H new ATOM 0 HG13 VAL A 74 -8.097 14.405 -29.810 1.00 22.03 H new ATOM 0 HG21 VAL A 74 -6.729 13.314 -27.267 1.00 12.33 H new ATOM 0 HG22 VAL A 74 -6.364 12.730 -28.908 1.00 12.33 H new ATOM 0 HG23 VAL A 74 -5.055 13.342 -27.869 1.00 12.33 H new ATOM 1122 N SER A 75 -6.291 16.906 -31.319 1.00 12.35 N ATOM 1123 CA SER A 75 -6.425 18.285 -31.773 1.00 44.41 C ATOM 1124 C SER A 75 -7.757 18.879 -31.325 1.00 23.32 C ATOM 1125 O SER A 75 -8.777 18.190 -31.294 1.00 11.42 O ATOM 1126 CB SER A 75 -6.309 18.356 -33.297 1.00 71.31 C ATOM 1127 OG SER A 75 -6.339 19.698 -33.749 1.00 42.43 O ATOM 0 H SER A 75 -6.855 16.234 -31.839 1.00 12.35 H new ATOM 0 HA SER A 75 -5.619 18.868 -31.326 1.00 44.41 H new ATOM 0 HB2 SER A 75 -5.381 17.882 -33.617 1.00 71.31 H new ATOM 0 HB3 SER A 75 -7.126 17.797 -33.753 1.00 71.31 H new ATOM 0 HG SER A 75 -6.262 19.716 -34.726 1.00 42.43 H new ATOM 1133 N PHE A 76 -7.739 20.161 -30.978 1.00 0.43 N ATOM 1134 CA PHE A 76 -8.944 20.849 -30.530 1.00 34.13 C ATOM 1135 C PHE A 76 -8.911 22.321 -30.929 1.00 1.33 C ATOM 1136 O PHE A 76 -7.896 22.821 -31.416 1.00 35.41 O ATOM 1137 CB PHE A 76 -9.094 20.723 -29.012 1.00 54.41 C ATOM 1138 CG PHE A 76 -9.472 19.342 -28.559 1.00 55.13 C ATOM 1139 CD1 PHE A 76 -10.583 18.705 -29.088 1.00 72.03 C ATOM 1140 CD2 PHE A 76 -8.717 18.681 -27.604 1.00 52.01 C ATOM 1141 CE1 PHE A 76 -10.934 17.434 -28.674 1.00 63.31 C ATOM 1142 CE2 PHE A 76 -9.063 17.410 -27.186 1.00 65.33 C ATOM 1143 CZ PHE A 76 -10.173 16.786 -27.721 1.00 63.30 C ATOM 0 H PHE A 76 -6.903 20.745 -30.998 1.00 0.43 H new ATOM 0 HA PHE A 76 -9.801 20.380 -31.013 1.00 34.13 H new ATOM 0 HB2 PHE A 76 -8.155 21.008 -28.537 1.00 54.41 H new ATOM 0 HB3 PHE A 76 -9.851 21.429 -28.670 1.00 54.41 H new ATOM 0 HD1 PHE A 76 -11.182 19.208 -29.833 1.00 72.03 H new ATOM 0 HD2 PHE A 76 -7.848 19.164 -27.181 1.00 52.01 H new ATOM 0 HE1 PHE A 76 -11.802 16.948 -29.095 1.00 63.31 H new ATOM 0 HE2 PHE A 76 -8.466 16.905 -26.441 1.00 65.33 H new ATOM 0 HZ PHE A 76 -10.445 15.793 -27.395 1.00 63.30 H new ATOM 1153 N ASP A 77 -10.027 23.010 -30.719 1.00 52.21 N ATOM 1154 CA ASP A 77 -10.127 24.426 -31.056 1.00 22.40 C ATOM 1155 C ASP A 77 -10.704 25.222 -29.890 1.00 55.33 C ATOM 1156 O ASP A 77 -11.533 24.720 -29.131 1.00 73.33 O ATOM 1157 CB ASP A 77 -10.996 24.616 -32.300 1.00 61.41 C ATOM 1158 CG ASP A 77 -10.177 24.933 -33.536 1.00 4.55 C ATOM 1159 OD1 ASP A 77 -9.384 25.897 -33.490 1.00 10.25 O ATOM 1160 OD2 ASP A 77 -10.329 24.219 -34.549 1.00 3.02 O ATOM 0 H ASP A 77 -10.875 22.611 -30.317 1.00 52.21 H new ATOM 0 HA ASP A 77 -9.123 24.797 -31.264 1.00 22.40 H new ATOM 0 HB2 ASP A 77 -11.577 23.711 -32.475 1.00 61.41 H new ATOM 0 HB3 ASP A 77 -11.708 25.422 -32.123 1.00 61.41 H new ATOM 1165 N VAL A 78 -10.260 26.468 -29.753 1.00 73.35 N ATOM 1166 CA VAL A 78 -10.733 27.334 -28.680 1.00 42.34 C ATOM 1167 C VAL A 78 -11.436 28.566 -29.239 1.00 0.55 C ATOM 1168 O VAL A 78 -10.972 29.177 -30.202 1.00 64.35 O ATOM 1169 CB VAL A 78 -9.574 27.786 -27.772 1.00 22.41 C ATOM 1170 CG1 VAL A 78 -8.631 28.709 -28.528 1.00 63.21 C ATOM 1171 CG2 VAL A 78 -10.111 28.466 -26.522 1.00 51.30 C ATOM 0 H VAL A 78 -9.574 26.900 -30.372 1.00 73.35 H new ATOM 0 HA VAL A 78 -11.441 26.751 -28.090 1.00 42.34 H new ATOM 0 HB VAL A 78 -9.011 26.904 -27.465 1.00 22.41 H new ATOM 0 HG11 VAL A 78 -7.819 29.018 -27.870 1.00 63.21 H new ATOM 0 HG12 VAL A 78 -8.220 28.183 -29.390 1.00 63.21 H new ATOM 0 HG13 VAL A 78 -9.177 29.589 -28.867 1.00 63.21 H new ATOM 0 HG21 VAL A 78 -9.278 28.779 -25.892 1.00 51.30 H new ATOM 0 HG22 VAL A 78 -10.699 29.339 -26.807 1.00 51.30 H new ATOM 0 HG23 VAL A 78 -10.741 27.768 -25.970 1.00 51.30 H new ATOM 1181 N LEU A 79 -12.558 28.928 -28.627 1.00 13.23 N ATOM 1182 CA LEU A 79 -13.327 30.089 -29.062 1.00 1.33 C ATOM 1183 C LEU A 79 -13.774 30.925 -27.867 1.00 5.52 C ATOM 1184 O LEU A 79 -14.365 30.407 -26.919 1.00 44.42 O ATOM 1185 CB LEU A 79 -14.546 29.644 -29.871 1.00 40.35 C ATOM 1186 CG LEU A 79 -14.728 30.314 -31.234 1.00 1.42 C ATOM 1187 CD1 LEU A 79 -14.639 31.827 -31.101 1.00 22.22 C ATOM 1188 CD2 LEU A 79 -13.691 29.802 -32.223 1.00 11.11 C ATOM 0 H LEU A 79 -12.956 28.434 -27.828 1.00 13.23 H new ATOM 0 HA LEU A 79 -12.685 30.704 -29.692 1.00 1.33 H new ATOM 0 HB2 LEU A 79 -14.482 28.567 -30.024 1.00 40.35 H new ATOM 0 HB3 LEU A 79 -15.440 29.829 -29.275 1.00 40.35 H new ATOM 0 HG LEU A 79 -15.718 30.060 -31.613 1.00 1.42 H new ATOM 0 HD11 LEU A 79 -14.771 32.287 -32.080 1.00 22.22 H new ATOM 0 HD12 LEU A 79 -15.420 32.180 -30.427 1.00 22.22 H new ATOM 0 HD13 LEU A 79 -13.663 32.100 -30.700 1.00 22.22 H new ATOM 0 HD21 LEU A 79 -13.836 30.290 -33.187 1.00 11.11 H new ATOM 0 HD22 LEU A 79 -12.691 30.025 -31.850 1.00 11.11 H new ATOM 0 HD23 LEU A 79 -13.802 28.724 -32.341 1.00 11.11 H new ATOM 1200 N VAL A 80 -13.489 32.223 -27.919 1.00 63.23 N ATOM 1201 CA VAL A 80 -13.864 33.132 -26.843 1.00 42.10 C ATOM 1202 C VAL A 80 -15.114 33.926 -27.205 1.00 34.52 C ATOM 1203 O VAL A 80 -15.251 34.411 -28.328 1.00 20.42 O ATOM 1204 CB VAL A 80 -12.723 34.114 -26.515 1.00 34.14 C ATOM 1205 CG1 VAL A 80 -12.533 35.110 -27.648 1.00 60.14 C ATOM 1206 CG2 VAL A 80 -13.001 34.833 -25.203 1.00 71.02 C ATOM 0 H VAL A 80 -12.999 32.668 -28.695 1.00 63.23 H new ATOM 0 HA VAL A 80 -14.068 32.518 -25.966 1.00 42.10 H new ATOM 0 HB VAL A 80 -11.799 33.547 -26.404 1.00 34.14 H new ATOM 0 HG11 VAL A 80 -11.723 35.795 -27.398 1.00 60.14 H new ATOM 0 HG12 VAL A 80 -12.286 34.575 -28.565 1.00 60.14 H new ATOM 0 HG13 VAL A 80 -13.454 35.675 -27.794 1.00 60.14 H new ATOM 0 HG21 VAL A 80 -12.185 35.523 -24.986 1.00 71.02 H new ATOM 0 HG22 VAL A 80 -13.935 35.389 -25.284 1.00 71.02 H new ATOM 0 HG23 VAL A 80 -13.082 34.103 -24.398 1.00 71.02 H new ATOM 1216 N SER A 81 -16.025 34.054 -26.245 1.00 51.22 N ATOM 1217 CA SER A 81 -17.267 34.786 -26.463 1.00 51.53 C ATOM 1218 C SER A 81 -17.321 36.037 -25.591 1.00 21.12 C ATOM 1219 O SER A 81 -16.634 36.146 -24.575 1.00 34.15 O ATOM 1220 CB SER A 81 -18.471 33.891 -26.165 1.00 70.33 C ATOM 1221 OG SER A 81 -19.459 34.592 -25.431 1.00 11.24 O ATOM 0 H SER A 81 -15.926 33.660 -25.309 1.00 51.22 H new ATOM 0 HA SER A 81 -17.300 35.091 -27.509 1.00 51.53 H new ATOM 0 HB2 SER A 81 -18.898 33.527 -27.100 1.00 70.33 H new ATOM 0 HB3 SER A 81 -18.147 33.016 -25.601 1.00 70.33 H new ATOM 0 HG SER A 81 -20.218 33.998 -25.255 1.00 11.24 H new ATOM 1227 N PRO A 82 -18.157 37.005 -25.996 1.00 64.41 N ATOM 1228 CA PRO A 82 -18.321 38.265 -25.266 1.00 55.12 C ATOM 1229 C PRO A 82 -19.034 38.073 -23.932 1.00 0.43 C ATOM 1230 O PRO A 82 -20.259 37.965 -23.880 1.00 73.51 O ATOM 1231 CB PRO A 82 -19.176 39.113 -26.212 1.00 1.25 C ATOM 1232 CG PRO A 82 -19.922 38.124 -27.038 1.00 60.33 C ATOM 1233 CD PRO A 82 -19.005 36.942 -27.198 1.00 14.42 C ATOM 0 HA PRO A 82 -17.362 38.718 -25.013 1.00 55.12 H new ATOM 0 HB2 PRO A 82 -19.857 39.760 -25.658 1.00 1.25 H new ATOM 0 HB3 PRO A 82 -18.556 39.760 -26.833 1.00 1.25 H new ATOM 0 HG2 PRO A 82 -20.853 37.833 -26.552 1.00 60.33 H new ATOM 0 HG3 PRO A 82 -20.187 38.546 -28.007 1.00 60.33 H new ATOM 0 HD2 PRO A 82 -19.561 36.006 -27.249 1.00 14.42 H new ATOM 0 HD3 PRO A 82 -18.414 37.012 -28.111 1.00 14.42 H new ATOM 1241 N LYS A 83 -18.259 38.033 -22.853 1.00 52.20 N ATOM 1242 CA LYS A 83 -18.816 37.856 -21.517 1.00 4.41 C ATOM 1243 C LYS A 83 -19.757 36.657 -21.474 1.00 21.11 C ATOM 1244 O LYS A 83 -19.813 35.866 -22.415 1.00 54.42 O ATOM 1245 CB LYS A 83 -19.562 39.120 -21.082 1.00 23.44 C ATOM 1246 CG LYS A 83 -19.199 39.589 -19.683 1.00 62.13 C ATOM 1247 CD LYS A 83 -20.174 40.638 -19.177 1.00 0.33 C ATOM 1248 CE LYS A 83 -19.680 42.046 -19.471 1.00 51.52 C ATOM 1249 NZ LYS A 83 -20.654 42.815 -20.295 1.00 12.04 N ATOM 0 H LYS A 83 -17.243 38.121 -22.878 1.00 52.20 H new ATOM 0 HA LYS A 83 -17.992 37.673 -20.828 1.00 4.41 H new ATOM 0 HB2 LYS A 83 -19.349 39.920 -21.791 1.00 23.44 H new ATOM 0 HB3 LYS A 83 -20.635 38.932 -21.126 1.00 23.44 H new ATOM 0 HG2 LYS A 83 -19.194 38.737 -19.003 1.00 62.13 H new ATOM 0 HG3 LYS A 83 -18.190 40.000 -19.687 1.00 62.13 H new ATOM 0 HD2 LYS A 83 -21.147 40.488 -19.645 1.00 0.33 H new ATOM 0 HD3 LYS A 83 -20.315 40.517 -18.103 1.00 0.33 H new ATOM 0 HE2 LYS A 83 -19.503 42.572 -18.533 1.00 51.52 H new ATOM 0 HE3 LYS A 83 -18.724 41.994 -19.993 1.00 51.52 H new ATOM 0 HZ1 LYS A 83 -20.281 43.769 -20.474 1.00 12.04 H new ATOM 0 HZ2 LYS A 83 -20.804 42.327 -21.201 1.00 12.04 H new ATOM 0 HZ3 LYS A 83 -21.558 42.887 -19.787 1.00 12.04 H new ATOM 1263 N ALA A 84 -20.495 36.529 -20.376 1.00 71.12 N ATOM 1264 CA ALA A 84 -21.436 35.428 -20.213 1.00 13.13 C ATOM 1265 C ALA A 84 -22.180 35.534 -18.886 1.00 11.23 C ATOM 1266 O ALA A 84 -22.091 36.547 -18.192 1.00 65.05 O ATOM 1267 CB ALA A 84 -20.710 34.094 -20.308 1.00 13.32 C ATOM 0 H ALA A 84 -20.459 37.174 -19.587 1.00 71.12 H new ATOM 0 HA ALA A 84 -22.170 35.488 -21.017 1.00 13.13 H new ATOM 0 HB1 ALA A 84 -21.425 33.281 -20.184 1.00 13.32 H new ATOM 0 HB2 ALA A 84 -20.230 34.010 -21.283 1.00 13.32 H new ATOM 0 HB3 ALA A 84 -19.954 34.035 -19.525 1.00 13.32 H new ATOM 1273 N ALA A 85 -22.915 34.482 -18.539 1.00 3.53 N ATOM 1274 CA ALA A 85 -23.673 34.457 -17.294 1.00 40.50 C ATOM 1275 C ALA A 85 -23.103 33.428 -16.324 1.00 44.13 C ATOM 1276 O ALA A 85 -22.152 32.715 -16.648 1.00 72.53 O ATOM 1277 CB ALA A 85 -25.139 34.165 -17.575 1.00 74.22 C ATOM 0 H ALA A 85 -23.001 33.636 -19.103 1.00 3.53 H new ATOM 0 HA ALA A 85 -23.592 35.439 -16.829 1.00 40.50 H new ATOM 0 HB1 ALA A 85 -25.693 34.149 -16.637 1.00 74.22 H new ATOM 0 HB2 ALA A 85 -25.546 34.940 -18.224 1.00 74.22 H new ATOM 0 HB3 ALA A 85 -25.229 33.196 -18.066 1.00 74.22 H new ATOM 1283 N LEU A 86 -23.687 33.356 -15.134 1.00 13.54 N ATOM 1284 CA LEU A 86 -23.237 32.414 -14.115 1.00 45.04 C ATOM 1285 C LEU A 86 -23.787 31.017 -14.385 1.00 2.15 C ATOM 1286 O LEU A 86 -24.648 30.834 -15.243 1.00 72.44 O ATOM 1287 CB LEU A 86 -23.671 32.887 -12.727 1.00 24.21 C ATOM 1288 CG LEU A 86 -25.172 32.842 -12.442 1.00 32.45 C ATOM 1289 CD1 LEU A 86 -25.537 31.563 -11.704 1.00 71.52 C ATOM 1290 CD2 LEU A 86 -25.600 34.062 -11.639 1.00 44.15 C ATOM 0 H LEU A 86 -24.474 33.939 -14.850 1.00 13.54 H new ATOM 0 HA LEU A 86 -22.149 32.369 -14.152 1.00 45.04 H new ATOM 0 HB2 LEU A 86 -23.161 32.277 -11.981 1.00 24.21 H new ATOM 0 HB3 LEU A 86 -23.326 33.912 -12.590 1.00 24.21 H new ATOM 0 HG LEU A 86 -25.703 32.853 -13.394 1.00 32.45 H new ATOM 0 HD11 LEU A 86 -26.609 31.548 -11.510 1.00 71.52 H new ATOM 0 HD12 LEU A 86 -25.267 30.701 -12.314 1.00 71.52 H new ATOM 0 HD13 LEU A 86 -24.996 31.522 -10.758 1.00 71.52 H new ATOM 0 HD21 LEU A 86 -26.672 34.013 -11.446 1.00 44.15 H new ATOM 0 HD22 LEU A 86 -25.061 34.082 -10.692 1.00 44.15 H new ATOM 0 HD23 LEU A 86 -25.374 34.967 -12.204 1.00 44.15 H new ATOM 1302 N ASN A 87 -23.284 30.036 -13.643 1.00 32.44 N ATOM 1303 CA ASN A 87 -23.727 28.655 -13.800 1.00 62.11 C ATOM 1304 C ASN A 87 -23.494 27.860 -12.519 1.00 61.41 C ATOM 1305 O ASN A 87 -22.522 28.092 -11.800 1.00 31.00 O ATOM 1306 CB ASN A 87 -22.991 27.992 -14.966 1.00 74.43 C ATOM 1307 CG ASN A 87 -23.698 26.745 -15.461 1.00 74.44 C ATOM 1308 OD1 ASN A 87 -23.290 25.624 -15.157 1.00 32.14 O ATOM 1309 ND2 ASN A 87 -24.765 26.935 -16.230 1.00 23.23 N ATOM 0 H ASN A 87 -22.570 30.171 -12.927 1.00 32.44 H new ATOM 0 HA ASN A 87 -24.796 28.664 -14.011 1.00 62.11 H new ATOM 0 HB2 ASN A 87 -22.899 28.704 -15.786 1.00 74.43 H new ATOM 0 HB3 ASN A 87 -21.979 27.733 -14.654 1.00 74.43 H new ATOM 0 HD21 ASN A 87 -25.281 26.134 -16.593 1.00 23.23 H new ATOM 0 HD22 ASN A 87 -25.068 27.882 -16.457 1.00 23.23 H new ATOM 1316 N ASP A 88 -24.392 26.921 -12.241 1.00 65.40 N ATOM 1317 CA ASP A 88 -24.284 26.089 -11.048 1.00 4.11 C ATOM 1318 C ASP A 88 -23.777 24.694 -11.402 1.00 12.23 C ATOM 1319 O ASP A 88 -23.700 24.331 -12.575 1.00 13.12 O ATOM 1320 CB ASP A 88 -25.638 25.990 -10.345 1.00 13.32 C ATOM 1321 CG ASP A 88 -26.747 25.553 -11.282 1.00 65.13 C ATOM 1322 OD1 ASP A 88 -26.600 24.488 -11.918 1.00 2.13 O ATOM 1323 OD2 ASP A 88 -27.760 26.276 -11.381 1.00 73.23 O ATOM 0 H ASP A 88 -25.203 26.717 -12.825 1.00 65.40 H new ATOM 0 HA ASP A 88 -23.567 26.556 -10.373 1.00 4.11 H new ATOM 0 HB2 ASP A 88 -25.564 25.282 -9.519 1.00 13.32 H new ATOM 0 HB3 ASP A 88 -25.892 26.958 -9.913 1.00 13.32 H new ATOM 1328 N GLU A 89 -23.432 23.918 -10.379 1.00 14.22 N ATOM 1329 CA GLU A 89 -22.932 22.564 -10.583 1.00 45.02 C ATOM 1330 C GLU A 89 -23.266 21.674 -9.389 1.00 43.42 C ATOM 1331 O GLU A 89 -23.052 22.056 -8.239 1.00 41.43 O ATOM 1332 CB GLU A 89 -21.418 22.585 -10.810 1.00 34.11 C ATOM 1333 CG GLU A 89 -20.933 21.517 -11.775 1.00 62.22 C ATOM 1334 CD GLU A 89 -21.005 20.121 -11.186 1.00 12.50 C ATOM 1335 OE1 GLU A 89 -20.426 19.904 -10.101 1.00 55.12 O ATOM 1336 OE2 GLU A 89 -21.641 19.247 -11.810 1.00 75.25 O ATOM 0 H GLU A 89 -23.490 24.204 -9.402 1.00 14.22 H new ATOM 0 HA GLU A 89 -23.420 22.153 -11.467 1.00 45.02 H new ATOM 0 HB2 GLU A 89 -21.130 23.565 -11.191 1.00 34.11 H new ATOM 0 HB3 GLU A 89 -20.914 22.454 -9.853 1.00 34.11 H new ATOM 0 HG2 GLU A 89 -21.533 21.555 -12.684 1.00 62.22 H new ATOM 0 HG3 GLU A 89 -19.904 21.733 -12.063 1.00 62.22 H new TER 1343 GLU A 89