USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 458 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 8 LYS NZ :NH3+ -151:sc= 0.817 (180deg=0.176) USER MOD Set 1.2: A 14 TYR OH : rot 180:sc= 0.0362 USER MOD Single : A 1 VAL N :NH3+ 166:sc= -0.139 (180deg=-0.522) USER MOD Single : A 5 TYR OH : rot 150:sc= -0.674 USER MOD Single : A 11 ASN : amide:sc= -2.4 K(o=-2.4,f=-11!) USER MOD Single : A 19 THR OG1 : rot -67:sc= 0.837 USER MOD Single : A 20 GLN : amide:sc= -0.0326 X(o=-0.033,f=0) USER MOD Single : A 23 ASN : amide:sc= -0.336 X(o=-0.34,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -80:sc= 0.564 USER MOD Single : A 29 ASN : amide:sc= -2.89 K(o=-2.9,f=-6.7!) USER MOD Single : A 33 SER OG : rot 56:sc= 0.402 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.32) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.409 X(o=-0.41,f=-0.69) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.26 X(o=-0.26,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 1.986 -0.564 0.159 1.00 42.13 N ATOM 2 CA VAL A 1 2.757 -0.539 -1.079 1.00 11.13 C ATOM 3 C VAL A 1 3.554 0.755 -1.204 1.00 31.33 C ATOM 4 O VAL A 1 3.394 1.674 -0.401 1.00 52.41 O ATOM 5 CB VAL A 1 1.845 -0.688 -2.311 1.00 21.50 C ATOM 6 CG1 VAL A 1 1.468 -2.147 -2.523 1.00 11.25 C ATOM 7 CG2 VAL A 1 0.602 0.176 -2.162 1.00 4.03 C ATOM 0 H1 VAL A 1 1.281 -1.327 0.114 1.00 42.13 H new ATOM 0 H2 VAL A 1 2.625 -0.730 0.963 1.00 42.13 H new ATOM 0 H3 VAL A 1 1.502 0.348 0.285 1.00 42.13 H new ATOM 0 HA VAL A 1 3.445 -1.384 -1.041 1.00 11.13 H new ATOM 0 HB VAL A 1 2.393 -0.347 -3.190 1.00 21.50 H new ATOM 0 HG11 VAL A 1 0.823 -2.233 -3.398 1.00 11.25 H new ATOM 0 HG12 VAL A 1 2.371 -2.737 -2.678 1.00 11.25 H new ATOM 0 HG13 VAL A 1 0.939 -2.517 -1.645 1.00 11.25 H new ATOM 0 HG21 VAL A 1 -0.031 0.058 -3.042 1.00 4.03 H new ATOM 0 HG22 VAL A 1 0.050 -0.131 -1.274 1.00 4.03 H new ATOM 0 HG23 VAL A 1 0.895 1.221 -2.063 1.00 4.03 H new ATOM 17 N ARG A 2 4.413 0.819 -2.216 1.00 34.40 N ATOM 18 CA ARG A 2 5.236 2.000 -2.446 1.00 73.22 C ATOM 19 C ARG A 2 5.634 2.107 -3.915 1.00 55.34 C ATOM 20 O ARG A 2 5.821 1.097 -4.594 1.00 1.14 O ATOM 21 CB ARG A 2 6.489 1.953 -1.570 1.00 14.24 C ATOM 22 CG ARG A 2 7.461 0.851 -1.955 1.00 62.35 C ATOM 23 CD ARG A 2 6.995 -0.506 -1.450 1.00 52.43 C ATOM 24 NE ARG A 2 7.995 -1.147 -0.601 1.00 50.11 N ATOM 25 CZ ARG A 2 9.161 -1.597 -1.051 1.00 1.04 C ATOM 26 NH1 ARG A 2 9.472 -1.476 -2.334 1.00 1.13 N ATOM 27 NH2 ARG A 2 10.019 -2.169 -0.216 1.00 22.13 N ATOM 0 H ARG A 2 4.557 0.067 -2.890 1.00 34.40 H new ATOM 0 HA ARG A 2 4.648 2.879 -2.181 1.00 73.22 H new ATOM 0 HB2 ARG A 2 7.000 2.914 -1.630 1.00 14.24 H new ATOM 0 HB3 ARG A 2 6.190 1.815 -0.531 1.00 14.24 H new ATOM 0 HG2 ARG A 2 7.566 0.820 -3.039 1.00 62.35 H new ATOM 0 HG3 ARG A 2 8.446 1.074 -1.545 1.00 62.35 H new ATOM 0 HD2 ARG A 2 6.068 -0.385 -0.890 1.00 52.43 H new ATOM 0 HD3 ARG A 2 6.773 -1.152 -2.299 1.00 52.43 H new ATOM 0 HE ARG A 2 7.787 -1.255 0.392 1.00 50.11 H new ATOM 0 HH11 ARG A 2 8.815 -1.036 -2.979 1.00 1.13 H new ATOM 0 HH12 ARG A 2 10.368 -1.823 -2.676 1.00 1.13 H new ATOM 0 HH21 ARG A 2 9.783 -2.263 0.772 1.00 22.13 H new ATOM 0 HH22 ARG A 2 10.914 -2.514 -0.562 1.00 22.13 H new ATOM 41 N ASP A 3 5.760 3.338 -4.400 1.00 73.30 N ATOM 42 CA ASP A 3 6.136 3.578 -5.788 1.00 74.35 C ATOM 43 C ASP A 3 7.651 3.674 -5.932 1.00 43.22 C ATOM 44 O ASP A 3 8.334 4.218 -5.064 1.00 75.32 O ATOM 45 CB ASP A 3 5.479 4.860 -6.302 1.00 45.15 C ATOM 46 CG ASP A 3 4.251 5.243 -5.501 1.00 1.32 C ATOM 47 OD1 ASP A 3 3.383 4.370 -5.292 1.00 15.43 O ATOM 48 OD2 ASP A 3 4.159 6.416 -5.082 1.00 34.11 O ATOM 0 H ASP A 3 5.607 4.185 -3.852 1.00 73.30 H new ATOM 0 HA ASP A 3 5.786 2.736 -6.385 1.00 74.35 H new ATOM 0 HB2 ASP A 3 6.202 5.675 -6.265 1.00 45.15 H new ATOM 0 HB3 ASP A 3 5.200 4.728 -7.348 1.00 45.15 H new ATOM 53 N ALA A 4 8.171 3.142 -7.033 1.00 42.25 N ATOM 54 CA ALA A 4 9.606 3.169 -7.291 1.00 54.22 C ATOM 55 C ALA A 4 9.945 2.435 -8.584 1.00 50.42 C ATOM 56 O ALA A 4 9.055 1.975 -9.300 1.00 2.00 O ATOM 57 CB ALA A 4 10.364 2.559 -6.121 1.00 54.44 C ATOM 0 H ALA A 4 7.620 2.687 -7.761 1.00 42.25 H new ATOM 0 HA ALA A 4 9.911 4.209 -7.404 1.00 54.22 H new ATOM 0 HB1 ALA A 4 11.434 2.586 -6.327 1.00 54.44 H new ATOM 0 HB2 ALA A 4 10.155 3.128 -5.215 1.00 54.44 H new ATOM 0 HB3 ALA A 4 10.047 1.525 -5.981 1.00 54.44 H new ATOM 63 N TYR A 5 11.236 2.330 -8.878 1.00 2.52 N ATOM 64 CA TYR A 5 11.693 1.655 -10.087 1.00 13.23 C ATOM 65 C TYR A 5 11.682 0.141 -9.902 1.00 31.21 C ATOM 66 O TYR A 5 12.577 -0.425 -9.274 1.00 64.45 O ATOM 67 CB TYR A 5 13.100 2.125 -10.458 1.00 23.21 C ATOM 68 CG TYR A 5 13.117 3.231 -11.489 1.00 24.13 C ATOM 69 CD1 TYR A 5 12.610 3.025 -12.766 1.00 3.43 C ATOM 70 CD2 TYR A 5 13.640 4.482 -11.185 1.00 1.01 C ATOM 71 CE1 TYR A 5 12.625 4.033 -13.711 1.00 32.14 C ATOM 72 CE2 TYR A 5 13.657 5.496 -12.123 1.00 63.11 C ATOM 73 CZ TYR A 5 13.149 5.266 -13.385 1.00 1.34 C ATOM 74 OH TYR A 5 13.164 6.273 -14.323 1.00 0.03 O ATOM 0 H TYR A 5 11.985 2.704 -8.295 1.00 2.52 H new ATOM 0 HA TYR A 5 11.008 1.909 -10.896 1.00 13.23 H new ATOM 0 HB2 TYR A 5 13.607 2.471 -9.558 1.00 23.21 H new ATOM 0 HB3 TYR A 5 13.669 1.277 -10.838 1.00 23.21 H new ATOM 0 HD1 TYR A 5 12.197 2.061 -13.024 1.00 3.43 H new ATOM 0 HD2 TYR A 5 14.040 4.665 -10.199 1.00 1.01 H new ATOM 0 HE1 TYR A 5 12.228 3.856 -14.700 1.00 32.14 H new ATOM 0 HE2 TYR A 5 14.066 6.463 -11.870 1.00 63.11 H new ATOM 0 HH TYR A 5 13.095 7.141 -13.873 1.00 0.03 H new ATOM 84 N ILE A 6 10.662 -0.509 -10.453 1.00 42.44 N ATOM 85 CA ILE A 6 10.535 -1.957 -10.352 1.00 32.05 C ATOM 86 C ILE A 6 11.750 -2.659 -10.948 1.00 22.13 C ATOM 87 O ILE A 6 12.308 -2.213 -11.950 1.00 11.33 O ATOM 88 CB ILE A 6 9.265 -2.462 -11.062 1.00 12.23 C ATOM 89 CG1 ILE A 6 9.258 -3.991 -11.116 1.00 0.12 C ATOM 90 CG2 ILE A 6 9.173 -1.876 -12.463 1.00 24.31 C ATOM 91 CD1 ILE A 6 7.874 -4.584 -11.256 1.00 72.34 C ATOM 0 H ILE A 6 9.912 -0.055 -10.974 1.00 42.44 H new ATOM 0 HA ILE A 6 10.466 -2.194 -9.290 1.00 32.05 H new ATOM 0 HB ILE A 6 8.394 -2.134 -10.494 1.00 12.23 H new ATOM 0 HG12 ILE A 6 9.872 -4.320 -11.955 1.00 0.12 H new ATOM 0 HG13 ILE A 6 9.721 -4.381 -10.210 1.00 0.12 H new ATOM 0 HG21 ILE A 6 8.270 -2.242 -12.952 1.00 24.31 H new ATOM 0 HG22 ILE A 6 9.136 -0.788 -12.401 1.00 24.31 H new ATOM 0 HG23 ILE A 6 10.046 -2.177 -13.041 1.00 24.31 H new ATOM 0 HD11 ILE A 6 7.946 -5.671 -11.288 1.00 72.34 H new ATOM 0 HD12 ILE A 6 7.262 -4.285 -10.405 1.00 72.34 H new ATOM 0 HD13 ILE A 6 7.415 -4.223 -12.177 1.00 72.34 H new ATOM 103 N ALA A 7 12.154 -3.762 -10.325 1.00 42.43 N ATOM 104 CA ALA A 7 13.301 -4.528 -10.796 1.00 70.14 C ATOM 105 C ALA A 7 13.179 -5.996 -10.404 1.00 34.53 C ATOM 106 O ALA A 7 12.277 -6.377 -9.656 1.00 63.23 O ATOM 107 CB ALA A 7 14.592 -3.939 -10.247 1.00 54.40 C ATOM 0 H ALA A 7 11.704 -4.144 -9.493 1.00 42.43 H new ATOM 0 HA ALA A 7 13.322 -4.470 -11.884 1.00 70.14 H new ATOM 0 HB1 ALA A 7 15.440 -4.522 -10.607 1.00 54.40 H new ATOM 0 HB2 ALA A 7 14.692 -2.907 -10.582 1.00 54.40 H new ATOM 0 HB3 ALA A 7 14.570 -3.966 -9.158 1.00 54.40 H new ATOM 113 N LYS A 8 14.090 -6.818 -10.912 1.00 64.15 N ATOM 114 CA LYS A 8 14.086 -8.246 -10.615 1.00 11.50 C ATOM 115 C LYS A 8 15.397 -8.669 -9.960 1.00 14.02 C ATOM 116 O LYS A 8 16.473 -8.169 -10.289 1.00 33.24 O ATOM 117 CB LYS A 8 13.859 -9.053 -11.895 1.00 33.43 C ATOM 118 CG LYS A 8 13.137 -8.278 -12.984 1.00 23.15 C ATOM 119 CD LYS A 8 12.715 -9.185 -14.127 1.00 42.14 C ATOM 120 CE LYS A 8 13.551 -8.937 -15.373 1.00 45.53 C ATOM 121 NZ LYS A 8 13.124 -9.799 -16.510 1.00 14.25 N ATOM 0 H LYS A 8 14.842 -6.520 -11.533 1.00 64.15 H new ATOM 0 HA LYS A 8 13.272 -8.445 -9.918 1.00 11.50 H new ATOM 0 HB2 LYS A 8 14.823 -9.389 -12.278 1.00 33.43 H new ATOM 0 HB3 LYS A 8 13.283 -9.946 -11.654 1.00 33.43 H new ATOM 0 HG2 LYS A 8 12.258 -7.789 -12.563 1.00 23.15 H new ATOM 0 HG3 LYS A 8 13.788 -7.491 -13.364 1.00 23.15 H new ATOM 0 HD2 LYS A 8 12.815 -10.227 -13.822 1.00 42.14 H new ATOM 0 HD3 LYS A 8 11.662 -9.019 -14.355 1.00 42.14 H new ATOM 0 HE2 LYS A 8 13.470 -7.889 -15.662 1.00 45.53 H new ATOM 0 HE3 LYS A 8 14.601 -9.126 -15.149 1.00 45.53 H new ATOM 0 HZ1 LYS A 8 13.938 -9.985 -17.130 1.00 14.25 H new ATOM 0 HZ2 LYS A 8 12.755 -10.700 -16.143 1.00 14.25 H new ATOM 0 HZ3 LYS A 8 12.380 -9.315 -17.052 1.00 14.25 H new ATOM 135 N PRO A 9 15.307 -9.613 -9.011 1.00 62.24 N ATOM 136 CA PRO A 9 16.477 -10.126 -8.292 1.00 40.00 C ATOM 137 C PRO A 9 17.382 -10.969 -9.184 1.00 4.22 C ATOM 138 O PRO A 9 16.944 -11.500 -10.203 1.00 55.33 O ATOM 139 CB PRO A 9 15.863 -10.988 -7.186 1.00 5.02 C ATOM 140 CG PRO A 9 14.534 -11.399 -7.719 1.00 3.41 C ATOM 141 CD PRO A 9 14.057 -10.253 -8.569 1.00 22.44 C ATOM 0 HA PRO A 9 17.113 -9.322 -7.922 1.00 40.00 H new ATOM 0 HB2 PRO A 9 16.487 -11.855 -6.967 1.00 5.02 H new ATOM 0 HB3 PRO A 9 15.761 -10.426 -6.257 1.00 5.02 H new ATOM 0 HG2 PRO A 9 14.615 -12.314 -8.306 1.00 3.41 H new ATOM 0 HG3 PRO A 9 13.834 -11.602 -6.908 1.00 3.41 H new ATOM 0 HD2 PRO A 9 13.462 -10.600 -9.414 1.00 22.44 H new ATOM 0 HD3 PRO A 9 13.432 -9.564 -8.001 1.00 22.44 H new ATOM 149 N GLU A 10 18.647 -11.087 -8.792 1.00 62.11 N ATOM 150 CA GLU A 10 19.133 -10.444 -7.577 1.00 22.32 C ATOM 151 C GLU A 10 19.548 -9.002 -7.853 1.00 14.23 C ATOM 152 O GLU A 10 20.521 -8.749 -8.562 1.00 32.44 O ATOM 153 CB GLU A 10 20.316 -11.224 -6.998 1.00 75.44 C ATOM 154 CG GLU A 10 20.192 -11.502 -5.510 1.00 33.23 C ATOM 155 CD GLU A 10 19.300 -12.691 -5.210 1.00 73.44 C ATOM 156 OE1 GLU A 10 18.734 -13.265 -6.165 1.00 5.14 O ATOM 157 OE2 GLU A 10 19.167 -13.048 -4.021 1.00 25.42 O ATOM 0 H GLU A 10 19.353 -11.622 -9.298 1.00 62.11 H new ATOM 0 HA GLU A 10 18.320 -10.438 -6.851 1.00 22.32 H new ATOM 0 HB2 GLU A 10 20.411 -12.171 -7.529 1.00 75.44 H new ATOM 0 HB3 GLU A 10 21.233 -10.664 -7.179 1.00 75.44 H new ATOM 0 HG2 GLU A 10 21.183 -11.682 -5.094 1.00 33.23 H new ATOM 0 HG3 GLU A 10 19.793 -10.619 -5.011 1.00 33.23 H new ATOM 164 N ASN A 11 18.801 -8.059 -7.287 1.00 75.21 N ATOM 165 CA ASN A 11 19.089 -6.642 -7.473 1.00 11.44 C ATOM 166 C ASN A 11 19.487 -6.352 -8.917 1.00 0.14 C ATOM 167 O ASN A 11 20.649 -6.066 -9.206 1.00 41.33 O ATOM 168 CB ASN A 11 20.206 -6.199 -6.525 1.00 53.22 C ATOM 169 CG ASN A 11 20.083 -4.740 -6.129 1.00 65.12 C ATOM 170 OD1 ASN A 11 18.995 -4.166 -6.160 1.00 72.11 O ATOM 171 ND2 ASN A 11 21.204 -4.133 -5.755 1.00 34.05 N ATOM 0 H ASN A 11 17.992 -8.251 -6.696 1.00 75.21 H new ATOM 0 HA ASN A 11 18.183 -6.080 -7.245 1.00 11.44 H new ATOM 0 HB2 ASN A 11 20.185 -6.819 -5.629 1.00 53.22 H new ATOM 0 HB3 ASN A 11 21.171 -6.363 -7.004 1.00 53.22 H new ATOM 0 HD21 ASN A 11 21.185 -3.151 -5.478 1.00 34.05 H new ATOM 0 HD22 ASN A 11 22.084 -4.649 -5.745 1.00 34.05 H new ATOM 178 N CYS A 12 18.515 -6.428 -9.819 1.00 53.42 N ATOM 179 CA CYS A 12 18.762 -6.174 -11.233 1.00 51.33 C ATOM 180 C CYS A 12 17.679 -5.274 -11.822 1.00 3.53 C ATOM 181 O CYS A 12 16.488 -5.496 -11.608 1.00 35.13 O ATOM 182 CB CYS A 12 18.820 -7.492 -12.007 1.00 64.31 C ATOM 183 SG CYS A 12 20.503 -7.996 -12.492 1.00 54.21 S ATOM 0 H CYS A 12 17.548 -6.664 -9.596 1.00 53.42 H new ATOM 0 HA CYS A 12 19.722 -5.665 -11.322 1.00 51.33 H new ATOM 0 HB2 CYS A 12 18.378 -8.279 -11.396 1.00 64.31 H new ATOM 0 HB3 CYS A 12 18.207 -7.402 -12.904 1.00 64.31 H new ATOM 188 N VAL A 13 18.103 -4.256 -12.565 1.00 12.24 N ATOM 189 CA VAL A 13 17.171 -3.322 -13.185 1.00 74.44 C ATOM 190 C VAL A 13 16.383 -3.995 -14.304 1.00 50.22 C ATOM 191 O VAL A 13 16.668 -5.131 -14.682 1.00 65.33 O ATOM 192 CB VAL A 13 17.903 -2.093 -13.755 1.00 60.11 C ATOM 193 CG1 VAL A 13 18.506 -1.263 -12.632 1.00 42.14 C ATOM 194 CG2 VAL A 13 18.974 -2.523 -14.746 1.00 22.52 C ATOM 0 H VAL A 13 19.086 -4.058 -12.752 1.00 12.24 H new ATOM 0 HA VAL A 13 16.483 -2.996 -12.405 1.00 74.44 H new ATOM 0 HB VAL A 13 17.179 -1.473 -14.284 1.00 60.11 H new ATOM 0 HG11 VAL A 13 19.019 -0.399 -13.054 1.00 42.14 H new ATOM 0 HG12 VAL A 13 17.714 -0.924 -11.964 1.00 42.14 H new ATOM 0 HG13 VAL A 13 19.218 -1.870 -12.072 1.00 42.14 H new ATOM 0 HG21 VAL A 13 19.481 -1.642 -15.139 1.00 22.52 H new ATOM 0 HG22 VAL A 13 19.698 -3.165 -14.244 1.00 22.52 H new ATOM 0 HG23 VAL A 13 18.511 -3.071 -15.567 1.00 22.52 H new ATOM 204 N TYR A 14 15.391 -3.285 -14.831 1.00 30.44 N ATOM 205 CA TYR A 14 14.560 -3.814 -15.906 1.00 30.23 C ATOM 206 C TYR A 14 14.517 -2.849 -17.086 1.00 50.42 C ATOM 207 O TYR A 14 13.780 -1.863 -17.069 1.00 24.13 O ATOM 208 CB TYR A 14 13.142 -4.081 -15.399 1.00 13.45 C ATOM 209 CG TYR A 14 12.459 -5.239 -16.090 1.00 51.22 C ATOM 210 CD1 TYR A 14 12.665 -5.486 -17.442 1.00 13.31 C ATOM 211 CD2 TYR A 14 11.608 -6.087 -15.392 1.00 3.25 C ATOM 212 CE1 TYR A 14 12.042 -6.542 -18.078 1.00 22.21 C ATOM 213 CE2 TYR A 14 10.983 -7.147 -16.019 1.00 53.30 C ATOM 214 CZ TYR A 14 11.202 -7.370 -17.362 1.00 44.13 C ATOM 215 OH TYR A 14 10.582 -8.424 -17.992 1.00 35.31 O ATOM 0 H TYR A 14 15.143 -2.342 -14.531 1.00 30.44 H new ATOM 0 HA TYR A 14 15.000 -4.752 -16.243 1.00 30.23 H new ATOM 0 HB2 TYR A 14 13.180 -4.279 -14.328 1.00 13.45 H new ATOM 0 HB3 TYR A 14 12.541 -3.182 -15.536 1.00 13.45 H new ATOM 0 HD1 TYR A 14 13.324 -4.841 -18.005 1.00 13.31 H new ATOM 0 HD2 TYR A 14 11.432 -5.914 -14.341 1.00 3.25 H new ATOM 0 HE1 TYR A 14 12.211 -6.719 -19.130 1.00 22.21 H new ATOM 0 HE2 TYR A 14 10.326 -7.798 -15.461 1.00 53.30 H new ATOM 0 HH TYR A 14 10.026 -8.909 -17.347 1.00 35.31 H new ATOM 225 N GLU A 15 15.312 -3.141 -18.111 1.00 2.24 N ATOM 226 CA GLU A 15 15.365 -2.299 -19.300 1.00 4.21 C ATOM 227 C GLU A 15 14.011 -2.264 -20.003 1.00 4.33 C ATOM 228 O GLU A 15 13.329 -3.283 -20.112 1.00 11.14 O ATOM 229 CB GLU A 15 16.440 -2.807 -20.264 1.00 13.41 C ATOM 230 CG GLU A 15 16.203 -4.228 -20.745 1.00 73.21 C ATOM 231 CD GLU A 15 17.367 -4.773 -21.549 1.00 71.54 C ATOM 232 OE1 GLU A 15 18.121 -3.963 -22.127 1.00 21.11 O ATOM 233 OE2 GLU A 15 17.523 -6.012 -21.601 1.00 4.53 O ATOM 0 H GLU A 15 15.928 -3.954 -18.142 1.00 2.24 H new ATOM 0 HA GLU A 15 15.618 -1.286 -18.986 1.00 4.21 H new ATOM 0 HB2 GLU A 15 16.485 -2.143 -21.127 1.00 13.41 H new ATOM 0 HB3 GLU A 15 17.411 -2.756 -19.772 1.00 13.41 H new ATOM 0 HG2 GLU A 15 16.026 -4.874 -19.885 1.00 73.21 H new ATOM 0 HG3 GLU A 15 15.300 -4.255 -21.355 1.00 73.21 H new ATOM 240 N CYS A 16 13.628 -1.083 -20.478 1.00 24.32 N ATOM 241 CA CYS A 16 12.356 -0.913 -21.169 1.00 43.13 C ATOM 242 C CYS A 16 12.555 -0.210 -22.509 1.00 65.33 C ATOM 243 O CYS A 16 13.587 0.416 -22.746 1.00 44.15 O ATOM 244 CB CYS A 16 11.383 -0.113 -20.301 1.00 42.22 C ATOM 245 SG CYS A 16 9.839 -0.996 -19.908 1.00 2.03 S ATOM 0 H CYS A 16 14.181 -0.230 -20.397 1.00 24.32 H new ATOM 0 HA CYS A 16 11.937 -1.902 -21.356 1.00 43.13 H new ATOM 0 HB2 CYS A 16 11.881 0.158 -19.370 1.00 42.22 H new ATOM 0 HB3 CYS A 16 11.137 0.817 -20.813 1.00 42.22 H new ATOM 250 N GLY A 17 11.559 -0.320 -23.383 1.00 13.55 N ATOM 251 CA GLY A 17 11.643 0.310 -24.687 1.00 63.24 C ATOM 252 C GLY A 17 11.359 -0.659 -25.818 1.00 12.00 C ATOM 253 O GLY A 17 10.707 -0.303 -26.800 1.00 41.41 O ATOM 0 H GLY A 17 10.695 -0.834 -23.211 1.00 13.55 H new ATOM 0 HA2 GLY A 17 10.934 1.137 -24.734 1.00 63.24 H new ATOM 0 HA3 GLY A 17 12.638 0.735 -24.818 1.00 63.24 H new ATOM 257 N ILE A 18 11.849 -1.886 -25.681 1.00 22.21 N ATOM 258 CA ILE A 18 11.644 -2.908 -26.699 1.00 62.45 C ATOM 259 C ILE A 18 10.487 -3.830 -26.329 1.00 10.33 C ATOM 260 O ILE A 18 9.582 -4.062 -27.131 1.00 32.44 O ATOM 261 CB ILE A 18 12.913 -3.756 -26.910 1.00 51.31 C ATOM 262 CG1 ILE A 18 14.105 -2.855 -27.240 1.00 21.14 C ATOM 263 CG2 ILE A 18 12.691 -4.776 -28.017 1.00 11.21 C ATOM 264 CD1 ILE A 18 15.219 -2.929 -26.218 1.00 55.23 C ATOM 0 H ILE A 18 12.391 -2.197 -24.875 1.00 22.21 H new ATOM 0 HA ILE A 18 11.407 -2.385 -27.626 1.00 62.45 H new ATOM 0 HB ILE A 18 13.131 -4.293 -25.987 1.00 51.31 H new ATOM 0 HG12 ILE A 18 14.500 -3.132 -28.217 1.00 21.14 H new ATOM 0 HG13 ILE A 18 13.761 -1.824 -27.316 1.00 21.14 H new ATOM 0 HG21 ILE A 18 13.596 -5.367 -28.154 1.00 11.21 H new ATOM 0 HG22 ILE A 18 11.866 -5.434 -27.745 1.00 11.21 H new ATOM 0 HG23 ILE A 18 12.452 -4.258 -28.946 1.00 11.21 H new ATOM 0 HD11 ILE A 18 16.031 -2.265 -26.516 1.00 55.23 H new ATOM 0 HD12 ILE A 18 14.839 -2.623 -25.243 1.00 55.23 H new ATOM 0 HD13 ILE A 18 15.590 -3.952 -26.158 1.00 55.23 H new ATOM 276 N THR A 19 10.521 -4.351 -25.106 1.00 62.32 N ATOM 277 CA THR A 19 9.476 -5.247 -24.628 1.00 15.32 C ATOM 278 C THR A 19 8.635 -4.581 -23.545 1.00 13.24 C ATOM 279 O THR A 19 8.507 -5.103 -22.438 1.00 33.04 O ATOM 280 CB THR A 19 10.068 -6.555 -24.070 1.00 53.15 C ATOM 281 OG1 THR A 19 9.023 -7.379 -23.542 1.00 21.24 O ATOM 282 CG2 THR A 19 11.092 -6.265 -22.983 1.00 73.44 C ATOM 0 H THR A 19 11.261 -4.167 -24.429 1.00 62.32 H new ATOM 0 HA THR A 19 8.844 -5.480 -25.485 1.00 15.32 H new ATOM 0 HB THR A 19 10.567 -7.080 -24.885 1.00 53.15 H new ATOM 0 HG1 THR A 19 8.639 -6.951 -22.748 1.00 21.24 H new ATOM 0 HG21 THR A 19 11.496 -7.204 -22.604 1.00 73.44 H new ATOM 0 HG22 THR A 19 11.901 -5.662 -23.396 1.00 73.44 H new ATOM 0 HG23 THR A 19 10.614 -5.721 -22.168 1.00 73.44 H new ATOM 290 N GLN A 20 8.063 -3.426 -23.872 1.00 23.24 N ATOM 291 CA GLN A 20 7.234 -2.690 -22.925 1.00 3.41 C ATOM 292 C GLN A 20 6.160 -3.591 -22.325 1.00 64.32 C ATOM 293 O GLN A 20 5.255 -4.045 -23.025 1.00 51.23 O ATOM 294 CB GLN A 20 6.583 -1.488 -23.612 1.00 72.33 C ATOM 295 CG GLN A 20 5.800 -1.854 -24.863 1.00 42.22 C ATOM 296 CD GLN A 20 5.424 -0.641 -25.691 1.00 55.01 C ATOM 297 OE1 GLN A 20 4.243 -0.368 -25.911 1.00 43.44 O ATOM 298 NE2 GLN A 20 6.427 0.094 -26.155 1.00 2.51 N ATOM 0 H GLN A 20 8.159 -2.981 -24.785 1.00 23.24 H new ATOM 0 HA GLN A 20 7.876 -2.335 -22.119 1.00 3.41 H new ATOM 0 HB2 GLN A 20 5.915 -0.994 -22.906 1.00 72.33 H new ATOM 0 HB3 GLN A 20 7.357 -0.767 -23.876 1.00 72.33 H new ATOM 0 HG2 GLN A 20 6.394 -2.535 -25.472 1.00 42.22 H new ATOM 0 HG3 GLN A 20 4.894 -2.389 -24.577 1.00 42.22 H new ATOM 0 HE21 GLN A 20 7.390 -0.169 -25.948 1.00 2.51 H new ATOM 0 HE22 GLN A 20 6.234 0.922 -26.718 1.00 2.51 H new ATOM 307 N ASP A 21 6.268 -3.847 -21.026 1.00 71.42 N ATOM 308 CA ASP A 21 5.305 -4.695 -20.332 1.00 4.23 C ATOM 309 C ASP A 21 5.255 -4.355 -18.845 1.00 43.14 C ATOM 310 O ASP A 21 4.861 -5.181 -18.022 1.00 13.23 O ATOM 311 CB ASP A 21 5.664 -6.170 -20.518 1.00 43.25 C ATOM 312 CG ASP A 21 6.786 -6.613 -19.600 1.00 61.52 C ATOM 313 OD1 ASP A 21 7.845 -5.952 -19.596 1.00 63.40 O ATOM 314 OD2 ASP A 21 6.605 -7.622 -18.886 1.00 61.34 O ATOM 0 H ASP A 21 7.012 -3.480 -20.432 1.00 71.42 H new ATOM 0 HA ASP A 21 4.320 -4.512 -20.762 1.00 4.23 H new ATOM 0 HB2 ASP A 21 4.782 -6.782 -20.330 1.00 43.25 H new ATOM 0 HB3 ASP A 21 5.957 -6.342 -21.554 1.00 43.25 H new ATOM 319 N CYS A 22 5.659 -3.134 -18.509 1.00 32.41 N ATOM 320 CA CYS A 22 5.662 -2.685 -17.122 1.00 52.31 C ATOM 321 C CYS A 22 4.298 -2.909 -16.475 1.00 3.14 C ATOM 322 O CYS A 22 4.202 -3.479 -15.389 1.00 12.45 O ATOM 323 CB CYS A 22 6.038 -1.204 -17.045 1.00 52.42 C ATOM 324 SG CYS A 22 7.452 -0.851 -15.952 1.00 33.31 S ATOM 0 H CYS A 22 5.988 -2.438 -19.178 1.00 32.41 H new ATOM 0 HA CYS A 22 6.403 -3.270 -16.578 1.00 52.31 H new ATOM 0 HB2 CYS A 22 6.270 -0.847 -18.048 1.00 52.42 H new ATOM 0 HB3 CYS A 22 5.174 -0.638 -16.697 1.00 52.42 H new ATOM 329 N ASN A 23 3.247 -2.457 -17.150 1.00 50.53 N ATOM 330 CA ASN A 23 1.889 -2.607 -16.641 1.00 73.31 C ATOM 331 C ASN A 23 1.610 -4.057 -16.255 1.00 3.32 C ATOM 332 O ASN A 23 1.024 -4.330 -15.207 1.00 71.33 O ATOM 333 CB ASN A 23 0.875 -2.143 -17.689 1.00 34.23 C ATOM 334 CG ASN A 23 -0.348 -1.500 -17.064 1.00 53.52 C ATOM 335 OD1 ASN A 23 -0.814 -0.455 -17.519 1.00 51.31 O ATOM 336 ND2 ASN A 23 -0.874 -2.122 -16.016 1.00 31.22 N ATOM 0 H ASN A 23 3.309 -1.984 -18.051 1.00 50.53 H new ATOM 0 HA ASN A 23 1.791 -1.987 -15.750 1.00 73.31 H new ATOM 0 HB2 ASN A 23 1.352 -1.431 -18.363 1.00 34.23 H new ATOM 0 HB3 ASN A 23 0.565 -2.995 -18.294 1.00 34.23 H new ATOM 0 HD21 ASN A 23 -1.697 -1.736 -15.554 1.00 31.22 H new ATOM 0 HD22 ASN A 23 -0.455 -2.986 -15.673 1.00 31.22 H new ATOM 343 N LYS A 24 2.035 -4.983 -17.108 1.00 5.34 N ATOM 344 CA LYS A 24 1.835 -6.405 -16.856 1.00 53.24 C ATOM 345 C LYS A 24 2.580 -6.846 -15.601 1.00 14.05 C ATOM 346 O LYS A 24 1.988 -7.419 -14.685 1.00 22.43 O ATOM 347 CB LYS A 24 2.307 -7.227 -18.057 1.00 74.55 C ATOM 348 CG LYS A 24 1.528 -8.517 -18.255 1.00 43.32 C ATOM 349 CD LYS A 24 1.608 -9.001 -19.693 1.00 55.03 C ATOM 350 CE LYS A 24 0.237 -9.014 -20.353 1.00 43.45 C ATOM 351 NZ LYS A 24 -0.627 -10.102 -19.817 1.00 43.44 N ATOM 0 H LYS A 24 2.520 -4.774 -17.980 1.00 5.34 H new ATOM 0 HA LYS A 24 0.769 -6.575 -16.702 1.00 53.24 H new ATOM 0 HB2 LYS A 24 2.223 -6.620 -18.958 1.00 74.55 H new ATOM 0 HB3 LYS A 24 3.363 -7.466 -17.931 1.00 74.55 H new ATOM 0 HG2 LYS A 24 1.920 -9.286 -17.589 1.00 43.32 H new ATOM 0 HG3 LYS A 24 0.485 -8.359 -17.981 1.00 43.32 H new ATOM 0 HD2 LYS A 24 2.279 -8.355 -20.259 1.00 55.03 H new ATOM 0 HD3 LYS A 24 2.035 -10.004 -19.718 1.00 55.03 H new ATOM 0 HE2 LYS A 24 -0.251 -8.052 -20.195 1.00 43.45 H new ATOM 0 HE3 LYS A 24 0.353 -9.140 -21.429 1.00 43.45 H new ATOM 0 HZ1 LYS A 24 -1.552 -10.077 -20.292 1.00 43.44 H new ATOM 0 HZ2 LYS A 24 -0.174 -11.022 -19.990 1.00 43.44 H new ATOM 0 HZ3 LYS A 24 -0.760 -9.968 -18.794 1.00 43.44 H new ATOM 365 N LEU A 25 3.879 -6.574 -15.563 1.00 63.10 N ATOM 366 CA LEU A 25 4.705 -6.942 -14.418 1.00 42.30 C ATOM 367 C LEU A 25 4.160 -6.326 -13.133 1.00 43.44 C ATOM 368 O LEU A 25 4.168 -6.958 -12.077 1.00 5.22 O ATOM 369 CB LEU A 25 6.150 -6.491 -14.640 1.00 51.25 C ATOM 370 CG LEU A 25 7.199 -7.123 -13.725 1.00 32.10 C ATOM 371 CD1 LEU A 25 7.210 -8.635 -13.891 1.00 3.25 C ATOM 372 CD2 LEU A 25 8.576 -6.543 -14.012 1.00 1.24 C ATOM 0 H LEU A 25 4.384 -6.100 -16.312 1.00 63.10 H new ATOM 0 HA LEU A 25 4.681 -8.027 -14.318 1.00 42.30 H new ATOM 0 HB2 LEU A 25 6.422 -6.706 -15.673 1.00 51.25 H new ATOM 0 HB3 LEU A 25 6.195 -5.409 -14.517 1.00 51.25 H new ATOM 0 HG LEU A 25 6.938 -6.893 -12.692 1.00 32.10 H new ATOM 0 HD11 LEU A 25 7.963 -9.068 -13.232 1.00 3.25 H new ATOM 0 HD12 LEU A 25 6.229 -9.036 -13.635 1.00 3.25 H new ATOM 0 HD13 LEU A 25 7.446 -8.886 -14.925 1.00 3.25 H new ATOM 0 HD21 LEU A 25 9.310 -7.004 -13.351 1.00 1.24 H new ATOM 0 HD22 LEU A 25 8.846 -6.742 -15.049 1.00 1.24 H new ATOM 0 HD23 LEU A 25 8.560 -5.467 -13.841 1.00 1.24 H new ATOM 384 N CYS A 26 3.685 -5.089 -13.232 1.00 2.51 N ATOM 385 CA CYS A 26 3.134 -4.386 -12.079 1.00 61.51 C ATOM 386 C CYS A 26 1.930 -5.133 -11.512 1.00 25.43 C ATOM 387 O CYS A 26 1.909 -5.497 -10.335 1.00 73.02 O ATOM 388 CB CYS A 26 2.728 -2.964 -12.468 1.00 42.34 C ATOM 389 SG CYS A 26 3.461 -1.668 -11.419 1.00 2.24 S ATOM 0 H CYS A 26 3.670 -4.552 -14.099 1.00 2.51 H new ATOM 0 HA CYS A 26 3.906 -4.339 -11.311 1.00 61.51 H new ATOM 0 HB2 CYS A 26 3.018 -2.785 -13.503 1.00 42.34 H new ATOM 0 HB3 CYS A 26 1.642 -2.882 -12.422 1.00 42.34 H new ATOM 394 N THR A 27 0.929 -5.360 -12.357 1.00 2.45 N ATOM 395 CA THR A 27 -0.278 -6.062 -11.940 1.00 52.13 C ATOM 396 C THR A 27 0.038 -7.488 -11.504 1.00 50.12 C ATOM 397 O THR A 27 -0.462 -7.959 -10.483 1.00 43.02 O ATOM 398 CB THR A 27 -1.323 -6.103 -13.072 1.00 4.32 C ATOM 399 OG1 THR A 27 -0.705 -6.522 -14.294 1.00 21.13 O ATOM 400 CG2 THR A 27 -1.965 -4.737 -13.265 1.00 21.31 C ATOM 0 H THR A 27 0.931 -5.068 -13.334 1.00 2.45 H new ATOM 0 HA THR A 27 -0.689 -5.510 -11.095 1.00 52.13 H new ATOM 0 HB THR A 27 -2.099 -6.816 -12.795 1.00 4.32 H new ATOM 0 HG1 THR A 27 -0.236 -5.763 -14.700 1.00 21.13 H new ATOM 0 HG21 THR A 27 -2.699 -4.790 -14.069 1.00 21.31 H new ATOM 0 HG22 THR A 27 -2.459 -4.434 -12.342 1.00 21.31 H new ATOM 0 HG23 THR A 27 -1.197 -4.007 -13.522 1.00 21.31 H new ATOM 408 N GLU A 28 0.871 -8.170 -12.284 1.00 51.44 N ATOM 409 CA GLU A 28 1.253 -9.543 -11.977 1.00 51.11 C ATOM 410 C GLU A 28 1.750 -9.661 -10.539 1.00 52.41 C ATOM 411 O GLU A 28 1.206 -10.426 -9.744 1.00 62.12 O ATOM 412 CB GLU A 28 2.337 -10.023 -12.944 1.00 5.30 C ATOM 413 CG GLU A 28 1.828 -10.993 -13.997 1.00 4.31 C ATOM 414 CD GLU A 28 1.898 -12.437 -13.542 1.00 21.44 C ATOM 415 OE1 GLU A 28 2.192 -12.670 -12.350 1.00 52.41 O ATOM 416 OE2 GLU A 28 1.659 -13.335 -14.376 1.00 24.22 O ATOM 0 H GLU A 28 1.294 -7.794 -13.133 1.00 51.44 H new ATOM 0 HA GLU A 28 0.370 -10.172 -12.091 1.00 51.11 H new ATOM 0 HB2 GLU A 28 2.777 -9.159 -13.441 1.00 5.30 H new ATOM 0 HB3 GLU A 28 3.133 -10.503 -12.375 1.00 5.30 H new ATOM 0 HG2 GLU A 28 0.797 -10.744 -14.246 1.00 4.31 H new ATOM 0 HG3 GLU A 28 2.414 -10.874 -14.908 1.00 4.31 H new ATOM 423 N ASN A 29 2.787 -8.896 -10.213 1.00 63.44 N ATOM 424 CA ASN A 29 3.359 -8.915 -8.872 1.00 22.21 C ATOM 425 C ASN A 29 2.346 -8.425 -7.842 1.00 3.42 C ATOM 426 O ASN A 29 2.519 -8.626 -6.641 1.00 23.43 O ATOM 427 CB ASN A 29 4.618 -8.047 -8.819 1.00 60.14 C ATOM 428 CG ASN A 29 4.315 -6.611 -8.438 1.00 74.02 C ATOM 429 OD1 ASN A 29 3.988 -6.318 -7.288 1.00 34.31 O ATOM 430 ND2 ASN A 29 4.422 -5.707 -9.405 1.00 75.21 N ATOM 0 H ASN A 29 3.248 -8.255 -10.859 1.00 63.44 H new ATOM 0 HA ASN A 29 3.626 -9.944 -8.632 1.00 22.21 H new ATOM 0 HB2 ASN A 29 5.318 -8.471 -8.099 1.00 60.14 H new ATOM 0 HB3 ASN A 29 5.110 -8.066 -9.791 1.00 60.14 H new ATOM 0 HD21 ASN A 29 4.230 -4.725 -9.208 1.00 75.21 H new ATOM 0 HD22 ASN A 29 4.696 -5.995 -10.344 1.00 75.21 H new ATOM 437 N GLY A 30 1.287 -7.779 -8.322 1.00 25.13 N ATOM 438 CA GLY A 30 0.262 -7.270 -7.430 1.00 30.22 C ATOM 439 C GLY A 30 0.482 -5.816 -7.064 1.00 13.33 C ATOM 440 O GLY A 30 0.596 -5.476 -5.887 1.00 2.53 O ATOM 0 H GLY A 30 1.121 -7.599 -9.312 1.00 25.13 H new ATOM 0 HA2 GLY A 30 -0.714 -7.379 -7.903 1.00 30.22 H new ATOM 0 HA3 GLY A 30 0.244 -7.872 -6.521 1.00 30.22 H new ATOM 444 N ALA A 31 0.543 -4.955 -8.075 1.00 35.42 N ATOM 445 CA ALA A 31 0.750 -3.530 -7.853 1.00 52.33 C ATOM 446 C ALA A 31 -0.395 -2.711 -8.440 1.00 0.20 C ATOM 447 O ALA A 31 -1.274 -3.249 -9.112 1.00 21.21 O ATOM 448 CB ALA A 31 2.077 -3.090 -8.453 1.00 3.01 C ATOM 0 H ALA A 31 0.452 -5.220 -9.056 1.00 35.42 H new ATOM 0 HA ALA A 31 0.774 -3.355 -6.777 1.00 52.33 H new ATOM 0 HB1 ALA A 31 2.219 -2.023 -8.280 1.00 3.01 H new ATOM 0 HB2 ALA A 31 2.890 -3.645 -7.985 1.00 3.01 H new ATOM 0 HB3 ALA A 31 2.074 -3.286 -9.525 1.00 3.01 H new ATOM 454 N GLU A 32 -0.378 -1.407 -8.180 1.00 64.05 N ATOM 455 CA GLU A 32 -1.416 -0.515 -8.682 1.00 73.14 C ATOM 456 C GLU A 32 -1.301 -0.342 -10.194 1.00 70.22 C ATOM 457 O GLU A 32 -2.204 -0.715 -10.943 1.00 12.20 O ATOM 458 CB GLU A 32 -1.325 0.848 -7.994 1.00 13.33 C ATOM 459 CG GLU A 32 -2.450 1.797 -8.371 1.00 54.14 C ATOM 460 CD GLU A 32 -2.754 2.806 -7.281 1.00 23.25 C ATOM 461 OE1 GLU A 32 -3.428 2.432 -6.298 1.00 71.52 O ATOM 462 OE2 GLU A 32 -2.317 3.969 -7.409 1.00 34.31 O ATOM 0 H GLU A 32 0.343 -0.946 -7.625 1.00 64.05 H new ATOM 0 HA GLU A 32 -2.384 -0.964 -8.457 1.00 73.14 H new ATOM 0 HB2 GLU A 32 -1.331 0.701 -6.914 1.00 13.33 H new ATOM 0 HB3 GLU A 32 -0.371 1.310 -8.247 1.00 13.33 H new ATOM 0 HG2 GLU A 32 -2.182 2.326 -9.286 1.00 54.14 H new ATOM 0 HG3 GLU A 32 -3.349 1.220 -8.588 1.00 54.14 H new ATOM 469 N SER A 33 -0.183 0.226 -10.635 1.00 54.24 N ATOM 470 CA SER A 33 0.049 0.453 -12.057 1.00 1.10 C ATOM 471 C SER A 33 1.449 1.010 -12.296 1.00 42.13 C ATOM 472 O SER A 33 1.978 1.762 -11.479 1.00 43.31 O ATOM 473 CB SER A 33 -0.998 1.416 -12.619 1.00 52.13 C ATOM 474 OG SER A 33 -1.962 0.725 -13.396 1.00 4.23 O ATOM 0 H SER A 33 0.576 0.537 -10.029 1.00 54.24 H new ATOM 0 HA SER A 33 -0.036 -0.504 -12.571 1.00 1.10 H new ATOM 0 HB2 SER A 33 -1.493 1.938 -11.800 1.00 52.13 H new ATOM 0 HB3 SER A 33 -0.508 2.174 -13.231 1.00 52.13 H new ATOM 0 HG SER A 33 -2.369 0.015 -12.857 1.00 4.23 H new ATOM 480 N GLY A 34 2.044 0.634 -13.424 1.00 42.14 N ATOM 481 CA GLY A 34 3.377 1.104 -13.752 1.00 43.44 C ATOM 482 C GLY A 34 3.561 1.335 -15.239 1.00 42.42 C ATOM 483 O GLY A 34 2.660 1.063 -16.033 1.00 23.31 O ATOM 0 H GLY A 34 1.626 0.012 -14.116 1.00 42.14 H new ATOM 0 HA2 GLY A 34 3.574 2.033 -13.216 1.00 43.44 H new ATOM 0 HA3 GLY A 34 4.111 0.376 -13.407 1.00 43.44 H new ATOM 487 N TYR A 35 4.730 1.841 -15.618 1.00 31.54 N ATOM 488 CA TYR A 35 5.028 2.112 -17.019 1.00 15.21 C ATOM 489 C TYR A 35 6.533 2.197 -17.249 1.00 42.55 C ATOM 490 O TYR A 35 7.318 2.221 -16.301 1.00 64.01 O ATOM 491 CB TYR A 35 4.358 3.415 -17.461 1.00 20.50 C ATOM 492 CG TYR A 35 4.436 4.516 -16.429 1.00 2.44 C ATOM 493 CD1 TYR A 35 5.663 4.971 -15.961 1.00 22.34 C ATOM 494 CD2 TYR A 35 3.284 5.102 -15.920 1.00 53.53 C ATOM 495 CE1 TYR A 35 5.740 5.977 -15.017 1.00 32.31 C ATOM 496 CE2 TYR A 35 3.351 6.110 -14.978 1.00 33.14 C ATOM 497 CZ TYR A 35 4.581 6.543 -14.529 1.00 12.41 C ATOM 498 OH TYR A 35 4.652 7.546 -13.589 1.00 32.22 O ATOM 0 H TYR A 35 5.487 2.072 -14.974 1.00 31.54 H new ATOM 0 HA TYR A 35 4.634 1.288 -17.614 1.00 15.21 H new ATOM 0 HB2 TYR A 35 4.826 3.759 -18.383 1.00 20.50 H new ATOM 0 HB3 TYR A 35 3.311 3.216 -17.689 1.00 20.50 H new ATOM 0 HD1 TYR A 35 6.572 4.530 -16.342 1.00 22.34 H new ATOM 0 HD2 TYR A 35 2.319 4.763 -16.267 1.00 53.53 H new ATOM 0 HE1 TYR A 35 6.702 6.318 -14.664 1.00 32.31 H new ATOM 0 HE2 TYR A 35 2.445 6.557 -14.595 1.00 33.14 H new ATOM 0 HH TYR A 35 3.747 7.836 -13.351 1.00 32.22 H new ATOM 508 N CYS A 36 6.929 2.244 -18.517 1.00 42.20 N ATOM 509 CA CYS A 36 8.340 2.327 -18.875 1.00 51.24 C ATOM 510 C CYS A 36 8.851 3.759 -18.745 1.00 0.14 C ATOM 511 O CYS A 36 8.397 4.657 -19.453 1.00 11.21 O ATOM 512 CB CYS A 36 8.555 1.826 -20.305 1.00 32.11 C ATOM 513 SG CYS A 36 8.273 0.039 -20.516 1.00 74.33 S ATOM 0 H CYS A 36 6.292 2.226 -19.314 1.00 42.20 H new ATOM 0 HA CYS A 36 8.901 1.695 -18.187 1.00 51.24 H new ATOM 0 HB2 CYS A 36 7.888 2.370 -20.973 1.00 32.11 H new ATOM 0 HB3 CYS A 36 9.574 2.061 -20.612 1.00 32.11 H new ATOM 518 N GLN A 37 9.798 3.963 -17.834 1.00 71.44 N ATOM 519 CA GLN A 37 10.370 5.285 -17.611 1.00 22.03 C ATOM 520 C GLN A 37 11.579 5.514 -18.511 1.00 44.34 C ATOM 521 O GLN A 37 12.705 5.165 -18.156 1.00 60.42 O ATOM 522 CB GLN A 37 10.773 5.448 -16.144 1.00 65.12 C ATOM 523 CG GLN A 37 10.021 6.556 -15.426 1.00 13.12 C ATOM 524 CD GLN A 37 10.157 7.898 -16.118 1.00 74.11 C ATOM 525 OE1 GLN A 37 11.233 8.255 -16.599 1.00 15.33 O ATOM 526 NE2 GLN A 37 9.063 8.649 -16.173 1.00 43.41 N ATOM 0 H GLN A 37 10.185 3.230 -17.239 1.00 71.44 H new ATOM 0 HA GLN A 37 9.611 6.028 -17.857 1.00 22.03 H new ATOM 0 HB2 GLN A 37 10.601 4.507 -15.622 1.00 65.12 H new ATOM 0 HB3 GLN A 37 11.842 5.652 -16.090 1.00 65.12 H new ATOM 0 HG2 GLN A 37 8.966 6.291 -15.361 1.00 13.12 H new ATOM 0 HG3 GLN A 37 10.392 6.639 -14.405 1.00 13.12 H new ATOM 0 HE21 GLN A 37 8.193 8.313 -15.761 1.00 43.41 H new ATOM 0 HE22 GLN A 37 9.093 9.562 -16.627 1.00 43.41 H new ATOM 535 N TRP A 38 11.339 6.103 -19.677 1.00 70.23 N ATOM 536 CA TRP A 38 12.409 6.378 -20.629 1.00 41.23 C ATOM 537 C TRP A 38 13.093 7.704 -20.312 1.00 34.45 C ATOM 538 O TRP A 38 12.748 8.741 -20.875 1.00 50.42 O ATOM 539 CB TRP A 38 11.857 6.404 -22.055 1.00 52.14 C ATOM 540 CG TRP A 38 12.179 5.168 -22.840 1.00 3.41 C ATOM 541 CD1 TRP A 38 12.407 3.917 -22.341 1.00 51.45 C ATOM 542 CD2 TRP A 38 12.312 5.066 -24.262 1.00 11.32 C ATOM 543 NE1 TRP A 38 12.673 3.044 -23.368 1.00 61.31 N ATOM 544 CE2 TRP A 38 12.620 3.724 -24.556 1.00 71.40 C ATOM 545 CE3 TRP A 38 12.198 5.978 -25.315 1.00 64.40 C ATOM 546 CZ2 TRP A 38 12.816 3.274 -25.859 1.00 24.41 C ATOM 547 CZ3 TRP A 38 12.394 5.529 -26.608 1.00 10.45 C ATOM 548 CH2 TRP A 38 12.699 4.187 -26.871 1.00 3.43 C ATOM 0 H TRP A 38 10.413 6.399 -19.986 1.00 70.23 H new ATOM 0 HA TRP A 38 13.148 5.581 -20.547 1.00 41.23 H new ATOM 0 HB2 TRP A 38 10.775 6.529 -22.016 1.00 52.14 H new ATOM 0 HB3 TRP A 38 12.259 7.272 -22.577 1.00 52.14 H new ATOM 0 HD1 TRP A 38 12.382 3.653 -21.294 1.00 51.45 H new ATOM 0 HE1 TRP A 38 12.877 2.050 -23.263 1.00 61.31 H new ATOM 0 HE3 TRP A 38 11.961 7.014 -25.122 1.00 64.40 H new ATOM 0 HZ2 TRP A 38 13.052 2.240 -26.064 1.00 24.41 H new ATOM 0 HZ3 TRP A 38 12.311 6.225 -27.430 1.00 10.45 H new ATOM 0 HH2 TRP A 38 12.845 3.867 -27.892 1.00 3.43 H new ATOM 559 N GLY A 39 14.064 7.661 -19.405 1.00 1.34 N ATOM 560 CA GLY A 39 14.780 8.866 -19.028 1.00 44.02 C ATOM 561 C GLY A 39 14.793 9.088 -17.529 1.00 11.52 C ATOM 562 O GLY A 39 14.010 9.880 -17.005 1.00 33.50 O ATOM 0 H GLY A 39 14.368 6.814 -18.925 1.00 1.34 H new ATOM 0 HA2 GLY A 39 15.806 8.804 -19.392 1.00 44.02 H new ATOM 0 HA3 GLY A 39 14.320 9.726 -19.515 1.00 44.02 H new ATOM 566 N GLY A 40 15.684 8.387 -16.835 1.00 64.12 N ATOM 567 CA GLY A 40 15.777 8.525 -15.394 1.00 25.45 C ATOM 568 C GLY A 40 16.959 7.772 -14.814 1.00 71.04 C ATOM 569 O GLY A 40 18.067 7.836 -15.346 1.00 43.25 O ATOM 0 H GLY A 40 16.343 7.726 -17.245 1.00 64.12 H new ATOM 0 HA2 GLY A 40 15.862 9.581 -15.138 1.00 25.45 H new ATOM 0 HA3 GLY A 40 14.858 8.159 -14.937 1.00 25.45 H new ATOM 573 N LYS A 41 16.724 7.057 -13.719 1.00 53.13 N ATOM 574 CA LYS A 41 17.777 6.289 -13.066 1.00 34.32 C ATOM 575 C LYS A 41 18.457 5.348 -14.055 1.00 24.12 C ATOM 576 O LYS A 41 17.800 4.537 -14.708 1.00 2.10 O ATOM 577 CB LYS A 41 17.200 5.487 -11.897 1.00 24.23 C ATOM 578 CG LYS A 41 18.049 5.550 -10.639 1.00 1.34 C ATOM 579 CD LYS A 41 17.195 5.461 -9.385 1.00 3.31 C ATOM 580 CE LYS A 41 16.826 4.021 -9.063 1.00 53.43 C ATOM 581 NZ LYS A 41 16.275 3.884 -7.687 1.00 14.43 N ATOM 0 H LYS A 41 15.813 6.994 -13.265 1.00 53.13 H new ATOM 0 HA LYS A 41 18.522 6.989 -12.687 1.00 34.32 H new ATOM 0 HB2 LYS A 41 16.201 5.859 -11.670 1.00 24.23 H new ATOM 0 HB3 LYS A 41 17.091 4.446 -12.200 1.00 24.23 H new ATOM 0 HG2 LYS A 41 18.773 4.735 -10.646 1.00 1.34 H new ATOM 0 HG3 LYS A 41 18.617 6.480 -10.628 1.00 1.34 H new ATOM 0 HD2 LYS A 41 17.735 5.896 -8.544 1.00 3.31 H new ATOM 0 HD3 LYS A 41 16.287 6.049 -9.519 1.00 3.31 H new ATOM 0 HE2 LYS A 41 16.092 3.664 -9.785 1.00 53.43 H new ATOM 0 HE3 LYS A 41 17.708 3.389 -9.166 1.00 53.43 H new ATOM 0 HZ1 LYS A 41 16.036 2.888 -7.506 1.00 14.43 H new ATOM 0 HZ2 LYS A 41 16.985 4.201 -6.996 1.00 14.43 H new ATOM 0 HZ3 LYS A 41 15.419 4.467 -7.596 1.00 14.43 H new ATOM 595 N TYR A 42 19.777 5.460 -14.159 1.00 12.42 N ATOM 596 CA TYR A 42 20.546 4.620 -15.069 1.00 2.22 C ATOM 597 C TYR A 42 19.949 4.648 -16.472 1.00 52.03 C ATOM 598 O TYR A 42 20.029 3.669 -17.213 1.00 33.00 O ATOM 599 CB TYR A 42 20.594 3.182 -14.551 1.00 73.31 C ATOM 600 CG TYR A 42 20.898 3.080 -13.074 1.00 22.44 C ATOM 601 CD1 TYR A 42 22.106 3.534 -12.560 1.00 4.10 C ATOM 602 CD2 TYR A 42 19.977 2.529 -12.191 1.00 13.40 C ATOM 603 CE1 TYR A 42 22.389 3.442 -11.211 1.00 11.01 C ATOM 604 CE2 TYR A 42 20.250 2.435 -10.840 1.00 61.41 C ATOM 605 CZ TYR A 42 21.458 2.892 -10.355 1.00 74.20 C ATOM 606 OH TYR A 42 21.735 2.800 -9.010 1.00 73.33 O ATOM 0 H TYR A 42 20.336 6.124 -13.624 1.00 12.42 H new ATOM 0 HA TYR A 42 21.561 5.015 -15.118 1.00 2.22 H new ATOM 0 HB2 TYR A 42 19.636 2.701 -14.750 1.00 73.31 H new ATOM 0 HB3 TYR A 42 21.350 2.629 -15.108 1.00 73.31 H new ATOM 0 HD1 TYR A 42 22.837 3.967 -13.227 1.00 4.10 H new ATOM 0 HD2 TYR A 42 19.031 2.168 -12.568 1.00 13.40 H new ATOM 0 HE1 TYR A 42 23.334 3.799 -10.829 1.00 11.01 H new ATOM 0 HE2 TYR A 42 19.522 2.006 -10.167 1.00 61.41 H new ATOM 0 HH TYR A 42 20.975 2.390 -8.547 1.00 73.33 H new ATOM 616 N GLY A 43 19.350 5.780 -16.831 1.00 74.53 N ATOM 617 CA GLY A 43 18.747 5.916 -18.145 1.00 25.24 C ATOM 618 C GLY A 43 17.319 5.410 -18.183 1.00 11.53 C ATOM 619 O GLY A 43 16.498 5.785 -17.346 1.00 45.42 O ATOM 0 H GLY A 43 19.272 6.605 -16.236 1.00 74.53 H new ATOM 0 HA2 GLY A 43 18.766 6.964 -18.443 1.00 25.24 H new ATOM 0 HA3 GLY A 43 19.343 5.367 -18.874 1.00 25.24 H new ATOM 623 N ASN A 44 17.020 4.558 -19.158 1.00 22.25 N ATOM 624 CA ASN A 44 15.680 4.002 -19.303 1.00 13.12 C ATOM 625 C ASN A 44 15.492 2.789 -18.396 1.00 44.41 C ATOM 626 O ASN A 44 16.292 1.854 -18.420 1.00 51.32 O ATOM 627 CB ASN A 44 15.423 3.609 -20.759 1.00 22.40 C ATOM 628 CG ASN A 44 16.482 2.667 -21.299 1.00 24.04 C ATOM 629 OD1 ASN A 44 16.396 1.452 -21.123 1.00 71.50 O ATOM 630 ND2 ASN A 44 17.490 3.226 -21.959 1.00 74.03 N ATOM 0 H ASN A 44 17.688 4.238 -19.859 1.00 22.25 H new ATOM 0 HA ASN A 44 14.963 4.768 -19.008 1.00 13.12 H new ATOM 0 HB2 ASN A 44 14.445 3.135 -20.837 1.00 22.40 H new ATOM 0 HB3 ASN A 44 15.392 4.508 -21.375 1.00 22.40 H new ATOM 0 HD21 ASN A 44 18.233 2.643 -22.344 1.00 74.03 H new ATOM 0 HD22 ASN A 44 17.521 4.238 -22.081 1.00 74.03 H new ATOM 637 N ALA A 45 14.430 2.813 -17.598 1.00 22.13 N ATOM 638 CA ALA A 45 14.136 1.715 -16.685 1.00 70.03 C ATOM 639 C ALA A 45 12.635 1.579 -16.456 1.00 14.44 C ATOM 640 O ALA A 45 11.885 2.546 -16.596 1.00 73.03 O ATOM 641 CB ALA A 45 14.858 1.921 -15.362 1.00 31.32 C ATOM 0 H ALA A 45 13.759 3.580 -17.565 1.00 22.13 H new ATOM 0 HA ALA A 45 14.492 0.791 -17.140 1.00 70.03 H new ATOM 0 HB1 ALA A 45 14.629 1.094 -14.690 1.00 31.32 H new ATOM 0 HB2 ALA A 45 15.933 1.960 -15.537 1.00 31.32 H new ATOM 0 HB3 ALA A 45 14.529 2.857 -14.910 1.00 31.32 H new ATOM 647 N CYS A 46 12.201 0.374 -16.102 1.00 23.00 N ATOM 648 CA CYS A 46 10.789 0.111 -15.854 1.00 20.13 C ATOM 649 C CYS A 46 10.365 0.655 -14.493 1.00 3.43 C ATOM 650 O CYS A 46 10.881 0.235 -13.457 1.00 10.21 O ATOM 651 CB CYS A 46 10.509 -1.392 -15.924 1.00 14.50 C ATOM 652 SG CYS A 46 8.972 -1.821 -16.803 1.00 41.25 S ATOM 0 H CYS A 46 12.808 -0.437 -15.980 1.00 23.00 H new ATOM 0 HA CYS A 46 10.210 0.619 -16.625 1.00 20.13 H new ATOM 0 HB2 CYS A 46 11.347 -1.884 -16.418 1.00 14.50 H new ATOM 0 HB3 CYS A 46 10.458 -1.789 -14.910 1.00 14.50 H new ATOM 657 N TRP A 47 9.424 1.592 -14.504 1.00 34.32 N ATOM 658 CA TRP A 47 8.930 2.194 -13.270 1.00 62.23 C ATOM 659 C TRP A 47 7.541 1.669 -12.926 1.00 73.22 C ATOM 660 O TRP A 47 6.742 1.370 -13.814 1.00 73.42 O ATOM 661 CB TRP A 47 8.895 3.717 -13.401 1.00 3.43 C ATOM 662 CG TRP A 47 8.271 4.400 -12.222 1.00 14.32 C ATOM 663 CD1 TRP A 47 6.936 4.552 -11.975 1.00 21.22 C ATOM 664 CD2 TRP A 47 8.956 5.025 -11.131 1.00 41.53 C ATOM 665 NE1 TRP A 47 6.751 5.234 -10.796 1.00 74.43 N ATOM 666 CE2 TRP A 47 7.974 5.535 -10.259 1.00 61.31 C ATOM 667 CE3 TRP A 47 10.303 5.203 -10.806 1.00 24.24 C ATOM 668 CZ2 TRP A 47 8.299 6.209 -9.085 1.00 42.22 C ATOM 669 CZ3 TRP A 47 10.624 5.873 -9.640 1.00 63.24 C ATOM 670 CH2 TRP A 47 9.626 6.369 -8.791 1.00 61.32 C ATOM 0 H TRP A 47 8.988 1.952 -15.353 1.00 34.32 H new ATOM 0 HA TRP A 47 9.611 1.921 -12.464 1.00 62.23 H new ATOM 0 HB2 TRP A 47 9.912 4.087 -13.530 1.00 3.43 H new ATOM 0 HB3 TRP A 47 8.342 3.985 -14.301 1.00 3.43 H new ATOM 0 HD1 TRP A 47 6.143 4.190 -12.612 1.00 21.22 H new ATOM 0 HE1 TRP A 47 5.849 5.477 -10.387 1.00 74.43 H new ATOM 0 HE3 TRP A 47 11.080 4.824 -11.454 1.00 24.24 H new ATOM 0 HZ2 TRP A 47 7.531 6.592 -8.429 1.00 42.22 H new ATOM 0 HZ3 TRP A 47 11.662 6.017 -9.379 1.00 63.24 H new ATOM 0 HH2 TRP A 47 9.909 6.888 -7.887 1.00 61.32 H new ATOM 681 N CYS A 48 7.258 1.559 -11.632 1.00 50.05 N ATOM 682 CA CYS A 48 5.965 1.070 -11.171 1.00 33.33 C ATOM 683 C CYS A 48 5.436 1.927 -10.024 1.00 44.33 C ATOM 684 O CYS A 48 6.210 2.520 -9.271 1.00 70.25 O ATOM 685 CB CYS A 48 6.078 -0.388 -10.721 1.00 64.20 C ATOM 686 SG CYS A 48 5.492 -1.594 -11.954 1.00 31.53 S ATOM 0 H CYS A 48 7.908 1.802 -10.884 1.00 50.05 H new ATOM 0 HA CYS A 48 5.264 1.134 -12.003 1.00 33.33 H new ATOM 0 HB2 CYS A 48 7.120 -0.604 -10.484 1.00 64.20 H new ATOM 0 HB3 CYS A 48 5.508 -0.518 -9.801 1.00 64.20 H new ATOM 691 N ILE A 49 4.115 1.988 -9.899 1.00 0.14 N ATOM 692 CA ILE A 49 3.484 2.771 -8.844 1.00 12.50 C ATOM 693 C ILE A 49 2.701 1.877 -7.888 1.00 41.24 C ATOM 694 O ILE A 49 1.863 1.081 -8.312 1.00 31.25 O ATOM 695 CB ILE A 49 2.535 3.837 -9.425 1.00 25.01 C ATOM 696 CG1 ILE A 49 3.256 4.666 -10.490 1.00 70.12 C ATOM 697 CG2 ILE A 49 2.005 4.734 -8.317 1.00 12.41 C ATOM 698 CD1 ILE A 49 2.335 5.577 -11.272 1.00 24.31 C ATOM 0 H ILE A 49 3.461 1.505 -10.515 1.00 0.14 H new ATOM 0 HA ILE A 49 4.286 3.268 -8.298 1.00 12.50 H new ATOM 0 HB ILE A 49 1.690 3.334 -9.894 1.00 25.01 H new ATOM 0 HG12 ILE A 49 4.027 5.268 -10.010 1.00 70.12 H new ATOM 0 HG13 ILE A 49 3.762 3.993 -11.182 1.00 70.12 H new ATOM 0 HG21 ILE A 49 1.336 5.482 -8.743 1.00 12.41 H new ATOM 0 HG22 ILE A 49 1.460 4.131 -7.590 1.00 12.41 H new ATOM 0 HG23 ILE A 49 2.839 5.232 -7.822 1.00 12.41 H new ATOM 0 HD11 ILE A 49 2.914 6.134 -12.009 1.00 24.31 H new ATOM 0 HD12 ILE A 49 1.578 4.980 -11.781 1.00 24.31 H new ATOM 0 HD13 ILE A 49 1.848 6.275 -10.590 1.00 24.31 H new ATOM 710 N LYS A 50 2.979 2.015 -6.596 1.00 52.14 N ATOM 711 CA LYS A 50 2.299 1.223 -5.578 1.00 64.34 C ATOM 712 C LYS A 50 2.647 -0.256 -5.718 1.00 42.10 C ATOM 713 O LYS A 50 1.895 -1.027 -6.316 1.00 23.35 O ATOM 714 CB LYS A 50 0.784 1.413 -5.681 1.00 44.14 C ATOM 715 CG LYS A 50 0.197 2.241 -4.551 1.00 43.05 C ATOM 716 CD LYS A 50 -0.161 3.643 -5.015 1.00 75.23 C ATOM 717 CE LYS A 50 0.146 4.680 -3.946 1.00 22.41 C ATOM 718 NZ LYS A 50 -0.138 6.063 -4.417 1.00 14.43 N ATOM 0 H LYS A 50 3.671 2.668 -6.229 1.00 52.14 H new ATOM 0 HA LYS A 50 2.636 1.567 -4.600 1.00 64.34 H new ATOM 0 HB2 LYS A 50 0.550 1.893 -6.631 1.00 44.14 H new ATOM 0 HB3 LYS A 50 0.303 0.435 -5.691 1.00 44.14 H new ATOM 0 HG2 LYS A 50 -0.693 1.747 -4.161 1.00 43.05 H new ATOM 0 HG3 LYS A 50 0.913 2.300 -3.732 1.00 43.05 H new ATOM 0 HD2 LYS A 50 0.394 3.880 -5.923 1.00 75.23 H new ATOM 0 HD3 LYS A 50 -1.220 3.684 -5.269 1.00 75.23 H new ATOM 0 HE2 LYS A 50 -0.447 4.471 -3.056 1.00 22.41 H new ATOM 0 HE3 LYS A 50 1.194 4.603 -3.656 1.00 22.41 H new ATOM 0 HZ1 LYS A 50 0.084 6.740 -3.660 1.00 14.43 H new ATOM 0 HZ2 LYS A 50 0.447 6.273 -5.251 1.00 14.43 H new ATOM 0 HZ3 LYS A 50 -1.144 6.144 -4.670 1.00 14.43 H new ATOM 732 N LEU A 51 3.789 -0.645 -5.163 1.00 23.24 N ATOM 733 CA LEU A 51 4.236 -2.033 -5.224 1.00 0.42 C ATOM 734 C LEU A 51 4.316 -2.641 -3.827 1.00 61.03 C ATOM 735 O LEU A 51 4.677 -1.978 -2.855 1.00 21.35 O ATOM 736 CB LEU A 51 5.601 -2.120 -5.910 1.00 14.05 C ATOM 737 CG LEU A 51 5.724 -3.153 -7.030 1.00 53.12 C ATOM 738 CD1 LEU A 51 6.187 -2.490 -8.318 1.00 61.43 C ATOM 739 CD2 LEU A 51 6.680 -4.266 -6.627 1.00 33.01 C ATOM 0 H LEU A 51 4.423 -0.019 -4.666 1.00 23.24 H new ATOM 0 HA LEU A 51 3.508 -2.599 -5.805 1.00 0.42 H new ATOM 0 HB2 LEU A 51 5.843 -1.139 -6.319 1.00 14.05 H new ATOM 0 HB3 LEU A 51 6.352 -2.343 -5.153 1.00 14.05 H new ATOM 0 HG LEU A 51 4.741 -3.591 -7.204 1.00 53.12 H new ATOM 0 HD11 LEU A 51 6.269 -3.240 -9.104 1.00 61.43 H new ATOM 0 HD12 LEU A 51 5.465 -1.730 -8.616 1.00 61.43 H new ATOM 0 HD13 LEU A 51 7.159 -2.024 -8.158 1.00 61.43 H new ATOM 0 HD21 LEU A 51 6.755 -4.992 -7.437 1.00 33.01 H new ATOM 0 HD22 LEU A 51 7.665 -3.844 -6.425 1.00 33.01 H new ATOM 0 HD23 LEU A 51 6.306 -4.760 -5.730 1.00 33.01 H new ATOM 751 N PRO A 52 3.974 -3.934 -3.724 1.00 52.22 N ATOM 752 CA PRO A 52 4.001 -4.661 -2.452 1.00 5.03 C ATOM 753 C PRO A 52 5.422 -4.896 -1.949 1.00 52.20 C ATOM 754 O PRO A 52 6.356 -5.027 -2.740 1.00 24.34 O ATOM 755 CB PRO A 52 3.327 -5.993 -2.789 1.00 52.25 C ATOM 756 CG PRO A 52 3.547 -6.168 -4.252 1.00 74.54 C ATOM 757 CD PRO A 52 3.534 -4.785 -4.842 1.00 72.31 C ATOM 0 HA PRO A 52 3.505 -4.106 -1.656 1.00 5.03 H new ATOM 0 HB2 PRO A 52 3.766 -6.814 -2.222 1.00 52.25 H new ATOM 0 HB3 PRO A 52 2.264 -5.971 -2.548 1.00 52.25 H new ATOM 0 HG2 PRO A 52 4.497 -6.666 -4.447 1.00 74.54 H new ATOM 0 HG3 PRO A 52 2.766 -6.787 -4.693 1.00 74.54 H new ATOM 0 HD2 PRO A 52 4.207 -4.706 -5.696 1.00 72.31 H new ATOM 0 HD3 PRO A 52 2.540 -4.507 -5.192 1.00 72.31 H new ATOM 765 N ASP A 53 5.577 -4.948 -0.631 1.00 13.33 N ATOM 766 CA ASP A 53 6.884 -5.168 -0.023 1.00 33.45 C ATOM 767 C ASP A 53 7.503 -6.469 -0.523 1.00 63.42 C ATOM 768 O ASP A 53 8.722 -6.574 -0.666 1.00 55.41 O ATOM 769 CB ASP A 53 6.762 -5.201 1.502 1.00 53.43 C ATOM 770 CG ASP A 53 7.904 -4.480 2.189 1.00 5.33 C ATOM 771 OD1 ASP A 53 8.396 -3.478 1.629 1.00 13.44 O ATOM 772 OD2 ASP A 53 8.308 -4.918 3.287 1.00 22.10 O ATOM 0 H ASP A 53 4.814 -4.841 0.037 1.00 13.33 H new ATOM 0 HA ASP A 53 7.535 -4.342 -0.310 1.00 33.45 H new ATOM 0 HB2 ASP A 53 5.817 -4.745 1.798 1.00 53.43 H new ATOM 0 HB3 ASP A 53 6.735 -6.237 1.839 1.00 53.43 H new ATOM 777 N SER A 54 6.656 -7.459 -0.787 1.00 64.21 N ATOM 778 CA SER A 54 7.121 -8.755 -1.267 1.00 61.41 C ATOM 779 C SER A 54 8.075 -8.588 -2.446 1.00 3.12 C ATOM 780 O SER A 54 8.977 -9.401 -2.650 1.00 3.54 O ATOM 781 CB SER A 54 5.933 -9.627 -1.678 1.00 53.32 C ATOM 782 OG SER A 54 5.754 -10.705 -0.776 1.00 4.43 O ATOM 0 H SER A 54 5.644 -7.388 -0.677 1.00 64.21 H new ATOM 0 HA SER A 54 7.658 -9.244 -0.454 1.00 61.41 H new ATOM 0 HB2 SER A 54 5.027 -9.021 -1.710 1.00 53.32 H new ATOM 0 HB3 SER A 54 6.093 -10.014 -2.684 1.00 53.32 H new ATOM 0 HG SER A 54 4.988 -11.246 -1.060 1.00 4.43 H new ATOM 788 N VAL A 55 7.869 -7.527 -3.220 1.00 21.11 N ATOM 789 CA VAL A 55 8.710 -7.251 -4.378 1.00 45.21 C ATOM 790 C VAL A 55 9.401 -5.898 -4.246 1.00 30.15 C ATOM 791 O VAL A 55 8.920 -4.877 -4.737 1.00 12.34 O ATOM 792 CB VAL A 55 7.893 -7.272 -5.683 1.00 41.15 C ATOM 793 CG1 VAL A 55 8.759 -6.855 -6.863 1.00 30.34 C ATOM 794 CG2 VAL A 55 7.292 -8.650 -5.913 1.00 64.42 C ATOM 0 H VAL A 55 7.127 -6.845 -3.066 1.00 21.11 H new ATOM 0 HA VAL A 55 9.463 -8.038 -4.417 1.00 45.21 H new ATOM 0 HB VAL A 55 7.077 -6.555 -5.591 1.00 41.15 H new ATOM 0 HG11 VAL A 55 8.164 -6.876 -7.776 1.00 30.34 H new ATOM 0 HG12 VAL A 55 9.136 -5.846 -6.699 1.00 30.34 H new ATOM 0 HG13 VAL A 55 9.598 -7.544 -6.960 1.00 30.34 H new ATOM 0 HG21 VAL A 55 6.718 -8.647 -6.840 1.00 64.42 H new ATOM 0 HG22 VAL A 55 8.091 -9.388 -5.984 1.00 64.42 H new ATOM 0 HG23 VAL A 55 6.636 -8.904 -5.081 1.00 64.42 H new ATOM 804 N PRO A 56 10.557 -5.888 -3.566 1.00 65.22 N ATOM 805 CA PRO A 56 11.340 -4.667 -3.354 1.00 24.22 C ATOM 806 C PRO A 56 11.979 -4.157 -4.641 1.00 11.30 C ATOM 807 O PRO A 56 12.649 -4.906 -5.352 1.00 30.31 O ATOM 808 CB PRO A 56 12.418 -5.106 -2.359 1.00 44.44 C ATOM 809 CG PRO A 56 12.559 -6.573 -2.575 1.00 55.00 C ATOM 810 CD PRO A 56 11.190 -7.068 -2.954 1.00 22.44 C ATOM 0 HA PRO A 56 10.722 -3.843 -2.998 1.00 24.22 H new ATOM 0 HB2 PRO A 56 13.359 -4.587 -2.541 1.00 44.44 H new ATOM 0 HB3 PRO A 56 12.124 -4.883 -1.333 1.00 44.44 H new ATOM 0 HG2 PRO A 56 13.282 -6.784 -3.363 1.00 55.00 H new ATOM 0 HG3 PRO A 56 12.917 -7.068 -1.672 1.00 55.00 H new ATOM 0 HD2 PRO A 56 11.244 -7.903 -3.653 1.00 22.44 H new ATOM 0 HD3 PRO A 56 10.634 -7.416 -2.084 1.00 22.44 H new ATOM 818 N ILE A 57 11.767 -2.878 -4.934 1.00 64.22 N ATOM 819 CA ILE A 57 12.324 -2.268 -6.135 1.00 62.23 C ATOM 820 C ILE A 57 13.838 -2.444 -6.190 1.00 30.10 C ATOM 821 O ILE A 57 14.436 -3.042 -5.295 1.00 44.43 O ATOM 822 CB ILE A 57 11.990 -0.767 -6.211 1.00 0.31 C ATOM 823 CG1 ILE A 57 12.370 -0.071 -4.902 1.00 55.01 C ATOM 824 CG2 ILE A 57 10.512 -0.568 -6.514 1.00 5.41 C ATOM 825 CD1 ILE A 57 13.846 0.235 -4.787 1.00 4.13 C ATOM 0 H ILE A 57 11.214 -2.245 -4.356 1.00 64.22 H new ATOM 0 HA ILE A 57 11.870 -2.776 -6.986 1.00 62.23 H new ATOM 0 HB ILE A 57 12.570 -0.321 -7.019 1.00 0.31 H new ATOM 0 HG12 ILE A 57 11.807 0.858 -4.817 1.00 55.01 H new ATOM 0 HG13 ILE A 57 12.072 -0.702 -4.065 1.00 55.01 H new ATOM 0 HG21 ILE A 57 10.291 0.498 -6.565 1.00 5.41 H new ATOM 0 HG22 ILE A 57 10.270 -1.034 -7.469 1.00 5.41 H new ATOM 0 HG23 ILE A 57 9.914 -1.025 -5.726 1.00 5.41 H new ATOM 0 HD11 ILE A 57 14.042 0.728 -3.835 1.00 4.13 H new ATOM 0 HD12 ILE A 57 14.415 -0.693 -4.839 1.00 4.13 H new ATOM 0 HD13 ILE A 57 14.146 0.891 -5.604 1.00 4.13 H new ATOM 837 N ARG A 58 14.451 -1.918 -7.245 1.00 65.11 N ATOM 838 CA ARG A 58 15.896 -2.016 -7.416 1.00 70.24 C ATOM 839 C ARG A 58 16.625 -1.162 -6.383 1.00 62.04 C ATOM 840 O ARG A 58 16.492 0.062 -6.368 1.00 75.33 O ATOM 841 CB ARG A 58 16.294 -1.580 -8.827 1.00 44.05 C ATOM 842 CG ARG A 58 17.320 -2.492 -9.480 1.00 62.11 C ATOM 843 CD ARG A 58 18.712 -2.260 -8.914 1.00 23.25 C ATOM 844 NE ARG A 58 19.737 -2.974 -9.671 1.00 2.05 N ATOM 845 CZ ARG A 58 21.013 -3.033 -9.305 1.00 40.14 C ATOM 846 NH1 ARG A 58 21.418 -2.424 -8.200 1.00 23.14 N ATOM 847 NH2 ARG A 58 21.886 -3.702 -10.047 1.00 23.31 N ATOM 0 H ARG A 58 13.970 -1.420 -7.994 1.00 65.11 H new ATOM 0 HA ARG A 58 16.185 -3.057 -7.270 1.00 70.24 H new ATOM 0 HB2 ARG A 58 15.402 -1.544 -9.452 1.00 44.05 H new ATOM 0 HB3 ARG A 58 16.695 -0.567 -8.786 1.00 44.05 H new ATOM 0 HG2 ARG A 58 17.033 -3.532 -9.328 1.00 62.11 H new ATOM 0 HG3 ARG A 58 17.330 -2.318 -10.556 1.00 62.11 H new ATOM 0 HD2 ARG A 58 18.933 -1.193 -8.922 1.00 23.25 H new ATOM 0 HD3 ARG A 58 18.739 -2.583 -7.873 1.00 23.25 H new ATOM 0 HE ARG A 58 19.458 -3.453 -10.527 1.00 2.05 H new ATOM 0 HH11 ARG A 58 20.750 -1.908 -7.628 1.00 23.14 H new ATOM 0 HH12 ARG A 58 22.398 -2.471 -7.922 1.00 23.14 H new ATOM 0 HH21 ARG A 58 21.578 -4.171 -10.899 1.00 23.31 H new ATOM 0 HH22 ARG A 58 22.865 -3.747 -9.766 1.00 23.31 H new ATOM 861 N VAL A 59 17.397 -1.816 -5.521 1.00 14.14 N ATOM 862 CA VAL A 59 18.148 -1.117 -4.485 1.00 35.15 C ATOM 863 C VAL A 59 19.560 -0.790 -4.955 1.00 62.25 C ATOM 864 O VAL A 59 20.101 -1.424 -5.862 1.00 2.30 O ATOM 865 CB VAL A 59 18.229 -1.950 -3.192 1.00 21.43 C ATOM 866 CG1 VAL A 59 16.881 -1.979 -2.489 1.00 14.13 C ATOM 867 CG2 VAL A 59 18.710 -3.361 -3.497 1.00 44.20 C ATOM 0 H VAL A 59 17.519 -2.829 -5.520 1.00 14.14 H new ATOM 0 HA VAL A 59 17.614 -0.190 -4.278 1.00 35.15 H new ATOM 0 HB VAL A 59 18.950 -1.480 -2.523 1.00 21.43 H new ATOM 0 HG11 VAL A 59 16.959 -2.572 -1.578 1.00 14.13 H new ATOM 0 HG12 VAL A 59 16.581 -0.962 -2.236 1.00 14.13 H new ATOM 0 HG13 VAL A 59 16.136 -2.423 -3.149 1.00 14.13 H new ATOM 0 HG21 VAL A 59 18.761 -3.936 -2.572 1.00 44.20 H new ATOM 0 HG22 VAL A 59 18.014 -3.842 -4.185 1.00 44.20 H new ATOM 0 HG23 VAL A 59 19.699 -3.318 -3.953 1.00 44.20 H new ATOM 877 N PRO A 60 20.174 0.223 -4.326 1.00 62.40 N ATOM 878 CA PRO A 60 21.533 0.656 -4.663 1.00 43.41 C ATOM 879 C PRO A 60 22.587 -0.367 -4.253 1.00 11.43 C ATOM 880 O PRO A 60 22.924 -0.487 -3.076 1.00 35.54 O ATOM 881 CB PRO A 60 21.702 1.949 -3.861 1.00 1.11 C ATOM 882 CG PRO A 60 20.759 1.810 -2.716 1.00 40.50 C ATOM 883 CD PRO A 60 19.589 1.022 -3.236 1.00 62.14 C ATOM 0 HA PRO A 60 21.665 0.784 -5.737 1.00 43.41 H new ATOM 0 HB2 PRO A 60 22.729 2.070 -3.516 1.00 1.11 H new ATOM 0 HB3 PRO A 60 21.464 2.824 -4.466 1.00 1.11 H new ATOM 0 HG2 PRO A 60 21.234 1.297 -1.880 1.00 40.50 H new ATOM 0 HG3 PRO A 60 20.441 2.787 -2.352 1.00 40.50 H new ATOM 0 HD2 PRO A 60 19.155 0.389 -2.462 1.00 62.14 H new ATOM 0 HD3 PRO A 60 18.794 1.674 -3.598 1.00 62.14 H new ATOM 891 N GLY A 61 23.105 -1.102 -5.232 1.00 50.43 N ATOM 892 CA GLY A 61 24.116 -2.105 -4.952 1.00 54.31 C ATOM 893 C GLY A 61 24.488 -2.911 -6.180 1.00 72.42 C ATOM 894 O GLY A 61 24.296 -2.461 -7.310 1.00 71.30 O ATOM 0 H GLY A 61 22.843 -1.021 -6.214 1.00 50.43 H new ATOM 0 HA2 GLY A 61 25.007 -1.618 -4.557 1.00 54.31 H new ATOM 0 HA3 GLY A 61 23.751 -2.778 -4.176 1.00 54.31 H new ATOM 898 N LYS A 62 25.024 -4.107 -5.960 1.00 74.35 N ATOM 899 CA LYS A 62 25.425 -4.980 -7.058 1.00 12.23 C ATOM 900 C LYS A 62 24.292 -5.926 -7.443 1.00 11.23 C ATOM 901 O LYS A 62 23.328 -6.094 -6.695 1.00 2.42 O ATOM 902 CB LYS A 62 26.666 -5.786 -6.668 1.00 1.40 C ATOM 903 CG LYS A 62 27.936 -4.955 -6.607 1.00 1.33 C ATOM 904 CD LYS A 62 28.294 -4.588 -5.176 1.00 51.32 C ATOM 905 CE LYS A 62 29.720 -4.070 -5.074 1.00 3.32 C ATOM 906 NZ LYS A 62 30.523 -4.847 -4.089 1.00 41.32 N ATOM 0 H LYS A 62 25.191 -4.494 -5.031 1.00 74.35 H new ATOM 0 HA LYS A 62 25.661 -4.355 -7.919 1.00 12.23 H new ATOM 0 HB2 LYS A 62 26.498 -6.249 -5.696 1.00 1.40 H new ATOM 0 HB3 LYS A 62 26.805 -6.594 -7.386 1.00 1.40 H new ATOM 0 HG2 LYS A 62 28.758 -5.511 -7.057 1.00 1.33 H new ATOM 0 HG3 LYS A 62 27.806 -4.046 -7.195 1.00 1.33 H new ATOM 0 HD2 LYS A 62 27.603 -3.829 -4.810 1.00 51.32 H new ATOM 0 HD3 LYS A 62 28.176 -5.462 -4.535 1.00 51.32 H new ATOM 0 HE2 LYS A 62 30.196 -4.122 -6.053 1.00 3.32 H new ATOM 0 HE3 LYS A 62 29.705 -3.020 -4.783 1.00 3.32 H new ATOM 0 HZ1 LYS A 62 31.489 -4.463 -4.049 1.00 41.32 H new ATOM 0 HZ2 LYS A 62 30.083 -4.776 -3.149 1.00 41.32 H new ATOM 0 HZ3 LYS A 62 30.559 -5.845 -4.380 1.00 41.32 H new ATOM 920 N CYS A 63 24.415 -6.543 -8.613 1.00 54.01 N ATOM 921 CA CYS A 63 23.402 -7.473 -9.097 1.00 71.24 C ATOM 922 C CYS A 63 23.913 -8.910 -9.044 1.00 62.01 C ATOM 923 O CYS A 63 25.091 -9.169 -9.289 1.00 2.13 O ATOM 924 CB CYS A 63 22.996 -7.118 -10.529 1.00 13.40 C ATOM 925 SG CYS A 63 21.842 -8.304 -11.291 1.00 65.11 S ATOM 0 H CYS A 63 25.206 -6.416 -9.244 1.00 54.01 H new ATOM 0 HA CYS A 63 22.530 -7.391 -8.448 1.00 71.24 H new ATOM 0 HB2 CYS A 63 22.537 -6.129 -10.531 1.00 13.40 H new ATOM 0 HB3 CYS A 63 23.893 -7.054 -11.144 1.00 13.40 H new ATOM 930 N GLN A 64 23.019 -9.839 -8.723 1.00 74.12 N ATOM 931 CA GLN A 64 23.379 -11.249 -8.638 1.00 25.25 C ATOM 932 C GLN A 64 22.278 -12.129 -9.219 1.00 61.31 C ATOM 933 O GLN A 64 21.260 -11.631 -9.701 1.00 21.10 O ATOM 934 CB GLN A 64 23.648 -11.641 -7.184 1.00 33.35 C ATOM 935 CG GLN A 64 25.113 -11.916 -6.888 1.00 3.42 C ATOM 936 CD GLN A 64 25.848 -10.687 -6.390 1.00 2.31 C ATOM 937 OE1 GLN A 64 26.455 -9.953 -7.171 1.00 24.41 O ATOM 938 NE2 GLN A 64 25.797 -10.455 -5.083 1.00 50.34 N ATOM 0 H GLN A 64 22.040 -9.641 -8.517 1.00 74.12 H new ATOM 0 HA GLN A 64 24.286 -11.402 -9.222 1.00 25.25 H new ATOM 0 HB2 GLN A 64 23.298 -10.842 -6.531 1.00 33.35 H new ATOM 0 HB3 GLN A 64 23.064 -12.529 -6.942 1.00 33.35 H new ATOM 0 HG2 GLN A 64 25.187 -12.706 -6.141 1.00 3.42 H new ATOM 0 HG3 GLN A 64 25.599 -12.285 -7.791 1.00 3.42 H new ATOM 0 HE21 GLN A 64 25.282 -11.089 -4.472 1.00 50.34 H new ATOM 0 HE22 GLN A 64 26.272 -9.642 -4.690 1.00 50.34 H new