USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 815 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 118 GLN : amide:sc= -0.0637 K(o=-0.064,f=1.3) USER MOD Set 1.2: A 120 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 77 LYS NZ :NH3+ -135:sc= 0.835 (180deg=-0.164) USER MOD Set 2.2: A 81 TYR OH : rot 30:sc= 1.01 USER MOD Set 3.1: A 8 SER OG : rot 57:sc= 0.186 USER MOD Set 3.2: A 22 SER OG : rot 180:sc= 0.192 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.0865 K(o=-0.086,f=-2.5!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 CYS SG : rot 180:sc= -5.03! USER MOD Single : A 26 SER OG : rot -24:sc= 0.448 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0.328 K(o=0.33,f=-4.5!) USER MOD Single : A 35 MET CE :methyl -160:sc= -0.119 (180deg=-0.568) USER MOD Single : A 40 GLN : amide:sc= -0.656 X(o=-0.66,f=-0.71) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -58:sc= 0.0636 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 147:sc= 0.906 (180deg=0.288) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= -0.0134 USER MOD Single : A 75 ASN : amide:sc= 0.313 K(o=0.31,f=-6.5!) USER MOD Single : A 78 ASN : amide:sc= -0.414 K(o=-0.41,f=-3.9!) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.192 USER MOD Single : A 83 GLN : amide:sc= 0.333 K(o=0.33,f=-3!) USER MOD Single : A 84 MET CE :methyl 180:sc= -0.405 (180deg=-0.405) USER MOD Single : A 85 ASN : amide:sc=-0.00342 K(o=-0.0034,f=-0.6) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 136:sc= -0.0418 (180deg=-0.623) USER MOD Single : A 92 THR OG1 : rot 88:sc= 0.194 USER MOD Single : A 95 TYR OH : rot 180:sc= 0.606 USER MOD Single : A 97 CYS SG : rot -8:sc= -2.88! USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= 0.433 X(o=0.43,f=-0.01) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N LEU A 3 1.610 2.414 -5.996 1.00 0.00 N ATOM 38 CA LEU A 3 2.361 2.878 -7.169 1.00 0.00 C ATOM 39 C LEU A 3 2.539 4.406 -7.037 1.00 0.00 C ATOM 40 O LEU A 3 1.568 5.157 -7.175 1.00 0.00 O ATOM 41 CB LEU A 3 1.572 2.484 -8.470 1.00 0.00 C ATOM 42 CG LEU A 3 2.388 2.218 -9.774 1.00 0.00 C ATOM 43 CD1 LEU A 3 3.109 3.479 -10.293 1.00 0.00 C ATOM 44 CD2 LEU A 3 3.360 1.034 -9.575 1.00 0.00 C ATOM 0 HA LEU A 3 3.346 2.414 -7.231 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.994 1.587 -8.250 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.858 3.280 -8.680 1.00 0.00 H new ATOM 0 HG LEU A 3 1.676 1.943 -10.552 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.660 3.235 -11.201 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.374 4.254 -10.512 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.802 3.840 -9.534 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.920 0.864 -10.495 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.053 1.264 -8.766 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.794 0.137 -9.324 1.00 0.00 H new ATOM 56 N GLN A 4 3.782 4.845 -6.759 1.00 0.00 N ATOM 57 CA GLN A 4 4.111 6.261 -6.501 1.00 0.00 C ATOM 58 C GLN A 4 4.977 6.804 -7.647 1.00 0.00 C ATOM 59 O GLN A 4 5.974 6.179 -8.017 1.00 0.00 O ATOM 60 CB GLN A 4 4.868 6.390 -5.151 1.00 0.00 C ATOM 61 CG GLN A 4 4.100 5.866 -3.922 1.00 0.00 C ATOM 62 CD GLN A 4 4.937 5.896 -2.639 1.00 0.00 C ATOM 63 OE1 GLN A 4 5.613 4.924 -2.297 1.00 0.00 O ATOM 64 NE2 GLN A 4 4.917 7.017 -1.937 1.00 0.00 N ATOM 0 H GLN A 4 4.590 4.225 -6.707 1.00 0.00 H new ATOM 0 HA GLN A 4 3.190 6.842 -6.443 1.00 0.00 H new ATOM 0 HB2 GLN A 4 5.812 5.851 -5.228 1.00 0.00 H new ATOM 0 HB3 GLN A 4 5.113 7.440 -4.988 1.00 0.00 H new ATOM 0 HG2 GLN A 4 3.202 6.466 -3.778 1.00 0.00 H new ATOM 0 HG3 GLN A 4 3.773 4.844 -4.113 1.00 0.00 H new ATOM 0 HE21 GLN A 4 4.346 7.803 -2.248 1.00 0.00 H new ATOM 0 HE22 GLN A 4 5.472 7.095 -1.085 1.00 0.00 H new ATOM 73 N LEU A 5 4.558 7.940 -8.227 1.00 0.00 N ATOM 74 CA LEU A 5 5.273 8.641 -9.311 1.00 0.00 C ATOM 75 C LEU A 5 5.359 10.149 -8.988 1.00 0.00 C ATOM 76 O LEU A 5 4.329 10.788 -8.770 1.00 0.00 O ATOM 77 CB LEU A 5 4.531 8.416 -10.654 1.00 0.00 C ATOM 78 CG LEU A 5 4.493 6.956 -11.203 1.00 0.00 C ATOM 79 CD1 LEU A 5 3.598 6.868 -12.457 1.00 0.00 C ATOM 80 CD2 LEU A 5 5.920 6.418 -11.483 1.00 0.00 C ATOM 0 H LEU A 5 3.695 8.408 -7.951 1.00 0.00 H new ATOM 0 HA LEU A 5 6.284 8.244 -9.398 1.00 0.00 H new ATOM 0 HB2 LEU A 5 3.504 8.761 -10.536 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.996 9.050 -11.409 1.00 0.00 H new ATOM 0 HG LEU A 5 4.056 6.319 -10.434 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.585 5.842 -12.824 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.584 7.175 -12.202 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.992 7.525 -13.232 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.856 5.399 -11.864 1.00 0.00 H new ATOM 0 HD22 LEU A 5 6.409 7.052 -12.222 1.00 0.00 H new ATOM 0 HD23 LEU A 5 6.499 6.424 -10.559 1.00 0.00 H new ATOM 92 N VAL A 6 6.580 10.705 -8.934 1.00 0.00 N ATOM 93 CA VAL A 6 6.809 12.150 -8.763 1.00 0.00 C ATOM 94 C VAL A 6 7.279 12.734 -10.105 1.00 0.00 C ATOM 95 O VAL A 6 8.444 12.589 -10.487 1.00 0.00 O ATOM 96 CB VAL A 6 7.878 12.451 -7.639 1.00 0.00 C ATOM 97 CG1 VAL A 6 8.070 13.982 -7.428 1.00 0.00 C ATOM 98 CG2 VAL A 6 7.491 11.751 -6.317 1.00 0.00 C ATOM 0 H VAL A 6 7.441 10.163 -9.008 1.00 0.00 H new ATOM 0 HA VAL A 6 5.874 12.614 -8.449 1.00 0.00 H new ATOM 0 HB VAL A 6 8.834 12.047 -7.972 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.812 14.152 -6.648 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.410 14.438 -8.358 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.122 14.430 -7.130 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.240 11.971 -5.556 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.518 12.114 -5.984 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.441 10.674 -6.477 1.00 0.00 H new ATOM 108 N GLU A 7 6.356 13.398 -10.802 1.00 0.00 N ATOM 109 CA GLU A 7 6.608 14.004 -12.116 1.00 0.00 C ATOM 110 C GLU A 7 7.189 15.411 -11.950 1.00 0.00 C ATOM 111 O GLU A 7 6.817 16.135 -11.023 1.00 0.00 O ATOM 112 CB GLU A 7 5.301 14.050 -12.932 1.00 0.00 C ATOM 113 CG GLU A 7 4.715 12.663 -13.233 1.00 0.00 C ATOM 114 CD GLU A 7 3.391 12.736 -13.991 1.00 0.00 C ATOM 115 OE1 GLU A 7 2.331 12.433 -13.401 1.00 0.00 O ATOM 116 OE2 GLU A 7 3.403 13.113 -15.182 1.00 0.00 O ATOM 0 H GLU A 7 5.401 13.533 -10.469 1.00 0.00 H new ATOM 0 HA GLU A 7 7.335 13.395 -12.654 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.562 14.637 -12.386 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.488 14.568 -13.873 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.433 12.089 -13.818 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.564 12.126 -12.297 1.00 0.00 H new ATOM 123 N SER A 8 8.090 15.781 -12.870 1.00 0.00 N ATOM 124 CA SER A 8 8.801 17.068 -12.849 1.00 0.00 C ATOM 125 C SER A 8 9.377 17.382 -14.243 1.00 0.00 C ATOM 126 O SER A 8 9.406 16.512 -15.126 1.00 0.00 O ATOM 127 CB SER A 8 9.920 17.032 -11.778 1.00 0.00 C ATOM 128 OG SER A 8 10.785 15.928 -11.973 1.00 0.00 O ATOM 0 H SER A 8 8.349 15.189 -13.659 1.00 0.00 H new ATOM 0 HA SER A 8 8.101 17.862 -12.589 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.494 17.958 -11.818 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.474 16.976 -10.785 1.00 0.00 H new ATOM 0 HG SER A 8 11.161 15.963 -12.877 1.00 0.00 H new ATOM 134 N GLY A 9 9.834 18.634 -14.429 1.00 0.00 N ATOM 135 CA GLY A 9 10.350 19.105 -15.723 1.00 0.00 C ATOM 136 C GLY A 9 9.320 19.943 -16.471 1.00 0.00 C ATOM 137 O GLY A 9 9.429 20.133 -17.689 1.00 0.00 O ATOM 0 H GLY A 9 9.855 19.340 -13.693 1.00 0.00 H new ATOM 0 HA2 GLY A 9 11.252 19.696 -15.562 1.00 0.00 H new ATOM 0 HA3 GLY A 9 10.635 18.249 -16.334 1.00 0.00 H new ATOM 141 N GLY A 10 8.302 20.431 -15.732 1.00 0.00 N ATOM 142 CA GLY A 10 7.255 21.283 -16.296 1.00 0.00 C ATOM 143 C GLY A 10 7.721 22.720 -16.477 1.00 0.00 C ATOM 144 O GLY A 10 8.357 23.283 -15.581 1.00 0.00 O ATOM 0 H GLY A 10 8.190 20.243 -14.736 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.940 20.881 -17.259 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.383 21.265 -15.643 1.00 0.00 H new ATOM 148 N GLY A 11 7.414 23.302 -17.647 1.00 0.00 N ATOM 149 CA GLY A 11 7.758 24.693 -17.946 1.00 0.00 C ATOM 150 C GLY A 11 7.262 25.117 -19.309 1.00 0.00 C ATOM 151 O GLY A 11 6.615 24.328 -20.020 1.00 0.00 O ATOM 0 H GLY A 11 6.925 22.823 -18.403 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.329 25.345 -17.185 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.840 24.817 -17.899 1.00 0.00 H new ATOM 155 N LEU A 12 7.562 26.372 -19.676 1.00 0.00 N ATOM 156 CA LEU A 12 7.179 26.935 -20.972 1.00 0.00 C ATOM 157 C LEU A 12 8.365 26.859 -21.946 1.00 0.00 C ATOM 158 O LEU A 12 9.491 27.227 -21.601 1.00 0.00 O ATOM 159 CB LEU A 12 6.654 28.393 -20.806 1.00 0.00 C ATOM 160 CG LEU A 12 5.936 29.066 -22.044 1.00 0.00 C ATOM 161 CD1 LEU A 12 4.946 30.164 -21.595 1.00 0.00 C ATOM 162 CD2 LEU A 12 6.947 29.661 -23.059 1.00 0.00 C ATOM 0 H LEU A 12 8.076 27.021 -19.081 1.00 0.00 H new ATOM 0 HA LEU A 12 6.363 26.347 -21.391 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.957 28.404 -19.968 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.498 29.023 -20.526 1.00 0.00 H new ATOM 0 HG LEU A 12 5.383 28.270 -22.543 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.470 30.605 -22.471 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.184 29.725 -20.951 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.484 30.937 -21.046 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.405 30.111 -23.891 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.553 30.421 -22.566 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.595 28.869 -23.435 1.00 0.00 H new ATOM 174 N VAL A 13 8.082 26.361 -23.153 1.00 0.00 N ATOM 175 CA VAL A 13 9.007 26.357 -24.304 1.00 0.00 C ATOM 176 C VAL A 13 8.203 26.745 -25.559 1.00 0.00 C ATOM 177 O VAL A 13 6.973 26.829 -25.506 1.00 0.00 O ATOM 178 CB VAL A 13 9.692 24.946 -24.512 1.00 0.00 C ATOM 179 CG1 VAL A 13 10.693 24.612 -23.372 1.00 0.00 C ATOM 180 CG2 VAL A 13 8.622 23.838 -24.650 1.00 0.00 C ATOM 0 H VAL A 13 7.180 25.936 -23.369 1.00 0.00 H new ATOM 0 HA VAL A 13 9.809 27.071 -24.117 1.00 0.00 H new ATOM 0 HB VAL A 13 10.265 24.993 -25.438 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.140 23.635 -23.555 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.476 25.369 -23.342 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.166 24.597 -22.418 1.00 0.00 H new ATOM 0 HG21 VAL A 13 9.112 22.875 -24.792 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.013 23.805 -23.746 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.986 24.052 -25.509 1.00 0.00 H new ATOM 190 N GLN A 14 8.897 26.989 -26.674 1.00 0.00 N ATOM 191 CA GLN A 14 8.251 27.304 -27.964 1.00 0.00 C ATOM 192 C GLN A 14 8.006 26.005 -28.762 1.00 0.00 C ATOM 193 O GLN A 14 8.717 24.999 -28.568 1.00 0.00 O ATOM 194 CB GLN A 14 9.088 28.333 -28.797 1.00 0.00 C ATOM 195 CG GLN A 14 10.366 27.800 -29.490 1.00 0.00 C ATOM 196 CD GLN A 14 11.456 27.271 -28.553 1.00 0.00 C ATOM 197 OE1 GLN A 14 11.612 27.735 -27.424 1.00 0.00 O ATOM 198 NE2 GLN A 14 12.215 26.287 -29.022 1.00 0.00 N ATOM 0 H GLN A 14 9.916 26.976 -26.715 1.00 0.00 H new ATOM 0 HA GLN A 14 7.290 27.774 -27.757 1.00 0.00 H new ATOM 0 HB2 GLN A 14 8.439 28.757 -29.563 1.00 0.00 H new ATOM 0 HB3 GLN A 14 9.377 29.150 -28.136 1.00 0.00 H new ATOM 0 HG2 GLN A 14 10.080 27.000 -30.174 1.00 0.00 H new ATOM 0 HG3 GLN A 14 10.790 28.601 -30.096 1.00 0.00 H new ATOM 0 HE21 GLN A 14 12.058 25.926 -29.963 1.00 0.00 H new ATOM 0 HE22 GLN A 14 12.955 25.892 -28.441 1.00 0.00 H new ATOM 207 N ALA A 15 6.991 26.047 -29.645 1.00 0.00 N ATOM 208 CA ALA A 15 6.586 24.904 -30.482 1.00 0.00 C ATOM 209 C ALA A 15 7.689 24.559 -31.495 1.00 0.00 C ATOM 210 O ALA A 15 8.143 25.419 -32.241 1.00 0.00 O ATOM 211 CB ALA A 15 5.251 25.211 -31.188 1.00 0.00 C ATOM 0 H ALA A 15 6.425 26.882 -29.798 1.00 0.00 H new ATOM 0 HA ALA A 15 6.439 24.032 -29.844 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.961 24.360 -31.804 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.479 25.398 -30.441 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.367 26.092 -31.819 1.00 0.00 H new ATOM 217 N GLY A 16 8.133 23.298 -31.487 1.00 0.00 N ATOM 218 CA GLY A 16 9.246 22.841 -32.329 1.00 0.00 C ATOM 219 C GLY A 16 10.492 22.568 -31.509 1.00 0.00 C ATOM 220 O GLY A 16 11.363 21.792 -31.928 1.00 0.00 O ATOM 0 H GLY A 16 7.733 22.567 -30.899 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.953 21.935 -32.859 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.465 23.596 -33.084 1.00 0.00 H new ATOM 224 N GLY A 17 10.568 23.212 -30.328 1.00 0.00 N ATOM 225 CA GLY A 17 11.620 22.946 -29.353 1.00 0.00 C ATOM 226 C GLY A 17 11.420 21.617 -28.631 1.00 0.00 C ATOM 227 O GLY A 17 10.415 20.929 -28.840 1.00 0.00 O ATOM 0 H GLY A 17 9.901 23.926 -30.033 1.00 0.00 H new ATOM 0 HA2 GLY A 17 12.586 22.941 -29.857 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.647 23.754 -28.621 1.00 0.00 H new ATOM 231 N SER A 18 12.395 21.241 -27.796 1.00 0.00 N ATOM 232 CA SER A 18 12.363 19.986 -27.026 1.00 0.00 C ATOM 233 C SER A 18 12.067 20.270 -25.539 1.00 0.00 C ATOM 234 O SER A 18 12.201 21.415 -25.071 1.00 0.00 O ATOM 235 CB SER A 18 13.709 19.237 -27.190 1.00 0.00 C ATOM 236 OG SER A 18 14.803 20.028 -26.758 1.00 0.00 O ATOM 0 H SER A 18 13.233 21.799 -27.632 1.00 0.00 H new ATOM 0 HA SER A 18 11.563 19.353 -27.410 1.00 0.00 H new ATOM 0 HB2 SER A 18 13.682 18.309 -26.618 1.00 0.00 H new ATOM 0 HB3 SER A 18 13.848 18.963 -28.236 1.00 0.00 H new ATOM 0 HG SER A 18 15.636 19.525 -26.874 1.00 0.00 H new ATOM 242 N LEU A 19 11.660 19.215 -24.814 1.00 0.00 N ATOM 243 CA LEU A 19 11.399 19.261 -23.366 1.00 0.00 C ATOM 244 C LEU A 19 11.455 17.832 -22.813 1.00 0.00 C ATOM 245 O LEU A 19 10.715 16.960 -23.278 1.00 0.00 O ATOM 246 CB LEU A 19 10.010 19.900 -23.075 1.00 0.00 C ATOM 247 CG LEU A 19 9.612 20.064 -21.576 1.00 0.00 C ATOM 248 CD1 LEU A 19 10.611 20.965 -20.824 1.00 0.00 C ATOM 249 CD2 LEU A 19 8.164 20.593 -21.437 1.00 0.00 C ATOM 0 H LEU A 19 11.501 18.294 -25.223 1.00 0.00 H new ATOM 0 HA LEU A 19 12.156 19.877 -22.880 1.00 0.00 H new ATOM 0 HB2 LEU A 19 9.984 20.884 -23.543 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.248 19.294 -23.565 1.00 0.00 H new ATOM 0 HG LEU A 19 9.651 19.077 -21.115 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.304 21.058 -19.782 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.606 20.523 -20.871 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.630 21.952 -21.286 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.915 20.697 -20.381 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.083 21.563 -21.927 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.474 19.891 -21.905 1.00 0.00 H new ATOM 261 N ARG A 20 12.342 17.581 -21.841 1.00 0.00 N ATOM 262 CA ARG A 20 12.423 16.271 -21.175 1.00 0.00 C ATOM 263 C ARG A 20 11.668 16.309 -19.839 1.00 0.00 C ATOM 264 O ARG A 20 11.954 17.137 -18.969 1.00 0.00 O ATOM 265 CB ARG A 20 13.889 15.826 -20.945 1.00 0.00 C ATOM 266 CG ARG A 20 14.019 14.449 -20.241 1.00 0.00 C ATOM 267 CD ARG A 20 15.474 14.021 -20.025 1.00 0.00 C ATOM 268 NE ARG A 20 16.177 13.800 -21.299 1.00 0.00 N ATOM 269 CZ ARG A 20 17.502 13.716 -21.451 1.00 0.00 C ATOM 270 NH1 ARG A 20 18.322 13.879 -20.418 1.00 0.00 N ATOM 271 NH2 ARG A 20 18.000 13.478 -22.650 1.00 0.00 N ATOM 0 H ARG A 20 13.014 18.267 -21.497 1.00 0.00 H new ATOM 0 HA ARG A 20 11.957 15.539 -21.835 1.00 0.00 H new ATOM 0 HB2 ARG A 20 14.401 15.783 -21.906 1.00 0.00 H new ATOM 0 HB3 ARG A 20 14.399 16.580 -20.346 1.00 0.00 H new ATOM 0 HG2 ARG A 20 13.512 14.491 -19.277 1.00 0.00 H new ATOM 0 HG3 ARG A 20 13.509 13.693 -20.837 1.00 0.00 H new ATOM 0 HD2 ARG A 20 15.996 14.786 -19.451 1.00 0.00 H new ATOM 0 HD3 ARG A 20 15.499 13.106 -19.433 1.00 0.00 H new ATOM 0 HE ARG A 20 15.604 13.703 -22.137 1.00 0.00 H new ATOM 0 HH11 ARG A 20 17.942 14.072 -19.491 1.00 0.00 H new ATOM 0 HH12 ARG A 20 19.331 13.812 -20.552 1.00 0.00 H new ATOM 0 HH21 ARG A 20 17.375 13.360 -23.448 1.00 0.00 H new ATOM 0 HH22 ARG A 20 19.010 13.412 -22.779 1.00 0.00 H new ATOM 285 N LEU A 21 10.690 15.410 -19.713 1.00 0.00 N ATOM 286 CA LEU A 21 9.955 15.166 -18.470 1.00 0.00 C ATOM 287 C LEU A 21 10.607 13.998 -17.728 1.00 0.00 C ATOM 288 O LEU A 21 11.105 13.056 -18.358 1.00 0.00 O ATOM 289 CB LEU A 21 8.453 14.867 -18.770 1.00 0.00 C ATOM 290 CG LEU A 21 7.570 16.087 -19.197 1.00 0.00 C ATOM 291 CD1 LEU A 21 7.583 17.185 -18.119 1.00 0.00 C ATOM 292 CD2 LEU A 21 7.985 16.653 -20.572 1.00 0.00 C ATOM 0 H LEU A 21 10.381 14.820 -20.486 1.00 0.00 H new ATOM 0 HA LEU A 21 9.994 16.056 -17.842 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.405 14.118 -19.561 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.010 14.420 -17.880 1.00 0.00 H new ATOM 0 HG LEU A 21 6.548 15.722 -19.297 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.961 18.020 -18.443 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.192 16.782 -17.185 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.605 17.532 -17.965 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.345 17.498 -20.826 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.023 16.984 -20.531 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.881 15.878 -21.331 1.00 0.00 H new ATOM 304 N SER A 22 10.600 14.069 -16.398 1.00 0.00 N ATOM 305 CA SER A 22 11.209 13.056 -15.530 1.00 0.00 C ATOM 306 C SER A 22 10.212 12.672 -14.428 1.00 0.00 C ATOM 307 O SER A 22 9.698 13.535 -13.709 1.00 0.00 O ATOM 308 CB SER A 22 12.530 13.597 -14.941 1.00 0.00 C ATOM 309 OG SER A 22 12.340 14.845 -14.293 1.00 0.00 O ATOM 0 H SER A 22 10.168 14.838 -15.885 1.00 0.00 H new ATOM 0 HA SER A 22 11.446 12.161 -16.105 1.00 0.00 H new ATOM 0 HB2 SER A 22 12.935 12.876 -14.231 1.00 0.00 H new ATOM 0 HB3 SER A 22 13.266 13.708 -15.737 1.00 0.00 H new ATOM 0 HG SER A 22 13.195 15.159 -13.930 1.00 0.00 H new ATOM 315 N CYS A 23 9.951 11.367 -14.314 1.00 0.00 N ATOM 316 CA CYS A 23 8.989 10.791 -13.375 1.00 0.00 C ATOM 317 C CYS A 23 9.719 9.776 -12.487 1.00 0.00 C ATOM 318 O CYS A 23 10.130 8.708 -12.953 1.00 0.00 O ATOM 319 CB CYS A 23 7.833 10.122 -14.148 1.00 0.00 C ATOM 320 SG CYS A 23 6.511 9.485 -13.109 1.00 0.00 S ATOM 0 H CYS A 23 10.416 10.664 -14.889 1.00 0.00 H new ATOM 0 HA CYS A 23 8.561 11.572 -12.747 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.413 10.846 -14.846 1.00 0.00 H new ATOM 0 HB3 CYS A 23 8.237 9.303 -14.743 1.00 0.00 H new ATOM 0 HG CYS A 23 5.593 8.947 -13.856 1.00 0.00 H new ATOM 326 N VAL A 24 9.896 10.141 -11.222 1.00 0.00 N ATOM 327 CA VAL A 24 10.607 9.334 -10.224 1.00 0.00 C ATOM 328 C VAL A 24 9.642 8.292 -9.641 1.00 0.00 C ATOM 329 O VAL A 24 8.546 8.648 -9.217 1.00 0.00 O ATOM 330 CB VAL A 24 11.137 10.272 -9.071 1.00 0.00 C ATOM 331 CG1 VAL A 24 11.855 9.485 -7.948 1.00 0.00 C ATOM 332 CG2 VAL A 24 12.051 11.387 -9.641 1.00 0.00 C ATOM 0 H VAL A 24 9.544 11.023 -10.849 1.00 0.00 H new ATOM 0 HA VAL A 24 11.452 8.828 -10.692 1.00 0.00 H new ATOM 0 HB VAL A 24 10.263 10.739 -8.617 1.00 0.00 H new ATOM 0 HG11 VAL A 24 12.199 10.178 -7.181 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.162 8.769 -7.505 1.00 0.00 H new ATOM 0 HG13 VAL A 24 12.709 8.953 -8.366 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.403 12.020 -8.827 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.905 10.935 -10.145 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.488 11.991 -10.352 1.00 0.00 H new ATOM 342 N ALA A 25 10.040 7.009 -9.606 1.00 0.00 N ATOM 343 CA ALA A 25 9.191 5.959 -9.028 1.00 0.00 C ATOM 344 C ALA A 25 9.464 5.885 -7.529 1.00 0.00 C ATOM 345 O ALA A 25 10.495 5.344 -7.106 1.00 0.00 O ATOM 346 CB ALA A 25 9.421 4.607 -9.713 1.00 0.00 C ATOM 0 H ALA A 25 10.935 6.678 -9.967 1.00 0.00 H new ATOM 0 HA ALA A 25 8.143 6.208 -9.192 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.776 3.855 -9.259 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.188 4.692 -10.774 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.463 4.311 -9.593 1.00 0.00 H new ATOM 352 N SER A 26 8.531 6.502 -6.764 1.00 0.00 N ATOM 353 CA SER A 26 8.550 6.638 -5.301 1.00 0.00 C ATOM 354 C SER A 26 9.737 7.502 -4.823 1.00 0.00 C ATOM 355 O SER A 26 9.553 8.677 -4.467 1.00 0.00 O ATOM 356 CB SER A 26 8.437 5.257 -4.585 1.00 0.00 C ATOM 357 OG SER A 26 9.548 4.400 -4.813 1.00 0.00 O ATOM 0 H SER A 26 7.707 6.937 -7.179 1.00 0.00 H new ATOM 0 HA SER A 26 7.656 7.186 -5.004 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.331 5.422 -3.513 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.529 4.757 -4.922 1.00 0.00 H new ATOM 0 HG SER A 26 9.990 4.653 -5.650 1.00 0.00 H new ATOM 363 N GLY A 27 10.944 6.927 -4.841 1.00 0.00 N ATOM 364 CA GLY A 27 12.178 7.645 -4.513 1.00 0.00 C ATOM 365 C GLY A 27 13.357 7.011 -5.219 1.00 0.00 C ATOM 366 O GLY A 27 14.008 7.645 -6.055 1.00 0.00 O ATOM 0 H GLY A 27 11.092 5.948 -5.084 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.088 8.691 -4.808 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.340 7.631 -3.435 1.00 0.00 H new ATOM 370 N ARG A 28 13.618 5.741 -4.867 1.00 0.00 N ATOM 371 CA ARG A 28 14.578 4.874 -5.562 1.00 0.00 C ATOM 372 C ARG A 28 14.349 3.430 -5.082 1.00 0.00 C ATOM 373 O ARG A 28 15.134 2.861 -4.315 1.00 0.00 O ATOM 374 CB ARG A 28 16.042 5.361 -5.349 1.00 0.00 C ATOM 375 CG ARG A 28 17.108 4.582 -6.151 1.00 0.00 C ATOM 376 CD ARG A 28 18.475 5.295 -6.182 1.00 0.00 C ATOM 377 NE ARG A 28 18.985 5.623 -4.828 1.00 0.00 N ATOM 378 CZ ARG A 28 20.263 5.515 -4.417 1.00 0.00 C ATOM 379 NH1 ARG A 28 21.197 5.006 -5.208 1.00 0.00 N ATOM 380 NH2 ARG A 28 20.601 5.919 -3.200 1.00 0.00 N ATOM 0 H ARG A 28 13.160 5.283 -4.079 1.00 0.00 H new ATOM 0 HA ARG A 28 14.417 4.915 -6.639 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.102 6.415 -5.620 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.283 5.291 -4.288 1.00 0.00 H new ATOM 0 HG2 ARG A 28 17.231 3.591 -5.715 1.00 0.00 H new ATOM 0 HG3 ARG A 28 16.755 4.440 -7.172 1.00 0.00 H new ATOM 0 HD2 ARG A 28 19.199 4.660 -6.694 1.00 0.00 H new ATOM 0 HD3 ARG A 28 18.388 6.212 -6.764 1.00 0.00 H new ATOM 0 HE ARG A 28 18.306 5.961 -4.146 1.00 0.00 H new ATOM 0 HH11 ARG A 28 20.953 4.688 -6.146 1.00 0.00 H new ATOM 0 HH12 ARG A 28 22.160 4.932 -4.879 1.00 0.00 H new ATOM 0 HH21 ARG A 28 19.894 6.310 -2.578 1.00 0.00 H new ATOM 0 HH22 ARG A 28 21.568 5.838 -2.886 1.00 0.00 H new ATOM 394 N THR A 29 13.176 2.905 -5.463 1.00 0.00 N ATOM 395 CA THR A 29 12.737 1.524 -5.185 1.00 0.00 C ATOM 396 C THR A 29 12.042 0.970 -6.449 1.00 0.00 C ATOM 397 O THR A 29 11.612 1.743 -7.315 1.00 0.00 O ATOM 398 CB THR A 29 11.775 1.489 -3.931 1.00 0.00 C ATOM 399 OG1 THR A 29 12.456 2.042 -2.793 1.00 0.00 O ATOM 400 CG2 THR A 29 11.283 0.072 -3.557 1.00 0.00 C ATOM 0 H THR A 29 12.485 3.441 -5.988 1.00 0.00 H new ATOM 0 HA THR A 29 13.596 0.897 -4.944 1.00 0.00 H new ATOM 0 HB THR A 29 10.898 2.074 -4.207 1.00 0.00 H new ATOM 0 HG1 THR A 29 11.861 2.023 -2.015 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.628 0.132 -2.688 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.734 -0.356 -4.396 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.139 -0.561 -3.323 1.00 0.00 H new ATOM 408 N PHE A 30 11.907 -0.361 -6.529 1.00 0.00 N ATOM 409 CA PHE A 30 11.364 -1.057 -7.702 1.00 0.00 C ATOM 410 C PHE A 30 9.921 -1.505 -7.403 1.00 0.00 C ATOM 411 O PHE A 30 9.663 -2.204 -6.418 1.00 0.00 O ATOM 412 CB PHE A 30 12.282 -2.266 -8.082 1.00 0.00 C ATOM 413 CG PHE A 30 12.548 -3.266 -6.944 1.00 0.00 C ATOM 414 CD1 PHE A 30 13.497 -2.994 -5.954 1.00 0.00 C ATOM 415 CD2 PHE A 30 11.835 -4.462 -6.852 1.00 0.00 C ATOM 416 CE1 PHE A 30 13.718 -3.878 -4.917 1.00 0.00 C ATOM 417 CE2 PHE A 30 12.060 -5.347 -5.817 1.00 0.00 C ATOM 418 CZ PHE A 30 12.998 -5.055 -4.848 1.00 0.00 C ATOM 0 H PHE A 30 12.175 -0.991 -5.773 1.00 0.00 H new ATOM 0 HA PHE A 30 11.342 -0.384 -8.559 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.826 -2.801 -8.915 1.00 0.00 H new ATOM 0 HB3 PHE A 30 13.238 -1.879 -8.436 1.00 0.00 H new ATOM 0 HD1 PHE A 30 14.066 -2.077 -6.001 1.00 0.00 H new ATOM 0 HD2 PHE A 30 11.095 -4.699 -7.603 1.00 0.00 H new ATOM 0 HE1 PHE A 30 14.454 -3.650 -4.160 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.501 -6.270 -5.765 1.00 0.00 H new ATOM 0 HZ PHE A 30 13.169 -5.746 -4.036 1.00 0.00 H new ATOM 428 N ARG A 31 8.991 -1.040 -8.245 1.00 0.00 N ATOM 429 CA ARG A 31 7.557 -1.372 -8.157 1.00 0.00 C ATOM 430 C ARG A 31 6.889 -0.893 -9.454 1.00 0.00 C ATOM 431 O ARG A 31 6.167 -1.649 -10.116 1.00 0.00 O ATOM 432 CB ARG A 31 6.875 -0.733 -6.883 1.00 0.00 C ATOM 433 CG ARG A 31 5.909 -1.667 -6.087 1.00 0.00 C ATOM 434 CD ARG A 31 4.534 -1.928 -6.758 1.00 0.00 C ATOM 435 NE ARG A 31 4.620 -2.643 -8.049 1.00 0.00 N ATOM 436 CZ ARG A 31 4.720 -3.977 -8.221 1.00 0.00 C ATOM 437 NH1 ARG A 31 4.692 -4.816 -7.191 1.00 0.00 N ATOM 438 NH2 ARG A 31 4.857 -4.463 -9.449 1.00 0.00 N ATOM 0 H ARG A 31 9.212 -0.413 -9.019 1.00 0.00 H new ATOM 0 HA ARG A 31 7.436 -2.449 -8.045 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.659 -0.392 -6.207 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.319 0.150 -7.197 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.405 -2.625 -5.929 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.737 -1.231 -5.103 1.00 0.00 H new ATOM 0 HD2 ARG A 31 3.912 -2.507 -6.075 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.032 -0.974 -6.916 1.00 0.00 H new ATOM 0 HE ARG A 31 4.602 -2.071 -8.893 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.593 -4.455 -6.242 1.00 0.00 H new ATOM 0 HH12 ARG A 31 4.770 -5.821 -7.349 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.886 -3.830 -10.248 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.934 -5.470 -9.593 1.00 0.00 H new ATOM 452 N SER A 32 7.149 0.380 -9.804 1.00 0.00 N ATOM 453 CA SER A 32 6.643 0.989 -11.038 1.00 0.00 C ATOM 454 C SER A 32 7.391 0.400 -12.248 1.00 0.00 C ATOM 455 O SER A 32 8.427 0.921 -12.683 1.00 0.00 O ATOM 456 CB SER A 32 6.787 2.522 -10.974 1.00 0.00 C ATOM 457 OG SER A 32 6.341 3.033 -9.720 1.00 0.00 O ATOM 0 H SER A 32 7.715 1.011 -9.237 1.00 0.00 H new ATOM 0 HA SER A 32 5.583 0.763 -11.150 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.830 2.798 -11.131 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.211 2.977 -11.780 1.00 0.00 H new ATOM 0 HG SER A 32 6.446 4.007 -9.708 1.00 0.00 H new ATOM 463 N ASN A 33 6.892 -0.746 -12.716 1.00 0.00 N ATOM 464 CA ASN A 33 7.418 -1.445 -13.896 1.00 0.00 C ATOM 465 C ASN A 33 6.651 -1.034 -15.153 1.00 0.00 C ATOM 466 O ASN A 33 7.194 -1.041 -16.262 1.00 0.00 O ATOM 467 CB ASN A 33 7.356 -2.981 -13.696 1.00 0.00 C ATOM 468 CG ASN A 33 5.940 -3.537 -13.481 1.00 0.00 C ATOM 469 OD1 ASN A 33 5.075 -2.894 -12.880 1.00 0.00 O ATOM 470 ND2 ASN A 33 5.702 -4.739 -13.971 1.00 0.00 N ATOM 0 H ASN A 33 6.101 -1.223 -12.282 1.00 0.00 H new ATOM 0 HA ASN A 33 8.462 -1.159 -14.024 1.00 0.00 H new ATOM 0 HB2 ASN A 33 7.795 -3.467 -14.567 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.972 -3.248 -12.838 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.781 -5.163 -13.858 1.00 0.00 H new ATOM 0 HD22 ASN A 33 6.439 -5.244 -14.463 1.00 0.00 H new ATOM 477 N ALA A 34 5.393 -0.633 -14.960 1.00 0.00 N ATOM 478 CA ALA A 34 4.462 -0.378 -16.060 1.00 0.00 C ATOM 479 C ALA A 34 3.652 0.893 -15.771 1.00 0.00 C ATOM 480 O ALA A 34 2.941 0.969 -14.764 1.00 0.00 O ATOM 481 CB ALA A 34 3.563 -1.613 -16.253 1.00 0.00 C ATOM 0 H ALA A 34 4.991 -0.476 -14.036 1.00 0.00 H new ATOM 0 HA ALA A 34 5.005 -0.209 -16.990 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.866 -1.431 -17.071 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.181 -2.480 -16.488 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.005 -1.804 -15.336 1.00 0.00 H new ATOM 487 N MET A 35 3.777 1.888 -16.674 1.00 0.00 N ATOM 488 CA MET A 35 3.175 3.236 -16.549 1.00 0.00 C ATOM 489 C MET A 35 2.899 3.789 -17.957 1.00 0.00 C ATOM 490 O MET A 35 3.709 3.590 -18.856 1.00 0.00 O ATOM 491 CB MET A 35 4.150 4.208 -15.809 1.00 0.00 C ATOM 492 CG MET A 35 4.495 3.843 -14.344 1.00 0.00 C ATOM 493 SD MET A 35 6.254 4.037 -13.977 1.00 0.00 S ATOM 494 CE MET A 35 6.975 2.793 -15.052 1.00 0.00 C ATOM 0 H MET A 35 4.314 1.775 -17.534 1.00 0.00 H new ATOM 0 HA MET A 35 2.251 3.158 -15.977 1.00 0.00 H new ATOM 0 HB2 MET A 35 5.079 4.261 -16.377 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.713 5.206 -15.820 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.915 4.473 -13.670 1.00 0.00 H new ATOM 0 HG3 MET A 35 4.199 2.812 -14.151 1.00 0.00 H new ATOM 0 HE1 MET A 35 7.975 2.541 -14.698 1.00 0.00 H new ATOM 0 HE2 MET A 35 6.351 1.899 -15.043 1.00 0.00 H new ATOM 0 HE3 MET A 35 7.037 3.182 -16.068 1.00 0.00 H new ATOM 504 N GLY A 36 1.774 4.496 -18.139 1.00 0.00 N ATOM 505 CA GLY A 36 1.441 5.133 -19.423 1.00 0.00 C ATOM 506 C GLY A 36 1.257 6.636 -19.266 1.00 0.00 C ATOM 507 O GLY A 36 0.624 7.070 -18.307 1.00 0.00 O ATOM 0 H GLY A 36 1.076 4.642 -17.410 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.233 4.935 -20.145 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.528 4.693 -19.823 1.00 0.00 H new ATOM 511 N TRP A 37 1.814 7.433 -20.200 1.00 0.00 N ATOM 512 CA TRP A 37 1.708 8.909 -20.173 1.00 0.00 C ATOM 513 C TRP A 37 0.423 9.363 -20.873 1.00 0.00 C ATOM 514 O TRP A 37 0.111 8.919 -21.986 1.00 0.00 O ATOM 515 CB TRP A 37 2.943 9.586 -20.834 1.00 0.00 C ATOM 516 CG TRP A 37 4.241 9.336 -20.104 1.00 0.00 C ATOM 517 CD1 TRP A 37 5.028 8.222 -20.180 1.00 0.00 C ATOM 518 CD2 TRP A 37 4.895 10.225 -19.180 1.00 0.00 C ATOM 519 NE1 TRP A 37 6.134 8.371 -19.386 1.00 0.00 N ATOM 520 CE2 TRP A 37 6.074 9.586 -18.757 1.00 0.00 C ATOM 521 CE3 TRP A 37 4.596 11.502 -18.676 1.00 0.00 C ATOM 522 CZ2 TRP A 37 6.957 10.177 -17.855 1.00 0.00 C ATOM 523 CZ3 TRP A 37 5.475 12.086 -17.781 1.00 0.00 C ATOM 524 CH2 TRP A 37 6.644 11.424 -17.379 1.00 0.00 C ATOM 0 H TRP A 37 2.348 7.075 -20.992 1.00 0.00 H new ATOM 0 HA TRP A 37 1.677 9.218 -19.128 1.00 0.00 H new ATOM 0 HB2 TRP A 37 3.038 9.225 -21.858 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.770 10.661 -20.889 1.00 0.00 H new ATOM 0 HD1 TRP A 37 4.810 7.350 -20.779 1.00 0.00 H new ATOM 0 HE1 TRP A 37 6.883 7.686 -19.280 1.00 0.00 H new ATOM 0 HE3 TRP A 37 3.698 12.018 -18.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 7.857 9.670 -17.542 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 5.257 13.067 -17.386 1.00 0.00 H new ATOM 0 HH2 TRP A 37 7.311 11.906 -16.680 1.00 0.00 H new ATOM 535 N PHE A 38 -0.320 10.226 -20.177 1.00 0.00 N ATOM 536 CA PHE A 38 -1.528 10.897 -20.682 1.00 0.00 C ATOM 537 C PHE A 38 -1.321 12.415 -20.563 1.00 0.00 C ATOM 538 O PHE A 38 -0.332 12.868 -19.971 1.00 0.00 O ATOM 539 CB PHE A 38 -2.788 10.472 -19.861 1.00 0.00 C ATOM 540 CG PHE A 38 -3.134 8.987 -19.929 1.00 0.00 C ATOM 541 CD1 PHE A 38 -4.086 8.513 -20.830 1.00 0.00 C ATOM 542 CD2 PHE A 38 -2.511 8.067 -19.087 1.00 0.00 C ATOM 543 CE1 PHE A 38 -4.405 7.170 -20.885 1.00 0.00 C ATOM 544 CE2 PHE A 38 -2.827 6.725 -19.144 1.00 0.00 C ATOM 545 CZ PHE A 38 -3.773 6.276 -20.045 1.00 0.00 C ATOM 0 H PHE A 38 -0.094 10.488 -19.217 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.692 10.612 -21.721 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.632 10.745 -18.817 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.644 11.045 -20.216 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.581 9.205 -21.495 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.770 8.410 -18.380 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.149 6.820 -21.585 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.335 6.026 -18.484 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.018 5.225 -20.092 1.00 0.00 H new ATOM 555 N ARG A 39 -2.248 13.198 -21.132 1.00 0.00 N ATOM 556 CA ARG A 39 -2.320 14.651 -20.889 1.00 0.00 C ATOM 557 C ARG A 39 -3.781 15.099 -20.838 1.00 0.00 C ATOM 558 O ARG A 39 -4.574 14.754 -21.713 1.00 0.00 O ATOM 559 CB ARG A 39 -1.542 15.470 -21.953 1.00 0.00 C ATOM 560 CG ARG A 39 -2.040 15.333 -23.411 1.00 0.00 C ATOM 561 CD ARG A 39 -1.390 16.362 -24.345 1.00 0.00 C ATOM 562 NE ARG A 39 -1.829 16.205 -25.741 1.00 0.00 N ATOM 563 CZ ARG A 39 -2.157 17.205 -26.567 1.00 0.00 C ATOM 564 NH1 ARG A 39 -2.147 18.460 -26.144 1.00 0.00 N ATOM 565 NH2 ARG A 39 -2.498 16.935 -27.816 1.00 0.00 N ATOM 0 H ARG A 39 -2.964 12.849 -21.769 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.843 14.844 -19.928 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.583 16.523 -21.674 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.494 15.171 -21.918 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.824 14.328 -23.774 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.123 15.455 -23.436 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.634 17.367 -24.001 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.306 16.262 -24.294 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.888 15.256 -26.109 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.888 18.671 -25.180 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.399 19.215 -26.782 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.510 15.969 -28.144 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.749 17.693 -28.451 1.00 0.00 H new ATOM 579 N GLN A 40 -4.129 15.869 -19.803 1.00 0.00 N ATOM 580 CA GLN A 40 -5.453 16.469 -19.661 1.00 0.00 C ATOM 581 C GLN A 40 -5.336 17.943 -20.051 1.00 0.00 C ATOM 582 O GLN A 40 -4.438 18.643 -19.576 1.00 0.00 O ATOM 583 CB GLN A 40 -5.957 16.312 -18.199 1.00 0.00 C ATOM 584 CG GLN A 40 -7.381 16.851 -17.960 1.00 0.00 C ATOM 585 CD GLN A 40 -8.475 16.094 -18.725 1.00 0.00 C ATOM 586 OE1 GLN A 40 -8.393 14.881 -18.931 1.00 0.00 O ATOM 587 NE2 GLN A 40 -9.500 16.814 -19.164 1.00 0.00 N ATOM 0 H GLN A 40 -3.494 16.093 -19.037 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.177 15.972 -20.307 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -5.930 15.256 -17.929 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -5.268 16.830 -17.532 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -7.601 16.805 -16.893 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -7.413 17.902 -18.247 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -9.537 17.816 -18.976 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -10.251 16.365 -19.689 1.00 0.00 H new ATOM 596 N ALA A 41 -6.236 18.412 -20.916 1.00 0.00 N ATOM 597 CA ALA A 41 -6.217 19.795 -21.423 1.00 0.00 C ATOM 598 C ALA A 41 -7.482 20.543 -20.964 1.00 0.00 C ATOM 599 O ALA A 41 -8.523 19.907 -20.756 1.00 0.00 O ATOM 600 CB ALA A 41 -6.097 19.780 -22.956 1.00 0.00 C ATOM 0 H ALA A 41 -7.000 17.848 -21.288 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.354 20.323 -21.018 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.083 20.804 -23.330 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.174 19.276 -23.244 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.948 19.250 -23.382 1.00 0.00 H new ATOM 606 N PRO A 42 -7.410 21.899 -20.755 1.00 0.00 N ATOM 607 CA PRO A 42 -8.609 22.723 -20.465 1.00 0.00 C ATOM 608 C PRO A 42 -9.625 22.670 -21.631 1.00 0.00 C ATOM 609 O PRO A 42 -9.435 23.314 -22.668 1.00 0.00 O ATOM 610 CB PRO A 42 -8.037 24.154 -20.245 1.00 0.00 C ATOM 611 CG PRO A 42 -6.685 24.138 -20.897 1.00 0.00 C ATOM 612 CD PRO A 42 -6.166 22.725 -20.740 1.00 0.00 C ATOM 0 HA PRO A 42 -9.166 22.369 -19.598 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.682 24.910 -20.693 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.960 24.389 -19.183 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.755 24.414 -21.949 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -6.015 24.855 -20.424 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.492 22.452 -21.552 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.612 22.601 -19.810 1.00 0.00 H new ATOM 620 N GLY A 43 -10.670 21.844 -21.457 1.00 0.00 N ATOM 621 CA GLY A 43 -11.734 21.700 -22.449 1.00 0.00 C ATOM 622 C GLY A 43 -11.579 20.478 -23.352 1.00 0.00 C ATOM 623 O GLY A 43 -12.351 20.314 -24.302 1.00 0.00 O ATOM 0 H GLY A 43 -10.795 21.263 -20.628 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -12.692 21.639 -21.933 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.763 22.596 -23.069 1.00 0.00 H new ATOM 627 N LYS A 44 -10.575 19.627 -23.065 1.00 0.00 N ATOM 628 CA LYS A 44 -10.331 18.365 -23.801 1.00 0.00 C ATOM 629 C LYS A 44 -9.959 17.253 -22.809 1.00 0.00 C ATOM 630 O LYS A 44 -9.177 17.478 -21.883 1.00 0.00 O ATOM 631 CB LYS A 44 -9.199 18.530 -24.867 1.00 0.00 C ATOM 632 CG LYS A 44 -9.522 19.445 -26.093 1.00 0.00 C ATOM 633 CD LYS A 44 -10.293 18.732 -27.248 1.00 0.00 C ATOM 634 CE LYS A 44 -11.736 18.312 -26.901 1.00 0.00 C ATOM 635 NZ LYS A 44 -12.441 17.713 -28.056 1.00 0.00 N ATOM 0 H LYS A 44 -9.906 19.794 -22.313 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.247 18.098 -24.328 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.316 18.928 -24.368 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.935 17.540 -25.240 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.112 20.295 -25.750 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.588 19.844 -26.489 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.321 19.397 -28.111 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.733 17.845 -27.546 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.716 17.596 -26.080 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.291 19.182 -26.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.406 17.447 -27.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.485 18.404 -28.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.928 16.866 -28.375 1.00 0.00 H new ATOM 649 N GLU A 45 -10.523 16.049 -23.036 1.00 0.00 N ATOM 650 CA GLU A 45 -10.273 14.853 -22.201 1.00 0.00 C ATOM 651 C GLU A 45 -8.816 14.359 -22.339 1.00 0.00 C ATOM 652 O GLU A 45 -8.058 14.860 -23.189 1.00 0.00 O ATOM 653 CB GLU A 45 -11.271 13.728 -22.585 1.00 0.00 C ATOM 654 CG GLU A 45 -11.187 13.272 -24.056 1.00 0.00 C ATOM 655 CD GLU A 45 -12.265 12.244 -24.430 1.00 0.00 C ATOM 656 OE1 GLU A 45 -13.339 12.645 -24.930 1.00 0.00 O ATOM 657 OE2 GLU A 45 -12.050 11.032 -24.218 1.00 0.00 O ATOM 0 H GLU A 45 -11.168 15.877 -23.807 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.425 15.127 -21.157 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.094 12.867 -21.940 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.285 14.074 -22.383 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.282 14.142 -24.706 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.203 12.841 -24.241 1.00 0.00 H new ATOM 664 N ARG A 46 -8.438 13.383 -21.487 1.00 0.00 N ATOM 665 CA ARG A 46 -7.079 12.811 -21.476 1.00 0.00 C ATOM 666 C ARG A 46 -6.737 12.148 -22.831 1.00 0.00 C ATOM 667 O ARG A 46 -7.490 11.308 -23.345 1.00 0.00 O ATOM 668 CB ARG A 46 -6.857 11.819 -20.277 1.00 0.00 C ATOM 669 CG ARG A 46 -7.473 10.391 -20.390 1.00 0.00 C ATOM 670 CD ARG A 46 -9.008 10.368 -20.549 1.00 0.00 C ATOM 671 NE ARG A 46 -9.715 10.990 -19.414 1.00 0.00 N ATOM 672 CZ ARG A 46 -11.047 11.035 -19.266 1.00 0.00 C ATOM 673 NH1 ARG A 46 -11.855 10.490 -20.172 1.00 0.00 N ATOM 674 NH2 ARG A 46 -11.567 11.622 -18.200 1.00 0.00 N ATOM 0 H ARG A 46 -9.063 12.973 -20.793 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.388 13.641 -21.327 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.783 11.709 -20.128 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.258 12.286 -19.377 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.024 9.882 -21.243 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.204 9.821 -19.501 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.280 10.887 -21.468 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.341 9.336 -20.656 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.146 11.420 -18.684 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.463 10.030 -20.994 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.866 10.533 -20.045 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.955 12.037 -17.497 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.579 11.660 -18.081 1.00 0.00 H new ATOM 688 N GLU A 47 -5.626 12.585 -23.424 1.00 0.00 N ATOM 689 CA GLU A 47 -5.081 11.987 -24.643 1.00 0.00 C ATOM 690 C GLU A 47 -4.043 10.941 -24.235 1.00 0.00 C ATOM 691 O GLU A 47 -3.138 11.247 -23.449 1.00 0.00 O ATOM 692 CB GLU A 47 -4.429 13.078 -25.536 1.00 0.00 C ATOM 693 CG GLU A 47 -3.817 12.561 -26.858 1.00 0.00 C ATOM 694 CD GLU A 47 -3.177 13.678 -27.704 1.00 0.00 C ATOM 695 OE1 GLU A 47 -1.938 13.875 -27.637 1.00 0.00 O ATOM 696 OE2 GLU A 47 -3.916 14.393 -28.416 1.00 0.00 O ATOM 0 H GLU A 47 -5.076 13.368 -23.070 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.878 11.518 -25.220 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.181 13.831 -25.771 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.648 13.577 -24.962 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.063 11.807 -26.632 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.594 12.070 -27.444 1.00 0.00 H new ATOM 703 N PHE A 48 -4.204 9.707 -24.740 1.00 0.00 N ATOM 704 CA PHE A 48 -3.241 8.622 -24.519 1.00 0.00 C ATOM 705 C PHE A 48 -2.021 8.873 -25.424 1.00 0.00 C ATOM 706 O PHE A 48 -2.087 8.706 -26.648 1.00 0.00 O ATOM 707 CB PHE A 48 -3.926 7.250 -24.808 1.00 0.00 C ATOM 708 CG PHE A 48 -3.092 5.992 -24.512 1.00 0.00 C ATOM 709 CD1 PHE A 48 -2.150 5.966 -23.479 1.00 0.00 C ATOM 710 CD2 PHE A 48 -3.277 4.822 -25.254 1.00 0.00 C ATOM 711 CE1 PHE A 48 -1.426 4.824 -23.210 1.00 0.00 C ATOM 712 CE2 PHE A 48 -2.547 3.681 -24.981 1.00 0.00 C ATOM 713 CZ PHE A 48 -1.623 3.683 -23.963 1.00 0.00 C ATOM 0 H PHE A 48 -5.004 9.436 -25.311 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.902 8.596 -23.484 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.844 7.197 -24.223 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.216 7.228 -25.858 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.987 6.852 -22.884 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.003 4.810 -26.054 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.703 4.822 -22.408 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.702 2.787 -25.567 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.051 2.792 -23.752 1.00 0.00 H new ATOM 723 N VAL A 49 -0.918 9.295 -24.791 1.00 0.00 N ATOM 724 CA VAL A 49 0.292 9.768 -25.482 1.00 0.00 C ATOM 725 C VAL A 49 1.305 8.627 -25.635 1.00 0.00 C ATOM 726 O VAL A 49 1.819 8.386 -26.738 1.00 0.00 O ATOM 727 CB VAL A 49 0.946 10.983 -24.712 1.00 0.00 C ATOM 728 CG1 VAL A 49 2.240 11.497 -25.412 1.00 0.00 C ATOM 729 CG2 VAL A 49 -0.083 12.129 -24.532 1.00 0.00 C ATOM 0 H VAL A 49 -0.839 9.318 -23.774 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.000 10.111 -26.474 1.00 0.00 H new ATOM 0 HB VAL A 49 1.243 10.623 -23.727 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.653 12.332 -24.846 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.973 10.692 -25.458 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.000 11.827 -26.423 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.384 12.957 -24.000 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.422 12.471 -25.510 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.936 11.765 -23.959 1.00 0.00 H new ATOM 739 N ALA A 50 1.565 7.908 -24.528 1.00 0.00 N ATOM 740 CA ALA A 50 2.660 6.929 -24.459 1.00 0.00 C ATOM 741 C ALA A 50 2.358 5.794 -23.472 1.00 0.00 C ATOM 742 O ALA A 50 1.475 5.921 -22.627 1.00 0.00 O ATOM 743 CB ALA A 50 3.955 7.654 -24.077 1.00 0.00 C ATOM 0 H ALA A 50 1.027 7.989 -23.665 1.00 0.00 H new ATOM 0 HA ALA A 50 2.772 6.466 -25.440 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.772 6.935 -24.024 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.185 8.409 -24.829 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.830 8.134 -23.107 1.00 0.00 H new ATOM 749 N ALA A 51 3.131 4.690 -23.578 1.00 0.00 N ATOM 750 CA ALA A 51 2.969 3.500 -22.722 1.00 0.00 C ATOM 751 C ALA A 51 4.296 2.732 -22.568 1.00 0.00 C ATOM 752 O ALA A 51 5.053 2.521 -23.538 1.00 0.00 O ATOM 753 CB ALA A 51 1.872 2.568 -23.271 1.00 0.00 C ATOM 0 H ALA A 51 3.884 4.602 -24.260 1.00 0.00 H new ATOM 0 HA ALA A 51 2.664 3.849 -21.736 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.774 1.699 -22.621 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.923 3.104 -23.306 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.141 2.241 -24.275 1.00 0.00 H new ATOM 759 N ILE A 52 4.566 2.356 -21.310 1.00 0.00 N ATOM 760 CA ILE A 52 5.663 1.474 -20.899 1.00 0.00 C ATOM 761 C ILE A 52 5.000 0.306 -20.163 1.00 0.00 C ATOM 762 O ILE A 52 4.307 0.528 -19.167 1.00 0.00 O ATOM 763 CB ILE A 52 6.713 2.167 -19.921 1.00 0.00 C ATOM 764 CG1 ILE A 52 7.295 3.519 -20.490 1.00 0.00 C ATOM 765 CG2 ILE A 52 7.858 1.177 -19.582 1.00 0.00 C ATOM 766 CD1 ILE A 52 6.390 4.737 -20.359 1.00 0.00 C ATOM 0 H ILE A 52 4.002 2.672 -20.521 1.00 0.00 H new ATOM 0 HA ILE A 52 6.229 1.177 -21.782 1.00 0.00 H new ATOM 0 HB ILE A 52 6.173 2.428 -19.011 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.235 3.731 -19.980 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.530 3.376 -21.545 1.00 0.00 H new ATOM 0 HG21 ILE A 52 8.570 1.660 -18.913 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.444 0.294 -19.095 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.366 0.880 -20.500 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.890 5.609 -20.782 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.458 4.557 -20.895 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.174 4.918 -19.306 1.00 0.00 H new ATOM 778 N ARG A 53 5.155 -0.915 -20.676 1.00 0.00 N ATOM 779 CA ARG A 53 4.535 -2.123 -20.094 1.00 0.00 C ATOM 780 C ARG A 53 5.628 -3.130 -19.724 1.00 0.00 C ATOM 781 O ARG A 53 6.112 -3.847 -20.606 1.00 0.00 O ATOM 782 CB ARG A 53 3.511 -2.707 -21.102 1.00 0.00 C ATOM 783 CG ARG A 53 2.237 -1.849 -21.267 1.00 0.00 C ATOM 784 CD ARG A 53 1.343 -2.310 -22.430 1.00 0.00 C ATOM 785 NE ARG A 53 1.039 -3.757 -22.394 1.00 0.00 N ATOM 786 CZ ARG A 53 0.144 -4.375 -23.176 1.00 0.00 C ATOM 787 NH1 ARG A 53 -0.654 -3.685 -23.978 1.00 0.00 N ATOM 788 NH2 ARG A 53 0.039 -5.692 -23.128 1.00 0.00 N ATOM 0 H ARG A 53 5.714 -1.103 -21.508 1.00 0.00 H new ATOM 0 HA ARG A 53 3.996 -1.876 -19.179 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.993 -2.815 -22.074 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.224 -3.707 -20.776 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.663 -1.881 -20.341 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.525 -0.810 -21.428 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.409 -1.749 -22.406 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.834 -2.072 -23.374 1.00 0.00 H new ATOM 0 HE ARG A 53 1.550 -4.329 -21.722 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.592 -2.667 -24.006 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.330 -4.172 -24.567 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.637 -6.229 -22.499 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.640 -6.171 -23.720 1.00 0.00 H new ATOM 851 N SER A 58 9.457 -0.056 -24.424 1.00 0.00 N ATOM 852 CA SER A 58 9.078 1.238 -23.814 1.00 0.00 C ATOM 853 C SER A 58 8.747 2.253 -24.921 1.00 0.00 C ATOM 854 O SER A 58 9.473 3.227 -25.123 1.00 0.00 O ATOM 855 CB SER A 58 10.208 1.737 -22.854 1.00 0.00 C ATOM 856 OG SER A 58 9.914 2.997 -22.271 1.00 0.00 O ATOM 0 HA SER A 58 8.182 1.115 -23.205 1.00 0.00 H new ATOM 0 HB2 SER A 58 10.359 1.002 -22.064 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.145 1.807 -23.407 1.00 0.00 H new ATOM 0 HG SER A 58 9.779 3.661 -22.979 1.00 0.00 H new ATOM 862 N THR A 59 7.647 2.001 -25.660 1.00 0.00 N ATOM 863 CA THR A 59 7.365 2.694 -26.930 1.00 0.00 C ATOM 864 C THR A 59 5.865 2.645 -27.222 1.00 0.00 C ATOM 865 O THR A 59 5.270 1.560 -27.258 1.00 0.00 O ATOM 866 CB THR A 59 8.172 2.078 -28.147 1.00 0.00 C ATOM 867 OG1 THR A 59 8.235 0.643 -28.033 1.00 0.00 O ATOM 868 CG2 THR A 59 9.598 2.658 -28.285 1.00 0.00 C ATOM 0 H THR A 59 6.937 1.318 -25.395 1.00 0.00 H new ATOM 0 HA THR A 59 7.691 3.728 -26.817 1.00 0.00 H new ATOM 0 HB THR A 59 7.627 2.354 -29.050 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.735 0.276 -28.792 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.098 2.196 -29.136 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.539 3.735 -28.440 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.164 2.452 -27.376 1.00 0.00 H new ATOM 876 N TYR A 60 5.282 3.833 -27.412 1.00 0.00 N ATOM 877 CA TYR A 60 3.890 4.009 -27.807 1.00 0.00 C ATOM 878 C TYR A 60 3.711 5.483 -28.166 1.00 0.00 C ATOM 879 O TYR A 60 3.935 6.348 -27.322 1.00 0.00 O ATOM 880 CB TYR A 60 2.917 3.589 -26.672 1.00 0.00 C ATOM 881 CG TYR A 60 1.531 3.155 -27.166 1.00 0.00 C ATOM 882 CD1 TYR A 60 0.559 4.089 -27.540 1.00 0.00 C ATOM 883 CD2 TYR A 60 1.216 1.799 -27.281 1.00 0.00 C ATOM 884 CE1 TYR A 60 -0.674 3.683 -28.008 1.00 0.00 C ATOM 885 CE2 TYR A 60 -0.018 1.393 -27.744 1.00 0.00 C ATOM 886 CZ TYR A 60 -0.956 2.336 -28.108 1.00 0.00 C ATOM 887 OH TYR A 60 -2.183 1.926 -28.568 1.00 0.00 O ATOM 0 H TYR A 60 5.780 4.715 -27.292 1.00 0.00 H new ATOM 0 HA TYR A 60 3.655 3.371 -28.659 1.00 0.00 H new ATOM 0 HB2 TYR A 60 3.364 2.769 -26.109 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.800 4.424 -25.981 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.777 5.144 -27.461 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.950 1.057 -27.003 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.414 4.415 -28.294 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.249 0.341 -27.821 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.218 0.947 -28.578 1.00 0.00 H new ATOM 897 N TYR A 61 3.374 5.746 -29.426 1.00 0.00 N ATOM 898 CA TYR A 61 3.218 7.105 -29.968 1.00 0.00 C ATOM 899 C TYR A 61 2.472 7.032 -31.306 1.00 0.00 C ATOM 900 O TYR A 61 2.528 6.009 -32.002 1.00 0.00 O ATOM 901 CB TYR A 61 4.608 7.831 -30.119 1.00 0.00 C ATOM 902 CG TYR A 61 5.769 6.931 -30.617 1.00 0.00 C ATOM 903 CD1 TYR A 61 5.906 6.581 -31.965 1.00 0.00 C ATOM 904 CD2 TYR A 61 6.708 6.407 -29.715 1.00 0.00 C ATOM 905 CE1 TYR A 61 6.929 5.749 -32.388 1.00 0.00 C ATOM 906 CE2 TYR A 61 7.730 5.583 -30.136 1.00 0.00 C ATOM 907 CZ TYR A 61 7.836 5.255 -31.468 1.00 0.00 C ATOM 908 OH TYR A 61 8.849 4.416 -31.885 1.00 0.00 O ATOM 0 H TYR A 61 3.198 5.014 -30.114 1.00 0.00 H new ATOM 0 HA TYR A 61 2.632 7.701 -29.268 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.492 8.664 -30.812 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.886 8.255 -29.154 1.00 0.00 H new ATOM 0 HD1 TYR A 61 5.202 6.966 -32.688 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.628 6.655 -28.667 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.018 5.487 -33.432 1.00 0.00 H new ATOM 0 HE2 TYR A 61 8.444 5.197 -29.424 1.00 0.00 H new ATOM 0 HH TYR A 61 9.399 4.160 -31.116 1.00 0.00 H new ATOM 918 N ALA A 62 1.753 8.114 -31.636 1.00 0.00 N ATOM 919 CA ALA A 62 1.081 8.274 -32.938 1.00 0.00 C ATOM 920 C ALA A 62 2.110 8.494 -34.064 1.00 0.00 C ATOM 921 O ALA A 62 3.255 8.872 -33.796 1.00 0.00 O ATOM 922 CB ALA A 62 0.080 9.444 -32.870 1.00 0.00 C ATOM 0 H ALA A 62 1.619 8.906 -31.008 1.00 0.00 H new ATOM 0 HA ALA A 62 0.534 7.359 -33.165 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.413 9.557 -33.835 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.667 9.240 -32.103 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.611 10.363 -32.624 1.00 0.00 H new ATOM 928 N ASP A 63 1.687 8.263 -35.319 1.00 0.00 N ATOM 929 CA ASP A 63 2.545 8.447 -36.517 1.00 0.00 C ATOM 930 C ASP A 63 2.908 9.935 -36.696 1.00 0.00 C ATOM 931 O ASP A 63 3.973 10.273 -37.228 1.00 0.00 O ATOM 932 CB ASP A 63 1.822 7.900 -37.779 1.00 0.00 C ATOM 933 CG ASP A 63 2.704 7.905 -39.049 1.00 0.00 C ATOM 934 OD1 ASP A 63 3.442 6.926 -39.271 1.00 0.00 O ATOM 935 OD2 ASP A 63 2.669 8.893 -39.822 1.00 0.00 O ATOM 0 H ASP A 63 0.743 7.944 -35.538 1.00 0.00 H new ATOM 0 HA ASP A 63 3.470 7.887 -36.378 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.488 6.881 -37.583 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.930 8.498 -37.964 1.00 0.00 H new ATOM 940 N SER A 64 2.009 10.805 -36.208 1.00 0.00 N ATOM 941 CA SER A 64 2.188 12.258 -36.225 1.00 0.00 C ATOM 942 C SER A 64 3.322 12.699 -35.271 1.00 0.00 C ATOM 943 O SER A 64 3.975 13.717 -35.507 1.00 0.00 O ATOM 944 CB SER A 64 0.857 12.934 -35.842 1.00 0.00 C ATOM 945 OG SER A 64 0.426 12.529 -34.546 1.00 0.00 O ATOM 0 H SER A 64 1.128 10.511 -35.786 1.00 0.00 H new ATOM 0 HA SER A 64 2.477 12.566 -37.230 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.976 14.017 -35.866 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.093 12.681 -36.577 1.00 0.00 H new ATOM 0 HG SER A 64 -0.419 12.974 -34.328 1.00 0.00 H new ATOM 951 N VAL A 65 3.554 11.912 -34.193 1.00 0.00 N ATOM 952 CA VAL A 65 4.614 12.185 -33.188 1.00 0.00 C ATOM 953 C VAL A 65 5.680 11.061 -33.176 1.00 0.00 C ATOM 954 O VAL A 65 6.450 10.927 -32.210 1.00 0.00 O ATOM 955 CB VAL A 65 4.004 12.400 -31.747 1.00 0.00 C ATOM 956 CG1 VAL A 65 3.117 13.669 -31.692 1.00 0.00 C ATOM 957 CG2 VAL A 65 3.221 11.158 -31.267 1.00 0.00 C ATOM 0 H VAL A 65 3.013 11.070 -33.994 1.00 0.00 H new ATOM 0 HA VAL A 65 5.107 13.112 -33.480 1.00 0.00 H new ATOM 0 HB VAL A 65 4.841 12.546 -31.064 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.713 13.787 -30.687 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.716 14.543 -31.948 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.297 13.571 -32.403 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.817 11.345 -30.272 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.403 10.954 -31.958 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.890 10.298 -31.231 1.00 0.00 H new ATOM 967 N LYS A 66 5.740 10.287 -34.278 1.00 0.00 N ATOM 968 CA LYS A 66 6.731 9.205 -34.474 1.00 0.00 C ATOM 969 C LYS A 66 8.150 9.793 -34.624 1.00 0.00 C ATOM 970 O LYS A 66 8.403 10.602 -35.522 1.00 0.00 O ATOM 971 CB LYS A 66 6.357 8.364 -35.723 1.00 0.00 C ATOM 972 CG LYS A 66 7.372 7.254 -36.094 1.00 0.00 C ATOM 973 CD LYS A 66 6.936 6.434 -37.330 1.00 0.00 C ATOM 974 CE LYS A 66 5.652 5.618 -37.086 1.00 0.00 C ATOM 975 NZ LYS A 66 5.214 4.888 -38.298 1.00 0.00 N ATOM 0 H LYS A 66 5.098 10.394 -35.064 1.00 0.00 H new ATOM 0 HA LYS A 66 6.721 8.556 -33.598 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.384 7.903 -35.554 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.248 9.035 -36.575 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.344 7.707 -36.288 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.497 6.583 -35.244 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.777 7.110 -38.170 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.742 5.757 -37.614 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.824 4.907 -36.278 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.856 6.286 -36.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.765 3.992 -38.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.531 5.468 -38.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.038 4.690 -38.901 1.00 0.00 H new ATOM 989 N GLY A 67 9.061 9.391 -33.720 1.00 0.00 N ATOM 990 CA GLY A 67 10.427 9.933 -33.681 1.00 0.00 C ATOM 991 C GLY A 67 10.539 11.193 -32.828 1.00 0.00 C ATOM 992 O GLY A 67 11.630 11.551 -32.378 1.00 0.00 O ATOM 0 H GLY A 67 8.872 8.689 -33.004 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.103 9.173 -33.289 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.753 10.157 -34.697 1.00 0.00 H new ATOM 996 N ARG A 68 9.397 11.861 -32.610 1.00 0.00 N ATOM 997 CA ARG A 68 9.311 13.125 -31.873 1.00 0.00 C ATOM 998 C ARG A 68 9.196 12.850 -30.367 1.00 0.00 C ATOM 999 O ARG A 68 10.134 13.101 -29.602 1.00 0.00 O ATOM 1000 CB ARG A 68 8.087 13.925 -32.390 1.00 0.00 C ATOM 1001 CG ARG A 68 8.213 14.433 -33.836 1.00 0.00 C ATOM 1002 CD ARG A 68 6.906 15.065 -34.345 1.00 0.00 C ATOM 1003 NE ARG A 68 6.338 16.039 -33.391 1.00 0.00 N ATOM 1004 CZ ARG A 68 5.112 16.579 -33.477 1.00 0.00 C ATOM 1005 NH1 ARG A 68 4.289 16.251 -34.461 1.00 0.00 N ATOM 1006 NH2 ARG A 68 4.711 17.442 -32.557 1.00 0.00 N ATOM 0 H ARG A 68 8.493 11.530 -32.948 1.00 0.00 H new ATOM 0 HA ARG A 68 10.214 13.714 -32.035 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.201 13.294 -32.317 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.925 14.779 -31.733 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.016 15.168 -33.893 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.492 13.605 -34.487 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.093 15.561 -35.297 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.176 14.278 -34.534 1.00 0.00 H new ATOM 0 HE ARG A 68 6.923 16.324 -32.605 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.583 15.578 -35.169 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.361 16.671 -34.511 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.332 17.693 -31.788 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.781 17.856 -32.617 1.00 0.00 H new ATOM 1020 N PHE A 69 8.034 12.316 -29.957 1.00 0.00 N ATOM 1021 CA PHE A 69 7.759 11.976 -28.556 1.00 0.00 C ATOM 1022 C PHE A 69 8.291 10.562 -28.285 1.00 0.00 C ATOM 1023 O PHE A 69 7.882 9.598 -28.942 1.00 0.00 O ATOM 1024 CB PHE A 69 6.236 12.088 -28.264 1.00 0.00 C ATOM 1025 CG PHE A 69 5.697 13.529 -28.216 1.00 0.00 C ATOM 1026 CD1 PHE A 69 5.862 14.395 -29.299 1.00 0.00 C ATOM 1027 CD2 PHE A 69 5.016 14.010 -27.093 1.00 0.00 C ATOM 1028 CE1 PHE A 69 5.374 15.684 -29.266 1.00 0.00 C ATOM 1029 CE2 PHE A 69 4.528 15.304 -27.063 1.00 0.00 C ATOM 1030 CZ PHE A 69 4.708 16.138 -28.150 1.00 0.00 C ATOM 0 H PHE A 69 7.261 12.109 -30.589 1.00 0.00 H new ATOM 0 HA PHE A 69 8.263 12.675 -27.888 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.691 11.536 -29.029 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.026 11.603 -27.311 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.382 14.048 -30.180 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.870 13.364 -26.240 1.00 0.00 H new ATOM 0 HE1 PHE A 69 5.514 16.337 -30.115 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.005 15.663 -26.189 1.00 0.00 H new ATOM 0 HZ PHE A 69 4.326 17.148 -28.124 1.00 0.00 H new ATOM 1040 N THR A 70 9.211 10.465 -27.323 1.00 0.00 N ATOM 1041 CA THR A 70 9.929 9.233 -26.992 1.00 0.00 C ATOM 1042 C THR A 70 9.846 9.010 -25.477 1.00 0.00 C ATOM 1043 O THR A 70 9.930 9.965 -24.705 1.00 0.00 O ATOM 1044 CB THR A 70 11.431 9.340 -27.442 1.00 0.00 C ATOM 1045 OG1 THR A 70 11.500 9.704 -28.834 1.00 0.00 O ATOM 1046 CG2 THR A 70 12.204 8.021 -27.214 1.00 0.00 C ATOM 0 H THR A 70 9.483 11.257 -26.741 1.00 0.00 H new ATOM 0 HA THR A 70 9.476 8.391 -27.516 1.00 0.00 H new ATOM 0 HB THR A 70 11.900 10.110 -26.829 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.438 9.771 -29.108 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.237 8.144 -27.540 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.186 7.767 -26.154 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.735 7.221 -27.787 1.00 0.00 H new ATOM 1054 N ILE A 71 9.669 7.754 -25.061 1.00 0.00 N ATOM 1055 CA ILE A 71 9.657 7.362 -23.645 1.00 0.00 C ATOM 1056 C ILE A 71 10.728 6.313 -23.405 1.00 0.00 C ATOM 1057 O ILE A 71 11.033 5.498 -24.280 1.00 0.00 O ATOM 1058 CB ILE A 71 8.256 6.827 -23.125 1.00 0.00 C ATOM 1059 CG1 ILE A 71 7.637 5.698 -24.029 1.00 0.00 C ATOM 1060 CG2 ILE A 71 7.269 7.983 -22.932 1.00 0.00 C ATOM 1061 CD1 ILE A 71 7.079 6.133 -25.384 1.00 0.00 C ATOM 0 H ILE A 71 9.529 6.972 -25.701 1.00 0.00 H new ATOM 0 HA ILE A 71 9.858 8.269 -23.075 1.00 0.00 H new ATOM 0 HB ILE A 71 8.449 6.361 -22.158 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.404 4.943 -24.203 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.835 5.215 -23.470 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.316 7.592 -22.575 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.670 8.685 -22.201 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.118 8.495 -23.882 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.682 5.265 -25.910 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.282 6.861 -25.233 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.874 6.584 -25.977 1.00 0.00 H new ATOM 1073 N SER A 72 11.295 6.359 -22.208 1.00 0.00 N ATOM 1074 CA SER A 72 12.340 5.442 -21.770 1.00 0.00 C ATOM 1075 C SER A 72 12.182 5.207 -20.275 1.00 0.00 C ATOM 1076 O SER A 72 12.002 6.156 -19.519 1.00 0.00 O ATOM 1077 CB SER A 72 13.727 6.046 -22.085 1.00 0.00 C ATOM 1078 OG SER A 72 13.852 7.367 -21.563 1.00 0.00 O ATOM 0 H SER A 72 11.038 7.047 -21.500 1.00 0.00 H new ATOM 0 HA SER A 72 12.256 4.491 -22.296 1.00 0.00 H new ATOM 0 HB2 SER A 72 14.506 5.411 -21.662 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.881 6.064 -23.164 1.00 0.00 H new ATOM 0 HG SER A 72 14.740 7.721 -21.777 1.00 0.00 H new ATOM 1084 N ARG A 73 12.246 3.951 -19.852 1.00 0.00 N ATOM 1085 CA ARG A 73 12.218 3.591 -18.433 1.00 0.00 C ATOM 1086 C ARG A 73 13.559 2.970 -18.061 1.00 0.00 C ATOM 1087 O ARG A 73 13.993 2.008 -18.701 1.00 0.00 O ATOM 1088 CB ARG A 73 11.070 2.602 -18.136 1.00 0.00 C ATOM 1089 CG ARG A 73 11.039 2.107 -16.669 1.00 0.00 C ATOM 1090 CD ARG A 73 10.043 0.964 -16.445 1.00 0.00 C ATOM 1091 NE ARG A 73 10.152 0.421 -15.083 1.00 0.00 N ATOM 1092 CZ ARG A 73 10.694 -0.763 -14.757 1.00 0.00 C ATOM 1093 NH1 ARG A 73 11.164 -1.592 -15.684 1.00 0.00 N ATOM 1094 NH2 ARG A 73 10.733 -1.122 -13.486 1.00 0.00 N ATOM 0 H ARG A 73 12.319 3.150 -20.480 1.00 0.00 H new ATOM 0 HA ARG A 73 12.044 4.487 -17.838 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.119 3.082 -18.368 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.163 1.742 -18.799 1.00 0.00 H new ATOM 0 HG2 ARG A 73 12.037 1.774 -16.382 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.781 2.940 -16.015 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.028 1.324 -16.615 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.226 0.172 -17.171 1.00 0.00 H new ATOM 0 HE ARG A 73 9.785 0.992 -14.322 1.00 0.00 H new ATOM 0 HH11 ARG A 73 11.118 -1.334 -16.670 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.571 -2.486 -15.409 1.00 0.00 H new ATOM 0 HH21 ARG A 73 10.355 -0.503 -12.769 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.141 -2.018 -13.222 1.00 0.00 H new ATOM 1108 N ASP A 74 14.216 3.530 -17.041 1.00 0.00 N ATOM 1109 CA ASP A 74 15.452 2.970 -16.489 1.00 0.00 C ATOM 1110 C ASP A 74 15.126 2.264 -15.168 1.00 0.00 C ATOM 1111 O ASP A 74 14.798 2.923 -14.183 1.00 0.00 O ATOM 1112 CB ASP A 74 16.510 4.077 -16.273 1.00 0.00 C ATOM 1113 CG ASP A 74 17.919 3.500 -16.060 1.00 0.00 C ATOM 1114 OD1 ASP A 74 18.229 3.089 -14.934 1.00 0.00 O ATOM 1115 OD2 ASP A 74 18.707 3.428 -17.027 1.00 0.00 O ATOM 0 H ASP A 74 13.906 4.383 -16.576 1.00 0.00 H new ATOM 0 HA ASP A 74 15.872 2.251 -17.193 1.00 0.00 H new ATOM 0 HB2 ASP A 74 16.518 4.743 -17.136 1.00 0.00 H new ATOM 0 HB3 ASP A 74 16.232 4.680 -15.409 1.00 0.00 H new ATOM 1120 N ASN A 75 15.227 0.930 -15.168 1.00 0.00 N ATOM 1121 CA ASN A 75 14.861 0.084 -14.015 1.00 0.00 C ATOM 1122 C ASN A 75 15.919 0.155 -12.888 1.00 0.00 C ATOM 1123 O ASN A 75 15.603 -0.146 -11.729 1.00 0.00 O ATOM 1124 CB ASN A 75 14.661 -1.378 -14.497 1.00 0.00 C ATOM 1125 CG ASN A 75 14.210 -2.346 -13.391 1.00 0.00 C ATOM 1126 OD1 ASN A 75 13.021 -2.545 -13.169 1.00 0.00 O ATOM 1127 ND2 ASN A 75 15.156 -2.954 -12.693 1.00 0.00 N ATOM 0 H ASN A 75 15.566 0.399 -15.970 1.00 0.00 H new ATOM 0 HA ASN A 75 13.929 0.459 -13.593 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.921 -1.388 -15.298 1.00 0.00 H new ATOM 0 HB3 ASN A 75 15.597 -1.740 -14.923 1.00 0.00 H new ATOM 0 HD21 ASN A 75 14.903 -3.606 -11.950 1.00 0.00 H new ATOM 0 HD22 ASN A 75 16.138 -2.771 -12.898 1.00 0.00 H new ATOM 1134 N ALA A 76 17.161 0.583 -13.226 1.00 0.00 N ATOM 1135 CA ALA A 76 18.286 0.614 -12.260 1.00 0.00 C ATOM 1136 C ALA A 76 17.979 1.525 -11.056 1.00 0.00 C ATOM 1137 O ALA A 76 18.357 1.202 -9.927 1.00 0.00 O ATOM 1138 CB ALA A 76 19.599 1.024 -12.939 1.00 0.00 C ATOM 0 H ALA A 76 17.408 0.911 -14.160 1.00 0.00 H new ATOM 0 HA ALA A 76 18.409 -0.401 -11.881 1.00 0.00 H new ATOM 0 HB1 ALA A 76 20.402 1.036 -12.202 1.00 0.00 H new ATOM 0 HB2 ALA A 76 19.840 0.310 -13.726 1.00 0.00 H new ATOM 0 HB3 ALA A 76 19.489 2.018 -13.372 1.00 0.00 H new ATOM 1144 N LYS A 77 17.281 2.657 -11.294 1.00 0.00 N ATOM 1145 CA LYS A 77 16.764 3.511 -10.190 1.00 0.00 C ATOM 1146 C LYS A 77 15.232 3.611 -10.232 1.00 0.00 C ATOM 1147 O LYS A 77 14.632 4.175 -9.308 1.00 0.00 O ATOM 1148 CB LYS A 77 17.418 4.931 -10.180 1.00 0.00 C ATOM 1149 CG LYS A 77 17.143 5.841 -11.401 1.00 0.00 C ATOM 1150 CD LYS A 77 17.912 5.423 -12.668 1.00 0.00 C ATOM 1151 CE LYS A 77 17.750 6.430 -13.815 1.00 0.00 C ATOM 1152 NZ LYS A 77 18.325 7.753 -13.488 1.00 0.00 N ATOM 0 H LYS A 77 17.062 3.002 -12.228 1.00 0.00 H new ATOM 0 HA LYS A 77 17.047 3.022 -9.258 1.00 0.00 H new ATOM 0 HB2 LYS A 77 17.079 5.453 -9.285 1.00 0.00 H new ATOM 0 HB3 LYS A 77 18.497 4.806 -10.087 1.00 0.00 H new ATOM 0 HG2 LYS A 77 16.074 5.833 -11.616 1.00 0.00 H new ATOM 0 HG3 LYS A 77 17.410 6.867 -11.146 1.00 0.00 H new ATOM 0 HD2 LYS A 77 18.970 5.318 -12.428 1.00 0.00 H new ATOM 0 HD3 LYS A 77 17.561 4.445 -12.996 1.00 0.00 H new ATOM 0 HE2 LYS A 77 18.233 6.038 -14.710 1.00 0.00 H new ATOM 0 HE3 LYS A 77 16.691 6.544 -14.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 17.660 8.500 -13.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 18.496 7.814 -12.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 19.223 7.877 -13.997 1.00 0.00 H new ATOM 1166 N ASN A 78 14.616 3.034 -11.294 1.00 0.00 N ATOM 1167 CA ASN A 78 13.166 3.135 -11.564 1.00 0.00 C ATOM 1168 C ASN A 78 12.756 4.603 -11.764 1.00 0.00 C ATOM 1169 O ASN A 78 12.170 5.230 -10.886 1.00 0.00 O ATOM 1170 CB ASN A 78 12.304 2.407 -10.487 1.00 0.00 C ATOM 1171 CG ASN A 78 12.192 0.898 -10.714 1.00 0.00 C ATOM 1172 OD1 ASN A 78 11.200 0.416 -11.260 1.00 0.00 O ATOM 1173 ND2 ASN A 78 13.217 0.149 -10.333 1.00 0.00 N ATOM 0 H ASN A 78 15.118 2.483 -11.990 1.00 0.00 H new ATOM 0 HA ASN A 78 12.963 2.608 -12.496 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.737 2.587 -9.503 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.304 2.841 -10.479 1.00 0.00 H new ATOM 0 HD21 ASN A 78 13.198 -0.859 -10.490 1.00 0.00 H new ATOM 0 HD22 ASN A 78 14.024 0.580 -9.883 1.00 0.00 H new ATOM 1180 N THR A 79 13.185 5.176 -12.892 1.00 0.00 N ATOM 1181 CA THR A 79 12.808 6.539 -13.293 1.00 0.00 C ATOM 1182 C THR A 79 12.503 6.561 -14.801 1.00 0.00 C ATOM 1183 O THR A 79 13.283 6.041 -15.605 1.00 0.00 O ATOM 1184 CB THR A 79 13.944 7.559 -12.940 1.00 0.00 C ATOM 1185 OG1 THR A 79 14.272 7.455 -11.550 1.00 0.00 O ATOM 1186 CG2 THR A 79 13.542 9.019 -13.249 1.00 0.00 C ATOM 0 H THR A 79 13.804 4.710 -13.555 1.00 0.00 H new ATOM 0 HA THR A 79 11.915 6.838 -12.744 1.00 0.00 H new ATOM 0 HB THR A 79 14.804 7.307 -13.561 1.00 0.00 H new ATOM 0 HG1 THR A 79 14.984 8.093 -11.333 1.00 0.00 H new ATOM 0 HG21 THR A 79 14.363 9.686 -12.987 1.00 0.00 H new ATOM 0 HG22 THR A 79 13.319 9.118 -14.311 1.00 0.00 H new ATOM 0 HG23 THR A 79 12.659 9.284 -12.667 1.00 0.00 H new ATOM 1194 N VAL A 80 11.361 7.164 -15.169 1.00 0.00 N ATOM 1195 CA VAL A 80 10.884 7.234 -16.562 1.00 0.00 C ATOM 1196 C VAL A 80 11.098 8.650 -17.108 1.00 0.00 C ATOM 1197 O VAL A 80 10.823 9.628 -16.424 1.00 0.00 O ATOM 1198 CB VAL A 80 9.361 6.854 -16.665 1.00 0.00 C ATOM 1199 CG1 VAL A 80 8.899 6.740 -18.141 1.00 0.00 C ATOM 1200 CG2 VAL A 80 9.065 5.555 -15.888 1.00 0.00 C ATOM 0 H VAL A 80 10.737 7.621 -14.504 1.00 0.00 H new ATOM 0 HA VAL A 80 11.454 6.517 -17.153 1.00 0.00 H new ATOM 0 HB VAL A 80 8.789 7.661 -16.207 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.842 6.476 -18.172 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.050 7.695 -18.644 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.480 5.968 -18.646 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.006 5.313 -15.974 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.658 4.740 -16.302 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.321 5.693 -14.838 1.00 0.00 H new ATOM 1210 N TYR A 81 11.602 8.743 -18.338 1.00 0.00 N ATOM 1211 CA TYR A 81 11.882 10.014 -19.011 1.00 0.00 C ATOM 1212 C TYR A 81 11.075 10.092 -20.317 1.00 0.00 C ATOM 1213 O TYR A 81 11.279 9.271 -21.220 1.00 0.00 O ATOM 1214 CB TYR A 81 13.405 10.136 -19.304 1.00 0.00 C ATOM 1215 CG TYR A 81 14.305 10.030 -18.056 1.00 0.00 C ATOM 1216 CD1 TYR A 81 14.700 11.171 -17.347 1.00 0.00 C ATOM 1217 CD2 TYR A 81 14.756 8.787 -17.590 1.00 0.00 C ATOM 1218 CE1 TYR A 81 15.508 11.076 -16.230 1.00 0.00 C ATOM 1219 CE2 TYR A 81 15.561 8.689 -16.473 1.00 0.00 C ATOM 1220 CZ TYR A 81 15.937 9.836 -15.796 1.00 0.00 C ATOM 1221 OH TYR A 81 16.740 9.740 -14.678 1.00 0.00 O ATOM 0 H TYR A 81 11.831 7.926 -18.905 1.00 0.00 H new ATOM 0 HA TYR A 81 11.588 10.840 -18.364 1.00 0.00 H new ATOM 0 HB2 TYR A 81 13.690 9.356 -20.010 1.00 0.00 H new ATOM 0 HB3 TYR A 81 13.593 11.092 -19.792 1.00 0.00 H new ATOM 0 HD1 TYR A 81 14.367 12.143 -17.679 1.00 0.00 H new ATOM 0 HD2 TYR A 81 14.468 7.888 -18.115 1.00 0.00 H new ATOM 0 HE1 TYR A 81 15.803 11.968 -15.698 1.00 0.00 H new ATOM 0 HE2 TYR A 81 15.896 7.722 -16.129 1.00 0.00 H new ATOM 0 HH TYR A 81 16.536 10.477 -14.065 1.00 0.00 H new ATOM 1231 N LEU A 82 10.127 11.048 -20.393 1.00 0.00 N ATOM 1232 CA LEU A 82 9.406 11.367 -21.638 1.00 0.00 C ATOM 1233 C LEU A 82 10.159 12.499 -22.356 1.00 0.00 C ATOM 1234 O LEU A 82 10.021 13.677 -22.007 1.00 0.00 O ATOM 1235 CB LEU A 82 7.925 11.751 -21.323 1.00 0.00 C ATOM 1236 CG LEU A 82 7.059 12.348 -22.492 1.00 0.00 C ATOM 1237 CD1 LEU A 82 7.008 11.435 -23.735 1.00 0.00 C ATOM 1238 CD2 LEU A 82 5.635 12.684 -21.997 1.00 0.00 C ATOM 0 H LEU A 82 9.842 11.617 -19.596 1.00 0.00 H new ATOM 0 HA LEU A 82 9.371 10.498 -22.296 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.419 10.859 -20.953 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.933 12.475 -20.508 1.00 0.00 H new ATOM 0 HG LEU A 82 7.552 13.268 -22.807 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.395 11.903 -24.505 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.018 11.283 -24.117 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.575 10.473 -23.462 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.051 13.096 -22.820 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.154 11.777 -21.629 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.693 13.416 -21.192 1.00 0.00 H new ATOM 1250 N GLN A 83 10.988 12.115 -23.334 1.00 0.00 N ATOM 1251 CA GLN A 83 11.748 13.056 -24.155 1.00 0.00 C ATOM 1252 C GLN A 83 10.877 13.533 -25.324 1.00 0.00 C ATOM 1253 O GLN A 83 10.677 12.812 -26.308 1.00 0.00 O ATOM 1254 CB GLN A 83 13.060 12.399 -24.670 1.00 0.00 C ATOM 1255 CG GLN A 83 13.976 13.326 -25.502 1.00 0.00 C ATOM 1256 CD GLN A 83 14.403 14.595 -24.755 1.00 0.00 C ATOM 1257 OE1 GLN A 83 15.411 14.603 -24.046 1.00 0.00 O ATOM 1258 NE2 GLN A 83 13.653 15.681 -24.933 1.00 0.00 N ATOM 0 H GLN A 83 11.149 11.137 -23.577 1.00 0.00 H new ATOM 0 HA GLN A 83 12.026 13.918 -23.548 1.00 0.00 H new ATOM 0 HB2 GLN A 83 13.624 12.031 -23.813 1.00 0.00 H new ATOM 0 HB3 GLN A 83 12.800 11.532 -25.277 1.00 0.00 H new ATOM 0 HG2 GLN A 83 14.866 12.772 -25.799 1.00 0.00 H new ATOM 0 HG3 GLN A 83 13.457 13.610 -26.417 1.00 0.00 H new ATOM 0 HE21 GLN A 83 12.825 15.637 -25.527 1.00 0.00 H new ATOM 0 HE22 GLN A 83 13.906 16.557 -24.475 1.00 0.00 H new ATOM 1267 N MET A 84 10.329 14.738 -25.172 1.00 0.00 N ATOM 1268 CA MET A 84 9.584 15.420 -26.230 1.00 0.00 C ATOM 1269 C MET A 84 10.579 16.146 -27.133 1.00 0.00 C ATOM 1270 O MET A 84 11.424 16.896 -26.644 1.00 0.00 O ATOM 1271 CB MET A 84 8.603 16.447 -25.620 1.00 0.00 C ATOM 1272 CG MET A 84 7.578 15.873 -24.645 1.00 0.00 C ATOM 1273 SD MET A 84 6.575 17.179 -23.907 1.00 0.00 S ATOM 1274 CE MET A 84 5.407 16.233 -22.953 1.00 0.00 C ATOM 0 H MET A 84 10.390 15.272 -24.305 1.00 0.00 H new ATOM 0 HA MET A 84 9.013 14.689 -26.802 1.00 0.00 H new ATOM 0 HB2 MET A 84 9.181 17.214 -25.104 1.00 0.00 H new ATOM 0 HB3 MET A 84 8.070 16.942 -26.432 1.00 0.00 H new ATOM 0 HG2 MET A 84 6.933 15.166 -25.166 1.00 0.00 H new ATOM 0 HG3 MET A 84 8.091 15.317 -23.860 1.00 0.00 H new ATOM 0 HE1 MET A 84 4.723 16.910 -22.441 1.00 0.00 H new ATOM 0 HE2 MET A 84 4.842 15.578 -23.616 1.00 0.00 H new ATOM 0 HE3 MET A 84 5.941 15.632 -22.217 1.00 0.00 H new ATOM 1284 N ASN A 85 10.498 15.885 -28.436 1.00 0.00 N ATOM 1285 CA ASN A 85 11.286 16.582 -29.469 1.00 0.00 C ATOM 1286 C ASN A 85 10.304 17.048 -30.542 1.00 0.00 C ATOM 1287 O ASN A 85 9.401 16.292 -30.898 1.00 0.00 O ATOM 1288 CB ASN A 85 12.363 15.632 -30.062 1.00 0.00 C ATOM 1289 CG ASN A 85 13.402 15.170 -29.028 1.00 0.00 C ATOM 1290 OD1 ASN A 85 13.837 15.941 -28.168 1.00 0.00 O ATOM 1291 ND2 ASN A 85 13.781 13.903 -29.084 1.00 0.00 N ATOM 0 H ASN A 85 9.875 15.173 -28.817 1.00 0.00 H new ATOM 0 HA ASN A 85 11.817 17.436 -29.049 1.00 0.00 H new ATOM 0 HB2 ASN A 85 11.871 14.758 -30.488 1.00 0.00 H new ATOM 0 HB3 ASN A 85 12.875 16.140 -30.879 1.00 0.00 H new ATOM 0 HD21 ASN A 85 14.450 13.540 -28.405 1.00 0.00 H new ATOM 0 HD22 ASN A 85 13.404 13.289 -29.806 1.00 0.00 H new ATOM 1298 N SER A 86 10.470 18.290 -31.036 1.00 0.00 N ATOM 1299 CA SER A 86 9.527 18.923 -31.983 1.00 0.00 C ATOM 1300 C SER A 86 8.113 18.999 -31.362 1.00 0.00 C ATOM 1301 O SER A 86 7.225 18.201 -31.676 1.00 0.00 O ATOM 1302 CB SER A 86 9.523 18.207 -33.365 1.00 0.00 C ATOM 1303 OG SER A 86 8.698 18.879 -34.307 1.00 0.00 O ATOM 0 H SER A 86 11.262 18.884 -30.791 1.00 0.00 H new ATOM 0 HA SER A 86 9.866 19.942 -32.170 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.542 18.152 -33.749 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.173 17.182 -33.242 1.00 0.00 H new ATOM 0 HG SER A 86 8.722 18.401 -35.162 1.00 0.00 H new ATOM 1309 N LEU A 87 7.965 19.909 -30.400 1.00 0.00 N ATOM 1310 CA LEU A 87 6.701 20.148 -29.678 1.00 0.00 C ATOM 1311 C LEU A 87 5.684 20.925 -30.526 1.00 0.00 C ATOM 1312 O LEU A 87 6.023 21.529 -31.545 1.00 0.00 O ATOM 1313 CB LEU A 87 7.007 20.867 -28.340 1.00 0.00 C ATOM 1314 CG LEU A 87 7.469 19.915 -27.193 1.00 0.00 C ATOM 1315 CD1 LEU A 87 8.100 20.684 -26.030 1.00 0.00 C ATOM 1316 CD2 LEU A 87 6.282 19.057 -26.708 1.00 0.00 C ATOM 0 H LEU A 87 8.726 20.513 -30.091 1.00 0.00 H new ATOM 0 HA LEU A 87 6.234 19.186 -29.466 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.782 21.614 -28.511 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.114 21.402 -28.016 1.00 0.00 H new ATOM 0 HG LEU A 87 8.241 19.258 -27.594 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.407 19.983 -25.254 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.971 21.234 -26.387 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.372 21.384 -25.619 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.614 18.396 -25.908 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.491 19.708 -26.336 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.902 18.460 -27.537 1.00 0.00 H new ATOM 1328 N LYS A 88 4.425 20.859 -30.094 1.00 0.00 N ATOM 1329 CA LYS A 88 3.283 21.537 -30.738 1.00 0.00 C ATOM 1330 C LYS A 88 2.561 22.389 -29.678 1.00 0.00 C ATOM 1331 O LYS A 88 2.542 21.998 -28.506 1.00 0.00 O ATOM 1332 CB LYS A 88 2.335 20.474 -31.376 1.00 0.00 C ATOM 1333 CG LYS A 88 2.093 19.233 -30.494 1.00 0.00 C ATOM 1334 CD LYS A 88 1.131 18.201 -31.105 1.00 0.00 C ATOM 1335 CE LYS A 88 1.089 16.877 -30.304 1.00 0.00 C ATOM 1336 NZ LYS A 88 0.746 17.076 -28.873 1.00 0.00 N ATOM 0 H LYS A 88 4.157 20.323 -29.269 1.00 0.00 H new ATOM 0 HA LYS A 88 3.622 22.194 -31.539 1.00 0.00 H new ATOM 0 HB2 LYS A 88 1.376 20.943 -31.594 1.00 0.00 H new ATOM 0 HB3 LYS A 88 2.757 20.152 -32.328 1.00 0.00 H new ATOM 0 HG2 LYS A 88 3.050 18.749 -30.298 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.696 19.557 -29.532 1.00 0.00 H new ATOM 0 HD2 LYS A 88 0.128 18.626 -31.149 1.00 0.00 H new ATOM 0 HD3 LYS A 88 1.434 17.991 -32.131 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.358 16.207 -30.757 1.00 0.00 H new ATOM 0 HE3 LYS A 88 2.059 16.385 -30.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.053 16.358 -28.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 1.605 16.985 -28.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.339 18.024 -28.742 1.00 0.00 H new ATOM 1350 N PRO A 89 1.927 23.551 -30.067 1.00 0.00 N ATOM 1351 CA PRO A 89 1.313 24.506 -29.096 1.00 0.00 C ATOM 1352 C PRO A 89 0.122 23.889 -28.321 1.00 0.00 C ATOM 1353 O PRO A 89 -0.342 24.440 -27.315 1.00 0.00 O ATOM 1354 CB PRO A 89 0.851 25.686 -29.996 1.00 0.00 C ATOM 1355 CG PRO A 89 0.644 25.061 -31.341 1.00 0.00 C ATOM 1356 CD PRO A 89 1.738 24.024 -31.469 1.00 0.00 C ATOM 0 HA PRO A 89 2.014 24.804 -28.316 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.067 26.138 -29.621 1.00 0.00 H new ATOM 0 HB3 PRO A 89 1.602 26.475 -30.035 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -0.343 24.604 -31.415 1.00 0.00 H new ATOM 0 HG3 PRO A 89 0.711 25.804 -32.135 1.00 0.00 H new ATOM 0 HD2 PRO A 89 1.445 23.210 -32.132 1.00 0.00 H new ATOM 0 HD3 PRO A 89 2.654 24.453 -31.876 1.00 0.00 H new ATOM 1364 N GLU A 90 -0.353 22.737 -28.824 1.00 0.00 N ATOM 1365 CA GLU A 90 -1.434 21.947 -28.221 1.00 0.00 C ATOM 1366 C GLU A 90 -1.040 21.395 -26.845 1.00 0.00 C ATOM 1367 O GLU A 90 -1.905 21.205 -25.980 1.00 0.00 O ATOM 1368 CB GLU A 90 -1.801 20.794 -29.172 1.00 0.00 C ATOM 1369 CG GLU A 90 -2.269 21.270 -30.554 1.00 0.00 C ATOM 1370 CD GLU A 90 -2.511 20.114 -31.530 1.00 0.00 C ATOM 1371 OE1 GLU A 90 -3.514 19.387 -31.363 1.00 0.00 O ATOM 1372 OE2 GLU A 90 -1.694 19.919 -32.447 1.00 0.00 O ATOM 0 H GLU A 90 0.014 22.322 -29.680 1.00 0.00 H new ATOM 0 HA GLU A 90 -2.295 22.599 -28.071 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.935 20.144 -29.294 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.589 20.194 -28.717 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.189 21.844 -30.443 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -1.521 21.943 -30.974 1.00 0.00 H new ATOM 1379 N ASP A 91 0.274 21.163 -26.646 1.00 0.00 N ATOM 1380 CA ASP A 91 0.829 20.638 -25.370 1.00 0.00 C ATOM 1381 C ASP A 91 0.864 21.710 -24.259 1.00 0.00 C ATOM 1382 O ASP A 91 1.549 21.542 -23.248 1.00 0.00 O ATOM 1383 CB ASP A 91 2.239 20.031 -25.589 1.00 0.00 C ATOM 1384 CG ASP A 91 2.227 18.815 -26.516 1.00 0.00 C ATOM 1385 OD1 ASP A 91 1.475 17.852 -26.244 1.00 0.00 O ATOM 1386 OD2 ASP A 91 2.957 18.814 -27.524 1.00 0.00 O ATOM 0 H ASP A 91 0.983 21.332 -27.360 1.00 0.00 H new ATOM 0 HA ASP A 91 0.157 19.849 -25.033 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.896 20.794 -26.007 1.00 0.00 H new ATOM 0 HB3 ASP A 91 2.658 19.742 -24.625 1.00 0.00 H new ATOM 1391 N THR A 92 0.138 22.826 -24.457 1.00 0.00 N ATOM 1392 CA THR A 92 -0.282 23.686 -23.353 1.00 0.00 C ATOM 1393 C THR A 92 -1.416 22.942 -22.598 1.00 0.00 C ATOM 1394 O THR A 92 -2.606 23.058 -22.938 1.00 0.00 O ATOM 1395 CB THR A 92 -0.737 25.083 -23.888 1.00 0.00 C ATOM 1396 OG1 THR A 92 0.366 25.692 -24.583 1.00 0.00 O ATOM 1397 CG2 THR A 92 -1.213 26.028 -22.770 1.00 0.00 C ATOM 0 H THR A 92 -0.167 23.147 -25.376 1.00 0.00 H new ATOM 0 HA THR A 92 0.542 23.882 -22.667 1.00 0.00 H new ATOM 0 HB THR A 92 -1.586 24.920 -24.552 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.358 25.409 -25.521 1.00 0.00 H new ATOM 0 HG21 THR A 92 -1.516 26.981 -23.204 1.00 0.00 H new ATOM 0 HG22 THR A 92 -2.060 25.580 -22.251 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.400 26.193 -22.062 1.00 0.00 H new ATOM 1405 N ALA A 93 -0.994 22.134 -21.604 1.00 0.00 N ATOM 1406 CA ALA A 93 -1.851 21.172 -20.880 1.00 0.00 C ATOM 1407 C ALA A 93 -1.053 20.547 -19.724 1.00 0.00 C ATOM 1408 O ALA A 93 0.157 20.772 -19.604 1.00 0.00 O ATOM 1409 CB ALA A 93 -2.354 20.067 -21.841 1.00 0.00 C ATOM 0 H ALA A 93 -0.028 22.132 -21.275 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.718 21.697 -20.478 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.984 19.367 -21.292 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.932 20.521 -22.646 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.501 19.535 -22.262 1.00 0.00 H new ATOM 1415 N VAL A 94 -1.716 19.751 -18.876 1.00 0.00 N ATOM 1416 CA VAL A 94 -1.053 19.071 -17.752 1.00 0.00 C ATOM 1417 C VAL A 94 -0.842 17.582 -18.105 1.00 0.00 C ATOM 1418 O VAL A 94 -1.799 16.839 -18.322 1.00 0.00 O ATOM 1419 CB VAL A 94 -1.851 19.269 -16.396 1.00 0.00 C ATOM 1420 CG1 VAL A 94 -3.344 18.857 -16.509 1.00 0.00 C ATOM 1421 CG2 VAL A 94 -1.153 18.540 -15.218 1.00 0.00 C ATOM 0 H VAL A 94 -2.716 19.560 -18.946 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.075 19.522 -17.588 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.841 20.339 -16.187 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.838 19.015 -15.550 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.832 19.463 -17.273 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.411 17.804 -16.783 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.725 18.696 -14.303 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -1.096 17.473 -15.433 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -0.147 18.938 -15.089 1.00 0.00 H new ATOM 1431 N TYR A 95 0.433 17.172 -18.200 1.00 0.00 N ATOM 1432 CA TYR A 95 0.821 15.773 -18.464 1.00 0.00 C ATOM 1433 C TYR A 95 0.820 14.996 -17.153 1.00 0.00 C ATOM 1434 O TYR A 95 1.352 15.468 -16.155 1.00 0.00 O ATOM 1435 CB TYR A 95 2.225 15.689 -19.149 1.00 0.00 C ATOM 1436 CG TYR A 95 2.161 15.603 -20.681 1.00 0.00 C ATOM 1437 CD1 TYR A 95 2.316 14.378 -21.341 1.00 0.00 C ATOM 1438 CD2 TYR A 95 1.928 16.734 -21.463 1.00 0.00 C ATOM 1439 CE1 TYR A 95 2.246 14.289 -22.714 1.00 0.00 C ATOM 1440 CE2 TYR A 95 1.859 16.648 -22.842 1.00 0.00 C ATOM 1441 CZ TYR A 95 2.020 15.421 -23.462 1.00 0.00 C ATOM 1442 OH TYR A 95 1.938 15.323 -24.833 1.00 0.00 O ATOM 0 H TYR A 95 1.228 17.802 -18.096 1.00 0.00 H new ATOM 0 HA TYR A 95 0.097 15.334 -19.151 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.810 16.565 -18.867 1.00 0.00 H new ATOM 0 HB3 TYR A 95 2.754 14.816 -18.767 1.00 0.00 H new ATOM 0 HD1 TYR A 95 2.494 13.484 -20.762 1.00 0.00 H new ATOM 0 HD2 TYR A 95 1.799 17.693 -20.984 1.00 0.00 H new ATOM 0 HE1 TYR A 95 2.368 13.333 -23.202 1.00 0.00 H new ATOM 0 HE2 TYR A 95 1.680 17.535 -23.432 1.00 0.00 H new ATOM 0 HH TYR A 95 1.774 16.210 -25.215 1.00 0.00 H new ATOM 1452 N LEU A 96 0.208 13.807 -17.176 1.00 0.00 N ATOM 1453 CA LEU A 96 0.091 12.936 -16.004 1.00 0.00 C ATOM 1454 C LEU A 96 0.309 11.468 -16.418 1.00 0.00 C ATOM 1455 O LEU A 96 -0.394 10.931 -17.284 1.00 0.00 O ATOM 1456 CB LEU A 96 -1.267 13.147 -15.247 1.00 0.00 C ATOM 1457 CG LEU A 96 -2.620 12.812 -15.983 1.00 0.00 C ATOM 1458 CD1 LEU A 96 -3.816 12.914 -15.009 1.00 0.00 C ATOM 1459 CD2 LEU A 96 -2.862 13.716 -17.213 1.00 0.00 C ATOM 0 H LEU A 96 -0.223 13.420 -18.016 1.00 0.00 H new ATOM 0 HA LEU A 96 0.872 13.207 -15.293 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.232 12.548 -14.337 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.312 14.192 -14.939 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.535 11.786 -16.341 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.739 12.679 -15.540 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.679 12.209 -14.189 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.875 13.927 -14.610 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.807 13.444 -17.684 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.901 14.758 -16.896 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.049 13.584 -17.927 1.00 0.00 H new ATOM 1471 N CYS A 97 1.323 10.843 -15.807 1.00 0.00 N ATOM 1472 CA CYS A 97 1.669 9.446 -16.025 1.00 0.00 C ATOM 1473 C CYS A 97 0.877 8.600 -15.024 1.00 0.00 C ATOM 1474 O CYS A 97 1.045 8.736 -13.811 1.00 0.00 O ATOM 1475 CB CYS A 97 3.188 9.238 -15.843 1.00 0.00 C ATOM 1476 SG CYS A 97 3.760 7.569 -16.234 1.00 0.00 S ATOM 0 H CYS A 97 1.933 11.309 -15.136 1.00 0.00 H new ATOM 0 HA CYS A 97 1.416 9.145 -17.042 1.00 0.00 H new ATOM 0 HB2 CYS A 97 3.719 9.949 -16.476 1.00 0.00 H new ATOM 0 HB3 CYS A 97 3.454 9.469 -14.811 1.00 0.00 H new ATOM 0 HG CYS A 97 2.735 6.796 -16.439 1.00 0.00 H new ATOM 1482 N ALA A 98 -0.004 7.755 -15.551 1.00 0.00 N ATOM 1483 CA ALA A 98 -0.973 6.983 -14.768 1.00 0.00 C ATOM 1484 C ALA A 98 -0.707 5.480 -14.914 1.00 0.00 C ATOM 1485 O ALA A 98 -0.067 5.051 -15.874 1.00 0.00 O ATOM 1486 CB ALA A 98 -2.389 7.346 -15.243 1.00 0.00 C ATOM 0 H ALA A 98 -0.068 7.582 -16.554 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.875 7.228 -13.710 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -3.122 6.779 -14.669 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -2.560 8.413 -15.096 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -2.491 7.104 -16.301 1.00 0.00 H new ATOM 1492 N ALA A 99 -1.198 4.684 -13.947 1.00 0.00 N ATOM 1493 CA ALA A 99 -1.100 3.208 -13.983 1.00 0.00 C ATOM 1494 C ALA A 99 -2.506 2.583 -14.052 1.00 0.00 C ATOM 1495 O ALA A 99 -3.443 3.055 -13.388 1.00 0.00 O ATOM 1496 CB ALA A 99 -0.308 2.675 -12.775 1.00 0.00 C ATOM 0 H ALA A 99 -1.674 5.042 -13.119 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.554 2.919 -14.881 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -0.252 1.588 -12.828 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.699 3.091 -12.788 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.810 2.968 -11.853 1.00 0.00 H new ATOM 1502 N GLY A 100 -2.634 1.524 -14.872 1.00 0.00 N ATOM 1503 CA GLY A 100 -3.901 0.831 -15.083 1.00 0.00 C ATOM 1504 C GLY A 100 -3.854 -0.102 -16.285 1.00 0.00 C ATOM 1505 O GLY A 100 -2.788 -0.613 -16.632 1.00 0.00 O ATOM 0 H GLY A 100 -1.857 1.131 -15.403 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.153 0.258 -14.190 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.695 1.564 -15.225 1.00 0.00 H new ATOM 1652 N PRO A 110 -8.027 5.973 -14.912 1.00 0.00 N ATOM 1653 CA PRO A 110 -7.041 4.990 -14.368 1.00 0.00 C ATOM 1654 C PRO A 110 -7.127 4.794 -12.840 1.00 0.00 C ATOM 1655 O PRO A 110 -7.742 5.596 -12.137 1.00 0.00 O ATOM 1656 CB PRO A 110 -5.666 5.596 -14.772 1.00 0.00 C ATOM 1657 CG PRO A 110 -5.970 6.485 -15.939 1.00 0.00 C ATOM 1658 CD PRO A 110 -7.336 7.057 -15.668 1.00 0.00 C ATOM 0 HA PRO A 110 -7.224 3.992 -14.766 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.225 6.159 -13.950 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.954 4.816 -15.043 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.226 7.276 -16.034 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -5.959 5.923 -16.873 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -7.277 7.977 -15.086 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -7.860 7.298 -16.593 1.00 0.00 H new ATOM 1666 N ASP A 111 -6.491 3.723 -12.344 1.00 0.00 N ATOM 1667 CA ASP A 111 -6.494 3.390 -10.906 1.00 0.00 C ATOM 1668 C ASP A 111 -5.531 4.319 -10.147 1.00 0.00 C ATOM 1669 O ASP A 111 -5.882 4.898 -9.110 1.00 0.00 O ATOM 1670 CB ASP A 111 -6.112 1.904 -10.690 1.00 0.00 C ATOM 1671 CG ASP A 111 -6.221 1.475 -9.214 1.00 0.00 C ATOM 1672 OD1 ASP A 111 -5.196 1.429 -8.510 1.00 0.00 O ATOM 1673 OD2 ASP A 111 -7.348 1.210 -8.744 1.00 0.00 O ATOM 0 H ASP A 111 -5.964 3.066 -12.919 1.00 0.00 H new ATOM 0 HA ASP A 111 -7.500 3.539 -10.513 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -6.761 1.273 -11.297 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -5.092 1.740 -11.038 1.00 0.00 H new ATOM 1678 N TYR A 112 -4.316 4.456 -10.690 1.00 0.00 N ATOM 1679 CA TYR A 112 -3.279 5.343 -10.146 1.00 0.00 C ATOM 1680 C TYR A 112 -3.026 6.507 -11.099 1.00 0.00 C ATOM 1681 O TYR A 112 -3.152 6.361 -12.312 1.00 0.00 O ATOM 1682 CB TYR A 112 -1.953 4.579 -9.913 1.00 0.00 C ATOM 1683 CG TYR A 112 -1.962 3.618 -8.717 1.00 0.00 C ATOM 1684 CD1 TYR A 112 -1.862 4.109 -7.411 1.00 0.00 C ATOM 1685 CD2 TYR A 112 -2.025 2.232 -8.888 1.00 0.00 C ATOM 1686 CE1 TYR A 112 -1.826 3.256 -6.327 1.00 0.00 C ATOM 1687 CE2 TYR A 112 -1.999 1.375 -7.802 1.00 0.00 C ATOM 1688 CZ TYR A 112 -1.897 1.892 -6.527 1.00 0.00 C ATOM 1689 OH TYR A 112 -1.844 1.043 -5.445 1.00 0.00 O ATOM 0 H TYR A 112 -4.022 3.951 -11.526 1.00 0.00 H new ATOM 0 HA TYR A 112 -3.638 5.722 -9.189 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -1.714 4.013 -10.813 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -1.153 5.305 -9.771 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -1.812 5.175 -7.248 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -2.095 1.823 -9.885 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -1.743 3.654 -5.326 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -2.058 0.307 -7.952 1.00 0.00 H new ATOM 0 HH TYR A 112 -1.907 0.115 -5.754 1.00 0.00 H new ATOM 1699 N TRP A 113 -2.689 7.659 -10.512 1.00 0.00 N ATOM 1700 CA TRP A 113 -2.145 8.831 -11.216 1.00 0.00 C ATOM 1701 C TRP A 113 -0.837 9.228 -10.530 1.00 0.00 C ATOM 1702 O TRP A 113 -0.704 9.054 -9.305 1.00 0.00 O ATOM 1703 CB TRP A 113 -3.152 10.006 -11.195 1.00 0.00 C ATOM 1704 CG TRP A 113 -4.407 9.729 -11.985 1.00 0.00 C ATOM 1705 CD1 TRP A 113 -4.557 9.832 -13.339 1.00 0.00 C ATOM 1706 CD2 TRP A 113 -5.680 9.298 -11.475 1.00 0.00 C ATOM 1707 NE1 TRP A 113 -5.836 9.515 -13.697 1.00 0.00 N ATOM 1708 CE2 TRP A 113 -6.542 9.178 -12.574 1.00 0.00 C ATOM 1709 CE3 TRP A 113 -6.170 9.007 -10.195 1.00 0.00 C ATOM 1710 CZ2 TRP A 113 -7.861 8.782 -12.443 1.00 0.00 C ATOM 1711 CZ3 TRP A 113 -7.488 8.610 -10.064 1.00 0.00 C ATOM 1712 CH2 TRP A 113 -8.323 8.500 -11.184 1.00 0.00 C ATOM 0 H TRP A 113 -2.788 7.809 -9.508 1.00 0.00 H new ATOM 0 HA TRP A 113 -1.961 8.584 -12.262 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -3.422 10.226 -10.162 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -2.668 10.897 -11.595 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -3.777 10.122 -14.027 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -6.205 9.527 -14.648 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -5.531 9.091 -9.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -8.506 8.698 -13.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -7.880 8.381 -9.084 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -9.348 8.188 -11.053 1.00 0.00 H new ATOM 1723 N GLY A 114 0.123 9.731 -11.317 1.00 0.00 N ATOM 1724 CA GLY A 114 1.435 10.067 -10.807 1.00 0.00 C ATOM 1725 C GLY A 114 1.445 11.282 -9.898 1.00 0.00 C ATOM 1726 O GLY A 114 1.391 11.147 -8.671 1.00 0.00 O ATOM 0 H GLY A 114 0.003 9.911 -12.314 1.00 0.00 H new ATOM 0 HA2 GLY A 114 1.832 9.212 -10.260 1.00 0.00 H new ATOM 0 HA3 GLY A 114 2.106 10.247 -11.647 1.00 0.00 H new ATOM 1730 N GLN A 115 1.514 12.461 -10.509 1.00 0.00 N ATOM 1731 CA GLN A 115 1.613 13.741 -9.804 1.00 0.00 C ATOM 1732 C GLN A 115 0.926 14.813 -10.654 1.00 0.00 C ATOM 1733 O GLN A 115 0.105 15.592 -10.155 1.00 0.00 O ATOM 1734 CB GLN A 115 3.119 14.050 -9.545 1.00 0.00 C ATOM 1735 CG GLN A 115 3.443 15.193 -8.553 1.00 0.00 C ATOM 1736 CD GLN A 115 3.390 16.601 -9.153 1.00 0.00 C ATOM 1737 OE1 GLN A 115 2.357 17.270 -9.145 1.00 0.00 O ATOM 1738 NE2 GLN A 115 4.516 17.055 -9.677 1.00 0.00 N ATOM 0 H GLN A 115 1.503 12.559 -11.524 1.00 0.00 H new ATOM 0 HA GLN A 115 1.113 13.714 -8.836 1.00 0.00 H new ATOM 0 HB2 GLN A 115 3.593 13.139 -9.179 1.00 0.00 H new ATOM 0 HB3 GLN A 115 3.585 14.289 -10.501 1.00 0.00 H new ATOM 0 HG2 GLN A 115 2.741 15.142 -7.720 1.00 0.00 H new ATOM 0 HG3 GLN A 115 4.438 15.026 -8.142 1.00 0.00 H new ATOM 0 HE21 GLN A 115 5.354 16.474 -9.667 1.00 0.00 H new ATOM 0 HE22 GLN A 115 4.546 17.987 -10.091 1.00 0.00 H new ATOM 1747 N GLY A 116 1.240 14.802 -11.959 1.00 0.00 N ATOM 1748 CA GLY A 116 0.669 15.742 -12.913 1.00 0.00 C ATOM 1749 C GLY A 116 1.533 16.981 -13.059 1.00 0.00 C ATOM 1750 O GLY A 116 1.410 17.921 -12.274 1.00 0.00 O ATOM 0 H GLY A 116 1.896 14.140 -12.373 1.00 0.00 H new ATOM 0 HA2 GLY A 116 0.560 15.257 -13.883 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -0.330 16.030 -12.587 1.00 0.00 H new ATOM 1754 N THR A 117 2.409 16.984 -14.067 1.00 0.00 N ATOM 1755 CA THR A 117 3.330 18.092 -14.336 1.00 0.00 C ATOM 1756 C THR A 117 2.758 19.014 -15.446 1.00 0.00 C ATOM 1757 O THR A 117 2.451 18.571 -16.563 1.00 0.00 O ATOM 1758 CB THR A 117 4.760 17.552 -14.703 1.00 0.00 C ATOM 1759 OG1 THR A 117 5.646 18.645 -14.997 1.00 0.00 O ATOM 1760 CG2 THR A 117 4.747 16.563 -15.882 1.00 0.00 C ATOM 0 H THR A 117 2.500 16.210 -14.726 1.00 0.00 H new ATOM 0 HA THR A 117 3.433 18.690 -13.431 1.00 0.00 H new ATOM 0 HB THR A 117 5.117 17.006 -13.830 1.00 0.00 H new ATOM 0 HG1 THR A 117 6.533 18.295 -15.222 1.00 0.00 H new ATOM 0 HG21 THR A 117 5.764 16.227 -16.086 1.00 0.00 H new ATOM 0 HG22 THR A 117 4.125 15.704 -15.630 1.00 0.00 H new ATOM 0 HG23 THR A 117 4.344 17.056 -16.766 1.00 0.00 H new ATOM 1768 N GLN A 118 2.582 20.305 -15.096 1.00 0.00 N ATOM 1769 CA GLN A 118 1.995 21.324 -15.985 1.00 0.00 C ATOM 1770 C GLN A 118 3.066 21.800 -16.981 1.00 0.00 C ATOM 1771 O GLN A 118 4.089 22.357 -16.571 1.00 0.00 O ATOM 1772 CB GLN A 118 1.455 22.528 -15.142 1.00 0.00 C ATOM 1773 CG GLN A 118 0.257 23.317 -15.744 1.00 0.00 C ATOM 1774 CD GLN A 118 0.501 23.952 -17.121 1.00 0.00 C ATOM 1775 OE1 GLN A 118 0.997 25.074 -17.225 1.00 0.00 O ATOM 1776 NE2 GLN A 118 0.141 23.244 -18.180 1.00 0.00 N ATOM 0 H GLN A 118 2.846 20.670 -14.181 1.00 0.00 H new ATOM 0 HA GLN A 118 1.159 20.892 -16.536 1.00 0.00 H new ATOM 0 HB2 GLN A 118 1.158 22.152 -14.163 1.00 0.00 H new ATOM 0 HB3 GLN A 118 2.276 23.226 -14.980 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -0.596 22.643 -15.822 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -0.023 24.106 -15.045 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -0.267 22.317 -18.059 1.00 0.00 H new ATOM 0 HE22 GLN A 118 0.272 23.625 -19.117 1.00 0.00 H new ATOM 1785 N VAL A 119 2.826 21.579 -18.278 1.00 0.00 N ATOM 1786 CA VAL A 119 3.716 22.041 -19.359 1.00 0.00 C ATOM 1787 C VAL A 119 2.946 23.020 -20.267 1.00 0.00 C ATOM 1788 O VAL A 119 1.747 22.855 -20.503 1.00 0.00 O ATOM 1789 CB VAL A 119 4.302 20.829 -20.190 1.00 0.00 C ATOM 1790 CG1 VAL A 119 5.180 19.918 -19.293 1.00 0.00 C ATOM 1791 CG2 VAL A 119 3.186 20.005 -20.879 1.00 0.00 C ATOM 0 H VAL A 119 2.006 21.073 -18.613 1.00 0.00 H new ATOM 0 HA VAL A 119 4.568 22.557 -18.916 1.00 0.00 H new ATOM 0 HB VAL A 119 4.928 21.251 -20.976 1.00 0.00 H new ATOM 0 HG11 VAL A 119 5.572 19.092 -19.886 1.00 0.00 H new ATOM 0 HG12 VAL A 119 6.009 20.498 -18.886 1.00 0.00 H new ATOM 0 HG13 VAL A 119 4.577 19.523 -18.475 1.00 0.00 H new ATOM 0 HG21 VAL A 119 3.633 19.183 -21.438 1.00 0.00 H new ATOM 0 HG22 VAL A 119 2.510 19.604 -20.123 1.00 0.00 H new ATOM 0 HG23 VAL A 119 2.628 20.647 -21.561 1.00 0.00 H new ATOM 1801 N THR A 120 3.626 24.067 -20.734 1.00 0.00 N ATOM 1802 CA THR A 120 3.026 25.091 -21.602 1.00 0.00 C ATOM 1803 C THR A 120 3.912 25.289 -22.829 1.00 0.00 C ATOM 1804 O THR A 120 4.976 25.886 -22.738 1.00 0.00 O ATOM 1805 CB THR A 120 2.868 26.449 -20.830 1.00 0.00 C ATOM 1806 OG1 THR A 120 2.151 26.232 -19.611 1.00 0.00 O ATOM 1807 CG2 THR A 120 2.136 27.524 -21.663 1.00 0.00 C ATOM 0 H THR A 120 4.610 24.233 -20.523 1.00 0.00 H new ATOM 0 HA THR A 120 2.035 24.758 -21.912 1.00 0.00 H new ATOM 0 HB THR A 120 3.873 26.817 -20.624 1.00 0.00 H new ATOM 0 HG1 THR A 120 2.056 27.081 -19.132 1.00 0.00 H new ATOM 0 HG21 THR A 120 2.054 28.442 -21.081 1.00 0.00 H new ATOM 0 HG22 THR A 120 2.698 27.722 -22.576 1.00 0.00 H new ATOM 0 HG23 THR A 120 1.139 27.168 -21.921 1.00 0.00 H new ATOM 1815 N VAL A 121 3.500 24.761 -23.974 1.00 0.00 N ATOM 1816 CA VAL A 121 4.235 24.977 -25.219 1.00 0.00 C ATOM 1817 C VAL A 121 3.621 26.173 -25.949 1.00 0.00 C ATOM 1818 O VAL A 121 2.565 26.057 -26.574 1.00 0.00 O ATOM 1819 CB VAL A 121 4.258 23.693 -26.110 1.00 0.00 C ATOM 1820 CG1 VAL A 121 5.085 23.918 -27.397 1.00 0.00 C ATOM 1821 CG2 VAL A 121 4.806 22.491 -25.303 1.00 0.00 C ATOM 0 H VAL A 121 2.665 24.182 -24.069 1.00 0.00 H new ATOM 0 HA VAL A 121 5.278 25.197 -24.990 1.00 0.00 H new ATOM 0 HB VAL A 121 3.235 23.470 -26.413 1.00 0.00 H new ATOM 0 HG11 VAL A 121 5.082 23.007 -27.995 1.00 0.00 H new ATOM 0 HG12 VAL A 121 4.646 24.732 -27.974 1.00 0.00 H new ATOM 0 HG13 VAL A 121 6.111 24.173 -27.130 1.00 0.00 H new ATOM 0 HG21 VAL A 121 4.817 21.603 -25.935 1.00 0.00 H new ATOM 0 HG22 VAL A 121 5.820 22.710 -24.967 1.00 0.00 H new ATOM 0 HG23 VAL A 121 4.168 22.313 -24.438 1.00 0.00 H new ATOM 1831 N SER A 122 4.258 27.346 -25.778 1.00 0.00 N ATOM 1832 CA SER A 122 3.884 28.571 -26.501 1.00 0.00 C ATOM 1833 C SER A 122 4.166 28.420 -28.021 1.00 0.00 C ATOM 1834 O SER A 122 5.059 27.677 -28.427 1.00 0.00 O ATOM 1835 CB SER A 122 4.659 29.769 -25.904 1.00 0.00 C ATOM 1836 OG SER A 122 4.314 30.998 -26.515 1.00 0.00 O ATOM 0 H SER A 122 5.042 27.469 -25.138 1.00 0.00 H new ATOM 0 HA SER A 122 2.815 28.749 -26.386 1.00 0.00 H new ATOM 0 HB2 SER A 122 4.459 29.830 -24.834 1.00 0.00 H new ATOM 0 HB3 SER A 122 5.729 29.598 -26.018 1.00 0.00 H new ATOM 0 HG SER A 122 4.828 31.724 -26.103 1.00 0.00 H new ATOM 1842 N SER A 123 3.368 29.115 -28.852 1.00 0.00 N ATOM 1843 CA SER A 123 3.525 29.135 -30.323 1.00 0.00 C ATOM 1844 C SER A 123 4.782 29.934 -30.748 1.00 0.00 C ATOM 1845 O SER A 123 5.349 30.686 -29.947 1.00 0.00 O ATOM 1846 CB SER A 123 2.258 29.762 -30.956 1.00 0.00 C ATOM 1847 OG SER A 123 1.079 29.082 -30.539 1.00 0.00 O ATOM 0 H SER A 123 2.589 29.684 -28.521 1.00 0.00 H new ATOM 0 HA SER A 123 3.652 28.111 -30.674 1.00 0.00 H new ATOM 0 HB2 SER A 123 2.192 30.813 -30.676 1.00 0.00 H new ATOM 0 HB3 SER A 123 2.336 29.726 -32.043 1.00 0.00 H new ATOM 0 HG SER A 123 0.296 29.501 -30.953 1.00 0.00 H new ATOM 1853 N LEU A 124 5.202 29.773 -32.020 1.00 0.00 N ATOM 1854 CA LEU A 124 6.329 30.550 -32.594 1.00 0.00 C ATOM 1855 C LEU A 124 5.926 32.024 -32.740 1.00 0.00 C ATOM 1856 O LEU A 124 6.710 32.932 -32.430 1.00 0.00 O ATOM 1857 CB LEU A 124 6.771 29.998 -33.990 1.00 0.00 C ATOM 1858 CG LEU A 124 7.372 28.560 -34.046 1.00 0.00 C ATOM 1859 CD1 LEU A 124 8.484 28.386 -32.999 1.00 0.00 C ATOM 1860 CD2 LEU A 124 6.282 27.471 -33.937 1.00 0.00 C ATOM 0 H LEU A 124 4.780 29.112 -32.672 1.00 0.00 H new ATOM 0 HA LEU A 124 7.172 30.454 -31.909 1.00 0.00 H new ATOM 0 HB2 LEU A 124 5.904 30.025 -34.650 1.00 0.00 H new ATOM 0 HB3 LEU A 124 7.509 30.686 -34.404 1.00 0.00 H new ATOM 0 HG LEU A 124 7.830 28.431 -35.027 1.00 0.00 H new ATOM 0 HD11 LEU A 124 8.886 27.375 -33.060 1.00 0.00 H new ATOM 0 HD12 LEU A 124 9.280 29.105 -33.191 1.00 0.00 H new ATOM 0 HD13 LEU A 124 8.075 28.555 -32.003 1.00 0.00 H new ATOM 0 HD21 LEU A 124 6.746 26.486 -33.981 1.00 0.00 H new ATOM 0 HD22 LEU A 124 5.751 27.581 -32.991 1.00 0.00 H new ATOM 0 HD23 LEU A 124 5.578 27.577 -34.762 1.00 0.00 H new