USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 978 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 119 GLN : amide:sc= -1.95! C(o=-2!,f=-2.6!) USER MOD Set 1.2: A 121 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0654) USER MOD Set 2.1: A 117 THR OG1 : rot -109:sc= 0.827 USER MOD Set 2.2: A 134 HIS : no HE2:sc= -0.817 K(o=0.0098,f=-5.7!) USER MOD Set 3.1: A 111 GLN :FLIP amide:sc= -0.117 F(o=-1.8,f=0.88) USER MOD Set 3.2: A 113 SER OG : rot -125:sc= 1 USER MOD Set 4.1: A 38 TYR OH : rot 165:sc= 0 USER MOD Set 4.2: A 42 LYS NZ :NH3+ -178:sc= 0.662 (180deg=-0.105) USER MOD Set 4.3: A 104 SER OG : rot 100:sc= 0.552 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc=-0.000164 USER MOD Single : A 23 THR OG1 : rot -138:sc= -4.15! USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -163:sc= -0.0167 (180deg=-0.295) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.406) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 76:sc= -1.51! USER MOD Single : A 46 SER OG : rot 180:sc=-0.00424 USER MOD Single : A 50 GLN : amide:sc= 0.0123 K(o=0.012,f=-0.86) USER MOD Single : A 60 SER OG : rot 180:sc= -0.632 USER MOD Single : A 64 ASN : amide:sc= -0.175 K(o=-0.17,f=-2.6!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 66 LYS NZ :NH3+ 146:sc= 0.031 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.285 X(o=-0.28,f=-0.31) USER MOD Single : A 74 TYR OH : rot 30:sc= -0.199 USER MOD Single : A 75 SER OG : rot 38:sc= 0.733 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 62:sc= -1.15 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= -1.06 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc= -4.39! X(o=-4.4!,f=-4) USER MOD Single : A 94 THR OG1 : rot 68:sc= -0.37 USER MOD Single : A 95 SER OG : rot 5:sc= 0.21 USER MOD Single : A 96 ASN : amide:sc= -0.286 K(o=-0.29,f=-1) USER MOD Single : A 99 LYS NZ :NH3+ 153:sc= 0.0317 (180deg=-0.257) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -6.98! C(o=-7!,f=-8.9!) USER MOD Single : A 108 THR OG1 : rot -146:sc=-0.000123 USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 118 TYR OH : rot -23:sc= 0.0263 USER MOD Single : A 123 LYS NZ :NH3+ -169:sc= -0.0337 (180deg=-0.229) USER MOD Single : A 124 LYS NZ :NH3+ -169:sc= -0.0288 (180deg=-0.782) USER MOD Single : A 130 ASN : amide:sc= -0.629 K(o=-0.63,f=-2.2) USER MOD Single : A 131 LYS NZ :NH3+ -150:sc= -0.678! (180deg=-2.06!) USER MOD Single : A 132 LYS NZ :NH3+ -170:sc= -0.0114 (180deg=-0.133) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 -7.116 -14.117 -11.861 1.00 3.28 N ATOM 2 CA GLY A 19 -7.302 -15.316 -10.997 1.00 2.94 C ATOM 3 C GLY A 19 -6.023 -15.732 -10.296 1.00 2.29 C ATOM 4 O GLY A 19 -5.863 -16.894 -9.922 1.00 2.40 O ATOM 0 HA2 GLY A 19 -8.069 -15.107 -10.252 1.00 2.94 H new ATOM 0 HA3 GLY A 19 -7.665 -16.145 -11.605 1.00 2.94 H new ATOM 10 N SER A 20 -5.109 -14.783 -10.117 1.00 2.00 N ATOM 11 CA SER A 20 -3.840 -15.060 -9.455 1.00 1.53 C ATOM 12 C SER A 20 -4.019 -15.122 -7.942 1.00 1.15 C ATOM 13 O SER A 20 -4.960 -14.546 -7.395 1.00 1.57 O ATOM 14 CB SER A 20 -2.808 -13.990 -9.818 1.00 1.94 C ATOM 15 OG SER A 20 -3.245 -12.702 -9.417 1.00 2.43 O ATOM 0 H SER A 20 -5.224 -13.816 -10.421 1.00 2.00 H new ATOM 0 HA SER A 20 -3.482 -16.030 -9.799 1.00 1.53 H new ATOM 0 HB2 SER A 20 -1.857 -14.220 -9.338 1.00 1.94 H new ATOM 0 HB3 SER A 20 -2.633 -13.999 -10.894 1.00 1.94 H new ATOM 0 HG SER A 20 -2.567 -12.037 -9.659 1.00 2.43 H new ATOM 21 N SER A 21 -3.114 -15.827 -7.270 1.00 0.84 N ATOM 22 CA SER A 21 -3.179 -15.965 -5.820 1.00 0.85 C ATOM 23 C SER A 21 -2.663 -14.710 -5.119 1.00 0.68 C ATOM 24 O SER A 21 -1.816 -13.984 -5.652 1.00 0.67 O ATOM 25 CB SER A 21 -2.385 -17.191 -5.362 1.00 1.25 C ATOM 26 OG SER A 21 -2.338 -17.269 -3.947 1.00 1.84 O ATOM 0 H SER A 21 -2.329 -16.310 -7.706 1.00 0.84 H new ATOM 0 HA SER A 21 -4.225 -16.099 -5.546 1.00 0.85 H new ATOM 0 HB2 SER A 21 -2.842 -18.095 -5.764 1.00 1.25 H new ATOM 0 HB3 SER A 21 -1.372 -17.142 -5.761 1.00 1.25 H new ATOM 0 HG SER A 21 -1.827 -18.061 -3.680 1.00 1.84 H new ATOM 32 N ILE A 22 -3.183 -14.465 -3.919 1.00 0.80 N ATOM 33 CA ILE A 22 -2.793 -13.305 -3.125 1.00 0.68 C ATOM 34 C ILE A 22 -2.433 -13.728 -1.710 1.00 0.61 C ATOM 35 O ILE A 22 -3.201 -14.434 -1.057 1.00 0.68 O ATOM 36 CB ILE A 22 -3.942 -12.282 -3.022 1.00 0.79 C ATOM 37 CG1 ILE A 22 -4.564 -12.014 -4.390 1.00 1.65 C ATOM 38 CG2 ILE A 22 -3.436 -10.985 -2.409 1.00 1.49 C ATOM 39 CD1 ILE A 22 -6.072 -11.889 -4.351 1.00 2.15 C ATOM 0 H ILE A 22 -3.881 -15.060 -3.473 1.00 0.80 H new ATOM 0 HA ILE A 22 -1.937 -12.853 -3.625 1.00 0.68 H new ATOM 0 HB ILE A 22 -4.714 -12.702 -2.377 1.00 0.79 H new ATOM 0 HG12 ILE A 22 -4.141 -11.097 -4.800 1.00 1.65 H new ATOM 0 HG13 ILE A 22 -4.291 -12.822 -5.069 1.00 1.65 H new ATOM 0 HG21 ILE A 22 -4.256 -10.270 -2.341 1.00 1.49 H new ATOM 0 HG22 ILE A 22 -3.044 -11.183 -1.411 1.00 1.49 H new ATOM 0 HG23 ILE A 22 -2.645 -10.571 -3.034 1.00 1.49 H new ATOM 0 HD11 ILE A 22 -6.447 -11.699 -5.357 1.00 2.15 H new ATOM 0 HD12 ILE A 22 -6.504 -12.815 -3.971 1.00 2.15 H new ATOM 0 HD13 ILE A 22 -6.352 -11.063 -3.697 1.00 2.15 H new ATOM 51 N THR A 23 -1.278 -13.288 -1.226 1.00 0.54 N ATOM 52 CA THR A 23 -0.869 -13.632 0.130 1.00 0.56 C ATOM 53 C THR A 23 -1.391 -12.602 1.112 1.00 0.53 C ATOM 54 O THR A 23 -1.436 -11.407 0.822 1.00 0.56 O ATOM 55 CB THR A 23 0.649 -13.766 0.223 1.00 0.62 C ATOM 56 OG1 THR A 23 1.275 -13.026 -0.804 1.00 1.10 O ATOM 57 CG2 THR A 23 1.132 -15.196 0.114 1.00 1.12 C ATOM 0 H THR A 23 -0.619 -12.703 -1.740 1.00 0.54 H new ATOM 0 HA THR A 23 -1.300 -14.599 0.389 1.00 0.56 H new ATOM 0 HB THR A 23 0.915 -13.384 1.209 1.00 0.62 H new ATOM 0 HG1 THR A 23 2.015 -13.548 -1.179 1.00 1.10 H new ATOM 0 HG21 THR A 23 2.219 -15.219 0.188 1.00 1.12 H new ATOM 0 HG22 THR A 23 0.701 -15.788 0.921 1.00 1.12 H new ATOM 0 HG23 THR A 23 0.824 -15.612 -0.846 1.00 1.12 H new ATOM 65 N THR A 24 -1.837 -13.095 2.257 1.00 0.52 N ATOM 66 CA THR A 24 -2.426 -12.258 3.285 1.00 0.53 C ATOM 67 C THR A 24 -3.429 -11.286 2.690 1.00 0.50 C ATOM 68 O THR A 24 -3.132 -10.123 2.430 1.00 0.52 O ATOM 69 CB THR A 24 -1.416 -11.522 4.119 1.00 0.59 C ATOM 70 OG1 THR A 24 -0.183 -12.217 4.181 1.00 0.65 O ATOM 71 CG2 THR A 24 -1.939 -11.335 5.520 1.00 0.61 C ATOM 0 H THR A 24 -1.800 -14.086 2.497 1.00 0.52 H new ATOM 0 HA THR A 24 -2.942 -12.942 3.959 1.00 0.53 H new ATOM 0 HB THR A 24 -1.248 -10.554 3.646 1.00 0.59 H new ATOM 0 HG1 THR A 24 0.451 -11.710 4.730 1.00 0.65 H new ATOM 0 HG21 THR A 24 -1.199 -10.801 6.116 1.00 0.61 H new ATOM 0 HG22 THR A 24 -2.864 -10.760 5.489 1.00 0.61 H new ATOM 0 HG23 THR A 24 -2.132 -12.309 5.969 1.00 0.61 H new ATOM 79 N PRO A 25 -4.634 -11.790 2.466 1.00 0.49 N ATOM 80 CA PRO A 25 -5.738 -11.031 1.887 1.00 0.49 C ATOM 81 C PRO A 25 -6.434 -10.115 2.889 1.00 0.52 C ATOM 82 O PRO A 25 -7.185 -9.220 2.504 1.00 0.88 O ATOM 83 CB PRO A 25 -6.679 -12.120 1.410 1.00 0.52 C ATOM 84 CG PRO A 25 -6.437 -13.270 2.336 1.00 0.52 C ATOM 85 CD PRO A 25 -4.992 -13.177 2.761 1.00 0.50 C ATOM 0 HA PRO A 25 -5.398 -10.354 1.103 1.00 0.49 H new ATOM 0 HB2 PRO A 25 -7.717 -11.791 1.451 1.00 0.52 H new ATOM 0 HB3 PRO A 25 -6.473 -12.395 0.376 1.00 0.52 H new ATOM 0 HG2 PRO A 25 -7.100 -13.219 3.200 1.00 0.52 H new ATOM 0 HG3 PRO A 25 -6.635 -14.219 1.837 1.00 0.52 H new ATOM 0 HD2 PRO A 25 -4.870 -13.406 3.820 1.00 0.50 H new ATOM 0 HD3 PRO A 25 -4.366 -13.878 2.209 1.00 0.50 H new ATOM 93 N GLU A 26 -6.166 -10.327 4.171 1.00 0.35 N ATOM 94 CA GLU A 26 -6.749 -9.499 5.221 1.00 0.34 C ATOM 95 C GLU A 26 -5.707 -9.256 6.307 1.00 0.33 C ATOM 96 O GLU A 26 -5.092 -10.202 6.801 1.00 0.37 O ATOM 97 CB GLU A 26 -7.992 -10.171 5.809 1.00 0.38 C ATOM 98 CG GLU A 26 -9.161 -10.239 4.840 1.00 1.33 C ATOM 99 CD GLU A 26 -10.382 -10.909 5.441 1.00 1.57 C ATOM 100 OE1 GLU A 26 -10.264 -11.483 6.544 1.00 2.05 O ATOM 101 OE2 GLU A 26 -11.459 -10.855 4.810 1.00 2.06 O ATOM 0 H GLU A 26 -5.549 -11.065 4.510 1.00 0.35 H new ATOM 0 HA GLU A 26 -7.055 -8.543 4.796 1.00 0.34 H new ATOM 0 HB2 GLU A 26 -7.733 -11.182 6.125 1.00 0.38 H new ATOM 0 HB3 GLU A 26 -8.301 -9.627 6.701 1.00 0.38 H new ATOM 0 HG2 GLU A 26 -9.424 -9.230 4.524 1.00 1.33 H new ATOM 0 HG3 GLU A 26 -8.856 -10.784 3.947 1.00 1.33 H new ATOM 108 N GLU A 27 -5.463 -7.990 6.643 1.00 0.29 N ATOM 109 CA GLU A 27 -4.436 -7.672 7.630 1.00 0.28 C ATOM 110 C GLU A 27 -4.772 -6.487 8.537 1.00 0.25 C ATOM 111 O GLU A 27 -5.525 -5.586 8.168 1.00 0.25 O ATOM 112 CB GLU A 27 -3.139 -7.388 6.895 1.00 0.28 C ATOM 113 CG GLU A 27 -1.975 -8.253 7.350 1.00 0.40 C ATOM 114 CD GLU A 27 -0.749 -8.094 6.472 1.00 0.91 C ATOM 115 OE1 GLU A 27 -0.794 -8.533 5.304 1.00 1.66 O ATOM 116 OE2 GLU A 27 0.257 -7.532 6.954 1.00 1.71 O ATOM 0 H GLU A 27 -5.952 -7.183 6.255 1.00 0.29 H new ATOM 0 HA GLU A 27 -4.356 -8.536 8.289 1.00 0.28 H new ATOM 0 HB2 GLU A 27 -3.297 -7.539 5.827 1.00 0.28 H new ATOM 0 HB3 GLU A 27 -2.876 -6.339 7.033 1.00 0.28 H new ATOM 0 HG2 GLU A 27 -1.717 -7.996 8.377 1.00 0.40 H new ATOM 0 HG3 GLU A 27 -2.283 -9.299 7.351 1.00 0.40 H new ATOM 123 N MET A 28 -4.145 -6.493 9.716 1.00 0.25 N ATOM 124 CA MET A 28 -4.285 -5.424 10.702 1.00 0.24 C ATOM 125 C MET A 28 -2.928 -5.148 11.350 1.00 0.25 C ATOM 126 O MET A 28 -2.377 -6.007 12.038 1.00 0.32 O ATOM 127 CB MET A 28 -5.312 -5.791 11.769 1.00 0.28 C ATOM 128 CG MET A 28 -6.728 -5.360 11.426 1.00 0.99 C ATOM 129 SD MET A 28 -7.949 -5.991 12.592 1.00 0.99 S ATOM 130 CE MET A 28 -7.979 -7.726 12.146 1.00 1.86 C ATOM 0 H MET A 28 -3.523 -7.245 10.013 1.00 0.25 H new ATOM 0 HA MET A 28 -4.637 -4.526 10.194 1.00 0.24 H new ATOM 0 HB2 MET A 28 -5.296 -6.870 11.920 1.00 0.28 H new ATOM 0 HB3 MET A 28 -5.021 -5.333 12.714 1.00 0.28 H new ATOM 0 HG2 MET A 28 -6.778 -4.271 11.408 1.00 0.99 H new ATOM 0 HG3 MET A 28 -6.976 -5.707 10.423 1.00 0.99 H new ATOM 0 HE1 MET A 28 -8.878 -8.190 12.551 1.00 1.86 H new ATOM 0 HE2 MET A 28 -7.978 -7.823 11.060 1.00 1.86 H new ATOM 0 HE3 MET A 28 -7.099 -8.222 12.555 1.00 1.86 H new ATOM 140 N ILE A 29 -2.381 -3.959 11.109 1.00 0.22 N ATOM 141 CA ILE A 29 -1.075 -3.593 11.654 1.00 0.24 C ATOM 142 C ILE A 29 -1.139 -2.360 12.562 1.00 0.20 C ATOM 143 O ILE A 29 -1.529 -1.275 12.130 1.00 0.20 O ATOM 144 CB ILE A 29 -0.058 -3.355 10.513 1.00 0.30 C ATOM 145 CG1 ILE A 29 0.106 -4.639 9.697 1.00 0.36 C ATOM 146 CG2 ILE A 29 1.290 -2.886 11.054 1.00 0.35 C ATOM 147 CD1 ILE A 29 -0.904 -4.772 8.587 1.00 0.39 C ATOM 0 H ILE A 29 -2.820 -3.234 10.542 1.00 0.22 H new ATOM 0 HA ILE A 29 -0.746 -4.432 12.268 1.00 0.24 H new ATOM 0 HB ILE A 29 -0.442 -2.564 9.869 1.00 0.30 H new ATOM 0 HG12 ILE A 29 1.109 -4.665 9.271 1.00 0.36 H new ATOM 0 HG13 ILE A 29 0.020 -5.498 10.363 1.00 0.36 H new ATOM 0 HG21 ILE A 29 1.980 -2.729 10.225 1.00 0.35 H new ATOM 0 HG22 ILE A 29 1.158 -1.951 11.599 1.00 0.35 H new ATOM 0 HG23 ILE A 29 1.696 -3.643 11.725 1.00 0.35 H new ATOM 0 HD11 ILE A 29 -0.732 -5.704 8.048 1.00 0.39 H new ATOM 0 HD12 ILE A 29 -1.909 -4.777 9.008 1.00 0.39 H new ATOM 0 HD13 ILE A 29 -0.803 -3.932 7.900 1.00 0.39 H new ATOM 159 N GLU A 30 -0.729 -2.542 13.818 1.00 0.21 N ATOM 160 CA GLU A 30 -0.707 -1.454 14.796 1.00 0.20 C ATOM 161 C GLU A 30 0.722 -0.930 14.960 1.00 0.23 C ATOM 162 O GLU A 30 1.643 -1.709 15.210 1.00 0.28 O ATOM 163 CB GLU A 30 -1.236 -1.946 16.146 1.00 0.25 C ATOM 164 CG GLU A 30 -2.665 -2.465 16.097 1.00 0.28 C ATOM 165 CD GLU A 30 -3.159 -2.945 17.448 1.00 0.34 C ATOM 166 OE1 GLU A 30 -2.333 -3.054 18.379 1.00 1.19 O ATOM 167 OE2 GLU A 30 -4.373 -3.214 17.575 1.00 1.08 O ATOM 0 H GLU A 30 -0.406 -3.438 14.183 1.00 0.21 H new ATOM 0 HA GLU A 30 -1.347 -0.647 14.438 1.00 0.20 H new ATOM 0 HB2 GLU A 30 -0.584 -2.739 16.513 1.00 0.25 H new ATOM 0 HB3 GLU A 30 -1.181 -1.129 16.866 1.00 0.25 H new ATOM 0 HG2 GLU A 30 -3.322 -1.675 15.734 1.00 0.28 H new ATOM 0 HG3 GLU A 30 -2.726 -3.284 15.380 1.00 0.28 H new ATOM 174 N LYS A 31 0.915 0.380 14.810 1.00 0.22 N ATOM 175 CA LYS A 31 2.249 0.964 14.935 1.00 0.26 C ATOM 176 C LYS A 31 2.192 2.323 15.637 1.00 0.26 C ATOM 177 O LYS A 31 1.160 2.987 15.626 1.00 0.25 O ATOM 178 CB LYS A 31 2.879 1.107 13.551 1.00 0.28 C ATOM 179 CG LYS A 31 4.368 1.401 13.578 1.00 1.11 C ATOM 180 CD LYS A 31 5.163 0.194 14.053 1.00 1.10 C ATOM 181 CE LYS A 31 6.656 0.385 13.834 1.00 2.10 C ATOM 182 NZ LYS A 31 7.330 -0.885 13.442 1.00 2.52 N ATOM 0 H LYS A 31 0.174 1.050 14.604 1.00 0.22 H new ATOM 0 HA LYS A 31 2.863 0.300 15.544 1.00 0.26 H new ATOM 0 HB2 LYS A 31 2.711 0.188 12.990 1.00 0.28 H new ATOM 0 HB3 LYS A 31 2.371 1.907 13.013 1.00 0.28 H new ATOM 0 HG2 LYS A 31 4.702 1.689 12.581 1.00 1.11 H new ATOM 0 HG3 LYS A 31 4.561 2.248 14.236 1.00 1.11 H new ATOM 0 HD2 LYS A 31 4.969 0.024 15.112 1.00 1.10 H new ATOM 0 HD3 LYS A 31 4.828 -0.696 13.520 1.00 1.10 H new ATOM 0 HE2 LYS A 31 6.816 1.134 13.059 1.00 2.10 H new ATOM 0 HE3 LYS A 31 7.110 0.769 14.747 1.00 2.10 H new ATOM 0 HZ1 LYS A 31 8.346 -0.710 13.303 1.00 2.52 H new ATOM 0 HZ2 LYS A 31 7.200 -1.593 14.193 1.00 2.52 H new ATOM 0 HZ3 LYS A 31 6.915 -1.239 12.557 1.00 2.52 H new ATOM 196 N ALA A 32 3.303 2.730 16.247 1.00 0.29 N ATOM 197 CA ALA A 32 3.366 4.011 16.951 1.00 0.32 C ATOM 198 C ALA A 32 3.497 5.189 15.983 1.00 0.29 C ATOM 199 O ALA A 32 4.163 5.089 14.955 1.00 0.28 O ATOM 200 CB ALA A 32 4.518 4.007 17.946 1.00 0.39 C ATOM 0 H ALA A 32 4.170 2.194 16.269 1.00 0.29 H new ATOM 0 HA ALA A 32 2.428 4.138 17.491 1.00 0.32 H new ATOM 0 HB1 ALA A 32 4.555 4.965 18.464 1.00 0.39 H new ATOM 0 HB2 ALA A 32 4.369 3.208 18.672 1.00 0.39 H new ATOM 0 HB3 ALA A 32 5.456 3.845 17.416 1.00 0.39 H new ATOM 206 N LYS A 33 2.853 6.308 16.323 1.00 0.30 N ATOM 207 CA LYS A 33 2.897 7.510 15.487 1.00 0.31 C ATOM 208 C LYS A 33 4.327 7.865 15.087 1.00 0.30 C ATOM 209 O LYS A 33 5.228 7.898 15.926 1.00 0.38 O ATOM 210 CB LYS A 33 2.264 8.701 16.213 1.00 0.37 C ATOM 211 CG LYS A 33 2.202 9.962 15.365 1.00 0.97 C ATOM 212 CD LYS A 33 1.754 11.164 16.181 1.00 1.12 C ATOM 213 CE LYS A 33 1.458 12.363 15.292 1.00 1.91 C ATOM 214 NZ LYS A 33 0.963 13.531 16.072 1.00 2.35 N ATOM 0 H LYS A 33 2.295 6.407 17.171 1.00 0.30 H new ATOM 0 HA LYS A 33 2.328 7.291 14.584 1.00 0.31 H new ATOM 0 HB2 LYS A 33 1.255 8.432 16.525 1.00 0.37 H new ATOM 0 HB3 LYS A 33 2.833 8.909 17.119 1.00 0.37 H new ATOM 0 HG2 LYS A 33 3.183 10.160 14.934 1.00 0.97 H new ATOM 0 HG3 LYS A 33 1.514 9.809 14.534 1.00 0.97 H new ATOM 0 HD2 LYS A 33 0.863 10.905 16.753 1.00 1.12 H new ATOM 0 HD3 LYS A 33 2.530 11.426 16.901 1.00 1.12 H new ATOM 0 HE2 LYS A 33 2.362 12.645 14.752 1.00 1.91 H new ATOM 0 HE3 LYS A 33 0.714 12.085 14.545 1.00 1.91 H new ATOM 0 HZ1 LYS A 33 0.420 14.161 15.447 1.00 2.35 H new ATOM 0 HZ2 LYS A 33 0.352 13.198 16.845 1.00 2.35 H new ATOM 0 HZ3 LYS A 33 1.771 14.051 16.469 1.00 2.35 H new ATOM 228 N GLY A 34 4.523 8.139 13.802 1.00 0.28 N ATOM 229 CA GLY A 34 5.838 8.501 13.303 1.00 0.30 C ATOM 230 C GLY A 34 6.677 7.298 12.924 1.00 0.29 C ATOM 231 O GLY A 34 7.673 7.427 12.212 1.00 0.31 O ATOM 0 H GLY A 34 3.790 8.117 13.093 1.00 0.28 H new ATOM 0 HA2 GLY A 34 5.725 9.148 12.433 1.00 0.30 H new ATOM 0 HA3 GLY A 34 6.363 9.079 14.064 1.00 0.30 H new ATOM 235 N GLU A 35 6.269 6.123 13.380 1.00 0.30 N ATOM 236 CA GLU A 35 6.982 4.901 13.055 1.00 0.31 C ATOM 237 C GLU A 35 6.581 4.452 11.661 1.00 0.27 C ATOM 238 O GLU A 35 5.528 4.848 11.166 1.00 0.24 O ATOM 239 CB GLU A 35 6.659 3.811 14.072 1.00 0.36 C ATOM 240 CG GLU A 35 7.235 4.084 15.453 1.00 0.43 C ATOM 241 CD GLU A 35 6.908 2.994 16.454 1.00 1.30 C ATOM 242 OE1 GLU A 35 6.072 2.122 16.134 1.00 2.00 O ATOM 243 OE2 GLU A 35 7.483 3.015 17.563 1.00 2.11 O ATOM 0 H GLU A 35 5.450 5.992 13.974 1.00 0.30 H new ATOM 0 HA GLU A 35 8.055 5.088 13.085 1.00 0.31 H new ATOM 0 HB2 GLU A 35 5.577 3.708 14.152 1.00 0.36 H new ATOM 0 HB3 GLU A 35 7.044 2.859 13.708 1.00 0.36 H new ATOM 0 HG2 GLU A 35 8.317 4.187 15.376 1.00 0.43 H new ATOM 0 HG3 GLU A 35 6.850 5.035 15.820 1.00 0.43 H new ATOM 250 N THR A 36 7.405 3.638 11.021 1.00 0.29 N ATOM 251 CA THR A 36 7.078 3.176 9.683 1.00 0.26 C ATOM 252 C THR A 36 6.249 1.894 9.733 1.00 0.25 C ATOM 253 O THR A 36 6.634 0.926 10.389 1.00 0.27 O ATOM 254 CB THR A 36 8.337 2.929 8.860 1.00 0.29 C ATOM 255 OG1 THR A 36 9.194 4.057 8.888 1.00 0.33 O ATOM 256 CG2 THR A 36 8.028 2.616 7.412 1.00 0.28 C ATOM 0 H THR A 36 8.287 3.290 11.397 1.00 0.29 H new ATOM 0 HA THR A 36 6.493 3.963 9.207 1.00 0.26 H new ATOM 0 HB THR A 36 8.825 2.067 9.316 1.00 0.29 H new ATOM 0 HG1 THR A 36 9.995 3.873 8.354 1.00 0.33 H new ATOM 0 HG21 THR A 36 8.958 2.448 6.869 1.00 0.28 H new ATOM 0 HG22 THR A 36 7.410 1.720 7.357 1.00 0.28 H new ATOM 0 HG23 THR A 36 7.493 3.454 6.965 1.00 0.28 H new ATOM 264 N ALA A 37 5.118 1.883 9.031 1.00 0.24 N ATOM 265 CA ALA A 37 4.259 0.702 8.999 1.00 0.24 C ATOM 266 C ALA A 37 4.485 -0.092 7.719 1.00 0.23 C ATOM 267 O ALA A 37 4.275 0.415 6.617 1.00 0.22 O ATOM 268 CB ALA A 37 2.797 1.095 9.127 1.00 0.26 C ATOM 0 H ALA A 37 4.777 2.672 8.481 1.00 0.24 H new ATOM 0 HA ALA A 37 4.520 0.071 9.848 1.00 0.24 H new ATOM 0 HB1 ALA A 37 2.176 0.200 9.101 1.00 0.26 H new ATOM 0 HB2 ALA A 37 2.642 1.617 10.071 1.00 0.26 H new ATOM 0 HB3 ALA A 37 2.523 1.751 8.301 1.00 0.26 H new ATOM 274 N TYR A 38 4.922 -1.333 7.874 1.00 0.25 N ATOM 275 CA TYR A 38 5.192 -2.201 6.734 1.00 0.26 C ATOM 276 C TYR A 38 3.913 -2.812 6.162 1.00 0.25 C ATOM 277 O TYR A 38 3.216 -3.566 6.841 1.00 0.29 O ATOM 278 CB TYR A 38 6.160 -3.307 7.158 1.00 0.29 C ATOM 279 CG TYR A 38 6.514 -4.277 6.054 1.00 0.40 C ATOM 280 CD1 TYR A 38 7.216 -3.857 4.933 1.00 1.34 C ATOM 281 CD2 TYR A 38 6.155 -5.615 6.141 1.00 1.19 C ATOM 282 CE1 TYR A 38 7.547 -4.744 3.927 1.00 1.43 C ATOM 283 CE2 TYR A 38 6.483 -6.508 5.139 1.00 1.25 C ATOM 284 CZ TYR A 38 7.179 -6.067 4.034 1.00 0.74 C ATOM 285 OH TYR A 38 7.507 -6.953 3.034 1.00 0.92 O ATOM 0 H TYR A 38 5.098 -1.764 8.781 1.00 0.25 H new ATOM 0 HA TYR A 38 5.639 -1.595 5.947 1.00 0.26 H new ATOM 0 HB2 TYR A 38 7.076 -2.849 7.532 1.00 0.29 H new ATOM 0 HB3 TYR A 38 5.720 -3.862 7.987 1.00 0.29 H new ATOM 0 HD1 TYR A 38 7.508 -2.821 4.846 1.00 1.34 H new ATOM 0 HD2 TYR A 38 5.610 -5.964 7.006 1.00 1.19 H new ATOM 0 HE1 TYR A 38 8.092 -4.401 3.060 1.00 1.43 H new ATOM 0 HE2 TYR A 38 6.196 -7.546 5.221 1.00 1.25 H new ATOM 0 HH TYR A 38 7.395 -7.870 3.360 1.00 0.92 H new ATOM 295 N LEU A 39 3.632 -2.512 4.894 1.00 0.24 N ATOM 296 CA LEU A 39 2.466 -3.064 4.215 1.00 0.24 C ATOM 297 C LEU A 39 2.949 -4.059 3.166 1.00 0.23 C ATOM 298 O LEU A 39 3.501 -3.661 2.141 1.00 0.21 O ATOM 299 CB LEU A 39 1.645 -1.948 3.564 1.00 0.24 C ATOM 300 CG LEU A 39 1.456 -0.693 4.424 1.00 0.28 C ATOM 301 CD1 LEU A 39 0.476 0.268 3.765 1.00 0.80 C ATOM 302 CD2 LEU A 39 0.982 -1.067 5.824 1.00 0.80 C ATOM 0 H LEU A 39 4.198 -1.889 4.318 1.00 0.24 H new ATOM 0 HA LEU A 39 1.821 -3.569 4.934 1.00 0.24 H new ATOM 0 HB2 LEU A 39 2.128 -1.660 2.630 1.00 0.24 H new ATOM 0 HB3 LEU A 39 0.663 -2.344 3.306 1.00 0.24 H new ATOM 0 HG LEU A 39 2.420 -0.191 4.512 1.00 0.28 H new ATOM 0 HD11 LEU A 39 0.356 1.152 4.392 1.00 0.80 H new ATOM 0 HD12 LEU A 39 0.858 0.565 2.788 1.00 0.80 H new ATOM 0 HD13 LEU A 39 -0.489 -0.224 3.643 1.00 0.80 H new ATOM 0 HD21 LEU A 39 0.854 -0.162 6.419 1.00 0.80 H new ATOM 0 HD22 LEU A 39 0.031 -1.595 5.757 1.00 0.80 H new ATOM 0 HD23 LEU A 39 1.722 -1.711 6.299 1.00 0.80 H new ATOM 314 N PRO A 40 2.810 -5.371 3.427 1.00 0.25 N ATOM 315 CA PRO A 40 3.304 -6.400 2.521 1.00 0.24 C ATOM 316 C PRO A 40 2.317 -6.892 1.466 1.00 0.27 C ATOM 317 O PRO A 40 1.454 -7.724 1.746 1.00 0.31 O ATOM 318 CB PRO A 40 3.643 -7.536 3.481 1.00 0.26 C ATOM 319 CG PRO A 40 2.677 -7.396 4.615 1.00 0.42 C ATOM 320 CD PRO A 40 2.231 -5.952 4.650 1.00 0.27 C ATOM 0 HA PRO A 40 4.125 -6.012 1.919 1.00 0.24 H new ATOM 0 HB2 PRO A 40 3.540 -8.506 2.994 1.00 0.26 H new ATOM 0 HB3 PRO A 40 4.673 -7.462 3.830 1.00 0.26 H new ATOM 0 HG2 PRO A 40 1.823 -8.059 4.476 1.00 0.42 H new ATOM 0 HG3 PRO A 40 3.148 -7.676 5.558 1.00 0.42 H new ATOM 0 HD2 PRO A 40 1.144 -5.870 4.655 1.00 0.27 H new ATOM 0 HD3 PRO A 40 2.593 -5.444 5.544 1.00 0.27 H new ATOM 328 N CYS A 41 2.516 -6.437 0.230 1.00 0.26 N ATOM 329 CA CYS A 41 1.717 -6.895 -0.896 1.00 0.30 C ATOM 330 C CYS A 41 2.535 -7.937 -1.641 1.00 0.28 C ATOM 331 O CYS A 41 3.698 -7.696 -1.966 1.00 0.35 O ATOM 332 CB CYS A 41 1.338 -5.747 -1.832 1.00 0.35 C ATOM 333 SG CYS A 41 -0.299 -5.921 -2.630 1.00 1.03 S ATOM 0 H CYS A 41 3.228 -5.748 -0.014 1.00 0.26 H new ATOM 0 HA CYS A 41 0.782 -7.318 -0.530 1.00 0.30 H new ATOM 0 HB2 CYS A 41 1.355 -4.815 -1.267 1.00 0.35 H new ATOM 0 HB3 CYS A 41 2.099 -5.663 -2.608 1.00 0.35 H new ATOM 338 N LYS A 42 1.954 -9.094 -1.896 1.00 0.29 N ATOM 339 CA LYS A 42 2.680 -10.152 -2.584 1.00 0.28 C ATOM 340 C LYS A 42 1.774 -10.872 -3.574 1.00 0.32 C ATOM 341 O LYS A 42 0.877 -11.634 -3.186 1.00 0.59 O ATOM 342 CB LYS A 42 3.249 -11.148 -1.570 1.00 0.30 C ATOM 343 CG LYS A 42 4.191 -10.531 -0.545 1.00 0.46 C ATOM 344 CD LYS A 42 5.509 -10.099 -1.165 1.00 0.46 C ATOM 345 CE LYS A 42 6.583 -9.907 -0.103 1.00 1.21 C ATOM 346 NZ LYS A 42 6.147 -8.968 0.968 1.00 1.66 N ATOM 0 H LYS A 42 0.994 -9.327 -1.642 1.00 0.29 H new ATOM 0 HA LYS A 42 3.503 -9.700 -3.137 1.00 0.28 H new ATOM 0 HB2 LYS A 42 2.422 -11.626 -1.045 1.00 0.30 H new ATOM 0 HB3 LYS A 42 3.781 -11.933 -2.108 1.00 0.30 H new ATOM 0 HG2 LYS A 42 3.709 -9.669 -0.083 1.00 0.46 H new ATOM 0 HG3 LYS A 42 4.384 -11.252 0.249 1.00 0.46 H new ATOM 0 HD2 LYS A 42 5.837 -10.848 -1.886 1.00 0.46 H new ATOM 0 HD3 LYS A 42 5.367 -9.168 -1.714 1.00 0.46 H new ATOM 0 HE2 LYS A 42 6.832 -10.872 0.340 1.00 1.21 H new ATOM 0 HE3 LYS A 42 7.491 -9.527 -0.571 1.00 1.21 H new ATOM 0 HZ1 LYS A 42 6.919 -8.839 1.652 1.00 1.66 H new ATOM 0 HZ2 LYS A 42 5.902 -8.050 0.546 1.00 1.66 H new ATOM 0 HZ3 LYS A 42 5.315 -9.359 1.455 1.00 1.66 H new ATOM 360 N PHE A 43 2.017 -10.607 -4.853 1.00 0.37 N ATOM 361 CA PHE A 43 1.239 -11.199 -5.933 1.00 0.39 C ATOM 362 C PHE A 43 1.956 -12.390 -6.558 1.00 0.34 C ATOM 363 O PHE A 43 3.171 -12.361 -6.753 1.00 0.34 O ATOM 364 CB PHE A 43 0.945 -10.142 -6.993 1.00 0.43 C ATOM 365 CG PHE A 43 2.173 -9.480 -7.557 1.00 0.40 C ATOM 366 CD1 PHE A 43 2.715 -8.348 -6.956 1.00 1.23 C ATOM 367 CD2 PHE A 43 2.786 -9.989 -8.690 1.00 1.25 C ATOM 368 CE1 PHE A 43 3.843 -7.746 -7.477 1.00 1.23 C ATOM 369 CE2 PHE A 43 3.914 -9.388 -9.213 1.00 1.26 C ATOM 370 CZ PHE A 43 4.443 -8.267 -8.606 1.00 0.43 C ATOM 0 H PHE A 43 2.756 -9.978 -5.169 1.00 0.37 H new ATOM 0 HA PHE A 43 0.302 -11.566 -5.513 1.00 0.39 H new ATOM 0 HB2 PHE A 43 0.388 -10.605 -7.808 1.00 0.43 H new ATOM 0 HB3 PHE A 43 0.300 -9.378 -6.560 1.00 0.43 H new ATOM 0 HD1 PHE A 43 2.249 -7.936 -6.073 1.00 1.23 H new ATOM 0 HD2 PHE A 43 2.377 -10.866 -9.170 1.00 1.25 H new ATOM 0 HE1 PHE A 43 4.256 -6.868 -7.002 1.00 1.23 H new ATOM 0 HE2 PHE A 43 4.382 -9.795 -10.097 1.00 1.26 H new ATOM 0 HZ PHE A 43 5.326 -7.798 -9.014 1.00 0.43 H new ATOM 380 N THR A 44 1.198 -13.435 -6.880 1.00 0.37 N ATOM 381 CA THR A 44 1.779 -14.626 -7.495 1.00 0.39 C ATOM 382 C THR A 44 1.998 -14.407 -8.987 1.00 0.46 C ATOM 383 O THR A 44 1.163 -13.815 -9.670 1.00 0.68 O ATOM 384 CB THR A 44 0.883 -15.844 -7.276 1.00 0.51 C ATOM 385 OG1 THR A 44 -0.081 -15.580 -6.278 1.00 1.30 O ATOM 386 CG2 THR A 44 1.649 -17.081 -6.860 1.00 1.33 C ATOM 0 H THR A 44 0.191 -13.482 -6.728 1.00 0.37 H new ATOM 0 HA THR A 44 2.742 -14.811 -7.020 1.00 0.39 H new ATOM 0 HB THR A 44 0.411 -16.036 -8.240 1.00 0.51 H new ATOM 0 HG1 THR A 44 -0.786 -15.008 -6.647 1.00 1.30 H new ATOM 0 HG21 THR A 44 0.954 -17.909 -6.721 1.00 1.33 H new ATOM 0 HG22 THR A 44 2.371 -17.339 -7.634 1.00 1.33 H new ATOM 0 HG23 THR A 44 2.174 -16.887 -5.925 1.00 1.33 H new ATOM 394 N LEU A 45 3.132 -14.884 -9.482 1.00 0.59 N ATOM 395 CA LEU A 45 3.478 -14.740 -10.891 1.00 0.77 C ATOM 396 C LEU A 45 3.106 -15.983 -11.692 1.00 0.76 C ATOM 397 O LEU A 45 3.272 -17.109 -11.222 1.00 0.85 O ATOM 398 CB LEU A 45 4.974 -14.461 -11.039 1.00 1.07 C ATOM 399 CG LEU A 45 5.454 -13.155 -10.405 1.00 1.55 C ATOM 400 CD1 LEU A 45 6.963 -13.023 -10.530 1.00 2.09 C ATOM 401 CD2 LEU A 45 4.758 -11.970 -11.054 1.00 2.12 C ATOM 0 H LEU A 45 3.831 -15.376 -8.926 1.00 0.59 H new ATOM 0 HA LEU A 45 2.907 -13.900 -11.286 1.00 0.77 H new ATOM 0 HB2 LEU A 45 5.528 -15.288 -10.595 1.00 1.07 H new ATOM 0 HB3 LEU A 45 5.222 -14.445 -12.100 1.00 1.07 H new ATOM 0 HG LEU A 45 5.200 -13.169 -9.345 1.00 1.55 H new ATOM 0 HD11 LEU A 45 7.285 -12.087 -10.073 1.00 2.09 H new ATOM 0 HD12 LEU A 45 7.445 -13.859 -10.023 1.00 2.09 H new ATOM 0 HD13 LEU A 45 7.243 -13.028 -11.584 1.00 2.09 H new ATOM 0 HD21 LEU A 45 5.108 -11.046 -10.594 1.00 2.12 H new ATOM 0 HD22 LEU A 45 4.985 -11.954 -12.120 1.00 2.12 H new ATOM 0 HD23 LEU A 45 3.681 -12.059 -10.914 1.00 2.12 H new ATOM 413 N SER A 46 2.620 -15.772 -12.912 1.00 0.97 N ATOM 414 CA SER A 46 2.247 -16.868 -13.787 1.00 1.09 C ATOM 415 C SER A 46 2.432 -16.440 -15.237 1.00 0.93 C ATOM 416 O SER A 46 2.060 -15.328 -15.612 1.00 0.74 O ATOM 417 CB SER A 46 0.796 -17.286 -13.541 1.00 1.24 C ATOM 418 OG SER A 46 0.607 -17.710 -12.202 1.00 1.75 O ATOM 0 H SER A 46 2.477 -14.846 -13.314 1.00 0.97 H new ATOM 0 HA SER A 46 2.887 -17.725 -13.576 1.00 1.09 H new ATOM 0 HB2 SER A 46 0.132 -16.450 -13.758 1.00 1.24 H new ATOM 0 HB3 SER A 46 0.526 -18.093 -14.223 1.00 1.24 H new ATOM 0 HG SER A 46 -0.329 -17.970 -12.070 1.00 1.75 H new ATOM 424 N PRO A 47 3.018 -17.308 -16.076 1.00 1.10 N ATOM 425 CA PRO A 47 3.256 -16.999 -17.484 1.00 1.09 C ATOM 426 C PRO A 47 2.030 -16.396 -18.157 1.00 0.86 C ATOM 427 O PRO A 47 2.150 -15.665 -19.139 1.00 0.84 O ATOM 428 CB PRO A 47 3.603 -18.361 -18.112 1.00 1.35 C ATOM 429 CG PRO A 47 3.380 -19.379 -17.038 1.00 1.61 C ATOM 430 CD PRO A 47 3.501 -18.649 -15.732 1.00 1.38 C ATOM 0 HA PRO A 47 4.044 -16.256 -17.605 1.00 1.09 H new ATOM 0 HB2 PRO A 47 2.973 -18.563 -18.978 1.00 1.35 H new ATOM 0 HB3 PRO A 47 4.636 -18.379 -18.458 1.00 1.35 H new ATOM 0 HG2 PRO A 47 2.397 -19.839 -17.137 1.00 1.61 H new ATOM 0 HG3 PRO A 47 4.115 -20.181 -17.104 1.00 1.61 H new ATOM 0 HD2 PRO A 47 2.897 -19.111 -14.951 1.00 1.38 H new ATOM 0 HD3 PRO A 47 4.529 -18.630 -15.371 1.00 1.38 H new ATOM 438 N GLU A 48 0.852 -16.706 -17.625 1.00 0.80 N ATOM 439 CA GLU A 48 -0.384 -16.191 -18.179 1.00 0.71 C ATOM 440 C GLU A 48 -0.577 -14.729 -17.824 1.00 0.59 C ATOM 441 O GLU A 48 -1.018 -13.941 -18.659 1.00 0.55 O ATOM 442 CB GLU A 48 -1.574 -17.021 -17.695 1.00 0.88 C ATOM 443 CG GLU A 48 -2.909 -16.555 -18.253 1.00 1.24 C ATOM 444 CD GLU A 48 -4.074 -17.392 -17.760 1.00 1.51 C ATOM 445 OE1 GLU A 48 -3.828 -18.446 -17.138 1.00 1.78 O ATOM 446 OE2 GLU A 48 -5.234 -16.992 -17.998 1.00 2.18 O ATOM 0 H GLU A 48 0.733 -17.311 -16.812 1.00 0.80 H new ATOM 0 HA GLU A 48 -0.323 -16.268 -19.265 1.00 0.71 H new ATOM 0 HB2 GLU A 48 -1.417 -18.063 -17.974 1.00 0.88 H new ATOM 0 HB3 GLU A 48 -1.612 -16.985 -16.606 1.00 0.88 H new ATOM 0 HG2 GLU A 48 -3.071 -15.514 -17.974 1.00 1.24 H new ATOM 0 HG3 GLU A 48 -2.876 -16.592 -19.342 1.00 1.24 H new ATOM 453 N ASP A 49 -0.237 -14.354 -16.592 1.00 0.60 N ATOM 454 CA ASP A 49 -0.388 -12.968 -16.187 1.00 0.52 C ATOM 455 C ASP A 49 0.689 -12.120 -16.852 1.00 0.52 C ATOM 456 O ASP A 49 1.674 -11.731 -16.223 1.00 0.62 O ATOM 457 CB ASP A 49 -0.343 -12.822 -14.662 1.00 0.61 C ATOM 458 CG ASP A 49 -1.569 -13.396 -13.979 1.00 1.62 C ATOM 459 OD1 ASP A 49 -2.680 -13.252 -14.529 1.00 2.41 O ATOM 460 OD2 ASP A 49 -1.418 -13.991 -12.891 1.00 2.27 O ATOM 0 H ASP A 49 0.136 -14.977 -15.876 1.00 0.60 H new ATOM 0 HA ASP A 49 -1.367 -12.615 -16.513 1.00 0.52 H new ATOM 0 HB2 ASP A 49 0.547 -13.322 -14.280 1.00 0.61 H new ATOM 0 HB3 ASP A 49 -0.251 -11.767 -14.405 1.00 0.61 H new ATOM 465 N GLN A 50 0.501 -11.869 -18.145 1.00 0.51 N ATOM 466 CA GLN A 50 1.459 -11.102 -18.935 1.00 0.63 C ATOM 467 C GLN A 50 1.073 -9.623 -19.034 1.00 0.58 C ATOM 468 O GLN A 50 1.822 -8.819 -19.587 1.00 0.69 O ATOM 469 CB GLN A 50 1.550 -11.702 -20.338 1.00 0.79 C ATOM 470 CG GLN A 50 2.002 -13.155 -20.353 1.00 0.81 C ATOM 471 CD GLN A 50 2.083 -13.723 -21.756 1.00 1.12 C ATOM 472 OE1 GLN A 50 1.475 -13.196 -22.687 1.00 1.44 O ATOM 473 NE2 GLN A 50 2.834 -14.807 -21.913 1.00 1.64 N ATOM 0 H GLN A 50 -0.313 -12.189 -18.671 1.00 0.51 H new ATOM 0 HA GLN A 50 2.425 -11.156 -18.433 1.00 0.63 H new ATOM 0 HB2 GLN A 50 0.575 -11.629 -20.819 1.00 0.79 H new ATOM 0 HB3 GLN A 50 2.244 -11.109 -20.933 1.00 0.79 H new ATOM 0 HG2 GLN A 50 2.979 -13.233 -19.876 1.00 0.81 H new ATOM 0 HG3 GLN A 50 1.309 -13.754 -19.761 1.00 0.81 H new ATOM 0 HE21 GLN A 50 3.321 -15.211 -21.113 1.00 1.64 H new ATOM 0 HE22 GLN A 50 2.924 -15.236 -22.834 1.00 1.64 H new ATOM 482 N GLY A 51 -0.094 -9.269 -18.505 1.00 0.47 N ATOM 483 CA GLY A 51 -0.545 -7.887 -18.560 1.00 0.49 C ATOM 484 C GLY A 51 0.270 -6.972 -17.665 1.00 0.52 C ATOM 485 O GLY A 51 1.021 -7.444 -16.816 1.00 0.55 O ATOM 0 H GLY A 51 -0.735 -9.911 -18.040 1.00 0.47 H new ATOM 0 HA2 GLY A 51 -0.486 -7.530 -19.588 1.00 0.49 H new ATOM 0 HA3 GLY A 51 -1.593 -7.839 -18.265 1.00 0.49 H new ATOM 489 N PRO A 52 0.147 -5.644 -17.831 1.00 0.58 N ATOM 490 CA PRO A 52 0.888 -4.679 -17.013 1.00 0.66 C ATOM 491 C PRO A 52 0.518 -4.787 -15.537 1.00 0.64 C ATOM 492 O PRO A 52 -0.662 -4.794 -15.184 1.00 0.68 O ATOM 493 CB PRO A 52 0.464 -3.317 -17.574 1.00 0.71 C ATOM 494 CG PRO A 52 -0.815 -3.575 -18.296 1.00 0.85 C ATOM 495 CD PRO A 52 -0.720 -4.980 -18.819 1.00 0.63 C ATOM 0 HA PRO A 52 1.964 -4.847 -17.059 1.00 0.66 H new ATOM 0 HB2 PRO A 52 0.326 -2.588 -16.776 1.00 0.71 H new ATOM 0 HB3 PRO A 52 1.222 -2.914 -18.246 1.00 0.71 H new ATOM 0 HG2 PRO A 52 -1.669 -3.464 -17.628 1.00 0.85 H new ATOM 0 HG3 PRO A 52 -0.953 -2.864 -19.111 1.00 0.85 H new ATOM 0 HD2 PRO A 52 -1.699 -5.455 -18.880 1.00 0.63 H new ATOM 0 HD3 PRO A 52 -0.288 -5.010 -19.819 1.00 0.63 H new ATOM 503 N LEU A 53 1.528 -4.877 -14.679 1.00 0.65 N ATOM 504 CA LEU A 53 1.301 -4.992 -13.242 1.00 0.67 C ATOM 505 C LEU A 53 0.949 -3.636 -12.636 1.00 0.57 C ATOM 506 O LEU A 53 1.763 -2.713 -12.662 1.00 0.59 O ATOM 507 CB LEU A 53 2.552 -5.543 -12.555 1.00 0.78 C ATOM 508 CG LEU A 53 2.369 -5.932 -11.087 1.00 1.25 C ATOM 509 CD1 LEU A 53 1.834 -7.351 -10.974 1.00 1.90 C ATOM 510 CD2 LEU A 53 3.680 -5.789 -10.329 1.00 1.86 C ATOM 0 H LEU A 53 2.511 -4.873 -14.952 1.00 0.65 H new ATOM 0 HA LEU A 53 0.466 -5.675 -13.086 1.00 0.67 H new ATOM 0 HB2 LEU A 53 2.895 -6.419 -13.107 1.00 0.78 H new ATOM 0 HB3 LEU A 53 3.343 -4.795 -12.621 1.00 0.78 H new ATOM 0 HG LEU A 53 1.641 -5.256 -10.639 1.00 1.25 H new ATOM 0 HD11 LEU A 53 1.710 -7.610 -9.923 1.00 1.90 H new ATOM 0 HD12 LEU A 53 0.871 -7.418 -11.480 1.00 1.90 H new ATOM 0 HD13 LEU A 53 2.537 -8.043 -11.438 1.00 1.90 H new ATOM 0 HD21 LEU A 53 3.530 -6.070 -9.287 1.00 1.86 H new ATOM 0 HD22 LEU A 53 4.432 -6.440 -10.776 1.00 1.86 H new ATOM 0 HD23 LEU A 53 4.019 -4.754 -10.381 1.00 1.86 H new ATOM 522 N ASP A 54 -0.257 -3.513 -12.080 1.00 0.67 N ATOM 523 CA ASP A 54 -0.673 -2.268 -11.471 1.00 0.61 C ATOM 524 C ASP A 54 -1.219 -2.484 -10.064 1.00 0.71 C ATOM 525 O ASP A 54 -2.356 -2.915 -9.875 1.00 1.24 O ATOM 526 CB ASP A 54 -1.733 -1.607 -12.332 1.00 0.67 C ATOM 527 CG ASP A 54 -1.145 -0.870 -13.517 1.00 1.06 C ATOM 528 OD1 ASP A 54 0.093 -0.714 -13.563 1.00 1.76 O ATOM 529 OD2 ASP A 54 -1.921 -0.449 -14.401 1.00 1.78 O ATOM 0 H ASP A 54 -0.952 -4.259 -12.043 1.00 0.67 H new ATOM 0 HA ASP A 54 0.203 -1.623 -11.396 1.00 0.61 H new ATOM 0 HB2 ASP A 54 -2.430 -2.365 -12.690 1.00 0.67 H new ATOM 0 HB3 ASP A 54 -2.307 -0.909 -11.723 1.00 0.67 H new ATOM 534 N ILE A 55 -0.395 -2.152 -9.092 1.00 0.31 N ATOM 535 CA ILE A 55 -0.740 -2.267 -7.680 1.00 0.33 C ATOM 536 C ILE A 55 -1.255 -0.942 -7.138 1.00 0.27 C ATOM 537 O ILE A 55 -0.495 0.014 -6.996 1.00 0.44 O ATOM 538 CB ILE A 55 0.477 -2.720 -6.847 1.00 0.44 C ATOM 539 CG1 ILE A 55 1.080 -4.000 -7.436 1.00 0.64 C ATOM 540 CG2 ILE A 55 0.078 -2.936 -5.394 1.00 0.52 C ATOM 541 CD1 ILE A 55 2.441 -3.798 -8.063 1.00 0.75 C ATOM 0 H ILE A 55 0.544 -1.790 -9.256 1.00 0.31 H new ATOM 0 HA ILE A 55 -1.526 -3.018 -7.597 1.00 0.33 H new ATOM 0 HB ILE A 55 1.232 -1.935 -6.882 1.00 0.44 H new ATOM 0 HG12 ILE A 55 1.160 -4.749 -6.648 1.00 0.64 H new ATOM 0 HG13 ILE A 55 0.399 -4.399 -8.188 1.00 0.64 H new ATOM 0 HG21 ILE A 55 0.949 -3.255 -4.821 1.00 0.52 H new ATOM 0 HG22 ILE A 55 -0.307 -2.004 -4.980 1.00 0.52 H new ATOM 0 HG23 ILE A 55 -0.694 -3.704 -5.339 1.00 0.52 H new ATOM 0 HD11 ILE A 55 2.804 -4.747 -8.458 1.00 0.75 H new ATOM 0 HD12 ILE A 55 2.364 -3.073 -8.873 1.00 0.75 H new ATOM 0 HD13 ILE A 55 3.137 -3.428 -7.310 1.00 0.75 H new ATOM 553 N GLU A 56 -2.549 -0.886 -6.839 1.00 0.33 N ATOM 554 CA GLU A 56 -3.150 0.337 -6.321 1.00 0.28 C ATOM 555 C GLU A 56 -3.424 0.241 -4.824 1.00 0.27 C ATOM 556 O GLU A 56 -4.250 -0.563 -4.394 1.00 0.40 O ATOM 557 CB GLU A 56 -4.472 0.621 -7.037 1.00 0.35 C ATOM 558 CG GLU A 56 -4.472 0.309 -8.526 1.00 1.09 C ATOM 559 CD GLU A 56 -5.849 0.436 -9.148 1.00 1.12 C ATOM 560 OE1 GLU A 56 -6.832 0.581 -8.391 1.00 1.46 O ATOM 561 OE2 GLU A 56 -5.944 0.393 -10.392 1.00 1.67 O ATOM 0 H GLU A 56 -3.197 -1.667 -6.945 1.00 0.33 H new ATOM 0 HA GLU A 56 -2.439 1.144 -6.499 1.00 0.28 H new ATOM 0 HB2 GLU A 56 -5.260 0.040 -6.558 1.00 0.35 H new ATOM 0 HB3 GLU A 56 -4.724 1.673 -6.901 1.00 0.35 H new ATOM 0 HG2 GLU A 56 -3.784 0.984 -9.035 1.00 1.09 H new ATOM 0 HG3 GLU A 56 -4.099 -0.703 -8.681 1.00 1.09 H new ATOM 568 N TRP A 57 -2.766 1.084 -4.032 1.00 0.19 N ATOM 569 CA TRP A 57 -3.004 1.090 -2.597 1.00 0.19 C ATOM 570 C TRP A 57 -4.104 2.090 -2.256 1.00 0.19 C ATOM 571 O TRP A 57 -3.946 3.293 -2.465 1.00 0.22 O ATOM 572 CB TRP A 57 -1.730 1.429 -1.828 1.00 0.20 C ATOM 573 CG TRP A 57 -0.754 0.285 -1.742 1.00 0.18 C ATOM 574 CD1 TRP A 57 0.207 -0.066 -2.657 1.00 0.18 C ATOM 575 CD2 TRP A 57 -0.639 -0.658 -0.669 1.00 0.18 C ATOM 576 NE1 TRP A 57 0.901 -1.163 -2.215 1.00 0.17 N ATOM 577 CE2 TRP A 57 0.404 -1.544 -1.002 1.00 0.17 C ATOM 578 CE3 TRP A 57 -1.316 -0.842 0.543 1.00 0.20 C ATOM 579 CZ2 TRP A 57 0.788 -2.591 -0.172 1.00 0.18 C ATOM 580 CZ3 TRP A 57 -0.932 -1.887 1.366 1.00 0.21 C ATOM 581 CH2 TRP A 57 0.113 -2.748 1.004 1.00 0.20 C ATOM 0 H TRP A 57 -2.075 1.761 -4.356 1.00 0.19 H new ATOM 0 HA TRP A 57 -3.321 0.090 -2.301 1.00 0.19 H new ATOM 0 HB2 TRP A 57 -1.241 2.277 -2.307 1.00 0.20 H new ATOM 0 HB3 TRP A 57 -1.998 1.744 -0.819 1.00 0.20 H new ATOM 0 HD1 TRP A 57 0.390 0.447 -3.590 1.00 0.18 H new ATOM 0 HE1 TRP A 57 1.665 -1.620 -2.712 1.00 0.17 H new ATOM 0 HE3 TRP A 57 -2.121 -0.182 0.830 1.00 0.20 H new ATOM 0 HZ2 TRP A 57 1.592 -3.257 -0.448 1.00 0.18 H new ATOM 0 HZ3 TRP A 57 -1.446 -2.041 2.303 1.00 0.21 H new ATOM 0 HH2 TRP A 57 0.390 -3.552 1.669 1.00 0.20 H new ATOM 592 N LEU A 58 -5.212 1.592 -1.726 1.00 0.21 N ATOM 593 CA LEU A 58 -6.328 2.449 -1.352 1.00 0.22 C ATOM 594 C LEU A 58 -6.382 2.587 0.164 1.00 0.23 C ATOM 595 O LEU A 58 -6.164 1.613 0.886 1.00 0.34 O ATOM 596 CB LEU A 58 -7.642 1.868 -1.877 1.00 0.25 C ATOM 597 CG LEU A 58 -7.665 1.575 -3.378 1.00 0.33 C ATOM 598 CD1 LEU A 58 -9.012 1.003 -3.791 1.00 0.39 C ATOM 599 CD2 LEU A 58 -7.350 2.833 -4.174 1.00 0.41 C ATOM 0 H LEU A 58 -5.362 0.599 -1.545 1.00 0.21 H new ATOM 0 HA LEU A 58 -6.184 3.434 -1.796 1.00 0.22 H new ATOM 0 HB2 LEU A 58 -7.854 0.944 -1.338 1.00 0.25 H new ATOM 0 HB3 LEU A 58 -8.448 2.564 -1.646 1.00 0.25 H new ATOM 0 HG LEU A 58 -6.897 0.832 -3.594 1.00 0.33 H new ATOM 0 HD11 LEU A 58 -9.009 0.801 -4.862 1.00 0.39 H new ATOM 0 HD12 LEU A 58 -9.196 0.076 -3.248 1.00 0.39 H new ATOM 0 HD13 LEU A 58 -9.799 1.721 -3.560 1.00 0.39 H new ATOM 0 HD21 LEU A 58 -7.371 2.604 -5.240 1.00 0.41 H new ATOM 0 HD22 LEU A 58 -8.093 3.599 -3.953 1.00 0.41 H new ATOM 0 HD23 LEU A 58 -6.360 3.198 -3.901 1.00 0.41 H new ATOM 611 N ILE A 59 -6.650 3.792 0.651 1.00 0.32 N ATOM 612 CA ILE A 59 -6.700 4.021 2.090 1.00 0.39 C ATOM 613 C ILE A 59 -7.964 4.748 2.523 1.00 0.36 C ATOM 614 O ILE A 59 -8.329 5.776 1.952 1.00 0.37 O ATOM 615 CB ILE A 59 -5.485 4.839 2.571 1.00 0.52 C ATOM 616 CG1 ILE A 59 -5.434 4.864 4.100 1.00 0.64 C ATOM 617 CG2 ILE A 59 -5.543 6.256 2.018 1.00 0.57 C ATOM 618 CD1 ILE A 59 -4.299 5.698 4.652 1.00 0.78 C ATOM 0 H ILE A 59 -6.834 4.617 0.080 1.00 0.32 H new ATOM 0 HA ILE A 59 -6.690 3.030 2.544 1.00 0.39 H new ATOM 0 HB ILE A 59 -4.578 4.362 2.200 1.00 0.52 H new ATOM 0 HG12 ILE A 59 -6.379 5.252 4.481 1.00 0.64 H new ATOM 0 HG13 ILE A 59 -5.337 3.843 4.469 1.00 0.64 H new ATOM 0 HG21 ILE A 59 -4.678 6.819 2.368 1.00 0.57 H new ATOM 0 HG22 ILE A 59 -5.537 6.222 0.929 1.00 0.57 H new ATOM 0 HG23 ILE A 59 -6.456 6.743 2.361 1.00 0.57 H new ATOM 0 HD11 ILE A 59 -4.324 5.671 5.741 1.00 0.78 H new ATOM 0 HD12 ILE A 59 -3.348 5.297 4.300 1.00 0.78 H new ATOM 0 HD13 ILE A 59 -4.406 6.728 4.312 1.00 0.78 H new ATOM 630 N SER A 60 -8.603 4.233 3.568 1.00 0.36 N ATOM 631 CA SER A 60 -9.794 4.865 4.109 1.00 0.34 C ATOM 632 C SER A 60 -9.570 5.203 5.579 1.00 0.34 C ATOM 633 O SER A 60 -9.629 4.328 6.442 1.00 0.35 O ATOM 634 CB SER A 60 -11.011 3.943 3.957 1.00 0.36 C ATOM 635 OG SER A 60 -11.875 4.033 5.079 1.00 1.25 O ATOM 0 H SER A 60 -8.315 3.383 4.053 1.00 0.36 H new ATOM 0 HA SER A 60 -9.990 5.783 3.554 1.00 0.34 H new ATOM 0 HB2 SER A 60 -11.559 4.208 3.053 1.00 0.36 H new ATOM 0 HB3 SER A 60 -10.676 2.913 3.836 1.00 0.36 H new ATOM 0 HG SER A 60 -12.641 3.435 4.951 1.00 1.25 H new ATOM 641 N PRO A 61 -9.298 6.482 5.882 1.00 0.34 N ATOM 642 CA PRO A 61 -9.052 6.931 7.251 1.00 0.34 C ATOM 643 C PRO A 61 -10.330 7.124 8.053 1.00 0.34 C ATOM 644 O PRO A 61 -11.139 8.004 7.757 1.00 0.35 O ATOM 645 CB PRO A 61 -8.354 8.271 7.046 1.00 0.36 C ATOM 646 CG PRO A 61 -8.942 8.791 5.782 1.00 0.53 C ATOM 647 CD PRO A 61 -9.163 7.585 4.911 1.00 0.35 C ATOM 0 HA PRO A 61 -8.476 6.201 7.820 1.00 0.34 H new ATOM 0 HB2 PRO A 61 -8.537 8.948 7.880 1.00 0.36 H new ATOM 0 HB3 PRO A 61 -7.274 8.150 6.964 1.00 0.36 H new ATOM 0 HG2 PRO A 61 -9.879 9.314 5.972 1.00 0.53 H new ATOM 0 HG3 PRO A 61 -8.271 9.503 5.302 1.00 0.53 H new ATOM 0 HD2 PRO A 61 -10.057 7.691 4.297 1.00 0.35 H new ATOM 0 HD3 PRO A 61 -8.327 7.422 4.231 1.00 0.35 H new ATOM 655 N ALA A 62 -10.492 6.307 9.085 1.00 0.34 N ATOM 656 CA ALA A 62 -11.657 6.393 9.954 1.00 0.36 C ATOM 657 C ALA A 62 -11.730 7.767 10.609 1.00 0.37 C ATOM 658 O ALA A 62 -12.810 8.259 10.937 1.00 0.41 O ATOM 659 CB ALA A 62 -11.613 5.298 11.009 1.00 0.39 C ATOM 0 H ALA A 62 -9.829 5.575 9.341 1.00 0.34 H new ATOM 0 HA ALA A 62 -12.553 6.252 9.350 1.00 0.36 H new ATOM 0 HB1 ALA A 62 -12.491 5.376 11.651 1.00 0.39 H new ATOM 0 HB2 ALA A 62 -11.605 4.323 10.521 1.00 0.39 H new ATOM 0 HB3 ALA A 62 -10.712 5.410 11.612 1.00 0.39 H new ATOM 665 N ASP A 63 -10.563 8.377 10.803 1.00 0.34 N ATOM 666 CA ASP A 63 -10.469 9.688 11.425 1.00 0.36 C ATOM 667 C ASP A 63 -10.695 10.814 10.412 1.00 0.41 C ATOM 668 O ASP A 63 -10.458 11.982 10.718 1.00 0.77 O ATOM 669 CB ASP A 63 -9.101 9.844 12.087 1.00 0.38 C ATOM 670 CG ASP A 63 -9.087 10.934 13.143 1.00 1.09 C ATOM 671 OD1 ASP A 63 -9.076 12.125 12.767 1.00 1.80 O ATOM 672 OD2 ASP A 63 -9.085 10.595 14.345 1.00 1.82 O ATOM 0 H ASP A 63 -9.664 7.977 10.534 1.00 0.34 H new ATOM 0 HA ASP A 63 -11.253 9.762 12.178 1.00 0.36 H new ATOM 0 HB2 ASP A 63 -8.812 8.897 12.543 1.00 0.38 H new ATOM 0 HB3 ASP A 63 -8.356 10.072 11.325 1.00 0.38 H new ATOM 677 N ASN A 64 -11.142 10.465 9.204 1.00 0.53 N ATOM 678 CA ASN A 64 -11.378 11.467 8.168 1.00 0.55 C ATOM 679 C ASN A 64 -12.462 11.024 7.184 1.00 0.53 C ATOM 680 O ASN A 64 -12.778 9.839 7.074 1.00 0.49 O ATOM 681 CB ASN A 64 -10.079 11.767 7.416 1.00 0.54 C ATOM 682 CG ASN A 64 -10.189 13.001 6.542 1.00 1.17 C ATOM 683 OD1 ASN A 64 -10.895 13.952 6.877 1.00 1.94 O ATOM 684 ND2 ASN A 64 -9.491 12.990 5.412 1.00 1.80 N ATOM 0 H ASN A 64 -11.345 9.506 8.923 1.00 0.53 H new ATOM 0 HA ASN A 64 -11.728 12.373 8.662 1.00 0.55 H new ATOM 0 HB2 ASN A 64 -9.270 11.904 8.134 1.00 0.54 H new ATOM 0 HB3 ASN A 64 -9.814 10.909 6.798 1.00 0.54 H new ATOM 0 HD21 ASN A 64 -9.527 13.792 4.782 1.00 1.80 H new ATOM 0 HD22 ASN A 64 -8.919 12.180 5.174 1.00 1.80 H new ATOM 691 N GLN A 65 -13.028 12.002 6.480 1.00 0.58 N ATOM 692 CA GLN A 65 -14.090 11.765 5.499 1.00 0.60 C ATOM 693 C GLN A 65 -13.593 10.953 4.305 1.00 0.54 C ATOM 694 O GLN A 65 -14.386 10.386 3.554 1.00 0.55 O ATOM 695 CB GLN A 65 -14.631 13.098 4.997 1.00 0.68 C ATOM 696 CG GLN A 65 -15.431 13.866 6.037 1.00 0.75 C ATOM 697 CD GLN A 65 -15.956 15.187 5.508 1.00 1.18 C ATOM 698 OE1 GLN A 65 -16.398 15.278 4.363 1.00 1.66 O ATOM 699 NE2 GLN A 65 -15.911 16.219 6.343 1.00 1.53 N ATOM 0 H GLN A 65 -12.764 12.983 6.572 1.00 0.58 H new ATOM 0 HA GLN A 65 -14.874 11.195 5.997 1.00 0.60 H new ATOM 0 HB2 GLN A 65 -13.797 13.716 4.665 1.00 0.68 H new ATOM 0 HB3 GLN A 65 -15.262 12.919 4.126 1.00 0.68 H new ATOM 0 HG2 GLN A 65 -16.269 13.254 6.371 1.00 0.75 H new ATOM 0 HG3 GLN A 65 -14.804 14.051 6.909 1.00 0.75 H new ATOM 0 HE21 GLN A 65 -15.536 16.098 7.284 1.00 1.53 H new ATOM 0 HE22 GLN A 65 -16.251 17.133 6.043 1.00 1.53 H new ATOM 708 N LYS A 66 -12.283 10.926 4.124 1.00 0.50 N ATOM 709 CA LYS A 66 -11.673 10.212 3.006 1.00 0.46 C ATOM 710 C LYS A 66 -11.888 8.705 3.123 1.00 0.40 C ATOM 711 O LYS A 66 -11.844 8.146 4.217 1.00 0.40 O ATOM 712 CB LYS A 66 -10.172 10.513 2.968 1.00 0.48 C ATOM 713 CG LYS A 66 -9.429 9.790 1.860 1.00 0.76 C ATOM 714 CD LYS A 66 -7.924 9.959 1.997 1.00 0.76 C ATOM 715 CE LYS A 66 -7.425 11.171 1.227 1.00 1.09 C ATOM 716 NZ LYS A 66 -5.993 11.462 1.515 1.00 1.74 N ATOM 0 H LYS A 66 -11.615 11.392 4.739 1.00 0.50 H new ATOM 0 HA LYS A 66 -12.148 10.551 2.085 1.00 0.46 H new ATOM 0 HB2 LYS A 66 -10.029 11.587 2.847 1.00 0.48 H new ATOM 0 HB3 LYS A 66 -9.732 10.239 3.927 1.00 0.48 H new ATOM 0 HG2 LYS A 66 -9.681 8.730 1.883 1.00 0.76 H new ATOM 0 HG3 LYS A 66 -9.753 10.174 0.893 1.00 0.76 H new ATOM 0 HD2 LYS A 66 -7.663 10.064 3.050 1.00 0.76 H new ATOM 0 HD3 LYS A 66 -7.422 9.063 1.632 1.00 0.76 H new ATOM 0 HE2 LYS A 66 -7.553 11.000 0.158 1.00 1.09 H new ATOM 0 HE3 LYS A 66 -8.031 12.040 1.485 1.00 1.09 H new ATOM 0 HZ1 LYS A 66 -5.537 11.839 0.660 1.00 1.74 H new ATOM 0 HZ2 LYS A 66 -5.928 12.164 2.280 1.00 1.74 H new ATOM 0 HZ3 LYS A 66 -5.513 10.587 1.806 1.00 1.74 H new ATOM 730 N VAL A 67 -12.122 8.053 1.981 1.00 0.41 N ATOM 731 CA VAL A 67 -12.327 6.652 1.926 1.00 0.38 C ATOM 732 C VAL A 67 -11.979 6.127 0.549 1.00 0.52 C ATOM 733 O VAL A 67 -12.479 6.595 -0.473 1.00 0.97 O ATOM 734 CB VAL A 67 -13.760 6.256 2.214 1.00 0.51 C ATOM 735 CG1 VAL A 67 -14.043 6.269 3.706 1.00 0.79 C ATOM 736 CG2 VAL A 67 -14.732 7.141 1.449 1.00 0.57 C ATOM 0 H VAL A 67 -12.170 8.513 1.072 1.00 0.41 H new ATOM 0 HA VAL A 67 -11.682 6.223 2.693 1.00 0.38 H new ATOM 0 HB VAL A 67 -13.905 5.233 1.867 1.00 0.51 H new ATOM 0 HG11 VAL A 67 -15.079 5.981 3.882 1.00 0.79 H new ATOM 0 HG12 VAL A 67 -13.380 5.565 4.208 1.00 0.79 H new ATOM 0 HG13 VAL A 67 -13.873 7.271 4.100 1.00 0.79 H new ATOM 0 HG21 VAL A 67 -15.754 6.837 1.673 1.00 0.57 H new ATOM 0 HG22 VAL A 67 -14.589 8.180 1.746 1.00 0.57 H new ATOM 0 HG23 VAL A 67 -14.550 7.042 0.379 1.00 0.57 H new ATOM 746 N ASP A 68 -11.154 5.133 0.563 1.00 0.33 N ATOM 747 CA ASP A 68 -10.716 4.445 -0.647 1.00 0.42 C ATOM 748 C ASP A 68 -10.011 5.372 -1.636 1.00 0.42 C ATOM 749 O ASP A 68 -10.192 5.245 -2.847 1.00 0.74 O ATOM 750 CB ASP A 68 -11.919 3.788 -1.324 1.00 0.63 C ATOM 751 CG ASP A 68 -12.454 2.609 -0.534 1.00 1.05 C ATOM 752 OD1 ASP A 68 -11.703 2.067 0.304 1.00 1.77 O ATOM 753 OD2 ASP A 68 -13.622 2.228 -0.755 1.00 1.71 O ATOM 0 H ASP A 68 -10.748 4.756 1.419 1.00 0.33 H new ATOM 0 HA ASP A 68 -9.989 3.692 -0.344 1.00 0.42 H new ATOM 0 HB2 ASP A 68 -12.710 4.527 -1.449 1.00 0.63 H new ATOM 0 HB3 ASP A 68 -11.634 3.454 -2.322 1.00 0.63 H new ATOM 758 N GLN A 69 -9.189 6.283 -1.129 1.00 0.34 N ATOM 759 CA GLN A 69 -8.448 7.193 -1.997 1.00 0.34 C ATOM 760 C GLN A 69 -7.067 6.634 -2.314 1.00 0.31 C ATOM 761 O GLN A 69 -6.374 6.128 -1.432 1.00 0.33 O ATOM 762 CB GLN A 69 -8.314 8.578 -1.363 1.00 0.38 C ATOM 763 CG GLN A 69 -9.602 9.385 -1.371 1.00 0.44 C ATOM 764 CD GLN A 69 -10.128 9.632 -2.772 1.00 1.19 C ATOM 765 OE1 GLN A 69 -9.392 10.073 -3.655 1.00 1.96 O ATOM 766 NE2 GLN A 69 -11.411 9.361 -2.980 1.00 1.88 N ATOM 0 H GLN A 69 -9.019 6.412 -0.132 1.00 0.34 H new ATOM 0 HA GLN A 69 -9.012 7.291 -2.925 1.00 0.34 H new ATOM 0 HB2 GLN A 69 -7.974 8.464 -0.334 1.00 0.38 H new ATOM 0 HB3 GLN A 69 -7.543 9.137 -1.893 1.00 0.38 H new ATOM 0 HG2 GLN A 69 -10.360 8.859 -0.790 1.00 0.44 H new ATOM 0 HG3 GLN A 69 -9.430 10.342 -0.878 1.00 0.44 H new ATOM 0 HE21 GLN A 69 -11.985 8.997 -2.220 1.00 1.88 H new ATOM 0 HE22 GLN A 69 -11.823 9.517 -3.900 1.00 1.88 H new ATOM 775 N VAL A 70 -6.667 6.735 -3.577 1.00 0.30 N ATOM 776 CA VAL A 70 -5.364 6.246 -4.003 1.00 0.29 C ATOM 777 C VAL A 70 -4.252 7.111 -3.426 1.00 0.28 C ATOM 778 O VAL A 70 -4.297 8.338 -3.516 1.00 0.38 O ATOM 779 CB VAL A 70 -5.239 6.222 -5.528 1.00 0.33 C ATOM 780 CG1 VAL A 70 -3.857 5.744 -5.955 1.00 0.77 C ATOM 781 CG2 VAL A 70 -6.331 5.363 -6.149 1.00 0.74 C ATOM 0 H VAL A 70 -7.227 7.151 -4.322 1.00 0.30 H new ATOM 0 HA VAL A 70 -5.269 5.226 -3.630 1.00 0.29 H new ATOM 0 HB VAL A 70 -5.367 7.241 -5.892 1.00 0.33 H new ATOM 0 HG11 VAL A 70 -3.795 5.736 -7.043 1.00 0.77 H new ATOM 0 HG12 VAL A 70 -3.099 6.416 -5.553 1.00 0.77 H new ATOM 0 HG13 VAL A 70 -3.687 4.737 -5.575 1.00 0.77 H new ATOM 0 HG21 VAL A 70 -6.221 5.362 -7.233 1.00 0.74 H new ATOM 0 HG22 VAL A 70 -6.248 4.343 -5.775 1.00 0.74 H new ATOM 0 HG23 VAL A 70 -7.308 5.768 -5.884 1.00 0.74 H new ATOM 791 N ILE A 71 -3.264 6.468 -2.821 1.00 0.32 N ATOM 792 CA ILE A 71 -2.148 7.185 -2.213 1.00 0.38 C ATOM 793 C ILE A 71 -0.810 6.671 -2.717 1.00 0.33 C ATOM 794 O ILE A 71 0.117 7.446 -2.939 1.00 0.35 O ATOM 795 CB ILE A 71 -2.186 7.074 -0.679 1.00 0.50 C ATOM 796 CG1 ILE A 71 -1.744 5.681 -0.232 1.00 0.56 C ATOM 797 CG2 ILE A 71 -3.584 7.375 -0.170 1.00 1.15 C ATOM 798 CD1 ILE A 71 -0.241 5.524 -0.117 1.00 0.26 C ATOM 0 H ILE A 71 -3.210 5.453 -2.737 1.00 0.32 H new ATOM 0 HA ILE A 71 -2.254 8.231 -2.501 1.00 0.38 H new ATOM 0 HB ILE A 71 -1.495 7.804 -0.258 1.00 0.50 H new ATOM 0 HG12 ILE A 71 -2.198 5.458 0.734 1.00 0.56 H new ATOM 0 HG13 ILE A 71 -2.124 4.945 -0.940 1.00 0.56 H new ATOM 0 HG21 ILE A 71 -3.601 7.294 0.917 1.00 1.15 H new ATOM 0 HG22 ILE A 71 -3.868 8.386 -0.463 1.00 1.15 H new ATOM 0 HG23 ILE A 71 -4.288 6.662 -0.598 1.00 1.15 H new ATOM 0 HD11 ILE A 71 -0.005 4.510 0.205 1.00 0.26 H new ATOM 0 HD12 ILE A 71 0.220 5.714 -1.086 1.00 0.26 H new ATOM 0 HD13 ILE A 71 0.144 6.235 0.614 1.00 0.26 H new ATOM 810 N ILE A 72 -0.713 5.367 -2.905 1.00 0.29 N ATOM 811 CA ILE A 72 0.511 4.765 -3.399 1.00 0.24 C ATOM 812 C ILE A 72 0.159 3.660 -4.389 1.00 0.22 C ATOM 813 O ILE A 72 -0.562 2.718 -4.070 1.00 0.27 O ATOM 814 CB ILE A 72 1.384 4.195 -2.238 1.00 0.23 C ATOM 815 CG1 ILE A 72 2.789 3.901 -2.739 1.00 0.21 C ATOM 816 CG2 ILE A 72 0.763 2.934 -1.662 1.00 0.25 C ATOM 817 CD1 ILE A 72 2.924 2.627 -3.535 1.00 0.29 C ATOM 0 H ILE A 72 -1.467 4.705 -2.723 1.00 0.29 H new ATOM 0 HA ILE A 72 1.099 5.536 -3.896 1.00 0.24 H new ATOM 0 HB ILE A 72 1.434 4.944 -1.448 1.00 0.23 H new ATOM 0 HG12 ILE A 72 3.121 4.735 -3.357 1.00 0.21 H new ATOM 0 HG13 ILE A 72 3.462 3.851 -1.883 1.00 0.21 H new ATOM 0 HG21 ILE A 72 1.390 2.556 -0.855 1.00 0.25 H new ATOM 0 HG22 ILE A 72 -0.230 3.162 -1.274 1.00 0.25 H new ATOM 0 HG23 ILE A 72 0.683 2.178 -2.443 1.00 0.25 H new ATOM 0 HD11 ILE A 72 3.960 2.502 -3.849 1.00 0.29 H new ATOM 0 HD12 ILE A 72 2.628 1.779 -2.918 1.00 0.29 H new ATOM 0 HD13 ILE A 72 2.282 2.678 -4.414 1.00 0.29 H new ATOM 829 N LEU A 73 0.644 3.807 -5.606 1.00 0.25 N ATOM 830 CA LEU A 73 0.364 2.851 -6.664 1.00 0.26 C ATOM 831 C LEU A 73 1.614 2.636 -7.498 1.00 0.27 C ATOM 832 O LEU A 73 2.506 3.455 -7.479 1.00 0.30 O ATOM 833 CB LEU A 73 -0.800 3.374 -7.524 1.00 0.33 C ATOM 834 CG LEU A 73 -0.880 2.866 -8.971 1.00 0.71 C ATOM 835 CD1 LEU A 73 -1.579 1.521 -9.033 1.00 1.30 C ATOM 836 CD2 LEU A 73 -1.609 3.879 -9.841 1.00 1.22 C ATOM 0 H LEU A 73 1.239 4.585 -5.890 1.00 0.25 H new ATOM 0 HA LEU A 73 0.073 1.891 -6.238 1.00 0.26 H new ATOM 0 HB2 LEU A 73 -1.733 3.118 -7.023 1.00 0.33 H new ATOM 0 HB3 LEU A 73 -0.740 4.462 -7.550 1.00 0.33 H new ATOM 0 HG LEU A 73 0.135 2.740 -9.348 1.00 0.71 H new ATOM 0 HD11 LEU A 73 -1.624 1.182 -10.068 1.00 1.30 H new ATOM 0 HD12 LEU A 73 -1.026 0.796 -8.437 1.00 1.30 H new ATOM 0 HD13 LEU A 73 -2.591 1.618 -8.639 1.00 1.30 H new ATOM 0 HD21 LEU A 73 -1.660 3.509 -10.865 1.00 1.22 H new ATOM 0 HD22 LEU A 73 -2.619 4.028 -9.458 1.00 1.22 H new ATOM 0 HD23 LEU A 73 -1.071 4.827 -9.824 1.00 1.22 H new ATOM 848 N TYR A 74 1.657 1.547 -8.238 1.00 0.25 N ATOM 849 CA TYR A 74 2.793 1.241 -9.102 1.00 0.27 C ATOM 850 C TYR A 74 2.308 0.784 -10.470 1.00 0.29 C ATOM 851 O TYR A 74 1.746 -0.304 -10.616 1.00 0.29 O ATOM 852 CB TYR A 74 3.701 0.172 -8.482 1.00 0.28 C ATOM 853 CG TYR A 74 4.619 -0.509 -9.486 1.00 0.33 C ATOM 854 CD1 TYR A 74 5.842 0.048 -9.864 1.00 1.25 C ATOM 855 CD2 TYR A 74 4.248 -1.716 -10.065 1.00 1.19 C ATOM 856 CE1 TYR A 74 6.658 -0.584 -10.783 1.00 1.30 C ATOM 857 CE2 TYR A 74 5.061 -2.351 -10.984 1.00 1.21 C ATOM 858 CZ TYR A 74 6.264 -1.781 -11.339 1.00 0.50 C ATOM 859 OH TYR A 74 7.076 -2.411 -12.255 1.00 0.60 O ATOM 0 H TYR A 74 0.913 0.849 -8.262 1.00 0.25 H new ATOM 0 HA TYR A 74 3.378 2.154 -9.215 1.00 0.27 H new ATOM 0 HB2 TYR A 74 4.308 0.632 -7.702 1.00 0.28 H new ATOM 0 HB3 TYR A 74 3.081 -0.583 -8.000 1.00 0.28 H new ATOM 0 HD1 TYR A 74 6.155 0.987 -9.432 1.00 1.25 H new ATOM 0 HD2 TYR A 74 3.306 -2.167 -9.791 1.00 1.19 H new ATOM 0 HE1 TYR A 74 7.602 -0.141 -11.064 1.00 1.30 H new ATOM 0 HE2 TYR A 74 4.755 -3.290 -11.422 1.00 1.21 H new ATOM 0 HH TYR A 74 8.013 -2.196 -12.064 1.00 0.60 H new ATOM 869 N SER A 75 2.538 1.631 -11.459 1.00 0.32 N ATOM 870 CA SER A 75 2.135 1.341 -12.840 1.00 0.36 C ATOM 871 C SER A 75 3.170 1.840 -13.845 1.00 0.41 C ATOM 872 O SER A 75 3.985 2.708 -13.534 1.00 0.43 O ATOM 873 CB SER A 75 0.773 1.965 -13.156 1.00 0.39 C ATOM 874 OG SER A 75 0.288 1.526 -14.413 1.00 0.89 O ATOM 0 H SER A 75 3.003 2.531 -11.338 1.00 0.32 H new ATOM 0 HA SER A 75 2.062 0.257 -12.929 1.00 0.36 H new ATOM 0 HB2 SER A 75 0.059 1.701 -12.376 1.00 0.39 H new ATOM 0 HB3 SER A 75 0.859 3.052 -13.156 1.00 0.39 H new ATOM 0 HG SER A 75 0.518 0.582 -14.541 1.00 0.89 H new ATOM 880 N GLY A 76 3.129 1.289 -15.058 1.00 0.44 N ATOM 881 CA GLY A 76 4.060 1.701 -16.094 1.00 0.50 C ATOM 882 C GLY A 76 5.494 1.654 -15.622 1.00 0.52 C ATOM 883 O GLY A 76 6.299 2.523 -15.960 1.00 0.57 O ATOM 0 H GLY A 76 2.468 0.565 -15.340 1.00 0.44 H new ATOM 0 HA2 GLY A 76 3.944 1.054 -16.963 1.00 0.50 H new ATOM 0 HA3 GLY A 76 3.818 2.714 -16.416 1.00 0.50 H new ATOM 887 N ASP A 77 5.809 0.645 -14.825 1.00 0.55 N ATOM 888 CA ASP A 77 7.148 0.492 -14.284 1.00 0.63 C ATOM 889 C ASP A 77 7.523 1.709 -13.444 1.00 0.62 C ATOM 890 O ASP A 77 8.696 2.064 -13.328 1.00 0.66 O ATOM 891 CB ASP A 77 8.154 0.301 -15.418 1.00 0.72 C ATOM 892 CG ASP A 77 9.452 -0.324 -14.945 1.00 0.85 C ATOM 893 OD1 ASP A 77 9.666 -0.392 -13.716 1.00 1.40 O ATOM 894 OD2 ASP A 77 10.255 -0.746 -15.803 1.00 1.46 O ATOM 0 H ASP A 77 5.153 -0.081 -14.539 1.00 0.55 H new ATOM 0 HA ASP A 77 7.168 -0.390 -13.644 1.00 0.63 H new ATOM 0 HB2 ASP A 77 7.711 -0.329 -16.189 1.00 0.72 H new ATOM 0 HB3 ASP A 77 8.366 1.266 -15.878 1.00 0.72 H new ATOM 899 N LYS A 78 6.511 2.327 -12.839 1.00 0.64 N ATOM 900 CA LYS A 78 6.715 3.487 -11.981 1.00 0.66 C ATOM 901 C LYS A 78 6.021 3.288 -10.656 1.00 0.58 C ATOM 902 O LYS A 78 4.792 3.321 -10.585 1.00 0.46 O ATOM 903 CB LYS A 78 6.173 4.774 -12.618 1.00 0.66 C ATOM 904 CG LYS A 78 7.152 5.443 -13.568 1.00 0.86 C ATOM 905 CD LYS A 78 6.645 6.800 -14.031 1.00 1.35 C ATOM 906 CE LYS A 78 5.589 6.662 -15.115 1.00 1.65 C ATOM 907 NZ LYS A 78 5.090 7.987 -15.575 1.00 2.41 N ATOM 0 H LYS A 78 5.536 2.040 -12.929 1.00 0.64 H new ATOM 0 HA LYS A 78 7.791 3.588 -11.839 1.00 0.66 H new ATOM 0 HB2 LYS A 78 5.255 4.543 -13.159 1.00 0.66 H new ATOM 0 HB3 LYS A 78 5.909 5.477 -11.828 1.00 0.66 H new ATOM 0 HG2 LYS A 78 8.115 5.564 -13.073 1.00 0.86 H new ATOM 0 HG3 LYS A 78 7.317 4.801 -14.433 1.00 0.86 H new ATOM 0 HD2 LYS A 78 6.228 7.342 -13.182 1.00 1.35 H new ATOM 0 HD3 LYS A 78 7.479 7.392 -14.408 1.00 1.35 H new ATOM 0 HE2 LYS A 78 6.007 6.117 -15.962 1.00 1.65 H new ATOM 0 HE3 LYS A 78 4.755 6.071 -14.736 1.00 1.65 H new ATOM 0 HZ1 LYS A 78 4.371 7.850 -16.314 1.00 2.41 H new ATOM 0 HZ2 LYS A 78 4.668 8.497 -14.773 1.00 2.41 H new ATOM 0 HZ3 LYS A 78 5.881 8.541 -15.960 1.00 2.41 H new ATOM 921 N ILE A 79 6.792 3.123 -9.598 1.00 0.67 N ATOM 922 CA ILE A 79 6.196 2.975 -8.298 1.00 0.62 C ATOM 923 C ILE A 79 5.836 4.356 -7.801 1.00 0.57 C ATOM 924 O ILE A 79 6.691 5.225 -7.636 1.00 0.74 O ATOM 925 CB ILE A 79 7.115 2.301 -7.264 1.00 0.78 C ATOM 926 CG1 ILE A 79 8.517 2.859 -7.358 1.00 0.74 C ATOM 927 CG2 ILE A 79 7.134 0.787 -7.396 1.00 1.44 C ATOM 928 CD1 ILE A 79 8.810 3.827 -6.241 1.00 1.66 C ATOM 0 H ILE A 79 7.811 3.089 -9.617 1.00 0.67 H new ATOM 0 HA ILE A 79 5.328 2.325 -8.406 1.00 0.62 H new ATOM 0 HB ILE A 79 6.704 2.528 -6.280 1.00 0.78 H new ATOM 0 HG12 ILE A 79 9.237 2.041 -7.328 1.00 0.74 H new ATOM 0 HG13 ILE A 79 8.645 3.361 -8.317 1.00 0.74 H new ATOM 0 HG21 ILE A 79 7.798 0.364 -6.642 1.00 1.44 H new ATOM 0 HG22 ILE A 79 6.127 0.397 -7.252 1.00 1.44 H new ATOM 0 HG23 ILE A 79 7.491 0.513 -8.389 1.00 1.44 H new ATOM 0 HD11 ILE A 79 9.827 4.205 -6.345 1.00 1.66 H new ATOM 0 HD12 ILE A 79 8.107 4.659 -6.287 1.00 1.66 H new ATOM 0 HD13 ILE A 79 8.708 3.318 -5.282 1.00 1.66 H new ATOM 940 N TYR A 80 4.563 4.549 -7.605 1.00 0.40 N ATOM 941 CA TYR A 80 4.028 5.809 -7.167 1.00 0.40 C ATOM 942 C TYR A 80 3.744 5.781 -5.666 1.00 0.35 C ATOM 943 O TYR A 80 3.139 4.843 -5.164 1.00 0.34 O ATOM 944 CB TYR A 80 2.748 6.107 -7.943 1.00 0.38 C ATOM 945 CG TYR A 80 2.744 5.647 -9.399 1.00 0.39 C ATOM 946 CD1 TYR A 80 3.562 6.242 -10.366 1.00 1.24 C ATOM 947 CD2 TYR A 80 1.859 4.656 -9.825 1.00 1.24 C ATOM 948 CE1 TYR A 80 3.485 5.869 -11.693 1.00 1.25 C ATOM 949 CE2 TYR A 80 1.796 4.277 -11.144 1.00 1.24 C ATOM 950 CZ TYR A 80 2.602 4.889 -12.076 1.00 0.42 C ATOM 951 OH TYR A 80 2.518 4.524 -13.399 1.00 0.45 O ATOM 0 H TYR A 80 3.857 3.827 -7.747 1.00 0.40 H new ATOM 0 HA TYR A 80 4.760 6.594 -7.357 1.00 0.40 H new ATOM 0 HB2 TYR A 80 1.912 5.634 -7.428 1.00 0.38 H new ATOM 0 HB3 TYR A 80 2.570 7.182 -7.919 1.00 0.38 H new ATOM 0 HD1 TYR A 80 4.265 7.006 -10.069 1.00 1.24 H new ATOM 0 HD2 TYR A 80 1.212 4.178 -9.105 1.00 1.24 H new ATOM 0 HE1 TYR A 80 4.117 6.346 -12.427 1.00 1.25 H new ATOM 0 HE2 TYR A 80 1.113 3.498 -11.450 1.00 1.24 H new ATOM 0 HH TYR A 80 3.381 4.167 -13.695 1.00 0.45 H new ATOM 961 N ASP A 81 4.196 6.822 -4.978 1.00 0.33 N ATOM 962 CA ASP A 81 4.035 6.981 -3.526 1.00 0.29 C ATOM 963 C ASP A 81 4.366 8.425 -3.187 1.00 0.31 C ATOM 964 O ASP A 81 3.543 9.155 -2.642 1.00 0.33 O ATOM 965 CB ASP A 81 4.999 6.052 -2.769 1.00 0.26 C ATOM 966 CG ASP A 81 6.438 6.176 -3.231 1.00 0.31 C ATOM 967 OD1 ASP A 81 6.660 6.327 -4.451 1.00 1.20 O ATOM 968 OD2 ASP A 81 7.344 6.119 -2.373 1.00 1.09 O ATOM 0 H ASP A 81 4.695 7.597 -5.415 1.00 0.33 H new ATOM 0 HA ASP A 81 3.016 6.727 -3.235 1.00 0.29 H new ATOM 0 HB2 ASP A 81 4.946 6.275 -1.703 1.00 0.26 H new ATOM 0 HB3 ASP A 81 4.672 5.020 -2.895 1.00 0.26 H new ATOM 973 N ASP A 82 5.576 8.827 -3.575 1.00 0.32 N ATOM 974 CA ASP A 82 6.056 10.189 -3.381 1.00 0.36 C ATOM 975 C ASP A 82 5.483 11.083 -4.472 1.00 0.41 C ATOM 976 O ASP A 82 5.286 12.283 -4.281 1.00 0.45 O ATOM 977 CB ASP A 82 7.586 10.227 -3.422 1.00 0.40 C ATOM 978 CG ASP A 82 8.216 9.428 -2.298 1.00 1.34 C ATOM 979 OD1 ASP A 82 7.480 9.013 -1.379 1.00 2.17 O ATOM 980 OD2 ASP A 82 9.447 9.217 -2.338 1.00 2.08 O ATOM 0 H ASP A 82 6.250 8.214 -4.033 1.00 0.32 H new ATOM 0 HA ASP A 82 5.729 10.548 -2.405 1.00 0.36 H new ATOM 0 HB2 ASP A 82 7.931 9.836 -4.379 1.00 0.40 H new ATOM 0 HB3 ASP A 82 7.922 11.262 -3.361 1.00 0.40 H new ATOM 985 N TYR A 83 5.196 10.467 -5.615 1.00 0.43 N ATOM 986 CA TYR A 83 4.617 11.167 -6.749 1.00 0.50 C ATOM 987 C TYR A 83 3.154 11.429 -6.448 1.00 0.50 C ATOM 988 O TYR A 83 2.577 12.432 -6.870 1.00 0.56 O ATOM 989 CB TYR A 83 4.733 10.306 -7.999 1.00 0.53 C ATOM 990 CG TYR A 83 6.125 9.783 -8.228 1.00 1.40 C ATOM 991 CD1 TYR A 83 6.527 8.584 -7.663 1.00 2.33 C ATOM 992 CD2 TYR A 83 7.033 10.483 -9.005 1.00 2.31 C ATOM 993 CE1 TYR A 83 7.801 8.091 -7.866 1.00 3.45 C ATOM 994 CE2 TYR A 83 8.310 9.999 -9.218 1.00 3.41 C ATOM 995 CZ TYR A 83 8.689 8.801 -8.646 1.00 3.83 C ATOM 996 OH TYR A 83 9.959 8.314 -8.855 1.00 5.05 O ATOM 0 H TYR A 83 5.359 9.473 -5.777 1.00 0.43 H new ATOM 0 HA TYR A 83 5.143 12.106 -6.918 1.00 0.50 H new ATOM 0 HB2 TYR A 83 4.044 9.465 -7.919 1.00 0.53 H new ATOM 0 HB3 TYR A 83 4.424 10.890 -8.866 1.00 0.53 H new ATOM 0 HD1 TYR A 83 5.832 8.025 -7.053 1.00 2.33 H new ATOM 0 HD2 TYR A 83 6.739 11.421 -9.451 1.00 2.31 H new ATOM 0 HE1 TYR A 83 8.100 7.155 -7.417 1.00 3.45 H new ATOM 0 HE2 TYR A 83 9.007 10.554 -9.828 1.00 3.41 H new ATOM 0 HH TYR A 83 10.457 8.934 -9.428 1.00 5.05 H new ATOM 1006 N TYR A 84 2.573 10.505 -5.690 1.00 0.44 N ATOM 1007 CA TYR A 84 1.182 10.598 -5.286 1.00 0.45 C ATOM 1008 C TYR A 84 1.046 11.528 -4.093 1.00 0.47 C ATOM 1009 O TYR A 84 1.506 11.202 -3.000 1.00 0.48 O ATOM 1010 CB TYR A 84 0.662 9.217 -4.890 1.00 0.41 C ATOM 1011 CG TYR A 84 -0.311 8.636 -5.874 1.00 0.39 C ATOM 1012 CD1 TYR A 84 -1.561 9.202 -6.043 1.00 1.23 C ATOM 1013 CD2 TYR A 84 0.024 7.529 -6.635 1.00 1.27 C ATOM 1014 CE1 TYR A 84 -2.458 8.687 -6.946 1.00 1.23 C ATOM 1015 CE2 TYR A 84 -0.865 6.999 -7.546 1.00 1.29 C ATOM 1016 CZ TYR A 84 -2.109 7.583 -7.702 1.00 0.40 C ATOM 1017 OH TYR A 84 -3.003 7.061 -8.609 1.00 0.41 O ATOM 0 H TYR A 84 3.054 9.676 -5.342 1.00 0.44 H new ATOM 0 HA TYR A 84 0.604 10.987 -6.124 1.00 0.45 H new ATOM 0 HB2 TYR A 84 1.507 8.537 -4.783 1.00 0.41 H new ATOM 0 HB3 TYR A 84 0.182 9.285 -3.914 1.00 0.41 H new ATOM 0 HD1 TYR A 84 -1.837 10.064 -5.454 1.00 1.23 H new ATOM 0 HD2 TYR A 84 0.996 7.074 -6.513 1.00 1.27 H new ATOM 0 HE1 TYR A 84 -3.430 9.141 -7.065 1.00 1.23 H new ATOM 0 HE2 TYR A 84 -0.592 6.135 -8.133 1.00 1.29 H new ATOM 0 HH TYR A 84 -2.600 6.288 -9.057 1.00 0.41 H new ATOM 1027 N PRO A 85 0.398 12.691 -4.266 1.00 0.54 N ATOM 1028 CA PRO A 85 0.208 13.632 -3.168 1.00 0.58 C ATOM 1029 C PRO A 85 -0.246 12.921 -1.909 1.00 0.53 C ATOM 1030 O PRO A 85 0.245 13.198 -0.813 1.00 0.54 O ATOM 1031 CB PRO A 85 -0.879 14.569 -3.691 1.00 0.67 C ATOM 1032 CG PRO A 85 -0.716 14.544 -5.172 1.00 0.79 C ATOM 1033 CD PRO A 85 -0.212 13.167 -5.522 1.00 0.63 C ATOM 0 HA PRO A 85 1.125 14.153 -2.893 1.00 0.58 H new ATOM 0 HB2 PRO A 85 -1.872 14.229 -3.396 1.00 0.67 H new ATOM 0 HB3 PRO A 85 -0.757 15.577 -3.296 1.00 0.67 H new ATOM 0 HG2 PRO A 85 -1.663 14.749 -5.670 1.00 0.79 H new ATOM 0 HG3 PRO A 85 -0.012 15.310 -5.498 1.00 0.79 H new ATOM 0 HD2 PRO A 85 -1.022 12.514 -5.847 1.00 0.63 H new ATOM 0 HD3 PRO A 85 0.515 13.200 -6.333 1.00 0.63 H new ATOM 1041 N ASP A 86 -1.171 11.984 -2.071 1.00 0.51 N ATOM 1042 CA ASP A 86 -1.663 11.230 -0.941 1.00 0.51 C ATOM 1043 C ASP A 86 -0.575 10.318 -0.372 1.00 0.58 C ATOM 1044 O ASP A 86 -0.265 9.269 -0.934 1.00 1.19 O ATOM 1045 CB ASP A 86 -2.897 10.424 -1.346 1.00 0.50 C ATOM 1046 CG ASP A 86 -4.112 11.304 -1.566 1.00 0.67 C ATOM 1047 OD1 ASP A 86 -4.120 12.444 -1.055 1.00 1.33 O ATOM 1048 OD2 ASP A 86 -5.057 10.854 -2.248 1.00 1.36 O ATOM 0 H ASP A 86 -1.588 11.734 -2.968 1.00 0.51 H new ATOM 0 HA ASP A 86 -1.948 11.930 -0.156 1.00 0.51 H new ATOM 0 HB2 ASP A 86 -2.682 9.870 -2.260 1.00 0.50 H new ATOM 0 HB3 ASP A 86 -3.119 9.689 -0.572 1.00 0.50 H new ATOM 1053 N LEU A 87 -0.018 10.736 0.761 1.00 0.47 N ATOM 1054 CA LEU A 87 1.023 9.981 1.469 1.00 0.40 C ATOM 1055 C LEU A 87 2.397 10.033 0.788 1.00 0.34 C ATOM 1056 O LEU A 87 3.264 9.203 1.062 1.00 0.31 O ATOM 1057 CB LEU A 87 0.589 8.521 1.666 1.00 0.42 C ATOM 1058 CG LEU A 87 -0.769 8.317 2.360 1.00 0.72 C ATOM 1059 CD1 LEU A 87 -0.906 6.884 2.858 1.00 1.24 C ATOM 1060 CD2 LEU A 87 -0.965 9.300 3.512 1.00 1.62 C ATOM 0 H LEU A 87 -0.274 11.611 1.219 1.00 0.47 H new ATOM 0 HA LEU A 87 1.140 10.469 2.437 1.00 0.40 H new ATOM 0 HB2 LEU A 87 0.554 8.037 0.690 1.00 0.42 H new ATOM 0 HB3 LEU A 87 1.355 8.009 2.249 1.00 0.42 H new ATOM 0 HG LEU A 87 -1.547 8.510 1.622 1.00 0.72 H new ATOM 0 HD11 LEU A 87 -1.873 6.759 3.346 1.00 1.24 H new ATOM 0 HD12 LEU A 87 -0.834 6.197 2.015 1.00 1.24 H new ATOM 0 HD13 LEU A 87 -0.110 6.669 3.570 1.00 1.24 H new ATOM 0 HD21 LEU A 87 -1.935 9.126 3.978 1.00 1.62 H new ATOM 0 HD22 LEU A 87 -0.176 9.157 4.251 1.00 1.62 H new ATOM 0 HD23 LEU A 87 -0.924 10.320 3.131 1.00 1.62 H new ATOM 1072 N LYS A 88 2.624 11.015 -0.071 1.00 0.35 N ATOM 1073 CA LYS A 88 3.933 11.142 -0.709 1.00 0.33 C ATOM 1074 C LYS A 88 5.028 11.266 0.339 1.00 0.33 C ATOM 1075 O LYS A 88 4.941 12.095 1.245 1.00 0.57 O ATOM 1076 CB LYS A 88 3.978 12.343 -1.653 1.00 0.44 C ATOM 1077 CG LYS A 88 3.775 13.677 -0.955 1.00 1.19 C ATOM 1078 CD LYS A 88 3.830 14.829 -1.944 1.00 1.20 C ATOM 1079 CE LYS A 88 3.756 16.173 -1.239 1.00 1.92 C ATOM 1080 NZ LYS A 88 4.292 17.275 -2.086 1.00 2.39 N ATOM 0 H LYS A 88 1.940 11.722 -0.340 1.00 0.35 H new ATOM 0 HA LYS A 88 4.102 10.239 -1.296 1.00 0.33 H new ATOM 0 HB2 LYS A 88 4.939 12.354 -2.166 1.00 0.44 H new ATOM 0 HB3 LYS A 88 3.210 12.222 -2.417 1.00 0.44 H new ATOM 0 HG2 LYS A 88 2.813 13.680 -0.443 1.00 1.19 H new ATOM 0 HG3 LYS A 88 4.542 13.812 -0.193 1.00 1.19 H new ATOM 0 HD2 LYS A 88 4.753 14.770 -2.521 1.00 1.20 H new ATOM 0 HD3 LYS A 88 3.005 14.742 -2.651 1.00 1.20 H new ATOM 0 HE2 LYS A 88 2.720 16.388 -0.976 1.00 1.92 H new ATOM 0 HE3 LYS A 88 4.319 16.125 -0.307 1.00 1.92 H new ATOM 0 HZ1 LYS A 88 4.224 18.175 -1.569 1.00 2.39 H new ATOM 0 HZ2 LYS A 88 5.288 17.083 -2.316 1.00 2.39 H new ATOM 0 HZ3 LYS A 88 3.739 17.338 -2.965 1.00 2.39 H new ATOM 1094 N GLY A 89 6.068 10.457 0.199 1.00 0.33 N ATOM 1095 CA GLY A 89 7.169 10.522 1.132 1.00 0.37 C ATOM 1096 C GLY A 89 7.068 9.538 2.282 1.00 0.28 C ATOM 1097 O GLY A 89 7.814 9.658 3.254 1.00 0.29 O ATOM 0 H GLY A 89 6.167 9.761 -0.540 1.00 0.33 H new ATOM 0 HA2 GLY A 89 8.099 10.340 0.593 1.00 0.37 H new ATOM 0 HA3 GLY A 89 7.228 11.532 1.537 1.00 0.37 H new ATOM 1101 N ARG A 90 6.145 8.582 2.210 1.00 0.24 N ATOM 1102 CA ARG A 90 5.998 7.636 3.315 1.00 0.22 C ATOM 1103 C ARG A 90 5.701 6.242 2.890 1.00 0.20 C ATOM 1104 O ARG A 90 6.368 5.309 3.326 1.00 0.21 O ATOM 1105 CB ARG A 90 4.870 8.099 4.228 1.00 0.26 C ATOM 1106 CG ARG A 90 3.554 8.303 3.475 1.00 0.29 C ATOM 1107 CD ARG A 90 2.523 8.992 4.356 1.00 0.39 C ATOM 1108 NE ARG A 90 2.873 10.389 4.608 1.00 0.81 N ATOM 1109 CZ ARG A 90 2.054 11.270 5.177 1.00 1.14 C ATOM 1110 NH1 ARG A 90 0.837 10.904 5.561 1.00 1.59 N ATOM 1111 NH2 ARG A 90 2.454 12.520 5.368 1.00 1.52 N ATOM 0 H ARG A 90 5.507 8.442 1.427 1.00 0.24 H new ATOM 0 HA ARG A 90 6.962 7.620 3.823 1.00 0.22 H new ATOM 0 HB2 ARG A 90 4.722 7.364 5.019 1.00 0.26 H new ATOM 0 HB3 ARG A 90 5.158 9.033 4.711 1.00 0.26 H new ATOM 0 HG2 ARG A 90 3.731 8.901 2.581 1.00 0.29 H new ATOM 0 HG3 ARG A 90 3.168 7.339 3.143 1.00 0.29 H new ATOM 0 HD2 ARG A 90 1.545 8.943 3.878 1.00 0.39 H new ATOM 0 HD3 ARG A 90 2.441 8.461 5.304 1.00 0.39 H new ATOM 0 HE ARG A 90 3.801 10.708 4.331 1.00 0.81 H new ATOM 0 HH11 ARG A 90 0.525 9.943 5.420 1.00 1.59 H new ATOM 0 HH12 ARG A 90 0.214 11.584 5.997 1.00 1.59 H new ATOM 0 HH21 ARG A 90 3.389 12.806 5.079 1.00 1.52 H new ATOM 0 HH22 ARG A 90 1.826 13.195 5.804 1.00 1.52 H new ATOM 1125 N VAL A 91 4.704 6.080 2.084 1.00 0.19 N ATOM 1126 CA VAL A 91 4.354 4.765 1.682 1.00 0.18 C ATOM 1127 C VAL A 91 5.321 4.354 0.598 1.00 0.18 C ATOM 1128 O VAL A 91 5.077 4.480 -0.598 1.00 0.18 O ATOM 1129 CB VAL A 91 2.927 4.744 1.189 1.00 0.19 C ATOM 1130 CG1 VAL A 91 2.794 5.720 0.029 1.00 0.20 C ATOM 1131 CG2 VAL A 91 2.531 3.325 0.836 1.00 0.20 C ATOM 0 H VAL A 91 4.129 6.829 1.699 1.00 0.19 H new ATOM 0 HA VAL A 91 4.417 4.064 2.515 1.00 0.18 H new ATOM 0 HB VAL A 91 2.235 5.071 1.965 1.00 0.19 H new ATOM 0 HG11 VAL A 91 1.767 5.714 -0.336 1.00 0.20 H new ATOM 0 HG12 VAL A 91 3.053 6.724 0.366 1.00 0.20 H new ATOM 0 HG13 VAL A 91 3.467 5.423 -0.776 1.00 0.20 H new ATOM 0 HG21 VAL A 91 1.501 3.313 0.480 1.00 0.20 H new ATOM 0 HG22 VAL A 91 3.189 2.947 0.054 1.00 0.20 H new ATOM 0 HG23 VAL A 91 2.618 2.693 1.720 1.00 0.20 H new ATOM 1141 N HIS A 92 6.459 3.933 1.085 1.00 0.18 N ATOM 1142 CA HIS A 92 7.589 3.560 0.280 1.00 0.20 C ATOM 1143 C HIS A 92 7.691 2.039 0.093 1.00 0.18 C ATOM 1144 O HIS A 92 7.644 1.293 1.066 1.00 0.19 O ATOM 1145 CB HIS A 92 8.790 4.161 1.015 1.00 0.22 C ATOM 1146 CG HIS A 92 9.126 5.531 0.551 1.00 0.24 C ATOM 1147 ND1 HIS A 92 8.502 6.637 1.071 1.00 0.24 N ATOM 1148 CD2 HIS A 92 10.000 5.987 -0.374 1.00 0.28 C ATOM 1149 CE1 HIS A 92 8.967 7.716 0.494 1.00 0.27 C ATOM 1150 NE2 HIS A 92 9.882 7.357 -0.391 1.00 0.29 N ATOM 0 H HIS A 92 6.629 3.838 2.086 1.00 0.18 H new ATOM 0 HA HIS A 92 7.517 3.936 -0.741 1.00 0.20 H new ATOM 0 HB2 HIS A 92 8.579 4.187 2.084 1.00 0.22 H new ATOM 0 HB3 HIS A 92 9.656 3.513 0.876 1.00 0.22 H new ATOM 0 HD2 HIS A 92 10.663 5.390 -0.983 1.00 0.28 H new ATOM 0 HE1 HIS A 92 8.656 8.729 0.705 1.00 0.27 H new ATOM 0 HE2 HIS A 92 10.413 7.992 -0.988 1.00 0.29 H new ATOM 1159 N PHE A 93 7.822 1.572 -1.163 1.00 0.18 N ATOM 1160 CA PHE A 93 7.907 0.128 -1.416 1.00 0.18 C ATOM 1161 C PHE A 93 9.236 -0.429 -0.926 1.00 0.20 C ATOM 1162 O PHE A 93 10.306 0.019 -1.338 1.00 0.21 O ATOM 1163 CB PHE A 93 7.760 -0.236 -2.903 1.00 0.19 C ATOM 1164 CG PHE A 93 6.396 -0.032 -3.538 1.00 0.19 C ATOM 1165 CD1 PHE A 93 5.263 -0.810 -3.207 1.00 1.19 C ATOM 1166 CD2 PHE A 93 6.267 0.927 -4.532 1.00 1.23 C ATOM 1167 CE1 PHE A 93 4.054 -0.592 -3.869 1.00 1.19 C ATOM 1168 CE2 PHE A 93 5.066 1.123 -5.188 1.00 1.23 C ATOM 1169 CZ PHE A 93 3.963 0.367 -4.857 1.00 0.22 C ATOM 0 H PHE A 93 7.870 2.159 -1.996 1.00 0.18 H new ATOM 0 HA PHE A 93 7.074 -0.313 -0.869 1.00 0.18 H new ATOM 0 HB2 PHE A 93 8.486 0.350 -3.467 1.00 0.19 H new ATOM 0 HB3 PHE A 93 8.034 -1.284 -3.023 1.00 0.19 H new ATOM 0 HD1 PHE A 93 5.333 -1.571 -2.444 1.00 1.19 H new ATOM 0 HD2 PHE A 93 7.121 1.532 -4.798 1.00 1.23 H new ATOM 0 HE1 PHE A 93 3.185 -1.177 -3.607 1.00 1.19 H new ATOM 0 HE2 PHE A 93 4.992 1.872 -5.963 1.00 1.23 H new ATOM 0 HZ PHE A 93 3.026 0.525 -5.371 1.00 0.22 H new ATOM 1179 N THR A 94 9.149 -1.419 -0.046 1.00 0.22 N ATOM 1180 CA THR A 94 10.322 -2.073 0.520 1.00 0.26 C ATOM 1181 C THR A 94 10.971 -3.044 -0.473 1.00 0.27 C ATOM 1182 O THR A 94 11.581 -4.031 -0.062 1.00 0.46 O ATOM 1183 CB THR A 94 9.927 -2.829 1.787 1.00 0.32 C ATOM 1184 OG1 THR A 94 9.408 -4.106 1.464 1.00 0.39 O ATOM 1185 CG2 THR A 94 8.888 -2.107 2.620 1.00 0.36 C ATOM 0 H THR A 94 8.263 -1.791 0.295 1.00 0.22 H new ATOM 0 HA THR A 94 11.052 -1.298 0.755 1.00 0.26 H new ATOM 0 HB THR A 94 10.843 -2.909 2.373 1.00 0.32 H new ATOM 0 HG1 THR A 94 10.125 -4.669 1.104 1.00 0.39 H new ATOM 0 HG21 THR A 94 8.654 -2.700 3.504 1.00 0.36 H new ATOM 0 HG22 THR A 94 9.278 -1.136 2.927 1.00 0.36 H new ATOM 0 HG23 THR A 94 7.983 -1.964 2.029 1.00 0.36 H new ATOM 1193 N SER A 95 10.835 -2.780 -1.771 1.00 0.28 N ATOM 1194 CA SER A 95 11.410 -3.662 -2.782 1.00 0.33 C ATOM 1195 C SER A 95 11.852 -2.885 -4.018 1.00 0.36 C ATOM 1196 O SER A 95 11.088 -2.105 -4.585 1.00 0.39 O ATOM 1197 CB SER A 95 10.394 -4.735 -3.188 1.00 0.37 C ATOM 1198 OG SER A 95 10.224 -5.694 -2.158 1.00 1.20 O ATOM 0 H SER A 95 10.337 -1.971 -2.144 1.00 0.28 H new ATOM 0 HA SER A 95 12.289 -4.135 -2.344 1.00 0.33 H new ATOM 0 HB2 SER A 95 9.436 -4.266 -3.414 1.00 0.37 H new ATOM 0 HB3 SER A 95 10.729 -5.231 -4.099 1.00 0.37 H new ATOM 0 HG SER A 95 10.736 -5.420 -1.368 1.00 1.20 H new ATOM 1204 N ASN A 96 13.091 -3.127 -4.436 1.00 0.48 N ATOM 1205 CA ASN A 96 13.653 -2.478 -5.616 1.00 0.60 C ATOM 1206 C ASN A 96 13.386 -3.319 -6.863 1.00 0.63 C ATOM 1207 O ASN A 96 13.863 -3.006 -7.953 1.00 0.84 O ATOM 1208 CB ASN A 96 15.157 -2.263 -5.440 1.00 0.77 C ATOM 1209 CG ASN A 96 15.743 -1.376 -6.520 1.00 1.38 C ATOM 1210 OD1 ASN A 96 15.094 -0.443 -6.993 1.00 2.22 O ATOM 1211 ND2 ASN A 96 16.977 -1.665 -6.919 1.00 1.85 N ATOM 0 H ASN A 96 13.729 -3.773 -3.971 1.00 0.48 H new ATOM 0 HA ASN A 96 13.172 -1.507 -5.738 1.00 0.60 H new ATOM 0 HB2 ASN A 96 15.346 -1.816 -4.464 1.00 0.77 H new ATOM 0 HB3 ASN A 96 15.663 -3.228 -5.452 1.00 0.77 H new ATOM 0 HD21 ASN A 96 17.423 -1.104 -7.645 1.00 1.85 H new ATOM 0 HD22 ASN A 96 17.478 -2.448 -6.499 1.00 1.85 H new ATOM 1218 N ASP A 97 12.615 -4.388 -6.685 1.00 0.53 N ATOM 1219 CA ASP A 97 12.262 -5.291 -7.766 1.00 0.56 C ATOM 1220 C ASP A 97 10.854 -5.812 -7.534 1.00 0.48 C ATOM 1221 O ASP A 97 10.644 -6.994 -7.263 1.00 0.45 O ATOM 1222 CB ASP A 97 13.251 -6.457 -7.840 1.00 0.63 C ATOM 1223 CG ASP A 97 14.624 -6.028 -8.320 1.00 1.38 C ATOM 1224 OD1 ASP A 97 14.708 -5.028 -9.063 1.00 2.14 O ATOM 1225 OD2 ASP A 97 15.615 -6.692 -7.952 1.00 2.07 O ATOM 0 H ASP A 97 12.218 -4.650 -5.782 1.00 0.53 H new ATOM 0 HA ASP A 97 12.304 -4.752 -8.713 1.00 0.56 H new ATOM 0 HB2 ASP A 97 13.341 -6.915 -6.855 1.00 0.63 H new ATOM 0 HB3 ASP A 97 12.858 -7.220 -8.511 1.00 0.63 H new ATOM 1230 N LEU A 98 9.898 -4.900 -7.612 1.00 0.46 N ATOM 1231 CA LEU A 98 8.498 -5.225 -7.383 1.00 0.44 C ATOM 1232 C LEU A 98 7.986 -6.272 -8.361 1.00 0.48 C ATOM 1233 O LEU A 98 7.184 -7.129 -7.993 1.00 0.46 O ATOM 1234 CB LEU A 98 7.633 -3.970 -7.485 1.00 0.51 C ATOM 1235 CG LEU A 98 7.733 -3.011 -6.302 1.00 0.87 C ATOM 1236 CD1 LEU A 98 8.888 -2.040 -6.494 1.00 1.41 C ATOM 1237 CD2 LEU A 98 6.422 -2.262 -6.125 1.00 1.49 C ATOM 0 H LEU A 98 10.068 -3.919 -7.834 1.00 0.46 H new ATOM 0 HA LEU A 98 8.429 -5.639 -6.377 1.00 0.44 H new ATOM 0 HB2 LEU A 98 7.908 -3.432 -8.392 1.00 0.51 H new ATOM 0 HB3 LEU A 98 6.592 -4.274 -7.598 1.00 0.51 H new ATOM 0 HG LEU A 98 7.927 -3.589 -5.399 1.00 0.87 H new ATOM 0 HD11 LEU A 98 8.942 -1.365 -5.640 1.00 1.41 H new ATOM 0 HD12 LEU A 98 9.822 -2.597 -6.576 1.00 1.41 H new ATOM 0 HD13 LEU A 98 8.729 -1.461 -7.404 1.00 1.41 H new ATOM 0 HD21 LEU A 98 6.504 -1.580 -5.278 1.00 1.49 H new ATOM 0 HD22 LEU A 98 6.203 -1.693 -7.029 1.00 1.49 H new ATOM 0 HD23 LEU A 98 5.618 -2.974 -5.941 1.00 1.49 H new ATOM 1249 N LYS A 99 8.436 -6.200 -9.608 1.00 0.55 N ATOM 1250 CA LYS A 99 7.992 -7.154 -10.623 1.00 0.62 C ATOM 1251 C LYS A 99 8.387 -8.588 -10.289 1.00 0.58 C ATOM 1252 O LYS A 99 8.113 -9.514 -11.051 1.00 0.63 O ATOM 1253 CB LYS A 99 8.501 -6.760 -12.010 1.00 0.75 C ATOM 1254 CG LYS A 99 7.834 -5.511 -12.561 1.00 0.84 C ATOM 1255 CD LYS A 99 8.291 -5.209 -13.978 1.00 1.12 C ATOM 1256 CE LYS A 99 9.644 -4.520 -13.994 1.00 1.45 C ATOM 1257 NZ LYS A 99 9.758 -3.552 -15.119 1.00 2.04 N ATOM 0 H LYS A 99 9.100 -5.501 -9.940 1.00 0.55 H new ATOM 0 HA LYS A 99 6.903 -7.117 -10.631 1.00 0.62 H new ATOM 0 HB2 LYS A 99 9.578 -6.598 -11.962 1.00 0.75 H new ATOM 0 HB3 LYS A 99 8.334 -7.587 -12.700 1.00 0.75 H new ATOM 0 HG2 LYS A 99 6.752 -5.640 -12.547 1.00 0.84 H new ATOM 0 HG3 LYS A 99 8.062 -4.662 -11.916 1.00 0.84 H new ATOM 0 HD2 LYS A 99 8.348 -6.136 -14.548 1.00 1.12 H new ATOM 0 HD3 LYS A 99 7.554 -4.576 -14.472 1.00 1.12 H new ATOM 0 HE2 LYS A 99 9.798 -3.999 -13.049 1.00 1.45 H new ATOM 0 HE3 LYS A 99 10.432 -5.268 -14.077 1.00 1.45 H new ATOM 0 HZ1 LYS A 99 10.435 -2.804 -14.866 1.00 2.04 H new ATOM 0 HZ2 LYS A 99 10.091 -4.047 -15.971 1.00 2.04 H new ATOM 0 HZ3 LYS A 99 8.827 -3.127 -15.307 1.00 2.04 H new ATOM 1271 N SER A 100 8.995 -8.761 -9.134 1.00 0.50 N ATOM 1272 CA SER A 100 9.397 -10.078 -8.662 1.00 0.49 C ATOM 1273 C SER A 100 8.271 -10.714 -7.843 1.00 0.42 C ATOM 1274 O SER A 100 8.378 -11.861 -7.409 1.00 0.44 O ATOM 1275 CB SER A 100 10.672 -9.980 -7.821 1.00 0.50 C ATOM 1276 OG SER A 100 11.790 -9.649 -8.626 1.00 1.40 O ATOM 0 H SER A 100 9.225 -8.000 -8.496 1.00 0.50 H new ATOM 0 HA SER A 100 9.601 -10.708 -9.528 1.00 0.49 H new ATOM 0 HB2 SER A 100 10.542 -9.225 -7.045 1.00 0.50 H new ATOM 0 HB3 SER A 100 10.852 -10.929 -7.316 1.00 0.50 H new ATOM 0 HG SER A 100 12.591 -9.591 -8.065 1.00 1.40 H new ATOM 1282 N GLY A 101 7.188 -9.959 -7.642 1.00 0.38 N ATOM 1283 CA GLY A 101 6.054 -10.459 -6.886 1.00 0.35 C ATOM 1284 C GLY A 101 5.793 -9.669 -5.615 1.00 0.31 C ATOM 1285 O GLY A 101 4.689 -9.707 -5.072 1.00 0.31 O ATOM 0 H GLY A 101 7.079 -9.007 -7.992 1.00 0.38 H new ATOM 0 HA2 GLY A 101 5.164 -10.430 -7.515 1.00 0.35 H new ATOM 0 HA3 GLY A 101 6.228 -11.504 -6.629 1.00 0.35 H new ATOM 1289 N ASP A 102 6.806 -8.953 -5.141 1.00 0.32 N ATOM 1290 CA ASP A 102 6.678 -8.152 -3.927 1.00 0.29 C ATOM 1291 C ASP A 102 6.473 -6.679 -4.260 1.00 0.31 C ATOM 1292 O ASP A 102 7.397 -5.997 -4.691 1.00 0.36 O ATOM 1293 CB ASP A 102 7.924 -8.319 -3.058 1.00 0.32 C ATOM 1294 CG ASP A 102 8.288 -9.776 -2.838 1.00 0.71 C ATOM 1295 OD1 ASP A 102 7.571 -10.655 -3.362 1.00 1.42 O ATOM 1296 OD2 ASP A 102 9.291 -10.037 -2.142 1.00 1.44 O ATOM 0 H ASP A 102 7.726 -8.910 -5.579 1.00 0.32 H new ATOM 0 HA ASP A 102 5.804 -8.503 -3.379 1.00 0.29 H new ATOM 0 HB2 ASP A 102 8.763 -7.805 -3.528 1.00 0.32 H new ATOM 0 HB3 ASP A 102 7.757 -7.840 -2.093 1.00 0.32 H new ATOM 1301 N ALA A 103 5.258 -6.195 -4.046 1.00 0.31 N ATOM 1302 CA ALA A 103 4.928 -4.800 -4.318 1.00 0.34 C ATOM 1303 C ALA A 103 4.675 -4.034 -3.019 1.00 0.28 C ATOM 1304 O ALA A 103 3.945 -3.052 -3.001 1.00 0.30 O ATOM 1305 CB ALA A 103 3.713 -4.728 -5.234 1.00 0.43 C ATOM 0 H ALA A 103 4.481 -6.748 -3.684 1.00 0.31 H new ATOM 0 HA ALA A 103 5.775 -4.331 -4.818 1.00 0.34 H new ATOM 0 HB1 ALA A 103 3.470 -3.685 -5.435 1.00 0.43 H new ATOM 0 HB2 ALA A 103 3.934 -5.236 -6.173 1.00 0.43 H new ATOM 0 HB3 ALA A 103 2.864 -5.212 -4.751 1.00 0.43 H new ATOM 1311 N SER A 104 5.240 -4.535 -1.929 1.00 0.25 N ATOM 1312 CA SER A 104 5.061 -3.943 -0.600 1.00 0.21 C ATOM 1313 C SER A 104 5.521 -2.503 -0.448 1.00 0.18 C ATOM 1314 O SER A 104 6.502 -2.082 -1.051 1.00 0.21 O ATOM 1315 CB SER A 104 5.728 -4.816 0.462 1.00 0.22 C ATOM 1316 OG SER A 104 5.698 -6.186 0.096 1.00 1.04 O ATOM 0 H SER A 104 5.836 -5.363 -1.936 1.00 0.25 H new ATOM 0 HA SER A 104 3.981 -3.909 -0.460 1.00 0.21 H new ATOM 0 HB2 SER A 104 6.761 -4.497 0.602 1.00 0.22 H new ATOM 0 HB3 SER A 104 5.221 -4.681 1.417 1.00 0.22 H new ATOM 0 HG SER A 104 6.567 -6.444 -0.278 1.00 1.04 H new ATOM 1322 N ILE A 105 4.793 -1.774 0.418 1.00 0.18 N ATOM 1323 CA ILE A 105 5.078 -0.382 0.736 1.00 0.17 C ATOM 1324 C ILE A 105 4.986 -0.136 2.226 1.00 0.17 C ATOM 1325 O ILE A 105 3.999 -0.495 2.867 1.00 0.22 O ATOM 1326 CB ILE A 105 4.092 0.604 0.078 1.00 0.19 C ATOM 1327 CG1 ILE A 105 2.727 -0.039 -0.166 1.00 0.27 C ATOM 1328 CG2 ILE A 105 4.654 1.191 -1.198 1.00 0.31 C ATOM 1329 CD1 ILE A 105 1.712 0.302 0.904 1.00 0.22 C ATOM 0 H ILE A 105 3.985 -2.148 0.916 1.00 0.18 H new ATOM 0 HA ILE A 105 6.084 -0.209 0.355 1.00 0.17 H new ATOM 0 HB ILE A 105 3.948 1.424 0.781 1.00 0.19 H new ATOM 0 HG12 ILE A 105 2.347 0.284 -1.135 1.00 0.27 H new ATOM 0 HG13 ILE A 105 2.845 -1.121 -0.215 1.00 0.27 H new ATOM 0 HG21 ILE A 105 3.929 1.881 -1.631 1.00 0.31 H new ATOM 0 HG22 ILE A 105 5.577 1.727 -0.976 1.00 0.31 H new ATOM 0 HG23 ILE A 105 4.861 0.389 -1.907 1.00 0.31 H new ATOM 0 HD11 ILE A 105 0.764 -0.184 0.674 1.00 0.22 H new ATOM 0 HD12 ILE A 105 2.073 -0.046 1.872 1.00 0.22 H new ATOM 0 HD13 ILE A 105 1.567 1.382 0.937 1.00 0.22 H new ATOM 1341 N ASN A 106 5.992 0.527 2.765 1.00 0.19 N ATOM 1342 CA ASN A 106 5.986 0.873 4.168 1.00 0.21 C ATOM 1343 C ASN A 106 5.694 2.351 4.301 1.00 0.20 C ATOM 1344 O ASN A 106 6.091 3.133 3.447 1.00 0.21 O ATOM 1345 CB ASN A 106 7.317 0.517 4.837 1.00 0.24 C ATOM 1346 CG ASN A 106 8.494 1.254 4.223 1.00 0.49 C ATOM 1347 OD1 ASN A 106 9.337 0.654 3.557 1.00 1.15 O ATOM 1348 ND2 ASN A 106 8.564 2.563 4.446 1.00 1.06 N ATOM 0 H ASN A 106 6.819 0.834 2.253 1.00 0.19 H new ATOM 0 HA ASN A 106 5.212 0.298 4.676 1.00 0.21 H new ATOM 0 HB2 ASN A 106 7.260 0.753 5.900 1.00 0.24 H new ATOM 0 HB3 ASN A 106 7.484 -0.557 4.757 1.00 0.24 H new ATOM 0 HD21 ASN A 106 9.336 3.106 4.059 1.00 1.06 H new ATOM 0 HD22 ASN A 106 7.845 3.025 5.004 1.00 1.06 H new ATOM 1355 N VAL A 107 4.989 2.733 5.352 1.00 0.22 N ATOM 1356 CA VAL A 107 4.638 4.118 5.554 1.00 0.22 C ATOM 1357 C VAL A 107 5.592 4.789 6.519 1.00 0.23 C ATOM 1358 O VAL A 107 5.733 4.366 7.659 1.00 0.24 O ATOM 1359 CB VAL A 107 3.225 4.259 6.122 1.00 0.24 C ATOM 1360 CG1 VAL A 107 2.392 5.223 5.289 1.00 0.27 C ATOM 1361 CG2 VAL A 107 2.537 2.907 6.251 1.00 0.27 C ATOM 0 H VAL A 107 4.651 2.099 6.076 1.00 0.22 H new ATOM 0 HA VAL A 107 4.695 4.596 4.576 1.00 0.22 H new ATOM 0 HB VAL A 107 3.315 4.676 7.125 1.00 0.24 H new ATOM 0 HG11 VAL A 107 1.393 5.303 5.716 1.00 0.27 H new ATOM 0 HG12 VAL A 107 2.866 6.205 5.287 1.00 0.27 H new ATOM 0 HG13 VAL A 107 2.321 4.852 4.267 1.00 0.27 H new ATOM 0 HG21 VAL A 107 1.535 3.046 6.658 1.00 0.27 H new ATOM 0 HG22 VAL A 107 2.468 2.439 5.269 1.00 0.27 H new ATOM 0 HG23 VAL A 107 3.114 2.267 6.919 1.00 0.27 H new ATOM 1371 N THR A 108 6.224 5.844 6.058 1.00 0.24 N ATOM 1372 CA THR A 108 7.159 6.595 6.893 1.00 0.26 C ATOM 1373 C THR A 108 6.424 7.647 7.724 1.00 0.27 C ATOM 1374 O THR A 108 5.470 8.268 7.256 1.00 0.27 O ATOM 1375 CB THR A 108 8.255 7.285 6.054 1.00 0.28 C ATOM 1376 OG1 THR A 108 7.829 8.563 5.606 1.00 0.29 O ATOM 1377 CG2 THR A 108 8.704 6.502 4.829 1.00 0.27 C ATOM 0 H THR A 108 6.114 6.208 5.112 1.00 0.24 H new ATOM 0 HA THR A 108 7.635 5.874 7.557 1.00 0.26 H new ATOM 0 HB THR A 108 9.102 7.358 6.737 1.00 0.28 H new ATOM 0 HG1 THR A 108 8.210 8.743 4.721 1.00 0.29 H new ATOM 0 HG21 THR A 108 9.475 7.063 4.301 1.00 0.27 H new ATOM 0 HG22 THR A 108 9.106 5.538 5.141 1.00 0.27 H new ATOM 0 HG23 THR A 108 7.853 6.343 4.167 1.00 0.27 H new ATOM 1385 N ASN A 109 6.888 7.850 8.954 1.00 0.30 N ATOM 1386 CA ASN A 109 6.290 8.843 9.856 1.00 0.33 C ATOM 1387 C ASN A 109 4.771 8.688 9.939 1.00 0.29 C ATOM 1388 O ASN A 109 4.020 9.612 9.626 1.00 0.29 O ATOM 1389 CB ASN A 109 6.647 10.257 9.399 1.00 0.36 C ATOM 1390 CG ASN A 109 8.143 10.498 9.381 1.00 0.78 C ATOM 1391 OD1 ASN A 109 8.839 10.219 10.358 1.00 1.52 O ATOM 1392 ND2 ASN A 109 8.645 11.020 8.269 1.00 1.43 N ATOM 0 H ASN A 109 7.677 7.342 9.354 1.00 0.30 H new ATOM 0 HA ASN A 109 6.699 8.672 10.852 1.00 0.33 H new ATOM 0 HB2 ASN A 109 6.242 10.426 8.401 1.00 0.36 H new ATOM 0 HB3 ASN A 109 6.173 10.981 10.062 1.00 0.36 H new ATOM 0 HD21 ASN A 109 9.646 11.206 8.199 1.00 1.43 H new ATOM 0 HD22 ASN A 109 8.030 11.235 7.484 1.00 1.43 H new ATOM 1399 N LEU A 110 4.334 7.504 10.346 1.00 0.30 N ATOM 1400 CA LEU A 110 2.909 7.188 10.460 1.00 0.34 C ATOM 1401 C LEU A 110 2.099 8.271 11.165 1.00 0.41 C ATOM 1402 O LEU A 110 1.895 8.222 12.378 1.00 1.02 O ATOM 1403 CB LEU A 110 2.721 5.886 11.210 1.00 0.42 C ATOM 1404 CG LEU A 110 2.946 4.624 10.385 1.00 0.37 C ATOM 1405 CD1 LEU A 110 3.219 3.437 11.297 1.00 0.43 C ATOM 1406 CD2 LEU A 110 1.739 4.357 9.494 1.00 0.50 C ATOM 0 H LEU A 110 4.952 6.735 10.607 1.00 0.30 H new ATOM 0 HA LEU A 110 2.539 7.111 9.437 1.00 0.34 H new ATOM 0 HB2 LEU A 110 3.404 5.872 12.059 1.00 0.42 H new ATOM 0 HB3 LEU A 110 1.709 5.861 11.614 1.00 0.42 H new ATOM 0 HG LEU A 110 3.818 4.770 9.747 1.00 0.37 H new ATOM 0 HD11 LEU A 110 3.378 2.543 10.693 1.00 0.43 H new ATOM 0 HD12 LEU A 110 4.109 3.634 11.894 1.00 0.43 H new ATOM 0 HD13 LEU A 110 2.366 3.282 11.958 1.00 0.43 H new ATOM 0 HD21 LEU A 110 1.911 3.453 8.909 1.00 0.50 H new ATOM 0 HD22 LEU A 110 0.852 4.225 10.113 1.00 0.50 H new ATOM 0 HD23 LEU A 110 1.590 5.201 8.821 1.00 0.50 H new ATOM 1418 N GLN A 111 1.600 9.212 10.390 1.00 0.65 N ATOM 1419 CA GLN A 111 0.758 10.281 10.918 1.00 0.68 C ATOM 1420 C GLN A 111 -0.493 9.685 11.571 1.00 0.53 C ATOM 1421 O GLN A 111 -1.009 8.666 11.114 1.00 0.47 O ATOM 1422 CB GLN A 111 0.377 11.265 9.811 1.00 0.76 C ATOM 1423 CG GLN A 111 -0.501 12.411 10.281 1.00 1.40 C ATOM 1424 CD GLN A 111 -0.779 13.422 9.184 1.00 1.43 C ATOM 1425 OE1 GLN A 111 -1.698 14.344 9.447 1.00 1.23 O flip ATOM 1426 NE2 GLN A 111 -0.172 13.376 8.114 1.00 2.13 N flip ATOM 0 H GLN A 111 1.761 9.263 9.384 1.00 0.65 H new ATOM 0 HA GLN A 111 1.319 10.830 11.675 1.00 0.68 H new ATOM 0 HB2 GLN A 111 1.287 11.674 9.373 1.00 0.76 H new ATOM 0 HB3 GLN A 111 -0.142 10.724 9.020 1.00 0.76 H new ATOM 0 HG2 GLN A 111 -1.446 12.012 10.650 1.00 1.40 H new ATOM 0 HG3 GLN A 111 -0.018 12.914 11.119 1.00 1.40 H new ATOM 0 HE21 GLN A 111 0.526 12.650 7.955 1.00 2.13 H new ATOM 0 HE22 GLN A 111 -0.367 14.064 7.387 1.00 2.13 H new ATOM 1435 N LEU A 112 -0.975 10.313 12.636 1.00 0.51 N ATOM 1436 CA LEU A 112 -2.165 9.824 13.341 1.00 0.46 C ATOM 1437 C LEU A 112 -3.386 9.785 12.424 1.00 0.35 C ATOM 1438 O LEU A 112 -4.193 8.858 12.489 1.00 0.35 O ATOM 1439 CB LEU A 112 -2.468 10.694 14.563 1.00 0.52 C ATOM 1440 CG LEU A 112 -1.470 10.564 15.712 1.00 1.08 C ATOM 1441 CD1 LEU A 112 -1.796 11.555 16.819 1.00 1.70 C ATOM 1442 CD2 LEU A 112 -1.459 9.142 16.252 1.00 1.64 C ATOM 0 H LEU A 112 -0.566 11.159 13.033 1.00 0.51 H new ATOM 0 HA LEU A 112 -1.949 8.807 13.669 1.00 0.46 H new ATOM 0 HB2 LEU A 112 -2.503 11.737 14.248 1.00 0.52 H new ATOM 0 HB3 LEU A 112 -3.461 10.440 14.934 1.00 0.52 H new ATOM 0 HG LEU A 112 -0.475 10.793 15.330 1.00 1.08 H new ATOM 0 HD11 LEU A 112 -1.074 11.447 17.628 1.00 1.70 H new ATOM 0 HD12 LEU A 112 -1.749 12.570 16.424 1.00 1.70 H new ATOM 0 HD13 LEU A 112 -2.799 11.359 17.199 1.00 1.70 H new ATOM 0 HD21 LEU A 112 -0.742 9.069 17.070 1.00 1.64 H new ATOM 0 HD22 LEU A 112 -2.453 8.884 16.617 1.00 1.64 H new ATOM 0 HD23 LEU A 112 -1.174 8.453 15.457 1.00 1.64 H new ATOM 1454 N SER A 113 -3.523 10.804 11.586 1.00 0.32 N ATOM 1455 CA SER A 113 -4.656 10.899 10.669 1.00 0.33 C ATOM 1456 C SER A 113 -4.532 9.903 9.516 1.00 0.31 C ATOM 1457 O SER A 113 -5.493 9.679 8.782 1.00 0.35 O ATOM 1458 CB SER A 113 -4.772 12.321 10.118 1.00 0.43 C ATOM 1459 OG SER A 113 -3.708 12.613 9.229 1.00 1.32 O ATOM 0 H SER A 113 -2.863 11.579 11.521 1.00 0.32 H new ATOM 0 HA SER A 113 -5.557 10.653 11.231 1.00 0.33 H new ATOM 0 HB2 SER A 113 -5.724 12.437 9.601 1.00 0.43 H new ATOM 0 HB3 SER A 113 -4.768 13.035 10.942 1.00 0.43 H new ATOM 0 HG SER A 113 -3.243 13.421 9.530 1.00 1.32 H new ATOM 1465 N ASP A 114 -3.362 9.284 9.373 1.00 0.30 N ATOM 1466 CA ASP A 114 -3.164 8.294 8.320 1.00 0.32 C ATOM 1467 C ASP A 114 -3.934 7.021 8.653 1.00 0.27 C ATOM 1468 O ASP A 114 -4.191 6.191 7.781 1.00 0.28 O ATOM 1469 CB ASP A 114 -1.680 7.975 8.128 1.00 0.38 C ATOM 1470 CG ASP A 114 -0.927 9.105 7.457 1.00 0.84 C ATOM 1471 OD1 ASP A 114 -1.579 9.950 6.808 1.00 1.53 O ATOM 1472 OD2 ASP A 114 0.315 9.146 7.579 1.00 1.58 O ATOM 0 H ASP A 114 -2.548 9.448 9.965 1.00 0.30 H new ATOM 0 HA ASP A 114 -3.541 8.712 7.387 1.00 0.32 H new ATOM 0 HB2 ASP A 114 -1.228 7.767 9.098 1.00 0.38 H new ATOM 0 HB3 ASP A 114 -1.581 7.070 7.529 1.00 0.38 H new ATOM 1477 N ILE A 115 -4.318 6.889 9.924 1.00 0.24 N ATOM 1478 CA ILE A 115 -5.080 5.746 10.395 1.00 0.21 C ATOM 1479 C ILE A 115 -6.192 5.399 9.409 1.00 0.22 C ATOM 1480 O ILE A 115 -6.816 6.290 8.841 1.00 0.24 O ATOM 1481 CB ILE A 115 -5.670 6.064 11.793 1.00 0.23 C ATOM 1482 CG1 ILE A 115 -4.715 5.594 12.886 1.00 0.33 C ATOM 1483 CG2 ILE A 115 -7.049 5.455 11.990 1.00 0.29 C ATOM 1484 CD1 ILE A 115 -5.073 6.105 14.265 1.00 0.42 C ATOM 0 H ILE A 115 -4.107 7.574 10.650 1.00 0.24 H new ATOM 0 HA ILE A 115 -4.420 4.882 10.473 1.00 0.21 H new ATOM 0 HB ILE A 115 -5.788 7.146 11.859 1.00 0.23 H new ATOM 0 HG12 ILE A 115 -4.704 4.504 12.903 1.00 0.33 H new ATOM 0 HG13 ILE A 115 -3.705 5.919 12.638 1.00 0.33 H new ATOM 0 HG21 ILE A 115 -7.419 5.706 12.984 1.00 0.29 H new ATOM 0 HG22 ILE A 115 -7.732 5.850 11.238 1.00 0.29 H new ATOM 0 HG23 ILE A 115 -6.986 4.371 11.889 1.00 0.29 H new ATOM 0 HD11 ILE A 115 -4.351 5.731 14.991 1.00 0.42 H new ATOM 0 HD12 ILE A 115 -5.056 7.195 14.265 1.00 0.42 H new ATOM 0 HD13 ILE A 115 -6.071 5.758 14.534 1.00 0.42 H new ATOM 1496 N GLY A 116 -6.433 4.106 9.211 1.00 0.22 N ATOM 1497 CA GLY A 116 -7.472 3.686 8.291 1.00 0.24 C ATOM 1498 C GLY A 116 -7.091 2.470 7.469 1.00 0.23 C ATOM 1499 O GLY A 116 -5.922 2.087 7.405 1.00 0.22 O ATOM 0 H GLY A 116 -5.930 3.346 9.669 1.00 0.22 H new ATOM 0 HA2 GLY A 116 -8.379 3.465 8.854 1.00 0.24 H new ATOM 0 HA3 GLY A 116 -7.707 4.511 7.619 1.00 0.24 H new ATOM 1503 N THR A 117 -8.099 1.861 6.855 1.00 0.24 N ATOM 1504 CA THR A 117 -7.919 0.673 6.028 1.00 0.24 C ATOM 1505 C THR A 117 -6.975 0.914 4.850 1.00 0.23 C ATOM 1506 O THR A 117 -7.162 1.848 4.076 1.00 0.25 O ATOM 1507 CB THR A 117 -9.276 0.191 5.510 1.00 0.28 C ATOM 1508 OG1 THR A 117 -10.137 -0.131 6.589 1.00 0.31 O ATOM 1509 CG2 THR A 117 -9.186 -1.030 4.618 1.00 0.31 C ATOM 0 H THR A 117 -9.067 2.178 6.917 1.00 0.24 H new ATOM 0 HA THR A 117 -7.463 -0.091 6.658 1.00 0.24 H new ATOM 0 HB THR A 117 -9.667 1.020 4.920 1.00 0.28 H new ATOM 0 HG1 THR A 117 -10.251 -1.103 6.637 1.00 0.31 H new ATOM 0 HG21 THR A 117 -10.185 -1.314 4.289 1.00 0.31 H new ATOM 0 HG22 THR A 117 -8.569 -0.801 3.749 1.00 0.31 H new ATOM 0 HG23 THR A 117 -8.739 -1.854 5.174 1.00 0.31 H new ATOM 1517 N TYR A 118 -6.000 0.025 4.695 1.00 0.22 N ATOM 1518 CA TYR A 118 -5.054 0.080 3.581 1.00 0.23 C ATOM 1519 C TYR A 118 -5.277 -1.137 2.693 1.00 0.23 C ATOM 1520 O TYR A 118 -5.188 -2.270 3.160 1.00 0.24 O ATOM 1521 CB TYR A 118 -3.602 0.083 4.073 1.00 0.24 C ATOM 1522 CG TYR A 118 -3.140 1.405 4.641 1.00 0.26 C ATOM 1523 CD1 TYR A 118 -3.635 1.868 5.849 1.00 1.18 C ATOM 1524 CD2 TYR A 118 -2.205 2.184 3.971 1.00 1.23 C ATOM 1525 CE1 TYR A 118 -3.214 3.073 6.378 1.00 1.20 C ATOM 1526 CE2 TYR A 118 -1.777 3.390 4.493 1.00 1.24 C ATOM 1527 CZ TYR A 118 -2.285 3.830 5.697 1.00 0.39 C ATOM 1528 OH TYR A 118 -1.862 5.030 6.221 1.00 0.47 O ATOM 0 H TYR A 118 -5.841 -0.753 5.335 1.00 0.22 H new ATOM 0 HA TYR A 118 -5.224 1.004 3.028 1.00 0.23 H new ATOM 0 HB2 TYR A 118 -3.488 -0.687 4.836 1.00 0.24 H new ATOM 0 HB3 TYR A 118 -2.949 -0.191 3.244 1.00 0.24 H new ATOM 0 HD1 TYR A 118 -4.362 1.277 6.386 1.00 1.18 H new ATOM 0 HD2 TYR A 118 -1.806 1.842 3.027 1.00 1.23 H new ATOM 0 HE1 TYR A 118 -3.611 3.420 7.321 1.00 1.20 H new ATOM 0 HE2 TYR A 118 -1.049 3.984 3.961 1.00 1.24 H new ATOM 0 HH TYR A 118 -2.539 5.373 6.841 1.00 0.47 H new ATOM 1538 N GLN A 119 -5.577 -0.913 1.424 1.00 0.23 N ATOM 1539 CA GLN A 119 -5.820 -2.021 0.508 1.00 0.24 C ATOM 1540 C GLN A 119 -4.903 -1.939 -0.703 1.00 0.23 C ATOM 1541 O GLN A 119 -4.874 -0.926 -1.396 1.00 0.24 O ATOM 1542 CB GLN A 119 -7.284 -2.015 0.065 1.00 0.28 C ATOM 1543 CG GLN A 119 -7.641 -3.135 -0.896 1.00 0.37 C ATOM 1544 CD GLN A 119 -9.099 -3.096 -1.311 1.00 0.59 C ATOM 1545 OE1 GLN A 119 -9.649 -2.030 -1.588 1.00 1.03 O ATOM 1546 NE2 GLN A 119 -9.733 -4.261 -1.355 1.00 1.16 N ATOM 0 H GLN A 119 -5.658 0.014 1.006 1.00 0.23 H new ATOM 0 HA GLN A 119 -5.606 -2.954 1.030 1.00 0.24 H new ATOM 0 HB2 GLN A 119 -7.920 -2.090 0.947 1.00 0.28 H new ATOM 0 HB3 GLN A 119 -7.506 -1.059 -0.409 1.00 0.28 H new ATOM 0 HG2 GLN A 119 -7.011 -3.064 -1.783 1.00 0.37 H new ATOM 0 HG3 GLN A 119 -7.425 -4.095 -0.428 1.00 0.37 H new ATOM 0 HE21 GLN A 119 -9.238 -5.120 -1.117 1.00 1.16 H new ATOM 0 HE22 GLN A 119 -10.715 -4.297 -1.627 1.00 1.16 H new ATOM 1555 N CYS A 120 -4.160 -3.012 -0.962 1.00 0.24 N ATOM 1556 CA CYS A 120 -3.251 -3.036 -2.104 1.00 0.24 C ATOM 1557 C CYS A 120 -3.776 -3.957 -3.195 1.00 0.22 C ATOM 1558 O CYS A 120 -3.965 -5.155 -2.974 1.00 0.25 O ATOM 1559 CB CYS A 120 -1.838 -3.460 -1.669 1.00 0.30 C ATOM 1560 SG CYS A 120 -1.637 -5.229 -1.261 1.00 1.03 S ATOM 0 H CYS A 120 -4.168 -3.866 -0.404 1.00 0.24 H new ATOM 0 HA CYS A 120 -3.194 -2.026 -2.510 1.00 0.24 H new ATOM 0 HB2 CYS A 120 -1.140 -3.208 -2.468 1.00 0.30 H new ATOM 0 HB3 CYS A 120 -1.553 -2.870 -0.798 1.00 0.30 H new ATOM 1565 N LYS A 121 -4.014 -3.391 -4.377 1.00 0.20 N ATOM 1566 CA LYS A 121 -4.514 -4.173 -5.494 1.00 0.21 C ATOM 1567 C LYS A 121 -3.479 -4.255 -6.607 1.00 0.21 C ATOM 1568 O LYS A 121 -3.305 -3.306 -7.368 1.00 0.22 O ATOM 1569 CB LYS A 121 -5.802 -3.560 -6.048 1.00 0.25 C ATOM 1570 CG LYS A 121 -6.969 -3.593 -5.077 1.00 0.29 C ATOM 1571 CD LYS A 121 -8.215 -2.973 -5.688 1.00 0.35 C ATOM 1572 CE LYS A 121 -9.385 -3.005 -4.719 1.00 1.28 C ATOM 1573 NZ LYS A 121 -10.037 -4.345 -4.686 1.00 1.76 N ATOM 0 H LYS A 121 -3.869 -2.402 -4.580 1.00 0.20 H new ATOM 0 HA LYS A 121 -4.721 -5.178 -5.126 1.00 0.21 H new ATOM 0 HB2 LYS A 121 -5.607 -2.526 -6.331 1.00 0.25 H new ATOM 0 HB3 LYS A 121 -6.084 -4.092 -6.957 1.00 0.25 H new ATOM 0 HG2 LYS A 121 -7.177 -4.624 -4.790 1.00 0.29 H new ATOM 0 HG3 LYS A 121 -6.702 -3.056 -4.167 1.00 0.29 H new ATOM 0 HD2 LYS A 121 -8.007 -1.942 -5.975 1.00 0.35 H new ATOM 0 HD3 LYS A 121 -8.481 -3.510 -6.599 1.00 0.35 H new ATOM 0 HE2 LYS A 121 -9.037 -2.745 -3.719 1.00 1.28 H new ATOM 0 HE3 LYS A 121 -10.117 -2.251 -5.008 1.00 1.28 H new ATOM 0 HZ1 LYS A 121 -10.958 -4.271 -4.208 1.00 1.76 H new ATOM 0 HZ2 LYS A 121 -10.178 -4.687 -5.658 1.00 1.76 H new ATOM 0 HZ3 LYS A 121 -9.431 -5.013 -4.169 1.00 1.76 H new ATOM 1587 N VAL A 122 -2.827 -5.407 -6.717 1.00 0.22 N ATOM 1588 CA VAL A 122 -1.831 -5.632 -7.759 1.00 0.24 C ATOM 1589 C VAL A 122 -2.516 -6.205 -8.984 1.00 0.24 C ATOM 1590 O VAL A 122 -3.039 -7.318 -8.953 1.00 0.25 O ATOM 1591 CB VAL A 122 -0.729 -6.590 -7.277 1.00 0.28 C ATOM 1592 CG1 VAL A 122 -1.346 -7.880 -6.774 1.00 1.15 C ATOM 1593 CG2 VAL A 122 0.284 -6.858 -8.382 1.00 1.18 C ATOM 0 H VAL A 122 -2.971 -6.203 -6.095 1.00 0.22 H new ATOM 0 HA VAL A 122 -1.361 -4.680 -8.006 1.00 0.24 H new ATOM 0 HB VAL A 122 -0.194 -6.119 -6.452 1.00 0.28 H new ATOM 0 HG11 VAL A 122 -0.558 -8.552 -6.435 1.00 1.15 H new ATOM 0 HG12 VAL A 122 -2.019 -7.662 -5.945 1.00 1.15 H new ATOM 0 HG13 VAL A 122 -1.905 -8.354 -7.580 1.00 1.15 H new ATOM 0 HG21 VAL A 122 1.052 -7.538 -8.014 1.00 1.18 H new ATOM 0 HG22 VAL A 122 -0.221 -7.308 -9.237 1.00 1.18 H new ATOM 0 HG23 VAL A 122 0.747 -5.919 -8.687 1.00 1.18 H new ATOM 1603 N LYS A 123 -2.557 -5.418 -10.050 1.00 0.26 N ATOM 1604 CA LYS A 123 -3.243 -5.851 -11.267 1.00 0.28 C ATOM 1605 C LYS A 123 -2.300 -6.325 -12.367 1.00 0.29 C ATOM 1606 O LYS A 123 -1.502 -5.546 -12.878 1.00 0.33 O ATOM 1607 CB LYS A 123 -4.113 -4.709 -11.798 1.00 0.32 C ATOM 1608 CG LYS A 123 -4.928 -5.080 -13.026 1.00 0.37 C ATOM 1609 CD LYS A 123 -5.771 -3.909 -13.506 1.00 0.48 C ATOM 1610 CE LYS A 123 -6.638 -4.295 -14.693 1.00 0.98 C ATOM 1611 NZ LYS A 123 -5.828 -4.809 -15.831 1.00 1.62 N ATOM 0 H LYS A 123 -2.133 -4.492 -10.102 1.00 0.26 H new ATOM 0 HA LYS A 123 -3.853 -6.710 -10.989 1.00 0.28 H new ATOM 0 HB2 LYS A 123 -4.790 -4.383 -11.009 1.00 0.32 H new ATOM 0 HB3 LYS A 123 -3.474 -3.860 -12.040 1.00 0.32 H new ATOM 0 HG2 LYS A 123 -4.260 -5.401 -13.825 1.00 0.37 H new ATOM 0 HG3 LYS A 123 -5.576 -5.925 -12.793 1.00 0.37 H new ATOM 0 HD2 LYS A 123 -6.404 -3.557 -12.691 1.00 0.48 H new ATOM 0 HD3 LYS A 123 -5.120 -3.081 -13.784 1.00 0.48 H new ATOM 0 HE2 LYS A 123 -7.355 -5.056 -14.386 1.00 0.98 H new ATOM 0 HE3 LYS A 123 -7.213 -3.428 -15.019 1.00 0.98 H new ATOM 0 HZ1 LYS A 123 -6.427 -4.884 -16.678 1.00 1.62 H new ATOM 0 HZ2 LYS A 123 -5.042 -4.155 -16.021 1.00 1.62 H new ATOM 0 HZ3 LYS A 123 -5.448 -5.747 -15.591 1.00 1.62 H new ATOM 1625 N LYS A 124 -2.443 -7.584 -12.787 1.00 0.29 N ATOM 1626 CA LYS A 124 -1.634 -8.098 -13.886 1.00 0.31 C ATOM 1627 C LYS A 124 -2.463 -9.057 -14.731 1.00 0.32 C ATOM 1628 O LYS A 124 -2.689 -10.203 -14.354 1.00 0.35 O ATOM 1629 CB LYS A 124 -0.375 -8.799 -13.365 1.00 0.38 C ATOM 1630 CG LYS A 124 0.570 -9.225 -14.477 1.00 1.18 C ATOM 1631 CD LYS A 124 1.915 -9.695 -13.942 1.00 1.17 C ATOM 1632 CE LYS A 124 1.778 -10.909 -13.039 1.00 2.14 C ATOM 1633 NZ LYS A 124 2.481 -12.093 -13.603 1.00 2.84 N ATOM 0 H LYS A 124 -3.101 -8.254 -12.389 1.00 0.29 H new ATOM 0 HA LYS A 124 -1.317 -7.257 -14.503 1.00 0.31 H new ATOM 0 HB2 LYS A 124 0.152 -8.130 -12.684 1.00 0.38 H new ATOM 0 HB3 LYS A 124 -0.667 -9.676 -12.787 1.00 0.38 H new ATOM 0 HG2 LYS A 124 0.110 -10.027 -15.054 1.00 1.18 H new ATOM 0 HG3 LYS A 124 0.725 -8.389 -15.160 1.00 1.18 H new ATOM 0 HD2 LYS A 124 2.572 -9.937 -14.777 1.00 1.17 H new ATOM 0 HD3 LYS A 124 2.388 -8.884 -13.389 1.00 1.17 H new ATOM 0 HE2 LYS A 124 2.185 -10.679 -12.054 1.00 2.14 H new ATOM 0 HE3 LYS A 124 0.722 -11.143 -12.901 1.00 2.14 H new ATOM 0 HZ1 LYS A 124 2.216 -12.943 -13.066 1.00 2.84 H new ATOM 0 HZ2 LYS A 124 2.210 -12.215 -14.600 1.00 2.84 H new ATOM 0 HZ3 LYS A 124 3.509 -11.950 -13.538 1.00 2.84 H new ATOM 1647 N ALA A 125 -2.916 -8.554 -15.876 1.00 0.35 N ATOM 1648 CA ALA A 125 -3.740 -9.321 -16.807 1.00 0.39 C ATOM 1649 C ALA A 125 -3.139 -10.684 -17.156 1.00 0.40 C ATOM 1650 O ALA A 125 -1.960 -10.775 -17.496 1.00 0.40 O ATOM 1651 CB ALA A 125 -3.974 -8.517 -18.077 1.00 0.44 C ATOM 0 H ALA A 125 -2.722 -7.602 -16.185 1.00 0.35 H new ATOM 0 HA ALA A 125 -4.688 -9.513 -16.305 1.00 0.39 H new ATOM 0 HB1 ALA A 125 -4.589 -9.096 -18.766 1.00 0.44 H new ATOM 0 HB2 ALA A 125 -4.484 -7.586 -17.829 1.00 0.44 H new ATOM 0 HB3 ALA A 125 -3.017 -8.292 -18.547 1.00 0.44 H new ATOM 1657 N PRO A 126 -3.944 -11.769 -17.093 1.00 0.44 N ATOM 1658 CA PRO A 126 -5.345 -11.739 -16.701 1.00 0.48 C ATOM 1659 C PRO A 126 -5.547 -12.165 -15.248 1.00 0.49 C ATOM 1660 O PRO A 126 -6.436 -12.964 -14.951 1.00 0.56 O ATOM 1661 CB PRO A 126 -5.930 -12.791 -17.633 1.00 0.56 C ATOM 1662 CG PRO A 126 -4.856 -13.831 -17.734 1.00 0.55 C ATOM 1663 CD PRO A 126 -3.542 -13.147 -17.406 1.00 0.48 C ATOM 0 HA PRO A 126 -5.792 -10.747 -16.771 1.00 0.48 H new ATOM 0 HB2 PRO A 126 -6.853 -13.209 -17.232 1.00 0.56 H new ATOM 0 HB3 PRO A 126 -6.169 -12.369 -18.609 1.00 0.56 H new ATOM 0 HG2 PRO A 126 -5.047 -14.651 -17.042 1.00 0.55 H new ATOM 0 HG3 PRO A 126 -4.828 -14.260 -18.736 1.00 0.55 H new ATOM 0 HD2 PRO A 126 -3.042 -13.621 -16.562 1.00 0.48 H new ATOM 0 HD3 PRO A 126 -2.850 -13.182 -18.247 1.00 0.48 H new ATOM 1671 N GLY A 127 -4.721 -11.642 -14.341 1.00 0.45 N ATOM 1672 CA GLY A 127 -4.842 -11.999 -12.957 1.00 0.48 C ATOM 1673 C GLY A 127 -4.564 -10.845 -12.022 1.00 0.42 C ATOM 1674 O GLY A 127 -3.415 -10.470 -11.774 1.00 0.39 O ATOM 0 H GLY A 127 -3.975 -10.979 -14.551 1.00 0.45 H new ATOM 0 HA2 GLY A 127 -5.848 -12.375 -12.771 1.00 0.48 H new ATOM 0 HA3 GLY A 127 -4.151 -12.813 -12.736 1.00 0.48 H new ATOM 1678 N VAL A 128 -5.637 -10.307 -11.489 1.00 0.44 N ATOM 1679 CA VAL A 128 -5.567 -9.211 -10.529 1.00 0.41 C ATOM 1680 C VAL A 128 -5.459 -9.777 -9.116 1.00 0.43 C ATOM 1681 O VAL A 128 -5.814 -10.930 -8.871 1.00 0.60 O ATOM 1682 CB VAL A 128 -6.786 -8.265 -10.627 1.00 0.44 C ATOM 1683 CG1 VAL A 128 -8.072 -9.050 -10.841 1.00 1.12 C ATOM 1684 CG2 VAL A 128 -6.902 -7.372 -9.397 1.00 1.22 C ATOM 0 H VAL A 128 -6.587 -10.611 -11.704 1.00 0.44 H new ATOM 0 HA VAL A 128 -4.682 -8.621 -10.765 1.00 0.41 H new ATOM 0 HB VAL A 128 -6.628 -7.622 -11.493 1.00 0.44 H new ATOM 0 HG11 VAL A 128 -8.913 -8.360 -10.906 1.00 1.12 H new ATOM 0 HG12 VAL A 128 -7.999 -9.622 -11.766 1.00 1.12 H new ATOM 0 HG13 VAL A 128 -8.226 -9.731 -10.004 1.00 1.12 H new ATOM 0 HG21 VAL A 128 -7.770 -6.721 -9.501 1.00 1.22 H new ATOM 0 HG22 VAL A 128 -7.017 -7.991 -8.507 1.00 1.22 H new ATOM 0 HG23 VAL A 128 -6.002 -6.765 -9.302 1.00 1.22 H new ATOM 1694 N ALA A 129 -4.959 -8.969 -8.196 1.00 0.38 N ATOM 1695 CA ALA A 129 -4.797 -9.405 -6.810 1.00 0.43 C ATOM 1696 C ALA A 129 -5.055 -8.261 -5.827 1.00 0.34 C ATOM 1697 O ALA A 129 -4.596 -7.141 -6.040 1.00 0.36 O ATOM 1698 CB ALA A 129 -3.404 -9.984 -6.618 1.00 0.57 C ATOM 0 H ALA A 129 -4.658 -8.011 -8.378 1.00 0.38 H new ATOM 0 HA ALA A 129 -5.537 -10.178 -6.602 1.00 0.43 H new ATOM 0 HB1 ALA A 129 -3.284 -10.309 -5.584 1.00 0.57 H new ATOM 0 HB2 ALA A 129 -3.269 -10.836 -7.284 1.00 0.57 H new ATOM 0 HB3 ALA A 129 -2.659 -9.223 -6.848 1.00 0.57 H new ATOM 1704 N ASN A 130 -5.806 -8.543 -4.757 1.00 0.32 N ATOM 1705 CA ASN A 130 -6.128 -7.517 -3.762 1.00 0.30 C ATOM 1706 C ASN A 130 -6.238 -8.085 -2.341 1.00 0.28 C ATOM 1707 O ASN A 130 -6.807 -9.157 -2.134 1.00 0.30 O ATOM 1708 CB ASN A 130 -7.446 -6.846 -4.145 1.00 0.38 C ATOM 1709 CG ASN A 130 -8.612 -7.816 -4.137 1.00 1.14 C ATOM 1710 OD1 ASN A 130 -9.045 -8.277 -3.081 1.00 2.03 O ATOM 1711 ND2 ASN A 130 -9.122 -8.137 -5.321 1.00 1.36 N ATOM 0 H ASN A 130 -6.198 -9.464 -4.560 1.00 0.32 H new ATOM 0 HA ASN A 130 -5.311 -6.795 -3.758 1.00 0.30 H new ATOM 0 HB2 ASN A 130 -7.650 -6.031 -3.451 1.00 0.38 H new ATOM 0 HB3 ASN A 130 -7.351 -6.404 -5.137 1.00 0.38 H new ATOM 0 HD21 ASN A 130 -9.904 -8.790 -5.380 1.00 1.36 H new ATOM 0 HD22 ASN A 130 -8.732 -7.731 -6.171 1.00 1.36 H new ATOM 1718 N LYS A 131 -5.708 -7.342 -1.361 1.00 0.27 N ATOM 1719 CA LYS A 131 -5.766 -7.755 0.047 1.00 0.28 C ATOM 1720 C LYS A 131 -5.909 -6.544 0.975 1.00 0.26 C ATOM 1721 O LYS A 131 -5.649 -5.407 0.571 1.00 0.28 O ATOM 1722 CB LYS A 131 -4.528 -8.551 0.421 1.00 0.34 C ATOM 1723 CG LYS A 131 -3.247 -7.761 0.261 1.00 0.99 C ATOM 1724 CD LYS A 131 -2.136 -8.613 -0.316 1.00 1.19 C ATOM 1725 CE LYS A 131 -0.863 -8.494 0.504 1.00 2.18 C ATOM 1726 NZ LYS A 131 -1.008 -9.083 1.861 1.00 2.95 N ATOM 0 H LYS A 131 -5.234 -6.452 -1.517 1.00 0.27 H new ATOM 0 HA LYS A 131 -6.645 -8.387 0.171 1.00 0.28 H new ATOM 0 HB2 LYS A 131 -4.616 -8.885 1.455 1.00 0.34 H new ATOM 0 HB3 LYS A 131 -4.477 -9.446 -0.200 1.00 0.34 H new ATOM 0 HG2 LYS A 131 -3.425 -6.905 -0.390 1.00 0.99 H new ATOM 0 HG3 LYS A 131 -2.939 -7.367 1.229 1.00 0.99 H new ATOM 0 HD2 LYS A 131 -2.454 -9.655 -0.348 1.00 1.19 H new ATOM 0 HD3 LYS A 131 -1.938 -8.308 -1.344 1.00 1.19 H new ATOM 0 HE2 LYS A 131 -0.048 -8.992 -0.021 1.00 2.18 H new ATOM 0 HE3 LYS A 131 -0.589 -7.443 0.594 1.00 2.18 H new ATOM 0 HZ1 LYS A 131 -0.390 -8.577 2.527 1.00 2.95 H new ATOM 0 HZ2 LYS A 131 -1.996 -8.997 2.173 1.00 2.95 H new ATOM 0 HZ3 LYS A 131 -0.739 -10.087 1.834 1.00 2.95 H new ATOM 1740 N LYS A 132 -6.348 -6.792 2.215 1.00 0.26 N ATOM 1741 CA LYS A 132 -6.558 -5.723 3.191 1.00 0.26 C ATOM 1742 C LYS A 132 -5.426 -5.585 4.202 1.00 0.24 C ATOM 1743 O LYS A 132 -4.871 -6.571 4.679 1.00 0.24 O ATOM 1744 CB LYS A 132 -7.834 -5.976 3.977 1.00 0.30 C ATOM 1745 CG LYS A 132 -9.097 -5.946 3.132 1.00 0.89 C ATOM 1746 CD LYS A 132 -10.337 -6.206 3.973 1.00 1.19 C ATOM 1747 CE LYS A 132 -11.602 -6.177 3.130 1.00 1.83 C ATOM 1748 NZ LYS A 132 -11.861 -4.825 2.561 1.00 2.26 N ATOM 0 H LYS A 132 -6.564 -7.726 2.564 1.00 0.26 H new ATOM 0 HA LYS A 132 -6.611 -4.804 2.607 1.00 0.26 H new ATOM 0 HB2 LYS A 132 -7.760 -6.947 4.467 1.00 0.30 H new ATOM 0 HB3 LYS A 132 -7.918 -5.227 4.764 1.00 0.30 H new ATOM 0 HG2 LYS A 132 -9.185 -4.976 2.642 1.00 0.89 H new ATOM 0 HG3 LYS A 132 -9.027 -6.696 2.344 1.00 0.89 H new ATOM 0 HD2 LYS A 132 -10.248 -7.176 4.463 1.00 1.19 H new ATOM 0 HD3 LYS A 132 -10.407 -5.456 4.761 1.00 1.19 H new ATOM 0 HE2 LYS A 132 -11.515 -6.901 2.320 1.00 1.83 H new ATOM 0 HE3 LYS A 132 -12.452 -6.483 3.740 1.00 1.83 H new ATOM 0 HZ1 LYS A 132 -12.811 -4.803 2.138 1.00 2.26 H new ATOM 0 HZ2 LYS A 132 -11.802 -4.113 3.317 1.00 2.26 H new ATOM 0 HZ3 LYS A 132 -11.152 -4.614 1.830 1.00 2.26 H new ATOM 1762 N ILE A 133 -5.143 -4.339 4.559 1.00 0.23 N ATOM 1763 CA ILE A 133 -4.145 -4.013 5.563 1.00 0.22 C ATOM 1764 C ILE A 133 -4.666 -2.845 6.395 1.00 0.22 C ATOM 1765 O ILE A 133 -4.821 -1.749 5.880 1.00 0.28 O ATOM 1766 CB ILE A 133 -2.790 -3.652 4.917 1.00 0.22 C ATOM 1767 CG1 ILE A 133 -2.199 -4.889 4.238 1.00 0.25 C ATOM 1768 CG2 ILE A 133 -1.818 -3.087 5.951 1.00 0.22 C ATOM 1769 CD1 ILE A 133 -0.996 -4.590 3.376 1.00 0.27 C ATOM 0 H ILE A 133 -5.604 -3.523 4.156 1.00 0.23 H new ATOM 0 HA ILE A 133 -3.976 -4.883 6.197 1.00 0.22 H new ATOM 0 HB ILE A 133 -2.957 -2.878 4.167 1.00 0.22 H new ATOM 0 HG12 ILE A 133 -1.916 -5.613 5.003 1.00 0.25 H new ATOM 0 HG13 ILE A 133 -2.968 -5.358 3.624 1.00 0.25 H new ATOM 0 HG21 ILE A 133 -0.873 -2.842 5.466 1.00 0.22 H new ATOM 0 HG22 ILE A 133 -2.242 -2.186 6.395 1.00 0.22 H new ATOM 0 HG23 ILE A 133 -1.644 -3.829 6.731 1.00 0.22 H new ATOM 0 HD11 ILE A 133 -0.631 -5.514 2.927 1.00 0.27 H new ATOM 0 HD12 ILE A 133 -1.277 -3.891 2.589 1.00 0.27 H new ATOM 0 HD13 ILE A 133 -0.210 -4.149 3.989 1.00 0.27 H new ATOM 1781 N HIS A 134 -4.956 -3.071 7.669 1.00 0.21 N ATOM 1782 CA HIS A 134 -5.483 -1.998 8.510 1.00 0.21 C ATOM 1783 C HIS A 134 -4.382 -1.379 9.350 1.00 0.20 C ATOM 1784 O HIS A 134 -3.763 -2.050 10.173 1.00 0.21 O ATOM 1785 CB HIS A 134 -6.597 -2.529 9.413 1.00 0.25 C ATOM 1786 CG HIS A 134 -7.942 -2.543 8.756 1.00 0.31 C ATOM 1787 ND1 HIS A 134 -9.122 -2.393 9.453 1.00 0.47 N ATOM 1788 CD2 HIS A 134 -8.291 -2.688 7.456 1.00 0.41 C ATOM 1789 CE1 HIS A 134 -10.139 -2.445 8.611 1.00 0.55 C ATOM 1790 NE2 HIS A 134 -9.661 -2.623 7.394 1.00 0.49 N ATOM 0 H HIS A 134 -4.839 -3.969 8.139 1.00 0.21 H new ATOM 0 HA HIS A 134 -5.893 -1.227 7.858 1.00 0.21 H new ATOM 0 HB2 HIS A 134 -6.346 -3.541 9.730 1.00 0.25 H new ATOM 0 HB3 HIS A 134 -6.647 -1.916 10.313 1.00 0.25 H new ATOM 0 HD1 HIS A 134 -9.198 -2.262 10.462 1.00 0.47 H new ATOM 0 HD2 HIS A 134 -7.618 -2.829 6.623 1.00 0.41 H new ATOM 0 HE1 HIS A 134 -11.183 -2.357 8.874 1.00 0.55 H new ATOM 1799 N LEU A 135 -4.132 -0.093 9.130 1.00 0.19 N ATOM 1800 CA LEU A 135 -3.090 0.603 9.864 1.00 0.19 C ATOM 1801 C LEU A 135 -3.636 1.304 11.100 1.00 0.19 C ATOM 1802 O LEU A 135 -4.457 2.215 11.003 1.00 0.21 O ATOM 1803 CB LEU A 135 -2.391 1.614 8.958 1.00 0.21 C ATOM 1804 CG LEU A 135 -0.885 1.747 9.182 1.00 0.69 C ATOM 1805 CD1 LEU A 135 -0.583 2.012 10.650 1.00 1.52 C ATOM 1806 CD2 LEU A 135 -0.170 0.491 8.704 1.00 1.32 C ATOM 0 H LEU A 135 -4.634 0.482 8.454 1.00 0.19 H new ATOM 0 HA LEU A 135 -2.371 -0.145 10.198 1.00 0.19 H new ATOM 0 HB2 LEU A 135 -2.565 1.331 7.920 1.00 0.21 H new ATOM 0 HB3 LEU A 135 -2.853 2.591 9.104 1.00 0.21 H new ATOM 0 HG LEU A 135 -0.520 2.595 8.603 1.00 0.69 H new ATOM 0 HD11 LEU A 135 0.494 2.104 10.789 1.00 1.52 H new ATOM 0 HD12 LEU A 135 -1.069 2.937 10.960 1.00 1.52 H new ATOM 0 HD13 LEU A 135 -0.958 1.185 11.254 1.00 1.52 H new ATOM 0 HD21 LEU A 135 0.902 0.598 8.869 1.00 1.32 H new ATOM 0 HD22 LEU A 135 -0.539 -0.371 9.260 1.00 1.32 H new ATOM 0 HD23 LEU A 135 -0.361 0.346 7.641 1.00 1.32 H new ATOM 1818 N VAL A 136 -3.141 0.892 12.259 1.00 0.21 N ATOM 1819 CA VAL A 136 -3.536 1.496 13.520 1.00 0.23 C ATOM 1820 C VAL A 136 -2.343 2.252 14.094 1.00 0.21 C ATOM 1821 O VAL A 136 -1.287 1.666 14.326 1.00 0.23 O ATOM 1822 CB VAL A 136 -4.012 0.432 14.528 1.00 0.27 C ATOM 1823 CG1 VAL A 136 -4.441 1.078 15.838 1.00 0.32 C ATOM 1824 CG2 VAL A 136 -5.141 -0.403 13.935 1.00 0.31 C ATOM 0 H VAL A 136 -2.461 0.137 12.350 1.00 0.21 H new ATOM 0 HA VAL A 136 -4.368 2.177 13.338 1.00 0.23 H new ATOM 0 HB VAL A 136 -3.175 -0.233 14.742 1.00 0.27 H new ATOM 0 HG11 VAL A 136 -4.773 0.306 16.533 1.00 0.32 H new ATOM 0 HG12 VAL A 136 -3.599 1.618 16.270 1.00 0.32 H new ATOM 0 HG13 VAL A 136 -5.259 1.773 15.650 1.00 0.32 H new ATOM 0 HG21 VAL A 136 -5.463 -1.148 14.662 1.00 0.31 H new ATOM 0 HG22 VAL A 136 -5.980 0.246 13.684 1.00 0.31 H new ATOM 0 HG23 VAL A 136 -4.788 -0.904 13.034 1.00 0.31 H new ATOM 1834 N VAL A 137 -2.496 3.555 14.289 1.00 0.21 N ATOM 1835 CA VAL A 137 -1.404 4.370 14.795 1.00 0.21 C ATOM 1836 C VAL A 137 -1.548 4.681 16.279 1.00 0.24 C ATOM 1837 O VAL A 137 -2.539 5.269 16.711 1.00 0.31 O ATOM 1838 CB VAL A 137 -1.293 5.695 14.017 1.00 0.26 C ATOM 1839 CG1 VAL A 137 -0.048 6.462 14.437 1.00 1.08 C ATOM 1840 CG2 VAL A 137 -1.287 5.434 12.518 1.00 1.06 C ATOM 0 H VAL A 137 -3.360 4.066 14.106 1.00 0.21 H new ATOM 0 HA VAL A 137 -0.498 3.780 14.653 1.00 0.21 H new ATOM 0 HB VAL A 137 -2.163 6.307 14.254 1.00 0.26 H new ATOM 0 HG11 VAL A 137 0.012 7.394 13.876 1.00 1.08 H new ATOM 0 HG12 VAL A 137 -0.099 6.683 15.503 1.00 1.08 H new ATOM 0 HG13 VAL A 137 0.837 5.859 14.233 1.00 1.08 H new ATOM 0 HG21 VAL A 137 -1.208 6.381 11.984 1.00 1.06 H new ATOM 0 HG22 VAL A 137 -0.437 4.801 12.262 1.00 1.06 H new ATOM 0 HG23 VAL A 137 -2.212 4.932 12.232 1.00 1.06 H new ATOM 1850 N LEU A 138 -0.530 4.307 17.048 1.00 0.24 N ATOM 1851 CA LEU A 138 -0.517 4.573 18.482 1.00 0.30 C ATOM 1852 C LEU A 138 -0.002 5.989 18.719 1.00 0.31 C ATOM 1853 O LEU A 138 0.485 6.634 17.790 1.00 0.26 O ATOM 1854 CB LEU A 138 0.362 3.558 19.219 1.00 0.36 C ATOM 1855 CG LEU A 138 -0.068 2.096 19.074 1.00 0.42 C ATOM 1856 CD1 LEU A 138 0.927 1.178 19.767 1.00 0.52 C ATOM 1857 CD2 LEU A 138 -1.468 1.893 19.636 1.00 0.51 C ATOM 0 H LEU A 138 0.296 3.819 16.702 1.00 0.24 H new ATOM 0 HA LEU A 138 -1.531 4.479 18.871 1.00 0.30 H new ATOM 0 HB2 LEU A 138 1.385 3.657 18.856 1.00 0.36 H new ATOM 0 HB3 LEU A 138 0.373 3.813 20.279 1.00 0.36 H new ATOM 0 HG LEU A 138 -0.086 1.845 18.014 1.00 0.42 H new ATOM 0 HD11 LEU A 138 0.606 0.142 19.654 1.00 0.52 H new ATOM 0 HD12 LEU A 138 1.912 1.304 19.318 1.00 0.52 H new ATOM 0 HD13 LEU A 138 0.977 1.429 20.827 1.00 0.52 H new ATOM 0 HD21 LEU A 138 -1.757 0.848 19.524 1.00 0.51 H new ATOM 0 HD22 LEU A 138 -1.478 2.161 20.692 1.00 0.51 H new ATOM 0 HD23 LEU A 138 -2.173 2.524 19.094 1.00 0.51 H new ATOM 1869 N VAL A 139 -0.124 6.488 19.944 1.00 0.45 N ATOM 1870 CA VAL A 139 0.324 7.845 20.240 1.00 0.49 C ATOM 1871 C VAL A 139 1.840 7.917 20.367 1.00 0.49 C ATOM 1872 O VAL A 139 2.473 7.064 20.989 1.00 0.62 O ATOM 1873 CB VAL A 139 -0.294 8.401 21.533 1.00 0.70 C ATOM 1874 CG1 VAL A 139 -0.438 9.912 21.446 1.00 1.19 C ATOM 1875 CG2 VAL A 139 -1.636 7.746 21.838 1.00 1.48 C ATOM 0 H VAL A 139 -0.522 5.984 20.736 1.00 0.45 H new ATOM 0 HA VAL A 139 -0.010 8.452 19.399 1.00 0.49 H new ATOM 0 HB VAL A 139 0.381 8.163 22.355 1.00 0.70 H new ATOM 0 HG11 VAL A 139 -0.877 10.289 22.370 1.00 1.19 H new ATOM 0 HG12 VAL A 139 0.543 10.363 21.300 1.00 1.19 H new ATOM 0 HG13 VAL A 139 -1.084 10.168 20.606 1.00 1.19 H new ATOM 0 HG21 VAL A 139 -2.044 8.163 22.759 1.00 1.48 H new ATOM 0 HG22 VAL A 139 -2.328 7.934 21.017 1.00 1.48 H new ATOM 0 HG23 VAL A 139 -1.498 6.671 21.957 1.00 1.48 H new ATOM 1885 N LYS A 140 2.402 8.955 19.770 1.00 0.47 N ATOM 1886 CA LYS A 140 3.842 9.190 19.791 1.00 0.54 C ATOM 1887 C LYS A 140 4.152 10.629 19.372 1.00 0.59 C ATOM 1888 O LYS A 140 3.253 11.367 18.969 1.00 0.68 O ATOM 1889 CB LYS A 140 4.558 8.194 18.874 1.00 0.68 C ATOM 1890 CG LYS A 140 5.120 6.990 19.614 1.00 0.81 C ATOM 1891 CD LYS A 140 6.594 6.770 19.305 1.00 1.12 C ATOM 1892 CE LYS A 140 7.410 6.579 20.575 1.00 1.63 C ATOM 1893 NZ LYS A 140 8.673 7.368 20.550 1.00 2.20 N ATOM 0 H LYS A 140 1.875 9.661 19.256 1.00 0.47 H new ATOM 0 HA LYS A 140 4.205 9.042 20.808 1.00 0.54 H new ATOM 0 HB2 LYS A 140 3.861 7.849 18.110 1.00 0.68 H new ATOM 0 HB3 LYS A 140 5.370 8.706 18.358 1.00 0.68 H new ATOM 0 HG2 LYS A 140 4.991 7.131 20.687 1.00 0.81 H new ATOM 0 HG3 LYS A 140 4.555 6.099 19.340 1.00 0.81 H new ATOM 0 HD2 LYS A 140 6.706 5.895 18.665 1.00 1.12 H new ATOM 0 HD3 LYS A 140 6.981 7.623 18.748 1.00 1.12 H new ATOM 0 HE2 LYS A 140 6.814 6.877 21.437 1.00 1.63 H new ATOM 0 HE3 LYS A 140 7.645 5.522 20.699 1.00 1.63 H new ATOM 0 HZ1 LYS A 140 9.199 7.210 21.433 1.00 2.20 H new ATOM 0 HZ2 LYS A 140 9.255 7.067 19.742 1.00 2.20 H new ATOM 0 HZ3 LYS A 140 8.449 8.379 20.457 1.00 2.20 H new ATOM 1907 N PRO A 141 5.426 11.055 19.461 1.00 0.69 N ATOM 1908 CA PRO A 141 5.830 12.417 19.086 1.00 0.81 C ATOM 1909 C PRO A 141 5.316 12.824 17.706 1.00 1.00 C ATOM 1910 O PRO A 141 4.797 11.997 16.955 1.00 1.31 O ATOM 1911 CB PRO A 141 7.357 12.344 19.091 1.00 0.97 C ATOM 1912 CG PRO A 141 7.673 11.267 20.070 1.00 1.06 C ATOM 1913 CD PRO A 141 6.570 10.252 19.934 1.00 0.83 C ATOM 0 HA PRO A 141 5.421 13.164 19.766 1.00 0.81 H new ATOM 0 HB2 PRO A 141 7.747 12.108 18.101 1.00 0.97 H new ATOM 0 HB3 PRO A 141 7.799 13.295 19.389 1.00 0.97 H new ATOM 0 HG2 PRO A 141 8.644 10.820 19.859 1.00 1.06 H new ATOM 0 HG3 PRO A 141 7.718 11.662 21.085 1.00 1.06 H new ATOM 0 HD2 PRO A 141 6.831 9.467 19.224 1.00 0.83 H new ATOM 0 HD3 PRO A 141 6.353 9.764 20.884 1.00 0.83 H new ATOM 1921 N SER A 142 5.457 14.112 17.387 1.00 1.11 N ATOM 1922 CA SER A 142 5.003 14.659 16.105 1.00 1.45 C ATOM 1923 C SER A 142 5.289 13.717 14.938 1.00 1.70 C ATOM 1924 O SER A 142 4.372 13.142 14.355 1.00 2.25 O ATOM 1925 CB SER A 142 5.669 16.013 15.848 1.00 1.68 C ATOM 1926 OG SER A 142 5.468 16.896 16.937 1.00 2.31 O ATOM 0 H SER A 142 5.886 14.802 18.004 1.00 1.11 H new ATOM 0 HA SER A 142 3.922 14.781 16.172 1.00 1.45 H new ATOM 0 HB2 SER A 142 6.737 15.871 15.684 1.00 1.68 H new ATOM 0 HB3 SER A 142 5.263 16.455 14.938 1.00 1.68 H new ATOM 0 HG SER A 142 5.905 17.753 16.748 1.00 2.31 H new ATOM 1932 N GLY A 143 6.562 13.571 14.601 1.00 1.71 N ATOM 1933 CA GLY A 143 6.946 12.705 13.499 1.00 2.26 C ATOM 1934 C GLY A 143 6.486 13.238 12.153 1.00 1.83 C ATOM 1935 O GLY A 143 7.307 13.589 11.305 1.00 2.52 O ATOM 0 H GLY A 143 7.339 14.036 15.070 1.00 1.71 H new ATOM 0 HA2 GLY A 143 8.030 12.592 13.490 1.00 2.26 H new ATOM 0 HA3 GLY A 143 6.524 11.713 13.657 1.00 2.26 H new ATOM 1939 N ALA A 144 5.171 13.303 11.957 1.00 1.27 N ATOM 1940 CA ALA A 144 4.600 13.801 10.709 1.00 1.39 C ATOM 1941 C ALA A 144 5.140 13.037 9.505 1.00 2.01 C ATOM 1942 O ALA A 144 6.252 13.371 9.044 1.00 2.51 O ATOM 1943 CB ALA A 144 4.879 15.288 10.558 1.00 1.73 C ATOM 1944 OXT ALA A 144 4.448 12.111 9.033 1.00 2.60 O ATOM 0 H ALA A 144 4.479 13.016 12.649 1.00 1.27 H new ATOM 0 HA ALA A 144 3.522 13.643 10.749 1.00 1.39 H new ATOM 0 HB1 ALA A 144 4.448 15.646 9.623 1.00 1.73 H new ATOM 0 HB2 ALA A 144 4.434 15.828 11.393 1.00 1.73 H new ATOM 0 HB3 ALA A 144 5.956 15.457 10.549 1.00 1.73 H new TER 1950 ALA A 144