USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 827 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 20 HIS : no HE2:sc= -19.2! C(o=-19!,f=-20!) USER MOD Set 1.2: A 83 TYR OH : rot -17:sc= 0.209 USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0749 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -140:sc= -0.717 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.0297 K(o=-0.03,f=-1.6!) USER MOD Single : A 14 TYR OH : rot 130:sc= -0.0663 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -135:sc= 0.67 (180deg=0.0126) USER MOD Single : A 29 LYS NZ :NH3+ -101:sc= -7.02! (180deg=-9.73!) USER MOD Single : A 37 GLN : amide:sc= -3.94 X(o=-3.9,f=-3.6!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 48 SER OG : rot 88:sc= 0.164 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= -0.0133 X(o=-0.013,f=-0.021) USER MOD Single : A 60 ASN : amide:sc= -0.0262 K(o=-0.026,f=-1.1) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= -0.323 USER MOD Single : A 67 THR OG1 : rot 19:sc= 0.263 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -0.0101 K(o=-0.01,f=-1.2) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 150:sc= 0.2 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.894 20.713 13.070 1.00 0.00 N ATOM 2 CA GLY A 1 1.078 19.700 12.046 1.00 0.00 C ATOM 3 C GLY A 1 2.508 19.202 11.975 1.00 0.00 C ATOM 4 O GLY A 1 3.317 19.489 12.857 1.00 0.00 O ATOM 0 H1 GLY A 1 0.121 20.428 13.705 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.772 20.817 13.618 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.657 21.621 12.622 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.413 18.860 12.247 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.791 20.110 11.078 1.00 0.00 H new ATOM 8 N SER A 2 2.819 18.451 10.923 1.00 0.00 N ATOM 9 CA SER A 2 4.160 17.907 10.743 1.00 0.00 C ATOM 10 C SER A 2 5.179 19.025 10.546 1.00 0.00 C ATOM 11 O SER A 2 5.171 19.715 9.526 1.00 0.00 O ATOM 12 CB SER A 2 4.191 16.957 9.544 1.00 0.00 C ATOM 13 OG SER A 2 5.523 16.643 9.177 1.00 0.00 O ATOM 0 H SER A 2 2.161 18.206 10.183 1.00 0.00 H new ATOM 0 HA SER A 2 4.424 17.353 11.644 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.652 16.041 9.787 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.676 17.415 8.700 1.00 0.00 H new ATOM 0 HG SER A 2 5.516 16.033 8.410 1.00 0.00 H new ATOM 19 N SER A 3 6.055 19.199 11.531 1.00 0.00 N ATOM 20 CA SER A 3 7.078 20.236 11.469 1.00 0.00 C ATOM 21 C SER A 3 8.366 19.693 10.857 1.00 0.00 C ATOM 22 O SER A 3 9.255 19.226 11.568 1.00 0.00 O ATOM 23 CB SER A 3 7.359 20.790 12.868 1.00 0.00 C ATOM 24 OG SER A 3 6.179 21.307 13.457 1.00 0.00 O ATOM 0 H SER A 3 6.077 18.635 12.381 1.00 0.00 H new ATOM 0 HA SER A 3 6.706 21.041 10.835 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.769 20.002 13.499 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.113 21.575 12.807 1.00 0.00 H new ATOM 0 HG SER A 3 6.384 21.653 14.351 1.00 0.00 H new ATOM 30 N GLY A 4 8.458 19.758 9.532 1.00 0.00 N ATOM 31 CA GLY A 4 9.639 19.269 8.846 1.00 0.00 C ATOM 32 C GLY A 4 9.313 18.647 7.503 1.00 0.00 C ATOM 33 O GLY A 4 9.170 17.429 7.394 1.00 0.00 O ATOM 0 H GLY A 4 7.736 20.141 8.922 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.339 20.092 8.701 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.140 18.531 9.473 1.00 0.00 H new ATOM 37 N SER A 5 9.194 19.484 6.477 1.00 0.00 N ATOM 38 CA SER A 5 8.878 19.009 5.135 1.00 0.00 C ATOM 39 C SER A 5 9.517 17.648 4.876 1.00 0.00 C ATOM 40 O SER A 5 8.886 16.750 4.318 1.00 0.00 O ATOM 41 CB SER A 5 9.355 20.018 4.089 1.00 0.00 C ATOM 42 OG SER A 5 9.281 19.472 2.783 1.00 0.00 O ATOM 0 H SER A 5 9.312 20.495 6.550 1.00 0.00 H new ATOM 0 HA SER A 5 7.796 18.902 5.059 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.745 20.920 4.145 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.382 20.313 4.306 1.00 0.00 H new ATOM 0 HG SER A 5 9.590 20.137 2.133 1.00 0.00 H new ATOM 48 N SER A 6 10.773 17.504 5.285 1.00 0.00 N ATOM 49 CA SER A 6 11.501 16.255 5.093 1.00 0.00 C ATOM 50 C SER A 6 10.753 15.088 5.731 1.00 0.00 C ATOM 51 O SER A 6 10.194 15.214 6.819 1.00 0.00 O ATOM 52 CB SER A 6 12.906 16.362 5.690 1.00 0.00 C ATOM 53 OG SER A 6 13.665 17.359 5.029 1.00 0.00 O ATOM 0 H SER A 6 11.308 18.237 5.751 1.00 0.00 H new ATOM 0 HA SER A 6 11.582 16.071 4.022 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.837 16.597 6.752 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.413 15.401 5.609 1.00 0.00 H new ATOM 0 HG SER A 6 14.558 17.410 5.429 1.00 0.00 H new ATOM 59 N GLY A 7 10.748 13.950 5.043 1.00 0.00 N ATOM 60 CA GLY A 7 10.066 12.776 5.556 1.00 0.00 C ATOM 61 C GLY A 7 10.630 11.486 4.994 1.00 0.00 C ATOM 62 O GLY A 7 11.353 11.497 3.998 1.00 0.00 O ATOM 0 H GLY A 7 11.204 13.820 4.140 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.144 12.760 6.643 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.005 12.841 5.314 1.00 0.00 H new ATOM 66 N THR A 8 10.300 10.369 5.636 1.00 0.00 N ATOM 67 CA THR A 8 10.781 9.065 5.196 1.00 0.00 C ATOM 68 C THR A 8 9.621 8.110 4.938 1.00 0.00 C ATOM 69 O THR A 8 8.455 8.486 5.064 1.00 0.00 O ATOM 70 CB THR A 8 11.728 8.436 6.235 1.00 0.00 C ATOM 71 OG1 THR A 8 11.246 8.694 7.558 1.00 0.00 O ATOM 72 CG2 THR A 8 13.138 8.989 6.086 1.00 0.00 C ATOM 0 H THR A 8 9.702 10.342 6.462 1.00 0.00 H new ATOM 0 HA THR A 8 11.329 9.226 4.267 1.00 0.00 H new ATOM 0 HB THR A 8 11.756 7.360 6.064 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.002 8.900 8.147 1.00 0.00 H new ATOM 0 HG21 THR A 8 13.789 8.530 6.830 1.00 0.00 H new ATOM 0 HG22 THR A 8 13.513 8.764 5.088 1.00 0.00 H new ATOM 0 HG23 THR A 8 13.123 10.069 6.233 1.00 0.00 H new ATOM 80 N ILE A 9 9.948 6.873 4.578 1.00 0.00 N ATOM 81 CA ILE A 9 8.932 5.864 4.305 1.00 0.00 C ATOM 82 C ILE A 9 8.970 4.750 5.346 1.00 0.00 C ATOM 83 O ILE A 9 7.934 4.339 5.869 1.00 0.00 O ATOM 84 CB ILE A 9 9.113 5.248 2.905 1.00 0.00 C ATOM 85 CG1 ILE A 9 9.135 6.347 1.840 1.00 0.00 C ATOM 86 CG2 ILE A 9 8.002 4.249 2.619 1.00 0.00 C ATOM 87 CD1 ILE A 9 7.794 7.014 1.631 1.00 0.00 C ATOM 0 H ILE A 9 10.908 6.546 4.469 1.00 0.00 H new ATOM 0 HA ILE A 9 7.967 6.368 4.350 1.00 0.00 H new ATOM 0 HB ILE A 9 10.066 4.720 2.876 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.867 7.103 2.125 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.470 5.919 0.895 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.143 3.822 1.626 1.00 0.00 H new ATOM 0 HG22 ILE A 9 8.028 3.453 3.363 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.038 4.755 2.662 1.00 0.00 H new ATOM 0 HD11 ILE A 9 7.885 7.782 0.863 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.063 6.270 1.315 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.466 7.472 2.564 1.00 0.00 H new ATOM 99 N SER A 10 10.172 4.267 5.645 1.00 0.00 N ATOM 100 CA SER A 10 10.345 3.200 6.623 1.00 0.00 C ATOM 101 C SER A 10 9.671 3.558 7.944 1.00 0.00 C ATOM 102 O SER A 10 9.243 2.680 8.692 1.00 0.00 O ATOM 103 CB SER A 10 11.833 2.927 6.854 1.00 0.00 C ATOM 104 OG SER A 10 12.555 4.137 7.010 1.00 0.00 O ATOM 0 H SER A 10 11.040 4.598 5.224 1.00 0.00 H new ATOM 0 HA SER A 10 9.875 2.300 6.228 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.959 2.308 7.742 1.00 0.00 H new ATOM 0 HB3 SER A 10 12.238 2.364 6.013 1.00 0.00 H new ATOM 0 HG SER A 10 13.503 3.936 7.158 1.00 0.00 H new ATOM 110 N GLN A 11 9.582 4.855 8.223 1.00 0.00 N ATOM 111 CA GLN A 11 8.961 5.330 9.453 1.00 0.00 C ATOM 112 C GLN A 11 7.452 5.107 9.423 1.00 0.00 C ATOM 113 O GLN A 11 6.823 4.909 10.463 1.00 0.00 O ATOM 114 CB GLN A 11 9.265 6.814 9.663 1.00 0.00 C ATOM 115 CG GLN A 11 10.710 7.091 10.045 1.00 0.00 C ATOM 116 CD GLN A 11 10.888 8.439 10.716 1.00 0.00 C ATOM 117 OE1 GLN A 11 9.923 9.176 10.921 1.00 0.00 O ATOM 118 NE2 GLN A 11 12.127 8.768 11.063 1.00 0.00 N ATOM 0 H GLN A 11 9.932 5.595 7.614 1.00 0.00 H new ATOM 0 HA GLN A 11 9.378 4.760 10.284 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.029 7.358 8.748 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.611 7.204 10.443 1.00 0.00 H new ATOM 0 HG2 GLN A 11 11.061 6.307 10.715 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.333 7.049 9.151 1.00 0.00 H new ATOM 0 HE21 GLN A 11 12.897 8.126 10.874 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.309 9.662 11.519 1.00 0.00 H new ATOM 127 N ARG A 12 6.878 5.142 8.225 1.00 0.00 N ATOM 128 CA ARG A 12 5.443 4.945 8.060 1.00 0.00 C ATOM 129 C ARG A 12 5.062 3.488 8.303 1.00 0.00 C ATOM 130 O ARG A 12 5.851 2.569 8.081 1.00 0.00 O ATOM 131 CB ARG A 12 5.006 5.370 6.657 1.00 0.00 C ATOM 132 CG ARG A 12 5.158 6.860 6.397 1.00 0.00 C ATOM 133 CD ARG A 12 3.927 7.632 6.847 1.00 0.00 C ATOM 134 NE ARG A 12 4.030 8.066 8.237 1.00 0.00 N ATOM 135 CZ ARG A 12 3.308 9.053 8.755 1.00 0.00 C ATOM 136 NH1 ARG A 12 2.433 9.704 8.001 1.00 0.00 N ATOM 137 NH2 ARG A 12 3.459 9.390 10.029 1.00 0.00 N ATOM 0 H ARG A 12 7.384 5.305 7.355 1.00 0.00 H new ATOM 0 HA ARG A 12 4.930 5.564 8.796 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.592 4.820 5.921 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.963 5.089 6.510 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.036 7.235 6.923 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.327 7.030 5.334 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.790 8.502 6.205 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.043 7.006 6.728 1.00 0.00 H new ATOM 0 HE ARG A 12 4.693 7.584 8.844 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.313 9.447 7.021 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.879 10.462 8.401 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.130 8.891 10.612 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.904 10.148 10.425 1.00 0.00 H new ATOM 151 N PRO A 13 3.824 3.269 8.770 1.00 0.00 N ATOM 152 CA PRO A 13 3.310 1.925 9.053 1.00 0.00 C ATOM 153 C PRO A 13 3.080 1.113 7.783 1.00 0.00 C ATOM 154 O PRO A 13 2.513 1.611 6.810 1.00 0.00 O ATOM 155 CB PRO A 13 1.981 2.196 9.763 1.00 0.00 C ATOM 156 CG PRO A 13 1.561 3.541 9.280 1.00 0.00 C ATOM 157 CD PRO A 13 2.830 4.317 9.057 1.00 0.00 C ATOM 0 HA PRO A 13 4.012 1.336 9.643 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.238 1.437 9.516 1.00 0.00 H new ATOM 0 HB3 PRO A 13 2.101 2.184 10.846 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.985 3.462 8.358 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.924 4.037 10.012 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.733 5.017 8.227 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.104 4.901 9.936 1.00 0.00 H new ATOM 165 N TYR A 14 3.523 -0.139 7.799 1.00 0.00 N ATOM 166 CA TYR A 14 3.367 -1.020 6.648 1.00 0.00 C ATOM 167 C TYR A 14 2.036 -0.768 5.946 1.00 0.00 C ATOM 168 O TYR A 14 2.001 -0.367 4.783 1.00 0.00 O ATOM 169 CB TYR A 14 3.458 -2.483 7.083 1.00 0.00 C ATOM 170 CG TYR A 14 3.888 -3.419 5.975 1.00 0.00 C ATOM 171 CD1 TYR A 14 4.980 -3.117 5.170 1.00 0.00 C ATOM 172 CD2 TYR A 14 3.202 -4.602 5.733 1.00 0.00 C ATOM 173 CE1 TYR A 14 5.376 -3.968 4.156 1.00 0.00 C ATOM 174 CE2 TYR A 14 3.592 -5.460 4.723 1.00 0.00 C ATOM 175 CZ TYR A 14 4.679 -5.138 3.937 1.00 0.00 C ATOM 176 OH TYR A 14 5.070 -5.989 2.928 1.00 0.00 O ATOM 0 H TYR A 14 3.993 -0.567 8.597 1.00 0.00 H new ATOM 0 HA TYR A 14 4.173 -0.806 5.947 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.163 -2.564 7.910 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.486 -2.802 7.460 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.528 -2.202 5.340 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.349 -4.856 6.345 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.226 -3.719 3.539 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.049 -6.377 4.550 1.00 0.00 H new ATOM 0 HH TYR A 14 5.148 -6.900 3.280 1.00 0.00 H new ATOM 186 N ARG A 15 0.942 -1.007 6.663 1.00 0.00 N ATOM 187 CA ARG A 15 -0.392 -0.807 6.110 1.00 0.00 C ATOM 188 C ARG A 15 -0.405 0.362 5.130 1.00 0.00 C ATOM 189 O ARG A 15 -0.505 0.169 3.918 1.00 0.00 O ATOM 190 CB ARG A 15 -1.400 -0.556 7.233 1.00 0.00 C ATOM 191 CG ARG A 15 -2.661 0.156 6.771 1.00 0.00 C ATOM 192 CD ARG A 15 -3.791 -0.004 7.776 1.00 0.00 C ATOM 193 NE ARG A 15 -4.102 -1.408 8.031 1.00 0.00 N ATOM 194 CZ ARG A 15 -5.140 -1.811 8.755 1.00 0.00 C ATOM 195 NH1 ARG A 15 -5.963 -0.922 9.293 1.00 0.00 N ATOM 196 NH2 ARG A 15 -5.357 -3.107 8.942 1.00 0.00 N ATOM 0 H ARG A 15 0.954 -1.339 7.627 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.675 -1.712 5.572 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.675 -1.510 7.683 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.922 0.038 8.013 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.449 1.215 6.625 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.972 -0.243 5.805 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.515 0.482 8.712 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.681 0.503 7.404 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.488 -2.118 7.631 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.800 0.075 9.151 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.759 -1.235 9.848 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.726 -3.794 8.530 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -6.154 -3.416 9.498 1.00 0.00 H new ATOM 210 N ASP A 16 -0.303 1.575 5.662 1.00 0.00 N ATOM 211 CA ASP A 16 -0.302 2.776 4.835 1.00 0.00 C ATOM 212 C ASP A 16 0.535 2.569 3.577 1.00 0.00 C ATOM 213 O ASP A 16 0.057 2.771 2.461 1.00 0.00 O ATOM 214 CB ASP A 16 0.234 3.968 5.629 1.00 0.00 C ATOM 215 CG ASP A 16 -0.372 5.283 5.179 1.00 0.00 C ATOM 216 OD1 ASP A 16 -1.393 5.251 4.460 1.00 0.00 O ATOM 217 OD2 ASP A 16 0.175 6.344 5.546 1.00 0.00 O ATOM 0 H ASP A 16 -0.220 1.753 6.663 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.330 2.982 4.536 1.00 0.00 H new ATOM 0 HB2 ASP A 16 0.025 3.819 6.688 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.318 4.015 5.521 1.00 0.00 H new ATOM 222 N ARG A 17 1.787 2.166 3.766 1.00 0.00 N ATOM 223 CA ARG A 17 2.692 1.933 2.647 1.00 0.00 C ATOM 224 C ARG A 17 2.061 0.996 1.622 1.00 0.00 C ATOM 225 O ARG A 17 2.224 1.177 0.415 1.00 0.00 O ATOM 226 CB ARG A 17 4.014 1.345 3.145 1.00 0.00 C ATOM 227 CG ARG A 17 4.770 2.263 4.093 1.00 0.00 C ATOM 228 CD ARG A 17 5.795 1.495 4.912 1.00 0.00 C ATOM 229 NE ARG A 17 7.078 1.388 4.221 1.00 0.00 N ATOM 230 CZ ARG A 17 8.090 0.649 4.662 1.00 0.00 C ATOM 231 NH1 ARG A 17 7.969 -0.045 5.785 1.00 0.00 N ATOM 232 NH2 ARG A 17 9.226 0.602 3.978 1.00 0.00 N ATOM 0 H ARG A 17 2.198 1.994 4.684 1.00 0.00 H new ATOM 0 HA ARG A 17 2.887 2.891 2.166 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.814 0.400 3.650 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.648 1.120 2.287 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.271 3.045 3.522 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.065 2.758 4.761 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.940 1.993 5.871 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.414 0.496 5.126 1.00 0.00 H new ATOM 0 HE ARG A 17 7.203 1.909 3.353 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.097 -0.013 6.313 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.748 -0.611 6.121 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.323 1.134 3.113 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.003 0.034 4.317 1.00 0.00 H new ATOM 246 N VAL A 18 1.339 -0.008 2.112 1.00 0.00 N ATOM 247 CA VAL A 18 0.682 -0.974 1.239 1.00 0.00 C ATOM 248 C VAL A 18 -0.453 -0.324 0.456 1.00 0.00 C ATOM 249 O VAL A 18 -0.413 -0.258 -0.773 1.00 0.00 O ATOM 250 CB VAL A 18 0.123 -2.164 2.041 1.00 0.00 C ATOM 251 CG1 VAL A 18 -0.848 -2.970 1.191 1.00 0.00 C ATOM 252 CG2 VAL A 18 1.255 -3.043 2.550 1.00 0.00 C ATOM 0 H VAL A 18 1.195 -0.173 3.108 1.00 0.00 H new ATOM 0 HA VAL A 18 1.438 -1.337 0.542 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.420 -1.776 2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.233 -3.807 1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.676 -2.332 0.881 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.332 -3.349 0.309 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.841 -3.879 3.114 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.828 -3.424 1.705 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.908 -2.457 3.196 1.00 0.00 H new ATOM 262 N ILE A 19 -1.462 0.154 1.175 1.00 0.00 N ATOM 263 CA ILE A 19 -2.608 0.801 0.547 1.00 0.00 C ATOM 264 C ILE A 19 -2.161 1.873 -0.441 1.00 0.00 C ATOM 265 O ILE A 19 -2.707 1.989 -1.538 1.00 0.00 O ATOM 266 CB ILE A 19 -3.538 1.439 1.595 1.00 0.00 C ATOM 267 CG1 ILE A 19 -2.781 2.490 2.409 1.00 0.00 C ATOM 268 CG2 ILE A 19 -4.119 0.371 2.509 1.00 0.00 C ATOM 269 CD1 ILE A 19 -3.634 3.178 3.451 1.00 0.00 C ATOM 0 H ILE A 19 -1.510 0.106 2.193 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.155 0.024 0.013 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.360 1.932 1.076 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.933 2.014 2.902 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.375 3.240 1.730 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.774 0.838 3.244 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.690 -0.344 1.916 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.310 -0.148 3.022 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.031 3.910 3.989 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.468 3.683 2.963 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.019 2.438 4.153 1.00 0.00 H new ATOM 281 N HIS A 20 -1.162 2.656 -0.044 1.00 0.00 N ATOM 282 CA HIS A 20 -0.639 3.719 -0.895 1.00 0.00 C ATOM 283 C HIS A 20 -0.156 3.158 -2.229 1.00 0.00 C ATOM 284 O HIS A 20 -0.096 3.873 -3.230 1.00 0.00 O ATOM 285 CB HIS A 20 0.505 4.449 -0.190 1.00 0.00 C ATOM 286 CG HIS A 20 0.051 5.599 0.655 1.00 0.00 C ATOM 287 ND1 HIS A 20 0.104 5.587 2.033 1.00 0.00 N ATOM 288 CD2 HIS A 20 -0.465 6.802 0.310 1.00 0.00 C ATOM 289 CE1 HIS A 20 -0.362 6.733 2.498 1.00 0.00 C ATOM 290 NE2 HIS A 20 -0.713 7.488 1.473 1.00 0.00 N ATOM 0 H HIS A 20 -0.699 2.574 0.861 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.445 4.426 -1.089 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.046 3.740 0.436 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.208 4.814 -0.939 1.00 0.00 H new ATOM 0 HD1 HIS A 20 0.449 4.815 2.604 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.648 7.156 -0.694 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.442 7.006 3.540 1.00 0.00 H new ATOM 298 N LEU A 21 0.190 1.875 -2.235 1.00 0.00 N ATOM 299 CA LEU A 21 0.669 1.218 -3.446 1.00 0.00 C ATOM 300 C LEU A 21 -0.490 0.616 -4.235 1.00 0.00 C ATOM 301 O LEU A 21 -0.543 0.724 -5.461 1.00 0.00 O ATOM 302 CB LEU A 21 1.681 0.127 -3.091 1.00 0.00 C ATOM 303 CG LEU A 21 3.055 0.611 -2.628 1.00 0.00 C ATOM 304 CD1 LEU A 21 3.927 -0.568 -2.224 1.00 0.00 C ATOM 305 CD2 LEU A 21 3.730 1.426 -3.721 1.00 0.00 C ATOM 0 H LEU A 21 0.148 1.270 -1.415 1.00 0.00 H new ATOM 0 HA LEU A 21 1.156 1.969 -4.069 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.253 -0.495 -2.305 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.818 -0.511 -3.964 1.00 0.00 H new ATOM 0 HG LEU A 21 2.919 1.252 -1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.901 -0.205 -1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.450 -1.111 -1.408 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.056 -1.234 -3.077 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.707 1.762 -3.373 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.854 0.809 -4.611 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.113 2.292 -3.963 1.00 0.00 H new ATOM 317 N LEU A 22 -1.417 -0.015 -3.524 1.00 0.00 N ATOM 318 CA LEU A 22 -2.578 -0.632 -4.156 1.00 0.00 C ATOM 319 C LEU A 22 -3.494 0.426 -4.763 1.00 0.00 C ATOM 320 O LEU A 22 -4.117 0.201 -5.800 1.00 0.00 O ATOM 321 CB LEU A 22 -3.352 -1.471 -3.138 1.00 0.00 C ATOM 322 CG LEU A 22 -2.682 -2.771 -2.692 1.00 0.00 C ATOM 323 CD1 LEU A 22 -3.362 -3.323 -1.448 1.00 0.00 C ATOM 324 CD2 LEU A 22 -2.708 -3.798 -3.815 1.00 0.00 C ATOM 0 H LEU A 22 -1.388 -0.113 -2.509 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.223 -1.281 -4.957 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.534 -0.858 -2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.326 -1.715 -3.563 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.642 -2.555 -2.448 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.872 -4.248 -1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.291 -2.594 -0.641 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.411 -3.523 -1.665 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.227 -4.717 -3.479 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.741 -4.009 -4.091 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.175 -3.404 -4.680 1.00 0.00 H new ATOM 336 N ALA A 23 -3.570 1.580 -4.109 1.00 0.00 N ATOM 337 CA ALA A 23 -4.407 2.674 -4.586 1.00 0.00 C ATOM 338 C ALA A 23 -4.230 2.887 -6.086 1.00 0.00 C ATOM 339 O ALA A 23 -5.159 2.675 -6.867 1.00 0.00 O ATOM 340 CB ALA A 23 -4.085 3.954 -3.828 1.00 0.00 C ATOM 0 H ALA A 23 -3.062 1.782 -3.248 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.448 2.408 -4.403 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.717 4.763 -4.194 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.269 3.803 -2.764 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.038 4.214 -3.982 1.00 0.00 H new ATOM 346 N LEU A 24 -3.034 3.307 -6.482 1.00 0.00 N ATOM 347 CA LEU A 24 -2.736 3.549 -7.889 1.00 0.00 C ATOM 348 C LEU A 24 -3.327 2.451 -8.768 1.00 0.00 C ATOM 349 O LEU A 24 -4.025 2.729 -9.743 1.00 0.00 O ATOM 350 CB LEU A 24 -1.223 3.631 -8.104 1.00 0.00 C ATOM 351 CG LEU A 24 -0.516 4.817 -7.447 1.00 0.00 C ATOM 352 CD1 LEU A 24 0.993 4.659 -7.545 1.00 0.00 C ATOM 353 CD2 LEU A 24 -0.960 6.124 -8.088 1.00 0.00 C ATOM 0 H LEU A 24 -2.255 3.487 -5.849 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.189 4.499 -8.172 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.772 2.712 -7.729 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.030 3.667 -9.176 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.791 4.841 -6.392 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.480 5.512 -7.072 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.296 3.742 -7.040 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.286 4.609 -8.594 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.447 6.957 -7.608 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.715 6.110 -9.150 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.037 6.242 -7.966 1.00 0.00 H new ATOM 365 N LYS A 25 -3.044 1.202 -8.415 1.00 0.00 N ATOM 366 CA LYS A 25 -3.549 0.060 -9.168 1.00 0.00 C ATOM 367 C LYS A 25 -3.475 -1.216 -8.337 1.00 0.00 C ATOM 368 O LYS A 25 -2.854 -1.241 -7.275 1.00 0.00 O ATOM 369 CB LYS A 25 -2.754 -0.115 -10.463 1.00 0.00 C ATOM 370 CG LYS A 25 -1.441 -0.856 -10.276 1.00 0.00 C ATOM 371 CD LYS A 25 -0.811 -1.220 -11.609 1.00 0.00 C ATOM 372 CE LYS A 25 0.336 -2.204 -11.434 1.00 0.00 C ATOM 373 NZ LYS A 25 1.222 -2.243 -12.631 1.00 0.00 N ATOM 0 H LYS A 25 -2.467 0.955 -7.611 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.594 0.252 -9.413 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.366 -0.655 -11.185 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.550 0.867 -10.889 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.751 -0.236 -9.704 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.613 -1.762 -9.695 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.567 -1.654 -12.263 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.446 -0.317 -12.098 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.922 -1.927 -10.558 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.065 -3.200 -11.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.991 -2.925 -12.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.669 -2.532 -13.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.626 -1.299 -12.795 1.00 0.00 H new ATOM 387 N ALA A 26 -4.111 -2.275 -8.828 1.00 0.00 N ATOM 388 CA ALA A 26 -4.113 -3.556 -8.132 1.00 0.00 C ATOM 389 C ALA A 26 -2.730 -4.198 -8.160 1.00 0.00 C ATOM 390 O ALA A 26 -2.085 -4.260 -9.207 1.00 0.00 O ATOM 391 CB ALA A 26 -5.144 -4.490 -8.748 1.00 0.00 C ATOM 0 H ALA A 26 -4.631 -2.271 -9.705 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.380 -3.375 -7.091 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.134 -5.443 -8.218 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.134 -4.041 -8.670 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.903 -4.656 -9.798 1.00 0.00 H new ATOM 397 N TYR A 27 -2.281 -4.675 -7.004 1.00 0.00 N ATOM 398 CA TYR A 27 -0.973 -5.311 -6.896 1.00 0.00 C ATOM 399 C TYR A 27 -1.102 -6.736 -6.367 1.00 0.00 C ATOM 400 O TYR A 27 -2.068 -7.072 -5.682 1.00 0.00 O ATOM 401 CB TYR A 27 -0.061 -4.494 -5.980 1.00 0.00 C ATOM 402 CG TYR A 27 0.775 -3.470 -6.714 1.00 0.00 C ATOM 403 CD1 TYR A 27 0.222 -2.266 -7.133 1.00 0.00 C ATOM 404 CD2 TYR A 27 2.117 -3.705 -6.987 1.00 0.00 C ATOM 405 CE1 TYR A 27 0.982 -1.327 -7.805 1.00 0.00 C ATOM 406 CE2 TYR A 27 2.884 -2.772 -7.656 1.00 0.00 C ATOM 407 CZ TYR A 27 2.312 -1.585 -8.064 1.00 0.00 C ATOM 408 OH TYR A 27 3.072 -0.652 -8.731 1.00 0.00 O ATOM 0 H TYR A 27 -2.803 -4.633 -6.129 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.533 -5.352 -7.892 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.671 -3.985 -5.234 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.601 -5.172 -5.441 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.819 -2.060 -6.930 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.568 -4.634 -6.670 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.537 -0.397 -8.125 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.926 -2.970 -7.859 1.00 0.00 H new ATOM 0 HH TYR A 27 3.987 -0.987 -8.832 1.00 0.00 H new ATOM 418 N LYS A 28 -0.120 -7.570 -6.689 1.00 0.00 N ATOM 419 CA LYS A 28 -0.119 -8.959 -6.245 1.00 0.00 C ATOM 420 C LYS A 28 0.752 -9.134 -5.006 1.00 0.00 C ATOM 421 O LYS A 28 1.769 -8.458 -4.848 1.00 0.00 O ATOM 422 CB LYS A 28 0.381 -9.874 -7.366 1.00 0.00 C ATOM 423 CG LYS A 28 -0.463 -9.807 -8.627 1.00 0.00 C ATOM 424 CD LYS A 28 0.043 -8.738 -9.581 1.00 0.00 C ATOM 425 CE LYS A 28 -1.048 -8.283 -10.538 1.00 0.00 C ATOM 426 NZ LYS A 28 -0.582 -7.184 -11.428 1.00 0.00 N ATOM 0 H LYS A 28 0.686 -7.308 -7.256 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.143 -9.233 -5.989 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.408 -9.606 -7.612 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.398 -10.902 -7.004 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.451 -10.776 -9.126 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.499 -9.598 -8.362 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.408 -7.884 -9.011 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.888 -9.127 -10.149 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.375 -9.128 -11.145 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.914 -7.946 -9.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.310 -6.442 -11.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.299 -6.782 -11.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.410 -7.560 -12.382 1.00 0.00 H new ATOM 440 N LYS A 29 0.349 -10.047 -4.128 1.00 0.00 N ATOM 441 CA LYS A 29 1.093 -10.313 -2.903 1.00 0.00 C ATOM 442 C LYS A 29 2.593 -10.161 -3.135 1.00 0.00 C ATOM 443 O LYS A 29 3.279 -9.407 -2.444 1.00 0.00 O ATOM 444 CB LYS A 29 0.786 -11.722 -2.392 1.00 0.00 C ATOM 445 CG LYS A 29 1.837 -12.267 -1.440 1.00 0.00 C ATOM 446 CD LYS A 29 1.497 -11.950 0.007 1.00 0.00 C ATOM 447 CE LYS A 29 1.938 -10.545 0.388 1.00 0.00 C ATOM 448 NZ LYS A 29 3.382 -10.496 0.750 1.00 0.00 N ATOM 0 H LYS A 29 -0.490 -10.616 -4.243 1.00 0.00 H new ATOM 0 HA LYS A 29 0.783 -9.585 -2.153 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.180 -11.714 -1.887 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.695 -12.396 -3.244 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.920 -13.346 -1.567 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.809 -11.841 -1.688 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.422 -12.049 0.159 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.980 -12.675 0.663 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.749 -9.867 -0.444 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.341 -10.192 1.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.480 -10.480 1.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.864 -11.336 0.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.812 -9.638 0.348 1.00 0.00 H new ATOM 462 N PRO A 30 3.117 -10.892 -4.130 1.00 0.00 N ATOM 463 CA PRO A 30 4.541 -10.853 -4.477 1.00 0.00 C ATOM 464 C PRO A 30 4.948 -9.525 -5.106 1.00 0.00 C ATOM 465 O PRO A 30 5.921 -8.901 -4.684 1.00 0.00 O ATOM 466 CB PRO A 30 4.691 -11.992 -5.488 1.00 0.00 C ATOM 467 CG PRO A 30 3.336 -12.148 -6.087 1.00 0.00 C ATOM 468 CD PRO A 30 2.359 -11.812 -4.994 1.00 0.00 C ATOM 0 HA PRO A 30 5.178 -10.958 -3.599 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.434 -11.751 -6.248 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.018 -12.912 -5.003 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.209 -11.484 -6.942 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.183 -13.165 -6.448 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.459 -11.342 -5.390 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.041 -12.702 -4.452 1.00 0.00 H new ATOM 476 N GLU A 31 4.197 -9.099 -6.117 1.00 0.00 N ATOM 477 CA GLU A 31 4.482 -7.845 -6.803 1.00 0.00 C ATOM 478 C GLU A 31 4.540 -6.684 -5.814 1.00 0.00 C ATOM 479 O GLU A 31 5.582 -6.050 -5.644 1.00 0.00 O ATOM 480 CB GLU A 31 3.420 -7.569 -7.869 1.00 0.00 C ATOM 481 CG GLU A 31 3.828 -6.503 -8.873 1.00 0.00 C ATOM 482 CD GLU A 31 3.085 -6.627 -10.189 1.00 0.00 C ATOM 483 OE1 GLU A 31 1.957 -6.098 -10.285 1.00 0.00 O ATOM 484 OE2 GLU A 31 3.630 -7.252 -11.123 1.00 0.00 O ATOM 0 H GLU A 31 3.388 -9.604 -6.478 1.00 0.00 H new ATOM 0 HA GLU A 31 5.455 -7.937 -7.285 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.203 -8.495 -8.402 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.497 -7.260 -7.379 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.642 -5.517 -8.447 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.900 -6.574 -9.057 1.00 0.00 H new ATOM 491 N LEU A 32 3.413 -6.411 -5.166 1.00 0.00 N ATOM 492 CA LEU A 32 3.334 -5.326 -4.194 1.00 0.00 C ATOM 493 C LEU A 32 4.611 -5.245 -3.363 1.00 0.00 C ATOM 494 O LEU A 32 5.133 -4.158 -3.112 1.00 0.00 O ATOM 495 CB LEU A 32 2.126 -5.524 -3.276 1.00 0.00 C ATOM 496 CG LEU A 32 1.482 -4.250 -2.729 1.00 0.00 C ATOM 497 CD1 LEU A 32 0.363 -4.592 -1.758 1.00 0.00 C ATOM 498 CD2 LEU A 32 2.526 -3.371 -2.056 1.00 0.00 C ATOM 0 H LEU A 32 2.542 -6.925 -5.296 1.00 0.00 H new ATOM 0 HA LEU A 32 3.218 -4.390 -4.740 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.368 -6.084 -3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.433 -6.143 -2.433 1.00 0.00 H new ATOM 0 HG LEU A 32 1.053 -3.695 -3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.083 -3.673 -1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.398 -5.180 -2.272 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.767 -5.169 -0.926 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.050 -2.469 -1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.985 -3.917 -1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.292 -3.097 -2.781 1.00 0.00 H new ATOM 510 N LEU A 33 5.109 -6.401 -2.940 1.00 0.00 N ATOM 511 CA LEU A 33 6.327 -6.462 -2.139 1.00 0.00 C ATOM 512 C LEU A 33 7.507 -5.861 -2.895 1.00 0.00 C ATOM 513 O LEU A 33 8.190 -4.969 -2.392 1.00 0.00 O ATOM 514 CB LEU A 33 6.637 -7.910 -1.755 1.00 0.00 C ATOM 515 CG LEU A 33 5.977 -8.421 -0.474 1.00 0.00 C ATOM 516 CD1 LEU A 33 5.992 -9.941 -0.436 1.00 0.00 C ATOM 517 CD2 LEU A 33 6.676 -7.848 0.751 1.00 0.00 C ATOM 0 H LEU A 33 4.689 -7.309 -3.138 1.00 0.00 H new ATOM 0 HA LEU A 33 6.165 -5.879 -1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.334 -8.556 -2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.717 -8.014 -1.650 1.00 0.00 H new ATOM 0 HG LEU A 33 4.939 -8.088 -0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.518 -10.287 0.483 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.446 -10.332 -1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.022 -10.296 -0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.193 -8.222 1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.723 -8.151 0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.613 -6.760 0.730 1.00 0.00 H new ATOM 529 N ALA A 34 7.740 -6.354 -4.107 1.00 0.00 N ATOM 530 CA ALA A 34 8.834 -5.862 -4.935 1.00 0.00 C ATOM 531 C ALA A 34 8.919 -4.341 -4.886 1.00 0.00 C ATOM 532 O ALA A 34 9.970 -3.759 -5.158 1.00 0.00 O ATOM 533 CB ALA A 34 8.665 -6.337 -6.371 1.00 0.00 C ATOM 0 H ALA A 34 7.185 -7.094 -4.537 1.00 0.00 H new ATOM 0 HA ALA A 34 9.766 -6.265 -4.538 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.489 -5.962 -6.978 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.663 -7.427 -6.396 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.722 -5.963 -6.769 1.00 0.00 H new ATOM 539 N ARG A 35 7.807 -3.702 -4.538 1.00 0.00 N ATOM 540 CA ARG A 35 7.756 -2.247 -4.456 1.00 0.00 C ATOM 541 C ARG A 35 8.170 -1.766 -3.068 1.00 0.00 C ATOM 542 O ARG A 35 8.772 -0.702 -2.922 1.00 0.00 O ATOM 543 CB ARG A 35 6.348 -1.746 -4.782 1.00 0.00 C ATOM 544 CG ARG A 35 6.108 -1.527 -6.267 1.00 0.00 C ATOM 545 CD ARG A 35 6.841 -0.296 -6.774 1.00 0.00 C ATOM 546 NE ARG A 35 6.806 -0.200 -8.231 1.00 0.00 N ATOM 547 CZ ARG A 35 7.122 0.902 -8.903 1.00 0.00 C ATOM 548 NH1 ARG A 35 7.495 1.995 -8.252 1.00 0.00 N ATOM 549 NH2 ARG A 35 7.066 0.911 -10.229 1.00 0.00 N ATOM 0 H ARG A 35 6.930 -4.169 -4.308 1.00 0.00 H new ATOM 0 HA ARG A 35 8.457 -1.842 -5.186 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.620 -2.465 -4.407 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.173 -0.810 -4.252 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.439 -2.404 -6.823 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.039 -1.417 -6.452 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.392 0.598 -6.341 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.877 -0.327 -6.437 1.00 0.00 H new ATOM 0 HE ARG A 35 6.524 -1.024 -8.762 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.540 1.991 -7.233 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.737 2.840 -8.770 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.780 0.072 -10.733 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.309 1.757 -10.744 1.00 0.00 H new ATOM 563 N LEU A 36 7.843 -2.557 -2.052 1.00 0.00 N ATOM 564 CA LEU A 36 8.180 -2.213 -0.675 1.00 0.00 C ATOM 565 C LEU A 36 9.553 -2.759 -0.298 1.00 0.00 C ATOM 566 O LEU A 36 10.422 -2.017 0.160 1.00 0.00 O ATOM 567 CB LEU A 36 7.120 -2.760 0.283 1.00 0.00 C ATOM 568 CG LEU A 36 5.715 -2.174 0.135 1.00 0.00 C ATOM 569 CD1 LEU A 36 4.669 -3.173 0.604 1.00 0.00 C ATOM 570 CD2 LEU A 36 5.597 -0.870 0.910 1.00 0.00 C ATOM 0 H LEU A 36 7.345 -3.441 -2.156 1.00 0.00 H new ATOM 0 HA LEU A 36 8.207 -1.126 -0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.058 -3.840 0.146 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.458 -2.587 1.305 1.00 0.00 H new ATOM 0 HG LEU A 36 5.538 -1.963 -0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.675 -2.739 0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.739 -4.081 0.005 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.842 -3.416 1.652 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.591 -0.467 0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.794 -1.055 1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.322 -0.152 0.527 1.00 0.00 H new ATOM 582 N GLN A 37 9.742 -4.060 -0.495 1.00 0.00 N ATOM 583 CA GLN A 37 11.010 -4.705 -0.177 1.00 0.00 C ATOM 584 C GLN A 37 12.183 -3.782 -0.491 1.00 0.00 C ATOM 585 O GLN A 37 13.080 -3.597 0.332 1.00 0.00 O ATOM 586 CB GLN A 37 11.151 -6.013 -0.957 1.00 0.00 C ATOM 587 CG GLN A 37 10.314 -7.150 -0.394 1.00 0.00 C ATOM 588 CD GLN A 37 11.072 -7.989 0.616 1.00 0.00 C ATOM 589 OE1 GLN A 37 10.814 -9.184 0.766 1.00 0.00 O ATOM 590 NE2 GLN A 37 12.014 -7.367 1.315 1.00 0.00 N ATOM 0 H GLN A 37 9.033 -4.688 -0.873 1.00 0.00 H new ATOM 0 HA GLN A 37 11.020 -4.925 0.891 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.864 -5.841 -1.994 1.00 0.00 H new ATOM 0 HB3 GLN A 37 12.199 -6.312 -0.962 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.421 -6.740 0.078 1.00 0.00 H new ATOM 0 HG3 GLN A 37 9.978 -7.788 -1.211 1.00 0.00 H new ATOM 0 HE21 GLN A 37 12.194 -6.375 1.158 1.00 0.00 H new ATOM 0 HE22 GLN A 37 12.557 -7.881 2.009 1.00 0.00 H new ATOM 599 N LYS A 38 12.172 -3.206 -1.689 1.00 0.00 N ATOM 600 CA LYS A 38 13.235 -2.302 -2.113 1.00 0.00 C ATOM 601 C LYS A 38 13.530 -1.265 -1.034 1.00 0.00 C ATOM 602 O LYS A 38 14.675 -1.103 -0.612 1.00 0.00 O ATOM 603 CB LYS A 38 12.845 -1.601 -3.416 1.00 0.00 C ATOM 604 CG LYS A 38 11.495 -0.908 -3.355 1.00 0.00 C ATOM 605 CD LYS A 38 11.009 -0.509 -4.738 1.00 0.00 C ATOM 606 CE LYS A 38 11.394 0.924 -5.072 1.00 0.00 C ATOM 607 NZ LYS A 38 10.440 1.545 -6.033 1.00 0.00 N ATOM 0 H LYS A 38 11.439 -3.349 -2.383 1.00 0.00 H new ATOM 0 HA LYS A 38 14.136 -2.893 -2.280 1.00 0.00 H new ATOM 0 HB2 LYS A 38 13.610 -0.866 -3.666 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.831 -2.334 -4.223 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.766 -1.571 -2.889 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.568 -0.022 -2.725 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.432 -1.184 -5.482 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.926 -0.617 -4.789 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.424 1.515 -4.157 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.398 0.941 -5.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.737 2.521 -6.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.430 0.996 -6.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.486 1.552 -5.619 1.00 0.00 H new ATOM 621 N ASP A 39 12.490 -0.567 -0.591 1.00 0.00 N ATOM 622 CA ASP A 39 12.638 0.453 0.441 1.00 0.00 C ATOM 623 C ASP A 39 13.011 -0.178 1.779 1.00 0.00 C ATOM 624 O ASP A 39 13.538 0.491 2.667 1.00 0.00 O ATOM 625 CB ASP A 39 11.343 1.255 0.585 1.00 0.00 C ATOM 626 CG ASP A 39 11.575 2.627 1.186 1.00 0.00 C ATOM 627 OD1 ASP A 39 12.238 3.458 0.530 1.00 0.00 O ATOM 628 OD2 ASP A 39 11.094 2.870 2.312 1.00 0.00 O ATOM 0 H ASP A 39 11.536 -0.689 -0.930 1.00 0.00 H new ATOM 0 HA ASP A 39 13.441 1.125 0.140 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.876 1.365 -0.394 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.644 0.701 1.211 1.00 0.00 H new ATOM 633 N GLY A 40 12.734 -1.471 1.916 1.00 0.00 N ATOM 634 CA GLY A 40 13.046 -2.170 3.148 1.00 0.00 C ATOM 635 C GLY A 40 11.816 -2.761 3.808 1.00 0.00 C ATOM 636 O GLY A 40 11.123 -2.082 4.566 1.00 0.00 O ATOM 0 H GLY A 40 12.299 -2.047 1.195 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.760 -2.966 2.939 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.530 -1.481 3.840 1.00 0.00 H new ATOM 640 N VAL A 41 11.543 -4.029 3.519 1.00 0.00 N ATOM 641 CA VAL A 41 10.387 -4.711 4.088 1.00 0.00 C ATOM 642 C VAL A 41 10.797 -5.610 5.250 1.00 0.00 C ATOM 643 O VAL A 41 11.690 -6.445 5.116 1.00 0.00 O ATOM 644 CB VAL A 41 9.657 -5.559 3.030 1.00 0.00 C ATOM 645 CG1 VAL A 41 8.742 -6.575 3.697 1.00 0.00 C ATOM 646 CG2 VAL A 41 8.874 -4.667 2.080 1.00 0.00 C ATOM 0 H VAL A 41 12.107 -4.605 2.894 1.00 0.00 H new ATOM 0 HA VAL A 41 9.711 -3.937 4.451 1.00 0.00 H new ATOM 0 HB VAL A 41 10.402 -6.103 2.450 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.235 -7.165 2.933 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.333 -7.235 4.332 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.002 -6.054 4.304 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.365 -5.283 1.339 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.138 -4.093 2.643 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.558 -3.984 1.576 1.00 0.00 H new ATOM 656 N ASN A 42 10.137 -5.432 6.390 1.00 0.00 N ATOM 657 CA ASN A 42 10.432 -6.228 7.576 1.00 0.00 C ATOM 658 C ASN A 42 9.931 -7.659 7.410 1.00 0.00 C ATOM 659 O ASN A 42 8.901 -7.897 6.780 1.00 0.00 O ATOM 660 CB ASN A 42 9.794 -5.593 8.813 1.00 0.00 C ATOM 661 CG ASN A 42 10.717 -4.601 9.494 1.00 0.00 C ATOM 662 OD1 ASN A 42 11.556 -4.977 10.313 1.00 0.00 O ATOM 663 ND2 ASN A 42 10.565 -3.325 9.159 1.00 0.00 N ATOM 0 H ASN A 42 9.395 -4.744 6.517 1.00 0.00 H new ATOM 0 HA ASN A 42 11.514 -6.254 7.705 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.872 -5.088 8.525 1.00 0.00 H new ATOM 0 HB3 ASN A 42 9.521 -6.376 9.520 1.00 0.00 H new ATOM 0 HD21 ASN A 42 11.157 -2.612 9.585 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.857 -3.058 8.475 1.00 0.00 H new ATOM 670 N GLN A 43 10.667 -8.608 7.980 1.00 0.00 N ATOM 671 CA GLN A 43 10.298 -10.016 7.894 1.00 0.00 C ATOM 672 C GLN A 43 8.958 -10.269 8.578 1.00 0.00 C ATOM 673 O GLN A 43 8.019 -10.771 7.961 1.00 0.00 O ATOM 674 CB GLN A 43 11.381 -10.889 8.530 1.00 0.00 C ATOM 675 CG GLN A 43 11.439 -12.297 7.960 1.00 0.00 C ATOM 676 CD GLN A 43 12.576 -13.115 8.540 1.00 0.00 C ATOM 677 OE1 GLN A 43 13.691 -12.619 8.705 1.00 0.00 O ATOM 678 NE2 GLN A 43 12.300 -14.375 8.853 1.00 0.00 N ATOM 0 H GLN A 43 11.522 -8.427 8.506 1.00 0.00 H new ATOM 0 HA GLN A 43 10.203 -10.278 6.840 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.350 -10.410 8.392 1.00 0.00 H new ATOM 0 HB3 GLN A 43 11.205 -10.948 9.604 1.00 0.00 H new ATOM 0 HG2 GLN A 43 10.494 -12.804 8.157 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.551 -12.242 6.877 1.00 0.00 H new ATOM 0 HE21 GLN A 43 11.362 -14.745 8.699 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.026 -14.973 9.247 1.00 0.00 H new ATOM 687 N LYS A 44 8.877 -9.919 9.857 1.00 0.00 N ATOM 688 CA LYS A 44 7.653 -10.107 10.626 1.00 0.00 C ATOM 689 C LYS A 44 6.456 -9.499 9.902 1.00 0.00 C ATOM 690 O LYS A 44 5.311 -9.883 10.143 1.00 0.00 O ATOM 691 CB LYS A 44 7.796 -9.477 12.014 1.00 0.00 C ATOM 692 CG LYS A 44 8.091 -7.988 11.978 1.00 0.00 C ATOM 693 CD LYS A 44 8.698 -7.508 13.286 1.00 0.00 C ATOM 694 CE LYS A 44 9.610 -6.310 13.072 1.00 0.00 C ATOM 695 NZ LYS A 44 8.838 -5.069 12.784 1.00 0.00 N ATOM 0 H LYS A 44 9.645 -9.503 10.383 1.00 0.00 H new ATOM 0 HA LYS A 44 7.484 -11.178 10.735 1.00 0.00 H new ATOM 0 HB2 LYS A 44 6.877 -9.643 12.576 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.596 -9.984 12.554 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.775 -7.771 11.157 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.171 -7.439 11.780 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.902 -7.241 13.981 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.263 -8.319 13.745 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.224 -6.158 13.960 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.290 -6.515 12.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.496 -4.276 12.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.271 -5.205 11.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.207 -4.859 13.584 1.00 0.00 H new ATOM 709 N ASP A 45 6.728 -8.551 9.012 1.00 0.00 N ATOM 710 CA ASP A 45 5.674 -7.892 8.250 1.00 0.00 C ATOM 711 C ASP A 45 5.403 -8.632 6.944 1.00 0.00 C ATOM 712 O ASP A 45 4.254 -8.783 6.530 1.00 0.00 O ATOM 713 CB ASP A 45 6.058 -6.440 7.958 1.00 0.00 C ATOM 714 CG ASP A 45 5.593 -5.489 9.042 1.00 0.00 C ATOM 715 OD1 ASP A 45 6.263 -5.415 10.094 1.00 0.00 O ATOM 716 OD2 ASP A 45 4.561 -4.816 8.840 1.00 0.00 O ATOM 0 H ASP A 45 7.670 -8.222 8.800 1.00 0.00 H new ATOM 0 HA ASP A 45 4.764 -7.906 8.850 1.00 0.00 H new ATOM 0 HB2 ASP A 45 7.141 -6.367 7.855 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.626 -6.138 7.004 1.00 0.00 H new ATOM 721 N LYS A 46 6.470 -9.092 6.299 1.00 0.00 N ATOM 722 CA LYS A 46 6.349 -9.817 5.040 1.00 0.00 C ATOM 723 C LYS A 46 5.141 -10.748 5.062 1.00 0.00 C ATOM 724 O LYS A 46 4.383 -10.820 4.096 1.00 0.00 O ATOM 725 CB LYS A 46 7.621 -10.623 4.767 1.00 0.00 C ATOM 726 CG LYS A 46 8.782 -9.777 4.273 1.00 0.00 C ATOM 727 CD LYS A 46 9.769 -10.602 3.464 1.00 0.00 C ATOM 728 CE LYS A 46 10.818 -11.248 4.355 1.00 0.00 C ATOM 729 NZ LYS A 46 11.984 -11.742 3.571 1.00 0.00 N ATOM 0 H LYS A 46 7.428 -8.975 6.628 1.00 0.00 H new ATOM 0 HA LYS A 46 6.210 -9.087 4.242 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.919 -11.136 5.681 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.402 -11.392 4.027 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.403 -8.959 3.661 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.294 -9.327 5.124 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.233 -11.374 2.913 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.258 -9.966 2.727 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.159 -10.526 5.097 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.370 -12.078 4.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.677 -12.175 4.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.663 -12.450 2.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.428 -10.946 3.070 1.00 0.00 H new ATOM 743 N ASN A 47 4.967 -11.459 6.172 1.00 0.00 N ATOM 744 CA ASN A 47 3.850 -12.384 6.320 1.00 0.00 C ATOM 745 C ASN A 47 2.552 -11.631 6.597 1.00 0.00 C ATOM 746 O ASN A 47 1.495 -11.983 6.074 1.00 0.00 O ATOM 747 CB ASN A 47 4.128 -13.376 7.451 1.00 0.00 C ATOM 748 CG ASN A 47 2.984 -14.349 7.662 1.00 0.00 C ATOM 749 OD1 ASN A 47 2.387 -14.840 6.704 1.00 0.00 O ATOM 750 ND2 ASN A 47 2.673 -14.632 8.922 1.00 0.00 N ATOM 0 H ASN A 47 5.586 -11.412 6.982 1.00 0.00 H new ATOM 0 HA ASN A 47 3.739 -12.932 5.384 1.00 0.00 H new ATOM 0 HB2 ASN A 47 5.038 -13.933 7.227 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.310 -12.827 8.375 1.00 0.00 H new ATOM 0 HD21 ASN A 47 1.912 -15.280 9.126 1.00 0.00 H new ATOM 0 HD22 ASN A 47 3.195 -14.201 9.685 1.00 0.00 H new ATOM 757 N SER A 48 2.642 -10.593 7.422 1.00 0.00 N ATOM 758 CA SER A 48 1.475 -9.792 7.771 1.00 0.00 C ATOM 759 C SER A 48 0.839 -9.185 6.524 1.00 0.00 C ATOM 760 O SER A 48 -0.383 -9.054 6.437 1.00 0.00 O ATOM 761 CB SER A 48 1.866 -8.682 8.749 1.00 0.00 C ATOM 762 OG SER A 48 2.225 -9.217 10.011 1.00 0.00 O ATOM 0 H SER A 48 3.510 -10.287 7.861 1.00 0.00 H new ATOM 0 HA SER A 48 0.746 -10.447 8.248 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.701 -8.112 8.342 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.034 -7.988 8.868 1.00 0.00 H new ATOM 0 HG SER A 48 3.182 -9.430 10.016 1.00 0.00 H new ATOM 768 N LEU A 49 1.676 -8.817 5.561 1.00 0.00 N ATOM 769 CA LEU A 49 1.197 -8.224 4.317 1.00 0.00 C ATOM 770 C LEU A 49 -0.052 -8.942 3.816 1.00 0.00 C ATOM 771 O LEU A 49 -1.111 -8.335 3.666 1.00 0.00 O ATOM 772 CB LEU A 49 2.292 -8.276 3.250 1.00 0.00 C ATOM 773 CG LEU A 49 2.240 -7.184 2.181 1.00 0.00 C ATOM 774 CD1 LEU A 49 3.104 -7.564 0.988 1.00 0.00 C ATOM 775 CD2 LEU A 49 0.804 -6.934 1.743 1.00 0.00 C ATOM 0 H LEU A 49 2.689 -8.919 5.617 1.00 0.00 H new ATOM 0 HA LEU A 49 0.940 -7.183 4.515 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.260 -8.223 3.748 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.242 -9.245 2.754 1.00 0.00 H new ATOM 0 HG LEU A 49 2.633 -6.263 2.611 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.055 -6.775 0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.137 -7.692 1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.740 -8.497 0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.786 -6.154 0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.384 -7.852 1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.212 -6.617 2.601 1.00 0.00 H new ATOM 787 N GLY A 50 0.080 -10.240 3.561 1.00 0.00 N ATOM 788 CA GLY A 50 -1.046 -11.021 3.082 1.00 0.00 C ATOM 789 C GLY A 50 -2.326 -10.712 3.833 1.00 0.00 C ATOM 790 O GLY A 50 -3.397 -10.621 3.235 1.00 0.00 O ATOM 0 H GLY A 50 0.947 -10.765 3.678 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.195 -10.825 2.020 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.817 -12.082 3.181 1.00 0.00 H new ATOM 794 N ALA A 51 -2.215 -10.554 5.148 1.00 0.00 N ATOM 795 CA ALA A 51 -3.373 -10.254 5.982 1.00 0.00 C ATOM 796 C ALA A 51 -3.900 -8.851 5.705 1.00 0.00 C ATOM 797 O ALA A 51 -5.103 -8.653 5.531 1.00 0.00 O ATOM 798 CB ALA A 51 -3.017 -10.405 7.453 1.00 0.00 C ATOM 0 H ALA A 51 -1.335 -10.629 5.659 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.161 -10.965 5.735 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.891 -10.178 8.064 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.695 -11.428 7.646 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.210 -9.717 7.704 1.00 0.00 H new ATOM 804 N ILE A 52 -2.993 -7.880 5.666 1.00 0.00 N ATOM 805 CA ILE A 52 -3.368 -6.495 5.409 1.00 0.00 C ATOM 806 C ILE A 52 -4.091 -6.360 4.073 1.00 0.00 C ATOM 807 O ILE A 52 -5.131 -5.707 3.981 1.00 0.00 O ATOM 808 CB ILE A 52 -2.138 -5.569 5.410 1.00 0.00 C ATOM 809 CG1 ILE A 52 -1.431 -5.625 6.766 1.00 0.00 C ATOM 810 CG2 ILE A 52 -2.548 -4.142 5.080 1.00 0.00 C ATOM 811 CD1 ILE A 52 -0.003 -5.129 6.725 1.00 0.00 C ATOM 0 H ILE A 52 -1.994 -8.027 5.809 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.039 -6.195 6.214 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.443 -5.913 4.644 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.993 -5.029 7.485 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.440 -6.653 7.129 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.667 -3.500 5.085 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.011 -4.115 4.094 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.260 -3.787 5.825 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.435 -5.198 7.721 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.575 -5.740 6.032 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.012 -4.091 6.393 1.00 0.00 H new ATOM 823 N LEU A 53 -3.535 -6.982 3.040 1.00 0.00 N ATOM 824 CA LEU A 53 -4.127 -6.933 1.708 1.00 0.00 C ATOM 825 C LEU A 53 -5.623 -7.222 1.766 1.00 0.00 C ATOM 826 O LEU A 53 -6.406 -6.649 1.009 1.00 0.00 O ATOM 827 CB LEU A 53 -3.437 -7.939 0.784 1.00 0.00 C ATOM 828 CG LEU A 53 -2.067 -7.526 0.246 1.00 0.00 C ATOM 829 CD1 LEU A 53 -1.273 -8.748 -0.188 1.00 0.00 C ATOM 830 CD2 LEU A 53 -2.220 -6.549 -0.911 1.00 0.00 C ATOM 0 H LEU A 53 -2.675 -7.527 3.099 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.985 -5.928 1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.325 -8.880 1.323 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.094 -8.134 -0.063 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.520 -7.028 1.046 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.301 -8.434 -0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.132 -9.412 0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.816 -9.275 -0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.235 -6.266 -1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.787 -7.021 -1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.748 -5.659 -0.568 1.00 0.00 H new ATOM 842 N GLN A 54 -6.014 -8.113 2.672 1.00 0.00 N ATOM 843 CA GLN A 54 -7.417 -8.477 2.830 1.00 0.00 C ATOM 844 C GLN A 54 -8.115 -7.540 3.810 1.00 0.00 C ATOM 845 O GLN A 54 -9.343 -7.460 3.839 1.00 0.00 O ATOM 846 CB GLN A 54 -7.540 -9.923 3.313 1.00 0.00 C ATOM 847 CG GLN A 54 -8.910 -10.261 3.878 1.00 0.00 C ATOM 848 CD GLN A 54 -9.247 -11.734 3.750 1.00 0.00 C ATOM 849 OE1 GLN A 54 -9.321 -12.271 2.645 1.00 0.00 O ATOM 850 NE2 GLN A 54 -9.452 -12.396 4.883 1.00 0.00 N ATOM 0 H GLN A 54 -5.379 -8.596 3.307 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.902 -8.384 1.858 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.323 -10.595 2.482 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.785 -10.107 4.077 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.946 -9.974 4.929 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.668 -9.673 3.360 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.380 -11.911 5.777 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.681 -13.390 4.859 1.00 0.00 H new ATOM 859 N GLN A 55 -7.324 -6.833 4.611 1.00 0.00 N ATOM 860 CA GLN A 55 -7.867 -5.902 5.593 1.00 0.00 C ATOM 861 C GLN A 55 -8.070 -4.520 4.980 1.00 0.00 C ATOM 862 O GLN A 55 -8.877 -3.727 5.464 1.00 0.00 O ATOM 863 CB GLN A 55 -6.937 -5.805 6.804 1.00 0.00 C ATOM 864 CG GLN A 55 -6.921 -7.060 7.661 1.00 0.00 C ATOM 865 CD GLN A 55 -6.562 -6.775 9.106 1.00 0.00 C ATOM 866 OE1 GLN A 55 -7.436 -6.530 9.938 1.00 0.00 O ATOM 867 NE2 GLN A 55 -5.271 -6.807 9.413 1.00 0.00 N ATOM 0 H GLN A 55 -6.306 -6.887 4.599 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.836 -6.281 5.918 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.924 -5.598 6.458 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.243 -4.959 7.419 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -7.901 -7.535 7.621 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.205 -7.770 7.246 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.580 -7.014 8.692 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.970 -6.624 10.370 1.00 0.00 H new ATOM 876 N VAL A 56 -7.331 -4.238 3.911 1.00 0.00 N ATOM 877 CA VAL A 56 -7.429 -2.953 3.231 1.00 0.00 C ATOM 878 C VAL A 56 -7.744 -3.137 1.751 1.00 0.00 C ATOM 879 O VAL A 56 -8.287 -2.241 1.105 1.00 0.00 O ATOM 880 CB VAL A 56 -6.127 -2.142 3.371 1.00 0.00 C ATOM 881 CG1 VAL A 56 -5.807 -1.894 4.837 1.00 0.00 C ATOM 882 CG2 VAL A 56 -4.977 -2.859 2.680 1.00 0.00 C ATOM 0 H VAL A 56 -6.658 -4.883 3.498 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.242 -2.405 3.707 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.267 -1.176 2.886 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.884 -1.320 4.916 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.622 -1.336 5.298 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.685 -2.848 5.349 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.065 -2.272 2.789 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.834 -3.839 3.134 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.207 -2.980 1.621 1.00 0.00 H new ATOM 892 N ALA A 57 -7.400 -4.305 1.219 1.00 0.00 N ATOM 893 CA ALA A 57 -7.649 -4.608 -0.184 1.00 0.00 C ATOM 894 C ALA A 57 -8.469 -5.885 -0.334 1.00 0.00 C ATOM 895 O ALA A 57 -8.791 -6.546 0.653 1.00 0.00 O ATOM 896 CB ALA A 57 -6.333 -4.733 -0.938 1.00 0.00 C ATOM 0 H ALA A 57 -6.948 -5.057 1.739 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.224 -3.786 -0.611 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.534 -4.960 -1.985 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.783 -3.794 -0.869 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.738 -5.535 -0.501 1.00 0.00 H new ATOM 902 N ASN A 58 -8.804 -6.226 -1.574 1.00 0.00 N ATOM 903 CA ASN A 58 -9.588 -7.424 -1.852 1.00 0.00 C ATOM 904 C ASN A 58 -8.922 -8.272 -2.931 1.00 0.00 C ATOM 905 O ASN A 58 -8.555 -7.768 -3.993 1.00 0.00 O ATOM 906 CB ASN A 58 -11.004 -7.042 -2.288 1.00 0.00 C ATOM 907 CG ASN A 58 -11.850 -6.542 -1.134 1.00 0.00 C ATOM 908 OD1 ASN A 58 -12.052 -7.248 -0.146 1.00 0.00 O ATOM 909 ND2 ASN A 58 -12.351 -5.318 -1.253 1.00 0.00 N ATOM 0 H ASN A 58 -8.545 -5.690 -2.402 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.644 -8.012 -0.936 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.949 -6.270 -3.055 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.488 -7.908 -2.741 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.929 -4.929 -0.508 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.158 -4.767 -2.090 1.00 0.00 H new ATOM 916 N LEU A 59 -8.771 -9.562 -2.653 1.00 0.00 N ATOM 917 CA LEU A 59 -8.150 -10.481 -3.600 1.00 0.00 C ATOM 918 C LEU A 59 -9.134 -10.882 -4.694 1.00 0.00 C ATOM 919 O LEU A 59 -10.270 -11.260 -4.413 1.00 0.00 O ATOM 920 CB LEU A 59 -7.642 -11.728 -2.873 1.00 0.00 C ATOM 921 CG LEU A 59 -6.451 -12.440 -3.514 1.00 0.00 C ATOM 922 CD1 LEU A 59 -6.143 -13.734 -2.776 1.00 0.00 C ATOM 923 CD2 LEU A 59 -6.723 -12.715 -4.986 1.00 0.00 C ATOM 0 H LEU A 59 -9.070 -9.995 -1.779 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.307 -9.970 -4.065 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.367 -11.445 -1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -8.465 -12.438 -2.794 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.580 -11.788 -3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.292 -14.227 -3.246 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.904 -13.512 -1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.011 -14.391 -2.816 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.864 -13.222 -5.426 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.606 -13.347 -5.081 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.894 -11.773 -5.507 1.00 0.00 H new ATOM 935 N ASN A 60 -8.688 -10.799 -5.943 1.00 0.00 N ATOM 936 CA ASN A 60 -9.528 -11.155 -7.081 1.00 0.00 C ATOM 937 C ASN A 60 -9.049 -12.452 -7.726 1.00 0.00 C ATOM 938 O ASN A 60 -8.024 -12.476 -8.407 1.00 0.00 O ATOM 939 CB ASN A 60 -9.528 -10.027 -8.114 1.00 0.00 C ATOM 940 CG ASN A 60 -10.817 -9.973 -8.911 1.00 0.00 C ATOM 941 OD1 ASN A 60 -11.608 -10.917 -8.898 1.00 0.00 O ATOM 942 ND2 ASN A 60 -11.034 -8.866 -9.611 1.00 0.00 N ATOM 0 H ASN A 60 -7.749 -10.488 -6.193 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.545 -11.305 -6.718 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.377 -9.074 -7.607 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.688 -10.162 -8.795 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.884 -8.773 -10.167 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.351 -8.109 -9.592 1.00 0.00 H new ATOM 949 N SER A 61 -9.799 -13.527 -7.508 1.00 0.00 N ATOM 950 CA SER A 61 -9.450 -14.829 -8.066 1.00 0.00 C ATOM 951 C SER A 61 -9.143 -14.716 -9.556 1.00 0.00 C ATOM 952 O SER A 61 -8.302 -15.443 -10.086 1.00 0.00 O ATOM 953 CB SER A 61 -10.589 -15.825 -7.842 1.00 0.00 C ATOM 954 OG SER A 61 -10.101 -17.155 -7.795 1.00 0.00 O ATOM 0 H SER A 61 -10.652 -13.523 -6.949 1.00 0.00 H new ATOM 0 HA SER A 61 -8.557 -15.189 -7.555 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.104 -15.590 -6.911 1.00 0.00 H new ATOM 0 HB3 SER A 61 -11.322 -15.731 -8.644 1.00 0.00 H new ATOM 0 HG SER A 61 -10.848 -17.773 -7.649 1.00 0.00 H new ATOM 960 N LYS A 62 -9.831 -13.799 -10.228 1.00 0.00 N ATOM 961 CA LYS A 62 -9.633 -13.588 -11.657 1.00 0.00 C ATOM 962 C LYS A 62 -8.148 -13.582 -12.005 1.00 0.00 C ATOM 963 O LYS A 62 -7.655 -14.488 -12.677 1.00 0.00 O ATOM 964 CB LYS A 62 -10.276 -12.269 -12.092 1.00 0.00 C ATOM 965 CG LYS A 62 -10.725 -12.262 -13.543 1.00 0.00 C ATOM 966 CD LYS A 62 -11.679 -11.113 -13.825 1.00 0.00 C ATOM 967 CE LYS A 62 -11.982 -10.992 -15.311 1.00 0.00 C ATOM 968 NZ LYS A 62 -13.225 -10.212 -15.562 1.00 0.00 N ATOM 0 H LYS A 62 -10.531 -13.190 -9.805 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.109 -14.410 -12.191 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.135 -12.065 -11.453 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.564 -11.458 -11.937 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.854 -12.182 -14.194 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.213 -13.208 -13.779 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.607 -11.266 -13.275 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.244 -10.181 -13.464 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.144 -10.511 -15.815 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.085 -11.988 -15.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.397 -10.152 -16.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.030 -10.684 -15.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.118 -9.254 -15.173 1.00 0.00 H new ATOM 982 N ASP A 63 -7.441 -12.556 -11.544 1.00 0.00 N ATOM 983 CA ASP A 63 -6.012 -12.434 -11.805 1.00 0.00 C ATOM 984 C ASP A 63 -5.218 -12.452 -10.502 1.00 0.00 C ATOM 985 O ASP A 63 -4.148 -11.850 -10.406 1.00 0.00 O ATOM 986 CB ASP A 63 -5.721 -11.145 -12.576 1.00 0.00 C ATOM 987 CG ASP A 63 -6.334 -11.149 -13.962 1.00 0.00 C ATOM 988 OD1 ASP A 63 -5.706 -11.704 -14.888 1.00 0.00 O ATOM 989 OD2 ASP A 63 -7.443 -10.598 -14.121 1.00 0.00 O ATOM 0 H ASP A 63 -7.834 -11.797 -10.988 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.704 -13.287 -12.409 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -6.106 -10.294 -12.014 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.643 -11.010 -12.659 1.00 0.00 H new ATOM 994 N LEU A 64 -5.749 -13.146 -9.502 1.00 0.00 N ATOM 995 CA LEU A 64 -5.091 -13.242 -8.203 1.00 0.00 C ATOM 996 C LEU A 64 -4.440 -11.916 -7.823 1.00 0.00 C ATOM 997 O LEU A 64 -3.403 -11.890 -7.160 1.00 0.00 O ATOM 998 CB LEU A 64 -4.039 -14.352 -8.224 1.00 0.00 C ATOM 999 CG LEU A 64 -4.567 -15.780 -8.083 1.00 0.00 C ATOM 1000 CD1 LEU A 64 -3.579 -16.775 -8.672 1.00 0.00 C ATOM 1001 CD2 LEU A 64 -4.846 -16.104 -6.623 1.00 0.00 C ATOM 0 H LEU A 64 -6.633 -13.651 -9.565 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.848 -13.481 -7.456 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.484 -14.282 -9.160 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.329 -14.167 -7.418 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.503 -15.857 -8.637 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.972 -17.786 -8.563 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.429 -16.556 -9.729 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.627 -16.697 -8.147 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.221 -17.124 -6.542 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.926 -16.009 -6.047 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.592 -15.411 -6.233 1.00 0.00 H new ATOM 1013 N SER A 65 -5.057 -10.817 -8.246 1.00 0.00 N ATOM 1014 CA SER A 65 -4.537 -9.487 -7.951 1.00 0.00 C ATOM 1015 C SER A 65 -5.336 -8.827 -6.831 1.00 0.00 C ATOM 1016 O SER A 65 -6.561 -8.938 -6.779 1.00 0.00 O ATOM 1017 CB SER A 65 -4.576 -8.612 -9.205 1.00 0.00 C ATOM 1018 OG SER A 65 -5.909 -8.396 -9.635 1.00 0.00 O ATOM 0 H SER A 65 -5.917 -10.822 -8.794 1.00 0.00 H new ATOM 0 HA SER A 65 -3.503 -9.593 -7.622 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.097 -7.655 -8.999 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.006 -9.088 -10.003 1.00 0.00 H new ATOM 0 HG SER A 65 -5.907 -7.833 -10.437 1.00 0.00 H new ATOM 1024 N TYR A 66 -4.633 -8.141 -5.937 1.00 0.00 N ATOM 1025 CA TYR A 66 -5.275 -7.465 -4.816 1.00 0.00 C ATOM 1026 C TYR A 66 -5.657 -6.035 -5.189 1.00 0.00 C ATOM 1027 O TYR A 66 -4.827 -5.262 -5.667 1.00 0.00 O ATOM 1028 CB TYR A 66 -4.348 -7.456 -3.600 1.00 0.00 C ATOM 1029 CG TYR A 66 -4.211 -8.807 -2.934 1.00 0.00 C ATOM 1030 CD1 TYR A 66 -5.149 -9.244 -2.006 1.00 0.00 C ATOM 1031 CD2 TYR A 66 -3.144 -9.645 -3.232 1.00 0.00 C ATOM 1032 CE1 TYR A 66 -5.027 -10.477 -1.395 1.00 0.00 C ATOM 1033 CE2 TYR A 66 -3.015 -10.880 -2.627 1.00 0.00 C ATOM 1034 CZ TYR A 66 -3.959 -11.291 -1.708 1.00 0.00 C ATOM 1035 OH TYR A 66 -3.835 -12.521 -1.103 1.00 0.00 O ATOM 0 H TYR A 66 -3.619 -8.038 -5.967 1.00 0.00 H new ATOM 0 HA TYR A 66 -6.184 -8.012 -4.567 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.361 -7.110 -3.908 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.724 -6.738 -2.872 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -5.987 -8.609 -1.759 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.402 -9.325 -3.949 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.764 -10.802 -0.676 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.180 -11.520 -2.872 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.029 -12.969 -1.435 1.00 0.00 H new ATOM 1045 N THR A 67 -6.921 -5.690 -4.965 1.00 0.00 N ATOM 1046 CA THR A 67 -7.416 -4.355 -5.277 1.00 0.00 C ATOM 1047 C THR A 67 -7.746 -3.580 -4.006 1.00 0.00 C ATOM 1048 O THR A 67 -8.512 -4.049 -3.163 1.00 0.00 O ATOM 1049 CB THR A 67 -8.670 -4.414 -6.169 1.00 0.00 C ATOM 1050 OG1 THR A 67 -9.765 -4.977 -5.439 1.00 0.00 O ATOM 1051 CG2 THR A 67 -8.407 -5.242 -7.418 1.00 0.00 C ATOM 0 H THR A 67 -7.621 -6.317 -4.568 1.00 0.00 H new ATOM 0 HA THR A 67 -6.620 -3.841 -5.816 1.00 0.00 H new ATOM 0 HB THR A 67 -8.921 -3.398 -6.472 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.583 -4.917 -4.478 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.307 -5.269 -8.033 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.593 -4.794 -7.987 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.133 -6.257 -7.131 1.00 0.00 H new ATOM 1059 N LEU A 68 -7.165 -2.393 -3.875 1.00 0.00 N ATOM 1060 CA LEU A 68 -7.399 -1.552 -2.706 1.00 0.00 C ATOM 1061 C LEU A 68 -8.890 -1.303 -2.503 1.00 0.00 C ATOM 1062 O LEU A 68 -9.598 -0.919 -3.434 1.00 0.00 O ATOM 1063 CB LEU A 68 -6.663 -0.219 -2.856 1.00 0.00 C ATOM 1064 CG LEU A 68 -6.197 0.441 -1.558 1.00 0.00 C ATOM 1065 CD1 LEU A 68 -6.113 1.950 -1.727 1.00 0.00 C ATOM 1066 CD2 LEU A 68 -7.132 0.082 -0.412 1.00 0.00 C ATOM 0 H LEU A 68 -6.529 -1.991 -4.563 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.015 -2.075 -1.830 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.792 -0.377 -3.492 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.318 0.478 -3.379 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.201 0.067 -1.319 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.780 2.403 -0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.403 2.188 -2.519 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.096 2.342 -1.990 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.785 0.560 0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.140 0.428 -0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.142 -0.999 -0.275 1.00 0.00 H new ATOM 1078 N LYS A 69 -9.360 -1.522 -1.280 1.00 0.00 N ATOM 1079 CA LYS A 69 -10.766 -1.319 -0.953 1.00 0.00 C ATOM 1080 C LYS A 69 -11.229 0.070 -1.382 1.00 0.00 C ATOM 1081 O LYS A 69 -10.476 0.822 -2.000 1.00 0.00 O ATOM 1082 CB LYS A 69 -10.994 -1.502 0.549 1.00 0.00 C ATOM 1083 CG LYS A 69 -11.101 -2.956 0.975 1.00 0.00 C ATOM 1084 CD LYS A 69 -10.966 -3.108 2.481 1.00 0.00 C ATOM 1085 CE LYS A 69 -10.780 -4.564 2.880 1.00 0.00 C ATOM 1086 NZ LYS A 69 -12.083 -5.241 3.131 1.00 0.00 N ATOM 0 H LYS A 69 -8.787 -1.840 -0.498 1.00 0.00 H new ATOM 0 HA LYS A 69 -11.350 -2.062 -1.496 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.174 -1.032 1.092 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -11.907 -0.980 0.836 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -12.060 -3.361 0.652 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.325 -3.539 0.479 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.117 -2.522 2.832 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.854 -2.706 2.969 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.243 -5.091 2.091 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.163 -4.619 3.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.914 -6.231 3.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.585 -4.754 3.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.662 -5.211 2.267 1.00 0.00 H new ATOM 1100 N ASP A 70 -12.471 0.404 -1.049 1.00 0.00 N ATOM 1101 CA ASP A 70 -13.033 1.703 -1.397 1.00 0.00 C ATOM 1102 C ASP A 70 -12.932 2.672 -0.223 1.00 0.00 C ATOM 1103 O ASP A 70 -12.577 3.838 -0.396 1.00 0.00 O ATOM 1104 CB ASP A 70 -14.494 1.553 -1.825 1.00 0.00 C ATOM 1105 CG ASP A 70 -15.326 0.813 -0.796 1.00 0.00 C ATOM 1106 OD1 ASP A 70 -15.278 -0.435 -0.781 1.00 0.00 O ATOM 1107 OD2 ASP A 70 -16.025 1.481 -0.006 1.00 0.00 O ATOM 0 H ASP A 70 -13.108 -0.208 -0.538 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.458 2.108 -2.230 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -14.924 2.541 -1.993 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -14.538 1.020 -2.775 1.00 0.00 H new ATOM 1112 N TYR A 71 -13.246 2.182 0.971 1.00 0.00 N ATOM 1113 CA TYR A 71 -13.193 3.005 2.173 1.00 0.00 C ATOM 1114 C TYR A 71 -11.758 3.410 2.493 1.00 0.00 C ATOM 1115 O TYR A 71 -11.492 4.553 2.867 1.00 0.00 O ATOM 1116 CB TYR A 71 -13.799 2.251 3.359 1.00 0.00 C ATOM 1117 CG TYR A 71 -12.778 1.502 4.185 1.00 0.00 C ATOM 1118 CD1 TYR A 71 -12.334 0.242 3.801 1.00 0.00 C ATOM 1119 CD2 TYR A 71 -12.257 2.053 5.350 1.00 0.00 C ATOM 1120 CE1 TYR A 71 -11.402 -0.447 4.553 1.00 0.00 C ATOM 1121 CE2 TYR A 71 -11.324 1.372 6.107 1.00 0.00 C ATOM 1122 CZ TYR A 71 -10.900 0.123 5.705 1.00 0.00 C ATOM 1123 OH TYR A 71 -9.971 -0.559 6.457 1.00 0.00 O ATOM 0 H TYR A 71 -13.540 1.219 1.132 1.00 0.00 H new ATOM 0 HA TYR A 71 -13.774 3.909 1.990 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -14.323 2.960 4.000 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -14.543 1.545 2.989 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -12.724 -0.206 2.899 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.588 3.031 5.669 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.068 -1.426 4.241 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -10.929 1.815 7.009 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.719 -0.019 7.235 1.00 0.00 H new ATOM 1133 N VAL A 72 -10.835 2.465 2.343 1.00 0.00 N ATOM 1134 CA VAL A 72 -9.426 2.723 2.614 1.00 0.00 C ATOM 1135 C VAL A 72 -8.938 3.956 1.861 1.00 0.00 C ATOM 1136 O VAL A 72 -8.045 4.666 2.324 1.00 0.00 O ATOM 1137 CB VAL A 72 -8.550 1.518 2.224 1.00 0.00 C ATOM 1138 CG1 VAL A 72 -7.092 1.785 2.564 1.00 0.00 C ATOM 1139 CG2 VAL A 72 -9.045 0.255 2.914 1.00 0.00 C ATOM 0 H VAL A 72 -11.038 1.514 2.035 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.337 2.896 3.686 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.625 1.370 1.147 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.489 0.922 2.281 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.746 2.664 2.020 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.994 1.960 3.635 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.415 -0.587 2.627 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.001 0.390 3.995 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.074 0.056 2.615 1.00 0.00 H new ATOM 1149 N PHE A 73 -9.531 4.206 0.698 1.00 0.00 N ATOM 1150 CA PHE A 73 -9.157 5.353 -0.120 1.00 0.00 C ATOM 1151 C PHE A 73 -9.170 6.637 0.706 1.00 0.00 C ATOM 1152 O PHE A 73 -8.430 7.579 0.422 1.00 0.00 O ATOM 1153 CB PHE A 73 -10.108 5.490 -1.310 1.00 0.00 C ATOM 1154 CG PHE A 73 -9.871 4.470 -2.387 1.00 0.00 C ATOM 1155 CD1 PHE A 73 -8.587 4.199 -2.833 1.00 0.00 C ATOM 1156 CD2 PHE A 73 -10.931 3.783 -2.955 1.00 0.00 C ATOM 1157 CE1 PHE A 73 -8.364 3.262 -3.823 1.00 0.00 C ATOM 1158 CE2 PHE A 73 -10.715 2.843 -3.946 1.00 0.00 C ATOM 1159 CZ PHE A 73 -9.430 2.583 -4.381 1.00 0.00 C ATOM 0 H PHE A 73 -10.273 3.629 0.301 1.00 0.00 H new ATOM 0 HA PHE A 73 -8.145 5.189 -0.490 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -11.135 5.401 -0.956 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -10.003 6.488 -1.736 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.750 4.727 -2.401 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.938 3.984 -2.620 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.358 3.060 -4.160 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -11.550 2.313 -4.379 1.00 0.00 H new ATOM 0 HZ PHE A 73 -9.259 1.850 -5.156 1.00 0.00 H new ATOM 1169 N LYS A 74 -10.017 6.667 1.728 1.00 0.00 N ATOM 1170 CA LYS A 74 -10.128 7.833 2.597 1.00 0.00 C ATOM 1171 C LYS A 74 -8.988 7.867 3.610 1.00 0.00 C ATOM 1172 O LYS A 74 -8.566 8.938 4.046 1.00 0.00 O ATOM 1173 CB LYS A 74 -11.473 7.824 3.327 1.00 0.00 C ATOM 1174 CG LYS A 74 -11.464 7.010 4.609 1.00 0.00 C ATOM 1175 CD LYS A 74 -12.868 6.816 5.157 1.00 0.00 C ATOM 1176 CE LYS A 74 -13.385 8.082 5.823 1.00 0.00 C ATOM 1177 NZ LYS A 74 -14.384 7.781 6.886 1.00 0.00 N ATOM 0 H LYS A 74 -10.638 5.896 1.976 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.065 8.726 1.975 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.757 8.850 3.560 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.237 7.426 2.659 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.009 6.038 4.420 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.847 7.511 5.355 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.539 6.529 4.348 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.869 5.998 5.877 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.549 8.632 6.255 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.838 8.729 5.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.712 8.669 7.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -15.193 7.278 6.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.945 7.185 7.616 1.00 0.00 H new ATOM 1191 N GLU A 75 -8.493 6.690 3.977 1.00 0.00 N ATOM 1192 CA GLU A 75 -7.401 6.587 4.938 1.00 0.00 C ATOM 1193 C GLU A 75 -6.079 7.015 4.307 1.00 0.00 C ATOM 1194 O GLU A 75 -5.151 7.428 5.003 1.00 0.00 O ATOM 1195 CB GLU A 75 -7.288 5.155 5.464 1.00 0.00 C ATOM 1196 CG GLU A 75 -8.524 4.681 6.210 1.00 0.00 C ATOM 1197 CD GLU A 75 -8.206 3.637 7.263 1.00 0.00 C ATOM 1198 OE1 GLU A 75 -7.935 2.478 6.886 1.00 0.00 O ATOM 1199 OE2 GLU A 75 -8.228 3.979 8.464 1.00 0.00 O ATOM 0 H GLU A 75 -8.830 5.795 3.624 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.620 7.256 5.771 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.100 4.483 4.627 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.426 5.088 6.127 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.007 5.535 6.685 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.237 4.267 5.497 1.00 0.00 H new ATOM 1206 N LEU A 76 -6.001 6.911 2.985 1.00 0.00 N ATOM 1207 CA LEU A 76 -4.793 7.286 2.258 1.00 0.00 C ATOM 1208 C LEU A 76 -4.320 8.677 2.669 1.00 0.00 C ATOM 1209 O LEU A 76 -4.973 9.355 3.463 1.00 0.00 O ATOM 1210 CB LEU A 76 -5.048 7.247 0.751 1.00 0.00 C ATOM 1211 CG LEU A 76 -5.162 5.856 0.126 1.00 0.00 C ATOM 1212 CD1 LEU A 76 -5.716 5.950 -1.288 1.00 0.00 C ATOM 1213 CD2 LEU A 76 -3.809 5.159 0.125 1.00 0.00 C ATOM 0 H LEU A 76 -6.760 6.570 2.395 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.012 6.568 2.507 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.968 7.793 0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.240 7.783 0.252 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.853 5.264 0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.790 4.951 -1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.705 6.408 -1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.050 6.559 -1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.909 4.171 -0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.096 5.749 -0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.451 5.058 1.150 1.00 0.00 H new ATOM 1225 N GLN A 77 -3.183 9.095 2.123 1.00 0.00 N ATOM 1226 CA GLN A 77 -2.625 10.406 2.432 1.00 0.00 C ATOM 1227 C GLN A 77 -2.224 11.142 1.157 1.00 0.00 C ATOM 1228 O GLN A 77 -1.392 10.661 0.387 1.00 0.00 O ATOM 1229 CB GLN A 77 -1.413 10.263 3.354 1.00 0.00 C ATOM 1230 CG GLN A 77 -1.638 9.301 4.509 1.00 0.00 C ATOM 1231 CD GLN A 77 -2.257 9.974 5.718 1.00 0.00 C ATOM 1232 OE1 GLN A 77 -2.822 11.063 5.614 1.00 0.00 O ATOM 1233 NE2 GLN A 77 -2.153 9.329 6.874 1.00 0.00 N ATOM 0 H GLN A 77 -2.630 8.545 1.465 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.393 10.989 2.940 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.560 9.921 2.768 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.153 11.243 3.754 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -2.286 8.489 4.179 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.686 8.854 4.795 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.676 8.428 6.914 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.550 9.734 7.722 1.00 0.00 H new ATOM 1242 N ARG A 78 -2.821 12.309 0.941 1.00 0.00 N ATOM 1243 CA ARG A 78 -2.528 13.110 -0.242 1.00 0.00 C ATOM 1244 C ARG A 78 -1.081 13.595 -0.225 1.00 0.00 C ATOM 1245 O ARG A 78 -0.493 13.860 -1.273 1.00 0.00 O ATOM 1246 CB ARG A 78 -3.477 14.307 -0.321 1.00 0.00 C ATOM 1247 CG ARG A 78 -4.830 13.972 -0.929 1.00 0.00 C ATOM 1248 CD ARG A 78 -4.787 14.030 -2.448 1.00 0.00 C ATOM 1249 NE ARG A 78 -4.498 15.375 -2.937 1.00 0.00 N ATOM 1250 CZ ARG A 78 -4.711 15.764 -4.189 1.00 0.00 C ATOM 1251 NH1 ARG A 78 -5.214 14.914 -5.074 1.00 0.00 N ATOM 1252 NH2 ARG A 78 -4.422 17.005 -4.558 1.00 0.00 N ATOM 0 H ARG A 78 -3.511 12.721 1.569 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.673 12.482 -1.121 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.628 14.707 0.682 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.008 15.094 -0.911 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.137 12.976 -0.610 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.580 14.671 -0.558 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.028 13.340 -2.816 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.743 13.696 -2.851 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.111 16.053 -2.281 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.438 13.959 -4.794 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.377 15.215 -6.035 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.036 17.662 -3.880 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.586 17.302 -5.520 1.00 0.00 H new ATOM 1266 N ASP A 79 -0.515 13.708 0.972 1.00 0.00 N ATOM 1267 CA ASP A 79 0.863 14.160 1.126 1.00 0.00 C ATOM 1268 C ASP A 79 1.814 12.974 1.250 1.00 0.00 C ATOM 1269 O ASP A 79 2.897 13.091 1.823 1.00 0.00 O ATOM 1270 CB ASP A 79 0.992 15.063 2.353 1.00 0.00 C ATOM 1271 CG ASP A 79 0.512 14.387 3.622 1.00 0.00 C ATOM 1272 OD1 ASP A 79 -0.716 14.355 3.850 1.00 0.00 O ATOM 1273 OD2 ASP A 79 1.363 13.889 4.388 1.00 0.00 O ATOM 0 H ASP A 79 -0.989 13.493 1.849 1.00 0.00 H new ATOM 0 HA ASP A 79 1.134 14.728 0.236 1.00 0.00 H new ATOM 0 HB2 ASP A 79 2.034 15.359 2.474 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.418 15.975 2.191 1.00 0.00 H new ATOM 1278 N TRP A 80 1.401 11.833 0.710 1.00 0.00 N ATOM 1279 CA TRP A 80 2.216 10.624 0.761 1.00 0.00 C ATOM 1280 C TRP A 80 3.525 10.818 0.004 1.00 0.00 C ATOM 1281 O TRP A 80 3.541 11.132 -1.186 1.00 0.00 O ATOM 1282 CB TRP A 80 1.445 9.439 0.177 1.00 0.00 C ATOM 1283 CG TRP A 80 2.175 8.136 0.300 1.00 0.00 C ATOM 1284 CD1 TRP A 80 2.715 7.400 -0.715 1.00 0.00 C ATOM 1285 CD2 TRP A 80 2.443 7.415 1.508 1.00 0.00 C ATOM 1286 NE1 TRP A 80 3.302 6.264 -0.211 1.00 0.00 N ATOM 1287 CE2 TRP A 80 3.150 6.251 1.150 1.00 0.00 C ATOM 1288 CE3 TRP A 80 2.156 7.641 2.857 1.00 0.00 C ATOM 1289 CZ2 TRP A 80 3.572 5.317 2.092 1.00 0.00 C ATOM 1290 CZ3 TRP A 80 2.575 6.713 3.791 1.00 0.00 C ATOM 1291 CH2 TRP A 80 3.277 5.563 3.406 1.00 0.00 C ATOM 0 H TRP A 80 0.507 11.719 0.232 1.00 0.00 H new ATOM 0 HA TRP A 80 2.449 10.417 1.805 1.00 0.00 H new ATOM 0 HB2 TRP A 80 0.482 9.357 0.682 1.00 0.00 H new ATOM 0 HB3 TRP A 80 1.238 9.633 -0.875 1.00 0.00 H new ATOM 0 HD1 TRP A 80 2.685 7.671 -1.760 1.00 0.00 H new ATOM 0 HE1 TRP A 80 3.774 5.547 -0.761 1.00 0.00 H new ATOM 0 HE3 TRP A 80 1.617 8.525 3.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 4.113 4.430 1.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.358 6.877 4.836 1.00 0.00 H new ATOM 0 HH2 TRP A 80 3.591 4.857 4.160 1.00 0.00 H new ATOM 1302 N PRO A 81 4.651 10.626 0.708 1.00 0.00 N ATOM 1303 CA PRO A 81 5.986 10.774 0.122 1.00 0.00 C ATOM 1304 C PRO A 81 6.306 9.667 -0.877 1.00 0.00 C ATOM 1305 O PRO A 81 7.381 9.648 -1.474 1.00 0.00 O ATOM 1306 CB PRO A 81 6.917 10.686 1.333 1.00 0.00 C ATOM 1307 CG PRO A 81 6.153 9.900 2.342 1.00 0.00 C ATOM 1308 CD PRO A 81 4.706 10.250 2.131 1.00 0.00 C ATOM 0 HA PRO A 81 6.083 11.702 -0.441 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.855 10.194 1.076 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.169 11.677 1.711 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.319 8.831 2.211 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.471 10.150 3.354 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.052 9.406 2.349 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.393 11.071 2.776 1.00 0.00 H new ATOM 1316 N GLY A 82 5.364 8.745 -1.054 1.00 0.00 N ATOM 1317 CA GLY A 82 5.565 7.648 -1.982 1.00 0.00 C ATOM 1318 C GLY A 82 5.092 7.979 -3.384 1.00 0.00 C ATOM 1319 O GLY A 82 5.345 7.228 -4.326 1.00 0.00 O ATOM 0 H GLY A 82 4.466 8.739 -0.571 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.624 7.390 -2.011 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.032 6.768 -1.621 1.00 0.00 H new ATOM 1323 N TYR A 83 4.403 9.106 -3.522 1.00 0.00 N ATOM 1324 CA TYR A 83 3.889 9.534 -4.818 1.00 0.00 C ATOM 1325 C TYR A 83 4.755 10.643 -5.408 1.00 0.00 C ATOM 1326 O TYR A 83 4.827 11.745 -4.864 1.00 0.00 O ATOM 1327 CB TYR A 83 2.444 10.016 -4.684 1.00 0.00 C ATOM 1328 CG TYR A 83 1.504 8.967 -4.135 1.00 0.00 C ATOM 1329 CD1 TYR A 83 1.597 7.641 -4.542 1.00 0.00 C ATOM 1330 CD2 TYR A 83 0.522 9.301 -3.211 1.00 0.00 C ATOM 1331 CE1 TYR A 83 0.740 6.679 -4.044 1.00 0.00 C ATOM 1332 CE2 TYR A 83 -0.338 8.345 -2.706 1.00 0.00 C ATOM 1333 CZ TYR A 83 -0.226 7.036 -3.126 1.00 0.00 C ATOM 1334 OH TYR A 83 -1.082 6.081 -2.626 1.00 0.00 O ATOM 0 H TYR A 83 4.187 9.740 -2.753 1.00 0.00 H new ATOM 0 HA TYR A 83 3.918 8.678 -5.492 1.00 0.00 H new ATOM 0 HB2 TYR A 83 2.420 10.890 -4.033 1.00 0.00 H new ATOM 0 HB3 TYR A 83 2.085 10.338 -5.662 1.00 0.00 H new ATOM 0 HD1 TYR A 83 2.352 7.358 -5.260 1.00 0.00 H new ATOM 0 HD2 TYR A 83 0.429 10.325 -2.882 1.00 0.00 H new ATOM 0 HE1 TYR A 83 0.826 5.653 -4.371 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -1.094 8.621 -1.986 1.00 0.00 H new ATOM 0 HH TYR A 83 -1.061 5.289 -3.203 1.00 0.00 H new ATOM 1344 N SER A 84 5.410 10.343 -6.526 1.00 0.00 N ATOM 1345 CA SER A 84 6.273 11.312 -7.189 1.00 0.00 C ATOM 1346 C SER A 84 5.446 12.380 -7.900 1.00 0.00 C ATOM 1347 O SER A 84 4.219 12.385 -7.817 1.00 0.00 O ATOM 1348 CB SER A 84 7.189 10.608 -8.193 1.00 0.00 C ATOM 1349 OG SER A 84 8.173 9.834 -7.529 1.00 0.00 O ATOM 0 H SER A 84 5.359 9.436 -6.991 1.00 0.00 H new ATOM 0 HA SER A 84 6.884 11.797 -6.428 1.00 0.00 H new ATOM 0 HB2 SER A 84 6.595 9.966 -8.844 1.00 0.00 H new ATOM 0 HB3 SER A 84 7.673 11.348 -8.830 1.00 0.00 H new ATOM 0 HG SER A 84 8.744 9.393 -8.192 1.00 0.00 H new ATOM 1355 N GLU A 85 6.130 13.281 -8.598 1.00 0.00 N ATOM 1356 CA GLU A 85 5.459 14.354 -9.323 1.00 0.00 C ATOM 1357 C GLU A 85 4.335 13.801 -10.196 1.00 0.00 C ATOM 1358 O GLU A 85 3.402 14.520 -10.554 1.00 0.00 O ATOM 1359 CB GLU A 85 6.461 15.120 -10.188 1.00 0.00 C ATOM 1360 CG GLU A 85 5.814 15.919 -11.307 1.00 0.00 C ATOM 1361 CD GLU A 85 6.764 16.923 -11.932 1.00 0.00 C ATOM 1362 OE1 GLU A 85 7.081 17.932 -11.269 1.00 0.00 O ATOM 1363 OE2 GLU A 85 7.190 16.698 -13.084 1.00 0.00 O ATOM 0 H GLU A 85 7.147 13.290 -8.677 1.00 0.00 H new ATOM 0 HA GLU A 85 5.026 15.036 -8.591 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.033 15.797 -9.553 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.170 14.413 -10.620 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.456 15.235 -12.077 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.942 16.444 -10.916 1.00 0.00 H new ATOM 1370 N ILE A 86 4.433 12.520 -10.535 1.00 0.00 N ATOM 1371 CA ILE A 86 3.426 11.871 -11.365 1.00 0.00 C ATOM 1372 C ILE A 86 2.410 11.121 -10.510 1.00 0.00 C ATOM 1373 O ILE A 86 1.220 11.436 -10.522 1.00 0.00 O ATOM 1374 CB ILE A 86 4.067 10.888 -12.362 1.00 0.00 C ATOM 1375 CG1 ILE A 86 5.213 11.566 -13.115 1.00 0.00 C ATOM 1376 CG2 ILE A 86 3.022 10.365 -13.336 1.00 0.00 C ATOM 1377 CD1 ILE A 86 6.483 11.687 -12.302 1.00 0.00 C ATOM 0 H ILE A 86 5.199 11.911 -10.248 1.00 0.00 H new ATOM 0 HA ILE A 86 2.918 12.659 -11.921 1.00 0.00 H new ATOM 0 HB ILE A 86 4.473 10.043 -11.806 1.00 0.00 H new ATOM 0 HG12 ILE A 86 5.425 11.001 -14.023 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.894 12.561 -13.426 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.490 9.671 -14.034 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.236 9.849 -12.784 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.590 11.199 -13.888 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.252 12.177 -12.899 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.287 12.278 -11.407 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.826 10.694 -12.013 1.00 0.00 H new ATOM 1389 N ASP A 87 2.888 10.127 -9.768 1.00 0.00 N ATOM 1390 CA ASP A 87 2.022 9.333 -8.905 1.00 0.00 C ATOM 1391 C ASP A 87 0.937 10.202 -8.276 1.00 0.00 C ATOM 1392 O ASP A 87 -0.252 9.903 -8.384 1.00 0.00 O ATOM 1393 CB ASP A 87 2.844 8.651 -7.811 1.00 0.00 C ATOM 1394 CG ASP A 87 3.805 7.619 -8.368 1.00 0.00 C ATOM 1395 OD1 ASP A 87 3.336 6.552 -8.816 1.00 0.00 O ATOM 1396 OD2 ASP A 87 5.027 7.878 -8.354 1.00 0.00 O ATOM 0 H ASP A 87 3.870 9.853 -9.747 1.00 0.00 H new ATOM 0 HA ASP A 87 1.542 8.570 -9.517 1.00 0.00 H new ATOM 0 HB2 ASP A 87 3.405 9.405 -7.259 1.00 0.00 H new ATOM 0 HB3 ASP A 87 2.171 8.171 -7.101 1.00 0.00 H new ATOM 1401 N ARG A 88 1.356 11.278 -7.618 1.00 0.00 N ATOM 1402 CA ARG A 88 0.420 12.189 -6.970 1.00 0.00 C ATOM 1403 C ARG A 88 -0.747 12.520 -7.895 1.00 0.00 C ATOM 1404 O ARG A 88 -1.910 12.344 -7.531 1.00 0.00 O ATOM 1405 CB ARG A 88 1.134 13.476 -6.553 1.00 0.00 C ATOM 1406 CG ARG A 88 2.162 13.273 -5.451 1.00 0.00 C ATOM 1407 CD ARG A 88 2.936 14.551 -5.169 1.00 0.00 C ATOM 1408 NE ARG A 88 2.260 15.395 -4.187 1.00 0.00 N ATOM 1409 CZ ARG A 88 2.515 16.690 -4.031 1.00 0.00 C ATOM 1410 NH1 ARG A 88 3.425 17.286 -4.789 1.00 0.00 N ATOM 1411 NH2 ARG A 88 1.858 17.391 -3.116 1.00 0.00 N ATOM 0 H ARG A 88 2.337 11.540 -7.520 1.00 0.00 H new ATOM 0 HA ARG A 88 0.028 11.694 -6.082 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.628 13.906 -7.424 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.392 14.201 -6.217 1.00 0.00 H new ATOM 0 HG2 ARG A 88 1.661 12.941 -4.541 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.855 12.483 -5.740 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.932 14.299 -4.806 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.067 15.108 -6.097 1.00 0.00 H new ATOM 0 HE ARG A 88 1.554 14.967 -3.588 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.931 16.751 -5.494 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.619 18.280 -4.667 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.157 16.936 -2.532 1.00 0.00 H new ATOM 0 HH22 ARG A 88 2.054 18.385 -2.997 1.00 0.00 H new ATOM 1425 N ARG A 89 -0.428 12.999 -9.093 1.00 0.00 N ATOM 1426 CA ARG A 89 -1.450 13.356 -10.070 1.00 0.00 C ATOM 1427 C ARG A 89 -2.161 12.111 -10.592 1.00 0.00 C ATOM 1428 O ARG A 89 -3.280 12.189 -11.099 1.00 0.00 O ATOM 1429 CB ARG A 89 -0.826 14.126 -11.235 1.00 0.00 C ATOM 1430 CG ARG A 89 -0.025 13.250 -12.184 1.00 0.00 C ATOM 1431 CD ARG A 89 -0.024 13.815 -13.596 1.00 0.00 C ATOM 1432 NE ARG A 89 -1.270 13.529 -14.301 1.00 0.00 N ATOM 1433 CZ ARG A 89 -1.633 14.134 -15.427 1.00 0.00 C ATOM 1434 NH1 ARG A 89 -0.849 15.053 -15.973 1.00 0.00 N ATOM 1435 NH2 ARG A 89 -2.783 13.819 -16.009 1.00 0.00 N ATOM 0 H ARG A 89 0.530 13.149 -9.410 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.184 13.992 -9.575 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.617 14.625 -11.795 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.176 14.906 -10.838 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.000 13.165 -11.824 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.444 12.244 -12.194 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.130 14.893 -13.555 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.813 13.395 -14.154 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.896 12.826 -13.908 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.036 15.298 -15.529 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.131 15.515 -16.837 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.389 13.112 -15.592 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.061 14.284 -16.873 1.00 0.00 H new ATOM 1449 N SER A 90 -1.502 10.963 -10.466 1.00 0.00 N ATOM 1450 CA SER A 90 -2.069 9.702 -10.929 1.00 0.00 C ATOM 1451 C SER A 90 -2.995 9.102 -9.875 1.00 0.00 C ATOM 1452 O SER A 90 -3.812 8.230 -10.173 1.00 0.00 O ATOM 1453 CB SER A 90 -0.953 8.711 -11.267 1.00 0.00 C ATOM 1454 OG SER A 90 -0.546 8.844 -12.618 1.00 0.00 O ATOM 0 H SER A 90 -0.576 10.881 -10.047 1.00 0.00 H new ATOM 0 HA SER A 90 -2.652 9.903 -11.828 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.101 8.880 -10.609 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.299 7.693 -11.086 1.00 0.00 H new ATOM 0 HG SER A 90 0.169 8.201 -12.809 1.00 0.00 H new ATOM 1460 N LEU A 91 -2.861 9.576 -8.641 1.00 0.00 N ATOM 1461 CA LEU A 91 -3.685 9.088 -7.540 1.00 0.00 C ATOM 1462 C LEU A 91 -4.938 9.942 -7.378 1.00 0.00 C ATOM 1463 O LEU A 91 -6.028 9.422 -7.143 1.00 0.00 O ATOM 1464 CB LEU A 91 -2.882 9.088 -6.238 1.00 0.00 C ATOM 1465 CG LEU A 91 -3.685 9.309 -4.955 1.00 0.00 C ATOM 1466 CD1 LEU A 91 -3.027 8.595 -3.785 1.00 0.00 C ATOM 1467 CD2 LEU A 91 -3.826 10.796 -4.664 1.00 0.00 C ATOM 0 H LEU A 91 -2.190 10.298 -8.378 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.991 8.068 -7.771 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.360 8.135 -6.156 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.120 9.864 -6.304 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.682 8.891 -5.096 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.612 8.763 -2.881 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.978 7.526 -3.992 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.019 8.983 -3.642 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.400 10.935 -3.748 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.837 11.238 -4.543 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.342 11.282 -5.492 1.00 0.00 H new ATOM 1479 N GLU A 92 -4.775 11.255 -7.508 1.00 0.00 N ATOM 1480 CA GLU A 92 -5.894 12.180 -7.377 1.00 0.00 C ATOM 1481 C GLU A 92 -7.071 11.736 -8.242 1.00 0.00 C ATOM 1482 O GLU A 92 -8.205 12.167 -8.034 1.00 0.00 O ATOM 1483 CB GLU A 92 -5.464 13.595 -7.769 1.00 0.00 C ATOM 1484 CG GLU A 92 -5.067 13.728 -9.230 1.00 0.00 C ATOM 1485 CD GLU A 92 -5.044 15.170 -9.699 1.00 0.00 C ATOM 1486 OE1 GLU A 92 -6.097 15.835 -9.625 1.00 0.00 O ATOM 1487 OE2 GLU A 92 -3.970 15.632 -10.140 1.00 0.00 O ATOM 0 H GLU A 92 -3.879 11.702 -7.704 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.211 12.181 -6.334 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.281 14.285 -7.559 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.623 13.896 -7.144 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.081 13.286 -9.376 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.765 13.161 -9.846 1.00 0.00 H new ATOM 1494 N SER A 93 -6.791 10.873 -9.214 1.00 0.00 N ATOM 1495 CA SER A 93 -7.824 10.374 -10.114 1.00 0.00 C ATOM 1496 C SER A 93 -8.669 9.303 -9.430 1.00 0.00 C ATOM 1497 O SER A 93 -9.841 9.522 -9.124 1.00 0.00 O ATOM 1498 CB SER A 93 -7.191 9.806 -11.386 1.00 0.00 C ATOM 1499 OG SER A 93 -8.181 9.472 -12.343 1.00 0.00 O ATOM 0 H SER A 93 -5.858 10.505 -9.398 1.00 0.00 H new ATOM 0 HA SER A 93 -8.473 11.208 -10.381 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.502 10.536 -11.811 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.605 8.920 -11.140 1.00 0.00 H new ATOM 0 HG SER A 93 -7.813 9.577 -13.245 1.00 0.00 H new ATOM 1505 N VAL A 94 -8.064 8.143 -9.194 1.00 0.00 N ATOM 1506 CA VAL A 94 -8.759 7.037 -8.546 1.00 0.00 C ATOM 1507 C VAL A 94 -9.726 7.544 -7.482 1.00 0.00 C ATOM 1508 O VAL A 94 -10.935 7.323 -7.570 1.00 0.00 O ATOM 1509 CB VAL A 94 -7.767 6.055 -7.896 1.00 0.00 C ATOM 1510 CG1 VAL A 94 -8.500 5.071 -6.997 1.00 0.00 C ATOM 1511 CG2 VAL A 94 -6.969 5.321 -8.964 1.00 0.00 C ATOM 0 H VAL A 94 -7.095 7.945 -9.442 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.318 6.516 -9.323 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.071 6.624 -7.279 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.782 4.385 -6.547 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -9.023 5.616 -6.211 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.221 4.506 -7.588 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.273 4.631 -8.488 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -7.649 4.763 -9.608 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.413 6.042 -9.563 1.00 0.00 H new ATOM 1521 N LEU A 95 -9.187 8.224 -6.476 1.00 0.00 N ATOM 1522 CA LEU A 95 -10.002 8.764 -5.394 1.00 0.00 C ATOM 1523 C LEU A 95 -11.225 9.491 -5.943 1.00 0.00 C ATOM 1524 O LEU A 95 -12.326 9.368 -5.407 1.00 0.00 O ATOM 1525 CB LEU A 95 -9.173 9.717 -4.531 1.00 0.00 C ATOM 1526 CG LEU A 95 -7.874 9.147 -3.960 1.00 0.00 C ATOM 1527 CD1 LEU A 95 -7.036 10.251 -3.334 1.00 0.00 C ATOM 1528 CD2 LEU A 95 -8.171 8.057 -2.941 1.00 0.00 C ATOM 0 H LEU A 95 -8.189 8.414 -6.387 1.00 0.00 H new ATOM 0 HA LEU A 95 -10.343 7.931 -4.780 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.929 10.596 -5.127 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.793 10.056 -3.701 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.304 8.706 -4.778 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.116 9.826 -2.933 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.792 10.996 -4.091 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.599 10.723 -2.529 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.235 7.663 -2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.763 8.473 -2.126 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.729 7.253 -3.421 1.00 0.00 H new ATOM 1540 N SER A 96 -11.024 10.248 -7.018 1.00 0.00 N ATOM 1541 CA SER A 96 -12.110 10.996 -7.640 1.00 0.00 C ATOM 1542 C SER A 96 -13.136 10.052 -8.258 1.00 0.00 C ATOM 1543 O SER A 96 -14.330 10.350 -8.291 1.00 0.00 O ATOM 1544 CB SER A 96 -11.559 11.941 -8.710 1.00 0.00 C ATOM 1545 OG SER A 96 -12.601 12.679 -9.323 1.00 0.00 O ATOM 0 H SER A 96 -10.119 10.359 -7.476 1.00 0.00 H new ATOM 0 HA SER A 96 -12.604 11.584 -6.866 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.840 12.626 -8.260 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.022 11.367 -9.465 1.00 0.00 H new ATOM 0 HG SER A 96 -12.223 13.276 -10.002 1.00 0.00 H new ATOM 1551 N ARG A 97 -12.661 8.912 -8.748 1.00 0.00 N ATOM 1552 CA ARG A 97 -13.536 7.923 -9.367 1.00 0.00 C ATOM 1553 C ARG A 97 -14.210 7.055 -8.309 1.00 0.00 C ATOM 1554 O ARG A 97 -15.238 6.428 -8.567 1.00 0.00 O ATOM 1555 CB ARG A 97 -12.743 7.043 -10.335 1.00 0.00 C ATOM 1556 CG ARG A 97 -11.844 7.829 -11.276 1.00 0.00 C ATOM 1557 CD ARG A 97 -11.665 7.112 -12.605 1.00 0.00 C ATOM 1558 NE ARG A 97 -10.399 7.456 -13.246 1.00 0.00 N ATOM 1559 CZ ARG A 97 -10.054 7.041 -14.460 1.00 0.00 C ATOM 1560 NH1 ARG A 97 -10.876 6.272 -15.160 1.00 0.00 N ATOM 1561 NH2 ARG A 97 -8.884 7.397 -14.976 1.00 0.00 N ATOM 0 H ARG A 97 -11.675 8.650 -8.729 1.00 0.00 H new ATOM 0 HA ARG A 97 -14.309 8.455 -9.921 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -12.133 6.345 -9.762 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -13.440 6.447 -10.925 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -12.272 8.817 -11.449 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -10.871 7.980 -10.809 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -11.709 6.035 -12.445 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -12.490 7.369 -13.270 1.00 0.00 H new ATOM 0 HE ARG A 97 -9.744 8.047 -12.734 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -11.776 5.997 -14.767 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -10.608 5.955 -16.092 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -8.249 7.989 -14.440 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -8.619 7.078 -15.908 1.00 0.00 H new ATOM 1575 N LYS A 98 -13.623 7.021 -7.117 1.00 0.00 N ATOM 1576 CA LYS A 98 -14.166 6.231 -6.019 1.00 0.00 C ATOM 1577 C LYS A 98 -14.968 7.107 -5.062 1.00 0.00 C ATOM 1578 O LYS A 98 -16.183 6.955 -4.936 1.00 0.00 O ATOM 1579 CB LYS A 98 -13.036 5.531 -5.260 1.00 0.00 C ATOM 1580 CG LYS A 98 -12.115 4.718 -6.154 1.00 0.00 C ATOM 1581 CD LYS A 98 -12.776 3.427 -6.607 1.00 0.00 C ATOM 1582 CE LYS A 98 -11.890 2.658 -7.576 1.00 0.00 C ATOM 1583 NZ LYS A 98 -12.612 1.513 -8.198 1.00 0.00 N ATOM 0 H LYS A 98 -12.771 7.532 -6.887 1.00 0.00 H new ATOM 0 HA LYS A 98 -14.833 5.479 -6.441 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -12.447 6.280 -4.731 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -13.469 4.874 -4.505 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -11.836 5.310 -7.025 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.195 4.488 -5.617 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -12.994 2.805 -5.739 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -13.729 3.653 -7.085 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -11.536 3.331 -8.357 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.010 2.289 -7.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.975 1.014 -8.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -12.928 0.857 -7.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -13.438 1.867 -8.722 1.00 0.00 H new ATOM 1597 N LEU A 99 -14.281 8.026 -4.391 1.00 0.00 N ATOM 1598 CA LEU A 99 -14.929 8.928 -3.447 1.00 0.00 C ATOM 1599 C LEU A 99 -15.976 9.789 -4.147 1.00 0.00 C ATOM 1600 O LEU A 99 -15.655 10.824 -4.728 1.00 0.00 O ATOM 1601 CB LEU A 99 -13.890 9.821 -2.768 1.00 0.00 C ATOM 1602 CG LEU A 99 -12.863 9.107 -1.888 1.00 0.00 C ATOM 1603 CD1 LEU A 99 -11.777 10.074 -1.443 1.00 0.00 C ATOM 1604 CD2 LEU A 99 -13.542 8.473 -0.683 1.00 0.00 C ATOM 0 H LEU A 99 -13.275 8.165 -4.484 1.00 0.00 H new ATOM 0 HA LEU A 99 -15.429 8.323 -2.690 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -13.355 10.374 -3.540 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -14.415 10.555 -2.157 1.00 0.00 H new ATOM 0 HG LEU A 99 -12.397 8.316 -2.475 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -11.055 9.548 -0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -11.271 10.480 -2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -12.226 10.888 -0.873 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -12.796 7.969 -0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -14.035 9.247 -0.094 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -14.282 7.748 -1.022 1.00 0.00 H new ATOM 1616 N ASN A 100 -17.230 9.353 -4.085 1.00 0.00 N ATOM 1617 CA ASN A 100 -18.325 10.085 -4.712 1.00 0.00 C ATOM 1618 C ASN A 100 -18.549 11.426 -4.021 1.00 0.00 C ATOM 1619 O ASN A 100 -18.849 11.479 -2.829 1.00 0.00 O ATOM 1620 CB ASN A 100 -19.611 9.256 -4.670 1.00 0.00 C ATOM 1621 CG ASN A 100 -20.574 9.625 -5.781 1.00 0.00 C ATOM 1622 OD1 ASN A 100 -20.502 10.719 -6.342 1.00 0.00 O ATOM 1623 ND2 ASN A 100 -21.483 8.713 -6.104 1.00 0.00 N ATOM 0 H ASN A 100 -17.513 8.497 -3.607 1.00 0.00 H new ATOM 0 HA ASN A 100 -18.055 10.272 -5.751 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -19.360 8.198 -4.747 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -20.100 9.399 -3.707 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -22.158 8.906 -6.844 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -21.506 7.820 -5.613 1.00 0.00 H new TER 1630 ASN A 100