USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 534 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 MET CE :methyl 158:sc= -0.763 (180deg=-0.913) USER MOD Single : A 9 LYS NZ :NH3+ 148:sc= -0.573 (180deg=-2.26!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -4:sc= 1.1 USER MOD Single : A 22 SER OG : rot 180:sc= 0.0507 USER MOD Single : A 25 THR OG1 : rot 49:sc= -1.22 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -150:sc= -0.193 USER MOD Single : A 34 THR OG1 : rot -45:sc= 0.896 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN :FLIP amide:sc=-0.00483 F(o=-0.57,f=-0.0048) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -151:sc= -3.75! (180deg=-5.73!) USER MOD Single : A 48 THR OG1 : rot -28:sc= 0.092 USER MOD Single : A 57 ASN : amide:sc= -0.444 X(o=-0.44,f=-0.13) USER MOD Single : A 61 SER OG : rot 79:sc= 0.0131 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= -0.0773 X(o=-0.077,f=0) USER MOD Single : A 70 MET CE :methyl 164:sc= 0 (180deg=-0.165) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 23 N ASP A 3 3.664 -4.970 -5.009 1.00 0.00 N ATOM 24 CA ASP A 3 4.348 -4.643 -6.255 1.00 0.00 C ATOM 25 C ASP A 3 3.347 -4.471 -7.394 1.00 0.00 C ATOM 26 O ASP A 3 3.548 -3.652 -8.291 1.00 0.00 O ATOM 27 CB ASP A 3 5.359 -5.735 -6.608 1.00 0.00 C ATOM 28 CG ASP A 3 6.629 -5.636 -5.786 1.00 0.00 C ATOM 29 OD1 ASP A 3 7.485 -4.789 -6.116 1.00 0.00 O ATOM 30 OD2 ASP A 3 6.765 -6.405 -4.812 1.00 0.00 O ATOM 0 HA ASP A 3 4.878 -3.701 -6.115 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.903 -6.713 -6.451 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.609 -5.666 -7.667 1.00 0.00 H new ATOM 35 N MET A 4 2.271 -5.250 -7.353 1.00 0.00 N ATOM 36 CA MET A 4 1.240 -5.183 -8.382 1.00 0.00 C ATOM 37 C MET A 4 0.852 -3.736 -8.670 1.00 0.00 C ATOM 38 O MET A 4 0.706 -3.342 -9.826 1.00 0.00 O ATOM 39 CB MET A 4 0.006 -5.978 -7.950 1.00 0.00 C ATOM 40 CG MET A 4 0.131 -7.473 -8.192 1.00 0.00 C ATOM 41 SD MET A 4 -0.558 -7.979 -9.780 1.00 0.00 S ATOM 42 CE MET A 4 0.937 -8.328 -10.702 1.00 0.00 C ATOM 0 H MET A 4 2.090 -5.935 -6.619 1.00 0.00 H new ATOM 0 HA MET A 4 1.644 -5.621 -9.295 1.00 0.00 H new ATOM 0 HB2 MET A 4 -0.175 -5.804 -6.889 1.00 0.00 H new ATOM 0 HB3 MET A 4 -0.865 -5.603 -8.488 1.00 0.00 H new ATOM 0 HG2 MET A 4 1.182 -7.757 -8.149 1.00 0.00 H new ATOM 0 HG3 MET A 4 -0.378 -8.011 -7.392 1.00 0.00 H new ATOM 0 HE1 MET A 4 0.706 -9.001 -11.528 1.00 0.00 H new ATOM 0 HE2 MET A 4 1.348 -7.398 -11.095 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.668 -8.798 -10.045 1.00 0.00 H new ATOM 52 N GLU A 5 0.686 -2.950 -7.610 1.00 0.00 N ATOM 53 CA GLU A 5 0.314 -1.547 -7.751 1.00 0.00 C ATOM 54 C GLU A 5 1.245 -0.833 -8.727 1.00 0.00 C ATOM 55 O GLU A 5 0.792 -0.160 -9.653 1.00 0.00 O ATOM 56 CB GLU A 5 0.350 -0.848 -6.390 1.00 0.00 C ATOM 57 CG GLU A 5 -0.967 -0.195 -6.007 1.00 0.00 C ATOM 58 CD GLU A 5 -1.360 -0.474 -4.569 1.00 0.00 C ATOM 59 OE1 GLU A 5 -0.818 0.196 -3.666 1.00 0.00 O ATOM 60 OE2 GLU A 5 -2.209 -1.363 -4.348 1.00 0.00 O ATOM 0 H GLU A 5 0.803 -3.261 -6.646 1.00 0.00 H new ATOM 0 HA GLU A 5 -0.701 -1.504 -8.147 1.00 0.00 H new ATOM 0 HB2 GLU A 5 0.622 -1.575 -5.625 1.00 0.00 H new ATOM 0 HB3 GLU A 5 1.133 -0.089 -6.401 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.891 0.882 -6.157 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.753 -0.555 -6.671 1.00 0.00 H new ATOM 67 N ARG A 6 2.547 -0.984 -8.511 1.00 0.00 N ATOM 68 CA ARG A 6 3.542 -0.352 -9.369 1.00 0.00 C ATOM 69 C ARG A 6 3.262 -0.654 -10.839 1.00 0.00 C ATOM 70 O ARG A 6 3.034 0.256 -11.637 1.00 0.00 O ATOM 71 CB ARG A 6 4.946 -0.832 -8.997 1.00 0.00 C ATOM 72 CG ARG A 6 5.449 -0.275 -7.675 1.00 0.00 C ATOM 73 CD ARG A 6 5.805 1.199 -7.790 1.00 0.00 C ATOM 74 NE ARG A 6 6.737 1.620 -6.748 1.00 0.00 N ATOM 75 CZ ARG A 6 6.396 1.767 -5.473 1.00 0.00 C ATOM 76 NH1 ARG A 6 5.151 1.529 -5.084 1.00 0.00 N ATOM 77 NH2 ARG A 6 7.302 2.154 -4.583 1.00 0.00 N ATOM 0 H ARG A 6 2.938 -1.538 -7.749 1.00 0.00 H new ATOM 0 HA ARG A 6 3.483 0.726 -9.219 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.947 -1.921 -8.947 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.640 -0.548 -9.789 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.685 -0.407 -6.909 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.325 -0.838 -7.352 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.245 1.390 -8.769 1.00 0.00 H new ATOM 0 HD3 ARG A 6 4.896 1.797 -7.727 1.00 0.00 H new ATOM 0 HE ARG A 6 7.703 1.812 -7.014 1.00 0.00 H new ATOM 0 HH11 ARG A 6 4.452 1.232 -5.765 1.00 0.00 H new ATOM 0 HH12 ARG A 6 4.892 1.643 -4.104 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.261 2.339 -4.878 1.00 0.00 H new ATOM 0 HH22 ARG A 6 7.039 2.267 -3.604 1.00 0.00 H new ATOM 91 N ILE A 7 3.282 -1.936 -11.188 1.00 0.00 N ATOM 92 CA ILE A 7 3.031 -2.357 -12.561 1.00 0.00 C ATOM 93 C ILE A 7 1.697 -1.816 -13.066 1.00 0.00 C ATOM 94 O ILE A 7 1.614 -1.265 -14.164 1.00 0.00 O ATOM 95 CB ILE A 7 3.031 -3.892 -12.688 1.00 0.00 C ATOM 96 CG1 ILE A 7 4.292 -4.478 -12.049 1.00 0.00 C ATOM 97 CG2 ILE A 7 2.930 -4.302 -14.149 1.00 0.00 C ATOM 98 CD1 ILE A 7 4.042 -5.133 -10.709 1.00 0.00 C ATOM 0 H ILE A 7 3.469 -2.701 -10.539 1.00 0.00 H new ATOM 0 HA ILE A 7 3.839 -1.951 -13.169 1.00 0.00 H new ATOM 0 HB ILE A 7 2.163 -4.286 -12.160 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.726 -5.212 -12.728 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.029 -3.684 -11.925 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.931 -5.390 -14.223 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.006 -3.911 -14.574 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.781 -3.900 -14.699 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.980 -5.526 -10.315 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.637 -4.397 -10.014 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.329 -5.949 -10.830 1.00 0.00 H new ATOM 110 N PHE A 8 0.655 -1.976 -12.256 1.00 0.00 N ATOM 111 CA PHE A 8 -0.675 -1.503 -12.620 1.00 0.00 C ATOM 112 C PHE A 8 -0.638 -0.032 -13.024 1.00 0.00 C ATOM 113 O PHE A 8 -1.233 0.364 -14.027 1.00 0.00 O ATOM 114 CB PHE A 8 -1.646 -1.699 -11.454 1.00 0.00 C ATOM 115 CG PHE A 8 -2.995 -1.083 -11.687 1.00 0.00 C ATOM 116 CD1 PHE A 8 -3.933 -1.716 -12.487 1.00 0.00 C ATOM 117 CD2 PHE A 8 -3.327 0.131 -11.107 1.00 0.00 C ATOM 118 CE1 PHE A 8 -5.175 -1.152 -12.704 1.00 0.00 C ATOM 119 CE2 PHE A 8 -4.568 0.700 -11.319 1.00 0.00 C ATOM 120 CZ PHE A 8 -5.493 0.059 -12.119 1.00 0.00 C ATOM 0 H PHE A 8 0.707 -2.429 -11.344 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.020 -2.087 -13.473 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -1.770 -2.766 -11.270 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.210 -1.269 -10.552 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.690 -2.663 -12.947 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.607 0.638 -10.482 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -5.896 -1.656 -13.330 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -4.814 1.646 -10.859 1.00 0.00 H new ATOM 0 HZ PHE A 8 -6.463 0.503 -12.287 1.00 0.00 H new ATOM 130 N LYS A 9 0.064 0.774 -12.235 1.00 0.00 N ATOM 131 CA LYS A 9 0.181 2.201 -12.509 1.00 0.00 C ATOM 132 C LYS A 9 1.182 2.461 -13.630 1.00 0.00 C ATOM 133 O LYS A 9 1.162 3.518 -14.261 1.00 0.00 O ATOM 134 CB LYS A 9 0.610 2.950 -11.245 1.00 0.00 C ATOM 135 CG LYS A 9 -0.321 2.733 -10.064 1.00 0.00 C ATOM 136 CD LYS A 9 0.430 2.787 -8.745 1.00 0.00 C ATOM 137 CE LYS A 9 -0.438 3.352 -7.631 1.00 0.00 C ATOM 138 NZ LYS A 9 -1.775 2.698 -7.584 1.00 0.00 N ATOM 0 H LYS A 9 0.561 0.463 -11.400 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.796 2.565 -12.827 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.615 2.632 -10.968 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.662 4.016 -11.465 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.102 3.494 -10.071 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.816 1.767 -10.163 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.764 1.785 -8.474 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.323 3.401 -8.859 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.066 3.217 -6.674 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.563 4.425 -7.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.112 2.667 -6.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.447 3.240 -8.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.701 1.729 -7.955 1.00 0.00 H new ATOM 152 N ARG A 10 2.056 1.489 -13.873 1.00 0.00 N ATOM 153 CA ARG A 10 3.064 1.613 -14.919 1.00 0.00 C ATOM 154 C ARG A 10 2.420 1.959 -16.258 1.00 0.00 C ATOM 155 O ARG A 10 2.834 2.901 -16.933 1.00 0.00 O ATOM 156 CB ARG A 10 3.860 0.312 -15.045 1.00 0.00 C ATOM 157 CG ARG A 10 5.288 0.517 -15.524 1.00 0.00 C ATOM 158 CD ARG A 10 5.655 -0.471 -16.621 1.00 0.00 C ATOM 159 NE ARG A 10 6.939 -0.151 -17.239 1.00 0.00 N ATOM 160 CZ ARG A 10 7.097 0.798 -18.155 1.00 0.00 C ATOM 161 NH1 ARG A 10 6.057 1.517 -18.556 1.00 0.00 N ATOM 162 NH2 ARG A 10 8.297 1.031 -18.671 1.00 0.00 N ATOM 0 H ARG A 10 2.086 0.608 -13.360 1.00 0.00 H new ATOM 0 HA ARG A 10 3.741 2.421 -14.642 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.879 -0.188 -14.077 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.345 -0.354 -15.738 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.406 1.535 -15.895 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.974 0.402 -14.685 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.694 -1.477 -16.204 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.876 -0.472 -17.383 1.00 0.00 H new ATOM 0 HE ARG A 10 7.759 -0.685 -16.952 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.133 1.342 -18.161 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.181 2.245 -19.259 1.00 0.00 H new ATOM 0 HH21 ARG A 10 9.100 0.481 -18.364 1.00 0.00 H new ATOM 0 HH22 ARG A 10 8.417 1.760 -19.374 1.00 0.00 H new ATOM 176 N PHE A 11 1.403 1.190 -16.636 1.00 0.00 N ATOM 177 CA PHE A 11 0.702 1.415 -17.895 1.00 0.00 C ATOM 178 C PHE A 11 -0.340 2.520 -17.747 1.00 0.00 C ATOM 179 O PHE A 11 -0.927 2.969 -18.732 1.00 0.00 O ATOM 180 CB PHE A 11 0.029 0.124 -18.365 1.00 0.00 C ATOM 181 CG PHE A 11 0.956 -1.058 -18.397 1.00 0.00 C ATOM 182 CD1 PHE A 11 2.307 -0.889 -18.659 1.00 0.00 C ATOM 183 CD2 PHE A 11 0.477 -2.337 -18.166 1.00 0.00 C ATOM 184 CE1 PHE A 11 3.161 -1.975 -18.690 1.00 0.00 C ATOM 185 CE2 PHE A 11 1.328 -3.427 -18.195 1.00 0.00 C ATOM 186 CZ PHE A 11 2.671 -3.245 -18.457 1.00 0.00 C ATOM 0 H PHE A 11 1.047 0.406 -16.089 1.00 0.00 H new ATOM 0 HA PHE A 11 1.434 1.727 -18.640 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -0.810 -0.100 -17.706 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -0.382 0.280 -19.362 1.00 0.00 H new ATOM 0 HD1 PHE A 11 2.696 0.102 -18.841 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.573 -2.485 -17.961 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.211 -1.831 -18.896 1.00 0.00 H new ATOM 0 HE2 PHE A 11 0.942 -4.419 -18.013 1.00 0.00 H new ATOM 0 HZ PHE A 11 3.338 -4.094 -18.480 1.00 0.00 H new ATOM 196 N ASP A 12 -0.563 2.953 -16.512 1.00 0.00 N ATOM 197 CA ASP A 12 -1.534 4.005 -16.234 1.00 0.00 C ATOM 198 C ASP A 12 -0.962 5.377 -16.580 1.00 0.00 C ATOM 199 O ASP A 12 -0.851 6.251 -15.720 1.00 0.00 O ATOM 200 CB ASP A 12 -1.950 3.969 -14.763 1.00 0.00 C ATOM 201 CG ASP A 12 -3.166 4.831 -14.484 1.00 0.00 C ATOM 202 OD1 ASP A 12 -3.997 5.001 -15.402 1.00 0.00 O ATOM 203 OD2 ASP A 12 -3.288 5.335 -13.348 1.00 0.00 O ATOM 0 H ASP A 12 -0.085 2.592 -15.687 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.412 3.829 -16.856 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.164 2.940 -14.474 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.119 4.308 -14.145 1.00 0.00 H new ATOM 262 N LYS A 18 -8.128 2.383 -15.307 1.00 0.00 N ATOM 263 CA LYS A 18 -7.887 1.104 -15.966 1.00 0.00 C ATOM 264 C LYS A 18 -6.658 1.179 -16.866 1.00 0.00 C ATOM 265 O LYS A 18 -6.164 2.266 -17.169 1.00 0.00 O ATOM 266 CB LYS A 18 -9.110 0.693 -16.789 1.00 0.00 C ATOM 267 CG LYS A 18 -10.341 0.404 -15.947 1.00 0.00 C ATOM 268 CD LYS A 18 -11.457 -0.204 -16.780 1.00 0.00 C ATOM 269 CE LYS A 18 -12.626 0.756 -16.931 1.00 0.00 C ATOM 270 NZ LYS A 18 -13.453 0.440 -18.128 1.00 0.00 N ATOM 0 HA LYS A 18 -7.706 0.355 -15.195 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.344 1.487 -17.498 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.863 -0.194 -17.373 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.078 -0.277 -15.138 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.692 1.327 -15.485 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.074 -0.470 -17.765 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.801 -1.127 -16.312 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -13.249 0.713 -16.038 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.250 1.776 -17.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.239 1.117 -18.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.865 0.506 -18.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.833 -0.524 -18.043 1.00 0.00 H new ATOM 284 N ILE A 19 -6.170 0.019 -17.291 1.00 0.00 N ATOM 285 CA ILE A 19 -5.000 -0.046 -18.158 1.00 0.00 C ATOM 286 C ILE A 19 -5.239 -0.986 -19.335 1.00 0.00 C ATOM 287 O ILE A 19 -5.806 -2.066 -19.174 1.00 0.00 O ATOM 288 CB ILE A 19 -3.752 -0.514 -17.387 1.00 0.00 C ATOM 289 CG1 ILE A 19 -3.999 -1.887 -16.760 1.00 0.00 C ATOM 290 CG2 ILE A 19 -3.378 0.503 -16.318 1.00 0.00 C ATOM 291 CD1 ILE A 19 -2.814 -2.420 -15.985 1.00 0.00 C ATOM 0 H ILE A 19 -6.567 -0.889 -17.049 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.828 0.964 -18.531 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.921 -0.599 -18.087 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.860 -1.824 -16.094 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.257 -2.596 -17.547 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.494 0.158 -15.781 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.166 1.463 -16.788 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.206 0.616 -15.618 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.061 -3.397 -15.569 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.957 -2.516 -16.651 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.569 -1.732 -15.176 1.00 0.00 H new ATOM 303 N SER A 20 -4.801 -0.568 -20.518 1.00 0.00 N ATOM 304 CA SER A 20 -4.969 -1.372 -21.723 1.00 0.00 C ATOM 305 C SER A 20 -4.293 -2.731 -21.568 1.00 0.00 C ATOM 306 O SER A 20 -3.085 -2.814 -21.339 1.00 0.00 O ATOM 307 CB SER A 20 -4.392 -0.638 -22.935 1.00 0.00 C ATOM 308 OG SER A 20 -5.418 -0.257 -23.836 1.00 0.00 O ATOM 0 H SER A 20 -4.327 0.323 -20.668 1.00 0.00 H new ATOM 0 HA SER A 20 -6.036 -1.532 -21.878 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.848 0.246 -22.603 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.675 -1.281 -23.446 1.00 0.00 H new ATOM 0 HG SER A 20 -6.277 -0.610 -23.522 1.00 0.00 H new ATOM 314 N LEU A 21 -5.079 -3.794 -21.693 1.00 0.00 N ATOM 315 CA LEU A 21 -4.558 -5.150 -21.568 1.00 0.00 C ATOM 316 C LEU A 21 -3.934 -5.618 -22.878 1.00 0.00 C ATOM 317 O LEU A 21 -3.176 -6.588 -22.906 1.00 0.00 O ATOM 318 CB LEU A 21 -5.674 -6.110 -21.151 1.00 0.00 C ATOM 319 CG LEU A 21 -7.040 -5.872 -21.796 1.00 0.00 C ATOM 320 CD1 LEU A 21 -6.944 -5.995 -23.309 1.00 0.00 C ATOM 321 CD2 LEU A 21 -8.068 -6.848 -21.244 1.00 0.00 C ATOM 0 H LEU A 21 -6.080 -3.743 -21.881 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.784 -5.145 -20.800 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.357 -7.127 -21.383 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.790 -6.052 -20.069 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.363 -4.860 -21.554 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.925 -5.823 -23.751 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.239 -5.256 -23.690 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.598 -6.995 -23.572 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.034 -6.664 -21.714 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.750 -7.869 -21.455 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.157 -6.711 -20.166 1.00 0.00 H new ATOM 333 N SER A 22 -4.255 -4.920 -23.963 1.00 0.00 N ATOM 334 CA SER A 22 -3.727 -5.264 -25.278 1.00 0.00 C ATOM 335 C SER A 22 -2.321 -4.702 -25.463 1.00 0.00 C ATOM 336 O SER A 22 -1.421 -5.396 -25.934 1.00 0.00 O ATOM 337 CB SER A 22 -4.649 -4.733 -26.377 1.00 0.00 C ATOM 338 OG SER A 22 -5.152 -3.450 -26.044 1.00 0.00 O ATOM 0 H SER A 22 -4.878 -4.113 -23.957 1.00 0.00 H new ATOM 0 HA SER A 22 -3.678 -6.351 -25.349 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.104 -4.680 -27.319 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.478 -5.425 -26.527 1.00 0.00 H new ATOM 0 HG SER A 22 -5.737 -3.131 -26.763 1.00 0.00 H new ATOM 344 N GLU A 23 -2.141 -3.439 -25.088 1.00 0.00 N ATOM 345 CA GLU A 23 -0.845 -2.783 -25.213 1.00 0.00 C ATOM 346 C GLU A 23 0.172 -3.400 -24.258 1.00 0.00 C ATOM 347 O GLU A 23 1.380 -3.339 -24.494 1.00 0.00 O ATOM 348 CB GLU A 23 -0.978 -1.284 -24.934 1.00 0.00 C ATOM 349 CG GLU A 23 -1.954 -0.577 -25.860 1.00 0.00 C ATOM 350 CD GLU A 23 -1.381 -0.347 -27.244 1.00 0.00 C ATOM 351 OE1 GLU A 23 -0.147 -0.191 -27.359 1.00 0.00 O ATOM 352 OE2 GLU A 23 -2.167 -0.322 -28.215 1.00 0.00 O ATOM 0 H GLU A 23 -2.876 -2.850 -24.696 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.492 -2.926 -26.234 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.301 -1.142 -23.903 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.002 -0.817 -25.028 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.865 -1.169 -25.942 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.235 0.381 -25.423 1.00 0.00 H new ATOM 359 N LEU A 24 -0.324 -3.995 -23.179 1.00 0.00 N ATOM 360 CA LEU A 24 0.541 -4.625 -22.186 1.00 0.00 C ATOM 361 C LEU A 24 1.335 -5.771 -22.805 1.00 0.00 C ATOM 362 O LEU A 24 2.565 -5.739 -22.842 1.00 0.00 O ATOM 363 CB LEU A 24 -0.291 -5.141 -21.011 1.00 0.00 C ATOM 364 CG LEU A 24 0.374 -6.203 -20.134 1.00 0.00 C ATOM 365 CD1 LEU A 24 0.076 -7.597 -20.665 1.00 0.00 C ATOM 366 CD2 LEU A 24 1.875 -5.969 -20.058 1.00 0.00 C ATOM 0 H LEU A 24 -1.320 -4.055 -22.969 1.00 0.00 H new ATOM 0 HA LEU A 24 1.244 -3.875 -21.823 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.558 -4.293 -20.381 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.221 -5.552 -21.403 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.037 -6.124 -19.127 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.557 -8.339 -20.028 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.001 -7.763 -20.666 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.458 -7.688 -21.682 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.331 -6.734 -19.430 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.302 -6.019 -21.059 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.069 -4.985 -19.630 1.00 0.00 H new ATOM 378 N THR A 25 0.623 -6.782 -23.292 1.00 0.00 N ATOM 379 CA THR A 25 1.261 -7.938 -23.910 1.00 0.00 C ATOM 380 C THR A 25 2.207 -7.512 -25.026 1.00 0.00 C ATOM 381 O THR A 25 3.252 -8.128 -25.235 1.00 0.00 O ATOM 382 CB THR A 25 0.217 -8.916 -24.482 1.00 0.00 C ATOM 383 OG1 THR A 25 0.861 -9.888 -25.313 1.00 0.00 O ATOM 384 CG2 THR A 25 -0.838 -8.172 -25.287 1.00 0.00 C ATOM 0 H THR A 25 -0.396 -6.824 -23.271 1.00 0.00 H new ATOM 0 HA THR A 25 1.830 -8.441 -23.128 1.00 0.00 H new ATOM 0 HB THR A 25 -0.273 -9.419 -23.648 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.636 -10.259 -24.842 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.564 -8.883 -25.681 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.346 -7.453 -24.644 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.361 -7.646 -26.114 1.00 0.00 H new ATOM 392 N ASP A 26 1.835 -6.455 -25.740 1.00 0.00 N ATOM 393 CA ASP A 26 2.652 -5.946 -26.834 1.00 0.00 C ATOM 394 C ASP A 26 3.804 -5.097 -26.304 1.00 0.00 C ATOM 395 O ASP A 26 4.799 -4.883 -26.994 1.00 0.00 O ATOM 396 CB ASP A 26 1.797 -5.121 -27.797 1.00 0.00 C ATOM 397 CG ASP A 26 2.357 -5.111 -29.206 1.00 0.00 C ATOM 398 OD1 ASP A 26 3.383 -5.783 -29.442 1.00 0.00 O ATOM 399 OD2 ASP A 26 1.769 -4.431 -30.073 1.00 0.00 O ATOM 0 H ASP A 26 0.973 -5.934 -25.580 1.00 0.00 H new ATOM 0 HA ASP A 26 3.069 -6.799 -27.369 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.784 -5.523 -27.815 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.727 -4.097 -27.430 1.00 0.00 H new ATOM 404 N ALA A 27 3.660 -4.617 -25.073 1.00 0.00 N ATOM 405 CA ALA A 27 4.688 -3.793 -24.449 1.00 0.00 C ATOM 406 C ALA A 27 5.724 -4.655 -23.737 1.00 0.00 C ATOM 407 O ALA A 27 6.907 -4.313 -23.694 1.00 0.00 O ATOM 408 CB ALA A 27 4.057 -2.809 -23.475 1.00 0.00 C ATOM 0 H ALA A 27 2.841 -4.785 -24.488 1.00 0.00 H new ATOM 0 HA ALA A 27 5.197 -3.234 -25.234 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.836 -2.200 -23.017 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.360 -2.164 -24.010 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.522 -3.357 -22.700 1.00 0.00 H new ATOM 414 N LEU A 28 5.274 -5.772 -23.177 1.00 0.00 N ATOM 415 CA LEU A 28 6.163 -6.683 -22.464 1.00 0.00 C ATOM 416 C LEU A 28 7.374 -7.043 -23.320 1.00 0.00 C ATOM 417 O LEU A 28 8.432 -7.395 -22.799 1.00 0.00 O ATOM 418 CB LEU A 28 5.411 -7.954 -22.066 1.00 0.00 C ATOM 419 CG LEU A 28 4.811 -7.965 -20.659 1.00 0.00 C ATOM 420 CD1 LEU A 28 3.941 -9.197 -20.460 1.00 0.00 C ATOM 421 CD2 LEU A 28 5.912 -7.912 -19.610 1.00 0.00 C ATOM 0 H LEU A 28 4.299 -6.069 -23.203 1.00 0.00 H new ATOM 0 HA LEU A 28 6.514 -6.178 -21.564 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.607 -8.116 -22.784 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.093 -8.799 -22.155 1.00 0.00 H new ATOM 0 HG LEU A 28 4.184 -7.081 -20.544 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.523 -9.188 -19.454 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.131 -9.192 -21.190 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.545 -10.094 -20.594 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.467 -7.921 -18.615 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.564 -8.778 -19.723 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.494 -7.000 -19.739 1.00 0.00 H new ATOM 433 N ARG A 29 7.210 -6.950 -24.636 1.00 0.00 N ATOM 434 CA ARG A 29 8.290 -7.264 -25.564 1.00 0.00 C ATOM 435 C ARG A 29 9.511 -6.391 -25.293 1.00 0.00 C ATOM 436 O ARG A 29 10.651 -6.825 -25.469 1.00 0.00 O ATOM 437 CB ARG A 29 7.822 -7.072 -27.008 1.00 0.00 C ATOM 438 CG ARG A 29 7.660 -5.615 -27.407 1.00 0.00 C ATOM 439 CD ARG A 29 7.016 -5.481 -28.778 1.00 0.00 C ATOM 440 NE ARG A 29 8.001 -5.200 -29.819 1.00 0.00 N ATOM 441 CZ ARG A 29 7.679 -4.870 -31.065 1.00 0.00 C ATOM 442 NH1 ARG A 29 6.405 -4.779 -31.422 1.00 0.00 N ATOM 443 NH2 ARG A 29 8.632 -4.629 -31.956 1.00 0.00 N ATOM 0 H ARG A 29 6.340 -6.660 -25.083 1.00 0.00 H new ATOM 0 HA ARG A 29 8.571 -8.307 -25.416 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.538 -7.546 -27.679 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.870 -7.585 -27.144 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.050 -5.099 -26.665 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.635 -5.128 -27.413 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.484 -6.401 -29.021 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.275 -4.682 -28.754 1.00 0.00 H new ATOM 0 HE ARG A 29 8.990 -5.260 -29.576 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.670 -4.963 -30.739 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.160 -4.525 -32.379 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.613 -4.697 -31.685 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.384 -4.376 -32.912 1.00 0.00 H new ATOM 457 N THR A 30 9.267 -5.156 -24.865 1.00 0.00 N ATOM 458 CA THR A 30 10.345 -4.221 -24.572 1.00 0.00 C ATOM 459 C THR A 30 10.980 -4.520 -23.218 1.00 0.00 C ATOM 460 O THR A 30 12.151 -4.215 -22.989 1.00 0.00 O ATOM 461 CB THR A 30 9.844 -2.765 -24.580 1.00 0.00 C ATOM 462 OG1 THR A 30 10.929 -1.874 -24.860 1.00 0.00 O ATOM 463 CG2 THR A 30 9.215 -2.401 -23.243 1.00 0.00 C ATOM 0 H THR A 30 8.331 -4.780 -24.714 1.00 0.00 H new ATOM 0 HA THR A 30 11.092 -4.345 -25.356 1.00 0.00 H new ATOM 0 HB THR A 30 9.087 -2.670 -25.358 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.601 -0.951 -24.865 1.00 0.00 H new ATOM 0 HG21 THR A 30 8.869 -1.368 -23.273 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.370 -3.061 -23.047 1.00 0.00 H new ATOM 0 HG23 THR A 30 9.955 -2.513 -22.450 1.00 0.00 H new ATOM 471 N LEU A 31 10.201 -5.120 -22.325 1.00 0.00 N ATOM 472 CA LEU A 31 10.688 -5.462 -20.993 1.00 0.00 C ATOM 473 C LEU A 31 11.593 -6.689 -21.042 1.00 0.00 C ATOM 474 O LEU A 31 12.184 -7.078 -20.036 1.00 0.00 O ATOM 475 CB LEU A 31 9.512 -5.720 -20.049 1.00 0.00 C ATOM 476 CG LEU A 31 9.112 -4.556 -19.142 1.00 0.00 C ATOM 477 CD1 LEU A 31 10.277 -4.147 -18.254 1.00 0.00 C ATOM 478 CD2 LEU A 31 8.631 -3.374 -19.971 1.00 0.00 C ATOM 0 H LEU A 31 9.230 -5.380 -22.499 1.00 0.00 H new ATOM 0 HA LEU A 31 11.269 -4.619 -20.619 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.646 -6.002 -20.648 1.00 0.00 H new ATOM 0 HB3 LEU A 31 9.757 -6.576 -19.421 1.00 0.00 H new ATOM 0 HG LEU A 31 8.292 -4.884 -18.503 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.974 -3.317 -17.615 1.00 0.00 H new ATOM 0 HD12 LEU A 31 10.576 -4.992 -17.634 1.00 0.00 H new ATOM 0 HD13 LEU A 31 11.117 -3.838 -18.876 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.351 -2.555 -19.309 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.431 -3.046 -20.635 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.767 -3.673 -20.564 1.00 0.00 H new ATOM 490 N GLY A 32 11.698 -7.294 -22.222 1.00 0.00 N ATOM 491 CA GLY A 32 12.534 -8.469 -22.381 1.00 0.00 C ATOM 492 C GLY A 32 11.785 -9.756 -22.100 1.00 0.00 C ATOM 493 O GLY A 32 12.375 -10.837 -22.090 1.00 0.00 O ATOM 0 H GLY A 32 11.219 -6.991 -23.070 1.00 0.00 H new ATOM 0 HA2 GLY A 32 12.928 -8.496 -23.397 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.389 -8.396 -21.709 1.00 0.00 H new ATOM 497 N SER A 33 10.481 -9.642 -21.870 1.00 0.00 N ATOM 498 CA SER A 33 9.651 -10.806 -21.581 1.00 0.00 C ATOM 499 C SER A 33 9.626 -11.763 -22.769 1.00 0.00 C ATOM 500 O SER A 33 9.435 -11.349 -23.913 1.00 0.00 O ATOM 501 CB SER A 33 8.226 -10.369 -21.234 1.00 0.00 C ATOM 502 OG SER A 33 7.857 -10.815 -19.941 1.00 0.00 O ATOM 0 H SER A 33 9.976 -8.756 -21.878 1.00 0.00 H new ATOM 0 HA SER A 33 10.082 -11.326 -20.726 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.154 -9.282 -21.282 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.530 -10.768 -21.972 1.00 0.00 H new ATOM 0 HG SER A 33 6.889 -10.966 -19.911 1.00 0.00 H new ATOM 508 N THR A 34 9.822 -13.048 -22.490 1.00 0.00 N ATOM 509 CA THR A 34 9.824 -14.066 -23.533 1.00 0.00 C ATOM 510 C THR A 34 8.508 -14.836 -23.552 1.00 0.00 C ATOM 511 O THR A 34 8.449 -15.970 -24.028 1.00 0.00 O ATOM 512 CB THR A 34 10.985 -15.060 -23.346 1.00 0.00 C ATOM 513 OG1 THR A 34 11.066 -15.938 -24.475 1.00 0.00 O ATOM 514 CG2 THR A 34 10.799 -15.876 -22.075 1.00 0.00 C ATOM 0 H THR A 34 9.982 -13.408 -21.549 1.00 0.00 H new ATOM 0 HA THR A 34 9.951 -13.546 -24.482 1.00 0.00 H new ATOM 0 HB THR A 34 11.911 -14.491 -23.262 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.168 -16.255 -24.708 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.631 -16.571 -21.964 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.767 -15.207 -21.215 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.865 -16.435 -22.135 1.00 0.00 H new ATOM 522 N SER A 35 7.455 -14.213 -23.033 1.00 0.00 N ATOM 523 CA SER A 35 6.141 -14.842 -22.988 1.00 0.00 C ATOM 524 C SER A 35 5.058 -13.871 -23.449 1.00 0.00 C ATOM 525 O SER A 35 3.875 -14.067 -23.174 1.00 0.00 O ATOM 526 CB SER A 35 5.833 -15.330 -21.571 1.00 0.00 C ATOM 527 OG SER A 35 5.945 -14.274 -20.632 1.00 0.00 O ATOM 0 H SER A 35 7.487 -13.273 -22.638 1.00 0.00 H new ATOM 0 HA SER A 35 6.152 -15.696 -23.665 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.826 -15.746 -21.537 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.519 -16.134 -21.303 1.00 0.00 H new ATOM 0 HG SER A 35 5.742 -14.611 -19.735 1.00 0.00 H new ATOM 533 N ALA A 36 5.473 -12.823 -24.153 1.00 0.00 N ATOM 534 CA ALA A 36 4.540 -11.821 -24.655 1.00 0.00 C ATOM 535 C ALA A 36 3.417 -12.471 -25.456 1.00 0.00 C ATOM 536 O ALA A 36 2.322 -11.919 -25.567 1.00 0.00 O ATOM 537 CB ALA A 36 5.274 -10.796 -25.507 1.00 0.00 C ATOM 0 H ALA A 36 6.449 -12.646 -24.389 1.00 0.00 H new ATOM 0 HA ALA A 36 4.095 -11.313 -23.799 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.565 -10.054 -25.875 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.037 -10.302 -24.905 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.747 -11.297 -26.352 1.00 0.00 H new ATOM 543 N ASP A 37 3.695 -13.644 -26.013 1.00 0.00 N ATOM 544 CA ASP A 37 2.707 -14.369 -26.804 1.00 0.00 C ATOM 545 C ASP A 37 1.773 -15.171 -25.903 1.00 0.00 C ATOM 546 O ASP A 37 0.600 -15.362 -26.224 1.00 0.00 O ATOM 547 CB ASP A 37 3.403 -15.301 -27.797 1.00 0.00 C ATOM 548 CG ASP A 37 2.471 -16.367 -28.341 1.00 0.00 C ATOM 549 OD1 ASP A 37 1.332 -16.022 -28.720 1.00 0.00 O ATOM 550 OD2 ASP A 37 2.881 -17.545 -28.387 1.00 0.00 O ATOM 0 H ASP A 37 4.597 -14.114 -25.932 1.00 0.00 H new ATOM 0 HA ASP A 37 2.113 -13.641 -27.356 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.801 -14.714 -28.624 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.252 -15.779 -27.308 1.00 0.00 H new ATOM 555 N GLU A 38 2.302 -15.639 -24.777 1.00 0.00 N ATOM 556 CA GLU A 38 1.514 -16.422 -23.832 1.00 0.00 C ATOM 557 C GLU A 38 0.684 -15.512 -22.931 1.00 0.00 C ATOM 558 O GLU A 38 -0.397 -15.889 -22.477 1.00 0.00 O ATOM 559 CB GLU A 38 2.429 -17.304 -22.980 1.00 0.00 C ATOM 560 CG GLU A 38 1.678 -18.298 -22.109 1.00 0.00 C ATOM 561 CD GLU A 38 1.421 -19.615 -22.816 1.00 0.00 C ATOM 562 OE1 GLU A 38 2.372 -20.166 -23.408 1.00 0.00 O ATOM 563 OE2 GLU A 38 0.269 -20.094 -22.777 1.00 0.00 O ATOM 0 H GLU A 38 3.271 -15.490 -24.497 1.00 0.00 H new ATOM 0 HA GLU A 38 0.836 -17.057 -24.402 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.108 -17.849 -23.636 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.043 -16.667 -22.343 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.250 -18.483 -21.200 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.727 -17.862 -21.804 1.00 0.00 H new ATOM 570 N VAL A 39 1.197 -14.313 -22.676 1.00 0.00 N ATOM 571 CA VAL A 39 0.503 -13.348 -21.830 1.00 0.00 C ATOM 572 C VAL A 39 -0.706 -12.759 -22.547 1.00 0.00 C ATOM 573 O VAL A 39 -1.721 -12.452 -21.922 1.00 0.00 O ATOM 574 CB VAL A 39 1.440 -12.204 -21.400 1.00 0.00 C ATOM 575 CG1 VAL A 39 1.845 -11.365 -22.603 1.00 0.00 C ATOM 576 CG2 VAL A 39 0.773 -11.341 -20.339 1.00 0.00 C ATOM 0 H VAL A 39 2.091 -13.986 -23.043 1.00 0.00 H new ATOM 0 HA VAL A 39 0.168 -13.886 -20.943 1.00 0.00 H new ATOM 0 HB VAL A 39 2.342 -12.638 -20.969 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.507 -10.562 -22.280 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.364 -11.994 -23.327 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.955 -10.938 -23.065 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.449 -10.537 -20.046 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.146 -10.914 -20.742 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.537 -11.952 -19.468 1.00 0.00 H new ATOM 586 N GLN A 40 -0.591 -12.605 -23.862 1.00 0.00 N ATOM 587 CA GLN A 40 -1.676 -12.052 -24.664 1.00 0.00 C ATOM 588 C GLN A 40 -2.946 -12.881 -24.507 1.00 0.00 C ATOM 589 O GLN A 40 -4.050 -12.340 -24.453 1.00 0.00 O ATOM 590 CB GLN A 40 -1.270 -11.991 -26.137 1.00 0.00 C ATOM 591 CG GLN A 40 -2.442 -12.118 -27.097 1.00 0.00 C ATOM 592 CD GLN A 40 -2.010 -12.112 -28.550 1.00 0.00 C ATOM 593 OE1 GLN A 40 -0.951 -12.852 -28.856 1.00 0.00 O flip ATOM 594 NE2 GLN A 40 -2.621 -11.449 -29.389 1.00 0.00 N flip ATOM 0 H GLN A 40 0.242 -12.855 -24.395 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.878 -11.041 -24.309 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.758 -11.048 -26.325 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.555 -12.788 -26.342 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.981 -13.042 -26.886 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.138 -11.297 -26.925 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.430 -10.894 -29.110 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.318 -11.455 -30.363 1.00 0.00 H new ATOM 603 N ARG A 41 -2.782 -14.198 -24.436 1.00 0.00 N ATOM 604 CA ARG A 41 -3.915 -15.103 -24.288 1.00 0.00 C ATOM 605 C ARG A 41 -4.320 -15.231 -22.822 1.00 0.00 C ATOM 606 O ARG A 41 -5.446 -15.620 -22.511 1.00 0.00 O ATOM 607 CB ARG A 41 -3.573 -16.482 -24.856 1.00 0.00 C ATOM 608 CG ARG A 41 -2.318 -17.094 -24.254 1.00 0.00 C ATOM 609 CD ARG A 41 -1.999 -18.441 -24.882 1.00 0.00 C ATOM 610 NE ARG A 41 -2.805 -19.516 -24.311 1.00 0.00 N ATOM 611 CZ ARG A 41 -2.657 -20.797 -24.632 1.00 0.00 C ATOM 612 NH1 ARG A 41 -1.737 -21.159 -25.516 1.00 0.00 N ATOM 613 NH2 ARG A 41 -3.428 -21.717 -24.069 1.00 0.00 N ATOM 0 H ARG A 41 -1.875 -14.662 -24.479 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.755 -14.687 -24.845 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.413 -17.155 -24.685 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.445 -16.400 -25.935 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.477 -16.416 -24.397 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.450 -17.215 -23.179 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.172 -18.390 -25.957 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.942 -18.666 -24.740 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.521 -19.270 -23.628 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.142 -20.454 -25.950 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.625 -22.143 -25.761 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.136 -21.442 -23.388 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.313 -22.700 -24.317 1.00 0.00 H new ATOM 627 N MET A 42 -3.395 -14.903 -21.927 1.00 0.00 N ATOM 628 CA MET A 42 -3.656 -14.981 -20.494 1.00 0.00 C ATOM 629 C MET A 42 -4.461 -13.774 -20.022 1.00 0.00 C ATOM 630 O MET A 42 -5.449 -13.919 -19.303 1.00 0.00 O ATOM 631 CB MET A 42 -2.341 -15.066 -19.718 1.00 0.00 C ATOM 632 CG MET A 42 -1.605 -16.382 -19.912 1.00 0.00 C ATOM 633 SD MET A 42 -2.124 -17.647 -18.737 1.00 0.00 S ATOM 634 CE MET A 42 -2.869 -18.847 -19.838 1.00 0.00 C ATOM 0 H MET A 42 -2.458 -14.581 -22.168 1.00 0.00 H new ATOM 0 HA MET A 42 -4.240 -15.882 -20.305 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.692 -14.247 -20.028 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.545 -14.926 -18.656 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.774 -16.743 -20.927 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.533 -16.213 -19.808 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.239 -19.692 -19.258 1.00 0.00 H new ATOM 0 HE2 MET A 42 -3.698 -18.384 -20.374 1.00 0.00 H new ATOM 0 HE3 MET A 42 -2.124 -19.196 -20.553 1.00 0.00 H new ATOM 644 N MET A 43 -4.032 -12.585 -20.431 1.00 0.00 N ATOM 645 CA MET A 43 -4.714 -11.354 -20.050 1.00 0.00 C ATOM 646 C MET A 43 -6.192 -11.413 -20.424 1.00 0.00 C ATOM 647 O MET A 43 -7.024 -10.745 -19.812 1.00 0.00 O ATOM 648 CB MET A 43 -4.053 -10.149 -20.723 1.00 0.00 C ATOM 649 CG MET A 43 -3.850 -10.325 -22.219 1.00 0.00 C ATOM 650 SD MET A 43 -4.840 -9.176 -23.194 1.00 0.00 S ATOM 651 CE MET A 43 -4.089 -9.367 -24.809 1.00 0.00 C ATOM 0 H MET A 43 -3.215 -12.448 -21.026 1.00 0.00 H new ATOM 0 HA MET A 43 -4.635 -11.245 -18.968 1.00 0.00 H new ATOM 0 HB2 MET A 43 -4.666 -9.265 -20.549 1.00 0.00 H new ATOM 0 HB3 MET A 43 -3.087 -9.965 -20.253 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.796 -10.184 -22.458 1.00 0.00 H new ATOM 0 HG3 MET A 43 -4.106 -11.347 -22.499 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.191 -8.438 -25.370 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.032 -9.607 -24.693 1.00 0.00 H new ATOM 0 HE3 MET A 43 -4.587 -10.173 -25.349 1.00 0.00 H new ATOM 661 N ALA A 44 -6.510 -12.216 -21.434 1.00 0.00 N ATOM 662 CA ALA A 44 -7.887 -12.363 -21.889 1.00 0.00 C ATOM 663 C ALA A 44 -8.742 -13.059 -20.835 1.00 0.00 C ATOM 664 O ALA A 44 -9.967 -12.942 -20.841 1.00 0.00 O ATOM 665 CB ALA A 44 -7.931 -13.134 -23.200 1.00 0.00 C ATOM 0 H ALA A 44 -5.832 -12.775 -21.953 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.297 -11.367 -22.053 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.966 -13.236 -23.528 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.362 -12.596 -23.958 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.497 -14.123 -23.055 1.00 0.00 H new ATOM 671 N GLU A 45 -8.087 -13.783 -19.932 1.00 0.00 N ATOM 672 CA GLU A 45 -8.789 -14.499 -18.873 1.00 0.00 C ATOM 673 C GLU A 45 -9.331 -13.528 -17.828 1.00 0.00 C ATOM 674 O GLU A 45 -10.492 -13.617 -17.426 1.00 0.00 O ATOM 675 CB GLU A 45 -7.856 -15.513 -18.209 1.00 0.00 C ATOM 676 CG GLU A 45 -7.294 -16.545 -19.172 1.00 0.00 C ATOM 677 CD GLU A 45 -8.190 -17.760 -19.313 1.00 0.00 C ATOM 678 OE1 GLU A 45 -9.422 -17.580 -19.411 1.00 0.00 O ATOM 679 OE2 GLU A 45 -7.660 -18.891 -19.326 1.00 0.00 O ATOM 0 H GLU A 45 -7.073 -13.889 -19.913 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.629 -15.029 -19.321 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.030 -14.980 -17.738 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.398 -16.027 -17.415 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.155 -16.085 -20.151 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.310 -16.862 -18.826 1.00 0.00 H new ATOM 686 N ILE A 46 -8.483 -12.604 -17.391 1.00 0.00 N ATOM 687 CA ILE A 46 -8.876 -11.617 -16.393 1.00 0.00 C ATOM 688 C ILE A 46 -9.923 -10.658 -16.951 1.00 0.00 C ATOM 689 O ILE A 46 -10.815 -10.210 -16.232 1.00 0.00 O ATOM 690 CB ILE A 46 -7.666 -10.805 -15.896 1.00 0.00 C ATOM 691 CG1 ILE A 46 -6.869 -10.259 -17.083 1.00 0.00 C ATOM 692 CG2 ILE A 46 -6.780 -11.664 -15.007 1.00 0.00 C ATOM 693 CD1 ILE A 46 -5.839 -9.221 -16.693 1.00 0.00 C ATOM 0 H ILE A 46 -7.519 -12.518 -17.712 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.301 -12.169 -15.555 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.030 -9.963 -15.307 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.367 -11.086 -17.585 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.560 -9.821 -17.803 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.929 -11.075 -14.664 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.353 -12.009 -14.146 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.422 -12.524 -15.573 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.312 -8.879 -17.584 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.336 -8.375 -16.218 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.125 -9.660 -15.996 1.00 0.00 H new ATOM 705 N ASP A 47 -9.809 -10.350 -18.239 1.00 0.00 N ATOM 706 CA ASP A 47 -10.746 -9.445 -18.894 1.00 0.00 C ATOM 707 C ASP A 47 -12.107 -10.110 -19.076 1.00 0.00 C ATOM 708 O ASP A 47 -12.263 -11.018 -19.895 1.00 0.00 O ATOM 709 CB ASP A 47 -10.196 -9.003 -20.252 1.00 0.00 C ATOM 710 CG ASP A 47 -10.922 -7.793 -20.802 1.00 0.00 C ATOM 711 OD1 ASP A 47 -11.636 -7.084 -19.935 1.00 0.00 O ATOM 712 OD2 ASP A 47 -10.843 -7.497 -21.995 1.00 0.00 O ATOM 0 H ASP A 47 -9.077 -10.714 -18.849 1.00 0.00 H new ATOM 0 HA ASP A 47 -10.871 -8.569 -18.258 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.135 -8.773 -20.154 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.280 -9.827 -20.961 1.00 0.00 H new ATOM 717 N THR A 48 -13.091 -9.653 -18.308 1.00 0.00 N ATOM 718 CA THR A 48 -14.438 -10.203 -18.384 1.00 0.00 C ATOM 719 C THR A 48 -15.315 -9.383 -19.323 1.00 0.00 C ATOM 720 O THR A 48 -16.387 -9.828 -19.735 1.00 0.00 O ATOM 721 CB THR A 48 -15.102 -10.256 -16.995 1.00 0.00 C ATOM 722 OG1 THR A 48 -16.285 -11.062 -17.048 1.00 0.00 O ATOM 723 CG2 THR A 48 -15.457 -8.858 -16.511 1.00 0.00 C ATOM 0 H THR A 48 -12.980 -8.903 -17.626 1.00 0.00 H new ATOM 0 HA THR A 48 -14.344 -11.217 -18.773 1.00 0.00 H new ATOM 0 HB THR A 48 -14.393 -10.697 -16.294 1.00 0.00 H new ATOM 0 HG1 THR A 48 -16.661 -11.033 -17.953 1.00 0.00 H new ATOM 0 HG21 THR A 48 -15.925 -8.921 -15.528 1.00 0.00 H new ATOM 0 HG22 THR A 48 -14.551 -8.255 -16.444 1.00 0.00 H new ATOM 0 HG23 THR A 48 -16.150 -8.395 -17.213 1.00 0.00 H new ATOM 731 N ASP A 49 -14.854 -8.184 -19.659 1.00 0.00 N ATOM 732 CA ASP A 49 -15.596 -7.301 -20.552 1.00 0.00 C ATOM 733 C ASP A 49 -14.985 -7.303 -21.949 1.00 0.00 C ATOM 734 O ASP A 49 -15.463 -6.613 -22.848 1.00 0.00 O ATOM 735 CB ASP A 49 -15.619 -5.877 -19.994 1.00 0.00 C ATOM 736 CG ASP A 49 -14.963 -5.779 -18.630 1.00 0.00 C ATOM 737 OD1 ASP A 49 -15.661 -5.998 -17.619 1.00 0.00 O ATOM 738 OD2 ASP A 49 -13.751 -5.483 -18.575 1.00 0.00 O ATOM 0 H ASP A 49 -13.969 -7.800 -19.326 1.00 0.00 H new ATOM 0 HA ASP A 49 -16.619 -7.672 -20.622 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -15.109 -5.210 -20.688 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -16.651 -5.534 -19.923 1.00 0.00 H new ATOM 743 N GLY A 50 -13.922 -8.083 -22.124 1.00 0.00 N ATOM 744 CA GLY A 50 -13.262 -8.159 -23.414 1.00 0.00 C ATOM 745 C GLY A 50 -12.986 -6.791 -24.006 1.00 0.00 C ATOM 746 O GLY A 50 -13.062 -6.606 -25.221 1.00 0.00 O ATOM 0 H GLY A 50 -13.507 -8.663 -21.395 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.323 -8.701 -23.307 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.883 -8.731 -24.103 1.00 0.00 H new ATOM 750 N ASP A 51 -12.668 -5.830 -23.146 1.00 0.00 N ATOM 751 CA ASP A 51 -12.381 -4.471 -23.591 1.00 0.00 C ATOM 752 C ASP A 51 -10.883 -4.189 -23.544 1.00 0.00 C ATOM 753 O ASP A 51 -10.110 -4.971 -22.991 1.00 0.00 O ATOM 754 CB ASP A 51 -13.130 -3.459 -22.723 1.00 0.00 C ATOM 755 CG ASP A 51 -12.497 -3.286 -21.356 1.00 0.00 C ATOM 756 OD1 ASP A 51 -12.254 -4.309 -20.681 1.00 0.00 O ATOM 757 OD2 ASP A 51 -12.243 -2.129 -20.962 1.00 0.00 O ATOM 0 H ASP A 51 -12.602 -5.966 -22.137 1.00 0.00 H new ATOM 0 HA ASP A 51 -12.719 -4.374 -24.623 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -13.155 -2.496 -23.233 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -14.164 -3.783 -22.603 1.00 0.00 H new ATOM 762 N GLY A 52 -10.478 -3.065 -24.129 1.00 0.00 N ATOM 763 CA GLY A 52 -9.074 -2.701 -24.144 1.00 0.00 C ATOM 764 C GLY A 52 -8.642 -2.005 -22.868 1.00 0.00 C ATOM 765 O GLY A 52 -7.908 -1.017 -22.909 1.00 0.00 O ATOM 0 H GLY A 52 -11.098 -2.401 -24.593 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.471 -3.598 -24.287 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.880 -2.047 -24.994 1.00 0.00 H new ATOM 769 N PHE A 53 -9.098 -2.520 -21.731 1.00 0.00 N ATOM 770 CA PHE A 53 -8.757 -1.940 -20.438 1.00 0.00 C ATOM 771 C PHE A 53 -9.062 -2.917 -19.306 1.00 0.00 C ATOM 772 O PHE A 53 -9.971 -3.740 -19.411 1.00 0.00 O ATOM 773 CB PHE A 53 -9.525 -0.635 -20.221 1.00 0.00 C ATOM 774 CG PHE A 53 -8.842 0.568 -20.807 1.00 0.00 C ATOM 775 CD1 PHE A 53 -7.664 1.048 -20.257 1.00 0.00 C ATOM 776 CD2 PHE A 53 -9.377 1.218 -21.908 1.00 0.00 C ATOM 777 CE1 PHE A 53 -7.034 2.154 -20.794 1.00 0.00 C ATOM 778 CE2 PHE A 53 -8.751 2.325 -22.449 1.00 0.00 C ATOM 779 CZ PHE A 53 -7.577 2.793 -21.892 1.00 0.00 C ATOM 0 H PHE A 53 -9.705 -3.338 -21.679 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.688 -1.729 -20.434 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -10.518 -0.730 -20.661 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.664 -0.478 -19.151 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.234 0.552 -19.399 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -10.294 0.855 -22.348 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -6.117 2.519 -20.356 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -9.179 2.823 -23.306 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.084 3.657 -22.314 1.00 0.00 H new ATOM 789 N ILE A 54 -8.295 -2.819 -18.225 1.00 0.00 N ATOM 790 CA ILE A 54 -8.484 -3.693 -17.074 1.00 0.00 C ATOM 791 C ILE A 54 -8.257 -2.939 -15.768 1.00 0.00 C ATOM 792 O ILE A 54 -7.256 -2.241 -15.608 1.00 0.00 O ATOM 793 CB ILE A 54 -7.534 -4.904 -17.125 1.00 0.00 C ATOM 794 CG1 ILE A 54 -6.126 -4.459 -17.525 1.00 0.00 C ATOM 795 CG2 ILE A 54 -8.061 -5.949 -18.097 1.00 0.00 C ATOM 796 CD1 ILE A 54 -5.033 -5.354 -16.984 1.00 0.00 C ATOM 0 H ILE A 54 -7.538 -2.144 -18.122 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.514 -4.047 -17.113 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.485 -5.351 -16.132 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.057 -4.432 -18.613 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.961 -3.442 -17.170 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.379 -6.799 -18.122 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.046 -6.284 -17.772 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.136 -5.514 -19.094 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.062 -4.978 -17.307 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.075 -5.362 -15.895 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.173 -6.367 -17.360 1.00 0.00 H new ATOM 808 N ASP A 55 -9.193 -3.085 -14.837 1.00 0.00 N ATOM 809 CA ASP A 55 -9.095 -2.420 -13.543 1.00 0.00 C ATOM 810 C ASP A 55 -8.165 -3.186 -12.608 1.00 0.00 C ATOM 811 O ASP A 55 -7.600 -4.214 -12.982 1.00 0.00 O ATOM 812 CB ASP A 55 -10.480 -2.286 -12.908 1.00 0.00 C ATOM 813 CG ASP A 55 -11.549 -1.927 -13.921 1.00 0.00 C ATOM 814 OD1 ASP A 55 -11.917 -2.803 -14.731 1.00 0.00 O ATOM 815 OD2 ASP A 55 -12.018 -0.769 -13.905 1.00 0.00 O ATOM 0 H ASP A 55 -10.029 -3.658 -14.954 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.680 -1.425 -13.704 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -10.746 -3.224 -12.421 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -10.448 -1.522 -12.131 1.00 0.00 H new ATOM 820 N PHE A 56 -8.010 -2.678 -11.389 1.00 0.00 N ATOM 821 CA PHE A 56 -7.146 -3.313 -10.401 1.00 0.00 C ATOM 822 C PHE A 56 -7.563 -4.763 -10.166 1.00 0.00 C ATOM 823 O PHE A 56 -6.723 -5.661 -10.120 1.00 0.00 O ATOM 824 CB PHE A 56 -7.190 -2.539 -9.082 1.00 0.00 C ATOM 825 CG PHE A 56 -5.911 -2.617 -8.298 1.00 0.00 C ATOM 826 CD1 PHE A 56 -4.699 -2.307 -8.893 1.00 0.00 C ATOM 827 CD2 PHE A 56 -5.921 -3.002 -6.967 1.00 0.00 C ATOM 828 CE1 PHE A 56 -3.520 -2.377 -8.174 1.00 0.00 C ATOM 829 CE2 PHE A 56 -4.746 -3.074 -6.244 1.00 0.00 C ATOM 830 CZ PHE A 56 -3.544 -2.763 -6.848 1.00 0.00 C ATOM 0 H PHE A 56 -8.471 -1.829 -11.062 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.127 -3.304 -10.787 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -7.415 -1.493 -9.291 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -8.006 -2.925 -8.471 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.675 -2.007 -9.930 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.858 -3.249 -6.489 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.582 -2.130 -8.649 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.768 -3.373 -5.207 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.624 -2.821 -6.285 1.00 0.00 H new ATOM 840 N ASN A 57 -8.865 -4.981 -10.018 1.00 0.00 N ATOM 841 CA ASN A 57 -9.394 -6.321 -9.787 1.00 0.00 C ATOM 842 C ASN A 57 -9.069 -7.243 -10.959 1.00 0.00 C ATOM 843 O ASN A 57 -8.688 -8.397 -10.765 1.00 0.00 O ATOM 844 CB ASN A 57 -10.907 -6.264 -9.572 1.00 0.00 C ATOM 845 CG ASN A 57 -11.326 -6.875 -8.249 1.00 0.00 C ATOM 846 OD1 ASN A 57 -12.307 -7.615 -8.177 1.00 0.00 O ATOM 847 ND2 ASN A 57 -10.582 -6.566 -7.193 1.00 0.00 N ATOM 0 H ASN A 57 -9.573 -4.248 -10.054 1.00 0.00 H new ATOM 0 HA ASN A 57 -8.922 -6.722 -8.890 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.238 -5.226 -9.611 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.407 -6.789 -10.386 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -10.815 -6.946 -6.276 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -9.777 -5.948 -7.299 1.00 0.00 H new ATOM 854 N GLU A 58 -9.223 -6.725 -12.173 1.00 0.00 N ATOM 855 CA GLU A 58 -8.947 -7.502 -13.375 1.00 0.00 C ATOM 856 C GLU A 58 -7.456 -7.802 -13.498 1.00 0.00 C ATOM 857 O GLU A 58 -7.051 -8.960 -13.611 1.00 0.00 O ATOM 858 CB GLU A 58 -9.431 -6.751 -14.618 1.00 0.00 C ATOM 859 CG GLU A 58 -10.939 -6.789 -14.802 1.00 0.00 C ATOM 860 CD GLU A 58 -11.372 -6.292 -16.168 1.00 0.00 C ATOM 861 OE1 GLU A 58 -11.245 -5.076 -16.424 1.00 0.00 O ATOM 862 OE2 GLU A 58 -11.839 -7.118 -16.980 1.00 0.00 O ATOM 0 H GLU A 58 -9.537 -5.771 -12.350 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.486 -8.446 -13.297 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.107 -5.712 -14.554 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.955 -7.180 -15.500 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.293 -7.810 -14.662 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.411 -6.180 -14.031 1.00 0.00 H new ATOM 869 N PHE A 59 -6.643 -6.751 -13.477 1.00 0.00 N ATOM 870 CA PHE A 59 -5.197 -6.901 -13.587 1.00 0.00 C ATOM 871 C PHE A 59 -4.654 -7.787 -12.470 1.00 0.00 C ATOM 872 O PHE A 59 -3.729 -8.572 -12.679 1.00 0.00 O ATOM 873 CB PHE A 59 -4.516 -5.531 -13.543 1.00 0.00 C ATOM 874 CG PHE A 59 -3.073 -5.566 -13.958 1.00 0.00 C ATOM 875 CD1 PHE A 59 -2.673 -6.298 -15.064 1.00 0.00 C ATOM 876 CD2 PHE A 59 -2.115 -4.866 -13.241 1.00 0.00 C ATOM 877 CE1 PHE A 59 -1.346 -6.331 -15.448 1.00 0.00 C ATOM 878 CE2 PHE A 59 -0.787 -4.895 -13.621 1.00 0.00 C ATOM 879 CZ PHE A 59 -0.401 -5.630 -14.725 1.00 0.00 C ATOM 0 H PHE A 59 -6.961 -5.786 -13.385 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.979 -7.378 -14.543 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.057 -4.844 -14.194 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.585 -5.132 -12.531 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.407 -6.849 -15.633 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.410 -4.291 -12.375 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.048 -6.905 -16.313 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.051 -4.343 -13.055 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.637 -5.656 -15.022 1.00 0.00 H new ATOM 889 N ILE A 60 -5.237 -7.655 -11.283 1.00 0.00 N ATOM 890 CA ILE A 60 -4.814 -8.443 -10.132 1.00 0.00 C ATOM 891 C ILE A 60 -5.115 -9.924 -10.339 1.00 0.00 C ATOM 892 O ILE A 60 -4.270 -10.781 -10.083 1.00 0.00 O ATOM 893 CB ILE A 60 -5.501 -7.967 -8.839 1.00 0.00 C ATOM 894 CG1 ILE A 60 -4.776 -6.745 -8.271 1.00 0.00 C ATOM 895 CG2 ILE A 60 -5.540 -9.091 -7.815 1.00 0.00 C ATOM 896 CD1 ILE A 60 -3.473 -7.083 -7.582 1.00 0.00 C ATOM 0 H ILE A 60 -6.004 -7.010 -11.093 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.737 -8.303 -10.033 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.526 -7.681 -9.074 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.578 -6.041 -9.080 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.432 -6.240 -7.562 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.029 -8.739 -6.907 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.096 -9.935 -8.222 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.523 -9.406 -7.581 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.014 -6.170 -7.204 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.666 -7.763 -6.752 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.799 -7.561 -8.293 1.00 0.00 H new ATOM 908 N SER A 61 -6.325 -10.216 -10.806 1.00 0.00 N ATOM 909 CA SER A 61 -6.739 -11.593 -11.046 1.00 0.00 C ATOM 910 C SER A 61 -5.671 -12.354 -11.825 1.00 0.00 C ATOM 911 O SER A 61 -5.555 -13.575 -11.713 1.00 0.00 O ATOM 912 CB SER A 61 -8.063 -11.624 -11.811 1.00 0.00 C ATOM 913 OG SER A 61 -9.167 -11.572 -10.924 1.00 0.00 O ATOM 0 H SER A 61 -7.035 -9.518 -11.025 1.00 0.00 H new ATOM 0 HA SER A 61 -6.874 -12.079 -10.080 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.107 -10.782 -12.501 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.118 -12.532 -12.412 1.00 0.00 H new ATOM 0 HG SER A 61 -9.308 -10.647 -10.631 1.00 0.00 H new ATOM 919 N PHE A 62 -4.891 -11.624 -12.615 1.00 0.00 N ATOM 920 CA PHE A 62 -3.832 -12.228 -13.415 1.00 0.00 C ATOM 921 C PHE A 62 -2.753 -12.833 -12.521 1.00 0.00 C ATOM 922 O PHE A 62 -2.299 -13.955 -12.749 1.00 0.00 O ATOM 923 CB PHE A 62 -3.212 -11.188 -14.350 1.00 0.00 C ATOM 924 CG PHE A 62 -2.513 -11.788 -15.536 1.00 0.00 C ATOM 925 CD1 PHE A 62 -1.525 -12.743 -15.364 1.00 0.00 C ATOM 926 CD2 PHE A 62 -2.846 -11.397 -16.823 1.00 0.00 C ATOM 927 CE1 PHE A 62 -0.880 -13.296 -16.454 1.00 0.00 C ATOM 928 CE2 PHE A 62 -2.205 -11.947 -17.917 1.00 0.00 C ATOM 929 CZ PHE A 62 -1.221 -12.899 -17.732 1.00 0.00 C ATOM 0 H PHE A 62 -4.972 -10.613 -12.718 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.273 -13.025 -14.013 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.994 -10.515 -14.702 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.501 -10.583 -13.787 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.256 -13.059 -14.367 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.615 -10.654 -16.973 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.110 -14.038 -16.306 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.473 -11.633 -18.915 1.00 0.00 H new ATOM 0 HZ PHE A 62 -0.720 -13.332 -18.585 1.00 0.00 H new ATOM 939 N CYS A 63 -2.347 -12.081 -11.504 1.00 0.00 N ATOM 940 CA CYS A 63 -1.320 -12.540 -10.576 1.00 0.00 C ATOM 941 C CYS A 63 -1.880 -13.591 -9.622 1.00 0.00 C ATOM 942 O CYS A 63 -1.245 -14.613 -9.367 1.00 0.00 O ATOM 943 CB CYS A 63 -0.757 -11.361 -9.781 1.00 0.00 C ATOM 944 SG CYS A 63 0.459 -11.830 -8.527 1.00 0.00 S ATOM 0 H CYS A 63 -2.713 -11.151 -11.301 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.517 -12.993 -11.157 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -0.296 -10.657 -10.473 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.581 -10.838 -9.295 1.00 0.00 H new ATOM 0 HG CYS A 63 0.878 -10.766 -7.910 1.00 0.00 H new ATOM 950 N ASN A 64 -3.073 -13.330 -9.097 1.00 0.00 N ATOM 951 CA ASN A 64 -3.718 -14.252 -8.169 1.00 0.00 C ATOM 952 C ASN A 64 -3.876 -15.633 -8.797 1.00 0.00 C ATOM 953 O ASN A 64 -3.955 -16.640 -8.094 1.00 0.00 O ATOM 954 CB ASN A 64 -5.086 -13.711 -7.749 1.00 0.00 C ATOM 955 CG ASN A 64 -5.092 -13.199 -6.321 1.00 0.00 C ATOM 956 OD1 ASN A 64 -5.534 -13.891 -5.404 1.00 0.00 O ATOM 957 ND2 ASN A 64 -4.598 -11.982 -6.127 1.00 0.00 N ATOM 0 H ASN A 64 -3.612 -12.488 -9.298 1.00 0.00 H new ATOM 0 HA ASN A 64 -3.084 -14.344 -7.287 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.377 -12.905 -8.422 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -5.833 -14.498 -7.853 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.574 -11.585 -5.188 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.242 -11.444 -6.917 1.00 0.00 H new ATOM 964 N ALA A 65 -3.921 -15.672 -10.125 1.00 0.00 N ATOM 965 CA ALA A 65 -4.067 -16.930 -10.847 1.00 0.00 C ATOM 966 C ALA A 65 -2.731 -17.656 -10.961 1.00 0.00 C ATOM 967 O ALA A 65 -2.688 -18.860 -11.207 1.00 0.00 O ATOM 968 CB ALA A 65 -4.653 -16.679 -12.229 1.00 0.00 C ATOM 0 H ALA A 65 -3.858 -14.847 -10.722 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.750 -17.567 -10.284 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.757 -17.626 -12.758 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.632 -16.210 -12.129 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.991 -16.021 -12.791 1.00 0.00 H new ATOM 974 N ASN A 66 -1.643 -16.915 -10.780 1.00 0.00 N ATOM 975 CA ASN A 66 -0.304 -17.488 -10.864 1.00 0.00 C ATOM 976 C ASN A 66 -0.154 -18.336 -12.123 1.00 0.00 C ATOM 977 O ASN A 66 0.207 -19.512 -12.070 1.00 0.00 O ATOM 978 CB ASN A 66 -0.013 -18.338 -9.625 1.00 0.00 C ATOM 979 CG ASN A 66 0.362 -17.496 -8.422 1.00 0.00 C ATOM 980 OD1 ASN A 66 1.538 -17.370 -8.080 1.00 0.00 O ATOM 981 ND2 ASN A 66 -0.639 -16.913 -7.772 1.00 0.00 N ATOM 0 H ASN A 66 -1.662 -15.916 -10.574 1.00 0.00 H new ATOM 0 HA ASN A 66 0.413 -16.669 -10.912 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -0.891 -18.939 -9.385 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.798 -19.032 -9.846 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.448 -16.334 -6.955 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.599 -17.045 -8.090 1.00 0.00 H new ATOM 988 N PRO A 67 -0.437 -17.727 -13.284 1.00 0.00 N ATOM 989 CA PRO A 67 -0.339 -18.407 -14.579 1.00 0.00 C ATOM 990 C PRO A 67 1.105 -18.701 -14.972 1.00 0.00 C ATOM 991 O PRO A 67 1.374 -19.622 -15.742 1.00 0.00 O ATOM 992 CB PRO A 67 -0.965 -17.406 -15.554 1.00 0.00 C ATOM 993 CG PRO A 67 -0.782 -16.079 -14.902 1.00 0.00 C ATOM 994 CD PRO A 67 -0.873 -16.327 -13.422 1.00 0.00 C ATOM 0 HA PRO A 67 -0.834 -19.378 -14.567 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.474 -17.441 -16.527 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.020 -17.623 -15.721 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.182 -15.644 -15.166 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.548 -15.376 -15.227 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.231 -15.649 -12.861 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.888 -16.184 -13.052 1.00 0.00 H new ATOM 1002 N GLY A 68 2.032 -17.912 -14.437 1.00 0.00 N ATOM 1003 CA GLY A 68 3.437 -18.104 -14.744 1.00 0.00 C ATOM 1004 C GLY A 68 3.984 -17.026 -15.659 1.00 0.00 C ATOM 1005 O GLY A 68 5.097 -17.143 -16.172 1.00 0.00 O ATOM 0 H GLY A 68 1.835 -17.143 -13.796 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.010 -18.114 -13.817 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.573 -19.078 -15.214 1.00 0.00 H new ATOM 1009 N LEU A 69 3.199 -15.974 -15.866 1.00 0.00 N ATOM 1010 CA LEU A 69 3.610 -14.871 -16.727 1.00 0.00 C ATOM 1011 C LEU A 69 4.091 -13.684 -15.899 1.00 0.00 C ATOM 1012 O LEU A 69 5.238 -13.253 -16.021 1.00 0.00 O ATOM 1013 CB LEU A 69 2.451 -14.443 -17.628 1.00 0.00 C ATOM 1014 CG LEU A 69 1.977 -15.477 -18.650 1.00 0.00 C ATOM 1015 CD1 LEU A 69 3.122 -15.890 -19.562 1.00 0.00 C ATOM 1016 CD2 LEU A 69 1.389 -16.691 -17.946 1.00 0.00 C ATOM 0 H LEU A 69 2.275 -15.862 -15.449 1.00 0.00 H new ATOM 0 HA LEU A 69 4.437 -15.216 -17.348 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.606 -14.174 -16.995 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.748 -13.542 -18.164 1.00 0.00 H new ATOM 0 HG LEU A 69 1.198 -15.024 -19.262 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.766 -16.626 -20.283 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.498 -15.015 -20.093 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.924 -16.325 -18.965 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.057 -17.417 -18.688 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.148 -17.145 -17.309 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.540 -16.382 -17.336 1.00 0.00 H new ATOM 1028 N MET A 70 3.208 -13.161 -15.055 1.00 0.00 N ATOM 1029 CA MET A 70 3.544 -12.026 -14.204 1.00 0.00 C ATOM 1030 C MET A 70 4.708 -12.366 -13.278 1.00 0.00 C ATOM 1031 O MET A 70 5.409 -11.478 -12.793 1.00 0.00 O ATOM 1032 CB MET A 70 2.328 -11.602 -13.378 1.00 0.00 C ATOM 1033 CG MET A 70 1.084 -11.350 -14.214 1.00 0.00 C ATOM 1034 SD MET A 70 0.652 -9.602 -14.308 1.00 0.00 S ATOM 1035 CE MET A 70 1.850 -9.020 -15.505 1.00 0.00 C ATOM 0 H MET A 70 2.254 -13.505 -14.942 1.00 0.00 H new ATOM 0 HA MET A 70 3.844 -11.199 -14.847 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.111 -12.376 -12.642 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.573 -10.696 -12.824 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.244 -11.735 -15.221 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.247 -11.905 -13.789 1.00 0.00 H new ATOM 0 HE1 MET A 70 1.543 -8.045 -15.883 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.827 -8.934 -15.029 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.910 -9.727 -16.332 1.00 0.00 H new ATOM 1045 N LYS A 71 4.908 -13.657 -13.037 1.00 0.00 N ATOM 1046 CA LYS A 71 5.988 -14.115 -12.170 1.00 0.00 C ATOM 1047 C LYS A 71 7.313 -13.471 -12.565 1.00 0.00 C ATOM 1048 O LYS A 71 8.059 -12.991 -11.711 1.00 0.00 O ATOM 1049 CB LYS A 71 6.110 -15.639 -12.236 1.00 0.00 C ATOM 1050 CG LYS A 71 4.830 -16.369 -11.866 1.00 0.00 C ATOM 1051 CD LYS A 71 4.565 -16.305 -10.371 1.00 0.00 C ATOM 1052 CE LYS A 71 3.647 -15.144 -10.017 1.00 0.00 C ATOM 1053 NZ LYS A 71 3.891 -14.646 -8.635 1.00 0.00 N ATOM 0 H LYS A 71 4.337 -14.405 -13.430 1.00 0.00 H new ATOM 0 HA LYS A 71 5.751 -13.819 -11.148 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.404 -15.928 -13.245 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.908 -15.960 -11.567 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.990 -15.929 -12.405 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.900 -17.410 -12.180 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.114 -17.241 -10.040 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.509 -16.199 -9.837 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.798 -14.332 -10.728 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.608 -15.461 -10.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.246 -13.856 -8.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.722 -15.414 -7.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.875 -14.320 -8.552 1.00 0.00 H new ATOM 1067 N ASP A 72 7.598 -13.462 -13.862 1.00 0.00 N ATOM 1068 CA ASP A 72 8.833 -12.875 -14.369 1.00 0.00 C ATOM 1069 C ASP A 72 8.675 -11.371 -14.573 1.00 0.00 C ATOM 1070 O ASP A 72 9.647 -10.619 -14.503 1.00 0.00 O ATOM 1071 CB ASP A 72 9.237 -13.541 -15.685 1.00 0.00 C ATOM 1072 CG ASP A 72 9.832 -14.920 -15.478 1.00 0.00 C ATOM 1073 OD1 ASP A 72 11.053 -15.008 -15.231 1.00 0.00 O ATOM 1074 OD2 ASP A 72 9.076 -15.911 -15.562 1.00 0.00 O ATOM 0 H ASP A 72 6.991 -13.854 -14.582 1.00 0.00 H new ATOM 0 HA ASP A 72 9.617 -13.044 -13.630 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.364 -13.619 -16.332 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.961 -12.910 -16.201 1.00 0.00 H new ATOM 1079 N VAL A 73 7.443 -10.940 -14.828 1.00 0.00 N ATOM 1080 CA VAL A 73 7.157 -9.526 -15.043 1.00 0.00 C ATOM 1081 C VAL A 73 7.340 -8.727 -13.757 1.00 0.00 C ATOM 1082 O VAL A 73 8.188 -7.838 -13.682 1.00 0.00 O ATOM 1083 CB VAL A 73 5.724 -9.316 -15.565 1.00 0.00 C ATOM 1084 CG1 VAL A 73 5.470 -7.844 -15.852 1.00 0.00 C ATOM 1085 CG2 VAL A 73 5.481 -10.160 -16.807 1.00 0.00 C ATOM 0 H VAL A 73 6.628 -11.550 -14.891 1.00 0.00 H new ATOM 0 HA VAL A 73 7.864 -9.170 -15.792 1.00 0.00 H new ATOM 0 HB VAL A 73 5.024 -9.636 -14.793 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.452 -7.715 -16.220 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.600 -7.267 -14.936 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.175 -7.493 -16.605 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.463 -9.999 -17.163 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.187 -9.873 -17.586 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.618 -11.214 -16.564 1.00 0.00 H new ATOM 1095 N ALA A 74 6.540 -9.051 -12.747 1.00 0.00 N ATOM 1096 CA ALA A 74 6.615 -8.365 -11.463 1.00 0.00 C ATOM 1097 C ALA A 74 8.043 -8.355 -10.928 1.00 0.00 C ATOM 1098 O ALA A 74 8.426 -7.467 -10.167 1.00 0.00 O ATOM 1099 CB ALA A 74 5.678 -9.020 -10.459 1.00 0.00 C ATOM 0 H ALA A 74 5.832 -9.784 -12.793 1.00 0.00 H new ATOM 0 HA ALA A 74 6.304 -7.331 -11.613 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.744 -8.497 -9.505 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.654 -8.969 -10.830 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.963 -10.063 -10.322 1.00 0.00 H new ATOM 1105 N LYS A 75 8.827 -9.350 -11.331 1.00 0.00 N ATOM 1106 CA LYS A 75 10.213 -9.457 -10.893 1.00 0.00 C ATOM 1107 C LYS A 75 11.012 -8.227 -11.311 1.00 0.00 C ATOM 1108 O LYS A 75 11.960 -7.830 -10.634 1.00 0.00 O ATOM 1109 CB LYS A 75 10.857 -10.718 -11.474 1.00 0.00 C ATOM 1110 CG LYS A 75 11.843 -10.437 -12.594 1.00 0.00 C ATOM 1111 CD LYS A 75 12.228 -11.709 -13.331 1.00 0.00 C ATOM 1112 CE LYS A 75 12.796 -12.752 -12.381 1.00 0.00 C ATOM 1113 NZ LYS A 75 14.084 -13.312 -12.879 1.00 0.00 N ATOM 0 H LYS A 75 8.525 -10.094 -11.960 1.00 0.00 H new ATOM 0 HA LYS A 75 10.220 -9.521 -9.805 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.370 -11.254 -10.676 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.073 -11.377 -11.848 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.405 -9.727 -13.296 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.737 -9.969 -12.183 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.353 -12.116 -13.839 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.964 -11.477 -14.100 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.950 -12.304 -11.399 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.074 -13.559 -12.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.439 -14.019 -12.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.932 -13.762 -13.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.781 -12.546 -12.977 1.00 0.00 H new ATOM 1127 N VAL A 76 10.623 -7.626 -12.431 1.00 0.00 N ATOM 1128 CA VAL A 76 11.301 -6.439 -12.938 1.00 0.00 C ATOM 1129 C VAL A 76 10.855 -5.189 -12.188 1.00 0.00 C ATOM 1130 O VAL A 76 11.515 -4.151 -12.243 1.00 0.00 O ATOM 1131 CB VAL A 76 11.038 -6.243 -14.443 1.00 0.00 C ATOM 1132 CG1 VAL A 76 12.061 -5.291 -15.044 1.00 0.00 C ATOM 1133 CG2 VAL A 76 11.054 -7.581 -15.166 1.00 0.00 C ATOM 0 H VAL A 76 9.841 -7.942 -13.005 1.00 0.00 H new ATOM 0 HA VAL A 76 12.369 -6.592 -12.780 1.00 0.00 H new ATOM 0 HB VAL A 76 10.049 -5.802 -14.566 1.00 0.00 H new ATOM 0 HG11 VAL A 76 11.859 -5.165 -16.108 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.996 -4.324 -14.545 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.062 -5.701 -14.911 1.00 0.00 H new ATOM 0 HG21 VAL A 76 10.866 -7.423 -16.228 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.028 -8.053 -15.036 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.279 -8.227 -14.753 1.00 0.00 H new ATOM 1143 N PHE A 77 9.731 -5.295 -11.487 1.00 0.00 N ATOM 1144 CA PHE A 77 9.196 -4.173 -10.726 1.00 0.00 C ATOM 1145 C PHE A 77 9.258 -4.454 -9.227 1.00 0.00 C ATOM 1146 O PHE A 77 8.443 -5.206 -8.693 1.00 0.00 O ATOM 1147 CB PHE A 77 7.753 -3.887 -11.144 1.00 0.00 C ATOM 1148 CG PHE A 77 7.582 -3.705 -12.625 1.00 0.00 C ATOM 1149 CD1 PHE A 77 7.848 -2.483 -13.221 1.00 0.00 C ATOM 1150 CD2 PHE A 77 7.156 -4.756 -13.421 1.00 0.00 C ATOM 1151 CE1 PHE A 77 7.692 -2.313 -14.584 1.00 0.00 C ATOM 1152 CE2 PHE A 77 6.999 -4.592 -14.784 1.00 0.00 C ATOM 1153 CZ PHE A 77 7.267 -3.368 -15.366 1.00 0.00 C ATOM 0 H PHE A 77 9.173 -6.147 -11.430 1.00 0.00 H new ATOM 0 HA PHE A 77 9.808 -3.297 -10.939 1.00 0.00 H new ATOM 0 HB2 PHE A 77 7.118 -4.708 -10.811 1.00 0.00 H new ATOM 0 HB3 PHE A 77 7.407 -2.988 -10.633 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.181 -1.654 -12.614 1.00 0.00 H new ATOM 0 HD2 PHE A 77 6.944 -5.715 -12.971 1.00 0.00 H new ATOM 0 HE1 PHE A 77 7.903 -1.355 -15.037 1.00 0.00 H new ATOM 0 HE2 PHE A 77 6.667 -5.420 -15.394 1.00 0.00 H new ATOM 0 HZ PHE A 77 7.144 -3.237 -16.431 1.00 0.00 H new