USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 590 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 18 ASN : amide:sc= -1.88 K(o=-3.4,f=-18!) USER MOD Set 1.2: A 21 THR OG1 : rot -170:sc= -1.56! USER MOD Single : A 2 SER OG : rot 37:sc= 0.0894 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -173:sc= 0.124 (180deg=0.109) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 170:sc= -0.3 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -76:sc= -0.0487 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN : amide:sc= -3.67 K(o=-3.7,f=-0.84) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 129:sc= -2.35! USER MOD Single : A 54 LYS NZ :NH3+ -168:sc= -0.0277 (180deg=-0.162) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.655 K(o=-0.66,f=-4.3) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 39:sc= 0.612 USER MOD Single : A 65 THR OG1 : rot 180:sc=-0.000327 USER MOD Single : A 66 SER OG : rot -116:sc= 0.742 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0505 USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 9.211 -6.406 3.289 1.00 1.27 N ATOM 19 CA SER A 2 9.465 -5.101 3.886 1.00 0.64 C ATOM 20 C SER A 2 10.608 -4.391 3.173 1.00 0.57 C ATOM 21 O SER A 2 11.655 -4.130 3.768 1.00 0.62 O ATOM 22 CB SER A 2 9.805 -5.262 5.368 1.00 1.37 C ATOM 23 OG SER A 2 8.761 -5.920 6.063 1.00 2.15 O ATOM 0 HA SER A 2 8.563 -4.497 3.783 1.00 0.64 H new ATOM 0 HB2 SER A 2 10.730 -5.830 5.472 1.00 1.37 H new ATOM 0 HB3 SER A 2 9.981 -4.282 5.812 1.00 1.37 H new ATOM 0 HG SER A 2 8.373 -6.614 5.490 1.00 2.15 H new ATOM 29 N ILE A 3 10.418 -4.104 1.891 1.00 0.57 N ATOM 30 CA ILE A 3 11.452 -3.454 1.101 1.00 0.52 C ATOM 31 C ILE A 3 11.495 -1.943 1.308 1.00 0.43 C ATOM 32 O ILE A 3 12.560 -1.334 1.200 1.00 0.47 O ATOM 33 CB ILE A 3 11.270 -3.768 -0.394 1.00 0.54 C ATOM 34 CG1 ILE A 3 11.237 -5.284 -0.596 1.00 0.67 C ATOM 35 CG2 ILE A 3 12.393 -3.143 -1.206 1.00 0.53 C ATOM 36 CD1 ILE A 3 11.208 -5.715 -2.048 1.00 0.52 C ATOM 0 H ILE A 3 9.560 -4.311 1.379 1.00 0.57 H new ATOM 0 HA ILE A 3 12.403 -3.857 1.449 1.00 0.52 H new ATOM 0 HB ILE A 3 10.327 -3.344 -0.739 1.00 0.54 H new ATOM 0 HG12 ILE A 3 12.112 -5.723 -0.116 1.00 0.67 H new ATOM 0 HG13 ILE A 3 10.360 -5.688 -0.091 1.00 0.67 H new ATOM 0 HG21 ILE A 3 12.251 -3.374 -2.262 1.00 0.53 H new ATOM 0 HG22 ILE A 3 12.385 -2.062 -1.067 1.00 0.53 H new ATOM 0 HG23 ILE A 3 13.350 -3.545 -0.873 1.00 0.53 H new ATOM 0 HD11 ILE A 3 11.186 -6.803 -2.104 1.00 0.52 H new ATOM 0 HD12 ILE A 3 10.319 -5.308 -2.531 1.00 0.52 H new ATOM 0 HD13 ILE A 3 12.098 -5.344 -2.556 1.00 0.52 H new ATOM 48 N TRP A 4 10.355 -1.331 1.606 1.00 0.37 N ATOM 49 CA TRP A 4 10.313 0.110 1.817 1.00 0.31 C ATOM 50 C TRP A 4 9.992 0.444 3.270 1.00 0.34 C ATOM 51 O TRP A 4 9.383 -0.356 3.981 1.00 0.39 O ATOM 52 CB TRP A 4 9.288 0.750 0.881 1.00 0.31 C ATOM 53 CG TRP A 4 9.681 0.642 -0.560 1.00 0.27 C ATOM 54 CD1 TRP A 4 9.233 -0.274 -1.467 1.00 0.27 C ATOM 55 CD2 TRP A 4 10.615 1.475 -1.256 1.00 0.25 C ATOM 56 NE1 TRP A 4 9.838 -0.064 -2.683 1.00 0.25 N ATOM 57 CE2 TRP A 4 10.685 1.005 -2.581 1.00 0.24 C ATOM 58 CE3 TRP A 4 11.397 2.574 -0.889 1.00 0.26 C ATOM 59 CZ2 TRP A 4 11.508 1.594 -3.538 1.00 0.25 C ATOM 60 CZ3 TRP A 4 12.212 3.159 -1.840 1.00 0.26 C ATOM 61 CH2 TRP A 4 12.261 2.668 -3.150 1.00 0.26 C ATOM 0 H TRP A 4 9.457 -1.804 1.706 1.00 0.37 H new ATOM 0 HA TRP A 4 11.299 0.516 1.591 1.00 0.31 H new ATOM 0 HB2 TRP A 4 8.319 0.272 1.027 1.00 0.31 H new ATOM 0 HB3 TRP A 4 9.167 1.801 1.144 1.00 0.31 H new ATOM 0 HD1 TRP A 4 8.510 -1.049 -1.260 1.00 0.27 H new ATOM 0 HE1 TRP A 4 9.681 -0.616 -3.526 1.00 0.25 H new ATOM 0 HE3 TRP A 4 11.365 2.959 0.119 1.00 0.26 H new ATOM 0 HZ2 TRP A 4 11.550 1.217 -4.549 1.00 0.25 H new ATOM 0 HZ3 TRP A 4 12.821 4.009 -1.568 1.00 0.26 H new ATOM 0 HH2 TRP A 4 12.907 3.148 -3.870 1.00 0.26 H new ATOM 72 N LYS A 5 10.413 1.628 3.706 1.00 0.32 N ATOM 73 CA LYS A 5 10.177 2.064 5.077 1.00 0.36 C ATOM 74 C LYS A 5 9.850 3.554 5.126 1.00 0.35 C ATOM 75 O LYS A 5 10.160 4.299 4.195 1.00 0.31 O ATOM 76 CB LYS A 5 11.404 1.734 5.946 1.00 0.39 C ATOM 77 CG LYS A 5 12.022 2.926 6.667 1.00 0.93 C ATOM 78 CD LYS A 5 12.061 2.701 8.166 1.00 0.71 C ATOM 79 CE LYS A 5 12.989 3.689 8.856 1.00 1.55 C ATOM 80 NZ LYS A 5 13.571 3.123 10.106 1.00 1.94 N ATOM 0 H LYS A 5 10.918 2.301 3.130 1.00 0.32 H new ATOM 0 HA LYS A 5 9.315 1.528 5.475 1.00 0.36 H new ATOM 0 HB2 LYS A 5 11.115 0.990 6.688 1.00 0.39 H new ATOM 0 HB3 LYS A 5 12.165 1.276 5.314 1.00 0.39 H new ATOM 0 HG2 LYS A 5 13.033 3.095 6.296 1.00 0.93 H new ATOM 0 HG3 LYS A 5 11.447 3.826 6.447 1.00 0.93 H new ATOM 0 HD2 LYS A 5 11.056 2.798 8.575 1.00 0.71 H new ATOM 0 HD3 LYS A 5 12.393 1.684 8.373 1.00 0.71 H new ATOM 0 HE2 LYS A 5 13.793 3.969 8.175 1.00 1.55 H new ATOM 0 HE3 LYS A 5 12.439 4.600 9.091 1.00 1.55 H new ATOM 0 HZ1 LYS A 5 14.198 3.826 10.547 1.00 1.94 H new ATOM 0 HZ2 LYS A 5 12.805 2.879 10.766 1.00 1.94 H new ATOM 0 HZ3 LYS A 5 14.117 2.268 9.878 1.00 1.94 H new ATOM 94 N GLU A 6 9.236 3.982 6.224 1.00 0.37 N ATOM 95 CA GLU A 6 8.879 5.382 6.409 1.00 0.37 C ATOM 96 C GLU A 6 9.889 6.068 7.323 1.00 0.32 C ATOM 97 O GLU A 6 10.010 5.726 8.500 1.00 0.37 O ATOM 98 CB GLU A 6 7.470 5.497 6.997 1.00 0.45 C ATOM 99 CG GLU A 6 7.098 6.908 7.428 1.00 1.05 C ATOM 100 CD GLU A 6 6.196 6.928 8.645 1.00 2.02 C ATOM 101 OE1 GLU A 6 6.616 6.418 9.704 1.00 2.26 O ATOM 102 OE2 GLU A 6 5.067 7.455 8.539 1.00 2.86 O ATOM 0 H GLU A 6 8.975 3.376 7.002 1.00 0.37 H new ATOM 0 HA GLU A 6 8.894 5.877 5.438 1.00 0.37 H new ATOM 0 HB2 GLU A 6 6.748 5.151 6.257 1.00 0.45 H new ATOM 0 HB3 GLU A 6 7.390 4.831 7.856 1.00 0.45 H new ATOM 0 HG2 GLU A 6 8.007 7.469 7.645 1.00 1.05 H new ATOM 0 HG3 GLU A 6 6.599 7.416 6.603 1.00 1.05 H new ATOM 109 N ALA A 7 10.617 7.033 6.771 1.00 0.27 N ATOM 110 CA ALA A 7 11.620 7.766 7.531 1.00 0.25 C ATOM 111 C ALA A 7 11.415 9.268 7.392 1.00 0.26 C ATOM 112 O ALA A 7 10.645 9.721 6.545 1.00 0.28 O ATOM 113 CB ALA A 7 13.018 7.373 7.074 1.00 0.22 C ATOM 0 H ALA A 7 10.530 7.325 5.798 1.00 0.27 H new ATOM 0 HA ALA A 7 11.511 7.506 8.584 1.00 0.25 H new ATOM 0 HB1 ALA A 7 13.759 7.928 7.650 1.00 0.22 H new ATOM 0 HB2 ALA A 7 13.164 6.304 7.229 1.00 0.22 H new ATOM 0 HB3 ALA A 7 13.133 7.605 6.015 1.00 0.22 H new ATOM 119 N LYS A 8 12.101 10.039 8.230 1.00 0.27 N ATOM 120 CA LYS A 8 11.978 11.490 8.192 1.00 0.31 C ATOM 121 C LYS A 8 13.327 12.120 7.854 1.00 0.31 C ATOM 122 O LYS A 8 14.355 11.737 8.414 1.00 0.29 O ATOM 123 CB LYS A 8 11.483 12.008 9.543 1.00 0.34 C ATOM 124 CG LYS A 8 10.389 13.050 9.435 1.00 0.41 C ATOM 125 CD LYS A 8 9.325 12.850 10.499 1.00 0.51 C ATOM 126 CE LYS A 8 7.938 12.807 9.888 1.00 1.09 C ATOM 127 NZ LYS A 8 7.180 14.064 10.136 1.00 1.32 N ATOM 0 H LYS A 8 12.743 9.685 8.939 1.00 0.27 H new ATOM 0 HA LYS A 8 11.257 11.764 7.422 1.00 0.31 H new ATOM 0 HB2 LYS A 8 11.114 11.167 10.131 1.00 0.34 H new ATOM 0 HB3 LYS A 8 12.325 12.434 10.089 1.00 0.34 H new ATOM 0 HG2 LYS A 8 10.822 14.045 9.534 1.00 0.41 H new ATOM 0 HG3 LYS A 8 9.932 12.998 8.447 1.00 0.41 H new ATOM 0 HD2 LYS A 8 9.516 11.922 11.038 1.00 0.51 H new ATOM 0 HD3 LYS A 8 9.379 13.659 11.227 1.00 0.51 H new ATOM 0 HE2 LYS A 8 8.020 12.639 8.814 1.00 1.09 H new ATOM 0 HE3 LYS A 8 7.386 11.963 10.301 1.00 1.09 H new ATOM 0 HZ1 LYS A 8 6.200 13.949 9.807 1.00 1.32 H new ATOM 0 HZ2 LYS A 8 7.181 14.275 11.154 1.00 1.32 H new ATOM 0 HZ3 LYS A 8 7.629 14.848 9.620 1.00 1.32 H new ATOM 141 N ASP A 9 13.323 13.077 6.933 1.00 0.36 N ATOM 142 CA ASP A 9 14.551 13.747 6.521 1.00 0.39 C ATOM 143 C ASP A 9 15.122 14.588 7.659 1.00 0.42 C ATOM 144 O ASP A 9 14.543 14.657 8.743 1.00 0.43 O ATOM 145 CB ASP A 9 14.291 14.633 5.302 1.00 0.44 C ATOM 146 CG ASP A 9 15.495 14.718 4.383 1.00 0.48 C ATOM 147 OD1 ASP A 9 15.834 13.696 3.750 1.00 0.78 O ATOM 148 OD2 ASP A 9 16.100 15.808 4.296 1.00 0.59 O ATOM 0 H ASP A 9 12.483 13.406 6.457 1.00 0.36 H new ATOM 0 HA ASP A 9 15.280 12.980 6.257 1.00 0.39 H new ATOM 0 HB2 ASP A 9 13.440 14.241 4.746 1.00 0.44 H new ATOM 0 HB3 ASP A 9 14.020 15.635 5.635 1.00 0.44 H new ATOM 153 N ALA A 10 16.259 15.227 7.401 1.00 0.44 N ATOM 154 CA ALA A 10 16.907 16.065 8.402 1.00 0.48 C ATOM 155 C ALA A 10 15.984 17.193 8.847 1.00 0.51 C ATOM 156 O ALA A 10 16.105 17.707 9.959 1.00 0.54 O ATOM 157 CB ALA A 10 18.208 16.632 7.854 1.00 0.51 C ATOM 0 H ALA A 10 16.750 15.180 6.508 1.00 0.44 H new ATOM 0 HA ALA A 10 17.131 15.446 9.271 1.00 0.48 H new ATOM 0 HB1 ALA A 10 18.681 17.256 8.612 1.00 0.51 H new ATOM 0 HB2 ALA A 10 18.878 15.814 7.587 1.00 0.51 H new ATOM 0 HB3 ALA A 10 17.999 17.233 6.969 1.00 0.51 H new ATOM 163 N SER A 11 15.056 17.569 7.970 1.00 0.52 N ATOM 164 CA SER A 11 14.106 18.633 8.271 1.00 0.56 C ATOM 165 C SER A 11 12.828 18.060 8.872 1.00 0.50 C ATOM 166 O SER A 11 12.079 18.766 9.548 1.00 0.61 O ATOM 167 CB SER A 11 13.779 19.426 7.004 1.00 0.71 C ATOM 168 OG SER A 11 13.542 20.790 7.303 1.00 1.00 O ATOM 0 H SER A 11 14.943 17.152 7.046 1.00 0.52 H new ATOM 0 HA SER A 11 14.562 19.302 9.000 1.00 0.56 H new ATOM 0 HB2 SER A 11 14.604 19.344 6.297 1.00 0.71 H new ATOM 0 HB3 SER A 11 12.901 18.999 6.520 1.00 0.71 H new ATOM 0 HG SER A 11 13.337 21.275 6.477 1.00 1.00 H new ATOM 174 N GLY A 12 12.576 16.781 8.607 1.00 0.52 N ATOM 175 CA GLY A 12 11.382 16.141 9.114 1.00 0.47 C ATOM 176 C GLY A 12 10.370 15.847 8.020 1.00 0.53 C ATOM 177 O GLY A 12 9.180 15.685 8.293 1.00 0.59 O ATOM 0 H GLY A 12 13.181 16.178 8.049 1.00 0.52 H new ATOM 0 HA2 GLY A 12 11.656 15.210 9.611 1.00 0.47 H new ATOM 0 HA3 GLY A 12 10.922 16.781 9.867 1.00 0.47 H new ATOM 181 N ARG A 13 10.850 15.761 6.782 1.00 0.56 N ATOM 182 CA ARG A 13 9.989 15.465 5.642 1.00 0.64 C ATOM 183 C ARG A 13 9.862 13.955 5.454 1.00 0.56 C ATOM 184 O ARG A 13 10.827 13.217 5.646 1.00 0.52 O ATOM 185 CB ARG A 13 10.553 16.105 4.373 1.00 0.75 C ATOM 186 CG ARG A 13 11.087 17.514 4.585 1.00 0.87 C ATOM 187 CD ARG A 13 11.800 18.033 3.346 1.00 0.97 C ATOM 188 NE ARG A 13 13.164 18.465 3.642 1.00 1.24 N ATOM 189 CZ ARG A 13 13.700 19.589 3.171 1.00 1.60 C ATOM 190 NH1 ARG A 13 12.987 20.393 2.392 1.00 1.53 N ATOM 191 NH2 ARG A 13 14.948 19.909 3.482 1.00 2.38 N ATOM 0 H ARG A 13 11.833 15.893 6.543 1.00 0.56 H new ATOM 0 HA ARG A 13 9.000 15.880 5.836 1.00 0.64 H new ATOM 0 HB2 ARG A 13 11.355 15.477 3.985 1.00 0.75 H new ATOM 0 HB3 ARG A 13 9.773 16.132 3.612 1.00 0.75 H new ATOM 0 HG2 ARG A 13 10.264 18.182 4.839 1.00 0.87 H new ATOM 0 HG3 ARG A 13 11.774 17.520 5.431 1.00 0.87 H new ATOM 0 HD2 ARG A 13 11.824 17.251 2.587 1.00 0.97 H new ATOM 0 HD3 ARG A 13 11.238 18.868 2.927 1.00 0.97 H new ATOM 0 HE ARG A 13 13.737 17.873 4.243 1.00 1.24 H new ATOM 0 HH11 ARG A 13 12.026 20.150 2.153 1.00 1.53 H new ATOM 0 HH12 ARG A 13 13.400 21.253 2.033 1.00 1.53 H new ATOM 0 HH21 ARG A 13 15.498 19.294 4.082 1.00 2.38 H new ATOM 0 HH22 ARG A 13 15.359 20.770 3.121 1.00 2.38 H new ATOM 205 N ILE A 14 8.665 13.494 5.109 1.00 0.56 N ATOM 206 CA ILE A 14 8.427 12.063 4.936 1.00 0.50 C ATOM 207 C ILE A 14 8.901 11.557 3.576 1.00 0.44 C ATOM 208 O ILE A 14 8.478 12.045 2.527 1.00 0.48 O ATOM 209 CB ILE A 14 6.935 11.715 5.110 1.00 0.55 C ATOM 210 CG1 ILE A 14 6.449 12.161 6.494 1.00 0.68 C ATOM 211 CG2 ILE A 14 6.714 10.219 4.913 1.00 0.55 C ATOM 212 CD1 ILE A 14 5.036 11.720 6.817 1.00 1.13 C ATOM 0 H ILE A 14 7.849 14.084 4.944 1.00 0.56 H new ATOM 0 HA ILE A 14 9.009 11.566 5.712 1.00 0.50 H new ATOM 0 HB ILE A 14 6.356 12.246 4.354 1.00 0.55 H new ATOM 0 HG12 ILE A 14 7.125 11.765 7.251 1.00 0.68 H new ATOM 0 HG13 ILE A 14 6.503 13.248 6.555 1.00 0.68 H new ATOM 0 HG21 ILE A 14 5.656 9.988 5.039 1.00 0.55 H new ATOM 0 HG22 ILE A 14 7.031 9.933 3.910 1.00 0.55 H new ATOM 0 HG23 ILE A 14 7.296 9.665 5.649 1.00 0.55 H new ATOM 0 HD11 ILE A 14 4.763 12.073 7.812 1.00 1.13 H new ATOM 0 HD12 ILE A 14 4.348 12.138 6.082 1.00 1.13 H new ATOM 0 HD13 ILE A 14 4.979 10.632 6.790 1.00 1.13 H new ATOM 224 N TYR A 15 9.781 10.561 3.623 1.00 0.37 N ATOM 225 CA TYR A 15 10.332 9.950 2.418 1.00 0.32 C ATOM 226 C TYR A 15 10.419 8.434 2.569 1.00 0.26 C ATOM 227 O TYR A 15 10.597 7.919 3.674 1.00 0.24 O ATOM 228 CB TYR A 15 11.711 10.536 2.100 1.00 0.32 C ATOM 229 CG TYR A 15 12.811 10.071 3.031 1.00 0.28 C ATOM 230 CD1 TYR A 15 12.993 10.670 4.273 1.00 0.27 C ATOM 231 CD2 TYR A 15 13.659 9.033 2.672 1.00 0.29 C ATOM 232 CE1 TYR A 15 13.993 10.246 5.128 1.00 0.25 C ATOM 233 CE2 TYR A 15 14.660 8.602 3.523 1.00 0.27 C ATOM 234 CZ TYR A 15 14.842 9.222 4.732 1.00 0.24 C ATOM 235 OH TYR A 15 15.817 8.787 5.600 1.00 0.25 O ATOM 0 H TYR A 15 10.130 10.157 4.492 1.00 0.37 H new ATOM 0 HA TYR A 15 9.661 10.172 1.588 1.00 0.32 H new ATOM 0 HB2 TYR A 15 11.979 10.271 1.077 1.00 0.32 H new ATOM 0 HB3 TYR A 15 11.650 11.623 2.142 1.00 0.32 H new ATOM 0 HD1 TYR A 15 12.343 11.479 4.574 1.00 0.27 H new ATOM 0 HD2 TYR A 15 13.535 8.554 1.712 1.00 0.29 H new ATOM 0 HE1 TYR A 15 14.113 10.708 6.097 1.00 0.25 H new ATOM 0 HE2 TYR A 15 15.297 7.779 3.236 1.00 0.27 H new ATOM 0 HH TYR A 15 16.330 8.065 5.180 1.00 0.25 H new ATOM 245 N TYR A 16 10.288 7.724 1.451 1.00 0.25 N ATOM 246 CA TYR A 16 10.345 6.267 1.456 1.00 0.23 C ATOM 247 C TYR A 16 11.743 5.780 1.110 1.00 0.21 C ATOM 248 O TYR A 16 12.293 6.127 0.066 1.00 0.22 O ATOM 249 CB TYR A 16 9.321 5.698 0.473 1.00 0.27 C ATOM 250 CG TYR A 16 7.895 6.102 0.785 1.00 0.25 C ATOM 251 CD1 TYR A 16 7.543 6.550 2.054 1.00 0.40 C ATOM 252 CD2 TYR A 16 6.903 6.031 -0.183 1.00 0.21 C ATOM 253 CE1 TYR A 16 6.245 6.915 2.349 1.00 0.40 C ATOM 254 CE2 TYR A 16 5.601 6.399 0.104 1.00 0.27 C ATOM 255 CZ TYR A 16 5.278 6.839 1.370 1.00 0.30 C ATOM 256 OH TYR A 16 3.982 7.203 1.658 1.00 0.35 O ATOM 0 H TYR A 16 10.141 8.136 0.530 1.00 0.25 H new ATOM 0 HA TYR A 16 10.103 5.915 2.459 1.00 0.23 H new ATOM 0 HB2 TYR A 16 9.572 6.030 -0.534 1.00 0.27 H new ATOM 0 HB3 TYR A 16 9.391 4.610 0.477 1.00 0.27 H new ATOM 0 HD1 TYR A 16 8.299 6.613 2.822 1.00 0.40 H new ATOM 0 HD2 TYR A 16 7.151 5.683 -1.175 1.00 0.21 H new ATOM 0 HE1 TYR A 16 5.989 7.258 3.341 1.00 0.40 H new ATOM 0 HE2 TYR A 16 4.840 6.342 -0.661 1.00 0.27 H new ATOM 0 HH TYR A 16 3.426 7.092 0.859 1.00 0.35 H new ATOM 266 N TYR A 17 12.325 4.989 2.002 1.00 0.21 N ATOM 267 CA TYR A 17 13.668 4.477 1.797 1.00 0.21 C ATOM 268 C TYR A 17 13.684 2.953 1.698 1.00 0.22 C ATOM 269 O TYR A 17 13.178 2.251 2.577 1.00 0.26 O ATOM 270 CB TYR A 17 14.573 4.968 2.935 1.00 0.24 C ATOM 271 CG TYR A 17 15.596 3.963 3.424 1.00 0.23 C ATOM 272 CD1 TYR A 17 16.716 3.664 2.658 1.00 0.27 C ATOM 273 CD2 TYR A 17 15.439 3.311 4.640 1.00 0.34 C ATOM 274 CE1 TYR A 17 17.649 2.742 3.090 1.00 0.35 C ATOM 275 CE2 TYR A 17 16.370 2.389 5.080 1.00 0.42 C ATOM 276 CZ TYR A 17 17.476 2.130 4.341 1.00 0.41 C ATOM 277 OH TYR A 17 18.401 1.190 4.733 1.00 0.54 O ATOM 0 H TYR A 17 11.886 4.690 2.873 1.00 0.21 H new ATOM 0 HA TYR A 17 14.045 4.855 0.847 1.00 0.21 H new ATOM 0 HB2 TYR A 17 15.097 5.863 2.600 1.00 0.24 H new ATOM 0 HB3 TYR A 17 13.945 5.262 3.776 1.00 0.24 H new ATOM 0 HD1 TYR A 17 16.859 4.161 1.710 1.00 0.27 H new ATOM 0 HD2 TYR A 17 14.576 3.528 5.252 1.00 0.34 H new ATOM 0 HE1 TYR A 17 18.501 2.495 2.473 1.00 0.35 H new ATOM 0 HE2 TYR A 17 16.215 1.873 6.016 1.00 0.42 H new ATOM 0 HH TYR A 17 18.255 0.961 5.675 1.00 0.54 H new ATOM 287 N ASN A 18 14.289 2.458 0.623 1.00 0.22 N ATOM 288 CA ASN A 18 14.417 1.026 0.384 1.00 0.28 C ATOM 289 C ASN A 18 15.671 0.509 1.084 1.00 0.29 C ATOM 290 O ASN A 18 16.781 0.938 0.766 1.00 0.32 O ATOM 291 CB ASN A 18 14.503 0.752 -1.121 1.00 0.35 C ATOM 292 CG ASN A 18 14.598 -0.726 -1.449 1.00 0.56 C ATOM 293 OD1 ASN A 18 14.875 -1.552 -0.582 1.00 0.96 O ATOM 294 ND2 ASN A 18 14.368 -1.065 -2.711 1.00 0.50 N ATOM 0 H ASN A 18 14.704 3.038 -0.106 1.00 0.22 H new ATOM 0 HA ASN A 18 13.543 0.511 0.782 1.00 0.28 H new ATOM 0 HB2 ASN A 18 13.625 1.172 -1.612 1.00 0.35 H new ATOM 0 HB3 ASN A 18 15.373 1.266 -1.529 1.00 0.35 H new ATOM 0 HD21 ASN A 18 14.418 -2.044 -2.993 1.00 0.50 H new ATOM 0 HD22 ASN A 18 14.141 -0.347 -3.399 1.00 0.50 H new ATOM 301 N THR A 19 15.498 -0.398 2.040 1.00 0.39 N ATOM 302 CA THR A 19 16.634 -0.943 2.780 1.00 0.42 C ATOM 303 C THR A 19 17.173 -2.208 2.125 1.00 0.42 C ATOM 304 O THR A 19 18.317 -2.598 2.367 1.00 0.38 O ATOM 305 CB THR A 19 16.275 -1.249 4.250 1.00 0.58 C ATOM 306 OG1 THR A 19 16.337 -2.661 4.490 1.00 0.75 O ATOM 307 CG2 THR A 19 14.885 -0.735 4.600 1.00 0.50 C ATOM 0 H THR A 19 14.590 -0.770 2.320 1.00 0.39 H new ATOM 0 HA THR A 19 17.405 -0.173 2.762 1.00 0.42 H new ATOM 0 HB THR A 19 17.001 -0.737 4.882 1.00 0.58 H new ATOM 0 HG1 THR A 19 16.109 -2.844 5.425 1.00 0.75 H new ATOM 0 HG21 THR A 19 14.663 -0.967 5.642 1.00 0.50 H new ATOM 0 HG22 THR A 19 14.848 0.344 4.452 1.00 0.50 H new ATOM 0 HG23 THR A 19 14.147 -1.214 3.957 1.00 0.50 H new ATOM 315 N LEU A 20 16.358 -2.842 1.290 1.00 0.50 N ATOM 316 CA LEU A 20 16.778 -4.059 0.601 1.00 0.56 C ATOM 317 C LEU A 20 17.971 -3.744 -0.292 1.00 0.57 C ATOM 318 O LEU A 20 18.985 -4.440 -0.268 1.00 0.70 O ATOM 319 CB LEU A 20 15.631 -4.640 -0.240 1.00 0.69 C ATOM 320 CG LEU A 20 14.443 -5.247 0.531 1.00 0.80 C ATOM 321 CD1 LEU A 20 14.525 -6.761 0.564 1.00 1.26 C ATOM 322 CD2 LEU A 20 14.347 -4.705 1.946 1.00 0.98 C ATOM 0 H LEU A 20 15.409 -2.537 1.074 1.00 0.50 H new ATOM 0 HA LEU A 20 17.060 -4.804 1.345 1.00 0.56 H new ATOM 0 HB2 LEU A 20 15.249 -3.849 -0.886 1.00 0.69 H new ATOM 0 HB3 LEU A 20 16.044 -5.411 -0.891 1.00 0.69 H new ATOM 0 HG LEU A 20 13.541 -4.954 -0.006 1.00 0.80 H new ATOM 0 HD11 LEU A 20 13.673 -7.160 1.115 1.00 1.26 H new ATOM 0 HD12 LEU A 20 14.512 -7.148 -0.455 1.00 1.26 H new ATOM 0 HD13 LEU A 20 15.449 -7.065 1.056 1.00 1.26 H new ATOM 0 HD21 LEU A 20 13.496 -5.160 2.453 1.00 0.98 H new ATOM 0 HD22 LEU A 20 15.262 -4.942 2.489 1.00 0.98 H new ATOM 0 HD23 LEU A 20 14.214 -3.624 1.913 1.00 0.98 H new ATOM 334 N THR A 21 17.837 -2.675 -1.074 1.00 0.52 N ATOM 335 CA THR A 21 18.895 -2.240 -1.974 1.00 0.60 C ATOM 336 C THR A 21 19.605 -1.011 -1.412 1.00 0.52 C ATOM 337 O THR A 21 20.523 -0.472 -2.031 1.00 0.59 O ATOM 338 CB THR A 21 18.339 -1.913 -3.374 1.00 0.74 C ATOM 339 OG1 THR A 21 17.671 -0.646 -3.353 1.00 0.73 O ATOM 340 CG2 THR A 21 17.371 -2.992 -3.833 1.00 0.84 C ATOM 0 H THR A 21 17.000 -2.093 -1.100 1.00 0.52 H new ATOM 0 HA THR A 21 19.606 -3.061 -2.063 1.00 0.60 H new ATOM 0 HB THR A 21 19.174 -1.871 -4.073 1.00 0.74 H new ATOM 0 HG1 THR A 21 17.187 -0.517 -4.196 1.00 0.73 H new ATOM 0 HG21 THR A 21 16.990 -2.742 -4.823 1.00 0.84 H new ATOM 0 HG22 THR A 21 17.888 -3.951 -3.875 1.00 0.84 H new ATOM 0 HG23 THR A 21 16.540 -3.058 -3.131 1.00 0.84 H new ATOM 348 N LYS A 22 19.168 -0.584 -0.228 1.00 0.43 N ATOM 349 CA LYS A 22 19.750 0.574 0.447 1.00 0.43 C ATOM 350 C LYS A 22 19.576 1.853 -0.371 1.00 0.46 C ATOM 351 O LYS A 22 20.370 2.787 -0.252 1.00 0.66 O ATOM 352 CB LYS A 22 21.235 0.335 0.734 1.00 0.50 C ATOM 353 CG LYS A 22 21.491 -0.483 1.989 1.00 0.58 C ATOM 354 CD LYS A 22 22.548 -1.550 1.752 1.00 1.11 C ATOM 355 CE LYS A 22 22.631 -2.519 2.919 1.00 1.51 C ATOM 356 NZ LYS A 22 24.007 -3.061 3.093 1.00 2.45 N ATOM 0 H LYS A 22 18.407 -1.027 0.286 1.00 0.43 H new ATOM 0 HA LYS A 22 19.218 0.704 1.389 1.00 0.43 H new ATOM 0 HB2 LYS A 22 21.683 -0.175 -0.119 1.00 0.50 H new ATOM 0 HB3 LYS A 22 21.737 1.298 0.830 1.00 0.50 H new ATOM 0 HG2 LYS A 22 21.812 0.176 2.795 1.00 0.58 H new ATOM 0 HG3 LYS A 22 20.563 -0.954 2.313 1.00 0.58 H new ATOM 0 HD2 LYS A 22 22.316 -2.098 0.839 1.00 1.11 H new ATOM 0 HD3 LYS A 22 23.518 -1.076 1.601 1.00 1.11 H new ATOM 0 HE2 LYS A 22 22.322 -2.013 3.834 1.00 1.51 H new ATOM 0 HE3 LYS A 22 21.934 -3.342 2.758 1.00 1.51 H new ATOM 0 HZ1 LYS A 22 24.022 -3.718 3.899 1.00 2.45 H new ATOM 0 HZ2 LYS A 22 24.293 -3.566 2.230 1.00 2.45 H new ATOM 0 HZ3 LYS A 22 24.668 -2.279 3.272 1.00 2.45 H new ATOM 370 N LYS A 23 18.536 1.893 -1.199 1.00 0.42 N ATOM 371 CA LYS A 23 18.268 3.064 -2.032 1.00 0.47 C ATOM 372 C LYS A 23 17.253 3.985 -1.361 1.00 0.35 C ATOM 373 O LYS A 23 16.548 3.575 -0.443 1.00 0.30 O ATOM 374 CB LYS A 23 17.761 2.633 -3.408 1.00 0.61 C ATOM 375 CG LYS A 23 18.844 2.035 -4.292 1.00 0.96 C ATOM 376 CD LYS A 23 18.675 2.453 -5.745 1.00 1.25 C ATOM 377 CE LYS A 23 19.827 3.327 -6.210 1.00 1.69 C ATOM 378 NZ LYS A 23 19.842 3.488 -7.690 1.00 2.27 N ATOM 0 H LYS A 23 17.867 1.132 -1.312 1.00 0.42 H new ATOM 0 HA LYS A 23 19.201 3.614 -2.157 1.00 0.47 H new ATOM 0 HB2 LYS A 23 16.963 1.902 -3.280 1.00 0.61 H new ATOM 0 HB3 LYS A 23 17.326 3.495 -3.913 1.00 0.61 H new ATOM 0 HG2 LYS A 23 19.823 2.352 -3.933 1.00 0.96 H new ATOM 0 HG3 LYS A 23 18.814 0.948 -4.220 1.00 0.96 H new ATOM 0 HD2 LYS A 23 18.613 1.566 -6.375 1.00 1.25 H new ATOM 0 HD3 LYS A 23 17.736 2.994 -5.862 1.00 1.25 H new ATOM 0 HE2 LYS A 23 19.751 4.307 -5.739 1.00 1.69 H new ATOM 0 HE3 LYS A 23 20.770 2.888 -5.883 1.00 1.69 H new ATOM 0 HZ1 LYS A 23 20.643 4.091 -7.965 1.00 2.27 H new ATOM 0 HZ2 LYS A 23 19.940 2.555 -8.140 1.00 2.27 H new ATOM 0 HZ3 LYS A 23 18.953 3.930 -8.000 1.00 2.27 H new ATOM 392 N SER A 24 17.197 5.239 -1.805 1.00 0.36 N ATOM 393 CA SER A 24 16.277 6.213 -1.221 1.00 0.31 C ATOM 394 C SER A 24 15.347 6.825 -2.269 1.00 0.31 C ATOM 395 O SER A 24 15.703 6.943 -3.442 1.00 0.33 O ATOM 396 CB SER A 24 17.063 7.321 -0.516 1.00 0.42 C ATOM 397 OG SER A 24 17.656 6.844 0.679 1.00 1.22 O ATOM 0 H SER A 24 17.774 5.603 -2.563 1.00 0.36 H new ATOM 0 HA SER A 24 15.658 5.683 -0.498 1.00 0.31 H new ATOM 0 HB2 SER A 24 17.837 7.703 -1.182 1.00 0.42 H new ATOM 0 HB3 SER A 24 16.398 8.154 -0.288 1.00 0.42 H new ATOM 0 HG SER A 24 18.154 7.570 1.110 1.00 1.22 H new ATOM 403 N THR A 25 14.154 7.221 -1.823 1.00 0.30 N ATOM 404 CA THR A 25 13.161 7.835 -2.703 1.00 0.30 C ATOM 405 C THR A 25 12.161 8.670 -1.902 1.00 0.31 C ATOM 406 O THR A 25 12.096 8.571 -0.675 1.00 0.30 O ATOM 407 CB THR A 25 12.403 6.777 -3.536 1.00 0.30 C ATOM 408 OG1 THR A 25 11.987 7.344 -4.784 1.00 0.35 O ATOM 409 CG2 THR A 25 11.186 6.248 -2.788 1.00 0.25 C ATOM 0 H THR A 25 13.852 7.127 -0.853 1.00 0.30 H new ATOM 0 HA THR A 25 13.704 8.487 -3.387 1.00 0.30 H new ATOM 0 HB THR A 25 13.083 5.944 -3.716 1.00 0.30 H new ATOM 0 HG1 THR A 25 11.509 6.667 -5.307 1.00 0.35 H new ATOM 0 HG21 THR A 25 10.676 5.506 -3.402 1.00 0.25 H new ATOM 0 HG22 THR A 25 11.505 5.788 -1.853 1.00 0.25 H new ATOM 0 HG23 THR A 25 10.505 7.071 -2.573 1.00 0.25 H new ATOM 417 N TRP A 26 11.379 9.490 -2.598 1.00 0.35 N ATOM 418 CA TRP A 26 10.389 10.337 -1.943 1.00 0.39 C ATOM 419 C TRP A 26 8.994 10.084 -2.507 1.00 0.43 C ATOM 420 O TRP A 26 7.990 10.410 -1.874 1.00 0.65 O ATOM 421 CB TRP A 26 10.754 11.814 -2.113 1.00 0.45 C ATOM 422 CG TRP A 26 12.075 12.178 -1.508 1.00 0.47 C ATOM 423 CD1 TRP A 26 13.312 11.804 -1.950 1.00 0.46 C ATOM 424 CD2 TRP A 26 12.293 12.996 -0.352 1.00 0.53 C ATOM 425 NE1 TRP A 26 14.284 12.336 -1.137 1.00 0.52 N ATOM 426 CE2 TRP A 26 13.683 13.072 -0.149 1.00 0.56 C ATOM 427 CE3 TRP A 26 11.445 13.671 0.532 1.00 0.59 C ATOM 428 CZ2 TRP A 26 14.246 13.795 0.900 1.00 0.64 C ATOM 429 CZ3 TRP A 26 12.004 14.389 1.572 1.00 0.67 C ATOM 430 CH2 TRP A 26 13.392 14.446 1.748 1.00 0.69 C ATOM 0 H TRP A 26 11.412 9.585 -3.613 1.00 0.35 H new ATOM 0 HA TRP A 26 10.386 10.088 -0.882 1.00 0.39 H new ATOM 0 HB2 TRP A 26 10.772 12.055 -3.176 1.00 0.45 H new ATOM 0 HB3 TRP A 26 9.975 12.427 -1.660 1.00 0.45 H new ATOM 0 HD1 TRP A 26 13.499 11.181 -2.812 1.00 0.46 H new ATOM 0 HE1 TRP A 26 15.289 12.205 -1.250 1.00 0.52 H new ATOM 0 HE3 TRP A 26 10.373 13.632 0.404 1.00 0.59 H new ATOM 0 HZ2 TRP A 26 15.316 13.840 1.039 1.00 0.64 H new ATOM 0 HZ3 TRP A 26 11.359 14.915 2.261 1.00 0.67 H new ATOM 0 HH2 TRP A 26 13.797 15.016 2.571 1.00 0.69 H new ATOM 441 N GLU A 27 8.939 9.507 -3.704 1.00 0.32 N ATOM 442 CA GLU A 27 7.667 9.217 -4.357 1.00 0.32 C ATOM 443 C GLU A 27 7.307 7.744 -4.216 1.00 0.27 C ATOM 444 O GLU A 27 8.120 6.866 -4.506 1.00 0.23 O ATOM 445 CB GLU A 27 7.732 9.598 -5.837 1.00 0.35 C ATOM 446 CG GLU A 27 7.354 11.045 -6.109 1.00 1.24 C ATOM 447 CD GLU A 27 8.565 11.948 -6.237 1.00 1.66 C ATOM 448 OE1 GLU A 27 9.374 11.997 -5.285 1.00 2.09 O ATOM 449 OE2 GLU A 27 8.706 12.607 -7.288 1.00 2.07 O ATOM 0 H GLU A 27 9.761 9.231 -4.241 1.00 0.32 H new ATOM 0 HA GLU A 27 6.893 9.810 -3.869 1.00 0.32 H new ATOM 0 HB2 GLU A 27 8.742 9.419 -6.206 1.00 0.35 H new ATOM 0 HB3 GLU A 27 7.066 8.945 -6.401 1.00 0.35 H new ATOM 0 HG2 GLU A 27 6.767 11.097 -7.026 1.00 1.24 H new ATOM 0 HG3 GLU A 27 6.718 11.409 -5.302 1.00 1.24 H new ATOM 456 N LYS A 28 6.085 7.482 -3.764 1.00 0.29 N ATOM 457 CA LYS A 28 5.608 6.119 -3.574 1.00 0.26 C ATOM 458 C LYS A 28 5.676 5.313 -4.869 1.00 0.23 C ATOM 459 O LYS A 28 4.942 5.586 -5.816 1.00 0.24 O ATOM 460 CB LYS A 28 4.168 6.139 -3.057 1.00 0.32 C ATOM 461 CG LYS A 28 3.748 4.853 -2.366 1.00 0.31 C ATOM 462 CD LYS A 28 2.280 4.894 -1.970 1.00 0.43 C ATOM 463 CE LYS A 28 2.099 4.676 -0.478 1.00 0.44 C ATOM 464 NZ LYS A 28 0.830 5.276 0.020 1.00 0.90 N ATOM 0 H LYS A 28 5.404 8.202 -3.521 1.00 0.29 H new ATOM 0 HA LYS A 28 6.258 5.638 -2.843 1.00 0.26 H new ATOM 0 HB2 LYS A 28 4.053 6.969 -2.360 1.00 0.32 H new ATOM 0 HB3 LYS A 28 3.494 6.329 -3.893 1.00 0.32 H new ATOM 0 HG2 LYS A 28 3.925 4.006 -3.029 1.00 0.31 H new ATOM 0 HG3 LYS A 28 4.362 4.697 -1.479 1.00 0.31 H new ATOM 0 HD2 LYS A 28 1.853 5.856 -2.253 1.00 0.43 H new ATOM 0 HD3 LYS A 28 1.732 4.128 -2.520 1.00 0.43 H new ATOM 0 HE2 LYS A 28 2.104 3.607 -0.264 1.00 0.44 H new ATOM 0 HE3 LYS A 28 2.942 5.112 0.058 1.00 0.44 H new ATOM 0 HZ1 LYS A 28 0.743 5.106 1.042 1.00 0.90 H new ATOM 0 HZ2 LYS A 28 0.836 6.300 -0.161 1.00 0.90 H new ATOM 0 HZ3 LYS A 28 0.024 4.842 -0.473 1.00 0.90 H new ATOM 478 N PRO A 29 6.551 4.292 -4.920 1.00 0.25 N ATOM 479 CA PRO A 29 6.689 3.431 -6.100 1.00 0.25 C ATOM 480 C PRO A 29 5.407 2.653 -6.349 1.00 0.25 C ATOM 481 O PRO A 29 4.744 2.249 -5.399 1.00 0.24 O ATOM 482 CB PRO A 29 7.819 2.466 -5.715 1.00 0.27 C ATOM 483 CG PRO A 29 8.519 3.124 -4.575 1.00 0.54 C ATOM 484 CD PRO A 29 7.458 3.883 -3.838 1.00 0.33 C ATOM 0 HA PRO A 29 6.894 3.996 -7.009 1.00 0.25 H new ATOM 0 HB2 PRO A 29 7.424 1.492 -5.426 1.00 0.27 H new ATOM 0 HB3 PRO A 29 8.498 2.300 -6.552 1.00 0.27 H new ATOM 0 HG2 PRO A 29 8.995 2.387 -3.928 1.00 0.54 H new ATOM 0 HG3 PRO A 29 9.305 3.791 -4.929 1.00 0.54 H new ATOM 0 HD2 PRO A 29 6.953 3.261 -3.099 1.00 0.33 H new ATOM 0 HD3 PRO A 29 7.868 4.741 -3.306 1.00 0.33 H new ATOM 492 N LYS A 30 5.013 2.493 -7.610 1.00 0.29 N ATOM 493 CA LYS A 30 3.765 1.808 -7.943 1.00 0.31 C ATOM 494 C LYS A 30 3.563 0.503 -7.170 1.00 0.27 C ATOM 495 O LYS A 30 2.444 0.209 -6.763 1.00 0.25 O ATOM 496 CB LYS A 30 3.686 1.528 -9.446 1.00 0.40 C ATOM 497 CG LYS A 30 4.526 2.469 -10.300 1.00 0.91 C ATOM 498 CD LYS A 30 4.277 2.275 -11.783 1.00 1.38 C ATOM 499 CE LYS A 30 2.792 2.280 -12.120 1.00 2.15 C ATOM 500 NZ LYS A 30 2.556 2.386 -13.585 1.00 2.96 N ATOM 0 H LYS A 30 5.539 2.828 -8.418 1.00 0.29 H new ATOM 0 HA LYS A 30 2.965 2.486 -7.646 1.00 0.31 H new ATOM 0 HB2 LYS A 30 4.007 0.503 -9.631 1.00 0.40 H new ATOM 0 HB3 LYS A 30 2.646 1.598 -9.763 1.00 0.40 H new ATOM 0 HG2 LYS A 30 4.302 3.501 -10.028 1.00 0.91 H new ATOM 0 HG3 LYS A 30 5.582 2.305 -10.086 1.00 0.91 H new ATOM 0 HD2 LYS A 30 4.778 3.067 -12.341 1.00 1.38 H new ATOM 0 HD3 LYS A 30 4.718 1.331 -12.104 1.00 1.38 H new ATOM 0 HE2 LYS A 30 2.331 1.367 -11.743 1.00 2.15 H new ATOM 0 HE3 LYS A 30 2.307 3.114 -11.613 1.00 2.15 H new ATOM 0 HZ1 LYS A 30 1.533 2.386 -13.773 1.00 2.96 H new ATOM 0 HZ2 LYS A 30 2.973 3.270 -13.941 1.00 2.96 H new ATOM 0 HZ3 LYS A 30 2.996 1.576 -14.067 1.00 2.96 H new ATOM 514 N GLU A 31 4.618 -0.288 -6.966 1.00 0.27 N ATOM 515 CA GLU A 31 4.484 -1.552 -6.234 1.00 0.27 C ATOM 516 C GLU A 31 4.022 -1.302 -4.798 1.00 0.23 C ATOM 517 O GLU A 31 3.439 -2.175 -4.151 1.00 0.26 O ATOM 518 CB GLU A 31 5.823 -2.298 -6.244 1.00 0.34 C ATOM 519 CG GLU A 31 6.015 -3.250 -5.077 1.00 1.06 C ATOM 520 CD GLU A 31 6.392 -4.651 -5.520 1.00 1.66 C ATOM 521 OE1 GLU A 31 5.657 -5.229 -6.348 1.00 2.45 O ATOM 522 OE2 GLU A 31 7.422 -5.170 -5.040 1.00 1.54 O ATOM 0 H GLU A 31 5.562 -0.082 -7.291 1.00 0.27 H new ATOM 0 HA GLU A 31 3.730 -2.165 -6.727 1.00 0.27 H new ATOM 0 HB2 GLU A 31 5.906 -2.860 -7.174 1.00 0.34 H new ATOM 0 HB3 GLU A 31 6.633 -1.568 -6.240 1.00 0.34 H new ATOM 0 HG2 GLU A 31 6.792 -2.860 -4.419 1.00 1.06 H new ATOM 0 HG3 GLU A 31 5.095 -3.293 -4.493 1.00 1.06 H new ATOM 529 N LEU A 32 4.270 -0.092 -4.328 1.00 0.22 N ATOM 530 CA LEU A 32 3.881 0.323 -2.987 1.00 0.24 C ATOM 531 C LEU A 32 2.446 0.853 -2.997 1.00 0.25 C ATOM 532 O LEU A 32 1.762 0.874 -1.973 1.00 0.39 O ATOM 533 CB LEU A 32 4.853 1.407 -2.492 1.00 0.36 C ATOM 534 CG LEU A 32 5.533 1.163 -1.136 1.00 0.49 C ATOM 535 CD1 LEU A 32 4.862 1.987 -0.050 1.00 0.37 C ATOM 536 CD2 LEU A 32 5.531 -0.316 -0.763 1.00 1.19 C ATOM 0 H LEU A 32 4.747 0.633 -4.864 1.00 0.22 H new ATOM 0 HA LEU A 32 3.924 -0.532 -2.312 1.00 0.24 H new ATOM 0 HB2 LEU A 32 5.632 1.534 -3.244 1.00 0.36 H new ATOM 0 HB3 LEU A 32 4.309 2.350 -2.434 1.00 0.36 H new ATOM 0 HG LEU A 32 6.573 1.478 -1.226 1.00 0.49 H new ATOM 0 HD11 LEU A 32 5.356 1.802 0.904 1.00 0.37 H new ATOM 0 HD12 LEU A 32 4.936 3.046 -0.298 1.00 0.37 H new ATOM 0 HD13 LEU A 32 3.812 1.705 0.024 1.00 0.37 H new ATOM 0 HD21 LEU A 32 6.020 -0.449 0.202 1.00 1.19 H new ATOM 0 HD22 LEU A 32 4.503 -0.674 -0.701 1.00 1.19 H new ATOM 0 HD23 LEU A 32 6.068 -0.884 -1.523 1.00 1.19 H new ATOM 548 N ILE A 33 2.013 1.277 -4.180 1.00 0.26 N ATOM 549 CA ILE A 33 0.669 1.814 -4.378 1.00 0.28 C ATOM 550 C ILE A 33 -0.303 0.738 -4.862 1.00 0.27 C ATOM 551 O ILE A 33 -1.519 0.869 -4.714 1.00 0.32 O ATOM 552 CB ILE A 33 0.673 2.953 -5.415 1.00 0.30 C ATOM 553 CG1 ILE A 33 1.723 4.010 -5.071 1.00 0.30 C ATOM 554 CG2 ILE A 33 -0.703 3.592 -5.513 1.00 0.31 C ATOM 555 CD1 ILE A 33 2.237 4.748 -6.285 1.00 0.36 C ATOM 0 H ILE A 33 2.581 1.259 -5.027 1.00 0.26 H new ATOM 0 HA ILE A 33 0.343 2.191 -3.408 1.00 0.28 H new ATOM 0 HB ILE A 33 0.929 2.521 -6.382 1.00 0.30 H new ATOM 0 HG12 ILE A 33 1.293 4.727 -4.372 1.00 0.30 H new ATOM 0 HG13 ILE A 33 2.560 3.531 -4.562 1.00 0.30 H new ATOM 0 HG21 ILE A 33 -0.680 4.394 -6.251 1.00 0.31 H new ATOM 0 HG22 ILE A 33 -1.432 2.841 -5.817 1.00 0.31 H new ATOM 0 HG23 ILE A 33 -0.985 4.000 -4.542 1.00 0.31 H new ATOM 0 HD11 ILE A 33 2.979 5.484 -5.976 1.00 0.36 H new ATOM 0 HD12 ILE A 33 2.695 4.039 -6.975 1.00 0.36 H new ATOM 0 HD13 ILE A 33 1.409 5.254 -6.781 1.00 0.36 H new ATOM 567 N SER A 34 0.242 -0.305 -5.472 1.00 0.24 N ATOM 568 CA SER A 34 -0.562 -1.385 -6.025 1.00 0.25 C ATOM 569 C SER A 34 -0.899 -2.463 -5.014 1.00 0.25 C ATOM 570 O SER A 34 -1.763 -3.284 -5.276 1.00 0.26 O ATOM 571 CB SER A 34 0.104 -2.006 -7.242 1.00 0.25 C ATOM 572 OG SER A 34 1.455 -2.344 -6.977 1.00 0.26 O ATOM 0 H SER A 34 1.247 -0.426 -5.597 1.00 0.24 H new ATOM 0 HA SER A 34 -1.502 -0.923 -6.326 1.00 0.25 H new ATOM 0 HB2 SER A 34 -0.444 -2.899 -7.542 1.00 0.25 H new ATOM 0 HB3 SER A 34 0.059 -1.309 -8.078 1.00 0.25 H new ATOM 0 HG SER A 34 2.002 -1.531 -6.979 1.00 0.26 H new ATOM 578 N GLN A 35 -0.196 -2.494 -3.893 1.00 0.23 N ATOM 579 CA GLN A 35 -0.451 -3.510 -2.877 1.00 0.23 C ATOM 580 C GLN A 35 -1.659 -3.127 -2.027 1.00 0.23 C ATOM 581 O GLN A 35 -2.630 -3.879 -1.933 1.00 0.24 O ATOM 582 CB GLN A 35 0.779 -3.681 -1.982 1.00 0.23 C ATOM 583 CG GLN A 35 0.557 -4.620 -0.806 1.00 0.28 C ATOM 584 CD GLN A 35 1.489 -5.815 -0.831 1.00 0.36 C ATOM 585 OE1 GLN A 35 2.545 -5.806 -0.201 1.00 0.56 O ATOM 586 NE2 GLN A 35 1.102 -6.852 -1.565 1.00 0.65 N ATOM 0 H GLN A 35 0.549 -1.836 -3.662 1.00 0.23 H new ATOM 0 HA GLN A 35 -0.662 -4.454 -3.380 1.00 0.23 H new ATOM 0 HB2 GLN A 35 1.606 -4.058 -2.585 1.00 0.23 H new ATOM 0 HB3 GLN A 35 1.080 -2.704 -1.603 1.00 0.23 H new ATOM 0 HG2 GLN A 35 0.701 -4.071 0.125 1.00 0.28 H new ATOM 0 HG3 GLN A 35 -0.476 -4.969 -0.814 1.00 0.28 H new ATOM 0 HE21 GLN A 35 0.217 -6.816 -2.072 1.00 0.65 H new ATOM 0 HE22 GLN A 35 1.689 -7.684 -1.622 1.00 0.65 H new ATOM 595 N GLU A 36 -1.582 -1.956 -1.405 1.00 0.23 N ATOM 596 CA GLU A 36 -2.660 -1.463 -0.551 1.00 0.24 C ATOM 597 C GLU A 36 -3.985 -1.478 -1.300 1.00 0.23 C ATOM 598 O GLU A 36 -5.034 -1.778 -0.731 1.00 0.24 O ATOM 599 CB GLU A 36 -2.348 -0.049 -0.060 1.00 0.26 C ATOM 600 CG GLU A 36 -1.442 -0.013 1.161 1.00 1.04 C ATOM 601 CD GLU A 36 0.028 0.011 0.792 1.00 1.71 C ATOM 602 OE1 GLU A 36 0.576 -1.062 0.462 1.00 2.41 O ATOM 603 OE2 GLU A 36 0.632 1.104 0.834 1.00 2.12 O ATOM 0 H GLU A 36 -0.782 -1.327 -1.476 1.00 0.23 H new ATOM 0 HA GLU A 36 -2.742 -2.123 0.313 1.00 0.24 H new ATOM 0 HB2 GLU A 36 -1.877 0.511 -0.868 1.00 0.26 H new ATOM 0 HB3 GLU A 36 -3.283 0.459 0.177 1.00 0.26 H new ATOM 0 HG2 GLU A 36 -1.678 0.868 1.759 1.00 1.04 H new ATOM 0 HG3 GLU A 36 -1.643 -0.884 1.784 1.00 1.04 H new ATOM 610 N GLU A 37 -3.920 -1.154 -2.583 1.00 0.23 N ATOM 611 CA GLU A 37 -5.099 -1.127 -3.435 1.00 0.25 C ATOM 612 C GLU A 37 -5.680 -2.528 -3.602 1.00 0.24 C ATOM 613 O GLU A 37 -6.889 -2.706 -3.763 1.00 0.26 O ATOM 614 CB GLU A 37 -4.715 -0.558 -4.806 1.00 0.26 C ATOM 615 CG GLU A 37 -5.319 0.798 -5.098 1.00 0.31 C ATOM 616 CD GLU A 37 -6.739 0.709 -5.622 1.00 0.33 C ATOM 617 OE1 GLU A 37 -7.468 -0.215 -5.207 1.00 0.80 O ATOM 618 OE2 GLU A 37 -7.123 1.566 -6.447 1.00 0.99 O ATOM 0 H GLU A 37 -3.054 -0.904 -3.060 1.00 0.23 H new ATOM 0 HA GLU A 37 -5.857 -0.497 -2.969 1.00 0.25 H new ATOM 0 HB2 GLU A 37 -3.629 -0.482 -4.866 1.00 0.26 H new ATOM 0 HB3 GLU A 37 -5.028 -1.259 -5.580 1.00 0.26 H new ATOM 0 HG2 GLU A 37 -5.309 1.398 -4.188 1.00 0.31 H new ATOM 0 HG3 GLU A 37 -4.699 1.317 -5.829 1.00 0.31 H new ATOM 625 N LEU A 38 -4.792 -3.512 -3.596 1.00 0.24 N ATOM 626 CA LEU A 38 -5.149 -4.896 -3.781 1.00 0.26 C ATOM 627 C LEU A 38 -5.697 -5.497 -2.501 1.00 0.27 C ATOM 628 O LEU A 38 -6.396 -6.501 -2.539 1.00 0.30 O ATOM 629 CB LEU A 38 -3.911 -5.656 -4.266 1.00 0.26 C ATOM 630 CG LEU A 38 -4.147 -7.069 -4.796 1.00 0.32 C ATOM 631 CD1 LEU A 38 -4.422 -8.012 -3.647 1.00 0.60 C ATOM 632 CD2 LEU A 38 -5.296 -7.093 -5.798 1.00 0.69 C ATOM 0 H LEU A 38 -3.792 -3.361 -3.460 1.00 0.24 H new ATOM 0 HA LEU A 38 -5.940 -4.973 -4.527 1.00 0.26 H new ATOM 0 HB2 LEU A 38 -3.437 -5.070 -5.054 1.00 0.26 H new ATOM 0 HB3 LEU A 38 -3.201 -5.714 -3.441 1.00 0.26 H new ATOM 0 HG LEU A 38 -3.247 -7.398 -5.315 1.00 0.32 H new ATOM 0 HD11 LEU A 38 -4.589 -9.017 -4.033 1.00 0.60 H new ATOM 0 HD12 LEU A 38 -3.567 -8.021 -2.971 1.00 0.60 H new ATOM 0 HD13 LEU A 38 -5.308 -7.679 -3.107 1.00 0.60 H new ATOM 0 HD21 LEU A 38 -5.442 -8.111 -6.159 1.00 0.69 H new ATOM 0 HD22 LEU A 38 -6.208 -6.745 -5.314 1.00 0.69 H new ATOM 0 HD23 LEU A 38 -5.060 -6.440 -6.638 1.00 0.69 H new ATOM 644 N LEU A 39 -5.408 -4.872 -1.370 1.00 0.25 N ATOM 645 CA LEU A 39 -5.926 -5.364 -0.106 1.00 0.26 C ATOM 646 C LEU A 39 -7.283 -4.748 0.114 1.00 0.26 C ATOM 647 O LEU A 39 -8.199 -5.379 0.637 1.00 0.27 O ATOM 648 CB LEU A 39 -4.984 -5.034 1.050 1.00 0.27 C ATOM 649 CG LEU A 39 -3.502 -5.273 0.767 1.00 0.33 C ATOM 650 CD1 LEU A 39 -2.647 -4.452 1.716 1.00 0.34 C ATOM 651 CD2 LEU A 39 -3.169 -6.752 0.889 1.00 0.40 C ATOM 0 H LEU A 39 -4.827 -4.036 -1.302 1.00 0.25 H new ATOM 0 HA LEU A 39 -6.008 -6.450 -0.142 1.00 0.26 H new ATOM 0 HB2 LEU A 39 -5.122 -3.988 1.323 1.00 0.27 H new ATOM 0 HB3 LEU A 39 -5.273 -5.630 1.916 1.00 0.27 H new ATOM 0 HG LEU A 39 -3.286 -4.957 -0.254 1.00 0.33 H new ATOM 0 HD11 LEU A 39 -1.593 -4.631 1.504 1.00 0.34 H new ATOM 0 HD12 LEU A 39 -2.869 -3.393 1.582 1.00 0.34 H new ATOM 0 HD13 LEU A 39 -2.864 -4.741 2.744 1.00 0.34 H new ATOM 0 HD21 LEU A 39 -2.109 -6.904 0.684 1.00 0.40 H new ATOM 0 HD22 LEU A 39 -3.396 -7.094 1.899 1.00 0.40 H new ATOM 0 HD23 LEU A 39 -3.762 -7.319 0.172 1.00 0.40 H new ATOM 663 N LEU A 40 -7.396 -3.517 -0.340 1.00 0.24 N ATOM 664 CA LEU A 40 -8.630 -2.784 -0.262 1.00 0.25 C ATOM 665 C LEU A 40 -9.726 -3.631 -0.893 1.00 0.27 C ATOM 666 O LEU A 40 -10.730 -3.950 -0.260 1.00 0.29 O ATOM 667 CB LEU A 40 -8.455 -1.463 -1.008 1.00 0.25 C ATOM 668 CG LEU A 40 -8.601 -0.186 -0.168 1.00 0.27 C ATOM 669 CD1 LEU A 40 -8.062 -0.387 1.243 1.00 0.28 C ATOM 670 CD2 LEU A 40 -7.882 0.971 -0.843 1.00 0.29 C ATOM 0 H LEU A 40 -6.630 -3.001 -0.773 1.00 0.24 H new ATOM 0 HA LEU A 40 -8.903 -2.567 0.771 1.00 0.25 H new ATOM 0 HB2 LEU A 40 -7.468 -1.458 -1.470 1.00 0.25 H new ATOM 0 HB3 LEU A 40 -9.185 -1.427 -1.817 1.00 0.25 H new ATOM 0 HG LEU A 40 -9.663 0.047 -0.093 1.00 0.27 H new ATOM 0 HD11 LEU A 40 -8.180 0.535 1.812 1.00 0.28 H new ATOM 0 HD12 LEU A 40 -8.614 -1.189 1.733 1.00 0.28 H new ATOM 0 HD13 LEU A 40 -7.006 -0.651 1.195 1.00 0.28 H new ATOM 0 HD21 LEU A 40 -7.993 1.871 -0.238 1.00 0.29 H new ATOM 0 HD22 LEU A 40 -6.824 0.731 -0.946 1.00 0.29 H new ATOM 0 HD23 LEU A 40 -8.313 1.142 -1.829 1.00 0.29 H new ATOM 682 N ARG A 41 -9.503 -3.986 -2.154 1.00 0.28 N ATOM 683 CA ARG A 41 -10.438 -4.799 -2.933 1.00 0.33 C ATOM 684 C ARG A 41 -10.909 -6.028 -2.167 1.00 0.35 C ATOM 685 O ARG A 41 -12.106 -6.292 -2.046 1.00 0.36 O ATOM 686 CB ARG A 41 -9.736 -5.258 -4.210 1.00 0.34 C ATOM 687 CG ARG A 41 -10.499 -4.926 -5.479 1.00 0.78 C ATOM 688 CD ARG A 41 -9.954 -5.688 -6.676 1.00 1.44 C ATOM 689 NE ARG A 41 -11.026 -6.200 -7.526 1.00 2.09 N ATOM 690 CZ ARG A 41 -11.372 -7.482 -7.589 1.00 2.87 C ATOM 691 NH1 ARG A 41 -10.728 -8.384 -6.858 1.00 3.32 N ATOM 692 NH2 ARG A 41 -12.361 -7.864 -8.385 1.00 3.63 N ATOM 0 H ARG A 41 -8.665 -3.718 -2.670 1.00 0.28 H new ATOM 0 HA ARG A 41 -11.313 -4.187 -3.154 1.00 0.33 H new ATOM 0 HB2 ARG A 41 -8.750 -4.796 -4.258 1.00 0.34 H new ATOM 0 HB3 ARG A 41 -9.581 -6.336 -4.161 1.00 0.34 H new ATOM 0 HG2 ARG A 41 -11.553 -5.166 -5.343 1.00 0.78 H new ATOM 0 HG3 ARG A 41 -10.438 -3.855 -5.671 1.00 0.78 H new ATOM 0 HD2 ARG A 41 -9.308 -5.033 -7.261 1.00 1.44 H new ATOM 0 HD3 ARG A 41 -9.337 -6.517 -6.329 1.00 1.44 H new ATOM 0 HE ARG A 41 -11.539 -5.535 -8.105 1.00 2.09 H new ATOM 0 HH11 ARG A 41 -9.965 -8.094 -6.246 1.00 3.32 H new ATOM 0 HH12 ARG A 41 -10.996 -9.367 -6.909 1.00 3.32 H new ATOM 0 HH21 ARG A 41 -12.857 -7.174 -8.949 1.00 3.63 H new ATOM 0 HH22 ARG A 41 -12.626 -8.848 -8.433 1.00 3.63 H new ATOM 706 N GLU A 42 -9.938 -6.781 -1.692 1.00 0.38 N ATOM 707 CA GLU A 42 -10.167 -8.023 -0.960 1.00 0.41 C ATOM 708 C GLU A 42 -11.255 -7.888 0.104 1.00 0.37 C ATOM 709 O GLU A 42 -11.870 -8.881 0.494 1.00 0.43 O ATOM 710 CB GLU A 42 -8.856 -8.479 -0.314 1.00 0.45 C ATOM 711 CG GLU A 42 -8.162 -9.594 -1.073 1.00 0.60 C ATOM 712 CD GLU A 42 -7.600 -10.662 -0.156 1.00 0.73 C ATOM 713 OE1 GLU A 42 -8.254 -10.975 0.861 1.00 0.85 O ATOM 714 OE2 GLU A 42 -6.505 -11.184 -0.454 1.00 1.14 O ATOM 0 H GLU A 42 -8.951 -6.549 -1.802 1.00 0.38 H new ATOM 0 HA GLU A 42 -10.516 -8.767 -1.676 1.00 0.41 H new ATOM 0 HB2 GLU A 42 -8.181 -7.626 -0.240 1.00 0.45 H new ATOM 0 HB3 GLU A 42 -9.059 -8.814 0.703 1.00 0.45 H new ATOM 0 HG2 GLU A 42 -8.868 -10.051 -1.766 1.00 0.60 H new ATOM 0 HG3 GLU A 42 -7.354 -9.173 -1.672 1.00 0.60 H new ATOM 721 N ASN A 43 -11.497 -6.668 0.574 1.00 0.35 N ATOM 722 CA ASN A 43 -12.518 -6.448 1.590 1.00 0.34 C ATOM 723 C ASN A 43 -13.576 -5.450 1.116 1.00 0.35 C ATOM 724 O ASN A 43 -14.642 -5.336 1.721 1.00 0.37 O ATOM 725 CB ASN A 43 -11.881 -5.969 2.893 1.00 0.30 C ATOM 726 CG ASN A 43 -10.460 -6.475 3.064 1.00 0.30 C ATOM 727 OD1 ASN A 43 -10.240 -7.637 3.402 1.00 0.39 O ATOM 728 ND2 ASN A 43 -9.489 -5.600 2.830 1.00 0.28 N ATOM 0 H ASN A 43 -11.006 -5.827 0.271 1.00 0.35 H new ATOM 0 HA ASN A 43 -13.016 -7.401 1.770 1.00 0.34 H new ATOM 0 HB2 ASN A 43 -11.881 -4.879 2.915 1.00 0.30 H new ATOM 0 HB3 ASN A 43 -12.487 -6.304 3.735 1.00 0.30 H new ATOM 0 HD21 ASN A 43 -8.514 -5.882 2.929 1.00 0.28 H new ATOM 0 HD22 ASN A 43 -9.718 -4.646 2.552 1.00 0.28 H new ATOM 735 N GLY A 44 -13.287 -4.742 0.023 1.00 0.35 N ATOM 736 CA GLY A 44 -14.245 -3.783 -0.507 1.00 0.39 C ATOM 737 C GLY A 44 -14.044 -2.370 0.017 1.00 0.37 C ATOM 738 O GLY A 44 -15.012 -1.637 0.208 1.00 0.40 O ATOM 0 H GLY A 44 -12.415 -4.815 -0.500 1.00 0.35 H new ATOM 0 HA2 GLY A 44 -14.172 -3.772 -1.595 1.00 0.39 H new ATOM 0 HA3 GLY A 44 -15.253 -4.114 -0.258 1.00 0.39 H new ATOM 742 N TRP A 45 -12.792 -1.980 0.239 1.00 0.34 N ATOM 743 CA TRP A 45 -12.492 -0.638 0.735 1.00 0.36 C ATOM 744 C TRP A 45 -12.091 0.296 -0.401 1.00 0.39 C ATOM 745 O TRP A 45 -11.503 -0.133 -1.395 1.00 0.43 O ATOM 746 CB TRP A 45 -11.365 -0.683 1.766 1.00 0.34 C ATOM 747 CG TRP A 45 -11.717 -1.421 3.016 1.00 0.32 C ATOM 748 CD1 TRP A 45 -11.379 -2.703 3.328 1.00 0.55 C ATOM 749 CD2 TRP A 45 -12.465 -0.921 4.128 1.00 0.27 C ATOM 750 NE1 TRP A 45 -11.881 -3.037 4.562 1.00 0.59 N ATOM 751 CE2 TRP A 45 -12.550 -1.959 5.074 1.00 0.44 C ATOM 752 CE3 TRP A 45 -13.074 0.303 4.412 1.00 0.34 C ATOM 753 CZ2 TRP A 45 -13.219 -1.808 6.286 1.00 0.54 C ATOM 754 CZ3 TRP A 45 -13.737 0.452 5.616 1.00 0.51 C ATOM 755 CH2 TRP A 45 -13.806 -0.599 6.539 1.00 0.56 C ATOM 0 H TRP A 45 -11.973 -2.568 0.085 1.00 0.34 H new ATOM 0 HA TRP A 45 -13.399 -0.256 1.203 1.00 0.36 H new ATOM 0 HB2 TRP A 45 -10.491 -1.151 1.314 1.00 0.34 H new ATOM 0 HB3 TRP A 45 -11.082 0.337 2.026 1.00 0.34 H new ATOM 0 HD1 TRP A 45 -10.800 -3.361 2.697 1.00 0.55 H new ATOM 0 HE1 TRP A 45 -11.773 -3.941 5.022 1.00 0.59 H new ATOM 0 HE3 TRP A 45 -13.028 1.118 3.705 1.00 0.34 H new ATOM 0 HZ2 TRP A 45 -13.272 -2.616 7.000 1.00 0.54 H new ATOM 0 HZ3 TRP A 45 -14.210 1.395 5.849 1.00 0.51 H new ATOM 0 HH2 TRP A 45 -14.334 -0.452 7.470 1.00 0.56 H new ATOM 766 N LYS A 46 -12.397 1.579 -0.236 1.00 0.41 N ATOM 767 CA LYS A 46 -12.055 2.587 -1.230 1.00 0.50 C ATOM 768 C LYS A 46 -11.328 3.750 -0.567 1.00 0.51 C ATOM 769 O LYS A 46 -11.521 4.015 0.618 1.00 0.47 O ATOM 770 CB LYS A 46 -13.309 3.092 -1.946 1.00 0.59 C ATOM 771 CG LYS A 46 -14.263 1.986 -2.358 1.00 1.22 C ATOM 772 CD LYS A 46 -14.229 1.751 -3.860 1.00 1.73 C ATOM 773 CE LYS A 46 -13.131 0.773 -4.245 1.00 2.80 C ATOM 774 NZ LYS A 46 -12.487 1.140 -5.535 1.00 3.65 N ATOM 0 H LYS A 46 -12.884 1.945 0.582 1.00 0.41 H new ATOM 0 HA LYS A 46 -11.398 2.130 -1.970 1.00 0.50 H new ATOM 0 HB2 LYS A 46 -13.834 3.788 -1.292 1.00 0.59 H new ATOM 0 HB3 LYS A 46 -13.010 3.651 -2.833 1.00 0.59 H new ATOM 0 HG2 LYS A 46 -14.000 1.065 -1.839 1.00 1.22 H new ATOM 0 HG3 LYS A 46 -15.276 2.246 -2.052 1.00 1.22 H new ATOM 0 HD2 LYS A 46 -15.193 1.366 -4.191 1.00 1.73 H new ATOM 0 HD3 LYS A 46 -14.071 2.699 -4.374 1.00 1.73 H new ATOM 0 HE2 LYS A 46 -12.377 0.746 -3.458 1.00 2.80 H new ATOM 0 HE3 LYS A 46 -13.549 -0.231 -4.321 1.00 2.80 H new ATOM 0 HZ1 LYS A 46 -11.744 0.448 -5.761 1.00 3.65 H new ATOM 0 HZ2 LYS A 46 -13.201 1.141 -6.291 1.00 3.65 H new ATOM 0 HZ3 LYS A 46 -12.065 2.087 -5.455 1.00 3.65 H new ATOM 788 N ALA A 47 -10.482 4.433 -1.329 1.00 0.58 N ATOM 789 CA ALA A 47 -9.721 5.555 -0.794 1.00 0.63 C ATOM 790 C ALA A 47 -10.171 6.884 -1.389 1.00 0.70 C ATOM 791 O ALA A 47 -10.217 7.052 -2.608 1.00 0.75 O ATOM 792 CB ALA A 47 -8.236 5.344 -1.038 1.00 0.71 C ATOM 0 H ALA A 47 -10.306 4.231 -2.313 1.00 0.58 H new ATOM 0 HA ALA A 47 -9.908 5.598 0.279 1.00 0.63 H new ATOM 0 HB1 ALA A 47 -7.677 6.188 -0.634 1.00 0.71 H new ATOM 0 HB2 ALA A 47 -7.913 4.427 -0.546 1.00 0.71 H new ATOM 0 HB3 ALA A 47 -8.051 5.266 -2.109 1.00 0.71 H new ATOM 798 N ALA A 48 -10.493 7.826 -0.510 1.00 0.74 N ATOM 799 CA ALA A 48 -10.934 9.151 -0.920 1.00 0.84 C ATOM 800 C ALA A 48 -10.420 10.200 0.060 1.00 0.94 C ATOM 801 O ALA A 48 -9.796 9.861 1.065 1.00 0.92 O ATOM 802 CB ALA A 48 -12.452 9.199 -1.009 1.00 0.79 C ATOM 0 H ALA A 48 -10.456 7.693 0.501 1.00 0.74 H new ATOM 0 HA ALA A 48 -10.526 9.369 -1.907 1.00 0.84 H new ATOM 0 HB1 ALA A 48 -12.767 10.196 -1.317 1.00 0.79 H new ATOM 0 HB2 ALA A 48 -12.797 8.468 -1.740 1.00 0.79 H new ATOM 0 HB3 ALA A 48 -12.881 8.968 -0.034 1.00 0.79 H new ATOM 808 N LYS A 49 -10.689 11.468 -0.224 1.00 1.06 N ATOM 809 CA LYS A 49 -10.254 12.546 0.655 1.00 1.18 C ATOM 810 C LYS A 49 -11.394 13.517 0.928 1.00 1.27 C ATOM 811 O LYS A 49 -12.350 13.608 0.155 1.00 1.27 O ATOM 812 CB LYS A 49 -9.062 13.295 0.054 1.00 1.31 C ATOM 813 CG LYS A 49 -8.022 13.708 1.082 1.00 1.36 C ATOM 814 CD LYS A 49 -6.658 13.924 0.443 1.00 1.44 C ATOM 815 CE LYS A 49 -6.099 12.635 -0.140 1.00 1.33 C ATOM 816 NZ LYS A 49 -4.845 12.870 -0.908 1.00 1.82 N ATOM 0 H LYS A 49 -11.203 11.774 -1.050 1.00 1.06 H new ATOM 0 HA LYS A 49 -9.943 12.098 1.599 1.00 1.18 H new ATOM 0 HB2 LYS A 49 -8.588 12.663 -0.697 1.00 1.31 H new ATOM 0 HB3 LYS A 49 -9.425 14.184 -0.461 1.00 1.31 H new ATOM 0 HG2 LYS A 49 -8.342 14.625 1.576 1.00 1.36 H new ATOM 0 HG3 LYS A 49 -7.946 12.941 1.852 1.00 1.36 H new ATOM 0 HD2 LYS A 49 -6.739 14.674 -0.344 1.00 1.44 H new ATOM 0 HD3 LYS A 49 -5.966 14.317 1.187 1.00 1.44 H new ATOM 0 HE2 LYS A 49 -5.904 11.927 0.666 1.00 1.33 H new ATOM 0 HE3 LYS A 49 -6.844 12.179 -0.792 1.00 1.33 H new ATOM 0 HZ1 LYS A 49 -4.497 11.967 -1.289 1.00 1.82 H new ATOM 0 HZ2 LYS A 49 -5.036 13.526 -1.692 1.00 1.82 H new ATOM 0 HZ3 LYS A 49 -4.125 13.282 -0.280 1.00 1.82 H new ATOM 830 N THR A 50 -11.283 14.237 2.034 1.00 1.36 N ATOM 831 CA THR A 50 -12.293 15.202 2.434 1.00 1.47 C ATOM 832 C THR A 50 -11.994 16.576 1.854 1.00 1.62 C ATOM 833 O THR A 50 -10.970 16.773 1.198 1.00 1.64 O ATOM 834 CB THR A 50 -12.358 15.320 3.966 1.00 1.47 C ATOM 835 OG1 THR A 50 -11.213 16.030 4.446 1.00 1.51 O ATOM 836 CG2 THR A 50 -12.424 13.946 4.616 1.00 1.34 C ATOM 0 H THR A 50 -10.494 14.169 2.676 1.00 1.36 H new ATOM 0 HA THR A 50 -13.250 14.846 2.052 1.00 1.47 H new ATOM 0 HB THR A 50 -13.263 15.867 4.230 1.00 1.47 H new ATOM 0 HG1 THR A 50 -11.502 16.756 5.037 1.00 1.51 H new ATOM 0 HG21 THR A 50 -12.469 14.058 5.699 1.00 1.34 H new ATOM 0 HG22 THR A 50 -13.314 13.421 4.268 1.00 1.34 H new ATOM 0 HG23 THR A 50 -11.536 13.373 4.347 1.00 1.34 H new ATOM 844 N ALA A 51 -12.878 17.531 2.119 1.00 1.74 N ATOM 845 CA ALA A 51 -12.687 18.894 1.641 1.00 1.90 C ATOM 846 C ALA A 51 -11.563 19.564 2.421 1.00 2.01 C ATOM 847 O ALA A 51 -11.174 20.696 2.130 1.00 2.29 O ATOM 848 CB ALA A 51 -13.979 19.689 1.767 1.00 1.99 C ATOM 0 H ALA A 51 -13.731 17.387 2.660 1.00 1.74 H new ATOM 0 HA ALA A 51 -12.411 18.864 0.587 1.00 1.90 H new ATOM 0 HB1 ALA A 51 -13.818 20.705 1.405 1.00 1.99 H new ATOM 0 HB2 ALA A 51 -14.759 19.212 1.174 1.00 1.99 H new ATOM 0 HB3 ALA A 51 -14.286 19.720 2.812 1.00 1.99 H new ATOM 854 N ASP A 52 -11.044 18.845 3.414 1.00 1.82 N ATOM 855 CA ASP A 52 -9.959 19.348 4.245 1.00 1.90 C ATOM 856 C ASP A 52 -8.688 18.534 4.029 1.00 1.81 C ATOM 857 O ASP A 52 -7.790 18.535 4.870 1.00 1.82 O ATOM 858 CB ASP A 52 -10.357 19.313 5.723 1.00 1.92 C ATOM 859 CG ASP A 52 -9.858 20.525 6.486 1.00 2.03 C ATOM 860 OD1 ASP A 52 -8.971 21.233 5.963 1.00 1.97 O ATOM 861 OD2 ASP A 52 -10.355 20.767 7.605 1.00 2.45 O ATOM 0 H ASP A 52 -11.361 17.908 3.661 1.00 1.82 H new ATOM 0 HA ASP A 52 -9.763 20.380 3.955 1.00 1.90 H new ATOM 0 HB2 ASP A 52 -11.443 19.259 5.803 1.00 1.92 H new ATOM 0 HB3 ASP A 52 -9.958 18.409 6.182 1.00 1.92 H new ATOM 866 N GLY A 53 -8.620 17.840 2.897 1.00 1.73 N ATOM 867 CA GLY A 53 -7.457 17.032 2.595 1.00 1.66 C ATOM 868 C GLY A 53 -7.324 15.852 3.530 1.00 1.53 C ATOM 869 O GLY A 53 -6.254 15.249 3.631 1.00 1.55 O ATOM 0 H GLY A 53 -9.350 17.824 2.185 1.00 1.73 H new ATOM 0 HA2 GLY A 53 -7.522 16.674 1.568 1.00 1.66 H new ATOM 0 HA3 GLY A 53 -6.561 17.649 2.661 1.00 1.66 H new ATOM 873 N LYS A 54 -8.418 15.507 4.200 1.00 1.43 N ATOM 874 CA LYS A 54 -8.412 14.370 5.112 1.00 1.32 C ATOM 875 C LYS A 54 -8.628 13.081 4.333 1.00 1.19 C ATOM 876 O LYS A 54 -9.654 12.902 3.683 1.00 1.20 O ATOM 877 CB LYS A 54 -9.474 14.516 6.204 1.00 1.33 C ATOM 878 CG LYS A 54 -9.084 15.492 7.299 1.00 1.57 C ATOM 879 CD LYS A 54 -10.272 16.317 7.767 1.00 1.57 C ATOM 880 CE LYS A 54 -9.843 17.412 8.728 1.00 1.53 C ATOM 881 NZ LYS A 54 -9.106 16.865 9.901 1.00 1.92 N ATOM 0 H LYS A 54 -9.312 15.993 4.130 1.00 1.43 H new ATOM 0 HA LYS A 54 -7.439 14.337 5.603 1.00 1.32 H new ATOM 0 HB2 LYS A 54 -10.408 14.846 5.750 1.00 1.33 H new ATOM 0 HB3 LYS A 54 -9.663 13.539 6.649 1.00 1.33 H new ATOM 0 HG2 LYS A 54 -8.667 14.944 8.143 1.00 1.57 H new ATOM 0 HG3 LYS A 54 -8.302 16.156 6.932 1.00 1.57 H new ATOM 0 HD2 LYS A 54 -10.770 16.762 6.905 1.00 1.57 H new ATOM 0 HD3 LYS A 54 -10.999 15.667 8.255 1.00 1.57 H new ATOM 0 HE2 LYS A 54 -9.210 18.128 8.203 1.00 1.53 H new ATOM 0 HE3 LYS A 54 -10.722 17.957 9.073 1.00 1.53 H new ATOM 0 HZ1 LYS A 54 -9.009 17.605 10.626 1.00 1.92 H new ATOM 0 HZ2 LYS A 54 -9.632 16.059 10.296 1.00 1.92 H new ATOM 0 HZ3 LYS A 54 -8.162 16.549 9.601 1.00 1.92 H new ATOM 895 N VAL A 55 -7.661 12.177 4.412 1.00 1.09 N ATOM 896 CA VAL A 55 -7.765 10.906 3.713 1.00 0.99 C ATOM 897 C VAL A 55 -8.583 9.922 4.536 1.00 0.88 C ATOM 898 O VAL A 55 -8.287 9.688 5.708 1.00 0.90 O ATOM 899 CB VAL A 55 -6.380 10.296 3.423 1.00 0.98 C ATOM 900 CG1 VAL A 55 -6.460 9.318 2.258 1.00 0.93 C ATOM 901 CG2 VAL A 55 -5.359 11.388 3.140 1.00 1.14 C ATOM 0 H VAL A 55 -6.802 12.299 4.949 1.00 1.09 H new ATOM 0 HA VAL A 55 -8.259 11.099 2.761 1.00 0.99 H new ATOM 0 HB VAL A 55 -6.055 9.749 4.308 1.00 0.98 H new ATOM 0 HG11 VAL A 55 -5.473 8.897 2.068 1.00 0.93 H new ATOM 0 HG12 VAL A 55 -7.155 8.515 2.504 1.00 0.93 H new ATOM 0 HG13 VAL A 55 -6.809 9.841 1.368 1.00 0.93 H new ATOM 0 HG21 VAL A 55 -4.388 10.935 2.938 1.00 1.14 H new ATOM 0 HG22 VAL A 55 -5.677 11.967 2.273 1.00 1.14 H new ATOM 0 HG23 VAL A 55 -5.280 12.045 4.006 1.00 1.14 H new ATOM 911 N TYR A 56 -9.613 9.353 3.927 1.00 0.80 N ATOM 912 CA TYR A 56 -10.470 8.403 4.620 1.00 0.74 C ATOM 913 C TYR A 56 -10.903 7.269 3.696 1.00 0.63 C ATOM 914 O TYR A 56 -11.209 7.487 2.523 1.00 0.62 O ATOM 915 CB TYR A 56 -11.698 9.119 5.194 1.00 0.85 C ATOM 916 CG TYR A 56 -12.817 9.326 4.195 1.00 0.89 C ATOM 917 CD1 TYR A 56 -12.709 10.283 3.195 1.00 0.97 C ATOM 918 CD2 TYR A 56 -13.979 8.565 4.252 1.00 0.89 C ATOM 919 CE1 TYR A 56 -13.726 10.479 2.281 1.00 1.02 C ATOM 920 CE2 TYR A 56 -15.001 8.754 3.341 1.00 0.93 C ATOM 921 CZ TYR A 56 -14.875 9.699 2.362 1.00 0.98 C ATOM 922 OH TYR A 56 -15.884 9.905 1.449 1.00 1.03 O ATOM 0 H TYR A 56 -9.875 9.532 2.958 1.00 0.80 H new ATOM 0 HA TYR A 56 -9.897 7.967 5.438 1.00 0.74 H new ATOM 0 HB2 TYR A 56 -12.080 8.543 6.037 1.00 0.85 H new ATOM 0 HB3 TYR A 56 -11.390 10.089 5.584 1.00 0.85 H new ATOM 0 HD1 TYR A 56 -11.814 10.885 3.131 1.00 0.97 H new ATOM 0 HD2 TYR A 56 -14.085 7.814 5.021 1.00 0.89 H new ATOM 0 HE1 TYR A 56 -13.630 11.230 1.511 1.00 1.02 H new ATOM 0 HE2 TYR A 56 -15.898 8.156 3.403 1.00 0.93 H new ATOM 0 HH TYR A 56 -16.621 9.285 1.631 1.00 1.03 H new ATOM 932 N TYR A 57 -10.934 6.060 4.241 1.00 0.58 N ATOM 933 CA TYR A 57 -11.341 4.886 3.483 1.00 0.48 C ATOM 934 C TYR A 57 -12.739 4.457 3.903 1.00 0.45 C ATOM 935 O TYR A 57 -13.091 4.538 5.078 1.00 0.47 O ATOM 936 CB TYR A 57 -10.349 3.741 3.699 1.00 0.43 C ATOM 937 CG TYR A 57 -8.908 4.136 3.468 1.00 0.44 C ATOM 938 CD1 TYR A 57 -8.140 4.668 4.496 1.00 0.49 C ATOM 939 CD2 TYR A 57 -8.314 3.973 2.223 1.00 0.45 C ATOM 940 CE1 TYR A 57 -6.823 5.031 4.288 1.00 0.51 C ATOM 941 CE2 TYR A 57 -6.998 4.332 2.007 1.00 0.48 C ATOM 942 CZ TYR A 57 -6.257 4.865 3.044 1.00 0.49 C ATOM 943 OH TYR A 57 -4.945 5.219 2.832 1.00 0.54 O ATOM 0 H TYR A 57 -10.681 5.867 5.210 1.00 0.58 H new ATOM 0 HA TYR A 57 -11.351 5.139 2.423 1.00 0.48 H new ATOM 0 HB2 TYR A 57 -10.455 3.367 4.717 1.00 0.43 H new ATOM 0 HB3 TYR A 57 -10.604 2.920 3.029 1.00 0.43 H new ATOM 0 HD1 TYR A 57 -8.579 4.800 5.474 1.00 0.49 H new ATOM 0 HD2 TYR A 57 -8.891 3.558 1.410 1.00 0.45 H new ATOM 0 HE1 TYR A 57 -6.240 5.443 5.098 1.00 0.51 H new ATOM 0 HE2 TYR A 57 -6.551 4.197 1.033 1.00 0.48 H new ATOM 0 HH TYR A 57 -4.703 5.036 1.900 1.00 0.54 H new ATOM 953 N TYR A 58 -13.538 4.003 2.944 1.00 0.41 N ATOM 954 CA TYR A 58 -14.898 3.570 3.247 1.00 0.41 C ATOM 955 C TYR A 58 -15.303 2.358 2.411 1.00 0.35 C ATOM 956 O TYR A 58 -14.845 2.188 1.281 1.00 0.34 O ATOM 957 CB TYR A 58 -15.885 4.726 3.040 1.00 0.46 C ATOM 958 CG TYR A 58 -16.399 4.860 1.624 1.00 0.45 C ATOM 959 CD1 TYR A 58 -15.640 5.497 0.650 1.00 0.45 C ATOM 960 CD2 TYR A 58 -17.638 4.346 1.260 1.00 0.47 C ATOM 961 CE1 TYR A 58 -16.100 5.621 -0.645 1.00 0.46 C ATOM 962 CE2 TYR A 58 -18.105 4.464 -0.034 1.00 0.48 C ATOM 963 CZ TYR A 58 -17.356 5.111 -0.975 1.00 0.47 C ATOM 964 OH TYR A 58 -17.796 5.222 -2.274 1.00 0.50 O ATOM 0 H TYR A 58 -13.273 3.925 1.962 1.00 0.41 H new ATOM 0 HA TYR A 58 -14.926 3.268 4.294 1.00 0.41 H new ATOM 0 HB2 TYR A 58 -16.733 4.588 3.710 1.00 0.46 H new ATOM 0 HB3 TYR A 58 -15.400 5.659 3.328 1.00 0.46 H new ATOM 0 HD1 TYR A 58 -14.673 5.902 0.911 1.00 0.45 H new ATOM 0 HD2 TYR A 58 -18.245 3.847 2.001 1.00 0.47 H new ATOM 0 HE1 TYR A 58 -15.494 6.108 -1.395 1.00 0.46 H new ATOM 0 HE2 TYR A 58 -19.063 4.044 -0.302 1.00 0.48 H new ATOM 0 HH TYR A 58 -18.687 4.821 -2.353 1.00 0.50 H new ATOM 974 N ASN A 59 -16.167 1.524 2.980 1.00 0.34 N ATOM 975 CA ASN A 59 -16.643 0.324 2.298 1.00 0.32 C ATOM 976 C ASN A 59 -18.038 0.553 1.719 1.00 0.35 C ATOM 977 O ASN A 59 -19.011 0.634 2.463 1.00 0.41 O ATOM 978 CB ASN A 59 -16.675 -0.855 3.273 1.00 0.33 C ATOM 979 CG ASN A 59 -16.226 -2.157 2.638 1.00 0.33 C ATOM 980 OD1 ASN A 59 -16.928 -2.727 1.804 1.00 0.44 O ATOM 981 ND2 ASN A 59 -15.052 -2.631 3.035 1.00 0.46 N ATOM 0 H ASN A 59 -16.553 1.657 3.915 1.00 0.34 H new ATOM 0 HA ASN A 59 -15.958 0.097 1.481 1.00 0.32 H new ATOM 0 HB2 ASN A 59 -16.034 -0.632 4.126 1.00 0.33 H new ATOM 0 HB3 ASN A 59 -17.688 -0.974 3.658 1.00 0.33 H new ATOM 0 HD21 ASN A 59 -14.696 -3.504 2.645 1.00 0.46 H new ATOM 0 HD22 ASN A 59 -14.505 -2.122 3.730 1.00 0.46 H new ATOM 988 N PRO A 60 -18.157 0.670 0.383 1.00 0.36 N ATOM 989 CA PRO A 60 -19.446 0.901 -0.282 1.00 0.42 C ATOM 990 C PRO A 60 -20.366 -0.316 -0.221 1.00 0.45 C ATOM 991 O PRO A 60 -21.534 -0.240 -0.603 1.00 0.46 O ATOM 992 CB PRO A 60 -19.065 1.198 -1.740 1.00 0.47 C ATOM 993 CG PRO A 60 -17.585 1.404 -1.737 1.00 0.43 C ATOM 994 CD PRO A 60 -17.056 0.601 -0.586 1.00 0.36 C ATOM 0 HA PRO A 60 -20.000 1.706 0.201 1.00 0.42 H new ATOM 0 HB2 PRO A 60 -19.344 0.372 -2.394 1.00 0.47 H new ATOM 0 HB3 PRO A 60 -19.583 2.084 -2.107 1.00 0.47 H new ATOM 0 HG2 PRO A 60 -17.144 1.074 -2.678 1.00 0.43 H new ATOM 0 HG3 PRO A 60 -17.339 2.460 -1.622 1.00 0.43 H new ATOM 0 HD2 PRO A 60 -16.834 -0.426 -0.876 1.00 0.36 H new ATOM 0 HD3 PRO A 60 -16.135 1.025 -0.185 1.00 0.36 H new ATOM 1002 N THR A 61 -19.834 -1.439 0.250 1.00 0.47 N ATOM 1003 CA THR A 61 -20.610 -2.670 0.349 1.00 0.53 C ATOM 1004 C THR A 61 -21.399 -2.725 1.656 1.00 0.58 C ATOM 1005 O THR A 61 -22.579 -3.074 1.667 1.00 0.64 O ATOM 1006 CB THR A 61 -19.693 -3.910 0.249 1.00 0.53 C ATOM 1007 OG1 THR A 61 -19.481 -4.250 -1.127 1.00 0.96 O ATOM 1008 CG2 THR A 61 -20.290 -5.109 0.980 1.00 0.81 C ATOM 0 H THR A 61 -18.869 -1.522 0.569 1.00 0.47 H new ATOM 0 HA THR A 61 -21.312 -2.677 -0.485 1.00 0.53 H new ATOM 0 HB THR A 61 -18.743 -3.660 0.722 1.00 0.53 H new ATOM 0 HG1 THR A 61 -18.898 -5.035 -1.184 1.00 0.96 H new ATOM 0 HG21 THR A 61 -19.618 -5.962 0.888 1.00 0.81 H new ATOM 0 HG22 THR A 61 -20.423 -4.863 2.034 1.00 0.81 H new ATOM 0 HG23 THR A 61 -21.256 -5.359 0.541 1.00 0.81 H new ATOM 1016 N THR A 62 -20.735 -2.386 2.754 1.00 0.57 N ATOM 1017 CA THR A 62 -21.364 -2.403 4.070 1.00 0.65 C ATOM 1018 C THR A 62 -21.530 -0.989 4.617 1.00 0.65 C ATOM 1019 O THR A 62 -22.024 -0.792 5.728 1.00 0.72 O ATOM 1020 CB THR A 62 -20.538 -3.252 5.062 1.00 0.67 C ATOM 1021 OG1 THR A 62 -20.580 -2.676 6.374 1.00 0.66 O ATOM 1022 CG2 THR A 62 -19.092 -3.371 4.604 1.00 0.73 C ATOM 0 H THR A 62 -19.757 -2.095 2.760 1.00 0.57 H new ATOM 0 HA THR A 62 -22.351 -2.851 3.957 1.00 0.65 H new ATOM 0 HB THR A 62 -20.979 -4.248 5.094 1.00 0.67 H new ATOM 0 HG1 THR A 62 -21.481 -2.334 6.552 1.00 0.66 H new ATOM 0 HG21 THR A 62 -18.532 -3.973 5.319 1.00 0.73 H new ATOM 0 HG22 THR A 62 -19.059 -3.847 3.624 1.00 0.73 H new ATOM 0 HG23 THR A 62 -18.648 -2.378 4.540 1.00 0.73 H new ATOM 1030 N ARG A 63 -21.102 -0.008 3.826 1.00 0.58 N ATOM 1031 CA ARG A 63 -21.181 1.396 4.219 1.00 0.59 C ATOM 1032 C ARG A 63 -20.266 1.659 5.408 1.00 0.60 C ATOM 1033 O ARG A 63 -20.547 2.512 6.251 1.00 0.62 O ATOM 1034 CB ARG A 63 -22.623 1.788 4.560 1.00 0.67 C ATOM 1035 CG ARG A 63 -23.529 1.886 3.344 1.00 0.80 C ATOM 1036 CD ARG A 63 -23.936 3.324 3.064 1.00 1.42 C ATOM 1037 NE ARG A 63 -25.336 3.428 2.660 1.00 2.00 N ATOM 1038 CZ ARG A 63 -25.742 4.048 1.556 1.00 2.29 C ATOM 1039 NH1 ARG A 63 -24.858 4.618 0.746 1.00 2.24 N ATOM 1040 NH2 ARG A 63 -27.033 4.096 1.256 1.00 3.10 N ATOM 0 H ARG A 63 -20.695 -0.162 2.904 1.00 0.58 H new ATOM 0 HA ARG A 63 -20.853 2.007 3.378 1.00 0.59 H new ATOM 0 HB2 ARG A 63 -23.036 1.055 5.253 1.00 0.67 H new ATOM 0 HB3 ARG A 63 -22.618 2.747 5.077 1.00 0.67 H new ATOM 0 HG2 ARG A 63 -23.016 1.476 2.474 1.00 0.80 H new ATOM 0 HG3 ARG A 63 -24.420 1.279 3.504 1.00 0.80 H new ATOM 0 HD2 ARG A 63 -23.770 3.928 3.956 1.00 1.42 H new ATOM 0 HD3 ARG A 63 -23.301 3.734 2.279 1.00 1.42 H new ATOM 0 HE ARG A 63 -26.042 3.001 3.259 1.00 2.00 H new ATOM 0 HH11 ARG A 63 -23.863 4.581 0.970 1.00 2.24 H new ATOM 0 HH12 ARG A 63 -25.173 5.093 -0.100 1.00 2.24 H new ATOM 0 HH21 ARG A 63 -27.717 3.657 1.873 1.00 3.10 H new ATOM 0 HH22 ARG A 63 -27.342 4.572 0.409 1.00 3.10 H new ATOM 1054 N GLU A 64 -19.165 0.912 5.467 1.00 0.60 N ATOM 1055 CA GLU A 64 -18.197 1.048 6.547 1.00 0.62 C ATOM 1056 C GLU A 64 -17.430 2.361 6.434 1.00 0.56 C ATOM 1057 O GLU A 64 -17.606 3.111 5.472 1.00 0.62 O ATOM 1058 CB GLU A 64 -17.229 -0.137 6.556 1.00 0.59 C ATOM 1059 CG GLU A 64 -17.771 -1.352 7.292 1.00 0.79 C ATOM 1060 CD GLU A 64 -16.698 -2.095 8.062 1.00 1.62 C ATOM 1061 OE1 GLU A 64 -15.968 -2.895 7.440 1.00 2.43 O ATOM 1062 OE2 GLU A 64 -16.587 -1.877 9.288 1.00 1.85 O ATOM 0 H GLU A 64 -18.923 0.204 4.774 1.00 0.60 H new ATOM 0 HA GLU A 64 -18.745 1.056 7.489 1.00 0.62 H new ATOM 0 HB2 GLU A 64 -16.999 -0.417 5.528 1.00 0.59 H new ATOM 0 HB3 GLU A 64 -16.292 0.172 7.020 1.00 0.59 H new ATOM 0 HG2 GLU A 64 -18.554 -1.035 7.981 1.00 0.79 H new ATOM 0 HG3 GLU A 64 -18.233 -2.030 6.575 1.00 0.79 H new ATOM 1069 N THR A 65 -16.562 2.618 7.410 1.00 0.68 N ATOM 1070 CA THR A 65 -15.757 3.834 7.408 1.00 0.64 C ATOM 1071 C THR A 65 -14.568 3.748 8.361 1.00 0.63 C ATOM 1072 O THR A 65 -14.740 3.651 9.576 1.00 0.69 O ATOM 1073 CB THR A 65 -16.604 5.063 7.787 1.00 0.77 C ATOM 1074 OG1 THR A 65 -17.809 4.645 8.440 1.00 0.91 O ATOM 1075 CG2 THR A 65 -16.948 5.887 6.555 1.00 0.67 C ATOM 0 H THR A 65 -16.400 2.003 8.208 1.00 0.68 H new ATOM 0 HA THR A 65 -15.380 3.941 6.391 1.00 0.64 H new ATOM 0 HB THR A 65 -16.019 5.683 8.466 1.00 0.77 H new ATOM 0 HG1 THR A 65 -18.341 5.432 8.679 1.00 0.91 H new ATOM 0 HG21 THR A 65 -17.546 6.749 6.849 1.00 0.67 H new ATOM 0 HG22 THR A 65 -16.030 6.229 6.078 1.00 0.67 H new ATOM 0 HG23 THR A 65 -17.515 5.274 5.854 1.00 0.67 H new ATOM 1083 N SER A 66 -13.364 3.805 7.799 1.00 0.55 N ATOM 1084 CA SER A 66 -12.136 3.760 8.587 1.00 0.55 C ATOM 1085 C SER A 66 -11.209 4.895 8.161 1.00 0.56 C ATOM 1086 O SER A 66 -11.113 5.210 6.976 1.00 0.56 O ATOM 1087 CB SER A 66 -11.436 2.411 8.408 1.00 0.48 C ATOM 1088 OG SER A 66 -10.409 2.239 9.369 1.00 1.09 O ATOM 0 H SER A 66 -13.212 3.883 6.793 1.00 0.55 H new ATOM 0 HA SER A 66 -12.388 3.880 9.641 1.00 0.55 H new ATOM 0 HB2 SER A 66 -12.164 1.605 8.500 1.00 0.48 H new ATOM 0 HB3 SER A 66 -11.014 2.347 7.405 1.00 0.48 H new ATOM 0 HG SER A 66 -9.542 2.185 8.915 1.00 1.09 H new ATOM 1094 N TRP A 67 -10.533 5.515 9.124 1.00 0.63 N ATOM 1095 CA TRP A 67 -9.627 6.621 8.821 1.00 0.68 C ATOM 1096 C TRP A 67 -8.269 6.115 8.344 1.00 0.62 C ATOM 1097 O TRP A 67 -7.352 6.902 8.111 1.00 0.68 O ATOM 1098 CB TRP A 67 -9.445 7.519 10.046 1.00 0.77 C ATOM 1099 CG TRP A 67 -10.639 8.381 10.337 1.00 0.90 C ATOM 1100 CD1 TRP A 67 -11.597 8.154 11.280 1.00 0.97 C ATOM 1101 CD2 TRP A 67 -11.001 9.603 9.679 1.00 1.00 C ATOM 1102 NE1 TRP A 67 -12.532 9.159 11.254 1.00 1.09 N ATOM 1103 CE2 TRP A 67 -12.190 10.060 10.281 1.00 1.11 C ATOM 1104 CE3 TRP A 67 -10.439 10.358 8.643 1.00 1.06 C ATOM 1105 CZ2 TRP A 67 -12.823 11.233 9.882 1.00 1.23 C ATOM 1106 CZ3 TRP A 67 -11.071 11.522 8.249 1.00 1.21 C ATOM 1107 CH2 TRP A 67 -12.252 11.951 8.868 1.00 1.28 C ATOM 0 H TRP A 67 -10.594 5.274 10.113 1.00 0.63 H new ATOM 0 HA TRP A 67 -10.077 7.201 8.016 1.00 0.68 H new ATOM 0 HB2 TRP A 67 -9.235 6.896 10.916 1.00 0.77 H new ATOM 0 HB3 TRP A 67 -8.574 8.157 9.893 1.00 0.77 H new ATOM 0 HD1 TRP A 67 -11.617 7.307 11.950 1.00 0.97 H new ATOM 0 HE1 TRP A 67 -13.349 9.224 11.861 1.00 1.09 H new ATOM 0 HE3 TRP A 67 -9.528 10.037 8.160 1.00 1.06 H new ATOM 0 HZ2 TRP A 67 -13.734 11.565 10.357 1.00 1.23 H new ATOM 0 HZ3 TRP A 67 -10.647 12.111 7.450 1.00 1.21 H new ATOM 0 HH2 TRP A 67 -12.721 12.866 8.538 1.00 1.28 H new ATOM 1118 N THR A 68 -8.144 4.798 8.199 1.00 0.54 N ATOM 1119 CA THR A 68 -6.893 4.197 7.748 1.00 0.50 C ATOM 1120 C THR A 68 -7.102 2.759 7.287 1.00 0.45 C ATOM 1121 O THR A 68 -7.994 2.067 7.776 1.00 0.44 O ATOM 1122 CB THR A 68 -5.829 4.218 8.861 1.00 0.50 C ATOM 1123 OG1 THR A 68 -6.439 4.543 10.117 1.00 1.17 O ATOM 1124 CG2 THR A 68 -4.737 5.229 8.547 1.00 1.42 C ATOM 0 H THR A 68 -8.891 4.129 8.387 1.00 0.54 H new ATOM 0 HA THR A 68 -6.543 4.795 6.906 1.00 0.50 H new ATOM 0 HB THR A 68 -5.379 3.227 8.921 1.00 0.50 H new ATOM 0 HG1 THR A 68 -5.756 4.553 10.820 1.00 1.17 H new ATOM 0 HG21 THR A 68 -3.997 5.226 9.347 1.00 1.42 H new ATOM 0 HG22 THR A 68 -4.255 4.964 7.606 1.00 1.42 H new ATOM 0 HG23 THR A 68 -5.175 6.223 8.462 1.00 1.42 H new ATOM 1132 N ILE A 69 -6.270 2.313 6.345 1.00 0.43 N ATOM 1133 CA ILE A 69 -6.362 0.953 5.825 1.00 0.39 C ATOM 1134 C ILE A 69 -6.239 -0.069 6.956 1.00 0.35 C ATOM 1135 O ILE A 69 -5.172 -0.216 7.556 1.00 0.35 O ATOM 1136 CB ILE A 69 -5.272 0.679 4.762 1.00 0.44 C ATOM 1137 CG1 ILE A 69 -5.544 1.497 3.496 1.00 0.57 C ATOM 1138 CG2 ILE A 69 -5.210 -0.806 4.428 1.00 0.38 C ATOM 1139 CD1 ILE A 69 -4.426 1.435 2.473 1.00 0.62 C ATOM 0 H ILE A 69 -5.527 2.874 5.929 1.00 0.43 H new ATOM 0 HA ILE A 69 -7.340 0.853 5.354 1.00 0.39 H new ATOM 0 HB ILE A 69 -4.309 0.981 5.173 1.00 0.44 H new ATOM 0 HG12 ILE A 69 -6.465 1.140 3.035 1.00 0.57 H new ATOM 0 HG13 ILE A 69 -5.710 2.537 3.776 1.00 0.57 H new ATOM 0 HG21 ILE A 69 -4.437 -0.978 3.679 1.00 0.38 H new ATOM 0 HG22 ILE A 69 -4.974 -1.372 5.329 1.00 0.38 H new ATOM 0 HG23 ILE A 69 -6.174 -1.132 4.037 1.00 0.38 H new ATOM 0 HD11 ILE A 69 -4.693 2.039 1.606 1.00 0.62 H new ATOM 0 HD12 ILE A 69 -3.507 1.820 2.915 1.00 0.62 H new ATOM 0 HD13 ILE A 69 -4.274 0.401 2.163 1.00 0.62 H new ATOM 1151 N PRO A 70 -7.336 -0.784 7.272 1.00 0.36 N ATOM 1152 CA PRO A 70 -7.348 -1.790 8.344 1.00 0.37 C ATOM 1153 C PRO A 70 -6.272 -2.856 8.161 1.00 0.38 C ATOM 1154 O PRO A 70 -5.607 -2.913 7.127 1.00 0.41 O ATOM 1155 CB PRO A 70 -8.741 -2.418 8.235 1.00 0.37 C ATOM 1156 CG PRO A 70 -9.574 -1.386 7.557 1.00 0.36 C ATOM 1157 CD PRO A 70 -8.651 -0.666 6.614 1.00 0.42 C ATOM 0 HA PRO A 70 -7.141 -1.342 9.316 1.00 0.37 H new ATOM 0 HB2 PRO A 70 -8.713 -3.344 7.660 1.00 0.37 H new ATOM 0 HB3 PRO A 70 -9.141 -2.665 9.218 1.00 0.37 H new ATOM 0 HG2 PRO A 70 -10.403 -1.845 7.018 1.00 0.36 H new ATOM 0 HG3 PRO A 70 -10.008 -0.697 8.281 1.00 0.36 H new ATOM 0 HD2 PRO A 70 -8.649 -1.124 5.625 1.00 0.42 H new ATOM 0 HD3 PRO A 70 -8.943 0.376 6.482 1.00 0.42 H new ATOM 1165 N ALA A 71 -6.115 -3.703 9.174 1.00 0.48 N ATOM 1166 CA ALA A 71 -5.126 -4.773 9.132 1.00 0.53 C ATOM 1167 C ALA A 71 -5.686 -6.005 8.430 1.00 0.50 C ATOM 1168 O ALA A 71 -6.697 -6.565 8.855 1.00 0.50 O ATOM 1169 CB ALA A 71 -4.667 -5.123 10.538 1.00 0.65 C ATOM 0 H ALA A 71 -6.661 -3.668 10.035 1.00 0.48 H new ATOM 0 HA ALA A 71 -4.266 -4.421 8.562 1.00 0.53 H new ATOM 0 HB1 ALA A 71 -3.929 -5.923 10.491 1.00 0.65 H new ATOM 0 HB2 ALA A 71 -4.221 -4.245 11.004 1.00 0.65 H new ATOM 0 HB3 ALA A 71 -5.522 -5.452 11.128 1.00 0.65 H new ATOM 1175 N PHE A 72 -5.024 -6.421 7.355 1.00 0.50 N ATOM 1176 CA PHE A 72 -5.460 -7.588 6.595 1.00 0.52 C ATOM 1177 C PHE A 72 -4.399 -8.682 6.620 1.00 0.61 C ATOM 1178 O PHE A 72 -3.431 -8.643 5.863 1.00 0.64 O ATOM 1179 CB PHE A 72 -5.778 -7.192 5.153 1.00 0.49 C ATOM 1180 CG PHE A 72 -6.637 -5.962 5.049 1.00 0.40 C ATOM 1181 CD1 PHE A 72 -7.853 -5.894 5.706 1.00 0.37 C ATOM 1182 CD2 PHE A 72 -6.230 -4.877 4.288 1.00 0.40 C ATOM 1183 CE1 PHE A 72 -8.648 -4.767 5.608 1.00 0.33 C ATOM 1184 CE2 PHE A 72 -7.020 -3.750 4.184 1.00 0.38 C ATOM 1185 CZ PHE A 72 -8.220 -3.685 4.868 1.00 0.34 C ATOM 0 H PHE A 72 -4.185 -5.969 6.991 1.00 0.50 H new ATOM 0 HA PHE A 72 -6.364 -7.980 7.061 1.00 0.52 H new ATOM 0 HB2 PHE A 72 -4.845 -7.021 4.616 1.00 0.49 H new ATOM 0 HB3 PHE A 72 -6.283 -8.022 4.659 1.00 0.49 H new ATOM 0 HD1 PHE A 72 -8.185 -6.731 6.302 1.00 0.37 H new ATOM 0 HD2 PHE A 72 -5.283 -4.914 3.770 1.00 0.40 H new ATOM 0 HE1 PHE A 72 -9.603 -4.734 6.111 1.00 0.33 H new ATOM 0 HE2 PHE A 72 -6.702 -2.921 3.570 1.00 0.38 H new ATOM 0 HZ PHE A 72 -8.821 -2.789 4.823 1.00 0.34 H new ATOM 1195 N GLU A 73 -4.591 -9.656 7.506 1.00 0.68 N ATOM 1196 CA GLU A 73 -3.655 -10.765 7.643 1.00 0.78 C ATOM 1197 C GLU A 73 -4.305 -12.084 7.235 1.00 0.93 C ATOM 1198 O GLU A 73 -5.523 -12.160 7.070 1.00 1.03 O ATOM 1199 CB GLU A 73 -3.160 -10.854 9.087 1.00 0.62 C ATOM 1200 CG GLU A 73 -4.279 -11.012 10.100 1.00 1.34 C ATOM 1201 CD GLU A 73 -4.374 -9.836 11.053 1.00 2.08 C ATOM 1202 OE1 GLU A 73 -4.304 -8.681 10.581 1.00 2.81 O ATOM 1203 OE2 GLU A 73 -4.514 -10.069 12.272 1.00 2.45 O ATOM 0 H GLU A 73 -5.389 -9.698 8.140 1.00 0.68 H new ATOM 0 HA GLU A 73 -2.809 -10.581 6.981 1.00 0.78 H new ATOM 0 HB2 GLU A 73 -2.476 -11.698 9.177 1.00 0.62 H new ATOM 0 HB3 GLU A 73 -2.590 -9.956 9.324 1.00 0.62 H new ATOM 0 HG2 GLU A 73 -5.227 -11.126 9.574 1.00 1.34 H new ATOM 0 HG3 GLU A 73 -4.120 -11.926 10.672 1.00 1.34 H new