USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 967 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 101 TYR OH : rot 15:sc= -6.13! USER MOD Set 1.2: A 105 HIS : no HD1:sc= -5.46! C(o=-12!,f=-12!) USER MOD Set 2.1: A 11 SER OG : rot -52:sc= 0.935 USER MOD Set 2.2: A 76 CYS SG : rot 10:sc= 0.573 USER MOD Set 3.1: A 51 THR OG1 : rot 116:sc= -8.7! USER MOD Set 3.2: A 57 GLN : amide:sc= -7.46! C(o=-16!,f=-12!) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 9:sc= -3.96! USER MOD Single : A 15 LYS NZ :NH3+ -113:sc= 1.3 (180deg=-0.631) USER MOD Single : A 20 SER OG : rot 180:sc= -1.37 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.242 X(o=-0.24,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.399 USER MOD Single : A 38 GLN : amide:sc= -0.763 K(o=-0.76,f=-0.12) USER MOD Single : A 40 MET CE :methyl 150:sc= -3.51! (180deg=-4.91!) USER MOD Single : A 41 THR OG1 : rot 90:sc= 1.25 USER MOD Single : A 46 THR OG1 : rot 90:sc= 0.0133 USER MOD Single : A 49 SER OG : rot -82:sc= 1.13 USER MOD Single : A 58 SER OG : rot 180:sc= -0.0164 USER MOD Single : A 63 ASN : amide:sc= -0.424 X(o=-0.42,f=-0.75) USER MOD Single : A 64 TYR OH : rot -170:sc= -0.317 USER MOD Single : A 67 HIS : no HD1:sc= -3.2 K(o=-3.2,f=-7.5!) USER MOD Single : A 69 TYR OH : rot 120:sc= -0.696 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0429 USER MOD Single : A 81 THR OG1 : rot 178:sc= -0.891! USER MOD Single : A 83 LYS NZ :NH3+ -162:sc= 0.00914 (180deg=-0.000401) USER MOD Single : A 84 GLN : amide:sc= -0.488 K(o=-0.49,f=-2.9!) USER MOD Single : A 85 TYR OH : rot 107:sc= -0.589! USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= -1.08 K(o=-1.1,f=0.18!) USER MOD Single : A 127 THR OG1 : rot 75:sc= 1.13 USER MOD Single : A 128 TYR OH : rot 30:sc= -0.242 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 135:sc= -1.29 (180deg=-3.87!) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= -1.57 K(o=-1.6,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 2 -8.907 10.620 3.184 1.00 0.00 N ATOM 21 CA ARG A 2 -9.733 9.465 3.511 1.00 0.00 C ATOM 22 C ARG A 2 -9.145 8.182 2.925 1.00 0.00 C ATOM 23 O ARG A 2 -9.734 7.566 2.035 1.00 0.00 O ATOM 24 CB ARG A 2 -11.163 9.675 3.003 1.00 0.00 C ATOM 25 CG ARG A 2 -12.170 9.920 4.114 1.00 0.00 C ATOM 26 CD ARG A 2 -13.442 10.564 3.585 1.00 0.00 C ATOM 27 NE ARG A 2 -14.576 9.642 3.614 1.00 0.00 N ATOM 28 CZ ARG A 2 -15.273 9.359 4.712 1.00 0.00 C ATOM 29 NH1 ARG A 2 -14.955 9.920 5.872 1.00 0.00 N ATOM 30 NH2 ARG A 2 -16.291 8.511 4.651 1.00 0.00 N ATOM 0 HA ARG A 2 -9.754 9.361 4.596 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -11.176 10.523 2.318 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -11.470 8.799 2.432 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -12.415 8.975 4.599 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -11.725 10.562 4.874 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -13.677 11.446 4.181 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -13.278 10.905 2.563 1.00 0.00 H new ATOM 0 HE ARG A 2 -14.849 9.189 2.742 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -14.173 10.572 5.926 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -15.493 9.699 6.710 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -16.540 8.076 3.763 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -16.825 8.294 5.492 1.00 0.00 H new ATOM 44 N ILE A 3 -7.986 7.779 3.436 1.00 0.00 N ATOM 45 CA ILE A 3 -7.330 6.563 2.968 1.00 0.00 C ATOM 46 C ILE A 3 -8.179 5.343 3.301 1.00 0.00 C ATOM 47 O ILE A 3 -8.829 5.299 4.345 1.00 0.00 O ATOM 48 CB ILE A 3 -5.929 6.408 3.593 1.00 0.00 C ATOM 49 CG1 ILE A 3 -5.212 5.187 3.030 1.00 0.00 C ATOM 50 CG2 ILE A 3 -6.032 6.306 5.106 1.00 0.00 C ATOM 51 CD1 ILE A 3 -3.722 5.396 2.899 1.00 0.00 C ATOM 0 H ILE A 3 -7.483 8.275 4.172 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.217 6.641 1.887 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.346 7.293 3.339 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.399 4.330 3.677 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.628 4.945 2.052 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -5.035 6.197 5.532 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -6.499 7.209 5.501 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.637 5.439 5.372 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.262 4.495 2.493 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.530 6.234 2.229 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.297 5.610 3.880 1.00 0.00 H new ATOM 63 N TYR A 4 -8.192 4.362 2.405 1.00 0.00 N ATOM 64 CA TYR A 4 -8.991 3.162 2.619 1.00 0.00 C ATOM 65 C TYR A 4 -8.136 1.900 2.664 1.00 0.00 C ATOM 66 O TYR A 4 -8.472 0.947 3.368 1.00 0.00 O ATOM 67 CB TYR A 4 -10.051 3.034 1.526 1.00 0.00 C ATOM 68 CG TYR A 4 -11.167 4.046 1.649 1.00 0.00 C ATOM 69 CD1 TYR A 4 -11.804 4.259 2.864 1.00 0.00 C ATOM 70 CD2 TYR A 4 -11.579 4.789 0.552 1.00 0.00 C ATOM 71 CE1 TYR A 4 -12.824 5.185 2.981 1.00 0.00 C ATOM 72 CE2 TYR A 4 -12.597 5.718 0.661 1.00 0.00 C ATOM 73 CZ TYR A 4 -13.216 5.911 1.878 1.00 0.00 C ATOM 74 OH TYR A 4 -14.230 6.835 1.991 1.00 0.00 O ATOM 0 H TYR A 4 -7.664 4.373 1.532 1.00 0.00 H new ATOM 0 HA TYR A 4 -9.475 3.265 3.590 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -9.574 3.147 0.553 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -10.476 2.031 1.558 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -11.498 3.693 3.731 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -11.097 4.639 -0.403 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -13.311 5.338 3.933 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -12.906 6.289 -0.202 1.00 0.00 H new ATOM 0 HH TYR A 4 -14.383 7.261 1.122 1.00 0.00 H new ATOM 84 N TYR A 5 -7.038 1.882 1.916 1.00 0.00 N ATOM 85 CA TYR A 5 -6.174 0.708 1.902 1.00 0.00 C ATOM 86 C TYR A 5 -4.719 1.069 1.654 1.00 0.00 C ATOM 87 O TYR A 5 -4.404 2.059 0.996 1.00 0.00 O ATOM 88 CB TYR A 5 -6.650 -0.295 0.844 1.00 0.00 C ATOM 89 CG TYR A 5 -5.750 -1.514 0.665 1.00 0.00 C ATOM 90 CD1 TYR A 5 -4.473 -1.402 0.117 1.00 0.00 C ATOM 91 CD2 TYR A 5 -6.190 -2.782 1.027 1.00 0.00 C ATOM 92 CE1 TYR A 5 -3.668 -2.509 -0.061 1.00 0.00 C ATOM 93 CE2 TYR A 5 -5.388 -3.895 0.848 1.00 0.00 C ATOM 94 CZ TYR A 5 -4.130 -3.751 0.304 1.00 0.00 C ATOM 95 OH TYR A 5 -3.333 -4.855 0.120 1.00 0.00 O ATOM 0 H TYR A 5 -6.729 2.652 1.322 1.00 0.00 H new ATOM 0 HA TYR A 5 -6.238 0.252 2.890 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.650 -0.636 1.111 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -6.734 0.220 -0.113 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -4.106 -0.429 -0.174 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -7.174 -2.900 1.455 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.681 -2.400 -0.485 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -5.746 -4.873 1.133 1.00 0.00 H new ATOM 0 HH TYR A 5 -2.433 -4.569 -0.141 1.00 0.00 H new ATOM 105 N ILE A 6 -3.842 0.227 2.178 1.00 0.00 N ATOM 106 CA ILE A 6 -2.413 0.390 2.021 1.00 0.00 C ATOM 107 C ILE A 6 -1.762 -0.984 2.084 1.00 0.00 C ATOM 108 O ILE A 6 -2.401 -1.951 2.493 1.00 0.00 O ATOM 109 CB ILE A 6 -1.846 1.341 3.104 1.00 0.00 C ATOM 110 CG1 ILE A 6 -2.071 2.796 2.665 1.00 0.00 C ATOM 111 CG2 ILE A 6 -0.378 1.074 3.388 1.00 0.00 C ATOM 112 CD1 ILE A 6 -1.170 3.816 3.338 1.00 0.00 C ATOM 0 H ILE A 6 -4.107 -0.591 2.726 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.193 0.846 1.056 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.377 1.157 4.038 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.926 2.861 1.587 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.109 3.063 2.864 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.024 1.765 4.153 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.256 0.049 3.739 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.201 1.216 2.475 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.404 4.812 2.963 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.329 3.787 4.416 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.128 3.582 3.119 1.00 0.00 H new ATOM 124 N GLY A 7 -0.510 -1.082 1.673 1.00 0.00 N ATOM 125 CA GLY A 7 0.154 -2.367 1.703 1.00 0.00 C ATOM 126 C GLY A 7 1.395 -2.414 0.843 1.00 0.00 C ATOM 127 O GLY A 7 1.966 -1.380 0.495 1.00 0.00 O ATOM 0 H GLY A 7 0.053 -0.307 1.323 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.423 -2.606 2.732 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.542 -3.137 1.369 1.00 0.00 H new ATOM 131 N VAL A 8 1.814 -3.625 0.508 1.00 0.00 N ATOM 132 CA VAL A 8 2.998 -3.828 -0.307 1.00 0.00 C ATOM 133 C VAL A 8 2.868 -5.106 -1.126 1.00 0.00 C ATOM 134 O VAL A 8 2.228 -6.064 -0.695 1.00 0.00 O ATOM 135 CB VAL A 8 4.269 -3.916 0.557 1.00 0.00 C ATOM 136 CG1 VAL A 8 5.416 -3.168 -0.102 1.00 0.00 C ATOM 137 CG2 VAL A 8 4.020 -3.378 1.961 1.00 0.00 C ATOM 0 H VAL A 8 1.347 -4.486 0.791 1.00 0.00 H new ATOM 0 HA VAL A 8 3.084 -2.969 -0.972 1.00 0.00 H new ATOM 0 HB VAL A 8 4.542 -4.968 0.643 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.306 -3.242 0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.622 -3.606 -1.079 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.144 -2.120 -0.224 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.936 -3.453 2.547 1.00 0.00 H new ATOM 0 HG22 VAL A 8 3.712 -2.334 1.901 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.234 -3.961 2.440 1.00 0.00 H new ATOM 147 N PHE A 9 3.461 -5.115 -2.315 1.00 0.00 N ATOM 148 CA PHE A 9 3.383 -6.283 -3.185 1.00 0.00 C ATOM 149 C PHE A 9 4.607 -6.403 -4.084 1.00 0.00 C ATOM 150 O PHE A 9 5.042 -5.428 -4.693 1.00 0.00 O ATOM 151 CB PHE A 9 2.133 -6.213 -4.062 1.00 0.00 C ATOM 152 CG PHE A 9 0.924 -5.636 -3.384 1.00 0.00 C ATOM 153 CD1 PHE A 9 0.902 -4.318 -2.951 1.00 0.00 C ATOM 154 CD2 PHE A 9 -0.203 -6.412 -3.200 1.00 0.00 C ATOM 155 CE1 PHE A 9 -0.221 -3.798 -2.343 1.00 0.00 C ATOM 156 CE2 PHE A 9 -1.328 -5.897 -2.598 1.00 0.00 C ATOM 157 CZ PHE A 9 -1.337 -4.588 -2.167 1.00 0.00 C ATOM 0 H PHE A 9 3.996 -4.335 -2.696 1.00 0.00 H new ATOM 0 HA PHE A 9 3.338 -7.159 -2.538 1.00 0.00 H new ATOM 0 HB2 PHE A 9 2.358 -5.615 -4.945 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.893 -7.218 -4.410 1.00 0.00 H new ATOM 0 HD1 PHE A 9 1.772 -3.694 -3.091 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.202 -7.439 -3.534 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.226 -2.772 -2.005 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.202 -6.517 -2.464 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.218 -4.181 -1.692 1.00 0.00 H new ATOM 167 N ARG A 10 5.141 -7.612 -4.187 1.00 0.00 N ATOM 168 CA ARG A 10 6.294 -7.864 -5.036 1.00 0.00 C ATOM 169 C ARG A 10 5.857 -7.912 -6.495 1.00 0.00 C ATOM 170 O ARG A 10 4.815 -8.480 -6.821 1.00 0.00 O ATOM 171 CB ARG A 10 6.979 -9.178 -4.634 1.00 0.00 C ATOM 172 CG ARG A 10 7.665 -9.901 -5.786 1.00 0.00 C ATOM 173 CD ARG A 10 6.715 -10.851 -6.499 1.00 0.00 C ATOM 174 NE ARG A 10 7.434 -11.871 -7.260 1.00 0.00 N ATOM 175 CZ ARG A 10 6.839 -12.870 -7.908 1.00 0.00 C ATOM 176 NH1 ARG A 10 5.516 -12.984 -7.894 1.00 0.00 N ATOM 177 NH2 ARG A 10 7.568 -13.755 -8.572 1.00 0.00 N ATOM 0 H ARG A 10 4.793 -8.433 -3.692 1.00 0.00 H new ATOM 0 HA ARG A 10 7.013 -7.054 -4.909 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.717 -8.968 -3.860 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.236 -9.843 -4.194 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.050 -9.170 -6.497 1.00 0.00 H new ATOM 0 HG3 ARG A 10 8.521 -10.459 -5.407 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.067 -11.333 -5.767 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.071 -10.284 -7.171 1.00 0.00 H new ATOM 0 HE ARG A 10 8.452 -11.814 -7.297 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.951 -12.304 -7.385 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.065 -13.751 -8.392 1.00 0.00 H new ATOM 0 HH21 ARG A 10 8.584 -13.671 -8.586 1.00 0.00 H new ATOM 0 HH22 ARG A 10 7.113 -14.521 -9.069 1.00 0.00 H new ATOM 191 N SER A 11 6.651 -7.311 -7.369 1.00 0.00 N ATOM 192 CA SER A 11 6.329 -7.291 -8.787 1.00 0.00 C ATOM 193 C SER A 11 6.473 -8.676 -9.401 1.00 0.00 C ATOM 194 O SER A 11 7.537 -9.041 -9.901 1.00 0.00 O ATOM 195 CB SER A 11 7.223 -6.310 -9.529 1.00 0.00 C ATOM 196 OG SER A 11 7.675 -5.275 -8.671 1.00 0.00 O ATOM 0 H SER A 11 7.518 -6.833 -7.123 1.00 0.00 H new ATOM 0 HA SER A 11 5.291 -6.971 -8.883 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.079 -6.839 -9.947 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.676 -5.878 -10.367 1.00 0.00 H new ATOM 0 HG SER A 11 6.907 -4.864 -8.221 1.00 0.00 H new ATOM 202 N GLY A 12 5.391 -9.436 -9.365 1.00 0.00 N ATOM 203 CA GLY A 12 5.403 -10.774 -9.927 1.00 0.00 C ATOM 204 C GLY A 12 5.172 -10.766 -11.426 1.00 0.00 C ATOM 205 O GLY A 12 5.350 -9.738 -12.081 1.00 0.00 O ATOM 0 H GLY A 12 4.501 -9.152 -8.956 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.360 -11.249 -9.711 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.632 -11.376 -9.445 1.00 0.00 H new ATOM 209 N GLY A 13 4.773 -11.909 -11.972 1.00 0.00 N ATOM 210 CA GLY A 13 4.521 -11.998 -13.399 1.00 0.00 C ATOM 211 C GLY A 13 3.441 -11.036 -13.854 1.00 0.00 C ATOM 212 O GLY A 13 3.659 -9.826 -13.899 1.00 0.00 O ATOM 0 H GLY A 13 4.620 -12.774 -11.454 1.00 0.00 H new ATOM 0 HA2 GLY A 13 5.443 -11.789 -13.942 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.226 -13.017 -13.651 1.00 0.00 H new ATOM 216 N GLU A 14 2.273 -11.575 -14.185 1.00 0.00 N ATOM 217 CA GLU A 14 1.152 -10.756 -14.632 1.00 0.00 C ATOM 218 C GLU A 14 0.360 -10.217 -13.441 1.00 0.00 C ATOM 219 O GLU A 14 -0.419 -9.273 -13.578 1.00 0.00 O ATOM 220 CB GLU A 14 0.232 -11.566 -15.546 1.00 0.00 C ATOM 221 CG GLU A 14 0.734 -11.670 -16.976 1.00 0.00 C ATOM 222 CD GLU A 14 -0.392 -11.806 -17.982 1.00 0.00 C ATOM 223 OE1 GLU A 14 -1.161 -10.836 -18.148 1.00 0.00 O ATOM 224 OE2 GLU A 14 -0.505 -12.884 -18.604 1.00 0.00 O ATOM 0 H GLU A 14 2.078 -12.576 -14.152 1.00 0.00 H new ATOM 0 HA GLU A 14 1.554 -9.911 -15.190 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.118 -12.569 -15.136 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.757 -11.109 -15.549 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.324 -10.785 -17.215 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.399 -12.530 -17.062 1.00 0.00 H new ATOM 231 N LYS A 15 0.568 -10.819 -12.272 1.00 0.00 N ATOM 232 CA LYS A 15 -0.118 -10.402 -11.060 1.00 0.00 C ATOM 233 C LYS A 15 0.889 -10.186 -9.934 1.00 0.00 C ATOM 234 O LYS A 15 1.767 -11.018 -9.702 1.00 0.00 O ATOM 235 CB LYS A 15 -1.168 -11.454 -10.668 1.00 0.00 C ATOM 236 CG LYS A 15 -1.399 -11.592 -9.171 1.00 0.00 C ATOM 237 CD LYS A 15 -0.526 -12.685 -8.574 1.00 0.00 C ATOM 238 CE LYS A 15 -1.167 -13.299 -7.341 1.00 0.00 C ATOM 239 NZ LYS A 15 -1.027 -12.420 -6.147 1.00 0.00 N ATOM 0 H LYS A 15 1.210 -11.601 -12.143 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.629 -9.457 -11.241 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.114 -11.200 -11.146 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.860 -12.421 -11.065 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.184 -10.643 -8.679 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.448 -11.819 -8.982 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.352 -13.461 -9.320 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.448 -12.271 -8.311 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.224 -13.483 -7.535 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.707 -14.266 -7.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.402 -12.876 -5.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.619 -11.507 -6.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.962 -12.262 -5.721 1.00 0.00 H new ATOM 253 N ALA A 16 0.759 -9.060 -9.246 1.00 0.00 N ATOM 254 CA ALA A 16 1.657 -8.721 -8.152 1.00 0.00 C ATOM 255 C ALA A 16 1.532 -9.703 -6.997 1.00 0.00 C ATOM 256 O ALA A 16 0.606 -10.511 -6.947 1.00 0.00 O ATOM 257 CB ALA A 16 1.374 -7.313 -7.666 1.00 0.00 C ATOM 0 H ALA A 16 0.037 -8.363 -9.428 1.00 0.00 H new ATOM 0 HA ALA A 16 2.678 -8.779 -8.530 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.051 -7.068 -6.847 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.524 -6.609 -8.484 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.344 -7.249 -7.317 1.00 0.00 H new ATOM 263 N LEU A 17 2.472 -9.613 -6.063 1.00 0.00 N ATOM 264 CA LEU A 17 2.475 -10.478 -4.895 1.00 0.00 C ATOM 265 C LEU A 17 1.558 -9.905 -3.810 1.00 0.00 C ATOM 266 O LEU A 17 0.531 -9.302 -4.117 1.00 0.00 O ATOM 267 CB LEU A 17 3.910 -10.648 -4.378 1.00 0.00 C ATOM 268 CG LEU A 17 4.331 -12.088 -4.055 1.00 0.00 C ATOM 269 CD1 LEU A 17 5.669 -12.101 -3.331 1.00 0.00 C ATOM 270 CD2 LEU A 17 3.271 -12.792 -3.216 1.00 0.00 C ATOM 0 H LEU A 17 3.243 -8.946 -6.095 1.00 0.00 H new ATOM 0 HA LEU A 17 2.092 -11.460 -5.171 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.596 -10.246 -5.124 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.027 -10.044 -3.479 1.00 0.00 H new ATOM 0 HG LEU A 17 4.435 -12.628 -4.996 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.953 -13.130 -3.109 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.429 -11.643 -3.964 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.585 -11.539 -2.401 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.594 -13.811 -3.001 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.129 -12.251 -2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.330 -12.818 -3.766 1.00 0.00 H new ATOM 282 N GLU A 18 1.930 -10.092 -2.550 1.00 0.00 N ATOM 283 CA GLU A 18 1.150 -9.592 -1.428 1.00 0.00 C ATOM 284 C GLU A 18 2.051 -9.369 -0.216 1.00 0.00 C ATOM 285 O GLU A 18 1.661 -9.648 0.916 1.00 0.00 O ATOM 286 CB GLU A 18 0.030 -10.574 -1.076 1.00 0.00 C ATOM 287 CG GLU A 18 -1.131 -10.547 -2.055 1.00 0.00 C ATOM 288 CD GLU A 18 -2.454 -10.892 -1.400 1.00 0.00 C ATOM 289 OE1 GLU A 18 -2.871 -10.155 -0.482 1.00 0.00 O ATOM 290 OE2 GLU A 18 -3.072 -11.899 -1.805 1.00 0.00 O ATOM 0 H GLU A 18 2.777 -10.592 -2.279 1.00 0.00 H new ATOM 0 HA GLU A 18 0.703 -8.640 -1.715 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.441 -11.583 -1.040 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.342 -10.345 -0.077 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.200 -9.556 -2.504 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.936 -11.251 -2.864 1.00 0.00 H new ATOM 297 N LEU A 19 3.263 -8.864 -0.475 1.00 0.00 N ATOM 298 CA LEU A 19 4.256 -8.590 0.574 1.00 0.00 C ATOM 299 C LEU A 19 3.597 -8.350 1.930 1.00 0.00 C ATOM 300 O LEU A 19 3.897 -9.027 2.910 1.00 0.00 O ATOM 301 CB LEU A 19 5.094 -7.378 0.188 1.00 0.00 C ATOM 302 CG LEU A 19 5.868 -7.517 -1.121 1.00 0.00 C ATOM 303 CD1 LEU A 19 6.442 -6.174 -1.532 1.00 0.00 C ATOM 304 CD2 LEU A 19 6.972 -8.556 -0.988 1.00 0.00 C ATOM 0 H LEU A 19 3.584 -8.634 -1.415 1.00 0.00 H new ATOM 0 HA LEU A 19 4.894 -9.469 0.664 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.438 -6.511 0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.802 -7.174 0.991 1.00 0.00 H new ATOM 0 HG LEU A 19 5.181 -7.855 -1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.992 -6.284 -2.467 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.631 -5.459 -1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.116 -5.813 -0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.510 -8.638 -1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.663 -8.254 -0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.534 -9.522 -0.735 1.00 0.00 H new ATOM 316 N SER A 20 2.677 -7.399 1.969 1.00 0.00 N ATOM 317 CA SER A 20 1.955 -7.098 3.194 1.00 0.00 C ATOM 318 C SER A 20 0.827 -6.113 2.925 1.00 0.00 C ATOM 319 O SER A 20 1.062 -4.985 2.497 1.00 0.00 O ATOM 320 CB SER A 20 2.889 -6.575 4.281 1.00 0.00 C ATOM 321 OG SER A 20 3.807 -5.628 3.764 1.00 0.00 O ATOM 0 H SER A 20 2.414 -6.824 1.169 1.00 0.00 H new ATOM 0 HA SER A 20 1.519 -8.028 3.559 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.302 -6.117 5.077 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.435 -7.408 4.725 1.00 0.00 H new ATOM 0 HG SER A 20 4.390 -5.311 4.485 1.00 0.00 H new ATOM 327 N GLU A 21 -0.403 -6.563 3.147 1.00 0.00 N ATOM 328 CA GLU A 21 -1.575 -5.734 2.891 1.00 0.00 C ATOM 329 C GLU A 21 -2.262 -5.256 4.167 1.00 0.00 C ATOM 330 O GLU A 21 -2.577 -6.044 5.058 1.00 0.00 O ATOM 331 CB GLU A 21 -2.581 -6.511 2.040 1.00 0.00 C ATOM 332 CG GLU A 21 -2.841 -7.923 2.540 1.00 0.00 C ATOM 333 CD GLU A 21 -4.319 -8.226 2.693 1.00 0.00 C ATOM 334 OE1 GLU A 21 -5.099 -7.851 1.791 1.00 0.00 O ATOM 335 OE2 GLU A 21 -4.697 -8.837 3.714 1.00 0.00 O ATOM 0 H GLU A 21 -0.614 -7.495 3.503 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.222 -4.848 2.363 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.523 -5.964 2.017 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.215 -6.560 1.014 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.398 -8.637 1.846 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.344 -8.061 3.500 1.00 0.00 H new ATOM 342 N VAL A 22 -2.519 -3.953 4.214 1.00 0.00 N ATOM 343 CA VAL A 22 -3.203 -3.327 5.333 1.00 0.00 C ATOM 344 C VAL A 22 -4.483 -2.664 4.832 1.00 0.00 C ATOM 345 O VAL A 22 -4.473 -1.981 3.808 1.00 0.00 O ATOM 346 CB VAL A 22 -2.306 -2.278 6.013 1.00 0.00 C ATOM 347 CG1 VAL A 22 -1.917 -1.177 5.043 1.00 0.00 C ATOM 348 CG2 VAL A 22 -2.988 -1.697 7.242 1.00 0.00 C ATOM 0 H VAL A 22 -2.257 -3.302 3.474 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.444 -4.095 6.068 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.393 -2.779 6.334 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.283 -0.451 5.552 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.372 -1.608 4.203 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.816 -0.681 4.677 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.334 -0.958 7.706 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.923 -1.221 6.948 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.196 -2.495 7.954 1.00 0.00 H new ATOM 358 N LYS A 23 -5.591 -2.891 5.526 1.00 0.00 N ATOM 359 CA LYS A 23 -6.866 -2.326 5.097 1.00 0.00 C ATOM 360 C LYS A 23 -7.447 -1.348 6.098 1.00 0.00 C ATOM 361 O LYS A 23 -7.262 -1.481 7.309 1.00 0.00 O ATOM 362 CB LYS A 23 -7.893 -3.434 4.864 1.00 0.00 C ATOM 363 CG LYS A 23 -7.331 -4.658 4.157 1.00 0.00 C ATOM 364 CD LYS A 23 -6.926 -5.736 5.150 1.00 0.00 C ATOM 365 CE LYS A 23 -7.376 -7.115 4.693 1.00 0.00 C ATOM 366 NZ LYS A 23 -7.966 -7.905 5.809 1.00 0.00 N ATOM 0 H LYS A 23 -5.635 -3.453 6.376 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.657 -1.788 4.172 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.307 -3.740 5.825 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.718 -3.033 4.275 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.076 -5.057 3.469 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.467 -4.369 3.559 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.843 -5.729 5.275 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.360 -5.515 6.125 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.110 -7.011 3.894 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.526 -7.655 4.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.260 -8.838 5.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.258 -8.026 6.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.793 -7.403 6.190 1.00 0.00 H new ATOM 380 N ASP A 24 -8.204 -0.401 5.570 1.00 0.00 N ATOM 381 CA ASP A 24 -8.893 0.580 6.383 1.00 0.00 C ATOM 382 C ASP A 24 -10.354 0.597 5.954 1.00 0.00 C ATOM 383 O ASP A 24 -10.688 1.071 4.868 1.00 0.00 O ATOM 384 CB ASP A 24 -8.265 1.966 6.215 1.00 0.00 C ATOM 385 CG ASP A 24 -9.033 3.044 6.957 1.00 0.00 C ATOM 386 OD1 ASP A 24 -8.907 3.117 8.197 1.00 0.00 O ATOM 387 OD2 ASP A 24 -9.759 3.817 6.297 1.00 0.00 O ATOM 0 H ASP A 24 -8.356 -0.293 4.567 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.812 0.315 7.437 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.237 1.942 6.577 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.224 2.217 5.155 1.00 0.00 H new ATOM 392 N LEU A 25 -11.215 0.050 6.797 1.00 0.00 N ATOM 393 CA LEU A 25 -12.635 -0.027 6.491 1.00 0.00 C ATOM 394 C LEU A 25 -13.478 0.522 7.635 1.00 0.00 C ATOM 395 O LEU A 25 -13.948 -0.225 8.495 1.00 0.00 O ATOM 396 CB LEU A 25 -13.019 -1.475 6.196 1.00 0.00 C ATOM 397 CG LEU A 25 -12.361 -2.059 4.942 1.00 0.00 C ATOM 398 CD1 LEU A 25 -11.820 -3.455 5.214 1.00 0.00 C ATOM 399 CD2 LEU A 25 -13.346 -2.079 3.785 1.00 0.00 C ATOM 0 H LEU A 25 -10.955 -0.348 7.700 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.831 0.586 5.611 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -12.750 -2.092 7.054 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -14.102 -1.536 6.086 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.521 -1.420 4.668 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.358 -3.849 4.309 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.077 -3.409 6.010 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.637 -4.109 5.518 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.862 -2.497 2.902 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -14.207 -2.692 4.051 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -13.676 -1.063 3.571 1.00 0.00 H new ATOM 411 N SER A 26 -13.650 1.836 7.640 1.00 0.00 N ATOM 412 CA SER A 26 -14.424 2.509 8.681 1.00 0.00 C ATOM 413 C SER A 26 -15.918 2.564 8.350 1.00 0.00 C ATOM 414 O SER A 26 -16.744 2.034 9.093 1.00 0.00 O ATOM 415 CB SER A 26 -13.891 3.926 8.896 1.00 0.00 C ATOM 416 OG SER A 26 -12.876 3.946 9.885 1.00 0.00 O ATOM 0 H SER A 26 -13.264 2.462 6.933 1.00 0.00 H new ATOM 0 HA SER A 26 -14.311 1.926 9.595 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.496 4.315 7.958 1.00 0.00 H new ATOM 0 HB3 SER A 26 -14.707 4.583 9.195 1.00 0.00 H new ATOM 0 HG SER A 26 -12.551 4.863 10.002 1.00 0.00 H new ATOM 422 N GLN A 27 -16.263 3.227 7.247 1.00 0.00 N ATOM 423 CA GLN A 27 -17.665 3.367 6.844 1.00 0.00 C ATOM 424 C GLN A 27 -18.230 2.068 6.272 1.00 0.00 C ATOM 425 O GLN A 27 -19.447 1.897 6.188 1.00 0.00 O ATOM 426 CB GLN A 27 -17.805 4.492 5.816 1.00 0.00 C ATOM 427 CG GLN A 27 -18.194 5.828 6.426 1.00 0.00 C ATOM 428 CD GLN A 27 -19.692 5.972 6.608 1.00 0.00 C ATOM 429 OE1 GLN A 27 -20.374 6.577 5.781 1.00 0.00 O ATOM 430 NE2 GLN A 27 -20.213 5.417 7.696 1.00 0.00 N ATOM 0 H GLN A 27 -15.596 3.674 6.618 1.00 0.00 H new ATOM 0 HA GLN A 27 -18.239 3.611 7.738 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -16.861 4.606 5.284 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -18.555 4.207 5.078 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -17.702 5.939 7.392 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -17.830 6.634 5.789 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -19.611 4.925 8.356 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -21.216 5.483 7.872 1.00 0.00 H new ATOM 439 N PHE A 28 -17.348 1.162 5.877 1.00 0.00 N ATOM 440 CA PHE A 28 -17.763 -0.119 5.307 1.00 0.00 C ATOM 441 C PHE A 28 -18.162 -1.096 6.410 1.00 0.00 C ATOM 442 O PHE A 28 -17.331 -1.505 7.220 1.00 0.00 O ATOM 443 CB PHE A 28 -16.636 -0.702 4.452 1.00 0.00 C ATOM 444 CG PHE A 28 -15.838 0.357 3.744 1.00 0.00 C ATOM 445 CD1 PHE A 28 -14.833 1.028 4.411 1.00 0.00 C ATOM 446 CD2 PHE A 28 -16.106 0.693 2.429 1.00 0.00 C ATOM 447 CE1 PHE A 28 -14.105 2.016 3.787 1.00 0.00 C ATOM 448 CE2 PHE A 28 -15.379 1.680 1.793 1.00 0.00 C ATOM 449 CZ PHE A 28 -14.377 2.343 2.477 1.00 0.00 C ATOM 0 H PHE A 28 -16.338 1.287 5.939 1.00 0.00 H new ATOM 0 HA PHE A 28 -18.633 0.047 4.672 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -15.971 -1.289 5.086 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -17.060 -1.385 3.716 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -14.614 0.774 5.438 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -16.891 0.179 1.895 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -13.323 2.533 4.323 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -15.592 1.933 0.765 1.00 0.00 H new ATOM 0 HZ PHE A 28 -13.808 3.117 1.984 1.00 0.00 H new ATOM 459 N GLY A 29 -19.445 -1.452 6.441 1.00 0.00 N ATOM 460 CA GLY A 29 -19.946 -2.367 7.455 1.00 0.00 C ATOM 461 C GLY A 29 -19.181 -3.676 7.506 1.00 0.00 C ATOM 462 O GLY A 29 -18.122 -3.808 6.897 1.00 0.00 O ATOM 0 H GLY A 29 -20.148 -1.122 5.780 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -19.892 -1.884 8.430 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -20.998 -2.575 7.260 1.00 0.00 H new ATOM 466 N PHE A 30 -19.724 -4.646 8.238 1.00 0.00 N ATOM 467 CA PHE A 30 -19.084 -5.954 8.368 1.00 0.00 C ATOM 468 C PHE A 30 -19.015 -6.650 7.015 1.00 0.00 C ATOM 469 O PHE A 30 -17.935 -6.847 6.459 1.00 0.00 O ATOM 470 CB PHE A 30 -19.840 -6.843 9.364 1.00 0.00 C ATOM 471 CG PHE A 30 -20.551 -6.087 10.451 1.00 0.00 C ATOM 472 CD1 PHE A 30 -19.867 -5.657 11.577 1.00 0.00 C ATOM 473 CD2 PHE A 30 -21.903 -5.806 10.344 1.00 0.00 C ATOM 474 CE1 PHE A 30 -20.520 -4.962 12.576 1.00 0.00 C ATOM 475 CE2 PHE A 30 -22.562 -5.112 11.340 1.00 0.00 C ATOM 476 CZ PHE A 30 -21.869 -4.689 12.458 1.00 0.00 C ATOM 0 H PHE A 30 -20.602 -4.552 8.749 1.00 0.00 H new ATOM 0 HA PHE A 30 -18.073 -5.792 8.743 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -20.569 -7.442 8.818 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -19.135 -7.537 9.821 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -18.812 -5.868 11.674 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -22.449 -6.133 9.471 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -19.976 -4.632 13.449 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -23.617 -4.900 11.245 1.00 0.00 H new ATOM 0 HZ PHE A 30 -22.381 -4.146 13.238 1.00 0.00 H new ATOM 486 N PHE A 31 -20.179 -7.019 6.490 1.00 0.00 N ATOM 487 CA PHE A 31 -20.259 -7.690 5.199 1.00 0.00 C ATOM 488 C PHE A 31 -19.614 -6.838 4.113 1.00 0.00 C ATOM 489 O PHE A 31 -19.046 -7.360 3.153 1.00 0.00 O ATOM 490 CB PHE A 31 -21.718 -7.982 4.841 1.00 0.00 C ATOM 491 CG PHE A 31 -22.528 -8.505 5.994 1.00 0.00 C ATOM 492 CD1 PHE A 31 -22.041 -9.527 6.793 1.00 0.00 C ATOM 493 CD2 PHE A 31 -23.776 -7.974 6.278 1.00 0.00 C ATOM 494 CE1 PHE A 31 -22.784 -10.010 7.853 1.00 0.00 C ATOM 495 CE2 PHE A 31 -24.524 -8.454 7.337 1.00 0.00 C ATOM 496 CZ PHE A 31 -24.027 -9.472 8.126 1.00 0.00 C ATOM 0 H PHE A 31 -21.081 -6.864 6.940 1.00 0.00 H new ATOM 0 HA PHE A 31 -19.718 -8.634 5.268 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -22.181 -7.069 4.467 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -21.746 -8.709 4.029 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -21.070 -9.951 6.585 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -24.169 -7.176 5.665 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -22.393 -10.807 8.468 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -25.496 -8.033 7.547 1.00 0.00 H new ATOM 0 HZ PHE A 31 -24.609 -9.847 8.955 1.00 0.00 H new ATOM 506 N GLU A 32 -19.702 -5.521 4.276 1.00 0.00 N ATOM 507 CA GLU A 32 -19.121 -4.593 3.316 1.00 0.00 C ATOM 508 C GLU A 32 -17.602 -4.568 3.450 1.00 0.00 C ATOM 509 O GLU A 32 -16.881 -4.491 2.458 1.00 0.00 O ATOM 510 CB GLU A 32 -19.690 -3.187 3.525 1.00 0.00 C ATOM 511 CG GLU A 32 -20.155 -2.522 2.241 1.00 0.00 C ATOM 512 CD GLU A 32 -20.310 -1.021 2.384 1.00 0.00 C ATOM 513 OE1 GLU A 32 -20.468 -0.547 3.530 1.00 0.00 O ATOM 514 OE2 GLU A 32 -20.274 -0.319 1.352 1.00 0.00 O ATOM 0 H GLU A 32 -20.170 -5.074 5.064 1.00 0.00 H new ATOM 0 HA GLU A 32 -19.377 -4.931 2.312 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -20.528 -3.243 4.220 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -18.929 -2.562 3.993 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -19.440 -2.735 1.446 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -21.108 -2.954 1.937 1.00 0.00 H new ATOM 521 N ARG A 33 -17.124 -4.640 4.689 1.00 0.00 N ATOM 522 CA ARG A 33 -15.691 -4.632 4.962 1.00 0.00 C ATOM 523 C ARG A 33 -14.984 -5.738 4.186 1.00 0.00 C ATOM 524 O ARG A 33 -13.871 -5.553 3.692 1.00 0.00 O ATOM 525 CB ARG A 33 -15.443 -4.804 6.463 1.00 0.00 C ATOM 526 CG ARG A 33 -13.973 -4.832 6.842 1.00 0.00 C ATOM 527 CD ARG A 33 -13.759 -5.479 8.201 1.00 0.00 C ATOM 528 NE ARG A 33 -12.342 -5.562 8.550 1.00 0.00 N ATOM 529 CZ ARG A 33 -11.890 -5.703 9.794 1.00 0.00 C ATOM 530 NH1 ARG A 33 -12.739 -5.778 10.813 1.00 0.00 N ATOM 531 NH2 ARG A 33 -10.586 -5.770 10.022 1.00 0.00 N ATOM 0 H ARG A 33 -17.710 -4.705 5.521 1.00 0.00 H new ATOM 0 HA ARG A 33 -15.285 -3.673 4.639 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -15.931 -3.989 6.998 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -15.912 -5.730 6.796 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -13.412 -5.380 6.085 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -13.581 -3.815 6.856 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.287 -4.906 8.963 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -14.191 -6.480 8.198 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.658 -5.509 7.795 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.744 -5.728 10.644 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.386 -5.886 11.764 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.929 -5.713 9.244 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -10.240 -5.878 10.975 1.00 0.00 H new ATOM 545 N SER A 34 -15.639 -6.889 4.081 1.00 0.00 N ATOM 546 CA SER A 34 -15.076 -8.028 3.365 1.00 0.00 C ATOM 547 C SER A 34 -15.075 -7.777 1.860 1.00 0.00 C ATOM 548 O SER A 34 -14.065 -7.984 1.186 1.00 0.00 O ATOM 549 CB SER A 34 -15.871 -9.296 3.682 1.00 0.00 C ATOM 550 OG SER A 34 -15.227 -10.447 3.163 1.00 0.00 O ATOM 0 H SER A 34 -16.561 -7.058 4.483 1.00 0.00 H new ATOM 0 HA SER A 34 -14.045 -8.161 3.693 1.00 0.00 H new ATOM 0 HB2 SER A 34 -15.986 -9.396 4.761 1.00 0.00 H new ATOM 0 HB3 SER A 34 -16.873 -9.215 3.260 1.00 0.00 H new ATOM 0 HG SER A 34 -15.755 -11.243 3.381 1.00 0.00 H new ATOM 556 N SER A 35 -16.213 -7.331 1.340 1.00 0.00 N ATOM 557 CA SER A 35 -16.344 -7.054 -0.086 1.00 0.00 C ATOM 558 C SER A 35 -15.394 -5.940 -0.517 1.00 0.00 C ATOM 559 O SER A 35 -14.586 -6.120 -1.430 1.00 0.00 O ATOM 560 CB SER A 35 -17.786 -6.670 -0.424 1.00 0.00 C ATOM 561 OG SER A 35 -18.182 -5.506 0.279 1.00 0.00 O ATOM 0 H SER A 35 -17.058 -7.154 1.884 1.00 0.00 H new ATOM 0 HA SER A 35 -16.080 -7.961 -0.630 1.00 0.00 H new ATOM 0 HB2 SER A 35 -17.878 -6.500 -1.497 1.00 0.00 H new ATOM 0 HB3 SER A 35 -18.453 -7.495 -0.173 1.00 0.00 H new ATOM 0 HG SER A 35 -19.106 -5.281 0.044 1.00 0.00 H new ATOM 567 N VAL A 36 -15.490 -4.789 0.143 1.00 0.00 N ATOM 568 CA VAL A 36 -14.630 -3.660 -0.188 1.00 0.00 C ATOM 569 C VAL A 36 -13.165 -4.054 -0.084 1.00 0.00 C ATOM 570 O VAL A 36 -12.348 -3.656 -0.910 1.00 0.00 O ATOM 571 CB VAL A 36 -14.876 -2.433 0.713 1.00 0.00 C ATOM 572 CG1 VAL A 36 -14.295 -1.191 0.062 1.00 0.00 C ATOM 573 CG2 VAL A 36 -16.358 -2.244 1.004 1.00 0.00 C ATOM 0 H VAL A 36 -16.148 -4.615 0.903 1.00 0.00 H new ATOM 0 HA VAL A 36 -14.879 -3.383 -1.212 1.00 0.00 H new ATOM 0 HB VAL A 36 -14.376 -2.603 1.666 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -14.472 -0.327 0.703 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -13.223 -1.323 -0.081 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.773 -1.029 -0.904 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -16.495 -1.371 1.641 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -16.897 -2.098 0.068 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.745 -3.128 1.511 1.00 0.00 H new ATOM 583 N GLY A 37 -12.835 -4.853 0.928 1.00 0.00 N ATOM 584 CA GLY A 37 -11.463 -5.291 1.091 1.00 0.00 C ATOM 585 C GLY A 37 -10.956 -5.977 -0.153 1.00 0.00 C ATOM 586 O GLY A 37 -9.883 -5.650 -0.661 1.00 0.00 O ATOM 0 H GLY A 37 -13.487 -5.201 1.631 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.830 -4.434 1.320 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.395 -5.973 1.939 1.00 0.00 H new ATOM 590 N GLN A 38 -11.749 -6.911 -0.668 1.00 0.00 N ATOM 591 CA GLN A 38 -11.389 -7.615 -1.887 1.00 0.00 C ATOM 592 C GLN A 38 -11.196 -6.605 -3.009 1.00 0.00 C ATOM 593 O GLN A 38 -10.372 -6.794 -3.902 1.00 0.00 O ATOM 594 CB GLN A 38 -12.474 -8.626 -2.265 1.00 0.00 C ATOM 595 CG GLN A 38 -12.145 -9.433 -3.511 1.00 0.00 C ATOM 596 CD GLN A 38 -11.072 -10.475 -3.265 1.00 0.00 C ATOM 597 OE1 GLN A 38 -11.361 -11.665 -3.143 1.00 0.00 O ATOM 598 NE2 GLN A 38 -9.823 -10.031 -3.188 1.00 0.00 N ATOM 0 H GLN A 38 -12.640 -7.195 -0.261 1.00 0.00 H new ATOM 0 HA GLN A 38 -10.460 -8.161 -1.724 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -12.629 -9.309 -1.430 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -13.414 -8.096 -2.423 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -13.049 -9.925 -3.869 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.816 -8.757 -4.300 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -9.628 -9.036 -3.295 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.058 -10.685 -3.022 1.00 0.00 H new ATOM 607 N PHE A 39 -11.958 -5.514 -2.936 1.00 0.00 N ATOM 608 CA PHE A 39 -11.871 -4.451 -3.925 1.00 0.00 C ATOM 609 C PHE A 39 -10.542 -3.714 -3.802 1.00 0.00 C ATOM 610 O PHE A 39 -9.787 -3.602 -4.770 1.00 0.00 O ATOM 611 CB PHE A 39 -13.031 -3.466 -3.757 1.00 0.00 C ATOM 612 CG PHE A 39 -13.126 -2.458 -4.867 1.00 0.00 C ATOM 613 CD1 PHE A 39 -13.686 -2.802 -6.086 1.00 0.00 C ATOM 614 CD2 PHE A 39 -12.656 -1.167 -4.688 1.00 0.00 C ATOM 615 CE1 PHE A 39 -13.775 -1.875 -7.108 1.00 0.00 C ATOM 616 CE2 PHE A 39 -12.741 -0.237 -5.705 1.00 0.00 C ATOM 617 CZ PHE A 39 -13.302 -0.591 -6.917 1.00 0.00 C ATOM 0 H PHE A 39 -12.643 -5.347 -2.199 1.00 0.00 H new ATOM 0 HA PHE A 39 -11.933 -4.902 -4.916 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.966 -4.024 -3.702 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -12.917 -2.941 -2.809 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -14.057 -3.805 -6.240 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -12.218 -0.885 -3.742 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -14.214 -2.154 -8.055 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -12.370 0.766 -5.553 1.00 0.00 H new ATOM 0 HZ PHE A 39 -13.371 0.135 -7.714 1.00 0.00 H new ATOM 627 N MET A 40 -10.265 -3.205 -2.605 1.00 0.00 N ATOM 628 CA MET A 40 -9.035 -2.465 -2.356 1.00 0.00 C ATOM 629 C MET A 40 -7.793 -3.314 -2.624 1.00 0.00 C ATOM 630 O MET A 40 -6.906 -2.906 -3.374 1.00 0.00 O ATOM 631 CB MET A 40 -8.999 -1.917 -0.928 1.00 0.00 C ATOM 632 CG MET A 40 -9.370 -2.930 0.139 1.00 0.00 C ATOM 633 SD MET A 40 -9.706 -2.159 1.736 1.00 0.00 S ATOM 634 CE MET A 40 -10.941 -0.947 1.276 1.00 0.00 C ATOM 0 H MET A 40 -10.876 -3.292 -1.793 1.00 0.00 H new ATOM 0 HA MET A 40 -9.026 -1.627 -3.053 1.00 0.00 H new ATOM 0 HB2 MET A 40 -7.998 -1.539 -0.721 1.00 0.00 H new ATOM 0 HB3 MET A 40 -9.680 -1.069 -0.860 1.00 0.00 H new ATOM 0 HG2 MET A 40 -10.249 -3.488 -0.184 1.00 0.00 H new ATOM 0 HG3 MET A 40 -8.559 -3.650 0.250 1.00 0.00 H new ATOM 0 HE1 MET A 40 -11.613 -0.775 2.117 1.00 0.00 H new ATOM 0 HE2 MET A 40 -10.450 -0.012 1.006 1.00 0.00 H new ATOM 0 HE3 MET A 40 -11.513 -1.316 0.425 1.00 0.00 H new ATOM 644 N THR A 41 -7.722 -4.486 -2.002 1.00 0.00 N ATOM 645 CA THR A 41 -6.575 -5.371 -2.176 1.00 0.00 C ATOM 646 C THR A 41 -6.386 -5.758 -3.639 1.00 0.00 C ATOM 647 O THR A 41 -5.351 -5.466 -4.233 1.00 0.00 O ATOM 648 CB THR A 41 -6.746 -6.628 -1.327 1.00 0.00 C ATOM 649 OG1 THR A 41 -7.545 -6.362 -0.187 1.00 0.00 O ATOM 650 CG2 THR A 41 -5.434 -7.209 -0.846 1.00 0.00 C ATOM 0 H THR A 41 -8.442 -4.845 -1.375 1.00 0.00 H new ATOM 0 HA THR A 41 -5.686 -4.831 -1.850 1.00 0.00 H new ATOM 0 HB THR A 41 -7.227 -7.354 -1.982 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.488 -6.513 -0.406 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.628 -8.100 -0.249 1.00 0.00 H new ATOM 0 HG22 THR A 41 -4.817 -7.475 -1.705 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.911 -6.471 -0.238 1.00 0.00 H new ATOM 658 N PHE A 42 -7.390 -6.417 -4.218 1.00 0.00 N ATOM 659 CA PHE A 42 -7.328 -6.841 -5.615 1.00 0.00 C ATOM 660 C PHE A 42 -6.808 -5.710 -6.498 1.00 0.00 C ATOM 661 O PHE A 42 -6.079 -5.940 -7.464 1.00 0.00 O ATOM 662 CB PHE A 42 -8.707 -7.291 -6.100 1.00 0.00 C ATOM 663 CG PHE A 42 -8.665 -8.095 -7.368 1.00 0.00 C ATOM 664 CD1 PHE A 42 -8.330 -7.498 -8.573 1.00 0.00 C ATOM 665 CD2 PHE A 42 -8.958 -9.450 -7.354 1.00 0.00 C ATOM 666 CE1 PHE A 42 -8.290 -8.238 -9.740 1.00 0.00 C ATOM 667 CE2 PHE A 42 -8.919 -10.194 -8.518 1.00 0.00 C ATOM 668 CZ PHE A 42 -8.585 -9.587 -9.713 1.00 0.00 C ATOM 0 H PHE A 42 -8.256 -6.668 -3.740 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.639 -7.683 -5.684 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.182 -7.884 -5.319 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -9.332 -6.412 -6.257 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.098 -6.444 -8.601 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -9.220 -9.930 -6.423 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.028 -7.761 -10.673 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.149 -11.249 -8.493 1.00 0.00 H new ATOM 0 HZ PHE A 42 -8.555 -10.166 -10.624 1.00 0.00 H new ATOM 678 N PHE A 43 -7.176 -4.486 -6.144 1.00 0.00 N ATOM 679 CA PHE A 43 -6.736 -3.316 -6.888 1.00 0.00 C ATOM 680 C PHE A 43 -5.284 -2.992 -6.554 1.00 0.00 C ATOM 681 O PHE A 43 -4.509 -2.611 -7.429 1.00 0.00 O ATOM 682 CB PHE A 43 -7.632 -2.116 -6.573 1.00 0.00 C ATOM 683 CG PHE A 43 -7.877 -1.219 -7.753 1.00 0.00 C ATOM 684 CD1 PHE A 43 -8.159 -1.751 -9.002 1.00 0.00 C ATOM 685 CD2 PHE A 43 -7.825 0.159 -7.613 1.00 0.00 C ATOM 686 CE1 PHE A 43 -8.383 -0.926 -10.087 1.00 0.00 C ATOM 687 CE2 PHE A 43 -8.049 0.989 -8.695 1.00 0.00 C ATOM 688 CZ PHE A 43 -8.329 0.446 -9.934 1.00 0.00 C ATOM 0 H PHE A 43 -7.778 -4.279 -5.347 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.809 -3.535 -7.953 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.589 -2.477 -6.198 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.175 -1.533 -5.773 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.204 -2.823 -9.128 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.607 0.589 -6.647 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.600 -1.353 -11.055 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.005 2.061 -8.572 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.505 1.092 -10.781 1.00 0.00 H new ATOM 698 N ALA A 44 -4.922 -3.153 -5.282 1.00 0.00 N ATOM 699 CA ALA A 44 -3.560 -2.882 -4.828 1.00 0.00 C ATOM 700 C ALA A 44 -2.578 -3.893 -5.413 1.00 0.00 C ATOM 701 O ALA A 44 -1.437 -3.555 -5.745 1.00 0.00 O ATOM 702 CB ALA A 44 -3.501 -2.894 -3.311 1.00 0.00 C ATOM 0 H ALA A 44 -5.554 -3.470 -4.547 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.271 -1.892 -5.181 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.481 -2.691 -2.985 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.168 -2.128 -2.915 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.812 -3.872 -2.943 1.00 0.00 H new ATOM 708 N GLU A 45 -3.032 -5.129 -5.555 1.00 0.00 N ATOM 709 CA GLU A 45 -2.202 -6.177 -6.123 1.00 0.00 C ATOM 710 C GLU A 45 -2.031 -5.928 -7.616 1.00 0.00 C ATOM 711 O GLU A 45 -0.951 -6.117 -8.173 1.00 0.00 O ATOM 712 CB GLU A 45 -2.832 -7.549 -5.875 1.00 0.00 C ATOM 713 CG GLU A 45 -4.200 -7.704 -6.506 1.00 0.00 C ATOM 714 CD GLU A 45 -4.726 -9.123 -6.420 1.00 0.00 C ATOM 715 OE1 GLU A 45 -4.827 -9.650 -5.292 1.00 0.00 O ATOM 716 OE2 GLU A 45 -5.037 -9.706 -7.479 1.00 0.00 O ATOM 0 H GLU A 45 -3.969 -5.429 -5.285 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.223 -6.164 -5.643 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.170 -8.321 -6.266 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.914 -7.714 -4.801 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.901 -7.030 -6.014 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.149 -7.402 -7.552 1.00 0.00 H new ATOM 723 N THR A 46 -3.105 -5.475 -8.255 1.00 0.00 N ATOM 724 CA THR A 46 -3.071 -5.172 -9.678 1.00 0.00 C ATOM 725 C THR A 46 -2.029 -4.091 -9.950 1.00 0.00 C ATOM 726 O THR A 46 -1.123 -4.280 -10.759 1.00 0.00 O ATOM 727 CB THR A 46 -4.460 -4.727 -10.156 1.00 0.00 C ATOM 728 OG1 THR A 46 -5.237 -5.848 -10.541 1.00 0.00 O ATOM 729 CG2 THR A 46 -4.433 -3.769 -11.331 1.00 0.00 C ATOM 0 H THR A 46 -4.007 -5.310 -7.809 1.00 0.00 H new ATOM 0 HA THR A 46 -2.793 -6.069 -10.232 1.00 0.00 H new ATOM 0 HB THR A 46 -4.895 -4.206 -9.303 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.733 -6.184 -9.765 1.00 0.00 H new ATOM 0 HG21 THR A 46 -5.453 -3.503 -11.607 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.886 -2.868 -11.053 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.940 -4.246 -12.178 1.00 0.00 H new ATOM 737 N VAL A 47 -2.159 -2.960 -9.257 1.00 0.00 N ATOM 738 CA VAL A 47 -1.214 -1.852 -9.423 1.00 0.00 C ATOM 739 C VAL A 47 0.213 -2.351 -9.384 1.00 0.00 C ATOM 740 O VAL A 47 0.943 -2.221 -10.363 1.00 0.00 O ATOM 741 CB VAL A 47 -1.364 -0.754 -8.349 1.00 0.00 C ATOM 742 CG1 VAL A 47 -1.960 0.496 -8.934 1.00 0.00 C ATOM 743 CG2 VAL A 47 -2.200 -1.203 -7.179 1.00 0.00 C ATOM 0 H VAL A 47 -2.902 -2.786 -8.580 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.449 -1.416 -10.394 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.358 -0.544 -7.986 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.054 1.253 -8.155 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.313 0.870 -9.728 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.945 0.272 -9.344 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.274 -0.394 -6.453 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.198 -1.471 -7.526 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.734 -2.070 -6.710 1.00 0.00 H new ATOM 753 N ALA A 48 0.613 -2.942 -8.262 1.00 0.00 N ATOM 754 CA ALA A 48 1.964 -3.468 -8.155 1.00 0.00 C ATOM 755 C ALA A 48 2.261 -4.346 -9.368 1.00 0.00 C ATOM 756 O ALA A 48 3.401 -4.436 -9.824 1.00 0.00 O ATOM 757 CB ALA A 48 2.148 -4.229 -6.854 1.00 0.00 C ATOM 0 H ALA A 48 0.033 -3.066 -7.432 1.00 0.00 H new ATOM 0 HA ALA A 48 2.674 -2.641 -8.142 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.167 -4.613 -6.798 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.965 -3.561 -6.013 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.445 -5.061 -6.816 1.00 0.00 H new ATOM 763 N SER A 49 1.206 -4.965 -9.906 1.00 0.00 N ATOM 764 CA SER A 49 1.329 -5.807 -11.085 1.00 0.00 C ATOM 765 C SER A 49 1.541 -4.939 -12.326 1.00 0.00 C ATOM 766 O SER A 49 2.352 -5.267 -13.191 1.00 0.00 O ATOM 767 CB SER A 49 0.081 -6.684 -11.250 1.00 0.00 C ATOM 768 OG SER A 49 -0.767 -6.197 -12.278 1.00 0.00 O ATOM 0 H SER A 49 0.257 -4.894 -9.538 1.00 0.00 H new ATOM 0 HA SER A 49 2.192 -6.461 -10.962 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.382 -7.706 -11.479 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.468 -6.717 -10.309 1.00 0.00 H new ATOM 0 HG SER A 49 -1.328 -5.475 -11.925 1.00 0.00 H new ATOM 774 N ARG A 50 0.820 -3.815 -12.397 1.00 0.00 N ATOM 775 CA ARG A 50 0.956 -2.897 -13.526 1.00 0.00 C ATOM 776 C ARG A 50 2.247 -2.109 -13.401 1.00 0.00 C ATOM 777 O ARG A 50 2.874 -1.760 -14.401 1.00 0.00 O ATOM 778 CB ARG A 50 -0.223 -1.921 -13.624 1.00 0.00 C ATOM 779 CG ARG A 50 -1.574 -2.512 -13.251 1.00 0.00 C ATOM 780 CD ARG A 50 -2.416 -1.515 -12.465 1.00 0.00 C ATOM 781 NE ARG A 50 -3.592 -1.083 -13.216 1.00 0.00 N ATOM 782 CZ ARG A 50 -4.693 -0.589 -12.653 1.00 0.00 C ATOM 783 NH1 ARG A 50 -4.778 -0.465 -11.335 1.00 0.00 N ATOM 784 NH2 ARG A 50 -5.715 -0.219 -13.414 1.00 0.00 N ATOM 0 H ARG A 50 0.143 -3.523 -11.692 1.00 0.00 H new ATOM 0 HA ARG A 50 0.969 -3.502 -14.433 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.024 -1.067 -12.976 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.278 -1.541 -14.644 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.106 -2.808 -14.155 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.427 -3.415 -12.658 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.732 -1.968 -11.525 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.808 -0.647 -12.212 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.568 -1.165 -14.232 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.996 -0.749 -10.745 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.625 -0.086 -10.912 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.656 -0.313 -14.428 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.559 0.160 -12.985 1.00 0.00 H new ATOM 798 N THR A 51 2.644 -1.839 -12.165 1.00 0.00 N ATOM 799 CA THR A 51 3.862 -1.105 -11.913 1.00 0.00 C ATOM 800 C THR A 51 5.055 -2.007 -12.202 1.00 0.00 C ATOM 801 O THR A 51 5.343 -2.937 -11.448 1.00 0.00 O ATOM 802 CB THR A 51 3.870 -0.608 -10.465 1.00 0.00 C ATOM 803 OG1 THR A 51 2.757 0.230 -10.236 1.00 0.00 O ATOM 804 CG2 THR A 51 5.110 0.173 -10.092 1.00 0.00 C ATOM 0 H THR A 51 2.136 -2.120 -11.326 1.00 0.00 H new ATOM 0 HA THR A 51 3.924 -0.234 -12.566 1.00 0.00 H new ATOM 0 HB THR A 51 3.840 -1.507 -9.850 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.167 -0.184 -9.572 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.041 0.491 -9.052 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.990 -0.458 -10.221 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.195 1.050 -10.734 1.00 0.00 H new ATOM 812 N GLY A 52 5.728 -1.739 -13.314 1.00 0.00 N ATOM 813 CA GLY A 52 6.868 -2.549 -13.712 1.00 0.00 C ATOM 814 C GLY A 52 8.157 -2.167 -13.012 1.00 0.00 C ATOM 815 O GLY A 52 9.226 -2.193 -13.621 1.00 0.00 O ATOM 0 H GLY A 52 5.505 -0.973 -13.950 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.649 -3.597 -13.505 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.009 -2.459 -14.789 1.00 0.00 H new ATOM 819 N ALA A 53 8.063 -1.828 -11.733 1.00 0.00 N ATOM 820 CA ALA A 53 9.241 -1.456 -10.958 1.00 0.00 C ATOM 821 C ALA A 53 9.941 -0.237 -11.549 1.00 0.00 C ATOM 822 O ALA A 53 9.931 -0.029 -12.762 1.00 0.00 O ATOM 823 CB ALA A 53 10.207 -2.626 -10.877 1.00 0.00 C ATOM 0 H ALA A 53 7.187 -1.803 -11.211 1.00 0.00 H new ATOM 0 HA ALA A 53 8.908 -1.194 -9.954 1.00 0.00 H new ATOM 0 HB1 ALA A 53 11.082 -2.336 -10.296 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.715 -3.471 -10.395 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.517 -2.912 -11.882 1.00 0.00 H new ATOM 829 N GLY A 54 10.547 0.567 -10.682 1.00 0.00 N ATOM 830 CA GLY A 54 11.243 1.754 -11.136 1.00 0.00 C ATOM 831 C GLY A 54 10.296 2.884 -11.482 1.00 0.00 C ATOM 832 O GLY A 54 10.722 3.929 -11.972 1.00 0.00 O ATOM 0 H GLY A 54 10.568 0.417 -9.673 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.932 2.086 -10.360 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.844 1.507 -12.011 1.00 0.00 H new ATOM 836 N GLU A 55 9.007 2.677 -11.230 1.00 0.00 N ATOM 837 CA GLU A 55 8.008 3.693 -11.523 1.00 0.00 C ATOM 838 C GLU A 55 6.923 3.729 -10.453 1.00 0.00 C ATOM 839 O GLU A 55 6.790 2.802 -9.653 1.00 0.00 O ATOM 840 CB GLU A 55 7.380 3.440 -12.894 1.00 0.00 C ATOM 841 CG GLU A 55 6.966 1.994 -13.116 1.00 0.00 C ATOM 842 CD GLU A 55 5.759 1.866 -14.026 1.00 0.00 C ATOM 843 OE1 GLU A 55 4.712 2.469 -13.711 1.00 0.00 O ATOM 844 OE2 GLU A 55 5.864 1.165 -15.054 1.00 0.00 O ATOM 0 H GLU A 55 8.633 1.818 -10.825 1.00 0.00 H new ATOM 0 HA GLU A 55 8.510 4.661 -11.531 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.506 4.081 -13.008 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.090 3.729 -13.669 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.802 1.443 -13.547 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.742 1.532 -12.154 1.00 0.00 H new ATOM 851 N ARG A 56 6.147 4.808 -10.448 1.00 0.00 N ATOM 852 CA ARG A 56 5.067 4.976 -9.482 1.00 0.00 C ATOM 853 C ARG A 56 3.726 5.110 -10.197 1.00 0.00 C ATOM 854 O ARG A 56 3.646 5.690 -11.279 1.00 0.00 O ATOM 855 CB ARG A 56 5.321 6.208 -8.611 1.00 0.00 C ATOM 856 CG ARG A 56 5.493 7.491 -9.407 1.00 0.00 C ATOM 857 CD ARG A 56 6.728 8.261 -8.971 1.00 0.00 C ATOM 858 NE ARG A 56 7.291 9.054 -10.061 1.00 0.00 N ATOM 859 CZ ARG A 56 8.123 10.078 -9.882 1.00 0.00 C ATOM 860 NH1 ARG A 56 8.492 10.437 -8.658 1.00 0.00 N ATOM 861 NH2 ARG A 56 8.588 10.745 -10.929 1.00 0.00 N ATOM 0 H ARG A 56 6.247 5.582 -11.105 1.00 0.00 H new ATOM 0 HA ARG A 56 5.036 4.093 -8.844 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.489 6.330 -7.917 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.215 6.040 -8.011 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.568 7.254 -10.468 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.610 8.118 -9.282 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.471 8.918 -8.140 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.480 7.562 -8.605 1.00 0.00 H new ATOM 0 HE ARG A 56 7.031 8.809 -11.016 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.138 9.927 -7.848 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.130 11.222 -8.527 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.308 10.474 -11.872 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.225 11.529 -10.792 1.00 0.00 H new ATOM 875 N GLN A 57 2.674 4.570 -9.589 1.00 0.00 N ATOM 876 CA GLN A 57 1.340 4.635 -10.181 1.00 0.00 C ATOM 877 C GLN A 57 0.340 5.297 -9.242 1.00 0.00 C ATOM 878 O GLN A 57 0.528 5.331 -8.027 1.00 0.00 O ATOM 879 CB GLN A 57 0.822 3.235 -10.537 1.00 0.00 C ATOM 880 CG GLN A 57 1.556 2.577 -11.693 1.00 0.00 C ATOM 881 CD GLN A 57 0.896 1.282 -12.128 1.00 0.00 C ATOM 882 OE1 GLN A 57 0.805 0.987 -13.319 1.00 0.00 O ATOM 883 NE2 GLN A 57 0.429 0.502 -11.157 1.00 0.00 N ATOM 0 H GLN A 57 2.717 4.085 -8.693 1.00 0.00 H new ATOM 0 HA GLN A 57 1.433 5.234 -11.087 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.903 2.595 -9.658 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.237 3.304 -10.785 1.00 0.00 H new ATOM 0 HG2 GLN A 57 1.592 3.266 -12.537 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.587 2.377 -11.400 1.00 0.00 H new ATOM 0 HE21 GLN A 57 0.527 0.787 -10.182 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -0.027 -0.381 -11.387 1.00 0.00 H new ATOM 892 N SER A 58 -0.742 5.784 -9.829 1.00 0.00 N ATOM 893 CA SER A 58 -1.816 6.410 -9.091 1.00 0.00 C ATOM 894 C SER A 58 -3.125 6.078 -9.794 1.00 0.00 C ATOM 895 O SER A 58 -3.442 6.641 -10.841 1.00 0.00 O ATOM 896 CB SER A 58 -1.617 7.924 -9.011 1.00 0.00 C ATOM 897 OG SER A 58 -0.257 8.271 -9.209 1.00 0.00 O ATOM 0 H SER A 58 -0.896 5.753 -10.837 1.00 0.00 H new ATOM 0 HA SER A 58 -1.831 6.033 -8.068 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.234 8.415 -9.763 1.00 0.00 H new ATOM 0 HB3 SER A 58 -1.950 8.287 -8.039 1.00 0.00 H new ATOM 0 HG SER A 58 -0.156 9.244 -9.155 1.00 0.00 H new ATOM 903 N ILE A 59 -3.861 5.133 -9.231 1.00 0.00 N ATOM 904 CA ILE A 59 -5.121 4.688 -9.823 1.00 0.00 C ATOM 905 C ILE A 59 -6.312 5.404 -9.209 1.00 0.00 C ATOM 906 O ILE A 59 -6.732 5.091 -8.097 1.00 0.00 O ATOM 907 CB ILE A 59 -5.320 3.156 -9.677 1.00 0.00 C ATOM 908 CG1 ILE A 59 -4.286 2.564 -8.720 1.00 0.00 C ATOM 909 CG2 ILE A 59 -5.226 2.472 -11.032 1.00 0.00 C ATOM 910 CD1 ILE A 59 -4.690 1.235 -8.130 1.00 0.00 C ATOM 0 H ILE A 59 -3.611 4.657 -8.364 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.062 4.936 -10.883 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.314 2.984 -9.265 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.342 2.443 -9.251 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.108 3.271 -7.910 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.368 1.398 -10.908 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.998 2.866 -11.693 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.245 2.660 -11.467 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.905 0.880 -7.462 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.618 1.352 -7.570 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.839 0.511 -8.931 1.00 0.00 H new ATOM 922 N GLU A 60 -6.859 6.353 -9.955 1.00 0.00 N ATOM 923 CA GLU A 60 -8.015 7.119 -9.504 1.00 0.00 C ATOM 924 C GLU A 60 -9.291 6.575 -10.133 1.00 0.00 C ATOM 925 O GLU A 60 -9.458 6.613 -11.352 1.00 0.00 O ATOM 926 CB GLU A 60 -7.848 8.598 -9.861 1.00 0.00 C ATOM 927 CG GLU A 60 -6.463 9.147 -9.557 1.00 0.00 C ATOM 928 CD GLU A 60 -5.864 9.902 -10.728 1.00 0.00 C ATOM 929 OE1 GLU A 60 -6.110 9.496 -11.884 1.00 0.00 O ATOM 930 OE2 GLU A 60 -5.150 10.898 -10.490 1.00 0.00 O ATOM 0 H GLU A 60 -6.519 6.613 -10.881 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.088 7.024 -8.421 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.058 8.733 -10.922 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.589 9.181 -9.313 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.521 9.810 -8.694 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.802 8.324 -9.284 1.00 0.00 H new ATOM 937 N GLU A 61 -10.187 6.058 -9.299 1.00 0.00 N ATOM 938 CA GLU A 61 -11.443 5.496 -9.793 1.00 0.00 C ATOM 939 C GLU A 61 -12.653 6.085 -9.070 1.00 0.00 C ATOM 940 O GLU A 61 -12.958 5.702 -7.941 1.00 0.00 O ATOM 941 CB GLU A 61 -11.436 3.974 -9.635 1.00 0.00 C ATOM 942 CG GLU A 61 -12.345 3.257 -10.620 1.00 0.00 C ATOM 943 CD GLU A 61 -11.977 1.796 -10.793 1.00 0.00 C ATOM 944 OE1 GLU A 61 -10.938 1.517 -11.428 1.00 0.00 O ATOM 945 OE2 GLU A 61 -12.728 0.931 -10.296 1.00 0.00 O ATOM 0 H GLU A 61 -10.071 6.015 -8.287 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.526 5.755 -10.848 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.417 3.608 -9.761 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.742 3.721 -8.620 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -13.377 3.330 -10.277 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.295 3.758 -11.587 1.00 0.00 H new ATOM 952 N GLY A 62 -13.343 7.005 -9.741 1.00 0.00 N ATOM 953 CA GLY A 62 -14.524 7.637 -9.173 1.00 0.00 C ATOM 954 C GLY A 62 -14.199 8.503 -7.977 1.00 0.00 C ATOM 955 O GLY A 62 -14.418 9.715 -7.991 1.00 0.00 O ATOM 0 H GLY A 62 -13.102 7.327 -10.678 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -15.009 8.245 -9.936 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.237 6.868 -8.877 1.00 0.00 H new ATOM 959 N ASN A 63 -13.673 7.872 -6.943 1.00 0.00 N ATOM 960 CA ASN A 63 -13.301 8.563 -5.716 1.00 0.00 C ATOM 961 C ASN A 63 -12.303 7.732 -4.916 1.00 0.00 C ATOM 962 O ASN A 63 -12.204 7.865 -3.695 1.00 0.00 O ATOM 963 CB ASN A 63 -14.543 8.848 -4.868 1.00 0.00 C ATOM 964 CG ASN A 63 -15.259 7.579 -4.447 1.00 0.00 C ATOM 965 OD1 ASN A 63 -15.203 7.178 -3.284 1.00 0.00 O ATOM 966 ND2 ASN A 63 -15.939 6.942 -5.392 1.00 0.00 N ATOM 0 H ASN A 63 -13.491 6.869 -6.927 1.00 0.00 H new ATOM 0 HA ASN A 63 -12.832 9.510 -5.984 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -14.252 9.410 -3.980 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -15.229 9.478 -5.434 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -16.443 6.084 -5.167 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -15.958 7.311 -6.343 1.00 0.00 H new ATOM 973 N TYR A 64 -11.564 6.874 -5.614 1.00 0.00 N ATOM 974 CA TYR A 64 -10.571 6.021 -4.979 1.00 0.00 C ATOM 975 C TYR A 64 -9.249 6.085 -5.730 1.00 0.00 C ATOM 976 O TYR A 64 -9.187 5.799 -6.924 1.00 0.00 O ATOM 977 CB TYR A 64 -11.048 4.570 -4.941 1.00 0.00 C ATOM 978 CG TYR A 64 -11.868 4.209 -3.720 1.00 0.00 C ATOM 979 CD1 TYR A 64 -13.056 4.869 -3.431 1.00 0.00 C ATOM 980 CD2 TYR A 64 -11.453 3.199 -2.861 1.00 0.00 C ATOM 981 CE1 TYR A 64 -13.807 4.532 -2.321 1.00 0.00 C ATOM 982 CE2 TYR A 64 -12.199 2.857 -1.748 1.00 0.00 C ATOM 983 CZ TYR A 64 -13.374 3.526 -1.483 1.00 0.00 C ATOM 984 OH TYR A 64 -14.120 3.188 -0.377 1.00 0.00 O ATOM 0 H TYR A 64 -11.637 6.753 -6.624 1.00 0.00 H new ATOM 0 HA TYR A 64 -10.429 6.383 -3.961 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -11.642 4.373 -5.833 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -10.179 3.914 -4.986 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -13.398 5.658 -4.084 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -10.533 2.672 -3.066 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -14.729 5.054 -2.111 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -11.862 2.070 -1.090 1.00 0.00 H new ATOM 0 HH TYR A 64 -13.605 2.578 0.191 1.00 0.00 H new ATOM 994 N ILE A 65 -8.195 6.444 -5.019 1.00 0.00 N ATOM 995 CA ILE A 65 -6.871 6.527 -5.612 1.00 0.00 C ATOM 996 C ILE A 65 -5.989 5.397 -5.108 1.00 0.00 C ATOM 997 O ILE A 65 -5.981 5.095 -3.916 1.00 0.00 O ATOM 998 CB ILE A 65 -6.181 7.865 -5.291 1.00 0.00 C ATOM 999 CG1 ILE A 65 -6.719 8.975 -6.198 1.00 0.00 C ATOM 1000 CG2 ILE A 65 -4.663 7.732 -5.440 1.00 0.00 C ATOM 1001 CD1 ILE A 65 -5.772 10.145 -6.350 1.00 0.00 C ATOM 0 H ILE A 65 -8.230 6.683 -4.028 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.005 6.449 -6.691 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.402 8.131 -4.257 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.929 8.558 -7.183 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.666 9.335 -5.795 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.190 8.687 -5.210 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.295 6.970 -4.753 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.422 7.445 -6.463 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.219 10.892 -7.006 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.581 10.588 -5.372 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.833 9.799 -6.782 1.00 0.00 H new ATOM 1013 N GLY A 66 -5.229 4.795 -6.012 1.00 0.00 N ATOM 1014 CA GLY A 66 -4.338 3.723 -5.624 1.00 0.00 C ATOM 1015 C GLY A 66 -2.891 4.070 -5.866 1.00 0.00 C ATOM 1016 O GLY A 66 -2.310 3.693 -6.884 1.00 0.00 O ATOM 0 H GLY A 66 -5.214 5.030 -7.005 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.484 3.496 -4.568 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.592 2.822 -6.182 1.00 0.00 H new ATOM 1020 N HIS A 67 -2.305 4.793 -4.923 1.00 0.00 N ATOM 1021 CA HIS A 67 -0.917 5.196 -5.034 1.00 0.00 C ATOM 1022 C HIS A 67 -0.014 3.977 -5.193 1.00 0.00 C ATOM 1023 O HIS A 67 -0.361 2.876 -4.765 1.00 0.00 O ATOM 1024 CB HIS A 67 -0.496 6.018 -3.817 1.00 0.00 C ATOM 1025 CG HIS A 67 -1.190 7.339 -3.729 1.00 0.00 C ATOM 1026 ND1 HIS A 67 -1.151 8.276 -4.740 1.00 0.00 N ATOM 1027 CD2 HIS A 67 -1.953 7.874 -2.749 1.00 0.00 C ATOM 1028 CE1 HIS A 67 -1.860 9.332 -4.384 1.00 0.00 C ATOM 1029 NE2 HIS A 67 -2.357 9.113 -3.180 1.00 0.00 N ATOM 0 H HIS A 67 -2.772 5.111 -4.074 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.813 5.819 -5.922 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.701 5.446 -2.912 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.581 6.182 -3.853 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.199 7.413 -1.804 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -2.008 10.223 -4.976 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -2.946 9.760 -2.655 1.00 0.00 H new ATOM 1038 N VAL A 68 1.135 4.172 -5.829 1.00 0.00 N ATOM 1039 CA VAL A 68 2.074 3.082 -6.067 1.00 0.00 C ATOM 1040 C VAL A 68 3.507 3.606 -6.184 1.00 0.00 C ATOM 1041 O VAL A 68 3.757 4.608 -6.851 1.00 0.00 O ATOM 1042 CB VAL A 68 1.686 2.343 -7.371 1.00 0.00 C ATOM 1043 CG1 VAL A 68 2.887 1.782 -8.117 1.00 0.00 C ATOM 1044 CG2 VAL A 68 0.694 1.229 -7.126 1.00 0.00 C ATOM 0 H VAL A 68 1.439 5.076 -6.190 1.00 0.00 H new ATOM 0 HA VAL A 68 2.027 2.396 -5.221 1.00 0.00 H new ATOM 0 HB VAL A 68 1.220 3.106 -7.995 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.550 1.276 -9.022 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.561 2.596 -8.386 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.413 1.072 -7.479 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.454 0.742 -8.071 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.127 0.500 -6.441 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.215 1.641 -6.689 1.00 0.00 H new ATOM 1054 N TYR A 69 4.446 2.899 -5.565 1.00 0.00 N ATOM 1055 CA TYR A 69 5.857 3.267 -5.635 1.00 0.00 C ATOM 1056 C TYR A 69 6.726 2.024 -5.539 1.00 0.00 C ATOM 1057 O TYR A 69 6.775 1.365 -4.498 1.00 0.00 O ATOM 1058 CB TYR A 69 6.243 4.255 -4.535 1.00 0.00 C ATOM 1059 CG TYR A 69 6.058 5.704 -4.924 1.00 0.00 C ATOM 1060 CD1 TYR A 69 7.022 6.368 -5.674 1.00 0.00 C ATOM 1061 CD2 TYR A 69 4.926 6.410 -4.538 1.00 0.00 C ATOM 1062 CE1 TYR A 69 6.860 7.694 -6.028 1.00 0.00 C ATOM 1063 CE2 TYR A 69 4.757 7.735 -4.890 1.00 0.00 C ATOM 1064 CZ TYR A 69 5.728 8.373 -5.634 1.00 0.00 C ATOM 1065 OH TYR A 69 5.564 9.693 -5.985 1.00 0.00 O ATOM 0 H TYR A 69 4.256 2.066 -5.008 1.00 0.00 H new ATOM 0 HA TYR A 69 6.021 3.756 -6.595 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.645 4.048 -3.647 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.286 4.092 -4.263 1.00 0.00 H new ATOM 0 HD1 TYR A 69 7.911 5.839 -5.985 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.165 5.915 -3.953 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.618 8.196 -6.611 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.869 8.269 -4.584 1.00 0.00 H new ATOM 0 HH TYR A 69 4.750 9.790 -6.522 1.00 0.00 H new ATOM 1075 N ALA A 70 7.405 1.700 -6.628 1.00 0.00 N ATOM 1076 CA ALA A 70 8.269 0.529 -6.661 1.00 0.00 C ATOM 1077 C ALA A 70 9.697 0.883 -6.262 1.00 0.00 C ATOM 1078 O ALA A 70 10.236 1.907 -6.684 1.00 0.00 O ATOM 1079 CB ALA A 70 8.239 -0.102 -8.041 1.00 0.00 C ATOM 0 H ALA A 70 7.375 2.230 -7.499 1.00 0.00 H new ATOM 0 HA ALA A 70 7.893 -0.192 -5.935 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.889 -0.977 -8.055 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.219 -0.403 -8.281 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.588 0.620 -8.779 1.00 0.00 H new ATOM 1085 N ARG A 71 10.306 0.028 -5.447 1.00 0.00 N ATOM 1086 CA ARG A 71 11.673 0.248 -4.990 1.00 0.00 C ATOM 1087 C ARG A 71 12.639 0.282 -6.168 1.00 0.00 C ATOM 1088 O ARG A 71 12.231 0.162 -7.323 1.00 0.00 O ATOM 1089 CB ARG A 71 12.083 -0.850 -4.004 1.00 0.00 C ATOM 1090 CG ARG A 71 12.392 -0.329 -2.609 1.00 0.00 C ATOM 1091 CD ARG A 71 13.876 -0.428 -2.290 1.00 0.00 C ATOM 1092 NE ARG A 71 14.342 0.709 -1.500 1.00 0.00 N ATOM 1093 CZ ARG A 71 15.610 0.885 -1.131 1.00 0.00 C ATOM 1094 NH1 ARG A 71 16.538 0.001 -1.478 1.00 0.00 N ATOM 1095 NH2 ARG A 71 15.950 1.947 -0.413 1.00 0.00 N ATOM 0 H ARG A 71 9.874 -0.824 -5.089 1.00 0.00 H new ATOM 0 HA ARG A 71 11.714 1.213 -4.485 1.00 0.00 H new ATOM 0 HB2 ARG A 71 11.282 -1.586 -3.939 1.00 0.00 H new ATOM 0 HB3 ARG A 71 12.960 -1.367 -4.393 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.070 0.709 -2.528 1.00 0.00 H new ATOM 0 HG3 ARG A 71 11.822 -0.897 -1.873 1.00 0.00 H new ATOM 0 HD2 ARG A 71 14.069 -1.352 -1.745 1.00 0.00 H new ATOM 0 HD3 ARG A 71 14.444 -0.481 -3.219 1.00 0.00 H new ATOM 0 HE ARG A 71 13.657 1.409 -1.214 1.00 0.00 H new ATOM 0 HH11 ARG A 71 16.282 -0.818 -2.030 1.00 0.00 H new ATOM 0 HH12 ARG A 71 17.507 0.141 -1.193 1.00 0.00 H new ATOM 0 HH21 ARG A 71 15.241 2.629 -0.143 1.00 0.00 H new ATOM 0 HH22 ARG A 71 16.921 2.082 -0.130 1.00 0.00 H new ATOM 1109 N SER A 72 13.924 0.448 -5.869 1.00 0.00 N ATOM 1110 CA SER A 72 14.953 0.499 -6.903 1.00 0.00 C ATOM 1111 C SER A 72 14.788 -0.647 -7.898 1.00 0.00 C ATOM 1112 O SER A 72 14.845 -0.440 -9.110 1.00 0.00 O ATOM 1113 CB SER A 72 16.344 0.444 -6.271 1.00 0.00 C ATOM 1114 OG SER A 72 16.312 -0.230 -5.024 1.00 0.00 O ATOM 0 H SER A 72 14.278 0.550 -4.918 1.00 0.00 H new ATOM 0 HA SER A 72 14.842 1.440 -7.441 1.00 0.00 H new ATOM 0 HB2 SER A 72 17.033 -0.065 -6.945 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.724 1.456 -6.131 1.00 0.00 H new ATOM 0 HG SER A 72 17.214 -0.253 -4.641 1.00 0.00 H new ATOM 1120 N GLU A 73 14.579 -1.853 -7.378 1.00 0.00 N ATOM 1121 CA GLU A 73 14.402 -3.033 -8.221 1.00 0.00 C ATOM 1122 C GLU A 73 14.236 -4.292 -7.374 1.00 0.00 C ATOM 1123 O GLU A 73 15.219 -4.909 -6.963 1.00 0.00 O ATOM 1124 CB GLU A 73 15.596 -3.202 -9.166 1.00 0.00 C ATOM 1125 CG GLU A 73 15.492 -4.421 -10.069 1.00 0.00 C ATOM 1126 CD GLU A 73 16.147 -4.202 -11.419 1.00 0.00 C ATOM 1127 OE1 GLU A 73 15.624 -3.386 -12.208 1.00 0.00 O ATOM 1128 OE2 GLU A 73 17.183 -4.846 -11.688 1.00 0.00 O ATOM 0 H GLU A 73 14.528 -2.040 -6.377 1.00 0.00 H new ATOM 0 HA GLU A 73 13.497 -2.887 -8.810 1.00 0.00 H new ATOM 0 HB2 GLU A 73 15.688 -2.309 -9.785 1.00 0.00 H new ATOM 0 HB3 GLU A 73 16.509 -3.275 -8.575 1.00 0.00 H new ATOM 0 HG2 GLU A 73 15.958 -5.274 -9.577 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.441 -4.672 -10.215 1.00 0.00 H new ATOM 1135 N GLY A 74 12.988 -4.671 -7.118 1.00 0.00 N ATOM 1136 CA GLY A 74 12.725 -5.857 -6.326 1.00 0.00 C ATOM 1137 C GLY A 74 11.266 -5.989 -5.937 1.00 0.00 C ATOM 1138 O GLY A 74 10.453 -6.490 -6.713 1.00 0.00 O ATOM 0 H GLY A 74 12.156 -4.179 -7.444 1.00 0.00 H new ATOM 0 HA2 GLY A 74 13.028 -6.740 -6.889 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.336 -5.829 -5.424 1.00 0.00 H new ATOM 1142 N ILE A 75 10.935 -5.542 -4.729 1.00 0.00 N ATOM 1143 CA ILE A 75 9.563 -5.616 -4.239 1.00 0.00 C ATOM 1144 C ILE A 75 8.961 -4.218 -4.098 1.00 0.00 C ATOM 1145 O ILE A 75 9.475 -3.375 -3.364 1.00 0.00 O ATOM 1146 CB ILE A 75 9.474 -6.416 -2.902 1.00 0.00 C ATOM 1147 CG1 ILE A 75 9.286 -5.506 -1.678 1.00 0.00 C ATOM 1148 CG2 ILE A 75 10.705 -7.294 -2.713 1.00 0.00 C ATOM 1149 CD1 ILE A 75 10.511 -4.700 -1.302 1.00 0.00 C ATOM 0 H ILE A 75 11.596 -5.126 -4.073 1.00 0.00 H new ATOM 0 HA ILE A 75 8.974 -6.161 -4.977 1.00 0.00 H new ATOM 0 HB ILE A 75 8.588 -7.047 -2.978 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.461 -4.821 -1.874 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.995 -6.120 -0.826 1.00 0.00 H new ATOM 0 HG21 ILE A 75 10.620 -7.842 -1.775 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.779 -8.000 -3.540 1.00 0.00 H new ATOM 0 HG23 ILE A 75 11.598 -6.669 -2.689 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.289 -4.087 -0.429 1.00 0.00 H new ATOM 0 HD12 ILE A 75 11.334 -5.376 -1.071 1.00 0.00 H new ATOM 0 HD13 ILE A 75 10.793 -4.056 -2.135 1.00 0.00 H new ATOM 1161 N CYS A 76 7.876 -3.973 -4.828 1.00 0.00 N ATOM 1162 CA CYS A 76 7.214 -2.673 -4.802 1.00 0.00 C ATOM 1163 C CYS A 76 6.096 -2.639 -3.769 1.00 0.00 C ATOM 1164 O CYS A 76 5.681 -3.673 -3.249 1.00 0.00 O ATOM 1165 CB CYS A 76 6.655 -2.333 -6.187 1.00 0.00 C ATOM 1166 SG CYS A 76 5.541 -3.583 -6.865 1.00 0.00 S ATOM 0 H CYS A 76 7.437 -4.657 -5.444 1.00 0.00 H new ATOM 0 HA CYS A 76 7.958 -1.928 -4.521 1.00 0.00 H new ATOM 0 HB2 CYS A 76 6.124 -1.383 -6.129 1.00 0.00 H new ATOM 0 HB3 CYS A 76 7.487 -2.191 -6.877 1.00 0.00 H new ATOM 0 HG CYS A 76 5.264 -4.461 -5.947 1.00 0.00 H new ATOM 1172 N GLY A 77 5.609 -1.437 -3.478 1.00 0.00 N ATOM 1173 CA GLY A 77 4.536 -1.284 -2.515 1.00 0.00 C ATOM 1174 C GLY A 77 3.379 -0.496 -3.089 1.00 0.00 C ATOM 1175 O GLY A 77 3.551 0.235 -4.065 1.00 0.00 O ATOM 0 H GLY A 77 5.939 -0.566 -3.893 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.186 -2.267 -2.200 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.914 -0.780 -1.625 1.00 0.00 H new ATOM 1179 N VAL A 78 2.193 -0.637 -2.501 1.00 0.00 N ATOM 1180 CA VAL A 78 1.031 0.083 -3.003 1.00 0.00 C ATOM 1181 C VAL A 78 0.191 0.677 -1.874 1.00 0.00 C ATOM 1182 O VAL A 78 0.009 0.056 -0.827 1.00 0.00 O ATOM 1183 CB VAL A 78 0.137 -0.832 -3.878 1.00 0.00 C ATOM 1184 CG1 VAL A 78 -1.288 -0.297 -3.986 1.00 0.00 C ATOM 1185 CG2 VAL A 78 0.748 -1.027 -5.255 1.00 0.00 C ATOM 0 H VAL A 78 2.015 -1.232 -1.692 1.00 0.00 H new ATOM 0 HA VAL A 78 1.417 0.900 -3.613 1.00 0.00 H new ATOM 0 HB VAL A 78 0.083 -1.803 -3.385 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.882 -0.967 -4.607 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.730 -0.237 -2.992 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.271 0.696 -4.436 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.103 -1.673 -5.851 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.850 -0.060 -5.748 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.731 -1.488 -5.155 1.00 0.00 H new ATOM 1195 N LEU A 79 -0.347 1.874 -2.115 1.00 0.00 N ATOM 1196 CA LEU A 79 -1.205 2.534 -1.125 1.00 0.00 C ATOM 1197 C LEU A 79 -2.441 3.125 -1.797 1.00 0.00 C ATOM 1198 O LEU A 79 -2.326 3.955 -2.691 1.00 0.00 O ATOM 1199 CB LEU A 79 -0.460 3.630 -0.346 1.00 0.00 C ATOM 1200 CG LEU A 79 1.018 3.827 -0.694 1.00 0.00 C ATOM 1201 CD1 LEU A 79 1.226 5.174 -1.373 1.00 0.00 C ATOM 1202 CD2 LEU A 79 1.882 3.713 0.556 1.00 0.00 C ATOM 0 H LEU A 79 -0.207 2.402 -2.976 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.510 1.770 -0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.978 4.576 -0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.533 3.403 0.718 1.00 0.00 H new ATOM 0 HG LEU A 79 1.320 3.042 -1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.281 5.301 -1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.637 5.215 -2.289 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.909 5.972 -0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.929 3.856 0.289 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.584 4.476 1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.752 2.726 0.999 1.00 0.00 H new ATOM 1214 N ILE A 80 -3.622 2.694 -1.365 1.00 0.00 N ATOM 1215 CA ILE A 80 -4.872 3.191 -1.944 1.00 0.00 C ATOM 1216 C ILE A 80 -5.618 4.105 -0.974 1.00 0.00 C ATOM 1217 O ILE A 80 -6.001 3.691 0.119 1.00 0.00 O ATOM 1218 CB ILE A 80 -5.814 2.038 -2.381 1.00 0.00 C ATOM 1219 CG1 ILE A 80 -5.223 0.681 -2.015 1.00 0.00 C ATOM 1220 CG2 ILE A 80 -6.081 2.097 -3.877 1.00 0.00 C ATOM 1221 CD1 ILE A 80 -6.111 -0.483 -2.400 1.00 0.00 C ATOM 0 H ILE A 80 -3.743 2.006 -0.621 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.587 3.762 -2.827 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.757 2.163 -1.849 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.256 0.569 -2.506 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.040 0.650 -0.941 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.744 1.279 -4.161 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.552 3.048 -4.125 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.139 2.006 -4.419 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.631 -1.418 -2.111 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.069 -0.394 -1.888 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.273 -0.476 -3.478 1.00 0.00 H new ATOM 1233 N THR A 81 -5.830 5.353 -1.389 1.00 0.00 N ATOM 1234 CA THR A 81 -6.537 6.327 -0.565 1.00 0.00 C ATOM 1235 C THR A 81 -7.426 7.228 -1.425 1.00 0.00 C ATOM 1236 O THR A 81 -7.466 7.083 -2.641 1.00 0.00 O ATOM 1237 CB THR A 81 -5.539 7.161 0.238 1.00 0.00 C ATOM 1238 OG1 THR A 81 -6.171 8.284 0.822 1.00 0.00 O ATOM 1239 CG2 THR A 81 -4.376 7.656 -0.585 1.00 0.00 C ATOM 0 H THR A 81 -5.521 5.712 -2.292 1.00 0.00 H new ATOM 0 HA THR A 81 -7.180 5.788 0.130 1.00 0.00 H new ATOM 0 HB THR A 81 -5.156 6.489 1.006 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.520 8.785 1.356 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.706 8.241 0.046 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.834 6.805 -0.998 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.746 8.281 -1.398 1.00 0.00 H new ATOM 1247 N ASP A 82 -8.142 8.149 -0.783 1.00 0.00 N ATOM 1248 CA ASP A 82 -9.039 9.061 -1.488 1.00 0.00 C ATOM 1249 C ASP A 82 -8.288 9.946 -2.477 1.00 0.00 C ATOM 1250 O ASP A 82 -7.058 9.941 -2.526 1.00 0.00 O ATOM 1251 CB ASP A 82 -9.795 9.934 -0.485 1.00 0.00 C ATOM 1252 CG ASP A 82 -11.171 10.328 -0.983 1.00 0.00 C ATOM 1253 OD1 ASP A 82 -12.114 9.523 -0.824 1.00 0.00 O ATOM 1254 OD2 ASP A 82 -11.308 11.441 -1.533 1.00 0.00 O ATOM 0 H ASP A 82 -8.118 8.283 0.228 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.746 8.453 -2.053 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.893 9.397 0.458 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.214 10.834 -0.281 1.00 0.00 H new ATOM 1259 N LYS A 83 -9.044 10.708 -3.265 1.00 0.00 N ATOM 1260 CA LYS A 83 -8.466 11.607 -4.258 1.00 0.00 C ATOM 1261 C LYS A 83 -7.846 12.832 -3.590 1.00 0.00 C ATOM 1262 O LYS A 83 -6.961 13.475 -4.156 1.00 0.00 O ATOM 1263 CB LYS A 83 -9.531 12.042 -5.265 1.00 0.00 C ATOM 1264 CG LYS A 83 -8.965 12.418 -6.625 1.00 0.00 C ATOM 1265 CD LYS A 83 -9.967 13.213 -7.444 1.00 0.00 C ATOM 1266 CE LYS A 83 -10.971 12.303 -8.132 1.00 0.00 C ATOM 1267 NZ LYS A 83 -12.249 12.214 -7.372 1.00 0.00 N ATOM 0 H LYS A 83 -10.063 10.719 -3.233 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.679 11.068 -4.785 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.251 11.234 -5.391 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -10.076 12.894 -4.859 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.055 13.004 -6.492 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -8.686 11.514 -7.167 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -10.494 13.914 -6.796 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.439 13.805 -8.192 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -11.171 12.676 -9.137 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.543 11.307 -8.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -12.782 11.377 -7.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.044 12.133 -6.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.815 13.069 -7.544 1.00 0.00 H new ATOM 1281 N GLN A 84 -8.308 13.146 -2.381 1.00 0.00 N ATOM 1282 CA GLN A 84 -7.786 14.288 -1.634 1.00 0.00 C ATOM 1283 C GLN A 84 -6.567 13.880 -0.808 1.00 0.00 C ATOM 1284 O GLN A 84 -6.251 14.500 0.207 1.00 0.00 O ATOM 1285 CB GLN A 84 -8.870 14.865 -0.719 1.00 0.00 C ATOM 1286 CG GLN A 84 -9.661 15.997 -1.355 1.00 0.00 C ATOM 1287 CD GLN A 84 -8.825 17.244 -1.567 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -7.607 17.227 -1.386 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -9.478 18.334 -1.951 1.00 0.00 N ATOM 0 H GLN A 84 -9.041 12.626 -1.899 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.481 15.053 -2.348 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -9.557 14.068 -0.435 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -8.405 15.227 0.198 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.059 15.664 -2.313 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -10.515 16.239 -0.722 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -10.488 18.301 -2.089 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -8.970 19.204 -2.108 1.00 0.00 H new ATOM 1298 N TYR A 85 -5.891 12.830 -1.260 1.00 0.00 N ATOM 1299 CA TYR A 85 -4.710 12.311 -0.599 1.00 0.00 C ATOM 1300 C TYR A 85 -3.558 12.298 -1.594 1.00 0.00 C ATOM 1301 O TYR A 85 -3.176 11.248 -2.105 1.00 0.00 O ATOM 1302 CB TYR A 85 -5.004 10.898 -0.098 1.00 0.00 C ATOM 1303 CG TYR A 85 -4.023 10.347 0.915 1.00 0.00 C ATOM 1304 CD1 TYR A 85 -2.667 10.250 0.633 1.00 0.00 C ATOM 1305 CD2 TYR A 85 -4.468 9.894 2.152 1.00 0.00 C ATOM 1306 CE1 TYR A 85 -1.784 9.722 1.553 1.00 0.00 C ATOM 1307 CE2 TYR A 85 -3.592 9.362 3.076 1.00 0.00 C ATOM 1308 CZ TYR A 85 -2.251 9.279 2.770 1.00 0.00 C ATOM 1309 OH TYR A 85 -1.373 8.747 3.682 1.00 0.00 O ATOM 0 H TYR A 85 -6.152 12.315 -2.101 1.00 0.00 H new ATOM 0 HA TYR A 85 -4.438 12.937 0.251 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -6.000 10.888 0.345 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -5.030 10.226 -0.955 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -2.297 10.593 -0.322 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -5.518 9.960 2.394 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -0.732 9.657 1.319 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -3.955 9.013 4.032 1.00 0.00 H new ATOM 0 HH TYR A 85 -1.234 9.385 4.413 1.00 0.00 H new ATOM 1319 N PRO A 86 -3.010 13.484 -1.902 1.00 0.00 N ATOM 1320 CA PRO A 86 -1.916 13.638 -2.857 1.00 0.00 C ATOM 1321 C PRO A 86 -0.918 12.483 -2.830 1.00 0.00 C ATOM 1322 O PRO A 86 -0.762 11.804 -1.815 1.00 0.00 O ATOM 1323 CB PRO A 86 -1.267 14.930 -2.389 1.00 0.00 C ATOM 1324 CG PRO A 86 -2.403 15.755 -1.885 1.00 0.00 C ATOM 1325 CD PRO A 86 -3.433 14.788 -1.354 1.00 0.00 C ATOM 0 HA PRO A 86 -2.265 13.650 -3.889 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -0.532 14.744 -1.605 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -0.744 15.430 -3.204 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.070 16.436 -1.102 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.822 16.368 -2.683 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -3.447 14.778 -0.264 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.438 15.053 -1.684 1.00 0.00 H new ATOM 1333 N VAL A 87 -0.253 12.267 -3.961 1.00 0.00 N ATOM 1334 CA VAL A 87 0.724 11.195 -4.088 1.00 0.00 C ATOM 1335 C VAL A 87 2.021 11.529 -3.355 1.00 0.00 C ATOM 1336 O VAL A 87 2.752 10.634 -2.933 1.00 0.00 O ATOM 1337 CB VAL A 87 1.039 10.906 -5.568 1.00 0.00 C ATOM 1338 CG1 VAL A 87 1.618 12.139 -6.246 1.00 0.00 C ATOM 1339 CG2 VAL A 87 1.990 9.725 -5.693 1.00 0.00 C ATOM 0 H VAL A 87 -0.375 12.825 -4.806 1.00 0.00 H new ATOM 0 HA VAL A 87 0.282 10.308 -3.634 1.00 0.00 H new ATOM 0 HB VAL A 87 0.107 10.648 -6.072 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.833 11.913 -7.290 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.898 12.956 -6.193 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.538 12.433 -5.741 1.00 0.00 H new ATOM 0 HG21 VAL A 87 2.200 9.537 -6.746 1.00 0.00 H new ATOM 0 HG22 VAL A 87 2.920 9.950 -5.172 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.532 8.840 -5.251 1.00 0.00 H new ATOM 1349 N ARG A 88 2.306 12.821 -3.215 1.00 0.00 N ATOM 1350 CA ARG A 88 3.521 13.269 -2.539 1.00 0.00 C ATOM 1351 C ARG A 88 3.735 12.523 -1.224 1.00 0.00 C ATOM 1352 O ARG A 88 4.769 11.882 -1.036 1.00 0.00 O ATOM 1353 CB ARG A 88 3.473 14.777 -2.306 1.00 0.00 C ATOM 1354 CG ARG A 88 3.158 15.559 -3.568 1.00 0.00 C ATOM 1355 CD ARG A 88 2.000 16.522 -3.360 1.00 0.00 C ATOM 1356 NE ARG A 88 2.152 17.740 -4.152 1.00 0.00 N ATOM 1357 CZ ARG A 88 2.941 18.756 -3.806 1.00 0.00 C ATOM 1358 NH1 ARG A 88 3.649 18.704 -2.685 1.00 0.00 N ATOM 1359 NH2 ARG A 88 3.022 19.827 -4.585 1.00 0.00 N ATOM 0 H ARG A 88 1.713 13.576 -3.560 1.00 0.00 H new ATOM 0 HA ARG A 88 4.369 13.043 -3.185 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.720 14.999 -1.549 1.00 0.00 H new ATOM 0 HB3 ARG A 88 4.432 15.109 -1.909 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.042 16.115 -3.881 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.915 14.866 -4.374 1.00 0.00 H new ATOM 0 HD2 ARG A 88 1.066 16.029 -3.629 1.00 0.00 H new ATOM 0 HD3 ARG A 88 1.930 16.783 -2.304 1.00 0.00 H new ATOM 0 HE ARG A 88 1.623 17.817 -5.021 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.591 17.883 -2.083 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.251 19.485 -2.426 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.480 19.872 -5.448 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.626 20.605 -4.321 1.00 0.00 H new ATOM 1373 N PRO A 89 2.762 12.568 -0.295 1.00 0.00 N ATOM 1374 CA PRO A 89 2.882 11.860 0.977 1.00 0.00 C ATOM 1375 C PRO A 89 2.905 10.358 0.764 1.00 0.00 C ATOM 1376 O PRO A 89 3.479 9.615 1.560 1.00 0.00 O ATOM 1377 CB PRO A 89 1.635 12.283 1.755 1.00 0.00 C ATOM 1378 CG PRO A 89 0.657 12.691 0.706 1.00 0.00 C ATOM 1379 CD PRO A 89 1.474 13.278 -0.413 1.00 0.00 C ATOM 0 HA PRO A 89 3.806 12.100 1.503 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.248 11.463 2.360 1.00 0.00 H new ATOM 0 HB3 PRO A 89 1.853 13.106 2.436 1.00 0.00 H new ATOM 0 HG2 PRO A 89 0.077 11.836 0.359 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.053 13.421 1.096 1.00 0.00 H new ATOM 0 HD2 PRO A 89 1.008 13.109 -1.384 1.00 0.00 H new ATOM 0 HD3 PRO A 89 1.596 14.355 -0.301 1.00 0.00 H new ATOM 1387 N ALA A 90 2.312 9.918 -0.341 1.00 0.00 N ATOM 1388 CA ALA A 90 2.308 8.508 -0.675 1.00 0.00 C ATOM 1389 C ALA A 90 3.718 8.102 -1.054 1.00 0.00 C ATOM 1390 O ALA A 90 4.142 6.972 -0.814 1.00 0.00 O ATOM 1391 CB ALA A 90 1.332 8.216 -1.805 1.00 0.00 C ATOM 0 H ALA A 90 1.832 10.517 -1.013 1.00 0.00 H new ATOM 0 HA ALA A 90 1.978 7.928 0.187 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.350 7.151 -2.035 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.326 8.505 -1.501 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.620 8.783 -2.690 1.00 0.00 H new ATOM 1397 N TYR A 91 4.457 9.055 -1.618 1.00 0.00 N ATOM 1398 CA TYR A 91 5.836 8.817 -1.987 1.00 0.00 C ATOM 1399 C TYR A 91 6.661 8.696 -0.716 1.00 0.00 C ATOM 1400 O TYR A 91 7.535 7.836 -0.604 1.00 0.00 O ATOM 1401 CB TYR A 91 6.371 9.952 -2.862 1.00 0.00 C ATOM 1402 CG TYR A 91 7.826 9.790 -3.244 1.00 0.00 C ATOM 1403 CD1 TYR A 91 8.345 8.543 -3.572 1.00 0.00 C ATOM 1404 CD2 TYR A 91 8.682 10.885 -3.274 1.00 0.00 C ATOM 1405 CE1 TYR A 91 9.673 8.392 -3.920 1.00 0.00 C ATOM 1406 CE2 TYR A 91 10.012 10.741 -3.622 1.00 0.00 C ATOM 1407 CZ TYR A 91 10.503 9.493 -3.943 1.00 0.00 C ATOM 1408 OH TYR A 91 11.826 9.346 -4.290 1.00 0.00 O ATOM 0 H TYR A 91 4.118 9.994 -1.826 1.00 0.00 H new ATOM 0 HA TYR A 91 5.903 7.896 -2.565 1.00 0.00 H new ATOM 0 HB2 TYR A 91 5.771 10.013 -3.770 1.00 0.00 H new ATOM 0 HB3 TYR A 91 6.246 10.897 -2.333 1.00 0.00 H new ATOM 0 HD1 TYR A 91 7.699 7.678 -3.554 1.00 0.00 H new ATOM 0 HD2 TYR A 91 8.302 11.864 -3.021 1.00 0.00 H new ATOM 0 HE1 TYR A 91 10.060 7.416 -4.173 1.00 0.00 H new ATOM 0 HE2 TYR A 91 10.664 11.602 -3.642 1.00 0.00 H new ATOM 0 HH TYR A 91 12.272 10.218 -4.258 1.00 0.00 H new ATOM 1418 N THR A 92 6.347 9.551 0.257 1.00 0.00 N ATOM 1419 CA THR A 92 7.032 9.530 1.539 1.00 0.00 C ATOM 1420 C THR A 92 6.699 8.242 2.275 1.00 0.00 C ATOM 1421 O THR A 92 7.565 7.613 2.882 1.00 0.00 O ATOM 1422 CB THR A 92 6.610 10.725 2.386 1.00 0.00 C ATOM 1423 OG1 THR A 92 6.694 11.927 1.639 1.00 0.00 O ATOM 1424 CG2 THR A 92 7.443 10.897 3.636 1.00 0.00 C ATOM 0 H THR A 92 5.622 10.265 0.177 1.00 0.00 H new ATOM 0 HA THR A 92 8.106 9.584 1.364 1.00 0.00 H new ATOM 0 HB THR A 92 5.582 10.519 2.683 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.417 12.681 2.200 1.00 0.00 H new ATOM 0 HG21 THR A 92 7.090 11.765 4.192 1.00 0.00 H new ATOM 0 HG22 THR A 92 7.354 10.006 4.258 1.00 0.00 H new ATOM 0 HG23 THR A 92 8.487 11.043 3.360 1.00 0.00 H new ATOM 1432 N LEU A 93 5.430 7.852 2.206 1.00 0.00 N ATOM 1433 CA LEU A 93 4.974 6.634 2.853 1.00 0.00 C ATOM 1434 C LEU A 93 5.619 5.431 2.210 1.00 0.00 C ATOM 1435 O LEU A 93 6.298 4.653 2.875 1.00 0.00 O ATOM 1436 CB LEU A 93 3.448 6.524 2.797 1.00 0.00 C ATOM 1437 CG LEU A 93 2.864 5.229 3.368 1.00 0.00 C ATOM 1438 CD1 LEU A 93 3.554 4.854 4.673 1.00 0.00 C ATOM 1439 CD2 LEU A 93 1.365 5.375 3.582 1.00 0.00 C ATOM 0 H LEU A 93 4.702 8.364 1.708 1.00 0.00 H new ATOM 0 HA LEU A 93 5.269 6.669 3.902 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.019 7.367 3.339 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.131 6.619 1.758 1.00 0.00 H new ATOM 0 HG LEU A 93 3.038 4.428 2.649 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.123 3.931 5.060 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.619 4.709 4.493 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.414 5.653 5.401 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.963 4.447 3.988 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.175 6.189 4.281 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.881 5.594 2.630 1.00 0.00 H new ATOM 1451 N LEU A 94 5.440 5.294 0.909 1.00 0.00 N ATOM 1452 CA LEU A 94 6.048 4.194 0.193 1.00 0.00 C ATOM 1453 C LEU A 94 7.567 4.274 0.318 1.00 0.00 C ATOM 1454 O LEU A 94 8.268 3.292 0.080 1.00 0.00 O ATOM 1455 CB LEU A 94 5.629 4.216 -1.276 1.00 0.00 C ATOM 1456 CG LEU A 94 4.486 3.263 -1.629 1.00 0.00 C ATOM 1457 CD1 LEU A 94 3.535 3.907 -2.628 1.00 0.00 C ATOM 1458 CD2 LEU A 94 5.035 1.954 -2.175 1.00 0.00 C ATOM 0 H LEU A 94 4.883 5.926 0.333 1.00 0.00 H new ATOM 0 HA LEU A 94 5.707 3.255 0.629 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.332 5.231 -1.540 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.494 3.967 -1.890 1.00 0.00 H new ATOM 0 HG LEU A 94 3.925 3.048 -0.719 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.730 3.211 -2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.114 4.815 -2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.079 4.156 -3.539 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.209 1.287 -2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.621 2.152 -3.072 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.669 1.484 -1.423 1.00 0.00 H new ATOM 1470 N ASN A 95 8.072 5.448 0.714 1.00 0.00 N ATOM 1471 CA ASN A 95 9.510 5.631 0.888 1.00 0.00 C ATOM 1472 C ASN A 95 9.971 5.010 2.203 1.00 0.00 C ATOM 1473 O ASN A 95 10.996 4.328 2.259 1.00 0.00 O ATOM 1474 CB ASN A 95 9.877 7.118 0.847 1.00 0.00 C ATOM 1475 CG ASN A 95 11.355 7.359 1.091 1.00 0.00 C ATOM 1476 OD1 ASN A 95 12.185 7.146 0.208 1.00 0.00 O ATOM 1477 ND2 ASN A 95 11.691 7.809 2.295 1.00 0.00 N ATOM 0 H ASN A 95 7.510 6.275 0.917 1.00 0.00 H new ATOM 0 HA ASN A 95 10.019 5.128 0.066 1.00 0.00 H new ATOM 0 HB2 ASN A 95 9.600 7.531 -0.123 1.00 0.00 H new ATOM 0 HB3 ASN A 95 9.296 7.653 1.598 1.00 0.00 H new ATOM 0 HD21 ASN A 95 12.670 7.991 2.516 1.00 0.00 H new ATOM 0 HD22 ASN A 95 10.970 7.972 2.998 1.00 0.00 H new ATOM 1484 N LYS A 96 9.194 5.240 3.257 1.00 0.00 N ATOM 1485 CA LYS A 96 9.507 4.698 4.570 1.00 0.00 C ATOM 1486 C LYS A 96 9.152 3.226 4.607 1.00 0.00 C ATOM 1487 O LYS A 96 9.859 2.413 5.199 1.00 0.00 O ATOM 1488 CB LYS A 96 8.742 5.453 5.660 1.00 0.00 C ATOM 1489 CG LYS A 96 9.322 5.263 7.052 1.00 0.00 C ATOM 1490 CD LYS A 96 10.524 6.166 7.285 1.00 0.00 C ATOM 1491 CE LYS A 96 10.459 6.844 8.643 1.00 0.00 C ATOM 1492 NZ LYS A 96 11.446 7.953 8.759 1.00 0.00 N ATOM 0 H LYS A 96 8.342 5.800 3.225 1.00 0.00 H new ATOM 0 HA LYS A 96 10.574 4.817 4.757 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.737 6.516 5.419 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.704 5.122 5.660 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.556 5.475 7.798 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.617 4.222 7.185 1.00 0.00 H new ATOM 0 HD2 LYS A 96 11.440 5.579 7.214 1.00 0.00 H new ATOM 0 HD3 LYS A 96 10.569 6.923 6.502 1.00 0.00 H new ATOM 0 HE2 LYS A 96 9.454 7.234 8.806 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.646 6.108 9.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 11.369 8.389 9.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 12.407 7.577 8.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.252 8.668 8.029 1.00 0.00 H new ATOM 1506 N ILE A 97 8.055 2.893 3.942 1.00 0.00 N ATOM 1507 CA ILE A 97 7.597 1.521 3.862 1.00 0.00 C ATOM 1508 C ILE A 97 8.647 0.671 3.160 1.00 0.00 C ATOM 1509 O ILE A 97 9.195 -0.258 3.739 1.00 0.00 O ATOM 1510 CB ILE A 97 6.279 1.438 3.071 1.00 0.00 C ATOM 1511 CG1 ILE A 97 5.135 2.099 3.827 1.00 0.00 C ATOM 1512 CG2 ILE A 97 5.919 0.002 2.735 1.00 0.00 C ATOM 1513 CD1 ILE A 97 3.864 2.148 3.012 1.00 0.00 C ATOM 0 H ILE A 97 7.465 3.562 3.448 1.00 0.00 H new ATOM 0 HA ILE A 97 7.432 1.152 4.874 1.00 0.00 H new ATOM 0 HB ILE A 97 6.436 1.979 2.138 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.950 1.553 4.752 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.424 3.112 4.107 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.983 -0.017 2.177 1.00 0.00 H new ATOM 0 HG22 ILE A 97 6.711 -0.440 2.131 1.00 0.00 H new ATOM 0 HG23 ILE A 97 5.804 -0.569 3.656 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.077 2.628 3.594 1.00 0.00 H new ATOM 0 HD12 ILE A 97 4.039 2.717 2.099 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.558 1.134 2.755 1.00 0.00 H new ATOM 1525 N LEU A 98 8.933 1.007 1.909 1.00 0.00 N ATOM 1526 CA LEU A 98 9.930 0.268 1.143 1.00 0.00 C ATOM 1527 C LEU A 98 11.220 0.131 1.944 1.00 0.00 C ATOM 1528 O LEU A 98 11.774 -0.963 2.060 1.00 0.00 O ATOM 1529 CB LEU A 98 10.200 0.956 -0.198 1.00 0.00 C ATOM 1530 CG LEU A 98 9.367 0.434 -1.375 1.00 0.00 C ATOM 1531 CD1 LEU A 98 7.935 0.142 -0.941 1.00 0.00 C ATOM 1532 CD2 LEU A 98 9.383 1.432 -2.521 1.00 0.00 C ATOM 0 H LEU A 98 8.494 1.778 1.406 1.00 0.00 H new ATOM 0 HA LEU A 98 9.540 -0.730 0.942 1.00 0.00 H new ATOM 0 HB2 LEU A 98 10.012 2.024 -0.085 1.00 0.00 H new ATOM 0 HB3 LEU A 98 11.256 0.842 -0.441 1.00 0.00 H new ATOM 0 HG LEU A 98 9.813 -0.499 -1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.365 -0.227 -1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 98 7.940 -0.612 -0.154 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.475 1.056 -0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.787 1.046 -3.348 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.964 2.380 -2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.409 1.587 -2.854 1.00 0.00 H new ATOM 1544 N ASP A 99 11.671 1.237 2.531 1.00 0.00 N ATOM 1545 CA ASP A 99 12.873 1.219 3.352 1.00 0.00 C ATOM 1546 C ASP A 99 12.618 0.375 4.594 1.00 0.00 C ATOM 1547 O ASP A 99 13.531 -0.221 5.163 1.00 0.00 O ATOM 1548 CB ASP A 99 13.274 2.640 3.752 1.00 0.00 C ATOM 1549 CG ASP A 99 14.723 2.732 4.190 1.00 0.00 C ATOM 1550 OD1 ASP A 99 15.590 2.156 3.499 1.00 0.00 O ATOM 1551 OD2 ASP A 99 14.991 3.380 5.224 1.00 0.00 O ATOM 0 H ASP A 99 11.224 2.150 2.453 1.00 0.00 H new ATOM 0 HA ASP A 99 13.692 0.785 2.778 1.00 0.00 H new ATOM 0 HB2 ASP A 99 13.109 3.312 2.909 1.00 0.00 H new ATOM 0 HB3 ASP A 99 12.630 2.981 4.563 1.00 0.00 H new ATOM 1556 N GLU A 100 11.351 0.328 4.989 1.00 0.00 N ATOM 1557 CA GLU A 100 10.921 -0.440 6.142 1.00 0.00 C ATOM 1558 C GLU A 100 10.823 -1.921 5.792 1.00 0.00 C ATOM 1559 O GLU A 100 10.998 -2.785 6.652 1.00 0.00 O ATOM 1560 CB GLU A 100 9.579 0.087 6.643 1.00 0.00 C ATOM 1561 CG GLU A 100 9.010 -0.701 7.812 1.00 0.00 C ATOM 1562 CD GLU A 100 9.679 -0.359 9.128 1.00 0.00 C ATOM 1563 OE1 GLU A 100 9.892 0.843 9.391 1.00 0.00 O ATOM 1564 OE2 GLU A 100 9.991 -1.294 9.896 1.00 0.00 O ATOM 0 H GLU A 100 10.595 0.823 4.516 1.00 0.00 H new ATOM 0 HA GLU A 100 11.659 -0.330 6.936 1.00 0.00 H new ATOM 0 HB2 GLU A 100 9.697 1.129 6.942 1.00 0.00 H new ATOM 0 HB3 GLU A 100 8.863 0.070 5.822 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.941 -0.505 7.891 1.00 0.00 H new ATOM 0 HG3 GLU A 100 9.125 -1.767 7.617 1.00 0.00 H new ATOM 1571 N TYR A 101 10.563 -2.208 4.518 1.00 0.00 N ATOM 1572 CA TYR A 101 10.467 -3.582 4.057 1.00 0.00 C ATOM 1573 C TYR A 101 11.857 -4.200 3.982 1.00 0.00 C ATOM 1574 O TYR A 101 12.020 -5.405 4.150 1.00 0.00 O ATOM 1575 CB TYR A 101 9.792 -3.659 2.688 1.00 0.00 C ATOM 1576 CG TYR A 101 9.272 -5.043 2.368 1.00 0.00 C ATOM 1577 CD1 TYR A 101 8.039 -5.468 2.844 1.00 0.00 C ATOM 1578 CD2 TYR A 101 10.021 -5.932 1.604 1.00 0.00 C ATOM 1579 CE1 TYR A 101 7.565 -6.737 2.570 1.00 0.00 C ATOM 1580 CE2 TYR A 101 9.552 -7.201 1.322 1.00 0.00 C ATOM 1581 CZ TYR A 101 8.325 -7.599 1.808 1.00 0.00 C ATOM 1582 OH TYR A 101 7.858 -8.865 1.538 1.00 0.00 O ATOM 0 H TYR A 101 10.416 -1.506 3.792 1.00 0.00 H new ATOM 0 HA TYR A 101 9.857 -4.138 4.769 1.00 0.00 H new ATOM 0 HB2 TYR A 101 8.966 -2.949 2.655 1.00 0.00 H new ATOM 0 HB3 TYR A 101 10.503 -3.356 1.920 1.00 0.00 H new ATOM 0 HD1 TYR A 101 7.440 -4.795 3.439 1.00 0.00 H new ATOM 0 HD2 TYR A 101 10.985 -5.625 1.225 1.00 0.00 H new ATOM 0 HE1 TYR A 101 6.605 -7.052 2.951 1.00 0.00 H new ATOM 0 HE2 TYR A 101 10.144 -7.878 0.724 1.00 0.00 H new ATOM 0 HH TYR A 101 6.901 -8.912 1.744 1.00 0.00 H new ATOM 1592 N LEU A 102 12.858 -3.358 3.721 1.00 0.00 N ATOM 1593 CA LEU A 102 14.238 -3.821 3.617 1.00 0.00 C ATOM 1594 C LEU A 102 14.767 -4.322 4.958 1.00 0.00 C ATOM 1595 O LEU A 102 15.596 -5.230 5.004 1.00 0.00 O ATOM 1596 CB LEU A 102 15.151 -2.707 3.098 1.00 0.00 C ATOM 1597 CG LEU A 102 14.537 -1.789 2.041 1.00 0.00 C ATOM 1598 CD1 LEU A 102 15.584 -0.830 1.498 1.00 0.00 C ATOM 1599 CD2 LEU A 102 13.919 -2.604 0.912 1.00 0.00 C ATOM 0 H LEU A 102 12.737 -2.355 3.579 1.00 0.00 H new ATOM 0 HA LEU A 102 14.241 -4.650 2.910 1.00 0.00 H new ATOM 0 HB2 LEU A 102 15.467 -2.097 3.944 1.00 0.00 H new ATOM 0 HB3 LEU A 102 16.049 -3.163 2.681 1.00 0.00 H new ATOM 0 HG LEU A 102 13.745 -1.206 2.511 1.00 0.00 H new ATOM 0 HD11 LEU A 102 15.130 -0.184 0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 102 15.976 -0.220 2.312 1.00 0.00 H new ATOM 0 HD13 LEU A 102 16.397 -1.397 1.045 1.00 0.00 H new ATOM 0 HD21 LEU A 102 13.488 -1.931 0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 102 14.689 -3.216 0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 102 13.138 -3.249 1.314 1.00 0.00 H new ATOM 1611 N VAL A 103 14.299 -3.725 6.049 1.00 0.00 N ATOM 1612 CA VAL A 103 14.752 -4.124 7.375 1.00 0.00 C ATOM 1613 C VAL A 103 14.265 -5.520 7.729 1.00 0.00 C ATOM 1614 O VAL A 103 15.044 -6.364 8.174 1.00 0.00 O ATOM 1615 CB VAL A 103 14.284 -3.145 8.467 1.00 0.00 C ATOM 1616 CG1 VAL A 103 14.315 -3.823 9.829 1.00 0.00 C ATOM 1617 CG2 VAL A 103 15.145 -1.891 8.466 1.00 0.00 C ATOM 0 H VAL A 103 13.613 -2.970 6.042 1.00 0.00 H new ATOM 0 HA VAL A 103 15.841 -4.114 7.338 1.00 0.00 H new ATOM 0 HB VAL A 103 13.257 -2.848 8.254 1.00 0.00 H new ATOM 0 HG11 VAL A 103 13.982 -3.120 10.593 1.00 0.00 H new ATOM 0 HG12 VAL A 103 13.653 -4.689 9.819 1.00 0.00 H new ATOM 0 HG13 VAL A 103 15.332 -4.146 10.052 1.00 0.00 H new ATOM 0 HG21 VAL A 103 14.799 -1.211 9.245 1.00 0.00 H new ATOM 0 HG22 VAL A 103 16.183 -2.162 8.657 1.00 0.00 H new ATOM 0 HG23 VAL A 103 15.071 -1.399 7.496 1.00 0.00 H new ATOM 1627 N ALA A 104 12.974 -5.762 7.529 1.00 0.00 N ATOM 1628 CA ALA A 104 12.382 -7.061 7.825 1.00 0.00 C ATOM 1629 C ALA A 104 13.242 -8.199 7.278 1.00 0.00 C ATOM 1630 O ALA A 104 13.126 -9.346 7.711 1.00 0.00 O ATOM 1631 CB ALA A 104 10.975 -7.133 7.253 1.00 0.00 C ATOM 0 H ALA A 104 12.316 -5.074 7.162 1.00 0.00 H new ATOM 0 HA ALA A 104 12.332 -7.175 8.908 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.540 -8.107 7.479 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.361 -6.350 7.697 1.00 0.00 H new ATOM 0 HB3 ALA A 104 11.014 -6.995 6.173 1.00 0.00 H new ATOM 1637 N HIS A 105 14.104 -7.870 6.318 1.00 0.00 N ATOM 1638 CA HIS A 105 14.981 -8.848 5.702 1.00 0.00 C ATOM 1639 C HIS A 105 15.929 -8.165 4.715 1.00 0.00 C ATOM 1640 O HIS A 105 15.493 -7.369 3.885 1.00 0.00 O ATOM 1641 CB HIS A 105 14.160 -9.920 4.981 1.00 0.00 C ATOM 1642 CG HIS A 105 12.894 -9.403 4.361 1.00 0.00 C ATOM 1643 ND1 HIS A 105 11.971 -10.220 3.745 1.00 0.00 N ATOM 1644 CD2 HIS A 105 12.400 -8.144 4.268 1.00 0.00 C ATOM 1645 CE1 HIS A 105 10.965 -9.488 3.301 1.00 0.00 C ATOM 1646 NE2 HIS A 105 11.199 -8.224 3.606 1.00 0.00 N ATOM 0 H HIS A 105 14.210 -6.924 5.952 1.00 0.00 H new ATOM 0 HA HIS A 105 15.571 -9.324 6.485 1.00 0.00 H new ATOM 0 HB2 HIS A 105 14.775 -10.373 4.203 1.00 0.00 H new ATOM 0 HB3 HIS A 105 13.910 -10.710 5.690 1.00 0.00 H new ATOM 0 HD2 HIS A 105 12.865 -7.245 4.645 1.00 0.00 H new ATOM 0 HE1 HIS A 105 10.097 -9.860 2.777 1.00 0.00 H new ATOM 0 HE2 HIS A 105 10.588 -7.437 3.386 1.00 0.00 H new ATOM 1655 N PRO A 106 17.242 -8.465 4.800 1.00 0.00 N ATOM 1656 CA PRO A 106 18.270 -7.890 3.933 1.00 0.00 C ATOM 1657 C PRO A 106 17.764 -7.499 2.544 1.00 0.00 C ATOM 1658 O PRO A 106 16.823 -8.092 2.017 1.00 0.00 O ATOM 1659 CB PRO A 106 19.281 -9.028 3.843 1.00 0.00 C ATOM 1660 CG PRO A 106 19.187 -9.738 5.161 1.00 0.00 C ATOM 1661 CD PRO A 106 17.842 -9.396 5.768 1.00 0.00 C ATOM 0 HA PRO A 106 18.663 -6.954 4.330 1.00 0.00 H new ATOM 0 HB2 PRO A 106 19.047 -9.699 3.016 1.00 0.00 H new ATOM 0 HB3 PRO A 106 20.288 -8.648 3.671 1.00 0.00 H new ATOM 0 HG2 PRO A 106 19.283 -10.815 5.024 1.00 0.00 H new ATOM 0 HG3 PRO A 106 19.996 -9.428 5.822 1.00 0.00 H new ATOM 0 HD2 PRO A 106 17.226 -10.285 5.901 1.00 0.00 H new ATOM 0 HD3 PRO A 106 17.952 -8.935 6.750 1.00 0.00 H new ATOM 1669 N LYS A 107 18.400 -6.483 1.969 1.00 0.00 N ATOM 1670 CA LYS A 107 18.028 -5.974 0.651 1.00 0.00 C ATOM 1671 C LYS A 107 17.833 -7.093 -0.372 1.00 0.00 C ATOM 1672 O LYS A 107 16.798 -7.172 -1.030 1.00 0.00 O ATOM 1673 CB LYS A 107 19.088 -4.993 0.148 1.00 0.00 C ATOM 1674 CG LYS A 107 20.514 -5.495 0.313 1.00 0.00 C ATOM 1675 CD LYS A 107 21.112 -5.926 -1.016 1.00 0.00 C ATOM 1676 CE LYS A 107 21.942 -4.815 -1.641 1.00 0.00 C ATOM 1677 NZ LYS A 107 21.676 -4.676 -3.099 1.00 0.00 N ATOM 0 H LYS A 107 19.183 -5.991 2.399 1.00 0.00 H new ATOM 0 HA LYS A 107 17.072 -5.462 0.763 1.00 0.00 H new ATOM 0 HB2 LYS A 107 18.906 -4.784 -0.906 1.00 0.00 H new ATOM 0 HB3 LYS A 107 18.980 -4.050 0.683 1.00 0.00 H new ATOM 0 HG2 LYS A 107 21.129 -4.709 0.752 1.00 0.00 H new ATOM 0 HG3 LYS A 107 20.527 -6.335 1.008 1.00 0.00 H new ATOM 0 HD2 LYS A 107 21.736 -6.807 -0.867 1.00 0.00 H new ATOM 0 HD3 LYS A 107 20.313 -6.213 -1.700 1.00 0.00 H new ATOM 0 HE2 LYS A 107 21.722 -3.872 -1.140 1.00 0.00 H new ATOM 0 HE3 LYS A 107 23.001 -5.020 -1.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 22.261 -3.909 -3.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 21.910 -5.567 -3.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 20.671 -4.455 -3.249 1.00 0.00 H new ATOM 1691 N GLU A 108 18.835 -7.946 -0.521 1.00 0.00 N ATOM 1692 CA GLU A 108 18.758 -9.038 -1.484 1.00 0.00 C ATOM 1693 C GLU A 108 17.913 -10.194 -0.958 1.00 0.00 C ATOM 1694 O GLU A 108 17.334 -10.949 -1.739 1.00 0.00 O ATOM 1695 CB GLU A 108 20.163 -9.533 -1.840 1.00 0.00 C ATOM 1696 CG GLU A 108 20.623 -9.102 -3.223 1.00 0.00 C ATOM 1697 CD GLU A 108 19.805 -9.732 -4.333 1.00 0.00 C ATOM 1698 OE1 GLU A 108 18.748 -9.167 -4.685 1.00 0.00 O ATOM 1699 OE2 GLU A 108 20.219 -10.791 -4.849 1.00 0.00 O ATOM 0 H GLU A 108 19.706 -7.906 0.008 1.00 0.00 H new ATOM 0 HA GLU A 108 18.275 -8.652 -2.382 1.00 0.00 H new ATOM 0 HB2 GLU A 108 20.870 -9.161 -1.098 1.00 0.00 H new ATOM 0 HB3 GLU A 108 20.182 -10.621 -1.782 1.00 0.00 H new ATOM 0 HG2 GLU A 108 20.559 -8.017 -3.301 1.00 0.00 H new ATOM 0 HG3 GLU A 108 21.672 -9.370 -3.353 1.00 0.00 H new ATOM 1706 N GLU A 109 17.853 -10.341 0.363 1.00 0.00 N ATOM 1707 CA GLU A 109 17.082 -11.423 0.974 1.00 0.00 C ATOM 1708 C GLU A 109 15.697 -11.551 0.342 1.00 0.00 C ATOM 1709 O GLU A 109 15.289 -12.643 -0.053 1.00 0.00 O ATOM 1710 CB GLU A 109 16.944 -11.205 2.481 1.00 0.00 C ATOM 1711 CG GLU A 109 15.985 -12.182 3.141 1.00 0.00 C ATOM 1712 CD GLU A 109 16.236 -12.336 4.628 1.00 0.00 C ATOM 1713 OE1 GLU A 109 17.418 -12.345 5.033 1.00 0.00 O ATOM 1714 OE2 GLU A 109 15.251 -12.449 5.388 1.00 0.00 O ATOM 0 H GLU A 109 18.325 -9.729 1.028 1.00 0.00 H new ATOM 0 HA GLU A 109 17.627 -12.350 0.795 1.00 0.00 H new ATOM 0 HB2 GLU A 109 17.925 -11.298 2.947 1.00 0.00 H new ATOM 0 HB3 GLU A 109 16.599 -10.187 2.665 1.00 0.00 H new ATOM 0 HG2 GLU A 109 14.961 -11.842 2.983 1.00 0.00 H new ATOM 0 HG3 GLU A 109 16.076 -13.155 2.659 1.00 0.00 H new ATOM 1721 N TRP A 110 14.979 -10.436 0.242 1.00 0.00 N ATOM 1722 CA TRP A 110 13.647 -10.462 -0.354 1.00 0.00 C ATOM 1723 C TRP A 110 13.741 -10.654 -1.857 1.00 0.00 C ATOM 1724 O TRP A 110 13.269 -11.653 -2.397 1.00 0.00 O ATOM 1725 CB TRP A 110 12.843 -9.187 -0.048 1.00 0.00 C ATOM 1726 CG TRP A 110 13.652 -7.957 0.238 1.00 0.00 C ATOM 1727 CD1 TRP A 110 14.130 -7.560 1.452 1.00 0.00 C ATOM 1728 CD2 TRP A 110 14.048 -6.942 -0.699 1.00 0.00 C ATOM 1729 NE1 TRP A 110 14.794 -6.367 1.330 1.00 0.00 N ATOM 1730 CE2 TRP A 110 14.758 -5.966 0.021 1.00 0.00 C ATOM 1731 CE3 TRP A 110 13.873 -6.765 -2.076 1.00 0.00 C ATOM 1732 CZ2 TRP A 110 15.289 -4.829 -0.587 1.00 0.00 C ATOM 1733 CZ3 TRP A 110 14.402 -5.638 -2.676 1.00 0.00 C ATOM 1734 CH2 TRP A 110 15.101 -4.683 -1.932 1.00 0.00 C ATOM 0 H TRP A 110 15.290 -9.518 0.560 1.00 0.00 H new ATOM 0 HA TRP A 110 13.119 -11.304 0.093 1.00 0.00 H new ATOM 0 HB2 TRP A 110 12.190 -8.980 -0.896 1.00 0.00 H new ATOM 0 HB3 TRP A 110 12.200 -9.383 0.810 1.00 0.00 H new ATOM 0 HD1 TRP A 110 14.004 -8.106 2.375 1.00 0.00 H new ATOM 0 HE1 TRP A 110 15.243 -5.859 2.092 1.00 0.00 H new ATOM 0 HE3 TRP A 110 13.334 -7.496 -2.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 15.830 -4.090 -0.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 14.273 -5.493 -3.738 1.00 0.00 H new ATOM 0 HH2 TRP A 110 15.500 -3.812 -2.431 1.00 0.00 H new ATOM 1745 N ALA A 111 14.351 -9.684 -2.527 1.00 0.00 N ATOM 1746 CA ALA A 111 14.506 -9.723 -3.980 1.00 0.00 C ATOM 1747 C ALA A 111 13.224 -10.207 -4.659 1.00 0.00 C ATOM 1748 O ALA A 111 13.278 -10.798 -5.735 1.00 0.00 O ATOM 1749 CB ALA A 111 15.676 -10.617 -4.361 1.00 0.00 C ATOM 0 H ALA A 111 14.749 -8.855 -2.086 1.00 0.00 H new ATOM 0 HA ALA A 111 14.708 -8.709 -4.326 1.00 0.00 H new ATOM 0 HB1 ALA A 111 15.780 -10.637 -5.446 1.00 0.00 H new ATOM 0 HB2 ALA A 111 16.592 -10.228 -3.916 1.00 0.00 H new ATOM 0 HB3 ALA A 111 15.496 -11.628 -3.995 1.00 0.00 H new ATOM 1755 N ASP A 112 12.085 -9.946 -3.999 1.00 0.00 N ATOM 1756 CA ASP A 112 10.747 -10.334 -4.473 1.00 0.00 C ATOM 1757 C ASP A 112 9.995 -11.060 -3.368 1.00 0.00 C ATOM 1758 O ASP A 112 8.772 -10.960 -3.267 1.00 0.00 O ATOM 1759 CB ASP A 112 10.791 -11.220 -5.727 1.00 0.00 C ATOM 1760 CG ASP A 112 10.967 -10.414 -7.000 1.00 0.00 C ATOM 1761 OD1 ASP A 112 11.390 -9.243 -6.909 1.00 0.00 O ATOM 1762 OD2 ASP A 112 10.680 -10.955 -8.089 1.00 0.00 O ATOM 0 H ASP A 112 12.067 -9.452 -3.107 1.00 0.00 H new ATOM 0 HA ASP A 112 10.230 -9.413 -4.744 1.00 0.00 H new ATOM 0 HB2 ASP A 112 11.610 -11.933 -5.636 1.00 0.00 H new ATOM 0 HB3 ASP A 112 9.870 -11.799 -5.792 1.00 0.00 H new ATOM 1767 N VAL A 113 10.737 -11.781 -2.538 1.00 0.00 N ATOM 1768 CA VAL A 113 10.160 -12.516 -1.427 1.00 0.00 C ATOM 1769 C VAL A 113 9.489 -13.799 -1.898 1.00 0.00 C ATOM 1770 O VAL A 113 9.982 -14.895 -1.637 1.00 0.00 O ATOM 1771 CB VAL A 113 9.142 -11.658 -0.649 1.00 0.00 C ATOM 1772 CG1 VAL A 113 8.716 -12.358 0.626 1.00 0.00 C ATOM 1773 CG2 VAL A 113 9.727 -10.286 -0.347 1.00 0.00 C ATOM 0 H VAL A 113 11.750 -11.871 -2.617 1.00 0.00 H new ATOM 0 HA VAL A 113 10.983 -12.773 -0.760 1.00 0.00 H new ATOM 0 HB VAL A 113 8.256 -11.523 -1.270 1.00 0.00 H new ATOM 0 HG11 VAL A 113 7.998 -11.736 1.160 1.00 0.00 H new ATOM 0 HG12 VAL A 113 8.255 -13.314 0.379 1.00 0.00 H new ATOM 0 HG13 VAL A 113 9.589 -12.528 1.257 1.00 0.00 H new ATOM 0 HG21 VAL A 113 8.997 -9.692 0.202 1.00 0.00 H new ATOM 0 HG22 VAL A 113 10.629 -10.399 0.254 1.00 0.00 H new ATOM 0 HG23 VAL A 113 9.975 -9.783 -1.281 1.00 0.00 H new ATOM 1920 N LYS A 123 4.287 -3.309 10.673 1.00 0.00 N ATOM 1921 CA LYS A 123 3.886 -2.453 11.785 1.00 0.00 C ATOM 1922 C LYS A 123 3.957 -0.982 11.382 1.00 0.00 C ATOM 1923 O LYS A 123 3.223 -0.144 11.904 1.00 0.00 O ATOM 1924 CB LYS A 123 4.779 -2.706 13.002 1.00 0.00 C ATOM 1925 CG LYS A 123 6.237 -2.340 12.773 1.00 0.00 C ATOM 1926 CD LYS A 123 7.083 -2.619 14.006 1.00 0.00 C ATOM 1927 CE LYS A 123 7.917 -3.880 13.838 1.00 0.00 C ATOM 1928 NZ LYS A 123 8.268 -4.493 15.148 1.00 0.00 N ATOM 0 HA LYS A 123 2.856 -2.694 12.048 1.00 0.00 H new ATOM 0 HB2 LYS A 123 4.398 -2.133 13.847 1.00 0.00 H new ATOM 0 HB3 LYS A 123 4.716 -3.759 13.276 1.00 0.00 H new ATOM 0 HG2 LYS A 123 6.627 -2.907 11.927 1.00 0.00 H new ATOM 0 HG3 LYS A 123 6.311 -1.285 12.511 1.00 0.00 H new ATOM 0 HD2 LYS A 123 7.740 -1.770 14.197 1.00 0.00 H new ATOM 0 HD3 LYS A 123 6.435 -2.723 14.877 1.00 0.00 H new ATOM 0 HE2 LYS A 123 7.366 -4.602 13.236 1.00 0.00 H new ATOM 0 HE3 LYS A 123 8.830 -3.641 13.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 8.836 -5.349 14.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 8.816 -3.814 15.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 7.397 -4.745 15.658 1.00 0.00 H new ATOM 1942 N GLN A 124 4.848 -0.683 10.440 1.00 0.00 N ATOM 1943 CA GLN A 124 5.024 0.676 9.949 1.00 0.00 C ATOM 1944 C GLN A 124 3.945 1.032 8.936 1.00 0.00 C ATOM 1945 O GLN A 124 3.063 1.843 9.211 1.00 0.00 O ATOM 1946 CB GLN A 124 6.399 0.822 9.306 1.00 0.00 C ATOM 1947 CG GLN A 124 7.176 2.034 9.793 1.00 0.00 C ATOM 1948 CD GLN A 124 7.568 1.925 11.254 1.00 0.00 C ATOM 1949 OE1 GLN A 124 8.624 1.387 11.586 1.00 0.00 O ATOM 1950 NE2 GLN A 124 6.716 2.437 12.135 1.00 0.00 N ATOM 0 H GLN A 124 5.461 -1.370 10.001 1.00 0.00 H new ATOM 0 HA GLN A 124 4.943 1.358 10.796 1.00 0.00 H new ATOM 0 HB2 GLN A 124 6.982 -0.077 9.507 1.00 0.00 H new ATOM 0 HB3 GLN A 124 6.279 0.889 8.225 1.00 0.00 H new ATOM 0 HG2 GLN A 124 8.074 2.153 9.187 1.00 0.00 H new ATOM 0 HG3 GLN A 124 6.573 2.930 9.648 1.00 0.00 H new ATOM 0 HE21 GLN A 124 5.852 2.874 11.814 1.00 0.00 H new ATOM 0 HE22 GLN A 124 6.926 2.393 13.132 1.00 0.00 H new ATOM 1959 N LEU A 125 4.026 0.415 7.759 1.00 0.00 N ATOM 1960 CA LEU A 125 3.063 0.658 6.694 1.00 0.00 C ATOM 1961 C LEU A 125 1.637 0.648 7.235 1.00 0.00 C ATOM 1962 O LEU A 125 0.764 1.345 6.722 1.00 0.00 O ATOM 1963 CB LEU A 125 3.230 -0.401 5.598 1.00 0.00 C ATOM 1964 CG LEU A 125 1.956 -0.778 4.843 1.00 0.00 C ATOM 1965 CD1 LEU A 125 2.269 -1.082 3.388 1.00 0.00 C ATOM 1966 CD2 LEU A 125 1.283 -1.968 5.510 1.00 0.00 C ATOM 0 H LEU A 125 4.753 -0.259 7.521 1.00 0.00 H new ATOM 0 HA LEU A 125 3.251 1.645 6.270 1.00 0.00 H new ATOM 0 HB2 LEU A 125 3.964 -0.040 4.878 1.00 0.00 H new ATOM 0 HB3 LEU A 125 3.644 -1.303 6.049 1.00 0.00 H new ATOM 0 HG LEU A 125 1.269 0.068 4.872 1.00 0.00 H new ATOM 0 HD11 LEU A 125 1.350 -1.348 2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 125 2.710 -0.202 2.919 1.00 0.00 H new ATOM 0 HD13 LEU A 125 2.972 -1.914 3.333 1.00 0.00 H new ATOM 0 HD21 LEU A 125 0.377 -2.227 4.963 1.00 0.00 H new ATOM 0 HD22 LEU A 125 1.964 -2.819 5.508 1.00 0.00 H new ATOM 0 HD23 LEU A 125 1.026 -1.712 6.538 1.00 0.00 H new ATOM 1978 N ASP A 126 1.414 -0.144 8.277 1.00 0.00 N ATOM 1979 CA ASP A 126 0.090 -0.238 8.886 1.00 0.00 C ATOM 1980 C ASP A 126 -0.187 0.984 9.752 1.00 0.00 C ATOM 1981 O ASP A 126 -1.173 1.693 9.545 1.00 0.00 O ATOM 1982 CB ASP A 126 -0.034 -1.516 9.716 1.00 0.00 C ATOM 1983 CG ASP A 126 -1.376 -1.631 10.411 1.00 0.00 C ATOM 1984 OD1 ASP A 126 -1.681 -0.767 11.261 1.00 0.00 O ATOM 1985 OD2 ASP A 126 -2.123 -2.585 10.107 1.00 0.00 O ATOM 0 H ASP A 126 2.126 -0.727 8.716 1.00 0.00 H new ATOM 0 HA ASP A 126 -0.651 -0.273 8.087 1.00 0.00 H new ATOM 0 HB2 ASP A 126 0.111 -2.381 9.069 1.00 0.00 H new ATOM 0 HB3 ASP A 126 0.761 -1.539 10.462 1.00 0.00 H new ATOM 1990 N THR A 127 0.694 1.232 10.714 1.00 0.00 N ATOM 1991 CA THR A 127 0.549 2.377 11.602 1.00 0.00 C ATOM 1992 C THR A 127 0.490 3.672 10.797 1.00 0.00 C ATOM 1993 O THR A 127 -0.123 4.653 11.220 1.00 0.00 O ATOM 1994 CB THR A 127 1.712 2.431 12.596 1.00 0.00 C ATOM 1995 OG1 THR A 127 1.764 1.245 13.370 1.00 0.00 O ATOM 1996 CG2 THR A 127 1.630 3.600 13.553 1.00 0.00 C ATOM 0 H THR A 127 1.515 0.656 10.898 1.00 0.00 H new ATOM 0 HA THR A 127 -0.383 2.266 12.156 1.00 0.00 H new ATOM 0 HB THR A 127 2.608 2.546 11.986 1.00 0.00 H new ATOM 0 HG1 THR A 127 2.121 0.513 12.824 1.00 0.00 H new ATOM 0 HG21 THR A 127 2.485 3.577 14.229 1.00 0.00 H new ATOM 0 HG22 THR A 127 1.638 4.533 12.989 1.00 0.00 H new ATOM 0 HG23 THR A 127 0.708 3.533 14.131 1.00 0.00 H new ATOM 2004 N TYR A 128 1.129 3.665 9.632 1.00 0.00 N ATOM 2005 CA TYR A 128 1.148 4.834 8.766 1.00 0.00 C ATOM 2006 C TYR A 128 -0.191 5.004 8.059 1.00 0.00 C ATOM 2007 O TYR A 128 -0.706 6.116 7.957 1.00 0.00 O ATOM 2008 CB TYR A 128 2.279 4.720 7.741 1.00 0.00 C ATOM 2009 CG TYR A 128 3.591 5.299 8.227 1.00 0.00 C ATOM 2010 CD1 TYR A 128 4.297 4.697 9.261 1.00 0.00 C ATOM 2011 CD2 TYR A 128 4.124 6.445 7.650 1.00 0.00 C ATOM 2012 CE1 TYR A 128 5.495 5.221 9.709 1.00 0.00 C ATOM 2013 CE2 TYR A 128 5.323 6.974 8.091 1.00 0.00 C ATOM 2014 CZ TYR A 128 6.004 6.358 9.120 1.00 0.00 C ATOM 2015 OH TYR A 128 7.197 6.883 9.561 1.00 0.00 O ATOM 0 H TYR A 128 1.640 2.861 9.267 1.00 0.00 H new ATOM 0 HA TYR A 128 1.324 5.714 9.384 1.00 0.00 H new ATOM 0 HB2 TYR A 128 2.425 3.670 7.488 1.00 0.00 H new ATOM 0 HB3 TYR A 128 1.982 5.231 6.825 1.00 0.00 H new ATOM 0 HD1 TYR A 128 3.903 3.804 9.723 1.00 0.00 H new ATOM 0 HD2 TYR A 128 3.593 6.930 6.844 1.00 0.00 H new ATOM 0 HE1 TYR A 128 6.029 4.742 10.516 1.00 0.00 H new ATOM 0 HE2 TYR A 128 5.724 7.865 7.632 1.00 0.00 H new ATOM 0 HH TYR A 128 7.766 6.162 9.902 1.00 0.00 H new ATOM 2025 N ILE A 129 -0.756 3.898 7.579 1.00 0.00 N ATOM 2026 CA ILE A 129 -2.038 3.937 6.892 1.00 0.00 C ATOM 2027 C ILE A 129 -3.185 4.174 7.876 1.00 0.00 C ATOM 2028 O ILE A 129 -4.228 4.713 7.506 1.00 0.00 O ATOM 2029 CB ILE A 129 -2.311 2.633 6.115 1.00 0.00 C ATOM 2030 CG1 ILE A 129 -3.642 2.747 5.370 1.00 0.00 C ATOM 2031 CG2 ILE A 129 -2.322 1.443 7.064 1.00 0.00 C ATOM 2032 CD1 ILE A 129 -4.800 2.169 6.132 1.00 0.00 C ATOM 0 H ILE A 129 -0.345 2.968 7.655 1.00 0.00 H new ATOM 0 HA ILE A 129 -1.985 4.765 6.186 1.00 0.00 H new ATOM 0 HB ILE A 129 -1.515 2.476 5.387 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -3.843 3.797 5.158 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -3.558 2.238 4.410 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -2.516 0.530 6.501 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -1.355 1.365 7.560 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -3.103 1.581 7.811 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -5.713 2.282 5.548 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -4.619 1.111 6.321 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -4.909 2.694 7.081 1.00 0.00 H new ATOM 2044 N SER A 130 -2.988 3.767 9.127 1.00 0.00 N ATOM 2045 CA SER A 130 -4.011 3.936 10.151 1.00 0.00 C ATOM 2046 C SER A 130 -4.057 5.379 10.631 1.00 0.00 C ATOM 2047 O SER A 130 -5.129 5.933 10.872 1.00 0.00 O ATOM 2048 CB SER A 130 -3.743 2.999 11.331 1.00 0.00 C ATOM 2049 OG SER A 130 -4.459 3.410 12.483 1.00 0.00 O ATOM 0 H SER A 130 -2.132 3.319 9.454 1.00 0.00 H new ATOM 0 HA SER A 130 -4.977 3.685 9.713 1.00 0.00 H new ATOM 0 HB2 SER A 130 -4.031 1.982 11.064 1.00 0.00 H new ATOM 0 HB3 SER A 130 -2.675 2.981 11.550 1.00 0.00 H new ATOM 0 HG SER A 130 -4.272 2.794 13.222 1.00 0.00 H new ATOM 2055 N LYS A 131 -2.883 5.981 10.763 1.00 0.00 N ATOM 2056 CA LYS A 131 -2.778 7.363 11.209 1.00 0.00 C ATOM 2057 C LYS A 131 -2.985 8.324 10.043 1.00 0.00 C ATOM 2058 O LYS A 131 -3.456 9.444 10.226 1.00 0.00 O ATOM 2059 CB LYS A 131 -1.410 7.599 11.853 1.00 0.00 C ATOM 2060 CG LYS A 131 -1.299 7.076 13.280 1.00 0.00 C ATOM 2061 CD LYS A 131 -2.020 5.746 13.464 1.00 0.00 C ATOM 2062 CE LYS A 131 -2.054 5.329 14.925 1.00 0.00 C ATOM 2063 NZ LYS A 131 -0.709 4.930 15.424 1.00 0.00 N ATOM 0 H LYS A 131 -1.988 5.533 10.567 1.00 0.00 H new ATOM 0 HA LYS A 131 -3.557 7.550 11.948 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -0.645 7.122 11.241 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -1.198 8.668 11.851 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -0.247 6.956 13.540 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -1.716 7.811 13.968 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -3.038 5.827 13.084 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -1.521 4.976 12.876 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -2.434 6.153 15.528 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -2.748 4.497 15.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -0.542 5.362 16.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -0.664 3.895 15.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 0.019 5.254 14.756 1.00 0.00 H new ATOM 2077 N TYR A 132 -2.636 7.873 8.843 1.00 0.00 N ATOM 2078 CA TYR A 132 -2.787 8.687 7.642 1.00 0.00 C ATOM 2079 C TYR A 132 -4.253 8.992 7.344 1.00 0.00 C ATOM 2080 O TYR A 132 -4.552 9.838 6.502 1.00 0.00 O ATOM 2081 CB TYR A 132 -2.130 8.010 6.441 1.00 0.00 C ATOM 2082 CG TYR A 132 -0.717 8.491 6.188 1.00 0.00 C ATOM 2083 CD1 TYR A 132 -0.401 9.844 6.256 1.00 0.00 C ATOM 2084 CD2 TYR A 132 0.298 7.597 5.878 1.00 0.00 C ATOM 2085 CE1 TYR A 132 0.886 10.289 6.022 1.00 0.00 C ATOM 2086 CE2 TYR A 132 1.588 8.035 5.644 1.00 0.00 C ATOM 2087 CZ TYR A 132 1.876 9.381 5.717 1.00 0.00 C ATOM 2088 OH TYR A 132 3.159 9.820 5.484 1.00 0.00 O ATOM 0 H TYR A 132 -2.246 6.946 8.676 1.00 0.00 H new ATOM 0 HA TYR A 132 -2.283 9.635 7.829 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -2.117 6.932 6.601 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -2.734 8.193 5.553 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -1.175 10.559 6.496 1.00 0.00 H new ATOM 0 HD2 TYR A 132 0.076 6.542 5.819 1.00 0.00 H new ATOM 0 HE1 TYR A 132 1.115 11.343 6.078 1.00 0.00 H new ATOM 0 HE2 TYR A 132 2.367 7.326 5.405 1.00 0.00 H new ATOM 0 HH TYR A 132 3.736 9.053 5.284 1.00 0.00 H new ATOM 2098 N GLN A 133 -5.161 8.297 8.027 1.00 0.00 N ATOM 2099 CA GLN A 133 -6.597 8.495 7.831 1.00 0.00 C ATOM 2100 C GLN A 133 -7.034 9.891 8.287 1.00 0.00 C ATOM 2101 O GLN A 133 -7.919 10.037 9.130 1.00 0.00 O ATOM 2102 CB GLN A 133 -7.381 7.419 8.592 1.00 0.00 C ATOM 2103 CG GLN A 133 -8.281 6.578 7.702 1.00 0.00 C ATOM 2104 CD GLN A 133 -9.277 7.414 6.921 1.00 0.00 C ATOM 2105 OE1 GLN A 133 -9.122 8.628 6.794 1.00 0.00 O ATOM 2106 NE2 GLN A 133 -10.308 6.764 6.392 1.00 0.00 N ATOM 0 H GLN A 133 -4.927 7.589 8.723 1.00 0.00 H new ATOM 0 HA GLN A 133 -6.810 8.410 6.765 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -6.677 6.764 9.106 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -7.989 7.899 9.359 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -7.666 6.008 7.006 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -8.820 5.856 8.316 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -10.397 5.756 6.522 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -11.011 7.273 5.855 1.00 0.00 H new