USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 617 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 31 MET CE :methyl -175:sc= -3.09 (180deg=-3.31) USER MOD Set 1.2: A 53 MET CE :methyl -118:sc= -0.0689 (180deg=0) USER MOD Set 2.1: A 21 MET CE :methyl -137:sc= -2.29 (180deg=-0.0989) USER MOD Set 2.2: A 47 MET CE :methyl 155:sc= -3.78 (180deg=-3.71!) USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.078 (180deg=0) USER MOD Single : A 2 SER OG : rot 33:sc= 0.523 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 26:sc= 0.072 USER MOD Single : A 6 SER OG : rot 180:sc= -0.068 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.626) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 148:sc= -1.14 (180deg=-2.75!) USER MOD Single : A 27 GLN : amide:sc= -3.32! K(o=-3.3!,f=-1.5) USER MOD Single : A 29 THR OG1 : rot -19:sc= -0.465 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -5.23! C(o=-5.2!,f=-7.8!) USER MOD Single : A 46 ASN : amide:sc= -1.24 K(o=-1.2,f=0.48) USER MOD Single : A 48 ASN : amide:sc= -0.74 K(o=-0.74,f=0.87) USER MOD Single : A 51 GLN : amide:sc= -0.0201 K(o=-0.02,f=-0.76) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.571) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.013 USER MOD Single : A 73 HIS : no HD1:sc= -0.028 X(o=-0.028,f=-0.22) USER MOD Single : A 74 ASN : amide:sc= -0.249 K(o=-0.25,f=-1.9!) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -169:sc= 0.0929 (180deg=0.0652) USER MOD Single : A 80 SER OG : rot 13:sc= 0.271! USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.311 -7.306 21.822 1.00 0.00 N ATOM 2 CA GLY A 1 8.871 -6.488 20.707 1.00 0.00 C ATOM 3 C GLY A 1 9.833 -5.358 20.401 1.00 0.00 C ATOM 4 O GLY A 1 10.804 -5.146 21.128 1.00 0.00 O ATOM 0 H1 GLY A 1 9.505 -8.272 21.489 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.177 -6.900 22.230 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.567 -7.333 22.548 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.759 -7.115 19.822 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.888 -6.073 20.930 1.00 0.00 H new ATOM 8 N SER A 2 9.566 -4.630 19.321 1.00 0.00 N ATOM 9 CA SER A 2 10.419 -3.519 18.918 1.00 0.00 C ATOM 10 C SER A 2 9.654 -2.541 18.031 1.00 0.00 C ATOM 11 O SER A 2 8.763 -2.934 17.279 1.00 0.00 O ATOM 12 CB SER A 2 11.653 -4.038 18.177 1.00 0.00 C ATOM 13 OG SER A 2 12.704 -4.332 19.081 1.00 0.00 O ATOM 0 H SER A 2 8.765 -4.790 18.710 1.00 0.00 H new ATOM 0 HA SER A 2 10.738 -2.994 19.818 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.393 -4.934 17.613 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.988 -3.293 17.455 1.00 0.00 H new ATOM 0 HG SER A 2 12.328 -4.652 19.927 1.00 0.00 H new ATOM 19 N SER A 3 10.009 -1.263 18.127 1.00 0.00 N ATOM 20 CA SER A 3 9.354 -0.227 17.337 1.00 0.00 C ATOM 21 C SER A 3 10.134 1.082 17.406 1.00 0.00 C ATOM 22 O SER A 3 10.371 1.621 18.487 1.00 0.00 O ATOM 23 CB SER A 3 7.923 -0.008 17.831 1.00 0.00 C ATOM 24 OG SER A 3 7.115 0.561 16.816 1.00 0.00 O ATOM 0 H SER A 3 10.746 -0.921 18.744 1.00 0.00 H new ATOM 0 HA SER A 3 9.325 -0.559 16.299 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.496 -0.959 18.150 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.932 0.646 18.703 1.00 0.00 H new ATOM 0 HG SER A 3 6.205 0.689 17.156 1.00 0.00 H new ATOM 30 N GLY A 4 10.531 1.590 16.243 1.00 0.00 N ATOM 31 CA GLY A 4 11.280 2.832 16.192 1.00 0.00 C ATOM 32 C GLY A 4 12.188 2.911 14.981 1.00 0.00 C ATOM 33 O GLY A 4 13.084 2.084 14.813 1.00 0.00 O ATOM 0 H GLY A 4 10.347 1.163 15.335 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.585 3.672 16.177 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.878 2.930 17.098 1.00 0.00 H new ATOM 37 N SER A 5 11.957 3.909 14.134 1.00 0.00 N ATOM 38 CA SER A 5 12.758 4.091 12.929 1.00 0.00 C ATOM 39 C SER A 5 12.913 5.572 12.598 1.00 0.00 C ATOM 40 O SER A 5 12.227 6.421 13.166 1.00 0.00 O ATOM 41 CB SER A 5 12.118 3.357 11.750 1.00 0.00 C ATOM 42 OG SER A 5 12.531 2.002 11.707 1.00 0.00 O ATOM 0 H SER A 5 11.221 4.604 14.260 1.00 0.00 H new ATOM 0 HA SER A 5 13.747 3.673 13.114 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.032 3.407 11.833 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.390 3.853 10.818 1.00 0.00 H new ATOM 0 HG SER A 5 12.776 1.706 12.609 1.00 0.00 H new ATOM 48 N SER A 6 13.820 5.873 11.674 1.00 0.00 N ATOM 49 CA SER A 6 14.069 7.252 11.268 1.00 0.00 C ATOM 50 C SER A 6 13.590 7.492 9.840 1.00 0.00 C ATOM 51 O SER A 6 13.467 6.559 9.048 1.00 0.00 O ATOM 52 CB SER A 6 15.560 7.577 11.380 1.00 0.00 C ATOM 53 OG SER A 6 15.861 8.810 10.750 1.00 0.00 O ATOM 0 H SER A 6 14.394 5.181 11.193 1.00 0.00 H new ATOM 0 HA SER A 6 13.510 7.908 11.935 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.848 7.622 12.430 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.145 6.779 10.923 1.00 0.00 H new ATOM 0 HG SER A 6 16.819 8.996 10.837 1.00 0.00 H new ATOM 59 N GLY A 7 13.320 8.754 9.518 1.00 0.00 N ATOM 60 CA GLY A 7 12.857 9.097 8.185 1.00 0.00 C ATOM 61 C GLY A 7 12.576 10.578 8.032 1.00 0.00 C ATOM 62 O GLY A 7 11.616 11.097 8.600 1.00 0.00 O ATOM 0 H GLY A 7 13.414 9.544 10.156 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.608 8.795 7.454 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.951 8.534 7.962 1.00 0.00 H new ATOM 66 N GLY A 8 13.418 11.263 7.264 1.00 0.00 N ATOM 67 CA GLY A 8 13.239 12.687 7.053 1.00 0.00 C ATOM 68 C GLY A 8 13.012 13.034 5.595 1.00 0.00 C ATOM 69 O GLY A 8 13.640 12.457 4.708 1.00 0.00 O ATOM 0 H GLY A 8 14.221 10.857 6.784 1.00 0.00 H new ATOM 0 HA2 GLY A 8 12.390 13.034 7.642 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.118 13.218 7.417 1.00 0.00 H new ATOM 73 N MET A 9 12.110 13.978 5.347 1.00 0.00 N ATOM 74 CA MET A 9 11.801 14.400 3.985 1.00 0.00 C ATOM 75 C MET A 9 13.062 14.861 3.260 1.00 0.00 C ATOM 76 O MET A 9 13.543 15.974 3.476 1.00 0.00 O ATOM 77 CB MET A 9 10.766 15.527 4.000 1.00 0.00 C ATOM 78 CG MET A 9 9.893 15.566 2.756 1.00 0.00 C ATOM 79 SD MET A 9 10.850 15.770 1.242 1.00 0.00 S ATOM 80 CE MET A 9 9.545 16.087 0.057 1.00 0.00 C ATOM 0 H MET A 9 11.581 14.465 6.070 1.00 0.00 H new ATOM 0 HA MET A 9 11.388 13.545 3.451 1.00 0.00 H new ATOM 0 HB2 MET A 9 10.129 15.413 4.877 1.00 0.00 H new ATOM 0 HB3 MET A 9 11.282 16.482 4.102 1.00 0.00 H new ATOM 0 HG2 MET A 9 9.314 14.644 2.694 1.00 0.00 H new ATOM 0 HG3 MET A 9 9.179 16.385 2.843 1.00 0.00 H new ATOM 0 HE1 MET A 9 9.979 16.235 -0.932 1.00 0.00 H new ATOM 0 HE2 MET A 9 8.863 15.237 0.030 1.00 0.00 H new ATOM 0 HE3 MET A 9 8.997 16.982 0.350 1.00 0.00 H new ATOM 90 N LYS A 10 13.593 14.000 2.400 1.00 0.00 N ATOM 91 CA LYS A 10 14.797 14.318 1.642 1.00 0.00 C ATOM 92 C LYS A 10 15.088 13.238 0.605 1.00 0.00 C ATOM 93 O LYS A 10 14.804 12.060 0.822 1.00 0.00 O ATOM 94 CB LYS A 10 15.992 14.471 2.585 1.00 0.00 C ATOM 95 CG LYS A 10 17.116 15.317 2.010 1.00 0.00 C ATOM 96 CD LYS A 10 18.195 15.588 3.045 1.00 0.00 C ATOM 97 CE LYS A 10 19.435 16.198 2.411 1.00 0.00 C ATOM 98 NZ LYS A 10 19.356 17.684 2.357 1.00 0.00 N ATOM 0 H LYS A 10 13.208 13.075 2.210 1.00 0.00 H new ATOM 0 HA LYS A 10 14.630 15.261 1.121 1.00 0.00 H new ATOM 0 HB2 LYS A 10 15.652 14.919 3.519 1.00 0.00 H new ATOM 0 HB3 LYS A 10 16.381 13.482 2.829 1.00 0.00 H new ATOM 0 HG2 LYS A 10 17.554 14.807 1.152 1.00 0.00 H new ATOM 0 HG3 LYS A 10 16.712 16.262 1.648 1.00 0.00 H new ATOM 0 HD2 LYS A 10 17.807 16.262 3.809 1.00 0.00 H new ATOM 0 HD3 LYS A 10 18.462 14.658 3.546 1.00 0.00 H new ATOM 0 HE2 LYS A 10 20.317 15.902 2.979 1.00 0.00 H new ATOM 0 HE3 LYS A 10 19.558 15.804 1.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 20.220 18.062 1.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 18.529 17.967 1.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 19.264 18.062 3.321 1.00 0.00 H new ATOM 112 N THR A 11 15.660 13.647 -0.524 1.00 0.00 N ATOM 113 CA THR A 11 15.990 12.715 -1.595 1.00 0.00 C ATOM 114 C THR A 11 17.458 12.828 -1.989 1.00 0.00 C ATOM 115 O THR A 11 18.172 11.828 -2.056 1.00 0.00 O ATOM 116 CB THR A 11 15.116 12.956 -2.840 1.00 0.00 C ATOM 117 OG1 THR A 11 13.731 12.844 -2.495 1.00 0.00 O ATOM 118 CG2 THR A 11 15.452 11.959 -3.938 1.00 0.00 C ATOM 0 H THR A 11 15.904 14.618 -0.720 1.00 0.00 H new ATOM 0 HA THR A 11 15.795 11.713 -1.213 1.00 0.00 H new ATOM 0 HB THR A 11 15.318 13.961 -3.210 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.182 13.000 -3.291 1.00 0.00 H new ATOM 0 HG21 THR A 11 14.822 12.149 -4.807 1.00 0.00 H new ATOM 0 HG22 THR A 11 16.500 12.066 -4.219 1.00 0.00 H new ATOM 0 HG23 THR A 11 15.275 10.946 -3.576 1.00 0.00 H new ATOM 126 N SER A 12 17.904 14.054 -2.248 1.00 0.00 N ATOM 127 CA SER A 12 19.287 14.298 -2.639 1.00 0.00 C ATOM 128 C SER A 12 20.244 13.932 -1.508 1.00 0.00 C ATOM 129 O SER A 12 20.616 14.778 -0.696 1.00 0.00 O ATOM 130 CB SER A 12 19.478 15.765 -3.029 1.00 0.00 C ATOM 131 OG SER A 12 20.536 15.911 -3.961 1.00 0.00 O ATOM 0 H SER A 12 17.327 14.893 -2.194 1.00 0.00 H new ATOM 0 HA SER A 12 19.512 13.668 -3.500 1.00 0.00 H new ATOM 0 HB2 SER A 12 18.555 16.154 -3.458 1.00 0.00 H new ATOM 0 HB3 SER A 12 19.689 16.357 -2.138 1.00 0.00 H new ATOM 0 HG SER A 12 20.637 16.857 -4.196 1.00 0.00 H new ATOM 137 N GLY A 13 20.638 12.663 -1.461 1.00 0.00 N ATOM 138 CA GLY A 13 21.547 12.206 -0.427 1.00 0.00 C ATOM 139 C GLY A 13 22.221 10.896 -0.784 1.00 0.00 C ATOM 140 O GLY A 13 21.834 10.232 -1.746 1.00 0.00 O ATOM 0 H GLY A 13 20.343 11.943 -2.121 1.00 0.00 H new ATOM 0 HA2 GLY A 13 22.308 12.967 -0.254 1.00 0.00 H new ATOM 0 HA3 GLY A 13 20.999 12.086 0.507 1.00 0.00 H new ATOM 144 N LYS A 14 23.233 10.522 -0.009 1.00 0.00 N ATOM 145 CA LYS A 14 23.964 9.283 -0.248 1.00 0.00 C ATOM 146 C LYS A 14 23.004 8.110 -0.420 1.00 0.00 C ATOM 147 O LYS A 14 21.826 8.207 -0.079 1.00 0.00 O ATOM 148 CB LYS A 14 24.927 9.004 0.908 1.00 0.00 C ATOM 149 CG LYS A 14 26.146 9.909 0.916 1.00 0.00 C ATOM 150 CD LYS A 14 27.241 9.362 1.816 1.00 0.00 C ATOM 151 CE LYS A 14 27.019 9.758 3.268 1.00 0.00 C ATOM 152 NZ LYS A 14 26.135 8.792 3.977 1.00 0.00 N ATOM 0 H LYS A 14 23.566 11.060 0.791 1.00 0.00 H new ATOM 0 HA LYS A 14 24.536 9.399 -1.169 1.00 0.00 H new ATOM 0 HB2 LYS A 14 24.393 9.120 1.851 1.00 0.00 H new ATOM 0 HB3 LYS A 14 25.256 7.966 0.853 1.00 0.00 H new ATOM 0 HG2 LYS A 14 26.528 10.015 -0.099 1.00 0.00 H new ATOM 0 HG3 LYS A 14 25.859 10.904 1.255 1.00 0.00 H new ATOM 0 HD2 LYS A 14 27.271 8.275 1.735 1.00 0.00 H new ATOM 0 HD3 LYS A 14 28.209 9.734 1.480 1.00 0.00 H new ATOM 0 HE2 LYS A 14 27.980 9.815 3.780 1.00 0.00 H new ATOM 0 HE3 LYS A 14 26.577 10.753 3.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 25.340 9.303 4.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 25.768 8.095 3.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 26.678 8.303 4.717 1.00 0.00 H new ATOM 166 N GLN A 15 23.518 7.004 -0.948 1.00 0.00 N ATOM 167 CA GLN A 15 22.705 5.812 -1.163 1.00 0.00 C ATOM 168 C GLN A 15 22.270 5.203 0.166 1.00 0.00 C ATOM 169 O GLN A 15 23.071 4.587 0.870 1.00 0.00 O ATOM 170 CB GLN A 15 23.483 4.780 -1.981 1.00 0.00 C ATOM 171 CG GLN A 15 22.616 3.653 -2.520 1.00 0.00 C ATOM 172 CD GLN A 15 21.967 3.999 -3.845 1.00 0.00 C ATOM 173 OE1 GLN A 15 21.796 5.172 -4.178 1.00 0.00 O ATOM 174 NE2 GLN A 15 21.602 2.977 -4.611 1.00 0.00 N ATOM 0 H GLN A 15 24.492 6.908 -1.235 1.00 0.00 H new ATOM 0 HA GLN A 15 21.813 6.106 -1.716 1.00 0.00 H new ATOM 0 HB2 GLN A 15 23.971 5.283 -2.816 1.00 0.00 H new ATOM 0 HB3 GLN A 15 24.272 4.355 -1.360 1.00 0.00 H new ATOM 0 HG2 GLN A 15 23.225 2.757 -2.641 1.00 0.00 H new ATOM 0 HG3 GLN A 15 21.841 3.415 -1.791 1.00 0.00 H new ATOM 0 HE21 GLN A 15 21.763 2.020 -4.296 1.00 0.00 H new ATOM 0 HE22 GLN A 15 21.161 3.149 -5.515 1.00 0.00 H new ATOM 183 N ASP A 16 20.997 5.379 0.503 1.00 0.00 N ATOM 184 CA ASP A 16 20.455 4.846 1.748 1.00 0.00 C ATOM 185 C ASP A 16 19.077 4.232 1.522 1.00 0.00 C ATOM 186 O ASP A 16 18.142 4.918 1.110 1.00 0.00 O ATOM 187 CB ASP A 16 20.369 5.948 2.805 1.00 0.00 C ATOM 188 CG ASP A 16 21.681 6.688 2.978 1.00 0.00 C ATOM 189 OD1 ASP A 16 22.655 6.066 3.453 1.00 0.00 O ATOM 190 OD2 ASP A 16 21.734 7.888 2.639 1.00 0.00 O ATOM 0 H ASP A 16 20.321 5.886 -0.068 1.00 0.00 H new ATOM 0 HA ASP A 16 21.127 4.065 2.103 1.00 0.00 H new ATOM 0 HB2 ASP A 16 19.590 6.657 2.524 1.00 0.00 H new ATOM 0 HB3 ASP A 16 20.073 5.511 3.759 1.00 0.00 H new ATOM 195 N GLU A 17 18.961 2.936 1.792 1.00 0.00 N ATOM 196 CA GLU A 17 17.697 2.230 1.616 1.00 0.00 C ATOM 197 C GLU A 17 16.537 3.038 2.192 1.00 0.00 C ATOM 198 O GLU A 17 15.410 2.961 1.704 1.00 0.00 O ATOM 199 CB GLU A 17 17.757 0.856 2.286 1.00 0.00 C ATOM 200 CG GLU A 17 18.754 -0.092 1.641 1.00 0.00 C ATOM 201 CD GLU A 17 18.849 -1.420 2.367 1.00 0.00 C ATOM 202 OE1 GLU A 17 19.639 -1.514 3.330 1.00 0.00 O ATOM 203 OE2 GLU A 17 18.136 -2.366 1.971 1.00 0.00 O ATOM 0 H GLU A 17 19.726 2.354 2.133 1.00 0.00 H new ATOM 0 HA GLU A 17 17.530 2.098 0.547 1.00 0.00 H new ATOM 0 HB2 GLU A 17 18.018 0.984 3.337 1.00 0.00 H new ATOM 0 HB3 GLU A 17 16.766 0.403 2.256 1.00 0.00 H new ATOM 0 HG2 GLU A 17 18.464 -0.268 0.605 1.00 0.00 H new ATOM 0 HG3 GLU A 17 19.737 0.378 1.622 1.00 0.00 H new ATOM 210 N ALA A 18 16.824 3.814 3.233 1.00 0.00 N ATOM 211 CA ALA A 18 15.806 4.637 3.875 1.00 0.00 C ATOM 212 C ALA A 18 15.052 5.476 2.849 1.00 0.00 C ATOM 213 O ALA A 18 13.834 5.361 2.713 1.00 0.00 O ATOM 214 CB ALA A 18 16.440 5.532 4.929 1.00 0.00 C ATOM 0 H ALA A 18 17.752 3.890 3.649 1.00 0.00 H new ATOM 0 HA ALA A 18 15.090 3.974 4.360 1.00 0.00 H new ATOM 0 HB1 ALA A 18 15.669 6.141 5.401 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.928 4.916 5.684 1.00 0.00 H new ATOM 0 HB3 ALA A 18 17.178 6.181 4.459 1.00 0.00 H new ATOM 220 N TRP A 19 15.784 6.321 2.130 1.00 0.00 N ATOM 221 CA TRP A 19 15.182 7.181 1.117 1.00 0.00 C ATOM 222 C TRP A 19 14.515 6.351 0.026 1.00 0.00 C ATOM 223 O TRP A 19 13.517 6.771 -0.562 1.00 0.00 O ATOM 224 CB TRP A 19 16.242 8.097 0.502 1.00 0.00 C ATOM 225 CG TRP A 19 17.075 7.422 -0.545 1.00 0.00 C ATOM 226 CD1 TRP A 19 18.353 6.960 -0.404 1.00 0.00 C ATOM 227 CD2 TRP A 19 16.689 7.135 -1.894 1.00 0.00 C ATOM 228 NE1 TRP A 19 18.784 6.403 -1.584 1.00 0.00 N ATOM 229 CE2 TRP A 19 17.782 6.498 -2.513 1.00 0.00 C ATOM 230 CE3 TRP A 19 15.527 7.353 -2.638 1.00 0.00 C ATOM 231 CZ2 TRP A 19 17.744 6.079 -3.840 1.00 0.00 C ATOM 232 CZ3 TRP A 19 15.491 6.937 -3.955 1.00 0.00 C ATOM 233 CH2 TRP A 19 16.593 6.305 -4.545 1.00 0.00 C ATOM 0 H TRP A 19 16.793 6.429 2.230 1.00 0.00 H new ATOM 0 HA TRP A 19 14.420 7.792 1.600 1.00 0.00 H new ATOM 0 HB2 TRP A 19 15.751 8.965 0.062 1.00 0.00 H new ATOM 0 HB3 TRP A 19 16.895 8.467 1.292 1.00 0.00 H new ATOM 0 HD1 TRP A 19 18.938 7.023 0.501 1.00 0.00 H new ATOM 0 HE1 TRP A 19 19.701 5.986 -1.742 1.00 0.00 H new ATOM 0 HE3 TRP A 19 14.672 7.838 -2.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 18.593 5.593 -4.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 14.598 7.102 -4.540 1.00 0.00 H new ATOM 0 HH2 TRP A 19 16.533 5.990 -5.576 1.00 0.00 H new ATOM 244 N ILE A 20 15.070 5.174 -0.240 1.00 0.00 N ATOM 245 CA ILE A 20 14.526 4.286 -1.260 1.00 0.00 C ATOM 246 C ILE A 20 13.161 3.746 -0.847 1.00 0.00 C ATOM 247 O ILE A 20 12.251 3.637 -1.669 1.00 0.00 O ATOM 248 CB ILE A 20 15.471 3.102 -1.538 1.00 0.00 C ATOM 249 CG1 ILE A 20 16.698 3.573 -2.322 1.00 0.00 C ATOM 250 CG2 ILE A 20 14.739 2.007 -2.298 1.00 0.00 C ATOM 251 CD1 ILE A 20 17.653 2.456 -2.679 1.00 0.00 C ATOM 0 H ILE A 20 15.896 4.813 0.237 1.00 0.00 H new ATOM 0 HA ILE A 20 14.421 4.877 -2.170 1.00 0.00 H new ATOM 0 HB ILE A 20 15.807 2.693 -0.585 1.00 0.00 H new ATOM 0 HG12 ILE A 20 16.368 4.064 -3.237 1.00 0.00 H new ATOM 0 HG13 ILE A 20 17.230 4.321 -1.734 1.00 0.00 H new ATOM 0 HG21 ILE A 20 15.420 1.177 -2.487 1.00 0.00 H new ATOM 0 HG22 ILE A 20 13.894 1.655 -1.706 1.00 0.00 H new ATOM 0 HG23 ILE A 20 14.377 2.402 -3.247 1.00 0.00 H new ATOM 0 HD11 ILE A 20 18.498 2.863 -3.233 1.00 0.00 H new ATOM 0 HD12 ILE A 20 18.013 1.979 -1.767 1.00 0.00 H new ATOM 0 HD13 ILE A 20 17.137 1.719 -3.294 1.00 0.00 H new ATOM 263 N MET A 21 13.025 3.411 0.431 1.00 0.00 N ATOM 264 CA MET A 21 11.769 2.886 0.954 1.00 0.00 C ATOM 265 C MET A 21 10.578 3.628 0.355 1.00 0.00 C ATOM 266 O MET A 21 9.556 3.023 0.033 1.00 0.00 O ATOM 267 CB MET A 21 11.740 2.997 2.479 1.00 0.00 C ATOM 268 CG MET A 21 10.466 2.451 3.104 1.00 0.00 C ATOM 269 SD MET A 21 10.590 0.699 3.515 1.00 0.00 S ATOM 270 CE MET A 21 9.474 -0.011 2.307 1.00 0.00 C ATOM 0 H MET A 21 13.769 3.494 1.124 1.00 0.00 H new ATOM 0 HA MET A 21 11.698 1.835 0.673 1.00 0.00 H new ATOM 0 HB2 MET A 21 12.595 2.461 2.890 1.00 0.00 H new ATOM 0 HB3 MET A 21 11.854 4.044 2.761 1.00 0.00 H new ATOM 0 HG2 MET A 21 10.237 3.017 4.007 1.00 0.00 H new ATOM 0 HG3 MET A 21 9.635 2.601 2.415 1.00 0.00 H new ATOM 0 HE1 MET A 21 8.858 -0.773 2.784 1.00 0.00 H new ATOM 0 HE2 MET A 21 8.833 0.771 1.900 1.00 0.00 H new ATOM 0 HE3 MET A 21 10.051 -0.464 1.501 1.00 0.00 H new ATOM 280 N SER A 22 10.717 4.942 0.210 1.00 0.00 N ATOM 281 CA SER A 22 9.651 5.767 -0.346 1.00 0.00 C ATOM 282 C SER A 22 9.354 5.370 -1.789 1.00 0.00 C ATOM 283 O SER A 22 8.195 5.228 -2.179 1.00 0.00 O ATOM 284 CB SER A 22 10.035 7.246 -0.280 1.00 0.00 C ATOM 285 OG SER A 22 10.071 7.705 1.060 1.00 0.00 O ATOM 0 H SER A 22 11.558 5.458 0.470 1.00 0.00 H new ATOM 0 HA SER A 22 8.752 5.606 0.249 1.00 0.00 H new ATOM 0 HB2 SER A 22 11.010 7.393 -0.744 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.318 7.837 -0.851 1.00 0.00 H new ATOM 0 HG SER A 22 10.321 8.653 1.075 1.00 0.00 H new ATOM 291 N ARG A 23 10.409 5.194 -2.577 1.00 0.00 N ATOM 292 CA ARG A 23 10.263 4.815 -3.977 1.00 0.00 C ATOM 293 C ARG A 23 9.097 3.848 -4.159 1.00 0.00 C ATOM 294 O ARG A 23 8.141 4.139 -4.880 1.00 0.00 O ATOM 295 CB ARG A 23 11.554 4.177 -4.493 1.00 0.00 C ATOM 296 CG ARG A 23 12.711 5.155 -4.612 1.00 0.00 C ATOM 297 CD ARG A 23 13.798 4.623 -5.533 1.00 0.00 C ATOM 298 NE ARG A 23 13.858 3.164 -5.523 1.00 0.00 N ATOM 299 CZ ARG A 23 14.677 2.457 -6.294 1.00 0.00 C ATOM 300 NH1 ARG A 23 15.501 3.073 -7.131 1.00 0.00 N ATOM 301 NH2 ARG A 23 14.674 1.132 -6.227 1.00 0.00 N ATOM 0 H ARG A 23 11.375 5.308 -2.270 1.00 0.00 H new ATOM 0 HA ARG A 23 10.058 5.718 -4.552 1.00 0.00 H new ATOM 0 HB2 ARG A 23 11.842 3.367 -3.823 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.364 3.731 -5.469 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.345 6.109 -4.992 1.00 0.00 H new ATOM 0 HG3 ARG A 23 13.131 5.346 -3.624 1.00 0.00 H new ATOM 0 HD2 ARG A 23 13.614 4.971 -6.549 1.00 0.00 H new ATOM 0 HD3 ARG A 23 14.763 5.028 -5.227 1.00 0.00 H new ATOM 0 HE ARG A 23 13.237 2.660 -4.890 1.00 0.00 H new ATOM 0 HH11 ARG A 23 15.507 4.092 -7.184 1.00 0.00 H new ATOM 0 HH12 ARG A 23 16.129 2.528 -7.722 1.00 0.00 H new ATOM 0 HH21 ARG A 23 14.043 0.655 -5.583 1.00 0.00 H new ATOM 0 HH22 ARG A 23 15.303 0.590 -6.819 1.00 0.00 H new ATOM 315 N LEU A 24 9.182 2.696 -3.503 1.00 0.00 N ATOM 316 CA LEU A 24 8.134 1.685 -3.592 1.00 0.00 C ATOM 317 C LEU A 24 6.786 2.258 -3.167 1.00 0.00 C ATOM 318 O LEU A 24 5.741 1.855 -3.677 1.00 0.00 O ATOM 319 CB LEU A 24 8.486 0.479 -2.720 1.00 0.00 C ATOM 320 CG LEU A 24 9.917 -0.046 -2.846 1.00 0.00 C ATOM 321 CD1 LEU A 24 10.170 -1.153 -1.835 1.00 0.00 C ATOM 322 CD2 LEU A 24 10.181 -0.542 -4.261 1.00 0.00 C ATOM 0 H LEU A 24 9.966 2.439 -2.903 1.00 0.00 H new ATOM 0 HA LEU A 24 8.060 1.365 -4.631 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.308 0.745 -1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.800 -0.332 -2.963 1.00 0.00 H new ATOM 0 HG LEU A 24 10.604 0.774 -2.636 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.193 -1.514 -1.939 1.00 0.00 H new ATOM 0 HD12 LEU A 24 10.023 -0.766 -0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 24 9.475 -1.974 -2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.204 -0.912 -4.332 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.487 -1.348 -4.500 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.042 0.278 -4.966 1.00 0.00 H new ATOM 334 N ILE A 25 6.819 3.202 -2.232 1.00 0.00 N ATOM 335 CA ILE A 25 5.600 3.833 -1.742 1.00 0.00 C ATOM 336 C ILE A 25 4.972 4.720 -2.811 1.00 0.00 C ATOM 337 O ILE A 25 3.771 4.641 -3.073 1.00 0.00 O ATOM 338 CB ILE A 25 5.871 4.678 -0.483 1.00 0.00 C ATOM 339 CG1 ILE A 25 6.702 3.881 0.524 1.00 0.00 C ATOM 340 CG2 ILE A 25 4.560 5.131 0.143 1.00 0.00 C ATOM 341 CD1 ILE A 25 5.867 3.039 1.464 1.00 0.00 C ATOM 0 H ILE A 25 7.676 3.546 -1.799 1.00 0.00 H new ATOM 0 HA ILE A 25 4.908 3.030 -1.488 1.00 0.00 H new ATOM 0 HB ILE A 25 6.438 5.563 -0.772 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.390 3.232 -0.018 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.309 4.572 1.110 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.768 5.727 1.032 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.003 5.732 -0.575 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.969 4.258 0.421 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.522 2.502 2.150 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.197 3.684 2.032 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.280 2.324 0.888 1.00 0.00 H new ATOM 353 N LYS A 26 5.791 5.565 -3.427 1.00 0.00 N ATOM 354 CA LYS A 26 5.318 6.466 -4.471 1.00 0.00 C ATOM 355 C LYS A 26 4.375 5.744 -5.428 1.00 0.00 C ATOM 356 O LYS A 26 3.325 6.271 -5.794 1.00 0.00 O ATOM 357 CB LYS A 26 6.502 7.047 -5.247 1.00 0.00 C ATOM 358 CG LYS A 26 6.137 8.246 -6.105 1.00 0.00 C ATOM 359 CD LYS A 26 7.375 8.993 -6.574 1.00 0.00 C ATOM 360 CE LYS A 26 7.858 9.985 -5.527 1.00 0.00 C ATOM 361 NZ LYS A 26 8.587 9.308 -4.418 1.00 0.00 N ATOM 0 H LYS A 26 6.787 5.645 -3.221 1.00 0.00 H new ATOM 0 HA LYS A 26 4.770 7.278 -3.993 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.280 7.339 -4.542 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.925 6.270 -5.884 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.562 7.915 -6.969 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.497 8.921 -5.536 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.169 8.280 -6.795 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.153 9.521 -7.502 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.512 10.720 -5.997 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.005 10.530 -5.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.325 9.942 -4.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.920 9.074 -3.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.026 8.435 -4.773 1.00 0.00 H new ATOM 375 N GLN A 27 4.756 4.535 -5.827 1.00 0.00 N ATOM 376 CA GLN A 27 3.943 3.740 -6.740 1.00 0.00 C ATOM 377 C GLN A 27 2.539 3.535 -6.181 1.00 0.00 C ATOM 378 O GLN A 27 1.556 3.552 -6.923 1.00 0.00 O ATOM 379 CB GLN A 27 4.605 2.385 -6.999 1.00 0.00 C ATOM 380 CG GLN A 27 5.707 2.436 -8.045 1.00 0.00 C ATOM 381 CD GLN A 27 6.994 3.031 -7.509 1.00 0.00 C ATOM 382 OE1 GLN A 27 7.376 4.144 -7.874 1.00 0.00 O ATOM 383 NE2 GLN A 27 7.670 2.292 -6.638 1.00 0.00 N ATOM 0 H GLN A 27 5.622 4.084 -5.533 1.00 0.00 H new ATOM 0 HA GLN A 27 3.863 4.283 -7.682 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.020 2.008 -6.064 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.844 1.674 -7.320 1.00 0.00 H new ATOM 0 HG2 GLN A 27 5.902 1.428 -8.411 1.00 0.00 H new ATOM 0 HG3 GLN A 27 5.367 3.024 -8.897 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.316 1.375 -6.364 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.543 2.641 -6.243 1.00 0.00 H new ATOM 392 N LEU A 28 2.453 3.341 -4.870 1.00 0.00 N ATOM 393 CA LEU A 28 1.168 3.132 -4.211 1.00 0.00 C ATOM 394 C LEU A 28 0.452 4.459 -3.980 1.00 0.00 C ATOM 395 O LEU A 28 -0.689 4.644 -4.404 1.00 0.00 O ATOM 396 CB LEU A 28 1.369 2.410 -2.877 1.00 0.00 C ATOM 397 CG LEU A 28 1.327 0.882 -2.929 1.00 0.00 C ATOM 398 CD1 LEU A 28 2.425 0.349 -3.837 1.00 0.00 C ATOM 399 CD2 LEU A 28 1.459 0.297 -1.531 1.00 0.00 C ATOM 0 H LEU A 28 3.257 3.324 -4.242 1.00 0.00 H new ATOM 0 HA LEU A 28 0.549 2.515 -4.863 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.331 2.713 -2.464 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.601 2.751 -2.182 1.00 0.00 H new ATOM 0 HG LEU A 28 0.364 0.578 -3.339 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.380 -0.740 -3.862 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.286 0.741 -4.845 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.397 0.663 -3.456 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.427 -0.791 -1.587 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.407 0.610 -1.094 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.638 0.652 -0.909 1.00 0.00 H new ATOM 411 N THR A 29 1.131 5.383 -3.307 1.00 0.00 N ATOM 412 CA THR A 29 0.561 6.694 -3.021 1.00 0.00 C ATOM 413 C THR A 29 -0.123 7.276 -4.252 1.00 0.00 C ATOM 414 O THR A 29 -1.137 7.966 -4.143 1.00 0.00 O ATOM 415 CB THR A 29 1.638 7.680 -2.531 1.00 0.00 C ATOM 416 OG1 THR A 29 2.652 7.834 -3.531 1.00 0.00 O ATOM 417 CG2 THR A 29 2.267 7.195 -1.234 1.00 0.00 C ATOM 0 H THR A 29 2.077 5.247 -2.950 1.00 0.00 H new ATOM 0 HA THR A 29 -0.177 6.553 -2.232 1.00 0.00 H new ATOM 0 HB THR A 29 1.161 8.642 -2.346 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.615 7.078 -4.154 1.00 0.00 H new ATOM 0 HG21 THR A 29 3.024 7.908 -0.908 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.497 7.107 -0.467 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.731 6.222 -1.396 1.00 0.00 H new ATOM 425 N ASP A 30 0.437 6.994 -5.424 1.00 0.00 N ATOM 426 CA ASP A 30 -0.121 7.488 -6.677 1.00 0.00 C ATOM 427 C ASP A 30 -1.294 6.624 -7.129 1.00 0.00 C ATOM 428 O ASP A 30 -2.186 7.091 -7.836 1.00 0.00 O ATOM 429 CB ASP A 30 0.955 7.517 -7.763 1.00 0.00 C ATOM 430 CG ASP A 30 0.566 8.389 -8.941 1.00 0.00 C ATOM 431 OD1 ASP A 30 -0.528 8.173 -9.502 1.00 0.00 O ATOM 432 OD2 ASP A 30 1.356 9.287 -9.301 1.00 0.00 O ATOM 0 H ASP A 30 1.277 6.426 -5.532 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.484 8.502 -6.509 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.888 7.884 -7.336 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.142 6.502 -8.112 1.00 0.00 H new ATOM 437 N MET A 31 -1.285 5.360 -6.716 1.00 0.00 N ATOM 438 CA MET A 31 -2.348 4.430 -7.078 1.00 0.00 C ATOM 439 C MET A 31 -3.651 4.793 -6.373 1.00 0.00 C ATOM 440 O MET A 31 -4.632 5.168 -7.015 1.00 0.00 O ATOM 441 CB MET A 31 -1.945 2.998 -6.724 1.00 0.00 C ATOM 442 CG MET A 31 -1.173 2.293 -7.827 1.00 0.00 C ATOM 443 SD MET A 31 -0.010 1.072 -7.190 1.00 0.00 S ATOM 444 CE MET A 31 -1.125 -0.061 -6.366 1.00 0.00 C ATOM 0 H MET A 31 -0.553 4.957 -6.131 1.00 0.00 H new ATOM 0 HA MET A 31 -2.506 4.499 -8.154 1.00 0.00 H new ATOM 0 HB2 MET A 31 -1.337 3.014 -5.819 1.00 0.00 H new ATOM 0 HB3 MET A 31 -2.842 2.423 -6.495 1.00 0.00 H new ATOM 0 HG2 MET A 31 -1.876 1.803 -8.501 1.00 0.00 H new ATOM 0 HG3 MET A 31 -0.631 3.033 -8.416 1.00 0.00 H new ATOM 0 HE1 MET A 31 -0.548 -0.825 -5.845 1.00 0.00 H new ATOM 0 HE2 MET A 31 -1.734 0.487 -5.647 1.00 0.00 H new ATOM 0 HE3 MET A 31 -1.773 -0.535 -7.104 1.00 0.00 H new ATOM 454 N GLY A 32 -3.655 4.679 -5.049 1.00 0.00 N ATOM 455 CA GLY A 32 -4.843 4.998 -4.279 1.00 0.00 C ATOM 456 C GLY A 32 -4.764 4.491 -2.853 1.00 0.00 C ATOM 457 O GLY A 32 -5.771 4.077 -2.277 1.00 0.00 O ATOM 0 H GLY A 32 -2.856 4.371 -4.495 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.987 6.078 -4.270 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.716 4.565 -4.767 1.00 0.00 H new ATOM 461 N PHE A 33 -3.565 4.519 -2.282 1.00 0.00 N ATOM 462 CA PHE A 33 -3.358 4.056 -0.915 1.00 0.00 C ATOM 463 C PHE A 33 -2.405 4.982 -0.165 1.00 0.00 C ATOM 464 O PHE A 33 -1.464 5.537 -0.732 1.00 0.00 O ATOM 465 CB PHE A 33 -2.806 2.629 -0.916 1.00 0.00 C ATOM 466 CG PHE A 33 -3.568 1.692 -1.808 1.00 0.00 C ATOM 467 CD1 PHE A 33 -4.919 1.463 -1.602 1.00 0.00 C ATOM 468 CD2 PHE A 33 -2.934 1.039 -2.853 1.00 0.00 C ATOM 469 CE1 PHE A 33 -5.623 0.601 -2.421 1.00 0.00 C ATOM 470 CE2 PHE A 33 -3.633 0.176 -3.675 1.00 0.00 C ATOM 471 CZ PHE A 33 -4.979 -0.043 -3.460 1.00 0.00 C ATOM 0 H PHE A 33 -2.721 4.858 -2.745 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.321 4.065 -0.405 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.763 2.652 -1.233 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.822 2.241 0.103 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.428 1.964 -0.792 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.881 1.207 -3.027 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.676 0.431 -2.249 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.127 -0.327 -4.485 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.527 -0.716 -4.102 1.00 0.00 H new ATOM 481 N PRO A 34 -2.654 5.154 1.142 1.00 0.00 N ATOM 482 CA PRO A 34 -1.830 6.012 1.998 1.00 0.00 C ATOM 483 C PRO A 34 -0.441 5.429 2.239 1.00 0.00 C ATOM 484 O PRO A 34 -0.237 4.220 2.122 1.00 0.00 O ATOM 485 CB PRO A 34 -2.620 6.070 3.308 1.00 0.00 C ATOM 486 CG PRO A 34 -3.424 4.816 3.321 1.00 0.00 C ATOM 487 CD PRO A 34 -3.759 4.524 1.884 1.00 0.00 C ATOM 0 HA PRO A 34 -1.654 6.988 1.547 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.955 6.123 4.170 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -3.260 6.951 3.346 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.860 3.995 3.765 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -4.329 4.939 3.916 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.812 3.452 1.693 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.724 4.946 1.603 1.00 0.00 H new ATOM 495 N ARG A 35 0.509 6.294 2.577 1.00 0.00 N ATOM 496 CA ARG A 35 1.878 5.864 2.834 1.00 0.00 C ATOM 497 C ARG A 35 1.957 5.036 4.113 1.00 0.00 C ATOM 498 O ARG A 35 2.826 4.177 4.255 1.00 0.00 O ATOM 499 CB ARG A 35 2.804 7.076 2.940 1.00 0.00 C ATOM 500 CG ARG A 35 2.409 8.051 4.037 1.00 0.00 C ATOM 501 CD ARG A 35 3.402 9.197 4.149 1.00 0.00 C ATOM 502 NE ARG A 35 3.362 9.829 5.465 1.00 0.00 N ATOM 503 CZ ARG A 35 4.057 10.916 5.780 1.00 0.00 C ATOM 504 NH1 ARG A 35 4.841 11.490 4.877 1.00 0.00 N ATOM 505 NH2 ARG A 35 3.968 11.433 6.999 1.00 0.00 N ATOM 0 H ARG A 35 0.356 7.297 2.679 1.00 0.00 H new ATOM 0 HA ARG A 35 2.200 5.242 1.999 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.821 6.730 3.122 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.812 7.601 1.985 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.415 8.448 3.831 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.351 7.524 4.990 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.408 8.825 3.956 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.185 9.941 3.383 1.00 0.00 H new ATOM 0 HE ARG A 35 2.768 9.413 6.182 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.911 11.097 3.939 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.374 12.325 5.121 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.365 10.995 7.696 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.503 12.268 7.239 1.00 0.00 H new ATOM 519 N GLU A 36 1.043 5.302 5.041 1.00 0.00 N ATOM 520 CA GLU A 36 1.011 4.582 6.309 1.00 0.00 C ATOM 521 C GLU A 36 1.230 3.088 6.092 1.00 0.00 C ATOM 522 O GLU A 36 2.224 2.510 6.533 1.00 0.00 O ATOM 523 CB GLU A 36 -0.324 4.815 7.019 1.00 0.00 C ATOM 524 CG GLU A 36 -0.279 5.931 8.049 1.00 0.00 C ATOM 525 CD GLU A 36 0.691 7.034 7.672 1.00 0.00 C ATOM 526 OE1 GLU A 36 0.621 7.517 6.523 1.00 0.00 O ATOM 527 OE2 GLU A 36 1.519 7.414 8.526 1.00 0.00 O ATOM 0 H GLU A 36 0.316 6.010 4.939 1.00 0.00 H new ATOM 0 HA GLU A 36 1.819 4.963 6.934 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.085 5.049 6.275 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.631 3.891 7.510 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.277 6.354 8.165 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.006 5.517 9.016 1.00 0.00 H new ATOM 534 N PRO A 37 0.280 2.446 5.396 1.00 0.00 N ATOM 535 CA PRO A 37 0.346 1.011 5.104 1.00 0.00 C ATOM 536 C PRO A 37 1.446 0.673 4.103 1.00 0.00 C ATOM 537 O PRO A 37 2.266 -0.212 4.343 1.00 0.00 O ATOM 538 CB PRO A 37 -1.031 0.706 4.509 1.00 0.00 C ATOM 539 CG PRO A 37 -1.495 2.004 3.943 1.00 0.00 C ATOM 540 CD PRO A 37 -0.931 3.072 4.840 1.00 0.00 C ATOM 0 HA PRO A 37 0.581 0.425 5.992 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.968 -0.062 3.738 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.719 0.338 5.270 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -1.145 2.130 2.918 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.584 2.051 3.916 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.695 3.980 4.285 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.635 3.351 5.624 1.00 0.00 H new ATOM 548 N ALA A 38 1.456 1.383 2.980 1.00 0.00 N ATOM 549 CA ALA A 38 2.456 1.160 1.943 1.00 0.00 C ATOM 550 C ALA A 38 3.831 0.910 2.553 1.00 0.00 C ATOM 551 O ALA A 38 4.660 0.210 1.971 1.00 0.00 O ATOM 552 CB ALA A 38 2.505 2.347 0.993 1.00 0.00 C ATOM 0 H ALA A 38 0.782 2.118 2.765 1.00 0.00 H new ATOM 0 HA ALA A 38 2.170 0.271 1.381 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.256 2.167 0.224 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.530 2.478 0.524 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.764 3.248 1.549 1.00 0.00 H new ATOM 558 N GLU A 39 4.067 1.487 3.727 1.00 0.00 N ATOM 559 CA GLU A 39 5.344 1.328 4.413 1.00 0.00 C ATOM 560 C GLU A 39 5.361 0.044 5.238 1.00 0.00 C ATOM 561 O GLU A 39 6.300 -0.748 5.152 1.00 0.00 O ATOM 562 CB GLU A 39 5.616 2.531 5.318 1.00 0.00 C ATOM 563 CG GLU A 39 6.873 2.388 6.160 1.00 0.00 C ATOM 564 CD GLU A 39 6.617 1.674 7.473 1.00 0.00 C ATOM 565 OE1 GLU A 39 5.887 2.231 8.318 1.00 0.00 O ATOM 566 OE2 GLU A 39 7.148 0.558 7.655 1.00 0.00 O ATOM 0 H GLU A 39 3.391 2.068 4.223 1.00 0.00 H new ATOM 0 HA GLU A 39 6.128 1.266 3.658 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.701 3.426 4.702 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.761 2.679 5.978 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.625 1.840 5.593 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.285 3.377 6.363 1.00 0.00 H new ATOM 573 N GLU A 40 4.316 -0.155 6.035 1.00 0.00 N ATOM 574 CA GLU A 40 4.213 -1.342 6.876 1.00 0.00 C ATOM 575 C GLU A 40 4.192 -2.610 6.027 1.00 0.00 C ATOM 576 O GLU A 40 4.960 -3.542 6.266 1.00 0.00 O ATOM 577 CB GLU A 40 2.952 -1.273 7.740 1.00 0.00 C ATOM 578 CG GLU A 40 2.953 -0.118 8.727 1.00 0.00 C ATOM 579 CD GLU A 40 3.868 -0.362 9.911 1.00 0.00 C ATOM 580 OE1 GLU A 40 5.081 -0.563 9.693 1.00 0.00 O ATOM 581 OE2 GLU A 40 3.370 -0.353 11.057 1.00 0.00 O ATOM 0 H GLU A 40 3.530 0.489 6.116 1.00 0.00 H new ATOM 0 HA GLU A 40 5.088 -1.374 7.525 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.081 -1.184 7.091 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.846 -2.209 8.289 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.264 0.792 8.214 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.937 0.049 9.086 1.00 0.00 H new ATOM 588 N ALA A 41 3.308 -2.637 5.036 1.00 0.00 N ATOM 589 CA ALA A 41 3.188 -3.788 4.150 1.00 0.00 C ATOM 590 C ALA A 41 4.545 -4.186 3.579 1.00 0.00 C ATOM 591 O ALA A 41 5.090 -5.236 3.920 1.00 0.00 O ATOM 592 CB ALA A 41 2.207 -3.490 3.026 1.00 0.00 C ATOM 0 H ALA A 41 2.664 -1.874 4.826 1.00 0.00 H new ATOM 0 HA ALA A 41 2.809 -4.626 4.735 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.128 -4.359 2.372 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.228 -3.263 3.448 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.561 -2.634 2.451 1.00 0.00 H new ATOM 598 N LEU A 42 5.085 -3.341 2.708 1.00 0.00 N ATOM 599 CA LEU A 42 6.379 -3.604 2.088 1.00 0.00 C ATOM 600 C LEU A 42 7.326 -4.283 3.072 1.00 0.00 C ATOM 601 O LEU A 42 7.746 -5.421 2.862 1.00 0.00 O ATOM 602 CB LEU A 42 6.999 -2.300 1.583 1.00 0.00 C ATOM 603 CG LEU A 42 6.331 -1.668 0.362 1.00 0.00 C ATOM 604 CD1 LEU A 42 6.910 -0.287 0.092 1.00 0.00 C ATOM 605 CD2 LEU A 42 6.490 -2.563 -0.857 1.00 0.00 C ATOM 0 H LEU A 42 4.647 -2.468 2.415 1.00 0.00 H new ATOM 0 HA LEU A 42 6.220 -4.275 1.243 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.984 -1.575 2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.046 -2.488 1.343 1.00 0.00 H new ATOM 0 HG LEU A 42 5.267 -1.559 0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.423 0.148 -0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.742 0.353 0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.981 -0.371 -0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.008 -2.097 -1.716 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.550 -2.705 -1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.026 -3.530 -0.662 1.00 0.00 H new ATOM 617 N LYS A 43 7.656 -3.579 4.150 1.00 0.00 N ATOM 618 CA LYS A 43 8.551 -4.114 5.169 1.00 0.00 C ATOM 619 C LYS A 43 8.298 -5.602 5.388 1.00 0.00 C ATOM 620 O LYS A 43 9.236 -6.386 5.530 1.00 0.00 O ATOM 621 CB LYS A 43 8.368 -3.355 6.486 1.00 0.00 C ATOM 622 CG LYS A 43 8.993 -1.971 6.483 1.00 0.00 C ATOM 623 CD LYS A 43 10.484 -2.033 6.770 1.00 0.00 C ATOM 624 CE LYS A 43 11.041 -0.662 7.121 1.00 0.00 C ATOM 625 NZ LYS A 43 10.855 -0.340 8.563 1.00 0.00 N ATOM 0 H LYS A 43 7.317 -2.636 4.340 1.00 0.00 H new ATOM 0 HA LYS A 43 9.576 -3.985 4.821 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.303 -3.263 6.697 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.804 -3.940 7.296 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.827 -1.498 5.515 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.503 -1.348 7.231 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.669 -2.724 7.593 1.00 0.00 H new ATOM 0 HD3 LYS A 43 11.007 -2.427 5.899 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.102 -0.627 6.875 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.548 0.097 6.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.248 0.602 8.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.841 -0.348 8.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.347 -1.049 9.143 1.00 0.00 H new ATOM 639 N SER A 44 7.025 -5.984 5.413 1.00 0.00 N ATOM 640 CA SER A 44 6.650 -7.378 5.617 1.00 0.00 C ATOM 641 C SER A 44 6.723 -8.158 4.307 1.00 0.00 C ATOM 642 O SER A 44 7.044 -9.345 4.296 1.00 0.00 O ATOM 643 CB SER A 44 5.237 -7.468 6.198 1.00 0.00 C ATOM 644 OG SER A 44 4.926 -8.798 6.579 1.00 0.00 O ATOM 0 H SER A 44 6.237 -5.348 5.295 1.00 0.00 H new ATOM 0 HA SER A 44 7.355 -7.818 6.322 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.153 -6.810 7.063 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.514 -7.119 5.461 1.00 0.00 H new ATOM 0 HG SER A 44 4.019 -8.829 6.948 1.00 0.00 H new ATOM 650 N ASN A 45 6.422 -7.479 3.205 1.00 0.00 N ATOM 651 CA ASN A 45 6.453 -8.107 1.889 1.00 0.00 C ATOM 652 C ASN A 45 7.861 -8.070 1.301 1.00 0.00 C ATOM 653 O ASN A 45 8.036 -7.942 0.090 1.00 0.00 O ATOM 654 CB ASN A 45 5.475 -7.407 0.943 1.00 0.00 C ATOM 655 CG ASN A 45 4.028 -7.676 1.306 1.00 0.00 C ATOM 656 OD1 ASN A 45 3.429 -8.645 0.839 1.00 0.00 O ATOM 657 ND2 ASN A 45 3.458 -6.816 2.143 1.00 0.00 N ATOM 0 H ASN A 45 6.154 -6.495 3.197 1.00 0.00 H new ATOM 0 HA ASN A 45 6.154 -9.149 2.005 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.659 -6.333 0.965 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.659 -7.741 -0.078 1.00 0.00 H new ATOM 0 HD21 ASN A 45 2.486 -6.945 2.423 1.00 0.00 H new ATOM 0 HD22 ASN A 45 3.993 -6.027 2.506 1.00 0.00 H new ATOM 664 N ASN A 46 8.862 -8.183 2.168 1.00 0.00 N ATOM 665 CA ASN A 46 10.254 -8.162 1.736 1.00 0.00 C ATOM 666 C ASN A 46 10.475 -7.098 0.665 1.00 0.00 C ATOM 667 O ASN A 46 11.226 -7.308 -0.287 1.00 0.00 O ATOM 668 CB ASN A 46 10.663 -9.535 1.198 1.00 0.00 C ATOM 669 CG ASN A 46 12.169 -9.710 1.144 1.00 0.00 C ATOM 670 OD1 ASN A 46 12.876 -8.907 0.536 1.00 0.00 O ATOM 671 ND2 ASN A 46 12.665 -10.763 1.782 1.00 0.00 N ATOM 0 H ASN A 46 8.735 -8.290 3.174 1.00 0.00 H new ATOM 0 HA ASN A 46 10.873 -7.918 2.599 1.00 0.00 H new ATOM 0 HB2 ASN A 46 10.232 -10.312 1.829 1.00 0.00 H new ATOM 0 HB3 ASN A 46 10.248 -9.669 0.199 1.00 0.00 H new ATOM 0 HD21 ASN A 46 13.671 -10.933 1.781 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.040 -11.403 2.273 1.00 0.00 H new ATOM 678 N MET A 47 9.817 -5.955 0.830 1.00 0.00 N ATOM 679 CA MET A 47 9.943 -4.857 -0.122 1.00 0.00 C ATOM 680 C MET A 47 9.407 -5.260 -1.492 1.00 0.00 C ATOM 681 O MET A 47 10.096 -5.129 -2.501 1.00 0.00 O ATOM 682 CB MET A 47 11.405 -4.423 -0.241 1.00 0.00 C ATOM 683 CG MET A 47 12.075 -4.170 1.100 1.00 0.00 C ATOM 684 SD MET A 47 11.866 -2.473 1.672 1.00 0.00 S ATOM 685 CE MET A 47 10.917 -2.735 3.169 1.00 0.00 C ATOM 0 H MET A 47 9.192 -5.765 1.613 1.00 0.00 H new ATOM 0 HA MET A 47 9.351 -4.019 0.247 1.00 0.00 H new ATOM 0 HB2 MET A 47 11.961 -5.192 -0.776 1.00 0.00 H new ATOM 0 HB3 MET A 47 11.458 -3.515 -0.842 1.00 0.00 H new ATOM 0 HG2 MET A 47 11.662 -4.853 1.843 1.00 0.00 H new ATOM 0 HG3 MET A 47 13.139 -4.393 1.018 1.00 0.00 H new ATOM 0 HE1 MET A 47 11.077 -1.901 3.852 1.00 0.00 H new ATOM 0 HE2 MET A 47 9.858 -2.802 2.921 1.00 0.00 H new ATOM 0 HE3 MET A 47 11.238 -3.661 3.646 1.00 0.00 H new ATOM 695 N ASN A 48 8.172 -5.752 -1.518 1.00 0.00 N ATOM 696 CA ASN A 48 7.544 -6.175 -2.764 1.00 0.00 C ATOM 697 C ASN A 48 6.297 -5.346 -3.053 1.00 0.00 C ATOM 698 O ASN A 48 5.563 -4.967 -2.139 1.00 0.00 O ATOM 699 CB ASN A 48 7.179 -7.660 -2.697 1.00 0.00 C ATOM 700 CG ASN A 48 8.378 -8.561 -2.926 1.00 0.00 C ATOM 701 OD1 ASN A 48 9.033 -8.993 -1.978 1.00 0.00 O ATOM 702 ND2 ASN A 48 8.669 -8.848 -4.189 1.00 0.00 N ATOM 0 H ASN A 48 7.587 -5.867 -0.690 1.00 0.00 H new ATOM 0 HA ASN A 48 8.258 -6.019 -3.573 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.743 -7.881 -1.723 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.416 -7.878 -3.444 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.464 -9.449 -4.405 1.00 0.00 H new ATOM 0 HD22 ASN A 48 8.098 -8.467 -4.943 1.00 0.00 H new ATOM 709 N LEU A 49 6.062 -5.068 -4.331 1.00 0.00 N ATOM 710 CA LEU A 49 4.902 -4.284 -4.742 1.00 0.00 C ATOM 711 C LEU A 49 3.681 -5.177 -4.935 1.00 0.00 C ATOM 712 O LEU A 49 2.638 -4.961 -4.318 1.00 0.00 O ATOM 713 CB LEU A 49 5.206 -3.529 -6.038 1.00 0.00 C ATOM 714 CG LEU A 49 4.464 -2.207 -6.234 1.00 0.00 C ATOM 715 CD1 LEU A 49 4.835 -1.219 -5.139 1.00 0.00 C ATOM 716 CD2 LEU A 49 4.768 -1.623 -7.606 1.00 0.00 C ATOM 0 H LEU A 49 6.659 -5.373 -5.100 1.00 0.00 H new ATOM 0 HA LEU A 49 4.682 -3.565 -3.952 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.277 -3.331 -6.077 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.972 -4.182 -6.879 1.00 0.00 H new ATOM 0 HG LEU A 49 3.393 -2.401 -6.173 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.297 -0.284 -5.295 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.566 -1.634 -4.168 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.908 -1.030 -5.168 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.231 -0.682 -7.728 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.839 -1.444 -7.696 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.451 -2.324 -8.378 1.00 0.00 H new ATOM 728 N ASP A 50 3.819 -6.182 -5.792 1.00 0.00 N ATOM 729 CA ASP A 50 2.728 -7.111 -6.064 1.00 0.00 C ATOM 730 C ASP A 50 2.294 -7.827 -4.788 1.00 0.00 C ATOM 731 O ASP A 50 1.102 -7.994 -4.535 1.00 0.00 O ATOM 732 CB ASP A 50 3.152 -8.135 -7.118 1.00 0.00 C ATOM 733 CG ASP A 50 4.554 -8.661 -6.884 1.00 0.00 C ATOM 734 OD1 ASP A 50 4.741 -9.450 -5.934 1.00 0.00 O ATOM 735 OD2 ASP A 50 5.465 -8.285 -7.651 1.00 0.00 O ATOM 0 H ASP A 50 4.676 -6.375 -6.311 1.00 0.00 H new ATOM 0 HA ASP A 50 1.882 -6.538 -6.445 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.449 -8.968 -7.114 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.099 -7.678 -8.106 1.00 0.00 H new ATOM 740 N GLN A 51 3.270 -8.248 -3.990 1.00 0.00 N ATOM 741 CA GLN A 51 2.988 -8.947 -2.742 1.00 0.00 C ATOM 742 C GLN A 51 2.350 -8.008 -1.724 1.00 0.00 C ATOM 743 O GLN A 51 1.414 -8.384 -1.020 1.00 0.00 O ATOM 744 CB GLN A 51 4.273 -9.545 -2.167 1.00 0.00 C ATOM 745 CG GLN A 51 4.762 -10.773 -2.917 1.00 0.00 C ATOM 746 CD GLN A 51 5.592 -11.697 -2.048 1.00 0.00 C ATOM 747 OE1 GLN A 51 6.082 -11.299 -0.991 1.00 0.00 O ATOM 748 NE2 GLN A 51 5.753 -12.939 -2.489 1.00 0.00 N ATOM 0 H GLN A 51 4.263 -8.117 -4.185 1.00 0.00 H new ATOM 0 HA GLN A 51 2.285 -9.752 -2.956 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.055 -8.786 -2.181 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.105 -9.810 -1.123 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.904 -11.321 -3.307 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.356 -10.457 -3.775 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.329 -13.226 -3.371 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.301 -13.606 -1.946 1.00 0.00 H new ATOM 757 N ALA A 52 2.863 -6.784 -1.652 1.00 0.00 N ATOM 758 CA ALA A 52 2.342 -5.790 -0.722 1.00 0.00 C ATOM 759 C ALA A 52 0.905 -5.415 -1.067 1.00 0.00 C ATOM 760 O ALA A 52 -0.001 -5.569 -0.249 1.00 0.00 O ATOM 761 CB ALA A 52 3.227 -4.553 -0.720 1.00 0.00 C ATOM 0 H ALA A 52 3.639 -6.457 -2.227 1.00 0.00 H new ATOM 0 HA ALA A 52 2.346 -6.227 0.277 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.825 -3.819 -0.021 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.237 -4.829 -0.416 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.254 -4.123 -1.721 1.00 0.00 H new ATOM 767 N MET A 53 0.704 -4.921 -2.285 1.00 0.00 N ATOM 768 CA MET A 53 -0.624 -4.524 -2.738 1.00 0.00 C ATOM 769 C MET A 53 -1.684 -5.498 -2.234 1.00 0.00 C ATOM 770 O MET A 53 -2.580 -5.119 -1.479 1.00 0.00 O ATOM 771 CB MET A 53 -0.665 -4.453 -4.266 1.00 0.00 C ATOM 772 CG MET A 53 -0.192 -3.121 -4.825 1.00 0.00 C ATOM 773 SD MET A 53 0.401 -3.251 -6.523 1.00 0.00 S ATOM 774 CE MET A 53 -1.148 -3.278 -7.421 1.00 0.00 C ATOM 0 H MET A 53 1.443 -4.786 -2.975 1.00 0.00 H new ATOM 0 HA MET A 53 -0.840 -3.537 -2.330 1.00 0.00 H new ATOM 0 HB2 MET A 53 -0.045 -5.250 -4.675 1.00 0.00 H new ATOM 0 HB3 MET A 53 -1.685 -4.638 -4.603 1.00 0.00 H new ATOM 0 HG2 MET A 53 -1.011 -2.403 -4.784 1.00 0.00 H new ATOM 0 HG3 MET A 53 0.606 -2.730 -4.194 1.00 0.00 H new ATOM 0 HE1 MET A 53 -1.241 -4.222 -7.957 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.977 -3.175 -6.720 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.170 -2.453 -8.133 1.00 0.00 H new ATOM 784 N SER A 54 -1.577 -6.753 -2.657 1.00 0.00 N ATOM 785 CA SER A 54 -2.529 -7.780 -2.252 1.00 0.00 C ATOM 786 C SER A 54 -2.785 -7.721 -0.749 1.00 0.00 C ATOM 787 O SER A 54 -3.898 -7.971 -0.287 1.00 0.00 O ATOM 788 CB SER A 54 -2.012 -9.167 -2.638 1.00 0.00 C ATOM 789 OG SER A 54 -2.937 -10.177 -2.274 1.00 0.00 O ATOM 0 H SER A 54 -0.840 -7.083 -3.280 1.00 0.00 H new ATOM 0 HA SER A 54 -3.469 -7.593 -2.771 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.832 -9.205 -3.712 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.056 -9.351 -2.148 1.00 0.00 H new ATOM 0 HG SER A 54 -2.583 -11.053 -2.533 1.00 0.00 H new ATOM 795 N ALA A 55 -1.745 -7.389 0.009 1.00 0.00 N ATOM 796 CA ALA A 55 -1.856 -7.295 1.460 1.00 0.00 C ATOM 797 C ALA A 55 -2.800 -6.169 1.866 1.00 0.00 C ATOM 798 O ALA A 55 -3.500 -6.265 2.875 1.00 0.00 O ATOM 799 CB ALA A 55 -0.483 -7.086 2.082 1.00 0.00 C ATOM 0 H ALA A 55 -0.816 -7.181 -0.357 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.271 -8.233 1.830 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.581 -7.018 3.165 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.163 -7.926 1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.046 -6.164 1.698 1.00 0.00 H new ATOM 805 N LEU A 56 -2.814 -5.101 1.076 1.00 0.00 N ATOM 806 CA LEU A 56 -3.672 -3.955 1.354 1.00 0.00 C ATOM 807 C LEU A 56 -5.077 -4.180 0.804 1.00 0.00 C ATOM 808 O LEU A 56 -6.070 -3.839 1.448 1.00 0.00 O ATOM 809 CB LEU A 56 -3.073 -2.685 0.748 1.00 0.00 C ATOM 810 CG LEU A 56 -1.595 -2.431 1.049 1.00 0.00 C ATOM 811 CD1 LEU A 56 -1.050 -1.328 0.155 1.00 0.00 C ATOM 812 CD2 LEU A 56 -1.402 -2.075 2.516 1.00 0.00 C ATOM 0 H LEU A 56 -2.241 -5.005 0.238 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.739 -3.838 2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.201 -2.727 -0.334 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.648 -1.830 1.104 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.040 -3.346 0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.003 -1.161 0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.152 -1.622 -0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.609 -0.409 0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.344 -1.898 2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.970 -1.175 2.750 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.753 -2.897 3.139 1.00 0.00 H new ATOM 824 N LEU A 57 -5.153 -4.757 -0.390 1.00 0.00 N ATOM 825 CA LEU A 57 -6.437 -5.031 -1.027 1.00 0.00 C ATOM 826 C LEU A 57 -7.211 -6.096 -0.257 1.00 0.00 C ATOM 827 O LEU A 57 -8.352 -5.875 0.149 1.00 0.00 O ATOM 828 CB LEU A 57 -6.225 -5.484 -2.473 1.00 0.00 C ATOM 829 CG LEU A 57 -6.107 -4.371 -3.514 1.00 0.00 C ATOM 830 CD1 LEU A 57 -5.343 -4.861 -4.735 1.00 0.00 C ATOM 831 CD2 LEU A 57 -7.485 -3.865 -3.913 1.00 0.00 C ATOM 0 H LEU A 57 -4.341 -5.044 -0.937 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.020 -4.110 -1.023 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.320 -6.090 -2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.055 -6.132 -2.755 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.552 -3.544 -3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.269 -4.055 -5.465 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.342 -5.174 -4.437 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.870 -5.706 -5.179 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.381 -3.073 -4.655 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.065 -4.685 -4.336 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.998 -3.474 -3.034 1.00 0.00 H new ATOM 843 N GLU A 58 -6.582 -7.250 -0.058 1.00 0.00 N ATOM 844 CA GLU A 58 -7.212 -8.348 0.666 1.00 0.00 C ATOM 845 C GLU A 58 -8.097 -7.821 1.791 1.00 0.00 C ATOM 846 O GLU A 58 -9.255 -8.219 1.925 1.00 0.00 O ATOM 847 CB GLU A 58 -6.149 -9.289 1.236 1.00 0.00 C ATOM 848 CG GLU A 58 -5.383 -8.702 2.410 1.00 0.00 C ATOM 849 CD GLU A 58 -4.269 -9.610 2.892 1.00 0.00 C ATOM 850 OE1 GLU A 58 -3.583 -10.213 2.040 1.00 0.00 O ATOM 851 OE2 GLU A 58 -4.082 -9.717 4.122 1.00 0.00 O ATOM 0 H GLU A 58 -5.637 -7.449 -0.388 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.837 -8.901 -0.036 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.628 -10.216 1.552 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.444 -9.548 0.446 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.962 -7.739 2.120 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.074 -8.513 3.232 1.00 0.00 H new ATOM 858 N LYS A 59 -7.545 -6.923 2.600 1.00 0.00 N ATOM 859 CA LYS A 59 -8.282 -6.339 3.714 1.00 0.00 C ATOM 860 C LYS A 59 -9.751 -6.147 3.353 1.00 0.00 C ATOM 861 O LYS A 59 -10.632 -6.788 3.928 1.00 0.00 O ATOM 862 CB LYS A 59 -7.664 -4.998 4.114 1.00 0.00 C ATOM 863 CG LYS A 59 -6.276 -5.123 4.719 1.00 0.00 C ATOM 864 CD LYS A 59 -5.488 -3.832 4.578 1.00 0.00 C ATOM 865 CE LYS A 59 -5.745 -2.892 5.746 1.00 0.00 C ATOM 866 NZ LYS A 59 -5.082 -1.573 5.552 1.00 0.00 N ATOM 0 H LYS A 59 -6.588 -6.583 2.504 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.221 -7.026 4.558 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.611 -4.355 3.235 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.320 -4.505 4.831 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.360 -5.386 5.774 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.737 -5.935 4.230 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.423 -4.059 4.519 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.760 -3.338 3.645 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.819 -2.745 5.865 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.382 -3.349 6.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.281 -0.961 6.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.055 -1.710 5.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.447 -1.125 4.687 1.00 0.00 H new ATOM 880 N LYS A 60 -10.010 -5.262 2.397 1.00 0.00 N ATOM 881 CA LYS A 60 -11.372 -4.986 1.956 1.00 0.00 C ATOM 882 C LYS A 60 -11.536 -5.291 0.471 1.00 0.00 C ATOM 883 O LYS A 60 -10.622 -5.066 -0.324 1.00 0.00 O ATOM 884 CB LYS A 60 -11.733 -3.524 2.231 1.00 0.00 C ATOM 885 CG LYS A 60 -11.012 -2.540 1.326 1.00 0.00 C ATOM 886 CD LYS A 60 -11.601 -1.144 1.440 1.00 0.00 C ATOM 887 CE LYS A 60 -12.749 -0.942 0.463 1.00 0.00 C ATOM 888 NZ LYS A 60 -13.095 0.498 0.304 1.00 0.00 N ATOM 0 H LYS A 60 -9.293 -4.723 1.912 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.047 -5.632 2.518 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.809 -3.395 2.110 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.498 -3.289 3.269 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.954 -2.512 1.587 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.077 -2.880 0.292 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.955 -0.979 2.458 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.824 -0.404 1.249 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.478 -1.360 -0.507 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.624 -1.489 0.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.882 0.594 -0.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -13.378 0.891 1.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.268 1.016 -0.054 1.00 0.00 H new ATOM 902 N VAL A 61 -12.706 -5.803 0.102 1.00 0.00 N ATOM 903 CA VAL A 61 -12.990 -6.136 -1.289 1.00 0.00 C ATOM 904 C VAL A 61 -13.431 -4.903 -2.070 1.00 0.00 C ATOM 905 O VAL A 61 -14.469 -4.309 -1.779 1.00 0.00 O ATOM 906 CB VAL A 61 -14.083 -7.216 -1.396 1.00 0.00 C ATOM 907 CG1 VAL A 61 -14.453 -7.460 -2.851 1.00 0.00 C ATOM 908 CG2 VAL A 61 -13.624 -8.505 -0.730 1.00 0.00 C ATOM 0 H VAL A 61 -13.472 -5.996 0.747 1.00 0.00 H new ATOM 0 HA VAL A 61 -12.065 -6.522 -1.717 1.00 0.00 H new ATOM 0 HB VAL A 61 -14.972 -6.861 -0.875 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -15.226 -8.226 -2.906 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -14.826 -6.535 -3.292 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.572 -7.794 -3.399 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -14.408 -9.257 -0.815 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -12.720 -8.866 -1.220 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -13.415 -8.316 0.323 1.00 0.00 H new ATOM 918 N ASP A 62 -12.636 -4.524 -3.065 1.00 0.00 N ATOM 919 CA ASP A 62 -12.945 -3.362 -3.890 1.00 0.00 C ATOM 920 C ASP A 62 -12.573 -3.617 -5.348 1.00 0.00 C ATOM 921 O ASP A 62 -11.990 -4.649 -5.679 1.00 0.00 O ATOM 922 CB ASP A 62 -12.205 -2.129 -3.370 1.00 0.00 C ATOM 923 CG ASP A 62 -10.821 -1.987 -3.974 1.00 0.00 C ATOM 924 OD1 ASP A 62 -10.729 -1.635 -5.168 1.00 0.00 O ATOM 925 OD2 ASP A 62 -9.831 -2.228 -3.252 1.00 0.00 O ATOM 0 H ASP A 62 -11.773 -5.005 -3.320 1.00 0.00 H new ATOM 0 HA ASP A 62 -14.019 -3.182 -3.833 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -12.789 -1.237 -3.594 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -12.120 -2.190 -2.285 1.00 0.00 H new ATOM 930 N VAL A 63 -12.915 -2.669 -6.215 1.00 0.00 N ATOM 931 CA VAL A 63 -12.617 -2.791 -7.637 1.00 0.00 C ATOM 932 C VAL A 63 -11.791 -1.608 -8.128 1.00 0.00 C ATOM 933 O VAL A 63 -12.274 -0.477 -8.177 1.00 0.00 O ATOM 934 CB VAL A 63 -13.907 -2.885 -8.474 1.00 0.00 C ATOM 935 CG1 VAL A 63 -14.769 -1.649 -8.268 1.00 0.00 C ATOM 936 CG2 VAL A 63 -13.573 -3.072 -9.946 1.00 0.00 C ATOM 0 H VAL A 63 -13.398 -1.809 -5.957 1.00 0.00 H new ATOM 0 HA VAL A 63 -12.043 -3.709 -7.763 1.00 0.00 H new ATOM 0 HB VAL A 63 -14.474 -3.754 -8.140 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -15.676 -1.734 -8.867 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -15.037 -1.564 -7.215 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -14.213 -0.763 -8.574 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -14.495 -3.137 -10.523 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -12.985 -2.224 -10.296 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -12.999 -3.990 -10.075 1.00 0.00 H new ATOM 946 N ASP A 64 -10.542 -1.876 -8.492 1.00 0.00 N ATOM 947 CA ASP A 64 -9.647 -0.834 -8.982 1.00 0.00 C ATOM 948 C ASP A 64 -8.845 -1.326 -10.183 1.00 0.00 C ATOM 949 O ASP A 64 -8.816 -2.522 -10.476 1.00 0.00 O ATOM 950 CB ASP A 64 -8.698 -0.383 -7.870 1.00 0.00 C ATOM 951 CG ASP A 64 -8.210 -1.540 -7.021 1.00 0.00 C ATOM 952 OD1 ASP A 64 -8.020 -2.644 -7.574 1.00 0.00 O ATOM 953 OD2 ASP A 64 -8.017 -1.342 -5.803 1.00 0.00 O ATOM 0 H ASP A 64 -10.126 -2.807 -8.457 1.00 0.00 H new ATOM 0 HA ASP A 64 -10.255 0.014 -9.297 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.842 0.126 -8.312 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -9.207 0.341 -7.234 1.00 0.00 H new ATOM 958 N LYS A 65 -8.197 -0.397 -10.876 1.00 0.00 N ATOM 959 CA LYS A 65 -7.395 -0.734 -12.046 1.00 0.00 C ATOM 960 C LYS A 65 -6.021 -0.076 -11.971 1.00 0.00 C ATOM 961 O LYS A 65 -5.912 1.146 -11.874 1.00 0.00 O ATOM 962 CB LYS A 65 -8.112 -0.298 -13.325 1.00 0.00 C ATOM 963 CG LYS A 65 -7.416 -0.749 -14.597 1.00 0.00 C ATOM 964 CD LYS A 65 -7.937 -0.003 -15.813 1.00 0.00 C ATOM 965 CE LYS A 65 -9.188 -0.659 -16.376 1.00 0.00 C ATOM 966 NZ LYS A 65 -10.424 -0.156 -15.714 1.00 0.00 N ATOM 0 H LYS A 65 -8.211 0.597 -10.647 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.260 -1.816 -12.064 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.127 -0.695 -13.316 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.195 0.789 -13.332 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.342 -0.587 -14.502 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.566 -1.820 -14.734 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.157 1.029 -15.541 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.164 0.028 -16.581 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.247 -0.469 -17.448 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.121 -1.739 -16.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.991 -0.961 -15.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.165 0.445 -14.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.981 0.400 -16.394 1.00 0.00 H new ATOM 980 N ARG A 66 -4.974 -0.894 -12.019 1.00 0.00 N ATOM 981 CA ARG A 66 -3.607 -0.391 -11.957 1.00 0.00 C ATOM 982 C ARG A 66 -3.207 0.260 -13.278 1.00 0.00 C ATOM 983 O ARG A 66 -3.955 0.217 -14.255 1.00 0.00 O ATOM 984 CB ARG A 66 -2.638 -1.526 -11.622 1.00 0.00 C ATOM 985 CG ARG A 66 -2.656 -2.661 -12.632 1.00 0.00 C ATOM 986 CD ARG A 66 -1.835 -2.322 -13.866 1.00 0.00 C ATOM 987 NE ARG A 66 -1.547 -3.504 -14.674 1.00 0.00 N ATOM 988 CZ ARG A 66 -0.739 -3.494 -15.729 1.00 0.00 C ATOM 989 NH1 ARG A 66 -0.142 -2.370 -16.100 1.00 0.00 N ATOM 990 NH2 ARG A 66 -0.527 -4.611 -16.413 1.00 0.00 N ATOM 0 H ARG A 66 -5.047 -1.908 -12.101 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.559 0.362 -11.171 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.627 -1.123 -11.560 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.884 -1.923 -10.637 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.263 -3.567 -12.170 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.684 -2.873 -12.925 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.374 -1.592 -14.470 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.899 -1.854 -13.561 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.990 -4.385 -14.414 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.302 -1.510 -15.575 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.478 -2.365 -16.910 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.984 -5.477 -16.129 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.093 -4.603 -17.223 1.00 0.00 H new ATOM 1004 N GLY A 67 -2.023 0.865 -13.300 1.00 0.00 N ATOM 1005 CA GLY A 67 -1.545 1.517 -14.505 1.00 0.00 C ATOM 1006 C GLY A 67 -0.212 2.209 -14.300 1.00 0.00 C ATOM 1007 O GLY A 67 -0.033 3.359 -14.704 1.00 0.00 O ATOM 0 H GLY A 67 -1.386 0.915 -12.505 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.449 0.778 -15.300 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.283 2.248 -14.836 1.00 0.00 H new ATOM 1011 N LEU A 68 0.725 1.510 -13.669 1.00 0.00 N ATOM 1012 CA LEU A 68 2.048 2.065 -13.409 1.00 0.00 C ATOM 1013 C LEU A 68 2.954 1.908 -14.626 1.00 0.00 C ATOM 1014 O LEU A 68 3.167 0.799 -15.115 1.00 0.00 O ATOM 1015 CB LEU A 68 2.681 1.380 -12.196 1.00 0.00 C ATOM 1016 CG LEU A 68 4.108 1.809 -11.852 1.00 0.00 C ATOM 1017 CD1 LEU A 68 4.114 3.204 -11.245 1.00 0.00 C ATOM 1018 CD2 LEU A 68 4.751 0.809 -10.902 1.00 0.00 C ATOM 0 H LEU A 68 0.593 0.558 -13.328 1.00 0.00 H new ATOM 0 HA LEU A 68 1.933 3.129 -13.199 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.048 1.565 -11.328 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.678 0.304 -12.369 1.00 0.00 H new ATOM 0 HG LEU A 68 4.692 1.833 -12.772 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.138 3.493 -11.007 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.694 3.913 -11.958 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.515 3.207 -10.335 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.766 1.130 -10.668 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.167 0.753 -9.983 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.781 -0.173 -11.373 1.00 0.00 H new ATOM 1030 N GLY A 69 3.486 3.026 -15.110 1.00 0.00 N ATOM 1031 CA GLY A 69 4.364 2.990 -16.265 1.00 0.00 C ATOM 1032 C GLY A 69 3.610 2.767 -17.560 1.00 0.00 C ATOM 1033 O GLY A 69 2.385 2.882 -17.601 1.00 0.00 O ATOM 0 H GLY A 69 3.325 3.956 -14.723 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.916 3.928 -16.327 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.098 2.195 -16.134 1.00 0.00 H new ATOM 1037 N VAL A 70 4.342 2.449 -18.623 1.00 0.00 N ATOM 1038 CA VAL A 70 3.734 2.209 -19.927 1.00 0.00 C ATOM 1039 C VAL A 70 3.867 0.747 -20.334 1.00 0.00 C ATOM 1040 O VAL A 70 2.872 0.071 -20.599 1.00 0.00 O ATOM 1041 CB VAL A 70 4.373 3.094 -21.014 1.00 0.00 C ATOM 1042 CG1 VAL A 70 3.655 2.909 -22.342 1.00 0.00 C ATOM 1043 CG2 VAL A 70 4.357 4.555 -20.589 1.00 0.00 C ATOM 0 H VAL A 70 5.357 2.352 -18.607 1.00 0.00 H new ATOM 0 HA VAL A 70 2.678 2.463 -19.836 1.00 0.00 H new ATOM 0 HB VAL A 70 5.411 2.789 -21.143 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.120 3.542 -23.098 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.723 1.866 -22.650 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.607 3.187 -22.231 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.812 5.166 -21.369 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.328 4.877 -20.431 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.920 4.671 -19.663 1.00 0.00 H new ATOM 1053 N THR A 71 5.104 0.261 -20.383 1.00 0.00 N ATOM 1054 CA THR A 71 5.367 -1.122 -20.759 1.00 0.00 C ATOM 1055 C THR A 71 4.384 -1.600 -21.822 1.00 0.00 C ATOM 1056 O THR A 71 3.828 -2.694 -21.720 1.00 0.00 O ATOM 1057 CB THR A 71 5.285 -2.061 -19.541 1.00 0.00 C ATOM 1058 OG1 THR A 71 3.982 -1.987 -18.952 1.00 0.00 O ATOM 1059 CG2 THR A 71 6.337 -1.697 -18.505 1.00 0.00 C ATOM 0 H THR A 71 5.939 0.805 -20.167 1.00 0.00 H new ATOM 0 HA THR A 71 6.379 -1.152 -21.164 1.00 0.00 H new ATOM 0 HB THR A 71 5.472 -3.079 -19.882 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.938 -2.588 -18.179 1.00 0.00 H new ATOM 0 HG21 THR A 71 6.259 -2.374 -17.654 1.00 0.00 H new ATOM 0 HG22 THR A 71 7.329 -1.783 -18.948 1.00 0.00 H new ATOM 0 HG23 THR A 71 6.178 -0.672 -18.169 1.00 0.00 H new ATOM 1067 N ASP A 72 4.175 -0.774 -22.841 1.00 0.00 N ATOM 1068 CA ASP A 72 3.259 -1.114 -23.924 1.00 0.00 C ATOM 1069 C ASP A 72 3.792 -2.289 -24.738 1.00 0.00 C ATOM 1070 O ASP A 72 4.921 -2.256 -25.230 1.00 0.00 O ATOM 1071 CB ASP A 72 3.042 0.096 -24.835 1.00 0.00 C ATOM 1072 CG ASP A 72 2.099 1.116 -24.227 1.00 0.00 C ATOM 1073 OD1 ASP A 72 1.273 0.726 -23.376 1.00 0.00 O ATOM 1074 OD2 ASP A 72 2.187 2.303 -24.603 1.00 0.00 O ATOM 0 H ASP A 72 4.627 0.135 -22.940 1.00 0.00 H new ATOM 0 HA ASP A 72 2.305 -1.404 -23.483 1.00 0.00 H new ATOM 0 HB2 ASP A 72 4.002 0.570 -25.040 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.642 -0.240 -25.792 1.00 0.00 H new ATOM 1079 N HIS A 73 2.974 -3.327 -24.875 1.00 0.00 N ATOM 1080 CA HIS A 73 3.363 -4.514 -25.629 1.00 0.00 C ATOM 1081 C HIS A 73 2.708 -4.521 -27.007 1.00 0.00 C ATOM 1082 O HIS A 73 1.676 -5.160 -27.211 1.00 0.00 O ATOM 1083 CB HIS A 73 2.979 -5.779 -24.862 1.00 0.00 C ATOM 1084 CG HIS A 73 3.751 -6.992 -25.283 1.00 0.00 C ATOM 1085 ND1 HIS A 73 5.126 -7.013 -25.380 1.00 0.00 N ATOM 1086 CD2 HIS A 73 3.332 -8.231 -25.633 1.00 0.00 C ATOM 1087 CE1 HIS A 73 5.520 -8.211 -25.772 1.00 0.00 C ATOM 1088 NE2 HIS A 73 4.450 -8.969 -25.933 1.00 0.00 N ATOM 0 H HIS A 73 2.037 -3.371 -24.474 1.00 0.00 H new ATOM 0 HA HIS A 73 4.445 -4.493 -25.761 1.00 0.00 H new ATOM 0 HB2 HIS A 73 3.136 -5.610 -23.797 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.915 -5.969 -25.001 1.00 0.00 H new ATOM 0 HD2 HIS A 73 2.309 -8.575 -25.669 1.00 0.00 H new ATOM 0 HE1 HIS A 73 6.543 -8.519 -25.933 1.00 0.00 H new ATOM 0 HE2 HIS A 73 4.454 -9.944 -26.232 1.00 0.00 H new ATOM 1097 N ASN A 74 3.314 -3.806 -27.949 1.00 0.00 N ATOM 1098 CA ASN A 74 2.789 -3.730 -29.307 1.00 0.00 C ATOM 1099 C ASN A 74 3.874 -4.052 -30.330 1.00 0.00 C ATOM 1100 O ASN A 74 5.064 -3.901 -30.056 1.00 0.00 O ATOM 1101 CB ASN A 74 2.216 -2.337 -29.577 1.00 0.00 C ATOM 1102 CG ASN A 74 0.906 -2.100 -28.851 1.00 0.00 C ATOM 1103 OD1 ASN A 74 0.413 -2.972 -28.135 1.00 0.00 O ATOM 1104 ND2 ASN A 74 0.335 -0.914 -29.032 1.00 0.00 N ATOM 0 H ASN A 74 4.169 -3.271 -27.797 1.00 0.00 H new ATOM 0 HA ASN A 74 1.993 -4.469 -29.403 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.941 -1.583 -29.269 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.062 -2.212 -30.649 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -0.547 -0.697 -28.569 1.00 0.00 H new ATOM 0 HD22 ASN A 74 0.779 -0.221 -29.634 1.00 0.00 H new ATOM 1111 N GLY A 75 3.455 -4.498 -31.510 1.00 0.00 N ATOM 1112 CA GLY A 75 4.403 -4.834 -32.556 1.00 0.00 C ATOM 1113 C GLY A 75 5.370 -5.922 -32.133 1.00 0.00 C ATOM 1114 O GLY A 75 6.581 -5.707 -32.102 1.00 0.00 O ATOM 0 H GLY A 75 2.475 -4.633 -31.760 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.860 -5.159 -33.443 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.964 -3.942 -32.835 1.00 0.00 H new ATOM 1118 N MET A 76 4.835 -7.093 -31.806 1.00 0.00 N ATOM 1119 CA MET A 76 5.660 -8.219 -31.382 1.00 0.00 C ATOM 1120 C MET A 76 6.067 -9.075 -32.577 1.00 0.00 C ATOM 1121 O MET A 76 5.461 -10.112 -32.844 1.00 0.00 O ATOM 1122 CB MET A 76 4.908 -9.074 -30.360 1.00 0.00 C ATOM 1123 CG MET A 76 3.481 -9.399 -30.771 1.00 0.00 C ATOM 1124 SD MET A 76 2.914 -10.981 -30.119 1.00 0.00 S ATOM 1125 CE MET A 76 1.171 -10.642 -29.879 1.00 0.00 C ATOM 0 H MET A 76 3.834 -7.288 -31.826 1.00 0.00 H new ATOM 0 HA MET A 76 6.563 -7.821 -30.918 1.00 0.00 H new ATOM 0 HB2 MET A 76 5.454 -10.005 -30.206 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.892 -8.552 -29.403 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.817 -8.608 -30.422 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.415 -9.414 -31.859 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.680 -11.529 -29.478 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.054 -9.815 -29.179 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.717 -10.376 -30.834 1.00 0.00 H new ATOM 1135 N ALA A 77 7.096 -8.633 -33.293 1.00 0.00 N ATOM 1136 CA ALA A 77 7.584 -9.360 -34.458 1.00 0.00 C ATOM 1137 C ALA A 77 8.906 -8.782 -34.951 1.00 0.00 C ATOM 1138 O ALA A 77 9.390 -7.779 -34.427 1.00 0.00 O ATOM 1139 CB ALA A 77 6.546 -9.332 -35.570 1.00 0.00 C ATOM 0 H ALA A 77 7.607 -7.775 -33.086 1.00 0.00 H new ATOM 0 HA ALA A 77 7.757 -10.395 -34.164 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.924 -9.879 -36.434 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.625 -9.798 -35.220 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.345 -8.299 -35.854 1.00 0.00 H new ATOM 1145 N ALA A 78 9.487 -9.422 -35.961 1.00 0.00 N ATOM 1146 CA ALA A 78 10.753 -8.971 -36.525 1.00 0.00 C ATOM 1147 C ALA A 78 11.045 -9.671 -37.848 1.00 0.00 C ATOM 1148 O ALA A 78 10.649 -10.818 -38.056 1.00 0.00 O ATOM 1149 CB ALA A 78 11.886 -9.210 -35.537 1.00 0.00 C ATOM 0 H ALA A 78 9.100 -10.255 -36.405 1.00 0.00 H new ATOM 0 HA ALA A 78 10.675 -7.901 -36.720 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.826 -8.869 -35.971 1.00 0.00 H new ATOM 0 HB2 ALA A 78 11.690 -8.658 -34.618 1.00 0.00 H new ATOM 0 HB3 ALA A 78 11.955 -10.275 -35.313 1.00 0.00 H new ATOM 1155 N LYS A 79 11.740 -8.973 -38.740 1.00 0.00 N ATOM 1156 CA LYS A 79 12.086 -9.527 -40.043 1.00 0.00 C ATOM 1157 C LYS A 79 13.577 -9.367 -40.324 1.00 0.00 C ATOM 1158 O LYS A 79 14.117 -8.263 -40.249 1.00 0.00 O ATOM 1159 CB LYS A 79 11.273 -8.842 -41.144 1.00 0.00 C ATOM 1160 CG LYS A 79 11.488 -9.443 -42.522 1.00 0.00 C ATOM 1161 CD LYS A 79 12.796 -8.975 -43.137 1.00 0.00 C ATOM 1162 CE LYS A 79 12.830 -9.230 -44.636 1.00 0.00 C ATOM 1163 NZ LYS A 79 12.985 -10.678 -44.949 1.00 0.00 N ATOM 0 H LYS A 79 12.075 -8.022 -38.584 1.00 0.00 H new ATOM 0 HA LYS A 79 11.848 -10.591 -40.032 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.214 -8.901 -40.892 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.535 -7.784 -41.173 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.488 -10.531 -42.450 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.659 -9.167 -43.174 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.929 -7.910 -42.945 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.629 -9.492 -42.660 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.911 -8.857 -45.089 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.654 -8.672 -45.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.190 -10.794 -45.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.768 -11.072 -44.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.105 -11.180 -44.714 1.00 0.00 H new ATOM 1177 N SER A 80 14.236 -10.474 -40.649 1.00 0.00 N ATOM 1178 CA SER A 80 15.665 -10.457 -40.939 1.00 0.00 C ATOM 1179 C SER A 80 15.921 -10.683 -42.426 1.00 0.00 C ATOM 1180 O SER A 80 15.429 -11.646 -43.012 1.00 0.00 O ATOM 1181 CB SER A 80 16.387 -11.526 -40.117 1.00 0.00 C ATOM 1182 OG SER A 80 16.160 -12.819 -40.650 1.00 0.00 O ATOM 0 H SER A 80 13.803 -11.395 -40.718 1.00 0.00 H new ATOM 0 HA SER A 80 16.054 -9.476 -40.667 1.00 0.00 H new ATOM 0 HB2 SER A 80 17.457 -11.318 -40.103 1.00 0.00 H new ATOM 0 HB3 SER A 80 16.042 -11.489 -39.084 1.00 0.00 H new ATOM 0 HG SER A 80 15.765 -12.740 -41.544 1.00 0.00 H new ATOM 1188 N GLY A 81 16.695 -9.787 -43.030 1.00 0.00 N ATOM 1189 CA GLY A 81 17.003 -9.906 -44.443 1.00 0.00 C ATOM 1190 C GLY A 81 17.608 -8.638 -45.013 1.00 0.00 C ATOM 1191 O GLY A 81 16.921 -7.815 -45.619 1.00 0.00 O ATOM 0 H GLY A 81 17.114 -8.981 -42.566 1.00 0.00 H new ATOM 0 HA2 GLY A 81 17.696 -10.734 -44.592 1.00 0.00 H new ATOM 0 HA3 GLY A 81 16.093 -10.149 -44.991 1.00 0.00 H new ATOM 1195 N PRO A 82 18.924 -8.465 -44.819 1.00 0.00 N ATOM 1196 CA PRO A 82 19.649 -7.290 -45.309 1.00 0.00 C ATOM 1197 C PRO A 82 19.773 -7.278 -46.829 1.00 0.00 C ATOM 1198 O PRO A 82 20.598 -7.991 -47.400 1.00 0.00 O ATOM 1199 CB PRO A 82 21.029 -7.429 -44.661 1.00 0.00 C ATOM 1200 CG PRO A 82 21.184 -8.889 -44.409 1.00 0.00 C ATOM 1201 CD PRO A 82 19.805 -9.405 -44.105 1.00 0.00 C ATOM 0 HA PRO A 82 19.137 -6.361 -45.058 1.00 0.00 H new ATOM 0 HB2 PRO A 82 21.814 -7.055 -45.318 1.00 0.00 H new ATOM 0 HB3 PRO A 82 21.090 -6.859 -43.734 1.00 0.00 H new ATOM 0 HG2 PRO A 82 21.606 -9.393 -45.279 1.00 0.00 H new ATOM 0 HG3 PRO A 82 21.862 -9.071 -43.575 1.00 0.00 H new ATOM 0 HD2 PRO A 82 19.672 -10.428 -44.458 1.00 0.00 H new ATOM 0 HD3 PRO A 82 19.604 -9.409 -43.034 1.00 0.00 H new ATOM 1209 N SER A 83 18.948 -6.463 -47.479 1.00 0.00 N ATOM 1210 CA SER A 83 18.963 -6.361 -48.933 1.00 0.00 C ATOM 1211 C SER A 83 20.310 -5.841 -49.427 1.00 0.00 C ATOM 1212 O SER A 83 21.088 -5.273 -48.661 1.00 0.00 O ATOM 1213 CB SER A 83 17.841 -5.437 -49.413 1.00 0.00 C ATOM 1214 OG SER A 83 17.640 -5.562 -50.810 1.00 0.00 O ATOM 0 H SER A 83 18.261 -5.864 -47.021 1.00 0.00 H new ATOM 0 HA SER A 83 18.804 -7.358 -49.344 1.00 0.00 H new ATOM 0 HB2 SER A 83 16.917 -5.678 -48.887 1.00 0.00 H new ATOM 0 HB3 SER A 83 18.087 -4.404 -49.169 1.00 0.00 H new ATOM 0 HG SER A 83 16.917 -4.963 -51.091 1.00 0.00 H new ATOM 1220 N SER A 84 20.579 -6.042 -50.714 1.00 0.00 N ATOM 1221 CA SER A 84 21.833 -5.598 -51.311 1.00 0.00 C ATOM 1222 C SER A 84 21.573 -4.714 -52.527 1.00 0.00 C ATOM 1223 O SER A 84 22.239 -3.699 -52.724 1.00 0.00 O ATOM 1224 CB SER A 84 22.684 -6.803 -51.715 1.00 0.00 C ATOM 1225 OG SER A 84 23.941 -6.392 -52.224 1.00 0.00 O ATOM 0 H SER A 84 19.945 -6.509 -51.362 1.00 0.00 H new ATOM 0 HA SER A 84 22.374 -5.013 -50.567 1.00 0.00 H new ATOM 0 HB2 SER A 84 22.832 -7.453 -50.853 1.00 0.00 H new ATOM 0 HB3 SER A 84 22.157 -7.388 -52.468 1.00 0.00 H new ATOM 0 HG SER A 84 24.467 -7.181 -52.474 1.00 0.00 H new ATOM 1231 N GLY A 85 20.598 -5.109 -53.340 1.00 0.00 N ATOM 1232 CA GLY A 85 20.266 -4.342 -54.527 1.00 0.00 C ATOM 1233 C GLY A 85 20.616 -5.075 -55.807 1.00 0.00 C ATOM 1234 O GLY A 85 19.914 -6.002 -56.211 1.00 0.00 O ATOM 0 H GLY A 85 20.032 -5.946 -53.198 1.00 0.00 H new ATOM 0 HA2 GLY A 85 19.200 -4.114 -54.522 1.00 0.00 H new ATOM 0 HA3 GLY A 85 20.796 -3.390 -54.501 1.00 0.00 H new TER 1238 GLY A 85