USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 602 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 79 GLN : amide:sc= -3.66! C(o=-3!,f=-11!) USER MOD Set 1.2: A 83 THR OG1 : rot 108:sc= 0.678 USER MOD Single : A 8 TYR OH : rot 19:sc= 1.43 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0108 USER MOD Single : A 13 ASN : amide:sc= -1.72! C(o=-1.7!,f=-7.6!) USER MOD Single : A 17 SER OG : rot -173:sc= -1.14! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.195 K(o=-0.2,f=-2.6!) USER MOD Single : A 44 HIS : no HD1:sc= -0.201 X(o=-0.2,f=-0.0084) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0428 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.765 X(o=-0.76,f=-1.2) USER MOD Single : A 56 HIS : no HD1:sc= -0.145 X(o=-0.15,f=-0.015) USER MOD Single : A 59 TYR OH : rot 100:sc= -0.255 USER MOD Single : A 60 GLN : amide:sc= -0.76 K(o=-0.76,f=-2!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -2.4 X(o=-2.4,f=-2.5) USER MOD Single : A 73 THR OG1 : rot 60:sc= -6.33! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 8 13.275 -3.185 18.801 1.00 0.00 N ATOM 2 CA TYR A 8 12.135 -3.082 17.852 1.00 0.00 C ATOM 3 C TYR A 8 11.910 -4.447 17.205 1.00 0.00 C ATOM 4 O TYR A 8 12.662 -4.873 16.350 1.00 0.00 O ATOM 5 CB TYR A 8 12.460 -2.044 16.776 1.00 0.00 C ATOM 6 CG TYR A 8 11.339 -1.994 15.766 1.00 0.00 C ATOM 7 CD1 TYR A 8 10.210 -1.204 16.013 1.00 0.00 C ATOM 8 CD2 TYR A 8 11.428 -2.737 14.583 1.00 0.00 C ATOM 9 CE1 TYR A 8 9.170 -1.158 15.077 1.00 0.00 C ATOM 10 CE2 TYR A 8 10.387 -2.690 13.647 1.00 0.00 C ATOM 11 CZ TYR A 8 9.259 -1.900 13.895 1.00 0.00 C ATOM 12 OH TYR A 8 8.233 -1.853 12.973 1.00 0.00 O ATOM 0 HA TYR A 8 11.234 -2.774 18.382 1.00 0.00 H new ATOM 0 HB2 TYR A 8 12.596 -1.063 17.232 1.00 0.00 H new ATOM 0 HB3 TYR A 8 13.397 -2.299 16.282 1.00 0.00 H new ATOM 0 HD1 TYR A 8 10.141 -0.630 16.925 1.00 0.00 H new ATOM 0 HD2 TYR A 8 12.299 -3.346 14.392 1.00 0.00 H new ATOM 0 HE1 TYR A 8 8.299 -0.549 15.268 1.00 0.00 H new ATOM 0 HE2 TYR A 8 10.455 -3.263 12.734 1.00 0.00 H new ATOM 0 HH TYR A 8 7.684 -1.058 13.135 1.00 0.00 H new ATOM 22 N VAL A 9 10.886 -5.145 17.611 1.00 0.00 N ATOM 23 CA VAL A 9 10.622 -6.489 17.026 1.00 0.00 C ATOM 24 C VAL A 9 9.469 -6.394 16.023 1.00 0.00 C ATOM 25 O VAL A 9 8.369 -6.000 16.358 1.00 0.00 O ATOM 26 CB VAL A 9 10.250 -7.461 18.147 1.00 0.00 C ATOM 27 CG1 VAL A 9 11.503 -7.821 18.946 1.00 0.00 C ATOM 28 CG2 VAL A 9 9.230 -6.797 19.075 1.00 0.00 C ATOM 0 H VAL A 9 10.221 -4.843 18.323 1.00 0.00 H new ATOM 0 HA VAL A 9 11.515 -6.848 16.513 1.00 0.00 H new ATOM 0 HB VAL A 9 9.820 -8.366 17.717 1.00 0.00 H new ATOM 0 HG11 VAL A 9 11.239 -8.514 19.745 1.00 0.00 H new ATOM 0 HG12 VAL A 9 12.233 -8.290 18.286 1.00 0.00 H new ATOM 0 HG13 VAL A 9 11.932 -6.916 19.377 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.963 -7.487 19.875 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.663 -5.894 19.505 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.337 -6.537 18.507 1.00 0.00 H new ATOM 38 N ALA A 10 9.718 -6.746 14.790 1.00 0.00 N ATOM 39 CA ALA A 10 8.648 -6.672 13.753 1.00 0.00 C ATOM 40 C ALA A 10 7.461 -7.553 14.162 1.00 0.00 C ATOM 41 O ALA A 10 7.514 -8.238 15.162 1.00 0.00 O ATOM 42 CB ALA A 10 9.206 -7.159 12.414 1.00 0.00 C ATOM 0 H ALA A 10 10.621 -7.083 14.455 1.00 0.00 H new ATOM 0 HA ALA A 10 8.311 -5.640 13.658 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.426 -7.106 11.654 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.044 -6.528 12.118 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.545 -8.190 12.515 1.00 0.00 H new ATOM 48 N PRO A 11 6.420 -7.499 13.365 1.00 0.00 N ATOM 49 CA PRO A 11 5.188 -8.274 13.604 1.00 0.00 C ATOM 50 C PRO A 11 5.376 -9.740 13.195 1.00 0.00 C ATOM 51 O PRO A 11 6.481 -10.240 13.132 1.00 0.00 O ATOM 52 CB PRO A 11 4.151 -7.581 12.716 1.00 0.00 C ATOM 53 CG PRO A 11 4.943 -6.834 11.617 1.00 0.00 C ATOM 54 CD PRO A 11 6.376 -6.655 12.151 1.00 0.00 C ATOM 0 HA PRO A 11 4.896 -8.297 14.654 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.469 -8.308 12.276 1.00 0.00 H new ATOM 0 HB3 PRO A 11 3.545 -6.886 13.297 1.00 0.00 H new ATOM 0 HG2 PRO A 11 4.944 -7.402 10.687 1.00 0.00 H new ATOM 0 HG3 PRO A 11 4.487 -5.868 11.400 1.00 0.00 H new ATOM 0 HD2 PRO A 11 7.117 -6.974 11.418 1.00 0.00 H new ATOM 0 HD3 PRO A 11 6.587 -5.611 12.384 1.00 0.00 H new ATOM 62 N THR A 12 4.302 -10.439 12.933 1.00 0.00 N ATOM 63 CA THR A 12 4.423 -11.876 12.549 1.00 0.00 C ATOM 64 C THR A 12 3.691 -12.152 11.231 1.00 0.00 C ATOM 65 O THR A 12 4.109 -12.980 10.447 1.00 0.00 O ATOM 66 CB THR A 12 3.808 -12.744 13.647 1.00 0.00 C ATOM 67 OG1 THR A 12 2.394 -12.622 13.603 1.00 0.00 O ATOM 68 CG2 THR A 12 4.320 -12.285 15.012 1.00 0.00 C ATOM 0 H THR A 12 3.349 -10.077 12.968 1.00 0.00 H new ATOM 0 HA THR A 12 5.479 -12.112 12.422 1.00 0.00 H new ATOM 0 HB THR A 12 4.090 -13.785 13.490 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.996 -13.178 14.304 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.880 -12.905 15.793 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.406 -12.378 15.043 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.040 -11.244 15.174 1.00 0.00 H new ATOM 76 N ASN A 13 2.600 -11.480 10.977 1.00 0.00 N ATOM 77 CA ASN A 13 1.859 -11.731 9.711 1.00 0.00 C ATOM 78 C ASN A 13 1.748 -10.428 8.931 1.00 0.00 C ATOM 79 O ASN A 13 2.054 -9.368 9.437 1.00 0.00 O ATOM 80 CB ASN A 13 0.458 -12.260 10.031 1.00 0.00 C ATOM 81 CG ASN A 13 -0.271 -11.270 10.942 1.00 0.00 C ATOM 82 OD1 ASN A 13 0.315 -10.317 11.416 1.00 0.00 O ATOM 83 ND2 ASN A 13 -1.534 -11.459 11.213 1.00 0.00 N ATOM 0 H ASN A 13 2.193 -10.772 11.589 1.00 0.00 H new ATOM 0 HA ASN A 13 2.393 -12.471 9.115 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -0.106 -12.404 9.110 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.528 -13.233 10.517 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.028 -10.807 11.822 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.027 -12.259 10.816 1.00 0.00 H new ATOM 90 N ALA A 14 1.325 -10.488 7.700 1.00 0.00 N ATOM 91 CA ALA A 14 1.222 -9.233 6.918 1.00 0.00 C ATOM 92 C ALA A 14 0.016 -8.424 7.374 1.00 0.00 C ATOM 93 O ALA A 14 -0.196 -7.321 6.921 1.00 0.00 O ATOM 94 CB ALA A 14 1.117 -9.533 5.434 1.00 0.00 C ATOM 0 H ALA A 14 1.051 -11.340 7.210 1.00 0.00 H new ATOM 0 HA ALA A 14 2.125 -8.648 7.090 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.042 -8.598 4.878 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.003 -10.078 5.109 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.230 -10.138 5.247 1.00 0.00 H new ATOM 100 N VAL A 15 -0.763 -8.922 8.290 1.00 0.00 N ATOM 101 CA VAL A 15 -1.896 -8.093 8.757 1.00 0.00 C ATOM 102 C VAL A 15 -1.276 -6.888 9.448 1.00 0.00 C ATOM 103 O VAL A 15 -1.496 -5.747 9.073 1.00 0.00 O ATOM 104 CB VAL A 15 -2.779 -8.859 9.727 1.00 0.00 C ATOM 105 CG1 VAL A 15 -3.713 -7.864 10.423 1.00 0.00 C ATOM 106 CG2 VAL A 15 -3.603 -9.878 8.934 1.00 0.00 C ATOM 0 H VAL A 15 -0.667 -9.841 8.723 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.532 -7.800 7.922 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.177 -9.378 10.473 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.355 -8.397 11.124 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.121 -7.125 10.963 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.329 -7.360 9.678 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.243 -10.438 9.616 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.220 -9.357 8.202 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.933 -10.566 8.419 1.00 0.00 H new ATOM 116 N GLU A 16 -0.446 -7.142 10.424 1.00 0.00 N ATOM 117 CA GLU A 16 0.244 -6.031 11.110 1.00 0.00 C ATOM 118 C GLU A 16 1.381 -5.573 10.201 1.00 0.00 C ATOM 119 O GLU A 16 1.722 -4.411 10.164 1.00 0.00 O ATOM 120 CB GLU A 16 0.795 -6.505 12.457 1.00 0.00 C ATOM 121 CG GLU A 16 -0.337 -7.120 13.282 1.00 0.00 C ATOM 122 CD GLU A 16 0.246 -8.095 14.305 1.00 0.00 C ATOM 123 OE1 GLU A 16 1.441 -8.335 14.254 1.00 0.00 O ATOM 124 OE2 GLU A 16 -0.513 -8.587 15.125 1.00 0.00 O ATOM 0 H GLU A 16 -0.221 -8.075 10.771 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.444 -5.209 11.304 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.586 -7.239 12.301 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.239 -5.668 12.996 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.898 -6.336 13.790 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.037 -7.639 12.628 1.00 0.00 H new ATOM 131 N SER A 17 1.964 -6.476 9.444 1.00 0.00 N ATOM 132 CA SER A 17 3.059 -6.050 8.527 1.00 0.00 C ATOM 133 C SER A 17 2.489 -5.066 7.499 1.00 0.00 C ATOM 134 O SER A 17 3.083 -4.041 7.210 1.00 0.00 O ATOM 135 CB SER A 17 3.702 -7.253 7.834 1.00 0.00 C ATOM 136 OG SER A 17 3.446 -7.200 6.434 1.00 0.00 O ATOM 0 H SER A 17 1.731 -7.469 9.424 1.00 0.00 H new ATOM 0 HA SER A 17 3.841 -5.560 9.106 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.777 -7.257 8.016 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.305 -8.179 8.250 1.00 0.00 H new ATOM 0 HG SER A 17 3.764 -8.025 6.012 1.00 0.00 H new ATOM 142 N LYS A 18 1.326 -5.343 6.964 1.00 0.00 N ATOM 143 CA LYS A 18 0.732 -4.390 5.987 1.00 0.00 C ATOM 144 C LYS A 18 0.404 -3.111 6.740 1.00 0.00 C ATOM 145 O LYS A 18 0.976 -2.070 6.487 1.00 0.00 O ATOM 146 CB LYS A 18 -0.552 -4.964 5.369 1.00 0.00 C ATOM 147 CG LYS A 18 -1.349 -3.840 4.684 1.00 0.00 C ATOM 148 CD LYS A 18 -0.458 -3.126 3.663 1.00 0.00 C ATOM 149 CE LYS A 18 -0.889 -3.508 2.248 1.00 0.00 C ATOM 150 NZ LYS A 18 0.317 -3.823 1.434 1.00 0.00 N ATOM 0 H LYS A 18 0.771 -6.176 7.160 1.00 0.00 H new ATOM 0 HA LYS A 18 1.437 -4.204 5.177 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.303 -5.739 4.644 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.160 -5.434 6.142 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.228 -4.253 4.189 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.708 -3.129 5.428 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.529 -2.046 3.796 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.585 -3.399 3.822 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.556 -4.369 2.279 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.446 -2.690 1.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.027 -4.083 0.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.937 -2.989 1.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.831 -4.617 1.867 1.00 0.00 H new ATOM 164 N LEU A 19 -0.495 -3.188 7.687 1.00 0.00 N ATOM 165 CA LEU A 19 -0.836 -1.973 8.472 1.00 0.00 C ATOM 166 C LEU A 19 0.467 -1.281 8.872 1.00 0.00 C ATOM 167 O LEU A 19 0.613 -0.090 8.738 1.00 0.00 O ATOM 168 CB LEU A 19 -1.624 -2.375 9.723 1.00 0.00 C ATOM 169 CG LEU A 19 -3.101 -2.572 9.358 1.00 0.00 C ATOM 170 CD1 LEU A 19 -3.211 -3.369 8.056 1.00 0.00 C ATOM 171 CD2 LEU A 19 -3.811 -3.337 10.480 1.00 0.00 C ATOM 0 H LEU A 19 -1.002 -4.034 7.946 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.449 -1.295 7.878 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.216 -3.295 10.142 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.527 -1.606 10.489 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.569 -1.596 9.227 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.262 -3.506 7.801 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.711 -2.826 7.254 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.739 -4.343 8.185 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.860 -3.476 10.219 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.338 -4.310 10.613 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.740 -2.770 11.408 1.00 0.00 H new ATOM 183 N ALA A 20 1.433 -2.024 9.337 1.00 0.00 N ATOM 184 CA ALA A 20 2.730 -1.395 9.712 1.00 0.00 C ATOM 185 C ALA A 20 3.162 -0.466 8.574 1.00 0.00 C ATOM 186 O ALA A 20 3.453 0.698 8.781 1.00 0.00 O ATOM 187 CB ALA A 20 3.785 -2.485 9.918 1.00 0.00 C ATOM 0 H ALA A 20 1.381 -3.034 9.473 1.00 0.00 H new ATOM 0 HA ALA A 20 2.622 -0.828 10.637 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.734 -2.025 10.192 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.464 -3.157 10.714 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.909 -3.050 8.994 1.00 0.00 H new ATOM 193 N GLU A 21 3.188 -0.968 7.365 1.00 0.00 N ATOM 194 CA GLU A 21 3.579 -0.097 6.218 1.00 0.00 C ATOM 195 C GLU A 21 2.571 1.055 6.115 1.00 0.00 C ATOM 196 O GLU A 21 2.916 2.209 6.269 1.00 0.00 O ATOM 197 CB GLU A 21 3.566 -0.909 4.920 1.00 0.00 C ATOM 198 CG GLU A 21 4.990 -1.364 4.586 1.00 0.00 C ATOM 199 CD GLU A 21 5.540 -0.526 3.429 1.00 0.00 C ATOM 200 OE1 GLU A 21 4.781 -0.233 2.520 1.00 0.00 O ATOM 201 OE2 GLU A 21 6.713 -0.193 3.473 1.00 0.00 O ATOM 0 H GLU A 21 2.958 -1.932 7.125 1.00 0.00 H new ATOM 0 HA GLU A 21 4.583 0.296 6.376 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.912 -1.775 5.027 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.165 -0.306 4.105 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.631 -1.258 5.461 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.991 -2.420 4.316 1.00 0.00 H new ATOM 208 N ILE A 22 1.323 0.742 5.875 1.00 0.00 N ATOM 209 CA ILE A 22 0.281 1.819 5.786 1.00 0.00 C ATOM 210 C ILE A 22 0.515 2.805 6.918 1.00 0.00 C ATOM 211 O ILE A 22 0.446 4.006 6.756 1.00 0.00 O ATOM 212 CB ILE A 22 -1.139 1.216 5.892 1.00 0.00 C ATOM 213 CG1 ILE A 22 -1.708 1.407 7.299 1.00 0.00 C ATOM 214 CG2 ILE A 22 -1.123 -0.270 5.548 1.00 0.00 C ATOM 215 CD1 ILE A 22 -3.070 0.733 7.394 1.00 0.00 C ATOM 0 H ILE A 22 0.978 -0.208 5.737 1.00 0.00 H new ATOM 0 HA ILE A 22 0.358 2.325 4.823 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.774 1.740 5.178 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.028 0.982 8.038 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.800 2.470 7.524 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.132 -0.673 5.629 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.760 -0.404 4.529 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.465 -0.797 6.240 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.474 0.870 8.397 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.748 1.178 6.666 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.964 -0.332 7.188 1.00 0.00 H new ATOM 227 N TRP A 23 0.779 2.283 8.068 1.00 0.00 N ATOM 228 CA TRP A 23 1.012 3.136 9.250 1.00 0.00 C ATOM 229 C TRP A 23 2.095 4.172 8.942 1.00 0.00 C ATOM 230 O TRP A 23 1.839 5.357 8.883 1.00 0.00 O ATOM 231 CB TRP A 23 1.479 2.256 10.401 1.00 0.00 C ATOM 232 CG TRP A 23 0.315 1.896 11.253 1.00 0.00 C ATOM 233 CD1 TRP A 23 -0.749 1.159 10.857 1.00 0.00 C ATOM 234 CD2 TRP A 23 0.080 2.250 12.636 1.00 0.00 C ATOM 235 NE1 TRP A 23 -1.619 1.036 11.920 1.00 0.00 N ATOM 236 CE2 TRP A 23 -1.150 1.693 13.041 1.00 0.00 C ATOM 237 CE3 TRP A 23 0.815 2.995 13.570 1.00 0.00 C ATOM 238 CZ2 TRP A 23 -1.638 1.870 14.329 1.00 0.00 C ATOM 239 CZ3 TRP A 23 0.330 3.178 14.872 1.00 0.00 C ATOM 240 CH2 TRP A 23 -0.896 2.617 15.252 1.00 0.00 C ATOM 0 H TRP A 23 0.845 1.280 8.244 1.00 0.00 H new ATOM 0 HA TRP A 23 0.089 3.652 9.515 1.00 0.00 H new ATOM 0 HB2 TRP A 23 1.953 1.354 10.014 1.00 0.00 H new ATOM 0 HB3 TRP A 23 2.228 2.781 10.993 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -0.893 0.738 9.873 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -2.500 0.523 11.883 1.00 0.00 H new ATOM 0 HE3 TRP A 23 1.761 3.430 13.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -2.583 1.434 14.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 0.903 3.753 15.584 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -1.268 2.760 16.256 1.00 0.00 H new ATOM 251 N GLU A 24 3.311 3.729 8.763 1.00 0.00 N ATOM 252 CA GLU A 24 4.420 4.697 8.479 1.00 0.00 C ATOM 253 C GLU A 24 4.181 5.400 7.141 1.00 0.00 C ATOM 254 O GLU A 24 4.518 6.553 6.968 1.00 0.00 O ATOM 255 CB GLU A 24 5.786 3.986 8.410 1.00 0.00 C ATOM 256 CG GLU A 24 5.612 2.472 8.269 1.00 0.00 C ATOM 257 CD GLU A 24 6.974 1.830 8.001 1.00 0.00 C ATOM 258 OE1 GLU A 24 7.694 2.344 7.159 1.00 0.00 O ATOM 259 OE2 GLU A 24 7.278 0.837 8.642 1.00 0.00 O ATOM 0 H GLU A 24 3.587 2.748 8.800 1.00 0.00 H new ATOM 0 HA GLU A 24 4.431 5.420 9.294 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.357 4.370 7.565 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.360 4.207 9.310 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.175 2.058 9.178 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.924 2.248 7.453 1.00 0.00 H new ATOM 266 N ARG A 25 3.627 4.709 6.189 1.00 0.00 N ATOM 267 CA ARG A 25 3.394 5.332 4.855 1.00 0.00 C ATOM 268 C ARG A 25 2.311 6.411 4.949 1.00 0.00 C ATOM 269 O ARG A 25 2.532 7.558 4.610 1.00 0.00 O ATOM 270 CB ARG A 25 2.951 4.250 3.868 1.00 0.00 C ATOM 271 CG ARG A 25 2.383 4.902 2.606 1.00 0.00 C ATOM 272 CD ARG A 25 2.072 3.819 1.575 1.00 0.00 C ATOM 273 NE ARG A 25 3.256 2.930 1.426 1.00 0.00 N ATOM 274 CZ ARG A 25 3.101 1.704 1.016 1.00 0.00 C ATOM 275 NH1 ARG A 25 2.625 0.802 1.828 1.00 0.00 N ATOM 276 NH2 ARG A 25 3.422 1.380 -0.207 1.00 0.00 N ATOM 0 H ARG A 25 3.324 3.739 6.274 1.00 0.00 H new ATOM 0 HA ARG A 25 4.319 5.795 4.512 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.796 3.612 3.610 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.198 3.611 4.329 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.479 5.461 2.847 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.099 5.615 2.197 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.204 3.239 1.890 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.821 4.274 0.617 1.00 0.00 H new ATOM 0 HE ARG A 25 4.188 3.281 1.645 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.374 1.057 2.783 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.503 -0.159 1.508 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.794 2.087 -0.841 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.301 0.420 -0.529 1.00 0.00 H new ATOM 290 N VAL A 26 1.135 6.049 5.379 1.00 0.00 N ATOM 291 CA VAL A 26 0.030 7.045 5.466 1.00 0.00 C ATOM 292 C VAL A 26 0.242 7.990 6.649 1.00 0.00 C ATOM 293 O VAL A 26 -0.061 9.165 6.573 1.00 0.00 O ATOM 294 CB VAL A 26 -1.297 6.307 5.637 1.00 0.00 C ATOM 295 CG1 VAL A 26 -2.434 7.324 5.734 1.00 0.00 C ATOM 296 CG2 VAL A 26 -1.530 5.397 4.429 1.00 0.00 C ATOM 0 H VAL A 26 0.890 5.104 5.675 1.00 0.00 H new ATOM 0 HA VAL A 26 0.017 7.635 4.550 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.267 5.706 6.546 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.382 6.800 5.856 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.267 7.976 6.591 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.465 7.923 4.824 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.476 4.869 4.548 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.562 5.999 3.521 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.718 4.674 4.356 1.00 0.00 H new ATOM 306 N LEU A 27 0.743 7.498 7.746 1.00 0.00 N ATOM 307 CA LEU A 27 0.946 8.389 8.921 1.00 0.00 C ATOM 308 C LEU A 27 2.195 9.252 8.713 1.00 0.00 C ATOM 309 O LEU A 27 2.147 10.460 8.832 1.00 0.00 O ATOM 310 CB LEU A 27 1.095 7.543 10.187 1.00 0.00 C ATOM 311 CG LEU A 27 -0.061 6.543 10.267 1.00 0.00 C ATOM 312 CD1 LEU A 27 0.172 5.586 11.438 1.00 0.00 C ATOM 313 CD2 LEU A 27 -1.377 7.298 10.477 1.00 0.00 C ATOM 0 H LEU A 27 1.019 6.525 7.880 1.00 0.00 H new ATOM 0 HA LEU A 27 0.082 9.044 9.030 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.048 7.014 10.175 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.098 8.184 11.068 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.114 5.974 9.339 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.651 4.874 11.495 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.108 5.048 11.287 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.226 6.154 12.367 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.200 6.586 10.534 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.325 7.868 11.405 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.543 7.979 9.642 1.00 0.00 H new ATOM 325 N GLY A 28 3.310 8.652 8.396 1.00 0.00 N ATOM 326 CA GLY A 28 4.543 9.460 8.174 1.00 0.00 C ATOM 327 C GLY A 28 5.628 9.054 9.175 1.00 0.00 C ATOM 328 O GLY A 28 6.187 9.881 9.867 1.00 0.00 O ATOM 0 H GLY A 28 3.421 7.644 8.282 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.904 9.314 7.156 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.316 10.521 8.283 1.00 0.00 H new ATOM 332 N VAL A 29 5.937 7.791 9.251 1.00 0.00 N ATOM 333 CA VAL A 29 6.995 7.336 10.200 1.00 0.00 C ATOM 334 C VAL A 29 7.873 6.307 9.497 1.00 0.00 C ATOM 335 O VAL A 29 7.744 6.074 8.311 1.00 0.00 O ATOM 336 CB VAL A 29 6.361 6.677 11.432 1.00 0.00 C ATOM 337 CG1 VAL A 29 7.095 7.137 12.693 1.00 0.00 C ATOM 338 CG2 VAL A 29 4.886 7.066 11.535 1.00 0.00 C ATOM 0 H VAL A 29 5.504 7.052 8.698 1.00 0.00 H new ATOM 0 HA VAL A 29 7.583 8.197 10.517 1.00 0.00 H new ATOM 0 HB VAL A 29 6.440 5.594 11.335 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.644 6.668 13.568 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.145 6.850 12.628 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.020 8.221 12.783 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.445 6.593 12.413 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.801 8.149 11.625 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.359 6.734 10.641 1.00 0.00 H new ATOM 348 N SER A 30 8.754 5.675 10.217 1.00 0.00 N ATOM 349 CA SER A 30 9.618 4.649 9.581 1.00 0.00 C ATOM 350 C SER A 30 9.938 3.556 10.600 1.00 0.00 C ATOM 351 O SER A 30 11.042 3.053 10.664 1.00 0.00 O ATOM 352 CB SER A 30 10.915 5.291 9.088 1.00 0.00 C ATOM 353 OG SER A 30 10.911 5.329 7.666 1.00 0.00 O ATOM 0 H SER A 30 8.912 5.824 11.214 1.00 0.00 H new ATOM 0 HA SER A 30 9.094 4.213 8.730 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.010 6.300 9.490 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.774 4.723 9.445 1.00 0.00 H new ATOM 0 HG SER A 30 11.741 5.742 7.347 1.00 0.00 H new ATOM 359 N GLY A 31 8.974 3.184 11.394 1.00 0.00 N ATOM 360 CA GLY A 31 9.209 2.122 12.411 1.00 0.00 C ATOM 361 C GLY A 31 7.862 1.554 12.863 1.00 0.00 C ATOM 362 O GLY A 31 7.432 0.516 12.401 1.00 0.00 O ATOM 0 H GLY A 31 8.030 3.571 11.382 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.829 1.330 11.991 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.750 2.532 13.264 1.00 0.00 H new ATOM 366 N ILE A 32 7.190 2.236 13.756 1.00 0.00 N ATOM 367 CA ILE A 32 5.863 1.752 14.236 1.00 0.00 C ATOM 368 C ILE A 32 5.902 0.234 14.436 1.00 0.00 C ATOM 369 O ILE A 32 5.694 -0.531 13.515 1.00 0.00 O ATOM 370 CB ILE A 32 4.802 2.119 13.201 1.00 0.00 C ATOM 371 CG1 ILE A 32 4.917 3.609 12.873 1.00 0.00 C ATOM 372 CG2 ILE A 32 3.412 1.833 13.761 1.00 0.00 C ATOM 373 CD1 ILE A 32 4.587 3.838 11.399 1.00 0.00 C ATOM 0 H ILE A 32 7.506 3.111 14.174 1.00 0.00 H new ATOM 0 HA ILE A 32 5.621 2.220 15.190 1.00 0.00 H new ATOM 0 HB ILE A 32 4.955 1.526 12.299 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.236 4.183 13.502 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.925 3.962 13.089 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.659 2.097 13.018 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.328 0.773 14.002 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.254 2.424 14.663 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.670 4.900 11.168 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.285 3.276 10.778 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.570 3.501 11.197 1.00 0.00 H new ATOM 385 N GLY A 33 6.177 -0.207 15.633 1.00 0.00 N ATOM 386 CA GLY A 33 6.246 -1.672 15.897 1.00 0.00 C ATOM 387 C GLY A 33 4.906 -2.340 15.560 1.00 0.00 C ATOM 388 O GLY A 33 4.703 -2.813 14.459 1.00 0.00 O ATOM 0 H GLY A 33 6.358 0.387 16.442 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.042 -2.118 15.301 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.494 -1.848 16.944 1.00 0.00 H new ATOM 392 N ILE A 34 3.996 -2.403 16.499 1.00 0.00 N ATOM 393 CA ILE A 34 2.684 -3.063 16.218 1.00 0.00 C ATOM 394 C ILE A 34 1.574 -2.446 17.079 1.00 0.00 C ATOM 395 O ILE A 34 0.599 -1.940 16.568 1.00 0.00 O ATOM 396 CB ILE A 34 2.795 -4.559 16.522 1.00 0.00 C ATOM 397 CG1 ILE A 34 3.835 -5.198 15.600 1.00 0.00 C ATOM 398 CG2 ILE A 34 1.441 -5.229 16.289 1.00 0.00 C ATOM 399 CD1 ILE A 34 5.226 -5.048 16.216 1.00 0.00 C ATOM 0 H ILE A 34 4.103 -2.029 17.442 1.00 0.00 H new ATOM 0 HA ILE A 34 2.433 -2.915 15.168 1.00 0.00 H new ATOM 0 HB ILE A 34 3.098 -4.691 17.561 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.604 -6.253 15.450 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.807 -4.723 14.619 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.520 -6.294 16.505 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.695 -4.780 16.945 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.141 -5.091 15.250 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.966 -5.504 15.558 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.456 -3.990 16.343 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.249 -5.543 17.187 1.00 0.00 H new ATOM 411 N LEU A 35 1.696 -2.469 18.379 1.00 0.00 N ATOM 412 CA LEU A 35 0.614 -1.868 19.211 1.00 0.00 C ATOM 413 C LEU A 35 0.884 -0.372 19.398 1.00 0.00 C ATOM 414 O LEU A 35 0.584 0.205 20.423 1.00 0.00 O ATOM 415 CB LEU A 35 0.524 -2.561 20.572 1.00 0.00 C ATOM 416 CG LEU A 35 -0.944 -2.632 20.998 1.00 0.00 C ATOM 417 CD1 LEU A 35 -1.163 -3.853 21.891 1.00 0.00 C ATOM 418 CD2 LEU A 35 -1.311 -1.364 21.771 1.00 0.00 C ATOM 0 H LEU A 35 2.481 -2.869 18.893 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.338 -2.004 18.698 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.948 -3.563 20.513 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.105 -2.012 21.313 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.573 -2.716 20.112 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.209 -3.900 22.192 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.903 -4.757 21.341 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.533 -3.773 22.777 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.357 -1.413 22.075 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.679 -1.281 22.655 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.159 -0.493 21.134 1.00 0.00 H new ATOM 430 N ASP A 36 1.431 0.254 18.394 1.00 0.00 N ATOM 431 CA ASP A 36 1.711 1.715 18.467 1.00 0.00 C ATOM 432 C ASP A 36 0.396 2.484 18.609 1.00 0.00 C ATOM 433 O ASP A 36 -0.675 1.952 18.397 1.00 0.00 O ATOM 434 CB ASP A 36 2.389 2.153 17.168 1.00 0.00 C ATOM 435 CG ASP A 36 3.904 2.216 17.372 1.00 0.00 C ATOM 436 OD1 ASP A 36 4.356 3.147 18.016 1.00 0.00 O ATOM 437 OD2 ASP A 36 4.585 1.331 16.881 1.00 0.00 O ATOM 0 H ASP A 36 1.699 -0.190 17.516 1.00 0.00 H new ATOM 0 HA ASP A 36 2.353 1.919 19.324 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.149 1.453 16.368 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.013 3.129 16.861 1.00 0.00 H new ATOM 442 N ASN A 37 0.471 3.742 18.946 1.00 0.00 N ATOM 443 CA ASN A 37 -0.768 4.556 19.078 1.00 0.00 C ATOM 444 C ASN A 37 -0.856 5.505 17.881 1.00 0.00 C ATOM 445 O ASN A 37 -0.004 6.350 17.689 1.00 0.00 O ATOM 446 CB ASN A 37 -0.716 5.366 20.376 1.00 0.00 C ATOM 447 CG ASN A 37 -1.582 4.687 21.438 1.00 0.00 C ATOM 448 OD1 ASN A 37 -1.238 3.633 21.936 1.00 0.00 O ATOM 449 ND2 ASN A 37 -2.699 5.247 21.811 1.00 0.00 N ATOM 0 H ASN A 37 1.340 4.242 19.136 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.642 3.905 19.103 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.313 5.444 20.727 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.070 6.381 20.198 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.282 4.801 22.519 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.990 6.132 21.395 1.00 0.00 H new ATOM 456 N PHE A 38 -1.864 5.360 17.063 1.00 0.00 N ATOM 457 CA PHE A 38 -1.985 6.251 15.861 1.00 0.00 C ATOM 458 C PHE A 38 -1.623 7.686 16.242 1.00 0.00 C ATOM 459 O PHE A 38 -1.157 8.448 15.419 1.00 0.00 O ATOM 460 CB PHE A 38 -3.426 6.224 15.305 1.00 0.00 C ATOM 461 CG PHE A 38 -3.675 4.938 14.545 1.00 0.00 C ATOM 462 CD1 PHE A 38 -3.004 4.678 13.345 1.00 0.00 C ATOM 463 CD2 PHE A 38 -4.561 3.993 15.060 1.00 0.00 C ATOM 464 CE1 PHE A 38 -3.224 3.477 12.666 1.00 0.00 C ATOM 465 CE2 PHE A 38 -4.775 2.787 14.391 1.00 0.00 C ATOM 466 CZ PHE A 38 -4.107 2.525 13.194 1.00 0.00 C ATOM 0 H PHE A 38 -2.607 4.669 17.170 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.301 5.887 15.094 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.140 6.314 16.124 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.585 7.079 14.648 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.315 5.406 12.943 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.085 4.195 15.982 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.714 3.282 11.734 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -5.458 2.057 14.800 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.270 1.591 12.676 1.00 0.00 H new ATOM 476 N PHE A 39 -1.804 8.064 17.474 1.00 0.00 N ATOM 477 CA PHE A 39 -1.433 9.449 17.853 1.00 0.00 C ATOM 478 C PHE A 39 -0.006 9.451 18.382 1.00 0.00 C ATOM 479 O PHE A 39 0.338 10.188 19.285 1.00 0.00 O ATOM 480 CB PHE A 39 -2.374 10.010 18.915 1.00 0.00 C ATOM 481 CG PHE A 39 -2.235 11.510 18.898 1.00 0.00 C ATOM 482 CD1 PHE A 39 -2.304 12.194 17.679 1.00 0.00 C ATOM 483 CD2 PHE A 39 -2.006 12.215 20.085 1.00 0.00 C ATOM 484 CE1 PHE A 39 -2.151 13.582 17.645 1.00 0.00 C ATOM 485 CE2 PHE A 39 -1.846 13.606 20.051 1.00 0.00 C ATOM 486 CZ PHE A 39 -1.920 14.289 18.828 1.00 0.00 C ATOM 0 H PHE A 39 -2.186 7.485 18.222 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.512 10.082 16.969 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.404 9.718 18.707 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.122 9.613 19.898 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.476 11.648 16.763 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.953 11.687 21.026 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.211 14.109 16.704 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.666 14.152 20.965 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.798 15.362 18.801 1.00 0.00 H new ATOM 496 N GLN A 40 0.832 8.635 17.814 1.00 0.00 N ATOM 497 CA GLN A 40 2.248 8.588 18.262 1.00 0.00 C ATOM 498 C GLN A 40 2.993 9.762 17.614 1.00 0.00 C ATOM 499 O GLN A 40 4.094 10.095 17.996 1.00 0.00 O ATOM 500 CB GLN A 40 2.884 7.258 17.795 1.00 0.00 C ATOM 501 CG GLN A 40 2.682 6.181 18.866 1.00 0.00 C ATOM 502 CD GLN A 40 3.789 6.296 19.917 1.00 0.00 C ATOM 503 OE1 GLN A 40 4.828 6.869 19.658 1.00 0.00 O ATOM 504 NE2 GLN A 40 3.610 5.770 21.097 1.00 0.00 N ATOM 0 H GLN A 40 0.596 7.995 17.055 1.00 0.00 H new ATOM 0 HA GLN A 40 2.307 8.655 19.348 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.433 6.939 16.856 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.948 7.400 17.605 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.706 6.298 19.336 1.00 0.00 H new ATOM 0 HG3 GLN A 40 2.700 5.191 18.410 1.00 0.00 H new ATOM 0 HE21 GLN A 40 2.737 5.289 21.314 1.00 0.00 H new ATOM 0 HE22 GLN A 40 4.343 5.840 21.803 1.00 0.00 H new ATOM 513 N ILE A 41 2.377 10.386 16.639 1.00 0.00 N ATOM 514 CA ILE A 41 2.994 11.550 15.934 1.00 0.00 C ATOM 515 C ILE A 41 2.322 11.671 14.565 1.00 0.00 C ATOM 516 O ILE A 41 2.740 11.060 13.603 1.00 0.00 O ATOM 517 CB ILE A 41 4.506 11.336 15.760 1.00 0.00 C ATOM 518 CG1 ILE A 41 5.103 12.467 14.894 1.00 0.00 C ATOM 519 CG2 ILE A 41 4.767 9.967 15.128 1.00 0.00 C ATOM 520 CD1 ILE A 41 5.029 12.144 13.391 1.00 0.00 C ATOM 0 H ILE A 41 1.451 10.130 16.296 1.00 0.00 H new ATOM 0 HA ILE A 41 2.851 12.461 16.516 1.00 0.00 H new ATOM 0 HB ILE A 41 4.990 11.362 16.736 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.568 13.396 15.092 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.142 12.631 15.179 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.840 9.821 15.007 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.365 9.186 15.773 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.282 9.918 14.153 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.460 12.967 12.820 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.587 11.230 13.187 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.988 12.006 13.099 1.00 0.00 H new ATOM 532 N GLY A 42 1.261 12.431 14.474 1.00 0.00 N ATOM 533 CA GLY A 42 0.557 12.560 13.165 1.00 0.00 C ATOM 534 C GLY A 42 -0.107 13.934 13.056 1.00 0.00 C ATOM 535 O GLY A 42 0.469 14.942 13.416 1.00 0.00 O ATOM 0 H GLY A 42 0.855 12.964 15.243 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.265 12.424 12.348 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.194 11.776 13.069 1.00 0.00 H new ATOM 539 N GLY A 43 -1.312 13.987 12.553 1.00 0.00 N ATOM 540 CA GLY A 43 -2.001 15.301 12.414 1.00 0.00 C ATOM 541 C GLY A 43 -3.477 15.169 12.805 1.00 0.00 C ATOM 542 O GLY A 43 -3.864 15.495 13.910 1.00 0.00 O ATOM 0 H GLY A 43 -1.847 13.179 12.234 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.515 16.043 13.047 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.920 15.655 11.386 1.00 0.00 H new ATOM 546 N HIS A 44 -4.309 14.710 11.908 1.00 0.00 N ATOM 547 CA HIS A 44 -5.758 14.577 12.240 1.00 0.00 C ATOM 548 C HIS A 44 -6.192 13.115 12.136 1.00 0.00 C ATOM 549 O HIS A 44 -5.390 12.231 11.900 1.00 0.00 O ATOM 550 CB HIS A 44 -6.581 15.416 11.261 1.00 0.00 C ATOM 551 CG HIS A 44 -7.383 16.434 12.022 1.00 0.00 C ATOM 552 ND1 HIS A 44 -8.738 16.625 11.800 1.00 0.00 N ATOM 553 CD2 HIS A 44 -7.037 17.322 13.009 1.00 0.00 C ATOM 554 CE1 HIS A 44 -9.153 17.595 12.635 1.00 0.00 C ATOM 555 NE2 HIS A 44 -8.156 18.054 13.395 1.00 0.00 N ATOM 0 H HIS A 44 -4.050 14.423 10.964 1.00 0.00 H new ATOM 0 HA HIS A 44 -5.921 14.926 13.260 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.922 15.914 10.550 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -7.245 14.773 10.683 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -6.046 17.436 13.424 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -10.169 17.958 12.684 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -8.204 18.784 14.106 1.00 0.00 H new ATOM 563 N SER A 45 -7.459 12.857 12.311 1.00 0.00 N ATOM 564 CA SER A 45 -7.960 11.456 12.227 1.00 0.00 C ATOM 565 C SER A 45 -8.012 11.016 10.761 1.00 0.00 C ATOM 566 O SER A 45 -7.869 9.850 10.449 1.00 0.00 O ATOM 567 CB SER A 45 -9.362 11.382 12.830 1.00 0.00 C ATOM 568 OG SER A 45 -10.093 12.547 12.468 1.00 0.00 O ATOM 0 H SER A 45 -8.172 13.559 12.509 1.00 0.00 H new ATOM 0 HA SER A 45 -7.289 10.797 12.779 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.877 10.490 12.473 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.299 11.301 13.915 1.00 0.00 H new ATOM 0 HG SER A 45 -10.993 12.501 12.852 1.00 0.00 H new ATOM 574 N LEU A 46 -8.219 11.939 9.861 1.00 0.00 N ATOM 575 CA LEU A 46 -8.284 11.575 8.416 1.00 0.00 C ATOM 576 C LEU A 46 -7.177 10.569 8.088 1.00 0.00 C ATOM 577 O LEU A 46 -7.423 9.531 7.506 1.00 0.00 O ATOM 578 CB LEU A 46 -8.096 12.832 7.564 1.00 0.00 C ATOM 579 CG LEU A 46 -8.805 12.649 6.220 1.00 0.00 C ATOM 580 CD1 LEU A 46 -8.431 11.288 5.629 1.00 0.00 C ATOM 581 CD2 LEU A 46 -10.320 12.715 6.428 1.00 0.00 C ATOM 0 H LEU A 46 -8.346 12.930 10.064 1.00 0.00 H new ATOM 0 HA LEU A 46 -9.255 11.129 8.200 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.499 13.701 8.085 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.034 13.021 7.404 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.498 13.440 5.536 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.935 11.156 4.672 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.352 11.240 5.481 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.739 10.497 6.313 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.825 12.585 5.471 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.628 11.924 7.111 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.587 13.684 6.850 1.00 0.00 H new ATOM 593 N LYS A 47 -5.960 10.868 8.455 1.00 0.00 N ATOM 594 CA LYS A 47 -4.839 9.930 8.161 1.00 0.00 C ATOM 595 C LYS A 47 -5.192 8.526 8.665 1.00 0.00 C ATOM 596 O LYS A 47 -5.281 7.584 7.898 1.00 0.00 O ATOM 597 CB LYS A 47 -3.569 10.419 8.862 1.00 0.00 C ATOM 598 CG LYS A 47 -2.371 10.262 7.921 1.00 0.00 C ATOM 599 CD LYS A 47 -1.465 11.490 8.039 1.00 0.00 C ATOM 600 CE LYS A 47 -0.704 11.696 6.729 1.00 0.00 C ATOM 601 NZ LYS A 47 -0.821 13.121 6.308 1.00 0.00 N ATOM 0 H LYS A 47 -5.694 11.722 8.946 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.672 9.894 7.084 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.681 11.463 9.153 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.404 9.849 9.776 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.813 9.360 8.172 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.715 10.148 6.893 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.061 12.373 8.267 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.763 11.358 8.862 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.345 11.428 6.859 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.106 11.042 5.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.304 13.263 5.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.823 13.361 6.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.417 13.735 7.044 1.00 0.00 H new ATOM 615 N ALA A 48 -5.391 8.373 9.947 1.00 0.00 N ATOM 616 CA ALA A 48 -5.734 7.026 10.480 1.00 0.00 C ATOM 617 C ALA A 48 -6.869 6.429 9.656 1.00 0.00 C ATOM 618 O ALA A 48 -6.771 5.317 9.183 1.00 0.00 O ATOM 619 CB ALA A 48 -6.164 7.132 11.938 1.00 0.00 C ATOM 0 H ALA A 48 -5.331 9.117 10.642 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.856 6.383 10.416 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.412 6.141 12.317 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -5.350 7.552 12.528 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.038 7.779 12.013 1.00 0.00 H new ATOM 625 N MET A 49 -7.948 7.148 9.462 1.00 0.00 N ATOM 626 CA MET A 49 -9.055 6.576 8.643 1.00 0.00 C ATOM 627 C MET A 49 -8.429 5.973 7.387 1.00 0.00 C ATOM 628 O MET A 49 -8.697 4.846 7.028 1.00 0.00 O ATOM 629 CB MET A 49 -10.065 7.670 8.254 1.00 0.00 C ATOM 630 CG MET A 49 -11.450 7.078 7.905 1.00 0.00 C ATOM 631 SD MET A 49 -11.339 5.308 7.490 1.00 0.00 S ATOM 632 CE MET A 49 -12.009 5.411 5.814 1.00 0.00 C ATOM 0 H MET A 49 -8.107 8.087 9.828 1.00 0.00 H new ATOM 0 HA MET A 49 -9.592 5.818 9.213 1.00 0.00 H new ATOM 0 HB2 MET A 49 -10.169 8.377 9.077 1.00 0.00 H new ATOM 0 HB3 MET A 49 -9.683 8.229 7.400 1.00 0.00 H new ATOM 0 HG2 MET A 49 -12.127 7.212 8.749 1.00 0.00 H new ATOM 0 HG3 MET A 49 -11.878 7.623 7.064 1.00 0.00 H new ATOM 0 HE1 MET A 49 -12.029 4.416 5.369 1.00 0.00 H new ATOM 0 HE2 MET A 49 -13.022 5.813 5.851 1.00 0.00 H new ATOM 0 HE3 MET A 49 -11.381 6.066 5.211 1.00 0.00 H new ATOM 642 N ALA A 50 -7.553 6.696 6.740 1.00 0.00 N ATOM 643 CA ALA A 50 -6.883 6.123 5.546 1.00 0.00 C ATOM 644 C ALA A 50 -6.333 4.758 5.960 1.00 0.00 C ATOM 645 O ALA A 50 -6.644 3.745 5.368 1.00 0.00 O ATOM 646 CB ALA A 50 -5.743 7.042 5.100 1.00 0.00 C ATOM 0 H ALA A 50 -7.278 7.647 6.986 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.578 6.023 4.712 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.255 6.617 4.223 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.144 8.025 4.851 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.018 7.140 5.908 1.00 0.00 H new ATOM 652 N VAL A 51 -5.548 4.726 7.006 1.00 0.00 N ATOM 653 CA VAL A 51 -5.012 3.441 7.500 1.00 0.00 C ATOM 654 C VAL A 51 -6.155 2.424 7.510 1.00 0.00 C ATOM 655 O VAL A 51 -6.111 1.397 6.850 1.00 0.00 O ATOM 656 CB VAL A 51 -4.499 3.660 8.930 1.00 0.00 C ATOM 657 CG1 VAL A 51 -3.810 2.401 9.445 1.00 0.00 C ATOM 658 CG2 VAL A 51 -3.509 4.825 8.942 1.00 0.00 C ATOM 0 H VAL A 51 -5.258 5.547 7.538 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.201 3.077 6.869 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.345 3.888 9.578 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.452 2.572 10.460 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.518 1.573 9.445 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.967 2.157 8.799 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.144 4.982 9.957 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.669 4.596 8.286 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.007 5.729 8.592 1.00 0.00 H new ATOM 668 N ALA A 52 -7.195 2.718 8.243 1.00 0.00 N ATOM 669 CA ALA A 52 -8.354 1.795 8.288 1.00 0.00 C ATOM 670 C ALA A 52 -8.776 1.487 6.852 1.00 0.00 C ATOM 671 O ALA A 52 -8.976 0.346 6.484 1.00 0.00 O ATOM 672 CB ALA A 52 -9.504 2.457 9.048 1.00 0.00 C ATOM 0 H ALA A 52 -7.288 3.560 8.812 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.087 0.870 8.800 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.356 1.778 9.081 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -9.184 2.687 10.064 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -9.793 3.378 8.541 1.00 0.00 H new ATOM 678 N ALA A 53 -8.884 2.496 6.025 1.00 0.00 N ATOM 679 CA ALA A 53 -9.257 2.250 4.606 1.00 0.00 C ATOM 680 C ALA A 53 -8.285 1.217 4.049 1.00 0.00 C ATOM 681 O ALA A 53 -8.679 0.220 3.480 1.00 0.00 O ATOM 682 CB ALA A 53 -9.145 3.549 3.806 1.00 0.00 C ATOM 0 H ALA A 53 -8.730 3.473 6.273 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.284 1.891 4.536 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.419 3.362 2.768 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.816 4.296 4.230 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.120 3.916 3.850 1.00 0.00 H new ATOM 688 N GLN A 54 -7.009 1.436 4.244 1.00 0.00 N ATOM 689 CA GLN A 54 -6.001 0.453 3.766 1.00 0.00 C ATOM 690 C GLN A 54 -6.487 -0.935 4.162 1.00 0.00 C ATOM 691 O GLN A 54 -6.392 -1.880 3.408 1.00 0.00 O ATOM 692 CB GLN A 54 -4.655 0.757 4.435 1.00 0.00 C ATOM 693 CG GLN A 54 -3.511 0.074 3.678 1.00 0.00 C ATOM 694 CD GLN A 54 -3.707 0.219 2.167 1.00 0.00 C ATOM 695 OE1 GLN A 54 -4.261 -0.655 1.528 1.00 0.00 O ATOM 696 NE2 GLN A 54 -3.274 1.292 1.566 1.00 0.00 N ATOM 0 H GLN A 54 -6.625 2.256 4.715 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.874 0.508 2.685 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -4.490 1.834 4.460 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.671 0.413 5.469 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.558 0.515 3.971 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -3.469 -0.982 3.946 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -2.809 2.025 2.102 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -3.400 1.399 0.559 1.00 0.00 H new ATOM 705 N VAL A 55 -7.036 -1.052 5.339 1.00 0.00 N ATOM 706 CA VAL A 55 -7.562 -2.371 5.789 1.00 0.00 C ATOM 707 C VAL A 55 -8.762 -2.768 4.917 1.00 0.00 C ATOM 708 O VAL A 55 -8.985 -3.927 4.633 1.00 0.00 O ATOM 709 CB VAL A 55 -8.015 -2.268 7.247 1.00 0.00 C ATOM 710 CG1 VAL A 55 -8.075 -3.666 7.861 1.00 0.00 C ATOM 711 CG2 VAL A 55 -7.024 -1.408 8.036 1.00 0.00 C ATOM 0 H VAL A 55 -7.143 -0.291 6.009 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.778 -3.123 5.699 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.003 -1.809 7.286 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.398 -3.594 8.900 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.783 -4.278 7.303 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.087 -4.125 7.819 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.350 -1.337 9.074 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.035 -1.864 7.997 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.981 -0.410 7.600 1.00 0.00 H new ATOM 721 N HIS A 56 -9.543 -1.813 4.494 1.00 0.00 N ATOM 722 CA HIS A 56 -10.731 -2.138 3.650 1.00 0.00 C ATOM 723 C HIS A 56 -10.300 -2.310 2.191 1.00 0.00 C ATOM 724 O HIS A 56 -10.861 -3.101 1.459 1.00 0.00 O ATOM 725 CB HIS A 56 -11.746 -0.995 3.754 1.00 0.00 C ATOM 726 CG HIS A 56 -13.065 -1.436 3.185 1.00 0.00 C ATOM 727 ND1 HIS A 56 -13.964 -0.540 2.635 1.00 0.00 N ATOM 728 CD2 HIS A 56 -13.651 -2.672 3.076 1.00 0.00 C ATOM 729 CE1 HIS A 56 -15.037 -1.241 2.225 1.00 0.00 C ATOM 730 NE2 HIS A 56 -14.898 -2.547 2.469 1.00 0.00 N ATOM 0 H HIS A 56 -9.412 -0.822 4.695 1.00 0.00 H new ATOM 0 HA HIS A 56 -11.183 -3.066 3.999 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.869 -0.699 4.796 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -11.380 -0.121 3.215 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -13.212 -3.600 3.410 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -15.905 -0.801 1.756 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -15.562 -3.292 2.257 1.00 0.00 H new ATOM 738 N ARG A 57 -9.304 -1.586 1.760 1.00 0.00 N ATOM 739 CA ARG A 57 -8.844 -1.729 0.352 1.00 0.00 C ATOM 740 C ARG A 57 -8.025 -3.013 0.236 1.00 0.00 C ATOM 741 O ARG A 57 -8.092 -3.721 -0.749 1.00 0.00 O ATOM 742 CB ARG A 57 -7.981 -0.525 -0.036 1.00 0.00 C ATOM 743 CG ARG A 57 -7.739 -0.539 -1.548 1.00 0.00 C ATOM 744 CD ARG A 57 -8.941 0.081 -2.264 1.00 0.00 C ATOM 745 NE ARG A 57 -9.131 -0.588 -3.582 1.00 0.00 N ATOM 746 CZ ARG A 57 -10.336 -0.863 -4.007 1.00 0.00 C ATOM 747 NH1 ARG A 57 -11.255 0.061 -4.005 1.00 0.00 N ATOM 748 NH2 ARG A 57 -10.616 -2.063 -4.435 1.00 0.00 N ATOM 0 H ARG A 57 -8.791 -0.905 2.320 1.00 0.00 H new ATOM 0 HA ARG A 57 -9.703 -1.774 -0.318 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.477 0.401 0.256 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.030 -0.559 0.496 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.833 0.018 -1.787 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.585 -1.561 -1.893 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.838 -0.030 -1.655 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.782 1.150 -2.406 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.321 -0.831 -4.152 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.034 0.999 -3.672 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.195 -0.154 -4.337 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.895 -2.785 -4.438 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.556 -2.280 -4.767 1.00 0.00 H new ATOM 762 N GLU A 58 -7.259 -3.326 1.246 1.00 0.00 N ATOM 763 CA GLU A 58 -6.448 -4.572 1.205 1.00 0.00 C ATOM 764 C GLU A 58 -7.363 -5.766 1.474 1.00 0.00 C ATOM 765 O GLU A 58 -7.382 -6.727 0.729 1.00 0.00 O ATOM 766 CB GLU A 58 -5.362 -4.515 2.281 1.00 0.00 C ATOM 767 CG GLU A 58 -4.001 -4.815 1.654 1.00 0.00 C ATOM 768 CD GLU A 58 -4.112 -6.042 0.748 1.00 0.00 C ATOM 769 OE1 GLU A 58 -3.976 -7.143 1.255 1.00 0.00 O ATOM 770 OE2 GLU A 58 -4.332 -5.860 -0.439 1.00 0.00 O ATOM 0 H GLU A 58 -7.161 -2.772 2.097 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.979 -4.673 0.226 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.349 -3.530 2.747 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.578 -5.237 3.068 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.657 -3.956 1.078 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.261 -4.993 2.434 1.00 0.00 H new ATOM 777 N TYR A 59 -8.126 -5.708 2.530 1.00 0.00 N ATOM 778 CA TYR A 59 -9.047 -6.834 2.844 1.00 0.00 C ATOM 779 C TYR A 59 -10.493 -6.371 2.673 1.00 0.00 C ATOM 780 O TYR A 59 -10.767 -5.223 2.392 1.00 0.00 O ATOM 781 CB TYR A 59 -8.858 -7.273 4.298 1.00 0.00 C ATOM 782 CG TYR A 59 -7.408 -7.169 4.702 1.00 0.00 C ATOM 783 CD1 TYR A 59 -6.552 -8.256 4.508 1.00 0.00 C ATOM 784 CD2 TYR A 59 -6.925 -5.993 5.289 1.00 0.00 C ATOM 785 CE1 TYR A 59 -5.211 -8.168 4.897 1.00 0.00 C ATOM 786 CE2 TYR A 59 -5.586 -5.905 5.682 1.00 0.00 C ATOM 787 CZ TYR A 59 -4.727 -6.993 5.485 1.00 0.00 C ATOM 788 OH TYR A 59 -3.404 -6.908 5.871 1.00 0.00 O ATOM 0 H TYR A 59 -8.151 -4.929 3.189 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.828 -7.663 2.171 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.469 -6.652 4.953 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -9.202 -8.300 4.421 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.925 -9.164 4.058 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.587 -5.153 5.438 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -4.549 -9.007 4.744 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.215 -4.999 6.137 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.896 -6.418 5.191 1.00 0.00 H new ATOM 798 N GLN A 60 -11.415 -7.258 2.895 1.00 0.00 N ATOM 799 CA GLN A 60 -12.856 -6.905 2.811 1.00 0.00 C ATOM 800 C GLN A 60 -13.381 -6.942 4.239 1.00 0.00 C ATOM 801 O GLN A 60 -14.455 -7.434 4.522 1.00 0.00 O ATOM 802 CB GLN A 60 -13.601 -7.930 1.950 1.00 0.00 C ATOM 803 CG GLN A 60 -13.373 -9.332 2.518 1.00 0.00 C ATOM 804 CD GLN A 60 -12.242 -10.018 1.749 1.00 0.00 C ATOM 805 OE1 GLN A 60 -12.113 -9.846 0.553 1.00 0.00 O ATOM 806 NE2 GLN A 60 -11.409 -10.791 2.390 1.00 0.00 N ATOM 0 H GLN A 60 -11.229 -8.231 3.136 1.00 0.00 H new ATOM 0 HA GLN A 60 -13.002 -5.925 2.356 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -14.667 -7.701 1.933 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -13.248 -7.881 0.920 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.122 -9.270 3.577 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -14.288 -9.920 2.441 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -11.517 -10.936 3.394 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -10.650 -11.251 1.887 1.00 0.00 H new ATOM 815 N VAL A 61 -12.584 -6.444 5.141 1.00 0.00 N ATOM 816 CA VAL A 61 -12.946 -6.447 6.581 1.00 0.00 C ATOM 817 C VAL A 61 -13.635 -5.133 6.943 1.00 0.00 C ATOM 818 O VAL A 61 -13.127 -4.059 6.684 1.00 0.00 O ATOM 819 CB VAL A 61 -11.653 -6.593 7.387 1.00 0.00 C ATOM 820 CG1 VAL A 61 -10.661 -5.509 6.951 1.00 0.00 C ATOM 821 CG2 VAL A 61 -11.942 -6.444 8.879 1.00 0.00 C ATOM 0 H VAL A 61 -11.677 -6.026 4.934 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.628 -7.268 6.802 1.00 0.00 H new ATOM 0 HB VAL A 61 -11.229 -7.580 7.205 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -9.738 -5.609 7.523 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -10.444 -5.621 5.889 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -11.095 -4.525 7.131 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -11.014 -6.550 9.442 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -12.372 -5.461 9.070 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.646 -7.215 9.192 1.00 0.00 H new ATOM 831 N GLU A 62 -14.793 -5.209 7.538 1.00 0.00 N ATOM 832 CA GLU A 62 -15.518 -3.965 7.914 1.00 0.00 C ATOM 833 C GLU A 62 -14.802 -3.283 9.078 1.00 0.00 C ATOM 834 O GLU A 62 -14.995 -3.622 10.228 1.00 0.00 O ATOM 835 CB GLU A 62 -16.949 -4.306 8.324 1.00 0.00 C ATOM 836 CG GLU A 62 -17.860 -3.120 7.999 1.00 0.00 C ATOM 837 CD GLU A 62 -19.307 -3.600 7.888 1.00 0.00 C ATOM 838 OE1 GLU A 62 -19.655 -4.541 8.582 1.00 0.00 O ATOM 839 OE2 GLU A 62 -20.045 -3.019 7.108 1.00 0.00 O ATOM 0 H GLU A 62 -15.268 -6.079 7.780 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.539 -3.291 7.058 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -17.289 -5.197 7.796 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.991 -4.531 9.390 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -17.777 -2.361 8.777 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.548 -2.654 7.064 1.00 0.00 H new ATOM 846 N LEU A 63 -13.980 -2.314 8.784 1.00 0.00 N ATOM 847 CA LEU A 63 -13.252 -1.592 9.864 1.00 0.00 C ATOM 848 C LEU A 63 -13.775 -0.153 9.931 1.00 0.00 C ATOM 849 O LEU A 63 -13.421 0.667 9.108 1.00 0.00 O ATOM 850 CB LEU A 63 -11.754 -1.580 9.550 1.00 0.00 C ATOM 851 CG LEU A 63 -10.976 -2.070 10.772 1.00 0.00 C ATOM 852 CD1 LEU A 63 -9.587 -2.541 10.341 1.00 0.00 C ATOM 853 CD2 LEU A 63 -10.833 -0.923 11.772 1.00 0.00 C ATOM 0 H LEU A 63 -13.781 -1.990 7.838 1.00 0.00 H new ATOM 0 HA LEU A 63 -13.412 -2.090 10.820 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.546 -2.219 8.692 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.435 -0.573 9.282 1.00 0.00 H new ATOM 0 HG LEU A 63 -11.512 -2.898 11.235 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.034 -2.890 11.213 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.685 -3.356 9.624 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.050 -1.713 9.878 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.279 -1.268 12.645 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.296 -0.098 11.305 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.822 -0.584 12.081 1.00 0.00 H new ATOM 865 N PRO A 64 -14.616 0.107 10.900 1.00 0.00 N ATOM 866 CA PRO A 64 -15.222 1.436 11.084 1.00 0.00 C ATOM 867 C PRO A 64 -14.243 2.385 11.777 1.00 0.00 C ATOM 868 O PRO A 64 -13.295 1.963 12.413 1.00 0.00 O ATOM 869 CB PRO A 64 -16.432 1.157 11.977 1.00 0.00 C ATOM 870 CG PRO A 64 -16.137 -0.173 12.713 1.00 0.00 C ATOM 871 CD PRO A 64 -15.042 -0.892 11.902 1.00 0.00 C ATOM 0 HA PRO A 64 -15.491 1.916 10.143 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -16.585 1.969 12.688 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -17.343 1.078 11.383 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.803 0.015 13.733 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -17.036 -0.786 12.780 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.211 -1.197 12.538 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -15.427 -1.794 11.426 1.00 0.00 H new ATOM 879 N LEU A 65 -14.466 3.665 11.663 1.00 0.00 N ATOM 880 CA LEU A 65 -13.552 4.640 12.317 1.00 0.00 C ATOM 881 C LEU A 65 -13.587 4.416 13.829 1.00 0.00 C ATOM 882 O LEU A 65 -12.564 4.377 14.483 1.00 0.00 O ATOM 883 CB LEU A 65 -14.009 6.067 12.000 1.00 0.00 C ATOM 884 CG LEU A 65 -13.320 6.568 10.726 1.00 0.00 C ATOM 885 CD1 LEU A 65 -11.865 6.925 11.030 1.00 0.00 C ATOM 886 CD2 LEU A 65 -13.354 5.476 9.657 1.00 0.00 C ATOM 0 H LEU A 65 -15.242 4.077 11.145 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.537 4.499 11.946 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -15.091 6.091 11.871 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -13.773 6.727 12.835 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.845 7.452 10.364 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.380 7.281 10.121 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -11.833 7.708 11.788 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.343 6.042 11.398 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.863 5.836 8.753 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -12.834 4.591 10.024 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -14.389 5.221 9.431 1.00 0.00 H new ATOM 898 N LYS A 66 -14.756 4.262 14.394 1.00 0.00 N ATOM 899 CA LYS A 66 -14.834 4.036 15.861 1.00 0.00 C ATOM 900 C LYS A 66 -13.906 2.879 16.232 1.00 0.00 C ATOM 901 O LYS A 66 -13.159 2.954 17.188 1.00 0.00 O ATOM 902 CB LYS A 66 -16.273 3.704 16.269 1.00 0.00 C ATOM 903 CG LYS A 66 -16.819 2.587 15.381 1.00 0.00 C ATOM 904 CD LYS A 66 -18.337 2.496 15.556 1.00 0.00 C ATOM 905 CE LYS A 66 -19.004 2.386 14.184 1.00 0.00 C ATOM 906 NZ LYS A 66 -19.930 1.219 14.174 1.00 0.00 N ATOM 0 H LYS A 66 -15.651 4.283 13.905 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.526 4.940 16.387 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.302 3.397 17.314 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -16.900 4.591 16.180 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -16.573 2.784 14.337 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -16.354 1.637 15.645 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -18.592 1.630 16.166 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -18.706 3.376 16.082 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -19.552 3.301 13.960 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.247 2.270 13.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -20.384 1.144 13.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -19.394 0.349 14.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -20.659 1.348 14.904 1.00 0.00 H new ATOM 920 N VAL A 67 -13.924 1.816 15.471 1.00 0.00 N ATOM 921 CA VAL A 67 -13.018 0.676 15.779 1.00 0.00 C ATOM 922 C VAL A 67 -11.590 1.219 15.811 1.00 0.00 C ATOM 923 O VAL A 67 -10.809 0.900 16.686 1.00 0.00 O ATOM 924 CB VAL A 67 -13.166 -0.411 14.695 1.00 0.00 C ATOM 925 CG1 VAL A 67 -11.837 -1.144 14.471 1.00 0.00 C ATOM 926 CG2 VAL A 67 -14.218 -1.426 15.141 1.00 0.00 C ATOM 0 H VAL A 67 -14.523 1.690 14.655 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.266 0.226 16.740 1.00 0.00 H new ATOM 0 HB VAL A 67 -13.467 0.069 13.764 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.967 -1.906 13.702 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.078 -0.431 14.151 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.521 -1.617 15.401 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -14.326 -2.197 14.378 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -13.906 -1.885 16.079 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -15.173 -0.921 15.285 1.00 0.00 H new ATOM 936 N LEU A 68 -11.253 2.058 14.870 1.00 0.00 N ATOM 937 CA LEU A 68 -9.888 2.645 14.851 1.00 0.00 C ATOM 938 C LEU A 68 -9.683 3.425 16.152 1.00 0.00 C ATOM 939 O LEU A 68 -8.573 3.606 16.613 1.00 0.00 O ATOM 940 CB LEU A 68 -9.750 3.582 13.645 1.00 0.00 C ATOM 941 CG LEU A 68 -8.279 3.691 13.235 1.00 0.00 C ATOM 942 CD1 LEU A 68 -8.039 2.853 11.981 1.00 0.00 C ATOM 943 CD2 LEU A 68 -7.939 5.152 12.931 1.00 0.00 C ATOM 0 H LEU A 68 -11.866 2.361 14.114 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.136 1.860 14.768 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -10.342 3.205 12.811 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -10.141 4.569 13.893 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.650 3.329 14.048 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.992 2.929 11.687 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.283 1.811 12.188 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.670 3.220 11.172 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.892 5.229 12.639 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.570 5.511 12.117 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.113 5.759 13.820 1.00 0.00 H new ATOM 955 N PHE A 69 -10.754 3.873 16.758 1.00 0.00 N ATOM 956 CA PHE A 69 -10.631 4.623 18.042 1.00 0.00 C ATOM 957 C PHE A 69 -10.626 3.625 19.200 1.00 0.00 C ATOM 958 O PHE A 69 -9.899 3.776 20.162 1.00 0.00 O ATOM 959 CB PHE A 69 -11.813 5.580 18.206 1.00 0.00 C ATOM 960 CG PHE A 69 -11.477 6.914 17.582 1.00 0.00 C ATOM 961 CD1 PHE A 69 -11.722 7.132 16.220 1.00 0.00 C ATOM 962 CD2 PHE A 69 -10.924 7.935 18.366 1.00 0.00 C ATOM 963 CE1 PHE A 69 -11.413 8.369 15.643 1.00 0.00 C ATOM 964 CE2 PHE A 69 -10.617 9.172 17.788 1.00 0.00 C ATOM 965 CZ PHE A 69 -10.861 9.389 16.426 1.00 0.00 C ATOM 0 H PHE A 69 -11.708 3.751 16.418 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.705 5.199 18.037 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -12.702 5.160 17.734 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -12.044 5.710 19.263 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -12.149 6.346 15.615 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -10.735 7.767 19.416 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -11.601 8.536 14.593 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -10.192 9.960 18.392 1.00 0.00 H new ATOM 0 HZ PHE A 69 -10.623 10.343 15.980 1.00 0.00 H new ATOM 975 N ALA A 70 -11.428 2.597 19.109 1.00 0.00 N ATOM 976 CA ALA A 70 -11.466 1.575 20.194 1.00 0.00 C ATOM 977 C ALA A 70 -10.130 0.844 20.217 1.00 0.00 C ATOM 978 O ALA A 70 -9.664 0.389 21.243 1.00 0.00 O ATOM 979 CB ALA A 70 -12.570 0.556 19.902 1.00 0.00 C ATOM 0 H ALA A 70 -12.060 2.421 18.328 1.00 0.00 H new ATOM 0 HA ALA A 70 -11.658 2.062 21.150 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.596 -0.190 20.696 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -13.532 1.066 19.852 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -12.369 0.065 18.950 1.00 0.00 H new ATOM 985 N GLN A 71 -9.530 0.714 19.073 1.00 0.00 N ATOM 986 CA GLN A 71 -8.233 -0.006 18.970 1.00 0.00 C ATOM 987 C GLN A 71 -7.400 0.702 17.902 1.00 0.00 C ATOM 988 O GLN A 71 -7.208 0.186 16.818 1.00 0.00 O ATOM 989 CB GLN A 71 -8.485 -1.471 18.560 1.00 0.00 C ATOM 990 CG GLN A 71 -9.995 -1.717 18.400 1.00 0.00 C ATOM 991 CD GLN A 71 -10.310 -3.202 18.537 1.00 0.00 C ATOM 992 OE1 GLN A 71 -9.476 -4.045 18.279 1.00 0.00 O ATOM 993 NE2 GLN A 71 -11.500 -3.553 18.942 1.00 0.00 N ATOM 0 H GLN A 71 -9.887 1.081 18.191 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.709 -0.003 19.926 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -7.971 -1.690 17.624 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.076 -2.144 19.313 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.544 -1.152 19.153 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.327 -1.357 17.426 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.196 -2.840 19.157 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.734 -4.541 19.043 1.00 0.00 H new ATOM 1002 N PRO A 72 -6.961 1.887 18.237 1.00 0.00 N ATOM 1003 CA PRO A 72 -6.178 2.733 17.325 1.00 0.00 C ATOM 1004 C PRO A 72 -4.726 2.267 17.221 1.00 0.00 C ATOM 1005 O PRO A 72 -3.810 3.048 17.391 1.00 0.00 O ATOM 1006 CB PRO A 72 -6.250 4.122 17.968 1.00 0.00 C ATOM 1007 CG PRO A 72 -6.582 3.897 19.461 1.00 0.00 C ATOM 1008 CD PRO A 72 -7.201 2.491 19.565 1.00 0.00 C ATOM 0 HA PRO A 72 -6.566 2.706 16.307 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.303 4.651 17.856 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.015 4.733 17.488 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.683 3.971 20.074 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.278 4.655 19.822 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.733 1.908 20.358 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -8.266 2.541 19.793 1.00 0.00 H new ATOM 1016 N THR A 73 -4.491 1.022 16.921 1.00 0.00 N ATOM 1017 CA THR A 73 -3.080 0.574 16.791 1.00 0.00 C ATOM 1018 C THR A 73 -2.972 -0.612 15.819 1.00 0.00 C ATOM 1019 O THR A 73 -3.962 -1.203 15.439 1.00 0.00 O ATOM 1020 CB THR A 73 -2.540 0.196 18.161 1.00 0.00 C ATOM 1021 OG1 THR A 73 -1.219 -0.278 18.013 1.00 0.00 O ATOM 1022 CG2 THR A 73 -3.424 -0.879 18.783 1.00 0.00 C ATOM 0 H THR A 73 -5.201 0.307 16.763 1.00 0.00 H new ATOM 0 HA THR A 73 -2.484 1.392 16.386 1.00 0.00 H new ATOM 0 HB THR A 73 -2.541 1.066 18.818 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.662 0.424 17.617 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.034 -1.148 19.765 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.440 -0.499 18.888 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.431 -1.760 18.142 1.00 0.00 H new ATOM 1030 N ILE A 74 -1.775 -0.963 15.406 1.00 0.00 N ATOM 1031 CA ILE A 74 -1.622 -2.105 14.449 1.00 0.00 C ATOM 1032 C ILE A 74 -1.980 -3.420 15.142 1.00 0.00 C ATOM 1033 O ILE A 74 -2.880 -4.119 14.730 1.00 0.00 O ATOM 1034 CB ILE A 74 -0.178 -2.200 13.934 1.00 0.00 C ATOM 1035 CG1 ILE A 74 0.354 -0.811 13.577 1.00 0.00 C ATOM 1036 CG2 ILE A 74 -0.144 -3.079 12.683 1.00 0.00 C ATOM 1037 CD1 ILE A 74 1.826 -0.927 13.180 1.00 0.00 C ATOM 0 H ILE A 74 -0.905 -0.512 15.688 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.293 -1.928 13.608 1.00 0.00 H new ATOM 0 HB ILE A 74 0.445 -2.632 14.717 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.224 -0.386 12.757 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.245 -0.137 14.427 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.880 -3.148 12.315 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.510 -4.076 12.929 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.778 -2.640 11.912 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.213 0.059 12.924 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.397 -1.335 14.014 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.919 -1.588 12.318 1.00 0.00 H new ATOM 1049 N LYS A 75 -1.274 -3.768 16.180 1.00 0.00 N ATOM 1050 CA LYS A 75 -1.567 -5.046 16.889 1.00 0.00 C ATOM 1051 C LYS A 75 -3.079 -5.222 17.020 1.00 0.00 C ATOM 1052 O LYS A 75 -3.644 -6.199 16.571 1.00 0.00 O ATOM 1053 CB LYS A 75 -0.938 -5.011 18.283 1.00 0.00 C ATOM 1054 CG LYS A 75 -0.580 -6.435 18.714 1.00 0.00 C ATOM 1055 CD LYS A 75 -1.832 -7.143 19.232 1.00 0.00 C ATOM 1056 CE LYS A 75 -1.541 -7.759 20.602 1.00 0.00 C ATOM 1057 NZ LYS A 75 -1.562 -9.245 20.492 1.00 0.00 N ATOM 0 H LYS A 75 -0.505 -3.223 16.570 1.00 0.00 H new ATOM 0 HA LYS A 75 -1.151 -5.879 16.322 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.045 -4.386 18.276 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.632 -4.567 18.996 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.160 -6.986 17.872 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.184 -6.410 19.491 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.658 -6.435 19.308 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.140 -7.919 18.531 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.569 -7.424 20.964 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.284 -7.427 21.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.364 -9.665 21.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.499 -9.556 20.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.838 -9.553 19.812 1.00 0.00 H new ATOM 1071 N ALA A 76 -3.736 -4.285 17.641 1.00 0.00 N ATOM 1072 CA ALA A 76 -5.211 -4.393 17.814 1.00 0.00 C ATOM 1073 C ALA A 76 -5.910 -4.342 16.451 1.00 0.00 C ATOM 1074 O ALA A 76 -6.501 -5.308 16.013 1.00 0.00 O ATOM 1075 CB ALA A 76 -5.696 -3.236 18.684 1.00 0.00 C ATOM 0 H ALA A 76 -3.314 -3.445 18.038 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.449 -5.343 18.293 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.776 -3.308 18.816 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.208 -3.283 19.657 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.451 -2.290 18.201 1.00 0.00 H new ATOM 1081 N LEU A 77 -5.853 -3.223 15.777 1.00 0.00 N ATOM 1082 CA LEU A 77 -6.522 -3.118 14.448 1.00 0.00 C ATOM 1083 C LEU A 77 -6.153 -4.334 13.599 1.00 0.00 C ATOM 1084 O LEU A 77 -6.993 -5.147 13.264 1.00 0.00 O ATOM 1085 CB LEU A 77 -6.058 -1.846 13.740 1.00 0.00 C ATOM 1086 CG LEU A 77 -7.190 -1.302 12.874 1.00 0.00 C ATOM 1087 CD1 LEU A 77 -7.672 0.029 13.450 1.00 0.00 C ATOM 1088 CD2 LEU A 77 -6.680 -1.082 11.449 1.00 0.00 C ATOM 0 H LEU A 77 -5.373 -2.379 16.089 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.602 -3.082 14.587 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.756 -1.099 14.474 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.185 -2.059 13.124 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.014 -2.015 12.860 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.481 0.421 12.833 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.032 -0.124 14.467 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.847 0.741 13.461 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.488 -0.693 10.829 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.857 -0.367 11.463 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.330 -2.029 11.037 1.00 0.00 H new ATOM 1100 N ALA A 78 -4.900 -4.467 13.258 1.00 0.00 N ATOM 1101 CA ALA A 78 -4.469 -5.636 12.443 1.00 0.00 C ATOM 1102 C ALA A 78 -5.142 -6.889 12.999 1.00 0.00 C ATOM 1103 O ALA A 78 -5.678 -7.696 12.268 1.00 0.00 O ATOM 1104 CB ALA A 78 -2.949 -5.787 12.526 1.00 0.00 C ATOM 0 H ALA A 78 -4.156 -3.816 13.509 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.753 -5.491 11.401 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.635 -6.643 11.929 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.472 -4.884 12.144 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.655 -5.941 13.564 1.00 0.00 H new ATOM 1110 N GLN A 79 -5.135 -7.044 14.295 1.00 0.00 N ATOM 1111 CA GLN A 79 -5.792 -8.228 14.908 1.00 0.00 C ATOM 1112 C GLN A 79 -7.287 -8.175 14.573 1.00 0.00 C ATOM 1113 O GLN A 79 -7.901 -9.176 14.267 1.00 0.00 O ATOM 1114 CB GLN A 79 -5.568 -8.187 16.427 1.00 0.00 C ATOM 1115 CG GLN A 79 -6.733 -8.847 17.173 1.00 0.00 C ATOM 1116 CD GLN A 79 -6.776 -10.337 16.838 1.00 0.00 C ATOM 1117 OE1 GLN A 79 -6.110 -10.788 15.926 1.00 0.00 O ATOM 1118 NE2 GLN A 79 -7.535 -11.128 17.545 1.00 0.00 N ATOM 0 H GLN A 79 -4.701 -6.399 14.955 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.373 -9.157 14.520 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -4.637 -8.697 16.675 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -5.461 -7.153 16.754 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.615 -8.709 18.248 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.673 -8.373 16.892 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.094 -10.749 18.310 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.570 -12.125 17.333 1.00 0.00 H new ATOM 1127 N TYR A 80 -7.870 -7.007 14.607 1.00 0.00 N ATOM 1128 CA TYR A 80 -9.316 -6.886 14.268 1.00 0.00 C ATOM 1129 C TYR A 80 -9.524 -7.436 12.856 1.00 0.00 C ATOM 1130 O TYR A 80 -10.532 -8.040 12.547 1.00 0.00 O ATOM 1131 CB TYR A 80 -9.727 -5.411 14.310 1.00 0.00 C ATOM 1132 CG TYR A 80 -11.152 -5.292 14.789 1.00 0.00 C ATOM 1133 CD1 TYR A 80 -12.163 -6.041 14.177 1.00 0.00 C ATOM 1134 CD2 TYR A 80 -11.464 -4.427 15.844 1.00 0.00 C ATOM 1135 CE1 TYR A 80 -13.485 -5.929 14.621 1.00 0.00 C ATOM 1136 CE2 TYR A 80 -12.787 -4.313 16.289 1.00 0.00 C ATOM 1137 CZ TYR A 80 -13.798 -5.064 15.678 1.00 0.00 C ATOM 1138 OH TYR A 80 -15.103 -4.952 16.115 1.00 0.00 O ATOM 0 H TYR A 80 -7.407 -6.132 14.855 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.921 -7.444 14.982 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -9.063 -4.858 14.974 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -9.628 -4.968 13.319 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -11.923 -6.706 13.361 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -10.684 -3.847 16.315 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -14.264 -6.509 14.149 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -13.027 -3.646 17.104 1.00 0.00 H new ATOM 0 HH TYR A 80 -15.146 -4.311 16.855 1.00 0.00 H new ATOM 1148 N VAL A 81 -8.553 -7.246 12.006 1.00 0.00 N ATOM 1149 CA VAL A 81 -8.658 -7.769 10.609 1.00 0.00 C ATOM 1150 C VAL A 81 -8.210 -9.220 10.618 1.00 0.00 C ATOM 1151 O VAL A 81 -8.981 -10.142 10.436 1.00 0.00 O ATOM 1152 CB VAL A 81 -7.709 -7.002 9.661 1.00 0.00 C ATOM 1153 CG1 VAL A 81 -8.473 -6.573 8.418 1.00 0.00 C ATOM 1154 CG2 VAL A 81 -7.133 -5.766 10.356 1.00 0.00 C ATOM 0 H VAL A 81 -7.687 -6.750 12.217 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.686 -7.654 10.266 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.887 -7.661 9.383 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.804 -6.032 7.749 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.862 -7.454 7.908 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.301 -5.925 8.705 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.468 -5.240 9.671 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.946 -5.103 10.652 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.575 -6.073 11.240 1.00 0.00 H new ATOM 1164 N ALA A 82 -6.948 -9.402 10.838 1.00 0.00 N ATOM 1165 CA ALA A 82 -6.353 -10.753 10.885 1.00 0.00 C ATOM 1166 C ALA A 82 -7.250 -11.699 11.684 1.00 0.00 C ATOM 1167 O ALA A 82 -7.376 -12.866 11.369 1.00 0.00 O ATOM 1168 CB ALA A 82 -4.994 -10.617 11.560 1.00 0.00 C ATOM 0 H ALA A 82 -6.283 -8.644 10.992 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.248 -11.167 9.882 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.516 -11.595 11.617 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.366 -9.940 10.981 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.126 -10.219 12.566 1.00 0.00 H new ATOM 1174 N THR A 83 -7.876 -11.211 12.717 1.00 0.00 N ATOM 1175 CA THR A 83 -8.760 -12.088 13.535 1.00 0.00 C ATOM 1176 C THR A 83 -9.913 -11.264 14.111 1.00 0.00 C ATOM 1177 O THR A 83 -9.809 -10.856 15.257 1.00 0.00 O ATOM 1178 CB THR A 83 -7.946 -12.700 14.676 1.00 0.00 C ATOM 1179 OG1 THR A 83 -6.601 -12.870 14.253 1.00 0.00 O ATOM 1180 CG2 THR A 83 -8.537 -14.056 15.062 1.00 0.00 C ATOM 0 H THR A 83 -7.814 -10.243 13.031 1.00 0.00 H new ATOM 0 HA THR A 83 -9.166 -12.882 12.909 1.00 0.00 H new ATOM 0 HB THR A 83 -7.977 -12.037 15.541 1.00 0.00 H new ATOM 0 HG1 THR A 83 -6.032 -12.208 14.698 1.00 0.00 H new ATOM 0 HG21 THR A 83 -7.954 -14.489 15.875 1.00 0.00 H new ATOM 0 HG22 THR A 83 -9.569 -13.924 15.386 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.509 -14.723 14.201 1.00 0.00 H new TER 1188 THR A 83