USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 706 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 25 GLN :FLIP amide:sc= -4.07 F(o=-11!,f=-7.3) USER MOD Set 1.2: A 37 MET CE :methyl 171:sc= -3.25 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 154:sc= -0.199 (180deg=-0.737) USER MOD Single : A 7 ASN : amide:sc= -2.2! C(o=-2.2!,f=-7!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 1.14 K(o=1.1,f=-0.31) USER MOD Single : A 24 GLN : amide:sc= -2.37 K(o=-2.4,f=-3.5!) USER MOD Single : A 28 ASN : amide:sc= -0.013 X(o=-0.013,f=-0.14) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 70:sc= 0.846 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.0568 K(o=-0.057,f=-1!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot -79:sc= -0.354 USER MOD Single : A 54 GLN : amide:sc= -0.786 K(o=-0.79,f=-1.7!) USER MOD Single : A 55 GLN : amide:sc= -0.369 K(o=-0.37,f=-1.3) USER MOD Single : A 57 THR OG1 : rot 94:sc= 0.00352 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0836) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= 0.224 X(o=0.22,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0.0561 X(o=0.056,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 110:sc= -2.11! USER MOD Single : A 90 LYS NZ :NH3+ -105:sc= -0.756 (180deg=-1.95) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 62 N LYS A 5 2.297 22.643 -7.297 1.00 0.00 N ATOM 63 CA LYS A 5 2.716 21.333 -7.793 1.00 0.00 C ATOM 64 C LYS A 5 3.404 20.523 -6.697 1.00 0.00 C ATOM 65 O LYS A 5 3.423 19.296 -6.738 1.00 0.00 O ATOM 66 CB LYS A 5 3.656 21.495 -8.990 1.00 0.00 C ATOM 67 CG LYS A 5 2.943 21.463 -10.331 1.00 0.00 C ATOM 68 CD LYS A 5 2.826 22.855 -10.935 1.00 0.00 C ATOM 69 CE LYS A 5 4.117 23.273 -11.621 1.00 0.00 C ATOM 70 NZ LYS A 5 4.474 22.357 -12.739 1.00 0.00 N ATOM 0 HA LYS A 5 1.824 20.793 -8.108 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.192 22.439 -8.895 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.402 20.701 -8.966 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.485 20.812 -11.017 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.948 21.035 -10.205 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.008 22.873 -11.655 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.579 23.573 -10.153 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.013 24.288 -12.003 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.927 23.288 -10.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.054 22.868 -13.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.011 21.548 -12.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.606 22.014 -13.198 1.00 0.00 H new ATOM 84 N ALA A 6 3.984 21.224 -5.728 1.00 0.00 N ATOM 85 CA ALA A 6 4.694 20.572 -4.633 1.00 0.00 C ATOM 86 C ALA A 6 3.830 19.483 -3.999 1.00 0.00 C ATOM 87 O ALA A 6 4.341 18.453 -3.549 1.00 0.00 O ATOM 88 CB ALA A 6 5.109 21.596 -3.588 1.00 0.00 C ATOM 0 H ALA A 6 3.976 22.243 -5.679 1.00 0.00 H new ATOM 0 HA ALA A 6 5.591 20.103 -5.038 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.638 21.095 -2.777 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.765 22.337 -4.045 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.223 22.091 -3.192 1.00 0.00 H new ATOM 94 N ASN A 7 2.519 19.697 -3.993 1.00 0.00 N ATOM 95 CA ASN A 7 1.596 18.714 -3.441 1.00 0.00 C ATOM 96 C ASN A 7 1.429 17.549 -4.414 1.00 0.00 C ATOM 97 O ASN A 7 1.217 16.406 -4.004 1.00 0.00 O ATOM 98 CB ASN A 7 0.237 19.353 -3.136 1.00 0.00 C ATOM 99 CG ASN A 7 -0.448 19.898 -4.375 1.00 0.00 C ATOM 100 OD1 ASN A 7 -0.578 19.207 -5.384 1.00 0.00 O ATOM 101 ND2 ASN A 7 -0.894 21.146 -4.301 1.00 0.00 N ATOM 0 H ASN A 7 2.074 20.537 -4.362 1.00 0.00 H new ATOM 0 HA ASN A 7 2.011 18.338 -2.506 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -0.410 18.613 -2.665 1.00 0.00 H new ATOM 0 HB3 ASN A 7 0.374 20.161 -2.417 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -1.366 21.567 -5.101 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -0.765 21.684 -3.444 1.00 0.00 H new ATOM 108 N LYS A 8 1.545 17.848 -5.706 1.00 0.00 N ATOM 109 CA LYS A 8 1.424 16.833 -6.743 1.00 0.00 C ATOM 110 C LYS A 8 2.706 16.013 -6.835 1.00 0.00 C ATOM 111 O LYS A 8 2.677 14.824 -7.147 1.00 0.00 O ATOM 112 CB LYS A 8 1.122 17.484 -8.094 1.00 0.00 C ATOM 113 CG LYS A 8 0.601 16.510 -9.137 1.00 0.00 C ATOM 114 CD LYS A 8 1.060 16.892 -10.535 1.00 0.00 C ATOM 115 CE LYS A 8 0.789 15.781 -11.536 1.00 0.00 C ATOM 116 NZ LYS A 8 1.955 15.544 -12.432 1.00 0.00 N ATOM 0 H LYS A 8 1.723 18.789 -6.058 1.00 0.00 H new ATOM 0 HA LYS A 8 0.600 16.170 -6.481 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.387 18.276 -7.950 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.029 17.956 -8.471 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.947 15.504 -8.902 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.488 16.488 -9.104 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.547 17.800 -10.851 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.126 17.117 -10.520 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.549 14.862 -11.002 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.084 16.038 -12.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.730 14.779 -13.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.169 16.414 -12.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.782 15.274 -11.862 1.00 0.00 H new ATOM 130 N ASP A 9 3.832 16.658 -6.545 1.00 0.00 N ATOM 131 CA ASP A 9 5.122 15.990 -6.577 1.00 0.00 C ATOM 132 C ASP A 9 5.257 15.077 -5.368 1.00 0.00 C ATOM 133 O ASP A 9 5.815 13.984 -5.456 1.00 0.00 O ATOM 134 CB ASP A 9 6.258 17.015 -6.590 1.00 0.00 C ATOM 135 CG ASP A 9 7.597 16.391 -6.930 1.00 0.00 C ATOM 136 OD1 ASP A 9 8.268 15.887 -6.005 1.00 0.00 O ATOM 137 OD2 ASP A 9 7.974 16.405 -8.120 1.00 0.00 O ATOM 0 H ASP A 9 3.874 17.644 -6.285 1.00 0.00 H new ATOM 0 HA ASP A 9 5.186 15.394 -7.487 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.030 17.796 -7.315 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.322 17.495 -5.613 1.00 0.00 H new ATOM 142 N LEU A 10 4.725 15.533 -4.238 1.00 0.00 N ATOM 143 CA LEU A 10 4.770 14.756 -3.009 1.00 0.00 C ATOM 144 C LEU A 10 3.855 13.539 -3.110 1.00 0.00 C ATOM 145 O LEU A 10 4.238 12.432 -2.730 1.00 0.00 O ATOM 146 CB LEU A 10 4.365 15.616 -1.813 1.00 0.00 C ATOM 147 CG LEU A 10 4.581 14.955 -0.449 1.00 0.00 C ATOM 148 CD1 LEU A 10 5.513 15.791 0.412 1.00 0.00 C ATOM 149 CD2 LEU A 10 3.251 14.735 0.255 1.00 0.00 C ATOM 0 H LEU A 10 4.259 16.436 -4.150 1.00 0.00 H new ATOM 0 HA LEU A 10 5.794 14.413 -2.862 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.930 16.547 -1.844 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.312 15.879 -1.912 1.00 0.00 H new ATOM 0 HG LEU A 10 5.048 13.983 -0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.653 15.303 1.377 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.477 15.891 -0.087 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.079 16.779 0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.425 14.264 1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.754 15.694 0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.619 14.089 -0.354 1.00 0.00 H new ATOM 161 N ILE A 11 2.647 13.749 -3.627 1.00 0.00 N ATOM 162 CA ILE A 11 1.686 12.662 -3.779 1.00 0.00 C ATOM 163 C ILE A 11 2.220 11.602 -4.739 1.00 0.00 C ATOM 164 O ILE A 11 2.221 10.412 -4.424 1.00 0.00 O ATOM 165 CB ILE A 11 0.306 13.188 -4.256 1.00 0.00 C ATOM 166 CG1 ILE A 11 -0.814 12.298 -3.717 1.00 0.00 C ATOM 167 CG2 ILE A 11 0.223 13.288 -5.775 1.00 0.00 C ATOM 168 CD1 ILE A 11 -2.197 12.756 -4.124 1.00 0.00 C ATOM 0 H ILE A 11 2.312 14.658 -3.946 1.00 0.00 H new ATOM 0 HA ILE A 11 1.546 12.204 -2.800 1.00 0.00 H new ATOM 0 HB ILE A 11 0.186 14.196 -3.860 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.659 11.278 -4.070 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.754 12.271 -2.629 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.760 13.660 -6.062 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.990 13.973 -6.137 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.380 12.303 -6.214 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.942 12.079 -3.707 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.372 13.764 -3.748 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.275 12.756 -5.211 1.00 0.00 H new ATOM 180 N SER A 12 2.677 12.038 -5.907 1.00 0.00 N ATOM 181 CA SER A 12 3.217 11.122 -6.903 1.00 0.00 C ATOM 182 C SER A 12 4.510 10.490 -6.403 1.00 0.00 C ATOM 183 O SER A 12 4.765 9.311 -6.641 1.00 0.00 O ATOM 184 CB SER A 12 3.469 11.857 -8.220 1.00 0.00 C ATOM 185 OG SER A 12 2.350 11.757 -9.083 1.00 0.00 O ATOM 0 H SER A 12 2.684 13.019 -6.187 1.00 0.00 H new ATOM 0 HA SER A 12 2.486 10.332 -7.074 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.684 12.906 -8.019 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.349 11.440 -8.710 1.00 0.00 H new ATOM 0 HG SER A 12 2.536 12.237 -9.917 1.00 0.00 H new ATOM 191 N ALA A 13 5.323 11.280 -5.709 1.00 0.00 N ATOM 192 CA ALA A 13 6.586 10.788 -5.175 1.00 0.00 C ATOM 193 C ALA A 13 6.340 9.720 -4.122 1.00 0.00 C ATOM 194 O ALA A 13 7.022 8.695 -4.087 1.00 0.00 O ATOM 195 CB ALA A 13 7.401 11.934 -4.592 1.00 0.00 C ATOM 0 H ALA A 13 5.130 12.260 -5.504 1.00 0.00 H new ATOM 0 HA ALA A 13 7.154 10.342 -5.991 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.341 11.548 -4.198 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.608 12.667 -5.372 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.838 12.409 -3.788 1.00 0.00 H new ATOM 201 N GLY A 14 5.346 9.958 -3.275 1.00 0.00 N ATOM 202 CA GLY A 14 5.010 8.998 -2.247 1.00 0.00 C ATOM 203 C GLY A 14 4.343 7.774 -2.834 1.00 0.00 C ATOM 204 O GLY A 14 4.568 6.652 -2.384 1.00 0.00 O ATOM 0 H GLY A 14 4.768 10.799 -3.283 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.913 8.702 -1.714 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.346 9.461 -1.517 1.00 0.00 H new ATOM 208 N LEU A 15 3.524 7.999 -3.857 1.00 0.00 N ATOM 209 CA LEU A 15 2.821 6.917 -4.530 1.00 0.00 C ATOM 210 C LEU A 15 3.795 6.060 -5.331 1.00 0.00 C ATOM 211 O LEU A 15 3.672 4.836 -5.372 1.00 0.00 O ATOM 212 CB LEU A 15 1.744 7.491 -5.454 1.00 0.00 C ATOM 213 CG LEU A 15 0.318 7.419 -4.906 1.00 0.00 C ATOM 214 CD1 LEU A 15 0.047 8.598 -3.986 1.00 0.00 C ATOM 215 CD2 LEU A 15 -0.689 7.383 -6.046 1.00 0.00 C ATOM 0 H LEU A 15 3.332 8.926 -4.238 1.00 0.00 H new ATOM 0 HA LEU A 15 2.348 6.288 -3.776 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.984 8.533 -5.664 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.780 6.958 -6.404 1.00 0.00 H new ATOM 0 HG LEU A 15 0.212 6.501 -4.329 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.972 8.534 -3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.750 8.579 -3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.168 9.528 -4.541 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.699 7.332 -5.638 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.587 8.284 -6.650 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.504 6.507 -6.667 1.00 0.00 H new ATOM 227 N LYS A 16 4.766 6.710 -5.968 1.00 0.00 N ATOM 228 CA LYS A 16 5.761 6.006 -6.767 1.00 0.00 C ATOM 229 C LYS A 16 6.630 5.124 -5.881 1.00 0.00 C ATOM 230 O LYS A 16 6.769 3.923 -6.122 1.00 0.00 O ATOM 231 CB LYS A 16 6.632 7.012 -7.524 1.00 0.00 C ATOM 232 CG LYS A 16 7.726 6.372 -8.362 1.00 0.00 C ATOM 233 CD LYS A 16 8.968 7.245 -8.414 1.00 0.00 C ATOM 234 CE LYS A 16 10.198 6.444 -8.809 1.00 0.00 C ATOM 235 NZ LYS A 16 10.517 6.593 -10.256 1.00 0.00 N ATOM 0 H LYS A 16 4.883 7.723 -5.945 1.00 0.00 H new ATOM 0 HA LYS A 16 5.244 5.371 -7.486 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.995 7.613 -8.173 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.089 7.694 -6.807 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.982 5.398 -7.946 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.358 6.200 -9.373 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.815 8.054 -9.128 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.131 7.706 -7.440 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.051 6.771 -8.214 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.034 5.391 -8.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.362 6.031 -10.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.714 6.257 -10.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.698 7.594 -10.470 1.00 0.00 H new ATOM 249 N GLU A 17 7.204 5.725 -4.844 1.00 0.00 N ATOM 250 CA GLU A 17 8.049 4.993 -3.913 1.00 0.00 C ATOM 251 C GLU A 17 7.269 3.853 -3.270 1.00 0.00 C ATOM 252 O GLU A 17 7.803 2.764 -3.053 1.00 0.00 O ATOM 253 CB GLU A 17 8.590 5.932 -2.832 1.00 0.00 C ATOM 254 CG GLU A 17 10.013 5.614 -2.405 1.00 0.00 C ATOM 255 CD GLU A 17 11.050 6.279 -3.288 1.00 0.00 C ATOM 256 OE1 GLU A 17 11.214 7.513 -3.185 1.00 0.00 O ATOM 257 OE2 GLU A 17 11.699 5.566 -4.082 1.00 0.00 O ATOM 0 H GLU A 17 7.098 6.716 -4.629 1.00 0.00 H new ATOM 0 HA GLU A 17 8.889 4.575 -4.468 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.551 6.957 -3.201 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.938 5.882 -1.960 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.159 5.936 -1.374 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.162 4.534 -2.426 1.00 0.00 H new ATOM 264 N PHE A 18 6.000 4.112 -2.968 1.00 0.00 N ATOM 265 CA PHE A 18 5.145 3.109 -2.349 1.00 0.00 C ATOM 266 C PHE A 18 4.840 1.972 -3.316 1.00 0.00 C ATOM 267 O PHE A 18 4.836 0.806 -2.928 1.00 0.00 O ATOM 268 CB PHE A 18 3.842 3.742 -1.861 1.00 0.00 C ATOM 269 CG PHE A 18 3.166 2.959 -0.770 1.00 0.00 C ATOM 270 CD1 PHE A 18 3.495 3.174 0.559 1.00 0.00 C ATOM 271 CD2 PHE A 18 2.202 2.010 -1.073 1.00 0.00 C ATOM 272 CE1 PHE A 18 2.876 2.457 1.565 1.00 0.00 C ATOM 273 CE2 PHE A 18 1.579 1.292 -0.071 1.00 0.00 C ATOM 274 CZ PHE A 18 1.916 1.515 1.250 1.00 0.00 C ATOM 0 H PHE A 18 5.543 5.007 -3.142 1.00 0.00 H new ATOM 0 HA PHE A 18 5.682 2.698 -1.494 1.00 0.00 H new ATOM 0 HB2 PHE A 18 4.050 4.749 -1.499 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.158 3.841 -2.704 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.244 3.910 0.811 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.935 1.830 -2.104 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.143 2.633 2.597 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.829 0.556 -0.320 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.430 0.954 2.035 1.00 0.00 H new ATOM 284 N SER A 19 4.585 2.310 -4.575 1.00 0.00 N ATOM 285 CA SER A 19 4.279 1.305 -5.586 1.00 0.00 C ATOM 286 C SER A 19 5.453 0.354 -5.782 1.00 0.00 C ATOM 287 O SER A 19 5.267 -0.851 -5.952 1.00 0.00 O ATOM 288 CB SER A 19 3.924 1.977 -6.913 1.00 0.00 C ATOM 289 OG SER A 19 2.894 1.271 -7.584 1.00 0.00 O ATOM 0 H SER A 19 4.584 3.270 -4.919 1.00 0.00 H new ATOM 0 HA SER A 19 3.422 0.727 -5.239 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.606 3.004 -6.731 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.809 2.025 -7.548 1.00 0.00 H new ATOM 0 HG SER A 19 2.685 1.722 -8.428 1.00 0.00 H new ATOM 295 N VAL A 20 6.664 0.898 -5.742 1.00 0.00 N ATOM 296 CA VAL A 20 7.864 0.087 -5.900 1.00 0.00 C ATOM 297 C VAL A 20 8.090 -0.755 -4.652 1.00 0.00 C ATOM 298 O VAL A 20 8.445 -1.929 -4.731 1.00 0.00 O ATOM 299 CB VAL A 20 9.113 0.955 -6.152 1.00 0.00 C ATOM 300 CG1 VAL A 20 10.246 0.109 -6.712 1.00 0.00 C ATOM 301 CG2 VAL A 20 8.786 2.110 -7.089 1.00 0.00 C ATOM 0 H VAL A 20 6.840 1.893 -5.602 1.00 0.00 H new ATOM 0 HA VAL A 20 7.711 -0.555 -6.767 1.00 0.00 H new ATOM 0 HB VAL A 20 9.438 1.374 -5.200 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.119 0.738 -6.884 1.00 0.00 H new ATOM 0 HG12 VAL A 20 10.499 -0.677 -6.000 1.00 0.00 H new ATOM 0 HG13 VAL A 20 9.933 -0.341 -7.654 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.681 2.710 -7.253 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.433 1.716 -8.042 1.00 0.00 H new ATOM 0 HG23 VAL A 20 8.010 2.732 -6.643 1.00 0.00 H new ATOM 311 N LEU A 21 7.865 -0.134 -3.499 1.00 0.00 N ATOM 312 CA LEU A 21 8.027 -0.807 -2.214 1.00 0.00 C ATOM 313 C LEU A 21 7.169 -2.069 -2.155 1.00 0.00 C ATOM 314 O LEU A 21 7.643 -3.139 -1.773 1.00 0.00 O ATOM 315 CB LEU A 21 7.653 0.140 -1.069 1.00 0.00 C ATOM 316 CG LEU A 21 7.551 -0.510 0.314 1.00 0.00 C ATOM 317 CD1 LEU A 21 8.762 -1.389 0.587 1.00 0.00 C ATOM 318 CD2 LEU A 21 7.409 0.556 1.391 1.00 0.00 C ATOM 0 H LEU A 21 7.568 0.839 -3.428 1.00 0.00 H new ATOM 0 HA LEU A 21 9.073 -1.095 -2.106 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.394 0.938 -1.023 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.696 0.607 -1.304 1.00 0.00 H new ATOM 0 HG LEU A 21 6.663 -1.141 0.332 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.669 -1.841 1.575 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.819 -2.174 -0.167 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.667 -0.783 0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.338 0.079 2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.279 1.212 1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.508 1.142 1.207 1.00 0.00 H new ATOM 330 N LEU A 22 5.902 -1.931 -2.534 1.00 0.00 N ATOM 331 CA LEU A 22 4.970 -3.053 -2.524 1.00 0.00 C ATOM 332 C LEU A 22 5.287 -4.051 -3.636 1.00 0.00 C ATOM 333 O LEU A 22 5.115 -5.258 -3.469 1.00 0.00 O ATOM 334 CB LEU A 22 3.535 -2.548 -2.694 1.00 0.00 C ATOM 335 CG LEU A 22 3.077 -1.493 -1.683 1.00 0.00 C ATOM 336 CD1 LEU A 22 1.614 -1.141 -1.912 1.00 0.00 C ATOM 337 CD2 LEU A 22 3.294 -1.975 -0.254 1.00 0.00 C ATOM 0 H LEU A 22 5.497 -1.051 -2.853 1.00 0.00 H new ATOM 0 HA LEU A 22 5.073 -3.559 -1.564 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.432 -2.132 -3.696 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.860 -3.401 -2.632 1.00 0.00 H new ATOM 0 HG LEU A 22 3.679 -0.596 -1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.303 -0.390 -1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.488 -0.745 -2.920 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.002 -2.035 -1.794 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.960 -1.207 0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.724 -2.889 -0.088 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.354 -2.175 -0.094 1.00 0.00 H new ATOM 349 N ASN A 23 5.731 -3.534 -4.776 1.00 0.00 N ATOM 350 CA ASN A 23 6.051 -4.368 -5.931 1.00 0.00 C ATOM 351 C ASN A 23 7.451 -4.976 -5.845 1.00 0.00 C ATOM 352 O ASN A 23 7.871 -5.691 -6.755 1.00 0.00 O ATOM 353 CB ASN A 23 5.926 -3.550 -7.218 1.00 0.00 C ATOM 354 CG ASN A 23 4.503 -3.506 -7.740 1.00 0.00 C ATOM 355 OD1 ASN A 23 4.016 -4.471 -8.330 1.00 0.00 O ATOM 356 ND2 ASN A 23 3.828 -2.383 -7.526 1.00 0.00 N ATOM 0 H ASN A 23 5.878 -2.536 -4.926 1.00 0.00 H new ATOM 0 HA ASN A 23 5.336 -5.191 -5.938 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.274 -2.534 -7.034 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.577 -3.977 -7.981 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.867 -2.295 -7.855 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.271 -1.608 -7.032 1.00 0.00 H new ATOM 363 N GLN A 24 8.182 -4.690 -4.770 1.00 0.00 N ATOM 364 CA GLN A 24 9.534 -5.220 -4.619 1.00 0.00 C ATOM 365 C GLN A 24 9.554 -6.531 -3.835 1.00 0.00 C ATOM 366 O GLN A 24 10.548 -6.855 -3.185 1.00 0.00 O ATOM 367 CB GLN A 24 10.436 -4.192 -3.929 1.00 0.00 C ATOM 368 CG GLN A 24 11.772 -3.990 -4.625 1.00 0.00 C ATOM 369 CD GLN A 24 11.837 -2.686 -5.396 1.00 0.00 C ATOM 370 OE1 GLN A 24 11.544 -2.643 -6.591 1.00 0.00 O ATOM 371 NE2 GLN A 24 12.224 -1.614 -4.715 1.00 0.00 N ATOM 0 H GLN A 24 7.866 -4.101 -3.999 1.00 0.00 H new ATOM 0 HA GLN A 24 9.911 -5.425 -5.621 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.913 -3.237 -3.880 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.615 -4.510 -2.902 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.570 -4.009 -3.883 1.00 0.00 H new ATOM 0 HG3 GLN A 24 11.951 -4.821 -5.308 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.457 -1.695 -3.725 1.00 0.00 H new ATOM 0 HE22 GLN A 24 12.288 -0.709 -5.181 1.00 0.00 H new ATOM 380 N GLN A 25 8.467 -7.292 -3.908 1.00 0.00 N ATOM 381 CA GLN A 25 8.393 -8.570 -3.208 1.00 0.00 C ATOM 382 C GLN A 25 8.831 -9.705 -4.128 1.00 0.00 C ATOM 383 O GLN A 25 9.143 -9.477 -5.297 1.00 0.00 O ATOM 384 CB GLN A 25 6.980 -8.821 -2.682 1.00 0.00 C ATOM 385 CG GLN A 25 6.583 -7.913 -1.527 1.00 0.00 C ATOM 386 CD GLN A 25 7.664 -7.798 -0.465 1.00 0.00 C ATOM 387 OE1 GLN A 25 8.356 -8.901 -0.199 1.00 0.00 O flip ATOM 388 NE2 GLN A 25 7.873 -6.730 0.110 1.00 0.00 N flip ATOM 0 H GLN A 25 7.631 -7.049 -4.440 1.00 0.00 H new ATOM 0 HA GLN A 25 9.070 -8.533 -2.355 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.270 -8.687 -3.498 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.902 -9.859 -2.359 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.355 -6.920 -1.914 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.670 -8.294 -1.069 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.318 -5.907 -0.125 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.601 -6.668 0.822 1.00 0.00 H new ATOM 397 N VAL A 26 8.878 -10.923 -3.597 1.00 0.00 N ATOM 398 CA VAL A 26 9.308 -12.072 -4.386 1.00 0.00 C ATOM 399 C VAL A 26 8.141 -12.949 -4.839 1.00 0.00 C ATOM 400 O VAL A 26 8.146 -14.162 -4.622 1.00 0.00 O ATOM 401 CB VAL A 26 10.313 -12.939 -3.603 1.00 0.00 C ATOM 402 CG1 VAL A 26 11.672 -12.260 -3.544 1.00 0.00 C ATOM 403 CG2 VAL A 26 9.792 -13.228 -2.203 1.00 0.00 C ATOM 0 H VAL A 26 8.626 -11.139 -2.632 1.00 0.00 H new ATOM 0 HA VAL A 26 9.787 -11.661 -5.274 1.00 0.00 H new ATOM 0 HB VAL A 26 10.430 -13.888 -4.125 1.00 0.00 H new ATOM 0 HG11 VAL A 26 12.368 -12.887 -2.987 1.00 0.00 H new ATOM 0 HG12 VAL A 26 12.048 -12.110 -4.556 1.00 0.00 H new ATOM 0 HG13 VAL A 26 11.575 -11.295 -3.046 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.515 -13.841 -1.665 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.644 -12.289 -1.669 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.843 -13.761 -2.271 1.00 0.00 H new ATOM 413 N PHE A 27 7.128 -12.332 -5.438 1.00 0.00 N ATOM 414 CA PHE A 27 5.953 -13.083 -5.871 1.00 0.00 C ATOM 415 C PHE A 27 6.340 -14.114 -6.926 1.00 0.00 C ATOM 416 O PHE A 27 6.607 -13.782 -8.081 1.00 0.00 O ATOM 417 CB PHE A 27 4.880 -12.160 -6.456 1.00 0.00 C ATOM 418 CG PHE A 27 4.556 -10.959 -5.618 1.00 0.00 C ATOM 419 CD1 PHE A 27 3.752 -11.077 -4.496 1.00 0.00 C ATOM 420 CD2 PHE A 27 5.032 -9.704 -5.969 1.00 0.00 C ATOM 421 CE1 PHE A 27 3.432 -9.968 -3.737 1.00 0.00 C ATOM 422 CE2 PHE A 27 4.710 -8.591 -5.217 1.00 0.00 C ATOM 423 CZ PHE A 27 3.910 -8.725 -4.098 1.00 0.00 C ATOM 0 H PHE A 27 7.095 -11.331 -5.633 1.00 0.00 H new ATOM 0 HA PHE A 27 5.548 -13.582 -4.991 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.209 -11.822 -7.439 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.968 -12.737 -6.606 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.371 -12.047 -4.212 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.661 -9.596 -6.840 1.00 0.00 H new ATOM 0 HE1 PHE A 27 2.808 -10.074 -2.862 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.082 -7.618 -5.503 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.659 -7.857 -3.506 1.00 0.00 H new ATOM 433 N ASN A 28 6.367 -15.372 -6.495 1.00 0.00 N ATOM 434 CA ASN A 28 6.716 -16.493 -7.356 1.00 0.00 C ATOM 435 C ASN A 28 6.661 -17.792 -6.557 1.00 0.00 C ATOM 436 O ASN A 28 6.117 -18.797 -7.013 1.00 0.00 O ATOM 437 CB ASN A 28 8.113 -16.297 -7.952 1.00 0.00 C ATOM 438 CG ASN A 28 8.164 -16.641 -9.428 1.00 0.00 C ATOM 439 OD1 ASN A 28 7.364 -16.144 -10.221 1.00 0.00 O ATOM 440 ND2 ASN A 28 9.108 -17.495 -9.804 1.00 0.00 N ATOM 0 H ASN A 28 6.147 -15.641 -5.536 1.00 0.00 H new ATOM 0 HA ASN A 28 5.998 -16.546 -8.175 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.423 -15.261 -7.812 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.826 -16.919 -7.412 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.192 -17.764 -10.784 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.750 -17.883 -9.113 1.00 0.00 H new ATOM 447 N ASP A 29 7.212 -17.745 -5.350 1.00 0.00 N ATOM 448 CA ASP A 29 7.219 -18.896 -4.451 1.00 0.00 C ATOM 449 C ASP A 29 6.625 -18.505 -3.101 1.00 0.00 C ATOM 450 O ASP A 29 7.321 -17.963 -2.247 1.00 0.00 O ATOM 451 CB ASP A 29 8.646 -19.421 -4.269 1.00 0.00 C ATOM 452 CG ASP A 29 8.783 -20.876 -4.673 1.00 0.00 C ATOM 453 OD1 ASP A 29 8.276 -21.242 -5.754 1.00 0.00 O ATOM 454 OD2 ASP A 29 9.395 -21.650 -3.908 1.00 0.00 O ATOM 0 H ASP A 29 7.664 -16.915 -4.967 1.00 0.00 H new ATOM 0 HA ASP A 29 6.612 -19.688 -4.889 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.331 -18.816 -4.863 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.942 -19.307 -3.226 1.00 0.00 H new ATOM 459 N ALA A 30 5.323 -18.718 -2.941 1.00 0.00 N ATOM 460 CA ALA A 30 4.622 -18.325 -1.719 1.00 0.00 C ATOM 461 C ALA A 30 4.951 -19.212 -0.515 1.00 0.00 C ATOM 462 O ALA A 30 4.526 -20.364 -0.431 1.00 0.00 O ATOM 463 CB ALA A 30 3.122 -18.323 -1.965 1.00 0.00 C ATOM 0 H ALA A 30 4.729 -19.161 -3.642 1.00 0.00 H new ATOM 0 HA ALA A 30 4.969 -17.322 -1.469 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.604 -18.030 -1.052 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.885 -17.616 -2.760 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.800 -19.322 -2.260 1.00 0.00 H new ATOM 469 N LEU A 31 5.704 -18.632 0.420 1.00 0.00 N ATOM 470 CA LEU A 31 6.091 -19.336 1.643 1.00 0.00 C ATOM 471 C LEU A 31 5.677 -18.570 2.901 1.00 0.00 C ATOM 472 O LEU A 31 5.066 -19.141 3.804 1.00 0.00 O ATOM 473 CB LEU A 31 7.597 -19.697 1.663 1.00 0.00 C ATOM 474 CG LEU A 31 8.627 -18.554 1.564 1.00 0.00 C ATOM 475 CD1 LEU A 31 8.333 -17.634 0.390 1.00 0.00 C ATOM 476 CD2 LEU A 31 8.716 -17.776 2.870 1.00 0.00 C ATOM 0 H LEU A 31 6.058 -17.678 0.354 1.00 0.00 H new ATOM 0 HA LEU A 31 5.541 -20.277 1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.795 -20.243 2.585 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.784 -20.385 0.839 1.00 0.00 H new ATOM 0 HG LEU A 31 9.601 -19.009 1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.080 -16.841 0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.365 -18.206 -0.537 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.343 -17.194 0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.450 -16.977 2.768 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.742 -17.346 3.104 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.019 -18.447 3.673 1.00 0.00 H new ATOM 488 N VAL A 32 6.019 -17.293 2.969 1.00 0.00 N ATOM 489 CA VAL A 32 5.686 -16.476 4.134 1.00 0.00 C ATOM 490 C VAL A 32 4.180 -16.261 4.255 1.00 0.00 C ATOM 491 O VAL A 32 3.464 -16.216 3.254 1.00 0.00 O ATOM 492 CB VAL A 32 6.394 -15.108 4.087 1.00 0.00 C ATOM 493 CG1 VAL A 32 5.919 -14.295 2.895 1.00 0.00 C ATOM 494 CG2 VAL A 32 6.170 -14.345 5.384 1.00 0.00 C ATOM 0 H VAL A 32 6.526 -16.797 2.235 1.00 0.00 H new ATOM 0 HA VAL A 32 6.036 -17.025 5.008 1.00 0.00 H new ATOM 0 HB VAL A 32 7.464 -15.281 3.973 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.432 -13.334 2.883 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.139 -14.836 1.975 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.844 -14.131 2.971 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.677 -13.382 5.332 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.102 -14.185 5.532 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.570 -14.921 6.219 1.00 0.00 H new ATOM 504 N SER A 33 3.706 -16.128 5.491 1.00 0.00 N ATOM 505 CA SER A 33 2.287 -15.917 5.753 1.00 0.00 C ATOM 506 C SER A 33 1.807 -14.611 5.130 1.00 0.00 C ATOM 507 O SER A 33 2.575 -13.658 4.991 1.00 0.00 O ATOM 508 CB SER A 33 2.021 -15.907 7.260 1.00 0.00 C ATOM 509 OG SER A 33 0.724 -16.395 7.552 1.00 0.00 O ATOM 0 H SER A 33 4.287 -16.163 6.329 1.00 0.00 H new ATOM 0 HA SER A 33 1.733 -16.739 5.300 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.766 -16.519 7.768 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.126 -14.892 7.644 1.00 0.00 H new ATOM 0 HG SER A 33 0.579 -16.380 8.521 1.00 0.00 H new ATOM 515 N GLU A 34 0.534 -14.574 4.752 1.00 0.00 N ATOM 516 CA GLU A 34 -0.045 -13.385 4.138 1.00 0.00 C ATOM 517 C GLU A 34 -0.286 -12.295 5.177 1.00 0.00 C ATOM 518 O GLU A 34 -0.145 -11.108 4.888 1.00 0.00 O ATOM 519 CB GLU A 34 -1.355 -13.733 3.424 1.00 0.00 C ATOM 520 CG GLU A 34 -2.421 -14.310 4.341 1.00 0.00 C ATOM 521 CD GLU A 34 -2.426 -15.826 4.350 1.00 0.00 C ATOM 522 OE1 GLU A 34 -2.930 -16.424 3.376 1.00 0.00 O ATOM 523 OE2 GLU A 34 -1.925 -16.415 5.331 1.00 0.00 O ATOM 0 H GLU A 34 -0.116 -15.353 4.860 1.00 0.00 H new ATOM 0 HA GLU A 34 0.666 -13.007 3.404 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.747 -12.835 2.947 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.146 -14.450 2.630 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.258 -13.945 5.355 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.400 -13.949 4.026 1.00 0.00 H new ATOM 530 N GLU A 35 -0.645 -12.706 6.389 1.00 0.00 N ATOM 531 CA GLU A 35 -0.901 -11.761 7.469 1.00 0.00 C ATOM 532 C GLU A 35 0.338 -10.920 7.749 1.00 0.00 C ATOM 533 O GLU A 35 0.240 -9.722 8.010 1.00 0.00 O ATOM 534 CB GLU A 35 -1.330 -12.504 8.736 1.00 0.00 C ATOM 535 CG GLU A 35 -2.390 -11.771 9.541 1.00 0.00 C ATOM 536 CD GLU A 35 -2.024 -11.637 11.007 1.00 0.00 C ATOM 537 OE1 GLU A 35 -1.296 -10.683 11.352 1.00 0.00 O ATOM 538 OE2 GLU A 35 -2.465 -12.487 11.809 1.00 0.00 O ATOM 0 H GLU A 35 -0.765 -13.685 6.647 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.709 -11.098 7.160 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.711 -13.487 8.459 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.455 -12.667 9.366 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.541 -10.779 9.116 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.338 -12.302 9.455 1.00 0.00 H new ATOM 545 N ASP A 36 1.504 -11.555 7.686 1.00 0.00 N ATOM 546 CA ASP A 36 2.761 -10.860 7.925 1.00 0.00 C ATOM 547 C ASP A 36 2.939 -9.733 6.918 1.00 0.00 C ATOM 548 O ASP A 36 3.110 -8.574 7.294 1.00 0.00 O ATOM 549 CB ASP A 36 3.938 -11.832 7.846 1.00 0.00 C ATOM 550 CG ASP A 36 5.140 -11.350 8.633 1.00 0.00 C ATOM 551 OD1 ASP A 36 5.099 -11.415 9.879 1.00 0.00 O ATOM 552 OD2 ASP A 36 6.125 -10.909 8.003 1.00 0.00 O ATOM 0 H ASP A 36 1.603 -12.547 7.472 1.00 0.00 H new ATOM 0 HA ASP A 36 2.734 -10.434 8.928 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.627 -12.806 8.223 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.222 -11.970 6.803 1.00 0.00 H new ATOM 557 N MET A 37 2.876 -10.074 5.633 1.00 0.00 N ATOM 558 CA MET A 37 3.009 -9.074 4.585 1.00 0.00 C ATOM 559 C MET A 37 1.936 -8.011 4.761 1.00 0.00 C ATOM 560 O MET A 37 2.196 -6.815 4.633 1.00 0.00 O ATOM 561 CB MET A 37 2.880 -9.715 3.195 1.00 0.00 C ATOM 562 CG MET A 37 4.185 -9.813 2.410 1.00 0.00 C ATOM 563 SD MET A 37 5.244 -8.359 2.572 1.00 0.00 S ATOM 564 CE MET A 37 6.840 -9.064 2.175 1.00 0.00 C ATOM 0 H MET A 37 2.735 -11.027 5.298 1.00 0.00 H new ATOM 0 HA MET A 37 3.997 -8.619 4.662 1.00 0.00 H new ATOM 0 HB2 MET A 37 2.466 -10.717 3.310 1.00 0.00 H new ATOM 0 HB3 MET A 37 2.163 -9.139 2.610 1.00 0.00 H new ATOM 0 HG2 MET A 37 4.736 -10.691 2.747 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.953 -9.967 1.356 1.00 0.00 H new ATOM 0 HE1 MET A 37 7.575 -8.266 2.074 1.00 0.00 H new ATOM 0 HE2 MET A 37 7.147 -9.742 2.972 1.00 0.00 H new ATOM 0 HE3 MET A 37 6.771 -9.615 1.237 1.00 0.00 H new ATOM 574 N VAL A 38 0.716 -8.468 5.033 1.00 0.00 N ATOM 575 CA VAL A 38 -0.415 -7.570 5.201 1.00 0.00 C ATOM 576 C VAL A 38 -0.142 -6.541 6.294 1.00 0.00 C ATOM 577 O VAL A 38 -0.414 -5.356 6.105 1.00 0.00 O ATOM 578 CB VAL A 38 -1.696 -8.360 5.543 1.00 0.00 C ATOM 579 CG1 VAL A 38 -2.846 -7.425 5.890 1.00 0.00 C ATOM 580 CG2 VAL A 38 -2.081 -9.275 4.389 1.00 0.00 C ATOM 0 H VAL A 38 0.489 -9.457 5.141 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.561 -7.047 4.256 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.488 -8.973 6.420 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.734 -8.012 6.126 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.573 -6.817 6.753 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.056 -6.775 5.040 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.986 -9.825 4.647 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.261 -8.677 3.495 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.271 -9.979 4.197 1.00 0.00 H new ATOM 590 N THR A 39 0.398 -6.973 7.432 1.00 0.00 N ATOM 591 CA THR A 39 0.693 -6.042 8.513 1.00 0.00 C ATOM 592 C THR A 39 1.828 -5.105 8.116 1.00 0.00 C ATOM 593 O THR A 39 1.871 -3.951 8.539 1.00 0.00 O ATOM 594 CB THR A 39 1.065 -6.805 9.786 1.00 0.00 C ATOM 595 OG1 THR A 39 0.077 -7.771 10.097 1.00 0.00 O ATOM 596 CG2 THR A 39 1.230 -5.911 10.996 1.00 0.00 C ATOM 0 H THR A 39 0.636 -7.946 7.626 1.00 0.00 H new ATOM 0 HA THR A 39 -0.200 -5.447 8.707 1.00 0.00 H new ATOM 0 HB THR A 39 2.025 -7.275 9.570 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.112 -8.497 9.440 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.493 -6.517 11.863 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.021 -5.185 10.807 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.295 -5.386 11.191 1.00 0.00 H new ATOM 604 N VAL A 40 2.746 -5.610 7.297 1.00 0.00 N ATOM 605 CA VAL A 40 3.878 -4.815 6.836 1.00 0.00 C ATOM 606 C VAL A 40 3.404 -3.640 5.989 1.00 0.00 C ATOM 607 O VAL A 40 3.769 -2.492 6.239 1.00 0.00 O ATOM 608 CB VAL A 40 4.867 -5.665 6.015 1.00 0.00 C ATOM 609 CG1 VAL A 40 6.104 -4.854 5.660 1.00 0.00 C ATOM 610 CG2 VAL A 40 5.247 -6.930 6.773 1.00 0.00 C ATOM 0 H VAL A 40 2.728 -6.565 6.940 1.00 0.00 H new ATOM 0 HA VAL A 40 4.390 -4.441 7.723 1.00 0.00 H new ATOM 0 HB VAL A 40 4.377 -5.961 5.087 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.790 -5.472 5.080 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.812 -3.985 5.071 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.597 -4.524 6.574 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.946 -7.516 6.176 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.716 -6.660 7.719 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.352 -7.521 6.967 1.00 0.00 H new ATOM 620 N VAL A 41 2.581 -3.936 4.989 1.00 0.00 N ATOM 621 CA VAL A 41 2.050 -2.906 4.108 1.00 0.00 C ATOM 622 C VAL A 41 1.192 -1.917 4.889 1.00 0.00 C ATOM 623 O VAL A 41 1.261 -0.708 4.669 1.00 0.00 O ATOM 624 CB VAL A 41 1.206 -3.517 2.973 1.00 0.00 C ATOM 625 CG1 VAL A 41 0.747 -2.438 2.003 1.00 0.00 C ATOM 626 CG2 VAL A 41 1.992 -4.596 2.246 1.00 0.00 C ATOM 0 H VAL A 41 2.268 -4.882 4.769 1.00 0.00 H new ATOM 0 HA VAL A 41 2.903 -2.385 3.673 1.00 0.00 H new ATOM 0 HB VAL A 41 0.321 -3.976 3.413 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.153 -2.891 1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.142 -1.704 2.535 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.617 -1.945 1.569 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.380 -5.016 1.448 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.897 -4.162 1.820 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.263 -5.384 2.948 1.00 0.00 H new ATOM 636 N GLU A 42 0.384 -2.443 5.803 1.00 0.00 N ATOM 637 CA GLU A 42 -0.489 -1.612 6.620 1.00 0.00 C ATOM 638 C GLU A 42 0.324 -0.687 7.519 1.00 0.00 C ATOM 639 O GLU A 42 -0.013 0.485 7.686 1.00 0.00 O ATOM 640 CB GLU A 42 -1.414 -2.488 7.468 1.00 0.00 C ATOM 641 CG GLU A 42 -2.875 -2.072 7.403 1.00 0.00 C ATOM 642 CD GLU A 42 -3.690 -2.956 6.480 1.00 0.00 C ATOM 643 OE1 GLU A 42 -3.865 -4.150 6.803 1.00 0.00 O ATOM 644 OE2 GLU A 42 -4.155 -2.454 5.435 1.00 0.00 O ATOM 0 H GLU A 42 0.316 -3.442 5.996 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.094 -0.998 5.953 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.325 -3.523 7.137 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.081 -2.455 8.505 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.304 -2.105 8.405 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.940 -1.039 7.062 1.00 0.00 H new ATOM 651 N ASP A 43 1.392 -1.218 8.104 1.00 0.00 N ATOM 652 CA ASP A 43 2.242 -0.432 8.989 1.00 0.00 C ATOM 653 C ASP A 43 2.911 0.715 8.235 1.00 0.00 C ATOM 654 O ASP A 43 2.986 1.837 8.737 1.00 0.00 O ATOM 655 CB ASP A 43 3.292 -1.330 9.665 1.00 0.00 C ATOM 656 CG ASP A 43 4.622 -1.368 8.929 1.00 0.00 C ATOM 657 OD1 ASP A 43 5.317 -0.330 8.900 1.00 0.00 O ATOM 658 OD2 ASP A 43 4.971 -2.437 8.388 1.00 0.00 O ATOM 0 H ASP A 43 1.689 -2.186 7.982 1.00 0.00 H new ATOM 0 HA ASP A 43 1.612 0.004 9.764 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.459 -0.977 10.683 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.898 -2.344 9.739 1.00 0.00 H new ATOM 663 N TRP A 44 3.404 0.431 7.032 1.00 0.00 N ATOM 664 CA TRP A 44 4.073 1.447 6.227 1.00 0.00 C ATOM 665 C TRP A 44 3.092 2.524 5.771 1.00 0.00 C ATOM 666 O TRP A 44 3.363 3.717 5.907 1.00 0.00 O ATOM 667 CB TRP A 44 4.737 0.806 5.006 1.00 0.00 C ATOM 668 CG TRP A 44 5.884 -0.095 5.353 1.00 0.00 C ATOM 669 CD1 TRP A 44 6.671 -0.030 6.466 1.00 0.00 C ATOM 670 CD2 TRP A 44 6.372 -1.196 4.579 1.00 0.00 C ATOM 671 NE1 TRP A 44 7.620 -1.024 6.431 1.00 0.00 N ATOM 672 CE2 TRP A 44 7.456 -1.753 5.281 1.00 0.00 C ATOM 673 CE3 TRP A 44 5.996 -1.766 3.358 1.00 0.00 C ATOM 674 CZ2 TRP A 44 8.168 -2.851 4.805 1.00 0.00 C ATOM 675 CZ3 TRP A 44 6.704 -2.856 2.886 1.00 0.00 C ATOM 676 CH2 TRP A 44 7.778 -3.389 3.608 1.00 0.00 C ATOM 0 H TRP A 44 3.353 -0.490 6.596 1.00 0.00 H new ATOM 0 HA TRP A 44 4.836 1.915 6.849 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.990 0.235 4.454 1.00 0.00 H new ATOM 0 HB3 TRP A 44 5.092 1.593 4.340 1.00 0.00 H new ATOM 0 HD1 TRP A 44 6.564 0.696 7.258 1.00 0.00 H new ATOM 0 HE1 TRP A 44 8.330 -1.192 7.144 1.00 0.00 H new ATOM 0 HE3 TRP A 44 5.168 -1.362 2.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 8.998 -3.263 5.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 6.423 -3.304 1.944 1.00 0.00 H new ATOM 0 HH2 TRP A 44 8.310 -4.242 3.213 1.00 0.00 H new ATOM 687 N MET A 45 1.957 2.101 5.221 1.00 0.00 N ATOM 688 CA MET A 45 0.951 3.042 4.741 1.00 0.00 C ATOM 689 C MET A 45 0.469 3.948 5.871 1.00 0.00 C ATOM 690 O MET A 45 0.221 5.134 5.664 1.00 0.00 O ATOM 691 CB MET A 45 -0.228 2.292 4.103 1.00 0.00 C ATOM 692 CG MET A 45 -1.289 1.829 5.091 1.00 0.00 C ATOM 693 SD MET A 45 -2.599 3.047 5.321 1.00 0.00 S ATOM 694 CE MET A 45 -4.032 2.103 4.808 1.00 0.00 C ATOM 0 H MET A 45 1.712 1.119 5.097 1.00 0.00 H new ATOM 0 HA MET A 45 1.410 3.671 3.979 1.00 0.00 H new ATOM 0 HB2 MET A 45 -0.697 2.940 3.363 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.157 1.423 3.568 1.00 0.00 H new ATOM 0 HG2 MET A 45 -1.725 0.894 4.739 1.00 0.00 H new ATOM 0 HG3 MET A 45 -0.819 1.620 6.052 1.00 0.00 H new ATOM 0 HE1 MET A 45 -4.925 2.722 4.894 1.00 0.00 H new ATOM 0 HE2 MET A 45 -3.908 1.787 3.772 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.136 1.225 5.445 1.00 0.00 H new ATOM 704 N ASN A 46 0.347 3.382 7.066 1.00 0.00 N ATOM 705 CA ASN A 46 -0.097 4.145 8.225 1.00 0.00 C ATOM 706 C ASN A 46 0.976 5.136 8.655 1.00 0.00 C ATOM 707 O ASN A 46 0.684 6.297 8.948 1.00 0.00 O ATOM 708 CB ASN A 46 -0.440 3.205 9.384 1.00 0.00 C ATOM 709 CG ASN A 46 -1.450 3.810 10.339 1.00 0.00 C ATOM 710 OD1 ASN A 46 -2.365 4.522 9.924 1.00 0.00 O ATOM 711 ND2 ASN A 46 -1.288 3.530 11.626 1.00 0.00 N ATOM 0 H ASN A 46 0.549 2.401 7.257 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.993 4.700 7.947 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.835 2.271 8.986 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.471 2.959 9.930 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -1.936 3.910 12.316 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.515 2.935 11.925 1.00 0.00 H new ATOM 718 N PHE A 47 2.222 4.675 8.676 1.00 0.00 N ATOM 719 CA PHE A 47 3.341 5.528 9.052 1.00 0.00 C ATOM 720 C PHE A 47 3.512 6.646 8.031 1.00 0.00 C ATOM 721 O PHE A 47 3.882 7.769 8.375 1.00 0.00 O ATOM 722 CB PHE A 47 4.626 4.703 9.154 1.00 0.00 C ATOM 723 CG PHE A 47 5.832 5.510 9.544 1.00 0.00 C ATOM 724 CD1 PHE A 47 6.589 6.158 8.581 1.00 0.00 C ATOM 725 CD2 PHE A 47 6.207 5.622 10.873 1.00 0.00 C ATOM 726 CE1 PHE A 47 7.699 6.901 8.936 1.00 0.00 C ATOM 727 CE2 PHE A 47 7.315 6.363 11.234 1.00 0.00 C ATOM 728 CZ PHE A 47 8.063 7.003 10.265 1.00 0.00 C ATOM 0 H PHE A 47 2.481 3.718 8.438 1.00 0.00 H new ATOM 0 HA PHE A 47 3.133 5.970 10.026 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.480 3.908 9.885 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.816 4.223 8.194 1.00 0.00 H new ATOM 0 HD1 PHE A 47 6.308 6.082 7.541 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.626 5.124 11.635 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.281 7.401 8.176 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.597 6.442 12.274 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.931 7.582 10.546 1.00 0.00 H new ATOM 738 N TYR A 48 3.227 6.326 6.772 1.00 0.00 N ATOM 739 CA TYR A 48 3.336 7.298 5.693 1.00 0.00 C ATOM 740 C TYR A 48 2.324 8.422 5.879 1.00 0.00 C ATOM 741 O TYR A 48 2.676 9.599 5.832 1.00 0.00 O ATOM 742 CB TYR A 48 3.121 6.615 4.340 1.00 0.00 C ATOM 743 CG TYR A 48 4.384 6.487 3.519 1.00 0.00 C ATOM 744 CD1 TYR A 48 5.462 5.742 3.980 1.00 0.00 C ATOM 745 CD2 TYR A 48 4.499 7.114 2.284 1.00 0.00 C ATOM 746 CE1 TYR A 48 6.618 5.624 3.232 1.00 0.00 C ATOM 747 CE2 TYR A 48 5.652 6.999 1.531 1.00 0.00 C ATOM 748 CZ TYR A 48 6.708 6.254 2.010 1.00 0.00 C ATOM 749 OH TYR A 48 7.858 6.137 1.262 1.00 0.00 O ATOM 0 H TYR A 48 2.919 5.400 6.476 1.00 0.00 H new ATOM 0 HA TYR A 48 4.338 7.726 5.717 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.703 5.622 4.506 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.383 7.180 3.770 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.396 5.247 4.938 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.674 7.700 1.907 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.447 5.040 3.604 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.725 7.490 0.572 1.00 0.00 H new ATOM 0 HH TYR A 48 7.758 6.640 0.427 1.00 0.00 H new ATOM 759 N ILE A 49 1.063 8.054 6.091 1.00 0.00 N ATOM 760 CA ILE A 49 0.005 9.038 6.284 1.00 0.00 C ATOM 761 C ILE A 49 0.320 9.955 7.464 1.00 0.00 C ATOM 762 O ILE A 49 0.218 11.178 7.356 1.00 0.00 O ATOM 763 CB ILE A 49 -1.362 8.357 6.519 1.00 0.00 C ATOM 764 CG1 ILE A 49 -1.756 7.524 5.297 1.00 0.00 C ATOM 765 CG2 ILE A 49 -2.437 9.394 6.830 1.00 0.00 C ATOM 766 CD1 ILE A 49 -2.049 8.355 4.066 1.00 0.00 C ATOM 0 H ILE A 49 0.751 7.084 6.133 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.050 9.632 5.371 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.273 7.693 7.379 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.952 6.824 5.070 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.636 6.929 5.542 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.391 8.892 6.992 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.161 9.946 7.728 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.529 10.086 5.993 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.321 7.698 3.240 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.874 9.036 4.275 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.163 8.930 3.796 1.00 0.00 H new ATOM 778 N ASN A 50 0.699 9.358 8.589 1.00 0.00 N ATOM 779 CA ASN A 50 1.024 10.121 9.788 1.00 0.00 C ATOM 780 C ASN A 50 2.228 11.030 9.560 1.00 0.00 C ATOM 781 O ASN A 50 2.315 12.115 10.138 1.00 0.00 O ATOM 782 CB ASN A 50 1.304 9.174 10.957 1.00 0.00 C ATOM 783 CG ASN A 50 1.114 9.845 12.303 1.00 0.00 C ATOM 784 OD1 ASN A 50 0.051 10.394 12.592 1.00 0.00 O ATOM 785 ND2 ASN A 50 2.149 9.806 13.134 1.00 0.00 N ATOM 0 H ASN A 50 0.789 8.348 8.695 1.00 0.00 H new ATOM 0 HA ASN A 50 0.165 10.748 10.027 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.642 8.311 10.888 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.325 8.800 10.881 1.00 0.00 H new ATOM 0 HD21 ASN A 50 2.081 10.242 14.054 1.00 0.00 H new ATOM 0 HD22 ASN A 50 3.012 9.340 12.853 1.00 0.00 H new ATOM 792 N TYR A 51 3.160 10.582 8.725 1.00 0.00 N ATOM 793 CA TYR A 51 4.362 11.357 8.435 1.00 0.00 C ATOM 794 C TYR A 51 4.098 12.432 7.383 1.00 0.00 C ATOM 795 O TYR A 51 4.718 13.496 7.403 1.00 0.00 O ATOM 796 CB TYR A 51 5.484 10.432 7.960 1.00 0.00 C ATOM 797 CG TYR A 51 6.867 11.017 8.135 1.00 0.00 C ATOM 798 CD1 TYR A 51 7.437 11.808 7.145 1.00 0.00 C ATOM 799 CD2 TYR A 51 7.602 10.779 9.289 1.00 0.00 C ATOM 800 CE1 TYR A 51 8.700 12.346 7.301 1.00 0.00 C ATOM 801 CE2 TYR A 51 8.866 11.314 9.453 1.00 0.00 C ATOM 802 CZ TYR A 51 9.411 12.095 8.456 1.00 0.00 C ATOM 803 OH TYR A 51 10.669 12.630 8.615 1.00 0.00 O ATOM 0 H TYR A 51 3.107 9.688 8.238 1.00 0.00 H new ATOM 0 HA TYR A 51 4.665 11.854 9.357 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.425 9.492 8.508 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.329 10.197 6.907 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.884 12.006 6.239 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.179 10.166 10.071 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.128 12.960 6.523 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.424 11.121 10.357 1.00 0.00 H new ATOM 0 HH TYR A 51 11.032 12.359 9.484 1.00 0.00 H new ATOM 813 N TYR A 52 3.185 12.149 6.461 1.00 0.00 N ATOM 814 CA TYR A 52 2.854 13.093 5.399 1.00 0.00 C ATOM 815 C TYR A 52 1.996 14.239 5.923 1.00 0.00 C ATOM 816 O TYR A 52 2.178 15.391 5.532 1.00 0.00 O ATOM 817 CB TYR A 52 2.128 12.380 4.257 1.00 0.00 C ATOM 818 CG TYR A 52 3.032 12.003 3.104 1.00 0.00 C ATOM 819 CD1 TYR A 52 3.996 12.887 2.634 1.00 0.00 C ATOM 820 CD2 TYR A 52 2.922 10.763 2.486 1.00 0.00 C ATOM 821 CE1 TYR A 52 4.825 12.546 1.582 1.00 0.00 C ATOM 822 CE2 TYR A 52 3.748 10.415 1.433 1.00 0.00 C ATOM 823 CZ TYR A 52 4.696 11.310 0.985 1.00 0.00 C ATOM 824 OH TYR A 52 5.519 10.968 -0.064 1.00 0.00 O ATOM 0 H TYR A 52 2.661 11.275 6.427 1.00 0.00 H new ATOM 0 HA TYR A 52 3.789 13.510 5.024 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.655 11.478 4.646 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.331 13.024 3.887 1.00 0.00 H new ATOM 0 HD1 TYR A 52 4.099 13.857 3.099 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.180 10.060 2.834 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.570 13.244 1.229 1.00 0.00 H new ATOM 0 HE2 TYR A 52 3.651 9.447 0.964 1.00 0.00 H new ATOM 0 HH TYR A 52 5.194 11.390 -0.886 1.00 0.00 H new ATOM 834 N ARG A 53 1.056 13.918 6.806 1.00 0.00 N ATOM 835 CA ARG A 53 0.166 14.925 7.378 1.00 0.00 C ATOM 836 C ARG A 53 0.953 16.126 7.900 1.00 0.00 C ATOM 837 O ARG A 53 0.464 17.256 7.877 1.00 0.00 O ATOM 838 CB ARG A 53 -0.669 14.318 8.507 1.00 0.00 C ATOM 839 CG ARG A 53 0.164 13.740 9.641 1.00 0.00 C ATOM 840 CD ARG A 53 -0.398 14.124 11.000 1.00 0.00 C ATOM 841 NE ARG A 53 -1.656 13.437 11.286 1.00 0.00 N ATOM 842 CZ ARG A 53 -2.512 13.821 12.230 1.00 0.00 C ATOM 843 NH1 ARG A 53 -2.252 14.885 12.980 1.00 0.00 N ATOM 844 NH2 ARG A 53 -3.633 13.140 12.425 1.00 0.00 N ATOM 0 H ARG A 53 0.890 12.969 7.142 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.499 15.270 6.587 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.332 15.084 8.909 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.303 13.532 8.096 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.195 12.654 9.553 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.191 14.096 9.557 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.330 13.884 11.775 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.557 15.202 11.035 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.892 12.615 10.730 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.392 15.414 12.835 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.912 15.174 13.702 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.839 12.322 11.852 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.289 13.434 13.148 1.00 0.00 H new ATOM 858 N GLN A 54 2.165 15.874 8.382 1.00 0.00 N ATOM 859 CA GLN A 54 3.010 16.935 8.921 1.00 0.00 C ATOM 860 C GLN A 54 3.858 17.598 7.834 1.00 0.00 C ATOM 861 O GLN A 54 4.520 18.603 8.088 1.00 0.00 O ATOM 862 CB GLN A 54 3.918 16.375 10.019 1.00 0.00 C ATOM 863 CG GLN A 54 3.430 16.681 11.425 1.00 0.00 C ATOM 864 CD GLN A 54 2.965 15.442 12.166 1.00 0.00 C ATOM 865 OE1 GLN A 54 1.840 15.385 12.662 1.00 0.00 O ATOM 866 NE2 GLN A 54 3.834 14.439 12.245 1.00 0.00 N ATOM 0 H GLN A 54 2.585 14.945 8.411 1.00 0.00 H new ATOM 0 HA GLN A 54 2.353 17.697 9.340 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.997 15.295 9.898 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.921 16.784 9.894 1.00 0.00 H new ATOM 0 HG2 GLN A 54 4.233 17.156 11.988 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.610 17.397 11.373 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.757 14.529 11.819 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.578 13.580 12.731 1.00 0.00 H new ATOM 875 N GLN A 55 3.844 17.036 6.626 1.00 0.00 N ATOM 876 CA GLN A 55 4.623 17.589 5.523 1.00 0.00 C ATOM 877 C GLN A 55 3.770 18.497 4.635 1.00 0.00 C ATOM 878 O GLN A 55 4.187 18.871 3.538 1.00 0.00 O ATOM 879 CB GLN A 55 5.223 16.457 4.684 1.00 0.00 C ATOM 880 CG GLN A 55 6.726 16.303 4.852 1.00 0.00 C ATOM 881 CD GLN A 55 7.212 14.913 4.493 1.00 0.00 C ATOM 882 OE1 GLN A 55 6.800 13.924 5.097 1.00 0.00 O ATOM 883 NE2 GLN A 55 8.094 14.832 3.504 1.00 0.00 N ATOM 0 H GLN A 55 3.305 16.203 6.389 1.00 0.00 H new ATOM 0 HA GLN A 55 5.425 18.191 5.950 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.738 15.519 4.955 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.000 16.639 3.633 1.00 0.00 H new ATOM 0 HG2 GLN A 55 7.235 17.035 4.225 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.997 16.524 5.884 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.408 15.679 3.030 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.457 13.923 3.218 1.00 0.00 H new ATOM 892 N VAL A 56 2.580 18.849 5.110 1.00 0.00 N ATOM 893 CA VAL A 56 1.684 19.712 4.348 1.00 0.00 C ATOM 894 C VAL A 56 1.848 21.174 4.765 1.00 0.00 C ATOM 895 O VAL A 56 2.583 21.925 4.123 1.00 0.00 O ATOM 896 CB VAL A 56 0.212 19.275 4.505 1.00 0.00 C ATOM 897 CG1 VAL A 56 -0.691 20.094 3.595 1.00 0.00 C ATOM 898 CG2 VAL A 56 0.065 17.791 4.211 1.00 0.00 C ATOM 0 H VAL A 56 2.215 18.552 6.015 1.00 0.00 H new ATOM 0 HA VAL A 56 1.956 19.617 3.297 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.092 19.454 5.536 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.724 19.770 3.721 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.607 21.150 3.854 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.389 19.950 2.558 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.979 17.499 4.326 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.388 17.589 3.190 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.680 17.220 4.906 1.00 0.00 H new ATOM 908 N THR A 57 1.160 21.569 5.837 1.00 0.00 N ATOM 909 CA THR A 57 1.216 22.941 6.354 1.00 0.00 C ATOM 910 C THR A 57 0.134 23.822 5.730 1.00 0.00 C ATOM 911 O THR A 57 0.109 25.033 5.951 1.00 0.00 O ATOM 912 CB THR A 57 2.597 23.567 6.125 1.00 0.00 C ATOM 913 OG1 THR A 57 3.620 22.604 6.293 1.00 0.00 O ATOM 914 CG2 THR A 57 2.893 24.720 7.060 1.00 0.00 C ATOM 0 H THR A 57 0.550 20.951 6.371 1.00 0.00 H new ATOM 0 HA THR A 57 1.034 22.883 7.427 1.00 0.00 H new ATOM 0 HB THR A 57 2.576 23.945 5.103 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.851 22.216 5.423 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.885 25.117 6.845 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.149 25.504 6.918 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.858 24.370 8.092 1.00 0.00 H new ATOM 922 N GLY A 58 -0.767 23.211 4.965 1.00 0.00 N ATOM 923 CA GLY A 58 -1.844 23.965 4.345 1.00 0.00 C ATOM 924 C GLY A 58 -3.079 23.985 5.221 1.00 0.00 C ATOM 925 O GLY A 58 -3.065 23.436 6.322 1.00 0.00 O ATOM 0 H GLY A 58 -0.771 22.211 4.764 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.513 24.986 4.156 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.089 23.525 3.378 1.00 0.00 H new ATOM 929 N GLU A 59 -4.154 24.609 4.748 1.00 0.00 N ATOM 930 CA GLU A 59 -5.389 24.675 5.520 1.00 0.00 C ATOM 931 C GLU A 59 -5.980 23.280 5.709 1.00 0.00 C ATOM 932 O GLU A 59 -5.532 22.321 5.081 1.00 0.00 O ATOM 933 CB GLU A 59 -6.400 25.585 4.815 1.00 0.00 C ATOM 934 CG GLU A 59 -6.531 26.959 5.456 1.00 0.00 C ATOM 935 CD GLU A 59 -5.828 28.042 4.662 1.00 0.00 C ATOM 936 OE1 GLU A 59 -6.122 28.180 3.456 1.00 0.00 O ATOM 937 OE2 GLU A 59 -4.984 28.752 5.247 1.00 0.00 O ATOM 0 H GLU A 59 -4.195 25.073 3.840 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.162 25.089 6.502 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.103 25.706 3.773 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.376 25.099 4.814 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -7.587 27.212 5.552 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.118 26.926 6.464 1.00 0.00 H new ATOM 944 N PRO A 60 -6.996 23.143 6.580 1.00 0.00 N ATOM 945 CA PRO A 60 -7.639 21.853 6.842 1.00 0.00 C ATOM 946 C PRO A 60 -8.081 21.157 5.562 1.00 0.00 C ATOM 947 O PRO A 60 -8.136 19.928 5.505 1.00 0.00 O ATOM 948 CB PRO A 60 -8.853 22.208 7.716 1.00 0.00 C ATOM 949 CG PRO A 60 -8.980 23.694 7.643 1.00 0.00 C ATOM 950 CD PRO A 60 -7.600 24.219 7.377 1.00 0.00 C ATOM 0 HA PRO A 60 -6.955 21.154 7.324 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -9.756 21.719 7.350 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -8.706 21.877 8.744 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.668 23.987 6.850 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.377 24.097 8.575 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -7.623 25.163 6.832 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -7.049 24.398 8.300 1.00 0.00 H new ATOM 958 N GLN A 61 -8.374 21.938 4.528 1.00 0.00 N ATOM 959 CA GLN A 61 -8.782 21.373 3.250 1.00 0.00 C ATOM 960 C GLN A 61 -7.579 20.751 2.558 1.00 0.00 C ATOM 961 O GLN A 61 -7.661 19.658 2.003 1.00 0.00 O ATOM 962 CB GLN A 61 -9.406 22.451 2.361 1.00 0.00 C ATOM 963 CG GLN A 61 -8.441 23.563 1.986 1.00 0.00 C ATOM 964 CD GLN A 61 -9.085 24.624 1.115 1.00 0.00 C ATOM 965 OE1 GLN A 61 -9.520 24.347 -0.003 1.00 0.00 O ATOM 966 NE2 GLN A 61 -9.149 25.849 1.624 1.00 0.00 N ATOM 0 H GLN A 61 -8.337 22.957 4.550 1.00 0.00 H new ATOM 0 HA GLN A 61 -9.531 20.601 3.428 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.783 21.986 1.450 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -10.264 22.884 2.876 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -8.057 24.028 2.894 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.587 23.136 1.461 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -8.776 26.035 2.555 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -9.571 26.604 1.084 1.00 0.00 H new ATOM 975 N GLU A 62 -6.456 21.459 2.608 1.00 0.00 N ATOM 976 CA GLU A 62 -5.223 20.981 1.999 1.00 0.00 C ATOM 977 C GLU A 62 -4.761 19.697 2.677 1.00 0.00 C ATOM 978 O GLU A 62 -4.389 18.727 2.015 1.00 0.00 O ATOM 979 CB GLU A 62 -4.132 22.052 2.095 1.00 0.00 C ATOM 980 CG GLU A 62 -3.851 22.754 0.777 1.00 0.00 C ATOM 981 CD GLU A 62 -2.564 22.281 0.128 1.00 0.00 C ATOM 982 OE1 GLU A 62 -1.496 22.416 0.762 1.00 0.00 O ATOM 983 OE2 GLU A 62 -2.626 21.778 -1.014 1.00 0.00 O ATOM 0 H GLU A 62 -6.375 22.367 3.065 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.415 20.771 0.947 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.427 22.794 2.837 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.212 21.591 2.455 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.683 22.583 0.094 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.794 23.829 0.947 1.00 0.00 H new ATOM 990 N ARG A 63 -4.796 19.699 4.004 1.00 0.00 N ATOM 991 CA ARG A 63 -4.387 18.537 4.781 1.00 0.00 C ATOM 992 C ARG A 63 -5.371 17.390 4.597 1.00 0.00 C ATOM 993 O ARG A 63 -4.975 16.258 4.319 1.00 0.00 O ATOM 994 CB ARG A 63 -4.277 18.900 6.264 1.00 0.00 C ATOM 995 CG ARG A 63 -3.421 17.932 7.065 1.00 0.00 C ATOM 996 CD ARG A 63 -3.003 18.531 8.398 1.00 0.00 C ATOM 997 NE ARG A 63 -1.752 19.278 8.295 1.00 0.00 N ATOM 998 CZ ARG A 63 -0.969 19.561 9.334 1.00 0.00 C ATOM 999 NH1 ARG A 63 -1.304 19.164 10.556 1.00 0.00 N ATOM 1000 NH2 ARG A 63 0.152 20.244 9.151 1.00 0.00 N ATOM 0 H ARG A 63 -5.104 20.494 4.564 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.410 18.215 4.422 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -3.858 19.902 6.354 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.277 18.932 6.697 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.976 17.010 7.237 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.534 17.667 6.490 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.790 19.191 8.761 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.890 17.735 9.134 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.461 19.602 7.373 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.166 18.639 10.703 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.699 19.384 11.347 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.414 20.552 8.215 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.752 20.461 9.946 1.00 0.00 H new ATOM 1014 N ASP A 64 -6.657 17.686 4.758 1.00 0.00 N ATOM 1015 CA ASP A 64 -7.698 16.675 4.614 1.00 0.00 C ATOM 1016 C ASP A 64 -7.722 16.096 3.203 1.00 0.00 C ATOM 1017 O ASP A 64 -7.697 14.879 3.020 1.00 0.00 O ATOM 1018 CB ASP A 64 -9.065 17.271 4.954 1.00 0.00 C ATOM 1019 CG ASP A 64 -10.117 16.206 5.197 1.00 0.00 C ATOM 1020 OD1 ASP A 64 -10.189 15.689 6.331 1.00 0.00 O ATOM 1021 OD2 ASP A 64 -10.869 15.888 4.251 1.00 0.00 O ATOM 0 H ASP A 64 -7.003 18.618 4.988 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.473 15.866 5.309 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.974 17.897 5.842 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -9.389 17.918 4.139 1.00 0.00 H new ATOM 1026 N LYS A 65 -7.783 16.974 2.211 1.00 0.00 N ATOM 1027 CA LYS A 65 -7.824 16.546 0.815 1.00 0.00 C ATOM 1028 C LYS A 65 -6.624 15.676 0.471 1.00 0.00 C ATOM 1029 O LYS A 65 -6.773 14.608 -0.122 1.00 0.00 O ATOM 1030 CB LYS A 65 -7.884 17.754 -0.124 1.00 0.00 C ATOM 1031 CG LYS A 65 -8.557 17.457 -1.456 1.00 0.00 C ATOM 1032 CD LYS A 65 -7.592 16.820 -2.442 1.00 0.00 C ATOM 1033 CE LYS A 65 -6.842 17.870 -3.246 1.00 0.00 C ATOM 1034 NZ LYS A 65 -5.438 18.030 -2.777 1.00 0.00 N ATOM 0 H LYS A 65 -7.805 17.985 2.344 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.728 15.953 0.680 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -8.420 18.563 0.372 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.871 18.110 -0.310 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.405 16.792 -1.295 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.952 18.381 -1.878 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.879 16.195 -1.903 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.141 16.166 -3.119 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.843 17.590 -4.299 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.361 18.825 -3.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.895 18.567 -3.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.431 18.542 -1.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.006 17.093 -2.648 1.00 0.00 H new ATOM 1048 N ALA A 66 -5.437 16.124 0.858 1.00 0.00 N ATOM 1049 CA ALA A 66 -4.221 15.363 0.599 1.00 0.00 C ATOM 1050 C ALA A 66 -4.264 14.050 1.368 1.00 0.00 C ATOM 1051 O ALA A 66 -4.063 12.973 0.810 1.00 0.00 O ATOM 1052 CB ALA A 66 -2.994 16.173 0.990 1.00 0.00 C ATOM 0 H ALA A 66 -5.290 17.005 1.350 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.158 15.145 -0.467 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.095 15.590 0.790 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.966 17.095 0.409 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.041 16.415 2.052 1.00 0.00 H new ATOM 1058 N LEU A 67 -4.537 14.166 2.658 1.00 0.00 N ATOM 1059 CA LEU A 67 -4.622 13.005 3.535 1.00 0.00 C ATOM 1060 C LEU A 67 -5.619 11.986 2.987 1.00 0.00 C ATOM 1061 O LEU A 67 -5.435 10.777 3.140 1.00 0.00 O ATOM 1062 CB LEU A 67 -5.026 13.425 4.950 1.00 0.00 C ATOM 1063 CG LEU A 67 -3.870 13.840 5.861 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -4.398 14.449 7.150 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -2.975 12.647 6.161 1.00 0.00 C ATOM 0 H LEU A 67 -4.705 15.057 3.125 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.636 12.541 3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.728 14.256 4.879 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.558 12.598 5.419 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.277 14.594 5.344 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.561 14.738 7.785 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.998 15.329 6.918 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.014 13.717 7.672 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.157 12.960 6.810 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.557 11.871 6.658 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.568 12.254 5.229 1.00 0.00 H new ATOM 1077 N GLN A 68 -6.674 12.480 2.345 1.00 0.00 N ATOM 1078 CA GLN A 68 -7.694 11.608 1.776 1.00 0.00 C ATOM 1079 C GLN A 68 -7.168 10.897 0.538 1.00 0.00 C ATOM 1080 O GLN A 68 -7.271 9.676 0.418 1.00 0.00 O ATOM 1081 CB GLN A 68 -8.948 12.417 1.432 1.00 0.00 C ATOM 1082 CG GLN A 68 -10.041 11.605 0.755 1.00 0.00 C ATOM 1083 CD GLN A 68 -10.926 10.875 1.746 1.00 0.00 C ATOM 1084 OE1 GLN A 68 -10.624 9.754 2.157 1.00 0.00 O ATOM 1085 NE2 GLN A 68 -12.025 11.509 2.138 1.00 0.00 N ATOM 0 H GLN A 68 -6.844 13.476 2.207 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.954 10.853 2.518 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -9.348 12.854 2.347 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -8.667 13.244 0.780 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.655 12.267 0.145 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.585 10.881 0.080 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.236 12.437 1.772 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.658 11.068 2.805 1.00 0.00 H new ATOM 1094 N GLU A 69 -6.597 11.665 -0.377 1.00 0.00 N ATOM 1095 CA GLU A 69 -6.047 11.099 -1.601 1.00 0.00 C ATOM 1096 C GLU A 69 -4.874 10.184 -1.278 1.00 0.00 C ATOM 1097 O GLU A 69 -4.615 9.213 -1.988 1.00 0.00 O ATOM 1098 CB GLU A 69 -5.606 12.206 -2.560 1.00 0.00 C ATOM 1099 CG GLU A 69 -4.648 13.209 -1.940 1.00 0.00 C ATOM 1100 CD GLU A 69 -4.377 14.395 -2.845 1.00 0.00 C ATOM 1101 OE1 GLU A 69 -5.143 14.593 -3.812 1.00 0.00 O ATOM 1102 OE2 GLU A 69 -3.400 15.128 -2.585 1.00 0.00 O ATOM 0 H GLU A 69 -6.502 12.677 -0.297 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.827 10.514 -2.088 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.130 11.752 -3.429 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.488 12.735 -2.920 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.061 13.564 -0.996 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.706 12.711 -1.709 1.00 0.00 H new ATOM 1109 N LEU A 70 -4.174 10.495 -0.190 1.00 0.00 N ATOM 1110 CA LEU A 70 -3.039 9.692 0.237 1.00 0.00 C ATOM 1111 C LEU A 70 -3.509 8.318 0.698 1.00 0.00 C ATOM 1112 O LEU A 70 -2.982 7.293 0.265 1.00 0.00 O ATOM 1113 CB LEU A 70 -2.284 10.396 1.368 1.00 0.00 C ATOM 1114 CG LEU A 70 -0.759 10.265 1.322 1.00 0.00 C ATOM 1115 CD1 LEU A 70 -0.346 8.822 1.070 1.00 0.00 C ATOM 1116 CD2 LEU A 70 -0.178 11.182 0.255 1.00 0.00 C ATOM 0 H LEU A 70 -4.375 11.296 0.409 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.364 9.567 -0.610 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.541 11.455 1.349 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.637 9.999 2.320 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.362 10.566 2.291 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.742 8.754 1.042 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.728 8.189 1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.755 8.488 0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.907 11.076 0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.586 10.911 -0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.438 12.216 0.483 1.00 0.00 H new ATOM 1128 N ARG A 71 -4.508 8.304 1.578 1.00 0.00 N ATOM 1129 CA ARG A 71 -5.049 7.051 2.091 1.00 0.00 C ATOM 1130 C ARG A 71 -5.657 6.222 0.963 1.00 0.00 C ATOM 1131 O ARG A 71 -5.440 5.011 0.880 1.00 0.00 O ATOM 1132 CB ARG A 71 -6.107 7.328 3.160 1.00 0.00 C ATOM 1133 CG ARG A 71 -6.452 6.111 4.003 1.00 0.00 C ATOM 1134 CD ARG A 71 -5.998 6.283 5.445 1.00 0.00 C ATOM 1135 NE ARG A 71 -6.368 5.140 6.276 1.00 0.00 N ATOM 1136 CZ ARG A 71 -6.410 5.174 7.605 1.00 0.00 C ATOM 1137 NH1 ARG A 71 -6.108 6.289 8.258 1.00 0.00 N ATOM 1138 NH2 ARG A 71 -6.756 4.090 8.285 1.00 0.00 N ATOM 0 H ARG A 71 -4.956 9.142 1.948 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.231 6.485 2.537 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -5.751 8.124 3.814 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.013 7.694 2.677 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.529 5.943 3.977 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.981 5.226 3.576 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -4.916 6.415 5.471 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.440 7.190 5.858 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.608 4.265 5.810 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.842 7.127 7.741 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.142 6.308 9.277 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.990 3.230 7.789 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.788 4.116 9.304 1.00 0.00 H new ATOM 1152 N GLN A 72 -6.416 6.882 0.094 1.00 0.00 N ATOM 1153 CA GLN A 72 -7.052 6.207 -1.029 1.00 0.00 C ATOM 1154 C GLN A 72 -6.005 5.630 -1.974 1.00 0.00 C ATOM 1155 O GLN A 72 -6.140 4.505 -2.456 1.00 0.00 O ATOM 1156 CB GLN A 72 -7.960 7.180 -1.785 1.00 0.00 C ATOM 1157 CG GLN A 72 -8.620 6.572 -3.012 1.00 0.00 C ATOM 1158 CD GLN A 72 -9.818 7.372 -3.487 1.00 0.00 C ATOM 1159 OE1 GLN A 72 -10.850 7.422 -2.817 1.00 0.00 O ATOM 1160 NE2 GLN A 72 -9.686 8.003 -4.647 1.00 0.00 N ATOM 0 H GLN A 72 -6.605 7.883 0.147 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.655 5.387 -0.639 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.734 7.541 -1.108 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -7.374 8.047 -2.090 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.889 6.506 -3.818 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -8.935 5.554 -2.783 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -8.812 7.934 -5.169 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -10.458 8.557 -5.017 1.00 0.00 H new ATOM 1169 N GLU A 73 -4.961 6.409 -2.235 1.00 0.00 N ATOM 1170 CA GLU A 73 -3.889 5.979 -3.124 1.00 0.00 C ATOM 1171 C GLU A 73 -3.172 4.754 -2.565 1.00 0.00 C ATOM 1172 O GLU A 73 -2.855 3.819 -3.300 1.00 0.00 O ATOM 1173 CB GLU A 73 -2.897 7.121 -3.344 1.00 0.00 C ATOM 1174 CG GLU A 73 -3.355 8.122 -4.393 1.00 0.00 C ATOM 1175 CD GLU A 73 -2.780 9.507 -4.173 1.00 0.00 C ATOM 1176 OE1 GLU A 73 -2.421 9.825 -3.019 1.00 0.00 O ATOM 1177 OE2 GLU A 73 -2.686 10.273 -5.154 1.00 0.00 O ATOM 0 H GLU A 73 -4.835 7.342 -1.843 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.330 5.704 -4.082 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.738 7.642 -2.400 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.935 6.705 -3.644 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -3.064 7.765 -5.381 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.443 8.180 -4.383 1.00 0.00 H new ATOM 1184 N LEU A 74 -2.915 4.759 -1.261 1.00 0.00 N ATOM 1185 CA LEU A 74 -2.238 3.640 -0.616 1.00 0.00 C ATOM 1186 C LEU A 74 -3.087 2.383 -0.685 1.00 0.00 C ATOM 1187 O LEU A 74 -2.565 1.293 -0.873 1.00 0.00 O ATOM 1188 CB LEU A 74 -1.904 3.981 0.837 1.00 0.00 C ATOM 1189 CG LEU A 74 -0.804 5.030 1.014 1.00 0.00 C ATOM 1190 CD1 LEU A 74 -0.986 5.781 2.323 1.00 0.00 C ATOM 1191 CD2 LEU A 74 0.568 4.376 0.959 1.00 0.00 C ATOM 0 H LEU A 74 -3.164 5.523 -0.632 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.307 3.452 -1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.809 4.338 1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.601 3.068 1.349 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.877 5.747 0.196 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.194 6.522 2.430 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.954 6.282 2.324 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.940 5.078 3.155 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.339 5.136 1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.651 3.637 1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.699 3.885 -0.005 1.00 0.00 H new ATOM 1203 N ASN A 75 -4.396 2.533 -0.534 1.00 0.00 N ATOM 1204 CA ASN A 75 -5.290 1.385 -0.596 1.00 0.00 C ATOM 1205 C ASN A 75 -5.267 0.773 -1.995 1.00 0.00 C ATOM 1206 O ASN A 75 -5.115 -0.436 -2.154 1.00 0.00 O ATOM 1207 CB ASN A 75 -6.716 1.796 -0.225 1.00 0.00 C ATOM 1208 CG ASN A 75 -7.026 1.547 1.239 1.00 0.00 C ATOM 1209 OD1 ASN A 75 -7.285 0.415 1.648 1.00 0.00 O ATOM 1210 ND2 ASN A 75 -7.001 2.609 2.037 1.00 0.00 N ATOM 0 H ASN A 75 -4.858 3.427 -0.370 1.00 0.00 H new ATOM 0 HA ASN A 75 -4.945 0.640 0.121 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.857 2.853 -0.449 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.423 1.243 -0.843 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.201 2.504 3.032 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.781 3.529 1.655 1.00 0.00 H new ATOM 1217 N THR A 76 -5.428 1.626 -2.998 1.00 0.00 N ATOM 1218 CA THR A 76 -5.436 1.182 -4.391 1.00 0.00 C ATOM 1219 C THR A 76 -4.117 0.511 -4.773 1.00 0.00 C ATOM 1220 O THR A 76 -4.106 -0.439 -5.553 1.00 0.00 O ATOM 1221 CB THR A 76 -5.731 2.349 -5.336 1.00 0.00 C ATOM 1222 OG1 THR A 76 -5.656 1.931 -6.687 1.00 0.00 O ATOM 1223 CG2 THR A 76 -4.785 3.514 -5.163 1.00 0.00 C ATOM 0 H THR A 76 -5.555 2.631 -2.876 1.00 0.00 H new ATOM 0 HA THR A 76 -6.231 0.444 -4.491 1.00 0.00 H new ATOM 0 HB THR A 76 -6.738 2.680 -5.080 1.00 0.00 H new ATOM 0 HG1 THR A 76 -5.849 2.690 -7.276 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.051 4.306 -5.863 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.856 3.892 -4.143 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.764 3.186 -5.357 1.00 0.00 H new ATOM 1231 N LEU A 77 -3.011 0.992 -4.212 1.00 0.00 N ATOM 1232 CA LEU A 77 -1.700 0.407 -4.494 1.00 0.00 C ATOM 1233 C LEU A 77 -1.513 -0.861 -3.664 1.00 0.00 C ATOM 1234 O LEU A 77 -1.036 -1.885 -4.152 1.00 0.00 O ATOM 1235 CB LEU A 77 -0.583 1.409 -4.173 1.00 0.00 C ATOM 1236 CG LEU A 77 -0.497 2.633 -5.094 1.00 0.00 C ATOM 1237 CD1 LEU A 77 0.847 3.323 -4.930 1.00 0.00 C ATOM 1238 CD2 LEU A 77 -0.715 2.231 -6.547 1.00 0.00 C ATOM 0 H LEU A 77 -2.994 1.779 -3.564 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.649 0.158 -5.554 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.717 1.758 -3.149 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.371 0.884 -4.209 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.285 3.332 -4.812 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.894 4.190 -5.589 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.966 3.647 -3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.647 2.628 -5.187 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.650 3.114 -7.183 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.049 1.513 -6.844 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.700 1.778 -6.655 1.00 0.00 H new ATOM 1250 N ALA A 78 -1.908 -0.763 -2.404 1.00 0.00 N ATOM 1251 CA ALA A 78 -1.813 -1.878 -1.467 1.00 0.00 C ATOM 1252 C ALA A 78 -2.793 -2.995 -1.830 1.00 0.00 C ATOM 1253 O ALA A 78 -2.581 -4.156 -1.482 1.00 0.00 O ATOM 1254 CB ALA A 78 -2.060 -1.398 -0.045 1.00 0.00 C ATOM 0 H ALA A 78 -2.302 0.087 -2.001 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.804 -2.284 -1.532 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.986 -2.241 0.642 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.315 -0.647 0.220 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.056 -0.961 0.024 1.00 0.00 H new ATOM 1260 N ASN A 79 -3.890 -2.627 -2.489 1.00 0.00 N ATOM 1261 CA ASN A 79 -4.926 -3.595 -2.845 1.00 0.00 C ATOM 1262 C ASN A 79 -4.371 -4.725 -3.714 1.00 0.00 C ATOM 1263 O ASN A 79 -4.485 -5.896 -3.350 1.00 0.00 O ATOM 1264 CB ASN A 79 -6.075 -2.896 -3.579 1.00 0.00 C ATOM 1265 CG ASN A 79 -7.405 -3.071 -2.872 1.00 0.00 C ATOM 1266 OD1 ASN A 79 -8.052 -4.112 -2.989 1.00 0.00 O ATOM 1267 ND2 ASN A 79 -7.820 -2.049 -2.132 1.00 0.00 N ATOM 0 H ASN A 79 -4.084 -1.671 -2.786 1.00 0.00 H new ATOM 0 HA ASN A 79 -5.297 -4.033 -1.918 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -5.852 -1.833 -3.669 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.150 -3.293 -4.592 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -8.707 -2.108 -1.632 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -7.251 -1.205 -2.063 1.00 0.00 H new ATOM 1274 N PRO A 80 -3.761 -4.411 -4.868 1.00 0.00 N ATOM 1275 CA PRO A 80 -3.202 -5.440 -5.748 1.00 0.00 C ATOM 1276 C PRO A 80 -2.137 -6.276 -5.043 1.00 0.00 C ATOM 1277 O PRO A 80 -1.978 -7.462 -5.326 1.00 0.00 O ATOM 1278 CB PRO A 80 -2.585 -4.644 -6.906 1.00 0.00 C ATOM 1279 CG PRO A 80 -2.454 -3.247 -6.399 1.00 0.00 C ATOM 1280 CD PRO A 80 -3.561 -3.057 -5.402 1.00 0.00 C ATOM 0 HA PRO A 80 -3.961 -6.152 -6.073 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -1.615 -5.052 -7.190 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -3.219 -4.683 -7.792 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -1.481 -3.091 -5.934 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.537 -2.528 -7.214 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.282 -2.352 -4.619 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.466 -2.671 -5.872 1.00 0.00 H new ATOM 1288 N PHE A 81 -1.419 -5.648 -4.117 1.00 0.00 N ATOM 1289 CA PHE A 81 -0.374 -6.327 -3.358 1.00 0.00 C ATOM 1290 C PHE A 81 -0.977 -7.259 -2.318 1.00 0.00 C ATOM 1291 O PHE A 81 -0.615 -8.431 -2.220 1.00 0.00 O ATOM 1292 CB PHE A 81 0.516 -5.293 -2.662 1.00 0.00 C ATOM 1293 CG PHE A 81 1.629 -5.880 -1.827 1.00 0.00 C ATOM 1294 CD1 PHE A 81 1.954 -7.228 -1.896 1.00 0.00 C ATOM 1295 CD2 PHE A 81 2.357 -5.066 -0.976 1.00 0.00 C ATOM 1296 CE1 PHE A 81 2.981 -7.747 -1.133 1.00 0.00 C ATOM 1297 CE2 PHE A 81 3.384 -5.581 -0.210 1.00 0.00 C ATOM 1298 CZ PHE A 81 3.698 -6.923 -0.291 1.00 0.00 C ATOM 0 H PHE A 81 -1.543 -4.665 -3.873 1.00 0.00 H new ATOM 0 HA PHE A 81 0.223 -6.919 -4.052 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.953 -4.641 -3.419 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -0.108 -4.667 -2.024 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.397 -7.878 -2.554 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.119 -4.015 -0.910 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.223 -8.798 -1.195 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.941 -4.935 0.452 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.504 -7.327 0.304 1.00 0.00 H new ATOM 1308 N LEU A 82 -1.897 -6.717 -1.539 1.00 0.00 N ATOM 1309 CA LEU A 82 -2.556 -7.476 -0.491 1.00 0.00 C ATOM 1310 C LEU A 82 -3.470 -8.547 -1.076 1.00 0.00 C ATOM 1311 O LEU A 82 -3.524 -9.670 -0.572 1.00 0.00 O ATOM 1312 CB LEU A 82 -3.345 -6.529 0.413 1.00 0.00 C ATOM 1313 CG LEU A 82 -3.832 -7.138 1.726 1.00 0.00 C ATOM 1314 CD1 LEU A 82 -4.158 -6.047 2.733 1.00 0.00 C ATOM 1315 CD2 LEU A 82 -5.043 -8.020 1.475 1.00 0.00 C ATOM 0 H LEU A 82 -2.206 -5.748 -1.614 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.794 -7.983 0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.720 -5.666 0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.209 -6.160 -0.140 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.035 -7.754 2.143 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.503 -6.501 3.662 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.265 -5.454 2.929 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.940 -5.403 2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.382 -8.449 2.418 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.844 -7.423 1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.773 -8.822 0.788 1.00 0.00 H new ATOM 1327 N ALA A 83 -4.182 -8.201 -2.143 1.00 0.00 N ATOM 1328 CA ALA A 83 -5.084 -9.145 -2.786 1.00 0.00 C ATOM 1329 C ALA A 83 -4.305 -10.226 -3.522 1.00 0.00 C ATOM 1330 O ALA A 83 -4.703 -11.391 -3.538 1.00 0.00 O ATOM 1331 CB ALA A 83 -6.021 -8.420 -3.740 1.00 0.00 C ATOM 0 H ALA A 83 -4.152 -7.279 -2.578 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.681 -9.626 -2.011 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.689 -9.141 -4.212 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.610 -7.689 -3.186 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.437 -7.910 -4.506 1.00 0.00 H new ATOM 1337 N LYS A 84 -3.189 -9.834 -4.126 1.00 0.00 N ATOM 1338 CA LYS A 84 -2.355 -10.777 -4.858 1.00 0.00 C ATOM 1339 C LYS A 84 -1.666 -11.742 -3.900 1.00 0.00 C ATOM 1340 O LYS A 84 -1.553 -12.935 -4.183 1.00 0.00 O ATOM 1341 CB LYS A 84 -1.308 -10.033 -5.690 1.00 0.00 C ATOM 1342 CG LYS A 84 -0.363 -10.954 -6.447 1.00 0.00 C ATOM 1343 CD LYS A 84 0.344 -10.221 -7.577 1.00 0.00 C ATOM 1344 CE LYS A 84 -0.588 -9.976 -8.754 1.00 0.00 C ATOM 1345 NZ LYS A 84 -0.645 -8.534 -9.124 1.00 0.00 N ATOM 0 H LYS A 84 -2.843 -8.875 -4.123 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.998 -11.348 -5.528 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.817 -9.384 -6.402 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.724 -9.389 -5.032 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.376 -11.363 -5.759 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.922 -11.797 -6.853 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.727 -9.268 -7.210 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.204 -10.804 -7.908 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.251 -10.558 -9.612 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.589 -10.327 -8.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.290 -8.408 -9.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.991 -7.981 -8.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.306 -8.205 -9.387 1.00 0.00 H new ATOM 1359 N TYR A 85 -1.207 -11.224 -2.762 1.00 0.00 N ATOM 1360 CA TYR A 85 -0.531 -12.060 -1.783 1.00 0.00 C ATOM 1361 C TYR A 85 -1.505 -13.037 -1.137 1.00 0.00 C ATOM 1362 O TYR A 85 -1.171 -14.201 -0.913 1.00 0.00 O ATOM 1363 CB TYR A 85 0.160 -11.208 -0.721 1.00 0.00 C ATOM 1364 CG TYR A 85 1.538 -11.716 -0.370 1.00 0.00 C ATOM 1365 CD1 TYR A 85 2.454 -12.022 -1.370 1.00 0.00 C ATOM 1366 CD2 TYR A 85 1.924 -11.897 0.951 1.00 0.00 C ATOM 1367 CE1 TYR A 85 3.714 -12.494 -1.064 1.00 0.00 C ATOM 1368 CE2 TYR A 85 3.185 -12.368 1.266 1.00 0.00 C ATOM 1369 CZ TYR A 85 4.076 -12.664 0.254 1.00 0.00 C ATOM 1370 OH TYR A 85 5.332 -13.131 0.561 1.00 0.00 O ATOM 0 H TYR A 85 -1.291 -10.242 -2.501 1.00 0.00 H new ATOM 0 HA TYR A 85 0.233 -12.636 -2.306 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.236 -10.181 -1.078 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.455 -11.187 0.179 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.175 -11.888 -2.405 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.229 -11.666 1.745 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.412 -12.729 -1.854 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.472 -12.504 2.298 1.00 0.00 H new ATOM 0 HH TYR A 85 5.859 -12.410 0.964 1.00 0.00 H new ATOM 1380 N ARG A 86 -2.718 -12.572 -0.860 1.00 0.00 N ATOM 1381 CA ARG A 86 -3.731 -13.434 -0.264 1.00 0.00 C ATOM 1382 C ARG A 86 -4.078 -14.556 -1.229 1.00 0.00 C ATOM 1383 O ARG A 86 -4.022 -15.733 -0.880 1.00 0.00 O ATOM 1384 CB ARG A 86 -4.988 -12.633 0.080 1.00 0.00 C ATOM 1385 CG ARG A 86 -4.808 -11.697 1.262 1.00 0.00 C ATOM 1386 CD ARG A 86 -5.679 -12.107 2.439 1.00 0.00 C ATOM 1387 NE ARG A 86 -7.091 -11.825 2.198 1.00 0.00 N ATOM 1388 CZ ARG A 86 -8.062 -12.105 3.066 1.00 0.00 C ATOM 1389 NH1 ARG A 86 -7.776 -12.672 4.232 1.00 0.00 N ATOM 1390 NH2 ARG A 86 -9.321 -11.819 2.768 1.00 0.00 N ATOM 0 H ARG A 86 -3.021 -11.614 -1.036 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.332 -13.858 0.657 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.287 -12.051 -0.791 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.802 -13.325 0.296 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.762 -11.693 1.567 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.057 -10.679 0.962 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.550 -13.172 2.632 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.351 -11.578 3.334 1.00 0.00 H new ATOM 0 HE ARG A 86 -7.349 -11.388 1.313 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.809 -12.895 4.467 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -8.523 -12.884 4.893 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -9.547 -11.384 1.873 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -10.064 -12.034 3.433 1.00 0.00 H new ATOM 1404 N ASP A 87 -4.424 -14.173 -2.451 1.00 0.00 N ATOM 1405 CA ASP A 87 -4.768 -15.137 -3.487 1.00 0.00 C ATOM 1406 C ASP A 87 -3.628 -16.132 -3.682 1.00 0.00 C ATOM 1407 O ASP A 87 -3.855 -17.304 -3.978 1.00 0.00 O ATOM 1408 CB ASP A 87 -5.070 -14.423 -4.805 1.00 0.00 C ATOM 1409 CG ASP A 87 -6.186 -15.092 -5.583 1.00 0.00 C ATOM 1410 OD1 ASP A 87 -5.892 -16.030 -6.354 1.00 0.00 O ATOM 1411 OD2 ASP A 87 -7.353 -14.679 -5.422 1.00 0.00 O ATOM 0 H ASP A 87 -4.474 -13.199 -2.749 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.660 -15.678 -3.171 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.344 -13.388 -4.600 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.168 -14.399 -5.417 1.00 0.00 H new ATOM 1416 N PHE A 88 -2.399 -15.655 -3.505 1.00 0.00 N ATOM 1417 CA PHE A 88 -1.221 -16.501 -3.656 1.00 0.00 C ATOM 1418 C PHE A 88 -1.209 -17.611 -2.606 1.00 0.00 C ATOM 1419 O PHE A 88 -1.062 -18.789 -2.931 1.00 0.00 O ATOM 1420 CB PHE A 88 0.048 -15.649 -3.522 1.00 0.00 C ATOM 1421 CG PHE A 88 1.240 -16.188 -4.265 1.00 0.00 C ATOM 1422 CD1 PHE A 88 1.468 -17.553 -4.341 1.00 0.00 C ATOM 1423 CD2 PHE A 88 2.132 -15.329 -4.889 1.00 0.00 C ATOM 1424 CE1 PHE A 88 2.559 -18.049 -5.024 1.00 0.00 C ATOM 1425 CE2 PHE A 88 3.226 -15.822 -5.572 1.00 0.00 C ATOM 1426 CZ PHE A 88 3.439 -17.184 -5.640 1.00 0.00 C ATOM 0 H PHE A 88 -2.194 -14.687 -3.257 1.00 0.00 H new ATOM 0 HA PHE A 88 -1.251 -16.961 -4.644 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -0.165 -14.643 -3.883 1.00 0.00 H new ATOM 0 HB3 PHE A 88 0.303 -15.562 -2.466 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.784 -18.236 -3.860 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.969 -14.262 -4.840 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.724 -19.115 -5.076 1.00 0.00 H new ATOM 0 HE2 PHE A 88 3.914 -15.143 -6.053 1.00 0.00 H new ATOM 0 HZ PHE A 88 4.293 -17.572 -6.175 1.00 0.00 H new ATOM 1436 N LEU A 89 -1.364 -17.226 -1.344 1.00 0.00 N ATOM 1437 CA LEU A 89 -1.366 -18.183 -0.242 1.00 0.00 C ATOM 1438 C LEU A 89 -2.665 -18.983 -0.178 1.00 0.00 C ATOM 1439 O LEU A 89 -2.683 -20.115 0.308 1.00 0.00 O ATOM 1440 CB LEU A 89 -1.128 -17.459 1.086 1.00 0.00 C ATOM 1441 CG LEU A 89 0.069 -16.502 1.105 1.00 0.00 C ATOM 1442 CD1 LEU A 89 0.554 -16.287 2.529 1.00 0.00 C ATOM 1443 CD2 LEU A 89 1.203 -17.030 0.237 1.00 0.00 C ATOM 0 H LEU A 89 -1.490 -16.255 -1.058 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.555 -18.889 -0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.026 -16.896 1.340 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.988 -18.205 1.868 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.257 -15.546 0.696 1.00 0.00 H new ATOM 0 HD11 LEU A 89 1.404 -15.605 2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.251 -15.860 3.127 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.857 -17.242 2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.040 -16.332 0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.526 -18.001 0.612 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.856 -17.135 -0.791 1.00 0.00 H new ATOM 1455 N LYS A 90 -3.754 -18.390 -0.658 1.00 0.00 N ATOM 1456 CA LYS A 90 -5.056 -19.052 -0.641 1.00 0.00 C ATOM 1457 C LYS A 90 -5.267 -19.907 -1.889 1.00 0.00 C ATOM 1458 O LYS A 90 -6.186 -20.724 -1.943 1.00 0.00 O ATOM 1459 CB LYS A 90 -6.176 -18.015 -0.526 1.00 0.00 C ATOM 1460 CG LYS A 90 -6.677 -17.814 0.895 1.00 0.00 C ATOM 1461 CD LYS A 90 -5.850 -16.774 1.636 1.00 0.00 C ATOM 1462 CE LYS A 90 -6.731 -15.823 2.430 1.00 0.00 C ATOM 1463 NZ LYS A 90 -7.633 -15.031 1.549 1.00 0.00 N ATOM 0 H LYS A 90 -3.762 -17.454 -1.063 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.081 -19.710 0.228 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -5.818 -17.061 -0.914 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.010 -18.323 -1.156 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -7.721 -17.502 0.873 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.639 -18.761 1.433 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -5.154 -17.274 2.309 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -5.252 -16.207 0.922 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -7.328 -16.392 3.143 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -6.103 -15.146 3.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.278 -14.056 1.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -7.661 -15.462 0.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.591 -15.021 1.953 1.00 0.00 H new ATOM 1477 N SER A 91 -4.413 -19.716 -2.890 1.00 0.00 N ATOM 1478 CA SER A 91 -4.516 -20.476 -4.130 1.00 0.00 C ATOM 1479 C SER A 91 -3.347 -21.440 -4.284 1.00 0.00 C ATOM 1480 O SER A 91 -3.540 -22.632 -4.522 1.00 0.00 O ATOM 1481 CB SER A 91 -4.571 -19.531 -5.332 1.00 0.00 C ATOM 1482 OG SER A 91 -4.881 -20.237 -6.520 1.00 0.00 O ATOM 0 H SER A 91 -3.646 -19.045 -2.867 1.00 0.00 H new ATOM 0 HA SER A 91 -5.437 -21.057 -4.088 1.00 0.00 H new ATOM 0 HB2 SER A 91 -5.320 -18.759 -5.158 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.612 -19.025 -5.445 1.00 0.00 H new ATOM 0 HG SER A 91 -4.912 -19.611 -7.274 1.00 0.00 H new