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 5 TYR OH : rot 62:sc= 0.316 USER MOD Set 1.2: A 37 GLN : amide:sc= 0.97 X(o=1.3,f=1.2) USER MOD Single : A 1 VAL N :NH3+ -118:sc= -0.445 (180deg=-0.598) USER MOD Single : A 8 LYS NZ :NH3+ 175:sc= 0.476 (180deg=0.467) USER MOD Single : A 11 ASN : amide:sc= -2.57 K(o=-2.6,f=-10!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0729 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -0.432 X(o=-0.43,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -81:sc= 0.177 USER MOD Single : A 29 ASN : amide:sc= -2.92! C(o=-2.9!,f=-5.6!) USER MOD Single : A 33 SER OG : rot 56:sc= 0.381 USER MOD Single : A 35 TYR OH : rot -61:sc= 0.00283 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= 0.101 K(o=0.1,f=-2.9!) 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 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 2.036 -0.589 0.347 1.00 30.23 N ATOM 2 CA VAL A 1 2.800 -0.517 -0.892 1.00 71.15 C ATOM 3 C VAL A 1 3.404 0.869 -1.086 1.00 55.42 C ATOM 4 O VAL A 1 3.108 1.797 -0.333 1.00 10.03 O ATOM 5 CB VAL A 1 1.924 -0.858 -2.112 1.00 74.53 C ATOM 6 CG1 VAL A 1 1.389 -2.279 -2.006 1.00 4.35 C ATOM 7 CG2 VAL A 1 0.784 0.140 -2.245 1.00 53.11 C ATOM 0 H1 VAL A 1 2.463 -1.297 0.978 1.00 30.23 H new ATOM 0 H2 VAL A 1 2.043 0.340 0.814 1.00 30.23 H new ATOM 0 H3 VAL A 1 1.055 -0.862 0.135 1.00 30.23 H new ATOM 0 HA VAL A 1 3.601 -1.251 -0.812 1.00 71.15 H new ATOM 0 HB VAL A 1 2.540 -0.793 -3.009 1.00 74.53 H new ATOM 0 HG11 VAL A 1 0.772 -2.502 -2.877 1.00 4.35 H new ATOM 0 HG12 VAL A 1 2.223 -2.980 -1.963 1.00 4.35 H new ATOM 0 HG13 VAL A 1 0.788 -2.375 -1.102 1.00 4.35 H new ATOM 0 HG21 VAL A 1 0.175 -0.116 -3.112 1.00 53.11 H new ATOM 0 HG22 VAL A 1 0.167 0.109 -1.347 1.00 53.11 H new ATOM 0 HG23 VAL A 1 1.191 1.143 -2.371 1.00 53.11 H new ATOM 17 N ARG A 2 4.251 1.003 -2.101 1.00 54.35 N ATOM 18 CA ARG A 2 4.897 2.277 -2.394 1.00 71.13 C ATOM 19 C ARG A 2 5.376 2.323 -3.842 1.00 54.44 C ATOM 20 O ARG A 2 5.624 1.287 -4.458 1.00 64.40 O ATOM 21 CB ARG A 2 6.077 2.503 -1.448 1.00 45.42 C ATOM 22 CG ARG A 2 7.376 1.882 -1.935 1.00 63.03 C ATOM 23 CD ARG A 2 7.267 0.369 -2.035 1.00 32.52 C ATOM 24 NE ARG A 2 7.102 -0.256 -0.725 1.00 15.42 N ATOM 25 CZ ARG A 2 8.064 -0.312 0.189 1.00 11.32 C ATOM 26 NH1 ARG A 2 9.254 0.216 -0.063 1.00 14.32 N ATOM 27 NH2 ARG A 2 7.837 -0.897 1.358 1.00 12.44 N ATOM 0 H ARG A 2 4.506 0.245 -2.734 1.00 54.35 H new ATOM 0 HA ARG A 2 4.164 3.070 -2.246 1.00 71.13 H new ATOM 0 HB2 ARG A 2 6.224 3.575 -1.314 1.00 45.42 H new ATOM 0 HB3 ARG A 2 5.831 2.090 -0.469 1.00 45.42 H new ATOM 0 HG2 ARG A 2 7.634 2.294 -2.910 1.00 63.03 H new ATOM 0 HG3 ARG A 2 8.185 2.145 -1.253 1.00 63.03 H new ATOM 0 HD2 ARG A 2 6.421 0.108 -2.670 1.00 32.52 H new ATOM 0 HD3 ARG A 2 8.161 -0.028 -2.516 1.00 32.52 H new ATOM 0 HE ARG A 2 6.198 -0.672 -0.500 1.00 15.42 H new ATOM 0 HH11 ARG A 2 9.432 0.667 -0.961 1.00 14.32 H new ATOM 0 HH12 ARG A 2 9.991 0.172 0.641 1.00 14.32 H new ATOM 0 HH21 ARG A 2 6.923 -1.304 1.555 1.00 12.44 H new ATOM 0 HH22 ARG A 2 8.577 -0.939 2.059 1.00 12.44 H new ATOM 41 N ASP A 3 5.502 3.532 -4.380 1.00 34.32 N ATOM 42 CA ASP A 3 5.951 3.714 -5.755 1.00 72.22 C ATOM 43 C ASP A 3 7.474 3.770 -5.826 1.00 54.25 C ATOM 44 O ASP A 3 8.129 4.270 -4.913 1.00 44.42 O ATOM 45 CB ASP A 3 5.353 4.992 -6.345 1.00 35.03 C ATOM 46 CG ASP A 3 4.074 5.409 -5.645 1.00 2.35 C ATOM 47 OD1 ASP A 3 3.192 4.546 -5.455 1.00 73.25 O ATOM 48 OD2 ASP A 3 3.957 6.599 -5.285 1.00 14.22 O ATOM 0 H ASP A 3 5.299 4.400 -3.884 1.00 34.32 H new ATOM 0 HA ASP A 3 5.609 2.860 -6.339 1.00 72.22 H new ATOM 0 HB2 ASP A 3 6.083 5.798 -6.273 1.00 35.03 H new ATOM 0 HB3 ASP A 3 5.151 4.839 -7.405 1.00 35.03 H new ATOM 53 N ALA A 4 8.029 3.253 -6.917 1.00 64.22 N ATOM 54 CA ALA A 4 9.474 3.245 -7.108 1.00 44.21 C ATOM 55 C ALA A 4 9.852 2.556 -8.415 1.00 11.01 C ATOM 56 O ALA A 4 8.984 2.170 -9.198 1.00 54.40 O ATOM 57 CB ALA A 4 10.158 2.563 -5.933 1.00 4.04 C ATOM 0 H ALA A 4 7.500 2.834 -7.682 1.00 64.22 H new ATOM 0 HA ALA A 4 9.814 4.279 -7.162 1.00 44.21 H new ATOM 0 HB1 ALA A 4 11.237 2.564 -6.089 1.00 4.04 H new ATOM 0 HB2 ALA A 4 9.924 3.100 -5.014 1.00 4.04 H new ATOM 0 HB3 ALA A 4 9.804 1.535 -5.853 1.00 4.04 H new ATOM 63 N TYR A 5 11.151 2.405 -8.645 1.00 25.05 N ATOM 64 CA TYR A 5 11.644 1.765 -9.859 1.00 32.14 C ATOM 65 C TYR A 5 11.676 0.248 -9.700 1.00 74.12 C ATOM 66 O TYR A 5 12.609 -0.307 -9.120 1.00 64.22 O ATOM 67 CB TYR A 5 13.042 2.282 -10.202 1.00 54.42 C ATOM 68 CG TYR A 5 13.032 3.527 -11.060 1.00 44.51 C ATOM 69 CD1 TYR A 5 12.738 3.458 -12.416 1.00 63.14 C ATOM 70 CD2 TYR A 5 13.319 4.773 -10.515 1.00 75.10 C ATOM 71 CE1 TYR A 5 12.729 4.593 -13.204 1.00 63.45 C ATOM 72 CE2 TYR A 5 13.310 5.913 -11.295 1.00 64.00 C ATOM 73 CZ TYR A 5 13.015 5.818 -12.639 1.00 65.31 C ATOM 74 OH TYR A 5 13.008 6.951 -13.420 1.00 32.12 O ATOM 0 H TYR A 5 11.882 2.717 -8.006 1.00 25.05 H new ATOM 0 HA TYR A 5 10.962 2.013 -10.673 1.00 32.14 H new ATOM 0 HB2 TYR A 5 13.580 2.492 -9.277 1.00 54.42 H new ATOM 0 HB3 TYR A 5 13.594 1.498 -10.720 1.00 54.42 H new ATOM 0 HD1 TYR A 5 12.513 2.501 -12.862 1.00 63.14 H new ATOM 0 HD2 TYR A 5 13.553 4.851 -9.464 1.00 75.10 H new ATOM 0 HE1 TYR A 5 12.499 4.521 -14.257 1.00 63.45 H new ATOM 0 HE2 TYR A 5 13.533 6.874 -10.855 1.00 64.00 H new ATOM 0 HH TYR A 5 12.111 7.088 -13.790 1.00 32.12 H new ATOM 84 N ILE A 6 10.649 -0.416 -10.220 1.00 62.35 N ATOM 85 CA ILE A 6 10.560 -1.869 -10.139 1.00 14.10 C ATOM 86 C ILE A 6 11.758 -2.532 -10.808 1.00 65.04 C ATOM 87 O ILE A 6 12.293 -2.023 -11.793 1.00 54.22 O ATOM 88 CB ILE A 6 9.267 -2.391 -10.793 1.00 52.34 C ATOM 89 CG1 ILE A 6 9.235 -3.920 -10.762 1.00 61.24 C ATOM 90 CG2 ILE A 6 9.154 -1.882 -12.223 1.00 21.12 C ATOM 91 CD1 ILE A 6 7.852 -4.500 -10.961 1.00 62.04 C ATOM 0 H ILE A 6 9.867 0.029 -10.702 1.00 62.35 H new ATOM 0 HA ILE A 6 10.551 -2.126 -9.080 1.00 14.10 H new ATOM 0 HB ILE A 6 8.414 -2.017 -10.226 1.00 52.34 H new ATOM 0 HG12 ILE A 6 9.897 -4.305 -11.538 1.00 61.24 H new ATOM 0 HG13 ILE A 6 9.630 -4.264 -9.806 1.00 61.24 H new ATOM 0 HG21 ILE A 6 8.235 -2.259 -12.672 1.00 21.12 H new ATOM 0 HG22 ILE A 6 9.136 -0.792 -12.221 1.00 21.12 H new ATOM 0 HG23 ILE A 6 10.010 -2.230 -12.802 1.00 21.12 H new ATOM 0 HD11 ILE A 6 7.905 -5.588 -10.927 1.00 62.04 H new ATOM 0 HD12 ILE A 6 7.191 -4.144 -10.170 1.00 62.04 H new ATOM 0 HD13 ILE A 6 7.462 -4.186 -11.929 1.00 62.04 H new ATOM 103 N ALA A 7 12.175 -3.672 -10.268 1.00 22.32 N ATOM 104 CA ALA A 7 13.309 -4.408 -10.815 1.00 15.21 C ATOM 105 C ALA A 7 13.186 -5.900 -10.525 1.00 71.05 C ATOM 106 O ALA A 7 12.270 -6.334 -9.827 1.00 21.53 O ATOM 107 CB ALA A 7 14.613 -3.864 -10.250 1.00 73.24 C ATOM 0 H ALA A 7 11.745 -4.107 -9.452 1.00 22.32 H new ATOM 0 HA ALA A 7 13.311 -4.274 -11.897 1.00 15.21 H new ATOM 0 HB1 ALA A 7 15.451 -4.423 -10.667 1.00 73.24 H new ATOM 0 HB2 ALA A 7 14.712 -2.811 -10.513 1.00 73.24 H new ATOM 0 HB3 ALA A 7 14.611 -3.968 -9.165 1.00 73.24 H new ATOM 113 N LYS A 8 14.114 -6.681 -11.068 1.00 31.34 N ATOM 114 CA LYS A 8 14.111 -8.126 -10.868 1.00 10.43 C ATOM 115 C LYS A 8 15.391 -8.581 -10.174 1.00 72.42 C ATOM 116 O LYS A 8 16.487 -8.099 -10.461 1.00 75.13 O ATOM 117 CB LYS A 8 13.961 -8.847 -12.209 1.00 53.52 C ATOM 118 CG LYS A 8 14.138 -10.352 -12.114 1.00 2.01 C ATOM 119 CD LYS A 8 14.335 -10.978 -13.484 1.00 74.24 C ATOM 120 CE LYS A 8 15.756 -10.782 -13.988 1.00 63.12 C ATOM 121 NZ LYS A 8 16.686 -11.806 -13.436 1.00 44.24 N ATOM 0 H LYS A 8 14.878 -6.338 -11.650 1.00 31.34 H new ATOM 0 HA LYS A 8 13.263 -8.378 -10.231 1.00 10.43 H new ATOM 0 HB2 LYS A 8 12.975 -8.631 -12.620 1.00 53.52 H new ATOM 0 HB3 LYS A 8 14.693 -8.447 -12.911 1.00 53.52 H new ATOM 0 HG2 LYS A 8 14.997 -10.579 -11.482 1.00 2.01 H new ATOM 0 HG3 LYS A 8 13.264 -10.792 -11.634 1.00 2.01 H new ATOM 0 HD2 LYS A 8 14.109 -12.043 -13.434 1.00 74.24 H new ATOM 0 HD3 LYS A 8 13.633 -10.536 -14.191 1.00 74.24 H new ATOM 0 HE2 LYS A 8 15.765 -10.832 -15.077 1.00 63.12 H new ATOM 0 HE3 LYS A 8 16.106 -9.787 -13.712 1.00 63.12 H new ATOM 0 HZ1 LYS A 8 17.625 -11.691 -13.868 1.00 44.24 H new ATOM 0 HZ2 LYS A 8 16.762 -11.687 -12.406 1.00 44.24 H new ATOM 0 HZ3 LYS A 8 16.322 -12.757 -13.649 1.00 44.24 H new ATOM 135 N PRO A 9 15.252 -9.534 -9.240 1.00 53.02 N ATOM 136 CA PRO A 9 16.387 -10.077 -8.488 1.00 72.12 C ATOM 137 C PRO A 9 17.305 -10.928 -9.359 1.00 3.40 C ATOM 138 O PRO A 9 16.895 -11.427 -10.406 1.00 51.21 O ATOM 139 CB PRO A 9 15.720 -10.939 -7.413 1.00 43.00 C ATOM 140 CG PRO A 9 14.402 -11.318 -7.995 1.00 1.14 C ATOM 141 CD PRO A 9 13.976 -10.155 -8.847 1.00 14.44 C ATOM 0 HA PRO A 9 17.025 -9.289 -8.087 1.00 72.12 H new ATOM 0 HB2 PRO A 9 16.320 -11.820 -7.184 1.00 43.00 H new ATOM 0 HB3 PRO A 9 15.597 -10.386 -6.482 1.00 43.00 H new ATOM 0 HG2 PRO A 9 14.485 -12.228 -8.590 1.00 1.14 H new ATOM 0 HG3 PRO A 9 13.671 -11.516 -7.211 1.00 1.14 H new ATOM 0 HD2 PRO A 9 13.404 -10.481 -9.715 1.00 14.44 H new ATOM 0 HD3 PRO A 9 13.345 -9.460 -8.292 1.00 14.44 H new ATOM 149 N GLU A 10 18.549 -11.088 -8.918 1.00 62.43 N ATOM 150 CA GLU A 10 19.001 -10.483 -7.672 1.00 5.45 C ATOM 151 C GLU A 10 19.447 -9.041 -7.898 1.00 3.24 C ATOM 152 O GLU A 10 20.440 -8.787 -8.578 1.00 3.42 O ATOM 153 CB GLU A 10 20.151 -11.295 -7.071 1.00 74.22 C ATOM 154 CG GLU A 10 19.965 -11.616 -5.598 1.00 13.34 C ATOM 155 CD GLU A 10 20.709 -12.867 -5.174 1.00 75.55 C ATOM 156 OE1 GLU A 10 20.423 -13.945 -5.737 1.00 73.31 O ATOM 157 OE2 GLU A 10 21.576 -12.770 -4.281 1.00 54.33 O ATOM 0 H GLU A 10 19.261 -11.632 -9.406 1.00 62.43 H new ATOM 0 HA GLU A 10 18.163 -10.482 -6.974 1.00 5.45 H new ATOM 0 HB2 GLU A 10 20.256 -12.227 -7.627 1.00 74.22 H new ATOM 0 HB3 GLU A 10 21.081 -10.741 -7.199 1.00 74.22 H new ATOM 0 HG2 GLU A 10 20.310 -10.773 -5.000 1.00 13.34 H new ATOM 0 HG3 GLU A 10 18.903 -11.741 -5.389 1.00 13.34 H new ATOM 164 N ASN A 11 18.705 -8.101 -7.322 1.00 14.21 N ATOM 165 CA ASN A 11 19.022 -6.684 -7.461 1.00 70.11 C ATOM 166 C ASN A 11 19.460 -6.362 -8.887 1.00 33.23 C ATOM 167 O ASN A 11 20.634 -6.092 -9.141 1.00 53.44 O ATOM 168 CB ASN A 11 20.123 -6.288 -6.476 1.00 3.33 C ATOM 169 CG ASN A 11 20.006 -4.843 -6.028 1.00 62.51 C ATOM 170 OD1 ASN A 11 18.922 -4.261 -6.050 1.00 33.32 O ATOM 171 ND2 ASN A 11 21.126 -4.258 -5.620 1.00 20.24 N ATOM 0 H ASN A 11 17.880 -8.295 -6.754 1.00 14.21 H new ATOM 0 HA ASN A 11 18.121 -6.112 -7.238 1.00 70.11 H new ATOM 0 HB2 ASN A 11 20.079 -6.941 -5.604 1.00 3.33 H new ATOM 0 HB3 ASN A 11 21.096 -6.444 -6.941 1.00 3.33 H new ATOM 0 HD21 ASN A 11 21.110 -3.287 -5.308 1.00 20.24 H new ATOM 0 HD22 ASN A 11 22.003 -4.780 -5.619 1.00 20.24 H new ATOM 178 N CYS A 12 18.508 -6.393 -9.813 1.00 54.22 N ATOM 179 CA CYS A 12 18.793 -6.104 -11.213 1.00 60.45 C ATOM 180 C CYS A 12 17.714 -5.209 -11.815 1.00 51.13 C ATOM 181 O CYS A 12 16.520 -5.447 -11.630 1.00 42.53 O ATOM 182 CB CYS A 12 18.896 -7.405 -12.013 1.00 4.21 C ATOM 183 SG CYS A 12 20.596 -7.849 -12.494 1.00 5.04 S ATOM 0 H CYS A 12 17.532 -6.616 -9.619 1.00 54.22 H new ATOM 0 HA CYS A 12 19.746 -5.577 -11.262 1.00 60.45 H new ATOM 0 HB2 CYS A 12 18.473 -8.217 -11.422 1.00 4.21 H new ATOM 0 HB3 CYS A 12 18.287 -7.315 -12.912 1.00 4.21 H new ATOM 188 N VAL A 13 18.143 -4.178 -12.537 1.00 33.20 N ATOM 189 CA VAL A 13 17.214 -3.248 -13.168 1.00 2.55 C ATOM 190 C VAL A 13 16.468 -3.911 -14.320 1.00 24.23 C ATOM 191 O VAL A 13 16.891 -4.948 -14.831 1.00 61.41 O ATOM 192 CB VAL A 13 17.944 -1.998 -13.695 1.00 12.21 C ATOM 193 CG1 VAL A 13 18.722 -1.322 -12.577 1.00 25.15 C ATOM 194 CG2 VAL A 13 18.864 -2.366 -14.849 1.00 54.23 C ATOM 0 H VAL A 13 19.127 -3.966 -12.699 1.00 33.20 H new ATOM 0 HA VAL A 13 16.499 -2.947 -12.403 1.00 2.55 H new ATOM 0 HB VAL A 13 17.199 -1.293 -14.064 1.00 12.21 H new ATOM 0 HG11 VAL A 13 19.231 -0.441 -12.969 1.00 25.15 H new ATOM 0 HG12 VAL A 13 18.035 -1.022 -11.785 1.00 25.15 H new ATOM 0 HG13 VAL A 13 19.458 -2.017 -12.174 1.00 25.15 H new ATOM 0 HG21 VAL A 13 19.372 -1.471 -15.209 1.00 54.23 H new ATOM 0 HG22 VAL A 13 19.604 -3.090 -14.508 1.00 54.23 H new ATOM 0 HG23 VAL A 13 18.277 -2.800 -15.658 1.00 54.23 H new ATOM 204 N TYR A 14 15.357 -3.306 -14.724 1.00 61.31 N ATOM 205 CA TYR A 14 14.550 -3.840 -15.815 1.00 44.44 C ATOM 206 C TYR A 14 14.406 -2.816 -16.937 1.00 41.50 C ATOM 207 O TYR A 14 13.542 -1.941 -16.886 1.00 33.31 O ATOM 208 CB TYR A 14 13.169 -4.249 -15.303 1.00 73.50 C ATOM 209 CG TYR A 14 12.826 -5.697 -15.576 1.00 5.30 C ATOM 210 CD1 TYR A 14 13.070 -6.266 -16.819 1.00 63.44 C ATOM 211 CD2 TYR A 14 12.260 -6.495 -14.590 1.00 1.25 C ATOM 212 CE1 TYR A 14 12.758 -7.588 -17.073 1.00 44.12 C ATOM 213 CE2 TYR A 14 11.946 -7.818 -14.834 1.00 3.11 C ATOM 214 CZ TYR A 14 12.197 -8.360 -16.077 1.00 51.44 C ATOM 215 OH TYR A 14 11.886 -9.677 -16.326 1.00 1.12 O ATOM 0 H TYR A 14 14.994 -2.446 -14.313 1.00 61.31 H new ATOM 0 HA TYR A 14 15.058 -4.719 -16.212 1.00 44.44 H new ATOM 0 HB2 TYR A 14 13.121 -4.069 -14.229 1.00 73.50 H new ATOM 0 HB3 TYR A 14 12.416 -3.612 -15.767 1.00 73.50 H new ATOM 0 HD1 TYR A 14 13.511 -5.665 -17.600 1.00 63.44 H new ATOM 0 HD2 TYR A 14 12.062 -6.074 -13.615 1.00 1.25 H new ATOM 0 HE1 TYR A 14 12.952 -8.014 -18.046 1.00 44.12 H new ATOM 0 HE2 TYR A 14 11.506 -8.424 -14.056 1.00 3.11 H new ATOM 0 HH TYR A 14 11.500 -10.080 -15.520 1.00 1.12 H new ATOM 225 N GLU A 15 15.260 -2.932 -17.950 1.00 34.35 N ATOM 226 CA GLU A 15 15.228 -2.017 -19.084 1.00 53.21 C ATOM 227 C GLU A 15 14.212 -2.477 -20.126 1.00 14.53 C ATOM 228 O GLU A 15 14.205 -3.639 -20.533 1.00 45.41 O ATOM 229 CB GLU A 15 16.615 -1.910 -19.721 1.00 72.21 C ATOM 230 CG GLU A 15 17.083 -3.198 -20.378 1.00 44.30 C ATOM 231 CD GLU A 15 18.543 -3.146 -20.787 1.00 73.32 C ATOM 232 OE1 GLU A 15 19.347 -2.549 -20.041 1.00 54.31 O ATOM 233 OE2 GLU A 15 18.881 -3.703 -21.853 1.00 13.24 O ATOM 0 H GLU A 15 15.982 -3.650 -18.008 1.00 34.35 H new ATOM 0 HA GLU A 15 14.928 -1.035 -18.717 1.00 53.21 H new ATOM 0 HB2 GLU A 15 16.603 -1.115 -20.467 1.00 72.21 H new ATOM 0 HB3 GLU A 15 17.335 -1.619 -18.957 1.00 72.21 H new ATOM 0 HG2 GLU A 15 16.932 -4.029 -19.689 1.00 44.30 H new ATOM 0 HG3 GLU A 15 16.470 -3.397 -21.257 1.00 44.30 H new ATOM 240 N CYS A 16 13.353 -1.557 -20.552 1.00 51.52 N ATOM 241 CA CYS A 16 12.331 -1.865 -21.545 1.00 60.41 C ATOM 242 C CYS A 16 12.433 -0.924 -22.741 1.00 53.54 C ATOM 243 O CYS A 16 13.318 -0.072 -22.801 1.00 4.21 O ATOM 244 CB CYS A 16 10.938 -1.766 -20.921 1.00 74.41 C ATOM 245 SG CYS A 16 10.687 -0.284 -19.893 1.00 11.40 S ATOM 0 H CYS A 16 13.345 -0.591 -20.225 1.00 51.52 H new ATOM 0 HA CYS A 16 12.494 -2.885 -21.893 1.00 60.41 H new ATOM 0 HB2 CYS A 16 10.194 -1.773 -21.717 1.00 74.41 H new ATOM 0 HB3 CYS A 16 10.761 -2.652 -20.311 1.00 74.41 H new ATOM 250 N GLY A 17 11.518 -1.084 -23.693 1.00 41.33 N ATOM 251 CA GLY A 17 11.522 -0.241 -24.875 1.00 60.40 C ATOM 252 C GLY A 17 10.892 -0.922 -26.074 1.00 42.11 C ATOM 253 O GLY A 17 9.969 -0.384 -26.687 1.00 65.53 O ATOM 0 H GLY A 17 10.775 -1.782 -23.667 1.00 41.33 H new ATOM 0 HA2 GLY A 17 10.984 0.682 -24.661 1.00 60.40 H new ATOM 0 HA3 GLY A 17 12.548 0.037 -25.116 1.00 60.40 H new ATOM 257 N ILE A 18 11.392 -2.106 -26.410 1.00 62.25 N ATOM 258 CA ILE A 18 10.872 -2.860 -27.545 1.00 5.04 C ATOM 259 C ILE A 18 9.523 -3.488 -27.215 1.00 33.30 C ATOM 260 O ILE A 18 8.553 -3.330 -27.958 1.00 0.14 O ATOM 261 CB ILE A 18 11.850 -3.968 -27.979 1.00 75.32 C ATOM 262 CG1 ILE A 18 13.216 -3.369 -28.320 1.00 74.31 C ATOM 263 CG2 ILE A 18 11.288 -4.732 -29.169 1.00 64.41 C ATOM 264 CD1 ILE A 18 14.260 -4.406 -28.668 1.00 62.33 C ATOM 0 H ILE A 18 12.156 -2.564 -25.913 1.00 62.25 H new ATOM 0 HA ILE A 18 10.750 -2.153 -28.365 1.00 5.04 H new ATOM 0 HB ILE A 18 11.978 -4.665 -27.151 1.00 75.32 H new ATOM 0 HG12 ILE A 18 13.103 -2.683 -29.159 1.00 74.31 H new ATOM 0 HG13 ILE A 18 13.568 -2.781 -27.472 1.00 74.31 H new ATOM 0 HG21 ILE A 18 11.990 -5.512 -29.465 1.00 64.41 H new ATOM 0 HG22 ILE A 18 10.336 -5.186 -28.893 1.00 64.41 H new ATOM 0 HG23 ILE A 18 11.135 -4.046 -30.002 1.00 64.41 H new ATOM 0 HD11 ILE A 18 15.203 -3.910 -28.899 1.00 62.33 H new ATOM 0 HD12 ILE A 18 14.401 -5.078 -27.822 1.00 62.33 H new ATOM 0 HD13 ILE A 18 13.930 -4.978 -29.535 1.00 62.33 H new ATOM 276 N THR A 19 9.466 -4.202 -26.094 1.00 52.45 N ATOM 277 CA THR A 19 8.235 -4.853 -25.665 1.00 60.51 C ATOM 278 C THR A 19 7.407 -3.934 -24.775 1.00 4.24 C ATOM 279 O THR A 19 6.183 -3.886 -24.885 1.00 53.04 O ATOM 280 CB THR A 19 8.528 -6.160 -24.903 1.00 54.04 C ATOM 281 OG1 THR A 19 9.882 -6.163 -24.438 1.00 13.23 O ATOM 282 CG2 THR A 19 8.290 -7.370 -25.794 1.00 34.33 C ATOM 0 H THR A 19 10.258 -4.343 -25.468 1.00 52.45 H new ATOM 0 HA THR A 19 7.669 -5.085 -26.567 1.00 60.51 H new ATOM 0 HB THR A 19 7.852 -6.217 -24.050 1.00 54.04 H new ATOM 0 HG1 THR A 19 10.060 -6.996 -23.953 1.00 13.23 H new ATOM 0 HG21 THR A 19 8.503 -8.281 -25.235 1.00 34.33 H new ATOM 0 HG22 THR A 19 7.251 -7.381 -26.123 1.00 34.33 H new ATOM 0 HG23 THR A 19 8.945 -7.316 -26.663 1.00 34.33 H new ATOM 290 N GLN A 20 8.084 -3.205 -23.893 1.00 23.21 N ATOM 291 CA GLN A 20 7.410 -2.287 -22.983 1.00 52.44 C ATOM 292 C GLN A 20 6.292 -2.995 -22.225 1.00 2.44 C ATOM 293 O GLN A 20 5.149 -2.539 -22.216 1.00 54.42 O ATOM 294 CB GLN A 20 6.842 -1.095 -23.757 1.00 22.05 C ATOM 295 CG GLN A 20 6.661 0.152 -22.906 1.00 34.54 C ATOM 296 CD GLN A 20 5.427 0.945 -23.288 1.00 74.33 C ATOM 297 OE1 GLN A 20 5.506 1.909 -24.050 1.00 11.23 O ATOM 298 NE2 GLN A 20 4.276 0.542 -22.761 1.00 64.31 N ATOM 0 H GLN A 20 9.098 -3.233 -23.790 1.00 23.21 H new ATOM 0 HA GLN A 20 8.143 -1.927 -22.261 1.00 52.44 H new ATOM 0 HB2 GLN A 20 7.506 -0.863 -24.590 1.00 22.05 H new ATOM 0 HB3 GLN A 20 5.880 -1.376 -24.185 1.00 22.05 H new ATOM 0 HG2 GLN A 20 6.593 -0.135 -21.857 1.00 34.54 H new ATOM 0 HG3 GLN A 20 7.542 0.787 -23.006 1.00 34.54 H new ATOM 0 HE21 GLN A 20 4.256 -0.262 -22.134 1.00 64.31 H new ATOM 0 HE22 GLN A 20 3.412 1.037 -22.984 1.00 64.31 H new ATOM 307 N ASP A 21 6.630 -4.111 -21.589 1.00 5.10 N ATOM 308 CA ASP A 21 5.655 -4.882 -20.826 1.00 45.03 C ATOM 309 C ASP A 21 5.707 -4.512 -19.347 1.00 61.03 C ATOM 310 O ASP A 21 5.351 -5.314 -18.483 1.00 52.40 O ATOM 311 CB ASP A 21 5.910 -6.380 -20.999 1.00 64.13 C ATOM 312 CG ASP A 21 4.627 -7.172 -21.150 1.00 74.13 C ATOM 313 OD1 ASP A 21 3.683 -6.658 -21.787 1.00 0.20 O ATOM 314 OD2 ASP A 21 4.566 -8.307 -20.633 1.00 14.34 O ATOM 0 H ASP A 21 7.572 -4.502 -21.587 1.00 5.10 H new ATOM 0 HA ASP A 21 4.662 -4.644 -21.207 1.00 45.03 H new ATOM 0 HB2 ASP A 21 6.537 -6.540 -21.876 1.00 64.13 H new ATOM 0 HB3 ASP A 21 6.465 -6.753 -20.138 1.00 64.13 H new ATOM 319 N CYS A 22 6.154 -3.293 -19.063 1.00 32.43 N ATOM 320 CA CYS A 22 6.254 -2.817 -17.689 1.00 1.34 C ATOM 321 C CYS A 22 4.911 -2.932 -16.974 1.00 11.34 C ATOM 322 O CYS A 22 4.830 -3.455 -15.863 1.00 43.30 O ATOM 323 CB CYS A 22 6.734 -1.364 -17.664 1.00 64.33 C ATOM 324 SG CYS A 22 8.268 -1.073 -18.603 1.00 3.41 S ATOM 0 H CYS A 22 6.453 -2.617 -19.766 1.00 32.43 H new ATOM 0 HA CYS A 22 6.979 -3.442 -17.167 1.00 1.34 H new ATOM 0 HB2 CYS A 22 5.947 -0.726 -18.066 1.00 64.33 H new ATOM 0 HB3 CYS A 22 6.891 -1.062 -16.629 1.00 64.33 H new ATOM 329 N ASN A 23 3.859 -2.439 -17.619 1.00 71.15 N ATOM 330 CA ASN A 23 2.519 -2.486 -17.046 1.00 31.24 C ATOM 331 C ASN A 23 2.134 -3.916 -16.679 1.00 70.33 C ATOM 332 O ASN A 23 1.604 -4.171 -15.598 1.00 11.15 O ATOM 333 CB ASN A 23 1.500 -1.908 -18.029 1.00 53.14 C ATOM 334 CG ASN A 23 0.363 -1.190 -17.328 1.00 53.34 C ATOM 335 OD1 ASN A 23 -0.039 -0.098 -17.732 1.00 32.22 O ATOM 336 ND2 ASN A 23 -0.161 -1.801 -16.272 1.00 73.04 N ATOM 0 H ASN A 23 3.909 -2.002 -18.539 1.00 71.15 H new ATOM 0 HA ASN A 23 2.519 -1.884 -16.137 1.00 31.24 H new ATOM 0 HB2 ASN A 23 2.003 -1.215 -18.704 1.00 53.14 H new ATOM 0 HB3 ASN A 23 1.095 -2.712 -18.643 1.00 53.14 H new ATOM 0 HD21 ASN A 23 -0.928 -1.366 -15.760 1.00 73.04 H new ATOM 0 HD22 ASN A 23 0.204 -2.705 -15.973 1.00 73.04 H new ATOM 343 N LYS A 24 2.405 -4.847 -17.588 1.00 32.22 N ATOM 344 CA LYS A 24 2.089 -6.253 -17.361 1.00 45.34 C ATOM 345 C LYS A 24 2.825 -6.785 -16.136 1.00 1.33 C ATOM 346 O LYS A 24 2.238 -7.464 -15.293 1.00 34.13 O ATOM 347 CB LYS A 24 2.459 -7.084 -18.592 1.00 31.21 C ATOM 348 CG LYS A 24 1.630 -8.348 -18.743 1.00 24.21 C ATOM 349 CD LYS A 24 1.131 -8.521 -20.168 1.00 12.54 C ATOM 350 CE LYS A 24 1.032 -9.989 -20.550 1.00 32.44 C ATOM 351 NZ LYS A 24 -0.124 -10.658 -19.889 1.00 45.31 N ATOM 0 H LYS A 24 2.843 -4.653 -18.489 1.00 32.22 H new ATOM 0 HA LYS A 24 1.017 -6.335 -17.183 1.00 45.34 H new ATOM 0 HB2 LYS A 24 2.337 -6.470 -19.485 1.00 31.21 H new ATOM 0 HB3 LYS A 24 3.513 -7.355 -18.534 1.00 31.21 H new ATOM 0 HG2 LYS A 24 2.229 -9.213 -18.459 1.00 24.21 H new ATOM 0 HG3 LYS A 24 0.780 -8.311 -18.061 1.00 24.21 H new ATOM 0 HD2 LYS A 24 0.153 -8.050 -20.272 1.00 12.54 H new ATOM 0 HD3 LYS A 24 1.805 -8.010 -20.855 1.00 12.54 H new ATOM 0 HE2 LYS A 24 0.932 -10.077 -21.632 1.00 32.44 H new ATOM 0 HE3 LYS A 24 1.954 -10.499 -20.272 1.00 32.44 H new ATOM 0 HZ1 LYS A 24 -0.157 -11.657 -20.175 1.00 45.31 H new ATOM 0 HZ2 LYS A 24 -0.016 -10.597 -18.856 1.00 45.31 H new ATOM 0 HZ3 LYS A 24 -1.007 -10.187 -20.174 1.00 45.31 H new ATOM 365 N LEU A 25 4.113 -6.471 -16.042 1.00 35.03 N ATOM 366 CA LEU A 25 4.929 -6.916 -14.917 1.00 75.45 C ATOM 367 C LEU A 25 4.471 -6.260 -13.619 1.00 1.12 C ATOM 368 O LEU A 25 4.435 -6.899 -12.567 1.00 14.12 O ATOM 369 CB LEU A 25 6.402 -6.596 -15.173 1.00 3.22 C ATOM 370 CG LEU A 25 7.410 -7.307 -14.269 1.00 42.40 C ATOM 371 CD1 LEU A 25 7.342 -8.812 -14.474 1.00 62.01 C ATOM 372 CD2 LEU A 25 8.818 -6.794 -14.533 1.00 42.45 C ATOM 0 H LEU A 25 4.614 -5.910 -16.731 1.00 35.03 H new ATOM 0 HA LEU A 25 4.810 -7.995 -14.818 1.00 75.45 H new ATOM 0 HB2 LEU A 25 6.633 -6.846 -16.208 1.00 3.22 H new ATOM 0 HB3 LEU A 25 6.543 -5.521 -15.066 1.00 3.22 H new ATOM 0 HG LEU A 25 7.155 -7.090 -13.232 1.00 42.40 H new ATOM 0 HD11 LEU A 25 8.066 -9.301 -13.823 1.00 62.01 H new ATOM 0 HD12 LEU A 25 6.340 -9.167 -14.234 1.00 62.01 H new ATOM 0 HD13 LEU A 25 7.571 -9.048 -15.513 1.00 62.01 H new ATOM 0 HD21 LEU A 25 9.522 -7.311 -13.881 1.00 42.45 H new ATOM 0 HD22 LEU A 25 9.084 -6.980 -15.574 1.00 42.45 H new ATOM 0 HD23 LEU A 25 8.858 -5.723 -14.334 1.00 42.45 H new ATOM 384 N CYS A 26 4.121 -4.981 -13.700 1.00 52.31 N ATOM 385 CA CYS A 26 3.664 -4.237 -12.533 1.00 15.05 C ATOM 386 C CYS A 26 2.434 -4.897 -11.914 1.00 42.24 C ATOM 387 O CYS A 26 2.384 -5.136 -10.707 1.00 64.34 O ATOM 388 CB CYS A 26 3.341 -2.792 -12.917 1.00 2.53 C ATOM 389 SG CYS A 26 3.716 -1.575 -11.614 1.00 14.32 S ATOM 0 H CYS A 26 4.145 -4.438 -14.563 1.00 52.31 H new ATOM 0 HA CYS A 26 4.466 -4.239 -11.795 1.00 15.05 H new ATOM 0 HB2 CYS A 26 3.902 -2.532 -13.815 1.00 2.53 H new ATOM 0 HB3 CYS A 26 2.283 -2.722 -13.171 1.00 2.53 H new ATOM 394 N THR A 27 1.443 -5.189 -12.751 1.00 32.14 N ATOM 395 CA THR A 27 0.213 -5.820 -12.288 1.00 24.15 C ATOM 396 C THR A 27 0.478 -7.234 -11.782 1.00 54.30 C ATOM 397 O THR A 27 0.036 -7.606 -10.696 1.00 20.24 O ATOM 398 CB THR A 27 -0.845 -5.876 -13.405 1.00 62.24 C ATOM 399 OG1 THR A 27 -0.276 -6.446 -14.590 1.00 14.11 O ATOM 400 CG2 THR A 27 -1.382 -4.486 -13.712 1.00 60.54 C ATOM 0 H THR A 27 1.468 -4.999 -13.753 1.00 32.14 H new ATOM 0 HA THR A 27 -0.167 -5.209 -11.469 1.00 24.15 H new ATOM 0 HB THR A 27 -1.671 -6.499 -13.063 1.00 62.24 H new ATOM 0 HG1 THR A 27 0.227 -5.759 -15.074 1.00 14.11 H new ATOM 0 HG21 THR A 27 -2.128 -4.551 -14.504 1.00 60.54 H new ATOM 0 HG22 THR A 27 -1.840 -4.067 -12.816 1.00 60.54 H new ATOM 0 HG23 THR A 27 -0.564 -3.843 -14.036 1.00 60.54 H new ATOM 408 N GLU A 28 1.201 -8.016 -12.577 1.00 71.10 N ATOM 409 CA GLU A 28 1.523 -9.390 -12.208 1.00 42.43 C ATOM 410 C GLU A 28 2.291 -9.433 -10.890 1.00 72.22 C ATOM 411 O GLU A 28 2.199 -10.402 -10.138 1.00 35.21 O ATOM 412 CB GLU A 28 2.345 -10.058 -13.312 1.00 43.03 C ATOM 413 CG GLU A 28 3.831 -10.136 -13.002 1.00 73.33 C ATOM 414 CD GLU A 28 4.661 -10.512 -14.214 1.00 75.54 C ATOM 415 OE1 GLU A 28 4.261 -10.152 -15.341 1.00 53.04 O ATOM 416 OE2 GLU A 28 5.709 -11.167 -14.037 1.00 32.15 O ATOM 0 H GLU A 28 1.575 -7.722 -13.480 1.00 71.10 H new ATOM 0 HA GLU A 28 0.587 -9.935 -12.081 1.00 42.43 H new ATOM 0 HB2 GLU A 28 1.964 -11.066 -13.478 1.00 43.03 H new ATOM 0 HB3 GLU A 28 2.205 -9.507 -14.242 1.00 43.03 H new ATOM 0 HG2 GLU A 28 4.169 -9.173 -12.619 1.00 73.33 H new ATOM 0 HG3 GLU A 28 3.996 -10.869 -12.212 1.00 73.33 H new ATOM 423 N ASN A 29 3.049 -8.376 -10.618 1.00 51.14 N ATOM 424 CA ASN A 29 3.834 -8.293 -9.392 1.00 70.21 C ATOM 425 C ASN A 29 2.939 -8.000 -8.192 1.00 32.41 C ATOM 426 O ASN A 29 3.300 -8.284 -7.051 1.00 22.33 O ATOM 427 CB ASN A 29 4.906 -7.209 -9.520 1.00 55.41 C ATOM 428 CG ASN A 29 6.257 -7.774 -9.911 1.00 61.42 C ATOM 429 OD1 ASN A 29 7.191 -7.791 -9.109 1.00 41.15 O ATOM 430 ND2 ASN A 29 6.367 -8.242 -11.149 1.00 52.55 N ATOM 0 H ASN A 29 3.136 -7.565 -11.230 1.00 51.14 H new ATOM 0 HA ASN A 29 4.319 -9.257 -9.235 1.00 70.21 H new ATOM 0 HB2 ASN A 29 4.592 -6.478 -10.265 1.00 55.41 H new ATOM 0 HB3 ASN A 29 4.998 -6.679 -8.572 1.00 55.41 H new ATOM 0 HD21 ASN A 29 7.252 -8.636 -11.469 1.00 52.55 H new ATOM 0 HD22 ASN A 29 5.566 -8.208 -11.780 1.00 52.55 H new ATOM 437 N GLY A 30 1.768 -7.430 -8.459 1.00 35.51 N ATOM 438 CA GLY A 30 0.838 -7.109 -7.391 1.00 65.04 C ATOM 439 C GLY A 30 0.802 -5.626 -7.082 1.00 54.40 C ATOM 440 O GLY A 30 0.334 -5.218 -6.019 1.00 53.24 O ATOM 0 H GLY A 30 1.446 -7.185 -9.395 1.00 35.51 H new ATOM 0 HA2 GLY A 30 -0.161 -7.443 -7.670 1.00 65.04 H new ATOM 0 HA3 GLY A 30 1.118 -7.658 -6.492 1.00 65.04 H new ATOM 444 N ALA A 31 1.298 -4.816 -8.012 1.00 71.21 N ATOM 445 CA ALA A 31 1.319 -3.370 -7.833 1.00 44.25 C ATOM 446 C ALA A 31 0.088 -2.721 -8.458 1.00 24.24 C ATOM 447 O ALA A 31 -0.661 -3.368 -9.189 1.00 2.40 O ATOM 448 CB ALA A 31 2.589 -2.783 -8.433 1.00 13.22 C ATOM 0 H ALA A 31 1.691 -5.137 -8.897 1.00 71.21 H new ATOM 0 HA ALA A 31 1.304 -3.161 -6.763 1.00 44.25 H new ATOM 0 HB1 ALA A 31 2.592 -1.702 -8.292 1.00 13.22 H new ATOM 0 HB2 ALA A 31 3.459 -3.216 -7.938 1.00 13.22 H new ATOM 0 HB3 ALA A 31 2.627 -3.010 -9.498 1.00 13.22 H new ATOM 454 N GLU A 32 -0.114 -1.441 -8.163 1.00 1.21 N ATOM 455 CA GLU A 32 -1.256 -0.706 -8.695 1.00 22.32 C ATOM 456 C GLU A 32 -1.142 -0.545 -10.208 1.00 60.30 C ATOM 457 O GLU A 32 -2.012 -0.988 -10.957 1.00 74.13 O ATOM 458 CB GLU A 32 -1.360 0.668 -8.031 1.00 54.30 C ATOM 459 CG GLU A 32 -2.581 1.462 -8.464 1.00 53.25 C ATOM 460 CD GLU A 32 -2.368 2.960 -8.366 1.00 51.24 C ATOM 461 OE1 GLU A 32 -1.293 3.376 -7.886 1.00 23.41 O ATOM 462 OE2 GLU A 32 -3.276 3.717 -8.769 1.00 61.04 O ATOM 0 H GLU A 32 0.497 -0.892 -7.559 1.00 1.21 H new ATOM 0 HA GLU A 32 -2.158 -1.277 -8.475 1.00 22.32 H new ATOM 0 HB2 GLU A 32 -1.386 0.538 -6.949 1.00 54.30 H new ATOM 0 HB3 GLU A 32 -0.463 1.243 -8.262 1.00 54.30 H new ATOM 0 HG2 GLU A 32 -2.833 1.201 -9.492 1.00 53.25 H new ATOM 0 HG3 GLU A 32 -3.432 1.179 -7.845 1.00 53.25 H new ATOM 469 N SER A 33 -0.063 0.092 -10.650 1.00 4.31 N ATOM 470 CA SER A 33 0.164 0.316 -12.073 1.00 11.42 C ATOM 471 C SER A 33 1.528 0.958 -12.311 1.00 75.35 C ATOM 472 O SER A 33 2.010 1.740 -11.494 1.00 12.13 O ATOM 473 CB SER A 33 -0.939 1.205 -12.653 1.00 24.44 C ATOM 474 OG SER A 33 -1.849 0.446 -13.430 1.00 21.14 O ATOM 0 H SER A 33 0.668 0.462 -10.043 1.00 4.31 H new ATOM 0 HA SER A 33 0.144 -0.651 -12.576 1.00 11.42 H new ATOM 0 HB2 SER A 33 -1.473 1.702 -11.843 1.00 24.44 H new ATOM 0 HB3 SER A 33 -0.494 1.987 -13.269 1.00 24.44 H new ATOM 0 HG SER A 33 -2.213 -0.284 -12.887 1.00 21.14 H new ATOM 480 N GLY A 34 2.144 0.619 -13.440 1.00 5.32 N ATOM 481 CA GLY A 34 3.447 1.170 -13.767 1.00 54.12 C ATOM 482 C GLY A 34 3.624 1.393 -15.256 1.00 22.11 C ATOM 483 O GLY A 34 2.738 1.073 -16.049 1.00 22.33 O ATOM 0 H GLY A 34 1.765 -0.026 -14.133 1.00 5.32 H new ATOM 0 HA2 GLY A 34 3.580 2.116 -13.242 1.00 54.12 H new ATOM 0 HA3 GLY A 34 4.224 0.495 -13.409 1.00 54.12 H new ATOM 487 N TYR A 35 4.771 1.944 -15.637 1.00 52.52 N ATOM 488 CA TYR A 35 5.060 2.214 -17.041 1.00 20.23 C ATOM 489 C TYR A 35 6.556 2.104 -17.319 1.00 50.15 C ATOM 490 O TYR A 35 7.341 1.764 -16.434 1.00 45.41 O ATOM 491 CB TYR A 35 4.558 3.606 -17.428 1.00 64.25 C ATOM 492 CG TYR A 35 4.799 4.654 -16.366 1.00 4.12 C ATOM 493 CD1 TYR A 35 6.083 4.921 -15.904 1.00 54.01 C ATOM 494 CD2 TYR A 35 3.744 5.377 -15.823 1.00 24.33 C ATOM 495 CE1 TYR A 35 6.308 5.877 -14.933 1.00 13.32 C ATOM 496 CE2 TYR A 35 3.960 6.336 -14.852 1.00 63.22 C ATOM 497 CZ TYR A 35 5.243 6.582 -14.410 1.00 44.34 C ATOM 498 OH TYR A 35 5.462 7.536 -13.443 1.00 24.12 O ATOM 0 H TYR A 35 5.516 2.212 -14.994 1.00 52.52 H new ATOM 0 HA TYR A 35 4.541 1.468 -17.643 1.00 20.23 H new ATOM 0 HB2 TYR A 35 5.049 3.916 -18.351 1.00 64.25 H new ATOM 0 HB3 TYR A 35 3.490 3.552 -17.638 1.00 64.25 H new ATOM 0 HD1 TYR A 35 6.919 4.371 -16.311 1.00 54.01 H new ATOM 0 HD2 TYR A 35 2.738 5.186 -16.166 1.00 24.33 H new ATOM 0 HE1 TYR A 35 7.312 6.072 -14.585 1.00 13.32 H new ATOM 0 HE2 TYR A 35 3.129 6.890 -14.441 1.00 63.22 H new ATOM 0 HH TYR A 35 5.856 7.114 -12.651 1.00 24.12 H new ATOM 508 N CYS A 36 6.943 2.395 -18.557 1.00 23.21 N ATOM 509 CA CYS A 36 8.344 2.330 -18.955 1.00 62.13 C ATOM 510 C CYS A 36 9.004 3.702 -18.848 1.00 63.42 C ATOM 511 O CYS A 36 8.790 4.571 -19.692 1.00 11.40 O ATOM 512 CB CYS A 36 8.465 1.804 -20.387 1.00 21.11 C ATOM 513 SG CYS A 36 10.154 1.308 -20.857 1.00 32.13 S ATOM 0 H CYS A 36 6.306 2.678 -19.301 1.00 23.21 H new ATOM 0 HA CYS A 36 8.857 1.646 -18.279 1.00 62.13 H new ATOM 0 HB2 CYS A 36 7.800 0.948 -20.506 1.00 21.11 H new ATOM 0 HB3 CYS A 36 8.119 2.574 -21.076 1.00 21.11 H new ATOM 518 N GLN A 37 9.807 3.886 -17.805 1.00 63.23 N ATOM 519 CA GLN A 37 10.498 5.151 -17.588 1.00 1.40 C ATOM 520 C GLN A 37 11.772 5.227 -18.423 1.00 71.33 C ATOM 521 O GLN A 37 12.866 4.954 -17.930 1.00 21.51 O ATOM 522 CB GLN A 37 10.835 5.325 -16.106 1.00 30.20 C ATOM 523 CG GLN A 37 9.937 6.321 -15.390 1.00 74.43 C ATOM 524 CD GLN A 37 10.378 7.756 -15.594 1.00 42.42 C ATOM 525 OE1 GLN A 37 11.305 8.232 -14.937 1.00 53.45 O ATOM 526 NE2 GLN A 37 9.716 8.456 -16.508 1.00 71.45 N ATOM 0 H GLN A 37 9.995 3.176 -17.098 1.00 63.23 H new ATOM 0 HA GLN A 37 9.833 5.956 -17.900 1.00 1.40 H new ATOM 0 HB2 GLN A 37 10.759 4.358 -15.609 1.00 30.20 H new ATOM 0 HB3 GLN A 37 11.871 5.651 -16.013 1.00 30.20 H new ATOM 0 HG2 GLN A 37 8.914 6.205 -15.748 1.00 74.43 H new ATOM 0 HG3 GLN A 37 9.929 6.096 -14.324 1.00 74.43 H new ATOM 0 HE21 GLN A 37 8.954 8.022 -17.030 1.00 71.45 H new ATOM 0 HE22 GLN A 37 9.969 9.427 -16.688 1.00 71.45 H new ATOM 535 N TRP A 38 11.622 5.598 -19.689 1.00 53.24 N ATOM 536 CA TRP A 38 12.761 5.709 -20.594 1.00 32.05 C ATOM 537 C TRP A 38 13.659 6.876 -20.197 1.00 72.24 C ATOM 538 O TRP A 38 14.788 6.992 -20.673 1.00 35.23 O ATOM 539 CB TRP A 38 12.279 5.886 -22.034 1.00 42.24 C ATOM 540 CG TRP A 38 12.375 4.633 -22.851 1.00 52.10 C ATOM 541 CD1 TRP A 38 12.370 3.349 -22.386 1.00 1.24 C ATOM 542 CD2 TRP A 38 12.491 4.545 -24.275 1.00 43.23 C ATOM 543 NE1 TRP A 38 12.477 2.468 -23.435 1.00 13.41 N ATOM 544 CE2 TRP A 38 12.552 3.177 -24.605 1.00 34.13 C ATOM 545 CE3 TRP A 38 12.548 5.489 -25.304 1.00 63.25 C ATOM 546 CZ2 TRP A 38 12.667 2.732 -25.919 1.00 43.51 C ATOM 547 CZ3 TRP A 38 12.664 5.046 -26.608 1.00 55.04 C ATOM 548 CH2 TRP A 38 12.721 3.678 -26.907 1.00 2.23 C ATOM 0 H TRP A 38 10.723 5.827 -20.113 1.00 53.24 H new ATOM 0 HA TRP A 38 13.341 4.789 -20.524 1.00 32.05 H new ATOM 0 HB2 TRP A 38 11.243 6.226 -22.024 1.00 42.24 H new ATOM 0 HB3 TRP A 38 12.867 6.669 -22.513 1.00 42.24 H new ATOM 0 HD1 TRP A 38 12.293 3.067 -21.346 1.00 1.24 H new ATOM 0 HE1 TRP A 38 12.497 1.451 -23.356 1.00 13.41 H new ATOM 0 HE3 TRP A 38 12.502 6.545 -25.084 1.00 63.25 H new ATOM 0 HZ2 TRP A 38 12.712 1.678 -26.151 1.00 43.51 H new ATOM 0 HZ3 TRP A 38 12.712 5.767 -27.411 1.00 55.04 H new ATOM 0 HH2 TRP A 38 12.809 3.364 -27.937 1.00 2.23 H new ATOM 559 N GLY A 39 13.150 7.739 -19.323 1.00 72.22 N ATOM 560 CA GLY A 39 13.920 8.885 -18.878 1.00 42.44 C ATOM 561 C GLY A 39 13.996 8.982 -17.368 1.00 23.24 C ATOM 562 O GLY A 39 13.196 9.676 -16.742 1.00 21.33 O ATOM 0 H GLY A 39 12.218 7.665 -18.915 1.00 72.22 H new ATOM 0 HA2 GLY A 39 14.929 8.821 -19.286 1.00 42.44 H new ATOM 0 HA3 GLY A 39 13.472 9.796 -19.275 1.00 42.44 H new ATOM 566 N GLY A 40 14.962 8.282 -16.779 1.00 75.31 N ATOM 567 CA GLY A 40 15.120 8.304 -15.337 1.00 30.33 C ATOM 568 C GLY A 40 16.575 8.357 -14.914 1.00 73.20 C ATOM 569 O GLY A 40 17.473 8.384 -15.755 1.00 63.23 O ATOM 0 H GLY A 40 15.637 7.701 -17.275 1.00 75.31 H new ATOM 0 HA2 GLY A 40 14.595 9.168 -14.930 1.00 30.33 H new ATOM 0 HA3 GLY A 40 14.653 7.417 -14.910 1.00 30.33 H new ATOM 573 N LYS A 41 16.809 8.374 -13.606 1.00 71.42 N ATOM 574 CA LYS A 41 18.165 8.425 -13.072 1.00 34.52 C ATOM 575 C LYS A 41 19.001 7.263 -13.598 1.00 71.43 C ATOM 576 O LYS A 41 20.181 7.425 -13.908 1.00 43.23 O ATOM 577 CB LYS A 41 18.133 8.392 -11.542 1.00 43.31 C ATOM 578 CG LYS A 41 19.075 9.392 -10.893 1.00 55.43 C ATOM 579 CD LYS A 41 20.247 8.699 -10.220 1.00 12.13 C ATOM 580 CE LYS A 41 20.870 9.576 -9.144 1.00 70.04 C ATOM 581 NZ LYS A 41 20.312 9.281 -7.796 1.00 21.43 N ATOM 0 H LYS A 41 16.077 8.353 -12.896 1.00 71.42 H new ATOM 0 HA LYS A 41 18.624 9.358 -13.401 1.00 34.52 H new ATOM 0 HB2 LYS A 41 17.116 8.591 -11.204 1.00 43.31 H new ATOM 0 HB3 LYS A 41 18.391 7.389 -11.203 1.00 43.31 H new ATOM 0 HG2 LYS A 41 19.446 10.086 -11.647 1.00 55.43 H new ATOM 0 HG3 LYS A 41 18.529 9.983 -10.157 1.00 55.43 H new ATOM 0 HD2 LYS A 41 19.911 7.761 -9.777 1.00 12.13 H new ATOM 0 HD3 LYS A 41 21.000 8.447 -10.967 1.00 12.13 H new ATOM 0 HE2 LYS A 41 21.949 9.424 -9.131 1.00 70.04 H new ATOM 0 HE3 LYS A 41 20.699 10.625 -9.386 1.00 70.04 H new ATOM 0 HZ1 LYS A 41 20.762 9.899 -7.091 1.00 21.43 H new ATOM 0 HZ2 LYS A 41 19.286 9.450 -7.800 1.00 21.43 H new ATOM 0 HZ3 LYS A 41 20.498 8.287 -7.553 1.00 21.43 H new ATOM 595 N TYR A 42 18.382 6.092 -13.698 1.00 72.40 N ATOM 596 CA TYR A 42 19.070 4.902 -14.186 1.00 52.54 C ATOM 597 C TYR A 42 18.844 4.719 -15.684 1.00 31.20 C ATOM 598 O TYR A 42 18.912 3.605 -16.202 1.00 23.02 O ATOM 599 CB TYR A 42 18.588 3.663 -13.431 1.00 21.31 C ATOM 600 CG TYR A 42 18.980 3.653 -11.971 1.00 10.24 C ATOM 601 CD1 TYR A 42 20.316 3.655 -11.589 1.00 51.12 C ATOM 602 CD2 TYR A 42 18.014 3.643 -10.972 1.00 53.40 C ATOM 603 CE1 TYR A 42 20.678 3.646 -10.256 1.00 62.32 C ATOM 604 CE2 TYR A 42 18.367 3.635 -9.636 1.00 52.54 C ATOM 605 CZ TYR A 42 19.700 3.636 -9.284 1.00 2.14 C ATOM 606 OH TYR A 42 20.057 3.628 -7.955 1.00 1.23 O ATOM 0 H TYR A 42 17.405 5.941 -13.448 1.00 72.40 H new ATOM 0 HA TYR A 42 20.138 5.033 -14.011 1.00 52.54 H new ATOM 0 HB2 TYR A 42 17.502 3.601 -13.507 1.00 21.31 H new ATOM 0 HB3 TYR A 42 18.993 2.773 -13.913 1.00 21.31 H new ATOM 0 HD1 TYR A 42 21.085 3.664 -12.348 1.00 51.12 H new ATOM 0 HD2 TYR A 42 16.969 3.641 -11.245 1.00 53.40 H new ATOM 0 HE1 TYR A 42 21.721 3.647 -9.977 1.00 62.32 H new ATOM 0 HE2 TYR A 42 17.603 3.628 -8.872 1.00 52.54 H new ATOM 0 HH TYR A 42 19.250 3.623 -7.399 1.00 1.23 H new ATOM 616 N GLY A 43 18.575 5.822 -16.375 1.00 53.51 N ATOM 617 CA GLY A 43 18.343 5.763 -17.806 1.00 42.45 C ATOM 618 C GLY A 43 16.934 5.322 -18.148 1.00 50.12 C ATOM 619 O GLY A 43 15.961 5.900 -17.666 1.00 3.42 O ATOM 0 H GLY A 43 18.514 6.756 -15.969 1.00 53.51 H new ATOM 0 HA2 GLY A 43 18.529 6.745 -18.242 1.00 42.45 H new ATOM 0 HA3 GLY A 43 19.056 5.074 -18.258 1.00 42.45 H new ATOM 623 N ASN A 44 16.824 4.295 -18.985 1.00 34.05 N ATOM 624 CA ASN A 44 15.522 3.778 -19.392 1.00 63.14 C ATOM 625 C ASN A 44 15.159 2.529 -18.595 1.00 60.10 C ATOM 626 O ASN A 44 15.502 1.412 -18.981 1.00 70.03 O ATOM 627 CB ASN A 44 15.523 3.459 -20.889 1.00 23.12 C ATOM 628 CG ASN A 44 16.747 2.669 -21.311 1.00 20.33 C ATOM 629 OD1 ASN A 44 17.870 3.171 -21.264 1.00 22.40 O ATOM 630 ND2 ASN A 44 16.534 1.425 -21.726 1.00 1.41 N ATOM 0 H ASN A 44 17.620 3.805 -19.394 1.00 34.05 H new ATOM 0 HA ASN A 44 14.775 4.545 -19.191 1.00 63.14 H new ATOM 0 HB2 ASN A 44 14.625 2.893 -21.138 1.00 23.12 H new ATOM 0 HB3 ASN A 44 15.481 4.389 -21.456 1.00 23.12 H new ATOM 0 HD21 ASN A 44 17.319 0.845 -22.022 1.00 1.41 H new ATOM 0 HD22 ASN A 44 15.586 1.050 -21.748 1.00 1.41 H new ATOM 637 N ALA A 45 14.462 2.727 -17.481 1.00 23.22 N ATOM 638 CA ALA A 45 14.050 1.617 -16.630 1.00 51.14 C ATOM 639 C ALA A 45 12.536 1.596 -16.451 1.00 12.44 C ATOM 640 O ALA A 45 11.867 2.617 -16.615 1.00 74.14 O ATOM 641 CB ALA A 45 14.743 1.702 -15.278 1.00 52.55 C ATOM 0 H ALA A 45 14.171 3.646 -17.147 1.00 23.22 H new ATOM 0 HA ALA A 45 14.345 0.688 -17.118 1.00 51.14 H new ATOM 0 HB1 ALA A 45 14.426 0.867 -14.653 1.00 52.55 H new ATOM 0 HB2 ALA A 45 15.823 1.660 -15.419 1.00 52.55 H new ATOM 0 HB3 ALA A 45 14.477 2.640 -14.791 1.00 52.55 H new ATOM 647 N CYS A 46 12.001 0.428 -16.112 1.00 72.05 N ATOM 648 CA CYS A 46 10.565 0.273 -15.911 1.00 41.34 C ATOM 649 C CYS A 46 10.153 0.772 -14.529 1.00 73.14 C ATOM 650 O CYS A 46 10.610 0.255 -13.510 1.00 73.10 O ATOM 651 CB CYS A 46 10.161 -1.193 -16.078 1.00 54.35 C ATOM 652 SG CYS A 46 9.889 -1.697 -17.808 1.00 10.41 S ATOM 0 H CYS A 46 12.541 -0.426 -15.971 1.00 72.05 H new ATOM 0 HA CYS A 46 10.051 0.872 -16.663 1.00 41.34 H new ATOM 0 HB2 CYS A 46 10.937 -1.824 -15.645 1.00 54.35 H new ATOM 0 HB3 CYS A 46 9.248 -1.374 -15.510 1.00 54.35 H new ATOM 657 N TRP A 47 9.287 1.778 -14.504 1.00 54.32 N ATOM 658 CA TRP A 47 8.812 2.347 -13.248 1.00 21.24 C ATOM 659 C TRP A 47 7.466 1.750 -12.854 1.00 74.41 C ATOM 660 O TRP A 47 6.666 1.377 -13.713 1.00 32.31 O ATOM 661 CB TRP A 47 8.695 3.867 -13.364 1.00 40.40 C ATOM 662 CG TRP A 47 8.064 4.508 -12.165 1.00 5.22 C ATOM 663 CD1 TRP A 47 6.729 4.643 -11.915 1.00 34.11 C ATOM 664 CD2 TRP A 47 8.744 5.103 -11.054 1.00 24.31 C ATOM 665 NE1 TRP A 47 6.537 5.285 -10.716 1.00 2.55 N ATOM 666 CE2 TRP A 47 7.758 5.577 -10.167 1.00 40.33 C ATOM 667 CE3 TRP A 47 10.090 5.279 -10.721 1.00 21.52 C ATOM 668 CZ2 TRP A 47 8.077 6.216 -8.972 1.00 42.10 C ATOM 669 CZ3 TRP A 47 10.405 5.913 -9.534 1.00 42.14 C ATOM 670 CH2 TRP A 47 9.403 6.375 -8.671 1.00 73.12 C ATOM 0 H TRP A 47 8.899 2.217 -15.339 1.00 54.32 H new ATOM 0 HA TRP A 47 9.537 2.104 -12.471 1.00 21.24 H new ATOM 0 HB2 TRP A 47 9.688 4.290 -13.513 1.00 40.40 H new ATOM 0 HB3 TRP A 47 8.108 4.112 -14.249 1.00 40.40 H new ATOM 0 HD1 TRP A 47 5.939 4.296 -12.565 1.00 34.11 H new ATOM 0 HE1 TRP A 47 5.632 5.508 -10.301 1.00 2.55 H new ATOM 0 HE3 TRP A 47 10.870 4.926 -11.379 1.00 21.52 H new ATOM 0 HZ2 TRP A 47 7.306 6.574 -8.306 1.00 42.10 H new ATOM 0 HZ3 TRP A 47 11.442 6.055 -9.267 1.00 42.14 H new ATOM 0 HH2 TRP A 47 9.682 6.866 -7.750 1.00 73.12 H new ATOM 681 N CYS A 48 7.220 1.661 -11.551 1.00 44.41 N ATOM 682 CA CYS A 48 5.970 1.109 -11.043 1.00 44.13 C ATOM 683 C CYS A 48 5.406 1.979 -9.924 1.00 3.23 C ATOM 684 O CYS A 48 6.155 2.608 -9.175 1.00 63.41 O ATOM 685 CB CYS A 48 6.188 -0.317 -10.535 1.00 70.52 C ATOM 686 SG CYS A 48 5.814 -1.610 -11.764 1.00 10.53 S ATOM 0 H CYS A 48 7.871 1.965 -10.827 1.00 44.41 H new ATOM 0 HA CYS A 48 5.251 1.090 -11.862 1.00 44.13 H new ATOM 0 HB2 CYS A 48 7.225 -0.423 -10.216 1.00 70.52 H new ATOM 0 HB3 CYS A 48 5.566 -0.477 -9.655 1.00 70.52 H new ATOM 691 N ILE A 49 4.082 2.010 -9.816 1.00 24.12 N ATOM 692 CA ILE A 49 3.418 2.801 -8.787 1.00 44.14 C ATOM 693 C ILE A 49 2.618 1.912 -7.841 1.00 42.42 C ATOM 694 O ILE A 49 1.800 1.102 -8.276 1.00 31.31 O ATOM 695 CB ILE A 49 2.477 3.852 -9.405 1.00 64.05 C ATOM 696 CG1 ILE A 49 3.243 4.737 -10.391 1.00 40.11 C ATOM 697 CG2 ILE A 49 1.837 4.696 -8.314 1.00 53.41 C ATOM 698 CD1 ILE A 49 2.350 5.449 -11.383 1.00 43.03 C ATOM 0 H ILE A 49 3.448 1.497 -10.428 1.00 24.12 H new ATOM 0 HA ILE A 49 4.201 3.311 -8.227 1.00 44.14 H new ATOM 0 HB ILE A 49 1.686 3.335 -9.949 1.00 64.05 H new ATOM 0 HG12 ILE A 49 3.816 5.478 -9.833 1.00 40.11 H new ATOM 0 HG13 ILE A 49 3.961 4.124 -10.936 1.00 40.11 H new ATOM 0 HG21 ILE A 49 1.175 5.434 -8.766 1.00 53.41 H new ATOM 0 HG22 ILE A 49 1.262 4.053 -7.647 1.00 53.41 H new ATOM 0 HG23 ILE A 49 2.615 5.206 -7.745 1.00 53.41 H new ATOM 0 HD11 ILE A 49 2.960 6.058 -12.050 1.00 43.03 H new ATOM 0 HD12 ILE A 49 1.796 4.714 -11.967 1.00 43.03 H new ATOM 0 HD13 ILE A 49 1.649 6.089 -10.847 1.00 43.03 H new ATOM 710 N LYS A 50 2.859 2.071 -6.544 1.00 55.31 N ATOM 711 CA LYS A 50 2.159 1.286 -5.534 1.00 52.40 C ATOM 712 C LYS A 50 2.529 -0.190 -5.639 1.00 54.35 C ATOM 713 O LYS A 50 1.770 -0.993 -6.184 1.00 32.03 O ATOM 714 CB LYS A 50 0.645 1.456 -5.685 1.00 24.11 C ATOM 715 CG LYS A 50 0.018 2.312 -4.598 1.00 71.14 C ATOM 716 CD LYS A 50 -1.355 1.794 -4.203 1.00 62.33 C ATOM 717 CE LYS A 50 -2.462 2.700 -4.719 1.00 73.43 C ATOM 718 NZ LYS A 50 -3.703 2.577 -3.905 1.00 53.14 N ATOM 0 H LYS A 50 3.534 2.737 -6.167 1.00 55.31 H new ATOM 0 HA LYS A 50 2.463 1.649 -4.552 1.00 52.40 H new ATOM 0 HB2 LYS A 50 0.433 1.904 -6.656 1.00 24.11 H new ATOM 0 HB3 LYS A 50 0.175 0.473 -5.678 1.00 24.11 H new ATOM 0 HG2 LYS A 50 0.668 2.325 -3.723 1.00 71.14 H new ATOM 0 HG3 LYS A 50 -0.067 3.341 -4.948 1.00 71.14 H new ATOM 0 HD2 LYS A 50 -1.493 0.788 -4.598 1.00 62.33 H new ATOM 0 HD3 LYS A 50 -1.419 1.721 -3.117 1.00 62.33 H new ATOM 0 HE2 LYS A 50 -2.120 3.735 -4.706 1.00 73.43 H new ATOM 0 HE3 LYS A 50 -2.682 2.450 -5.757 1.00 73.43 H new ATOM 0 HZ1 LYS A 50 -4.434 3.210 -4.288 1.00 53.14 H new ATOM 0 HZ2 LYS A 50 -4.044 1.595 -3.938 1.00 53.14 H new ATOM 0 HZ3 LYS A 50 -3.499 2.840 -2.920 1.00 53.14 H new ATOM 732 N LEU A 51 3.697 -0.541 -5.115 1.00 5.11 N ATOM 733 CA LEU A 51 4.167 -1.922 -5.149 1.00 3.43 C ATOM 734 C LEU A 51 4.223 -2.512 -3.743 1.00 63.24 C ATOM 735 O LEU A 51 4.572 -1.839 -2.774 1.00 5.42 O ATOM 736 CB LEU A 51 5.549 -1.995 -5.800 1.00 43.05 C ATOM 737 CG LEU A 51 5.727 -3.065 -6.878 1.00 22.31 C ATOM 738 CD1 LEU A 51 6.259 -2.447 -8.161 1.00 64.45 C ATOM 739 CD2 LEU A 51 6.657 -4.166 -6.388 1.00 2.30 C ATOM 0 H LEU A 51 4.337 0.111 -4.661 1.00 5.11 H new ATOM 0 HA LEU A 51 3.462 -2.506 -5.741 1.00 3.43 H new ATOM 0 HB2 LEU A 51 5.773 -1.023 -6.240 1.00 43.05 H new ATOM 0 HB3 LEU A 51 6.288 -2.169 -5.018 1.00 43.05 H new ATOM 0 HG LEU A 51 4.753 -3.507 -7.089 1.00 22.31 H new ATOM 0 HD11 LEU A 51 6.379 -3.224 -8.916 1.00 64.45 H new ATOM 0 HD12 LEU A 51 5.556 -1.696 -8.522 1.00 64.45 H new ATOM 0 HD13 LEU A 51 7.223 -1.978 -7.966 1.00 64.45 H new ATOM 0 HD21 LEU A 51 6.772 -4.919 -7.168 1.00 2.30 H new ATOM 0 HD22 LEU A 51 7.631 -3.740 -6.148 1.00 2.30 H new ATOM 0 HD23 LEU A 51 6.234 -4.629 -5.496 1.00 2.30 H new ATOM 751 N PRO A 52 3.873 -3.802 -3.629 1.00 45.00 N ATOM 752 CA PRO A 52 3.878 -4.513 -2.347 1.00 4.20 C ATOM 753 C PRO A 52 5.290 -4.747 -1.820 1.00 32.44 C ATOM 754 O PRO A 52 6.237 -4.886 -2.594 1.00 31.21 O ATOM 755 CB PRO A 52 3.203 -5.846 -2.678 1.00 12.11 C ATOM 756 CG PRO A 52 3.444 -6.041 -4.135 1.00 20.40 C ATOM 757 CD PRO A 52 3.447 -4.666 -4.743 1.00 14.15 C ATOM 0 HA PRO A 52 3.373 -3.947 -1.565 1.00 4.20 H new ATOM 0 HB2 PRO A 52 3.629 -6.661 -2.094 1.00 12.11 H new ATOM 0 HB3 PRO A 52 2.137 -5.816 -2.454 1.00 12.11 H new ATOM 0 HG2 PRO A 52 4.394 -6.546 -4.309 1.00 20.40 H new ATOM 0 HG3 PRO A 52 2.666 -6.662 -4.579 1.00 20.40 H new ATOM 0 HD2 PRO A 52 4.134 -4.601 -5.587 1.00 14.15 H new ATOM 0 HD3 PRO A 52 2.460 -4.388 -5.113 1.00 14.15 H new ATOM 765 N ASP A 53 5.423 -4.791 -0.499 1.00 1.23 N ATOM 766 CA ASP A 53 6.719 -5.010 0.132 1.00 24.42 C ATOM 767 C ASP A 53 7.331 -6.330 -0.328 1.00 44.33 C ATOM 768 O ASP A 53 8.552 -6.460 -0.422 1.00 52.14 O ATOM 769 CB ASP A 53 6.577 -5.004 1.655 1.00 10.01 C ATOM 770 CG ASP A 53 7.305 -3.841 2.300 1.00 53.33 C ATOM 771 OD1 ASP A 53 8.554 -3.845 2.295 1.00 73.45 O ATOM 772 OD2 ASP A 53 6.625 -2.925 2.809 1.00 62.14 O ATOM 0 H ASP A 53 4.649 -4.678 0.156 1.00 1.23 H new ATOM 0 HA ASP A 53 7.382 -4.198 -0.167 1.00 24.42 H new ATOM 0 HB2 ASP A 53 5.520 -4.958 1.918 1.00 10.01 H new ATOM 0 HB3 ASP A 53 6.965 -5.940 2.057 1.00 10.01 H new ATOM 777 N SER A 54 6.475 -7.306 -0.613 1.00 4.20 N ATOM 778 CA SER A 54 6.932 -8.617 -1.059 1.00 11.01 C ATOM 779 C SER A 54 7.907 -8.485 -2.225 1.00 23.14 C ATOM 780 O SER A 54 8.787 -9.326 -2.412 1.00 33.13 O ATOM 781 CB SER A 54 5.740 -9.482 -1.472 1.00 72.21 C ATOM 782 OG SER A 54 5.394 -10.397 -0.447 1.00 23.51 O ATOM 0 H SER A 54 5.462 -7.214 -0.543 1.00 4.20 H new ATOM 0 HA SER A 54 7.450 -9.096 -0.228 1.00 11.01 H new ATOM 0 HB2 SER A 54 4.885 -8.845 -1.698 1.00 72.21 H new ATOM 0 HB3 SER A 54 5.981 -10.027 -2.384 1.00 72.21 H new ATOM 0 HG SER A 54 4.628 -10.937 -0.735 1.00 23.51 H new ATOM 788 N VAL A 55 7.745 -7.422 -3.007 1.00 32.44 N ATOM 789 CA VAL A 55 8.611 -7.178 -4.154 1.00 74.10 C ATOM 790 C VAL A 55 9.301 -5.823 -4.043 1.00 75.12 C ATOM 791 O VAL A 55 8.826 -4.813 -4.563 1.00 43.21 O ATOM 792 CB VAL A 55 7.821 -7.233 -5.475 1.00 74.11 C ATOM 793 CG1 VAL A 55 8.722 -6.889 -6.651 1.00 53.21 C ATOM 794 CG2 VAL A 55 7.189 -8.604 -5.661 1.00 34.33 C ATOM 0 H VAL A 55 7.022 -6.716 -2.867 1.00 32.44 H new ATOM 0 HA VAL A 55 9.364 -7.967 -4.156 1.00 74.10 H new ATOM 0 HB VAL A 55 7.022 -6.493 -5.431 1.00 74.11 H new ATOM 0 HG11 VAL A 55 8.146 -6.933 -7.576 1.00 53.21 H new ATOM 0 HG12 VAL A 55 9.123 -5.884 -6.521 1.00 53.21 H new ATOM 0 HG13 VAL A 55 9.544 -7.603 -6.701 1.00 53.21 H new ATOM 0 HG21 VAL A 55 6.635 -8.625 -6.599 1.00 34.33 H new ATOM 0 HG22 VAL A 55 7.970 -9.364 -5.684 1.00 34.33 H new ATOM 0 HG23 VAL A 55 6.509 -8.807 -4.833 1.00 34.33 H new ATOM 804 N PRO A 56 10.448 -5.799 -3.350 1.00 4.42 N ATOM 805 CA PRO A 56 11.230 -4.574 -3.155 1.00 54.51 C ATOM 806 C PRO A 56 11.885 -4.092 -4.445 1.00 74.53 C ATOM 807 O PRO A 56 12.558 -4.860 -5.134 1.00 1.32 O ATOM 808 CB PRO A 56 12.295 -4.990 -2.138 1.00 33.04 C ATOM 809 CG PRO A 56 12.436 -6.462 -2.318 1.00 43.15 C ATOM 810 CD PRO A 56 11.072 -6.965 -2.703 1.00 24.00 C ATOM 0 HA PRO A 56 10.608 -3.742 -2.825 1.00 54.51 H new ATOM 0 HB2 PRO A 56 13.239 -4.477 -2.321 1.00 33.04 H new ATOM 0 HB3 PRO A 56 11.989 -4.743 -1.121 1.00 33.04 H new ATOM 0 HG2 PRO A 56 13.169 -6.692 -3.091 1.00 43.15 H new ATOM 0 HG3 PRO A 56 12.782 -6.936 -1.399 1.00 43.15 H new ATOM 0 HD2 PRO A 56 11.134 -7.816 -3.382 1.00 24.00 H new ATOM 0 HD3 PRO A 56 10.504 -7.293 -1.832 1.00 24.00 H new ATOM 818 N ILE A 57 11.683 -2.819 -4.766 1.00 63.05 N ATOM 819 CA ILE A 57 12.256 -2.236 -5.973 1.00 62.35 C ATOM 820 C ILE A 57 13.769 -2.426 -6.011 1.00 32.00 C ATOM 821 O ILE A 57 14.353 -3.017 -5.102 1.00 42.45 O ATOM 822 CB ILE A 57 11.936 -0.734 -6.080 1.00 52.30 C ATOM 823 CG1 ILE A 57 12.277 -0.023 -4.769 1.00 4.12 C ATOM 824 CG2 ILE A 57 10.470 -0.528 -6.434 1.00 25.40 C ATOM 825 CD1 ILE A 57 13.759 0.216 -4.579 1.00 60.12 C ATOM 0 H ILE A 57 11.127 -2.171 -4.207 1.00 63.05 H new ATOM 0 HA ILE A 57 11.805 -2.756 -6.818 1.00 62.35 H new ATOM 0 HB ILE A 57 12.546 -0.304 -6.875 1.00 52.30 H new ATOM 0 HG12 ILE A 57 11.756 0.934 -4.738 1.00 4.12 H new ATOM 0 HG13 ILE A 57 11.903 -0.617 -3.935 1.00 4.12 H new ATOM 0 HG21 ILE A 57 10.260 0.539 -6.506 1.00 25.40 H new ATOM 0 HG22 ILE A 57 10.256 -1.005 -7.390 1.00 25.40 H new ATOM 0 HG23 ILE A 57 9.843 -0.970 -5.660 1.00 25.40 H new ATOM 0 HD11 ILE A 57 13.927 0.724 -3.629 1.00 60.12 H new ATOM 0 HD12 ILE A 57 14.284 -0.739 -4.578 1.00 60.12 H new ATOM 0 HD13 ILE A 57 14.135 0.836 -5.393 1.00 60.12 H new ATOM 837 N ARG A 58 14.397 -1.920 -7.067 1.00 1.21 N ATOM 838 CA ARG A 58 15.842 -2.033 -7.223 1.00 3.23 C ATOM 839 C ARG A 58 16.569 -1.235 -6.144 1.00 44.35 C ATOM 840 O ARG A 58 16.449 -0.011 -6.075 1.00 60.52 O ATOM 841 CB ARG A 58 16.267 -1.543 -8.608 1.00 61.24 C ATOM 842 CG ARG A 58 17.293 -2.439 -9.283 1.00 31.21 C ATOM 843 CD ARG A 58 18.679 -2.244 -8.690 1.00 3.35 C ATOM 844 NE ARG A 58 19.707 -2.941 -9.458 1.00 31.42 N ATOM 845 CZ ARG A 58 20.977 -3.027 -9.078 1.00 40.12 C ATOM 846 NH1 ARG A 58 21.374 -2.462 -7.946 1.00 53.23 N ATOM 847 NH2 ARG A 58 21.853 -3.679 -9.831 1.00 63.34 N ATOM 0 H ARG A 58 13.928 -1.428 -7.827 1.00 1.21 H new ATOM 0 HA ARG A 58 16.112 -3.084 -7.118 1.00 3.23 H new ATOM 0 HB2 ARG A 58 15.385 -1.471 -9.245 1.00 61.24 H new ATOM 0 HB3 ARG A 58 16.678 -0.538 -8.518 1.00 61.24 H new ATOM 0 HG2 ARG A 58 16.994 -3.482 -9.176 1.00 31.21 H new ATOM 0 HG3 ARG A 58 17.319 -2.223 -10.351 1.00 31.21 H new ATOM 0 HD2 ARG A 58 18.912 -1.180 -8.655 1.00 3.35 H new ATOM 0 HD3 ARG A 58 18.687 -2.606 -7.662 1.00 3.35 H new ATOM 0 HE ARG A 58 19.435 -3.386 -10.334 1.00 31.42 H new ATOM 0 HH11 ARG A 58 20.704 -1.960 -7.364 1.00 53.23 H new ATOM 0 HH12 ARG A 58 22.350 -2.530 -7.657 1.00 53.23 H new ATOM 0 HH21 ARG A 58 21.552 -4.115 -10.703 1.00 63.34 H new ATOM 0 HH22 ARG A 58 22.828 -3.745 -9.538 1.00 63.34 H new ATOM 861 N VAL A 59 17.324 -1.936 -5.304 1.00 40.22 N ATOM 862 CA VAL A 59 18.071 -1.293 -4.230 1.00 21.24 C ATOM 863 C VAL A 59 19.490 -0.953 -4.673 1.00 75.42 C ATOM 864 O VAL A 59 20.038 -1.554 -5.597 1.00 63.22 O ATOM 865 CB VAL A 59 18.137 -2.189 -2.978 1.00 41.03 C ATOM 866 CG1 VAL A 59 16.774 -2.273 -2.309 1.00 12.31 C ATOM 867 CG2 VAL A 59 18.648 -3.575 -3.342 1.00 74.01 C ATOM 0 H VAL A 59 17.434 -2.949 -5.347 1.00 40.22 H new ATOM 0 HA VAL A 59 17.541 -0.373 -3.983 1.00 21.24 H new ATOM 0 HB VAL A 59 18.835 -1.743 -2.270 1.00 41.03 H new ATOM 0 HG11 VAL A 59 16.840 -2.910 -1.427 1.00 12.31 H new ATOM 0 HG12 VAL A 59 16.452 -1.275 -2.012 1.00 12.31 H new ATOM 0 HG13 VAL A 59 16.051 -2.695 -3.007 1.00 12.31 H new ATOM 0 HG21 VAL A 59 18.688 -4.195 -2.446 1.00 74.01 H new ATOM 0 HG22 VAL A 59 17.976 -4.031 -4.069 1.00 74.01 H new ATOM 0 HG23 VAL A 59 19.646 -3.493 -3.772 1.00 74.01 H new ATOM 877 N PRO A 60 20.100 0.033 -4.000 1.00 13.21 N ATOM 878 CA PRO A 60 21.463 0.475 -4.306 1.00 44.13 C ATOM 879 C PRO A 60 22.510 -0.566 -3.924 1.00 11.03 C ATOM 880 O PRO A 60 22.836 -0.730 -2.749 1.00 1.32 O ATOM 881 CB PRO A 60 21.627 1.736 -3.455 1.00 4.35 C ATOM 882 CG PRO A 60 20.672 1.558 -2.326 1.00 30.35 C ATOM 883 CD PRO A 60 19.506 0.793 -2.887 1.00 75.12 C ATOM 0 HA PRO A 60 21.607 0.643 -5.373 1.00 44.13 H new ATOM 0 HB2 PRO A 60 22.651 1.840 -3.095 1.00 4.35 H new ATOM 0 HB3 PRO A 60 21.398 2.634 -4.029 1.00 4.35 H new ATOM 0 HG2 PRO A 60 21.137 1.014 -1.504 1.00 30.35 H new ATOM 0 HG3 PRO A 60 20.352 2.522 -1.930 1.00 30.35 H new ATOM 0 HD2 PRO A 60 19.062 0.133 -2.142 1.00 75.12 H new ATOM 0 HD3 PRO A 60 18.716 1.460 -3.232 1.00 75.12 H new ATOM 891 N GLY A 61 23.034 -1.268 -4.924 1.00 55.13 N ATOM 892 CA GLY A 61 24.038 -2.284 -4.671 1.00 61.24 C ATOM 893 C GLY A 61 24.421 -3.045 -5.925 1.00 62.31 C ATOM 894 O GLY A 61 24.248 -2.550 -7.039 1.00 35.21 O ATOM 0 H GLY A 61 22.781 -1.151 -5.905 1.00 55.13 H new ATOM 0 HA2 GLY A 61 24.927 -1.815 -4.249 1.00 61.24 H new ATOM 0 HA3 GLY A 61 23.662 -2.984 -3.925 1.00 61.24 H new ATOM 898 N LYS A 62 24.946 -4.253 -5.745 1.00 51.31 N ATOM 899 CA LYS A 62 25.356 -5.085 -6.870 1.00 52.31 C ATOM 900 C LYS A 62 24.227 -6.019 -7.296 1.00 4.24 C ATOM 901 O LYS A 62 23.256 -6.209 -6.563 1.00 72.13 O ATOM 902 CB LYS A 62 26.597 -5.901 -6.502 1.00 35.34 C ATOM 903 CG LYS A 62 27.834 -5.518 -7.294 1.00 5.44 C ATOM 904 CD LYS A 62 28.879 -6.621 -7.265 1.00 52.12 C ATOM 905 CE LYS A 62 28.448 -7.818 -8.099 1.00 13.03 C ATOM 906 NZ LYS A 62 29.470 -8.180 -9.120 1.00 15.13 N ATOM 0 H LYS A 62 25.097 -4.677 -4.830 1.00 51.31 H new ATOM 0 HA LYS A 62 25.596 -4.429 -7.707 1.00 52.31 H new ATOM 0 HB2 LYS A 62 26.803 -5.774 -5.439 1.00 35.34 H new ATOM 0 HB3 LYS A 62 26.387 -6.958 -6.662 1.00 35.34 H new ATOM 0 HG2 LYS A 62 27.555 -5.307 -8.326 1.00 5.44 H new ATOM 0 HG3 LYS A 62 28.260 -4.602 -6.885 1.00 5.44 H new ATOM 0 HD2 LYS A 62 29.827 -6.236 -7.641 1.00 52.12 H new ATOM 0 HD3 LYS A 62 29.049 -6.936 -6.235 1.00 52.12 H new ATOM 0 HE2 LYS A 62 28.270 -8.671 -7.445 1.00 13.03 H new ATOM 0 HE3 LYS A 62 27.503 -7.594 -8.594 1.00 13.03 H new ATOM 0 HZ1 LYS A 62 29.139 -9.000 -9.667 1.00 15.13 H new ATOM 0 HZ2 LYS A 62 29.621 -7.375 -9.760 1.00 15.13 H new ATOM 0 HZ3 LYS A 62 30.365 -8.419 -8.646 1.00 15.13 H new ATOM 920 N CYS A 63 24.363 -6.600 -8.483 1.00 32.44 N ATOM 921 CA CYS A 63 23.356 -7.516 -9.006 1.00 13.35 C ATOM 922 C CYS A 63 23.852 -8.958 -8.953 1.00 52.23 C ATOM 923 O CYS A 63 25.036 -9.224 -9.155 1.00 62.20 O ATOM 924 CB CYS A 63 22.994 -7.141 -10.444 1.00 73.11 C ATOM 925 SG CYS A 63 21.862 -8.315 -11.256 1.00 15.03 S ATOM 0 H CYS A 63 25.161 -6.453 -9.101 1.00 32.44 H new ATOM 0 HA CYS A 63 22.466 -7.434 -8.382 1.00 13.35 H new ATOM 0 HB2 CYS A 63 22.537 -6.152 -10.446 1.00 73.11 H new ATOM 0 HB3 CYS A 63 23.910 -7.070 -11.031 1.00 73.11 H new ATOM 930 N GLN A 64 22.937 -9.883 -8.682 1.00 0.04 N ATOM 931 CA GLN A 64 23.282 -11.298 -8.603 1.00 11.55 C ATOM 932 C GLN A 64 22.198 -12.159 -9.242 1.00 51.33 C ATOM 933 O GLN A 64 21.194 -11.645 -9.738 1.00 64.24 O ATOM 934 CB GLN A 64 23.486 -11.714 -7.145 1.00 3.42 C ATOM 935 CG GLN A 64 24.814 -12.408 -6.891 1.00 23.41 C ATOM 936 CD GLN A 64 25.171 -12.466 -5.419 1.00 35.35 C ATOM 937 OE1 GLN A 64 25.723 -11.516 -4.864 1.00 22.02 O ATOM 938 NE2 GLN A 64 24.855 -13.585 -4.776 1.00 50.04 N ATOM 0 H GLN A 64 21.952 -9.679 -8.514 1.00 0.04 H new ATOM 0 HA GLN A 64 24.212 -11.450 -9.151 1.00 11.55 H new ATOM 0 HB2 GLN A 64 23.420 -10.830 -6.511 1.00 3.42 H new ATOM 0 HB3 GLN A 64 22.675 -12.380 -6.849 1.00 3.42 H new ATOM 0 HG2 GLN A 64 24.772 -13.421 -7.291 1.00 23.41 H new ATOM 0 HG3 GLN A 64 25.602 -11.884 -7.432 1.00 23.41 H new ATOM 0 HE21 GLN A 64 24.398 -14.348 -5.275 1.00 50.04 H new ATOM 0 HE22 GLN A 64 25.070 -13.681 -3.783 1.00 50.04 H new TER 947 GLN A 64