USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 739 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 58 ASN : amide:sc= 0.163 K(o=0.046,f=-0.76!) USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= -0.116 USER MOD Set 2.1: A 13 LYS NZ :NH3+ -131:sc= -1.39 (180deg=-0.799) USER MOD Set 2.2: A 80 GLN : amide:sc= -1.03 K(o=-2.4,f=-0.13) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -160:sc= -0.906 USER MOD Single : A 6 SER OG : rot -19:sc= 0.695 USER MOD Single : A 14 LYS NZ :NH3+ -115:sc= 0.0205 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot -128:sc= 0.308 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.055) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc=-0.00353 X(o=-0.0035,f=-0.087) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -104:sc= 0.295 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.185 X(o=-0.18,f=-0.12) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0543 USER MOD Single : A 67 HIS : no HD1:sc= -2.71! K(o=-2.7!,f=-2) USER MOD Single : A 73 MET CE :methyl 169:sc= -0.556 (180deg=-0.71) USER MOD Single : A 76 LYS NZ :NH3+ 164:sc= -0.0237 (180deg=-0.212) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0196) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 24:sc= 0.159 USER MOD Single : A 101 SER OG : rot 180:sc= -0.0154 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.580 -4.814 -23.718 1.00 0.00 N ATOM 2 CA GLY A 1 -13.321 -6.229 -23.524 1.00 0.00 C ATOM 3 C GLY A 1 -13.510 -6.661 -22.083 1.00 0.00 C ATOM 4 O GLY A 1 -14.637 -6.866 -21.632 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.437 -4.569 -24.719 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.561 -4.600 -23.446 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.928 -4.258 -23.129 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.987 -6.808 -24.164 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.302 -6.455 -23.837 1.00 0.00 H new ATOM 8 N SER A 2 -12.404 -6.801 -21.359 1.00 0.00 N ATOM 9 CA SER A 2 -12.453 -7.216 -19.962 1.00 0.00 C ATOM 10 C SER A 2 -12.610 -6.010 -19.042 1.00 0.00 C ATOM 11 O SER A 2 -11.926 -5.000 -19.201 1.00 0.00 O ATOM 12 CB SER A 2 -11.185 -7.991 -19.595 1.00 0.00 C ATOM 13 OG SER A 2 -11.281 -8.535 -18.290 1.00 0.00 O ATOM 0 H SER A 2 -11.464 -6.633 -21.717 1.00 0.00 H new ATOM 0 HA SER A 2 -13.319 -7.865 -19.831 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.023 -8.793 -20.316 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.321 -7.330 -19.654 1.00 0.00 H new ATOM 0 HG SER A 2 -10.460 -9.027 -18.079 1.00 0.00 H new ATOM 19 N SER A 3 -13.518 -6.124 -18.077 1.00 0.00 N ATOM 20 CA SER A 3 -13.770 -5.043 -17.133 1.00 0.00 C ATOM 21 C SER A 3 -13.548 -5.512 -15.698 1.00 0.00 C ATOM 22 O SER A 3 -13.279 -6.687 -15.452 1.00 0.00 O ATOM 23 CB SER A 3 -15.198 -4.518 -17.294 1.00 0.00 C ATOM 24 OG SER A 3 -16.140 -5.426 -16.749 1.00 0.00 O ATOM 0 H SER A 3 -14.091 -6.955 -17.929 1.00 0.00 H new ATOM 0 HA SER A 3 -13.068 -4.237 -17.347 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.291 -3.551 -16.799 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.413 -4.357 -18.350 1.00 0.00 H new ATOM 0 HG SER A 3 -17.045 -5.067 -16.863 1.00 0.00 H new ATOM 30 N GLY A 4 -13.661 -4.582 -14.754 1.00 0.00 N ATOM 31 CA GLY A 4 -13.470 -4.919 -13.355 1.00 0.00 C ATOM 32 C GLY A 4 -12.294 -4.187 -12.738 1.00 0.00 C ATOM 33 O GLY A 4 -11.429 -3.676 -13.451 1.00 0.00 O ATOM 0 H GLY A 4 -13.881 -3.602 -14.933 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.376 -4.678 -12.799 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.315 -5.994 -13.261 1.00 0.00 H new ATOM 37 N SER A 5 -12.263 -4.134 -11.411 1.00 0.00 N ATOM 38 CA SER A 5 -11.187 -3.454 -10.698 1.00 0.00 C ATOM 39 C SER A 5 -9.876 -4.221 -10.833 1.00 0.00 C ATOM 40 O SER A 5 -8.857 -3.665 -11.244 1.00 0.00 O ATOM 41 CB SER A 5 -11.547 -3.293 -9.220 1.00 0.00 C ATOM 42 OG SER A 5 -12.130 -4.478 -8.706 1.00 0.00 O ATOM 0 H SER A 5 -12.970 -4.553 -10.807 1.00 0.00 H new ATOM 0 HA SER A 5 -11.058 -2.467 -11.142 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.652 -3.047 -8.649 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.241 -2.461 -9.100 1.00 0.00 H new ATOM 0 HG SER A 5 -12.631 -4.269 -7.890 1.00 0.00 H new ATOM 48 N SER A 6 -9.909 -5.503 -10.485 1.00 0.00 N ATOM 49 CA SER A 6 -8.723 -6.348 -10.563 1.00 0.00 C ATOM 50 C SER A 6 -7.525 -5.664 -9.912 1.00 0.00 C ATOM 51 O SER A 6 -6.434 -5.626 -10.478 1.00 0.00 O ATOM 52 CB SER A 6 -8.404 -6.682 -12.022 1.00 0.00 C ATOM 53 OG SER A 6 -7.808 -5.577 -12.679 1.00 0.00 O ATOM 0 H SER A 6 -10.745 -5.980 -10.146 1.00 0.00 H new ATOM 0 HA SER A 6 -8.929 -7.272 -10.023 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.732 -7.539 -12.064 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.319 -6.968 -12.541 1.00 0.00 H new ATOM 0 HG SER A 6 -8.000 -4.756 -12.179 1.00 0.00 H new ATOM 59 N GLY A 7 -7.738 -5.123 -8.716 1.00 0.00 N ATOM 60 CA GLY A 7 -6.668 -4.447 -8.006 1.00 0.00 C ATOM 61 C GLY A 7 -6.326 -3.103 -8.617 1.00 0.00 C ATOM 62 O GLY A 7 -5.990 -3.018 -9.799 1.00 0.00 O ATOM 0 H GLY A 7 -8.633 -5.141 -8.226 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.959 -4.306 -6.965 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.780 -5.079 -8.006 1.00 0.00 H new ATOM 66 N ARG A 8 -6.412 -2.049 -7.812 1.00 0.00 N ATOM 67 CA ARG A 8 -6.112 -0.702 -8.282 1.00 0.00 C ATOM 68 C ARG A 8 -4.645 -0.357 -8.042 1.00 0.00 C ATOM 69 O ARG A 8 -4.019 -0.872 -7.116 1.00 0.00 O ATOM 70 CB ARG A 8 -7.008 0.318 -7.578 1.00 0.00 C ATOM 71 CG ARG A 8 -6.805 0.371 -6.072 1.00 0.00 C ATOM 72 CD ARG A 8 -7.682 1.434 -5.429 1.00 0.00 C ATOM 73 NE ARG A 8 -9.059 0.978 -5.259 1.00 0.00 N ATOM 74 CZ ARG A 8 -9.891 1.475 -4.350 1.00 0.00 C ATOM 75 NH1 ARG A 8 -9.487 2.439 -3.534 1.00 0.00 N ATOM 76 NH2 ARG A 8 -11.129 1.008 -4.257 1.00 0.00 N ATOM 0 H ARG A 8 -6.687 -2.102 -6.831 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.306 -0.667 -9.354 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.818 1.306 -7.997 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.051 0.079 -7.787 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.034 -0.602 -5.638 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.758 0.580 -5.852 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.268 1.707 -4.458 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.671 2.334 -6.044 1.00 0.00 H new ATOM 0 HE ARG A 8 -9.401 0.237 -5.872 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.536 2.801 -3.603 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.127 2.819 -2.837 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -11.443 0.267 -4.884 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -11.767 1.390 -3.559 1.00 0.00 H new ATOM 90 N VAL A 9 -4.103 0.517 -8.885 1.00 0.00 N ATOM 91 CA VAL A 9 -2.710 0.931 -8.764 1.00 0.00 C ATOM 92 C VAL A 9 -2.598 2.292 -8.086 1.00 0.00 C ATOM 93 O VAL A 9 -3.240 3.258 -8.498 1.00 0.00 O ATOM 94 CB VAL A 9 -2.023 0.998 -10.142 1.00 0.00 C ATOM 95 CG1 VAL A 9 -0.584 1.468 -9.999 1.00 0.00 C ATOM 96 CG2 VAL A 9 -2.085 -0.355 -10.833 1.00 0.00 C ATOM 0 H VAL A 9 -4.607 0.951 -9.658 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.209 0.181 -8.152 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.556 1.721 -10.760 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.115 1.509 -10.982 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.568 2.460 -9.548 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.035 0.772 -9.364 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.595 -0.290 -11.805 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.578 -1.100 -10.220 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.126 -0.646 -10.970 1.00 0.00 H new ATOM 106 N VAL A 10 -1.777 2.361 -7.043 1.00 0.00 N ATOM 107 CA VAL A 10 -1.578 3.605 -6.307 1.00 0.00 C ATOM 108 C VAL A 10 -0.144 4.101 -6.445 1.00 0.00 C ATOM 109 O VAL A 10 0.778 3.316 -6.666 1.00 0.00 O ATOM 110 CB VAL A 10 -1.910 3.432 -4.813 1.00 0.00 C ATOM 111 CG1 VAL A 10 -1.920 4.780 -4.109 1.00 0.00 C ATOM 112 CG2 VAL A 10 -3.244 2.721 -4.642 1.00 0.00 C ATOM 0 H VAL A 10 -1.239 1.570 -6.688 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.256 4.341 -6.739 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.136 2.816 -4.355 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.156 4.638 -3.054 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.939 5.246 -4.201 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.672 5.424 -4.566 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.462 2.607 -3.580 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.032 3.308 -5.114 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.195 1.738 -5.109 1.00 0.00 H new ATOM 122 N VAL A 11 0.039 5.411 -6.311 1.00 0.00 N ATOM 123 CA VAL A 11 1.362 6.014 -6.418 1.00 0.00 C ATOM 124 C VAL A 11 1.539 7.135 -5.401 1.00 0.00 C ATOM 125 O VAL A 11 0.829 8.140 -5.439 1.00 0.00 O ATOM 126 CB VAL A 11 1.611 6.574 -7.832 1.00 0.00 C ATOM 127 CG1 VAL A 11 2.946 7.300 -7.891 1.00 0.00 C ATOM 128 CG2 VAL A 11 1.554 5.458 -8.864 1.00 0.00 C ATOM 0 H VAL A 11 -0.713 6.075 -6.128 1.00 0.00 H new ATOM 0 HA VAL A 11 2.087 5.225 -6.215 1.00 0.00 H new ATOM 0 HB VAL A 11 0.824 7.292 -8.064 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.105 7.689 -8.897 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.943 8.126 -7.179 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.749 6.607 -7.639 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.732 5.871 -9.857 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.318 4.714 -8.638 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.571 4.988 -8.838 1.00 0.00 H new ATOM 138 N ILE A 12 2.492 6.956 -4.492 1.00 0.00 N ATOM 139 CA ILE A 12 2.764 7.954 -3.465 1.00 0.00 C ATOM 140 C ILE A 12 4.219 8.408 -3.511 1.00 0.00 C ATOM 141 O ILE A 12 5.083 7.709 -4.041 1.00 0.00 O ATOM 142 CB ILE A 12 2.452 7.412 -2.057 1.00 0.00 C ATOM 143 CG1 ILE A 12 1.089 6.716 -2.045 1.00 0.00 C ATOM 144 CG2 ILE A 12 2.486 8.539 -1.036 1.00 0.00 C ATOM 145 CD1 ILE A 12 0.991 5.597 -1.032 1.00 0.00 C ATOM 0 H ILE A 12 3.088 6.130 -4.446 1.00 0.00 H new ATOM 0 HA ILE A 12 2.114 8.804 -3.671 1.00 0.00 H new ATOM 0 HB ILE A 12 3.215 6.681 -1.788 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.315 7.454 -1.835 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.886 6.315 -3.038 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.264 8.140 -0.046 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.476 8.994 -1.030 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.742 9.291 -1.299 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.002 5.149 -1.079 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.742 4.839 -1.254 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.162 5.996 -0.032 1.00 0.00 H new ATOM 157 N LYS A 13 4.484 9.584 -2.952 1.00 0.00 N ATOM 158 CA LYS A 13 5.834 10.133 -2.926 1.00 0.00 C ATOM 159 C LYS A 13 6.128 10.791 -1.581 1.00 0.00 C ATOM 160 O LYS A 13 5.500 11.784 -1.214 1.00 0.00 O ATOM 161 CB LYS A 13 6.015 11.150 -4.054 1.00 0.00 C ATOM 162 CG LYS A 13 5.163 10.861 -5.277 1.00 0.00 C ATOM 163 CD LYS A 13 5.179 12.023 -6.256 1.00 0.00 C ATOM 164 CE LYS A 13 6.599 12.468 -6.570 1.00 0.00 C ATOM 165 NZ LYS A 13 7.406 11.367 -7.165 1.00 0.00 N ATOM 0 H LYS A 13 3.780 10.176 -2.510 1.00 0.00 H new ATOM 0 HA LYS A 13 6.536 9.312 -3.070 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.771 12.144 -3.678 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.064 11.170 -4.349 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.529 9.962 -5.772 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.138 10.659 -4.968 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.676 11.730 -7.178 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.618 12.859 -5.839 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.571 13.312 -7.260 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.080 12.819 -5.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.316 11.295 -6.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.889 10.469 -7.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.577 11.566 -8.171 1.00 0.00 H new ATOM 179 N LYS A 14 7.088 10.232 -0.852 1.00 0.00 N ATOM 180 CA LYS A 14 7.468 10.765 0.451 1.00 0.00 C ATOM 181 C LYS A 14 7.431 12.290 0.447 1.00 0.00 C ATOM 182 O LYS A 14 7.930 12.930 -0.478 1.00 0.00 O ATOM 183 CB LYS A 14 8.868 10.280 0.835 1.00 0.00 C ATOM 184 CG LYS A 14 9.094 10.200 2.335 1.00 0.00 C ATOM 185 CD LYS A 14 10.371 9.447 2.667 1.00 0.00 C ATOM 186 CE LYS A 14 10.121 7.951 2.782 1.00 0.00 C ATOM 187 NZ LYS A 14 9.619 7.574 4.132 1.00 0.00 N ATOM 0 H LYS A 14 7.617 9.410 -1.142 1.00 0.00 H new ATOM 0 HA LYS A 14 6.750 10.403 1.187 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.035 9.296 0.398 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.608 10.952 0.400 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.146 11.206 2.750 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.245 9.704 2.806 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.117 9.634 1.894 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.782 9.821 3.604 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.397 7.645 2.027 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.045 7.412 2.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.320 6.971 4.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.462 8.433 4.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.723 7.054 4.037 1.00 0.00 H new ATOM 201 N GLY A 15 6.837 12.866 1.487 1.00 0.00 N ATOM 202 CA GLY A 15 6.747 14.312 1.584 1.00 0.00 C ATOM 203 C GLY A 15 6.889 14.807 3.009 1.00 0.00 C ATOM 204 O GLY A 15 7.741 14.330 3.758 1.00 0.00 O ATOM 0 H GLY A 15 6.416 12.358 2.265 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.524 14.764 0.967 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.789 14.641 1.182 1.00 0.00 H new ATOM 208 N SER A 16 6.054 15.770 3.385 1.00 0.00 N ATOM 209 CA SER A 16 6.094 16.336 4.729 1.00 0.00 C ATOM 210 C SER A 16 6.178 15.233 5.780 1.00 0.00 C ATOM 211 O SER A 16 7.207 15.059 6.431 1.00 0.00 O ATOM 212 CB SER A 16 4.856 17.200 4.979 1.00 0.00 C ATOM 213 OG SER A 16 5.016 18.493 4.421 1.00 0.00 O ATOM 0 H SER A 16 5.341 16.175 2.778 1.00 0.00 H new ATOM 0 HA SER A 16 6.985 16.959 4.808 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.979 16.719 4.545 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.677 17.283 6.051 1.00 0.00 H new ATOM 0 HG SER A 16 4.211 19.025 4.593 1.00 0.00 H new ATOM 219 N ASN A 17 5.087 14.490 5.938 1.00 0.00 N ATOM 220 CA ASN A 17 5.037 13.404 6.910 1.00 0.00 C ATOM 221 C ASN A 17 5.058 12.048 6.212 1.00 0.00 C ATOM 222 O ASN A 17 4.027 11.392 6.074 1.00 0.00 O ATOM 223 CB ASN A 17 3.781 13.525 7.776 1.00 0.00 C ATOM 224 CG ASN A 17 3.806 14.755 8.663 1.00 0.00 C ATOM 225 OD1 ASN A 17 3.034 15.693 8.464 1.00 0.00 O ATOM 226 ND2 ASN A 17 4.696 14.755 9.649 1.00 0.00 N ATOM 0 H ASN A 17 4.227 14.620 5.406 1.00 0.00 H new ATOM 0 HA ASN A 17 5.918 13.478 7.547 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.902 13.562 7.133 1.00 0.00 H new ATOM 0 HB3 ASN A 17 3.684 12.635 8.397 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.759 15.555 10.279 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.316 13.955 9.776 1.00 0.00 H new ATOM 233 N GLY A 18 6.243 11.633 5.774 1.00 0.00 N ATOM 234 CA GLY A 18 6.378 10.357 5.096 1.00 0.00 C ATOM 235 C GLY A 18 5.359 10.179 3.988 1.00 0.00 C ATOM 236 O GLY A 18 5.200 11.052 3.135 1.00 0.00 O ATOM 0 H GLY A 18 7.112 12.158 5.877 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.382 10.275 4.679 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.267 9.550 5.821 1.00 0.00 H new ATOM 240 N TYR A 19 4.668 9.044 3.998 1.00 0.00 N ATOM 241 CA TYR A 19 3.662 8.752 2.984 1.00 0.00 C ATOM 242 C TYR A 19 2.266 9.118 3.480 1.00 0.00 C ATOM 243 O TYR A 19 1.544 9.876 2.833 1.00 0.00 O ATOM 244 CB TYR A 19 3.708 7.272 2.601 1.00 0.00 C ATOM 245 CG TYR A 19 4.985 6.868 1.900 1.00 0.00 C ATOM 246 CD1 TYR A 19 6.110 6.495 2.624 1.00 0.00 C ATOM 247 CD2 TYR A 19 5.066 6.858 0.513 1.00 0.00 C ATOM 248 CE1 TYR A 19 7.280 6.125 1.988 1.00 0.00 C ATOM 249 CE2 TYR A 19 6.231 6.488 -0.132 1.00 0.00 C ATOM 250 CZ TYR A 19 7.335 6.123 0.610 1.00 0.00 C ATOM 251 OH TYR A 19 8.497 5.755 -0.028 1.00 0.00 O ATOM 0 H TYR A 19 4.786 8.311 4.698 1.00 0.00 H new ATOM 0 HA TYR A 19 3.885 9.355 2.104 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.591 6.669 3.501 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.861 7.046 1.953 1.00 0.00 H new ATOM 0 HD1 TYR A 19 6.070 6.494 3.703 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.204 7.144 -0.071 1.00 0.00 H new ATOM 0 HE1 TYR A 19 8.146 5.839 2.567 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.277 6.485 -1.211 1.00 0.00 H new ATOM 0 HH TYR A 19 8.750 6.448 -0.673 1.00 0.00 H new ATOM 261 N GLY A 20 1.894 8.573 4.634 1.00 0.00 N ATOM 262 CA GLY A 20 0.587 8.853 5.199 1.00 0.00 C ATOM 263 C GLY A 20 -0.302 7.626 5.240 1.00 0.00 C ATOM 264 O GLY A 20 -1.525 7.733 5.141 1.00 0.00 O ATOM 0 H GLY A 20 2.474 7.943 5.188 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.708 9.244 6.209 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.100 9.631 4.612 1.00 0.00 H new ATOM 268 N PHE A 21 0.313 6.457 5.385 1.00 0.00 N ATOM 269 CA PHE A 21 -0.431 5.203 5.436 1.00 0.00 C ATOM 270 C PHE A 21 0.337 4.147 6.224 1.00 0.00 C ATOM 271 O PHE A 21 1.556 4.029 6.100 1.00 0.00 O ATOM 272 CB PHE A 21 -0.713 4.695 4.020 1.00 0.00 C ATOM 273 CG PHE A 21 0.479 4.060 3.363 1.00 0.00 C ATOM 274 CD1 PHE A 21 0.740 2.709 3.529 1.00 0.00 C ATOM 275 CD2 PHE A 21 1.339 4.813 2.580 1.00 0.00 C ATOM 276 CE1 PHE A 21 1.837 2.122 2.926 1.00 0.00 C ATOM 277 CE2 PHE A 21 2.437 4.232 1.974 1.00 0.00 C ATOM 278 CZ PHE A 21 2.685 2.884 2.147 1.00 0.00 C ATOM 0 H PHE A 21 1.324 6.351 5.469 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.378 5.391 5.942 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.526 3.970 4.058 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.056 5.527 3.406 1.00 0.00 H new ATOM 0 HD1 PHE A 21 0.079 2.108 4.136 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.149 5.867 2.441 1.00 0.00 H new ATOM 0 HE1 PHE A 21 2.030 1.068 3.064 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.100 4.831 1.367 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.541 2.427 1.673 1.00 0.00 H new ATOM 288 N TYR A 22 -0.385 3.382 7.036 1.00 0.00 N ATOM 289 CA TYR A 22 0.228 2.337 7.847 1.00 0.00 C ATOM 290 C TYR A 22 -0.069 0.956 7.272 1.00 0.00 C ATOM 291 O TYR A 22 -0.845 0.818 6.326 1.00 0.00 O ATOM 292 CB TYR A 22 -0.276 2.421 9.289 1.00 0.00 C ATOM 293 CG TYR A 22 0.093 3.711 9.986 1.00 0.00 C ATOM 294 CD1 TYR A 22 -0.536 4.906 9.656 1.00 0.00 C ATOM 295 CD2 TYR A 22 1.070 3.736 10.973 1.00 0.00 C ATOM 296 CE1 TYR A 22 -0.202 6.087 10.289 1.00 0.00 C ATOM 297 CE2 TYR A 22 1.410 4.912 11.612 1.00 0.00 C ATOM 298 CZ TYR A 22 0.771 6.085 11.267 1.00 0.00 C ATOM 299 OH TYR A 22 1.107 7.259 11.901 1.00 0.00 O ATOM 0 H TYR A 22 -1.395 3.466 7.150 1.00 0.00 H new ATOM 0 HA TYR A 22 1.307 2.490 7.836 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.361 2.313 9.293 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.129 1.583 9.856 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.299 4.911 8.892 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.573 2.820 11.245 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.700 7.007 10.020 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.172 4.913 12.378 1.00 0.00 H new ATOM 0 HH TYR A 22 1.808 7.084 12.563 1.00 0.00 H new ATOM 309 N LEU A 23 0.554 -0.065 7.850 1.00 0.00 N ATOM 310 CA LEU A 23 0.357 -1.438 7.397 1.00 0.00 C ATOM 311 C LEU A 23 0.223 -2.388 8.582 1.00 0.00 C ATOM 312 O LEU A 23 0.892 -2.222 9.603 1.00 0.00 O ATOM 313 CB LEU A 23 1.523 -1.874 6.508 1.00 0.00 C ATOM 314 CG LEU A 23 1.640 -1.164 5.159 1.00 0.00 C ATOM 315 CD1 LEU A 23 2.975 -1.480 4.503 1.00 0.00 C ATOM 316 CD2 LEU A 23 0.488 -1.560 4.246 1.00 0.00 C ATOM 0 H LEU A 23 1.200 0.032 8.633 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.566 -1.475 6.819 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.451 -1.720 7.059 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.434 -2.945 6.326 1.00 0.00 H new ATOM 0 HG LEU A 23 1.589 -0.089 5.331 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.040 -0.966 3.544 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.786 -1.146 5.150 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.057 -2.555 4.344 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.588 -1.045 3.290 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.508 -2.637 4.082 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.457 -1.281 4.711 1.00 0.00 H new ATOM 328 N ARG A 24 -0.643 -3.386 8.439 1.00 0.00 N ATOM 329 CA ARG A 24 -0.864 -4.364 9.497 1.00 0.00 C ATOM 330 C ARG A 24 -1.059 -5.761 8.915 1.00 0.00 C ATOM 331 O ARG A 24 -1.591 -5.917 7.816 1.00 0.00 O ATOM 332 CB ARG A 24 -2.083 -3.974 10.336 1.00 0.00 C ATOM 333 CG ARG A 24 -2.181 -4.726 11.653 1.00 0.00 C ATOM 334 CD ARG A 24 -3.476 -4.402 12.383 1.00 0.00 C ATOM 335 NE ARG A 24 -3.809 -5.416 13.381 1.00 0.00 N ATOM 336 CZ ARG A 24 -3.226 -5.494 14.572 1.00 0.00 C ATOM 337 NH1 ARG A 24 -2.286 -4.623 14.912 1.00 0.00 N ATOM 338 NH2 ARG A 24 -3.584 -6.444 15.426 1.00 0.00 N ATOM 0 H ARG A 24 -1.203 -3.538 7.600 1.00 0.00 H new ATOM 0 HA ARG A 24 0.019 -4.376 10.136 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.046 -2.904 10.540 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.987 -4.156 9.755 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.126 -5.798 11.466 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.331 -4.468 12.285 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.385 -3.431 12.869 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.289 -4.322 11.661 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.528 -6.101 13.151 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.009 -3.891 14.258 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.840 -4.685 15.827 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.307 -7.115 15.168 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.136 -6.503 16.340 1.00 0.00 H new ATOM 352 N ALA A 25 -0.626 -6.773 9.659 1.00 0.00 N ATOM 353 CA ALA A 25 -0.754 -8.156 9.217 1.00 0.00 C ATOM 354 C ALA A 25 -2.220 -8.564 9.111 1.00 0.00 C ATOM 355 O ALA A 25 -2.881 -8.808 10.119 1.00 0.00 O ATOM 356 CB ALA A 25 -0.013 -9.085 10.167 1.00 0.00 C ATOM 0 H ALA A 25 -0.183 -6.661 10.571 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.308 -8.238 8.226 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.117 -10.114 9.824 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.043 -8.815 10.190 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.433 -8.992 11.169 1.00 0.00 H new ATOM 362 N GLY A 26 -2.722 -8.636 7.882 1.00 0.00 N ATOM 363 CA GLY A 26 -4.107 -9.014 7.667 1.00 0.00 C ATOM 364 C GLY A 26 -4.360 -10.479 7.964 1.00 0.00 C ATOM 365 O GLY A 26 -3.460 -11.218 8.362 1.00 0.00 O ATOM 0 H GLY A 26 -2.195 -8.439 7.031 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.750 -8.402 8.299 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.382 -8.803 6.634 1.00 0.00 H new ATOM 369 N PRO A 27 -5.613 -10.917 7.771 1.00 0.00 N ATOM 370 CA PRO A 27 -6.012 -12.306 8.017 1.00 0.00 C ATOM 371 C PRO A 27 -5.413 -13.270 6.998 1.00 0.00 C ATOM 372 O PRO A 27 -4.477 -12.924 6.279 1.00 0.00 O ATOM 373 CB PRO A 27 -7.536 -12.267 7.883 1.00 0.00 C ATOM 374 CG PRO A 27 -7.809 -11.101 6.996 1.00 0.00 C ATOM 375 CD PRO A 27 -6.736 -10.091 7.299 1.00 0.00 C ATOM 0 HA PRO A 27 -5.665 -12.664 8.986 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.919 -13.191 7.451 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.016 -12.146 8.854 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.784 -11.394 5.947 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.799 -10.688 7.188 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.466 -9.514 6.415 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.058 -9.379 8.059 1.00 0.00 H new ATOM 383 N GLU A 28 -5.961 -14.480 6.942 1.00 0.00 N ATOM 384 CA GLU A 28 -5.479 -15.493 6.010 1.00 0.00 C ATOM 385 C GLU A 28 -5.152 -14.874 4.654 1.00 0.00 C ATOM 386 O GLU A 28 -4.180 -15.257 4.004 1.00 0.00 O ATOM 387 CB GLU A 28 -6.523 -16.599 5.840 1.00 0.00 C ATOM 388 CG GLU A 28 -6.765 -17.407 7.104 1.00 0.00 C ATOM 389 CD GLU A 28 -7.985 -18.301 6.999 1.00 0.00 C ATOM 390 OE1 GLU A 28 -7.834 -19.460 6.558 1.00 0.00 O ATOM 391 OE2 GLU A 28 -9.090 -17.844 7.359 1.00 0.00 O ATOM 0 H GLU A 28 -6.738 -14.782 7.530 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.567 -15.924 6.422 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.464 -16.153 5.519 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.201 -17.272 5.045 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.888 -18.019 7.313 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.888 -16.727 7.947 1.00 0.00 H new ATOM 398 N GLN A 29 -5.973 -13.917 4.234 1.00 0.00 N ATOM 399 CA GLN A 29 -5.772 -13.245 2.955 1.00 0.00 C ATOM 400 C GLN A 29 -4.386 -12.613 2.884 1.00 0.00 C ATOM 401 O GLN A 29 -4.105 -11.629 3.569 1.00 0.00 O ATOM 402 CB GLN A 29 -6.845 -12.176 2.743 1.00 0.00 C ATOM 403 CG GLN A 29 -7.166 -11.918 1.279 1.00 0.00 C ATOM 404 CD GLN A 29 -7.974 -13.038 0.653 1.00 0.00 C ATOM 405 OE1 GLN A 29 -9.200 -13.068 0.758 1.00 0.00 O ATOM 406 NE2 GLN A 29 -7.289 -13.967 -0.004 1.00 0.00 N ATOM 0 H GLN A 29 -6.783 -13.589 4.760 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.851 -13.991 2.164 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.756 -12.480 3.258 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.515 -11.245 3.203 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.719 -10.983 1.192 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.237 -11.791 0.724 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -6.273 -13.903 -0.066 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -7.779 -14.745 -0.446 1.00 0.00 H new ATOM 415 N LYS A 30 -3.523 -13.184 2.051 1.00 0.00 N ATOM 416 CA LYS A 30 -2.166 -12.676 1.888 1.00 0.00 C ATOM 417 C LYS A 30 -2.176 -11.178 1.602 1.00 0.00 C ATOM 418 O LYS A 30 -3.023 -10.684 0.860 1.00 0.00 O ATOM 419 CB LYS A 30 -1.454 -13.418 0.755 1.00 0.00 C ATOM 420 CG LYS A 30 -1.460 -14.928 0.918 1.00 0.00 C ATOM 421 CD LYS A 30 -0.524 -15.372 2.030 1.00 0.00 C ATOM 422 CE LYS A 30 -1.243 -15.446 3.368 1.00 0.00 C ATOM 423 NZ LYS A 30 -0.327 -15.161 4.507 1.00 0.00 N ATOM 0 H LYS A 30 -3.739 -14.000 1.478 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.627 -12.846 2.820 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.930 -13.161 -0.191 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.422 -13.071 0.697 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.473 -15.267 1.136 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.161 -15.397 -0.019 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.105 -16.348 1.786 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.312 -14.676 2.103 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.067 -14.732 3.377 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.679 -16.437 3.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.855 -15.221 5.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.446 -15.857 4.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.069 -14.205 4.403 1.00 0.00 H new ATOM 437 N GLY A 31 -1.226 -10.460 2.195 1.00 0.00 N ATOM 438 CA GLY A 31 -1.144 -9.026 1.990 1.00 0.00 C ATOM 439 C GLY A 31 -1.329 -8.245 3.275 1.00 0.00 C ATOM 440 O GLY A 31 -1.808 -8.784 4.273 1.00 0.00 O ATOM 0 H GLY A 31 -0.512 -10.846 2.813 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.176 -8.779 1.555 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.904 -8.721 1.271 1.00 0.00 H new ATOM 444 N GLN A 32 -0.948 -6.972 3.253 1.00 0.00 N ATOM 445 CA GLN A 32 -1.073 -6.116 4.427 1.00 0.00 C ATOM 446 C GLN A 32 -2.279 -5.191 4.300 1.00 0.00 C ATOM 447 O GLN A 32 -2.682 -4.829 3.195 1.00 0.00 O ATOM 448 CB GLN A 32 0.200 -5.291 4.621 1.00 0.00 C ATOM 449 CG GLN A 32 1.474 -6.119 4.579 1.00 0.00 C ATOM 450 CD GLN A 32 1.568 -7.104 5.727 1.00 0.00 C ATOM 451 OE1 GLN A 32 1.450 -6.728 6.894 1.00 0.00 O ATOM 452 NE2 GLN A 32 1.781 -8.374 5.402 1.00 0.00 N ATOM 0 H GLN A 32 -0.550 -6.510 2.435 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.219 -6.755 5.298 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.248 -4.526 3.847 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.145 -4.773 5.578 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.519 -6.662 3.635 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.337 -5.453 4.605 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.873 -8.641 4.422 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.853 -9.082 6.133 1.00 0.00 H new ATOM 461 N ILE A 33 -2.850 -4.813 5.439 1.00 0.00 N ATOM 462 CA ILE A 33 -4.009 -3.929 5.455 1.00 0.00 C ATOM 463 C ILE A 33 -3.618 -2.517 5.875 1.00 0.00 C ATOM 464 O ILE A 33 -2.876 -2.328 6.840 1.00 0.00 O ATOM 465 CB ILE A 33 -5.102 -4.452 6.405 1.00 0.00 C ATOM 466 CG1 ILE A 33 -5.295 -5.958 6.217 1.00 0.00 C ATOM 467 CG2 ILE A 33 -6.410 -3.711 6.168 1.00 0.00 C ATOM 468 CD1 ILE A 33 -6.490 -6.511 6.961 1.00 0.00 C ATOM 0 H ILE A 33 -2.529 -5.105 6.362 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.403 -3.906 4.439 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.786 -4.271 7.432 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.408 -6.172 5.154 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.397 -6.476 6.553 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -7.172 -4.092 6.847 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.263 -2.646 6.349 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.733 -3.863 5.138 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -6.565 -7.584 6.782 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.370 -6.329 8.029 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.397 -6.020 6.609 1.00 0.00 H new ATOM 480 N ILE A 34 -4.123 -1.527 5.146 1.00 0.00 N ATOM 481 CA ILE A 34 -3.829 -0.131 5.445 1.00 0.00 C ATOM 482 C ILE A 34 -4.829 0.439 6.445 1.00 0.00 C ATOM 483 O ILE A 34 -5.972 -0.012 6.524 1.00 0.00 O ATOM 484 CB ILE A 34 -3.844 0.733 4.171 1.00 0.00 C ATOM 485 CG1 ILE A 34 -2.700 0.327 3.239 1.00 0.00 C ATOM 486 CG2 ILE A 34 -3.743 2.208 4.530 1.00 0.00 C ATOM 487 CD1 ILE A 34 -2.666 1.112 1.947 1.00 0.00 C ATOM 0 H ILE A 34 -4.738 -1.666 4.344 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.830 -0.105 5.879 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.787 0.569 3.650 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.752 0.460 3.761 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.790 -0.734 3.008 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.755 2.806 3.619 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.588 2.488 5.159 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.814 2.388 5.070 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.830 0.771 1.336 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.599 0.959 1.404 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.545 2.172 2.169 1.00 0.00 H new ATOM 499 N LYS A 35 -4.392 1.436 7.207 1.00 0.00 N ATOM 500 CA LYS A 35 -5.249 2.073 8.200 1.00 0.00 C ATOM 501 C LYS A 35 -4.564 3.293 8.808 1.00 0.00 C ATOM 502 O LYS A 35 -3.366 3.502 8.619 1.00 0.00 O ATOM 503 CB LYS A 35 -5.613 1.076 9.304 1.00 0.00 C ATOM 504 CG LYS A 35 -4.424 0.289 9.828 1.00 0.00 C ATOM 505 CD LYS A 35 -4.840 -1.087 10.320 1.00 0.00 C ATOM 506 CE LYS A 35 -5.953 -0.997 11.353 1.00 0.00 C ATOM 507 NZ LYS A 35 -5.421 -0.746 12.721 1.00 0.00 N ATOM 0 H LYS A 35 -3.449 1.821 7.156 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.160 2.402 7.700 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -6.074 1.615 10.131 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.359 0.380 8.922 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.679 0.185 9.039 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.952 0.840 10.641 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.174 -1.691 9.476 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.979 -1.595 10.755 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.640 -0.197 11.078 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.526 -1.924 11.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.210 -0.691 13.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.785 -1.522 12.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.895 0.151 12.730 1.00 0.00 H new ATOM 521 N ASP A 36 -5.332 4.093 9.539 1.00 0.00 N ATOM 522 CA ASP A 36 -4.798 5.291 10.177 1.00 0.00 C ATOM 523 C ASP A 36 -4.169 6.222 9.145 1.00 0.00 C ATOM 524 O ASP A 36 -3.058 6.717 9.337 1.00 0.00 O ATOM 525 CB ASP A 36 -3.763 4.912 11.238 1.00 0.00 C ATOM 526 CG ASP A 36 -4.403 4.413 12.519 1.00 0.00 C ATOM 527 OD1 ASP A 36 -5.117 3.390 12.465 1.00 0.00 O ATOM 528 OD2 ASP A 36 -4.191 5.046 13.574 1.00 0.00 O ATOM 0 H ASP A 36 -6.326 3.934 9.705 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.624 5.815 10.657 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.105 4.140 10.840 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.140 5.779 11.460 1.00 0.00 H new ATOM 533 N ILE A 37 -4.887 6.455 8.052 1.00 0.00 N ATOM 534 CA ILE A 37 -4.399 7.326 6.990 1.00 0.00 C ATOM 535 C ILE A 37 -4.376 8.783 7.441 1.00 0.00 C ATOM 536 O ILE A 37 -5.344 9.279 8.016 1.00 0.00 O ATOM 537 CB ILE A 37 -5.263 7.207 5.721 1.00 0.00 C ATOM 538 CG1 ILE A 37 -5.048 5.845 5.057 1.00 0.00 C ATOM 539 CG2 ILE A 37 -4.939 8.332 4.751 1.00 0.00 C ATOM 540 CD1 ILE A 37 -5.956 5.600 3.873 1.00 0.00 C ATOM 0 H ILE A 37 -5.808 6.053 7.878 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.384 7.003 6.759 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.312 7.290 6.005 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.011 5.769 4.731 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.208 5.060 5.796 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.558 8.233 3.859 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.139 9.292 5.227 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.887 8.278 4.470 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.748 4.616 3.452 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.996 5.644 4.197 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.779 6.363 3.115 1.00 0.00 H new ATOM 552 N GLU A 38 -3.266 9.463 7.173 1.00 0.00 N ATOM 553 CA GLU A 38 -3.118 10.863 7.551 1.00 0.00 C ATOM 554 C GLU A 38 -3.752 11.778 6.507 1.00 0.00 C ATOM 555 O GLU A 38 -3.680 11.530 5.303 1.00 0.00 O ATOM 556 CB GLU A 38 -1.639 11.215 7.724 1.00 0.00 C ATOM 557 CG GLU A 38 -0.988 10.538 8.918 1.00 0.00 C ATOM 558 CD GLU A 38 0.345 11.160 9.286 1.00 0.00 C ATOM 559 OE1 GLU A 38 1.366 10.777 8.678 1.00 0.00 O ATOM 560 OE2 GLU A 38 0.367 12.030 10.182 1.00 0.00 O ATOM 0 H GLU A 38 -2.456 9.067 6.696 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.632 11.013 8.500 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.099 10.935 6.819 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.541 12.295 7.832 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.660 10.595 9.774 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.843 9.481 8.697 1.00 0.00 H new ATOM 567 N PRO A 39 -4.388 12.861 6.977 1.00 0.00 N ATOM 568 CA PRO A 39 -5.046 13.835 6.101 1.00 0.00 C ATOM 569 C PRO A 39 -4.048 14.653 5.290 1.00 0.00 C ATOM 570 O PRO A 39 -2.881 14.773 5.662 1.00 0.00 O ATOM 571 CB PRO A 39 -5.805 14.735 7.079 1.00 0.00 C ATOM 572 CG PRO A 39 -5.054 14.622 8.360 1.00 0.00 C ATOM 573 CD PRO A 39 -4.513 13.219 8.400 1.00 0.00 C ATOM 0 HA PRO A 39 -5.684 13.352 5.361 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.834 15.766 6.727 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.839 14.409 7.196 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -4.247 15.353 8.405 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -5.705 14.814 9.213 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -3.552 13.173 8.912 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.187 12.543 8.927 1.00 0.00 H new ATOM 581 N GLY A 40 -4.514 15.215 4.178 1.00 0.00 N ATOM 582 CA GLY A 40 -3.648 16.015 3.332 1.00 0.00 C ATOM 583 C GLY A 40 -2.265 15.413 3.184 1.00 0.00 C ATOM 584 O GLY A 40 -1.289 16.130 2.964 1.00 0.00 O ATOM 0 H GLY A 40 -5.476 15.130 3.849 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.103 16.119 2.347 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.562 17.018 3.751 1.00 0.00 H new ATOM 588 N SER A 41 -2.179 14.092 3.306 1.00 0.00 N ATOM 589 CA SER A 41 -0.904 13.394 3.190 1.00 0.00 C ATOM 590 C SER A 41 -0.776 12.720 1.827 1.00 0.00 C ATOM 591 O SER A 41 -1.765 12.370 1.184 1.00 0.00 O ATOM 592 CB SER A 41 -0.766 12.353 4.302 1.00 0.00 C ATOM 593 OG SER A 41 -1.412 11.142 3.950 1.00 0.00 O ATOM 0 H SER A 41 -2.978 13.483 3.485 1.00 0.00 H new ATOM 0 HA SER A 41 -0.105 14.129 3.289 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.289 12.162 4.497 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.195 12.743 5.225 1.00 0.00 H new ATOM 0 HG SER A 41 -2.260 11.070 4.437 1.00 0.00 H new ATOM 599 N PRO A 42 0.473 12.534 1.376 1.00 0.00 N ATOM 600 CA PRO A 42 0.762 11.901 0.086 1.00 0.00 C ATOM 601 C PRO A 42 -0.020 10.607 -0.113 1.00 0.00 C ATOM 602 O PRO A 42 -0.301 10.208 -1.243 1.00 0.00 O ATOM 603 CB PRO A 42 2.264 11.612 0.161 1.00 0.00 C ATOM 604 CG PRO A 42 2.796 12.623 1.116 1.00 0.00 C ATOM 605 CD PRO A 42 1.700 12.927 2.090 1.00 0.00 C ATOM 0 HA PRO A 42 0.478 12.537 -0.753 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.455 10.598 0.511 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.735 11.706 -0.818 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.676 12.239 1.633 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.105 13.526 0.589 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.821 12.365 3.016 1.00 0.00 H new ATOM 0 HD3 PRO A 42 1.685 13.983 2.358 1.00 0.00 H new ATOM 613 N ALA A 43 -0.368 9.956 0.992 1.00 0.00 N ATOM 614 CA ALA A 43 -1.120 8.708 0.939 1.00 0.00 C ATOM 615 C ALA A 43 -2.588 8.965 0.619 1.00 0.00 C ATOM 616 O ALA A 43 -3.194 8.249 -0.177 1.00 0.00 O ATOM 617 CB ALA A 43 -0.988 7.956 2.255 1.00 0.00 C ATOM 0 H ALA A 43 -0.141 10.272 1.935 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.703 8.095 0.140 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.554 7.026 2.201 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.062 7.731 2.442 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.377 8.571 3.066 1.00 0.00 H new ATOM 623 N GLU A 44 -3.155 9.992 1.246 1.00 0.00 N ATOM 624 CA GLU A 44 -4.554 10.341 1.029 1.00 0.00 C ATOM 625 C GLU A 44 -4.757 10.928 -0.365 1.00 0.00 C ATOM 626 O GLU A 44 -5.731 10.611 -1.048 1.00 0.00 O ATOM 627 CB GLU A 44 -5.024 11.339 2.088 1.00 0.00 C ATOM 628 CG GLU A 44 -6.376 11.961 1.782 1.00 0.00 C ATOM 629 CD GLU A 44 -6.317 12.948 0.631 1.00 0.00 C ATOM 630 OE1 GLU A 44 -5.476 13.869 0.684 1.00 0.00 O ATOM 631 OE2 GLU A 44 -7.111 12.799 -0.320 1.00 0.00 O ATOM 0 H GLU A 44 -2.667 10.596 1.908 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.147 9.430 1.111 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.076 10.834 3.053 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.282 12.132 2.182 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.089 11.172 1.543 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.748 12.468 2.672 1.00 0.00 H new ATOM 638 N ALA A 45 -3.832 11.787 -0.780 1.00 0.00 N ATOM 639 CA ALA A 45 -3.908 12.418 -2.091 1.00 0.00 C ATOM 640 C ALA A 45 -3.618 11.414 -3.201 1.00 0.00 C ATOM 641 O ALA A 45 -4.032 11.602 -4.345 1.00 0.00 O ATOM 642 CB ALA A 45 -2.940 13.590 -2.171 1.00 0.00 C ATOM 0 H ALA A 45 -3.021 12.062 -0.226 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.923 12.790 -2.229 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.008 14.051 -3.156 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.195 14.325 -1.408 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.923 13.234 -2.007 1.00 0.00 H new ATOM 648 N ALA A 46 -2.903 10.348 -2.857 1.00 0.00 N ATOM 649 CA ALA A 46 -2.559 9.313 -3.824 1.00 0.00 C ATOM 650 C ALA A 46 -3.797 8.540 -4.265 1.00 0.00 C ATOM 651 O ALA A 46 -3.858 8.032 -5.383 1.00 0.00 O ATOM 652 CB ALA A 46 -1.523 8.366 -3.237 1.00 0.00 C ATOM 0 H ALA A 46 -2.550 10.179 -1.915 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.135 9.798 -4.703 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.275 7.598 -3.970 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.624 8.925 -2.979 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.927 7.895 -2.341 1.00 0.00 H new ATOM 658 N GLY A 47 -4.783 8.455 -3.377 1.00 0.00 N ATOM 659 CA GLY A 47 -6.006 7.740 -3.693 1.00 0.00 C ATOM 660 C GLY A 47 -6.207 6.518 -2.819 1.00 0.00 C ATOM 661 O GLY A 47 -7.184 5.785 -2.979 1.00 0.00 O ATOM 0 H GLY A 47 -4.757 8.868 -2.445 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.856 8.411 -3.574 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.985 7.435 -4.739 1.00 0.00 H new ATOM 665 N LEU A 48 -5.280 6.296 -1.894 1.00 0.00 N ATOM 666 CA LEU A 48 -5.358 5.153 -0.992 1.00 0.00 C ATOM 667 C LEU A 48 -6.722 5.087 -0.313 1.00 0.00 C ATOM 668 O LEU A 48 -7.599 5.911 -0.575 1.00 0.00 O ATOM 669 CB LEU A 48 -4.254 5.235 0.064 1.00 0.00 C ATOM 670 CG LEU A 48 -2.923 4.578 -0.305 1.00 0.00 C ATOM 671 CD1 LEU A 48 -1.980 4.576 0.888 1.00 0.00 C ATOM 672 CD2 LEU A 48 -3.149 3.161 -0.810 1.00 0.00 C ATOM 0 H LEU A 48 -4.466 6.893 -1.749 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.222 4.247 -1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.068 6.286 0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.621 4.775 0.982 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.463 5.158 -1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.038 4.105 0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.792 5.602 1.205 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.433 4.020 1.709 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.191 2.709 -1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.631 2.570 -0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.787 3.187 -1.693 1.00 0.00 H new ATOM 684 N LYS A 49 -6.894 4.103 0.564 1.00 0.00 N ATOM 685 CA LYS A 49 -8.150 3.931 1.284 1.00 0.00 C ATOM 686 C LYS A 49 -7.978 2.968 2.454 1.00 0.00 C ATOM 687 O LYS A 49 -7.290 1.954 2.340 1.00 0.00 O ATOM 688 CB LYS A 49 -9.237 3.413 0.339 1.00 0.00 C ATOM 689 CG LYS A 49 -9.801 4.481 -0.582 1.00 0.00 C ATOM 690 CD LYS A 49 -11.249 4.197 -0.945 1.00 0.00 C ATOM 691 CE LYS A 49 -11.805 5.253 -1.888 1.00 0.00 C ATOM 692 NZ LYS A 49 -11.326 5.056 -3.284 1.00 0.00 N ATOM 0 H LYS A 49 -6.179 3.413 0.793 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.451 4.902 1.676 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.826 2.604 -0.265 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.049 2.989 0.930 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.731 5.455 -0.097 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.201 4.533 -1.490 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.322 3.215 -1.413 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.853 4.164 -0.038 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -12.894 5.219 -1.869 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.511 6.243 -1.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.727 5.795 -3.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.288 5.113 -3.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.629 4.122 -3.626 1.00 0.00 H new ATOM 706 N ASN A 50 -8.610 3.291 3.578 1.00 0.00 N ATOM 707 CA ASN A 50 -8.527 2.453 4.769 1.00 0.00 C ATOM 708 C ASN A 50 -8.962 1.024 4.460 1.00 0.00 C ATOM 709 O ASN A 50 -9.761 0.790 3.555 1.00 0.00 O ATOM 710 CB ASN A 50 -9.396 3.032 5.887 1.00 0.00 C ATOM 711 CG ASN A 50 -9.081 4.489 6.169 1.00 0.00 C ATOM 712 OD1 ASN A 50 -9.803 5.387 5.736 1.00 0.00 O ATOM 713 ND2 ASN A 50 -7.998 4.728 6.899 1.00 0.00 N ATOM 0 H ASN A 50 -9.185 4.126 3.689 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.488 2.435 5.098 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.447 2.937 5.613 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.250 2.449 6.796 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.735 5.688 7.122 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.429 3.952 7.237 1.00 0.00 H new ATOM 720 N ASN A 51 -8.429 0.072 5.220 1.00 0.00 N ATOM 721 CA ASN A 51 -8.762 -1.335 5.027 1.00 0.00 C ATOM 722 C ASN A 51 -8.351 -1.806 3.635 1.00 0.00 C ATOM 723 O ASN A 51 -8.994 -2.676 3.048 1.00 0.00 O ATOM 724 CB ASN A 51 -10.262 -1.558 5.231 1.00 0.00 C ATOM 725 CG ASN A 51 -10.652 -1.559 6.697 1.00 0.00 C ATOM 726 OD1 ASN A 51 -10.048 -2.257 7.511 1.00 0.00 O ATOM 727 ND2 ASN A 51 -11.666 -0.773 7.039 1.00 0.00 N ATOM 0 H ASN A 51 -7.766 0.249 5.974 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.211 -1.917 5.765 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.817 -0.777 4.711 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.550 -2.508 4.780 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.973 -0.731 8.011 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -12.138 -0.211 6.330 1.00 0.00 H new ATOM 734 N ASP A 52 -7.276 -1.225 3.114 1.00 0.00 N ATOM 735 CA ASP A 52 -6.778 -1.585 1.791 1.00 0.00 C ATOM 736 C ASP A 52 -5.771 -2.727 1.883 1.00 0.00 C ATOM 737 O ASP A 52 -4.707 -2.584 2.487 1.00 0.00 O ATOM 738 CB ASP A 52 -6.134 -0.373 1.118 1.00 0.00 C ATOM 739 CG ASP A 52 -7.126 0.431 0.301 1.00 0.00 C ATOM 740 OD1 ASP A 52 -8.340 0.157 0.405 1.00 0.00 O ATOM 741 OD2 ASP A 52 -6.688 1.334 -0.442 1.00 0.00 O ATOM 0 H ASP A 52 -6.733 -0.503 3.587 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.624 -1.917 1.189 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.690 0.269 1.879 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.323 -0.708 0.472 1.00 0.00 H new ATOM 746 N LEU A 53 -6.113 -3.861 1.282 1.00 0.00 N ATOM 747 CA LEU A 53 -5.240 -5.029 1.297 1.00 0.00 C ATOM 748 C LEU A 53 -4.257 -4.989 0.130 1.00 0.00 C ATOM 749 O LEU A 53 -4.656 -5.047 -1.033 1.00 0.00 O ATOM 750 CB LEU A 53 -6.070 -6.313 1.235 1.00 0.00 C ATOM 751 CG LEU A 53 -5.292 -7.622 1.367 1.00 0.00 C ATOM 752 CD1 LEU A 53 -5.088 -7.977 2.832 1.00 0.00 C ATOM 753 CD2 LEU A 53 -6.013 -8.747 0.639 1.00 0.00 C ATOM 0 H LEU A 53 -6.989 -3.996 0.778 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.673 -5.015 2.228 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.818 -6.277 2.027 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.609 -6.328 0.288 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.313 -7.488 0.907 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.532 -8.912 2.906 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.528 -7.182 3.324 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.057 -8.092 3.317 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.445 -9.671 0.744 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.006 -8.881 1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.106 -8.496 -0.418 1.00 0.00 H new ATOM 765 N VAL A 54 -2.971 -4.891 0.450 1.00 0.00 N ATOM 766 CA VAL A 54 -1.931 -4.846 -0.571 1.00 0.00 C ATOM 767 C VAL A 54 -1.398 -6.242 -0.874 1.00 0.00 C ATOM 768 O VAL A 54 -0.887 -6.929 0.011 1.00 0.00 O ATOM 769 CB VAL A 54 -0.759 -3.944 -0.140 1.00 0.00 C ATOM 770 CG1 VAL A 54 0.373 -4.018 -1.153 1.00 0.00 C ATOM 771 CG2 VAL A 54 -1.231 -2.509 0.040 1.00 0.00 C ATOM 0 H VAL A 54 -2.624 -4.841 1.408 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.388 -4.431 -1.469 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.381 -4.302 0.818 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.192 -3.374 -0.831 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.728 -5.046 -1.228 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.012 -3.687 -2.127 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.391 -1.885 0.345 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.636 -2.138 -0.902 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.005 -2.474 0.806 1.00 0.00 H new ATOM 781 N VAL A 55 -1.520 -6.657 -2.131 1.00 0.00 N ATOM 782 CA VAL A 55 -1.050 -7.971 -2.552 1.00 0.00 C ATOM 783 C VAL A 55 0.286 -7.869 -3.279 1.00 0.00 C ATOM 784 O VAL A 55 1.089 -8.802 -3.258 1.00 0.00 O ATOM 785 CB VAL A 55 -2.071 -8.665 -3.473 1.00 0.00 C ATOM 786 CG1 VAL A 55 -3.231 -9.221 -2.660 1.00 0.00 C ATOM 787 CG2 VAL A 55 -2.569 -7.700 -4.538 1.00 0.00 C ATOM 0 H VAL A 55 -1.941 -6.101 -2.876 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.925 -8.567 -1.648 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.577 -9.498 -3.973 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.943 -9.708 -3.327 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.855 -9.947 -1.939 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.728 -8.407 -2.131 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.290 -8.207 -5.180 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.047 -6.845 -4.060 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.727 -7.355 -5.139 1.00 0.00 H new ATOM 797 N ALA A 56 0.519 -6.729 -3.922 1.00 0.00 N ATOM 798 CA ALA A 56 1.759 -6.504 -4.654 1.00 0.00 C ATOM 799 C ALA A 56 2.272 -5.084 -4.440 1.00 0.00 C ATOM 800 O ALA A 56 1.494 -4.162 -4.196 1.00 0.00 O ATOM 801 CB ALA A 56 1.553 -6.775 -6.137 1.00 0.00 C ATOM 0 H ALA A 56 -0.135 -5.947 -3.951 1.00 0.00 H new ATOM 0 HA ALA A 56 2.509 -7.195 -4.271 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.487 -6.603 -6.672 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.240 -7.809 -6.278 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.784 -6.107 -6.526 1.00 0.00 H new ATOM 807 N VAL A 57 3.587 -4.914 -4.534 1.00 0.00 N ATOM 808 CA VAL A 57 4.204 -3.606 -4.351 1.00 0.00 C ATOM 809 C VAL A 57 5.313 -3.374 -5.372 1.00 0.00 C ATOM 810 O VAL A 57 6.276 -4.136 -5.440 1.00 0.00 O ATOM 811 CB VAL A 57 4.787 -3.454 -2.933 1.00 0.00 C ATOM 812 CG1 VAL A 57 5.439 -2.090 -2.768 1.00 0.00 C ATOM 813 CG2 VAL A 57 3.703 -3.666 -1.887 1.00 0.00 C ATOM 0 H VAL A 57 4.246 -5.666 -4.736 1.00 0.00 H new ATOM 0 HA VAL A 57 3.420 -2.863 -4.495 1.00 0.00 H new ATOM 0 HB VAL A 57 5.553 -4.216 -2.789 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.845 -2.000 -1.761 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.244 -1.981 -3.495 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.696 -1.309 -2.930 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.132 -3.555 -0.891 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.913 -2.928 -2.026 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.286 -4.667 -1.993 1.00 0.00 H new ATOM 823 N ASN A 58 5.169 -2.316 -6.163 1.00 0.00 N ATOM 824 CA ASN A 58 6.158 -1.983 -7.181 1.00 0.00 C ATOM 825 C ASN A 58 6.282 -3.105 -8.208 1.00 0.00 C ATOM 826 O ASN A 58 7.359 -3.351 -8.748 1.00 0.00 O ATOM 827 CB ASN A 58 7.519 -1.718 -6.533 1.00 0.00 C ATOM 828 CG ASN A 58 7.650 -0.295 -6.026 1.00 0.00 C ATOM 829 OD1 ASN A 58 7.272 0.657 -6.710 1.00 0.00 O ATOM 830 ND2 ASN A 58 8.189 -0.143 -4.822 1.00 0.00 N ATOM 0 H ASN A 58 4.377 -1.675 -6.119 1.00 0.00 H new ATOM 0 HA ASN A 58 5.825 -1.081 -7.693 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.665 -2.411 -5.704 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.308 -1.917 -7.258 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.304 0.791 -4.429 1.00 0.00 H new ATOM 0 HD22 ASN A 58 8.488 -0.960 -4.290 1.00 0.00 H new ATOM 837 N GLY A 59 5.168 -3.783 -8.472 1.00 0.00 N ATOM 838 CA GLY A 59 5.173 -4.870 -9.434 1.00 0.00 C ATOM 839 C GLY A 59 5.841 -6.119 -8.893 1.00 0.00 C ATOM 840 O GLY A 59 6.443 -6.885 -9.646 1.00 0.00 O ATOM 0 H GLY A 59 4.264 -3.599 -8.037 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.147 -5.104 -9.718 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.689 -4.548 -10.339 1.00 0.00 H new ATOM 844 N LYS A 60 5.738 -6.324 -7.584 1.00 0.00 N ATOM 845 CA LYS A 60 6.338 -7.488 -6.942 1.00 0.00 C ATOM 846 C LYS A 60 5.357 -8.140 -5.973 1.00 0.00 C ATOM 847 O LYS A 60 4.435 -7.491 -5.478 1.00 0.00 O ATOM 848 CB LYS A 60 7.614 -7.085 -6.200 1.00 0.00 C ATOM 849 CG LYS A 60 8.715 -6.576 -7.114 1.00 0.00 C ATOM 850 CD LYS A 60 9.357 -7.707 -7.898 1.00 0.00 C ATOM 851 CE LYS A 60 10.504 -8.340 -7.126 1.00 0.00 C ATOM 852 NZ LYS A 60 10.968 -9.606 -7.759 1.00 0.00 N ATOM 0 H LYS A 60 5.244 -5.699 -6.947 1.00 0.00 H new ATOM 0 HA LYS A 60 6.590 -8.211 -7.718 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.372 -6.311 -5.472 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.986 -7.944 -5.641 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.304 -5.841 -7.806 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.475 -6.066 -6.521 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.607 -8.465 -8.125 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.725 -7.327 -8.851 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.335 -7.637 -7.069 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.186 -8.541 -6.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.750 -10.006 -7.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.182 -10.287 -7.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.296 -9.411 -8.726 1.00 0.00 H new ATOM 866 N SER A 61 5.563 -9.425 -5.705 1.00 0.00 N ATOM 867 CA SER A 61 4.695 -10.165 -4.797 1.00 0.00 C ATOM 868 C SER A 61 5.110 -9.941 -3.346 1.00 0.00 C ATOM 869 O SER A 61 6.120 -10.474 -2.887 1.00 0.00 O ATOM 870 CB SER A 61 4.734 -11.659 -5.125 1.00 0.00 C ATOM 871 OG SER A 61 6.020 -12.050 -5.575 1.00 0.00 O ATOM 0 H SER A 61 6.324 -9.975 -6.104 1.00 0.00 H new ATOM 0 HA SER A 61 3.677 -9.798 -4.927 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.464 -12.236 -4.240 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.993 -11.886 -5.891 1.00 0.00 H new ATOM 0 HG SER A 61 6.019 -13.009 -5.776 1.00 0.00 H new ATOM 877 N VAL A 62 4.322 -9.146 -2.628 1.00 0.00 N ATOM 878 CA VAL A 62 4.605 -8.850 -1.229 1.00 0.00 C ATOM 879 C VAL A 62 3.654 -9.603 -0.305 1.00 0.00 C ATOM 880 O VAL A 62 3.911 -9.736 0.891 1.00 0.00 O ATOM 881 CB VAL A 62 4.496 -7.341 -0.941 1.00 0.00 C ATOM 882 CG1 VAL A 62 5.136 -6.536 -2.062 1.00 0.00 C ATOM 883 CG2 VAL A 62 3.041 -6.940 -0.748 1.00 0.00 C ATOM 0 H VAL A 62 3.483 -8.696 -2.993 1.00 0.00 H new ATOM 0 HA VAL A 62 5.627 -9.176 -1.037 1.00 0.00 H new ATOM 0 HB VAL A 62 5.034 -7.124 -0.018 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.049 -5.472 -1.841 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.189 -6.804 -2.147 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.629 -6.754 -3.002 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.982 -5.871 -0.545 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.477 -7.170 -1.652 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.620 -7.492 0.092 1.00 0.00 H new ATOM 893 N GLU A 63 2.555 -10.094 -0.869 1.00 0.00 N ATOM 894 CA GLU A 63 1.565 -10.833 -0.094 1.00 0.00 C ATOM 895 C GLU A 63 2.190 -12.066 0.553 1.00 0.00 C ATOM 896 O GLU A 63 1.608 -12.670 1.453 1.00 0.00 O ATOM 897 CB GLU A 63 0.394 -11.251 -0.987 1.00 0.00 C ATOM 898 CG GLU A 63 0.595 -12.596 -1.664 1.00 0.00 C ATOM 899 CD GLU A 63 1.690 -12.564 -2.713 1.00 0.00 C ATOM 900 OE1 GLU A 63 2.344 -11.510 -2.856 1.00 0.00 O ATOM 901 OE2 GLU A 63 1.893 -13.594 -3.390 1.00 0.00 O ATOM 0 H GLU A 63 2.328 -9.994 -1.858 1.00 0.00 H new ATOM 0 HA GLU A 63 1.196 -10.177 0.695 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.515 -11.288 -0.386 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.240 -10.489 -1.751 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.841 -13.345 -0.911 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.340 -12.907 -2.130 1.00 0.00 H new ATOM 908 N ALA A 64 3.380 -12.432 0.087 1.00 0.00 N ATOM 909 CA ALA A 64 4.085 -13.591 0.620 1.00 0.00 C ATOM 910 C ALA A 64 5.125 -13.172 1.654 1.00 0.00 C ATOM 911 O ALA A 64 5.658 -14.007 2.387 1.00 0.00 O ATOM 912 CB ALA A 64 4.744 -14.372 -0.507 1.00 0.00 C ATOM 0 H ALA A 64 3.876 -11.943 -0.658 1.00 0.00 H new ATOM 0 HA ALA A 64 3.356 -14.233 1.115 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.267 -15.235 -0.094 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.982 -14.711 -1.209 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.456 -13.731 -1.026 1.00 0.00 H new ATOM 918 N LEU A 65 5.410 -11.876 1.709 1.00 0.00 N ATOM 919 CA LEU A 65 6.387 -11.346 2.653 1.00 0.00 C ATOM 920 C LEU A 65 5.717 -10.950 3.965 1.00 0.00 C ATOM 921 O LEU A 65 4.529 -10.630 3.995 1.00 0.00 O ATOM 922 CB LEU A 65 7.107 -10.139 2.049 1.00 0.00 C ATOM 923 CG LEU A 65 8.302 -10.452 1.148 1.00 0.00 C ATOM 924 CD1 LEU A 65 8.741 -9.207 0.393 1.00 0.00 C ATOM 925 CD2 LEU A 65 9.454 -11.016 1.967 1.00 0.00 C ATOM 0 H LEU A 65 4.978 -11.172 1.110 1.00 0.00 H new ATOM 0 HA LEU A 65 7.116 -12.129 2.861 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.384 -9.561 1.473 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.449 -9.500 2.863 1.00 0.00 H new ATOM 0 HG LEU A 65 7.998 -11.205 0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.592 -9.449 -0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.918 -8.846 -0.224 1.00 0.00 H new ATOM 0 HD13 LEU A 65 9.028 -8.432 1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.296 -11.233 1.310 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.758 -10.286 2.717 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.134 -11.933 2.461 1.00 0.00 H new ATOM 937 N ASP A 66 6.488 -10.970 5.047 1.00 0.00 N ATOM 938 CA ASP A 66 5.971 -10.610 6.361 1.00 0.00 C ATOM 939 C ASP A 66 5.901 -9.094 6.521 1.00 0.00 C ATOM 940 O ASP A 66 6.227 -8.347 5.598 1.00 0.00 O ATOM 941 CB ASP A 66 6.847 -11.211 7.461 1.00 0.00 C ATOM 942 CG ASP A 66 8.029 -10.326 7.808 1.00 0.00 C ATOM 943 OD1 ASP A 66 8.825 -10.015 6.898 1.00 0.00 O ATOM 944 OD2 ASP A 66 8.156 -9.944 8.990 1.00 0.00 O ATOM 0 H ASP A 66 7.474 -11.232 5.039 1.00 0.00 H new ATOM 0 HA ASP A 66 4.963 -11.014 6.450 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.244 -11.373 8.354 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.210 -12.187 7.140 1.00 0.00 H new ATOM 949 N HIS A 67 5.473 -8.647 7.697 1.00 0.00 N ATOM 950 CA HIS A 67 5.360 -7.220 7.978 1.00 0.00 C ATOM 951 C HIS A 67 6.615 -6.477 7.530 1.00 0.00 C ATOM 952 O HIS A 67 6.534 -5.467 6.830 1.00 0.00 O ATOM 953 CB HIS A 67 5.122 -6.989 9.470 1.00 0.00 C ATOM 954 CG HIS A 67 5.103 -5.543 9.857 1.00 0.00 C ATOM 955 ND1 HIS A 67 4.091 -4.976 10.603 1.00 0.00 N ATOM 956 CD2 HIS A 67 5.981 -4.545 9.599 1.00 0.00 C ATOM 957 CE1 HIS A 67 4.346 -3.693 10.785 1.00 0.00 C ATOM 958 NE2 HIS A 67 5.488 -3.406 10.186 1.00 0.00 N ATOM 0 H HIS A 67 5.199 -9.252 8.471 1.00 0.00 H new ATOM 0 HA HIS A 67 4.509 -6.831 7.418 1.00 0.00 H new ATOM 0 HB2 HIS A 67 4.173 -7.445 9.753 1.00 0.00 H new ATOM 0 HB3 HIS A 67 5.902 -7.498 10.037 1.00 0.00 H new ATOM 0 HD2 HIS A 67 6.899 -4.629 9.036 1.00 0.00 H new ATOM 0 HE1 HIS A 67 3.726 -2.997 11.331 1.00 0.00 H new ATOM 0 HE2 HIS A 67 5.931 -2.488 10.163 1.00 0.00 H new ATOM 967 N ASP A 68 7.773 -6.983 7.938 1.00 0.00 N ATOM 968 CA ASP A 68 9.046 -6.368 7.578 1.00 0.00 C ATOM 969 C ASP A 68 9.256 -6.397 6.067 1.00 0.00 C ATOM 970 O ASP A 68 9.433 -5.357 5.435 1.00 0.00 O ATOM 971 CB ASP A 68 10.200 -7.085 8.280 1.00 0.00 C ATOM 972 CG ASP A 68 10.027 -7.125 9.785 1.00 0.00 C ATOM 973 OD1 ASP A 68 9.324 -8.032 10.278 1.00 0.00 O ATOM 974 OD2 ASP A 68 10.595 -6.250 10.471 1.00 0.00 O ATOM 0 H ASP A 68 7.857 -7.818 8.518 1.00 0.00 H new ATOM 0 HA ASP A 68 9.024 -5.328 7.903 1.00 0.00 H new ATOM 0 HB2 ASP A 68 10.277 -8.103 7.899 1.00 0.00 H new ATOM 0 HB3 ASP A 68 11.137 -6.583 8.038 1.00 0.00 H new ATOM 979 N GLY A 69 9.234 -7.597 5.495 1.00 0.00 N ATOM 980 CA GLY A 69 9.425 -7.739 4.063 1.00 0.00 C ATOM 981 C GLY A 69 8.695 -6.672 3.272 1.00 0.00 C ATOM 982 O GLY A 69 9.312 -5.907 2.530 1.00 0.00 O ATOM 0 H GLY A 69 9.087 -8.473 5.997 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.490 -7.691 3.835 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.076 -8.723 3.749 1.00 0.00 H new ATOM 986 N VAL A 70 7.376 -6.619 3.429 1.00 0.00 N ATOM 987 CA VAL A 70 6.561 -5.638 2.723 1.00 0.00 C ATOM 988 C VAL A 70 7.008 -4.217 3.047 1.00 0.00 C ATOM 989 O VAL A 70 7.423 -3.468 2.163 1.00 0.00 O ATOM 990 CB VAL A 70 5.069 -5.788 3.077 1.00 0.00 C ATOM 991 CG1 VAL A 70 4.218 -4.885 2.197 1.00 0.00 C ATOM 992 CG2 VAL A 70 4.635 -7.240 2.943 1.00 0.00 C ATOM 0 H VAL A 70 6.849 -7.244 4.039 1.00 0.00 H new ATOM 0 HA VAL A 70 6.694 -5.824 1.657 1.00 0.00 H new ATOM 0 HB VAL A 70 4.926 -5.483 4.114 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.167 -5.005 2.461 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.514 -3.847 2.347 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.362 -5.156 1.151 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.579 -7.329 3.197 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.791 -7.573 1.917 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.224 -7.860 3.619 1.00 0.00 H new ATOM 1002 N VAL A 71 6.920 -3.851 4.322 1.00 0.00 N ATOM 1003 CA VAL A 71 7.317 -2.520 4.765 1.00 0.00 C ATOM 1004 C VAL A 71 8.701 -2.156 4.239 1.00 0.00 C ATOM 1005 O VAL A 71 9.015 -0.981 4.053 1.00 0.00 O ATOM 1006 CB VAL A 71 7.321 -2.417 6.302 1.00 0.00 C ATOM 1007 CG1 VAL A 71 8.106 -1.195 6.754 1.00 0.00 C ATOM 1008 CG2 VAL A 71 5.897 -2.374 6.836 1.00 0.00 C ATOM 0 H VAL A 71 6.577 -4.458 5.066 1.00 0.00 H new ATOM 0 HA VAL A 71 6.583 -1.821 4.364 1.00 0.00 H new ATOM 0 HB VAL A 71 7.810 -3.303 6.707 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.097 -1.139 7.843 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.135 -1.273 6.403 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.649 -0.296 6.341 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.918 -2.301 7.923 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.380 -1.507 6.424 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.371 -3.283 6.543 1.00 0.00 H new ATOM 1018 N GLU A 72 9.524 -3.172 4.001 1.00 0.00 N ATOM 1019 CA GLU A 72 10.875 -2.958 3.496 1.00 0.00 C ATOM 1020 C GLU A 72 10.846 -2.488 2.045 1.00 0.00 C ATOM 1021 O GLU A 72 11.443 -1.468 1.700 1.00 0.00 O ATOM 1022 CB GLU A 72 11.696 -4.245 3.610 1.00 0.00 C ATOM 1023 CG GLU A 72 13.191 -4.030 3.445 1.00 0.00 C ATOM 1024 CD GLU A 72 14.015 -5.048 4.210 1.00 0.00 C ATOM 1025 OE1 GLU A 72 13.856 -5.131 5.446 1.00 0.00 O ATOM 1026 OE2 GLU A 72 14.817 -5.761 3.572 1.00 0.00 O ATOM 0 H GLU A 72 9.279 -4.151 4.150 1.00 0.00 H new ATOM 0 HA GLU A 72 11.343 -2.182 4.102 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.508 -4.701 4.582 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.354 -4.952 2.855 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.447 -4.082 2.387 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.450 -3.028 3.787 1.00 0.00 H new ATOM 1033 N MET A 73 10.147 -3.238 1.200 1.00 0.00 N ATOM 1034 CA MET A 73 10.039 -2.898 -0.214 1.00 0.00 C ATOM 1035 C MET A 73 9.761 -1.409 -0.395 1.00 0.00 C ATOM 1036 O MET A 73 10.385 -0.749 -1.226 1.00 0.00 O ATOM 1037 CB MET A 73 8.931 -3.720 -0.876 1.00 0.00 C ATOM 1038 CG MET A 73 9.266 -5.197 -1.005 1.00 0.00 C ATOM 1039 SD MET A 73 10.369 -5.541 -2.388 1.00 0.00 S ATOM 1040 CE MET A 73 9.304 -6.531 -3.434 1.00 0.00 C ATOM 0 H MET A 73 9.647 -4.085 1.470 1.00 0.00 H new ATOM 0 HA MET A 73 10.990 -3.133 -0.692 1.00 0.00 H new ATOM 0 HB2 MET A 73 8.014 -3.613 -0.296 1.00 0.00 H new ATOM 0 HB3 MET A 73 8.731 -3.313 -1.867 1.00 0.00 H new ATOM 0 HG2 MET A 73 9.730 -5.542 -0.081 1.00 0.00 H new ATOM 0 HG3 MET A 73 8.344 -5.765 -1.131 1.00 0.00 H new ATOM 0 HE1 MET A 73 9.770 -6.658 -4.411 1.00 0.00 H new ATOM 0 HE2 MET A 73 9.150 -7.508 -2.976 1.00 0.00 H new ATOM 0 HE3 MET A 73 8.343 -6.030 -3.553 1.00 0.00 H new ATOM 1050 N ILE A 74 8.822 -0.888 0.386 1.00 0.00 N ATOM 1051 CA ILE A 74 8.462 0.522 0.312 1.00 0.00 C ATOM 1052 C ILE A 74 9.677 1.412 0.552 1.00 0.00 C ATOM 1053 O ILE A 74 9.929 2.353 -0.201 1.00 0.00 O ATOM 1054 CB ILE A 74 7.368 0.879 1.335 1.00 0.00 C ATOM 1055 CG1 ILE A 74 6.049 0.200 0.961 1.00 0.00 C ATOM 1056 CG2 ILE A 74 7.189 2.388 1.414 1.00 0.00 C ATOM 1057 CD1 ILE A 74 5.131 -0.029 2.142 1.00 0.00 C ATOM 0 H ILE A 74 8.296 -1.422 1.078 1.00 0.00 H new ATOM 0 HA ILE A 74 8.078 0.697 -0.693 1.00 0.00 H new ATOM 0 HB ILE A 74 7.676 0.517 2.316 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.531 0.812 0.222 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.264 -0.758 0.487 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.412 2.625 2.141 1.00 0.00 H new ATOM 0 HG22 ILE A 74 8.127 2.850 1.722 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.899 2.772 0.436 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.216 -0.514 1.803 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.630 -0.666 2.872 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.886 0.928 2.603 1.00 0.00 H new ATOM 1069 N ARG A 75 10.427 1.108 1.606 1.00 0.00 N ATOM 1070 CA ARG A 75 11.616 1.880 1.946 1.00 0.00 C ATOM 1071 C ARG A 75 12.632 1.842 0.808 1.00 0.00 C ATOM 1072 O ARG A 75 13.247 2.856 0.475 1.00 0.00 O ATOM 1073 CB ARG A 75 12.251 1.341 3.229 1.00 0.00 C ATOM 1074 CG ARG A 75 11.588 1.852 4.498 1.00 0.00 C ATOM 1075 CD ARG A 75 12.223 1.248 5.740 1.00 0.00 C ATOM 1076 NE ARG A 75 13.463 1.928 6.107 1.00 0.00 N ATOM 1077 CZ ARG A 75 13.502 3.072 6.780 1.00 0.00 C ATOM 1078 NH1 ARG A 75 12.377 3.661 7.159 1.00 0.00 N ATOM 1079 NH2 ARG A 75 14.670 3.629 7.076 1.00 0.00 N ATOM 0 H ARG A 75 10.232 0.332 2.239 1.00 0.00 H new ATOM 0 HA ARG A 75 11.313 2.915 2.106 1.00 0.00 H new ATOM 0 HB2 ARG A 75 12.204 0.252 3.218 1.00 0.00 H new ATOM 0 HB3 ARG A 75 13.306 1.614 3.245 1.00 0.00 H new ATOM 0 HG2 ARG A 75 11.667 2.938 4.539 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.525 1.610 4.477 1.00 0.00 H new ATOM 0 HD2 ARG A 75 11.519 1.304 6.571 1.00 0.00 H new ATOM 0 HD3 ARG A 75 12.427 0.192 5.566 1.00 0.00 H new ATOM 0 HE ARG A 75 14.347 1.501 5.831 1.00 0.00 H new ATOM 0 HH11 ARG A 75 11.478 3.236 6.934 1.00 0.00 H new ATOM 0 HH12 ARG A 75 12.410 4.540 7.676 1.00 0.00 H new ATOM 0 HH21 ARG A 75 15.538 3.178 6.786 1.00 0.00 H new ATOM 0 HH22 ARG A 75 14.700 4.508 7.593 1.00 0.00 H new ATOM 1093 N LYS A 76 12.805 0.666 0.215 1.00 0.00 N ATOM 1094 CA LYS A 76 13.746 0.494 -0.886 1.00 0.00 C ATOM 1095 C LYS A 76 13.341 1.344 -2.085 1.00 0.00 C ATOM 1096 O LYS A 76 14.167 1.664 -2.939 1.00 0.00 O ATOM 1097 CB LYS A 76 13.821 -0.979 -1.294 1.00 0.00 C ATOM 1098 CG LYS A 76 14.502 -1.862 -0.262 1.00 0.00 C ATOM 1099 CD LYS A 76 14.098 -3.318 -0.420 1.00 0.00 C ATOM 1100 CE LYS A 76 14.796 -3.965 -1.607 1.00 0.00 C ATOM 1101 NZ LYS A 76 16.254 -4.145 -1.362 1.00 0.00 N ATOM 0 H LYS A 76 12.305 -0.183 0.479 1.00 0.00 H new ATOM 0 HA LYS A 76 14.729 0.821 -0.546 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.811 -1.351 -1.469 1.00 0.00 H new ATOM 0 HB3 LYS A 76 14.358 -1.059 -2.239 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.584 -1.771 -0.361 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.243 -1.518 0.740 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.343 -3.865 0.490 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.018 -3.385 -0.551 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.340 -4.933 -1.813 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.650 -3.349 -2.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.642 -4.817 -2.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 16.738 -3.230 -1.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 16.402 -4.514 -0.401 1.00 0.00 H new ATOM 1115 N GLY A 77 12.063 1.709 -2.142 1.00 0.00 N ATOM 1116 CA GLY A 77 11.572 2.521 -3.240 1.00 0.00 C ATOM 1117 C GLY A 77 12.296 3.848 -3.350 1.00 0.00 C ATOM 1118 O GLY A 77 12.296 4.478 -4.406 1.00 0.00 O ATOM 0 H GLY A 77 11.360 1.457 -1.448 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.686 1.970 -4.174 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.506 2.703 -3.105 1.00 0.00 H new ATOM 1122 N GLY A 78 12.914 4.275 -2.253 1.00 0.00 N ATOM 1123 CA GLY A 78 13.635 5.535 -2.251 1.00 0.00 C ATOM 1124 C GLY A 78 12.759 6.704 -1.845 1.00 0.00 C ATOM 1125 O GLY A 78 12.705 7.070 -0.671 1.00 0.00 O ATOM 0 H GLY A 78 12.928 3.771 -1.366 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.481 5.465 -1.568 1.00 0.00 H new ATOM 0 HA3 GLY A 78 14.042 5.718 -3.245 1.00 0.00 H new ATOM 1129 N ASP A 79 12.072 7.292 -2.818 1.00 0.00 N ATOM 1130 CA ASP A 79 11.194 8.426 -2.556 1.00 0.00 C ATOM 1131 C ASP A 79 9.735 8.052 -2.798 1.00 0.00 C ATOM 1132 O ASP A 79 8.904 8.146 -1.895 1.00 0.00 O ATOM 1133 CB ASP A 79 11.582 9.613 -3.440 1.00 0.00 C ATOM 1134 CG ASP A 79 12.935 10.190 -3.074 1.00 0.00 C ATOM 1135 OD1 ASP A 79 13.960 9.612 -3.493 1.00 0.00 O ATOM 1136 OD2 ASP A 79 12.970 11.219 -2.367 1.00 0.00 O ATOM 0 H ASP A 79 12.106 7.002 -3.795 1.00 0.00 H new ATOM 0 HA ASP A 79 11.309 8.708 -1.509 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.595 9.296 -4.483 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.823 10.391 -3.353 1.00 0.00 H new ATOM 1141 N GLN A 80 9.433 7.629 -4.021 1.00 0.00 N ATOM 1142 CA GLN A 80 8.073 7.242 -4.380 1.00 0.00 C ATOM 1143 C GLN A 80 7.963 5.730 -4.546 1.00 0.00 C ATOM 1144 O GLN A 80 8.968 5.038 -4.716 1.00 0.00 O ATOM 1145 CB GLN A 80 7.647 7.941 -5.672 1.00 0.00 C ATOM 1146 CG GLN A 80 8.350 7.412 -6.911 1.00 0.00 C ATOM 1147 CD GLN A 80 7.547 7.635 -8.178 1.00 0.00 C ATOM 1148 OE1 GLN A 80 6.882 6.725 -8.673 1.00 0.00 O ATOM 1149 NE2 GLN A 80 7.606 8.850 -8.710 1.00 0.00 N ATOM 0 H GLN A 80 10.110 7.545 -4.779 1.00 0.00 H new ATOM 0 HA GLN A 80 7.409 7.549 -3.572 1.00 0.00 H new ATOM 0 HB2 GLN A 80 6.570 7.827 -5.799 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.846 9.009 -5.580 1.00 0.00 H new ATOM 0 HG2 GLN A 80 9.320 7.899 -7.010 1.00 0.00 H new ATOM 0 HG3 GLN A 80 8.540 6.346 -6.789 1.00 0.00 H new ATOM 0 HE21 GLN A 80 8.170 9.574 -8.266 1.00 0.00 H new ATOM 0 HE22 GLN A 80 7.087 9.059 -9.563 1.00 0.00 H new ATOM 1158 N THR A 81 6.736 5.222 -4.495 1.00 0.00 N ATOM 1159 CA THR A 81 6.494 3.792 -4.638 1.00 0.00 C ATOM 1160 C THR A 81 5.069 3.519 -5.105 1.00 0.00 C ATOM 1161 O THR A 81 4.173 4.342 -4.914 1.00 0.00 O ATOM 1162 CB THR A 81 6.740 3.046 -3.313 1.00 0.00 C ATOM 1163 OG1 THR A 81 6.428 1.657 -3.468 1.00 0.00 O ATOM 1164 CG2 THR A 81 5.897 3.638 -2.194 1.00 0.00 C ATOM 0 H THR A 81 5.894 5.780 -4.356 1.00 0.00 H new ATOM 0 HA THR A 81 7.195 3.426 -5.388 1.00 0.00 H new ATOM 0 HB THR A 81 7.792 3.155 -3.050 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.589 1.189 -2.622 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.088 3.095 -1.268 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.157 4.688 -2.059 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.841 3.556 -2.452 1.00 0.00 H new ATOM 1172 N THR A 82 4.864 2.357 -5.718 1.00 0.00 N ATOM 1173 CA THR A 82 3.547 1.976 -6.213 1.00 0.00 C ATOM 1174 C THR A 82 2.929 0.885 -5.346 1.00 0.00 C ATOM 1175 O THR A 82 3.604 -0.070 -4.958 1.00 0.00 O ATOM 1176 CB THR A 82 3.616 1.481 -7.670 1.00 0.00 C ATOM 1177 OG1 THR A 82 4.549 2.274 -8.413 1.00 0.00 O ATOM 1178 CG2 THR A 82 2.247 1.548 -8.330 1.00 0.00 C ATOM 0 H THR A 82 5.594 1.664 -5.883 1.00 0.00 H new ATOM 0 HA THR A 82 2.922 2.868 -6.170 1.00 0.00 H new ATOM 0 HB THR A 82 3.947 0.443 -7.662 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.588 1.952 -9.338 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.321 1.193 -9.358 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.546 0.920 -7.779 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.891 2.578 -8.326 1.00 0.00 H new ATOM 1186 N LEU A 83 1.643 1.031 -5.047 1.00 0.00 N ATOM 1187 CA LEU A 83 0.933 0.056 -4.226 1.00 0.00 C ATOM 1188 C LEU A 83 -0.228 -0.563 -4.998 1.00 0.00 C ATOM 1189 O LEU A 83 -0.951 0.130 -5.715 1.00 0.00 O ATOM 1190 CB LEU A 83 0.416 0.717 -2.947 1.00 0.00 C ATOM 1191 CG LEU A 83 1.255 1.874 -2.403 1.00 0.00 C ATOM 1192 CD1 LEU A 83 0.807 2.243 -0.997 1.00 0.00 C ATOM 1193 CD2 LEU A 83 2.733 1.513 -2.416 1.00 0.00 C ATOM 0 H LEU A 83 1.071 1.815 -5.361 1.00 0.00 H new ATOM 0 HA LEU A 83 1.632 -0.737 -3.960 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.594 1.083 -3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.340 -0.046 -2.172 1.00 0.00 H new ATOM 0 HG LEU A 83 1.107 2.740 -3.048 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.415 3.068 -0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.240 2.544 -1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.925 1.381 -0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.315 2.348 -2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.898 0.633 -1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.046 1.299 -3.438 1.00 0.00 H new ATOM 1205 N LEU A 84 -0.403 -1.871 -4.845 1.00 0.00 N ATOM 1206 CA LEU A 84 -1.478 -2.584 -5.525 1.00 0.00 C ATOM 1207 C LEU A 84 -2.470 -3.162 -4.521 1.00 0.00 C ATOM 1208 O LEU A 84 -2.231 -4.217 -3.933 1.00 0.00 O ATOM 1209 CB LEU A 84 -0.904 -3.704 -6.394 1.00 0.00 C ATOM 1210 CG LEU A 84 -1.899 -4.424 -7.305 1.00 0.00 C ATOM 1211 CD1 LEU A 84 -2.648 -3.424 -8.172 1.00 0.00 C ATOM 1212 CD2 LEU A 84 -1.183 -5.451 -8.170 1.00 0.00 C ATOM 0 H LEU A 84 0.186 -2.459 -4.256 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.006 -1.873 -6.161 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.111 -3.285 -7.014 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.441 -4.443 -5.740 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.623 -4.946 -6.680 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.352 -3.954 -8.814 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.192 -2.726 -7.535 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.938 -2.874 -8.789 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.906 -5.954 -8.812 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.437 -4.950 -8.787 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.692 -6.186 -7.532 1.00 0.00 H new ATOM 1224 N VAL A 85 -3.585 -2.464 -4.329 1.00 0.00 N ATOM 1225 CA VAL A 85 -4.615 -2.909 -3.398 1.00 0.00 C ATOM 1226 C VAL A 85 -5.843 -3.422 -4.141 1.00 0.00 C ATOM 1227 O VAL A 85 -6.150 -2.968 -5.244 1.00 0.00 O ATOM 1228 CB VAL A 85 -5.041 -1.774 -2.448 1.00 0.00 C ATOM 1229 CG1 VAL A 85 -3.824 -1.011 -1.948 1.00 0.00 C ATOM 1230 CG2 VAL A 85 -6.019 -0.838 -3.142 1.00 0.00 C ATOM 0 H VAL A 85 -3.798 -1.588 -4.806 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.183 -3.720 -2.812 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.543 -2.214 -1.586 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.145 -0.213 -1.278 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.163 -1.692 -1.411 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.291 -0.581 -2.796 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.310 -0.042 -2.456 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.545 -0.404 -4.022 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.904 -1.397 -3.445 1.00 0.00 H new ATOM 1240 N LEU A 86 -6.543 -4.372 -3.531 1.00 0.00 N ATOM 1241 CA LEU A 86 -7.739 -4.948 -4.134 1.00 0.00 C ATOM 1242 C LEU A 86 -8.999 -4.416 -3.460 1.00 0.00 C ATOM 1243 O LEU A 86 -8.942 -3.869 -2.359 1.00 0.00 O ATOM 1244 CB LEU A 86 -7.700 -6.474 -4.035 1.00 0.00 C ATOM 1245 CG LEU A 86 -7.075 -7.209 -5.221 1.00 0.00 C ATOM 1246 CD1 LEU A 86 -6.656 -8.614 -4.819 1.00 0.00 C ATOM 1247 CD2 LEU A 86 -8.045 -7.253 -6.393 1.00 0.00 C ATOM 0 H LEU A 86 -6.303 -4.760 -2.619 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.761 -4.658 -5.185 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.149 -6.745 -3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.720 -6.836 -3.906 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.185 -6.663 -5.533 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.213 -9.121 -5.676 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.925 -8.559 -4.013 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.529 -9.171 -4.479 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.583 -7.780 -7.228 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -8.954 -7.774 -6.093 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.293 -6.236 -6.698 1.00 0.00 H new ATOM 1259 N ASP A 87 -10.136 -4.581 -4.128 1.00 0.00 N ATOM 1260 CA ASP A 87 -11.412 -4.120 -3.592 1.00 0.00 C ATOM 1261 C ASP A 87 -12.219 -5.287 -3.031 1.00 0.00 C ATOM 1262 O ASP A 87 -12.535 -5.322 -1.842 1.00 0.00 O ATOM 1263 CB ASP A 87 -12.215 -3.402 -4.678 1.00 0.00 C ATOM 1264 CG ASP A 87 -13.367 -2.597 -4.108 1.00 0.00 C ATOM 1265 OD1 ASP A 87 -13.142 -1.844 -3.137 1.00 0.00 O ATOM 1266 OD2 ASP A 87 -14.492 -2.719 -4.634 1.00 0.00 O ATOM 0 H ASP A 87 -10.200 -5.030 -5.041 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.207 -3.421 -2.781 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -11.554 -2.740 -5.237 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.603 -4.136 -5.385 1.00 0.00 H new ATOM 1271 N LYS A 88 -12.551 -6.239 -3.896 1.00 0.00 N ATOM 1272 CA LYS A 88 -13.321 -7.408 -3.488 1.00 0.00 C ATOM 1273 C LYS A 88 -12.631 -8.143 -2.344 1.00 0.00 C ATOM 1274 O LYS A 88 -13.274 -8.545 -1.375 1.00 0.00 O ATOM 1275 CB LYS A 88 -13.515 -8.356 -4.674 1.00 0.00 C ATOM 1276 CG LYS A 88 -14.739 -8.037 -5.515 1.00 0.00 C ATOM 1277 CD LYS A 88 -14.529 -6.788 -6.355 1.00 0.00 C ATOM 1278 CE LYS A 88 -13.860 -7.115 -7.681 1.00 0.00 C ATOM 1279 NZ LYS A 88 -14.818 -7.711 -8.653 1.00 0.00 N ATOM 0 H LYS A 88 -12.299 -6.224 -4.884 1.00 0.00 H new ATOM 0 HA LYS A 88 -14.296 -7.066 -3.140 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -12.629 -8.317 -5.308 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -13.596 -9.377 -4.302 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -14.964 -8.881 -6.167 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -15.602 -7.898 -4.864 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -15.489 -6.307 -6.540 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -13.916 -6.076 -5.803 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -13.430 -6.207 -8.105 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -13.036 -7.808 -7.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -14.307 -8.345 -9.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -15.543 -8.251 -8.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -15.274 -6.953 -9.200 1.00 0.00 H new ATOM 1293 N GLU A 89 -11.318 -8.314 -2.463 1.00 0.00 N ATOM 1294 CA GLU A 89 -10.541 -9.000 -1.437 1.00 0.00 C ATOM 1295 C GLU A 89 -10.007 -8.010 -0.406 1.00 0.00 C ATOM 1296 O GLU A 89 -8.951 -8.226 0.188 1.00 0.00 O ATOM 1297 CB GLU A 89 -9.380 -9.768 -2.072 1.00 0.00 C ATOM 1298 CG GLU A 89 -9.821 -10.796 -3.100 1.00 0.00 C ATOM 1299 CD GLU A 89 -8.780 -11.874 -3.330 1.00 0.00 C ATOM 1300 OE1 GLU A 89 -7.606 -11.524 -3.574 1.00 0.00 O ATOM 1301 OE2 GLU A 89 -9.139 -13.069 -3.266 1.00 0.00 O ATOM 0 H GLU A 89 -10.770 -7.987 -3.259 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.200 -9.706 -0.931 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.703 -9.058 -2.547 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.815 -10.271 -1.287 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.751 -11.259 -2.770 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.033 -10.293 -4.044 1.00 0.00 H new ATOM 1308 N ALA A 90 -10.744 -6.924 -0.199 1.00 0.00 N ATOM 1309 CA ALA A 90 -10.346 -5.901 0.760 1.00 0.00 C ATOM 1310 C ALA A 90 -11.024 -6.120 2.109 1.00 0.00 C ATOM 1311 O ALA A 90 -10.367 -6.126 3.149 1.00 0.00 O ATOM 1312 CB ALA A 90 -10.674 -4.516 0.222 1.00 0.00 C ATOM 0 H ALA A 90 -11.621 -6.730 -0.683 1.00 0.00 H new ATOM 0 HA ALA A 90 -9.269 -5.976 0.907 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.371 -3.762 0.949 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.139 -4.353 -0.714 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.747 -4.439 0.045 1.00 0.00 H new ATOM 1318 N GLU A 91 -12.341 -6.299 2.082 1.00 0.00 N ATOM 1319 CA GLU A 91 -13.106 -6.517 3.304 1.00 0.00 C ATOM 1320 C GLU A 91 -13.411 -7.999 3.498 1.00 0.00 C ATOM 1321 O GLU A 91 -14.096 -8.615 2.682 1.00 0.00 O ATOM 1322 CB GLU A 91 -14.410 -5.718 3.265 1.00 0.00 C ATOM 1323 CG GLU A 91 -15.368 -6.061 4.393 1.00 0.00 C ATOM 1324 CD GLU A 91 -15.002 -5.379 5.697 1.00 0.00 C ATOM 1325 OE1 GLU A 91 -14.851 -4.140 5.696 1.00 0.00 O ATOM 1326 OE2 GLU A 91 -14.866 -6.085 6.718 1.00 0.00 O ATOM 0 H GLU A 91 -12.900 -6.297 1.229 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.503 -6.175 4.145 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -14.176 -4.654 3.309 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.907 -5.896 2.311 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -16.379 -5.771 4.107 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -15.376 -7.141 4.542 1.00 0.00 H new ATOM 1333 N SER A 92 -12.896 -8.566 4.585 1.00 0.00 N ATOM 1334 CA SER A 92 -13.109 -9.977 4.885 1.00 0.00 C ATOM 1335 C SER A 92 -14.100 -10.145 6.033 1.00 0.00 C ATOM 1336 O SER A 92 -13.741 -10.006 7.202 1.00 0.00 O ATOM 1337 CB SER A 92 -11.782 -10.651 5.238 1.00 0.00 C ATOM 1338 OG SER A 92 -11.870 -12.058 5.096 1.00 0.00 O ATOM 0 H SER A 92 -12.329 -8.070 5.272 1.00 0.00 H new ATOM 0 HA SER A 92 -13.525 -10.453 3.997 1.00 0.00 H new ATOM 0 HB2 SER A 92 -10.992 -10.266 4.593 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.506 -10.403 6.263 1.00 0.00 H new ATOM 0 HG SER A 92 -11.008 -12.465 5.326 1.00 0.00 H new ATOM 1344 N ILE A 93 -15.348 -10.445 5.689 1.00 0.00 N ATOM 1345 CA ILE A 93 -16.391 -10.633 6.690 1.00 0.00 C ATOM 1346 C ILE A 93 -16.325 -12.031 7.297 1.00 0.00 C ATOM 1347 O ILE A 93 -16.076 -13.012 6.596 1.00 0.00 O ATOM 1348 CB ILE A 93 -17.792 -10.411 6.092 1.00 0.00 C ATOM 1349 CG1 ILE A 93 -17.889 -9.017 5.468 1.00 0.00 C ATOM 1350 CG2 ILE A 93 -18.860 -10.595 7.160 1.00 0.00 C ATOM 1351 CD1 ILE A 93 -17.485 -7.905 6.410 1.00 0.00 C ATOM 0 H ILE A 93 -15.661 -10.563 4.726 1.00 0.00 H new ATOM 0 HA ILE A 93 -16.217 -9.892 7.470 1.00 0.00 H new ATOM 0 HB ILE A 93 -17.958 -11.151 5.309 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -17.256 -8.980 4.582 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -18.913 -8.847 5.136 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -19.845 -10.435 6.721 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -18.802 -11.607 7.562 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -18.699 -9.876 7.963 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -17.578 -6.945 5.901 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -18.134 -7.916 7.286 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -16.451 -8.051 6.723 1.00 0.00 H new ATOM 1363 N TYR A 94 -16.551 -12.114 8.603 1.00 0.00 N ATOM 1364 CA TYR A 94 -16.516 -13.392 9.305 1.00 0.00 C ATOM 1365 C TYR A 94 -17.901 -14.030 9.342 1.00 0.00 C ATOM 1366 O TYR A 94 -18.809 -13.533 10.008 1.00 0.00 O ATOM 1367 CB TYR A 94 -15.993 -13.201 10.730 1.00 0.00 C ATOM 1368 CG TYR A 94 -14.721 -12.387 10.803 1.00 0.00 C ATOM 1369 CD1 TYR A 94 -14.764 -11.000 10.885 1.00 0.00 C ATOM 1370 CD2 TYR A 94 -13.476 -13.004 10.790 1.00 0.00 C ATOM 1371 CE1 TYR A 94 -13.604 -10.252 10.952 1.00 0.00 C ATOM 1372 CE2 TYR A 94 -12.311 -12.264 10.858 1.00 0.00 C ATOM 1373 CZ TYR A 94 -12.381 -10.889 10.938 1.00 0.00 C ATOM 1374 OH TYR A 94 -11.223 -10.148 11.005 1.00 0.00 O ATOM 0 H TYR A 94 -16.760 -11.312 9.197 1.00 0.00 H new ATOM 0 HA TYR A 94 -15.843 -14.057 8.764 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -16.762 -12.712 11.328 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -15.815 -14.179 11.177 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -15.720 -10.498 10.897 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -13.418 -14.081 10.726 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -13.655 -9.175 11.015 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -11.351 -12.759 10.849 1.00 0.00 H new ATOM 0 HH TYR A 94 -10.449 -10.749 10.986 1.00 0.00 H new ATOM 1384 N SER A 95 -18.055 -15.136 8.620 1.00 0.00 N ATOM 1385 CA SER A 95 -19.330 -15.842 8.566 1.00 0.00 C ATOM 1386 C SER A 95 -19.200 -17.242 9.160 1.00 0.00 C ATOM 1387 O SER A 95 -18.713 -18.164 8.505 1.00 0.00 O ATOM 1388 CB SER A 95 -19.827 -15.932 7.122 1.00 0.00 C ATOM 1389 OG SER A 95 -21.180 -16.350 7.074 1.00 0.00 O ATOM 0 H SER A 95 -17.313 -15.562 8.065 1.00 0.00 H new ATOM 0 HA SER A 95 -20.054 -15.281 9.157 1.00 0.00 H new ATOM 0 HB2 SER A 95 -19.726 -14.961 6.638 1.00 0.00 H new ATOM 0 HB3 SER A 95 -19.206 -16.633 6.563 1.00 0.00 H new ATOM 0 HG SER A 95 -21.475 -16.398 6.141 1.00 0.00 H new ATOM 1395 N LEU A 96 -19.641 -17.393 10.404 1.00 0.00 N ATOM 1396 CA LEU A 96 -19.575 -18.680 11.088 1.00 0.00 C ATOM 1397 C LEU A 96 -20.953 -19.332 11.155 1.00 0.00 C ATOM 1398 O LEU A 96 -21.838 -18.862 11.869 1.00 0.00 O ATOM 1399 CB LEU A 96 -19.013 -18.502 12.499 1.00 0.00 C ATOM 1400 CG LEU A 96 -18.943 -19.765 13.358 1.00 0.00 C ATOM 1401 CD1 LEU A 96 -17.743 -20.612 12.966 1.00 0.00 C ATOM 1402 CD2 LEU A 96 -18.882 -19.402 14.835 1.00 0.00 C ATOM 0 H LEU A 96 -20.048 -16.641 10.960 1.00 0.00 H new ATOM 0 HA LEU A 96 -18.912 -19.332 10.520 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -18.009 -18.085 12.419 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -19.623 -17.765 13.021 1.00 0.00 H new ATOM 0 HG LEU A 96 -19.846 -20.350 13.184 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -17.710 -21.506 13.588 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -17.829 -20.902 11.919 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -16.829 -20.036 13.110 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -18.833 -20.313 15.432 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -17.996 -18.796 15.024 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -19.773 -18.837 15.108 1.00 0.00 H new ATOM 1414 N SER A 97 -21.125 -20.418 10.409 1.00 0.00 N ATOM 1415 CA SER A 97 -22.395 -21.134 10.383 1.00 0.00 C ATOM 1416 C SER A 97 -22.219 -22.571 10.865 1.00 0.00 C ATOM 1417 O SER A 97 -21.100 -23.027 11.097 1.00 0.00 O ATOM 1418 CB SER A 97 -22.980 -21.126 8.969 1.00 0.00 C ATOM 1419 OG SER A 97 -22.032 -21.588 8.022 1.00 0.00 O ATOM 0 H SER A 97 -20.401 -20.822 9.814 1.00 0.00 H new ATOM 0 HA SER A 97 -23.084 -20.625 11.057 1.00 0.00 H new ATOM 0 HB2 SER A 97 -23.868 -21.757 8.936 1.00 0.00 H new ATOM 0 HB3 SER A 97 -23.296 -20.116 8.709 1.00 0.00 H new ATOM 0 HG SER A 97 -22.431 -21.575 7.127 1.00 0.00 H new ATOM 1425 N GLY A 98 -23.334 -23.279 11.014 1.00 0.00 N ATOM 1426 CA GLY A 98 -23.283 -24.657 11.468 1.00 0.00 C ATOM 1427 C GLY A 98 -23.372 -24.774 12.976 1.00 0.00 C ATOM 1428 O GLY A 98 -22.363 -24.903 13.671 1.00 0.00 O ATOM 0 H GLY A 98 -24.272 -22.923 10.829 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -24.101 -25.216 11.014 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -22.355 -25.115 11.125 1.00 0.00 H new ATOM 1432 N PRO A 99 -24.603 -24.726 13.506 1.00 0.00 N ATOM 1433 CA PRO A 99 -24.849 -24.825 14.948 1.00 0.00 C ATOM 1434 C PRO A 99 -24.563 -26.221 15.490 1.00 0.00 C ATOM 1435 O PRO A 99 -24.119 -27.104 14.756 1.00 0.00 O ATOM 1436 CB PRO A 99 -26.338 -24.495 15.077 1.00 0.00 C ATOM 1437 CG PRO A 99 -26.922 -24.855 13.754 1.00 0.00 C ATOM 1438 CD PRO A 99 -25.850 -24.573 12.738 1.00 0.00 C ATOM 0 HA PRO A 99 -24.200 -24.161 15.519 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -26.801 -25.065 15.882 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -26.491 -23.440 15.304 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -27.216 -25.904 13.730 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -27.817 -24.268 13.550 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -25.895 -25.271 11.902 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -25.945 -23.570 12.322 1.00 0.00 H new ATOM 1446 N SER A 100 -24.821 -26.414 16.780 1.00 0.00 N ATOM 1447 CA SER A 100 -24.588 -27.702 17.422 1.00 0.00 C ATOM 1448 C SER A 100 -25.006 -28.849 16.506 1.00 0.00 C ATOM 1449 O SER A 100 -26.113 -28.856 15.968 1.00 0.00 O ATOM 1450 CB SER A 100 -25.355 -27.784 18.743 1.00 0.00 C ATOM 1451 OG SER A 100 -26.752 -27.671 18.529 1.00 0.00 O ATOM 0 H SER A 100 -25.191 -25.694 17.401 1.00 0.00 H new ATOM 0 HA SER A 100 -23.521 -27.791 17.624 1.00 0.00 H new ATOM 0 HB2 SER A 100 -25.135 -28.730 19.237 1.00 0.00 H new ATOM 0 HB3 SER A 100 -25.021 -26.990 19.411 1.00 0.00 H new ATOM 0 HG SER A 100 -26.965 -27.941 17.611 1.00 0.00 H new ATOM 1457 N SER A 101 -24.111 -29.816 16.333 1.00 0.00 N ATOM 1458 CA SER A 101 -24.384 -30.966 15.479 1.00 0.00 C ATOM 1459 C SER A 101 -23.801 -32.241 16.082 1.00 0.00 C ATOM 1460 O SER A 101 -23.092 -32.198 17.087 1.00 0.00 O ATOM 1461 CB SER A 101 -23.806 -30.739 14.081 1.00 0.00 C ATOM 1462 OG SER A 101 -24.353 -31.655 13.148 1.00 0.00 O ATOM 0 H SER A 101 -23.191 -29.826 16.773 1.00 0.00 H new ATOM 0 HA SER A 101 -25.465 -31.082 15.403 1.00 0.00 H new ATOM 0 HB2 SER A 101 -24.015 -29.719 13.759 1.00 0.00 H new ATOM 0 HB3 SER A 101 -22.722 -30.848 14.110 1.00 0.00 H new ATOM 0 HG SER A 101 -23.969 -31.488 12.262 1.00 0.00 H new ATOM 1468 N GLY A 102 -24.106 -33.376 15.460 1.00 0.00 N ATOM 1469 CA GLY A 102 -23.605 -34.647 15.948 1.00 0.00 C ATOM 1470 C GLY A 102 -24.632 -35.396 16.775 1.00 0.00 C ATOM 1471 O GLY A 102 -24.326 -35.885 17.862 1.00 0.00 O ATOM 0 H GLY A 102 -24.691 -33.438 14.627 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -23.304 -35.265 15.102 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -22.713 -34.475 16.550 1.00 0.00 H new TER 1475 GLY A 102