USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 830 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 50 SER OG : rot -172:sc= 0.116 USER MOD Set 1.2: A 54 ASN : amide:sc= -3.89 K(o=-3.8,f=-0.66) USER MOD Set 2.1: A 8 TYR OH : rot 86:sc= -0.673! USER MOD Set 2.2: A 40 TYR OH : rot -48:sc= 0.0673! USER MOD Set 3.1: A 6 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 14 GLN : amide:sc= -6.36! K(o=-25!,f=-17) USER MOD Set 3.3: A 18 SER OG : rot -28:sc= 0.323 USER MOD Set 3.4: A 32 HIS : no HD1:sc= -14.7! C(o=-25!,f=-19!) USER MOD Set 3.5: A 36 HIS : no HD1:sc= -1.37 K(o=-25,f=-19!) USER MOD Set 3.6: A 37 TYR OH : rot -119:sc= -3.22! USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -7.33! C(o=-7.3!,f=-4.5!) USER MOD Single : A 17 SER OG : rot -160:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.316 K(o=-0.32,f=-1.9!) USER MOD Single : A 23 GLN : amide:sc= -0.668 K(o=-0.67,f=-5.3!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -67:sc= -1.34! USER MOD Single : A 34 THR OG1 : rot 150:sc= -0.403 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 30:sc= -0.0408 USER MOD Single : A 42 THR OG1 : rot 72:sc= 0.00611 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -2.96! K(o=-3!,f=-2.3) USER MOD Single : A 49 ASN : amide:sc= -1 K(o=-1,f=-3.1!) USER MOD Single : A 53 HIS : no HD1:sc= -1.46 X(o=-1.5,f=-1.4) USER MOD Single : A 56 SER OG : rot 83:sc= 0.0763 USER MOD Single : A 58 ASN : amide:sc= -10! C(o=-10!,f=-8.6!) USER MOD Single : A 60 TYR OH : rot -113:sc= -4.27! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0.468 K(o=0.47,f=-9.6!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0.0375 USER MOD Single : A 83 SER OG : rot 180:sc= -0.178 USER MOD Single : A 86 LYS NZ :NH3+ 141:sc= -0.241 (180deg=-1.37!) USER MOD Single : A 90 GLN : amide:sc= -0.893 K(o=-0.89,f=-0.076) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.0659 K(o=-0.066,f=-0.71) USER MOD Single : A 101 SER OG : rot 8:sc= 0.136 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 19.146 10.413 -6.786 1.00 0.00 N ATOM 2 CA GLU A 1 18.059 10.070 -5.827 1.00 0.00 C ATOM 3 C GLU A 1 16.705 10.412 -6.449 1.00 0.00 C ATOM 4 O GLU A 1 15.896 11.099 -5.857 1.00 0.00 O ATOM 5 CB GLU A 1 18.247 10.875 -4.539 1.00 0.00 C ATOM 6 CG GLU A 1 18.710 9.944 -3.417 1.00 0.00 C ATOM 7 CD GLU A 1 19.570 10.729 -2.425 1.00 0.00 C ATOM 8 OE1 GLU A 1 19.857 11.882 -2.703 1.00 0.00 O ATOM 9 OE2 GLU A 1 19.928 10.163 -1.405 1.00 0.00 O ATOM 0 H1 GLU A 1 20.068 10.181 -6.364 1.00 0.00 H new ATOM 0 H2 GLU A 1 19.020 9.868 -7.663 1.00 0.00 H new ATOM 0 H3 GLU A 1 19.111 11.430 -7.002 1.00 0.00 H new ATOM 0 HA GLU A 1 18.095 9.005 -5.600 1.00 0.00 H new ATOM 0 HB2 GLU A 1 18.981 11.666 -4.696 1.00 0.00 H new ATOM 0 HB3 GLU A 1 17.311 11.359 -4.261 1.00 0.00 H new ATOM 0 HG2 GLU A 1 17.848 9.515 -2.907 1.00 0.00 H new ATOM 0 HG3 GLU A 1 19.281 9.113 -3.832 1.00 0.00 H new ATOM 18 N SER A 2 16.453 9.940 -7.638 1.00 0.00 N ATOM 19 CA SER A 2 15.150 10.242 -8.298 1.00 0.00 C ATOM 20 C SER A 2 14.296 8.975 -8.357 1.00 0.00 C ATOM 21 O SER A 2 14.773 7.881 -8.129 1.00 0.00 O ATOM 22 CB SER A 2 15.404 10.754 -9.716 1.00 0.00 C ATOM 23 OG SER A 2 14.382 11.677 -10.072 1.00 0.00 O ATOM 0 H SER A 2 17.091 9.359 -8.181 1.00 0.00 H new ATOM 0 HA SER A 2 14.623 11.005 -7.725 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.380 11.235 -9.772 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.419 9.921 -10.419 1.00 0.00 H new ATOM 0 HG SER A 2 14.543 12.009 -10.980 1.00 0.00 H new ATOM 29 N LYS A 3 13.034 9.117 -8.657 1.00 0.00 N ATOM 30 CA LYS A 3 12.143 7.933 -8.728 1.00 0.00 C ATOM 31 C LYS A 3 11.567 7.811 -10.142 1.00 0.00 C ATOM 32 O LYS A 3 10.475 8.275 -10.406 1.00 0.00 O ATOM 33 CB LYS A 3 11.003 8.112 -7.733 1.00 0.00 C ATOM 34 CG LYS A 3 10.336 9.466 -7.969 1.00 0.00 C ATOM 35 CD LYS A 3 10.692 10.419 -6.826 1.00 0.00 C ATOM 36 CE LYS A 3 10.057 9.919 -5.527 1.00 0.00 C ATOM 37 NZ LYS A 3 10.251 10.937 -4.456 1.00 0.00 N ATOM 0 H LYS A 3 12.583 10.010 -8.857 1.00 0.00 H new ATOM 0 HA LYS A 3 12.707 7.032 -8.488 1.00 0.00 H new ATOM 0 HB2 LYS A 3 10.274 7.310 -7.849 1.00 0.00 H new ATOM 0 HB3 LYS A 3 11.383 8.053 -6.713 1.00 0.00 H new ATOM 0 HG2 LYS A 3 10.665 9.884 -8.920 1.00 0.00 H new ATOM 0 HG3 LYS A 3 9.255 9.344 -8.031 1.00 0.00 H new ATOM 0 HD2 LYS A 3 11.774 10.481 -6.714 1.00 0.00 H new ATOM 0 HD3 LYS A 3 10.337 11.424 -7.053 1.00 0.00 H new ATOM 0 HE2 LYS A 3 8.994 9.732 -5.678 1.00 0.00 H new ATOM 0 HE3 LYS A 3 10.508 8.972 -5.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 9.820 10.598 -3.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 11.268 11.094 -4.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 9.801 11.830 -4.740 1.00 0.00 H new ATOM 51 N PRO A 4 12.324 7.184 -11.013 1.00 0.00 N ATOM 52 CA PRO A 4 11.934 6.968 -12.423 1.00 0.00 C ATOM 53 C PRO A 4 11.223 5.610 -12.716 1.00 0.00 C ATOM 54 O PRO A 4 11.240 5.190 -13.857 1.00 0.00 O ATOM 55 CB PRO A 4 13.292 6.942 -13.129 1.00 0.00 C ATOM 56 CG PRO A 4 14.340 6.524 -12.060 1.00 0.00 C ATOM 57 CD PRO A 4 13.666 6.682 -10.685 1.00 0.00 C ATOM 0 HA PRO A 4 11.220 7.729 -12.736 1.00 0.00 H new ATOM 0 HB2 PRO A 4 13.283 6.236 -13.960 1.00 0.00 H new ATOM 0 HB3 PRO A 4 13.532 7.921 -13.545 1.00 0.00 H new ATOM 0 HG2 PRO A 4 14.661 5.494 -12.216 1.00 0.00 H new ATOM 0 HG3 PRO A 4 15.230 7.149 -12.127 1.00 0.00 H new ATOM 0 HD2 PRO A 4 13.619 5.733 -10.150 1.00 0.00 H new ATOM 0 HD3 PRO A 4 14.211 7.380 -10.049 1.00 0.00 H new ATOM 65 N PRO A 5 10.625 4.935 -11.745 1.00 0.00 N ATOM 66 CA PRO A 5 9.959 3.646 -12.020 1.00 0.00 C ATOM 67 C PRO A 5 8.593 3.877 -12.681 1.00 0.00 C ATOM 68 O PRO A 5 8.428 3.670 -13.867 1.00 0.00 O ATOM 69 CB PRO A 5 9.802 3.011 -10.638 1.00 0.00 C ATOM 70 CG PRO A 5 9.852 4.170 -9.621 1.00 0.00 C ATOM 71 CD PRO A 5 10.539 5.348 -10.332 1.00 0.00 C ATOM 0 HA PRO A 5 10.522 3.013 -12.706 1.00 0.00 H new ATOM 0 HB2 PRO A 5 8.859 2.469 -10.564 1.00 0.00 H new ATOM 0 HB3 PRO A 5 10.599 2.292 -10.448 1.00 0.00 H new ATOM 0 HG2 PRO A 5 8.848 4.445 -9.297 1.00 0.00 H new ATOM 0 HG3 PRO A 5 10.406 3.879 -8.729 1.00 0.00 H new ATOM 0 HD2 PRO A 5 9.963 6.267 -10.223 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.528 5.540 -9.915 1.00 0.00 H new ATOM 79 N TYR A 6 7.615 4.304 -11.928 1.00 0.00 N ATOM 80 CA TYR A 6 6.268 4.546 -12.522 1.00 0.00 C ATOM 81 C TYR A 6 5.534 5.621 -11.720 1.00 0.00 C ATOM 82 O TYR A 6 5.800 5.830 -10.554 1.00 0.00 O ATOM 83 CB TYR A 6 5.457 3.248 -12.501 1.00 0.00 C ATOM 84 CG TYR A 6 6.346 2.100 -12.910 1.00 0.00 C ATOM 85 CD1 TYR A 6 7.187 1.497 -11.968 1.00 0.00 C ATOM 86 CD2 TYR A 6 6.336 1.645 -14.233 1.00 0.00 C ATOM 87 CE1 TYR A 6 8.019 0.439 -12.349 1.00 0.00 C ATOM 88 CE2 TYR A 6 7.169 0.588 -14.616 1.00 0.00 C ATOM 89 CZ TYR A 6 8.011 -0.015 -13.673 1.00 0.00 C ATOM 90 OH TYR A 6 8.835 -1.057 -14.049 1.00 0.00 O ATOM 0 H TYR A 6 7.690 4.495 -10.929 1.00 0.00 H new ATOM 0 HA TYR A 6 6.386 4.884 -13.552 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.054 3.074 -11.504 1.00 0.00 H new ATOM 0 HB3 TYR A 6 4.607 3.325 -13.179 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.194 1.848 -10.947 1.00 0.00 H new ATOM 0 HD2 TYR A 6 5.685 2.110 -14.959 1.00 0.00 H new ATOM 0 HE1 TYR A 6 8.667 -0.027 -11.622 1.00 0.00 H new ATOM 0 HE2 TYR A 6 7.163 0.238 -15.638 1.00 0.00 H new ATOM 0 HH TYR A 6 8.706 -1.249 -15.001 1.00 0.00 H new ATOM 100 N SER A 7 4.609 6.306 -12.340 1.00 0.00 N ATOM 101 CA SER A 7 3.852 7.370 -11.619 1.00 0.00 C ATOM 102 C SER A 7 3.295 6.794 -10.319 1.00 0.00 C ATOM 103 O SER A 7 3.561 5.662 -9.974 1.00 0.00 O ATOM 104 CB SER A 7 2.698 7.851 -12.498 1.00 0.00 C ATOM 105 OG SER A 7 3.173 8.848 -13.393 1.00 0.00 O ATOM 0 H SER A 7 4.345 6.174 -13.316 1.00 0.00 H new ATOM 0 HA SER A 7 4.513 8.207 -11.395 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.278 7.015 -13.057 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.897 8.254 -11.878 1.00 0.00 H new ATOM 0 HG SER A 7 2.435 9.157 -13.959 1.00 0.00 H new ATOM 111 N TYR A 8 2.522 7.551 -9.590 1.00 0.00 N ATOM 112 CA TYR A 8 1.965 7.012 -8.320 1.00 0.00 C ATOM 113 C TYR A 8 0.578 6.428 -8.582 1.00 0.00 C ATOM 114 O TYR A 8 -0.440 7.022 -8.288 1.00 0.00 O ATOM 115 CB TYR A 8 1.914 8.108 -7.260 1.00 0.00 C ATOM 116 CG TYR A 8 3.220 8.068 -6.508 1.00 0.00 C ATOM 117 CD1 TYR A 8 3.662 6.856 -5.961 1.00 0.00 C ATOM 118 CD2 TYR A 8 4.002 9.220 -6.384 1.00 0.00 C ATOM 119 CE1 TYR A 8 4.884 6.799 -5.282 1.00 0.00 C ATOM 120 CE2 TYR A 8 5.227 9.162 -5.709 1.00 0.00 C ATOM 121 CZ TYR A 8 5.668 7.952 -5.158 1.00 0.00 C ATOM 122 OH TYR A 8 6.878 7.900 -4.496 1.00 0.00 O ATOM 0 H TYR A 8 2.255 8.509 -9.816 1.00 0.00 H new ATOM 0 HA TYR A 8 2.610 6.218 -7.944 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.767 9.084 -7.723 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.076 7.948 -6.582 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.059 5.966 -6.064 1.00 0.00 H new ATOM 0 HD2 TYR A 8 3.662 10.153 -6.808 1.00 0.00 H new ATOM 0 HE1 TYR A 8 5.222 5.867 -4.854 1.00 0.00 H new ATOM 0 HE2 TYR A 8 5.833 10.051 -5.613 1.00 0.00 H new ATOM 0 HH TYR A 8 7.580 7.620 -5.120 1.00 0.00 H new ATOM 132 N ALA A 9 0.561 5.254 -9.143 1.00 0.00 N ATOM 133 CA ALA A 9 -0.718 4.563 -9.463 1.00 0.00 C ATOM 134 C ALA A 9 -0.398 3.217 -10.133 1.00 0.00 C ATOM 135 O ALA A 9 -1.172 2.282 -10.074 1.00 0.00 O ATOM 136 CB ALA A 9 -1.542 5.433 -10.415 1.00 0.00 C ATOM 0 H ALA A 9 1.399 4.732 -9.399 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.290 4.393 -8.551 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.479 4.928 -10.650 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.755 6.391 -9.940 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.980 5.601 -11.334 1.00 0.00 H new ATOM 142 N GLN A 10 0.744 3.119 -10.771 1.00 0.00 N ATOM 143 CA GLN A 10 1.142 1.854 -11.449 1.00 0.00 C ATOM 144 C GLN A 10 1.914 0.973 -10.464 1.00 0.00 C ATOM 145 O GLN A 10 1.829 -0.238 -10.507 1.00 0.00 O ATOM 146 CB GLN A 10 2.034 2.187 -12.648 1.00 0.00 C ATOM 147 CG GLN A 10 1.587 3.517 -13.262 1.00 0.00 C ATOM 148 CD GLN A 10 2.402 3.802 -14.522 1.00 0.00 C ATOM 149 OE1 GLN A 10 2.792 4.927 -14.766 1.00 0.00 O ATOM 150 NE2 GLN A 10 2.677 2.826 -15.337 1.00 0.00 N ATOM 0 H GLN A 10 1.424 3.875 -10.849 1.00 0.00 H new ATOM 0 HA GLN A 10 0.254 1.322 -11.791 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.076 2.251 -12.333 1.00 0.00 H new ATOM 0 HB3 GLN A 10 1.974 1.392 -13.392 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.525 3.478 -13.505 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.719 4.324 -12.541 1.00 0.00 H new ATOM 0 HE21 GLN A 10 2.349 1.882 -15.131 1.00 0.00 H new ATOM 0 HE22 GLN A 10 3.220 3.005 -16.182 1.00 0.00 H new ATOM 159 N LEU A 11 2.647 1.567 -9.556 1.00 0.00 N ATOM 160 CA LEU A 11 3.386 0.725 -8.560 1.00 0.00 C ATOM 161 C LEU A 11 2.345 -0.160 -7.924 1.00 0.00 C ATOM 162 O LEU A 11 2.618 -1.249 -7.466 1.00 0.00 O ATOM 163 CB LEU A 11 4.062 1.537 -7.426 1.00 0.00 C ATOM 164 CG LEU A 11 4.247 2.998 -7.789 1.00 0.00 C ATOM 165 CD1 LEU A 11 4.782 3.104 -9.209 1.00 0.00 C ATOM 166 CD2 LEU A 11 2.911 3.719 -7.664 1.00 0.00 C ATOM 0 H LEU A 11 2.766 2.575 -9.459 1.00 0.00 H new ATOM 0 HA LEU A 11 4.183 0.194 -9.081 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.458 1.464 -6.522 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.033 1.097 -7.197 1.00 0.00 H new ATOM 0 HG LEU A 11 4.963 3.463 -7.112 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.915 4.154 -9.470 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.740 2.589 -9.276 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.074 2.645 -9.900 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.039 4.770 -7.924 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.187 3.264 -8.340 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.550 3.640 -6.639 1.00 0.00 H new ATOM 178 N ILE A 12 1.138 0.325 -7.896 1.00 0.00 N ATOM 179 CA ILE A 12 0.042 -0.449 -7.295 1.00 0.00 C ATOM 180 C ILE A 12 -0.400 -1.535 -8.277 1.00 0.00 C ATOM 181 O ILE A 12 -0.484 -2.701 -7.945 1.00 0.00 O ATOM 182 CB ILE A 12 -1.127 0.481 -7.023 1.00 0.00 C ATOM 183 CG1 ILE A 12 -0.616 1.836 -6.518 1.00 0.00 C ATOM 184 CG2 ILE A 12 -2.050 -0.145 -5.982 1.00 0.00 C ATOM 185 CD1 ILE A 12 0.378 1.628 -5.374 1.00 0.00 C ATOM 0 H ILE A 12 0.870 1.235 -8.270 1.00 0.00 H new ATOM 0 HA ILE A 12 0.377 -0.907 -6.364 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.681 0.636 -7.949 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.137 2.380 -7.332 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.453 2.445 -6.177 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.888 0.525 -5.789 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.426 -1.098 -6.355 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.497 -0.310 -5.057 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.735 2.596 -5.022 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.114 1.103 -4.555 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.222 1.037 -5.729 1.00 0.00 H new ATOM 197 N VAL A 13 -0.688 -1.154 -9.491 1.00 0.00 N ATOM 198 CA VAL A 13 -1.125 -2.152 -10.502 1.00 0.00 C ATOM 199 C VAL A 13 -0.132 -3.311 -10.521 1.00 0.00 C ATOM 200 O VAL A 13 -0.459 -4.418 -10.154 1.00 0.00 O ATOM 201 CB VAL A 13 -1.153 -1.496 -11.880 1.00 0.00 C ATOM 202 CG1 VAL A 13 -1.691 -2.492 -12.906 1.00 0.00 C ATOM 203 CG2 VAL A 13 -2.054 -0.261 -11.832 1.00 0.00 C ATOM 0 H VAL A 13 -0.639 -0.192 -9.825 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.120 -2.519 -10.250 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.145 -1.196 -12.167 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.712 -2.025 -13.891 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.045 -3.370 -12.934 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.701 -2.793 -12.626 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.077 0.211 -12.814 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.064 -0.558 -11.548 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.664 0.445 -11.099 1.00 0.00 H new ATOM 213 N GLN A 14 1.084 -3.073 -10.928 1.00 0.00 N ATOM 214 CA GLN A 14 2.072 -4.184 -10.938 1.00 0.00 C ATOM 215 C GLN A 14 2.153 -4.758 -9.526 1.00 0.00 C ATOM 216 O GLN A 14 2.491 -5.907 -9.326 1.00 0.00 O ATOM 217 CB GLN A 14 3.447 -3.658 -11.360 1.00 0.00 C ATOM 218 CG GLN A 14 4.130 -4.692 -12.258 1.00 0.00 C ATOM 219 CD GLN A 14 5.529 -4.202 -12.634 1.00 0.00 C ATOM 220 OE1 GLN A 14 6.484 -4.953 -12.576 1.00 0.00 O ATOM 221 NE2 GLN A 14 5.694 -2.967 -13.022 1.00 0.00 N ATOM 0 H GLN A 14 1.432 -2.170 -11.250 1.00 0.00 H new ATOM 0 HA GLN A 14 1.763 -4.954 -11.645 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.340 -2.712 -11.891 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.060 -3.462 -10.480 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.196 -5.650 -11.742 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.537 -4.855 -13.158 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.894 -2.337 -13.071 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.623 -2.632 -13.276 1.00 0.00 H new ATOM 230 N ALA A 15 1.833 -3.958 -8.544 1.00 0.00 N ATOM 231 CA ALA A 15 1.875 -4.441 -7.137 1.00 0.00 C ATOM 232 C ALA A 15 0.749 -5.457 -6.911 1.00 0.00 C ATOM 233 O ALA A 15 0.975 -6.551 -6.436 1.00 0.00 O ATOM 234 CB ALA A 15 1.692 -3.254 -6.185 1.00 0.00 C ATOM 0 H ALA A 15 1.543 -2.987 -8.659 1.00 0.00 H new ATOM 0 HA ALA A 15 2.837 -4.917 -6.944 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.723 -3.606 -5.154 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.493 -2.532 -6.346 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.730 -2.778 -6.377 1.00 0.00 H new ATOM 240 N ILE A 16 -0.464 -5.098 -7.244 1.00 0.00 N ATOM 241 CA ILE A 16 -1.605 -6.047 -7.039 1.00 0.00 C ATOM 242 C ILE A 16 -1.748 -6.973 -8.251 1.00 0.00 C ATOM 243 O ILE A 16 -2.205 -8.093 -8.135 1.00 0.00 O ATOM 244 CB ILE A 16 -2.927 -5.286 -6.827 1.00 0.00 C ATOM 245 CG1 ILE A 16 -2.682 -3.770 -6.781 1.00 0.00 C ATOM 246 CG2 ILE A 16 -3.555 -5.737 -5.505 1.00 0.00 C ATOM 247 CD1 ILE A 16 -3.894 -3.063 -6.168 1.00 0.00 C ATOM 0 H ILE A 16 -0.715 -4.195 -7.647 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.391 -6.637 -6.148 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.596 -5.504 -7.659 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.789 -3.555 -6.193 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.500 -3.392 -7.787 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.492 -5.203 -5.346 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.750 -6.809 -5.542 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.871 -5.520 -4.685 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.712 -1.989 -6.139 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.778 -3.265 -6.773 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.056 -3.431 -5.155 1.00 0.00 H new ATOM 259 N SER A 17 -1.374 -6.517 -9.414 1.00 0.00 N ATOM 260 CA SER A 17 -1.504 -7.373 -10.628 1.00 0.00 C ATOM 261 C SER A 17 -0.688 -8.654 -10.447 1.00 0.00 C ATOM 262 O SER A 17 -1.145 -9.739 -10.748 1.00 0.00 O ATOM 263 CB SER A 17 -0.983 -6.616 -11.848 1.00 0.00 C ATOM 264 OG SER A 17 -1.550 -7.177 -13.025 1.00 0.00 O ATOM 0 H SER A 17 -0.984 -5.589 -9.577 1.00 0.00 H new ATOM 0 HA SER A 17 -2.554 -7.626 -10.774 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.242 -5.560 -11.773 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.105 -6.675 -11.890 1.00 0.00 H new ATOM 0 HG SER A 17 -1.004 -6.930 -13.801 1.00 0.00 H new ATOM 270 N SER A 18 0.515 -8.537 -9.963 1.00 0.00 N ATOM 271 CA SER A 18 1.359 -9.750 -9.771 1.00 0.00 C ATOM 272 C SER A 18 0.931 -10.475 -8.495 1.00 0.00 C ATOM 273 O SER A 18 1.368 -11.575 -8.221 1.00 0.00 O ATOM 274 CB SER A 18 2.826 -9.339 -9.657 1.00 0.00 C ATOM 275 OG SER A 18 3.625 -10.497 -9.458 1.00 0.00 O ATOM 0 H SER A 18 0.951 -7.656 -9.692 1.00 0.00 H new ATOM 0 HA SER A 18 1.234 -10.416 -10.625 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.141 -8.817 -10.561 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.958 -8.645 -8.827 1.00 0.00 H new ATOM 0 HG SER A 18 3.096 -11.186 -9.004 1.00 0.00 H new ATOM 281 N ALA A 19 0.078 -9.872 -7.714 1.00 0.00 N ATOM 282 CA ALA A 19 -0.375 -10.535 -6.458 1.00 0.00 C ATOM 283 C ALA A 19 -1.170 -11.794 -6.808 1.00 0.00 C ATOM 284 O ALA A 19 -1.458 -12.055 -7.959 1.00 0.00 O ATOM 285 CB ALA A 19 -1.262 -9.573 -5.666 1.00 0.00 C ATOM 0 H ALA A 19 -0.324 -8.951 -7.890 1.00 0.00 H new ATOM 0 HA ALA A 19 0.491 -10.808 -5.855 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.594 -10.057 -4.747 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.695 -8.675 -5.419 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.130 -9.300 -6.266 1.00 0.00 H new ATOM 291 N GLN A 20 -1.529 -12.577 -5.825 1.00 0.00 N ATOM 292 CA GLN A 20 -2.308 -13.817 -6.107 1.00 0.00 C ATOM 293 C GLN A 20 -3.396 -13.501 -7.135 1.00 0.00 C ATOM 294 O GLN A 20 -3.234 -13.732 -8.317 1.00 0.00 O ATOM 295 CB GLN A 20 -2.951 -14.323 -4.813 1.00 0.00 C ATOM 296 CG GLN A 20 -1.993 -15.284 -4.105 1.00 0.00 C ATOM 297 CD GLN A 20 -1.750 -14.804 -2.673 1.00 0.00 C ATOM 298 OE1 GLN A 20 -2.564 -14.099 -2.109 1.00 0.00 O ATOM 299 NE2 GLN A 20 -0.656 -15.158 -2.056 1.00 0.00 N ATOM 0 H GLN A 20 -1.317 -12.411 -4.841 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.645 -14.587 -6.501 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -3.188 -13.483 -4.160 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.891 -14.829 -5.036 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.412 -16.290 -4.096 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.049 -15.337 -4.647 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.027 -15.750 -2.529 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.484 -14.843 -1.101 1.00 0.00 H new ATOM 308 N ASP A 21 -4.501 -12.964 -6.697 1.00 0.00 N ATOM 309 CA ASP A 21 -5.592 -12.621 -7.653 1.00 0.00 C ATOM 310 C ASP A 21 -5.363 -11.201 -8.171 1.00 0.00 C ATOM 311 O ASP A 21 -4.990 -10.996 -9.309 1.00 0.00 O ATOM 312 CB ASP A 21 -6.943 -12.696 -6.936 1.00 0.00 C ATOM 313 CG ASP A 21 -7.951 -13.434 -7.820 1.00 0.00 C ATOM 314 OD1 ASP A 21 -8.035 -14.646 -7.703 1.00 0.00 O ATOM 315 OD2 ASP A 21 -8.621 -12.775 -8.598 1.00 0.00 O ATOM 0 H ASP A 21 -4.696 -12.748 -5.719 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.591 -13.324 -8.486 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.832 -13.213 -5.983 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.305 -11.692 -6.714 1.00 0.00 H new ATOM 320 N ARG A 22 -5.576 -10.220 -7.340 1.00 0.00 N ATOM 321 CA ARG A 22 -5.363 -8.810 -7.775 1.00 0.00 C ATOM 322 C ARG A 22 -5.691 -7.870 -6.615 1.00 0.00 C ATOM 323 O ARG A 22 -6.155 -6.764 -6.811 1.00 0.00 O ATOM 324 CB ARG A 22 -6.269 -8.491 -8.965 1.00 0.00 C ATOM 325 CG ARG A 22 -7.605 -9.216 -8.802 1.00 0.00 C ATOM 326 CD ARG A 22 -8.738 -8.308 -9.283 1.00 0.00 C ATOM 327 NE ARG A 22 -9.899 -8.435 -8.359 1.00 0.00 N ATOM 328 CZ ARG A 22 -10.794 -9.361 -8.560 1.00 0.00 C ATOM 329 NH1 ARG A 22 -10.500 -10.404 -9.288 1.00 0.00 N ATOM 330 NH2 ARG A 22 -11.983 -9.245 -8.035 1.00 0.00 N ATOM 0 H ARG A 22 -5.889 -10.333 -6.376 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.323 -8.676 -8.073 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.433 -7.416 -9.032 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.788 -8.798 -9.894 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.600 -10.144 -9.374 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.759 -9.486 -7.757 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.399 -7.273 -9.319 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.033 -8.582 -10.296 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.994 -7.797 -7.569 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.571 -10.494 -9.699 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.200 -11.129 -9.446 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -12.212 -8.429 -7.467 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.683 -9.970 -8.193 1.00 0.00 H new ATOM 344 N GLN A 23 -5.454 -8.301 -5.407 1.00 0.00 N ATOM 345 CA GLN A 23 -5.751 -7.433 -4.235 1.00 0.00 C ATOM 346 C GLN A 23 -4.551 -7.428 -3.289 1.00 0.00 C ATOM 347 O GLN A 23 -3.875 -8.421 -3.118 1.00 0.00 O ATOM 348 CB GLN A 23 -6.980 -7.970 -3.499 1.00 0.00 C ATOM 349 CG GLN A 23 -6.681 -9.368 -2.953 1.00 0.00 C ATOM 350 CD GLN A 23 -7.451 -10.410 -3.766 1.00 0.00 C ATOM 351 OE1 GLN A 23 -7.642 -10.250 -4.955 1.00 0.00 O ATOM 352 NE2 GLN A 23 -7.904 -11.479 -3.170 1.00 0.00 N ATOM 0 H GLN A 23 -5.067 -9.217 -5.181 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.949 -6.417 -4.576 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.249 -7.300 -2.683 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.834 -8.008 -4.175 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.611 -9.569 -3.005 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.966 -9.428 -1.903 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.743 -11.613 -2.172 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.419 -12.180 -3.703 1.00 0.00 H new ATOM 361 N LEU A 24 -4.281 -6.312 -2.673 1.00 0.00 N ATOM 362 CA LEU A 24 -3.131 -6.235 -1.741 1.00 0.00 C ATOM 363 C LEU A 24 -3.559 -5.478 -0.487 1.00 0.00 C ATOM 364 O LEU A 24 -4.407 -4.612 -0.538 1.00 0.00 O ATOM 365 CB LEU A 24 -1.992 -5.473 -2.411 1.00 0.00 C ATOM 366 CG LEU A 24 -1.194 -6.414 -3.312 1.00 0.00 C ATOM 367 CD1 LEU A 24 -0.208 -5.595 -4.142 1.00 0.00 C ATOM 368 CD2 LEU A 24 -0.425 -7.416 -2.448 1.00 0.00 C ATOM 0 H LEU A 24 -4.812 -5.447 -2.778 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.801 -7.240 -1.479 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.392 -4.646 -2.998 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.338 -5.040 -1.654 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.872 -6.953 -3.974 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.365 -6.261 -4.788 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.755 -4.878 -4.754 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.471 -5.061 -3.478 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.145 -8.088 -3.090 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.257 -6.879 -1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.128 -7.995 -1.850 1.00 0.00 H new ATOM 380 N THR A 25 -2.968 -5.774 0.634 1.00 0.00 N ATOM 381 CA THR A 25 -3.344 -5.042 1.872 1.00 0.00 C ATOM 382 C THR A 25 -2.635 -3.688 1.853 1.00 0.00 C ATOM 383 O THR A 25 -1.703 -3.483 1.101 1.00 0.00 O ATOM 384 CB THR A 25 -2.902 -5.844 3.098 1.00 0.00 C ATOM 385 OG1 THR A 25 -1.482 -5.892 3.144 1.00 0.00 O ATOM 386 CG2 THR A 25 -3.461 -7.266 3.007 1.00 0.00 C ATOM 0 H THR A 25 -2.246 -6.486 0.747 1.00 0.00 H new ATOM 0 HA THR A 25 -4.424 -4.902 1.919 1.00 0.00 H new ATOM 0 HB THR A 25 -3.278 -5.365 4.002 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.197 -6.404 3.930 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.146 -7.837 3.880 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.550 -7.227 2.972 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.086 -7.747 2.104 1.00 0.00 H new ATOM 394 N LEU A 26 -3.061 -2.756 2.656 1.00 0.00 N ATOM 395 CA LEU A 26 -2.382 -1.428 2.637 1.00 0.00 C ATOM 396 C LEU A 26 -0.875 -1.651 2.757 1.00 0.00 C ATOM 397 O LEU A 26 -0.082 -0.927 2.190 1.00 0.00 O ATOM 398 CB LEU A 26 -2.865 -0.551 3.799 1.00 0.00 C ATOM 399 CG LEU A 26 -3.145 0.861 3.279 1.00 0.00 C ATOM 400 CD1 LEU A 26 -4.246 1.507 4.122 1.00 0.00 C ATOM 401 CD2 LEU A 26 -1.869 1.700 3.373 1.00 0.00 C ATOM 0 H LEU A 26 -3.835 -2.850 3.314 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.620 -0.917 1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.767 -0.975 4.240 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.110 -0.519 4.585 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.469 0.809 2.240 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.445 2.513 3.752 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.155 0.909 4.054 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.924 1.561 5.162 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.067 2.706 3.003 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.544 1.753 4.412 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.086 1.240 2.771 1.00 0.00 H new ATOM 413 N SER A 27 -0.477 -2.658 3.484 1.00 0.00 N ATOM 414 CA SER A 27 0.977 -2.944 3.635 1.00 0.00 C ATOM 415 C SER A 27 1.376 -4.063 2.668 1.00 0.00 C ATOM 416 O SER A 27 2.404 -4.694 2.822 1.00 0.00 O ATOM 417 CB SER A 27 1.260 -3.384 5.073 1.00 0.00 C ATOM 418 OG SER A 27 0.934 -2.323 5.960 1.00 0.00 O ATOM 0 H SER A 27 -1.098 -3.297 3.981 1.00 0.00 H new ATOM 0 HA SER A 27 1.554 -2.047 3.410 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.674 -4.270 5.317 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.310 -3.656 5.183 1.00 0.00 H new ATOM 0 HG SER A 27 1.112 -2.601 6.883 1.00 0.00 H new ATOM 424 N GLY A 28 0.581 -4.301 1.658 1.00 0.00 N ATOM 425 CA GLY A 28 0.921 -5.360 0.668 1.00 0.00 C ATOM 426 C GLY A 28 1.497 -4.664 -0.554 1.00 0.00 C ATOM 427 O GLY A 28 2.497 -5.061 -1.115 1.00 0.00 O ATOM 0 H GLY A 28 -0.292 -3.805 1.477 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.643 -6.061 1.087 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.035 -5.936 0.401 1.00 0.00 H new ATOM 431 N ILE A 29 0.857 -3.603 -0.941 1.00 0.00 N ATOM 432 CA ILE A 29 1.318 -2.814 -2.099 1.00 0.00 C ATOM 433 C ILE A 29 2.769 -2.420 -1.867 1.00 0.00 C ATOM 434 O ILE A 29 3.545 -2.258 -2.788 1.00 0.00 O ATOM 435 CB ILE A 29 0.433 -1.578 -2.197 1.00 0.00 C ATOM 436 CG1 ILE A 29 0.668 -0.878 -3.531 1.00 0.00 C ATOM 437 CG2 ILE A 29 0.737 -0.621 -1.043 1.00 0.00 C ATOM 438 CD1 ILE A 29 2.067 -0.274 -3.545 1.00 0.00 C ATOM 0 H ILE A 29 0.015 -3.245 -0.490 1.00 0.00 H new ATOM 0 HA ILE A 29 1.254 -3.383 -3.027 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.611 -1.884 -2.134 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.558 -1.588 -4.351 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.078 -0.098 -3.682 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.099 0.259 -1.123 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.546 -1.123 -0.094 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.783 -0.316 -1.089 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.237 0.227 -4.498 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.160 0.448 -2.734 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.806 -1.064 -3.413 1.00 0.00 H new ATOM 450 N TYR A 30 3.136 -2.278 -0.633 1.00 0.00 N ATOM 451 CA TYR A 30 4.541 -1.905 -0.306 1.00 0.00 C ATOM 452 C TYR A 30 5.442 -3.135 -0.420 1.00 0.00 C ATOM 453 O TYR A 30 6.308 -3.208 -1.267 1.00 0.00 O ATOM 454 CB TYR A 30 4.607 -1.369 1.125 1.00 0.00 C ATOM 455 CG TYR A 30 3.502 -0.369 1.325 1.00 0.00 C ATOM 456 CD1 TYR A 30 3.108 0.444 0.262 1.00 0.00 C ATOM 457 CD2 TYR A 30 2.870 -0.255 2.567 1.00 0.00 C ATOM 458 CE1 TYR A 30 2.083 1.371 0.436 1.00 0.00 C ATOM 459 CE2 TYR A 30 1.842 0.675 2.741 1.00 0.00 C ATOM 460 CZ TYR A 30 1.448 1.490 1.675 1.00 0.00 C ATOM 461 OH TYR A 30 0.433 2.409 1.846 1.00 0.00 O ATOM 0 H TYR A 30 2.523 -2.404 0.173 1.00 0.00 H new ATOM 0 HA TYR A 30 4.879 -1.139 -1.004 1.00 0.00 H new ATOM 0 HB2 TYR A 30 4.508 -2.187 1.838 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.575 -0.902 1.308 1.00 0.00 H new ATOM 0 HD1 TYR A 30 3.598 0.355 -0.696 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.176 -0.884 3.390 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.779 1.999 -0.388 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.351 0.765 3.699 1.00 0.00 H new ATOM 0 HH TYR A 30 0.798 3.316 1.780 1.00 0.00 H new ATOM 471 N ALA A 31 5.248 -4.096 0.440 1.00 0.00 N ATOM 472 CA ALA A 31 6.096 -5.319 0.399 1.00 0.00 C ATOM 473 C ALA A 31 6.050 -5.944 -0.998 1.00 0.00 C ATOM 474 O ALA A 31 6.950 -6.661 -1.389 1.00 0.00 O ATOM 475 CB ALA A 31 5.579 -6.332 1.424 1.00 0.00 C ATOM 0 H ALA A 31 4.537 -4.087 1.171 1.00 0.00 H new ATOM 0 HA ALA A 31 7.125 -5.046 0.635 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.199 -7.228 1.395 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.621 -5.894 2.421 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.548 -6.596 1.187 1.00 0.00 H new ATOM 481 N HIS A 32 5.017 -5.690 -1.756 1.00 0.00 N ATOM 482 CA HIS A 32 4.943 -6.287 -3.113 1.00 0.00 C ATOM 483 C HIS A 32 5.845 -5.505 -4.070 1.00 0.00 C ATOM 484 O HIS A 32 6.816 -6.016 -4.592 1.00 0.00 O ATOM 485 CB HIS A 32 3.505 -6.230 -3.620 1.00 0.00 C ATOM 486 CG HIS A 32 3.447 -6.892 -4.964 1.00 0.00 C ATOM 487 ND1 HIS A 32 2.626 -7.977 -5.227 1.00 0.00 N ATOM 488 CD2 HIS A 32 4.123 -6.640 -6.129 1.00 0.00 C ATOM 489 CE1 HIS A 32 2.829 -8.336 -6.507 1.00 0.00 C ATOM 490 NE2 HIS A 32 3.733 -7.552 -7.104 1.00 0.00 N ATOM 0 H HIS A 32 4.228 -5.099 -1.493 1.00 0.00 H new ATOM 0 HA HIS A 32 5.274 -7.325 -3.065 1.00 0.00 H new ATOM 0 HB2 HIS A 32 2.837 -6.733 -2.921 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.170 -5.195 -3.693 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.849 -5.852 -6.269 1.00 0.00 H new ATOM 0 HE1 HIS A 32 2.324 -9.157 -6.993 1.00 0.00 H new ATOM 0 HE2 HIS A 32 4.065 -7.610 -8.067 1.00 0.00 H new ATOM 498 N ILE A 33 5.515 -4.269 -4.304 1.00 0.00 N ATOM 499 CA ILE A 33 6.321 -3.425 -5.228 1.00 0.00 C ATOM 500 C ILE A 33 7.786 -3.418 -4.797 1.00 0.00 C ATOM 501 O ILE A 33 8.686 -3.390 -5.612 1.00 0.00 O ATOM 502 CB ILE A 33 5.778 -2.001 -5.171 1.00 0.00 C ATOM 503 CG1 ILE A 33 6.331 -1.184 -6.341 1.00 0.00 C ATOM 504 CG2 ILE A 33 6.185 -1.350 -3.849 1.00 0.00 C ATOM 505 CD1 ILE A 33 7.839 -0.979 -6.171 1.00 0.00 C ATOM 0 H ILE A 33 4.710 -3.800 -3.889 1.00 0.00 H new ATOM 0 HA ILE A 33 6.254 -3.825 -6.240 1.00 0.00 H new ATOM 0 HB ILE A 33 4.691 -2.030 -5.241 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.129 -1.697 -7.281 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.828 -0.218 -6.391 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.796 -0.332 -3.810 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.777 -1.927 -3.019 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.272 -1.326 -3.775 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.224 -0.397 -7.008 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.031 -0.446 -5.240 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.337 -1.948 -6.144 1.00 0.00 H new ATOM 517 N THR A 34 8.030 -3.420 -3.523 1.00 0.00 N ATOM 518 CA THR A 34 9.440 -3.388 -3.039 1.00 0.00 C ATOM 519 C THR A 34 10.209 -4.570 -3.633 1.00 0.00 C ATOM 520 O THR A 34 11.377 -4.464 -3.953 1.00 0.00 O ATOM 521 CB THR A 34 9.461 -3.481 -1.512 1.00 0.00 C ATOM 522 OG1 THR A 34 8.748 -4.637 -1.099 1.00 0.00 O ATOM 523 CG2 THR A 34 8.808 -2.234 -0.913 1.00 0.00 C ATOM 0 H THR A 34 7.319 -3.442 -2.792 1.00 0.00 H new ATOM 0 HA THR A 34 9.909 -2.455 -3.351 1.00 0.00 H new ATOM 0 HB THR A 34 10.493 -3.548 -1.167 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.128 -4.973 -0.260 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.824 -2.302 0.175 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.358 -1.348 -1.229 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.776 -2.163 -1.257 1.00 0.00 H new ATOM 531 N LYS A 35 9.566 -5.692 -3.795 1.00 0.00 N ATOM 532 CA LYS A 35 10.265 -6.870 -4.380 1.00 0.00 C ATOM 533 C LYS A 35 10.186 -6.806 -5.908 1.00 0.00 C ATOM 534 O LYS A 35 10.689 -7.668 -6.601 1.00 0.00 O ATOM 535 CB LYS A 35 9.595 -8.155 -3.891 1.00 0.00 C ATOM 536 CG LYS A 35 10.660 -9.230 -3.666 1.00 0.00 C ATOM 537 CD LYS A 35 10.329 -10.466 -4.505 1.00 0.00 C ATOM 538 CE LYS A 35 10.997 -11.695 -3.886 1.00 0.00 C ATOM 539 NZ LYS A 35 12.076 -12.182 -4.791 1.00 0.00 N ATOM 0 H LYS A 35 8.588 -5.845 -3.548 1.00 0.00 H new ATOM 0 HA LYS A 35 11.310 -6.862 -4.069 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.053 -7.965 -2.965 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.865 -8.499 -4.623 1.00 0.00 H new ATOM 0 HG2 LYS A 35 11.643 -8.845 -3.939 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.704 -9.496 -2.610 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.249 -10.610 -4.551 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.676 -10.327 -5.529 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.412 -11.444 -2.910 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.259 -12.481 -3.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.531 -13.018 -4.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.667 -12.437 -5.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.784 -11.432 -4.922 1.00 0.00 H new ATOM 553 N HIS A 36 9.547 -5.796 -6.440 1.00 0.00 N ATOM 554 CA HIS A 36 9.428 -5.688 -7.923 1.00 0.00 C ATOM 555 C HIS A 36 10.343 -4.578 -8.452 1.00 0.00 C ATOM 556 O HIS A 36 11.273 -4.830 -9.193 1.00 0.00 O ATOM 557 CB HIS A 36 7.978 -5.364 -8.293 1.00 0.00 C ATOM 558 CG HIS A 36 7.201 -6.641 -8.464 1.00 0.00 C ATOM 559 ND1 HIS A 36 6.723 -7.055 -9.697 1.00 0.00 N ATOM 560 CD2 HIS A 36 6.810 -7.604 -7.567 1.00 0.00 C ATOM 561 CE1 HIS A 36 6.076 -8.221 -9.512 1.00 0.00 C ATOM 562 NE2 HIS A 36 6.100 -8.601 -8.231 1.00 0.00 N ATOM 0 H HIS A 36 9.104 -5.044 -5.912 1.00 0.00 H new ATOM 0 HA HIS A 36 9.725 -6.637 -8.371 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.522 -4.751 -7.515 1.00 0.00 H new ATOM 0 HB3 HIS A 36 7.949 -4.783 -9.215 1.00 0.00 H new ATOM 0 HD2 HIS A 36 7.021 -7.590 -6.508 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.597 -8.780 -10.302 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.687 -9.441 -7.826 1.00 0.00 H new ATOM 570 N TYR A 37 10.077 -3.349 -8.095 1.00 0.00 N ATOM 571 CA TYR A 37 10.923 -2.227 -8.598 1.00 0.00 C ATOM 572 C TYR A 37 12.208 -2.118 -7.769 1.00 0.00 C ATOM 573 O TYR A 37 12.209 -2.400 -6.587 1.00 0.00 O ATOM 574 CB TYR A 37 10.139 -0.916 -8.503 1.00 0.00 C ATOM 575 CG TYR A 37 8.821 -1.050 -9.236 1.00 0.00 C ATOM 576 CD1 TYR A 37 8.592 -2.140 -10.087 1.00 0.00 C ATOM 577 CD2 TYR A 37 7.829 -0.080 -9.062 1.00 0.00 C ATOM 578 CE1 TYR A 37 7.372 -2.258 -10.760 1.00 0.00 C ATOM 579 CE2 TYR A 37 6.609 -0.200 -9.737 1.00 0.00 C ATOM 580 CZ TYR A 37 6.380 -1.287 -10.585 1.00 0.00 C ATOM 581 OH TYR A 37 5.175 -1.401 -11.249 1.00 0.00 O ATOM 0 H TYR A 37 9.312 -3.074 -7.478 1.00 0.00 H new ATOM 0 HA TYR A 37 11.189 -2.421 -9.637 1.00 0.00 H new ATOM 0 HB2 TYR A 37 9.960 -0.664 -7.458 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.722 -0.101 -8.932 1.00 0.00 H new ATOM 0 HD1 TYR A 37 9.358 -2.889 -10.223 1.00 0.00 H new ATOM 0 HD2 TYR A 37 8.004 0.761 -8.407 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.195 -3.099 -11.415 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.843 0.549 -9.602 1.00 0.00 H new ATOM 0 HH TYR A 37 5.054 -0.631 -11.843 1.00 0.00 H new ATOM 591 N PRO A 38 13.267 -1.711 -8.426 1.00 0.00 N ATOM 592 CA PRO A 38 14.588 -1.549 -7.791 1.00 0.00 C ATOM 593 C PRO A 38 14.663 -0.229 -7.014 1.00 0.00 C ATOM 594 O PRO A 38 15.226 -0.163 -5.940 1.00 0.00 O ATOM 595 CB PRO A 38 15.554 -1.532 -8.980 1.00 0.00 C ATOM 596 CG PRO A 38 14.722 -1.109 -10.215 1.00 0.00 C ATOM 597 CD PRO A 38 13.246 -1.377 -9.865 1.00 0.00 C ATOM 0 HA PRO A 38 14.811 -2.335 -7.069 1.00 0.00 H new ATOM 0 HB2 PRO A 38 16.372 -0.833 -8.805 1.00 0.00 H new ATOM 0 HB3 PRO A 38 16.001 -2.515 -9.131 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.880 -0.056 -10.446 1.00 0.00 H new ATOM 0 HG3 PRO A 38 15.020 -1.677 -11.096 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.626 -0.503 -10.061 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.839 -2.196 -10.458 1.00 0.00 H new ATOM 605 N TYR A 39 14.109 0.825 -7.552 1.00 0.00 N ATOM 606 CA TYR A 39 14.161 2.137 -6.844 1.00 0.00 C ATOM 607 C TYR A 39 13.335 2.065 -5.555 1.00 0.00 C ATOM 608 O TYR A 39 13.803 2.411 -4.489 1.00 0.00 O ATOM 609 CB TYR A 39 13.596 3.234 -7.753 1.00 0.00 C ATOM 610 CG TYR A 39 13.388 4.496 -6.950 1.00 0.00 C ATOM 611 CD1 TYR A 39 14.480 5.317 -6.638 1.00 0.00 C ATOM 612 CD2 TYR A 39 12.104 4.846 -6.514 1.00 0.00 C ATOM 613 CE1 TYR A 39 14.287 6.485 -5.891 1.00 0.00 C ATOM 614 CE2 TYR A 39 11.912 6.012 -5.767 1.00 0.00 C ATOM 615 CZ TYR A 39 13.003 6.833 -5.455 1.00 0.00 C ATOM 616 OH TYR A 39 12.811 7.983 -4.719 1.00 0.00 O ATOM 0 H TYR A 39 13.624 0.834 -8.449 1.00 0.00 H new ATOM 0 HA TYR A 39 15.197 2.369 -6.595 1.00 0.00 H new ATOM 0 HB2 TYR A 39 14.281 3.425 -8.579 1.00 0.00 H new ATOM 0 HB3 TYR A 39 12.652 2.909 -8.190 1.00 0.00 H new ATOM 0 HD1 TYR A 39 15.471 5.049 -6.974 1.00 0.00 H new ATOM 0 HD2 TYR A 39 11.262 4.215 -6.755 1.00 0.00 H new ATOM 0 HE1 TYR A 39 15.129 7.118 -5.651 1.00 0.00 H new ATOM 0 HE2 TYR A 39 10.921 6.280 -5.430 1.00 0.00 H new ATOM 0 HH TYR A 39 13.482 8.650 -4.974 1.00 0.00 H new ATOM 626 N TYR A 40 12.110 1.621 -5.642 1.00 0.00 N ATOM 627 CA TYR A 40 11.262 1.536 -4.419 1.00 0.00 C ATOM 628 C TYR A 40 11.754 0.393 -3.527 1.00 0.00 C ATOM 629 O TYR A 40 11.410 -0.755 -3.729 1.00 0.00 O ATOM 630 CB TYR A 40 9.808 1.278 -4.824 1.00 0.00 C ATOM 631 CG TYR A 40 9.142 2.588 -5.174 1.00 0.00 C ATOM 632 CD1 TYR A 40 8.963 3.566 -4.189 1.00 0.00 C ATOM 633 CD2 TYR A 40 8.707 2.826 -6.484 1.00 0.00 C ATOM 634 CE1 TYR A 40 8.349 4.781 -4.511 1.00 0.00 C ATOM 635 CE2 TYR A 40 8.093 4.042 -6.806 1.00 0.00 C ATOM 636 CZ TYR A 40 7.914 5.020 -5.821 1.00 0.00 C ATOM 637 OH TYR A 40 7.310 6.218 -6.140 1.00 0.00 O ATOM 0 H TYR A 40 11.661 1.314 -6.505 1.00 0.00 H new ATOM 0 HA TYR A 40 11.327 2.475 -3.869 1.00 0.00 H new ATOM 0 HB2 TYR A 40 9.772 0.600 -5.677 1.00 0.00 H new ATOM 0 HB3 TYR A 40 9.273 0.792 -4.008 1.00 0.00 H new ATOM 0 HD1 TYR A 40 9.299 3.382 -3.179 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.845 2.072 -7.245 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.210 5.535 -3.750 1.00 0.00 H new ATOM 0 HE2 TYR A 40 7.757 4.226 -7.816 1.00 0.00 H new ATOM 0 HH TYR A 40 6.617 6.421 -5.478 1.00 0.00 H new ATOM 647 N ARG A 41 12.554 0.696 -2.538 1.00 0.00 N ATOM 648 CA ARG A 41 13.062 -0.374 -1.633 1.00 0.00 C ATOM 649 C ARG A 41 13.658 0.260 -0.373 1.00 0.00 C ATOM 650 O ARG A 41 13.533 -0.265 0.715 1.00 0.00 O ATOM 651 CB ARG A 41 14.143 -1.185 -2.353 1.00 0.00 C ATOM 652 CG ARG A 41 14.660 -2.283 -1.420 1.00 0.00 C ATOM 653 CD ARG A 41 15.935 -2.892 -2.006 1.00 0.00 C ATOM 654 NE ARG A 41 17.120 -2.357 -1.276 1.00 0.00 N ATOM 655 CZ ARG A 41 17.933 -3.174 -0.665 1.00 0.00 C ATOM 656 NH1 ARG A 41 18.772 -3.900 -1.355 1.00 0.00 N ATOM 657 NH2 ARG A 41 17.909 -3.267 0.636 1.00 0.00 N ATOM 0 H ARG A 41 12.877 1.638 -2.319 1.00 0.00 H new ATOM 0 HA ARG A 41 12.238 -1.032 -1.355 1.00 0.00 H new ATOM 0 HB2 ARG A 41 13.736 -1.627 -3.263 1.00 0.00 H new ATOM 0 HB3 ARG A 41 14.963 -0.533 -2.654 1.00 0.00 H new ATOM 0 HG2 ARG A 41 14.863 -1.870 -0.432 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.901 -3.055 -1.293 1.00 0.00 H new ATOM 0 HD2 ARG A 41 15.903 -3.978 -1.924 1.00 0.00 H new ATOM 0 HD3 ARG A 41 16.010 -2.655 -3.067 1.00 0.00 H new ATOM 0 HE ARG A 41 17.295 -1.352 -1.254 1.00 0.00 H new ATOM 0 HH11 ARG A 41 18.792 -3.828 -2.372 1.00 0.00 H new ATOM 0 HH12 ARG A 41 19.407 -4.539 -0.876 1.00 0.00 H new ATOM 0 HH21 ARG A 41 17.254 -2.701 1.176 1.00 0.00 H new ATOM 0 HH22 ARG A 41 18.545 -3.906 1.113 1.00 0.00 H new ATOM 671 N THR A 42 14.310 1.384 -0.511 1.00 0.00 N ATOM 672 CA THR A 42 14.915 2.046 0.681 1.00 0.00 C ATOM 673 C THR A 42 14.106 3.293 1.047 1.00 0.00 C ATOM 674 O THR A 42 13.604 3.418 2.146 1.00 0.00 O ATOM 675 CB THR A 42 16.356 2.453 0.362 1.00 0.00 C ATOM 676 OG1 THR A 42 16.609 2.246 -1.021 1.00 0.00 O ATOM 677 CG2 THR A 42 17.324 1.610 1.192 1.00 0.00 C ATOM 0 H THR A 42 14.449 1.871 -1.396 1.00 0.00 H new ATOM 0 HA THR A 42 14.907 1.351 1.520 1.00 0.00 H new ATOM 0 HB THR A 42 16.498 3.506 0.605 1.00 0.00 H new ATOM 0 HG1 THR A 42 16.130 2.921 -1.546 1.00 0.00 H new ATOM 0 HG21 THR A 42 18.349 1.902 0.963 1.00 0.00 H new ATOM 0 HG22 THR A 42 17.129 1.771 2.252 1.00 0.00 H new ATOM 0 HG23 THR A 42 17.185 0.556 0.953 1.00 0.00 H new ATOM 685 N ALA A 43 13.977 4.221 0.136 1.00 0.00 N ATOM 686 CA ALA A 43 13.201 5.458 0.441 1.00 0.00 C ATOM 687 C ALA A 43 11.762 5.075 0.802 1.00 0.00 C ATOM 688 O ALA A 43 11.118 4.326 0.094 1.00 0.00 O ATOM 689 CB ALA A 43 13.192 6.371 -0.788 1.00 0.00 C ATOM 0 H ALA A 43 14.374 4.176 -0.803 1.00 0.00 H new ATOM 0 HA ALA A 43 13.662 5.982 1.278 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.625 7.275 -0.566 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.216 6.640 -1.049 1.00 0.00 H new ATOM 0 HB3 ALA A 43 12.729 5.849 -1.625 1.00 0.00 H new ATOM 695 N ASP A 44 11.252 5.572 1.898 1.00 0.00 N ATOM 696 CA ASP A 44 9.858 5.217 2.288 1.00 0.00 C ATOM 697 C ASP A 44 9.067 6.474 2.656 1.00 0.00 C ATOM 698 O ASP A 44 7.870 6.422 2.847 1.00 0.00 O ATOM 699 CB ASP A 44 9.890 4.277 3.493 1.00 0.00 C ATOM 700 CG ASP A 44 10.417 5.031 4.715 1.00 0.00 C ATOM 701 OD1 ASP A 44 9.688 5.860 5.236 1.00 0.00 O ATOM 702 OD2 ASP A 44 11.541 4.769 5.110 1.00 0.00 O ATOM 0 H ASP A 44 11.737 6.204 2.535 1.00 0.00 H new ATOM 0 HA ASP A 44 9.374 4.727 1.443 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.890 3.892 3.694 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.526 3.418 3.280 1.00 0.00 H new ATOM 707 N LYS A 45 9.712 7.600 2.768 1.00 0.00 N ATOM 708 CA LYS A 45 8.964 8.833 3.138 1.00 0.00 C ATOM 709 C LYS A 45 8.478 9.557 1.880 1.00 0.00 C ATOM 710 O LYS A 45 8.989 10.597 1.517 1.00 0.00 O ATOM 711 CB LYS A 45 9.872 9.763 3.946 1.00 0.00 C ATOM 712 CG LYS A 45 9.838 9.357 5.422 1.00 0.00 C ATOM 713 CD LYS A 45 9.405 10.555 6.271 1.00 0.00 C ATOM 714 CE LYS A 45 8.176 10.177 7.100 1.00 0.00 C ATOM 715 NZ LYS A 45 8.537 10.174 8.547 1.00 0.00 N ATOM 0 H LYS A 45 10.714 7.721 2.621 1.00 0.00 H new ATOM 0 HA LYS A 45 8.100 8.553 3.740 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.893 9.711 3.567 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.543 10.796 3.835 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.147 8.527 5.566 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.822 9.011 5.738 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.219 10.862 6.928 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.176 11.405 5.629 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.368 10.885 6.917 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.811 9.194 6.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.703 9.917 9.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.295 9.482 8.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.865 11.121 8.825 1.00 0.00 H new ATOM 729 N GLY A 46 7.488 9.022 1.217 1.00 0.00 N ATOM 730 CA GLY A 46 6.969 9.693 -0.010 1.00 0.00 C ATOM 731 C GLY A 46 5.828 8.866 -0.606 1.00 0.00 C ATOM 732 O GLY A 46 4.704 9.317 -0.706 1.00 0.00 O ATOM 0 H GLY A 46 7.018 8.153 1.470 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.616 10.695 0.233 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.770 9.806 -0.741 1.00 0.00 H new ATOM 736 N TRP A 47 6.116 7.660 -1.009 1.00 0.00 N ATOM 737 CA TRP A 47 5.062 6.794 -1.610 1.00 0.00 C ATOM 738 C TRP A 47 4.304 6.049 -0.511 1.00 0.00 C ATOM 739 O TRP A 47 3.180 5.630 -0.697 1.00 0.00 O ATOM 740 CB TRP A 47 5.705 5.784 -2.571 1.00 0.00 C ATOM 741 CG TRP A 47 6.538 4.787 -1.820 1.00 0.00 C ATOM 742 CD1 TRP A 47 7.668 5.072 -1.128 1.00 0.00 C ATOM 743 CD2 TRP A 47 6.344 3.346 -1.696 1.00 0.00 C ATOM 744 NE1 TRP A 47 8.168 3.909 -0.584 1.00 0.00 N ATOM 745 CE2 TRP A 47 7.394 2.818 -0.906 1.00 0.00 C ATOM 746 CE3 TRP A 47 5.371 2.452 -2.182 1.00 0.00 C ATOM 747 CZ2 TRP A 47 7.478 1.459 -0.611 1.00 0.00 C ATOM 748 CZ3 TRP A 47 5.455 1.081 -1.888 1.00 0.00 C ATOM 749 CH2 TRP A 47 6.508 0.586 -1.105 1.00 0.00 C ATOM 0 H TRP A 47 7.041 7.234 -0.948 1.00 0.00 H new ATOM 0 HA TRP A 47 4.362 7.421 -2.161 1.00 0.00 H new ATOM 0 HB2 TRP A 47 4.928 5.265 -3.133 1.00 0.00 H new ATOM 0 HB3 TRP A 47 6.326 6.310 -3.296 1.00 0.00 H new ATOM 0 HD1 TRP A 47 8.106 6.053 -1.020 1.00 0.00 H new ATOM 0 HE1 TRP A 47 9.011 3.862 -0.011 1.00 0.00 H new ATOM 0 HE3 TRP A 47 4.555 2.823 -2.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 8.289 1.084 -0.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 4.704 0.404 -2.267 1.00 0.00 H new ATOM 0 HH2 TRP A 47 6.568 -0.470 -0.885 1.00 0.00 H new ATOM 760 N GLN A 48 4.902 5.877 0.633 1.00 0.00 N ATOM 761 CA GLN A 48 4.199 5.156 1.727 1.00 0.00 C ATOM 762 C GLN A 48 2.784 5.725 1.879 1.00 0.00 C ATOM 763 O GLN A 48 1.803 5.049 1.649 1.00 0.00 O ATOM 764 CB GLN A 48 4.966 5.338 3.039 1.00 0.00 C ATOM 765 CG GLN A 48 4.828 4.079 3.899 1.00 0.00 C ATOM 766 CD GLN A 48 5.265 2.854 3.093 1.00 0.00 C ATOM 767 OE1 GLN A 48 4.897 1.740 3.412 1.00 0.00 O ATOM 768 NE2 GLN A 48 6.038 3.013 2.053 1.00 0.00 N ATOM 0 H GLN A 48 5.842 6.203 0.857 1.00 0.00 H new ATOM 0 HA GLN A 48 4.144 4.094 1.487 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.018 5.534 2.832 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.581 6.203 3.579 1.00 0.00 H new ATOM 0 HG2 GLN A 48 5.438 4.172 4.797 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.795 3.962 4.226 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.347 3.948 1.785 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.333 2.203 1.508 1.00 0.00 H new ATOM 777 N ASN A 49 2.678 6.967 2.268 1.00 0.00 N ATOM 778 CA ASN A 49 1.334 7.590 2.438 1.00 0.00 C ATOM 779 C ASN A 49 0.697 7.839 1.069 1.00 0.00 C ATOM 780 O ASN A 49 -0.509 7.898 0.937 1.00 0.00 O ATOM 781 CB ASN A 49 1.488 8.921 3.178 1.00 0.00 C ATOM 782 CG ASN A 49 2.341 9.873 2.340 1.00 0.00 C ATOM 783 OD1 ASN A 49 1.902 10.358 1.316 1.00 0.00 O ATOM 784 ND2 ASN A 49 3.551 10.165 2.733 1.00 0.00 N ATOM 0 H ASN A 49 3.467 7.579 2.476 1.00 0.00 H new ATOM 0 HA ASN A 49 0.694 6.919 3.011 1.00 0.00 H new ATOM 0 HB2 ASN A 49 0.508 9.361 3.364 1.00 0.00 H new ATOM 0 HB3 ASN A 49 1.954 8.758 4.150 1.00 0.00 H new ATOM 0 HD21 ASN A 49 4.127 10.800 2.181 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.920 9.758 3.592 1.00 0.00 H new ATOM 791 N SER A 50 1.496 7.993 0.048 1.00 0.00 N ATOM 792 CA SER A 50 0.931 8.244 -1.309 1.00 0.00 C ATOM 793 C SER A 50 0.049 7.067 -1.730 1.00 0.00 C ATOM 794 O SER A 50 -1.110 7.233 -2.050 1.00 0.00 O ATOM 795 CB SER A 50 2.074 8.406 -2.313 1.00 0.00 C ATOM 796 OG SER A 50 1.598 9.103 -3.457 1.00 0.00 O ATOM 0 H SER A 50 2.514 7.956 0.095 1.00 0.00 H new ATOM 0 HA SER A 50 0.330 9.153 -1.286 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.899 8.953 -1.857 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.460 7.429 -2.603 1.00 0.00 H new ATOM 0 HG SER A 50 2.287 9.098 -4.153 1.00 0.00 H new ATOM 802 N ILE A 51 0.591 5.879 -1.735 1.00 0.00 N ATOM 803 CA ILE A 51 -0.209 4.684 -2.138 1.00 0.00 C ATOM 804 C ILE A 51 -1.615 4.777 -1.531 1.00 0.00 C ATOM 805 O ILE A 51 -2.599 4.863 -2.238 1.00 0.00 O ATOM 806 CB ILE A 51 0.499 3.414 -1.635 1.00 0.00 C ATOM 807 CG1 ILE A 51 1.617 2.987 -2.606 1.00 0.00 C ATOM 808 CG2 ILE A 51 -0.502 2.258 -1.516 1.00 0.00 C ATOM 809 CD1 ILE A 51 2.230 4.201 -3.307 1.00 0.00 C ATOM 0 H ILE A 51 1.558 5.683 -1.476 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.296 4.645 -3.224 1.00 0.00 H new ATOM 0 HB ILE A 51 0.929 3.642 -0.660 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.392 2.449 -2.060 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.214 2.299 -3.349 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.013 1.366 -1.159 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.289 2.529 -0.812 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.943 2.056 -2.492 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.016 3.871 -3.986 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.458 4.723 -3.872 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.653 4.875 -2.563 1.00 0.00 H new ATOM 821 N ARG A 52 -1.717 4.755 -0.231 1.00 0.00 N ATOM 822 CA ARG A 52 -3.064 4.833 0.404 1.00 0.00 C ATOM 823 C ARG A 52 -3.843 5.995 -0.208 1.00 0.00 C ATOM 824 O ARG A 52 -5.031 5.904 -0.443 1.00 0.00 O ATOM 825 CB ARG A 52 -2.907 5.060 1.909 1.00 0.00 C ATOM 826 CG ARG A 52 -4.283 5.018 2.576 1.00 0.00 C ATOM 827 CD ARG A 52 -4.115 4.814 4.083 1.00 0.00 C ATOM 828 NE ARG A 52 -3.410 5.989 4.670 1.00 0.00 N ATOM 829 CZ ARG A 52 -4.082 7.062 4.985 1.00 0.00 C ATOM 830 NH1 ARG A 52 -5.063 6.988 5.843 1.00 0.00 N ATOM 831 NH2 ARG A 52 -3.774 8.209 4.444 1.00 0.00 N ATOM 0 H ARG A 52 -0.932 4.687 0.416 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.603 3.901 0.233 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.260 4.295 2.338 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.430 6.022 2.095 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.821 5.946 2.382 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.879 4.209 2.153 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.090 4.689 4.554 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.548 3.903 4.276 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.403 5.954 4.825 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.304 6.092 6.267 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.589 7.826 6.090 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.007 8.267 3.774 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.300 9.047 4.691 1.00 0.00 H new ATOM 845 N HIS A 53 -3.182 7.085 -0.475 1.00 0.00 N ATOM 846 CA HIS A 53 -3.881 8.252 -1.079 1.00 0.00 C ATOM 847 C HIS A 53 -4.155 7.971 -2.559 1.00 0.00 C ATOM 848 O HIS A 53 -5.222 8.252 -3.068 1.00 0.00 O ATOM 849 CB HIS A 53 -2.997 9.492 -0.947 1.00 0.00 C ATOM 850 CG HIS A 53 -3.821 10.722 -1.203 1.00 0.00 C ATOM 851 ND1 HIS A 53 -3.324 11.812 -1.898 1.00 0.00 N ATOM 852 CD2 HIS A 53 -5.112 11.046 -0.867 1.00 0.00 C ATOM 853 CE1 HIS A 53 -4.302 12.735 -1.956 1.00 0.00 C ATOM 854 NE2 HIS A 53 -5.414 12.319 -1.342 1.00 0.00 N ATOM 0 H HIS A 53 -2.186 7.219 -0.301 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.826 8.422 -0.563 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -2.559 9.535 0.050 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -2.171 9.440 -1.656 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -5.790 10.410 -0.318 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -4.201 13.695 -2.440 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -6.294 12.825 -1.243 1.00 0.00 H new ATOM 862 N ASN A 54 -3.198 7.418 -3.254 1.00 0.00 N ATOM 863 CA ASN A 54 -3.394 7.119 -4.701 1.00 0.00 C ATOM 864 C ASN A 54 -4.518 6.094 -4.869 1.00 0.00 C ATOM 865 O ASN A 54 -5.386 6.243 -5.707 1.00 0.00 O ATOM 866 CB ASN A 54 -2.100 6.548 -5.283 1.00 0.00 C ATOM 867 CG ASN A 54 -1.010 7.621 -5.259 1.00 0.00 C ATOM 868 OD1 ASN A 54 -1.140 8.649 -5.894 1.00 0.00 O ATOM 869 ND2 ASN A 54 0.067 7.425 -4.550 1.00 0.00 N ATOM 0 H ASN A 54 -2.285 7.159 -2.880 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.659 8.037 -5.225 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.782 5.679 -4.706 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.268 6.208 -6.305 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.800 8.134 -4.529 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.177 6.562 -4.017 1.00 0.00 H new ATOM 876 N LEU A 55 -4.511 5.053 -4.083 1.00 0.00 N ATOM 877 CA LEU A 55 -5.581 4.023 -4.207 1.00 0.00 C ATOM 878 C LEU A 55 -6.951 4.691 -4.070 1.00 0.00 C ATOM 879 O LEU A 55 -7.963 4.134 -4.446 1.00 0.00 O ATOM 880 CB LEU A 55 -5.416 2.976 -3.103 1.00 0.00 C ATOM 881 CG LEU A 55 -4.037 2.328 -3.207 1.00 0.00 C ATOM 882 CD1 LEU A 55 -3.873 1.296 -2.089 1.00 0.00 C ATOM 883 CD2 LEU A 55 -3.904 1.633 -4.562 1.00 0.00 C ATOM 0 H LEU A 55 -3.813 4.871 -3.362 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.505 3.540 -5.181 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.536 3.443 -2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.193 2.216 -3.191 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.267 3.094 -3.112 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.889 0.833 -2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.971 1.789 -1.122 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.642 0.530 -2.185 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.920 1.170 -4.638 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.674 0.867 -4.655 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.023 2.366 -5.360 1.00 0.00 H new ATOM 895 N SER A 56 -6.994 5.878 -3.529 1.00 0.00 N ATOM 896 CA SER A 56 -8.301 6.574 -3.362 1.00 0.00 C ATOM 897 C SER A 56 -8.613 7.406 -4.610 1.00 0.00 C ATOM 898 O SER A 56 -9.748 7.507 -5.029 1.00 0.00 O ATOM 899 CB SER A 56 -8.235 7.493 -2.142 1.00 0.00 C ATOM 900 OG SER A 56 -8.118 6.706 -0.965 1.00 0.00 O ATOM 0 H SER A 56 -6.181 6.396 -3.196 1.00 0.00 H new ATOM 0 HA SER A 56 -9.087 5.832 -3.221 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.384 8.169 -2.227 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.130 8.113 -2.091 1.00 0.00 H new ATOM 0 HG SER A 56 -7.180 6.456 -0.830 1.00 0.00 H new ATOM 906 N LEU A 57 -7.619 8.007 -5.204 1.00 0.00 N ATOM 907 CA LEU A 57 -7.873 8.835 -6.417 1.00 0.00 C ATOM 908 C LEU A 57 -7.775 7.962 -7.670 1.00 0.00 C ATOM 909 O LEU A 57 -8.368 8.255 -8.689 1.00 0.00 O ATOM 910 CB LEU A 57 -6.837 9.956 -6.500 1.00 0.00 C ATOM 911 CG LEU A 57 -6.855 10.763 -5.204 1.00 0.00 C ATOM 912 CD1 LEU A 57 -5.612 10.428 -4.376 1.00 0.00 C ATOM 913 CD2 LEU A 57 -6.859 12.257 -5.539 1.00 0.00 C ATOM 0 H LEU A 57 -6.645 7.961 -4.903 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.872 9.265 -6.352 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.845 9.537 -6.666 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.055 10.605 -7.348 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.748 10.515 -4.631 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.625 11.004 -3.451 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.608 9.364 -4.141 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.717 10.677 -4.946 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.872 12.837 -4.616 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.964 12.504 -6.110 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.744 12.495 -6.129 1.00 0.00 H new ATOM 925 N ASN A 58 -7.028 6.896 -7.606 1.00 0.00 N ATOM 926 CA ASN A 58 -6.892 6.014 -8.799 1.00 0.00 C ATOM 927 C ASN A 58 -8.284 5.692 -9.346 1.00 0.00 C ATOM 928 O ASN A 58 -9.221 5.483 -8.600 1.00 0.00 O ATOM 929 CB ASN A 58 -6.176 4.725 -8.399 1.00 0.00 C ATOM 930 CG ASN A 58 -4.676 5.002 -8.242 1.00 0.00 C ATOM 931 OD1 ASN A 58 -3.872 4.094 -8.290 1.00 0.00 O ATOM 932 ND2 ASN A 58 -4.261 6.228 -8.058 1.00 0.00 N ATOM 0 H ASN A 58 -6.507 6.597 -6.782 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.310 6.519 -9.570 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -6.586 4.344 -7.464 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.338 3.957 -9.155 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.264 6.419 -7.955 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.934 6.993 -8.017 1.00 0.00 H new ATOM 939 N ARG A 59 -8.436 5.671 -10.643 1.00 0.00 N ATOM 940 CA ARG A 59 -9.776 5.384 -11.228 1.00 0.00 C ATOM 941 C ARG A 59 -9.946 3.881 -11.478 1.00 0.00 C ATOM 942 O ARG A 59 -11.014 3.426 -11.835 1.00 0.00 O ATOM 943 CB ARG A 59 -9.926 6.145 -12.550 1.00 0.00 C ATOM 944 CG ARG A 59 -9.133 5.435 -13.651 1.00 0.00 C ATOM 945 CD ARG A 59 -10.064 4.502 -14.430 1.00 0.00 C ATOM 946 NE ARG A 59 -9.722 4.555 -15.880 1.00 0.00 N ATOM 947 CZ ARG A 59 -10.633 4.291 -16.778 1.00 0.00 C ATOM 948 NH1 ARG A 59 -11.768 3.754 -16.421 1.00 0.00 N ATOM 949 NH2 ARG A 59 -10.411 4.562 -18.035 1.00 0.00 N ATOM 0 H ARG A 59 -7.692 5.840 -11.320 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.543 5.708 -10.525 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -10.978 6.205 -12.828 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -9.568 7.168 -12.434 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.689 6.168 -14.324 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.313 4.866 -13.214 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -9.967 3.481 -14.060 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -11.102 4.798 -14.279 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.775 4.798 -16.171 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -11.945 3.540 -15.439 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -12.478 3.549 -17.124 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.525 4.981 -18.318 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -11.124 4.355 -18.735 1.00 0.00 H new ATOM 963 N TYR A 60 -8.912 3.104 -11.304 1.00 0.00 N ATOM 964 CA TYR A 60 -9.051 1.640 -11.549 1.00 0.00 C ATOM 965 C TYR A 60 -8.793 0.859 -10.261 1.00 0.00 C ATOM 966 O TYR A 60 -8.639 -0.345 -10.279 1.00 0.00 O ATOM 967 CB TYR A 60 -8.052 1.191 -12.614 1.00 0.00 C ATOM 968 CG TYR A 60 -6.757 1.960 -12.473 1.00 0.00 C ATOM 969 CD1 TYR A 60 -6.158 2.112 -11.216 1.00 0.00 C ATOM 970 CD2 TYR A 60 -6.151 2.512 -13.608 1.00 0.00 C ATOM 971 CE1 TYR A 60 -4.955 2.818 -11.096 1.00 0.00 C ATOM 972 CE2 TYR A 60 -4.950 3.218 -13.487 1.00 0.00 C ATOM 973 CZ TYR A 60 -4.352 3.372 -12.232 1.00 0.00 C ATOM 974 OH TYR A 60 -3.166 4.066 -12.115 1.00 0.00 O ATOM 0 H TYR A 60 -7.987 3.414 -11.006 1.00 0.00 H new ATOM 0 HA TYR A 60 -10.067 1.444 -11.893 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.861 0.122 -12.516 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -8.472 1.351 -13.607 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.624 1.685 -10.340 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.611 2.392 -14.578 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.492 2.935 -10.127 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.484 3.645 -14.363 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.318 5.011 -12.323 1.00 0.00 H new ATOM 984 N PHE A 61 -8.745 1.524 -9.144 1.00 0.00 N ATOM 985 CA PHE A 61 -8.498 0.797 -7.869 1.00 0.00 C ATOM 986 C PHE A 61 -9.741 0.885 -6.983 1.00 0.00 C ATOM 987 O PHE A 61 -10.447 1.875 -6.976 1.00 0.00 O ATOM 988 CB PHE A 61 -7.301 1.412 -7.144 1.00 0.00 C ATOM 989 CG PHE A 61 -6.012 1.085 -7.873 1.00 0.00 C ATOM 990 CD1 PHE A 61 -5.952 0.044 -8.819 1.00 0.00 C ATOM 991 CD2 PHE A 61 -4.862 1.830 -7.594 1.00 0.00 C ATOM 992 CE1 PHE A 61 -4.748 -0.239 -9.471 1.00 0.00 C ATOM 993 CE2 PHE A 61 -3.667 1.543 -8.248 1.00 0.00 C ATOM 994 CZ PHE A 61 -3.607 0.511 -9.184 1.00 0.00 C ATOM 0 H PHE A 61 -8.865 2.533 -9.057 1.00 0.00 H new ATOM 0 HA PHE A 61 -8.282 -0.249 -8.086 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.424 2.493 -7.079 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.254 1.034 -6.123 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -6.836 -0.536 -9.041 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.901 2.630 -6.869 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.701 -1.038 -10.196 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.782 2.122 -8.029 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.677 0.292 -9.687 1.00 0.00 H new ATOM 1004 N ILE A 62 -10.012 -0.149 -6.236 1.00 0.00 N ATOM 1005 CA ILE A 62 -11.209 -0.139 -5.348 1.00 0.00 C ATOM 1006 C ILE A 62 -10.894 -0.911 -4.063 1.00 0.00 C ATOM 1007 O ILE A 62 -9.803 -1.416 -3.885 1.00 0.00 O ATOM 1008 CB ILE A 62 -12.383 -0.804 -6.071 1.00 0.00 C ATOM 1009 CG1 ILE A 62 -12.152 -2.317 -6.139 1.00 0.00 C ATOM 1010 CG2 ILE A 62 -12.491 -0.245 -7.491 1.00 0.00 C ATOM 1011 CD1 ILE A 62 -13.367 -2.992 -6.777 1.00 0.00 C ATOM 0 H ILE A 62 -9.455 -1.003 -6.202 1.00 0.00 H new ATOM 0 HA ILE A 62 -11.472 0.889 -5.099 1.00 0.00 H new ATOM 0 HB ILE A 62 -13.305 -0.600 -5.527 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -11.256 -2.533 -6.721 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -11.986 -2.715 -5.138 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -13.327 -0.719 -8.006 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -12.655 0.832 -7.447 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -11.568 -0.449 -8.034 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -13.202 -4.068 -6.825 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -14.254 -2.787 -6.177 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -13.513 -2.602 -7.784 1.00 0.00 H new ATOM 1023 N LYS A 63 -11.838 -1.006 -3.165 1.00 0.00 N ATOM 1024 CA LYS A 63 -11.585 -1.745 -1.897 1.00 0.00 C ATOM 1025 C LYS A 63 -12.545 -2.934 -1.799 1.00 0.00 C ATOM 1026 O LYS A 63 -13.589 -2.953 -2.420 1.00 0.00 O ATOM 1027 CB LYS A 63 -11.807 -0.808 -0.707 1.00 0.00 C ATOM 1028 CG LYS A 63 -10.606 -0.887 0.235 1.00 0.00 C ATOM 1029 CD LYS A 63 -11.066 -1.375 1.610 1.00 0.00 C ATOM 1030 CE LYS A 63 -9.963 -1.120 2.639 1.00 0.00 C ATOM 1031 NZ LYS A 63 -10.289 0.104 3.423 1.00 0.00 N ATOM 0 H LYS A 63 -12.771 -0.604 -3.256 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.557 -2.107 -1.886 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.942 0.216 -1.057 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.718 -1.086 -0.176 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.856 -1.566 -0.171 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.135 0.092 0.324 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.979 -0.857 1.904 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -11.301 -2.439 1.570 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.867 -1.977 3.306 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.003 -0.998 2.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.540 0.278 4.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.359 0.919 2.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.196 -0.029 3.913 1.00 0.00 H new ATOM 1045 N VAL A 64 -12.198 -3.925 -1.026 1.00 0.00 N ATOM 1046 CA VAL A 64 -13.089 -5.113 -0.889 1.00 0.00 C ATOM 1047 C VAL A 64 -14.282 -4.757 0.004 1.00 0.00 C ATOM 1048 O VAL A 64 -14.227 -3.804 0.756 1.00 0.00 O ATOM 1049 CB VAL A 64 -12.301 -6.264 -0.260 1.00 0.00 C ATOM 1050 CG1 VAL A 64 -10.958 -6.412 -0.977 1.00 0.00 C ATOM 1051 CG2 VAL A 64 -12.056 -5.965 1.222 1.00 0.00 C ATOM 0 H VAL A 64 -11.336 -3.965 -0.483 1.00 0.00 H new ATOM 0 HA VAL A 64 -13.453 -5.414 -1.871 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.870 -7.189 -0.355 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.395 -7.232 -0.530 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.130 -6.623 -2.032 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.390 -5.487 -0.880 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -11.495 -6.785 1.671 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -11.487 -5.040 1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -13.012 -5.857 1.734 1.00 0.00 H new ATOM 1061 N PRO A 65 -15.326 -5.538 -0.107 1.00 0.00 N ATOM 1062 CA PRO A 65 -16.556 -5.336 0.680 1.00 0.00 C ATOM 1063 C PRO A 65 -16.358 -5.843 2.112 1.00 0.00 C ATOM 1064 O PRO A 65 -15.289 -6.288 2.480 1.00 0.00 O ATOM 1065 CB PRO A 65 -17.599 -6.177 -0.061 1.00 0.00 C ATOM 1066 CG PRO A 65 -16.811 -7.238 -0.866 1.00 0.00 C ATOM 1067 CD PRO A 65 -15.380 -6.694 -1.025 1.00 0.00 C ATOM 0 HA PRO A 65 -16.847 -4.289 0.766 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -18.285 -6.652 0.641 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -18.201 -5.555 -0.723 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -16.806 -8.195 -0.345 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -17.272 -7.407 -1.839 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -14.637 -7.446 -0.762 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -15.180 -6.395 -2.054 1.00 0.00 H new ATOM 1075 N ARG A 66 -17.378 -5.778 2.922 1.00 0.00 N ATOM 1076 CA ARG A 66 -17.239 -6.257 4.327 1.00 0.00 C ATOM 1077 C ARG A 66 -18.354 -7.256 4.639 1.00 0.00 C ATOM 1078 O ARG A 66 -19.401 -6.897 5.142 1.00 0.00 O ATOM 1079 CB ARG A 66 -17.333 -5.067 5.284 1.00 0.00 C ATOM 1080 CG ARG A 66 -15.952 -4.425 5.428 1.00 0.00 C ATOM 1081 CD ARG A 66 -16.109 -2.927 5.699 1.00 0.00 C ATOM 1082 NE ARG A 66 -14.964 -2.453 6.524 1.00 0.00 N ATOM 1083 CZ ARG A 66 -14.797 -2.917 7.733 1.00 0.00 C ATOM 1084 NH1 ARG A 66 -15.558 -2.494 8.705 1.00 0.00 N ATOM 1085 NH2 ARG A 66 -13.869 -3.803 7.968 1.00 0.00 N ATOM 0 H ARG A 66 -18.299 -5.416 2.674 1.00 0.00 H new ATOM 0 HA ARG A 66 -16.272 -6.745 4.450 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -18.049 -4.337 4.906 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -17.697 -5.396 6.257 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -15.403 -4.897 6.243 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -15.370 -4.582 4.520 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -16.146 -2.378 4.758 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -17.049 -2.736 6.217 1.00 0.00 H new ATOM 0 HE ARG A 66 -14.311 -1.767 6.145 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -16.283 -1.801 8.520 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -15.428 -2.856 9.649 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.274 -4.133 7.208 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -13.738 -4.166 8.912 1.00 0.00 H new ATOM 1099 N SER A 67 -18.135 -8.510 4.348 1.00 0.00 N ATOM 1100 CA SER A 67 -19.177 -9.537 4.629 1.00 0.00 C ATOM 1101 C SER A 67 -18.594 -10.607 5.555 1.00 0.00 C ATOM 1102 O SER A 67 -19.176 -11.655 5.755 1.00 0.00 O ATOM 1103 CB SER A 67 -19.621 -10.185 3.317 1.00 0.00 C ATOM 1104 OG SER A 67 -20.885 -9.657 2.935 1.00 0.00 O ATOM 0 H SER A 67 -17.277 -8.867 3.927 1.00 0.00 H new ATOM 0 HA SER A 67 -20.035 -9.066 5.109 1.00 0.00 H new ATOM 0 HB2 SER A 67 -18.884 -9.995 2.537 1.00 0.00 H new ATOM 0 HB3 SER A 67 -19.687 -11.266 3.436 1.00 0.00 H new ATOM 0 HG SER A 67 -21.171 -10.070 2.093 1.00 0.00 H new ATOM 1110 N GLN A 68 -17.446 -10.348 6.121 1.00 0.00 N ATOM 1111 CA GLN A 68 -16.822 -11.346 7.034 1.00 0.00 C ATOM 1112 C GLN A 68 -16.927 -10.849 8.477 1.00 0.00 C ATOM 1113 O GLN A 68 -17.254 -9.707 8.728 1.00 0.00 O ATOM 1114 CB GLN A 68 -15.347 -11.523 6.663 1.00 0.00 C ATOM 1115 CG GLN A 68 -14.699 -10.150 6.472 1.00 0.00 C ATOM 1116 CD GLN A 68 -14.562 -9.853 4.978 1.00 0.00 C ATOM 1117 OE1 GLN A 68 -15.524 -9.496 4.327 1.00 0.00 O ATOM 1118 NE2 GLN A 68 -13.398 -9.985 4.402 1.00 0.00 N ATOM 0 H GLN A 68 -16.914 -9.488 5.990 1.00 0.00 H new ATOM 0 HA GLN A 68 -17.339 -12.301 6.938 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -14.828 -12.076 7.446 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -15.259 -12.109 5.748 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -15.304 -9.381 6.952 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -13.719 -10.129 6.949 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.590 -10.285 4.948 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -13.297 -9.789 3.406 1.00 0.00 H new ATOM 1127 N GLU A 69 -16.651 -11.698 9.428 1.00 0.00 N ATOM 1128 CA GLU A 69 -16.733 -11.272 10.853 1.00 0.00 C ATOM 1129 C GLU A 69 -15.324 -11.195 11.446 1.00 0.00 C ATOM 1130 O GLU A 69 -14.922 -10.184 11.987 1.00 0.00 O ATOM 1131 CB GLU A 69 -17.565 -12.287 11.640 1.00 0.00 C ATOM 1132 CG GLU A 69 -18.465 -11.548 12.631 1.00 0.00 C ATOM 1133 CD GLU A 69 -17.778 -11.482 13.996 1.00 0.00 C ATOM 1134 OE1 GLU A 69 -17.973 -12.396 14.782 1.00 0.00 O ATOM 1135 OE2 GLU A 69 -17.068 -10.519 14.234 1.00 0.00 O ATOM 0 H GLU A 69 -16.372 -12.668 9.280 1.00 0.00 H new ATOM 0 HA GLU A 69 -17.204 -10.291 10.913 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -18.170 -12.884 10.958 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -16.909 -12.977 12.172 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -18.673 -10.541 12.268 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -19.423 -12.060 12.719 1.00 0.00 H new ATOM 1142 N GLU A 70 -14.572 -12.257 11.351 1.00 0.00 N ATOM 1143 CA GLU A 70 -13.190 -12.243 11.910 1.00 0.00 C ATOM 1144 C GLU A 70 -12.367 -13.364 11.265 1.00 0.00 C ATOM 1145 O GLU A 70 -11.981 -14.307 11.927 1.00 0.00 O ATOM 1146 CB GLU A 70 -13.252 -12.464 13.423 1.00 0.00 C ATOM 1147 CG GLU A 70 -12.726 -11.221 14.144 1.00 0.00 C ATOM 1148 CD GLU A 70 -11.204 -11.316 14.285 1.00 0.00 C ATOM 1149 OE1 GLU A 70 -10.689 -12.419 14.203 1.00 0.00 O ATOM 1150 OE2 GLU A 70 -10.581 -10.283 14.472 1.00 0.00 O ATOM 0 H GLU A 70 -14.854 -13.133 10.911 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.722 -11.281 11.700 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -14.278 -12.668 13.729 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -12.658 -13.335 13.698 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.995 -10.324 13.587 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.188 -11.136 15.128 1.00 0.00 H new ATOM 1157 N PRO A 71 -12.127 -13.223 9.986 1.00 0.00 N ATOM 1158 CA PRO A 71 -11.352 -14.209 9.210 1.00 0.00 C ATOM 1159 C PRO A 71 -9.852 -14.034 9.465 1.00 0.00 C ATOM 1160 O PRO A 71 -9.436 -13.174 10.214 1.00 0.00 O ATOM 1161 CB PRO A 71 -11.701 -13.872 7.757 1.00 0.00 C ATOM 1162 CG PRO A 71 -12.176 -12.400 7.753 1.00 0.00 C ATOM 1163 CD PRO A 71 -12.604 -12.072 9.196 1.00 0.00 C ATOM 0 HA PRO A 71 -11.585 -15.241 9.473 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -10.834 -14.002 7.109 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.482 -14.533 7.382 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.376 -11.736 7.426 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -13.007 -12.263 7.062 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -12.158 -11.140 9.541 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -13.685 -11.956 9.274 1.00 0.00 H new ATOM 1171 N GLY A 72 -9.038 -14.844 8.845 1.00 0.00 N ATOM 1172 CA GLY A 72 -7.566 -14.723 9.049 1.00 0.00 C ATOM 1173 C GLY A 72 -7.088 -13.371 8.515 1.00 0.00 C ATOM 1174 O GLY A 72 -5.989 -12.936 8.795 1.00 0.00 O ATOM 0 H GLY A 72 -9.328 -15.584 8.206 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.326 -14.813 10.108 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.049 -15.533 8.535 1.00 0.00 H new ATOM 1178 N LYS A 73 -7.905 -12.705 7.746 1.00 0.00 N ATOM 1179 CA LYS A 73 -7.498 -11.381 7.194 1.00 0.00 C ATOM 1180 C LYS A 73 -8.556 -10.333 7.546 1.00 0.00 C ATOM 1181 O LYS A 73 -9.324 -10.499 8.473 1.00 0.00 O ATOM 1182 CB LYS A 73 -7.366 -11.480 5.673 1.00 0.00 C ATOM 1183 CG LYS A 73 -6.598 -12.752 5.306 1.00 0.00 C ATOM 1184 CD LYS A 73 -5.935 -12.571 3.938 1.00 0.00 C ATOM 1185 CE LYS A 73 -5.472 -13.929 3.410 1.00 0.00 C ATOM 1186 NZ LYS A 73 -4.222 -14.337 4.113 1.00 0.00 N ATOM 0 H LYS A 73 -8.837 -13.020 7.476 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.540 -11.089 7.624 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.354 -11.494 5.212 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -6.846 -10.604 5.285 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.843 -12.965 6.063 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.276 -13.605 5.283 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -6.638 -12.118 3.239 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.086 -11.893 4.021 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -6.250 -14.676 3.566 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.296 -13.872 2.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.907 -15.261 3.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.480 -13.628 3.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.405 -14.407 5.134 1.00 0.00 H new ATOM 1200 N GLY A 74 -8.601 -9.252 6.813 1.00 0.00 N ATOM 1201 CA GLY A 74 -9.610 -8.194 7.106 1.00 0.00 C ATOM 1202 C GLY A 74 -9.812 -7.324 5.863 1.00 0.00 C ATOM 1203 O GLY A 74 -10.494 -7.706 4.932 1.00 0.00 O ATOM 0 H GLY A 74 -7.983 -9.057 6.025 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.555 -8.650 7.402 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -9.277 -7.580 7.943 1.00 0.00 H new ATOM 1207 N SER A 75 -9.224 -6.159 5.839 1.00 0.00 N ATOM 1208 CA SER A 75 -9.382 -5.266 4.656 1.00 0.00 C ATOM 1209 C SER A 75 -8.434 -5.724 3.543 1.00 0.00 C ATOM 1210 O SER A 75 -7.617 -6.602 3.737 1.00 0.00 O ATOM 1211 CB SER A 75 -9.045 -3.828 5.054 1.00 0.00 C ATOM 1212 OG SER A 75 -7.893 -3.831 5.888 1.00 0.00 O ATOM 0 H SER A 75 -8.640 -5.787 6.588 1.00 0.00 H new ATOM 0 HA SER A 75 -10.411 -5.312 4.300 1.00 0.00 H new ATOM 0 HB2 SER A 75 -8.863 -3.225 4.164 1.00 0.00 H new ATOM 0 HB3 SER A 75 -9.887 -3.376 5.578 1.00 0.00 H new ATOM 0 HG SER A 75 -7.672 -2.911 6.144 1.00 0.00 H new ATOM 1218 N PHE A 76 -8.535 -5.143 2.376 1.00 0.00 N ATOM 1219 CA PHE A 76 -7.635 -5.560 1.263 1.00 0.00 C ATOM 1220 C PHE A 76 -7.821 -4.634 0.058 1.00 0.00 C ATOM 1221 O PHE A 76 -8.913 -4.464 -0.448 1.00 0.00 O ATOM 1222 CB PHE A 76 -7.969 -6.997 0.857 1.00 0.00 C ATOM 1223 CG PHE A 76 -6.726 -7.848 0.952 1.00 0.00 C ATOM 1224 CD1 PHE A 76 -5.806 -7.869 -0.104 1.00 0.00 C ATOM 1225 CD2 PHE A 76 -6.494 -8.617 2.098 1.00 0.00 C ATOM 1226 CE1 PHE A 76 -4.655 -8.659 -0.012 1.00 0.00 C ATOM 1227 CE2 PHE A 76 -5.342 -9.408 2.190 1.00 0.00 C ATOM 1228 CZ PHE A 76 -4.423 -9.429 1.135 1.00 0.00 C ATOM 0 H PHE A 76 -9.198 -4.402 2.147 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.600 -5.500 1.599 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.748 -7.398 1.506 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.360 -7.017 -0.160 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -5.985 -7.276 -0.989 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -7.204 -8.600 2.912 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.945 -8.675 -0.826 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.163 -10.001 3.075 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.535 -10.039 1.205 1.00 0.00 H new ATOM 1238 N TRP A 77 -6.753 -4.044 -0.412 1.00 0.00 N ATOM 1239 CA TRP A 77 -6.849 -3.136 -1.593 1.00 0.00 C ATOM 1240 C TRP A 77 -6.870 -3.983 -2.869 1.00 0.00 C ATOM 1241 O TRP A 77 -6.392 -5.099 -2.887 1.00 0.00 O ATOM 1242 CB TRP A 77 -5.629 -2.212 -1.624 1.00 0.00 C ATOM 1243 CG TRP A 77 -6.008 -0.848 -1.145 1.00 0.00 C ATOM 1244 CD1 TRP A 77 -5.588 -0.289 0.014 1.00 0.00 C ATOM 1245 CD2 TRP A 77 -6.862 0.140 -1.789 1.00 0.00 C ATOM 1246 NE1 TRP A 77 -6.129 0.978 0.121 1.00 0.00 N ATOM 1247 CE2 TRP A 77 -6.922 1.288 -0.966 1.00 0.00 C ATOM 1248 CE3 TRP A 77 -7.585 0.152 -2.996 1.00 0.00 C ATOM 1249 CZ2 TRP A 77 -7.670 2.409 -1.326 1.00 0.00 C ATOM 1250 CZ3 TRP A 77 -8.340 1.278 -3.362 1.00 0.00 C ATOM 1251 CH2 TRP A 77 -8.382 2.405 -2.528 1.00 0.00 C ATOM 0 H TRP A 77 -5.815 -4.153 -0.027 1.00 0.00 H new ATOM 0 HA TRP A 77 -7.758 -2.538 -1.526 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -4.837 -2.620 -0.995 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -5.233 -2.153 -2.638 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -4.936 -0.757 0.737 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -5.963 1.607 0.907 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -7.559 -0.711 -3.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -7.699 3.274 -0.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -8.891 1.276 -4.291 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -8.964 3.268 -2.815 1.00 0.00 H new ATOM 1262 N ARG A 78 -7.420 -3.467 -3.938 1.00 0.00 N ATOM 1263 CA ARG A 78 -7.461 -4.259 -5.202 1.00 0.00 C ATOM 1264 C ARG A 78 -7.686 -3.331 -6.399 1.00 0.00 C ATOM 1265 O ARG A 78 -8.053 -2.183 -6.248 1.00 0.00 O ATOM 1266 CB ARG A 78 -8.607 -5.267 -5.128 1.00 0.00 C ATOM 1267 CG ARG A 78 -9.831 -4.600 -4.498 1.00 0.00 C ATOM 1268 CD ARG A 78 -11.102 -5.277 -5.012 1.00 0.00 C ATOM 1269 NE ARG A 78 -10.947 -6.756 -4.924 1.00 0.00 N ATOM 1270 CZ ARG A 78 -11.891 -7.481 -4.389 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -13.142 -7.227 -4.661 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -11.584 -8.463 -3.585 1.00 0.00 N ATOM 0 H ARG A 78 -7.839 -2.539 -3.990 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.512 -4.780 -5.326 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.851 -5.631 -6.126 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.307 -6.133 -4.538 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.780 -4.675 -3.412 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.847 -3.538 -4.744 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.962 -4.955 -4.424 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.293 -4.981 -6.044 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.103 -7.202 -5.282 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -13.382 -6.462 -5.292 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.880 -7.794 -4.243 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.606 -8.664 -3.375 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.322 -9.030 -3.167 1.00 0.00 H new ATOM 1286 N ILE A 79 -7.479 -3.826 -7.591 1.00 0.00 N ATOM 1287 CA ILE A 79 -7.694 -2.979 -8.798 1.00 0.00 C ATOM 1288 C ILE A 79 -8.940 -3.468 -9.543 1.00 0.00 C ATOM 1289 O ILE A 79 -9.347 -4.605 -9.407 1.00 0.00 O ATOM 1290 CB ILE A 79 -6.472 -3.063 -9.719 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -6.478 -4.404 -10.458 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -5.199 -2.947 -8.887 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -5.118 -4.630 -11.123 1.00 0.00 C ATOM 0 H ILE A 79 -7.171 -4.780 -7.779 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.835 -1.942 -8.493 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.508 -2.250 -10.444 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.692 -5.214 -9.761 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.268 -4.413 -11.209 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.330 -3.007 -9.542 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -5.193 -1.992 -8.362 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.163 -3.760 -8.161 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.124 -5.585 -11.648 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.922 -3.826 -11.833 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.338 -4.640 -10.362 1.00 0.00 H new ATOM 1305 N ASP A 80 -9.550 -2.620 -10.325 1.00 0.00 N ATOM 1306 CA ASP A 80 -10.769 -3.044 -11.072 1.00 0.00 C ATOM 1307 C ASP A 80 -10.416 -4.223 -11.984 1.00 0.00 C ATOM 1308 O ASP A 80 -9.310 -4.310 -12.478 1.00 0.00 O ATOM 1309 CB ASP A 80 -11.283 -1.876 -11.916 1.00 0.00 C ATOM 1310 CG ASP A 80 -12.739 -1.581 -11.549 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -13.012 -1.418 -10.372 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -13.557 -1.521 -12.452 1.00 0.00 O ATOM 0 H ASP A 80 -9.259 -1.655 -10.479 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.544 -3.347 -10.368 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.668 -0.992 -11.746 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.206 -2.118 -12.976 1.00 0.00 H new ATOM 1317 N PRO A 81 -11.368 -5.101 -12.170 1.00 0.00 N ATOM 1318 CA PRO A 81 -11.195 -6.302 -13.010 1.00 0.00 C ATOM 1319 C PRO A 81 -11.292 -5.954 -14.501 1.00 0.00 C ATOM 1320 O PRO A 81 -10.585 -6.509 -15.319 1.00 0.00 O ATOM 1321 CB PRO A 81 -12.359 -7.203 -12.588 1.00 0.00 C ATOM 1322 CG PRO A 81 -13.432 -6.272 -11.975 1.00 0.00 C ATOM 1323 CD PRO A 81 -12.707 -4.979 -11.557 1.00 0.00 C ATOM 0 HA PRO A 81 -10.220 -6.771 -12.878 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -12.759 -7.746 -13.444 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -12.031 -7.948 -11.863 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.219 -6.058 -12.699 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -13.909 -6.744 -11.116 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.231 -4.094 -11.918 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.642 -4.891 -10.472 1.00 0.00 H new ATOM 1331 N ALA A 82 -12.164 -5.054 -14.863 1.00 0.00 N ATOM 1332 CA ALA A 82 -12.301 -4.691 -16.305 1.00 0.00 C ATOM 1333 C ALA A 82 -11.345 -3.550 -16.648 1.00 0.00 C ATOM 1334 O ALA A 82 -11.262 -3.119 -17.780 1.00 0.00 O ATOM 1335 CB ALA A 82 -13.739 -4.256 -16.592 1.00 0.00 C ATOM 0 H ALA A 82 -12.786 -4.555 -14.227 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.056 -5.560 -16.915 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.836 -3.992 -17.645 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.420 -5.075 -16.359 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.987 -3.391 -15.977 1.00 0.00 H new ATOM 1341 N SER A 83 -10.608 -3.069 -15.688 1.00 0.00 N ATOM 1342 CA SER A 83 -9.647 -1.974 -15.974 1.00 0.00 C ATOM 1343 C SER A 83 -8.234 -2.545 -15.899 1.00 0.00 C ATOM 1344 O SER A 83 -7.268 -1.886 -16.227 1.00 0.00 O ATOM 1345 CB SER A 83 -9.804 -0.861 -14.936 1.00 0.00 C ATOM 1346 OG SER A 83 -11.180 -0.525 -14.807 1.00 0.00 O ATOM 0 H SER A 83 -10.631 -3.387 -14.719 1.00 0.00 H new ATOM 0 HA SER A 83 -9.837 -1.560 -16.964 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.406 -1.187 -13.975 1.00 0.00 H new ATOM 0 HB3 SER A 83 -9.231 0.016 -15.238 1.00 0.00 H new ATOM 0 HG SER A 83 -11.282 0.187 -14.141 1.00 0.00 H new ATOM 1352 N GLU A 84 -8.110 -3.775 -15.468 1.00 0.00 N ATOM 1353 CA GLU A 84 -6.766 -4.394 -15.360 1.00 0.00 C ATOM 1354 C GLU A 84 -6.083 -4.380 -16.722 1.00 0.00 C ATOM 1355 O GLU A 84 -5.031 -3.802 -16.881 1.00 0.00 O ATOM 1356 CB GLU A 84 -6.907 -5.838 -14.873 1.00 0.00 C ATOM 1357 CG GLU A 84 -7.418 -5.839 -13.433 1.00 0.00 C ATOM 1358 CD GLU A 84 -6.750 -6.971 -12.652 1.00 0.00 C ATOM 1359 OE1 GLU A 84 -5.553 -7.147 -12.805 1.00 0.00 O ATOM 1360 OE2 GLU A 84 -7.449 -7.644 -11.911 1.00 0.00 O ATOM 0 H GLU A 84 -8.887 -4.374 -15.187 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.164 -3.828 -14.650 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.597 -6.385 -15.516 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.946 -6.348 -14.930 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.203 -4.881 -12.960 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.501 -5.965 -13.421 1.00 0.00 H new ATOM 1367 N ALA A 85 -6.668 -5.000 -17.708 1.00 0.00 N ATOM 1368 CA ALA A 85 -6.029 -5.005 -19.052 1.00 0.00 C ATOM 1369 C ALA A 85 -5.636 -3.577 -19.435 1.00 0.00 C ATOM 1370 O ALA A 85 -4.771 -3.363 -20.261 1.00 0.00 O ATOM 1371 CB ALA A 85 -7.011 -5.563 -20.085 1.00 0.00 C ATOM 0 H ALA A 85 -7.555 -5.500 -17.642 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.137 -5.632 -19.028 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.542 -5.566 -21.069 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.287 -6.581 -19.812 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.905 -4.940 -20.111 1.00 0.00 H new ATOM 1377 N LYS A 86 -6.260 -2.597 -18.841 1.00 0.00 N ATOM 1378 CA LYS A 86 -5.912 -1.189 -19.177 1.00 0.00 C ATOM 1379 C LYS A 86 -4.774 -0.714 -18.272 1.00 0.00 C ATOM 1380 O LYS A 86 -3.724 -0.321 -18.738 1.00 0.00 O ATOM 1381 CB LYS A 86 -7.133 -0.292 -18.972 1.00 0.00 C ATOM 1382 CG LYS A 86 -7.132 0.814 -20.030 1.00 0.00 C ATOM 1383 CD LYS A 86 -7.351 2.170 -19.354 1.00 0.00 C ATOM 1384 CE LYS A 86 -6.070 2.599 -18.637 1.00 0.00 C ATOM 1385 NZ LYS A 86 -4.945 2.660 -19.614 1.00 0.00 N ATOM 0 H LYS A 86 -6.993 -2.710 -18.140 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.596 -1.136 -20.219 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.047 -0.881 -19.046 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.114 0.144 -17.973 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.185 0.814 -20.570 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.917 0.631 -20.763 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.631 2.917 -20.097 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.174 2.104 -18.642 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.212 3.573 -18.170 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.834 1.894 -17.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.344 3.481 -19.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.379 1.790 -19.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.326 2.752 -20.577 1.00 0.00 H new ATOM 1399 N LEU A 87 -4.970 -0.736 -16.983 1.00 0.00 N ATOM 1400 CA LEU A 87 -3.890 -0.271 -16.067 1.00 0.00 C ATOM 1401 C LEU A 87 -2.603 -1.026 -16.354 1.00 0.00 C ATOM 1402 O LEU A 87 -1.578 -0.447 -16.659 1.00 0.00 O ATOM 1403 CB LEU A 87 -4.283 -0.506 -14.603 1.00 0.00 C ATOM 1404 CG LEU A 87 -5.115 -1.787 -14.459 1.00 0.00 C ATOM 1405 CD1 LEU A 87 -4.415 -2.759 -13.514 1.00 0.00 C ATOM 1406 CD2 LEU A 87 -6.477 -1.443 -13.864 1.00 0.00 C ATOM 0 H LEU A 87 -5.825 -1.053 -16.526 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.742 0.796 -16.234 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.386 -0.579 -13.989 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.853 0.346 -14.234 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.231 -2.242 -15.443 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.012 -3.666 -13.417 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.433 -3.012 -13.914 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.299 -2.295 -12.535 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.069 -2.352 -13.761 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.341 -0.986 -12.884 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.995 -0.745 -14.521 1.00 0.00 H new ATOM 1418 N VAL A 88 -2.650 -2.310 -16.245 1.00 0.00 N ATOM 1419 CA VAL A 88 -1.445 -3.131 -16.491 1.00 0.00 C ATOM 1420 C VAL A 88 -0.667 -2.613 -17.703 1.00 0.00 C ATOM 1421 O VAL A 88 0.539 -2.731 -17.772 1.00 0.00 O ATOM 1422 CB VAL A 88 -1.888 -4.539 -16.789 1.00 0.00 C ATOM 1423 CG1 VAL A 88 -2.566 -5.149 -15.561 1.00 0.00 C ATOM 1424 CG2 VAL A 88 -2.865 -4.501 -17.960 1.00 0.00 C ATOM 0 H VAL A 88 -3.485 -2.838 -15.992 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.803 -3.087 -15.611 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.024 -5.153 -17.044 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.882 -6.167 -15.788 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.864 -5.165 -14.728 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.436 -4.551 -15.291 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.197 -5.513 -18.190 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.727 -3.888 -17.695 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.371 -4.074 -18.833 1.00 0.00 H new ATOM 1434 N GLU A 89 -1.346 -2.060 -18.667 1.00 0.00 N ATOM 1435 CA GLU A 89 -0.632 -1.562 -19.877 1.00 0.00 C ATOM 1436 C GLU A 89 0.489 -0.631 -19.429 1.00 0.00 C ATOM 1437 O GLU A 89 1.614 -0.733 -19.877 1.00 0.00 O ATOM 1438 CB GLU A 89 -1.604 -0.795 -20.776 1.00 0.00 C ATOM 1439 CG GLU A 89 -2.494 -1.784 -21.531 1.00 0.00 C ATOM 1440 CD GLU A 89 -1.863 -2.102 -22.887 1.00 0.00 C ATOM 1441 OE1 GLU A 89 -1.745 -1.192 -23.690 1.00 0.00 O ATOM 1442 OE2 GLU A 89 -1.509 -3.250 -23.099 1.00 0.00 O ATOM 0 H GLU A 89 -2.358 -1.931 -18.672 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.222 -2.403 -20.437 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.217 -0.123 -20.176 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.051 -0.176 -21.482 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.615 -2.698 -20.950 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -3.489 -1.362 -21.671 1.00 0.00 H new ATOM 1449 N GLN A 90 0.200 0.257 -18.525 1.00 0.00 N ATOM 1450 CA GLN A 90 1.258 1.168 -18.023 1.00 0.00 C ATOM 1451 C GLN A 90 2.028 0.441 -16.919 1.00 0.00 C ATOM 1452 O GLN A 90 3.131 0.807 -16.566 1.00 0.00 O ATOM 1453 CB GLN A 90 0.617 2.438 -17.457 1.00 0.00 C ATOM 1454 CG GLN A 90 -0.418 2.973 -18.449 1.00 0.00 C ATOM 1455 CD GLN A 90 0.295 3.525 -19.685 1.00 0.00 C ATOM 1456 OE1 GLN A 90 0.482 4.719 -19.811 1.00 0.00 O ATOM 1457 NE2 GLN A 90 0.708 2.700 -20.608 1.00 0.00 N ATOM 0 H GLN A 90 -0.723 0.391 -18.112 1.00 0.00 H new ATOM 0 HA GLN A 90 1.933 1.447 -18.832 1.00 0.00 H new ATOM 0 HB2 GLN A 90 0.142 2.223 -16.500 1.00 0.00 H new ATOM 0 HB3 GLN A 90 1.382 3.192 -17.271 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -1.105 2.178 -18.738 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.015 3.756 -17.981 1.00 0.00 H new ATOM 0 HE21 GLN A 90 0.552 1.698 -20.503 1.00 0.00 H new ATOM 0 HE22 GLN A 90 1.187 3.058 -21.434 1.00 0.00 H new ATOM 1466 N ALA A 91 1.446 -0.594 -16.372 1.00 0.00 N ATOM 1467 CA ALA A 91 2.126 -1.357 -15.288 1.00 0.00 C ATOM 1468 C ALA A 91 3.336 -2.103 -15.855 1.00 0.00 C ATOM 1469 O ALA A 91 4.296 -2.366 -15.158 1.00 0.00 O ATOM 1470 CB ALA A 91 1.147 -2.357 -14.677 1.00 0.00 C ATOM 0 H ALA A 91 0.524 -0.944 -16.632 1.00 0.00 H new ATOM 0 HA ALA A 91 2.464 -0.663 -14.519 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.645 -2.915 -13.884 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.292 -1.823 -14.263 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.805 -3.048 -15.447 1.00 0.00 H new ATOM 1476 N PHE A 92 3.298 -2.448 -17.111 1.00 0.00 N ATOM 1477 CA PHE A 92 4.447 -3.180 -17.716 1.00 0.00 C ATOM 1478 C PHE A 92 5.533 -2.181 -18.128 1.00 0.00 C ATOM 1479 O PHE A 92 6.607 -2.150 -17.560 1.00 0.00 O ATOM 1480 CB PHE A 92 3.969 -3.955 -18.947 1.00 0.00 C ATOM 1481 CG PHE A 92 3.288 -5.236 -18.516 1.00 0.00 C ATOM 1482 CD1 PHE A 92 2.795 -5.370 -17.210 1.00 0.00 C ATOM 1483 CD2 PHE A 92 3.149 -6.292 -19.426 1.00 0.00 C ATOM 1484 CE1 PHE A 92 2.166 -6.558 -16.817 1.00 0.00 C ATOM 1485 CE2 PHE A 92 2.520 -7.478 -19.032 1.00 0.00 C ATOM 1486 CZ PHE A 92 2.028 -7.612 -17.728 1.00 0.00 C ATOM 0 H PHE A 92 2.523 -2.256 -17.745 1.00 0.00 H new ATOM 0 HA PHE A 92 4.857 -3.878 -16.986 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.278 -3.343 -19.527 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.815 -4.183 -19.595 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.900 -4.557 -16.507 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.528 -6.191 -20.432 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.787 -6.661 -15.811 1.00 0.00 H new ATOM 0 HE2 PHE A 92 2.414 -8.291 -19.735 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.542 -8.528 -17.425 1.00 0.00 H new ATOM 1496 N ARG A 93 5.265 -1.366 -19.113 1.00 0.00 N ATOM 1497 CA ARG A 93 6.286 -0.374 -19.558 1.00 0.00 C ATOM 1498 C ARG A 93 5.876 1.028 -19.102 1.00 0.00 C ATOM 1499 O ARG A 93 4.708 1.327 -18.952 1.00 0.00 O ATOM 1500 CB ARG A 93 6.394 -0.401 -21.086 1.00 0.00 C ATOM 1501 CG ARG A 93 4.994 -0.480 -21.698 1.00 0.00 C ATOM 1502 CD ARG A 93 5.009 0.148 -23.093 1.00 0.00 C ATOM 1503 NE ARG A 93 6.170 -0.380 -23.865 1.00 0.00 N ATOM 1504 CZ ARG A 93 6.587 0.250 -24.930 1.00 0.00 C ATOM 1505 NH1 ARG A 93 6.871 1.522 -24.866 1.00 0.00 N ATOM 1506 NH2 ARG A 93 6.717 -0.392 -26.059 1.00 0.00 N ATOM 0 H ARG A 93 4.385 -1.344 -19.628 1.00 0.00 H new ATOM 0 HA ARG A 93 7.251 -0.629 -19.119 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.907 0.493 -21.440 1.00 0.00 H new ATOM 0 HB3 ARG A 93 6.990 -1.257 -21.404 1.00 0.00 H new ATOM 0 HG2 ARG A 93 4.671 -1.519 -21.759 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.278 0.040 -21.062 1.00 0.00 H new ATOM 0 HD2 ARG A 93 4.079 -0.078 -23.615 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.075 1.233 -23.014 1.00 0.00 H new ATOM 0 HE ARG A 93 6.639 -1.234 -23.561 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.767 2.024 -23.984 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.197 2.014 -25.698 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.493 -1.386 -26.109 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.043 0.100 -26.891 1.00 0.00 H new ATOM 1520 N LYS A 94 6.831 1.890 -18.881 1.00 0.00 N ATOM 1521 CA LYS A 94 6.503 3.274 -18.436 1.00 0.00 C ATOM 1522 C LYS A 94 7.400 4.272 -19.171 1.00 0.00 C ATOM 1523 O LYS A 94 6.959 5.000 -20.037 1.00 0.00 O ATOM 1524 CB LYS A 94 6.739 3.396 -16.931 1.00 0.00 C ATOM 1525 CG LYS A 94 5.667 4.302 -16.318 1.00 0.00 C ATOM 1526 CD LYS A 94 5.922 5.751 -16.737 1.00 0.00 C ATOM 1527 CE LYS A 94 5.122 6.070 -18.002 1.00 0.00 C ATOM 1528 NZ LYS A 94 4.081 7.087 -17.687 1.00 0.00 N ATOM 0 H LYS A 94 7.826 1.695 -18.990 1.00 0.00 H new ATOM 0 HA LYS A 94 5.458 3.488 -18.660 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.707 2.411 -16.466 1.00 0.00 H new ATOM 0 HB3 LYS A 94 7.730 3.807 -16.740 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.677 3.986 -16.647 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.683 4.218 -15.231 1.00 0.00 H new ATOM 0 HD2 LYS A 94 5.635 6.428 -15.933 1.00 0.00 H new ATOM 0 HD3 LYS A 94 6.986 5.905 -16.919 1.00 0.00 H new ATOM 0 HE2 LYS A 94 5.787 6.443 -18.781 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.655 5.164 -18.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.537 7.304 -18.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.441 6.714 -16.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 4.537 7.954 -17.338 1.00 0.00 H new ATOM 1542 N ARG A 95 8.659 4.309 -18.828 1.00 0.00 N ATOM 1543 CA ARG A 95 9.592 5.255 -19.501 1.00 0.00 C ATOM 1544 C ARG A 95 11.018 4.708 -19.407 1.00 0.00 C ATOM 1545 O ARG A 95 11.335 3.925 -18.533 1.00 0.00 O ATOM 1546 CB ARG A 95 9.518 6.627 -18.820 1.00 0.00 C ATOM 1547 CG ARG A 95 9.449 6.454 -17.300 1.00 0.00 C ATOM 1548 CD ARG A 95 8.653 7.611 -16.692 1.00 0.00 C ATOM 1549 NE ARG A 95 9.577 8.515 -15.952 1.00 0.00 N ATOM 1550 CZ ARG A 95 9.110 9.319 -15.037 1.00 0.00 C ATOM 1551 NH1 ARG A 95 7.822 9.501 -14.922 1.00 0.00 N ATOM 1552 NH2 ARG A 95 9.930 9.942 -14.236 1.00 0.00 N ATOM 0 H ARG A 95 9.082 3.723 -18.108 1.00 0.00 H new ATOM 0 HA ARG A 95 9.311 5.362 -20.549 1.00 0.00 H new ATOM 0 HB2 ARG A 95 10.391 7.222 -19.087 1.00 0.00 H new ATOM 0 HB3 ARG A 95 8.641 7.170 -19.173 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.977 5.503 -17.052 1.00 0.00 H new ATOM 0 HG3 ARG A 95 10.454 6.429 -16.880 1.00 0.00 H new ATOM 0 HD2 ARG A 95 8.138 8.164 -17.477 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.888 7.225 -16.019 1.00 0.00 H new ATOM 0 HE ARG A 95 10.575 8.505 -16.161 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.180 9.014 -15.548 1.00 0.00 H new ATOM 0 HH12 ARG A 95 7.458 10.130 -14.206 1.00 0.00 H new ATOM 0 HH21 ARG A 95 10.936 9.800 -14.325 1.00 0.00 H new ATOM 0 HH22 ARG A 95 9.565 10.571 -13.521 1.00 0.00 H new ATOM 1566 N ARG A 96 11.878 5.104 -20.306 1.00 0.00 N ATOM 1567 CA ARG A 96 13.278 4.595 -20.270 1.00 0.00 C ATOM 1568 C ARG A 96 14.250 5.754 -20.037 1.00 0.00 C ATOM 1569 O ARG A 96 14.176 6.780 -20.683 1.00 0.00 O ATOM 1570 CB ARG A 96 13.605 3.918 -21.603 1.00 0.00 C ATOM 1571 CG ARG A 96 13.421 4.921 -22.744 1.00 0.00 C ATOM 1572 CD ARG A 96 14.784 5.265 -23.346 1.00 0.00 C ATOM 1573 NE ARG A 96 14.716 6.599 -24.007 1.00 0.00 N ATOM 1574 CZ ARG A 96 14.497 6.680 -25.290 1.00 0.00 C ATOM 1575 NH1 ARG A 96 15.472 6.470 -26.132 1.00 0.00 N ATOM 1576 NH2 ARG A 96 13.304 6.970 -25.732 1.00 0.00 N ATOM 0 H ARG A 96 11.672 5.757 -21.062 1.00 0.00 H new ATOM 0 HA ARG A 96 13.377 3.876 -19.457 1.00 0.00 H new ATOM 0 HB2 ARG A 96 14.630 3.547 -21.593 1.00 0.00 H new ATOM 0 HB3 ARG A 96 12.955 3.056 -21.754 1.00 0.00 H new ATOM 0 HG2 ARG A 96 12.769 4.501 -23.510 1.00 0.00 H new ATOM 0 HG3 ARG A 96 12.937 5.825 -22.374 1.00 0.00 H new ATOM 0 HD2 ARG A 96 15.546 5.273 -22.566 1.00 0.00 H new ATOM 0 HD3 ARG A 96 15.076 4.504 -24.070 1.00 0.00 H new ATOM 0 HE ARG A 96 14.841 7.448 -23.456 1.00 0.00 H new ATOM 0 HH11 ARG A 96 16.404 6.243 -25.786 1.00 0.00 H new ATOM 0 HH12 ARG A 96 15.302 6.533 -27.136 1.00 0.00 H new ATOM 0 HH21 ARG A 96 12.542 7.134 -25.074 1.00 0.00 H new ATOM 0 HH22 ARG A 96 13.133 7.033 -26.736 1.00 0.00 H new ATOM 1590 N GLN A 97 15.166 5.591 -19.122 1.00 0.00 N ATOM 1591 CA GLN A 97 16.151 6.676 -18.849 1.00 0.00 C ATOM 1592 C GLN A 97 17.563 6.142 -19.101 1.00 0.00 C ATOM 1593 O GLN A 97 17.746 4.995 -19.458 1.00 0.00 O ATOM 1594 CB GLN A 97 16.028 7.126 -17.390 1.00 0.00 C ATOM 1595 CG GLN A 97 15.200 8.412 -17.316 1.00 0.00 C ATOM 1596 CD GLN A 97 15.879 9.402 -16.368 1.00 0.00 C ATOM 1597 OE1 GLN A 97 16.501 9.008 -15.402 1.00 0.00 O ATOM 1598 NE2 GLN A 97 15.787 10.682 -16.605 1.00 0.00 N ATOM 0 H GLN A 97 15.275 4.753 -18.551 1.00 0.00 H new ATOM 0 HA GLN A 97 15.954 7.525 -19.504 1.00 0.00 H new ATOM 0 HB2 GLN A 97 15.556 6.343 -16.796 1.00 0.00 H new ATOM 0 HB3 GLN A 97 17.018 7.294 -16.966 1.00 0.00 H new ATOM 0 HG2 GLN A 97 15.102 8.852 -18.309 1.00 0.00 H new ATOM 0 HG3 GLN A 97 14.192 8.189 -16.965 1.00 0.00 H new ATOM 0 HE21 GLN A 97 15.265 11.014 -17.416 1.00 0.00 H new ATOM 0 HE22 GLN A 97 16.237 11.350 -15.979 1.00 0.00 H new ATOM 1607 N ARG A 98 18.565 6.958 -18.920 1.00 0.00 N ATOM 1608 CA ARG A 98 19.957 6.481 -19.151 1.00 0.00 C ATOM 1609 C ARG A 98 20.598 6.118 -17.810 1.00 0.00 C ATOM 1610 O ARG A 98 19.919 5.883 -16.830 1.00 0.00 O ATOM 1611 CB ARG A 98 20.774 7.584 -19.825 1.00 0.00 C ATOM 1612 CG ARG A 98 21.415 7.037 -21.104 1.00 0.00 C ATOM 1613 CD ARG A 98 20.342 6.860 -22.179 1.00 0.00 C ATOM 1614 NE ARG A 98 20.824 7.454 -23.456 1.00 0.00 N ATOM 1615 CZ ARG A 98 21.295 8.671 -23.472 1.00 0.00 C ATOM 1616 NH1 ARG A 98 20.475 9.685 -23.500 1.00 0.00 N ATOM 1617 NH2 ARG A 98 22.584 8.874 -23.453 1.00 0.00 N ATOM 0 H ARG A 98 18.480 7.930 -18.623 1.00 0.00 H new ATOM 0 HA ARG A 98 19.937 5.603 -19.796 1.00 0.00 H new ATOM 0 HB2 ARG A 98 20.133 8.433 -20.062 1.00 0.00 H new ATOM 0 HB3 ARG A 98 21.545 7.947 -19.145 1.00 0.00 H new ATOM 0 HG2 ARG A 98 22.188 7.720 -21.456 1.00 0.00 H new ATOM 0 HG3 ARG A 98 21.901 6.083 -20.900 1.00 0.00 H new ATOM 0 HD2 ARG A 98 20.120 5.802 -22.317 1.00 0.00 H new ATOM 0 HD3 ARG A 98 19.415 7.342 -21.867 1.00 0.00 H new ATOM 0 HE ARG A 98 20.786 6.910 -24.318 1.00 0.00 H new ATOM 0 HH11 ARG A 98 19.468 9.526 -23.509 1.00 0.00 H new ATOM 0 HH12 ARG A 98 20.841 10.637 -23.513 1.00 0.00 H new ATOM 0 HH21 ARG A 98 23.225 8.081 -23.426 1.00 0.00 H new ATOM 0 HH22 ARG A 98 22.951 9.826 -23.466 1.00 0.00 H new ATOM 1631 N GLY A 99 21.901 6.073 -17.756 1.00 0.00 N ATOM 1632 CA GLY A 99 22.581 5.727 -16.476 1.00 0.00 C ATOM 1633 C GLY A 99 22.859 7.007 -15.686 1.00 0.00 C ATOM 1634 O GLY A 99 22.099 7.389 -14.817 1.00 0.00 O ATOM 0 H GLY A 99 22.523 6.261 -18.542 1.00 0.00 H new ATOM 0 HA2 GLY A 99 21.956 5.053 -15.890 1.00 0.00 H new ATOM 0 HA3 GLY A 99 23.514 5.201 -16.678 1.00 0.00 H new ATOM 1638 N VAL A 100 23.940 7.673 -15.980 1.00 0.00 N ATOM 1639 CA VAL A 100 24.266 8.929 -15.245 1.00 0.00 C ATOM 1640 C VAL A 100 24.884 9.938 -16.215 1.00 0.00 C ATOM 1641 O VAL A 100 24.362 11.015 -16.422 1.00 0.00 O ATOM 1642 CB VAL A 100 25.261 8.643 -14.110 1.00 0.00 C ATOM 1643 CG1 VAL A 100 24.743 9.270 -12.814 1.00 0.00 C ATOM 1644 CG2 VAL A 100 25.419 7.131 -13.905 1.00 0.00 C ATOM 0 H VAL A 100 24.613 7.403 -16.697 1.00 0.00 H new ATOM 0 HA VAL A 100 23.349 9.335 -14.818 1.00 0.00 H new ATOM 0 HB VAL A 100 26.228 9.070 -14.375 1.00 0.00 H new ATOM 0 HG11 VAL A 100 25.447 9.069 -12.006 1.00 0.00 H new ATOM 0 HG12 VAL A 100 24.640 10.347 -12.946 1.00 0.00 H new ATOM 0 HG13 VAL A 100 23.772 8.841 -12.565 1.00 0.00 H new ATOM 0 HG21 VAL A 100 26.127 6.945 -13.097 1.00 0.00 H new ATOM 0 HG22 VAL A 100 24.453 6.696 -13.648 1.00 0.00 H new ATOM 0 HG23 VAL A 100 25.789 6.676 -14.824 1.00 0.00 H new ATOM 1654 N SER A 101 25.995 9.598 -16.813 1.00 0.00 N ATOM 1655 CA SER A 101 26.645 10.538 -17.768 1.00 0.00 C ATOM 1656 C SER A 101 27.267 9.745 -18.918 1.00 0.00 C ATOM 1657 O SER A 101 27.073 10.138 -20.057 1.00 0.00 O ATOM 1658 CB SER A 101 27.735 11.328 -17.045 1.00 0.00 C ATOM 1659 OG SER A 101 27.134 12.343 -16.252 1.00 0.00 O ATOM 1660 OXT SER A 101 27.929 8.758 -18.641 1.00 0.00 O ATOM 0 H SER A 101 26.479 8.710 -16.681 1.00 0.00 H new ATOM 0 HA SER A 101 25.899 11.228 -18.163 1.00 0.00 H new ATOM 0 HB2 SER A 101 28.326 10.662 -16.416 1.00 0.00 H new ATOM 0 HB3 SER A 101 28.418 11.773 -17.769 1.00 0.00 H new ATOM 0 HG SER A 101 26.161 12.223 -16.249 1.00 0.00 H new TER 1666 SER A 101