USER MOD reduce.3.24.130724 H: found=0, std=0, add=1085, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1084 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 137 GLN : amide:sc= 0.668 K(o=2.5,f=-5.9!) USER MOD Set 1.2: A 140 ASN : amide:sc= 1.81 K(o=2.5,f=-7.9!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -169:sc= 0.884 (180deg=0.701) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0.256 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0.343 K(o=0.34,f=-7.4!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 155:sc= 1.25 (180deg=0.792) USER MOD Single : A 30 LYS NZ :NH3+ 138:sc= 0.0368 (180deg=0) USER MOD Single : A 31 SER OG : rot -155:sc= 0.0326 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -60:sc= 0.0938 USER MOD Single : A 44 GLN : amide:sc= -2.61! C(o=-2.6!,f=-3.6!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 168:sc= -0.0157 (180deg=-0.158) USER MOD Single : A 60 THR OG1 : rot -140:sc= 0.317 USER MOD Single : A 62 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.145) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 37:sc= 0.113 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -68:sc= 1.28 USER MOD Single : A 77 HIS : no HD1:sc= -0.0785 X(o=-0.078,f=0) USER MOD Single : A 79 THR OG1 : rot 156:sc= 1.29 USER MOD Single : A 81 ASN : amide:sc= -0.0144 X(o=-0.014,f=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.422 X(o=-0.42,f=-0.14) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0.00266 USER MOD Single : A 106 THR OG1 : rot 85:sc= 1.16 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 TYR OH : rot 134:sc= 1.29 USER MOD Single : A 113 THR OG1 : rot -130:sc= 0 USER MOD Single : A 115 CYS SG : rot 180:sc= -0.019 USER MOD Single : A 116 TYR OH : rot -161:sc= 1.06 USER MOD Single : A 117 ASN : amide:sc= -0.631 K(o=-0.63,f=-4.3!) USER MOD Single : A 120 TYR OH : rot -172:sc= 0.689 USER MOD Single : A 121 ASN : amide:sc= 0.892 K(o=0.89,f=-1.3) USER MOD Single : A 127 ASN :FLIP amide:sc= 0 F(o=-0.74,f=0) USER MOD Single : A 132 THR OG1 : rot 130:sc= -0.0241 USER MOD Single : A 134 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 141 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.319) USER MOD Single : A 147 HIS : no HD1:sc= -0.234 K(o=-0.23,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 33 N GLU A 4 23.297 4.890 -5.856 1.00 71.21 N ATOM 34 CA GLU A 4 21.871 4.928 -5.562 1.00 51.54 C ATOM 35 C GLU A 4 21.647 4.695 -4.062 1.00 41.51 C ATOM 36 O GLU A 4 22.579 4.695 -3.254 1.00 21.21 O ATOM 37 CB GLU A 4 21.098 3.906 -6.420 1.00 13.21 C ATOM 38 CG GLU A 4 21.578 3.767 -7.869 1.00 51.53 C ATOM 39 CD GLU A 4 22.484 2.545 -8.023 1.00 71.35 C ATOM 40 OE1 GLU A 4 23.612 2.556 -7.488 1.00 42.33 O ATOM 41 OE2 GLU A 4 22.032 1.542 -8.634 1.00 2.12 O ATOM 0 HA GLU A 4 21.482 5.913 -5.819 1.00 51.54 H new ATOM 0 HB2 GLU A 4 21.163 2.930 -5.939 1.00 13.21 H new ATOM 0 HB3 GLU A 4 20.045 4.188 -6.429 1.00 13.21 H new ATOM 0 HG2 GLU A 4 20.720 3.676 -8.535 1.00 51.53 H new ATOM 0 HG3 GLU A 4 22.118 4.666 -8.166 1.00 51.53 H new ATOM 48 N GLU A 5 20.394 4.512 -3.667 1.00 4.31 N ATOM 49 CA GLU A 5 20.017 4.013 -2.357 1.00 4.42 C ATOM 50 C GLU A 5 20.338 2.510 -2.227 1.00 74.43 C ATOM 51 O GLU A 5 20.845 1.872 -3.153 1.00 53.54 O ATOM 52 CB GLU A 5 18.515 4.258 -2.173 1.00 55.44 C ATOM 53 CG GLU A 5 18.149 4.819 -0.801 1.00 52.32 C ATOM 54 CD GLU A 5 18.379 6.331 -0.726 1.00 11.44 C ATOM 55 OE1 GLU A 5 19.537 6.795 -0.779 1.00 62.32 O ATOM 56 OE2 GLU A 5 17.372 7.079 -0.604 1.00 71.11 O ATOM 0 H GLU A 5 19.593 4.713 -4.266 1.00 4.31 H new ATOM 0 HA GLU A 5 20.583 4.534 -1.585 1.00 4.42 H new ATOM 0 HB2 GLU A 5 18.172 4.950 -2.942 1.00 55.44 H new ATOM 0 HB3 GLU A 5 17.981 3.320 -2.327 1.00 55.44 H new ATOM 0 HG2 GLU A 5 17.103 4.599 -0.585 1.00 52.32 H new ATOM 0 HG3 GLU A 5 18.744 4.322 -0.035 1.00 52.32 H new ATOM 63 N ASP A 6 19.971 1.918 -1.088 1.00 62.34 N ATOM 64 CA ASP A 6 19.906 0.472 -0.847 1.00 64.15 C ATOM 65 C ASP A 6 18.457 0.128 -0.488 1.00 0.12 C ATOM 66 O ASP A 6 17.807 0.921 0.204 1.00 22.34 O ATOM 67 CB ASP A 6 20.852 0.115 0.303 1.00 40.53 C ATOM 68 CG ASP A 6 20.618 -1.278 0.871 1.00 14.54 C ATOM 69 OD1 ASP A 6 19.732 -1.376 1.734 1.00 14.44 O ATOM 70 OD2 ASP A 6 21.282 -2.254 0.468 1.00 62.24 O ATOM 0 H ASP A 6 19.697 2.459 -0.268 1.00 62.34 H new ATOM 0 HA ASP A 6 20.210 -0.094 -1.727 1.00 64.15 H new ATOM 0 HB2 ASP A 6 21.881 0.188 -0.048 1.00 40.53 H new ATOM 0 HB3 ASP A 6 20.735 0.849 1.101 1.00 40.53 H new ATOM 75 N PHE A 7 17.935 -1.011 -0.961 1.00 53.41 N ATOM 76 CA PHE A 7 16.540 -1.404 -0.757 1.00 22.20 C ATOM 77 C PHE A 7 16.188 -1.602 0.730 1.00 3.13 C ATOM 78 O PHE A 7 15.130 -1.161 1.179 1.00 11.42 O ATOM 79 CB PHE A 7 16.228 -2.649 -1.611 1.00 35.43 C ATOM 80 CG PHE A 7 17.082 -3.883 -1.321 1.00 52.24 C ATOM 81 CD1 PHE A 7 16.844 -4.660 -0.170 1.00 51.23 C ATOM 82 CD2 PHE A 7 18.110 -4.275 -2.199 1.00 71.44 C ATOM 83 CE1 PHE A 7 17.639 -5.775 0.135 1.00 0.23 C ATOM 84 CE2 PHE A 7 18.883 -5.418 -1.919 1.00 14.23 C ATOM 85 CZ PHE A 7 18.659 -6.159 -0.745 1.00 63.04 C ATOM 0 H PHE A 7 18.475 -1.689 -1.499 1.00 53.41 H new ATOM 0 HA PHE A 7 15.900 -0.587 -1.090 1.00 22.20 H new ATOM 0 HB2 PHE A 7 15.180 -2.913 -1.466 1.00 35.43 H new ATOM 0 HB3 PHE A 7 16.348 -2.385 -2.662 1.00 35.43 H new ATOM 0 HD1 PHE A 7 16.033 -4.392 0.491 1.00 51.23 H new ATOM 0 HD2 PHE A 7 18.306 -3.697 -3.090 1.00 71.44 H new ATOM 0 HE1 PHE A 7 17.466 -6.334 1.043 1.00 0.23 H new ATOM 0 HE2 PHE A 7 19.653 -5.728 -2.610 1.00 14.23 H new ATOM 0 HZ PHE A 7 19.271 -7.021 -0.523 1.00 63.04 H new ATOM 95 N LYS A 8 17.074 -2.202 1.535 1.00 72.34 N ATOM 96 CA LYS A 8 16.877 -2.369 2.973 1.00 71.41 C ATOM 97 C LYS A 8 16.864 -0.988 3.601 1.00 31.42 C ATOM 98 O LYS A 8 15.930 -0.666 4.319 1.00 15.10 O ATOM 99 CB LYS A 8 17.956 -3.290 3.567 1.00 14.44 C ATOM 100 CG LYS A 8 18.101 -3.163 5.092 1.00 72.14 C ATOM 101 CD LYS A 8 19.345 -3.907 5.586 1.00 11.13 C ATOM 102 CE LYS A 8 20.413 -2.912 6.030 1.00 54.23 C ATOM 103 NZ LYS A 8 21.644 -3.572 6.474 1.00 1.21 N ATOM 0 H LYS A 8 17.956 -2.588 1.198 1.00 72.34 H new ATOM 0 HA LYS A 8 15.926 -2.858 3.184 1.00 71.41 H new ATOM 0 HB2 LYS A 8 17.717 -4.324 3.318 1.00 14.44 H new ATOM 0 HB3 LYS A 8 18.914 -3.063 3.099 1.00 14.44 H new ATOM 0 HG2 LYS A 8 18.168 -2.111 5.369 1.00 72.14 H new ATOM 0 HG3 LYS A 8 17.214 -3.565 5.581 1.00 72.14 H new ATOM 0 HD2 LYS A 8 19.080 -4.562 6.416 1.00 11.13 H new ATOM 0 HD3 LYS A 8 19.737 -4.542 4.792 1.00 11.13 H new ATOM 0 HE2 LYS A 8 20.643 -2.238 5.205 1.00 54.23 H new ATOM 0 HE3 LYS A 8 20.020 -2.300 6.841 1.00 54.23 H new ATOM 0 HZ1 LYS A 8 22.337 -2.854 6.765 1.00 1.21 H new ATOM 0 HZ2 LYS A 8 21.433 -4.195 7.279 1.00 1.21 H new ATOM 0 HZ3 LYS A 8 22.037 -4.136 5.693 1.00 1.21 H new ATOM 117 N THR A 9 17.901 -0.189 3.393 1.00 12.24 N ATOM 118 CA THR A 9 18.050 1.128 3.987 1.00 24.00 C ATOM 119 C THR A 9 16.850 2.020 3.644 1.00 32.41 C ATOM 120 O THR A 9 16.389 2.753 4.520 1.00 52.14 O ATOM 121 CB THR A 9 19.411 1.688 3.543 1.00 51.51 C ATOM 122 OG1 THR A 9 20.441 0.792 3.922 1.00 12.44 O ATOM 123 CG2 THR A 9 19.724 3.050 4.162 1.00 71.05 C ATOM 0 H THR A 9 18.682 -0.448 2.790 1.00 12.24 H new ATOM 0 HA THR A 9 18.049 1.082 5.076 1.00 24.00 H new ATOM 0 HB THR A 9 19.359 1.807 2.461 1.00 51.51 H new ATOM 0 HG1 THR A 9 21.307 1.150 3.637 1.00 12.44 H new ATOM 0 HG21 THR A 9 20.697 3.394 3.812 1.00 71.05 H new ATOM 0 HG22 THR A 9 18.958 3.768 3.868 1.00 71.05 H new ATOM 0 HG23 THR A 9 19.740 2.961 5.248 1.00 71.05 H new ATOM 131 N PHE A 10 16.307 1.920 2.424 1.00 74.11 N ATOM 132 CA PHE A 10 15.016 2.486 2.050 1.00 51.54 C ATOM 133 C PHE A 10 13.931 1.984 3.003 1.00 15.21 C ATOM 134 O PHE A 10 13.316 2.794 3.699 1.00 53.31 O ATOM 135 CB PHE A 10 14.708 2.146 0.578 1.00 32.21 C ATOM 136 CG PHE A 10 13.254 2.268 0.150 1.00 20.33 C ATOM 137 CD1 PHE A 10 12.764 3.504 -0.299 1.00 3.33 C ATOM 138 CD2 PHE A 10 12.401 1.142 0.147 1.00 14.24 C ATOM 139 CE1 PHE A 10 11.460 3.601 -0.811 1.00 31.23 C ATOM 140 CE2 PHE A 10 11.069 1.259 -0.296 1.00 15.44 C ATOM 141 CZ PHE A 10 10.605 2.490 -0.783 1.00 73.15 C ATOM 0 H PHE A 10 16.768 1.431 1.656 1.00 74.11 H new ATOM 0 HA PHE A 10 15.044 3.572 2.137 1.00 51.54 H new ATOM 0 HB2 PHE A 10 15.308 2.798 -0.057 1.00 32.21 H new ATOM 0 HB3 PHE A 10 15.037 1.125 0.386 1.00 32.21 H new ATOM 0 HD1 PHE A 10 13.391 4.382 -0.251 1.00 3.33 H new ATOM 0 HD2 PHE A 10 12.772 0.186 0.486 1.00 14.24 H new ATOM 0 HE1 PHE A 10 11.114 4.535 -1.228 1.00 31.23 H new ATOM 0 HE2 PHE A 10 10.408 0.405 -0.261 1.00 15.44 H new ATOM 0 HZ PHE A 10 9.589 2.582 -1.137 1.00 73.15 H new ATOM 151 N LEU A 11 13.690 0.670 3.029 1.00 1.32 N ATOM 152 CA LEU A 11 12.544 0.083 3.709 1.00 43.31 C ATOM 153 C LEU A 11 12.596 0.313 5.220 1.00 73.23 C ATOM 154 O LEU A 11 11.572 0.585 5.834 1.00 12.13 O ATOM 155 CB LEU A 11 12.454 -1.417 3.397 1.00 11.32 C ATOM 156 CG LEU A 11 10.996 -1.907 3.464 1.00 11.22 C ATOM 157 CD1 LEU A 11 10.221 -1.493 2.205 1.00 32.00 C ATOM 158 CD2 LEU A 11 10.988 -3.427 3.654 1.00 34.10 C ATOM 0 H LEU A 11 14.292 -0.016 2.574 1.00 1.32 H new ATOM 0 HA LEU A 11 11.649 0.581 3.336 1.00 43.31 H new ATOM 0 HB2 LEU A 11 12.862 -1.611 2.405 1.00 11.32 H new ATOM 0 HB3 LEU A 11 13.063 -1.977 4.107 1.00 11.32 H new ATOM 0 HG LEU A 11 10.494 -1.443 4.313 1.00 11.22 H new ATOM 0 HD11 LEU A 11 9.194 -1.851 2.276 1.00 32.00 H new ATOM 0 HD12 LEU A 11 10.222 -0.406 2.118 1.00 32.00 H new ATOM 0 HD13 LEU A 11 10.696 -1.928 1.326 1.00 32.00 H new ATOM 0 HD21 LEU A 11 9.959 -3.782 3.702 1.00 34.10 H new ATOM 0 HD22 LEU A 11 11.496 -3.901 2.815 1.00 34.10 H new ATOM 0 HD23 LEU A 11 11.503 -3.681 4.580 1.00 34.10 H new ATOM 170 N GLN A 12 13.790 0.275 5.811 1.00 13.41 N ATOM 171 CA GLN A 12 14.024 0.538 7.224 1.00 33.24 C ATOM 172 C GLN A 12 13.422 1.878 7.630 1.00 43.44 C ATOM 173 O GLN A 12 12.646 1.960 8.582 1.00 11.44 O ATOM 174 CB GLN A 12 15.527 0.505 7.529 1.00 35.20 C ATOM 175 CG GLN A 12 16.069 -0.930 7.544 1.00 1.34 C ATOM 176 CD GLN A 12 16.816 -1.245 8.833 1.00 54.52 C ATOM 177 OE1 GLN A 12 16.219 -1.510 9.871 1.00 2.10 O ATOM 178 NE2 GLN A 12 18.137 -1.177 8.820 1.00 40.21 N ATOM 0 H GLN A 12 14.645 0.053 5.301 1.00 13.41 H new ATOM 0 HA GLN A 12 13.535 -0.243 7.806 1.00 33.24 H new ATOM 0 HB2 GLN A 12 16.063 1.089 6.781 1.00 35.20 H new ATOM 0 HB3 GLN A 12 15.713 0.975 8.495 1.00 35.20 H new ATOM 0 HG2 GLN A 12 15.243 -1.631 7.423 1.00 1.34 H new ATOM 0 HG3 GLN A 12 16.736 -1.074 6.694 1.00 1.34 H new ATOM 0 HE21 GLN A 12 18.628 -0.956 7.954 1.00 40.21 H new ATOM 0 HE22 GLN A 12 18.665 -1.345 9.676 1.00 40.21 H new ATOM 187 N LYS A 13 13.776 2.925 6.882 1.00 35.23 N ATOM 188 CA LYS A 13 13.247 4.266 7.089 1.00 44.14 C ATOM 189 C LYS A 13 11.759 4.272 6.769 1.00 75.13 C ATOM 190 O LYS A 13 10.981 4.910 7.480 1.00 72.13 O ATOM 191 CB LYS A 13 13.975 5.257 6.182 1.00 74.44 C ATOM 192 CG LYS A 13 15.475 5.322 6.501 1.00 22.22 C ATOM 193 CD LYS A 13 16.281 5.835 5.311 1.00 52.32 C ATOM 194 CE LYS A 13 16.414 7.352 5.218 1.00 2.54 C ATOM 195 NZ LYS A 13 15.132 8.093 5.165 1.00 13.43 N ATOM 0 H LYS A 13 14.442 2.861 6.112 1.00 35.23 H new ATOM 0 HA LYS A 13 13.398 4.561 8.127 1.00 44.14 H new ATOM 0 HB2 LYS A 13 13.837 4.967 5.141 1.00 74.44 H new ATOM 0 HB3 LYS A 13 13.535 6.247 6.298 1.00 74.44 H new ATOM 0 HG2 LYS A 13 15.637 5.974 7.359 1.00 22.22 H new ATOM 0 HG3 LYS A 13 15.831 4.331 6.782 1.00 22.22 H new ATOM 0 HD2 LYS A 13 17.280 5.401 5.356 1.00 52.32 H new ATOM 0 HD3 LYS A 13 15.816 5.471 4.395 1.00 52.32 H new ATOM 0 HE2 LYS A 13 16.984 7.705 6.077 1.00 2.54 H new ATOM 0 HE3 LYS A 13 16.994 7.597 4.328 1.00 2.54 H new ATOM 0 HZ1 LYS A 13 15.315 9.086 4.917 1.00 13.43 H new ATOM 0 HZ2 LYS A 13 14.513 7.665 4.447 1.00 13.43 H new ATOM 0 HZ3 LYS A 13 14.666 8.048 6.094 1.00 13.43 H new ATOM 209 N PHE A 14 11.376 3.584 5.685 1.00 35.31 N ATOM 210 CA PHE A 14 10.012 3.571 5.187 1.00 60.21 C ATOM 211 C PHE A 14 9.048 3.152 6.304 1.00 35.14 C ATOM 212 O PHE A 14 7.991 3.757 6.439 1.00 72.01 O ATOM 213 CB PHE A 14 9.856 2.671 3.952 1.00 13.22 C ATOM 214 CG PHE A 14 8.547 2.809 3.188 1.00 52.55 C ATOM 215 CD1 PHE A 14 8.074 4.076 2.787 1.00 14.33 C ATOM 216 CD2 PHE A 14 7.829 1.656 2.813 1.00 12.10 C ATOM 217 CE1 PHE A 14 6.936 4.180 1.966 1.00 61.15 C ATOM 218 CE2 PHE A 14 6.670 1.763 2.022 1.00 22.13 C ATOM 219 CZ PHE A 14 6.228 3.025 1.591 1.00 63.25 C ATOM 0 H PHE A 14 12.018 3.018 5.130 1.00 35.31 H new ATOM 0 HA PHE A 14 9.763 4.583 4.869 1.00 60.21 H new ATOM 0 HB2 PHE A 14 10.677 2.882 3.267 1.00 13.22 H new ATOM 0 HB3 PHE A 14 9.962 1.633 4.267 1.00 13.22 H new ATOM 0 HD1 PHE A 14 8.587 4.969 3.111 1.00 14.33 H new ATOM 0 HD2 PHE A 14 8.171 0.683 3.135 1.00 12.10 H new ATOM 0 HE1 PHE A 14 6.606 5.149 1.623 1.00 61.15 H new ATOM 0 HE2 PHE A 14 6.120 0.875 1.746 1.00 22.13 H new ATOM 0 HZ PHE A 14 5.346 3.108 0.973 1.00 63.25 H new ATOM 229 N THR A 15 9.416 2.179 7.144 1.00 55.12 N ATOM 230 CA THR A 15 8.537 1.635 8.178 1.00 71.03 C ATOM 231 C THR A 15 8.612 2.410 9.508 1.00 35.42 C ATOM 232 O THR A 15 7.960 2.010 10.472 1.00 52.11 O ATOM 233 CB THR A 15 8.787 0.110 8.292 1.00 43.53 C ATOM 234 OG1 THR A 15 10.084 -0.151 8.798 1.00 51.12 O ATOM 235 CG2 THR A 15 8.649 -0.660 6.969 1.00 24.34 C ATOM 0 H THR A 15 10.339 1.746 7.123 1.00 55.12 H new ATOM 0 HA THR A 15 7.497 1.775 7.884 1.00 71.03 H new ATOM 0 HB THR A 15 8.008 -0.241 8.969 1.00 43.53 H new ATOM 0 HG1 THR A 15 10.221 -1.119 8.863 1.00 51.12 H new ATOM 0 HG21 THR A 15 8.841 -1.719 7.143 1.00 24.34 H new ATOM 0 HG22 THR A 15 7.640 -0.533 6.578 1.00 24.34 H new ATOM 0 HG23 THR A 15 9.369 -0.275 6.247 1.00 24.34 H new ATOM 243 N SER A 16 9.388 3.499 9.602 1.00 75.03 N ATOM 244 CA SER A 16 9.608 4.207 10.861 1.00 40.21 C ATOM 245 C SER A 16 9.762 5.722 10.654 1.00 1.43 C ATOM 246 O SER A 16 10.641 6.342 11.251 1.00 41.24 O ATOM 247 CB SER A 16 10.780 3.537 11.608 1.00 33.24 C ATOM 248 OG SER A 16 10.462 3.368 12.978 1.00 12.34 O ATOM 0 H SER A 16 9.878 3.909 8.807 1.00 75.03 H new ATOM 0 HA SER A 16 8.727 4.124 11.497 1.00 40.21 H new ATOM 0 HB2 SER A 16 11.001 2.569 11.158 1.00 33.24 H new ATOM 0 HB3 SER A 16 11.678 4.147 11.509 1.00 33.24 H new ATOM 0 HG SER A 16 11.214 2.940 13.438 1.00 12.34 H new ATOM 254 N SER A 17 8.925 6.328 9.803 1.00 11.50 N ATOM 255 CA SER A 17 8.801 7.777 9.670 1.00 23.32 C ATOM 256 C SER A 17 7.569 8.083 8.814 1.00 3.34 C ATOM 257 O SER A 17 7.620 7.976 7.587 1.00 64.24 O ATOM 258 CB SER A 17 10.082 8.372 9.068 1.00 42.55 C ATOM 259 OG SER A 17 9.941 9.759 8.814 1.00 62.04 O ATOM 0 H SER A 17 8.306 5.812 9.178 1.00 11.50 H new ATOM 0 HA SER A 17 8.671 8.238 10.649 1.00 23.32 H new ATOM 0 HB2 SER A 17 10.916 8.209 9.751 1.00 42.55 H new ATOM 0 HB3 SER A 17 10.324 7.854 8.140 1.00 42.55 H new ATOM 0 HG SER A 17 10.774 10.108 8.433 1.00 62.04 H new ATOM 265 N ALA A 18 6.457 8.465 9.436 1.00 73.34 N ATOM 266 CA ALA A 18 5.236 8.843 8.735 1.00 43.51 C ATOM 267 C ALA A 18 5.509 9.927 7.686 1.00 71.31 C ATOM 268 O ALA A 18 5.125 9.778 6.523 1.00 22.44 O ATOM 269 CB ALA A 18 4.213 9.315 9.761 1.00 24.21 C ATOM 0 H ALA A 18 6.379 8.521 10.451 1.00 73.34 H new ATOM 0 HA ALA A 18 4.843 7.979 8.199 1.00 43.51 H new ATOM 0 HB1 ALA A 18 3.293 9.602 9.252 1.00 24.21 H new ATOM 0 HB2 ALA A 18 4.003 8.508 10.463 1.00 24.21 H new ATOM 0 HB3 ALA A 18 4.610 10.173 10.303 1.00 24.21 H new ATOM 275 N SER A 19 6.219 10.989 8.065 1.00 33.13 N ATOM 276 CA SER A 19 6.583 12.051 7.148 1.00 32.41 C ATOM 277 C SER A 19 7.422 11.506 5.992 1.00 0.11 C ATOM 278 O SER A 19 7.058 11.745 4.845 1.00 22.31 O ATOM 279 CB SER A 19 7.363 13.136 7.892 1.00 44.22 C ATOM 280 OG SER A 19 6.590 13.726 8.917 1.00 22.42 O ATOM 0 H SER A 19 6.555 11.131 9.018 1.00 33.13 H new ATOM 0 HA SER A 19 5.669 12.481 6.737 1.00 32.41 H new ATOM 0 HB2 SER A 19 8.267 12.705 8.321 1.00 44.22 H new ATOM 0 HB3 SER A 19 7.680 13.905 7.187 1.00 44.22 H new ATOM 0 HG SER A 19 7.120 14.413 9.372 1.00 22.42 H new ATOM 286 N PHE A 20 8.522 10.772 6.238 1.00 35.04 N ATOM 287 CA PHE A 20 9.374 10.289 5.147 1.00 64.43 C ATOM 288 C PHE A 20 8.585 9.379 4.194 1.00 22.03 C ATOM 289 O PHE A 20 8.802 9.461 2.987 1.00 64.03 O ATOM 290 CB PHE A 20 10.647 9.609 5.676 1.00 13.53 C ATOM 291 CG PHE A 20 11.546 8.963 4.629 1.00 40.25 C ATOM 292 CD1 PHE A 20 12.314 9.733 3.735 1.00 3.41 C ATOM 293 CD2 PHE A 20 11.602 7.561 4.537 1.00 54.35 C ATOM 294 CE1 PHE A 20 13.101 9.095 2.756 1.00 71.25 C ATOM 295 CE2 PHE A 20 12.338 6.916 3.536 1.00 0.53 C ATOM 296 CZ PHE A 20 13.104 7.689 2.645 1.00 23.24 C ATOM 0 H PHE A 20 8.835 10.505 7.171 1.00 35.04 H new ATOM 0 HA PHE A 20 9.702 11.155 4.572 1.00 64.43 H new ATOM 0 HB2 PHE A 20 11.232 10.351 6.220 1.00 13.53 H new ATOM 0 HB3 PHE A 20 10.354 8.844 6.396 1.00 13.53 H new ATOM 0 HD1 PHE A 20 12.300 10.811 3.800 1.00 3.41 H new ATOM 0 HD2 PHE A 20 11.062 6.965 5.258 1.00 54.35 H new ATOM 0 HE1 PHE A 20 13.706 9.687 2.086 1.00 71.25 H new ATOM 0 HE2 PHE A 20 12.318 5.840 3.449 1.00 0.53 H new ATOM 0 HZ PHE A 20 13.693 7.207 1.878 1.00 23.24 H new ATOM 306 N GLN A 21 7.636 8.583 4.703 1.00 22.43 N ATOM 307 CA GLN A 21 6.734 7.755 3.913 1.00 34.43 C ATOM 308 C GLN A 21 6.016 8.655 2.899 1.00 13.34 C ATOM 309 O GLN A 21 6.216 8.497 1.693 1.00 43.25 O ATOM 310 CB GLN A 21 5.819 6.927 4.854 1.00 73.45 C ATOM 311 CG GLN A 21 4.796 6.023 4.140 1.00 74.34 C ATOM 312 CD GLN A 21 4.560 4.652 4.782 1.00 43.13 C ATOM 313 OE1 GLN A 21 3.424 4.237 4.965 1.00 54.13 O ATOM 314 NE2 GLN A 21 5.594 3.894 5.082 1.00 41.41 N ATOM 0 H GLN A 21 7.475 8.499 5.707 1.00 22.43 H new ATOM 0 HA GLN A 21 7.263 7.005 3.325 1.00 34.43 H new ATOM 0 HB2 GLN A 21 6.447 6.305 5.492 1.00 73.45 H new ATOM 0 HB3 GLN A 21 5.281 7.613 5.508 1.00 73.45 H new ATOM 0 HG2 GLN A 21 3.843 6.550 4.092 1.00 74.34 H new ATOM 0 HG3 GLN A 21 5.128 5.871 3.113 1.00 74.34 H new ATOM 0 HE21 GLN A 21 6.541 4.240 4.929 1.00 41.41 H new ATOM 0 HE22 GLN A 21 5.448 2.961 5.467 1.00 41.41 H new ATOM 323 N TYR A 22 5.261 9.658 3.357 1.00 63.44 N ATOM 324 CA TYR A 22 4.584 10.617 2.481 1.00 55.43 C ATOM 325 C TYR A 22 5.543 11.364 1.555 1.00 33.05 C ATOM 326 O TYR A 22 5.272 11.525 0.361 1.00 64.30 O ATOM 327 CB TYR A 22 3.783 11.602 3.338 1.00 4.53 C ATOM 328 CG TYR A 22 2.509 10.988 3.861 1.00 2.21 C ATOM 329 CD1 TYR A 22 1.545 10.498 2.959 1.00 0.54 C ATOM 330 CD2 TYR A 22 2.305 10.872 5.245 1.00 32.15 C ATOM 331 CE1 TYR A 22 0.393 9.866 3.443 1.00 0.54 C ATOM 332 CE2 TYR A 22 1.149 10.254 5.741 1.00 22.35 C ATOM 333 CZ TYR A 22 0.202 9.722 4.836 1.00 60.41 C ATOM 334 OH TYR A 22 -0.929 9.114 5.273 1.00 60.33 O ATOM 0 H TYR A 22 5.102 9.828 4.350 1.00 63.44 H new ATOM 0 HA TYR A 22 3.915 10.054 1.830 1.00 55.43 H new ATOM 0 HB2 TYR A 22 4.396 11.935 4.176 1.00 4.53 H new ATOM 0 HB3 TYR A 22 3.544 12.486 2.747 1.00 4.53 H new ATOM 0 HD1 TYR A 22 1.694 10.610 1.895 1.00 0.54 H new ATOM 0 HD2 TYR A 22 3.043 11.261 5.931 1.00 32.15 H new ATOM 0 HE1 TYR A 22 -0.348 9.489 2.753 1.00 0.54 H new ATOM 0 HE2 TYR A 22 0.983 10.185 6.806 1.00 22.35 H new ATOM 0 HH TYR A 22 -0.926 9.083 6.253 1.00 60.33 H new ATOM 344 N SER A 23 6.691 11.775 2.081 1.00 31.42 N ATOM 345 CA SER A 23 7.777 12.453 1.393 1.00 3.33 C ATOM 346 C SER A 23 8.381 11.603 0.263 1.00 72.30 C ATOM 347 O SER A 23 9.249 12.093 -0.466 1.00 55.21 O ATOM 348 CB SER A 23 8.814 12.809 2.467 1.00 51.14 C ATOM 349 OG SER A 23 9.706 13.845 2.130 1.00 40.41 O ATOM 0 H SER A 23 6.899 11.632 3.069 1.00 31.42 H new ATOM 0 HA SER A 23 7.411 13.350 0.894 1.00 3.33 H new ATOM 0 HB2 SER A 23 8.286 13.090 3.378 1.00 51.14 H new ATOM 0 HB3 SER A 23 9.394 11.915 2.698 1.00 51.14 H new ATOM 0 HG SER A 23 10.324 13.999 2.874 1.00 40.41 H new ATOM 355 N ARG A 24 7.952 10.353 0.056 1.00 21.04 N ATOM 356 CA ARG A 24 8.444 9.482 -1.004 1.00 53.13 C ATOM 357 C ARG A 24 7.339 8.992 -1.936 1.00 2.11 C ATOM 358 O ARG A 24 7.668 8.257 -2.857 1.00 71.45 O ATOM 359 CB ARG A 24 9.197 8.301 -0.365 1.00 63.01 C ATOM 360 CG ARG A 24 10.521 8.654 0.339 1.00 1.23 C ATOM 361 CD ARG A 24 11.643 9.050 -0.625 1.00 41.34 C ATOM 362 NE ARG A 24 11.544 10.457 -1.038 1.00 54.12 N ATOM 363 CZ ARG A 24 12.113 11.042 -2.095 1.00 51.43 C ATOM 364 NH1 ARG A 24 12.766 10.352 -3.018 1.00 20.03 N ATOM 365 NH2 ARG A 24 12.010 12.352 -2.230 1.00 55.30 N ATOM 0 H ARG A 24 7.237 9.914 0.636 1.00 21.04 H new ATOM 0 HA ARG A 24 9.120 10.062 -1.632 1.00 53.13 H new ATOM 0 HB2 ARG A 24 8.538 7.823 0.360 1.00 63.01 H new ATOM 0 HB3 ARG A 24 9.405 7.564 -1.141 1.00 63.01 H new ATOM 0 HG2 ARG A 24 10.345 9.474 1.035 1.00 1.23 H new ATOM 0 HG3 ARG A 24 10.847 7.799 0.931 1.00 1.23 H new ATOM 0 HD2 ARG A 24 12.608 8.880 -0.148 1.00 41.34 H new ATOM 0 HD3 ARG A 24 11.606 8.410 -1.507 1.00 41.34 H new ATOM 0 HE ARG A 24 10.972 11.059 -0.446 1.00 54.12 H new ATOM 0 HH11 ARG A 24 12.847 9.339 -2.935 1.00 20.03 H new ATOM 0 HH12 ARG A 24 13.188 10.834 -3.812 1.00 20.03 H new ATOM 0 HH21 ARG A 24 11.503 12.898 -1.534 1.00 55.30 H new ATOM 0 HH22 ARG A 24 12.438 12.817 -3.031 1.00 55.30 H new ATOM 379 N ILE A 25 6.064 9.346 -1.764 1.00 42.23 N ATOM 380 CA ILE A 25 4.981 8.758 -2.561 1.00 42.32 C ATOM 381 C ILE A 25 4.450 9.823 -3.531 1.00 20.15 C ATOM 382 O ILE A 25 4.238 10.973 -3.138 1.00 61.23 O ATOM 383 CB ILE A 25 3.910 8.154 -1.626 1.00 51.34 C ATOM 384 CG1 ILE A 25 4.497 7.069 -0.697 1.00 15.53 C ATOM 385 CG2 ILE A 25 2.790 7.497 -2.446 1.00 34.02 C ATOM 386 CD1 ILE A 25 3.684 6.877 0.571 1.00 34.31 C ATOM 0 H ILE A 25 5.754 10.037 -1.080 1.00 42.23 H new ATOM 0 HA ILE A 25 5.337 7.928 -3.171 1.00 42.32 H new ATOM 0 HB ILE A 25 3.526 8.979 -1.026 1.00 51.34 H new ATOM 0 HG12 ILE A 25 4.548 6.124 -1.237 1.00 15.53 H new ATOM 0 HG13 ILE A 25 5.519 7.339 -0.431 1.00 15.53 H new ATOM 0 HG21 ILE A 25 2.044 7.077 -1.772 1.00 34.02 H new ATOM 0 HG22 ILE A 25 2.321 8.245 -3.086 1.00 34.02 H new ATOM 0 HG23 ILE A 25 3.209 6.703 -3.064 1.00 34.02 H new ATOM 0 HD11 ILE A 25 4.144 6.102 1.185 1.00 34.31 H new ATOM 0 HD12 ILE A 25 3.655 7.813 1.129 1.00 34.31 H new ATOM 0 HD13 ILE A 25 2.669 6.578 0.310 1.00 34.31 H new ATOM 398 N LYS A 26 4.296 9.488 -4.817 1.00 72.11 N ATOM 399 CA LYS A 26 3.642 10.362 -5.796 1.00 61.30 C ATOM 400 C LYS A 26 2.140 10.451 -5.521 1.00 35.05 C ATOM 401 O LYS A 26 1.550 9.572 -4.891 1.00 21.25 O ATOM 402 CB LYS A 26 3.866 9.837 -7.231 1.00 42.34 C ATOM 403 CG LYS A 26 4.759 10.759 -8.075 1.00 62.20 C ATOM 404 CD LYS A 26 6.229 10.346 -7.979 1.00 14.41 C ATOM 405 CE LYS A 26 7.092 11.379 -8.710 1.00 1.21 C ATOM 406 NZ LYS A 26 8.550 11.199 -8.529 1.00 12.51 N ATOM 0 H LYS A 26 4.621 8.604 -5.208 1.00 72.11 H new ATOM 0 HA LYS A 26 4.084 11.354 -5.704 1.00 61.30 H new ATOM 0 HB2 LYS A 26 4.318 8.847 -7.183 1.00 42.34 H new ATOM 0 HB3 LYS A 26 2.901 9.723 -7.725 1.00 42.34 H new ATOM 0 HG2 LYS A 26 4.437 10.728 -9.116 1.00 62.20 H new ATOM 0 HG3 LYS A 26 4.645 11.789 -7.737 1.00 62.20 H new ATOM 0 HD2 LYS A 26 6.532 10.276 -6.934 1.00 14.41 H new ATOM 0 HD3 LYS A 26 6.371 9.359 -8.419 1.00 14.41 H new ATOM 0 HE2 LYS A 26 6.863 11.337 -9.775 1.00 1.21 H new ATOM 0 HE3 LYS A 26 6.816 12.375 -8.364 1.00 1.21 H new ATOM 0 HZ1 LYS A 26 9.054 11.619 -9.336 1.00 12.51 H new ATOM 0 HZ2 LYS A 26 8.851 11.667 -7.650 1.00 12.51 H new ATOM 0 HZ3 LYS A 26 8.770 10.184 -8.474 1.00 12.51 H new ATOM 420 N PHE A 27 1.484 11.472 -6.064 1.00 71.02 N ATOM 421 CA PHE A 27 0.036 11.564 -6.116 1.00 72.01 C ATOM 422 C PHE A 27 -0.360 12.305 -7.401 1.00 15.11 C ATOM 423 O PHE A 27 0.289 13.306 -7.720 1.00 52.34 O ATOM 424 CB PHE A 27 -0.494 12.257 -4.858 1.00 64.31 C ATOM 425 CG PHE A 27 0.222 13.529 -4.450 1.00 55.52 C ATOM 426 CD1 PHE A 27 -0.185 14.769 -4.974 1.00 44.32 C ATOM 427 CD2 PHE A 27 1.283 13.472 -3.526 1.00 2.14 C ATOM 428 CE1 PHE A 27 0.441 15.951 -4.547 1.00 35.13 C ATOM 429 CE2 PHE A 27 1.919 14.654 -3.113 1.00 24.43 C ATOM 430 CZ PHE A 27 1.487 15.893 -3.614 1.00 63.22 C ATOM 0 H PHE A 27 1.956 12.271 -6.487 1.00 71.02 H new ATOM 0 HA PHE A 27 -0.412 10.571 -6.139 1.00 72.01 H new ATOM 0 HB2 PHE A 27 -1.548 12.490 -5.012 1.00 64.31 H new ATOM 0 HB3 PHE A 27 -0.441 11.552 -4.029 1.00 64.31 H new ATOM 0 HD1 PHE A 27 -0.979 14.812 -5.705 1.00 44.32 H new ATOM 0 HD2 PHE A 27 1.608 12.519 -3.135 1.00 2.14 H new ATOM 0 HE1 PHE A 27 0.117 16.905 -4.937 1.00 35.13 H new ATOM 0 HE2 PHE A 27 2.739 14.610 -2.411 1.00 24.43 H new ATOM 0 HZ PHE A 27 1.962 16.804 -3.280 1.00 63.22 H new ATOM 440 N PRO A 28 -1.407 11.864 -8.126 1.00 61.21 N ATOM 441 CA PRO A 28 -2.192 10.663 -7.859 1.00 62.33 C ATOM 442 C PRO A 28 -1.383 9.387 -8.146 1.00 42.33 C ATOM 443 O PRO A 28 -0.221 9.452 -8.565 1.00 23.31 O ATOM 444 CB PRO A 28 -3.424 10.783 -8.756 1.00 11.22 C ATOM 445 CG PRO A 28 -2.885 11.521 -9.973 1.00 54.12 C ATOM 446 CD PRO A 28 -1.854 12.475 -9.368 1.00 52.20 C ATOM 0 HA PRO A 28 -2.475 10.584 -6.809 1.00 62.33 H new ATOM 0 HB2 PRO A 28 -3.828 9.806 -9.022 1.00 11.22 H new ATOM 0 HB3 PRO A 28 -4.226 11.338 -8.269 1.00 11.22 H new ATOM 0 HG2 PRO A 28 -2.431 10.838 -10.691 1.00 54.12 H new ATOM 0 HG3 PRO A 28 -3.673 12.059 -10.500 1.00 54.12 H new ATOM 0 HD2 PRO A 28 -1.017 12.625 -10.050 1.00 52.20 H new ATOM 0 HD3 PRO A 28 -2.294 13.455 -9.182 1.00 52.20 H new ATOM 454 N LEU A 29 -1.972 8.228 -7.852 1.00 63.04 N ATOM 455 CA LEU A 29 -1.298 6.938 -8.007 1.00 14.21 C ATOM 456 C LEU A 29 -1.679 6.337 -9.368 1.00 13.20 C ATOM 457 O LEU A 29 -1.945 7.097 -10.304 1.00 60.41 O ATOM 458 CB LEU A 29 -1.578 6.098 -6.750 1.00 14.30 C ATOM 459 CG LEU A 29 -0.843 6.687 -5.520 1.00 55.32 C ATOM 460 CD1 LEU A 29 -1.383 6.148 -4.194 1.00 53.34 C ATOM 461 CD2 LEU A 29 0.662 6.418 -5.566 1.00 60.02 C ATOM 0 H LEU A 29 -2.927 8.156 -7.501 1.00 63.04 H new ATOM 0 HA LEU A 29 -0.211 7.007 -8.052 1.00 14.21 H new ATOM 0 HB2 LEU A 29 -2.651 6.068 -6.558 1.00 14.30 H new ATOM 0 HB3 LEU A 29 -1.255 5.070 -6.915 1.00 14.30 H new ATOM 0 HG LEU A 29 -1.028 7.760 -5.570 1.00 55.32 H new ATOM 0 HD11 LEU A 29 -0.831 6.595 -3.368 1.00 53.34 H new ATOM 0 HD12 LEU A 29 -2.440 6.399 -4.102 1.00 53.34 H new ATOM 0 HD13 LEU A 29 -1.264 5.065 -4.166 1.00 53.34 H new ATOM 0 HD21 LEU A 29 1.136 6.849 -4.684 1.00 60.02 H new ATOM 0 HD22 LEU A 29 0.839 5.343 -5.584 1.00 60.02 H new ATOM 0 HD23 LEU A 29 1.085 6.870 -6.463 1.00 60.02 H new ATOM 473 N LYS A 30 -1.628 5.014 -9.536 1.00 32.41 N ATOM 474 CA LYS A 30 -1.943 4.340 -10.808 1.00 14.21 C ATOM 475 C LYS A 30 -3.082 3.313 -10.652 1.00 0.30 C ATOM 476 O LYS A 30 -3.486 2.689 -11.630 1.00 60.23 O ATOM 477 CB LYS A 30 -0.670 3.755 -11.437 1.00 1.50 C ATOM 478 CG LYS A 30 0.423 4.806 -11.724 1.00 71.24 C ATOM 479 CD LYS A 30 1.677 4.217 -12.394 1.00 44.42 C ATOM 480 CE LYS A 30 2.780 5.291 -12.472 1.00 13.53 C ATOM 481 NZ LYS A 30 4.023 4.816 -13.123 1.00 33.42 N ATOM 0 H LYS A 30 -1.365 4.370 -8.790 1.00 32.41 H new ATOM 0 HA LYS A 30 -2.326 5.083 -11.507 1.00 14.21 H new ATOM 0 HB2 LYS A 30 -0.263 2.994 -10.771 1.00 1.50 H new ATOM 0 HB3 LYS A 30 -0.933 3.255 -12.369 1.00 1.50 H new ATOM 0 HG2 LYS A 30 0.009 5.584 -12.365 1.00 71.24 H new ATOM 0 HG3 LYS A 30 0.711 5.285 -10.788 1.00 71.24 H new ATOM 0 HD2 LYS A 30 2.033 3.357 -11.827 1.00 44.42 H new ATOM 0 HD3 LYS A 30 1.432 3.860 -13.395 1.00 44.42 H new ATOM 0 HE2 LYS A 30 2.399 6.153 -13.020 1.00 13.53 H new ATOM 0 HE3 LYS A 30 3.015 5.633 -11.464 1.00 13.53 H new ATOM 0 HZ1 LYS A 30 4.386 5.555 -13.759 1.00 33.42 H new ATOM 0 HZ2 LYS A 30 4.736 4.603 -12.396 1.00 33.42 H new ATOM 0 HZ3 LYS A 30 3.821 3.956 -13.672 1.00 33.42 H new ATOM 495 N SER A 31 -3.639 3.179 -9.450 1.00 13.22 N ATOM 496 CA SER A 31 -4.649 2.225 -9.022 1.00 20.03 C ATOM 497 C SER A 31 -5.930 3.004 -8.708 1.00 44.44 C ATOM 498 O SER A 31 -6.081 3.517 -7.591 1.00 20.02 O ATOM 499 CB SER A 31 -4.094 1.435 -7.830 1.00 44.25 C ATOM 500 OG SER A 31 -5.014 0.563 -7.213 1.00 0.11 O ATOM 0 H SER A 31 -3.366 3.794 -8.684 1.00 13.22 H new ATOM 0 HA SER A 31 -4.896 1.496 -9.794 1.00 20.03 H new ATOM 0 HB2 SER A 31 -3.235 0.854 -8.167 1.00 44.25 H new ATOM 0 HB3 SER A 31 -3.729 2.141 -7.084 1.00 44.25 H new ATOM 0 HG SER A 31 -4.747 0.411 -6.282 1.00 0.11 H new ATOM 506 N PRO A 32 -6.804 3.267 -9.699 1.00 34.40 N ATOM 507 CA PRO A 32 -8.123 3.793 -9.399 1.00 11.30 C ATOM 508 C PRO A 32 -8.874 2.816 -8.506 1.00 15.11 C ATOM 509 O PRO A 32 -8.895 1.611 -8.753 1.00 72.21 O ATOM 510 CB PRO A 32 -8.834 3.994 -10.734 1.00 41.41 C ATOM 511 CG PRO A 32 -8.107 3.040 -11.677 1.00 14.23 C ATOM 512 CD PRO A 32 -6.687 2.961 -11.116 1.00 61.12 C ATOM 0 HA PRO A 32 -8.068 4.740 -8.862 1.00 11.30 H new ATOM 0 HB2 PRO A 32 -9.895 3.755 -10.663 1.00 41.41 H new ATOM 0 HB3 PRO A 32 -8.762 5.027 -11.075 1.00 41.41 H new ATOM 0 HG2 PRO A 32 -8.583 2.059 -11.695 1.00 14.23 H new ATOM 0 HG3 PRO A 32 -8.110 3.414 -12.701 1.00 14.23 H new ATOM 0 HD2 PRO A 32 -6.261 1.969 -11.268 1.00 61.12 H new ATOM 0 HD3 PRO A 32 -6.029 3.671 -11.616 1.00 61.12 H new ATOM 520 N ILE A 33 -9.513 3.362 -7.477 1.00 53.23 N ATOM 521 CA ILE A 33 -10.368 2.606 -6.572 1.00 4.52 C ATOM 522 C ILE A 33 -11.624 2.300 -7.366 1.00 63.31 C ATOM 523 O ILE A 33 -12.379 3.229 -7.671 1.00 72.13 O ATOM 524 CB ILE A 33 -10.625 3.434 -5.295 1.00 54.24 C ATOM 525 CG1 ILE A 33 -9.316 3.501 -4.481 1.00 20.10 C ATOM 526 CG2 ILE A 33 -11.750 2.863 -4.418 1.00 64.24 C ATOM 527 CD1 ILE A 33 -9.157 4.865 -3.823 1.00 73.44 C ATOM 0 H ILE A 33 -9.450 4.354 -7.246 1.00 53.23 H new ATOM 0 HA ILE A 33 -9.923 1.673 -6.225 1.00 4.52 H new ATOM 0 HB ILE A 33 -10.950 4.427 -5.606 1.00 54.24 H new ATOM 0 HG12 ILE A 33 -9.317 2.722 -3.718 1.00 20.10 H new ATOM 0 HG13 ILE A 33 -8.466 3.306 -5.135 1.00 20.10 H new ATOM 0 HG21 ILE A 33 -11.879 3.492 -3.537 1.00 64.24 H new ATOM 0 HG22 ILE A 33 -12.679 2.840 -4.987 1.00 64.24 H new ATOM 0 HG23 ILE A 33 -11.491 1.851 -4.107 1.00 64.24 H new ATOM 0 HD11 ILE A 33 -8.227 4.889 -3.255 1.00 73.44 H new ATOM 0 HD12 ILE A 33 -9.133 5.639 -4.590 1.00 73.44 H new ATOM 0 HD13 ILE A 33 -9.997 5.045 -3.152 1.00 73.44 H new ATOM 539 N ALA A 34 -11.807 1.046 -7.775 1.00 4.22 N ATOM 540 CA ALA A 34 -12.973 0.595 -8.515 1.00 31.22 C ATOM 541 C ALA A 34 -13.936 -0.039 -7.517 1.00 51.45 C ATOM 542 O ALA A 34 -13.467 -0.818 -6.692 1.00 41.54 O ATOM 543 CB ALA A 34 -12.556 -0.382 -9.617 1.00 32.33 C ATOM 0 H ALA A 34 -11.132 0.303 -7.595 1.00 4.22 H new ATOM 0 HA ALA A 34 -13.470 1.428 -9.012 1.00 31.22 H new ATOM 0 HB1 ALA A 34 -13.439 -0.712 -10.164 1.00 32.33 H new ATOM 0 HB2 ALA A 34 -11.869 0.114 -10.303 1.00 32.33 H new ATOM 0 HB3 ALA A 34 -12.062 -1.245 -9.170 1.00 32.33 H new ATOM 549 N LEU A 35 -15.225 0.336 -7.529 1.00 63.25 N ATOM 550 CA LEU A 35 -16.235 -0.164 -6.577 1.00 21.03 C ATOM 551 C LEU A 35 -17.534 -0.467 -7.333 1.00 34.14 C ATOM 552 O LEU A 35 -17.528 -0.442 -8.565 1.00 54.35 O ATOM 553 CB LEU A 35 -16.472 0.824 -5.409 1.00 63.24 C ATOM 554 CG LEU A 35 -15.209 1.227 -4.626 1.00 32.13 C ATOM 555 CD1 LEU A 35 -15.533 2.347 -3.632 1.00 12.22 C ATOM 556 CD2 LEU A 35 -14.563 0.062 -3.878 1.00 33.03 C ATOM 0 H LEU A 35 -15.601 1.001 -8.205 1.00 63.25 H new ATOM 0 HA LEU A 35 -15.863 -1.083 -6.124 1.00 21.03 H new ATOM 0 HB2 LEU A 35 -16.938 1.726 -5.806 1.00 63.24 H new ATOM 0 HB3 LEU A 35 -17.184 0.377 -4.715 1.00 63.24 H new ATOM 0 HG LEU A 35 -14.491 1.573 -5.369 1.00 32.13 H new ATOM 0 HD11 LEU A 35 -14.630 2.621 -3.086 1.00 12.22 H new ATOM 0 HD12 LEU A 35 -15.908 3.216 -4.173 1.00 12.22 H new ATOM 0 HD13 LEU A 35 -16.291 2.002 -2.929 1.00 12.22 H new ATOM 0 HD21 LEU A 35 -13.679 0.416 -3.348 1.00 33.03 H new ATOM 0 HD22 LEU A 35 -15.274 -0.350 -3.162 1.00 33.03 H new ATOM 0 HD23 LEU A 35 -14.274 -0.712 -4.589 1.00 33.03 H new ATOM 568 N LEU A 36 -18.621 -0.766 -6.611 1.00 13.13 N ATOM 569 CA LEU A 36 -19.960 -1.050 -7.130 1.00 35.33 C ATOM 570 C LEU A 36 -20.934 -0.018 -6.555 1.00 71.03 C ATOM 571 O LEU A 36 -20.746 0.405 -5.414 1.00 53.13 O ATOM 572 CB LEU A 36 -20.417 -2.456 -6.694 1.00 3.40 C ATOM 573 CG LEU A 36 -19.532 -3.625 -7.169 1.00 52.15 C ATOM 574 CD1 LEU A 36 -20.063 -4.973 -6.671 1.00 53.34 C ATOM 575 CD2 LEU A 36 -19.414 -3.671 -8.692 1.00 14.30 C ATOM 0 H LEU A 36 -18.585 -0.819 -5.593 1.00 13.13 H new ATOM 0 HA LEU A 36 -19.941 -1.003 -8.219 1.00 35.33 H new ATOM 0 HB2 LEU A 36 -20.466 -2.481 -5.605 1.00 3.40 H new ATOM 0 HB3 LEU A 36 -21.430 -2.619 -7.062 1.00 3.40 H new ATOM 0 HG LEU A 36 -18.544 -3.448 -6.744 1.00 52.15 H new ATOM 0 HD11 LEU A 36 -19.414 -5.773 -7.026 1.00 53.34 H new ATOM 0 HD12 LEU A 36 -20.081 -4.977 -5.581 1.00 53.34 H new ATOM 0 HD13 LEU A 36 -21.072 -5.129 -7.051 1.00 53.34 H new ATOM 0 HD21 LEU A 36 -18.782 -4.510 -8.983 1.00 14.30 H new ATOM 0 HD22 LEU A 36 -20.404 -3.794 -9.130 1.00 14.30 H new ATOM 0 HD23 LEU A 36 -18.972 -2.742 -9.051 1.00 14.30 H new ATOM 587 N LYS A 37 -21.962 0.398 -7.312 1.00 0.10 N ATOM 588 CA LYS A 37 -22.851 1.520 -6.967 1.00 14.52 C ATOM 589 C LYS A 37 -24.223 1.084 -6.454 1.00 64.14 C ATOM 590 O LYS A 37 -25.214 1.772 -6.719 1.00 43.43 O ATOM 591 CB LYS A 37 -23.021 2.461 -8.175 1.00 43.51 C ATOM 592 CG LYS A 37 -21.702 2.786 -8.865 1.00 22.33 C ATOM 593 CD LYS A 37 -21.891 3.693 -10.074 1.00 72.33 C ATOM 594 CE LYS A 37 -21.707 5.170 -9.708 1.00 60.41 C ATOM 595 NZ LYS A 37 -22.953 5.943 -9.793 1.00 44.24 N ATOM 0 H LYS A 37 -22.203 -0.045 -8.199 1.00 0.10 H new ATOM 0 HA LYS A 37 -22.364 2.045 -6.145 1.00 14.52 H new ATOM 0 HB2 LYS A 37 -23.698 2.001 -8.895 1.00 43.51 H new ATOM 0 HB3 LYS A 37 -23.490 3.388 -7.844 1.00 43.51 H new ATOM 0 HG2 LYS A 37 -21.031 3.268 -8.154 1.00 22.33 H new ATOM 0 HG3 LYS A 37 -21.221 1.860 -9.180 1.00 22.33 H new ATOM 0 HD2 LYS A 37 -21.177 3.419 -10.850 1.00 72.33 H new ATOM 0 HD3 LYS A 37 -22.887 3.542 -10.490 1.00 72.33 H new ATOM 0 HE2 LYS A 37 -21.311 5.241 -8.695 1.00 60.41 H new ATOM 0 HE3 LYS A 37 -20.965 5.613 -10.372 1.00 60.41 H new ATOM 0 HZ1 LYS A 37 -22.766 6.933 -9.535 1.00 44.24 H new ATOM 0 HZ2 LYS A 37 -23.321 5.903 -10.765 1.00 44.24 H new ATOM 0 HZ3 LYS A 37 -23.656 5.542 -9.140 1.00 44.24 H new ATOM 609 N ASP A 38 -24.302 -0.051 -5.761 1.00 54.53 N ATOM 610 CA ASP A 38 -25.533 -0.620 -5.180 1.00 42.54 C ATOM 611 C ASP A 38 -26.537 -1.108 -6.242 1.00 21.03 C ATOM 612 O ASP A 38 -27.571 -1.692 -5.930 1.00 2.50 O ATOM 613 CB ASP A 38 -26.152 0.375 -4.182 1.00 52.41 C ATOM 614 CG ASP A 38 -27.178 -0.198 -3.207 1.00 71.14 C ATOM 615 OD1 ASP A 38 -27.239 -1.435 -3.011 1.00 75.32 O ATOM 616 OD2 ASP A 38 -27.813 0.639 -2.528 1.00 55.22 O ATOM 0 H ASP A 38 -23.481 -0.628 -5.577 1.00 54.53 H new ATOM 0 HA ASP A 38 -25.257 -1.521 -4.632 1.00 42.54 H new ATOM 0 HB2 ASP A 38 -25.346 0.827 -3.604 1.00 52.41 H new ATOM 0 HB3 ASP A 38 -26.627 1.177 -4.748 1.00 52.41 H new ATOM 621 N ASP A 39 -26.194 -0.999 -7.529 1.00 21.03 N ATOM 622 CA ASP A 39 -26.944 -1.568 -8.664 1.00 0.54 C ATOM 623 C ASP A 39 -26.631 -3.071 -8.820 1.00 44.21 C ATOM 624 O ASP A 39 -26.972 -3.724 -9.806 1.00 11.41 O ATOM 625 CB ASP A 39 -26.586 -0.774 -9.938 1.00 74.05 C ATOM 626 CG ASP A 39 -27.765 -0.021 -10.565 1.00 15.43 C ATOM 627 OD1 ASP A 39 -28.916 -0.487 -10.494 1.00 0.12 O ATOM 628 OD2 ASP A 39 -27.498 1.093 -11.088 1.00 24.00 O ATOM 0 H ASP A 39 -25.358 -0.495 -7.825 1.00 21.03 H new ATOM 0 HA ASP A 39 -28.016 -1.484 -8.486 1.00 0.54 H new ATOM 0 HB2 ASP A 39 -25.800 -0.058 -9.697 1.00 74.05 H new ATOM 0 HB3 ASP A 39 -26.175 -1.462 -10.677 1.00 74.05 H new ATOM 633 N GLY A 40 -25.899 -3.633 -7.857 1.00 52.24 N ATOM 634 CA GLY A 40 -25.172 -4.875 -7.989 1.00 15.34 C ATOM 635 C GLY A 40 -23.898 -4.584 -8.752 1.00 42.53 C ATOM 636 O GLY A 40 -22.974 -4.028 -8.166 1.00 73.02 O ATOM 0 H GLY A 40 -25.799 -3.212 -6.933 1.00 52.24 H new ATOM 0 HA2 GLY A 40 -24.943 -5.290 -7.008 1.00 15.34 H new ATOM 0 HA3 GLY A 40 -25.773 -5.616 -8.517 1.00 15.34 H new ATOM 640 N GLU A 41 -23.847 -4.907 -10.041 1.00 41.23 N ATOM 641 CA GLU A 41 -22.636 -4.829 -10.845 1.00 1.11 C ATOM 642 C GLU A 41 -22.737 -3.616 -11.757 1.00 0.34 C ATOM 643 O GLU A 41 -23.037 -3.683 -12.951 1.00 55.52 O ATOM 644 CB GLU A 41 -22.382 -6.134 -11.587 1.00 53.15 C ATOM 645 CG GLU A 41 -21.860 -7.245 -10.648 1.00 33.12 C ATOM 646 CD GLU A 41 -20.486 -7.813 -11.027 1.00 34.04 C ATOM 647 OE1 GLU A 41 -20.142 -7.826 -12.228 1.00 42.51 O ATOM 648 OE2 GLU A 41 -19.799 -8.345 -10.122 1.00 73.12 O ATOM 0 H GLU A 41 -24.660 -5.235 -10.562 1.00 41.23 H new ATOM 0 HA GLU A 41 -21.763 -4.694 -10.207 1.00 1.11 H new ATOM 0 HB2 GLU A 41 -23.305 -6.466 -12.062 1.00 53.15 H new ATOM 0 HB3 GLU A 41 -21.657 -5.963 -12.383 1.00 53.15 H new ATOM 0 HG2 GLU A 41 -21.807 -6.849 -9.634 1.00 33.12 H new ATOM 0 HG3 GLU A 41 -22.584 -8.060 -10.635 1.00 33.12 H new ATOM 655 N THR A 42 -22.511 -2.477 -11.132 1.00 21.43 N ATOM 656 CA THR A 42 -22.150 -1.224 -11.775 1.00 20.32 C ATOM 657 C THR A 42 -20.639 -1.086 -11.716 1.00 4.53 C ATOM 658 O THR A 42 -20.039 -1.281 -10.659 1.00 15.53 O ATOM 659 CB THR A 42 -22.820 -0.032 -11.069 1.00 14.23 C ATOM 660 OG1 THR A 42 -23.344 -0.412 -9.804 1.00 72.02 O ATOM 661 CG2 THR A 42 -23.942 0.533 -11.939 1.00 55.21 C ATOM 0 H THR A 42 -22.576 -2.394 -10.118 1.00 21.43 H new ATOM 0 HA THR A 42 -22.493 -1.228 -12.810 1.00 20.32 H new ATOM 0 HB THR A 42 -22.060 0.733 -10.912 1.00 14.23 H new ATOM 0 HG1 THR A 42 -24.013 -1.117 -9.926 1.00 72.02 H new ATOM 0 HG21 THR A 42 -24.409 1.376 -11.429 1.00 55.21 H new ATOM 0 HG22 THR A 42 -23.531 0.868 -12.891 1.00 55.21 H new ATOM 0 HG23 THR A 42 -24.688 -0.241 -12.118 1.00 55.21 H new ATOM 669 N GLU A 43 -20.035 -0.708 -12.834 1.00 60.23 N ATOM 670 CA GLU A 43 -18.714 -0.114 -12.827 1.00 63.15 C ATOM 671 C GLU A 43 -18.768 1.164 -11.987 1.00 64.33 C ATOM 672 O GLU A 43 -19.714 1.945 -12.095 1.00 41.33 O ATOM 673 CB GLU A 43 -18.290 0.164 -14.279 1.00 4.50 C ATOM 674 CG GLU A 43 -19.093 1.286 -14.956 1.00 41.22 C ATOM 675 CD GLU A 43 -19.117 1.159 -16.476 1.00 41.22 C ATOM 676 OE1 GLU A 43 -20.035 0.487 -16.992 1.00 52.25 O ATOM 677 OE2 GLU A 43 -18.300 1.806 -17.184 1.00 52.32 O ATOM 0 H GLU A 43 -20.446 -0.805 -13.762 1.00 60.23 H new ATOM 0 HA GLU A 43 -17.974 -0.782 -12.386 1.00 63.15 H new ATOM 0 HB2 GLU A 43 -17.232 0.427 -14.295 1.00 4.50 H new ATOM 0 HB3 GLU A 43 -18.400 -0.751 -14.861 1.00 4.50 H new ATOM 0 HG2 GLU A 43 -20.115 1.274 -14.578 1.00 41.22 H new ATOM 0 HG3 GLU A 43 -18.664 2.250 -14.683 1.00 41.22 H new ATOM 684 N GLN A 44 -17.755 1.411 -11.167 1.00 12.10 N ATOM 685 CA GLN A 44 -17.449 2.747 -10.716 1.00 11.44 C ATOM 686 C GLN A 44 -15.950 2.847 -10.516 1.00 43.41 C ATOM 687 O GLN A 44 -15.341 1.882 -10.055 1.00 33.14 O ATOM 688 CB GLN A 44 -18.144 3.017 -9.378 1.00 24.02 C ATOM 689 CG GLN A 44 -18.223 4.531 -9.172 1.00 44.23 C ATOM 690 CD GLN A 44 -18.434 4.983 -7.756 1.00 1.54 C ATOM 691 OE1 GLN A 44 -19.348 5.750 -7.480 1.00 35.43 O ATOM 692 NE2 GLN A 44 -17.527 4.620 -6.870 1.00 42.10 N ATOM 0 H GLN A 44 -17.131 0.691 -10.802 1.00 12.10 H new ATOM 0 HA GLN A 44 -17.793 3.474 -11.452 1.00 11.44 H new ATOM 0 HB2 GLN A 44 -19.143 2.581 -9.375 1.00 24.02 H new ATOM 0 HB3 GLN A 44 -17.591 2.552 -8.562 1.00 24.02 H new ATOM 0 HG2 GLN A 44 -17.301 4.979 -9.544 1.00 44.23 H new ATOM 0 HG3 GLN A 44 -19.036 4.921 -9.784 1.00 44.23 H new ATOM 0 HE21 GLN A 44 -16.780 3.979 -7.138 1.00 42.10 H new ATOM 0 HE22 GLN A 44 -17.572 4.980 -5.917 1.00 42.10 H new ATOM 701 N THR A 45 -15.391 4.044 -10.687 1.00 15.21 N ATOM 702 CA THR A 45 -14.115 4.420 -10.114 1.00 4.43 C ATOM 703 C THR A 45 -14.227 5.696 -9.265 1.00 62.01 C ATOM 704 O THR A 45 -15.165 6.489 -9.398 1.00 14.45 O ATOM 705 CB THR A 45 -13.055 4.521 -11.211 1.00 33.20 C ATOM 706 OG1 THR A 45 -13.522 5.288 -12.299 1.00 21.42 O ATOM 707 CG2 THR A 45 -12.613 3.147 -11.714 1.00 34.12 C ATOM 0 H THR A 45 -15.824 4.786 -11.237 1.00 15.21 H new ATOM 0 HA THR A 45 -13.795 3.638 -9.425 1.00 4.43 H new ATOM 0 HB THR A 45 -12.193 5.015 -10.762 1.00 33.20 H new ATOM 0 HG1 THR A 45 -12.825 5.339 -12.986 1.00 21.42 H new ATOM 0 HG21 THR A 45 -11.860 3.269 -12.492 1.00 34.12 H new ATOM 0 HG22 THR A 45 -12.191 2.575 -10.887 1.00 34.12 H new ATOM 0 HG23 THR A 45 -13.473 2.615 -12.122 1.00 34.12 H new ATOM 715 N PHE A 46 -13.237 5.895 -8.396 1.00 11.33 N ATOM 716 CA PHE A 46 -13.017 7.054 -7.538 1.00 62.34 C ATOM 717 C PHE A 46 -11.580 7.534 -7.769 1.00 14.54 C ATOM 718 O PHE A 46 -10.743 6.736 -8.204 1.00 11.21 O ATOM 719 CB PHE A 46 -13.220 6.660 -6.058 1.00 43.32 C ATOM 720 CG PHE A 46 -14.457 7.252 -5.411 1.00 40.34 C ATOM 721 CD1 PHE A 46 -15.717 7.050 -6.000 1.00 11.25 C ATOM 722 CD2 PHE A 46 -14.358 7.994 -4.218 1.00 41.33 C ATOM 723 CE1 PHE A 46 -16.876 7.578 -5.406 1.00 34.12 C ATOM 724 CE2 PHE A 46 -15.520 8.528 -3.629 1.00 0.55 C ATOM 725 CZ PHE A 46 -16.777 8.318 -4.218 1.00 0.22 C ATOM 0 H PHE A 46 -12.510 5.191 -8.265 1.00 11.33 H new ATOM 0 HA PHE A 46 -13.724 7.849 -7.774 1.00 62.34 H new ATOM 0 HB2 PHE A 46 -13.275 5.574 -5.989 1.00 43.32 H new ATOM 0 HB3 PHE A 46 -12.344 6.972 -5.489 1.00 43.32 H new ATOM 0 HD1 PHE A 46 -15.795 6.484 -6.917 1.00 11.25 H new ATOM 0 HD2 PHE A 46 -13.394 8.153 -3.757 1.00 41.33 H new ATOM 0 HE1 PHE A 46 -17.841 7.415 -5.863 1.00 34.12 H new ATOM 0 HE2 PHE A 46 -15.444 9.103 -2.718 1.00 0.55 H new ATOM 0 HZ PHE A 46 -17.665 8.725 -3.758 1.00 0.22 H new ATOM 735 N PRO A 47 -11.278 8.812 -7.482 1.00 51.11 N ATOM 736 CA PRO A 47 -9.926 9.360 -7.553 1.00 62.34 C ATOM 737 C PRO A 47 -9.015 8.765 -6.462 1.00 53.52 C ATOM 738 O PRO A 47 -9.488 8.220 -5.462 1.00 75.24 O ATOM 739 CB PRO A 47 -10.099 10.878 -7.432 1.00 52.40 C ATOM 740 CG PRO A 47 -11.418 11.038 -6.674 1.00 41.30 C ATOM 741 CD PRO A 47 -12.239 9.837 -7.108 1.00 11.31 C ATOM 0 HA PRO A 47 -9.426 9.104 -8.487 1.00 62.34 H new ATOM 0 HB2 PRO A 47 -9.269 11.333 -6.891 1.00 52.40 H new ATOM 0 HB3 PRO A 47 -10.140 11.355 -8.411 1.00 52.40 H new ATOM 0 HG2 PRO A 47 -11.260 11.045 -5.595 1.00 41.30 H new ATOM 0 HG3 PRO A 47 -11.914 11.974 -6.930 1.00 41.30 H new ATOM 0 HD2 PRO A 47 -12.884 9.492 -6.300 1.00 11.31 H new ATOM 0 HD3 PRO A 47 -12.887 10.090 -7.947 1.00 11.31 H new ATOM 749 N PHE A 48 -7.697 8.862 -6.671 1.00 74.11 N ATOM 750 CA PHE A 48 -6.663 8.077 -5.997 1.00 24.21 C ATOM 751 C PHE A 48 -5.498 9.005 -5.645 1.00 62.42 C ATOM 752 O PHE A 48 -4.559 9.164 -6.429 1.00 72.34 O ATOM 753 CB PHE A 48 -6.158 6.919 -6.899 1.00 61.42 C ATOM 754 CG PHE A 48 -6.263 7.120 -8.408 1.00 22.23 C ATOM 755 CD1 PHE A 48 -7.523 7.136 -9.026 1.00 42.33 C ATOM 756 CD2 PHE A 48 -5.117 7.265 -9.206 1.00 32.01 C ATOM 757 CE1 PHE A 48 -7.648 7.355 -10.407 1.00 23.23 C ATOM 758 CE2 PHE A 48 -5.230 7.456 -10.595 1.00 44.21 C ATOM 759 CZ PHE A 48 -6.498 7.507 -11.196 1.00 61.21 C ATOM 0 H PHE A 48 -7.307 9.520 -7.346 1.00 74.11 H new ATOM 0 HA PHE A 48 -7.085 7.636 -5.094 1.00 24.21 H new ATOM 0 HB2 PHE A 48 -5.113 6.730 -6.654 1.00 61.42 H new ATOM 0 HB3 PHE A 48 -6.714 6.019 -6.638 1.00 61.42 H new ATOM 0 HD1 PHE A 48 -8.410 6.977 -8.430 1.00 42.33 H new ATOM 0 HD2 PHE A 48 -4.139 7.230 -8.749 1.00 32.01 H new ATOM 0 HE1 PHE A 48 -8.627 7.406 -10.861 1.00 23.23 H new ATOM 0 HE2 PHE A 48 -4.341 7.563 -11.199 1.00 44.21 H new ATOM 0 HZ PHE A 48 -6.588 7.663 -12.261 1.00 61.21 H new ATOM 769 N THR A 49 -5.564 9.655 -4.489 1.00 41.10 N ATOM 770 CA THR A 49 -4.695 10.767 -4.120 1.00 1.24 C ATOM 771 C THR A 49 -3.925 10.447 -2.834 1.00 54.53 C ATOM 772 O THR A 49 -4.033 9.338 -2.298 1.00 35.12 O ATOM 773 CB THR A 49 -5.573 12.027 -4.014 1.00 41.43 C ATOM 774 OG1 THR A 49 -6.704 11.760 -3.207 1.00 14.51 O ATOM 775 CG2 THR A 49 -6.047 12.467 -5.403 1.00 74.22 C ATOM 0 H THR A 49 -6.241 9.417 -3.764 1.00 41.10 H new ATOM 0 HA THR A 49 -3.929 10.943 -4.876 1.00 1.24 H new ATOM 0 HB THR A 49 -4.978 12.823 -3.566 1.00 41.43 H new ATOM 0 HG1 THR A 49 -7.257 12.566 -3.142 1.00 14.51 H new ATOM 0 HG21 THR A 49 -6.667 13.359 -5.310 1.00 74.22 H new ATOM 0 HG22 THR A 49 -5.183 12.689 -6.029 1.00 74.22 H new ATOM 0 HG23 THR A 49 -6.629 11.667 -5.859 1.00 74.22 H new ATOM 783 N ARG A 50 -3.136 11.409 -2.330 1.00 44.21 N ATOM 784 CA ARG A 50 -2.437 11.256 -1.049 1.00 72.44 C ATOM 785 C ARG A 50 -3.425 11.029 0.099 1.00 53.10 C ATOM 786 O ARG A 50 -3.091 10.362 1.074 1.00 23.24 O ATOM 787 CB ARG A 50 -1.552 12.488 -0.789 1.00 21.12 C ATOM 788 CG ARG A 50 -0.533 12.200 0.326 1.00 71.20 C ATOM 789 CD ARG A 50 0.496 13.315 0.510 1.00 63.33 C ATOM 790 NE ARG A 50 -0.057 14.480 1.218 1.00 54.10 N ATOM 791 CZ ARG A 50 0.673 15.380 1.888 1.00 20.41 C ATOM 792 NH1 ARG A 50 2.001 15.314 1.891 1.00 62.21 N ATOM 793 NH2 ARG A 50 0.064 16.356 2.539 1.00 63.44 N ATOM 0 H ARG A 50 -2.967 12.302 -2.793 1.00 44.21 H new ATOM 0 HA ARG A 50 -1.800 10.373 -1.102 1.00 72.44 H new ATOM 0 HB2 ARG A 50 -1.029 12.766 -1.704 1.00 21.12 H new ATOM 0 HB3 ARG A 50 -2.175 13.337 -0.508 1.00 21.12 H new ATOM 0 HG2 ARG A 50 -1.066 12.049 1.265 1.00 71.20 H new ATOM 0 HG3 ARG A 50 -0.013 11.269 0.101 1.00 71.20 H new ATOM 0 HD2 ARG A 50 1.351 12.928 1.065 1.00 63.33 H new ATOM 0 HD3 ARG A 50 0.866 13.629 -0.466 1.00 63.33 H new ATOM 0 HE ARG A 50 -1.068 14.611 1.197 1.00 54.10 H new ATOM 0 HH11 ARG A 50 2.476 14.571 1.378 1.00 62.21 H new ATOM 0 HH12 ARG A 50 2.545 16.006 2.406 1.00 62.21 H new ATOM 0 HH21 ARG A 50 -0.954 16.419 2.528 1.00 63.44 H new ATOM 0 HH22 ARG A 50 0.612 17.046 3.052 1.00 63.44 H new ATOM 807 N GLU A 51 -4.655 11.516 -0.051 1.00 75.20 N ATOM 808 CA GLU A 51 -5.765 11.468 0.897 1.00 24.41 C ATOM 809 C GLU A 51 -6.239 10.044 1.246 1.00 41.54 C ATOM 810 O GLU A 51 -7.243 9.891 1.934 1.00 54.52 O ATOM 811 CB GLU A 51 -6.934 12.252 0.265 1.00 52.30 C ATOM 812 CG GLU A 51 -7.766 13.001 1.311 1.00 53.12 C ATOM 813 CD GLU A 51 -7.141 14.365 1.586 1.00 31.34 C ATOM 814 OE1 GLU A 51 -6.044 14.405 2.179 1.00 34.33 O ATOM 815 OE2 GLU A 51 -7.710 15.385 1.129 1.00 22.33 O ATOM 0 H GLU A 51 -4.923 11.994 -0.911 1.00 75.20 H new ATOM 0 HA GLU A 51 -5.420 11.900 1.836 1.00 24.41 H new ATOM 0 HB2 GLU A 51 -6.541 12.964 -0.461 1.00 52.30 H new ATOM 0 HB3 GLU A 51 -7.577 11.562 -0.282 1.00 52.30 H new ATOM 0 HG2 GLU A 51 -8.789 13.124 0.955 1.00 53.12 H new ATOM 0 HG3 GLU A 51 -7.816 12.421 2.233 1.00 53.12 H new ATOM 822 N LYS A 52 -5.622 8.989 0.706 1.00 55.11 N ATOM 823 CA LYS A 52 -6.189 7.638 0.671 1.00 73.31 C ATOM 824 C LYS A 52 -5.121 6.622 1.075 1.00 15.23 C ATOM 825 O LYS A 52 -5.302 5.412 0.924 1.00 64.32 O ATOM 826 CB LYS A 52 -6.782 7.365 -0.723 1.00 2.54 C ATOM 827 CG LYS A 52 -7.579 8.577 -1.244 1.00 53.14 C ATOM 828 CD LYS A 52 -8.380 8.287 -2.499 1.00 51.22 C ATOM 829 CE LYS A 52 -9.675 7.522 -2.288 1.00 33.44 C ATOM 830 NZ LYS A 52 -10.655 8.262 -1.457 1.00 44.30 N ATOM 0 H LYS A 52 -4.700 9.051 0.274 1.00 55.11 H new ATOM 0 HA LYS A 52 -7.004 7.545 1.389 1.00 73.31 H new ATOM 0 HB2 LYS A 52 -5.979 7.129 -1.421 1.00 2.54 H new ATOM 0 HB3 LYS A 52 -7.433 6.492 -0.678 1.00 2.54 H new ATOM 0 HG2 LYS A 52 -8.257 8.918 -0.462 1.00 53.14 H new ATOM 0 HG3 LYS A 52 -6.888 9.395 -1.446 1.00 53.14 H new ATOM 0 HD2 LYS A 52 -8.613 9.234 -2.987 1.00 51.22 H new ATOM 0 HD3 LYS A 52 -7.752 7.721 -3.187 1.00 51.22 H new ATOM 0 HE2 LYS A 52 -10.122 7.301 -3.257 1.00 33.44 H new ATOM 0 HE3 LYS A 52 -9.453 6.566 -1.814 1.00 33.44 H new ATOM 0 HZ1 LYS A 52 -11.582 7.793 -1.513 1.00 44.30 H new ATOM 0 HZ2 LYS A 52 -10.333 8.274 -0.468 1.00 44.30 H new ATOM 0 HZ3 LYS A 52 -10.739 9.238 -1.806 1.00 44.30 H new ATOM 844 N TRP A 53 -3.963 7.109 1.527 1.00 34.42 N ATOM 845 CA TRP A 53 -2.879 6.260 1.961 1.00 63.44 C ATOM 846 C TRP A 53 -3.224 5.665 3.329 1.00 0.42 C ATOM 847 O TRP A 53 -3.794 6.353 4.180 1.00 71.15 O ATOM 848 CB TRP A 53 -1.589 7.078 2.023 1.00 42.32 C ATOM 849 CG TRP A 53 -0.355 6.268 2.269 1.00 54.54 C ATOM 850 CD1 TRP A 53 0.296 6.180 3.448 1.00 3.40 C ATOM 851 CD2 TRP A 53 0.341 5.361 1.360 1.00 74.34 C ATOM 852 NE1 TRP A 53 1.333 5.275 3.331 1.00 55.12 N ATOM 853 CE2 TRP A 53 1.392 4.719 2.076 1.00 71.15 C ATOM 854 CE3 TRP A 53 0.179 4.995 0.007 1.00 20.10 C ATOM 855 CZ2 TRP A 53 2.216 3.740 1.499 1.00 74.15 C ATOM 856 CZ3 TRP A 53 1.017 4.032 -0.589 1.00 72.02 C ATOM 857 CH2 TRP A 53 2.027 3.392 0.152 1.00 63.01 C ATOM 0 H TRP A 53 -3.762 8.106 1.598 1.00 34.42 H new ATOM 0 HA TRP A 53 -2.732 5.442 1.256 1.00 63.44 H new ATOM 0 HB2 TRP A 53 -1.472 7.621 1.085 1.00 42.32 H new ATOM 0 HB3 TRP A 53 -1.683 7.823 2.813 1.00 42.32 H new ATOM 0 HD1 TRP A 53 0.045 6.731 4.343 1.00 3.40 H new ATOM 0 HE1 TRP A 53 1.979 5.047 4.087 1.00 55.12 H new ATOM 0 HE3 TRP A 53 -0.599 5.460 -0.580 1.00 20.10 H new ATOM 0 HZ2 TRP A 53 2.986 3.260 2.084 1.00 74.15 H new ATOM 0 HZ3 TRP A 53 0.882 3.781 -1.631 1.00 72.02 H new ATOM 0 HH2 TRP A 53 2.650 2.641 -0.310 1.00 63.01 H new ATOM 868 N ALA A 54 -2.838 4.416 3.564 1.00 20.42 N ATOM 869 CA ALA A 54 -2.767 3.825 4.894 1.00 64.05 C ATOM 870 C ALA A 54 -1.285 3.597 5.155 1.00 2.22 C ATOM 871 O ALA A 54 -0.601 3.154 4.232 1.00 61.45 O ATOM 872 CB ALA A 54 -3.532 2.506 4.929 1.00 20.34 C ATOM 0 H ALA A 54 -2.561 3.774 2.821 1.00 20.42 H new ATOM 0 HA ALA A 54 -3.214 4.468 5.652 1.00 64.05 H new ATOM 0 HB1 ALA A 54 -3.470 2.076 5.929 1.00 20.34 H new ATOM 0 HB2 ALA A 54 -4.577 2.684 4.675 1.00 20.34 H new ATOM 0 HB3 ALA A 54 -3.096 1.814 4.209 1.00 20.34 H new ATOM 878 N LEU A 55 -0.786 3.932 6.343 1.00 60.45 N ATOM 879 CA LEU A 55 0.613 3.755 6.721 1.00 51.21 C ATOM 880 C LEU A 55 0.911 2.278 6.984 1.00 64.35 C ATOM 881 O LEU A 55 0.009 1.439 7.072 1.00 54.25 O ATOM 882 CB LEU A 55 0.960 4.641 7.944 1.00 14.13 C ATOM 883 CG LEU A 55 0.858 6.161 7.683 1.00 62.32 C ATOM 884 CD1 LEU A 55 0.939 6.996 8.961 1.00 53.23 C ATOM 885 CD2 LEU A 55 1.968 6.661 6.748 1.00 13.53 C ATOM 0 H LEU A 55 -1.355 4.342 7.084 1.00 60.45 H new ATOM 0 HA LEU A 55 1.248 4.076 5.895 1.00 51.21 H new ATOM 0 HB2 LEU A 55 0.293 4.381 8.766 1.00 14.13 H new ATOM 0 HB3 LEU A 55 1.974 4.408 8.270 1.00 14.13 H new ATOM 0 HG LEU A 55 -0.121 6.291 7.223 1.00 62.32 H new ATOM 0 HD11 LEU A 55 0.861 8.054 8.710 1.00 53.23 H new ATOM 0 HD12 LEU A 55 0.122 6.720 9.628 1.00 53.23 H new ATOM 0 HD13 LEU A 55 1.891 6.810 9.457 1.00 53.23 H new ATOM 0 HD21 LEU A 55 1.857 7.734 6.593 1.00 13.53 H new ATOM 0 HD22 LEU A 55 2.940 6.458 7.197 1.00 13.53 H new ATOM 0 HD23 LEU A 55 1.896 6.146 5.790 1.00 13.53 H new ATOM 897 N LEU A 56 2.202 1.954 7.012 1.00 75.21 N ATOM 898 CA LEU A 56 2.709 0.589 6.995 1.00 42.31 C ATOM 899 C LEU A 56 3.766 0.388 8.090 1.00 12.30 C ATOM 900 O LEU A 56 4.710 1.188 8.156 1.00 1.44 O ATOM 901 CB LEU A 56 3.419 0.435 5.658 1.00 71.12 C ATOM 902 CG LEU A 56 2.651 0.217 4.361 1.00 74.45 C ATOM 903 CD1 LEU A 56 2.146 -1.212 4.185 1.00 15.34 C ATOM 904 CD2 LEU A 56 1.568 1.184 4.000 1.00 33.03 C ATOM 0 H LEU A 56 2.942 2.655 7.048 1.00 75.21 H new ATOM 0 HA LEU A 56 1.897 -0.121 7.150 1.00 42.31 H new ATOM 0 HB2 LEU A 56 4.026 1.330 5.518 1.00 71.12 H new ATOM 0 HB3 LEU A 56 4.107 -0.404 5.761 1.00 71.12 H new ATOM 0 HG LEU A 56 3.446 0.429 3.646 1.00 74.45 H new ATOM 0 HD11 LEU A 56 1.609 -1.294 3.240 1.00 15.34 H new ATOM 0 HD12 LEU A 56 2.992 -1.899 4.182 1.00 15.34 H new ATOM 0 HD13 LEU A 56 1.476 -1.465 5.007 1.00 15.34 H new ATOM 0 HD21 LEU A 56 1.120 0.890 3.051 1.00 33.03 H new ATOM 0 HD22 LEU A 56 0.805 1.182 4.778 1.00 33.03 H new ATOM 0 HD23 LEU A 56 1.990 2.185 3.908 1.00 33.03 H new ATOM 916 N ASP A 57 3.694 -0.713 8.843 1.00 2.24 N ATOM 917 CA ASP A 57 4.629 -1.074 9.914 1.00 74.32 C ATOM 918 C ASP A 57 5.782 -1.904 9.328 1.00 21.31 C ATOM 919 O ASP A 57 5.863 -2.139 8.113 1.00 20.34 O ATOM 920 CB ASP A 57 3.948 -1.846 11.073 1.00 3.30 C ATOM 921 CG ASP A 57 2.617 -1.276 11.582 1.00 12.22 C ATOM 922 OD1 ASP A 57 1.577 -1.625 10.976 1.00 60.43 O ATOM 923 OD2 ASP A 57 2.587 -0.571 12.626 1.00 22.41 O ATOM 0 H ASP A 57 2.955 -1.405 8.719 1.00 2.24 H new ATOM 0 HA ASP A 57 5.011 -0.146 10.340 1.00 74.32 H new ATOM 0 HB2 ASP A 57 3.778 -2.872 10.747 1.00 3.30 H new ATOM 0 HB3 ASP A 57 4.644 -1.889 11.911 1.00 3.30 H new ATOM 928 N GLU A 58 6.722 -2.332 10.178 1.00 1.13 N ATOM 929 CA GLU A 58 7.906 -3.056 9.734 1.00 21.10 C ATOM 930 C GLU A 58 7.603 -4.485 9.296 1.00 35.31 C ATOM 931 O GLU A 58 8.150 -4.953 8.294 1.00 3.54 O ATOM 932 CB GLU A 58 9.067 -2.980 10.721 1.00 64.14 C ATOM 933 CG GLU A 58 8.779 -3.559 12.102 1.00 51.23 C ATOM 934 CD GLU A 58 10.065 -3.828 12.895 1.00 73.51 C ATOM 935 OE1 GLU A 58 11.038 -4.344 12.300 1.00 71.31 O ATOM 936 OE2 GLU A 58 10.101 -3.533 14.118 1.00 44.05 O ATOM 0 H GLU A 58 6.679 -2.185 11.186 1.00 1.13 H new ATOM 0 HA GLU A 58 8.243 -2.531 8.840 1.00 21.10 H new ATOM 0 HB2 GLU A 58 9.921 -3.505 10.294 1.00 64.14 H new ATOM 0 HB3 GLU A 58 9.359 -1.936 10.835 1.00 64.14 H new ATOM 0 HG2 GLU A 58 8.148 -2.868 12.660 1.00 51.23 H new ATOM 0 HG3 GLU A 58 8.218 -4.488 11.996 1.00 51.23 H new ATOM 943 N GLU A 59 6.716 -5.163 10.015 1.00 1.54 N ATOM 944 CA GLU A 59 6.202 -6.474 9.658 1.00 51.51 C ATOM 945 C GLU A 59 5.308 -6.421 8.418 1.00 22.04 C ATOM 946 O GLU A 59 5.029 -7.472 7.839 1.00 55.23 O ATOM 947 CB GLU A 59 5.463 -7.134 10.839 1.00 64.52 C ATOM 948 CG GLU A 59 4.261 -6.346 11.388 1.00 53.24 C ATOM 949 CD GLU A 59 4.638 -5.463 12.581 1.00 11.44 C ATOM 950 OE1 GLU A 59 5.438 -4.519 12.388 1.00 35.50 O ATOM 951 OE2 GLU A 59 4.167 -5.765 13.703 1.00 2.32 O ATOM 0 H GLU A 59 6.326 -4.803 10.886 1.00 1.54 H new ATOM 0 HA GLU A 59 7.065 -7.093 9.413 1.00 51.51 H new ATOM 0 HB2 GLU A 59 5.117 -8.119 10.525 1.00 64.52 H new ATOM 0 HB3 GLU A 59 6.175 -7.290 11.650 1.00 64.52 H new ATOM 0 HG2 GLU A 59 3.846 -5.723 10.596 1.00 53.24 H new ATOM 0 HG3 GLU A 59 3.479 -7.044 11.688 1.00 53.24 H new ATOM 958 N THR A 60 4.865 -5.240 7.987 1.00 35.40 N ATOM 959 CA THR A 60 3.927 -5.134 6.888 1.00 63.33 C ATOM 960 C THR A 60 4.643 -5.348 5.555 1.00 40.21 C ATOM 961 O THR A 60 4.263 -6.251 4.807 1.00 74.42 O ATOM 962 CB THR A 60 3.176 -3.800 6.959 1.00 44.15 C ATOM 963 OG1 THR A 60 2.877 -3.440 8.288 1.00 4.22 O ATOM 964 CG2 THR A 60 1.866 -3.909 6.192 1.00 75.42 C ATOM 0 H THR A 60 5.146 -4.345 8.389 1.00 35.40 H new ATOM 0 HA THR A 60 3.177 -5.921 6.969 1.00 63.33 H new ATOM 0 HB THR A 60 3.823 -3.038 6.523 1.00 44.15 H new ATOM 0 HG1 THR A 60 1.978 -3.053 8.328 1.00 4.22 H new ATOM 0 HG21 THR A 60 1.334 -2.959 6.244 1.00 75.42 H new ATOM 0 HG22 THR A 60 2.074 -4.152 5.150 1.00 75.42 H new ATOM 0 HG23 THR A 60 1.251 -4.694 6.632 1.00 75.42 H new ATOM 972 N LEU A 61 5.692 -4.571 5.242 1.00 43.11 N ATOM 973 CA LEU A 61 6.389 -4.711 3.949 1.00 64.14 C ATOM 974 C LEU A 61 7.379 -5.892 3.937 1.00 44.11 C ATOM 975 O LEU A 61 8.454 -5.800 3.336 1.00 71.14 O ATOM 976 CB LEU A 61 7.055 -3.397 3.465 1.00 32.12 C ATOM 977 CG LEU A 61 6.192 -2.302 2.806 1.00 72.24 C ATOM 978 CD1 LEU A 61 5.071 -2.803 1.887 1.00 51.43 C ATOM 979 CD2 LEU A 61 5.640 -1.360 3.857 1.00 51.35 C ATOM 0 H LEU A 61 6.073 -3.850 5.854 1.00 43.11 H new ATOM 0 HA LEU A 61 5.608 -4.940 3.224 1.00 64.14 H new ATOM 0 HB2 LEU A 61 7.551 -2.947 4.325 1.00 32.12 H new ATOM 0 HB3 LEU A 61 7.835 -3.670 2.754 1.00 32.12 H new ATOM 0 HG LEU A 61 6.875 -1.773 2.141 1.00 72.24 H new ATOM 0 HD11 LEU A 61 4.528 -1.951 1.478 1.00 51.43 H new ATOM 0 HD12 LEU A 61 5.501 -3.385 1.072 1.00 51.43 H new ATOM 0 HD13 LEU A 61 4.386 -3.430 2.457 1.00 51.43 H new ATOM 0 HD21 LEU A 61 5.033 -0.593 3.376 1.00 51.35 H new ATOM 0 HD22 LEU A 61 5.025 -1.921 4.561 1.00 51.35 H new ATOM 0 HD23 LEU A 61 6.464 -0.888 4.391 1.00 51.35 H new ATOM 991 N LYS A 62 7.064 -7.004 4.605 1.00 75.24 N ATOM 992 CA LYS A 62 8.012 -8.086 4.832 1.00 75.35 C ATOM 993 C LYS A 62 7.767 -9.278 3.922 1.00 31.13 C ATOM 994 O LYS A 62 6.630 -9.650 3.632 1.00 74.24 O ATOM 995 CB LYS A 62 7.921 -8.558 6.276 1.00 3.20 C ATOM 996 CG LYS A 62 9.201 -8.293 7.057 1.00 22.22 C ATOM 997 CD LYS A 62 9.171 -9.097 8.363 1.00 40.41 C ATOM 998 CE LYS A 62 10.434 -8.831 9.173 1.00 60.23 C ATOM 999 NZ LYS A 62 11.648 -9.324 8.493 1.00 0.41 N ATOM 0 H LYS A 62 6.141 -7.175 5.003 1.00 75.24 H new ATOM 0 HA LYS A 62 9.002 -7.687 4.612 1.00 75.35 H new ATOM 0 HB2 LYS A 62 7.088 -8.055 6.768 1.00 3.20 H new ATOM 0 HB3 LYS A 62 7.703 -9.626 6.293 1.00 3.20 H new ATOM 0 HG2 LYS A 62 10.069 -8.576 6.462 1.00 22.22 H new ATOM 0 HG3 LYS A 62 9.295 -7.229 7.273 1.00 22.22 H new ATOM 0 HD2 LYS A 62 8.292 -8.824 8.947 1.00 40.41 H new ATOM 0 HD3 LYS A 62 9.089 -10.161 8.142 1.00 40.41 H new ATOM 0 HE2 LYS A 62 10.530 -7.760 9.352 1.00 60.23 H new ATOM 0 HE3 LYS A 62 10.346 -9.311 10.148 1.00 60.23 H new ATOM 0 HZ1 LYS A 62 12.448 -9.309 9.157 1.00 0.41 H new ATOM 0 HZ2 LYS A 62 11.490 -10.298 8.164 1.00 0.41 H new ATOM 0 HZ3 LYS A 62 11.862 -8.713 7.679 1.00 0.41 H new ATOM 1013 N GLU A 63 8.848 -9.962 3.586 1.00 41.43 N ATOM 1014 CA GLU A 63 8.829 -11.082 2.652 1.00 2.20 C ATOM 1015 C GLU A 63 8.702 -12.407 3.414 1.00 11.44 C ATOM 1016 O GLU A 63 9.607 -12.760 4.180 1.00 71.44 O ATOM 1017 CB GLU A 63 10.065 -11.087 1.734 1.00 4.51 C ATOM 1018 CG GLU A 63 10.482 -9.710 1.186 1.00 12.12 C ATOM 1019 CD GLU A 63 11.860 -9.241 1.685 1.00 55.45 C ATOM 1020 OE1 GLU A 63 12.154 -9.256 2.901 1.00 12.40 O ATOM 1021 OE2 GLU A 63 12.691 -8.837 0.834 1.00 54.11 O ATOM 0 H GLU A 63 9.775 -9.755 3.957 1.00 41.43 H new ATOM 0 HA GLU A 63 7.957 -10.964 2.009 1.00 2.20 H new ATOM 0 HB2 GLU A 63 10.905 -11.510 2.285 1.00 4.51 H new ATOM 0 HB3 GLU A 63 9.869 -11.751 0.892 1.00 4.51 H new ATOM 0 HG2 GLU A 63 10.493 -9.750 0.097 1.00 12.12 H new ATOM 0 HG3 GLU A 63 9.731 -8.972 1.470 1.00 12.12 H new ATOM 1028 N GLY A 64 7.606 -13.139 3.203 1.00 32.02 N ATOM 1029 CA GLY A 64 7.357 -14.480 3.714 1.00 63.15 C ATOM 1030 C GLY A 64 5.867 -14.831 3.659 1.00 52.33 C ATOM 1031 O GLY A 64 5.066 -14.123 3.046 1.00 44.35 O ATOM 0 H GLY A 64 6.830 -12.790 2.641 1.00 32.02 H new ATOM 0 HA2 GLY A 64 7.925 -15.205 3.130 1.00 63.15 H new ATOM 0 HA3 GLY A 64 7.711 -14.551 4.742 1.00 63.15 H new ATOM 1035 N ARG A 65 5.501 -15.953 4.277 1.00 1.43 N ATOM 1036 CA ARG A 65 4.130 -16.436 4.442 1.00 61.41 C ATOM 1037 C ARG A 65 3.792 -16.435 5.932 1.00 41.52 C ATOM 1038 O ARG A 65 4.701 -16.566 6.763 1.00 34.22 O ATOM 1039 CB ARG A 65 4.012 -17.866 3.893 1.00 54.42 C ATOM 1040 CG ARG A 65 4.301 -17.934 2.388 1.00 13.51 C ATOM 1041 CD ARG A 65 4.238 -19.374 1.875 1.00 21.14 C ATOM 1042 NE ARG A 65 5.391 -20.169 2.339 1.00 21.33 N ATOM 1043 CZ ARG A 65 6.617 -20.204 1.800 1.00 74.23 C ATOM 1044 NH1 ARG A 65 6.906 -19.502 0.710 1.00 42.42 N ATOM 1045 NH2 ARG A 65 7.553 -20.949 2.378 1.00 12.30 N ATOM 0 H ARG A 65 6.186 -16.581 4.697 1.00 1.43 H new ATOM 0 HA ARG A 65 3.441 -15.790 3.898 1.00 61.41 H new ATOM 0 HB2 ARG A 65 4.707 -18.516 4.425 1.00 54.42 H new ATOM 0 HB3 ARG A 65 3.009 -18.246 4.086 1.00 54.42 H new ATOM 0 HG2 ARG A 65 3.578 -17.321 1.849 1.00 13.51 H new ATOM 0 HG3 ARG A 65 5.287 -17.516 2.186 1.00 13.51 H new ATOM 0 HD2 ARG A 65 3.314 -19.841 2.214 1.00 21.14 H new ATOM 0 HD3 ARG A 65 4.212 -19.371 0.785 1.00 21.14 H new ATOM 0 HE ARG A 65 5.238 -20.756 3.159 1.00 21.33 H new ATOM 0 HH11 ARG A 65 6.189 -18.925 0.270 1.00 42.42 H new ATOM 0 HH12 ARG A 65 7.845 -19.540 0.313 1.00 42.42 H new ATOM 0 HH21 ARG A 65 7.333 -21.483 3.219 1.00 12.30 H new ATOM 0 HH22 ARG A 65 8.492 -20.987 1.981 1.00 12.30 H new ATOM 1059 N THR A 66 2.510 -16.398 6.264 1.00 63.21 N ATOM 1060 CA THR A 66 1.966 -16.479 7.614 1.00 11.53 C ATOM 1061 C THR A 66 0.850 -17.529 7.604 1.00 11.42 C ATOM 1062 O THR A 66 0.391 -17.926 6.532 1.00 61.34 O ATOM 1063 CB THR A 66 1.482 -15.069 8.008 1.00 23.11 C ATOM 1064 OG1 THR A 66 2.582 -14.174 7.992 1.00 23.20 O ATOM 1065 CG2 THR A 66 0.832 -14.939 9.386 1.00 60.33 C ATOM 0 H THR A 66 1.779 -16.305 5.559 1.00 63.21 H new ATOM 0 HA THR A 66 2.700 -16.791 8.357 1.00 11.53 H new ATOM 0 HB THR A 66 0.711 -14.839 7.272 1.00 23.11 H new ATOM 0 HG1 THR A 66 2.277 -13.276 8.240 1.00 23.20 H new ATOM 0 HG21 THR A 66 0.533 -13.904 9.551 1.00 60.33 H new ATOM 0 HG22 THR A 66 -0.046 -15.583 9.436 1.00 60.33 H new ATOM 0 HG23 THR A 66 1.545 -15.237 10.154 1.00 60.33 H new ATOM 1146 N THR A 73 -3.594 -19.051 4.998 1.00 61.12 N ATOM 1147 CA THR A 73 -2.190 -18.805 4.712 1.00 20.02 C ATOM 1148 C THR A 73 -2.058 -17.496 3.931 1.00 4.11 C ATOM 1149 O THR A 73 -2.466 -17.425 2.769 1.00 43.12 O ATOM 1150 CB THR A 73 -1.635 -20.022 3.958 1.00 21.03 C ATOM 1151 OG1 THR A 73 -1.717 -21.143 4.824 1.00 34.44 O ATOM 1152 CG2 THR A 73 -0.185 -19.851 3.494 1.00 73.03 C ATOM 0 HA THR A 73 -1.604 -18.685 5.623 1.00 20.02 H new ATOM 0 HB THR A 73 -2.231 -20.151 3.055 1.00 21.03 H new ATOM 0 HG1 THR A 73 -2.535 -21.083 5.360 1.00 34.44 H new ATOM 0 HG21 THR A 73 0.138 -20.750 2.969 1.00 73.03 H new ATOM 0 HG22 THR A 73 -0.116 -18.995 2.823 1.00 73.03 H new ATOM 0 HG23 THR A 73 0.457 -19.686 4.359 1.00 73.03 H new ATOM 1160 N TYR A 74 -1.519 -16.454 4.567 1.00 41.45 N ATOM 1161 CA TYR A 74 -1.154 -15.208 3.903 1.00 11.41 C ATOM 1162 C TYR A 74 0.220 -15.364 3.263 1.00 55.11 C ATOM 1163 O TYR A 74 1.076 -16.086 3.782 1.00 20.23 O ATOM 1164 CB TYR A 74 -1.089 -14.075 4.933 1.00 52.33 C ATOM 1165 CG TYR A 74 -0.986 -12.655 4.407 1.00 35.03 C ATOM 1166 CD1 TYR A 74 -1.783 -12.227 3.328 1.00 2.21 C ATOM 1167 CD2 TYR A 74 -0.152 -11.732 5.069 1.00 73.44 C ATOM 1168 CE1 TYR A 74 -1.754 -10.886 2.911 1.00 4.51 C ATOM 1169 CE2 TYR A 74 -0.144 -10.380 4.678 1.00 41.23 C ATOM 1170 CZ TYR A 74 -0.971 -9.950 3.617 1.00 1.34 C ATOM 1171 OH TYR A 74 -1.066 -8.631 3.310 1.00 42.52 O ATOM 0 H TYR A 74 -1.323 -16.455 5.568 1.00 41.45 H new ATOM 0 HA TYR A 74 -1.900 -14.974 3.143 1.00 11.41 H new ATOM 0 HB2 TYR A 74 -1.979 -14.138 5.559 1.00 52.33 H new ATOM 0 HB3 TYR A 74 -0.231 -14.257 5.580 1.00 52.33 H new ATOM 0 HD1 TYR A 74 -2.420 -12.934 2.818 1.00 2.21 H new ATOM 0 HD2 TYR A 74 0.482 -12.063 5.878 1.00 73.44 H new ATOM 0 HE1 TYR A 74 -2.330 -10.573 2.052 1.00 4.51 H new ATOM 0 HE2 TYR A 74 0.493 -9.673 5.188 1.00 41.23 H new ATOM 0 HH TYR A 74 -0.463 -8.117 3.887 1.00 42.52 H new ATOM 1181 N ILE A 75 0.464 -14.646 2.172 1.00 2.31 N ATOM 1182 CA ILE A 75 1.723 -14.550 1.476 1.00 62.43 C ATOM 1183 C ILE A 75 1.956 -13.069 1.230 1.00 60.05 C ATOM 1184 O ILE A 75 1.047 -12.357 0.811 1.00 52.12 O ATOM 1185 CB ILE A 75 1.632 -15.317 0.145 1.00 20.10 C ATOM 1186 CG1 ILE A 75 1.127 -16.759 0.336 1.00 20.22 C ATOM 1187 CG2 ILE A 75 3.014 -15.337 -0.528 1.00 44.13 C ATOM 1188 CD1 ILE A 75 -0.383 -16.939 0.250 1.00 40.52 C ATOM 0 H ILE A 75 -0.264 -14.084 1.730 1.00 2.31 H new ATOM 0 HA ILE A 75 2.544 -14.982 2.049 1.00 62.43 H new ATOM 0 HB ILE A 75 0.910 -14.800 -0.487 1.00 20.10 H new ATOM 0 HG12 ILE A 75 1.595 -17.393 -0.417 1.00 20.22 H new ATOM 0 HG13 ILE A 75 1.464 -17.118 1.308 1.00 20.22 H new ATOM 0 HG21 ILE A 75 2.952 -15.880 -1.471 1.00 44.13 H new ATOM 0 HG22 ILE A 75 3.341 -14.315 -0.719 1.00 44.13 H new ATOM 0 HG23 ILE A 75 3.731 -15.831 0.128 1.00 44.13 H new ATOM 0 HD11 ILE A 75 -0.633 -17.990 0.398 1.00 40.52 H new ATOM 0 HD12 ILE A 75 -0.865 -16.339 1.021 1.00 40.52 H new ATOM 0 HD13 ILE A 75 -0.732 -16.618 -0.731 1.00 40.52 H new ATOM 1200 N SER A 76 3.178 -12.604 1.464 1.00 71.33 N ATOM 1201 CA SER A 76 3.586 -11.227 1.271 1.00 75.45 C ATOM 1202 C SER A 76 5.013 -11.301 0.737 1.00 42.13 C ATOM 1203 O SER A 76 5.870 -11.904 1.385 1.00 13.51 O ATOM 1204 CB SER A 76 3.460 -10.518 2.632 1.00 62.02 C ATOM 1205 OG SER A 76 3.295 -9.118 2.519 1.00 32.10 O ATOM 0 H SER A 76 3.933 -13.199 1.804 1.00 71.33 H new ATOM 0 HA SER A 76 2.981 -10.658 0.565 1.00 75.45 H new ATOM 0 HB2 SER A 76 2.611 -10.935 3.174 1.00 62.02 H new ATOM 0 HB3 SER A 76 4.350 -10.725 3.226 1.00 62.02 H new ATOM 0 HG SER A 76 4.120 -8.718 2.172 1.00 32.10 H new ATOM 1211 N HIS A 77 5.289 -10.790 -0.462 1.00 71.24 N ATOM 1212 CA HIS A 77 6.637 -10.787 -1.026 1.00 11.10 C ATOM 1213 C HIS A 77 6.747 -9.689 -2.085 1.00 15.14 C ATOM 1214 O HIS A 77 5.903 -8.794 -2.138 1.00 20.22 O ATOM 1215 CB HIS A 77 7.063 -12.203 -1.501 1.00 75.32 C ATOM 1216 CG HIS A 77 6.114 -13.051 -2.330 1.00 0.44 C ATOM 1217 ND1 HIS A 77 6.299 -14.401 -2.559 1.00 0.53 N ATOM 1218 CD2 HIS A 77 4.953 -12.689 -2.970 1.00 20.04 C ATOM 1219 CE1 HIS A 77 5.275 -14.842 -3.303 1.00 3.12 C ATOM 1220 NE2 HIS A 77 4.448 -13.830 -3.598 1.00 60.13 N ATOM 0 H HIS A 77 4.586 -10.367 -1.068 1.00 71.24 H new ATOM 0 HA HIS A 77 7.365 -10.540 -0.253 1.00 11.10 H new ATOM 0 HB2 HIS A 77 7.980 -12.087 -2.078 1.00 75.32 H new ATOM 0 HB3 HIS A 77 7.317 -12.779 -0.611 1.00 75.32 H new ATOM 0 HD2 HIS A 77 4.512 -11.703 -2.985 1.00 20.04 H new ATOM 0 HE1 HIS A 77 5.137 -15.865 -3.619 1.00 3.12 H new ATOM 0 HE2 HIS A 77 3.607 -13.883 -4.173 1.00 60.13 H new ATOM 1228 N PHE A 78 7.814 -9.722 -2.881 1.00 23.10 N ATOM 1229 CA PHE A 78 7.910 -8.986 -4.134 1.00 14.24 C ATOM 1230 C PHE A 78 8.018 -9.975 -5.295 1.00 74.03 C ATOM 1231 O PHE A 78 8.612 -11.048 -5.148 1.00 31.03 O ATOM 1232 CB PHE A 78 9.099 -8.032 -4.086 1.00 24.40 C ATOM 1233 CG PHE A 78 10.438 -8.702 -3.856 1.00 54.34 C ATOM 1234 CD1 PHE A 78 10.836 -9.097 -2.570 1.00 31.00 C ATOM 1235 CD2 PHE A 78 11.291 -8.927 -4.942 1.00 62.41 C ATOM 1236 CE1 PHE A 78 12.056 -9.772 -2.380 1.00 24.00 C ATOM 1237 CE2 PHE A 78 12.505 -9.608 -4.760 1.00 62.31 C ATOM 1238 CZ PHE A 78 12.888 -10.041 -3.480 1.00 22.11 C ATOM 0 H PHE A 78 8.647 -10.270 -2.668 1.00 23.10 H new ATOM 0 HA PHE A 78 7.014 -8.384 -4.285 1.00 14.24 H new ATOM 0 HB2 PHE A 78 9.141 -7.478 -5.024 1.00 24.40 H new ATOM 0 HB3 PHE A 78 8.931 -7.303 -3.293 1.00 24.40 H new ATOM 0 HD1 PHE A 78 10.203 -8.882 -1.722 1.00 31.00 H new ATOM 0 HD2 PHE A 78 11.014 -8.575 -5.925 1.00 62.41 H new ATOM 0 HE1 PHE A 78 12.353 -10.083 -1.389 1.00 24.00 H new ATOM 0 HE2 PHE A 78 13.147 -9.800 -5.607 1.00 62.31 H new ATOM 0 HZ PHE A 78 13.815 -10.577 -3.342 1.00 22.11 H new ATOM 1248 N THR A 79 7.497 -9.583 -6.452 1.00 0.31 N ATOM 1249 CA THR A 79 7.200 -10.428 -7.608 1.00 24.30 C ATOM 1250 C THR A 79 8.194 -10.203 -8.758 1.00 14.23 C ATOM 1251 O THR A 79 8.144 -10.891 -9.780 1.00 71.22 O ATOM 1252 CB THR A 79 5.734 -10.145 -8.031 1.00 51.52 C ATOM 1253 OG1 THR A 79 5.263 -8.916 -7.483 1.00 55.52 O ATOM 1254 CG2 THR A 79 4.813 -11.274 -7.555 1.00 4.50 C ATOM 0 H THR A 79 7.255 -8.607 -6.621 1.00 0.31 H new ATOM 0 HA THR A 79 7.310 -11.479 -7.341 1.00 24.30 H new ATOM 0 HB THR A 79 5.719 -10.081 -9.119 1.00 51.52 H new ATOM 0 HG1 THR A 79 4.534 -8.568 -8.038 1.00 55.52 H new ATOM 0 HG21 THR A 79 3.788 -11.061 -7.860 1.00 4.50 H new ATOM 0 HG22 THR A 79 5.134 -12.217 -7.998 1.00 4.50 H new ATOM 0 HG23 THR A 79 4.861 -11.349 -6.469 1.00 4.50 H new ATOM 1262 N VAL A 80 9.119 -9.262 -8.586 1.00 32.42 N ATOM 1263 CA VAL A 80 9.994 -8.681 -9.595 1.00 63.41 C ATOM 1264 C VAL A 80 11.320 -8.320 -8.916 1.00 72.23 C ATOM 1265 O VAL A 80 11.335 -7.549 -7.959 1.00 52.41 O ATOM 1266 CB VAL A 80 9.283 -7.454 -10.219 1.00 34.01 C ATOM 1267 CG1 VAL A 80 8.637 -6.582 -9.144 1.00 2.53 C ATOM 1268 CG2 VAL A 80 10.226 -6.633 -11.107 1.00 22.34 C ATOM 0 H VAL A 80 9.287 -8.856 -7.665 1.00 32.42 H new ATOM 0 HA VAL A 80 10.209 -9.377 -10.406 1.00 63.41 H new ATOM 0 HB VAL A 80 8.490 -7.837 -10.862 1.00 34.01 H new ATOM 0 HG11 VAL A 80 8.146 -5.729 -9.613 1.00 2.53 H new ATOM 0 HG12 VAL A 80 7.900 -7.168 -8.595 1.00 2.53 H new ATOM 0 HG13 VAL A 80 9.403 -6.226 -8.456 1.00 2.53 H new ATOM 0 HG21 VAL A 80 9.686 -5.783 -11.523 1.00 22.34 H new ATOM 0 HG22 VAL A 80 11.065 -6.273 -10.512 1.00 22.34 H new ATOM 0 HG23 VAL A 80 10.599 -7.259 -11.918 1.00 22.34 H new ATOM 1278 N ASN A 81 12.443 -8.878 -9.371 1.00 35.23 N ATOM 1279 CA ASN A 81 13.747 -8.547 -8.805 1.00 23.23 C ATOM 1280 C ASN A 81 14.569 -7.804 -9.842 1.00 60.21 C ATOM 1281 O ASN A 81 15.350 -8.419 -10.566 1.00 31.40 O ATOM 1282 CB ASN A 81 14.469 -9.809 -8.312 1.00 62.04 C ATOM 1283 CG ASN A 81 15.785 -9.435 -7.640 1.00 60.05 C ATOM 1284 OD1 ASN A 81 16.856 -9.508 -8.234 1.00 55.21 O ATOM 1285 ND2 ASN A 81 15.739 -8.980 -6.400 1.00 44.22 N ATOM 0 H ASN A 81 12.473 -9.560 -10.129 1.00 35.23 H new ATOM 0 HA ASN A 81 13.610 -7.901 -7.938 1.00 23.23 H new ATOM 0 HB2 ASN A 81 13.834 -10.349 -7.609 1.00 62.04 H new ATOM 0 HB3 ASN A 81 14.658 -10.479 -9.150 1.00 62.04 H new ATOM 0 HD21 ASN A 81 16.597 -8.687 -5.932 1.00 44.22 H new ATOM 0 HD22 ASN A 81 14.846 -8.921 -5.911 1.00 44.22 H new ATOM 1292 N GLU A 82 14.402 -6.488 -9.919 1.00 0.12 N ATOM 1293 CA GLU A 82 15.292 -5.623 -10.690 1.00 22.24 C ATOM 1294 C GLU A 82 15.978 -4.665 -9.714 1.00 61.22 C ATOM 1295 O GLU A 82 15.476 -4.460 -8.601 1.00 51.52 O ATOM 1296 CB GLU A 82 14.521 -4.835 -11.766 1.00 40.42 C ATOM 1297 CG GLU A 82 13.653 -5.667 -12.708 1.00 60.41 C ATOM 1298 CD GLU A 82 14.381 -6.643 -13.633 1.00 2.24 C ATOM 1299 OE1 GLU A 82 15.593 -6.925 -13.479 1.00 32.30 O ATOM 1300 OE2 GLU A 82 13.689 -7.234 -14.487 1.00 63.24 O ATOM 0 H GLU A 82 13.646 -5.990 -9.449 1.00 0.12 H new ATOM 0 HA GLU A 82 16.030 -6.232 -11.212 1.00 22.24 H new ATOM 0 HB2 GLU A 82 13.885 -4.104 -11.267 1.00 40.42 H new ATOM 0 HB3 GLU A 82 15.240 -4.276 -12.365 1.00 40.42 H new ATOM 0 HG2 GLU A 82 12.944 -6.235 -12.105 1.00 60.41 H new ATOM 0 HG3 GLU A 82 13.070 -4.984 -13.326 1.00 60.41 H new ATOM 1307 N PRO A 83 17.102 -4.050 -10.107 1.00 74.22 N ATOM 1308 CA PRO A 83 17.782 -3.045 -9.299 1.00 22.34 C ATOM 1309 C PRO A 83 16.997 -1.730 -9.226 1.00 43.33 C ATOM 1310 O PRO A 83 17.184 -0.977 -8.270 1.00 1.44 O ATOM 1311 CB PRO A 83 19.147 -2.852 -9.964 1.00 40.42 C ATOM 1312 CG PRO A 83 18.889 -3.238 -11.418 1.00 72.05 C ATOM 1313 CD PRO A 83 17.863 -4.354 -11.308 1.00 0.41 C ATOM 0 HA PRO A 83 17.877 -3.369 -8.263 1.00 22.34 H new ATOM 0 HB2 PRO A 83 19.495 -1.823 -9.877 1.00 40.42 H new ATOM 0 HB3 PRO A 83 19.909 -3.485 -9.509 1.00 40.42 H new ATOM 0 HG2 PRO A 83 18.507 -2.396 -11.996 1.00 72.05 H new ATOM 0 HG3 PRO A 83 19.800 -3.576 -11.912 1.00 72.05 H new ATOM 0 HD2 PRO A 83 17.218 -4.385 -12.186 1.00 0.41 H new ATOM 0 HD3 PRO A 83 18.346 -5.328 -11.233 1.00 0.41 H new ATOM 1321 N ALA A 84 16.101 -1.469 -10.189 1.00 34.02 N ATOM 1322 CA ALA A 84 15.322 -0.246 -10.302 1.00 75.12 C ATOM 1323 C ALA A 84 13.916 -0.604 -10.790 1.00 71.25 C ATOM 1324 O ALA A 84 13.340 0.127 -11.602 1.00 40.14 O ATOM 1325 CB ALA A 84 15.961 0.741 -11.279 1.00 55.42 C ATOM 0 H ALA A 84 15.898 -2.135 -10.935 1.00 34.02 H new ATOM 0 HA ALA A 84 15.283 0.231 -9.323 1.00 75.12 H new ATOM 0 HB1 ALA A 84 15.351 1.642 -11.337 1.00 55.42 H new ATOM 0 HB2 ALA A 84 16.961 1.001 -10.931 1.00 55.42 H new ATOM 0 HB3 ALA A 84 16.028 0.284 -12.266 1.00 55.42 H new ATOM 1331 N HIS A 85 13.308 -1.673 -10.279 1.00 12.33 N ATOM 1332 CA HIS A 85 11.867 -1.879 -10.397 1.00 52.12 C ATOM 1333 C HIS A 85 11.514 -3.009 -9.439 1.00 4.13 C ATOM 1334 O HIS A 85 12.073 -4.099 -9.571 1.00 20.04 O ATOM 1335 CB HIS A 85 11.503 -2.225 -11.857 1.00 14.53 C ATOM 1336 CG HIS A 85 10.391 -1.390 -12.463 1.00 54.45 C ATOM 1337 ND1 HIS A 85 9.542 -1.785 -13.478 1.00 24.21 N ATOM 1338 CD2 HIS A 85 10.103 -0.073 -12.189 1.00 44.32 C ATOM 1339 CE1 HIS A 85 8.763 -0.737 -13.791 1.00 62.22 C ATOM 1340 NE2 HIS A 85 9.064 0.329 -13.035 1.00 63.12 N ATOM 0 H HIS A 85 13.796 -2.414 -9.776 1.00 12.33 H new ATOM 0 HA HIS A 85 11.303 -0.982 -10.141 1.00 52.12 H new ATOM 0 HB2 HIS A 85 12.395 -2.114 -12.473 1.00 14.53 H new ATOM 0 HB3 HIS A 85 11.213 -3.275 -11.903 1.00 14.53 H new ATOM 0 HD2 HIS A 85 10.593 0.543 -11.450 1.00 44.32 H new ATOM 0 HE1 HIS A 85 7.996 -0.751 -14.551 1.00 62.22 H new ATOM 0 HE2 HIS A 85 8.624 1.248 -13.070 1.00 63.12 H new ATOM 1348 N LYS A 86 10.689 -2.752 -8.419 1.00 43.11 N ATOM 1349 CA LYS A 86 10.160 -3.828 -7.566 1.00 12.31 C ATOM 1350 C LYS A 86 8.720 -3.467 -7.163 1.00 41.31 C ATOM 1351 O LYS A 86 8.410 -2.283 -7.009 1.00 75.23 O ATOM 1352 CB LYS A 86 11.057 -4.153 -6.339 1.00 42.14 C ATOM 1353 CG LYS A 86 12.575 -4.225 -6.633 1.00 64.35 C ATOM 1354 CD LYS A 86 13.471 -4.409 -5.399 1.00 75.05 C ATOM 1355 CE LYS A 86 14.730 -3.527 -5.468 1.00 1.20 C ATOM 1356 NZ LYS A 86 15.887 -4.141 -4.798 1.00 75.43 N ATOM 0 H LYS A 86 10.373 -1.817 -8.163 1.00 43.11 H new ATOM 0 HA LYS A 86 10.159 -4.753 -8.143 1.00 12.31 H new ATOM 0 HB2 LYS A 86 10.887 -3.395 -5.574 1.00 42.14 H new ATOM 0 HB3 LYS A 86 10.739 -5.107 -5.919 1.00 42.14 H new ATOM 0 HG2 LYS A 86 12.757 -5.051 -7.321 1.00 64.35 H new ATOM 0 HG3 LYS A 86 12.873 -3.311 -7.146 1.00 64.35 H new ATOM 0 HD2 LYS A 86 12.905 -4.165 -4.500 1.00 75.05 H new ATOM 0 HD3 LYS A 86 13.765 -5.455 -5.316 1.00 75.05 H new ATOM 0 HE2 LYS A 86 14.978 -3.336 -6.512 1.00 1.20 H new ATOM 0 HE3 LYS A 86 14.519 -2.561 -5.008 1.00 1.20 H new ATOM 0 HZ1 LYS A 86 16.708 -3.507 -4.873 1.00 75.43 H new ATOM 0 HZ2 LYS A 86 15.663 -4.300 -3.795 1.00 75.43 H new ATOM 0 HZ3 LYS A 86 16.109 -5.050 -5.252 1.00 75.43 H new ATOM 1370 N GLU A 87 7.857 -4.459 -6.934 1.00 71.13 N ATOM 1371 CA GLU A 87 6.453 -4.286 -6.534 1.00 52.23 C ATOM 1372 C GLU A 87 6.244 -5.013 -5.191 1.00 75.05 C ATOM 1373 O GLU A 87 7.045 -5.880 -4.846 1.00 1.51 O ATOM 1374 CB GLU A 87 5.472 -4.825 -7.617 1.00 24.04 C ATOM 1375 CG GLU A 87 5.841 -4.532 -9.087 1.00 20.43 C ATOM 1376 CD GLU A 87 4.679 -4.539 -10.078 1.00 21.33 C ATOM 1377 OE1 GLU A 87 4.129 -5.629 -10.335 1.00 53.25 O ATOM 1378 OE2 GLU A 87 4.433 -3.513 -10.751 1.00 24.14 O ATOM 0 H GLU A 87 8.122 -5.440 -7.024 1.00 71.13 H new ATOM 0 HA GLU A 87 6.238 -3.223 -6.425 1.00 52.23 H new ATOM 0 HB2 GLU A 87 5.389 -5.905 -7.495 1.00 24.04 H new ATOM 0 HB3 GLU A 87 4.485 -4.405 -7.423 1.00 24.04 H new ATOM 0 HG2 GLU A 87 6.327 -3.557 -9.133 1.00 20.43 H new ATOM 0 HG3 GLU A 87 6.575 -5.270 -9.412 1.00 20.43 H new ATOM 1385 N PHE A 88 5.165 -4.736 -4.454 1.00 73.42 N ATOM 1386 CA PHE A 88 4.755 -5.483 -3.248 1.00 51.25 C ATOM 1387 C PHE A 88 3.403 -6.119 -3.468 1.00 72.41 C ATOM 1388 O PHE A 88 2.390 -5.490 -3.184 1.00 34.00 O ATOM 1389 CB PHE A 88 4.909 -4.769 -1.901 1.00 21.44 C ATOM 1390 CG PHE A 88 5.119 -5.664 -0.695 1.00 75.04 C ATOM 1391 CD1 PHE A 88 6.339 -6.346 -0.515 1.00 40.55 C ATOM 1392 CD2 PHE A 88 4.126 -5.730 0.298 1.00 1.13 C ATOM 1393 CE1 PHE A 88 6.575 -7.085 0.657 1.00 14.11 C ATOM 1394 CE2 PHE A 88 4.348 -6.487 1.456 1.00 32.24 C ATOM 1395 CZ PHE A 88 5.556 -7.180 1.619 1.00 43.25 C ATOM 0 H PHE A 88 4.533 -3.968 -4.680 1.00 73.42 H new ATOM 0 HA PHE A 88 5.497 -6.273 -3.129 1.00 51.25 H new ATOM 0 HB2 PHE A 88 5.753 -4.082 -1.970 1.00 21.44 H new ATOM 0 HB3 PHE A 88 4.019 -4.164 -1.729 1.00 21.44 H new ATOM 0 HD1 PHE A 88 7.097 -6.301 -1.283 1.00 40.55 H new ATOM 0 HD2 PHE A 88 3.195 -5.199 0.169 1.00 1.13 H new ATOM 0 HE1 PHE A 88 7.526 -7.572 0.816 1.00 14.11 H new ATOM 0 HE2 PHE A 88 3.589 -6.537 2.223 1.00 32.24 H new ATOM 0 HZ PHE A 88 5.705 -7.794 2.495 1.00 43.25 H new ATOM 1405 N GLU A 89 3.399 -7.332 -4.018 1.00 51.34 N ATOM 1406 CA GLU A 89 2.228 -8.189 -4.086 1.00 62.42 C ATOM 1407 C GLU A 89 2.176 -9.005 -2.788 1.00 22.31 C ATOM 1408 O GLU A 89 3.138 -9.714 -2.463 1.00 62.33 O ATOM 1409 CB GLU A 89 2.264 -9.074 -5.348 1.00 2.31 C ATOM 1410 CG GLU A 89 1.476 -8.477 -6.529 1.00 22.04 C ATOM 1411 CD GLU A 89 1.966 -8.995 -7.886 1.00 62.03 C ATOM 1412 OE1 GLU A 89 2.919 -8.416 -8.458 1.00 11.33 O ATOM 1413 OE2 GLU A 89 1.407 -9.986 -8.417 1.00 31.41 O ATOM 0 H GLU A 89 4.230 -7.751 -4.436 1.00 51.34 H new ATOM 0 HA GLU A 89 1.316 -7.598 -4.171 1.00 62.42 H new ATOM 0 HB2 GLU A 89 3.301 -9.224 -5.650 1.00 2.31 H new ATOM 0 HB3 GLU A 89 1.857 -10.056 -5.107 1.00 2.31 H new ATOM 0 HG2 GLU A 89 0.419 -8.716 -6.413 1.00 22.04 H new ATOM 0 HG3 GLU A 89 1.562 -7.391 -6.506 1.00 22.04 H new ATOM 1420 N ALA A 90 1.067 -8.899 -2.056 1.00 40.15 N ATOM 1421 CA ALA A 90 0.685 -9.805 -0.975 1.00 42.31 C ATOM 1422 C ALA A 90 -0.774 -10.182 -1.175 1.00 64.31 C ATOM 1423 O ALA A 90 -1.473 -9.497 -1.915 1.00 73.21 O ATOM 1424 CB ALA A 90 0.815 -9.145 0.410 1.00 61.02 C ATOM 0 H ALA A 90 0.387 -8.154 -2.205 1.00 40.15 H new ATOM 0 HA ALA A 90 1.348 -10.670 -1.005 1.00 42.31 H new ATOM 0 HB1 ALA A 90 0.520 -9.857 1.181 1.00 61.02 H new ATOM 0 HB2 ALA A 90 1.849 -8.841 0.573 1.00 61.02 H new ATOM 0 HB3 ALA A 90 0.168 -8.269 0.458 1.00 61.02 H new ATOM 1430 N GLY A 91 -1.246 -11.192 -0.455 1.00 74.44 N ATOM 1431 CA GLY A 91 -2.620 -11.667 -0.448 1.00 24.02 C ATOM 1432 C GLY A 91 -2.651 -13.070 0.136 1.00 0.13 C ATOM 1433 O GLY A 91 -1.600 -13.702 0.302 1.00 14.13 O ATOM 0 H GLY A 91 -0.647 -11.729 0.172 1.00 74.44 H new ATOM 0 HA2 GLY A 91 -3.247 -10.999 0.142 1.00 24.02 H new ATOM 0 HA3 GLY A 91 -3.023 -11.671 -1.461 1.00 24.02 H new ATOM 1437 N TYR A 92 -3.842 -13.557 0.467 1.00 20.22 N ATOM 1438 CA TYR A 92 -4.019 -14.951 0.842 1.00 31.31 C ATOM 1439 C TYR A 92 -3.953 -15.830 -0.399 1.00 1.21 C ATOM 1440 O TYR A 92 -4.159 -15.364 -1.527 1.00 2.41 O ATOM 1441 CB TYR A 92 -5.342 -15.120 1.598 1.00 31.14 C ATOM 1442 CG TYR A 92 -5.201 -14.670 3.035 1.00 74.04 C ATOM 1443 CD1 TYR A 92 -5.202 -13.295 3.346 1.00 33.42 C ATOM 1444 CD2 TYR A 92 -4.943 -15.622 4.041 1.00 73.34 C ATOM 1445 CE1 TYR A 92 -4.869 -12.872 4.643 1.00 54.53 C ATOM 1446 CE2 TYR A 92 -4.633 -15.198 5.342 1.00 2.41 C ATOM 1447 CZ TYR A 92 -4.563 -13.823 5.641 1.00 73.34 C ATOM 1448 OH TYR A 92 -4.124 -13.452 6.868 1.00 20.23 O ATOM 0 H TYR A 92 -4.699 -13.004 0.483 1.00 20.22 H new ATOM 0 HA TYR A 92 -3.216 -15.263 1.510 1.00 31.31 H new ATOM 0 HB2 TYR A 92 -6.124 -14.541 1.106 1.00 31.14 H new ATOM 0 HB3 TYR A 92 -5.652 -16.164 1.568 1.00 31.14 H new ATOM 0 HD1 TYR A 92 -5.458 -12.569 2.589 1.00 33.42 H new ATOM 0 HD2 TYR A 92 -4.984 -16.676 3.811 1.00 73.34 H new ATOM 0 HE1 TYR A 92 -4.847 -11.818 4.878 1.00 54.53 H new ATOM 0 HE2 TYR A 92 -4.448 -15.928 6.116 1.00 2.41 H new ATOM 0 HH TYR A 92 -3.969 -14.250 7.415 1.00 20.23 H new ATOM 1458 N ASP A 93 -3.690 -17.118 -0.177 1.00 34.14 N ATOM 1459 CA ASP A 93 -3.832 -18.106 -1.233 1.00 22.40 C ATOM 1460 C ASP A 93 -5.319 -18.214 -1.595 1.00 72.42 C ATOM 1461 O ASP A 93 -6.184 -17.757 -0.834 1.00 62.44 O ATOM 1462 CB ASP A 93 -3.219 -19.455 -0.813 1.00 42.22 C ATOM 1463 CG ASP A 93 -2.958 -20.378 -2.010 1.00 34.03 C ATOM 1464 OD1 ASP A 93 -2.840 -19.890 -3.154 1.00 31.40 O ATOM 1465 OD2 ASP A 93 -2.727 -21.590 -1.780 1.00 2.34 O ATOM 0 H ASP A 93 -3.380 -17.494 0.719 1.00 34.14 H new ATOM 0 HA ASP A 93 -3.281 -17.796 -2.121 1.00 22.40 H new ATOM 0 HB2 ASP A 93 -2.282 -19.276 -0.285 1.00 42.22 H new ATOM 0 HB3 ASP A 93 -3.890 -19.953 -0.113 1.00 42.22 H new ATOM 1470 N GLU A 94 -5.613 -18.852 -2.727 1.00 61.15 N ATOM 1471 CA GLU A 94 -6.929 -19.129 -3.292 1.00 15.13 C ATOM 1472 C GLU A 94 -7.737 -17.883 -3.717 1.00 31.04 C ATOM 1473 O GLU A 94 -8.895 -18.055 -4.103 1.00 20.01 O ATOM 1474 CB GLU A 94 -7.690 -20.051 -2.327 1.00 23.22 C ATOM 1475 CG GLU A 94 -7.112 -21.472 -2.225 1.00 72.03 C ATOM 1476 CD GLU A 94 -7.912 -22.486 -3.041 1.00 63.03 C ATOM 1477 OE1 GLU A 94 -8.238 -22.178 -4.217 1.00 74.22 O ATOM 1478 OE2 GLU A 94 -8.214 -23.559 -2.473 1.00 42.23 O ATOM 0 H GLU A 94 -4.871 -19.219 -3.322 1.00 61.15 H new ATOM 0 HA GLU A 94 -6.780 -19.639 -4.244 1.00 15.13 H new ATOM 0 HB2 GLU A 94 -7.691 -19.599 -1.335 1.00 23.22 H new ATOM 0 HB3 GLU A 94 -8.730 -20.116 -2.648 1.00 23.22 H new ATOM 0 HG2 GLU A 94 -6.078 -21.466 -2.570 1.00 72.03 H new ATOM 0 HG3 GLU A 94 -7.097 -21.781 -1.180 1.00 72.03 H new ATOM 1485 N SER A 95 -7.161 -16.672 -3.694 1.00 31.21 N ATOM 1486 CA SER A 95 -7.862 -15.391 -3.850 1.00 4.11 C ATOM 1487 C SER A 95 -7.012 -14.357 -4.620 1.00 31.03 C ATOM 1488 O SER A 95 -6.123 -14.724 -5.393 1.00 73.44 O ATOM 1489 CB SER A 95 -8.258 -14.888 -2.451 1.00 54.22 C ATOM 1490 OG SER A 95 -9.587 -14.400 -2.443 1.00 21.13 O ATOM 0 H SER A 95 -6.157 -16.555 -3.561 1.00 31.21 H new ATOM 0 HA SER A 95 -8.759 -15.536 -4.452 1.00 4.11 H new ATOM 0 HB2 SER A 95 -8.160 -15.698 -1.729 1.00 54.22 H new ATOM 0 HB3 SER A 95 -7.575 -14.098 -2.138 1.00 54.22 H new ATOM 0 HG SER A 95 -9.815 -14.088 -1.543 1.00 21.13 H new ATOM 1496 N GLU A 96 -7.327 -13.062 -4.486 1.00 62.02 N ATOM 1497 CA GLU A 96 -6.613 -11.970 -5.142 1.00 21.44 C ATOM 1498 C GLU A 96 -5.471 -11.416 -4.263 1.00 40.45 C ATOM 1499 O GLU A 96 -5.551 -11.508 -3.031 1.00 34.33 O ATOM 1500 CB GLU A 96 -7.601 -10.876 -5.564 1.00 73.24 C ATOM 1501 CG GLU A 96 -8.286 -10.168 -4.388 1.00 22.23 C ATOM 1502 CD GLU A 96 -8.544 -8.664 -4.577 1.00 11.43 C ATOM 1503 OE1 GLU A 96 -8.440 -8.120 -5.699 1.00 42.11 O ATOM 1504 OE2 GLU A 96 -8.959 -8.016 -3.583 1.00 75.31 O ATOM 0 H GLU A 96 -8.102 -12.743 -3.905 1.00 62.02 H new ATOM 0 HA GLU A 96 -6.137 -12.362 -6.041 1.00 21.44 H new ATOM 0 HB2 GLU A 96 -7.072 -10.135 -6.163 1.00 73.24 H new ATOM 0 HB3 GLU A 96 -8.365 -11.318 -6.204 1.00 73.24 H new ATOM 0 HG2 GLU A 96 -9.239 -10.661 -4.196 1.00 22.23 H new ATOM 0 HG3 GLU A 96 -7.672 -10.304 -3.498 1.00 22.23 H new ATOM 1511 N PRO A 97 -4.437 -10.790 -4.861 1.00 20.04 N ATOM 1512 CA PRO A 97 -3.433 -10.052 -4.114 1.00 15.20 C ATOM 1513 C PRO A 97 -3.984 -8.718 -3.602 1.00 73.35 C ATOM 1514 O PRO A 97 -4.332 -7.834 -4.387 1.00 60.44 O ATOM 1515 CB PRO A 97 -2.238 -9.880 -5.044 1.00 14.53 C ATOM 1516 CG PRO A 97 -2.845 -9.957 -6.445 1.00 43.55 C ATOM 1517 CD PRO A 97 -4.079 -10.845 -6.273 1.00 63.32 C ATOM 0 HA PRO A 97 -3.130 -10.592 -3.217 1.00 15.20 H new ATOM 0 HB2 PRO A 97 -1.737 -8.926 -4.878 1.00 14.53 H new ATOM 0 HB3 PRO A 97 -1.495 -10.662 -4.888 1.00 14.53 H new ATOM 0 HG2 PRO A 97 -3.115 -8.968 -6.817 1.00 43.55 H new ATOM 0 HG3 PRO A 97 -2.143 -10.386 -7.160 1.00 43.55 H new ATOM 0 HD2 PRO A 97 -4.901 -10.491 -6.895 1.00 63.32 H new ATOM 0 HD3 PRO A 97 -3.865 -11.869 -6.579 1.00 63.32 H new ATOM 1525 N SER A 98 -4.047 -8.594 -2.280 1.00 72.01 N ATOM 1526 CA SER A 98 -4.580 -7.480 -1.501 1.00 63.15 C ATOM 1527 C SER A 98 -3.678 -6.231 -1.475 1.00 23.23 C ATOM 1528 O SER A 98 -4.119 -5.148 -1.081 1.00 35.21 O ATOM 1529 CB SER A 98 -4.797 -7.986 -0.067 1.00 51.11 C ATOM 1530 OG SER A 98 -3.587 -8.456 0.505 1.00 21.31 O ATOM 0 H SER A 98 -3.696 -9.335 -1.673 1.00 72.01 H new ATOM 0 HA SER A 98 -5.506 -7.158 -1.978 1.00 63.15 H new ATOM 0 HB2 SER A 98 -5.203 -7.182 0.547 1.00 51.11 H new ATOM 0 HB3 SER A 98 -5.535 -8.788 -0.070 1.00 51.11 H new ATOM 0 HG SER A 98 -3.757 -8.770 1.418 1.00 21.31 H new ATOM 1536 N LEU A 99 -2.417 -6.397 -1.870 1.00 43.54 N ATOM 1537 CA LEU A 99 -1.257 -5.503 -1.849 1.00 24.21 C ATOM 1538 C LEU A 99 -0.709 -5.632 -3.235 1.00 21.03 C ATOM 1539 O LEU A 99 -0.670 -6.727 -3.799 1.00 2.53 O ATOM 1540 CB LEU A 99 -0.277 -5.985 -0.770 1.00 51.23 C ATOM 1541 CG LEU A 99 -0.012 -4.952 0.332 1.00 55.15 C ATOM 1542 CD1 LEU A 99 -1.299 -4.314 0.861 1.00 31.04 C ATOM 1543 CD2 LEU A 99 0.695 -5.645 1.491 1.00 14.34 C ATOM 0 H LEU A 99 -2.146 -7.295 -2.271 1.00 43.54 H new ATOM 0 HA LEU A 99 -1.476 -4.464 -1.604 1.00 24.21 H new ATOM 0 HB2 LEU A 99 -0.670 -6.894 -0.316 1.00 51.23 H new ATOM 0 HB3 LEU A 99 0.669 -6.248 -1.243 1.00 51.23 H new ATOM 0 HG LEU A 99 0.600 -4.160 -0.099 1.00 55.15 H new ATOM 0 HD11 LEU A 99 -1.054 -3.591 1.639 1.00 31.04 H new ATOM 0 HD12 LEU A 99 -1.816 -3.808 0.046 1.00 31.04 H new ATOM 0 HD13 LEU A 99 -1.945 -5.088 1.276 1.00 31.04 H new ATOM 0 HD21 LEU A 99 0.890 -4.922 2.283 1.00 14.34 H new ATOM 0 HD22 LEU A 99 0.063 -6.444 1.877 1.00 14.34 H new ATOM 0 HD23 LEU A 99 1.639 -6.065 1.143 1.00 14.34 H new ATOM 1555 N ARG A 100 -0.370 -4.476 -3.787 1.00 40.44 N ATOM 1556 CA ARG A 100 0.180 -4.356 -5.122 1.00 40.12 C ATOM 1557 C ARG A 100 0.738 -2.943 -5.227 1.00 75.41 C ATOM 1558 O ARG A 100 0.209 -2.027 -5.855 1.00 73.13 O ATOM 1559 CB ARG A 100 -0.924 -4.578 -6.140 1.00 2.52 C ATOM 1560 CG ARG A 100 -0.381 -4.634 -7.572 1.00 73.13 C ATOM 1561 CD ARG A 100 -1.468 -4.964 -8.597 1.00 41.11 C ATOM 1562 NE ARG A 100 -2.779 -4.345 -8.325 1.00 0.30 N ATOM 1563 CZ ARG A 100 -3.141 -3.059 -8.423 1.00 43.22 C ATOM 1564 NH1 ARG A 100 -2.248 -2.102 -8.651 1.00 31.14 N ATOM 1565 NH2 ARG A 100 -4.416 -2.736 -8.291 1.00 73.22 N ATOM 0 H ARG A 100 -0.473 -3.581 -3.308 1.00 40.44 H new ATOM 0 HA ARG A 100 0.960 -5.092 -5.314 1.00 40.12 H new ATOM 0 HB2 ARG A 100 -1.445 -5.508 -5.913 1.00 2.52 H new ATOM 0 HB3 ARG A 100 -1.657 -3.775 -6.061 1.00 2.52 H new ATOM 0 HG2 ARG A 100 0.072 -3.675 -7.823 1.00 73.13 H new ATOM 0 HG3 ARG A 100 0.408 -5.384 -7.629 1.00 73.13 H new ATOM 0 HD2 ARG A 100 -1.128 -4.645 -9.582 1.00 41.11 H new ATOM 0 HD3 ARG A 100 -1.594 -6.046 -8.638 1.00 41.11 H new ATOM 0 HE ARG A 100 -3.512 -4.985 -8.020 1.00 0.30 H new ATOM 0 HH11 ARG A 100 -1.262 -2.339 -8.756 1.00 31.14 H new ATOM 0 HH12 ARG A 100 -2.549 -1.130 -8.721 1.00 31.14 H new ATOM 0 HH21 ARG A 100 -5.111 -3.462 -8.117 1.00 73.22 H new ATOM 0 HH22 ARG A 100 -4.705 -1.761 -8.363 1.00 73.22 H new ATOM 1579 N VAL A 101 1.779 -2.739 -4.464 1.00 71.03 N ATOM 1580 CA VAL A 101 2.460 -1.456 -4.360 1.00 35.34 C ATOM 1581 C VAL A 101 3.507 -1.417 -5.483 1.00 14.52 C ATOM 1582 O VAL A 101 3.988 -2.474 -5.888 1.00 73.33 O ATOM 1583 CB VAL A 101 3.034 -1.340 -2.936 1.00 1.42 C ATOM 1584 CG1 VAL A 101 4.380 -1.916 -2.801 1.00 35.44 C ATOM 1585 CG2 VAL A 101 3.048 0.080 -2.356 1.00 52.41 C ATOM 0 H VAL A 101 2.193 -3.468 -3.882 1.00 71.03 H new ATOM 0 HA VAL A 101 1.810 -0.592 -4.495 1.00 35.34 H new ATOM 0 HB VAL A 101 2.326 -1.928 -2.352 1.00 1.42 H new ATOM 0 HG11 VAL A 101 4.724 -1.800 -1.773 1.00 35.44 H new ATOM 0 HG12 VAL A 101 4.350 -2.975 -3.056 1.00 35.44 H new ATOM 0 HG13 VAL A 101 5.066 -1.400 -3.473 1.00 35.44 H new ATOM 0 HG21 VAL A 101 3.470 0.058 -1.351 1.00 52.41 H new ATOM 0 HG22 VAL A 101 3.655 0.726 -2.990 1.00 52.41 H new ATOM 0 HG23 VAL A 101 2.029 0.466 -2.314 1.00 52.41 H new ATOM 1595 N VAL A 102 3.941 -0.241 -5.936 1.00 71.35 N ATOM 1596 CA VAL A 102 5.031 -0.136 -6.905 1.00 41.21 C ATOM 1597 C VAL A 102 6.051 0.873 -6.386 1.00 35.40 C ATOM 1598 O VAL A 102 5.702 2.003 -6.036 1.00 14.20 O ATOM 1599 CB VAL A 102 4.493 0.207 -8.306 1.00 24.32 C ATOM 1600 CG1 VAL A 102 5.645 0.422 -9.296 1.00 14.13 C ATOM 1601 CG2 VAL A 102 3.598 -0.923 -8.822 1.00 20.23 C ATOM 0 H VAL A 102 3.552 0.656 -5.646 1.00 71.35 H new ATOM 0 HA VAL A 102 5.535 -1.096 -7.015 1.00 41.21 H new ATOM 0 HB VAL A 102 3.915 1.127 -8.225 1.00 24.32 H new ATOM 0 HG11 VAL A 102 5.240 0.663 -10.279 1.00 14.13 H new ATOM 0 HG12 VAL A 102 6.273 1.243 -8.951 1.00 14.13 H new ATOM 0 HG13 VAL A 102 6.242 -0.488 -9.363 1.00 14.13 H new ATOM 0 HG21 VAL A 102 3.224 -0.667 -9.814 1.00 20.23 H new ATOM 0 HG22 VAL A 102 4.174 -1.847 -8.878 1.00 20.23 H new ATOM 0 HG23 VAL A 102 2.757 -1.061 -8.142 1.00 20.23 H new ATOM 1611 N PHE A 103 7.316 0.457 -6.344 1.00 12.11 N ATOM 1612 CA PHE A 103 8.464 1.256 -5.953 1.00 52.31 C ATOM 1613 C PHE A 103 9.277 1.571 -7.217 1.00 74.44 C ATOM 1614 O PHE A 103 9.550 0.673 -8.016 1.00 35.14 O ATOM 1615 CB PHE A 103 9.320 0.461 -4.950 1.00 73.25 C ATOM 1616 CG PHE A 103 8.615 -0.056 -3.700 1.00 23.12 C ATOM 1617 CD1 PHE A 103 8.154 0.834 -2.712 1.00 12.43 C ATOM 1618 CD2 PHE A 103 8.466 -1.440 -3.487 1.00 75.25 C ATOM 1619 CE1 PHE A 103 7.556 0.357 -1.533 1.00 73.02 C ATOM 1620 CE2 PHE A 103 7.897 -1.922 -2.295 1.00 75.34 C ATOM 1621 CZ PHE A 103 7.432 -1.026 -1.318 1.00 3.21 C ATOM 0 H PHE A 103 7.575 -0.497 -6.596 1.00 12.11 H new ATOM 0 HA PHE A 103 8.146 2.184 -5.478 1.00 52.31 H new ATOM 0 HB2 PHE A 103 9.752 -0.392 -5.474 1.00 73.25 H new ATOM 0 HB3 PHE A 103 10.149 1.094 -4.635 1.00 73.25 H new ATOM 0 HD1 PHE A 103 8.261 1.898 -2.862 1.00 12.43 H new ATOM 0 HD2 PHE A 103 8.791 -2.137 -4.245 1.00 75.25 H new ATOM 0 HE1 PHE A 103 7.192 1.053 -0.792 1.00 73.02 H new ATOM 0 HE2 PHE A 103 7.817 -2.986 -2.130 1.00 75.34 H new ATOM 0 HZ PHE A 103 6.983 -1.397 -0.409 1.00 3.21 H new ATOM 1631 N GLU A 104 9.713 2.819 -7.384 1.00 3.52 N ATOM 1632 CA GLU A 104 10.492 3.288 -8.530 1.00 4.40 C ATOM 1633 C GLU A 104 11.756 4.000 -8.028 1.00 62.02 C ATOM 1634 O GLU A 104 11.769 4.601 -6.950 1.00 54.43 O ATOM 1635 CB GLU A 104 9.646 4.225 -9.407 1.00 4.53 C ATOM 1636 CG GLU A 104 8.830 3.472 -10.469 1.00 52.52 C ATOM 1637 CD GLU A 104 7.884 4.395 -11.261 1.00 22.40 C ATOM 1638 OE1 GLU A 104 8.179 5.609 -11.435 1.00 75.02 O ATOM 1639 OE2 GLU A 104 6.816 3.913 -11.717 1.00 35.10 O ATOM 0 H GLU A 104 9.528 3.556 -6.703 1.00 3.52 H new ATOM 0 HA GLU A 104 10.786 2.435 -9.142 1.00 4.40 H new ATOM 0 HB2 GLU A 104 8.968 4.796 -8.772 1.00 4.53 H new ATOM 0 HB3 GLU A 104 10.301 4.943 -9.900 1.00 4.53 H new ATOM 0 HG2 GLU A 104 9.512 2.978 -11.161 1.00 52.52 H new ATOM 0 HG3 GLU A 104 8.245 2.690 -9.984 1.00 52.52 H new ATOM 1646 N LEU A 105 12.830 3.933 -8.817 1.00 62.43 N ATOM 1647 CA LEU A 105 14.156 4.459 -8.541 1.00 21.14 C ATOM 1648 C LEU A 105 14.440 5.600 -9.520 1.00 32.42 C ATOM 1649 O LEU A 105 14.364 5.454 -10.741 1.00 61.43 O ATOM 1650 CB LEU A 105 15.198 3.334 -8.650 1.00 53.35 C ATOM 1651 CG LEU A 105 16.614 3.769 -8.236 1.00 4.41 C ATOM 1652 CD1 LEU A 105 16.779 3.874 -6.723 1.00 15.32 C ATOM 1653 CD2 LEU A 105 17.640 2.773 -8.763 1.00 42.11 C ATOM 0 H LEU A 105 12.786 3.476 -9.728 1.00 62.43 H new ATOM 0 HA LEU A 105 14.211 4.851 -7.526 1.00 21.14 H new ATOM 0 HB2 LEU A 105 14.886 2.498 -8.024 1.00 53.35 H new ATOM 0 HB3 LEU A 105 15.224 2.971 -9.677 1.00 53.35 H new ATOM 0 HG LEU A 105 16.773 4.758 -8.666 1.00 4.41 H new ATOM 0 HD11 LEU A 105 17.797 4.184 -6.489 1.00 15.32 H new ATOM 0 HD12 LEU A 105 16.076 4.609 -6.330 1.00 15.32 H new ATOM 0 HD13 LEU A 105 16.582 2.904 -6.267 1.00 15.32 H new ATOM 0 HD21 LEU A 105 18.640 3.089 -8.465 1.00 42.11 H new ATOM 0 HD22 LEU A 105 17.434 1.785 -8.351 1.00 42.11 H new ATOM 0 HD23 LEU A 105 17.581 2.731 -9.851 1.00 42.11 H new ATOM 1665 N THR A 106 14.737 6.749 -8.938 1.00 61.31 N ATOM 1666 CA THR A 106 15.110 8.017 -9.532 1.00 52.32 C ATOM 1667 C THR A 106 16.534 7.941 -10.068 1.00 3.22 C ATOM 1668 O THR A 106 17.119 6.865 -10.204 1.00 4.31 O ATOM 1669 CB THR A 106 14.864 9.189 -8.541 1.00 72.14 C ATOM 1670 OG1 THR A 106 13.878 8.909 -7.570 1.00 24.14 O ATOM 1671 CG2 THR A 106 14.386 10.467 -9.233 1.00 2.20 C ATOM 0 H THR A 106 14.720 6.821 -7.921 1.00 61.31 H new ATOM 0 HA THR A 106 14.470 8.228 -10.389 1.00 52.32 H new ATOM 0 HB THR A 106 15.842 9.323 -8.080 1.00 72.14 H new ATOM 0 HG1 THR A 106 14.286 8.431 -6.818 1.00 24.14 H new ATOM 0 HG21 THR A 106 14.232 11.248 -8.488 1.00 2.20 H new ATOM 0 HG22 THR A 106 15.137 10.794 -9.952 1.00 2.20 H new ATOM 0 HG23 THR A 106 13.448 10.271 -9.752 1.00 2.20 H new ATOM 1679 N ASP A 107 17.102 9.129 -10.261 1.00 35.44 N ATOM 1680 CA ASP A 107 18.527 9.367 -10.234 1.00 4.44 C ATOM 1681 C ASP A 107 18.888 9.201 -8.747 1.00 73.33 C ATOM 1682 O ASP A 107 19.008 10.128 -7.951 1.00 24.30 O ATOM 1683 CB ASP A 107 18.788 10.825 -10.668 1.00 22.01 C ATOM 1684 CG ASP A 107 19.379 10.976 -12.069 1.00 72.15 C ATOM 1685 OD1 ASP A 107 18.795 10.429 -13.040 1.00 72.44 O ATOM 1686 OD2 ASP A 107 20.351 11.747 -12.211 1.00 54.23 O ATOM 0 H ASP A 107 16.559 9.973 -10.445 1.00 35.44 H new ATOM 0 HA ASP A 107 19.098 8.708 -10.887 1.00 4.44 H new ATOM 0 HB2 ASP A 107 17.849 11.377 -10.623 1.00 22.01 H new ATOM 0 HB3 ASP A 107 19.465 11.288 -9.950 1.00 22.01 H new ATOM 1691 N GLY A 108 18.872 7.928 -8.357 1.00 72.23 N ATOM 1692 CA GLY A 108 19.456 7.344 -7.168 1.00 55.44 C ATOM 1693 C GLY A 108 18.499 7.243 -5.987 1.00 53.12 C ATOM 1694 O GLY A 108 18.700 6.374 -5.143 1.00 35.03 O ATOM 0 H GLY A 108 18.405 7.220 -8.923 1.00 72.23 H new ATOM 0 HA2 GLY A 108 19.824 6.347 -7.410 1.00 55.44 H new ATOM 0 HA3 GLY A 108 20.320 7.939 -6.871 1.00 55.44 H new ATOM 1698 N LYS A 109 17.467 8.091 -5.904 1.00 51.41 N ATOM 1699 CA LYS A 109 16.554 8.064 -4.748 1.00 43.21 C ATOM 1700 C LYS A 109 15.401 7.113 -5.060 1.00 63.13 C ATOM 1701 O LYS A 109 15.024 7.019 -6.224 1.00 52.51 O ATOM 1702 CB LYS A 109 16.052 9.478 -4.407 1.00 75.21 C ATOM 1703 CG LYS A 109 17.184 10.518 -4.259 1.00 51.32 C ATOM 1704 CD LYS A 109 17.228 11.488 -5.446 1.00 34.30 C ATOM 1705 CE LYS A 109 18.585 12.191 -5.580 1.00 75.01 C ATOM 1706 NZ LYS A 109 18.488 13.345 -6.496 1.00 52.40 N ATOM 0 H LYS A 109 17.243 8.794 -6.608 1.00 51.41 H new ATOM 0 HA LYS A 109 17.084 7.703 -3.867 1.00 43.21 H new ATOM 0 HB2 LYS A 109 15.366 9.809 -5.187 1.00 75.21 H new ATOM 0 HB3 LYS A 109 15.483 9.438 -3.478 1.00 75.21 H new ATOM 0 HG2 LYS A 109 17.042 11.080 -3.336 1.00 51.32 H new ATOM 0 HG3 LYS A 109 18.141 10.003 -4.175 1.00 51.32 H new ATOM 0 HD2 LYS A 109 17.013 10.943 -6.365 1.00 34.30 H new ATOM 0 HD3 LYS A 109 16.445 12.237 -5.329 1.00 34.30 H new ATOM 0 HE2 LYS A 109 18.925 12.526 -4.600 1.00 75.01 H new ATOM 0 HE3 LYS A 109 19.329 11.487 -5.952 1.00 75.01 H new ATOM 0 HZ1 LYS A 109 19.417 13.806 -6.573 1.00 52.40 H new ATOM 0 HZ2 LYS A 109 18.185 13.018 -7.436 1.00 52.40 H new ATOM 0 HZ3 LYS A 109 17.793 14.025 -6.126 1.00 52.40 H new ATOM 1720 N TRP A 110 14.761 6.464 -4.091 1.00 43.42 N ATOM 1721 CA TRP A 110 13.523 5.719 -4.362 1.00 21.12 C ATOM 1722 C TRP A 110 12.320 6.639 -4.201 1.00 51.33 C ATOM 1723 O TRP A 110 12.430 7.694 -3.575 1.00 20.41 O ATOM 1724 CB TRP A 110 13.395 4.525 -3.416 1.00 15.23 C ATOM 1725 CG TRP A 110 14.258 3.358 -3.754 1.00 64.23 C ATOM 1726 CD1 TRP A 110 15.529 3.186 -3.348 1.00 3.22 C ATOM 1727 CD2 TRP A 110 13.970 2.236 -4.637 1.00 42.22 C ATOM 1728 NE1 TRP A 110 16.062 2.049 -3.925 1.00 1.33 N ATOM 1729 CE2 TRP A 110 15.133 1.416 -4.720 1.00 32.42 C ATOM 1730 CE3 TRP A 110 12.870 1.874 -5.439 1.00 3.30 C ATOM 1731 CZ2 TRP A 110 15.192 0.287 -5.548 1.00 13.32 C ATOM 1732 CZ3 TRP A 110 12.924 0.750 -6.280 1.00 35.30 C ATOM 1733 CH2 TRP A 110 14.072 -0.064 -6.310 1.00 71.03 C ATOM 0 H TRP A 110 15.070 6.435 -3.119 1.00 43.42 H new ATOM 0 HA TRP A 110 13.558 5.347 -5.386 1.00 21.12 H new ATOM 0 HB2 TRP A 110 13.635 4.854 -2.405 1.00 15.23 H new ATOM 0 HB3 TRP A 110 12.355 4.198 -3.406 1.00 15.23 H new ATOM 0 HD1 TRP A 110 16.056 3.841 -2.670 1.00 3.22 H new ATOM 0 HE1 TRP A 110 17.017 1.722 -3.781 1.00 1.33 H new ATOM 0 HE3 TRP A 110 11.970 2.470 -5.407 1.00 3.30 H new ATOM 0 HZ2 TRP A 110 16.093 -0.306 -5.598 1.00 13.32 H new ATOM 0 HZ3 TRP A 110 12.079 0.509 -6.908 1.00 35.30 H new ATOM 0 HH2 TRP A 110 14.088 -0.956 -6.919 1.00 71.03 H new ATOM 1744 N TYR A 111 11.168 6.231 -4.718 1.00 14.13 N ATOM 1745 CA TYR A 111 9.849 6.797 -4.479 1.00 44.53 C ATOM 1746 C TYR A 111 8.820 5.671 -4.684 1.00 40.14 C ATOM 1747 O TYR A 111 9.188 4.583 -5.136 1.00 61.12 O ATOM 1748 CB TYR A 111 9.624 8.037 -5.377 1.00 3.20 C ATOM 1749 CG TYR A 111 9.776 7.874 -6.879 1.00 11.13 C ATOM 1750 CD1 TYR A 111 11.024 7.628 -7.483 1.00 12.54 C ATOM 1751 CD2 TYR A 111 8.646 8.047 -7.688 1.00 74.25 C ATOM 1752 CE1 TYR A 111 11.130 7.511 -8.879 1.00 31.20 C ATOM 1753 CE2 TYR A 111 8.748 7.965 -9.087 1.00 23.20 C ATOM 1754 CZ TYR A 111 9.982 7.647 -9.682 1.00 61.31 C ATOM 1755 OH TYR A 111 10.059 7.500 -11.027 1.00 43.21 O ATOM 0 H TYR A 111 11.130 5.440 -5.361 1.00 14.13 H new ATOM 0 HA TYR A 111 9.742 7.168 -3.460 1.00 44.53 H new ATOM 0 HB2 TYR A 111 8.618 8.410 -5.183 1.00 3.20 H new ATOM 0 HB3 TYR A 111 10.319 8.812 -5.054 1.00 3.20 H new ATOM 0 HD1 TYR A 111 11.906 7.529 -6.868 1.00 12.54 H new ATOM 0 HD2 TYR A 111 7.687 8.245 -7.232 1.00 74.25 H new ATOM 0 HE1 TYR A 111 12.090 7.317 -9.335 1.00 31.20 H new ATOM 0 HE2 TYR A 111 7.880 8.146 -9.704 1.00 23.20 H new ATOM 0 HH TYR A 111 9.330 6.921 -11.335 1.00 43.21 H new ATOM 1765 N VAL A 112 7.552 5.881 -4.322 1.00 22.22 N ATOM 1766 CA VAL A 112 6.476 4.910 -4.515 1.00 13.24 C ATOM 1767 C VAL A 112 5.446 5.567 -5.439 1.00 75.13 C ATOM 1768 O VAL A 112 5.237 6.785 -5.357 1.00 51.55 O ATOM 1769 CB VAL A 112 5.850 4.519 -3.158 1.00 60.21 C ATOM 1770 CG1 VAL A 112 5.204 3.130 -3.199 1.00 42.43 C ATOM 1771 CG2 VAL A 112 6.822 4.566 -1.961 1.00 63.05 C ATOM 0 H VAL A 112 7.241 6.746 -3.879 1.00 22.22 H new ATOM 0 HA VAL A 112 6.851 3.989 -4.962 1.00 13.24 H new ATOM 0 HB VAL A 112 5.093 5.287 -2.999 1.00 60.21 H new ATOM 0 HG11 VAL A 112 4.777 2.898 -2.223 1.00 42.43 H new ATOM 0 HG12 VAL A 112 4.416 3.117 -3.952 1.00 42.43 H new ATOM 0 HG13 VAL A 112 5.959 2.385 -3.451 1.00 42.43 H new ATOM 0 HG21 VAL A 112 6.294 4.276 -1.052 1.00 63.05 H new ATOM 0 HG22 VAL A 112 7.648 3.877 -2.136 1.00 63.05 H new ATOM 0 HG23 VAL A 112 7.211 5.578 -1.848 1.00 63.05 H new ATOM 1781 N THR A 113 4.821 4.799 -6.329 1.00 71.44 N ATOM 1782 CA THR A 113 4.111 5.367 -7.473 1.00 35.10 C ATOM 1783 C THR A 113 2.763 4.717 -7.754 1.00 1.12 C ATOM 1784 O THR A 113 1.921 5.366 -8.385 1.00 3.31 O ATOM 1785 CB THR A 113 5.028 5.259 -8.691 1.00 4.54 C ATOM 1786 OG1 THR A 113 5.650 3.993 -8.725 1.00 52.32 O ATOM 1787 CG2 THR A 113 6.133 6.287 -8.622 1.00 54.45 C ATOM 0 H THR A 113 4.792 3.781 -6.280 1.00 71.44 H new ATOM 0 HA THR A 113 3.876 6.406 -7.240 1.00 35.10 H new ATOM 0 HB THR A 113 4.410 5.417 -9.575 1.00 4.54 H new ATOM 0 HG1 THR A 113 6.615 4.106 -8.851 1.00 52.32 H new ATOM 0 HG21 THR A 113 6.774 6.192 -9.499 1.00 54.45 H new ATOM 0 HG22 THR A 113 5.699 7.287 -8.596 1.00 54.45 H new ATOM 0 HG23 THR A 113 6.725 6.125 -7.721 1.00 54.45 H new ATOM 1795 N ASP A 114 2.518 3.513 -7.226 1.00 0.42 N ATOM 1796 CA ASP A 114 1.193 2.901 -7.203 1.00 15.53 C ATOM 1797 C ASP A 114 0.975 2.157 -5.884 1.00 13.14 C ATOM 1798 O ASP A 114 1.952 1.923 -5.160 1.00 64.23 O ATOM 1799 CB ASP A 114 0.976 1.950 -8.386 1.00 13.53 C ATOM 1800 CG ASP A 114 -0.515 1.635 -8.515 1.00 52.54 C ATOM 1801 OD1 ASP A 114 -1.310 2.519 -8.114 1.00 2.50 O ATOM 1802 OD2 ASP A 114 -0.866 0.529 -8.974 1.00 53.21 O ATOM 0 H ASP A 114 3.242 2.934 -6.800 1.00 0.42 H new ATOM 0 HA ASP A 114 0.463 3.706 -7.291 1.00 15.53 H new ATOM 0 HB2 ASP A 114 1.344 2.405 -9.305 1.00 13.53 H new ATOM 0 HB3 ASP A 114 1.542 1.031 -8.237 1.00 13.53 H new ATOM 1807 N CYS A 115 -0.272 1.825 -5.532 1.00 24.12 N ATOM 1808 CA CYS A 115 -0.622 0.983 -4.394 1.00 0.41 C ATOM 1809 C CYS A 115 -2.041 0.432 -4.544 1.00 23.00 C ATOM 1810 O CYS A 115 -2.939 1.105 -5.043 1.00 35.10 O ATOM 1811 CB CYS A 115 -0.409 1.793 -3.104 1.00 40.55 C ATOM 1812 SG CYS A 115 -0.921 0.944 -1.587 1.00 63.44 S ATOM 0 H CYS A 115 -1.088 2.148 -6.051 1.00 24.12 H new ATOM 0 HA CYS A 115 0.025 0.107 -4.347 1.00 0.41 H new ATOM 0 HB2 CYS A 115 0.647 2.050 -3.022 1.00 40.55 H new ATOM 0 HB3 CYS A 115 -0.960 2.730 -3.184 1.00 40.55 H new ATOM 0 HG CYS A 115 -0.697 1.712 -0.563 1.00 63.44 H new ATOM 1818 N TYR A 116 -2.248 -0.782 -4.052 1.00 3.12 N ATOM 1819 CA TYR A 116 -3.535 -1.368 -3.720 1.00 55.11 C ATOM 1820 C TYR A 116 -3.417 -1.774 -2.255 1.00 34.23 C ATOM 1821 O TYR A 116 -2.312 -2.108 -1.807 1.00 3.52 O ATOM 1822 CB TYR A 116 -3.781 -2.571 -4.630 1.00 33.33 C ATOM 1823 CG TYR A 116 -5.107 -3.291 -4.473 1.00 0.34 C ATOM 1824 CD1 TYR A 116 -6.330 -2.602 -4.601 1.00 75.31 C ATOM 1825 CD2 TYR A 116 -5.108 -4.679 -4.248 1.00 42.35 C ATOM 1826 CE1 TYR A 116 -7.550 -3.301 -4.508 1.00 0.21 C ATOM 1827 CE2 TYR A 116 -6.324 -5.381 -4.189 1.00 75.24 C ATOM 1828 CZ TYR A 116 -7.552 -4.699 -4.306 1.00 35.10 C ATOM 1829 OH TYR A 116 -8.737 -5.368 -4.262 1.00 35.11 O ATOM 0 H TYR A 116 -1.475 -1.420 -3.864 1.00 3.12 H new ATOM 0 HA TYR A 116 -4.375 -0.688 -3.863 1.00 55.11 H new ATOM 0 HB2 TYR A 116 -3.697 -2.237 -5.664 1.00 33.33 H new ATOM 0 HB3 TYR A 116 -2.981 -3.292 -4.462 1.00 33.33 H new ATOM 0 HD1 TYR A 116 -6.332 -1.535 -4.771 1.00 75.31 H new ATOM 0 HD2 TYR A 116 -4.174 -5.206 -4.120 1.00 42.35 H new ATOM 0 HE1 TYR A 116 -8.485 -2.767 -4.591 1.00 0.21 H new ATOM 0 HE2 TYR A 116 -6.318 -6.452 -4.053 1.00 75.24 H new ATOM 0 HH TYR A 116 -8.606 -6.237 -3.827 1.00 35.11 H new ATOM 1839 N ASN A 117 -4.504 -1.670 -1.488 1.00 4.43 N ATOM 1840 CA ASN A 117 -4.523 -2.001 -0.066 1.00 11.21 C ATOM 1841 C ASN A 117 -5.960 -2.257 0.354 1.00 74.32 C ATOM 1842 O ASN A 117 -6.851 -1.515 -0.060 1.00 0.24 O ATOM 1843 CB ASN A 117 -3.980 -0.848 0.791 1.00 0.14 C ATOM 1844 CG ASN A 117 -3.677 -1.293 2.224 1.00 43.45 C ATOM 1845 OD1 ASN A 117 -3.817 -2.451 2.594 1.00 55.34 O ATOM 1846 ND2 ASN A 117 -3.226 -0.371 3.052 1.00 11.20 N ATOM 0 H ASN A 117 -5.405 -1.350 -1.843 1.00 4.43 H new ATOM 0 HA ASN A 117 -3.894 -2.878 0.085 1.00 11.21 H new ATOM 0 HB2 ASN A 117 -3.073 -0.453 0.334 1.00 0.14 H new ATOM 0 HB3 ASN A 117 -4.707 -0.036 0.809 1.00 0.14 H new ATOM 0 HD21 ASN A 117 -2.990 -0.620 4.013 1.00 11.20 H new ATOM 0 HD22 ASN A 117 -3.114 0.591 2.732 1.00 11.20 H new ATOM 1853 N ASP A 118 -6.151 -3.254 1.210 1.00 15.54 N ATOM 1854 CA ASP A 118 -7.397 -3.962 1.548 1.00 12.23 C ATOM 1855 C ASP A 118 -8.500 -3.146 2.227 1.00 12.52 C ATOM 1856 O ASP A 118 -9.505 -3.690 2.683 1.00 73.32 O ATOM 1857 CB ASP A 118 -7.037 -5.212 2.358 1.00 21.40 C ATOM 1858 CG ASP A 118 -7.951 -6.380 2.013 1.00 73.04 C ATOM 1859 OD1 ASP A 118 -7.833 -6.860 0.860 1.00 23.04 O ATOM 1860 OD2 ASP A 118 -8.720 -6.803 2.919 1.00 72.11 O ATOM 0 H ASP A 118 -5.365 -3.629 1.741 1.00 15.54 H new ATOM 0 HA ASP A 118 -7.860 -4.216 0.595 1.00 12.23 H new ATOM 0 HB2 ASP A 118 -6.001 -5.489 2.162 1.00 21.40 H new ATOM 0 HB3 ASP A 118 -7.112 -4.991 3.423 1.00 21.40 H new ATOM 1865 N TRP A 119 -8.360 -1.825 2.273 1.00 75.31 N ATOM 1866 CA TRP A 119 -9.387 -0.908 2.748 1.00 1.23 C ATOM 1867 C TRP A 119 -10.419 -0.555 1.666 1.00 41.21 C ATOM 1868 O TRP A 119 -11.389 0.130 1.984 1.00 34.40 O ATOM 1869 CB TRP A 119 -8.695 0.349 3.300 1.00 71.12 C ATOM 1870 CG TRP A 119 -8.033 0.143 4.631 1.00 62.41 C ATOM 1871 CD1 TRP A 119 -6.741 -0.193 4.853 1.00 62.05 C ATOM 1872 CD2 TRP A 119 -8.655 0.205 5.949 1.00 33.30 C ATOM 1873 NE1 TRP A 119 -6.526 -0.324 6.211 1.00 22.14 N ATOM 1874 CE2 TRP A 119 -7.670 -0.075 6.941 1.00 15.11 C ATOM 1875 CE3 TRP A 119 -9.965 0.470 6.398 1.00 60.12 C ATOM 1876 CZ2 TRP A 119 -7.969 -0.059 8.315 1.00 4.04 C ATOM 1877 CZ3 TRP A 119 -10.284 0.444 7.767 1.00 40.03 C ATOM 1878 CH2 TRP A 119 -9.287 0.195 8.725 1.00 32.23 C ATOM 0 H TRP A 119 -7.507 -1.352 1.973 1.00 75.31 H new ATOM 0 HA TRP A 119 -9.956 -1.399 3.538 1.00 1.23 H new ATOM 0 HB2 TRP A 119 -7.948 0.686 2.582 1.00 71.12 H new ATOM 0 HB3 TRP A 119 -9.432 1.147 3.391 1.00 71.12 H new ATOM 0 HD1 TRP A 119 -5.994 -0.337 4.087 1.00 62.05 H new ATOM 0 HE1 TRP A 119 -5.628 -0.575 6.625 1.00 22.14 H new ATOM 0 HE3 TRP A 119 -10.737 0.697 5.678 1.00 60.12 H new ATOM 0 HZ2 TRP A 119 -7.194 -0.240 9.045 1.00 4.04 H new ATOM 0 HZ3 TRP A 119 -11.302 0.617 8.084 1.00 40.03 H new ATOM 0 HH2 TRP A 119 -9.535 0.199 9.776 1.00 32.23 H new ATOM 1889 N TYR A 120 -10.243 -0.959 0.397 1.00 24.23 N ATOM 1890 CA TYR A 120 -11.004 -0.377 -0.713 1.00 32.10 C ATOM 1891 C TYR A 120 -11.510 -1.429 -1.723 1.00 73.13 C ATOM 1892 O TYR A 120 -11.431 -1.226 -2.940 1.00 53.54 O ATOM 1893 CB TYR A 120 -10.165 0.732 -1.376 1.00 32.14 C ATOM 1894 CG TYR A 120 -9.596 1.826 -0.476 1.00 1.41 C ATOM 1895 CD1 TYR A 120 -10.454 2.734 0.180 1.00 11.50 C ATOM 1896 CD2 TYR A 120 -8.199 1.970 -0.333 1.00 51.45 C ATOM 1897 CE1 TYR A 120 -9.930 3.796 0.942 1.00 35.03 C ATOM 1898 CE2 TYR A 120 -7.669 3.044 0.408 1.00 61.31 C ATOM 1899 CZ TYR A 120 -8.537 3.966 1.035 1.00 22.01 C ATOM 1900 OH TYR A 120 -8.056 5.048 1.702 1.00 71.02 O ATOM 0 H TYR A 120 -9.582 -1.684 0.118 1.00 24.23 H new ATOM 0 HA TYR A 120 -11.914 0.066 -0.308 1.00 32.10 H new ATOM 0 HB2 TYR A 120 -9.332 0.257 -1.895 1.00 32.14 H new ATOM 0 HB3 TYR A 120 -10.783 1.211 -2.136 1.00 32.14 H new ATOM 0 HD1 TYR A 120 -11.524 2.613 0.097 1.00 11.50 H new ATOM 0 HD2 TYR A 120 -7.534 1.254 -0.793 1.00 51.45 H new ATOM 0 HE1 TYR A 120 -10.595 4.477 1.453 1.00 35.03 H new ATOM 0 HE2 TYR A 120 -6.599 3.163 0.497 1.00 61.31 H new ATOM 0 HH TYR A 120 -7.086 5.106 1.575 1.00 71.02 H new ATOM 1910 N ASN A 121 -12.003 -2.568 -1.226 1.00 12.52 N ATOM 1911 CA ASN A 121 -12.315 -3.763 -2.026 1.00 64.03 C ATOM 1912 C ASN A 121 -13.664 -3.673 -2.748 1.00 33.12 C ATOM 1913 O ASN A 121 -14.461 -2.769 -2.503 1.00 21.13 O ATOM 1914 CB ASN A 121 -12.359 -5.018 -1.134 1.00 31.13 C ATOM 1915 CG ASN A 121 -11.259 -5.046 -0.103 1.00 31.04 C ATOM 1916 OD1 ASN A 121 -10.098 -5.208 -0.439 1.00 3.13 O ATOM 1917 ND2 ASN A 121 -11.581 -4.765 1.145 1.00 63.12 N ATOM 0 H ASN A 121 -12.202 -2.690 -0.233 1.00 12.52 H new ATOM 0 HA ASN A 121 -11.520 -3.827 -2.769 1.00 64.03 H new ATOM 0 HB2 ASN A 121 -13.324 -5.065 -0.629 1.00 31.13 H new ATOM 0 HB3 ASN A 121 -12.284 -5.906 -1.762 1.00 31.13 H new ATOM 0 HD21 ASN A 121 -10.852 -4.679 1.853 1.00 63.12 H new ATOM 0 HD22 ASN A 121 -12.559 -4.634 1.402 1.00 63.12 H new ATOM 1924 N PHE A 122 -13.994 -4.698 -3.542 1.00 52.21 N ATOM 1925 CA PHE A 122 -15.323 -4.946 -4.092 1.00 13.54 C ATOM 1926 C PHE A 122 -16.394 -5.040 -2.995 1.00 64.24 C ATOM 1927 O PHE A 122 -17.552 -4.708 -3.254 1.00 1.32 O ATOM 1928 CB PHE A 122 -15.299 -6.240 -4.927 1.00 74.33 C ATOM 1929 CG PHE A 122 -15.097 -6.033 -6.418 1.00 13.23 C ATOM 1930 CD1 PHE A 122 -16.146 -5.520 -7.200 1.00 61.13 C ATOM 1931 CD2 PHE A 122 -13.882 -6.373 -7.037 1.00 1.32 C ATOM 1932 CE1 PHE A 122 -15.978 -5.343 -8.585 1.00 73.44 C ATOM 1933 CE2 PHE A 122 -13.691 -6.140 -8.410 1.00 54.35 C ATOM 1934 CZ PHE A 122 -14.743 -5.631 -9.190 1.00 53.23 C ATOM 0 H PHE A 122 -13.313 -5.402 -3.827 1.00 52.21 H new ATOM 0 HA PHE A 122 -15.588 -4.100 -4.727 1.00 13.54 H new ATOM 0 HB2 PHE A 122 -14.502 -6.882 -4.553 1.00 74.33 H new ATOM 0 HB3 PHE A 122 -16.237 -6.773 -4.772 1.00 74.33 H new ATOM 0 HD1 PHE A 122 -17.086 -5.260 -6.735 1.00 61.13 H new ATOM 0 HD2 PHE A 122 -13.089 -6.817 -6.453 1.00 1.32 H new ATOM 0 HE1 PHE A 122 -16.801 -4.985 -9.186 1.00 73.44 H new ATOM 0 HE2 PHE A 122 -12.735 -6.352 -8.866 1.00 54.35 H new ATOM 0 HZ PHE A 122 -14.603 -5.462 -10.248 1.00 53.23 H new ATOM 1944 N ASP A 123 -16.038 -5.477 -1.784 1.00 21.20 N ATOM 1945 CA ASP A 123 -16.931 -5.544 -0.621 1.00 72.22 C ATOM 1946 C ASP A 123 -17.161 -4.159 0.022 1.00 40.15 C ATOM 1947 O ASP A 123 -17.544 -4.080 1.186 1.00 35.11 O ATOM 1948 CB ASP A 123 -16.393 -6.568 0.399 1.00 22.43 C ATOM 1949 CG ASP A 123 -17.500 -7.169 1.274 1.00 23.34 C ATOM 1950 OD1 ASP A 123 -18.282 -7.974 0.716 1.00 35.22 O ATOM 1951 OD2 ASP A 123 -17.519 -6.945 2.510 1.00 60.31 O ATOM 0 H ASP A 123 -15.094 -5.804 -1.578 1.00 21.20 H new ATOM 0 HA ASP A 123 -17.908 -5.881 -0.966 1.00 72.22 H new ATOM 0 HB2 ASP A 123 -15.880 -7.370 -0.133 1.00 22.43 H new ATOM 0 HB3 ASP A 123 -15.653 -6.085 1.037 1.00 22.43 H new ATOM 1956 N LEU A 124 -16.877 -3.050 -0.682 1.00 75.31 N ATOM 1957 CA LEU A 124 -16.886 -1.686 -0.149 1.00 22.31 C ATOM 1958 C LEU A 124 -17.817 -0.776 -0.973 1.00 0.24 C ATOM 1959 O LEU A 124 -17.367 -0.145 -1.933 1.00 24.21 O ATOM 1960 CB LEU A 124 -15.448 -1.133 -0.063 1.00 31.01 C ATOM 1961 CG LEU A 124 -15.217 -0.120 1.068 1.00 22.20 C ATOM 1962 CD1 LEU A 124 -16.321 0.932 1.238 1.00 52.23 C ATOM 1963 CD2 LEU A 124 -15.005 -0.879 2.378 1.00 15.32 C ATOM 0 H LEU A 124 -16.627 -3.085 -1.670 1.00 75.31 H new ATOM 0 HA LEU A 124 -17.287 -1.707 0.864 1.00 22.31 H new ATOM 0 HB2 LEU A 124 -14.760 -1.968 0.069 1.00 31.01 H new ATOM 0 HB3 LEU A 124 -15.198 -0.660 -1.013 1.00 31.01 H new ATOM 0 HG LEU A 124 -14.331 0.450 0.788 1.00 22.20 H new ATOM 0 HD11 LEU A 124 -16.064 1.599 2.061 1.00 52.23 H new ATOM 0 HD12 LEU A 124 -16.417 1.510 0.319 1.00 52.23 H new ATOM 0 HD13 LEU A 124 -17.267 0.435 1.455 1.00 52.23 H new ATOM 0 HD21 LEU A 124 -14.840 -0.168 3.188 1.00 15.32 H new ATOM 0 HD22 LEU A 124 -15.887 -1.480 2.597 1.00 15.32 H new ATOM 0 HD23 LEU A 124 -14.136 -1.531 2.285 1.00 15.32 H new ATOM 1975 N PRO A 125 -19.125 -0.713 -0.685 1.00 21.03 N ATOM 1976 CA PRO A 125 -20.040 0.125 -1.449 1.00 52.32 C ATOM 1977 C PRO A 125 -19.780 1.610 -1.161 1.00 52.22 C ATOM 1978 O PRO A 125 -19.368 1.979 -0.058 1.00 4.20 O ATOM 1979 CB PRO A 125 -21.424 -0.309 -0.975 1.00 12.12 C ATOM 1980 CG PRO A 125 -21.182 -0.671 0.489 1.00 20.20 C ATOM 1981 CD PRO A 125 -19.817 -1.351 0.424 1.00 60.15 C ATOM 0 HA PRO A 125 -19.924 0.011 -2.527 1.00 52.32 H new ATOM 0 HB2 PRO A 125 -22.156 0.492 -1.078 1.00 12.12 H new ATOM 0 HB3 PRO A 125 -21.799 -1.159 -1.545 1.00 12.12 H new ATOM 0 HG2 PRO A 125 -21.169 0.210 1.131 1.00 20.20 H new ATOM 0 HG3 PRO A 125 -21.952 -1.337 0.878 1.00 20.20 H new ATOM 0 HD2 PRO A 125 -19.268 -1.222 1.357 1.00 60.15 H new ATOM 0 HD3 PRO A 125 -19.919 -2.424 0.260 1.00 60.15 H new ATOM 1989 N ILE A 126 -20.099 2.494 -2.117 1.00 32.42 N ATOM 1990 CA ILE A 126 -19.877 3.935 -1.928 1.00 21.13 C ATOM 1991 C ILE A 126 -20.669 4.455 -0.718 1.00 51.44 C ATOM 1992 O ILE A 126 -20.170 5.321 0.001 1.00 51.50 O ATOM 1993 CB ILE A 126 -20.165 4.778 -3.196 1.00 40.30 C ATOM 1994 CG1 ILE A 126 -19.432 4.256 -4.451 1.00 34.35 C ATOM 1995 CG2 ILE A 126 -19.700 6.230 -2.973 1.00 33.34 C ATOM 1996 CD1 ILE A 126 -20.322 3.420 -5.356 1.00 21.01 C ATOM 0 H ILE A 126 -20.506 2.242 -3.017 1.00 32.42 H new ATOM 0 HA ILE A 126 -18.812 4.057 -1.729 1.00 21.13 H new ATOM 0 HB ILE A 126 -21.240 4.711 -3.364 1.00 40.30 H new ATOM 0 HG12 ILE A 126 -19.043 5.103 -5.016 1.00 34.35 H new ATOM 0 HG13 ILE A 126 -18.575 3.658 -4.142 1.00 34.35 H new ATOM 0 HG21 ILE A 126 -19.904 6.819 -3.867 1.00 33.34 H new ATOM 0 HG22 ILE A 126 -20.236 6.658 -2.126 1.00 33.34 H new ATOM 0 HG23 ILE A 126 -18.630 6.242 -2.768 1.00 33.34 H new ATOM 0 HD11 ILE A 126 -19.749 3.083 -6.220 1.00 21.01 H new ATOM 0 HD12 ILE A 126 -20.691 2.555 -4.805 1.00 21.01 H new ATOM 0 HD13 ILE A 126 -21.166 4.022 -5.693 1.00 21.01 H new ATOM 2008 N ASN A 127 -21.866 3.907 -0.465 1.00 64.30 N ATOM 2009 CA ASN A 127 -22.757 4.363 0.607 1.00 4.24 C ATOM 2010 C ASN A 127 -22.181 4.189 2.019 1.00 14.13 C ATOM 2011 O ASN A 127 -22.759 4.714 2.966 1.00 72.02 O ATOM 2012 CB ASN A 127 -24.158 3.733 0.477 1.00 41.42 C ATOM 2013 CG ASN A 127 -24.423 2.499 1.338 1.00 72.13 C ATOM 2014 OD1 ASN A 127 -23.870 1.357 0.969 1.00 42.23 O flip ATOM 2015 ND2 ASN A 127 -25.209 2.542 2.282 1.00 73.04 N flip ATOM 0 H ASN A 127 -22.245 3.128 -1.004 1.00 64.30 H new ATOM 0 HA ASN A 127 -22.853 5.440 0.472 1.00 4.24 H new ATOM 0 HB2 ASN A 127 -24.900 4.492 0.727 1.00 41.42 H new ATOM 0 HB3 ASN A 127 -24.317 3.463 -0.567 1.00 41.42 H new ATOM 0 HD21 ASN A 127 -25.629 3.430 2.556 1.00 73.04 H new ATOM 0 HD22 ASN A 127 -25.442 1.689 2.791 1.00 73.04 H new ATOM 2022 N GLU A 128 -21.051 3.494 2.170 1.00 0.21 N ATOM 2023 CA GLU A 128 -20.342 3.314 3.442 1.00 42.21 C ATOM 2024 C GLU A 128 -18.883 3.809 3.361 1.00 15.42 C ATOM 2025 O GLU A 128 -18.132 3.745 4.337 1.00 33.04 O ATOM 2026 CB GLU A 128 -20.431 1.832 3.847 1.00 24.34 C ATOM 2027 CG GLU A 128 -21.865 1.397 4.212 1.00 60.32 C ATOM 2028 CD GLU A 128 -21.969 0.887 5.648 1.00 63.33 C ATOM 2029 OE1 GLU A 128 -22.091 1.722 6.568 1.00 55.15 O ATOM 2030 OE2 GLU A 128 -21.910 -0.351 5.846 1.00 23.54 O ATOM 0 H GLU A 128 -20.590 3.027 1.389 1.00 0.21 H new ATOM 0 HA GLU A 128 -20.816 3.923 4.211 1.00 42.21 H new ATOM 0 HB2 GLU A 128 -20.066 1.213 3.027 1.00 24.34 H new ATOM 0 HB3 GLU A 128 -19.774 1.653 4.698 1.00 24.34 H new ATOM 0 HG2 GLU A 128 -22.543 2.240 4.078 1.00 60.32 H new ATOM 0 HG3 GLU A 128 -22.190 0.614 3.527 1.00 60.32 H new ATOM 2037 N LEU A 129 -18.451 4.330 2.208 1.00 61.12 N ATOM 2038 CA LEU A 129 -17.059 4.696 1.959 1.00 3.21 C ATOM 2039 C LEU A 129 -16.584 5.831 2.868 1.00 1.32 C ATOM 2040 O LEU A 129 -15.440 5.841 3.319 1.00 63.12 O ATOM 2041 CB LEU A 129 -16.907 5.075 0.478 1.00 2.45 C ATOM 2042 CG LEU A 129 -15.468 5.429 0.068 1.00 40.13 C ATOM 2043 CD1 LEU A 129 -14.468 4.333 0.453 1.00 35.44 C ATOM 2044 CD2 LEU A 129 -15.411 5.641 -1.450 1.00 15.22 C ATOM 0 H LEU A 129 -19.067 4.510 1.415 1.00 61.12 H new ATOM 0 HA LEU A 129 -16.427 3.838 2.191 1.00 3.21 H new ATOM 0 HB2 LEU A 129 -17.255 4.245 -0.137 1.00 2.45 H new ATOM 0 HB3 LEU A 129 -17.555 5.925 0.263 1.00 2.45 H new ATOM 0 HG LEU A 129 -15.190 6.339 0.600 1.00 40.13 H new ATOM 0 HD11 LEU A 129 -13.466 4.629 0.143 1.00 35.44 H new ATOM 0 HD12 LEU A 129 -14.485 4.188 1.533 1.00 35.44 H new ATOM 0 HD13 LEU A 129 -14.741 3.401 -0.043 1.00 35.44 H new ATOM 0 HD21 LEU A 129 -14.392 5.892 -1.744 1.00 15.22 H new ATOM 0 HD22 LEU A 129 -15.720 4.727 -1.957 1.00 15.22 H new ATOM 0 HD23 LEU A 129 -16.080 6.455 -1.729 1.00 15.22 H new ATOM 2056 N GLU A 130 -17.462 6.796 3.126 1.00 4.11 N ATOM 2057 CA GLU A 130 -17.194 7.988 3.928 1.00 43.34 C ATOM 2058 C GLU A 130 -16.820 7.681 5.378 1.00 12.12 C ATOM 2059 O GLU A 130 -16.235 8.546 6.035 1.00 75.50 O ATOM 2060 CB GLU A 130 -18.424 8.910 3.879 1.00 55.52 C ATOM 2061 CG GLU A 130 -18.638 9.511 2.479 1.00 74.32 C ATOM 2062 CD GLU A 130 -19.792 10.516 2.419 1.00 3.41 C ATOM 2063 OE1 GLU A 130 -19.632 11.658 2.899 1.00 53.30 O ATOM 2064 OE2 GLU A 130 -20.832 10.195 1.792 1.00 21.15 O ATOM 0 H GLU A 130 -18.417 6.769 2.769 1.00 4.11 H new ATOM 0 HA GLU A 130 -16.323 8.480 3.494 1.00 43.34 H new ATOM 0 HB2 GLU A 130 -19.311 8.348 4.172 1.00 55.52 H new ATOM 0 HB3 GLU A 130 -18.303 9.715 4.604 1.00 55.52 H new ATOM 0 HG2 GLU A 130 -17.720 10.004 2.159 1.00 74.32 H new ATOM 0 HG3 GLU A 130 -18.831 8.705 1.771 1.00 74.32 H new ATOM 2071 N GLU A 131 -17.106 6.475 5.874 1.00 55.42 N ATOM 2072 CA GLU A 131 -16.622 6.050 7.183 1.00 13.24 C ATOM 2073 C GLU A 131 -15.367 5.177 7.062 1.00 32.15 C ATOM 2074 O GLU A 131 -14.444 5.325 7.859 1.00 54.01 O ATOM 2075 CB GLU A 131 -17.735 5.370 7.996 1.00 2.11 C ATOM 2076 CG GLU A 131 -17.576 5.800 9.458 1.00 61.30 C ATOM 2077 CD GLU A 131 -18.370 4.946 10.446 1.00 22.23 C ATOM 2078 OE1 GLU A 131 -19.613 4.897 10.358 1.00 20.34 O ATOM 2079 OE2 GLU A 131 -17.715 4.408 11.376 1.00 22.50 O ATOM 0 H GLU A 131 -17.670 5.778 5.387 1.00 55.42 H new ATOM 0 HA GLU A 131 -16.328 6.942 7.737 1.00 13.24 H new ATOM 0 HB2 GLU A 131 -18.716 5.659 7.617 1.00 2.11 H new ATOM 0 HB3 GLU A 131 -17.665 4.286 7.907 1.00 2.11 H new ATOM 0 HG2 GLU A 131 -16.520 5.760 9.725 1.00 61.30 H new ATOM 0 HG3 GLU A 131 -17.890 6.839 9.557 1.00 61.30 H new ATOM 2086 N THR A 132 -15.246 4.345 6.023 1.00 21.13 N ATOM 2087 CA THR A 132 -14.059 3.522 5.792 1.00 51.23 C ATOM 2088 C THR A 132 -12.821 4.409 5.642 1.00 60.44 C ATOM 2089 O THR A 132 -11.751 4.103 6.171 1.00 73.23 O ATOM 2090 CB THR A 132 -14.324 2.669 4.540 1.00 11.40 C ATOM 2091 OG1 THR A 132 -15.233 1.644 4.892 1.00 74.01 O ATOM 2092 CG2 THR A 132 -13.079 2.076 3.872 1.00 34.41 C ATOM 0 H THR A 132 -15.972 4.224 5.317 1.00 21.13 H new ATOM 0 HA THR A 132 -13.863 2.863 6.638 1.00 51.23 H new ATOM 0 HB THR A 132 -14.736 3.339 3.786 1.00 11.40 H new ATOM 0 HG1 THR A 132 -15.969 1.623 4.245 1.00 74.01 H new ATOM 0 HG21 THR A 132 -13.377 1.493 3.000 1.00 34.41 H new ATOM 0 HG22 THR A 132 -12.415 2.882 3.560 1.00 34.41 H new ATOM 0 HG23 THR A 132 -12.559 1.430 4.580 1.00 34.41 H new ATOM 2100 N ILE A 133 -12.964 5.533 4.941 1.00 52.13 N ATOM 2101 CA ILE A 133 -11.880 6.481 4.741 1.00 43.21 C ATOM 2102 C ILE A 133 -11.485 7.138 6.068 1.00 40.21 C ATOM 2103 O ILE A 133 -10.357 7.604 6.207 1.00 62.14 O ATOM 2104 CB ILE A 133 -12.291 7.480 3.647 1.00 60.31 C ATOM 2105 CG1 ILE A 133 -12.345 6.706 2.315 1.00 22.25 C ATOM 2106 CG2 ILE A 133 -11.279 8.616 3.487 1.00 61.24 C ATOM 2107 CD1 ILE A 133 -12.732 7.557 1.113 1.00 1.34 C ATOM 0 H ILE A 133 -13.840 5.808 4.496 1.00 52.13 H new ATOM 0 HA ILE A 133 -10.980 5.973 4.393 1.00 43.21 H new ATOM 0 HB ILE A 133 -13.250 7.919 3.923 1.00 60.31 H new ATOM 0 HG12 ILE A 133 -11.369 6.257 2.129 1.00 22.25 H new ATOM 0 HG13 ILE A 133 -13.059 5.888 2.412 1.00 22.25 H new ATOM 0 HG21 ILE A 133 -11.615 9.294 2.703 1.00 61.24 H new ATOM 0 HG22 ILE A 133 -11.193 9.162 4.427 1.00 61.24 H new ATOM 0 HG23 ILE A 133 -10.307 8.202 3.218 1.00 61.24 H new ATOM 0 HD11 ILE A 133 -12.746 6.936 0.217 1.00 1.34 H new ATOM 0 HD12 ILE A 133 -13.721 7.985 1.274 1.00 1.34 H new ATOM 0 HD13 ILE A 133 -12.006 8.360 0.986 1.00 1.34 H new ATOM 2119 N GLN A 134 -12.367 7.167 7.061 1.00 23.55 N ATOM 2120 CA GLN A 134 -11.990 7.628 8.392 1.00 60.32 C ATOM 2121 C GLN A 134 -11.266 6.525 9.158 1.00 12.05 C ATOM 2122 O GLN A 134 -10.220 6.792 9.748 1.00 4.13 O ATOM 2123 CB GLN A 134 -13.221 8.139 9.144 1.00 24.23 C ATOM 2124 CG GLN A 134 -13.916 9.282 8.391 1.00 40.43 C ATOM 2125 CD GLN A 134 -13.345 10.660 8.715 1.00 21.24 C ATOM 2126 OE1 GLN A 134 -12.136 10.869 8.855 1.00 14.24 O ATOM 2127 NE2 GLN A 134 -14.229 11.630 8.851 1.00 55.41 N ATOM 0 H GLN A 134 -13.341 6.879 6.971 1.00 23.55 H new ATOM 0 HA GLN A 134 -11.294 8.462 8.297 1.00 60.32 H new ATOM 0 HB2 GLN A 134 -13.924 7.319 9.289 1.00 24.23 H new ATOM 0 HB3 GLN A 134 -12.924 8.484 10.135 1.00 24.23 H new ATOM 0 HG2 GLN A 134 -13.831 9.105 7.319 1.00 40.43 H new ATOM 0 HG3 GLN A 134 -14.979 9.272 8.632 1.00 40.43 H new ATOM 0 HE21 GLN A 134 -15.223 11.435 8.731 1.00 55.41 H new ATOM 0 HE22 GLN A 134 -13.918 12.575 9.076 1.00 55.41 H new ATOM 2136 N ALA A 135 -11.777 5.294 9.103 1.00 41.31 N ATOM 2137 CA ALA A 135 -11.211 4.136 9.785 1.00 54.31 C ATOM 2138 C ALA A 135 -9.761 3.880 9.364 1.00 2.21 C ATOM 2139 O ALA A 135 -8.895 3.631 10.202 1.00 41.01 O ATOM 2140 CB ALA A 135 -12.088 2.919 9.493 1.00 23.52 C ATOM 0 H ALA A 135 -12.617 5.072 8.569 1.00 41.31 H new ATOM 0 HA ALA A 135 -11.194 4.331 10.857 1.00 54.31 H new ATOM 0 HB1 ALA A 135 -11.676 2.045 9.997 1.00 23.52 H new ATOM 0 HB2 ALA A 135 -13.099 3.104 9.855 1.00 23.52 H new ATOM 0 HB3 ALA A 135 -12.115 2.739 8.418 1.00 23.52 H new ATOM 2146 N VAL A 136 -9.447 4.007 8.075 1.00 61.25 N ATOM 2147 CA VAL A 136 -8.073 3.817 7.612 1.00 21.40 C ATOM 2148 C VAL A 136 -7.152 4.876 8.243 1.00 55.33 C ATOM 2149 O VAL A 136 -6.012 4.587 8.617 1.00 64.15 O ATOM 2150 CB VAL A 136 -8.047 3.764 6.071 1.00 3.52 C ATOM 2151 CG1 VAL A 136 -8.494 5.054 5.394 1.00 24.00 C ATOM 2152 CG2 VAL A 136 -6.671 3.406 5.513 1.00 31.24 C ATOM 0 H VAL A 136 -10.116 4.238 7.341 1.00 61.25 H new ATOM 0 HA VAL A 136 -7.676 2.858 7.945 1.00 21.40 H new ATOM 0 HB VAL A 136 -8.766 2.978 5.840 1.00 3.52 H new ATOM 0 HG11 VAL A 136 -8.446 4.932 4.312 1.00 24.00 H new ATOM 0 HG12 VAL A 136 -9.518 5.284 5.689 1.00 24.00 H new ATOM 0 HG13 VAL A 136 -7.838 5.870 5.697 1.00 24.00 H new ATOM 0 HG21 VAL A 136 -6.714 3.384 4.424 1.00 31.24 H new ATOM 0 HG22 VAL A 136 -5.944 4.152 5.832 1.00 31.24 H new ATOM 0 HG23 VAL A 136 -6.372 2.426 5.884 1.00 31.24 H new ATOM 2162 N GLN A 137 -7.661 6.100 8.423 1.00 44.23 N ATOM 2163 CA GLN A 137 -6.918 7.217 8.985 1.00 60.10 C ATOM 2164 C GLN A 137 -6.893 7.180 10.521 1.00 55.04 C ATOM 2165 O GLN A 137 -6.151 7.973 11.098 1.00 12.35 O ATOM 2166 CB GLN A 137 -7.506 8.558 8.508 1.00 74.14 C ATOM 2167 CG GLN A 137 -7.640 8.716 6.983 1.00 31.33 C ATOM 2168 CD GLN A 137 -6.375 9.117 6.240 1.00 22.15 C ATOM 2169 OE1 GLN A 137 -5.254 9.020 6.738 1.00 60.14 O ATOM 2170 NE2 GLN A 137 -6.528 9.583 5.011 1.00 35.02 N ATOM 0 H GLN A 137 -8.621 6.339 8.175 1.00 44.23 H new ATOM 0 HA GLN A 137 -5.892 7.125 8.630 1.00 60.10 H new ATOM 0 HB2 GLN A 137 -8.491 8.683 8.957 1.00 74.14 H new ATOM 0 HB3 GLN A 137 -6.879 9.365 8.886 1.00 74.14 H new ATOM 0 HG2 GLN A 137 -7.996 7.772 6.570 1.00 31.33 H new ATOM 0 HG3 GLN A 137 -8.408 9.463 6.781 1.00 31.33 H new ATOM 0 HE21 GLN A 137 -7.462 9.660 4.607 1.00 35.02 H new ATOM 0 HE22 GLN A 137 -5.712 9.866 4.468 1.00 35.02 H new ATOM 2179 N GLU A 138 -7.683 6.328 11.187 1.00 33.30 N ATOM 2180 CA GLU A 138 -7.630 6.085 12.629 1.00 21.43 C ATOM 2181 C GLU A 138 -6.372 5.308 12.978 1.00 63.21 C ATOM 2182 O GLU A 138 -5.654 5.644 13.915 1.00 1.42 O ATOM 2183 CB GLU A 138 -8.836 5.270 13.110 1.00 44.23 C ATOM 2184 CG GLU A 138 -10.019 6.135 13.538 1.00 3.34 C ATOM 2185 CD GLU A 138 -11.131 5.243 14.089 1.00 42.02 C ATOM 2186 OE1 GLU A 138 -11.874 4.633 13.294 1.00 23.43 O ATOM 2187 OE2 GLU A 138 -11.270 5.161 15.336 1.00 75.24 O ATOM 0 H GLU A 138 -8.399 5.772 10.719 1.00 33.30 H new ATOM 0 HA GLU A 138 -7.636 7.058 13.120 1.00 21.43 H new ATOM 0 HB2 GLU A 138 -9.155 4.600 12.311 1.00 44.23 H new ATOM 0 HB3 GLU A 138 -8.531 4.644 13.948 1.00 44.23 H new ATOM 0 HG2 GLU A 138 -9.704 6.851 14.297 1.00 3.34 H new ATOM 0 HG3 GLU A 138 -10.388 6.711 12.689 1.00 3.34 H new ATOM 2194 N GLU A 139 -6.107 4.245 12.232 1.00 4.40 N ATOM 2195 CA GLU A 139 -4.909 3.448 12.481 1.00 11.23 C ATOM 2196 C GLU A 139 -3.674 4.316 12.175 1.00 31.30 C ATOM 2197 O GLU A 139 -2.720 4.351 12.955 1.00 64.24 O ATOM 2198 CB GLU A 139 -4.954 2.090 11.756 1.00 53.15 C ATOM 2199 CG GLU A 139 -6.385 1.504 11.780 1.00 31.21 C ATOM 2200 CD GLU A 139 -6.525 -0.018 11.741 1.00 20.30 C ATOM 2201 OE1 GLU A 139 -5.634 -0.730 11.216 1.00 72.44 O ATOM 2202 OE2 GLU A 139 -7.542 -0.516 12.273 1.00 31.24 O ATOM 0 H GLU A 139 -6.691 3.917 11.463 1.00 4.40 H new ATOM 0 HA GLU A 139 -4.849 3.163 13.531 1.00 11.23 H new ATOM 0 HB2 GLU A 139 -4.623 2.212 10.725 1.00 53.15 H new ATOM 0 HB3 GLU A 139 -4.263 1.395 12.233 1.00 53.15 H new ATOM 0 HG2 GLU A 139 -6.881 1.864 12.681 1.00 31.21 H new ATOM 0 HG3 GLU A 139 -6.931 1.914 10.930 1.00 31.21 H new ATOM 2209 N ASN A 140 -3.765 5.136 11.115 1.00 60.31 N ATOM 2210 CA ASN A 140 -2.698 6.036 10.688 1.00 64.22 C ATOM 2211 C ASN A 140 -2.304 7.025 11.781 1.00 43.32 C ATOM 2212 O ASN A 140 -1.115 7.220 12.011 1.00 60.14 O ATOM 2213 CB ASN A 140 -3.078 6.869 9.452 1.00 33.24 C ATOM 2214 CG ASN A 140 -3.135 6.116 8.133 1.00 34.01 C ATOM 2215 OD1 ASN A 140 -2.752 4.966 8.029 1.00 3.14 O ATOM 2216 ND2 ASN A 140 -3.570 6.765 7.068 1.00 41.53 N ATOM 0 H ASN A 140 -4.597 5.188 10.527 1.00 60.31 H new ATOM 0 HA ASN A 140 -1.866 5.373 10.451 1.00 64.22 H new ATOM 0 HB2 ASN A 140 -4.052 7.324 9.630 1.00 33.24 H new ATOM 0 HB3 ASN A 140 -2.360 7.683 9.352 1.00 33.24 H new ATOM 0 HD21 ASN A 140 -3.585 6.302 6.159 1.00 41.53 H new ATOM 0 HD22 ASN A 140 -3.891 7.729 7.154 1.00 41.53 H new ATOM 2223 N LYS A 141 -3.264 7.725 12.402 1.00 4.03 N ATOM 2224 CA LYS A 141 -2.958 8.739 13.423 1.00 44.22 C ATOM 2225 C LYS A 141 -2.205 8.103 14.591 1.00 13.23 C ATOM 2226 O LYS A 141 -1.178 8.629 15.018 1.00 31.55 O ATOM 2227 CB LYS A 141 -4.213 9.510 13.878 1.00 75.44 C ATOM 2228 CG LYS A 141 -5.362 8.584 14.284 1.00 1.02 C ATOM 2229 CD LYS A 141 -6.660 9.240 14.741 1.00 23.54 C ATOM 2230 CE LYS A 141 -7.500 9.715 13.550 1.00 14.43 C ATOM 2231 NZ LYS A 141 -8.954 9.716 13.834 1.00 33.52 N ATOM 0 H LYS A 141 -4.260 7.608 12.215 1.00 4.03 H new ATOM 0 HA LYS A 141 -2.305 9.486 12.972 1.00 44.22 H new ATOM 0 HB2 LYS A 141 -3.954 10.152 14.720 1.00 75.44 H new ATOM 0 HB3 LYS A 141 -4.546 10.162 13.071 1.00 75.44 H new ATOM 0 HG2 LYS A 141 -5.591 7.938 13.436 1.00 1.02 H new ATOM 0 HG3 LYS A 141 -5.008 7.940 15.089 1.00 1.02 H new ATOM 0 HD2 LYS A 141 -7.237 8.531 15.335 1.00 23.54 H new ATOM 0 HD3 LYS A 141 -6.432 10.087 15.388 1.00 23.54 H new ATOM 0 HE2 LYS A 141 -7.189 10.722 13.271 1.00 14.43 H new ATOM 0 HE3 LYS A 141 -7.303 9.071 12.693 1.00 14.43 H new ATOM 0 HZ1 LYS A 141 -9.444 9.121 13.136 1.00 33.52 H new ATOM 0 HZ2 LYS A 141 -9.122 9.339 14.789 1.00 33.52 H new ATOM 0 HZ3 LYS A 141 -9.318 10.688 13.777 1.00 33.52 H new ATOM 2245 N ALA A 142 -2.651 6.929 15.040 1.00 61.41 N ATOM 2246 CA ALA A 142 -2.008 6.217 16.131 1.00 14.23 C ATOM 2247 C ALA A 142 -0.592 5.767 15.754 1.00 0.11 C ATOM 2248 O ALA A 142 0.227 5.533 16.644 1.00 75.51 O ATOM 2249 CB ALA A 142 -2.867 5.016 16.539 1.00 74.14 C ATOM 0 H ALA A 142 -3.466 6.451 14.655 1.00 61.41 H new ATOM 0 HA ALA A 142 -1.916 6.898 16.977 1.00 14.23 H new ATOM 0 HB1 ALA A 142 -2.383 4.484 17.357 1.00 74.14 H new ATOM 0 HB2 ALA A 142 -3.848 5.364 16.863 1.00 74.14 H new ATOM 0 HB3 ALA A 142 -2.982 4.345 15.688 1.00 74.14 H new ATOM 2255 N PHE A 143 -0.295 5.591 14.465 1.00 75.51 N ATOM 2256 CA PHE A 143 1.028 5.257 13.953 1.00 11.11 C ATOM 2257 C PHE A 143 1.912 6.508 13.904 1.00 54.24 C ATOM 2258 O PHE A 143 3.000 6.513 14.477 1.00 53.04 O ATOM 2259 CB PHE A 143 0.856 4.589 12.580 1.00 12.11 C ATOM 2260 CG PHE A 143 2.130 4.222 11.850 1.00 31.21 C ATOM 2261 CD1 PHE A 143 2.881 5.209 11.186 1.00 44.25 C ATOM 2262 CD2 PHE A 143 2.534 2.879 11.783 1.00 3.41 C ATOM 2263 CE1 PHE A 143 4.042 4.861 10.473 1.00 51.44 C ATOM 2264 CE2 PHE A 143 3.692 2.531 11.074 1.00 55.14 C ATOM 2265 CZ PHE A 143 4.447 3.516 10.416 1.00 72.13 C ATOM 0 H PHE A 143 -0.994 5.681 13.728 1.00 75.51 H new ATOM 0 HA PHE A 143 1.537 4.555 14.613 1.00 11.11 H new ATOM 0 HB2 PHE A 143 0.264 3.683 12.712 1.00 12.11 H new ATOM 0 HB3 PHE A 143 0.277 5.259 11.944 1.00 12.11 H new ATOM 0 HD1 PHE A 143 2.564 6.241 11.224 1.00 44.25 H new ATOM 0 HD2 PHE A 143 1.953 2.115 12.277 1.00 3.41 H new ATOM 0 HE1 PHE A 143 4.620 5.623 9.972 1.00 51.44 H new ATOM 0 HE2 PHE A 143 4.006 1.498 11.033 1.00 55.14 H new ATOM 0 HZ PHE A 143 5.336 3.241 9.868 1.00 72.13 H new ATOM 2275 N GLU A 144 1.481 7.574 13.218 1.00 62.15 N ATOM 2276 CA GLU A 144 2.337 8.735 12.948 1.00 62.42 C ATOM 2277 C GLU A 144 2.727 9.502 14.214 1.00 3.42 C ATOM 2278 O GLU A 144 3.740 10.202 14.208 1.00 12.24 O ATOM 2279 CB GLU A 144 1.718 9.685 11.912 1.00 40.12 C ATOM 2280 CG GLU A 144 0.318 10.164 12.282 1.00 12.12 C ATOM 2281 CD GLU A 144 0.040 11.614 11.894 1.00 11.45 C ATOM 2282 OE1 GLU A 144 -0.187 11.899 10.690 1.00 4.14 O ATOM 2283 OE2 GLU A 144 -0.038 12.482 12.788 1.00 64.11 O ATOM 0 H GLU A 144 0.538 7.656 12.838 1.00 62.15 H new ATOM 0 HA GLU A 144 3.254 8.323 12.526 1.00 62.42 H new ATOM 0 HB2 GLU A 144 2.369 10.551 11.791 1.00 40.12 H new ATOM 0 HB3 GLU A 144 1.677 9.180 10.947 1.00 40.12 H new ATOM 0 HG2 GLU A 144 -0.416 9.521 11.797 1.00 12.12 H new ATOM 0 HG3 GLU A 144 0.178 10.052 13.357 1.00 12.12 H new ATOM 2290 N GLU A 145 1.965 9.346 15.295 1.00 24.53 N ATOM 2291 CA GLU A 145 2.274 9.870 16.619 1.00 41.34 C ATOM 2292 C GLU A 145 3.625 9.312 17.107 1.00 24.44 C ATOM 2293 O GLU A 145 4.411 10.034 17.727 1.00 55.14 O ATOM 2294 CB GLU A 145 1.099 9.495 17.538 1.00 14.14 C ATOM 2295 CG GLU A 145 1.237 9.958 18.998 1.00 4.41 C ATOM 2296 CD GLU A 145 0.226 9.285 19.940 1.00 72.42 C ATOM 2297 OE1 GLU A 145 -0.940 9.012 19.550 1.00 52.11 O ATOM 2298 OE2 GLU A 145 0.587 8.995 21.097 1.00 21.22 O ATOM 0 H GLU A 145 1.084 8.832 15.269 1.00 24.53 H new ATOM 0 HA GLU A 145 2.386 10.954 16.613 1.00 41.34 H new ATOM 0 HB2 GLU A 145 0.185 9.920 17.124 1.00 14.14 H new ATOM 0 HB3 GLU A 145 0.981 8.411 17.527 1.00 14.14 H new ATOM 0 HG2 GLU A 145 2.248 9.745 19.347 1.00 4.41 H new ATOM 0 HG3 GLU A 145 1.105 11.039 19.045 1.00 4.41 H new ATOM 2305 N LEU A 146 3.925 8.042 16.798 1.00 63.32 N ATOM 2306 CA LEU A 146 5.080 7.313 17.337 1.00 4.41 C ATOM 2307 C LEU A 146 6.172 7.046 16.299 1.00 2.12 C ATOM 2308 O LEU A 146 7.248 6.579 16.682 1.00 35.30 O ATOM 2309 CB LEU A 146 4.647 5.980 17.995 1.00 64.25 C ATOM 2310 CG LEU A 146 3.958 6.034 19.375 1.00 40.05 C ATOM 2311 CD1 LEU A 146 4.552 7.105 20.295 1.00 24.42 C ATOM 2312 CD2 LEU A 146 2.448 6.229 19.267 1.00 54.34 C ATOM 0 H LEU A 146 3.362 7.484 16.156 1.00 63.32 H new ATOM 0 HA LEU A 146 5.510 7.970 18.093 1.00 4.41 H new ATOM 0 HB2 LEU A 146 3.971 5.473 17.306 1.00 64.25 H new ATOM 0 HB3 LEU A 146 5.534 5.353 18.091 1.00 64.25 H new ATOM 0 HG LEU A 146 4.149 5.059 19.823 1.00 40.05 H new ATOM 0 HD11 LEU A 146 4.027 7.096 21.250 1.00 24.42 H new ATOM 0 HD12 LEU A 146 5.609 6.898 20.460 1.00 24.42 H new ATOM 0 HD13 LEU A 146 4.443 8.085 19.831 1.00 24.42 H new ATOM 0 HD21 LEU A 146 2.013 6.260 20.266 1.00 54.34 H new ATOM 0 HD22 LEU A 146 2.238 7.166 18.751 1.00 54.34 H new ATOM 0 HD23 LEU A 146 2.013 5.401 18.707 1.00 54.34 H new ATOM 2324 N HIS A 147 5.950 7.355 15.021 1.00 2.10 N ATOM 2325 CA HIS A 147 6.859 7.031 13.914 1.00 3.32 C ATOM 2326 C HIS A 147 7.355 8.335 13.254 1.00 14.00 C ATOM 2327 O HIS A 147 6.798 8.757 12.238 1.00 54.25 O ATOM 2328 CB HIS A 147 6.197 6.053 12.919 1.00 31.32 C ATOM 2329 CG HIS A 147 6.072 4.624 13.415 1.00 31.10 C ATOM 2330 ND1 HIS A 147 6.598 3.490 12.821 1.00 64.23 N ATOM 2331 CD2 HIS A 147 5.377 4.209 14.520 1.00 55.05 C ATOM 2332 CE1 HIS A 147 6.235 2.428 13.555 1.00 20.21 C ATOM 2333 NE2 HIS A 147 5.508 2.820 14.613 1.00 31.33 N ATOM 0 H HIS A 147 5.112 7.850 14.716 1.00 2.10 H new ATOM 0 HA HIS A 147 7.736 6.509 14.298 1.00 3.32 H new ATOM 0 HB2 HIS A 147 5.202 6.425 12.673 1.00 31.32 H new ATOM 0 HB3 HIS A 147 6.774 6.052 11.994 1.00 31.32 H new ATOM 0 HD2 HIS A 147 4.826 4.842 15.199 1.00 55.05 H new ATOM 0 HE1 HIS A 147 6.491 1.404 13.327 1.00 20.21 H new ATOM 0 HE2 HIS A 147 5.125 2.220 15.344 1.00 31.33 H new ATOM 2341 N PRO A 148 8.367 9.011 13.830 1.00 23.50 N ATOM 2342 CA PRO A 148 8.914 10.275 13.339 1.00 13.03 C ATOM 2343 C PRO A 148 9.822 10.146 12.109 1.00 31.42 C ATOM 2344 O PRO A 148 10.857 9.446 12.137 1.00 35.41 O ATOM 2345 CB PRO A 148 9.684 10.880 14.516 1.00 11.14 C ATOM 2346 CG PRO A 148 10.028 9.690 15.401 1.00 60.24 C ATOM 2347 CD PRO A 148 8.860 8.751 15.170 1.00 52.43 C ATOM 0 HA PRO A 148 8.094 10.905 12.994 1.00 13.03 H new ATOM 0 HB2 PRO A 148 10.583 11.396 14.179 1.00 11.14 H new ATOM 0 HB3 PRO A 148 9.079 11.611 15.052 1.00 11.14 H new ATOM 0 HG2 PRO A 148 10.976 9.234 15.115 1.00 60.24 H new ATOM 0 HG3 PRO A 148 10.115 9.977 16.449 1.00 60.24 H new ATOM 0 HD2 PRO A 148 9.174 7.712 15.271 1.00 52.43 H new ATOM 0 HD3 PRO A 148 8.077 8.920 15.909 1.00 52.43 H new