USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 957 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 124 MET CE :methyl -119:sc= -6.32! (180deg=-7.84!) USER MOD Set 1.2: A 148 LYS NZ :NH3+ 174:sc= 0.637 (180deg=0.34) USER MOD Set 2.1: A 94 LYS NZ :NH3+ -132:sc= 0.0148 (180deg=-0.0342) USER MOD Set 2.2: A 138 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 26 THR OG1 : rot -146:sc= 1.14 USER MOD Set 3.2: A 62 THR OG1 : rot 117:sc= 1.28 USER MOD Set 4.1: A 36 MET CE :methyl -116:sc= -0.543 (180deg=-3.73!) USER MOD Set 4.2: A 72 MET CE :methyl -107:sc= -2.38 (180deg=-5.39!) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 105:sc= 0.468 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0128 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0939 USER MOD Single : A 38 SER OG : rot -23:sc= 0.186 USER MOD Single : A 41 GLN : amide:sc= -0.0315 X(o=-0.032,f=0) USER MOD Single : A 42 ASN : amide:sc= -6.16! C(o=-6.2!,f=-7.1!) USER MOD Single : A 44 THR OG1 : rot 179:sc= 1.29 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl -120:sc= -1.68 (180deg=-4!) USER MOD Single : A 53 ASN : amide:sc=-0.00359 X(o=-0.0036,f=-0.025) USER MOD Single : A 70 THR OG1 : rot -167:sc= -2.23! USER MOD Single : A 71 MET CE :methyl -156:sc= -2.88 (180deg=-3.76!) USER MOD Single : A 81 SER OG : rot 36:sc= 0.0571 USER MOD Single : A 97 ASN : amide:sc= -1.51! C(o=-1.5!,f=-2.7!) USER MOD Single : A 99 TYR OH : rot 18:sc= 0.122 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS :FLIP no HE2:sc= 0.229 F(o=-0.82,f=0.23) USER MOD Single : A 109 MET CE :methyl -109:sc= -2.88! (180deg=-6.48!) USER MOD Single : A 110 THR OG1 : rot 100:sc= 0.985 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc=4.46e-05 USER MOD Single : A 135 GLN : amide:sc= -0.537 X(o=-0.54,f=-0.66) USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl -177:sc= -0.215 (180deg=-0.266) USER MOD Single : A 145 MET CE :methyl -150:sc= -1.3 (180deg=-2.5!) USER MOD Single : A 146 THR OG1 : rot 66:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 90 N GLU A 7 -11.255 12.983 -11.631 1.00 3.51 N ATOM 91 CA GLU A 7 -12.060 13.990 -10.927 1.00 3.59 C ATOM 92 C GLU A 7 -11.936 13.894 -9.407 1.00 3.35 C ATOM 93 O GLU A 7 -12.276 14.850 -8.706 1.00 3.38 O ATOM 94 CB GLU A 7 -13.532 13.892 -11.341 1.00 3.93 C ATOM 95 CG GLU A 7 -13.813 14.409 -12.745 1.00 4.45 C ATOM 96 CD GLU A 7 -15.278 14.305 -13.122 1.00 5.14 C ATOM 97 OE1 GLU A 7 -16.028 15.269 -12.862 1.00 5.54 O ATOM 98 OE2 GLU A 7 -15.675 13.259 -13.677 1.00 5.58 O ATOM 0 HA GLU A 7 -11.663 14.962 -11.220 1.00 3.59 H new ATOM 0 HB2 GLU A 7 -13.849 12.851 -11.277 1.00 3.93 H new ATOM 0 HB3 GLU A 7 -14.138 14.453 -10.630 1.00 3.93 H new ATOM 0 HG2 GLU A 7 -13.497 15.450 -12.815 1.00 4.45 H new ATOM 0 HG3 GLU A 7 -13.216 13.845 -13.462 1.00 4.45 H new ATOM 105 N GLN A 8 -11.473 12.740 -8.892 1.00 3.16 N ATOM 106 CA GLN A 8 -11.278 12.570 -7.447 1.00 2.96 C ATOM 107 C GLN A 8 -10.285 13.592 -6.941 1.00 2.69 C ATOM 108 O GLN A 8 -10.401 14.080 -5.820 1.00 2.63 O ATOM 109 CB GLN A 8 -10.832 11.146 -7.096 1.00 2.87 C ATOM 110 CG GLN A 8 -11.927 10.102 -7.253 1.00 3.23 C ATOM 111 CD GLN A 8 -11.456 8.706 -6.896 1.00 3.13 C ATOM 112 OE1 GLN A 8 -10.962 7.967 -7.748 1.00 3.27 O ATOM 113 NE2 GLN A 8 -11.608 8.336 -5.629 1.00 3.29 N ATOM 0 H GLN A 8 -11.230 11.922 -9.451 1.00 3.16 H new ATOM 0 HA GLN A 8 -12.236 12.731 -6.952 1.00 2.96 H new ATOM 0 HB2 GLN A 8 -9.989 10.873 -7.731 1.00 2.87 H new ATOM 0 HB3 GLN A 8 -10.474 11.131 -6.067 1.00 2.87 H new ATOM 0 HG2 GLN A 8 -12.773 10.369 -6.619 1.00 3.23 H new ATOM 0 HG3 GLN A 8 -12.285 10.109 -8.282 1.00 3.23 H new ATOM 0 HE21 GLN A 8 -12.022 8.980 -4.956 1.00 3.29 H new ATOM 0 HE22 GLN A 8 -11.310 7.407 -5.330 1.00 3.29 H new ATOM 122 N ILE A 9 -9.309 13.897 -7.792 1.00 2.59 N ATOM 123 CA ILE A 9 -8.332 14.937 -7.540 1.00 2.41 C ATOM 124 C ILE A 9 -9.074 16.254 -7.321 1.00 2.64 C ATOM 125 O ILE A 9 -8.768 16.992 -6.385 1.00 2.55 O ATOM 126 CB ILE A 9 -7.349 15.017 -8.729 1.00 2.42 C ATOM 127 CG1 ILE A 9 -6.379 13.840 -8.640 1.00 2.20 C ATOM 128 CG2 ILE A 9 -6.627 16.357 -8.796 1.00 2.45 C ATOM 129 CD1 ILE A 9 -6.858 12.626 -9.400 1.00 2.35 C ATOM 0 H ILE A 9 -9.178 13.420 -8.684 1.00 2.59 H new ATOM 0 HA ILE A 9 -7.747 14.718 -6.647 1.00 2.41 H new ATOM 0 HB ILE A 9 -7.911 14.949 -9.661 1.00 2.42 H new ATOM 0 HG12 ILE A 9 -5.408 14.146 -9.029 1.00 2.20 H new ATOM 0 HG13 ILE A 9 -6.234 13.573 -7.593 1.00 2.20 H new ATOM 0 HG21 ILE A 9 -5.948 16.362 -9.649 1.00 2.45 H new ATOM 0 HG22 ILE A 9 -7.357 17.158 -8.909 1.00 2.45 H new ATOM 0 HG23 ILE A 9 -6.059 16.510 -7.879 1.00 2.45 H new ATOM 0 HD11 ILE A 9 -6.128 11.823 -9.300 1.00 2.35 H new ATOM 0 HD12 ILE A 9 -7.816 12.298 -8.996 1.00 2.35 H new ATOM 0 HD13 ILE A 9 -6.976 12.880 -10.453 1.00 2.35 H new ATOM 141 N ALA A 10 -10.056 16.528 -8.208 1.00 2.97 N ATOM 142 CA ALA A 10 -10.923 17.708 -8.075 1.00 3.26 C ATOM 143 C ALA A 10 -11.618 17.713 -6.716 1.00 3.27 C ATOM 144 O ALA A 10 -11.949 18.775 -6.182 1.00 3.43 O ATOM 145 CB ALA A 10 -11.936 17.778 -9.208 1.00 3.61 C ATOM 0 H ALA A 10 -10.264 15.947 -9.020 1.00 2.97 H new ATOM 0 HA ALA A 10 -10.296 18.597 -8.140 1.00 3.26 H new ATOM 0 HB1 ALA A 10 -12.562 18.661 -9.082 1.00 3.61 H new ATOM 0 HB2 ALA A 10 -11.412 17.838 -10.162 1.00 3.61 H new ATOM 0 HB3 ALA A 10 -12.561 16.885 -9.193 1.00 3.61 H new ATOM 151 N GLU A 11 -11.832 16.506 -6.168 1.00 3.14 N ATOM 152 CA GLU A 11 -12.409 16.351 -4.835 1.00 3.18 C ATOM 153 C GLU A 11 -11.325 16.475 -3.784 1.00 2.87 C ATOM 154 O GLU A 11 -11.579 16.876 -2.646 1.00 2.94 O ATOM 155 CB GLU A 11 -13.070 14.995 -4.687 1.00 3.24 C ATOM 156 CG GLU A 11 -14.587 15.039 -4.731 1.00 3.63 C ATOM 157 CD GLU A 11 -15.217 13.669 -4.578 1.00 3.78 C ATOM 158 OE1 GLU A 11 -15.428 12.994 -5.608 1.00 4.13 O ATOM 159 OE2 GLU A 11 -15.498 13.269 -3.428 1.00 3.90 O ATOM 0 H GLU A 11 -11.612 15.626 -6.633 1.00 3.14 H new ATOM 0 HA GLU A 11 -13.156 17.133 -4.701 1.00 3.18 H new ATOM 0 HB2 GLU A 11 -12.713 14.340 -5.481 1.00 3.24 H new ATOM 0 HB3 GLU A 11 -12.757 14.551 -3.742 1.00 3.24 H new ATOM 0 HG2 GLU A 11 -14.951 15.692 -3.938 1.00 3.63 H new ATOM 0 HG3 GLU A 11 -14.906 15.478 -5.676 1.00 3.63 H new ATOM 166 N PHE A 12 -10.117 16.097 -4.187 1.00 2.56 N ATOM 167 CA PHE A 12 -8.950 16.168 -3.320 1.00 2.24 C ATOM 168 C PHE A 12 -8.504 17.621 -3.098 1.00 2.30 C ATOM 169 O PHE A 12 -8.079 17.969 -1.992 1.00 2.22 O ATOM 170 CB PHE A 12 -7.788 15.359 -3.910 1.00 1.94 C ATOM 171 CG PHE A 12 -7.950 13.847 -3.884 1.00 1.85 C ATOM 172 CD1 PHE A 12 -9.091 13.224 -3.375 1.00 2.28 C ATOM 173 CD2 PHE A 12 -6.924 13.039 -4.359 1.00 2.07 C ATOM 174 CE1 PHE A 12 -9.185 11.854 -3.343 1.00 2.34 C ATOM 175 CE2 PHE A 12 -7.029 11.664 -4.329 1.00 2.03 C ATOM 176 CZ PHE A 12 -8.168 11.074 -3.812 1.00 1.90 C ATOM 0 H PHE A 12 -9.921 15.734 -5.120 1.00 2.56 H new ATOM 0 HA PHE A 12 -9.233 15.742 -2.357 1.00 2.24 H new ATOM 0 HB2 PHE A 12 -7.641 15.671 -4.944 1.00 1.94 H new ATOM 0 HB3 PHE A 12 -6.879 15.617 -3.367 1.00 1.94 H new ATOM 0 HD1 PHE A 12 -9.908 13.825 -3.003 1.00 2.28 H new ATOM 0 HD2 PHE A 12 -6.030 13.495 -4.758 1.00 2.07 H new ATOM 0 HE1 PHE A 12 -10.074 11.389 -2.942 1.00 2.34 H new ATOM 0 HE2 PHE A 12 -6.225 11.051 -4.708 1.00 2.03 H new ATOM 0 HZ PHE A 12 -8.253 9.998 -3.779 1.00 1.90 H new ATOM 186 N LYS A 13 -8.601 18.472 -4.151 1.00 2.51 N ATOM 187 CA LYS A 13 -8.196 19.886 -4.033 1.00 2.67 C ATOM 188 C LYS A 13 -9.232 20.735 -3.305 1.00 2.96 C ATOM 189 O LYS A 13 -8.881 21.787 -2.774 1.00 3.07 O ATOM 190 CB LYS A 13 -7.835 20.530 -5.386 1.00 2.86 C ATOM 191 CG LYS A 13 -8.705 20.113 -6.575 1.00 3.04 C ATOM 192 CD LYS A 13 -7.869 19.497 -7.699 1.00 2.93 C ATOM 193 CE LYS A 13 -7.138 20.550 -8.532 1.00 3.15 C ATOM 194 NZ LYS A 13 -6.328 19.934 -9.619 1.00 3.58 N ATOM 0 H LYS A 13 -8.950 18.206 -5.072 1.00 2.51 H new ATOM 0 HA LYS A 13 -7.289 19.865 -3.428 1.00 2.67 H new ATOM 0 HB2 LYS A 13 -7.894 21.613 -5.279 1.00 2.86 H new ATOM 0 HB3 LYS A 13 -6.797 20.289 -5.617 1.00 2.86 H new ATOM 0 HG2 LYS A 13 -9.455 19.395 -6.243 1.00 3.04 H new ATOM 0 HG3 LYS A 13 -9.242 20.982 -6.955 1.00 3.04 H new ATOM 0 HD2 LYS A 13 -7.141 18.809 -7.270 1.00 2.93 H new ATOM 0 HD3 LYS A 13 -8.518 18.910 -8.350 1.00 2.93 H new ATOM 0 HE2 LYS A 13 -7.864 21.238 -8.966 1.00 3.15 H new ATOM 0 HE3 LYS A 13 -6.488 21.139 -7.884 1.00 3.15 H new ATOM 0 HZ1 LYS A 13 -5.848 20.681 -10.160 1.00 3.58 H new ATOM 0 HZ2 LYS A 13 -5.618 19.297 -9.205 1.00 3.58 H new ATOM 0 HZ3 LYS A 13 -6.951 19.393 -10.252 1.00 3.58 H new ATOM 208 N GLU A 14 -10.504 20.302 -3.280 1.00 3.12 N ATOM 209 CA GLU A 14 -11.531 21.056 -2.548 1.00 3.43 C ATOM 210 C GLU A 14 -11.365 20.831 -1.033 1.00 3.34 C ATOM 211 O GLU A 14 -11.777 21.664 -0.220 1.00 3.56 O ATOM 212 CB GLU A 14 -12.956 20.693 -3.025 1.00 3.67 C ATOM 213 CG GLU A 14 -13.368 19.239 -2.813 1.00 4.07 C ATOM 214 CD GLU A 14 -14.631 18.874 -3.568 1.00 4.36 C ATOM 215 OE1 GLU A 14 -14.528 18.516 -4.760 1.00 4.71 O ATOM 216 OE2 GLU A 14 -15.724 18.945 -2.967 1.00 4.52 O ATOM 0 H GLU A 14 -10.838 19.458 -3.745 1.00 3.12 H new ATOM 0 HA GLU A 14 -11.394 22.117 -2.758 1.00 3.43 H new ATOM 0 HB2 GLU A 14 -13.669 21.334 -2.506 1.00 3.67 H new ATOM 0 HB3 GLU A 14 -13.035 20.924 -4.087 1.00 3.67 H new ATOM 0 HG2 GLU A 14 -12.557 18.585 -3.133 1.00 4.07 H new ATOM 0 HG3 GLU A 14 -13.521 19.060 -1.749 1.00 4.07 H new ATOM 223 N ALA A 15 -10.752 19.685 -0.686 1.00 3.04 N ATOM 224 CA ALA A 15 -10.497 19.306 0.704 1.00 2.97 C ATOM 225 C ALA A 15 -9.162 19.838 1.215 1.00 2.76 C ATOM 226 O ALA A 15 -9.127 20.587 2.190 1.00 2.91 O ATOM 227 CB ALA A 15 -10.558 17.781 0.860 1.00 2.84 C ATOM 0 H ALA A 15 -10.422 19.000 -1.366 1.00 3.04 H new ATOM 0 HA ALA A 15 -11.279 19.763 1.311 1.00 2.97 H new ATOM 0 HB1 ALA A 15 -10.366 17.514 1.899 1.00 2.84 H new ATOM 0 HB2 ALA A 15 -11.547 17.425 0.570 1.00 2.84 H new ATOM 0 HB3 ALA A 15 -9.804 17.320 0.222 1.00 2.84 H new ATOM 233 N PHE A 16 -8.063 19.433 0.561 1.00 2.45 N ATOM 234 CA PHE A 16 -6.709 19.867 0.937 1.00 2.28 C ATOM 235 C PHE A 16 -6.644 21.384 1.075 1.00 2.56 C ATOM 236 O PHE A 16 -6.039 21.911 2.009 1.00 2.60 O ATOM 237 CB PHE A 16 -5.716 19.410 -0.136 1.00 2.02 C ATOM 238 CG PHE A 16 -4.247 19.565 0.203 1.00 1.86 C ATOM 239 CD1 PHE A 16 -3.453 18.439 0.362 1.00 2.18 C ATOM 240 CD2 PHE A 16 -3.655 20.823 0.326 1.00 2.17 C ATOM 241 CE1 PHE A 16 -2.114 18.547 0.635 1.00 2.21 C ATOM 242 CE2 PHE A 16 -2.304 20.931 0.610 1.00 2.07 C ATOM 243 CZ PHE A 16 -1.538 19.785 0.763 1.00 1.79 C ATOM 0 H PHE A 16 -8.087 18.800 -0.238 1.00 2.45 H new ATOM 0 HA PHE A 16 -6.454 19.421 1.898 1.00 2.28 H new ATOM 0 HB2 PHE A 16 -5.908 18.360 -0.356 1.00 2.02 H new ATOM 0 HB3 PHE A 16 -5.918 19.969 -1.050 1.00 2.02 H new ATOM 0 HD1 PHE A 16 -3.898 17.459 0.269 1.00 2.18 H new ATOM 0 HD2 PHE A 16 -4.252 21.714 0.199 1.00 2.17 H new ATOM 0 HE1 PHE A 16 -1.513 17.657 0.749 1.00 2.21 H new ATOM 0 HE2 PHE A 16 -1.848 21.905 0.712 1.00 2.07 H new ATOM 0 HZ PHE A 16 -0.484 19.868 0.984 1.00 1.79 H new ATOM 253 N SER A 17 -7.295 22.065 0.139 1.00 2.80 N ATOM 254 CA SER A 17 -7.317 23.506 0.108 1.00 3.11 C ATOM 255 C SER A 17 -8.143 24.113 1.231 1.00 3.36 C ATOM 256 O SER A 17 -7.980 25.297 1.543 1.00 3.59 O ATOM 257 CB SER A 17 -7.823 24.008 -1.238 1.00 3.33 C ATOM 258 OG SER A 17 -6.900 23.716 -2.274 1.00 3.30 O ATOM 0 H SER A 17 -7.820 21.625 -0.616 1.00 2.80 H new ATOM 0 HA SER A 17 -6.287 23.830 0.256 1.00 3.11 H new ATOM 0 HB2 SER A 17 -8.784 23.546 -1.463 1.00 3.33 H new ATOM 0 HB3 SER A 17 -7.990 25.084 -1.189 1.00 3.33 H new ATOM 0 HG SER A 17 -7.234 22.966 -2.808 1.00 3.30 H new ATOM 264 N LEU A 18 -9.041 23.319 1.837 1.00 3.35 N ATOM 265 CA LEU A 18 -9.861 23.824 2.924 1.00 3.63 C ATOM 266 C LEU A 18 -9.002 24.039 4.166 1.00 3.56 C ATOM 267 O LEU A 18 -9.371 24.751 5.104 1.00 3.81 O ATOM 268 CB LEU A 18 -11.059 22.898 3.172 1.00 3.72 C ATOM 269 CG LEU A 18 -10.848 21.814 4.218 1.00 3.54 C ATOM 270 CD1 LEU A 18 -11.268 22.296 5.602 1.00 3.79 C ATOM 271 CD2 LEU A 18 -11.583 20.531 3.857 1.00 3.53 C ATOM 0 H LEU A 18 -9.208 22.343 1.591 1.00 3.35 H new ATOM 0 HA LEU A 18 -10.276 24.794 2.652 1.00 3.63 H new ATOM 0 HB2 LEU A 18 -11.910 23.508 3.474 1.00 3.72 H new ATOM 0 HB3 LEU A 18 -11.327 22.421 2.230 1.00 3.72 H new ATOM 0 HG LEU A 18 -9.781 21.593 4.238 1.00 3.54 H new ATOM 0 HD11 LEU A 18 -11.106 21.500 6.329 1.00 3.79 H new ATOM 0 HD12 LEU A 18 -10.675 23.167 5.879 1.00 3.79 H new ATOM 0 HD13 LEU A 18 -12.324 22.566 5.588 1.00 3.79 H new ATOM 0 HD21 LEU A 18 -11.407 19.782 4.629 1.00 3.53 H new ATOM 0 HD22 LEU A 18 -12.652 20.732 3.783 1.00 3.53 H new ATOM 0 HD23 LEU A 18 -11.217 20.159 2.900 1.00 3.53 H new ATOM 283 N PHE A 19 -7.858 23.391 4.113 1.00 3.24 N ATOM 284 CA PHE A 19 -6.843 23.455 5.156 1.00 3.16 C ATOM 285 C PHE A 19 -5.580 24.102 4.587 1.00 3.11 C ATOM 286 O PHE A 19 -4.543 24.167 5.255 1.00 3.07 O ATOM 287 CB PHE A 19 -6.500 22.047 5.653 1.00 2.89 C ATOM 288 CG PHE A 19 -7.656 21.267 6.234 1.00 3.01 C ATOM 289 CD1 PHE A 19 -8.194 20.193 5.542 1.00 3.31 C ATOM 290 CD2 PHE A 19 -8.192 21.596 7.472 1.00 3.27 C ATOM 291 CE1 PHE A 19 -9.241 19.463 6.070 1.00 3.50 C ATOM 292 CE2 PHE A 19 -9.243 20.870 8.002 1.00 3.41 C ATOM 293 CZ PHE A 19 -9.767 19.802 7.300 1.00 3.37 C ATOM 0 H PHE A 19 -7.597 22.791 3.330 1.00 3.24 H new ATOM 0 HA PHE A 19 -7.228 24.044 5.989 1.00 3.16 H new ATOM 0 HB2 PHE A 19 -6.081 21.479 4.823 1.00 2.89 H new ATOM 0 HB3 PHE A 19 -5.720 22.127 6.410 1.00 2.89 H new ATOM 0 HD1 PHE A 19 -7.789 19.924 4.578 1.00 3.31 H new ATOM 0 HD2 PHE A 19 -7.784 22.428 8.027 1.00 3.27 H new ATOM 0 HE1 PHE A 19 -9.648 18.627 5.520 1.00 3.50 H new ATOM 0 HE2 PHE A 19 -9.654 21.138 8.964 1.00 3.41 H new ATOM 0 HZ PHE A 19 -10.587 19.233 7.713 1.00 3.37 H new ATOM 303 N ALA A 20 -5.693 24.588 3.337 1.00 3.18 N ATOM 304 CA ALA A 20 -4.558 25.210 2.605 1.00 3.22 C ATOM 305 C ALA A 20 -3.805 26.287 3.401 1.00 3.51 C ATOM 306 O ALA A 20 -4.415 27.173 4.007 1.00 3.80 O ATOM 307 CB ALA A 20 -5.032 25.798 1.284 1.00 3.38 C ATOM 0 H ALA A 20 -6.562 24.564 2.804 1.00 3.18 H new ATOM 0 HA ALA A 20 -3.850 24.400 2.433 1.00 3.22 H new ATOM 0 HB1 ALA A 20 -4.188 26.249 0.763 1.00 3.38 H new ATOM 0 HB2 ALA A 20 -5.460 25.008 0.667 1.00 3.38 H new ATOM 0 HB3 ALA A 20 -5.789 26.559 1.475 1.00 3.38 H new ATOM 354 N ASP A 24 3.998 27.139 0.873 1.00 3.98 N ATOM 355 CA ASP A 24 4.067 26.380 -0.390 1.00 3.89 C ATOM 356 C ASP A 24 2.682 25.847 -0.797 1.00 3.62 C ATOM 357 O ASP A 24 2.495 25.360 -1.917 1.00 3.56 O ATOM 358 CB ASP A 24 5.061 25.219 -0.248 1.00 3.77 C ATOM 359 CG ASP A 24 5.662 24.793 -1.577 1.00 4.13 C ATOM 360 OD1 ASP A 24 6.717 25.344 -1.955 1.00 4.50 O ATOM 361 OD2 ASP A 24 5.078 23.908 -2.237 1.00 4.32 O ATOM 0 HA ASP A 24 4.410 27.054 -1.175 1.00 3.89 H new ATOM 0 HB2 ASP A 24 5.862 25.513 0.430 1.00 3.77 H new ATOM 0 HB3 ASP A 24 4.555 24.367 0.207 1.00 3.77 H new ATOM 366 N GLY A 25 1.729 25.956 0.137 1.00 3.50 N ATOM 367 CA GLY A 25 0.359 25.515 -0.088 1.00 3.30 C ATOM 368 C GLY A 25 0.204 24.093 0.358 1.00 2.90 C ATOM 369 O GLY A 25 -0.200 23.214 -0.409 1.00 2.69 O ATOM 0 H GLY A 25 1.891 26.351 1.063 1.00 3.50 H new ATOM 0 HA2 GLY A 25 -0.333 26.155 0.459 1.00 3.30 H new ATOM 0 HA3 GLY A 25 0.108 25.604 -1.145 1.00 3.30 H new ATOM 373 N THR A 26 0.539 23.897 1.630 1.00 2.85 N ATOM 374 CA THR A 26 0.524 22.591 2.249 1.00 2.53 C ATOM 375 C THR A 26 -0.544 22.460 3.336 1.00 2.45 C ATOM 376 O THR A 26 -1.278 23.413 3.616 1.00 2.66 O ATOM 377 CB THR A 26 1.893 22.278 2.867 1.00 2.59 C ATOM 378 OG1 THR A 26 2.216 23.204 3.912 1.00 2.84 O ATOM 379 CG2 THR A 26 2.951 22.308 1.808 1.00 2.74 C ATOM 0 H THR A 26 0.829 24.648 2.256 1.00 2.85 H new ATOM 0 HA THR A 26 0.288 21.881 1.457 1.00 2.53 H new ATOM 0 HB THR A 26 1.847 21.280 3.304 1.00 2.59 H new ATOM 0 HG1 THR A 26 3.183 23.364 3.920 1.00 2.84 H new ATOM 0 HG21 THR A 26 3.920 22.085 2.255 1.00 2.74 H new ATOM 0 HG22 THR A 26 2.723 21.564 1.045 1.00 2.74 H new ATOM 0 HG23 THR A 26 2.981 23.298 1.352 1.00 2.74 H new ATOM 387 N ILE A 27 -0.615 21.261 3.945 1.00 2.21 N ATOM 388 CA ILE A 27 -1.574 20.975 5.029 1.00 2.22 C ATOM 389 C ILE A 27 -0.949 19.983 6.009 1.00 2.15 C ATOM 390 O ILE A 27 0.222 19.649 5.882 1.00 2.13 O ATOM 391 CB ILE A 27 -2.963 20.446 4.533 1.00 2.13 C ATOM 392 CG1 ILE A 27 -2.821 19.082 3.838 1.00 1.82 C ATOM 393 CG2 ILE A 27 -3.646 21.480 3.641 1.00 2.31 C ATOM 394 CD1 ILE A 27 -4.140 18.368 3.616 1.00 1.79 C ATOM 0 H ILE A 27 -0.016 20.471 3.703 1.00 2.21 H new ATOM 0 HA ILE A 27 -1.781 21.926 5.521 1.00 2.22 H new ATOM 0 HB ILE A 27 -3.604 20.292 5.401 1.00 2.13 H new ATOM 0 HG12 ILE A 27 -2.329 19.224 2.876 1.00 1.82 H new ATOM 0 HG13 ILE A 27 -2.170 18.445 4.437 1.00 1.82 H new ATOM 0 HG21 ILE A 27 -4.609 21.093 3.307 1.00 2.31 H new ATOM 0 HG22 ILE A 27 -3.800 22.401 4.204 1.00 2.31 H new ATOM 0 HG23 ILE A 27 -3.017 21.685 2.775 1.00 2.31 H new ATOM 0 HD11 ILE A 27 -3.958 17.414 3.121 1.00 1.79 H new ATOM 0 HD12 ILE A 27 -4.625 18.193 4.576 1.00 1.79 H new ATOM 0 HD13 ILE A 27 -4.786 18.984 2.990 1.00 1.79 H new ATOM 406 N THR A 28 -1.718 19.540 6.991 1.00 2.23 N ATOM 407 CA THR A 28 -1.219 18.585 7.978 1.00 2.29 C ATOM 408 C THR A 28 -1.778 17.194 7.677 1.00 2.17 C ATOM 409 O THR A 28 -2.439 16.997 6.652 1.00 2.04 O ATOM 410 CB THR A 28 -1.537 19.021 9.437 1.00 2.57 C ATOM 411 OG1 THR A 28 -2.950 18.981 9.679 1.00 2.86 O ATOM 412 CG2 THR A 28 -1.014 20.424 9.735 1.00 3.10 C ATOM 0 H THR A 28 -2.688 19.823 7.129 1.00 2.23 H new ATOM 0 HA THR A 28 -0.132 18.556 7.900 1.00 2.29 H new ATOM 0 HB THR A 28 -1.032 18.317 10.098 1.00 2.57 H new ATOM 0 HG1 THR A 28 -3.132 19.257 10.602 1.00 2.86 H new ATOM 0 HG21 THR A 28 -1.256 20.692 10.764 1.00 3.10 H new ATOM 0 HG22 THR A 28 0.067 20.446 9.599 1.00 3.10 H new ATOM 0 HG23 THR A 28 -1.479 21.138 9.055 1.00 3.10 H new ATOM 420 N THR A 29 -1.516 16.238 8.567 1.00 2.30 N ATOM 421 CA THR A 29 -1.933 14.856 8.350 1.00 2.30 C ATOM 422 C THR A 29 -3.333 14.512 8.847 1.00 2.50 C ATOM 423 O THR A 29 -4.117 13.911 8.108 1.00 2.44 O ATOM 424 CB THR A 29 -0.937 13.886 8.954 1.00 2.48 C ATOM 425 OG1 THR A 29 -0.583 14.278 10.287 1.00 2.75 O ATOM 426 CG2 THR A 29 0.285 13.844 8.067 1.00 2.32 C ATOM 0 H THR A 29 -1.018 16.396 9.443 1.00 2.30 H new ATOM 0 HA THR A 29 -1.964 14.755 7.265 1.00 2.30 H new ATOM 0 HB THR A 29 -1.384 12.894 9.017 1.00 2.48 H new ATOM 0 HG1 THR A 29 0.059 13.637 10.657 1.00 2.75 H new ATOM 0 HG21 THR A 29 1.015 13.151 8.485 1.00 2.32 H new ATOM 0 HG22 THR A 29 -0.001 13.512 7.069 1.00 2.32 H new ATOM 0 HG23 THR A 29 0.724 14.840 8.006 1.00 2.32 H new ATOM 434 N LYS A 30 -3.640 14.869 10.100 1.00 2.77 N ATOM 435 CA LYS A 30 -4.956 14.580 10.705 1.00 3.04 C ATOM 436 C LYS A 30 -6.117 15.066 9.825 1.00 2.98 C ATOM 437 O LYS A 30 -7.139 14.383 9.701 1.00 3.14 O ATOM 438 CB LYS A 30 -5.057 15.221 12.098 1.00 3.33 C ATOM 439 CG LYS A 30 -4.228 14.524 13.176 1.00 3.42 C ATOM 440 CD LYS A 30 -2.790 15.030 13.205 1.00 3.38 C ATOM 441 CE LYS A 30 -1.987 14.360 14.308 1.00 3.68 C ATOM 442 NZ LYS A 30 -0.580 14.846 14.344 1.00 3.70 N ATOM 0 H LYS A 30 -2.996 15.360 10.720 1.00 2.77 H new ATOM 0 HA LYS A 30 -5.037 13.497 10.794 1.00 3.04 H new ATOM 0 HB2 LYS A 30 -4.740 16.262 12.029 1.00 3.33 H new ATOM 0 HB3 LYS A 30 -6.102 15.226 12.407 1.00 3.33 H new ATOM 0 HG2 LYS A 30 -4.689 14.686 14.150 1.00 3.42 H new ATOM 0 HG3 LYS A 30 -4.231 13.449 12.997 1.00 3.42 H new ATOM 0 HD2 LYS A 30 -2.317 14.840 12.242 1.00 3.38 H new ATOM 0 HD3 LYS A 30 -2.786 16.110 13.355 1.00 3.38 H new ATOM 0 HE2 LYS A 30 -2.462 14.551 15.270 1.00 3.68 H new ATOM 0 HE3 LYS A 30 -1.994 13.280 14.158 1.00 3.68 H new ATOM 0 HZ1 LYS A 30 -0.066 14.365 15.110 1.00 3.70 H new ATOM 0 HZ2 LYS A 30 -0.118 14.641 13.435 1.00 3.70 H new ATOM 0 HZ3 LYS A 30 -0.571 15.872 14.513 1.00 3.70 H new ATOM 456 N GLU A 31 -5.939 16.246 9.226 1.00 2.81 N ATOM 457 CA GLU A 31 -6.952 16.854 8.357 1.00 2.81 C ATOM 458 C GLU A 31 -6.807 16.448 6.880 1.00 2.52 C ATOM 459 O GLU A 31 -7.712 16.732 6.087 1.00 2.57 O ATOM 460 CB GLU A 31 -6.918 18.388 8.490 1.00 2.89 C ATOM 461 CG GLU A 31 -7.122 18.913 9.917 1.00 3.24 C ATOM 462 CD GLU A 31 -8.532 18.700 10.451 1.00 3.22 C ATOM 463 OE1 GLU A 31 -9.218 19.705 10.733 1.00 3.26 O ATOM 464 OE2 GLU A 31 -8.945 17.529 10.591 1.00 3.60 O ATOM 0 H GLU A 31 -5.092 16.806 9.328 1.00 2.81 H new ATOM 0 HA GLU A 31 -7.917 16.474 8.693 1.00 2.81 H new ATOM 0 HB2 GLU A 31 -5.960 18.750 8.118 1.00 2.89 H new ATOM 0 HB3 GLU A 31 -7.690 18.812 7.848 1.00 2.89 H new ATOM 0 HG2 GLU A 31 -6.413 18.419 10.581 1.00 3.24 H new ATOM 0 HG3 GLU A 31 -6.891 19.978 9.939 1.00 3.24 H new ATOM 471 N LEU A 32 -5.692 15.784 6.493 1.00 2.26 N ATOM 472 CA LEU A 32 -5.515 15.386 5.083 1.00 1.98 C ATOM 473 C LEU A 32 -6.339 14.173 4.719 1.00 2.07 C ATOM 474 O LEU A 32 -6.813 14.061 3.595 1.00 1.98 O ATOM 475 CB LEU A 32 -4.056 15.188 4.675 1.00 1.69 C ATOM 476 CG LEU A 32 -3.199 14.104 5.336 1.00 1.74 C ATOM 477 CD1 LEU A 32 -3.461 12.705 4.792 1.00 1.76 C ATOM 478 CD2 LEU A 32 -1.784 14.467 5.045 1.00 1.59 C ATOM 0 H LEU A 32 -4.928 15.521 7.115 1.00 2.26 H new ATOM 0 HA LEU A 32 -5.886 16.235 4.509 1.00 1.98 H new ATOM 0 HB2 LEU A 32 -4.046 14.995 3.602 1.00 1.69 H new ATOM 0 HB3 LEU A 32 -3.547 16.139 4.832 1.00 1.69 H new ATOM 0 HG LEU A 32 -3.435 14.068 6.399 1.00 1.74 H new ATOM 0 HD11 LEU A 32 -2.820 11.989 5.306 1.00 1.76 H new ATOM 0 HD12 LEU A 32 -4.505 12.440 4.957 1.00 1.76 H new ATOM 0 HD13 LEU A 32 -3.246 12.684 3.724 1.00 1.76 H new ATOM 0 HD21 LEU A 32 -1.119 13.728 5.492 1.00 1.59 H new ATOM 0 HD22 LEU A 32 -1.628 14.489 3.966 1.00 1.59 H new ATOM 0 HD23 LEU A 32 -1.567 15.450 5.463 1.00 1.59 H new ATOM 490 N GLY A 33 -6.465 13.242 5.657 1.00 2.31 N ATOM 491 CA GLY A 33 -7.312 12.078 5.431 1.00 2.52 C ATOM 492 C GLY A 33 -8.746 12.499 5.278 1.00 2.75 C ATOM 493 O GLY A 33 -9.577 11.740 4.793 1.00 2.91 O ATOM 0 H GLY A 33 -6.001 13.268 6.565 1.00 2.31 H new ATOM 0 HA2 GLY A 33 -6.984 11.549 4.536 1.00 2.52 H new ATOM 0 HA3 GLY A 33 -7.217 11.383 6.265 1.00 2.52 H new ATOM 497 N THR A 34 -9.024 13.726 5.751 1.00 2.81 N ATOM 498 CA THR A 34 -10.331 14.343 5.619 1.00 3.07 C ATOM 499 C THR A 34 -10.563 14.653 4.152 1.00 2.93 C ATOM 500 O THR A 34 -11.685 14.883 3.691 1.00 3.16 O ATOM 501 CB THR A 34 -10.500 15.595 6.521 1.00 3.23 C ATOM 502 OG1 THR A 34 -9.928 15.345 7.811 1.00 3.30 O ATOM 503 CG2 THR A 34 -11.970 15.972 6.696 1.00 3.60 C ATOM 0 H THR A 34 -8.340 14.309 6.234 1.00 2.81 H new ATOM 0 HA THR A 34 -11.092 13.646 5.970 1.00 3.07 H new ATOM 0 HB THR A 34 -9.987 16.423 6.032 1.00 3.23 H new ATOM 0 HG1 THR A 34 -10.036 16.139 8.376 1.00 3.30 H new ATOM 0 HG21 THR A 34 -12.046 16.853 7.334 1.00 3.60 H new ATOM 0 HG22 THR A 34 -12.408 16.190 5.722 1.00 3.60 H new ATOM 0 HG23 THR A 34 -12.506 15.143 7.158 1.00 3.60 H new ATOM 511 N VAL A 35 -9.438 14.648 3.460 1.00 2.56 N ATOM 512 CA VAL A 35 -9.379 14.792 2.008 1.00 2.39 C ATOM 513 C VAL A 35 -9.758 13.440 1.457 1.00 2.44 C ATOM 514 O VAL A 35 -10.414 13.354 0.426 1.00 2.53 O ATOM 515 CB VAL A 35 -7.967 15.150 1.419 1.00 2.01 C ATOM 516 CG1 VAL A 35 -7.961 15.099 -0.111 1.00 1.92 C ATOM 517 CG2 VAL A 35 -7.482 16.515 1.851 1.00 2.02 C ATOM 0 H VAL A 35 -8.521 14.542 3.894 1.00 2.56 H new ATOM 0 HA VAL A 35 -10.034 15.619 1.734 1.00 2.39 H new ATOM 0 HB VAL A 35 -7.291 14.394 1.818 1.00 2.01 H new ATOM 0 HG11 VAL A 35 -6.967 15.353 -0.480 1.00 1.92 H new ATOM 0 HG12 VAL A 35 -8.226 14.095 -0.443 1.00 1.92 H new ATOM 0 HG13 VAL A 35 -8.686 15.813 -0.502 1.00 1.92 H new ATOM 0 HG21 VAL A 35 -6.502 16.708 1.414 1.00 2.02 H new ATOM 0 HG22 VAL A 35 -8.186 17.275 1.513 1.00 2.02 H new ATOM 0 HG23 VAL A 35 -7.407 16.547 2.938 1.00 2.02 H new ATOM 527 N MET A 36 -9.329 12.375 2.173 1.00 2.44 N ATOM 528 CA MET A 36 -9.623 11.031 1.736 1.00 2.55 C ATOM 529 C MET A 36 -11.027 10.577 2.144 1.00 2.97 C ATOM 530 O MET A 36 -11.753 9.997 1.331 1.00 3.11 O ATOM 531 CB MET A 36 -8.613 10.032 2.297 1.00 2.49 C ATOM 532 CG MET A 36 -7.259 10.028 1.601 1.00 2.24 C ATOM 533 SD MET A 36 -6.045 11.050 2.459 1.00 2.48 S ATOM 534 CE MET A 36 -4.524 10.203 2.035 1.00 1.96 C ATOM 0 H MET A 36 -8.790 12.438 3.037 1.00 2.44 H new ATOM 0 HA MET A 36 -9.562 11.054 0.648 1.00 2.55 H new ATOM 0 HB2 MET A 36 -8.461 10.247 3.355 1.00 2.49 H new ATOM 0 HB3 MET A 36 -9.040 9.031 2.234 1.00 2.49 H new ATOM 0 HG2 MET A 36 -6.889 9.005 1.537 1.00 2.24 H new ATOM 0 HG3 MET A 36 -7.377 10.389 0.579 1.00 2.24 H new ATOM 0 HE1 MET A 36 -4.066 9.803 2.940 1.00 1.96 H new ATOM 0 HE2 MET A 36 -4.742 9.386 1.347 1.00 1.96 H new ATOM 0 HE3 MET A 36 -3.837 10.904 1.560 1.00 1.96 H new ATOM 544 N ARG A 37 -11.407 10.860 3.408 1.00 3.18 N ATOM 545 CA ARG A 37 -12.681 10.416 3.970 1.00 3.60 C ATOM 546 C ARG A 37 -13.910 11.015 3.270 1.00 3.77 C ATOM 547 O ARG A 37 -15.021 10.494 3.400 1.00 4.10 O ATOM 548 CB ARG A 37 -12.741 10.784 5.458 1.00 3.78 C ATOM 549 CG ARG A 37 -12.785 9.591 6.401 1.00 4.18 C ATOM 550 CD ARG A 37 -14.183 8.984 6.495 1.00 4.52 C ATOM 551 NE ARG A 37 -14.243 7.881 7.461 1.00 4.90 N ATOM 552 CZ ARG A 37 -15.224 6.969 7.518 1.00 5.36 C ATOM 553 NH1 ARG A 37 -16.250 7.005 6.669 1.00 5.45 N ATOM 554 NH2 ARG A 37 -15.176 6.012 8.435 1.00 5.91 N ATOM 0 H ARG A 37 -10.836 11.401 4.057 1.00 3.18 H new ATOM 0 HA ARG A 37 -12.718 9.337 3.820 1.00 3.60 H new ATOM 0 HB2 ARG A 37 -11.872 11.394 5.704 1.00 3.78 H new ATOM 0 HB3 ARG A 37 -13.623 11.401 5.632 1.00 3.78 H new ATOM 0 HG2 ARG A 37 -12.083 8.831 6.057 1.00 4.18 H new ATOM 0 HG3 ARG A 37 -12.458 9.902 7.393 1.00 4.18 H new ATOM 0 HD2 ARG A 37 -14.895 9.757 6.784 1.00 4.52 H new ATOM 0 HD3 ARG A 37 -14.487 8.622 5.513 1.00 4.52 H new ATOM 0 HE ARG A 37 -13.484 7.803 8.138 1.00 4.90 H new ATOM 0 HH11 ARG A 37 -16.299 7.736 5.959 1.00 5.45 H new ATOM 0 HH12 ARG A 37 -16.986 6.302 6.729 1.00 5.45 H new ATOM 0 HH21 ARG A 37 -14.396 5.973 9.091 1.00 5.91 H new ATOM 0 HH22 ARG A 37 -15.919 5.315 8.484 1.00 5.91 H new ATOM 568 N SER A 38 -13.689 12.106 2.534 1.00 3.57 N ATOM 569 CA SER A 38 -14.762 12.829 1.831 1.00 3.76 C ATOM 570 C SER A 38 -15.223 12.126 0.544 1.00 3.81 C ATOM 571 O SER A 38 -16.268 12.484 -0.011 1.00 4.08 O ATOM 572 CB SER A 38 -14.296 14.252 1.507 1.00 3.59 C ATOM 573 OG SER A 38 -15.374 15.060 1.063 1.00 3.89 O ATOM 0 H SER A 38 -12.764 12.516 2.406 1.00 3.57 H new ATOM 0 HA SER A 38 -15.622 12.852 2.501 1.00 3.76 H new ATOM 0 HB2 SER A 38 -13.844 14.699 2.393 1.00 3.59 H new ATOM 0 HB3 SER A 38 -13.524 14.218 0.738 1.00 3.59 H new ATOM 0 HG SER A 38 -16.089 14.488 0.714 1.00 3.89 H new ATOM 579 N LEU A 39 -14.455 11.135 0.078 1.00 3.59 N ATOM 580 CA LEU A 39 -14.804 10.406 -1.148 1.00 3.65 C ATOM 581 C LEU A 39 -15.312 8.994 -0.842 1.00 3.91 C ATOM 582 O LEU A 39 -15.788 8.290 -1.740 1.00 4.06 O ATOM 583 CB LEU A 39 -13.608 10.341 -2.110 1.00 3.29 C ATOM 584 CG LEU A 39 -12.949 11.687 -2.411 1.00 3.06 C ATOM 585 CD1 LEU A 39 -11.804 11.924 -1.453 1.00 2.78 C ATOM 586 CD2 LEU A 39 -12.466 11.758 -3.844 1.00 3.19 C ATOM 0 H LEU A 39 -13.594 10.821 0.526 1.00 3.59 H new ATOM 0 HA LEU A 39 -15.611 10.958 -1.630 1.00 3.65 H new ATOM 0 HB2 LEU A 39 -12.858 9.672 -1.689 1.00 3.29 H new ATOM 0 HB3 LEU A 39 -13.939 9.897 -3.049 1.00 3.29 H new ATOM 0 HG LEU A 39 -13.695 12.470 -2.277 1.00 3.06 H new ATOM 0 HD11 LEU A 39 -11.339 12.885 -1.673 1.00 2.78 H new ATOM 0 HD12 LEU A 39 -12.180 11.929 -0.430 1.00 2.78 H new ATOM 0 HD13 LEU A 39 -11.066 11.130 -1.564 1.00 2.78 H new ATOM 0 HD21 LEU A 39 -12.003 12.728 -4.024 1.00 3.19 H new ATOM 0 HD22 LEU A 39 -11.736 10.969 -4.021 1.00 3.19 H new ATOM 0 HD23 LEU A 39 -13.311 11.629 -4.520 1.00 3.19 H new ATOM 598 N GLY A 40 -15.214 8.598 0.431 1.00 4.01 N ATOM 599 CA GLY A 40 -15.655 7.277 0.856 1.00 4.30 C ATOM 600 C GLY A 40 -14.498 6.321 1.095 1.00 4.16 C ATOM 601 O GLY A 40 -14.656 5.106 0.947 1.00 4.36 O ATOM 0 H GLY A 40 -14.833 9.176 1.180 1.00 4.01 H new ATOM 0 HA2 GLY A 40 -16.239 7.371 1.772 1.00 4.30 H new ATOM 0 HA3 GLY A 40 -16.317 6.858 0.098 1.00 4.30 H new ATOM 605 N GLN A 41 -13.333 6.878 1.466 1.00 3.86 N ATOM 606 CA GLN A 41 -12.129 6.090 1.732 1.00 3.74 C ATOM 607 C GLN A 41 -11.299 6.799 2.798 1.00 3.60 C ATOM 608 O GLN A 41 -10.832 7.915 2.586 1.00 3.46 O ATOM 609 CB GLN A 41 -11.310 5.919 0.436 1.00 3.47 C ATOM 610 CG GLN A 41 -10.357 4.724 0.432 1.00 3.68 C ATOM 611 CD GLN A 41 -11.060 3.404 0.167 1.00 3.94 C ATOM 612 OE1 GLN A 41 -11.198 2.980 -0.980 1.00 4.34 O ATOM 613 NE2 GLN A 41 -11.508 2.748 1.232 1.00 4.15 N ATOM 0 H GLN A 41 -13.205 7.883 1.588 1.00 3.86 H new ATOM 0 HA GLN A 41 -12.409 5.100 2.091 1.00 3.74 H new ATOM 0 HB2 GLN A 41 -12.000 5.818 -0.402 1.00 3.47 H new ATOM 0 HB3 GLN A 41 -10.732 6.827 0.266 1.00 3.47 H new ATOM 0 HG2 GLN A 41 -9.591 4.880 -0.328 1.00 3.68 H new ATOM 0 HG3 GLN A 41 -9.846 4.671 1.393 1.00 3.68 H new ATOM 0 HE21 GLN A 41 -11.372 3.137 2.165 1.00 4.15 H new ATOM 0 HE22 GLN A 41 -11.988 1.856 1.117 1.00 4.15 H new ATOM 622 N ASN A 42 -11.098 6.136 3.929 1.00 3.76 N ATOM 623 CA ASN A 42 -10.350 6.711 5.028 1.00 3.68 C ATOM 624 C ASN A 42 -8.924 6.099 5.090 1.00 3.53 C ATOM 625 O ASN A 42 -8.796 4.880 4.945 1.00 3.67 O ATOM 626 CB ASN A 42 -11.107 6.428 6.345 1.00 4.06 C ATOM 627 CG ASN A 42 -10.611 7.216 7.556 1.00 4.60 C ATOM 628 OD1 ASN A 42 -9.423 7.501 7.695 1.00 4.82 O ATOM 629 ND2 ASN A 42 -11.529 7.553 8.454 1.00 5.19 N ATOM 0 H ASN A 42 -11.447 5.194 4.105 1.00 3.76 H new ATOM 0 HA ASN A 42 -10.253 7.787 4.881 1.00 3.68 H new ATOM 0 HB2 ASN A 42 -12.164 6.649 6.194 1.00 4.06 H new ATOM 0 HB3 ASN A 42 -11.033 5.364 6.568 1.00 4.06 H new ATOM 0 HD21 ASN A 42 -11.258 8.066 9.293 1.00 5.19 H new ATOM 0 HD22 ASN A 42 -12.506 7.299 8.305 1.00 5.19 H new ATOM 636 N PRO A 43 -7.830 6.907 5.304 1.00 3.30 N ATOM 637 CA PRO A 43 -6.455 6.374 5.399 1.00 3.22 C ATOM 638 C PRO A 43 -6.120 5.858 6.811 1.00 3.54 C ATOM 639 O PRO A 43 -6.917 6.031 7.739 1.00 3.81 O ATOM 640 CB PRO A 43 -5.566 7.582 5.046 1.00 2.89 C ATOM 641 CG PRO A 43 -6.482 8.754 4.851 1.00 2.92 C ATOM 642 CD PRO A 43 -7.814 8.378 5.440 1.00 3.17 C ATOM 0 HA PRO A 43 -6.311 5.518 4.740 1.00 3.22 H new ATOM 0 HB2 PRO A 43 -4.849 7.780 5.843 1.00 2.89 H new ATOM 0 HB3 PRO A 43 -4.990 7.387 4.141 1.00 2.89 H new ATOM 0 HG2 PRO A 43 -6.081 9.642 5.341 1.00 2.92 H new ATOM 0 HG3 PRO A 43 -6.583 8.992 3.792 1.00 2.92 H new ATOM 0 HD2 PRO A 43 -7.898 8.689 6.481 1.00 3.17 H new ATOM 0 HD3 PRO A 43 -8.640 8.843 4.901 1.00 3.17 H new ATOM 650 N THR A 44 -4.939 5.226 6.966 1.00 3.56 N ATOM 651 CA THR A 44 -4.498 4.686 8.265 1.00 3.90 C ATOM 652 C THR A 44 -4.011 5.811 9.191 1.00 3.85 C ATOM 653 O THR A 44 -3.711 6.911 8.727 1.00 3.54 O ATOM 654 CB THR A 44 -3.375 3.631 8.105 1.00 4.01 C ATOM 655 OG1 THR A 44 -3.352 3.118 6.766 1.00 3.86 O ATOM 656 CG2 THR A 44 -3.572 2.477 9.080 1.00 4.50 C ATOM 0 H THR A 44 -4.274 5.078 6.207 1.00 3.56 H new ATOM 0 HA THR A 44 -5.365 4.199 8.711 1.00 3.90 H new ATOM 0 HB THR A 44 -2.426 4.122 8.321 1.00 4.01 H new ATOM 0 HG1 THR A 44 -2.623 2.469 6.677 1.00 3.86 H new ATOM 0 HG21 THR A 44 -2.771 1.749 8.949 1.00 4.50 H new ATOM 0 HG22 THR A 44 -3.553 2.857 10.102 1.00 4.50 H new ATOM 0 HG23 THR A 44 -4.532 1.999 8.888 1.00 4.50 H new ATOM 664 N GLU A 45 -3.937 5.519 10.498 1.00 4.21 N ATOM 665 CA GLU A 45 -3.517 6.505 11.509 1.00 4.27 C ATOM 666 C GLU A 45 -1.993 6.690 11.589 1.00 4.16 C ATOM 667 O GLU A 45 -1.517 7.816 11.760 1.00 4.02 O ATOM 668 CB GLU A 45 -4.056 6.107 12.891 1.00 4.73 C ATOM 669 CG GLU A 45 -5.560 6.307 13.061 1.00 4.87 C ATOM 670 CD GLU A 45 -6.383 5.195 12.434 1.00 5.41 C ATOM 671 OE1 GLU A 45 -6.663 4.197 13.132 1.00 5.67 O ATOM 672 OE2 GLU A 45 -6.747 5.323 11.246 1.00 5.89 O ATOM 0 H GLU A 45 -4.164 4.602 10.883 1.00 4.21 H new ATOM 0 HA GLU A 45 -3.937 7.460 11.195 1.00 4.27 H new ATOM 0 HB2 GLU A 45 -3.818 5.059 13.073 1.00 4.73 H new ATOM 0 HB3 GLU A 45 -3.536 6.689 13.652 1.00 4.73 H new ATOM 0 HG2 GLU A 45 -5.794 6.370 14.124 1.00 4.87 H new ATOM 0 HG3 GLU A 45 -5.847 7.259 12.615 1.00 4.87 H new ATOM 679 N ALA A 46 -1.240 5.589 11.465 1.00 4.29 N ATOM 680 CA ALA A 46 0.229 5.632 11.560 1.00 4.30 C ATOM 681 C ALA A 46 0.921 5.897 10.220 1.00 3.96 C ATOM 682 O ALA A 46 2.060 6.372 10.199 1.00 3.93 O ATOM 683 CB ALA A 46 0.750 4.333 12.152 1.00 4.70 C ATOM 0 H ALA A 46 -1.621 4.658 11.299 1.00 4.29 H new ATOM 0 HA ALA A 46 0.469 6.473 12.211 1.00 4.30 H new ATOM 0 HB1 ALA A 46 1.837 4.374 12.219 1.00 4.70 H new ATOM 0 HB2 ALA A 46 0.330 4.193 13.148 1.00 4.70 H new ATOM 0 HB3 ALA A 46 0.457 3.499 11.514 1.00 4.70 H new ATOM 689 N GLU A 47 0.237 5.592 9.110 1.00 3.76 N ATOM 690 CA GLU A 47 0.800 5.774 7.769 1.00 3.47 C ATOM 691 C GLU A 47 0.807 7.228 7.311 1.00 3.09 C ATOM 692 O GLU A 47 1.608 7.595 6.449 1.00 2.91 O ATOM 693 CB GLU A 47 0.073 4.884 6.753 1.00 3.43 C ATOM 694 CG GLU A 47 0.392 3.401 6.895 1.00 3.78 C ATOM 695 CD GLU A 47 -0.152 2.577 5.745 1.00 3.77 C ATOM 696 OE1 GLU A 47 0.405 2.674 4.631 1.00 3.72 O ATOM 697 OE2 GLU A 47 -1.131 1.831 5.959 1.00 4.19 O ATOM 0 H GLU A 47 -0.711 5.216 9.116 1.00 3.76 H new ATOM 0 HA GLU A 47 1.845 5.469 7.828 1.00 3.47 H new ATOM 0 HB2 GLU A 47 -1.002 5.027 6.863 1.00 3.43 H new ATOM 0 HB3 GLU A 47 0.337 5.208 5.746 1.00 3.43 H new ATOM 0 HG2 GLU A 47 1.472 3.269 6.953 1.00 3.78 H new ATOM 0 HG3 GLU A 47 -0.025 3.031 7.832 1.00 3.78 H new ATOM 704 N LEU A 48 -0.078 8.055 7.878 1.00 3.03 N ATOM 705 CA LEU A 48 -0.117 9.490 7.549 1.00 2.71 C ATOM 706 C LEU A 48 1.198 10.159 7.933 1.00 2.75 C ATOM 707 O LEU A 48 1.571 11.185 7.380 1.00 2.53 O ATOM 708 CB LEU A 48 -1.232 10.223 8.288 1.00 2.77 C ATOM 709 CG LEU A 48 -2.603 9.565 8.282 1.00 2.90 C ATOM 710 CD1 LEU A 48 -3.336 9.837 9.588 1.00 3.19 C ATOM 711 CD2 LEU A 48 -3.390 10.090 7.109 1.00 2.63 C ATOM 0 H LEU A 48 -0.774 7.761 8.563 1.00 3.03 H new ATOM 0 HA LEU A 48 -0.294 9.552 6.475 1.00 2.71 H new ATOM 0 HB2 LEU A 48 -0.923 10.356 9.325 1.00 2.77 H new ATOM 0 HB3 LEU A 48 -1.330 11.218 7.855 1.00 2.77 H new ATOM 0 HG LEU A 48 -2.488 8.485 8.188 1.00 2.90 H new ATOM 0 HD11 LEU A 48 -4.315 9.357 9.563 1.00 3.19 H new ATOM 0 HD12 LEU A 48 -2.757 9.437 10.420 1.00 3.19 H new ATOM 0 HD13 LEU A 48 -3.462 10.912 9.717 1.00 3.19 H new ATOM 0 HD21 LEU A 48 -4.376 9.625 7.095 1.00 2.63 H new ATOM 0 HD22 LEU A 48 -3.500 11.171 7.199 1.00 2.63 H new ATOM 0 HD23 LEU A 48 -2.864 9.855 6.184 1.00 2.63 H new ATOM 723 N GLN A 49 1.866 9.571 8.924 1.00 3.08 N ATOM 724 CA GLN A 49 3.149 10.064 9.411 1.00 3.22 C ATOM 725 C GLN A 49 4.313 9.597 8.530 1.00 3.25 C ATOM 726 O GLN A 49 5.247 10.366 8.298 1.00 3.25 O ATOM 727 CB GLN A 49 3.382 9.607 10.855 1.00 3.61 C ATOM 728 CG GLN A 49 2.517 10.329 11.878 1.00 3.67 C ATOM 729 CD GLN A 49 2.766 9.850 13.295 1.00 4.10 C ATOM 730 OE1 GLN A 49 3.621 10.385 14.002 1.00 4.58 O ATOM 731 NE2 GLN A 49 2.019 8.837 13.718 1.00 4.30 N ATOM 0 H GLN A 49 1.531 8.739 9.411 1.00 3.08 H new ATOM 0 HA GLN A 49 3.112 11.153 9.372 1.00 3.22 H new ATOM 0 HB2 GLN A 49 3.190 8.536 10.922 1.00 3.61 H new ATOM 0 HB3 GLN A 49 4.431 9.759 11.109 1.00 3.61 H new ATOM 0 HG2 GLN A 49 2.711 11.400 11.821 1.00 3.67 H new ATOM 0 HG3 GLN A 49 1.466 10.182 11.628 1.00 3.67 H new ATOM 0 HE21 GLN A 49 1.322 8.424 13.098 1.00 4.30 H new ATOM 0 HE22 GLN A 49 2.142 8.472 14.663 1.00 4.30 H new ATOM 740 N ASP A 50 4.259 8.339 8.047 1.00 3.34 N ATOM 741 CA ASP A 50 5.344 7.793 7.217 1.00 3.43 C ATOM 742 C ASP A 50 5.183 8.057 5.712 1.00 3.13 C ATOM 743 O ASP A 50 6.138 8.486 5.062 1.00 3.13 O ATOM 744 CB ASP A 50 5.513 6.304 7.448 1.00 3.76 C ATOM 745 CG ASP A 50 5.997 5.971 8.849 1.00 4.11 C ATOM 746 OD1 ASP A 50 5.144 5.776 9.740 1.00 4.38 O ATOM 747 OD2 ASP A 50 7.227 5.905 9.052 1.00 4.38 O ATOM 0 H ASP A 50 3.487 7.694 8.216 1.00 3.34 H new ATOM 0 HA ASP A 50 6.237 8.329 7.538 1.00 3.43 H new ATOM 0 HB2 ASP A 50 4.561 5.804 7.270 1.00 3.76 H new ATOM 0 HB3 ASP A 50 6.222 5.907 6.721 1.00 3.76 H new ATOM 752 N MET A 51 3.997 7.769 5.143 1.00 2.93 N ATOM 753 CA MET A 51 3.756 7.983 3.694 1.00 2.66 C ATOM 754 C MET A 51 3.843 9.445 3.354 1.00 2.39 C ATOM 755 O MET A 51 4.378 9.830 2.313 1.00 2.30 O ATOM 756 CB MET A 51 2.396 7.442 3.239 1.00 2.59 C ATOM 757 CG MET A 51 2.007 6.087 3.826 1.00 2.35 C ATOM 758 SD MET A 51 0.281 5.629 3.509 1.00 2.18 S ATOM 759 CE MET A 51 -0.634 7.016 4.198 1.00 2.48 C ATOM 0 H MET A 51 3.197 7.392 5.652 1.00 2.93 H new ATOM 0 HA MET A 51 4.533 7.430 3.166 1.00 2.66 H new ATOM 0 HB2 MET A 51 1.627 8.168 3.502 1.00 2.59 H new ATOM 0 HB3 MET A 51 2.400 7.362 2.152 1.00 2.59 H new ATOM 0 HG2 MET A 51 2.660 5.319 3.411 1.00 2.35 H new ATOM 0 HG3 MET A 51 2.178 6.104 4.902 1.00 2.35 H new ATOM 0 HE1 MET A 51 -1.296 6.659 4.987 1.00 2.48 H new ATOM 0 HE2 MET A 51 0.065 7.744 4.611 1.00 2.48 H new ATOM 0 HE3 MET A 51 -1.226 7.487 3.413 1.00 2.48 H new ATOM 769 N ILE A 52 3.293 10.245 4.242 1.00 2.33 N ATOM 770 CA ILE A 52 3.322 11.682 4.124 1.00 2.15 C ATOM 771 C ILE A 52 4.745 12.183 4.327 1.00 2.40 C ATOM 772 O ILE A 52 5.104 13.264 3.886 1.00 2.36 O ATOM 773 CB ILE A 52 2.325 12.294 5.123 1.00 2.10 C ATOM 774 CG1 ILE A 52 1.021 12.588 4.400 1.00 1.78 C ATOM 775 CG2 ILE A 52 2.860 13.530 5.830 1.00 2.22 C ATOM 776 CD1 ILE A 52 -0.082 11.603 4.715 1.00 1.85 C ATOM 0 H ILE A 52 2.808 9.909 5.074 1.00 2.33 H new ATOM 0 HA ILE A 52 3.014 11.993 3.126 1.00 2.15 H new ATOM 0 HB ILE A 52 2.155 11.565 5.915 1.00 2.10 H new ATOM 0 HG12 ILE A 52 0.687 13.591 4.664 1.00 1.78 H new ATOM 0 HG13 ILE A 52 1.203 12.586 3.325 1.00 1.78 H new ATOM 0 HG21 ILE A 52 2.106 13.910 6.519 1.00 2.22 H new ATOM 0 HG22 ILE A 52 3.761 13.270 6.385 1.00 2.22 H new ATOM 0 HG23 ILE A 52 3.097 14.297 5.093 1.00 2.22 H new ATOM 0 HD11 ILE A 52 -0.982 11.876 4.164 1.00 1.85 H new ATOM 0 HD12 ILE A 52 0.232 10.600 4.424 1.00 1.85 H new ATOM 0 HD13 ILE A 52 -0.292 11.622 5.784 1.00 1.85 H new ATOM 788 N ASN A 53 5.545 11.347 4.981 1.00 2.72 N ATOM 789 CA ASN A 53 6.946 11.631 5.236 1.00 3.03 C ATOM 790 C ASN A 53 7.746 11.483 3.968 1.00 3.09 C ATOM 791 O ASN A 53 8.923 11.827 3.886 1.00 3.36 O ATOM 792 CB ASN A 53 7.464 10.690 6.329 1.00 3.37 C ATOM 793 CG ASN A 53 8.837 11.067 6.868 1.00 3.66 C ATOM 794 OD1 ASN A 53 9.862 10.617 6.356 1.00 3.89 O ATOM 795 ND2 ASN A 53 8.858 11.894 7.906 1.00 3.98 N ATOM 0 H ASN A 53 5.234 10.448 5.350 1.00 2.72 H new ATOM 0 HA ASN A 53 7.055 12.659 5.580 1.00 3.03 H new ATOM 0 HB2 ASN A 53 6.751 10.680 7.154 1.00 3.37 H new ATOM 0 HB3 ASN A 53 7.506 9.676 5.932 1.00 3.37 H new ATOM 0 HD21 ASN A 53 9.749 12.181 8.311 1.00 3.98 H new ATOM 0 HD22 ASN A 53 7.983 12.242 8.298 1.00 3.98 H new ATOM 802 N GLU A 54 7.080 10.895 3.034 1.00 2.90 N ATOM 803 CA GLU A 54 7.602 10.703 1.692 1.00 2.96 C ATOM 804 C GLU A 54 7.278 11.916 0.814 1.00 2.77 C ATOM 805 O GLU A 54 7.916 12.126 -0.222 1.00 2.93 O ATOM 806 CB GLU A 54 7.026 9.424 1.066 1.00 2.91 C ATOM 807 CG GLU A 54 7.534 8.132 1.705 1.00 3.22 C ATOM 808 CD GLU A 54 8.913 7.729 1.213 1.00 3.25 C ATOM 809 OE1 GLU A 54 9.912 8.152 1.832 1.00 3.56 O ATOM 810 OE2 GLU A 54 8.993 6.990 0.208 1.00 3.40 O ATOM 0 H GLU A 54 6.140 10.522 3.167 1.00 2.90 H new ATOM 0 HA GLU A 54 8.685 10.598 1.757 1.00 2.96 H new ATOM 0 HB2 GLU A 54 5.939 9.452 1.144 1.00 2.91 H new ATOM 0 HB3 GLU A 54 7.269 9.411 0.004 1.00 2.91 H new ATOM 0 HG2 GLU A 54 7.562 8.255 2.788 1.00 3.22 H new ATOM 0 HG3 GLU A 54 6.830 7.327 1.494 1.00 3.22 H new ATOM 817 N VAL A 55 6.282 12.706 1.242 1.00 2.49 N ATOM 818 CA VAL A 55 5.866 13.904 0.493 1.00 2.36 C ATOM 819 C VAL A 55 5.833 15.185 1.319 1.00 2.40 C ATOM 820 O VAL A 55 5.803 16.279 0.745 1.00 2.49 O ATOM 821 CB VAL A 55 4.497 13.728 -0.230 1.00 1.99 C ATOM 822 CG1 VAL A 55 4.604 12.690 -1.323 1.00 2.37 C ATOM 823 CG2 VAL A 55 3.366 13.347 0.727 1.00 2.07 C ATOM 0 H VAL A 55 5.752 12.540 2.097 1.00 2.49 H new ATOM 0 HA VAL A 55 6.653 14.014 -0.254 1.00 2.36 H new ATOM 0 HB VAL A 55 4.249 14.698 -0.662 1.00 1.99 H new ATOM 0 HG11 VAL A 55 3.638 12.581 -1.817 1.00 2.37 H new ATOM 0 HG12 VAL A 55 5.351 13.005 -2.052 1.00 2.37 H new ATOM 0 HG13 VAL A 55 4.900 11.735 -0.890 1.00 2.37 H new ATOM 0 HG21 VAL A 55 2.437 13.238 0.167 1.00 2.07 H new ATOM 0 HG22 VAL A 55 3.607 12.404 1.218 1.00 2.07 H new ATOM 0 HG23 VAL A 55 3.247 14.127 1.479 1.00 2.07 H new ATOM 833 N ALA A 56 5.838 15.066 2.639 1.00 2.43 N ATOM 834 CA ALA A 56 5.791 16.243 3.489 1.00 2.53 C ATOM 835 C ALA A 56 7.133 16.404 4.171 1.00 2.90 C ATOM 836 O ALA A 56 7.287 17.141 5.154 1.00 3.05 O ATOM 837 CB ALA A 56 4.639 16.129 4.473 1.00 2.36 C ATOM 0 H ALA A 56 5.874 14.177 3.138 1.00 2.43 H new ATOM 0 HA ALA A 56 5.606 17.140 2.898 1.00 2.53 H new ATOM 0 HB1 ALA A 56 4.612 17.016 5.106 1.00 2.36 H new ATOM 0 HB2 ALA A 56 3.700 16.045 3.926 1.00 2.36 H new ATOM 0 HB3 ALA A 56 4.777 15.244 5.094 1.00 2.36 H new ATOM 843 N ALA A 57 8.108 15.701 3.596 1.00 3.08 N ATOM 844 CA ALA A 57 9.469 15.715 4.075 1.00 3.45 C ATOM 845 C ALA A 57 10.321 16.663 3.267 1.00 3.67 C ATOM 846 O ALA A 57 10.129 16.821 2.058 1.00 3.69 O ATOM 847 CB ALA A 57 10.050 14.310 4.082 1.00 3.64 C ATOM 0 H ALA A 57 7.964 15.106 2.780 1.00 3.08 H new ATOM 0 HA ALA A 57 9.465 16.079 5.102 1.00 3.45 H new ATOM 0 HB1 ALA A 57 11.077 14.343 4.446 1.00 3.64 H new ATOM 0 HB2 ALA A 57 9.453 13.673 4.735 1.00 3.64 H new ATOM 0 HB3 ALA A 57 10.037 13.906 3.070 1.00 3.64 H new ATOM 886 N GLY A 61 7.405 21.333 7.192 1.00 3.52 N ATOM 887 CA GLY A 61 6.858 20.572 8.310 1.00 3.44 C ATOM 888 C GLY A 61 5.459 20.034 8.046 1.00 3.11 C ATOM 889 O GLY A 61 4.881 19.367 8.909 1.00 3.10 O ATOM 0 HA2 GLY A 61 7.524 19.738 8.533 1.00 3.44 H new ATOM 0 HA3 GLY A 61 6.834 21.207 9.196 1.00 3.44 H new ATOM 893 N THR A 62 4.917 20.323 6.856 1.00 2.91 N ATOM 894 CA THR A 62 3.586 19.855 6.471 1.00 2.61 C ATOM 895 C THR A 62 3.584 19.249 5.061 1.00 2.41 C ATOM 896 O THR A 62 4.633 19.141 4.417 1.00 2.55 O ATOM 897 CB THR A 62 2.518 20.965 6.595 1.00 2.62 C ATOM 898 OG1 THR A 62 3.055 22.228 6.187 1.00 2.84 O ATOM 899 CG2 THR A 62 2.016 21.054 8.030 1.00 2.75 C ATOM 0 H THR A 62 5.385 20.882 6.142 1.00 2.91 H new ATOM 0 HA THR A 62 3.319 19.067 7.175 1.00 2.61 H new ATOM 0 HB THR A 62 1.683 20.713 5.941 1.00 2.62 H new ATOM 0 HG1 THR A 62 2.566 22.553 5.402 1.00 2.84 H new ATOM 0 HG21 THR A 62 1.264 21.840 8.104 1.00 2.75 H new ATOM 0 HG22 THR A 62 1.575 20.101 8.321 1.00 2.75 H new ATOM 0 HG23 THR A 62 2.849 21.286 8.693 1.00 2.75 H new ATOM 907 N ILE A 63 2.389 18.881 4.594 1.00 2.14 N ATOM 908 CA ILE A 63 2.179 18.216 3.313 1.00 1.93 C ATOM 909 C ILE A 63 1.731 19.161 2.241 1.00 1.95 C ATOM 910 O ILE A 63 0.832 19.952 2.454 1.00 1.99 O ATOM 911 CB ILE A 63 1.008 17.221 3.324 1.00 1.63 C ATOM 912 CG1 ILE A 63 0.289 17.129 4.682 1.00 1.70 C ATOM 913 CG2 ILE A 63 1.352 15.821 2.794 1.00 1.51 C ATOM 914 CD1 ILE A 63 1.047 16.352 5.734 1.00 1.95 C ATOM 0 H ILE A 63 1.524 19.042 5.110 1.00 2.14 H new ATOM 0 HA ILE A 63 3.149 17.751 3.134 1.00 1.93 H new ATOM 0 HB ILE A 63 0.309 17.657 2.610 1.00 1.63 H new ATOM 0 HG12 ILE A 63 0.107 18.138 5.053 1.00 1.70 H new ATOM 0 HG13 ILE A 63 -0.685 16.663 4.534 1.00 1.70 H new ATOM 0 HG21 ILE A 63 0.466 15.187 2.839 1.00 1.51 H new ATOM 0 HG22 ILE A 63 1.692 15.896 1.761 1.00 1.51 H new ATOM 0 HG23 ILE A 63 2.142 15.385 3.405 1.00 1.51 H new ATOM 0 HD11 ILE A 63 0.471 16.335 6.659 1.00 1.95 H new ATOM 0 HD12 ILE A 63 1.207 15.331 5.388 1.00 1.95 H new ATOM 0 HD13 ILE A 63 2.010 16.829 5.915 1.00 1.95 H new ATOM 926 N ASP A 64 2.277 18.980 1.069 1.00 2.01 N ATOM 927 CA ASP A 64 1.901 19.758 -0.084 1.00 2.12 C ATOM 928 C ASP A 64 0.919 18.932 -0.933 1.00 1.86 C ATOM 929 O ASP A 64 0.854 17.710 -0.778 1.00 1.62 O ATOM 930 CB ASP A 64 3.118 20.225 -0.899 1.00 2.46 C ATOM 931 CG ASP A 64 3.972 19.090 -1.453 1.00 2.46 C ATOM 932 OD1 ASP A 64 4.917 18.664 -0.757 1.00 2.68 O ATOM 933 OD2 ASP A 64 3.691 18.632 -2.581 1.00 2.74 O ATOM 0 H ASP A 64 3.000 18.285 0.884 1.00 2.01 H new ATOM 0 HA ASP A 64 1.411 20.673 0.249 1.00 2.12 H new ATOM 0 HB2 ASP A 64 2.771 20.842 -1.728 1.00 2.46 H new ATOM 0 HB3 ASP A 64 3.741 20.860 -0.269 1.00 2.46 H new ATOM 938 N PHE A 65 0.171 19.586 -1.824 1.00 1.97 N ATOM 939 CA PHE A 65 -0.847 18.895 -2.630 1.00 1.80 C ATOM 940 C PHE A 65 -0.294 18.080 -3.844 1.00 1.83 C ATOM 941 O PHE A 65 -0.777 16.968 -4.072 1.00 1.60 O ATOM 942 CB PHE A 65 -1.899 19.904 -3.127 1.00 2.04 C ATOM 943 CG PHE A 65 -3.180 19.276 -3.637 1.00 1.95 C ATOM 944 CD1 PHE A 65 -3.534 19.350 -4.974 1.00 2.40 C ATOM 945 CD2 PHE A 65 -4.026 18.615 -2.768 1.00 2.11 C ATOM 946 CE1 PHE A 65 -4.710 18.777 -5.421 1.00 2.45 C ATOM 947 CE2 PHE A 65 -5.198 18.040 -3.196 1.00 2.08 C ATOM 948 CZ PHE A 65 -5.544 18.122 -4.529 1.00 1.96 C ATOM 0 H PHE A 65 0.247 20.586 -2.008 1.00 1.97 H new ATOM 0 HA PHE A 65 -1.289 18.159 -1.958 1.00 1.80 H new ATOM 0 HB2 PHE A 65 -2.143 20.586 -2.313 1.00 2.04 H new ATOM 0 HB3 PHE A 65 -1.461 20.504 -3.925 1.00 2.04 H new ATOM 0 HD1 PHE A 65 -2.886 19.859 -5.673 1.00 2.40 H new ATOM 0 HD2 PHE A 65 -3.759 18.548 -1.724 1.00 2.11 H new ATOM 0 HE1 PHE A 65 -4.979 18.840 -6.465 1.00 2.45 H new ATOM 0 HE2 PHE A 65 -5.842 17.529 -2.496 1.00 2.08 H new ATOM 0 HZ PHE A 65 -6.464 17.676 -4.877 1.00 1.96 H new ATOM 958 N PRO A 66 0.710 18.598 -4.640 1.00 2.16 N ATOM 959 CA PRO A 66 1.238 17.911 -5.860 1.00 2.30 C ATOM 960 C PRO A 66 1.508 16.388 -5.765 1.00 2.09 C ATOM 961 O PRO A 66 0.946 15.624 -6.554 1.00 2.04 O ATOM 962 CB PRO A 66 2.538 18.668 -6.139 1.00 2.67 C ATOM 963 CG PRO A 66 2.271 20.046 -5.665 1.00 2.78 C ATOM 964 CD PRO A 66 1.419 19.894 -4.434 1.00 2.48 C ATOM 0 HA PRO A 66 0.481 17.944 -6.643 1.00 2.30 H new ATOM 0 HB2 PRO A 66 3.379 18.222 -5.609 1.00 2.67 H new ATOM 0 HB3 PRO A 66 2.786 18.654 -7.200 1.00 2.67 H new ATOM 0 HG2 PRO A 66 3.200 20.568 -5.436 1.00 2.78 H new ATOM 0 HG3 PRO A 66 1.756 20.630 -6.428 1.00 2.78 H new ATOM 0 HD2 PRO A 66 2.026 19.877 -3.529 1.00 2.48 H new ATOM 0 HD3 PRO A 66 0.716 20.721 -4.331 1.00 2.48 H new ATOM 972 N GLU A 67 2.364 15.951 -4.830 1.00 2.04 N ATOM 973 CA GLU A 67 2.711 14.528 -4.701 1.00 1.95 C ATOM 974 C GLU A 67 1.805 13.744 -3.778 1.00 1.60 C ATOM 975 O GLU A 67 1.821 12.508 -3.765 1.00 1.59 O ATOM 976 CB GLU A 67 4.186 14.342 -4.325 1.00 2.24 C ATOM 977 CG GLU A 67 5.167 14.649 -5.453 1.00 2.61 C ATOM 978 CD GLU A 67 5.415 16.136 -5.638 1.00 3.15 C ATOM 979 OE1 GLU A 67 4.861 16.715 -6.596 1.00 3.47 O ATOM 980 OE2 GLU A 67 6.161 16.719 -4.824 1.00 3.66 O ATOM 0 H GLU A 67 2.827 16.559 -4.155 1.00 2.04 H new ATOM 0 HA GLU A 67 2.547 14.104 -5.692 1.00 1.95 H new ATOM 0 HB2 GLU A 67 4.416 14.985 -3.475 1.00 2.24 H new ATOM 0 HB3 GLU A 67 4.338 13.314 -3.997 1.00 2.24 H new ATOM 0 HG2 GLU A 67 6.115 14.151 -5.248 1.00 2.61 H new ATOM 0 HG3 GLU A 67 4.783 14.232 -6.384 1.00 2.61 H new ATOM 987 N PHE A 68 1.030 14.473 -3.025 1.00 1.40 N ATOM 988 CA PHE A 68 0.079 13.900 -2.062 1.00 1.10 C ATOM 989 C PHE A 68 -0.998 13.068 -2.802 1.00 0.99 C ATOM 990 O PHE A 68 -1.500 12.086 -2.251 1.00 0.94 O ATOM 991 CB PHE A 68 -0.482 15.040 -1.182 1.00 1.04 C ATOM 992 CG PHE A 68 -1.691 14.754 -0.325 1.00 0.89 C ATOM 993 CD1 PHE A 68 -2.917 15.307 -0.663 1.00 1.36 C ATOM 994 CD2 PHE A 68 -1.598 14.006 0.849 1.00 1.60 C ATOM 995 CE1 PHE A 68 -4.023 15.134 0.144 1.00 1.57 C ATOM 996 CE2 PHE A 68 -2.701 13.825 1.645 1.00 1.57 C ATOM 997 CZ PHE A 68 -3.920 14.396 1.300 1.00 1.15 C ATOM 0 H PHE A 68 1.026 15.493 -3.049 1.00 1.40 H new ATOM 0 HA PHE A 68 0.569 13.196 -1.390 1.00 1.10 H new ATOM 0 HB2 PHE A 68 0.319 15.377 -0.524 1.00 1.04 H new ATOM 0 HB3 PHE A 68 -0.729 15.875 -1.838 1.00 1.04 H new ATOM 0 HD1 PHE A 68 -3.008 15.882 -1.572 1.00 1.36 H new ATOM 0 HD2 PHE A 68 -0.653 13.567 1.133 1.00 1.60 H new ATOM 0 HE1 PHE A 68 -4.968 15.578 -0.132 1.00 1.57 H new ATOM 0 HE2 PHE A 68 -2.621 13.235 2.546 1.00 1.57 H new ATOM 0 HZ PHE A 68 -4.782 14.261 1.936 1.00 1.15 H new ATOM 1007 N LEU A 69 -1.337 13.468 -4.054 1.00 1.15 N ATOM 1008 CA LEU A 69 -2.296 12.707 -4.893 1.00 1.24 C ATOM 1009 C LEU A 69 -1.599 11.548 -5.597 1.00 1.42 C ATOM 1010 O LEU A 69 -2.221 10.520 -5.875 1.00 1.53 O ATOM 1011 CB LEU A 69 -2.993 13.543 -5.977 1.00 1.51 C ATOM 1012 CG LEU A 69 -3.104 15.042 -5.751 1.00 1.59 C ATOM 1013 CD1 LEU A 69 -2.054 15.750 -6.570 1.00 1.82 C ATOM 1014 CD2 LEU A 69 -4.481 15.527 -6.147 1.00 1.76 C ATOM 0 H LEU A 69 -0.964 14.306 -4.501 1.00 1.15 H new ATOM 0 HA LEU A 69 -3.054 12.361 -4.190 1.00 1.24 H new ATOM 0 HB2 LEU A 69 -2.463 13.384 -6.916 1.00 1.51 H new ATOM 0 HB3 LEU A 69 -4.000 13.148 -6.109 1.00 1.51 H new ATOM 0 HG LEU A 69 -2.948 15.259 -4.694 1.00 1.59 H new ATOM 0 HD11 LEU A 69 -2.131 16.825 -6.410 1.00 1.82 H new ATOM 0 HD12 LEU A 69 -1.064 15.408 -6.267 1.00 1.82 H new ATOM 0 HD13 LEU A 69 -2.206 15.529 -7.626 1.00 1.82 H new ATOM 0 HD21 LEU A 69 -4.550 16.602 -5.981 1.00 1.76 H new ATOM 0 HD22 LEU A 69 -4.654 15.311 -7.201 1.00 1.76 H new ATOM 0 HD23 LEU A 69 -5.233 15.018 -5.544 1.00 1.76 H new ATOM 1026 N THR A 70 -0.303 11.738 -5.901 1.00 1.58 N ATOM 1027 CA THR A 70 0.509 10.719 -6.594 1.00 1.88 C ATOM 1028 C THR A 70 0.498 9.394 -5.822 1.00 1.87 C ATOM 1029 O THR A 70 0.364 8.319 -6.413 1.00 2.04 O ATOM 1030 CB THR A 70 1.973 11.194 -6.792 1.00 2.19 C ATOM 1031 OG1 THR A 70 2.011 12.614 -6.986 1.00 2.14 O ATOM 1032 CG2 THR A 70 2.621 10.513 -7.996 1.00 2.80 C ATOM 0 H THR A 70 0.208 12.592 -5.677 1.00 1.58 H new ATOM 0 HA THR A 70 0.061 10.565 -7.576 1.00 1.88 H new ATOM 0 HB THR A 70 2.529 10.925 -5.894 1.00 2.19 H new ATOM 0 HG1 THR A 70 2.898 12.876 -7.311 1.00 2.14 H new ATOM 0 HG21 THR A 70 3.646 10.868 -8.107 1.00 2.80 H new ATOM 0 HG22 THR A 70 2.625 9.434 -7.845 1.00 2.80 H new ATOM 0 HG23 THR A 70 2.055 10.751 -8.897 1.00 2.80 H new ATOM 1040 N MET A 71 0.643 9.502 -4.499 1.00 1.77 N ATOM 1041 CA MET A 71 0.630 8.344 -3.602 1.00 1.91 C ATOM 1042 C MET A 71 -0.801 7.894 -3.256 1.00 1.83 C ATOM 1043 O MET A 71 -1.011 6.738 -2.892 1.00 2.06 O ATOM 1044 CB MET A 71 1.428 8.642 -2.321 1.00 2.01 C ATOM 1045 CG MET A 71 1.059 9.942 -1.607 1.00 2.31 C ATOM 1046 SD MET A 71 2.346 10.478 -0.473 1.00 2.07 S ATOM 1047 CE MET A 71 1.585 10.140 1.108 1.00 1.57 C ATOM 0 H MET A 71 0.773 10.393 -4.020 1.00 1.77 H new ATOM 0 HA MET A 71 1.108 7.520 -4.132 1.00 1.91 H new ATOM 0 HB2 MET A 71 1.290 7.814 -1.626 1.00 2.01 H new ATOM 0 HB3 MET A 71 2.488 8.674 -2.573 1.00 2.01 H new ATOM 0 HG2 MET A 71 0.879 10.723 -2.346 1.00 2.31 H new ATOM 0 HG3 MET A 71 0.128 9.802 -1.058 1.00 2.31 H new ATOM 0 HE1 MET A 71 2.033 10.777 1.871 1.00 1.57 H new ATOM 0 HE2 MET A 71 0.516 10.342 1.048 1.00 1.57 H new ATOM 0 HE3 MET A 71 1.742 9.094 1.371 1.00 1.57 H new ATOM 1057 N MET A 72 -1.773 8.821 -3.392 1.00 1.61 N ATOM 1058 CA MET A 72 -3.200 8.572 -3.076 1.00 1.69 C ATOM 1059 C MET A 72 -3.725 7.223 -3.598 1.00 1.97 C ATOM 1060 O MET A 72 -4.514 6.564 -2.916 1.00 2.17 O ATOM 1061 CB MET A 72 -4.060 9.714 -3.622 1.00 1.60 C ATOM 1062 CG MET A 72 -4.220 10.877 -2.654 1.00 1.46 C ATOM 1063 SD MET A 72 -5.228 10.479 -1.218 1.00 1.69 S ATOM 1064 CE MET A 72 -5.618 12.133 -0.649 1.00 1.53 C ATOM 0 H MET A 72 -1.592 9.768 -3.725 1.00 1.61 H new ATOM 0 HA MET A 72 -3.271 8.527 -1.989 1.00 1.69 H new ATOM 0 HB2 MET A 72 -3.615 10.081 -4.547 1.00 1.60 H new ATOM 0 HB3 MET A 72 -5.046 9.325 -3.875 1.00 1.60 H new ATOM 0 HG2 MET A 72 -3.234 11.199 -2.319 1.00 1.46 H new ATOM 0 HG3 MET A 72 -4.668 11.719 -3.181 1.00 1.46 H new ATOM 0 HE1 MET A 72 -5.052 12.349 0.257 1.00 1.53 H new ATOM 0 HE2 MET A 72 -5.355 12.855 -1.422 1.00 1.53 H new ATOM 0 HE3 MET A 72 -6.685 12.202 -0.435 1.00 1.53 H new ATOM 1207 N SER A 81 -4.640 -3.988 -1.242 1.00 3.49 N ATOM 1208 CA SER A 81 -3.766 -5.093 -1.630 1.00 3.36 C ATOM 1209 C SER A 81 -2.857 -5.568 -0.496 1.00 2.88 C ATOM 1210 O SER A 81 -2.627 -6.770 -0.336 1.00 2.79 O ATOM 1211 CB SER A 81 -2.920 -4.697 -2.843 1.00 3.71 C ATOM 1212 OG SER A 81 -3.740 -4.371 -3.952 1.00 4.35 O ATOM 0 HA SER A 81 -4.418 -5.929 -1.885 1.00 3.36 H new ATOM 0 HB2 SER A 81 -2.291 -3.844 -2.589 1.00 3.71 H new ATOM 0 HB3 SER A 81 -2.253 -5.517 -3.109 1.00 3.71 H new ATOM 0 HG SER A 81 -4.551 -3.920 -3.638 1.00 4.35 H new ATOM 1218 N GLU A 82 -2.354 -4.612 0.278 1.00 2.97 N ATOM 1219 CA GLU A 82 -1.437 -4.892 1.398 1.00 3.25 C ATOM 1220 C GLU A 82 -2.169 -5.262 2.683 1.00 3.85 C ATOM 1221 O GLU A 82 -1.649 -6.012 3.512 1.00 4.27 O ATOM 1222 CB GLU A 82 -0.533 -3.687 1.660 1.00 3.94 C ATOM 1223 CG GLU A 82 0.479 -3.414 0.555 1.00 4.12 C ATOM 1224 CD GLU A 82 1.262 -2.136 0.783 1.00 4.93 C ATOM 1225 OE1 GLU A 82 0.864 -1.089 0.231 1.00 5.51 O ATOM 1226 OE2 GLU A 82 2.273 -2.182 1.514 1.00 5.25 O ATOM 0 H GLU A 82 -2.564 -3.622 0.154 1.00 2.97 H new ATOM 0 HA GLU A 82 -0.839 -5.753 1.100 1.00 3.25 H new ATOM 0 HB2 GLU A 82 -1.155 -2.802 1.794 1.00 3.94 H new ATOM 0 HB3 GLU A 82 0.002 -3.845 2.596 1.00 3.94 H new ATOM 0 HG2 GLU A 82 1.172 -4.253 0.487 1.00 4.12 H new ATOM 0 HG3 GLU A 82 -0.041 -3.351 -0.401 1.00 4.12 H new ATOM 1233 N GLU A 83 -3.362 -4.709 2.845 1.00 4.18 N ATOM 1234 CA GLU A 83 -4.201 -4.977 4.022 1.00 5.12 C ATOM 1235 C GLU A 83 -4.811 -6.385 3.951 1.00 5.33 C ATOM 1236 O GLU A 83 -5.176 -6.966 4.976 1.00 6.21 O ATOM 1237 CB GLU A 83 -5.314 -3.924 4.127 1.00 5.53 C ATOM 1238 CG GLU A 83 -5.747 -3.595 5.556 1.00 5.74 C ATOM 1239 CD GLU A 83 -6.669 -4.643 6.155 1.00 6.48 C ATOM 1240 OE1 GLU A 83 -6.180 -5.489 6.933 1.00 6.88 O ATOM 1241 OE2 GLU A 83 -7.879 -4.615 5.847 1.00 6.89 O ATOM 0 H GLU A 83 -3.781 -4.065 2.174 1.00 4.18 H new ATOM 0 HA GLU A 83 -3.572 -4.921 4.910 1.00 5.12 H new ATOM 0 HB2 GLU A 83 -4.976 -3.007 3.644 1.00 5.53 H new ATOM 0 HB3 GLU A 83 -6.183 -4.276 3.570 1.00 5.53 H new ATOM 0 HG2 GLU A 83 -4.862 -3.497 6.184 1.00 5.74 H new ATOM 0 HG3 GLU A 83 -6.252 -2.629 5.563 1.00 5.74 H new ATOM 1248 N GLU A 84 -4.905 -6.916 2.724 1.00 4.72 N ATOM 1249 CA GLU A 84 -5.465 -8.244 2.473 1.00 5.16 C ATOM 1250 C GLU A 84 -4.439 -9.374 2.650 1.00 4.87 C ATOM 1251 O GLU A 84 -4.809 -10.474 3.072 1.00 5.53 O ATOM 1252 CB GLU A 84 -6.065 -8.299 1.070 1.00 5.11 C ATOM 1253 CG GLU A 84 -7.481 -7.754 0.991 1.00 5.77 C ATOM 1254 CD GLU A 84 -8.110 -7.956 -0.374 1.00 6.38 C ATOM 1255 OE1 GLU A 84 -8.705 -9.030 -0.600 1.00 6.86 O ATOM 1256 OE2 GLU A 84 -8.008 -7.040 -1.217 1.00 6.68 O ATOM 0 H GLU A 84 -4.594 -6.434 1.880 1.00 4.72 H new ATOM 0 HA GLU A 84 -6.242 -8.405 3.220 1.00 5.16 H new ATOM 0 HB2 GLU A 84 -5.429 -7.733 0.390 1.00 5.11 H new ATOM 0 HB3 GLU A 84 -6.063 -9.332 0.723 1.00 5.11 H new ATOM 0 HG2 GLU A 84 -8.097 -8.243 1.746 1.00 5.77 H new ATOM 0 HG3 GLU A 84 -7.470 -6.690 1.228 1.00 5.77 H new ATOM 1263 N ILE A 85 -3.153 -9.109 2.332 1.00 3.98 N ATOM 1264 CA ILE A 85 -2.089 -10.128 2.450 1.00 3.69 C ATOM 1265 C ILE A 85 -1.857 -10.576 3.875 1.00 4.63 C ATOM 1266 O ILE A 85 -1.856 -11.775 4.158 1.00 5.03 O ATOM 1267 CB ILE A 85 -0.754 -9.709 1.779 1.00 2.77 C ATOM 1268 CG1 ILE A 85 -0.361 -8.256 2.088 1.00 3.16 C ATOM 1269 CG2 ILE A 85 -0.857 -9.907 0.275 1.00 1.99 C ATOM 1270 CD1 ILE A 85 0.806 -8.123 3.043 1.00 3.97 C ATOM 0 H ILE A 85 -2.829 -8.203 1.994 1.00 3.98 H new ATOM 0 HA ILE A 85 -2.469 -10.985 1.894 1.00 3.69 H new ATOM 0 HB ILE A 85 0.029 -10.344 2.193 1.00 2.77 H new ATOM 0 HG12 ILE A 85 -0.112 -7.751 1.154 1.00 3.16 H new ATOM 0 HG13 ILE A 85 -1.223 -7.739 2.510 1.00 3.16 H new ATOM 0 HG21 ILE A 85 0.081 -9.613 -0.196 1.00 1.99 H new ATOM 0 HG22 ILE A 85 -1.058 -10.956 0.059 1.00 1.99 H new ATOM 0 HG23 ILE A 85 -1.668 -9.294 -0.118 1.00 1.99 H new ATOM 0 HD11 ILE A 85 1.021 -7.068 3.210 1.00 3.97 H new ATOM 0 HD12 ILE A 85 0.555 -8.597 3.992 1.00 3.97 H new ATOM 0 HD13 ILE A 85 1.683 -8.609 2.616 1.00 3.97 H new ATOM 1282 N ARG A 86 -1.702 -9.617 4.769 1.00 5.19 N ATOM 1283 CA ARG A 86 -1.525 -9.910 6.198 1.00 6.32 C ATOM 1284 C ARG A 86 -2.692 -10.729 6.721 1.00 7.11 C ATOM 1285 O ARG A 86 -2.578 -11.431 7.731 1.00 7.98 O ATOM 1286 CB ARG A 86 -1.513 -8.634 7.013 1.00 6.99 C ATOM 1287 CG ARG A 86 -0.265 -8.453 7.860 1.00 7.36 C ATOM 1288 CD ARG A 86 -0.296 -7.140 8.625 1.00 8.25 C ATOM 1289 NE ARG A 86 0.916 -6.941 9.427 1.00 8.76 N ATOM 1290 CZ ARG A 86 1.215 -5.816 10.094 1.00 9.65 C ATOM 1291 NH1 ARG A 86 0.399 -4.764 10.070 1.00 10.08 N ATOM 1292 NH2 ARG A 86 2.342 -5.747 10.789 1.00 10.26 N ATOM 0 H ARG A 86 -1.694 -8.623 4.540 1.00 5.19 H new ATOM 0 HA ARG A 86 -0.582 -10.448 6.294 1.00 6.32 H new ATOM 0 HB2 ARG A 86 -1.608 -7.783 6.338 1.00 6.99 H new ATOM 0 HB3 ARG A 86 -2.387 -8.623 7.665 1.00 6.99 H new ATOM 0 HG2 ARG A 86 -0.177 -9.282 8.562 1.00 7.36 H new ATOM 0 HG3 ARG A 86 0.617 -8.482 7.221 1.00 7.36 H new ATOM 0 HD2 ARG A 86 -0.405 -6.314 7.922 1.00 8.25 H new ATOM 0 HD3 ARG A 86 -1.169 -7.121 9.277 1.00 8.25 H new ATOM 0 HE ARG A 86 1.579 -7.714 9.482 1.00 8.76 H new ATOM 0 HH11 ARG A 86 -0.470 -4.805 9.538 1.00 10.08 H new ATOM 0 HH12 ARG A 86 0.643 -3.917 10.583 1.00 10.08 H new ATOM 0 HH21 ARG A 86 2.975 -6.546 10.814 1.00 10.26 H new ATOM 0 HH22 ARG A 86 2.576 -4.895 11.298 1.00 10.26 H new ATOM 1306 N GLU A 87 -3.815 -10.621 6.003 1.00 6.95 N ATOM 1307 CA GLU A 87 -5.040 -11.286 6.401 1.00 7.91 C ATOM 1308 C GLU A 87 -5.118 -12.728 5.893 1.00 7.97 C ATOM 1309 O GLU A 87 -5.683 -13.603 6.555 1.00 8.94 O ATOM 1310 CB GLU A 87 -6.267 -10.498 5.931 1.00 8.02 C ATOM 1311 CG GLU A 87 -6.527 -9.229 6.729 1.00 8.75 C ATOM 1312 CD GLU A 87 -7.787 -8.510 6.286 1.00 9.11 C ATOM 1313 OE1 GLU A 87 -8.860 -8.784 6.863 1.00 9.62 O ATOM 1314 OE2 GLU A 87 -7.700 -7.674 5.362 1.00 9.05 O ATOM 0 H GLU A 87 -3.891 -10.077 5.144 1.00 6.95 H new ATOM 0 HA GLU A 87 -5.032 -11.323 7.490 1.00 7.91 H new ATOM 0 HB2 GLU A 87 -6.138 -10.235 4.881 1.00 8.02 H new ATOM 0 HB3 GLU A 87 -7.145 -11.141 5.993 1.00 8.02 H new ATOM 0 HG2 GLU A 87 -6.609 -9.480 7.787 1.00 8.75 H new ATOM 0 HG3 GLU A 87 -5.674 -8.558 6.625 1.00 8.75 H new ATOM 1321 N ALA A 88 -4.539 -12.945 4.711 1.00 7.00 N ATOM 1322 CA ALA A 88 -4.545 -14.252 4.042 1.00 7.06 C ATOM 1323 C ALA A 88 -3.433 -15.174 4.528 1.00 7.01 C ATOM 1324 O ALA A 88 -3.676 -16.328 4.844 1.00 7.73 O ATOM 1325 CB ALA A 88 -4.415 -14.074 2.552 1.00 6.21 C ATOM 0 H ALA A 88 -4.051 -12.219 4.187 1.00 7.00 H new ATOM 0 HA ALA A 88 -5.497 -14.720 4.291 1.00 7.06 H new ATOM 0 HB1 ALA A 88 -4.421 -15.050 2.067 1.00 6.21 H new ATOM 0 HB2 ALA A 88 -5.251 -13.480 2.182 1.00 6.21 H new ATOM 0 HB3 ALA A 88 -3.479 -13.563 2.327 1.00 6.21 H new ATOM 1331 N PHE A 89 -2.199 -14.677 4.496 1.00 6.21 N ATOM 1332 CA PHE A 89 -1.012 -15.414 4.966 1.00 6.21 C ATOM 1333 C PHE A 89 -1.198 -16.159 6.300 1.00 7.49 C ATOM 1334 O PHE A 89 -0.418 -17.057 6.619 1.00 7.70 O ATOM 1335 CB PHE A 89 0.159 -14.446 5.021 1.00 5.56 C ATOM 1336 CG PHE A 89 0.666 -14.162 3.652 1.00 4.24 C ATOM 1337 CD1 PHE A 89 1.743 -14.863 3.169 1.00 3.84 C ATOM 1338 CD2 PHE A 89 0.031 -13.240 2.825 1.00 3.79 C ATOM 1339 CE1 PHE A 89 2.185 -14.663 1.900 1.00 2.77 C ATOM 1340 CE2 PHE A 89 0.479 -13.024 1.556 1.00 2.72 C ATOM 1341 CZ PHE A 89 1.564 -13.746 1.091 1.00 1.93 C ATOM 0 H PHE A 89 -1.985 -13.745 4.142 1.00 6.21 H new ATOM 0 HA PHE A 89 -0.821 -16.214 4.250 1.00 6.21 H new ATOM 0 HB2 PHE A 89 -0.152 -13.517 5.500 1.00 5.56 H new ATOM 0 HB3 PHE A 89 0.958 -14.867 5.631 1.00 5.56 H new ATOM 0 HD1 PHE A 89 2.243 -15.580 3.803 1.00 3.84 H new ATOM 0 HD2 PHE A 89 -0.824 -12.691 3.192 1.00 3.79 H new ATOM 0 HE1 PHE A 89 3.027 -15.227 1.527 1.00 2.77 H new ATOM 0 HE2 PHE A 89 -0.007 -12.298 0.921 1.00 2.72 H new ATOM 0 HZ PHE A 89 1.924 -13.587 0.085 1.00 1.93 H new ATOM 1351 N ARG A 90 -2.226 -15.781 7.070 1.00 8.36 N ATOM 1352 CA ARG A 90 -2.538 -16.451 8.335 1.00 9.63 C ATOM 1353 C ARG A 90 -3.322 -17.754 8.083 1.00 10.20 C ATOM 1354 O ARG A 90 -3.479 -18.574 8.993 1.00 11.20 O ATOM 1355 CB ARG A 90 -3.343 -15.523 9.252 1.00 10.38 C ATOM 1356 CG ARG A 90 -2.517 -14.406 9.875 1.00 10.73 C ATOM 1357 CD ARG A 90 -3.354 -13.547 10.808 1.00 11.51 C ATOM 1358 NE ARG A 90 -2.563 -12.477 11.427 1.00 12.01 N ATOM 1359 CZ ARG A 90 -2.994 -11.684 12.419 1.00 12.77 C ATOM 1360 NH1 ARG A 90 -4.216 -11.821 12.930 1.00 13.10 N ATOM 1361 NH2 ARG A 90 -2.191 -10.746 12.903 1.00 13.29 N ATOM 0 H ARG A 90 -2.856 -15.013 6.837 1.00 8.36 H new ATOM 0 HA ARG A 90 -1.597 -16.700 8.826 1.00 9.63 H new ATOM 0 HB2 ARG A 90 -4.160 -15.083 8.681 1.00 10.38 H new ATOM 0 HB3 ARG A 90 -3.794 -16.116 10.048 1.00 10.38 H new ATOM 0 HG2 ARG A 90 -1.681 -14.835 10.427 1.00 10.73 H new ATOM 0 HG3 ARG A 90 -2.093 -13.783 9.087 1.00 10.73 H new ATOM 0 HD2 ARG A 90 -4.183 -13.110 10.252 1.00 11.51 H new ATOM 0 HD3 ARG A 90 -3.788 -14.174 11.587 1.00 11.51 H new ATOM 0 HE ARG A 90 -1.617 -12.325 11.077 1.00 12.01 H new ATOM 0 HH11 ARG A 90 -4.843 -12.539 12.567 1.00 13.10 H new ATOM 0 HH12 ARG A 90 -4.525 -11.208 13.684 1.00 13.10 H new ATOM 0 HH21 ARG A 90 -1.252 -10.631 12.521 1.00 13.29 H new ATOM 0 HH22 ARG A 90 -2.512 -10.139 13.657 1.00 13.29 H new ATOM 1375 N VAL A 91 -3.807 -17.928 6.836 1.00 9.66 N ATOM 1376 CA VAL A 91 -4.558 -19.089 6.432 1.00 10.29 C ATOM 1377 C VAL A 91 -3.687 -20.084 5.671 1.00 9.81 C ATOM 1378 O VAL A 91 -3.696 -21.286 5.952 1.00 10.52 O ATOM 1379 CB VAL A 91 -5.734 -18.733 5.502 1.00 10.33 C ATOM 1380 CG1 VAL A 91 -6.998 -19.485 5.895 1.00 11.64 C ATOM 1381 CG2 VAL A 91 -5.996 -17.238 5.413 1.00 9.85 C ATOM 0 H VAL A 91 -3.676 -17.247 6.088 1.00 9.66 H new ATOM 0 HA VAL A 91 -4.930 -19.524 7.360 1.00 10.29 H new ATOM 0 HB VAL A 91 -5.436 -19.054 4.504 1.00 10.33 H new ATOM 0 HG11 VAL A 91 -7.809 -19.212 5.220 1.00 11.64 H new ATOM 0 HG12 VAL A 91 -6.818 -20.558 5.830 1.00 11.64 H new ATOM 0 HG13 VAL A 91 -7.274 -19.224 6.917 1.00 11.64 H new ATOM 0 HG21 VAL A 91 -6.836 -17.055 4.743 1.00 9.85 H new ATOM 0 HG22 VAL A 91 -6.231 -16.850 6.404 1.00 9.85 H new ATOM 0 HG23 VAL A 91 -5.109 -16.735 5.028 1.00 9.85 H new ATOM 1391 N PHE A 92 -2.940 -19.547 4.705 1.00 8.63 N ATOM 1392 CA PHE A 92 -2.088 -20.349 3.815 1.00 8.08 C ATOM 1393 C PHE A 92 -0.702 -20.644 4.383 1.00 7.58 C ATOM 1394 O PHE A 92 -0.117 -21.682 4.062 1.00 7.57 O ATOM 1395 CB PHE A 92 -1.866 -19.599 2.505 1.00 7.14 C ATOM 1396 CG PHE A 92 -3.101 -19.229 1.734 1.00 7.60 C ATOM 1397 CD1 PHE A 92 -3.651 -20.114 0.824 1.00 7.95 C ATOM 1398 CD2 PHE A 92 -3.670 -17.969 1.872 1.00 7.88 C ATOM 1399 CE1 PHE A 92 -4.744 -19.755 0.064 1.00 8.45 C ATOM 1400 CE2 PHE A 92 -4.764 -17.607 1.117 1.00 8.39 C ATOM 1401 CZ PHE A 92 -5.300 -18.498 0.207 1.00 8.62 C ATOM 0 H PHE A 92 -2.906 -18.545 4.515 1.00 8.63 H new ATOM 0 HA PHE A 92 -2.618 -21.292 3.682 1.00 8.08 H new ATOM 0 HB2 PHE A 92 -1.312 -18.686 2.723 1.00 7.14 H new ATOM 0 HB3 PHE A 92 -1.232 -20.211 1.863 1.00 7.14 H new ATOM 0 HD1 PHE A 92 -3.219 -21.097 0.708 1.00 7.95 H new ATOM 0 HD2 PHE A 92 -3.251 -17.267 2.578 1.00 7.88 H new ATOM 0 HE1 PHE A 92 -5.165 -20.455 -0.642 1.00 8.45 H new ATOM 0 HE2 PHE A 92 -5.202 -16.627 1.236 1.00 8.39 H new ATOM 0 HZ PHE A 92 -6.152 -18.212 -0.392 1.00 8.62 H new ATOM 1411 N ALA A 93 -0.182 -19.743 5.214 1.00 7.32 N ATOM 1412 CA ALA A 93 1.141 -19.922 5.800 1.00 7.11 C ATOM 1413 C ALA A 93 1.032 -20.434 7.242 1.00 8.33 C ATOM 1414 O ALA A 93 -0.054 -20.396 7.831 1.00 8.83 O ATOM 1415 CB ALA A 93 1.950 -18.626 5.682 1.00 6.22 C ATOM 0 H ALA A 93 -0.656 -18.885 5.495 1.00 7.32 H new ATOM 0 HA ALA A 93 1.684 -20.687 5.245 1.00 7.11 H new ATOM 0 HB1 ALA A 93 2.936 -18.771 6.123 1.00 6.22 H new ATOM 0 HB2 ALA A 93 2.058 -18.359 4.631 1.00 6.22 H new ATOM 0 HB3 ALA A 93 1.432 -17.824 6.208 1.00 6.22 H new ATOM 1421 N LYS A 94 2.164 -20.927 7.803 1.00 8.92 N ATOM 1422 CA LYS A 94 2.231 -21.485 9.181 1.00 10.13 C ATOM 1423 C LYS A 94 1.520 -22.852 9.281 1.00 10.64 C ATOM 1424 O LYS A 94 0.739 -23.100 10.210 1.00 11.32 O ATOM 1425 CB LYS A 94 1.661 -20.491 10.226 1.00 10.90 C ATOM 1426 CG LYS A 94 2.669 -20.033 11.279 1.00 11.36 C ATOM 1427 CD LYS A 94 3.636 -18.976 10.740 1.00 11.16 C ATOM 1428 CE LYS A 94 5.050 -19.523 10.601 1.00 10.61 C ATOM 1429 NZ LYS A 94 5.691 -19.780 11.923 1.00 11.01 N ATOM 0 H LYS A 94 3.059 -20.950 7.314 1.00 8.92 H new ATOM 0 HA LYS A 94 3.286 -21.643 9.407 1.00 10.13 H new ATOM 0 HB2 LYS A 94 1.277 -19.615 9.704 1.00 10.90 H new ATOM 0 HB3 LYS A 94 0.815 -20.958 10.730 1.00 10.90 H new ATOM 0 HG2 LYS A 94 2.134 -19.628 12.138 1.00 11.36 H new ATOM 0 HG3 LYS A 94 3.236 -20.894 11.634 1.00 11.36 H new ATOM 0 HD2 LYS A 94 3.286 -18.623 9.770 1.00 11.16 H new ATOM 0 HD3 LYS A 94 3.643 -18.115 11.408 1.00 11.16 H new ATOM 0 HE2 LYS A 94 5.024 -20.449 10.026 1.00 10.61 H new ATOM 0 HE3 LYS A 94 5.657 -18.815 10.037 1.00 10.61 H new ATOM 0 HZ1 LYS A 94 6.646 -19.369 11.931 1.00 11.01 H new ATOM 0 HZ2 LYS A 94 5.120 -19.345 12.676 1.00 11.01 H new ATOM 0 HZ3 LYS A 94 5.754 -20.805 12.085 1.00 11.01 H new ATOM 1443 N ASP A 95 1.812 -23.737 8.318 1.00 10.41 N ATOM 1444 CA ASP A 95 1.213 -25.069 8.276 1.00 10.95 C ATOM 1445 C ASP A 95 2.182 -26.172 8.721 1.00 11.36 C ATOM 1446 O ASP A 95 1.982 -27.357 8.422 1.00 11.72 O ATOM 1447 CB ASP A 95 0.642 -25.362 6.881 1.00 10.75 C ATOM 1448 CG ASP A 95 -0.579 -24.519 6.560 1.00 10.79 C ATOM 1449 OD1 ASP A 95 -1.709 -25.000 6.787 1.00 11.08 O ATOM 1450 OD2 ASP A 95 -0.404 -23.379 6.082 1.00 10.72 O ATOM 0 H ASP A 95 2.463 -23.549 7.556 1.00 10.41 H new ATOM 0 HA ASP A 95 0.395 -25.071 8.996 1.00 10.95 H new ATOM 0 HB2 ASP A 95 1.412 -25.179 6.132 1.00 10.75 H new ATOM 0 HB3 ASP A 95 0.378 -26.417 6.815 1.00 10.75 H new ATOM 1455 N GLY A 96 3.209 -25.769 9.456 1.00 11.41 N ATOM 1456 CA GLY A 96 4.214 -26.711 9.947 1.00 11.89 C ATOM 1457 C GLY A 96 5.633 -26.272 9.676 1.00 11.67 C ATOM 1458 O GLY A 96 5.868 -25.411 8.823 1.00 11.82 O ATOM 0 H GLY A 96 3.371 -24.799 9.727 1.00 11.41 H new ATOM 0 HA2 GLY A 96 4.082 -26.844 11.021 1.00 11.89 H new ATOM 0 HA3 GLY A 96 4.048 -27.683 9.482 1.00 11.89 H new ATOM 1462 N ASN A 97 6.590 -26.899 10.406 1.00 11.48 N ATOM 1463 CA ASN A 97 8.045 -26.634 10.291 1.00 11.39 C ATOM 1464 C ASN A 97 8.453 -25.214 10.713 1.00 11.24 C ATOM 1465 O ASN A 97 9.559 -24.990 11.213 1.00 11.69 O ATOM 1466 CB ASN A 97 8.478 -26.920 8.867 1.00 10.47 C ATOM 1467 CG ASN A 97 9.734 -27.766 8.792 1.00 10.82 C ATOM 1468 OD1 ASN A 97 10.849 -27.251 8.845 1.00 11.12 O ATOM 1469 ND2 ASN A 97 9.557 -29.076 8.668 1.00 10.95 N ATOM 0 H ASN A 97 6.368 -27.613 11.100 1.00 11.48 H new ATOM 0 HA ASN A 97 8.556 -27.296 10.990 1.00 11.39 H new ATOM 0 HB2 ASN A 97 7.670 -27.430 8.342 1.00 10.47 H new ATOM 0 HB3 ASN A 97 8.649 -25.977 8.348 1.00 10.47 H new ATOM 0 HD21 ASN A 97 10.364 -29.697 8.613 1.00 10.95 H new ATOM 0 HD22 ASN A 97 8.614 -29.462 8.628 1.00 10.95 H new ATOM 1476 N GLY A 98 7.538 -24.291 10.496 1.00 10.71 N ATOM 1477 CA GLY A 98 7.714 -22.887 10.839 1.00 10.57 C ATOM 1478 C GLY A 98 7.874 -21.987 9.625 1.00 9.35 C ATOM 1479 O GLY A 98 7.729 -20.775 9.748 1.00 9.23 O ATOM 0 H GLY A 98 6.634 -24.495 10.069 1.00 10.71 H new ATOM 0 HA2 GLY A 98 6.855 -22.552 11.420 1.00 10.57 H new ATOM 0 HA3 GLY A 98 8.591 -22.783 11.478 1.00 10.57 H new ATOM 1483 N TYR A 99 8.167 -22.574 8.457 1.00 8.53 N ATOM 1484 CA TYR A 99 8.263 -21.825 7.214 1.00 7.35 C ATOM 1485 C TYR A 99 7.429 -22.516 6.132 1.00 6.60 C ATOM 1486 O TYR A 99 7.744 -23.642 5.734 1.00 6.68 O ATOM 1487 CB TYR A 99 9.725 -21.570 6.754 1.00 7.03 C ATOM 1488 CG TYR A 99 10.627 -22.777 6.515 1.00 7.42 C ATOM 1489 CD1 TYR A 99 11.433 -22.828 5.376 1.00 7.29 C ATOM 1490 CD2 TYR A 99 10.709 -23.835 7.420 1.00 8.16 C ATOM 1491 CE1 TYR A 99 12.283 -23.895 5.151 1.00 7.85 C ATOM 1492 CE2 TYR A 99 11.554 -24.904 7.193 1.00 8.71 C ATOM 1493 CZ TYR A 99 12.338 -24.929 6.061 1.00 8.53 C ATOM 1494 OH TYR A 99 13.184 -25.991 5.838 1.00 9.21 O ATOM 0 H TYR A 99 8.342 -23.574 8.355 1.00 8.53 H new ATOM 0 HA TYR A 99 7.854 -20.831 7.398 1.00 7.35 H new ATOM 0 HB2 TYR A 99 9.687 -20.994 5.829 1.00 7.03 H new ATOM 0 HB3 TYR A 99 10.204 -20.939 7.503 1.00 7.03 H new ATOM 0 HD1 TYR A 99 11.392 -22.021 4.659 1.00 7.29 H new ATOM 0 HD2 TYR A 99 10.102 -23.818 8.313 1.00 8.16 H new ATOM 0 HE1 TYR A 99 12.901 -23.918 4.266 1.00 7.85 H new ATOM 0 HE2 TYR A 99 11.600 -25.718 7.901 1.00 8.71 H new ATOM 0 HH TYR A 99 13.861 -25.737 5.176 1.00 9.21 H new ATOM 1504 N ILE A 100 6.364 -21.847 5.662 1.00 6.19 N ATOM 1505 CA ILE A 100 5.472 -22.414 4.633 1.00 5.73 C ATOM 1506 C ILE A 100 6.179 -22.526 3.270 1.00 4.64 C ATOM 1507 O ILE A 100 7.141 -21.805 3.005 1.00 4.17 O ATOM 1508 CB ILE A 100 4.146 -21.585 4.509 1.00 5.84 C ATOM 1509 CG1 ILE A 100 3.064 -22.355 3.721 1.00 5.96 C ATOM 1510 CG2 ILE A 100 4.389 -20.214 3.871 1.00 5.70 C ATOM 1511 CD1 ILE A 100 2.336 -23.411 4.533 1.00 6.65 C ATOM 0 H ILE A 100 6.098 -20.914 5.977 1.00 6.19 H new ATOM 0 HA ILE A 100 5.210 -23.422 4.953 1.00 5.73 H new ATOM 0 HB ILE A 100 3.783 -21.427 5.524 1.00 5.84 H new ATOM 0 HG12 ILE A 100 2.335 -21.642 3.336 1.00 5.96 H new ATOM 0 HG13 ILE A 100 3.529 -22.833 2.859 1.00 5.96 H new ATOM 0 HG21 ILE A 100 3.446 -19.672 3.803 1.00 5.70 H new ATOM 0 HG22 ILE A 100 5.090 -19.647 4.483 1.00 5.70 H new ATOM 0 HG23 ILE A 100 4.804 -20.346 2.872 1.00 5.70 H new ATOM 0 HD11 ILE A 100 1.594 -23.905 3.906 1.00 6.65 H new ATOM 0 HD12 ILE A 100 3.052 -24.148 4.896 1.00 6.65 H new ATOM 0 HD13 ILE A 100 1.839 -22.939 5.381 1.00 6.65 H new ATOM 1523 N SER A 101 5.680 -23.423 2.413 1.00 4.56 N ATOM 1524 CA SER A 101 6.261 -23.624 1.098 1.00 3.87 C ATOM 1525 C SER A 101 5.866 -22.530 0.122 1.00 3.18 C ATOM 1526 O SER A 101 4.761 -21.985 0.179 1.00 3.33 O ATOM 1527 CB SER A 101 5.916 -25.001 0.535 1.00 4.59 C ATOM 1528 OG SER A 101 4.515 -25.167 0.379 1.00 5.48 O ATOM 0 H SER A 101 4.875 -24.017 2.614 1.00 4.56 H new ATOM 0 HA SER A 101 7.342 -23.572 1.227 1.00 3.87 H new ATOM 0 HB2 SER A 101 6.408 -25.134 -0.428 1.00 4.59 H new ATOM 0 HB3 SER A 101 6.302 -25.774 1.200 1.00 4.59 H new ATOM 0 HG SER A 101 4.330 -26.058 0.015 1.00 5.48 H new ATOM 1534 N ALA A 102 6.807 -22.229 -0.774 1.00 2.74 N ATOM 1535 CA ALA A 102 6.641 -21.189 -1.806 1.00 2.63 C ATOM 1536 C ALA A 102 5.446 -21.427 -2.746 1.00 3.39 C ATOM 1537 O ALA A 102 4.995 -20.496 -3.414 1.00 3.61 O ATOM 1538 CB ALA A 102 7.914 -21.081 -2.625 1.00 3.06 C ATOM 0 H ALA A 102 7.712 -22.698 -0.809 1.00 2.74 H new ATOM 0 HA ALA A 102 6.435 -20.260 -1.275 1.00 2.63 H new ATOM 0 HB1 ALA A 102 7.792 -20.312 -3.388 1.00 3.06 H new ATOM 0 HB2 ALA A 102 8.745 -20.815 -1.972 1.00 3.06 H new ATOM 0 HB3 ALA A 102 8.121 -22.038 -3.104 1.00 3.06 H new ATOM 1544 N ALA A 103 4.935 -22.666 -2.774 1.00 4.09 N ATOM 1545 CA ALA A 103 3.808 -23.048 -3.642 1.00 5.20 C ATOM 1546 C ALA A 103 2.476 -22.380 -3.260 1.00 5.47 C ATOM 1547 O ALA A 103 1.562 -22.318 -4.087 1.00 6.33 O ATOM 1548 CB ALA A 103 3.646 -24.560 -3.638 1.00 5.96 C ATOM 0 H ALA A 103 5.289 -23.430 -2.198 1.00 4.09 H new ATOM 0 HA ALA A 103 4.055 -22.690 -4.642 1.00 5.20 H new ATOM 0 HB1 ALA A 103 2.811 -24.838 -4.281 1.00 5.96 H new ATOM 0 HB2 ALA A 103 4.560 -25.025 -4.008 1.00 5.96 H new ATOM 0 HB3 ALA A 103 3.451 -24.902 -2.622 1.00 5.96 H new ATOM 1554 N GLU A 104 2.371 -21.885 -2.017 1.00 4.91 N ATOM 1555 CA GLU A 104 1.135 -21.244 -1.536 1.00 5.33 C ATOM 1556 C GLU A 104 1.055 -19.759 -1.915 1.00 4.76 C ATOM 1557 O GLU A 104 -0.002 -19.293 -2.339 1.00 5.38 O ATOM 1558 CB GLU A 104 0.996 -21.397 -0.014 1.00 5.44 C ATOM 1559 CG GLU A 104 0.762 -22.831 0.458 1.00 6.31 C ATOM 1560 CD GLU A 104 -0.680 -23.280 0.301 1.00 6.92 C ATOM 1561 OE1 GLU A 104 -1.016 -23.838 -0.764 1.00 7.26 O ATOM 1562 OE2 GLU A 104 -1.473 -23.072 1.244 1.00 7.37 O ATOM 0 H GLU A 104 3.123 -21.915 -1.329 1.00 4.91 H new ATOM 0 HA GLU A 104 0.310 -21.757 -2.030 1.00 5.33 H new ATOM 0 HB2 GLU A 104 1.899 -21.014 0.461 1.00 5.44 H new ATOM 0 HB3 GLU A 104 0.168 -20.776 0.327 1.00 5.44 H new ATOM 0 HG2 GLU A 104 1.409 -23.503 -0.105 1.00 6.31 H new ATOM 0 HG3 GLU A 104 1.051 -22.914 1.506 1.00 6.31 H new ATOM 1569 N LEU A 105 2.169 -19.023 -1.734 1.00 3.64 N ATOM 1570 CA LEU A 105 2.270 -17.579 -2.047 1.00 3.09 C ATOM 1571 C LEU A 105 1.661 -17.168 -3.362 1.00 4.03 C ATOM 1572 O LEU A 105 0.916 -16.189 -3.424 1.00 4.13 O ATOM 1573 CB LEU A 105 3.734 -17.146 -2.086 1.00 2.35 C ATOM 1574 CG LEU A 105 4.605 -17.601 -0.906 1.00 1.65 C ATOM 1575 CD1 LEU A 105 6.079 -17.486 -1.248 1.00 2.00 C ATOM 1576 CD2 LEU A 105 4.271 -16.796 0.339 1.00 1.38 C ATOM 0 H LEU A 105 3.034 -19.416 -1.363 1.00 3.64 H new ATOM 0 HA LEU A 105 1.706 -17.094 -1.250 1.00 3.09 H new ATOM 0 HB2 LEU A 105 4.179 -17.524 -3.007 1.00 2.35 H new ATOM 0 HB3 LEU A 105 3.769 -16.058 -2.138 1.00 2.35 H new ATOM 0 HG LEU A 105 4.391 -18.650 -0.703 1.00 1.65 H new ATOM 0 HD11 LEU A 105 6.677 -17.814 -0.397 1.00 2.00 H new ATOM 0 HD12 LEU A 105 6.302 -18.113 -2.111 1.00 2.00 H new ATOM 0 HD13 LEU A 105 6.318 -16.449 -1.481 1.00 2.00 H new ATOM 0 HD21 LEU A 105 4.896 -17.130 1.167 1.00 1.38 H new ATOM 0 HD22 LEU A 105 4.455 -15.739 0.149 1.00 1.38 H new ATOM 0 HD23 LEU A 105 3.222 -16.941 0.596 1.00 1.38 H new ATOM 1588 N ARG A 106 1.998 -17.900 -4.410 1.00 4.83 N ATOM 1589 CA ARG A 106 1.493 -17.589 -5.741 1.00 5.95 C ATOM 1590 C ARG A 106 -0.012 -17.729 -5.782 1.00 6.65 C ATOM 1591 O ARG A 106 -0.679 -17.156 -6.631 1.00 7.39 O ATOM 1592 CB ARG A 106 2.118 -18.469 -6.824 1.00 6.81 C ATOM 1593 CG ARG A 106 3.640 -18.408 -6.897 1.00 6.46 C ATOM 1594 CD ARG A 106 4.260 -19.543 -6.121 1.00 5.99 C ATOM 1595 NE ARG A 106 4.203 -20.818 -6.849 1.00 6.40 N ATOM 1596 CZ ARG A 106 5.059 -21.836 -6.677 1.00 6.89 C ATOM 1597 NH1 ARG A 106 6.059 -21.756 -5.801 1.00 7.08 N ATOM 1598 NH2 ARG A 106 4.911 -22.943 -7.392 1.00 7.37 N ATOM 0 H ARG A 106 2.616 -18.710 -4.368 1.00 4.83 H new ATOM 0 HA ARG A 106 1.774 -16.557 -5.949 1.00 5.95 H new ATOM 0 HB2 ARG A 106 1.818 -19.502 -6.651 1.00 6.81 H new ATOM 0 HB3 ARG A 106 1.710 -18.176 -7.791 1.00 6.81 H new ATOM 0 HG2 ARG A 106 3.961 -18.455 -7.938 1.00 6.46 H new ATOM 0 HG3 ARG A 106 3.990 -17.456 -6.499 1.00 6.46 H new ATOM 0 HD2 ARG A 106 5.299 -19.302 -5.898 1.00 5.99 H new ATOM 0 HD3 ARG A 106 3.746 -19.650 -5.166 1.00 5.99 H new ATOM 0 HE ARG A 106 3.458 -20.938 -7.535 1.00 6.40 H new ATOM 0 HH11 ARG A 106 6.184 -20.909 -5.246 1.00 7.08 H new ATOM 0 HH12 ARG A 106 6.699 -22.541 -5.685 1.00 7.08 H new ATOM 0 HH21 ARG A 106 4.150 -23.016 -8.067 1.00 7.37 H new ATOM 0 HH22 ARG A 106 5.558 -23.721 -7.267 1.00 7.37 H new ATOM 1612 N HIS A 107 -0.509 -18.549 -4.877 1.00 6.60 N ATOM 1613 CA HIS A 107 -1.924 -18.748 -4.700 1.00 7.43 C ATOM 1614 C HIS A 107 -2.471 -17.714 -3.708 1.00 6.90 C ATOM 1615 O HIS A 107 -3.674 -17.461 -3.694 1.00 7.61 O ATOM 1616 CB HIS A 107 -2.226 -20.168 -4.213 1.00 8.00 C ATOM 1617 CG HIS A 107 -2.028 -21.220 -5.261 1.00 8.87 C ATOM 1618 ND1 HIS A 107 -0.899 -21.805 -5.727 1.00 9.79 N flip ATOM 1619 CD2 HIS A 107 -3.070 -21.793 -5.959 1.00 9.07 C flip ATOM 1620 CE1 HIS A 107 -1.278 -22.710 -6.688 1.00 10.41 C flip ATOM 1621 NE2 HIS A 107 -2.591 -22.685 -6.809 1.00 10.03 N flip ATOM 0 H HIS A 107 0.068 -19.099 -4.240 1.00 6.60 H new ATOM 0 HA HIS A 107 -2.415 -18.616 -5.664 1.00 7.43 H new ATOM 0 HB2 HIS A 107 -1.587 -20.393 -3.360 1.00 8.00 H new ATOM 0 HB3 HIS A 107 -3.256 -20.210 -3.859 1.00 8.00 H new ATOM 0 HD1 HIS A 107 0.054 -21.610 -5.421 1.00 9.79 H new ATOM 0 HD2 HIS A 107 -4.115 -21.551 -5.831 1.00 9.07 H new ATOM 0 HE1 HIS A 107 -0.608 -23.341 -7.254 1.00 10.41 H new ATOM 1630 N VAL A 108 -1.575 -17.123 -2.871 1.00 5.69 N ATOM 1631 CA VAL A 108 -1.983 -16.117 -1.894 1.00 5.20 C ATOM 1632 C VAL A 108 -2.013 -14.722 -2.494 1.00 4.84 C ATOM 1633 O VAL A 108 -3.078 -14.121 -2.593 1.00 5.36 O ATOM 1634 CB VAL A 108 -1.061 -16.125 -0.633 1.00 4.27 C ATOM 1635 CG1 VAL A 108 -1.534 -15.125 0.416 1.00 4.16 C ATOM 1636 CG2 VAL A 108 -0.929 -17.515 -0.038 1.00 4.80 C ATOM 0 H VAL A 108 -0.577 -17.334 -2.865 1.00 5.69 H new ATOM 0 HA VAL A 108 -2.995 -16.384 -1.588 1.00 5.20 H new ATOM 0 HB VAL A 108 -0.070 -15.815 -0.965 1.00 4.27 H new ATOM 0 HG11 VAL A 108 -0.868 -15.160 1.278 1.00 4.16 H new ATOM 0 HG12 VAL A 108 -1.526 -14.121 -0.009 1.00 4.16 H new ATOM 0 HG13 VAL A 108 -2.547 -15.378 0.730 1.00 4.16 H new ATOM 0 HG21 VAL A 108 -0.280 -17.476 0.837 1.00 4.80 H new ATOM 0 HG22 VAL A 108 -1.913 -17.880 0.256 1.00 4.80 H new ATOM 0 HG23 VAL A 108 -0.499 -18.189 -0.779 1.00 4.80 H new ATOM 1646 N MET A 109 -0.847 -14.219 -2.888 1.00 4.11 N ATOM 1647 CA MET A 109 -0.746 -12.897 -3.521 1.00 4.08 C ATOM 1648 C MET A 109 -1.708 -12.798 -4.699 1.00 5.33 C ATOM 1649 O MET A 109 -2.279 -11.733 -4.953 1.00 5.53 O ATOM 1650 CB MET A 109 0.687 -12.600 -3.931 1.00 3.81 C ATOM 1651 CG MET A 109 1.521 -12.093 -2.756 1.00 2.70 C ATOM 1652 SD MET A 109 3.121 -11.429 -3.246 1.00 3.27 S ATOM 1653 CE MET A 109 3.998 -12.937 -3.620 1.00 3.46 C ATOM 0 H MET A 109 0.045 -14.703 -2.782 1.00 4.11 H new ATOM 0 HA MET A 109 -1.035 -12.138 -2.794 1.00 4.08 H new ATOM 0 HB2 MET A 109 1.143 -13.503 -4.337 1.00 3.81 H new ATOM 0 HB3 MET A 109 0.690 -11.855 -4.727 1.00 3.81 H new ATOM 0 HG2 MET A 109 0.961 -11.320 -2.230 1.00 2.70 H new ATOM 0 HG3 MET A 109 1.676 -12.910 -2.051 1.00 2.70 H new ATOM 0 HE1 MET A 109 4.752 -13.119 -2.854 1.00 3.46 H new ATOM 0 HE2 MET A 109 3.296 -13.770 -3.642 1.00 3.46 H new ATOM 0 HE3 MET A 109 4.482 -12.845 -4.592 1.00 3.46 H new ATOM 1663 N THR A 110 -1.877 -13.922 -5.418 1.00 6.20 N ATOM 1664 CA THR A 110 -2.866 -13.996 -6.497 1.00 7.45 C ATOM 1665 C THR A 110 -4.295 -14.015 -5.904 1.00 7.80 C ATOM 1666 O THR A 110 -5.228 -13.509 -6.532 1.00 8.54 O ATOM 1667 CB THR A 110 -2.646 -15.245 -7.372 1.00 8.32 C ATOM 1668 OG1 THR A 110 -1.309 -15.231 -7.886 1.00 8.16 O ATOM 1669 CG2 THR A 110 -3.622 -15.319 -8.548 1.00 9.65 C ATOM 0 H THR A 110 -1.346 -14.780 -5.271 1.00 6.20 H new ATOM 0 HA THR A 110 -2.745 -13.114 -7.127 1.00 7.45 H new ATOM 0 HB THR A 110 -2.818 -16.116 -6.740 1.00 8.32 H new ATOM 0 HG1 THR A 110 -0.744 -15.821 -7.344 1.00 8.16 H new ATOM 0 HG21 THR A 110 -3.422 -16.218 -9.131 1.00 9.65 H new ATOM 0 HG22 THR A 110 -4.644 -15.351 -8.171 1.00 9.65 H new ATOM 0 HG23 THR A 110 -3.496 -14.441 -9.181 1.00 9.65 H new ATOM 1677 N ASN A 111 -4.458 -14.611 -4.693 1.00 7.42 N ATOM 1678 CA ASN A 111 -5.773 -14.663 -4.021 1.00 8.00 C ATOM 1679 C ASN A 111 -6.272 -13.258 -3.623 1.00 7.57 C ATOM 1680 O ASN A 111 -7.452 -12.948 -3.809 1.00 8.26 O ATOM 1681 CB ASN A 111 -5.713 -15.563 -2.780 1.00 7.98 C ATOM 1682 CG ASN A 111 -7.055 -16.190 -2.442 1.00 9.16 C ATOM 1683 OD1 ASN A 111 -7.841 -15.630 -1.679 1.00 9.84 O ATOM 1684 ND2 ASN A 111 -7.321 -17.360 -3.012 1.00 9.58 N ATOM 0 H ASN A 111 -3.702 -15.055 -4.172 1.00 7.42 H new ATOM 0 HA ASN A 111 -6.481 -15.082 -4.736 1.00 8.00 H new ATOM 0 HB2 ASN A 111 -4.979 -16.352 -2.944 1.00 7.98 H new ATOM 0 HB3 ASN A 111 -5.366 -14.978 -1.929 1.00 7.98 H new ATOM 0 HD21 ASN A 111 -8.206 -17.830 -2.823 1.00 9.58 H new ATOM 0 HD22 ASN A 111 -6.640 -17.789 -3.639 1.00 9.58 H new ATOM 1691 N LEU A 112 -5.369 -12.418 -3.076 1.00 6.48 N ATOM 1692 CA LEU A 112 -5.720 -11.055 -2.663 1.00 6.02 C ATOM 1693 C LEU A 112 -5.729 -10.096 -3.851 1.00 6.50 C ATOM 1694 O LEU A 112 -6.680 -9.329 -4.031 1.00 6.87 O ATOM 1695 CB LEU A 112 -4.764 -10.506 -1.576 1.00 4.81 C ATOM 1696 CG LEU A 112 -4.632 -11.297 -0.249 1.00 4.44 C ATOM 1697 CD1 LEU A 112 -5.983 -11.717 0.331 1.00 4.55 C ATOM 1698 CD2 LEU A 112 -3.734 -12.509 -0.433 1.00 4.77 C ATOM 0 H LEU A 112 -4.393 -12.665 -2.913 1.00 6.48 H new ATOM 0 HA LEU A 112 -6.723 -11.118 -2.241 1.00 6.02 H new ATOM 0 HB2 LEU A 112 -3.770 -10.426 -2.016 1.00 4.81 H new ATOM 0 HB3 LEU A 112 -5.086 -9.494 -1.330 1.00 4.81 H new ATOM 0 HG LEU A 112 -4.176 -10.619 0.472 1.00 4.44 H new ATOM 0 HD11 LEU A 112 -5.826 -12.267 1.259 1.00 4.55 H new ATOM 0 HD12 LEU A 112 -6.584 -10.830 0.532 1.00 4.55 H new ATOM 0 HD13 LEU A 112 -6.504 -12.354 -0.384 1.00 4.55 H new ATOM 0 HD21 LEU A 112 -3.655 -13.050 0.510 1.00 4.77 H new ATOM 0 HD22 LEU A 112 -4.159 -13.165 -1.193 1.00 4.77 H new ATOM 0 HD23 LEU A 112 -2.743 -12.183 -0.748 1.00 4.77 H new ATOM 1710 N GLY A 113 -4.659 -10.153 -4.652 1.00 6.67 N ATOM 1711 CA GLY A 113 -4.536 -9.292 -5.820 1.00 7.40 C ATOM 1712 C GLY A 113 -5.110 -9.911 -7.076 1.00 8.34 C ATOM 1713 O GLY A 113 -4.839 -11.075 -7.382 1.00 8.64 O ATOM 0 H GLY A 113 -3.872 -10.786 -4.509 1.00 6.67 H new ATOM 0 HA2 GLY A 113 -5.043 -8.348 -5.623 1.00 7.40 H new ATOM 0 HA3 GLY A 113 -3.484 -9.060 -5.984 1.00 7.40 H new ATOM 1717 N GLU A 114 -5.901 -9.118 -7.804 1.00 8.94 N ATOM 1718 CA GLU A 114 -6.535 -9.562 -9.051 1.00 10.00 C ATOM 1719 C GLU A 114 -5.603 -9.373 -10.242 1.00 10.47 C ATOM 1720 O GLU A 114 -5.662 -10.125 -11.219 1.00 11.33 O ATOM 1721 CB GLU A 114 -7.833 -8.791 -9.292 1.00 10.43 C ATOM 1722 CG GLU A 114 -8.965 -9.170 -8.347 1.00 10.39 C ATOM 1723 CD GLU A 114 -10.235 -8.387 -8.615 1.00 11.02 C ATOM 1724 OE1 GLU A 114 -10.405 -7.307 -8.011 1.00 11.20 O ATOM 1725 OE2 GLU A 114 -11.059 -8.854 -9.429 1.00 11.47 O ATOM 0 H GLU A 114 -6.120 -8.155 -7.549 1.00 8.94 H new ATOM 0 HA GLU A 114 -6.757 -10.624 -8.949 1.00 10.00 H new ATOM 0 HB2 GLU A 114 -7.633 -7.724 -9.193 1.00 10.43 H new ATOM 0 HB3 GLU A 114 -8.159 -8.960 -10.318 1.00 10.43 H new ATOM 0 HG2 GLU A 114 -9.172 -10.236 -8.444 1.00 10.39 H new ATOM 0 HG3 GLU A 114 -8.647 -8.999 -7.318 1.00 10.39 H new ATOM 1732 N LYS A 115 -4.752 -8.358 -10.136 1.00 10.04 N ATOM 1733 CA LYS A 115 -3.778 -8.023 -11.179 1.00 10.61 C ATOM 1734 C LYS A 115 -2.446 -8.708 -10.937 1.00 10.14 C ATOM 1735 O LYS A 115 -1.730 -9.077 -11.873 1.00 10.70 O ATOM 1736 CB LYS A 115 -3.559 -6.505 -11.247 1.00 11.03 C ATOM 1737 CG LYS A 115 -3.224 -5.892 -9.882 1.00 10.36 C ATOM 1738 CD LYS A 115 -4.277 -4.881 -9.426 1.00 10.71 C ATOM 1739 CE LYS A 115 -5.579 -5.563 -9.015 1.00 10.61 C ATOM 1740 NZ LYS A 115 -6.703 -4.593 -8.889 1.00 10.83 N ATOM 0 H LYS A 115 -4.715 -7.741 -9.325 1.00 10.04 H new ATOM 0 HA LYS A 115 -4.186 -8.377 -12.126 1.00 10.61 H new ATOM 0 HB2 LYS A 115 -2.750 -6.290 -11.945 1.00 11.03 H new ATOM 0 HB3 LYS A 115 -4.457 -6.030 -11.643 1.00 11.03 H new ATOM 0 HG2 LYS A 115 -3.141 -6.686 -9.140 1.00 10.36 H new ATOM 0 HG3 LYS A 115 -2.252 -5.402 -9.935 1.00 10.36 H new ATOM 0 HD2 LYS A 115 -3.888 -4.305 -8.586 1.00 10.71 H new ATOM 0 HD3 LYS A 115 -4.476 -4.175 -10.232 1.00 10.71 H new ATOM 0 HE2 LYS A 115 -5.838 -6.324 -9.752 1.00 10.61 H new ATOM 0 HE3 LYS A 115 -5.435 -6.076 -8.064 1.00 10.61 H new ATOM 0 HZ1 LYS A 115 -7.568 -5.098 -8.608 1.00 10.83 H new ATOM 0 HZ2 LYS A 115 -6.468 -3.881 -8.168 1.00 10.83 H new ATOM 0 HZ3 LYS A 115 -6.859 -4.121 -9.803 1.00 10.83 H new ATOM 1754 N LEU A 116 -2.146 -8.861 -9.658 1.00 9.19 N ATOM 1755 CA LEU A 116 -0.909 -9.457 -9.190 1.00 8.69 C ATOM 1756 C LEU A 116 -0.796 -10.936 -9.588 1.00 9.07 C ATOM 1757 O LEU A 116 -1.630 -11.760 -9.194 1.00 9.05 O ATOM 1758 CB LEU A 116 -0.844 -9.317 -7.678 1.00 7.40 C ATOM 1759 CG LEU A 116 -0.608 -7.893 -7.141 1.00 6.84 C ATOM 1760 CD1 LEU A 116 -1.218 -7.731 -5.755 1.00 6.44 C ATOM 1761 CD2 LEU A 116 0.878 -7.563 -7.095 1.00 6.43 C ATOM 0 H LEU A 116 -2.767 -8.569 -8.904 1.00 9.19 H new ATOM 0 HA LEU A 116 -0.074 -8.935 -9.658 1.00 8.69 H new ATOM 0 HB2 LEU A 116 -1.777 -9.692 -7.258 1.00 7.40 H new ATOM 0 HB3 LEU A 116 -0.046 -9.960 -7.307 1.00 7.40 H new ATOM 0 HG LEU A 116 -1.096 -7.198 -7.825 1.00 6.84 H new ATOM 0 HD11 LEU A 116 -1.039 -6.718 -5.395 1.00 6.44 H new ATOM 0 HD12 LEU A 116 -2.291 -7.914 -5.806 1.00 6.44 H new ATOM 0 HD13 LEU A 116 -0.760 -8.445 -5.070 1.00 6.44 H new ATOM 0 HD21 LEU A 116 1.014 -6.552 -6.712 1.00 6.43 H new ATOM 0 HD22 LEU A 116 1.388 -8.271 -6.441 1.00 6.43 H new ATOM 0 HD23 LEU A 116 1.297 -7.630 -8.099 1.00 6.43 H new ATOM 1773 N THR A 117 0.231 -11.251 -10.378 1.00 9.56 N ATOM 1774 CA THR A 117 0.464 -12.602 -10.850 1.00 10.01 C ATOM 1775 C THR A 117 1.564 -13.328 -10.118 1.00 9.24 C ATOM 1776 O THR A 117 2.118 -12.863 -9.124 1.00 8.29 O ATOM 1777 CB THR A 117 0.819 -12.661 -12.345 1.00 11.26 C ATOM 1778 OG1 THR A 117 1.736 -11.614 -12.690 1.00 11.46 O ATOM 1779 CG2 THR A 117 -0.432 -12.552 -13.163 1.00 12.18 C ATOM 0 H THR A 117 0.920 -10.573 -10.704 1.00 9.56 H new ATOM 0 HA THR A 117 -0.490 -13.093 -10.658 1.00 10.01 H new ATOM 0 HB THR A 117 1.302 -13.615 -12.556 1.00 11.26 H new ATOM 0 HG1 THR A 117 1.951 -11.669 -13.644 1.00 11.46 H new ATOM 0 HG21 THR A 117 -0.179 -12.594 -14.222 1.00 12.18 H new ATOM 0 HG22 THR A 117 -1.101 -13.377 -12.917 1.00 12.18 H new ATOM 0 HG23 THR A 117 -0.928 -11.606 -12.946 1.00 12.18 H new ATOM 1787 N ASP A 118 1.816 -14.515 -10.649 1.00 9.74 N ATOM 1788 CA ASP A 118 2.845 -15.429 -10.194 1.00 9.28 C ATOM 1789 C ASP A 118 4.239 -14.894 -10.451 1.00 9.42 C ATOM 1790 O ASP A 118 5.177 -15.198 -9.708 1.00 8.80 O ATOM 1791 CB ASP A 118 2.641 -16.726 -10.947 1.00 10.08 C ATOM 1792 CG ASP A 118 1.687 -17.675 -10.247 1.00 9.81 C ATOM 1793 OD1 ASP A 118 0.500 -17.320 -10.094 1.00 9.86 O ATOM 1794 OD2 ASP A 118 2.127 -18.778 -9.860 1.00 9.76 O ATOM 0 H ASP A 118 1.286 -14.880 -11.441 1.00 9.74 H new ATOM 0 HA ASP A 118 2.762 -15.568 -9.116 1.00 9.28 H new ATOM 0 HB2 ASP A 118 2.258 -16.505 -11.943 1.00 10.08 H new ATOM 0 HB3 ASP A 118 3.604 -17.219 -11.078 1.00 10.08 H new ATOM 1799 N GLU A 119 4.361 -14.095 -11.509 1.00 10.37 N ATOM 1800 CA GLU A 119 5.629 -13.467 -11.861 1.00 10.83 C ATOM 1801 C GLU A 119 6.007 -12.454 -10.797 1.00 10.04 C ATOM 1802 O GLU A 119 7.172 -12.078 -10.668 1.00 10.27 O ATOM 1803 CB GLU A 119 5.578 -12.818 -13.248 1.00 12.10 C ATOM 1804 CG GLU A 119 5.552 -13.818 -14.395 1.00 13.08 C ATOM 1805 CD GLU A 119 5.500 -13.145 -15.753 1.00 14.16 C ATOM 1806 OE1 GLU A 119 4.381 -12.893 -16.248 1.00 14.50 O ATOM 1807 OE2 GLU A 119 6.578 -12.871 -16.321 1.00 14.78 O ATOM 0 H GLU A 119 3.592 -13.867 -12.139 1.00 10.37 H new ATOM 0 HA GLU A 119 6.395 -14.241 -11.905 1.00 10.83 H new ATOM 0 HB2 GLU A 119 4.693 -12.185 -13.310 1.00 12.10 H new ATOM 0 HB3 GLU A 119 6.444 -12.167 -13.366 1.00 12.10 H new ATOM 0 HG2 GLU A 119 6.438 -14.451 -14.341 1.00 13.08 H new ATOM 0 HG3 GLU A 119 4.686 -14.471 -14.284 1.00 13.08 H new ATOM 1814 N GLU A 120 4.988 -12.019 -10.039 1.00 9.24 N ATOM 1815 CA GLU A 120 5.187 -11.134 -8.899 1.00 8.40 C ATOM 1816 C GLU A 120 5.967 -11.936 -7.875 1.00 7.57 C ATOM 1817 O GLU A 120 6.955 -11.463 -7.323 1.00 7.44 O ATOM 1818 CB GLU A 120 3.843 -10.670 -8.301 1.00 7.71 C ATOM 1819 CG GLU A 120 3.924 -9.457 -7.371 1.00 7.14 C ATOM 1820 CD GLU A 120 4.348 -8.176 -8.075 1.00 8.10 C ATOM 1821 OE1 GLU A 120 3.487 -7.536 -8.714 1.00 8.52 O ATOM 1822 OE2 GLU A 120 5.541 -7.816 -7.983 1.00 8.58 O ATOM 0 H GLU A 120 4.014 -12.273 -10.204 1.00 9.24 H new ATOM 0 HA GLU A 120 5.720 -10.232 -9.202 1.00 8.40 H new ATOM 0 HB2 GLU A 120 3.162 -10.435 -9.119 1.00 7.71 H new ATOM 0 HB3 GLU A 120 3.403 -11.501 -7.749 1.00 7.71 H new ATOM 0 HG2 GLU A 120 2.951 -9.301 -6.906 1.00 7.14 H new ATOM 0 HG3 GLU A 120 4.630 -9.671 -6.569 1.00 7.14 H new ATOM 1829 N VAL A 121 5.548 -13.204 -7.695 1.00 7.19 N ATOM 1830 CA VAL A 121 6.192 -14.097 -6.777 1.00 6.42 C ATOM 1831 C VAL A 121 7.595 -14.454 -7.264 1.00 7.15 C ATOM 1832 O VAL A 121 8.569 -14.259 -6.541 1.00 6.95 O ATOM 1833 CB VAL A 121 5.326 -15.362 -6.588 1.00 5.97 C ATOM 1834 CG1 VAL A 121 5.851 -16.187 -5.449 1.00 5.00 C ATOM 1835 CG2 VAL A 121 3.862 -15.000 -6.345 1.00 5.72 C ATOM 0 H VAL A 121 4.756 -13.614 -8.190 1.00 7.19 H new ATOM 0 HA VAL A 121 6.297 -13.601 -5.812 1.00 6.42 H new ATOM 0 HB VAL A 121 5.381 -15.947 -7.506 1.00 5.97 H new ATOM 0 HG11 VAL A 121 5.231 -17.075 -5.327 1.00 5.00 H new ATOM 0 HG12 VAL A 121 6.878 -16.487 -5.660 1.00 5.00 H new ATOM 0 HG13 VAL A 121 5.826 -15.599 -4.532 1.00 5.00 H new ATOM 0 HG21 VAL A 121 3.278 -15.912 -6.216 1.00 5.72 H new ATOM 0 HG22 VAL A 121 3.783 -14.388 -5.446 1.00 5.72 H new ATOM 0 HG23 VAL A 121 3.479 -14.442 -7.199 1.00 5.72 H new ATOM 1845 N ASP A 122 7.677 -14.914 -8.516 1.00 8.17 N ATOM 1846 CA ASP A 122 8.958 -15.301 -9.147 1.00 9.00 C ATOM 1847 C ASP A 122 9.948 -14.131 -9.153 1.00 9.58 C ATOM 1848 O ASP A 122 11.161 -14.339 -9.201 1.00 10.07 O ATOM 1849 CB ASP A 122 8.715 -15.803 -10.576 1.00 10.08 C ATOM 1850 CG ASP A 122 9.788 -16.767 -11.052 1.00 9.97 C ATOM 1851 OD1 ASP A 122 9.628 -17.987 -10.836 1.00 10.09 O ATOM 1852 OD2 ASP A 122 10.786 -16.301 -11.641 1.00 9.98 O ATOM 0 H ASP A 122 6.866 -15.031 -9.124 1.00 8.17 H new ATOM 0 HA ASP A 122 9.395 -16.108 -8.559 1.00 9.00 H new ATOM 0 HB2 ASP A 122 7.744 -16.296 -10.623 1.00 10.08 H new ATOM 0 HB3 ASP A 122 8.673 -14.950 -11.254 1.00 10.08 H new ATOM 1857 N GLU A 123 9.401 -12.910 -9.095 1.00 9.61 N ATOM 1858 CA GLU A 123 10.194 -11.676 -9.064 1.00 10.24 C ATOM 1859 C GLU A 123 10.869 -11.508 -7.695 1.00 9.65 C ATOM 1860 O GLU A 123 12.038 -11.118 -7.621 1.00 10.36 O ATOM 1861 CB GLU A 123 9.311 -10.460 -9.369 1.00 10.45 C ATOM 1862 CG GLU A 123 10.028 -9.357 -10.136 1.00 11.70 C ATOM 1863 CD GLU A 123 9.105 -8.216 -10.518 1.00 11.94 C ATOM 1864 OE1 GLU A 123 8.375 -8.355 -11.522 1.00 12.02 O ATOM 1865 OE2 GLU A 123 9.113 -7.184 -9.815 1.00 12.16 O ATOM 0 H GLU A 123 8.394 -12.751 -9.068 1.00 9.61 H new ATOM 0 HA GLU A 123 10.966 -11.746 -9.830 1.00 10.24 H new ATOM 0 HB2 GLU A 123 8.445 -10.787 -9.945 1.00 10.45 H new ATOM 0 HB3 GLU A 123 8.934 -10.052 -8.431 1.00 10.45 H new ATOM 0 HG2 GLU A 123 10.846 -8.970 -9.528 1.00 11.70 H new ATOM 0 HG3 GLU A 123 10.473 -9.777 -11.038 1.00 11.70 H new ATOM 1872 N MET A 124 10.118 -11.806 -6.615 1.00 8.45 N ATOM 1873 CA MET A 124 10.656 -11.713 -5.245 1.00 7.91 C ATOM 1874 C MET A 124 11.364 -12.984 -4.828 1.00 7.70 C ATOM 1875 O MET A 124 12.159 -12.975 -3.882 1.00 7.76 O ATOM 1876 CB MET A 124 9.608 -11.314 -4.190 1.00 6.78 C ATOM 1877 CG MET A 124 8.221 -11.924 -4.369 1.00 6.98 C ATOM 1878 SD MET A 124 6.901 -10.748 -4.018 1.00 6.62 S ATOM 1879 CE MET A 124 7.071 -9.626 -5.404 1.00 7.40 C ATOM 0 H MET A 124 9.146 -12.110 -6.665 1.00 8.45 H new ATOM 0 HA MET A 124 11.384 -10.902 -5.285 1.00 7.91 H new ATOM 0 HB2 MET A 124 9.984 -11.596 -3.207 1.00 6.78 H new ATOM 0 HB3 MET A 124 9.510 -10.228 -4.195 1.00 6.78 H new ATOM 0 HG2 MET A 124 8.117 -12.288 -5.391 1.00 6.98 H new ATOM 0 HG3 MET A 124 8.119 -12.787 -3.711 1.00 6.98 H new ATOM 0 HE1 MET A 124 7.299 -8.625 -5.036 1.00 7.40 H new ATOM 0 HE2 MET A 124 7.879 -9.967 -6.051 1.00 7.40 H new ATOM 0 HE3 MET A 124 6.139 -9.602 -5.969 1.00 7.40 H new ATOM 1889 N ILE A 125 11.076 -14.075 -5.535 1.00 7.60 N ATOM 1890 CA ILE A 125 11.692 -15.354 -5.251 1.00 7.41 C ATOM 1891 C ILE A 125 13.202 -15.323 -5.472 1.00 8.49 C ATOM 1892 O ILE A 125 13.962 -15.811 -4.640 1.00 8.45 O ATOM 1893 CB ILE A 125 11.057 -16.484 -6.055 1.00 7.24 C ATOM 1894 CG1 ILE A 125 9.613 -16.692 -5.612 1.00 6.16 C ATOM 1895 CG2 ILE A 125 11.857 -17.719 -5.812 1.00 7.27 C ATOM 1896 CD1 ILE A 125 8.805 -17.540 -6.537 1.00 6.48 C ATOM 0 H ILE A 125 10.415 -14.090 -6.312 1.00 7.60 H new ATOM 0 HA ILE A 125 11.513 -15.552 -4.194 1.00 7.41 H new ATOM 0 HB ILE A 125 11.051 -16.242 -7.118 1.00 7.24 H new ATOM 0 HG12 ILE A 125 9.611 -17.149 -4.623 1.00 6.16 H new ATOM 0 HG13 ILE A 125 9.131 -15.719 -5.515 1.00 6.16 H new ATOM 0 HG21 ILE A 125 11.427 -18.548 -6.375 1.00 7.27 H new ATOM 0 HG22 ILE A 125 12.885 -17.556 -6.135 1.00 7.27 H new ATOM 0 HG23 ILE A 125 11.844 -17.957 -4.748 1.00 7.27 H new ATOM 0 HD11 ILE A 125 7.791 -17.638 -6.149 1.00 6.48 H new ATOM 0 HD12 ILE A 125 8.773 -17.075 -7.522 1.00 6.48 H new ATOM 0 HD13 ILE A 125 9.260 -18.527 -6.616 1.00 6.48 H new ATOM 1908 N ARG A 126 13.599 -14.800 -6.626 1.00 9.53 N ATOM 1909 CA ARG A 126 15.024 -14.626 -7.003 1.00 10.70 C ATOM 1910 C ARG A 126 15.848 -14.090 -5.826 1.00 10.89 C ATOM 1911 O ARG A 126 16.997 -14.497 -5.628 1.00 11.45 O ATOM 1912 CB ARG A 126 15.176 -13.648 -8.176 1.00 11.76 C ATOM 1913 CG ARG A 126 14.351 -13.985 -9.408 1.00 12.03 C ATOM 1914 CD ARG A 126 13.579 -12.767 -9.876 1.00 12.20 C ATOM 1915 NE ARG A 126 12.764 -13.050 -11.063 1.00 12.92 N ATOM 1916 CZ ARG A 126 12.250 -12.117 -11.878 1.00 13.50 C ATOM 1917 NH1 ARG A 126 12.455 -10.820 -11.656 1.00 13.44 N ATOM 1918 NH2 ARG A 126 11.526 -12.490 -12.924 1.00 14.26 N ATOM 0 H ARG A 126 12.948 -14.478 -7.342 1.00 9.53 H new ATOM 0 HA ARG A 126 15.390 -15.610 -7.294 1.00 10.70 H new ATOM 0 HB2 ARG A 126 14.900 -12.650 -7.835 1.00 11.76 H new ATOM 0 HB3 ARG A 126 16.227 -13.608 -8.462 1.00 11.76 H new ATOM 0 HG2 ARG A 126 15.004 -14.338 -10.206 1.00 12.03 H new ATOM 0 HG3 ARG A 126 13.660 -14.796 -9.180 1.00 12.03 H new ATOM 0 HD2 ARG A 126 12.935 -12.416 -9.070 1.00 12.20 H new ATOM 0 HD3 ARG A 126 14.277 -11.961 -10.100 1.00 12.20 H new ATOM 0 HE ARG A 126 12.575 -14.027 -11.284 1.00 12.92 H new ATOM 0 HH11 ARG A 126 13.011 -10.521 -10.855 1.00 13.44 H new ATOM 0 HH12 ARG A 126 12.056 -10.125 -12.287 1.00 13.44 H new ATOM 0 HH21 ARG A 126 11.363 -13.481 -13.104 1.00 14.26 H new ATOM 0 HH22 ARG A 126 11.132 -11.786 -13.548 1.00 14.26 H new ATOM 1932 N GLU A 127 15.240 -13.169 -5.051 1.00 10.50 N ATOM 1933 CA GLU A 127 15.888 -12.590 -3.871 1.00 10.79 C ATOM 1934 C GLU A 127 15.751 -13.521 -2.663 1.00 10.06 C ATOM 1935 O GLU A 127 16.622 -13.544 -1.789 1.00 10.61 O ATOM 1936 CB GLU A 127 15.273 -11.231 -3.542 1.00 10.70 C ATOM 1937 CG GLU A 127 15.655 -10.115 -4.514 1.00 11.77 C ATOM 1938 CD GLU A 127 17.049 -9.564 -4.268 1.00 12.85 C ATOM 1939 OE1 GLU A 127 18.010 -10.091 -4.867 1.00 13.26 O ATOM 1940 OE2 GLU A 127 17.178 -8.605 -3.478 1.00 13.42 O ATOM 0 H GLU A 127 14.300 -12.814 -5.227 1.00 10.50 H new ATOM 0 HA GLU A 127 16.947 -12.461 -4.097 1.00 10.79 H new ATOM 0 HB2 GLU A 127 14.188 -11.330 -3.530 1.00 10.70 H new ATOM 0 HB3 GLU A 127 15.578 -10.941 -2.537 1.00 10.70 H new ATOM 0 HG2 GLU A 127 15.595 -10.493 -5.534 1.00 11.77 H new ATOM 0 HG3 GLU A 127 14.930 -9.305 -4.431 1.00 11.77 H new ATOM 1947 N ALA A 128 14.645 -14.286 -2.630 1.00 8.89 N ATOM 1948 CA ALA A 128 14.370 -15.240 -1.550 1.00 8.16 C ATOM 1949 C ALA A 128 15.203 -16.521 -1.666 1.00 8.57 C ATOM 1950 O ALA A 128 15.431 -17.212 -0.669 1.00 8.66 O ATOM 1951 CB ALA A 128 12.908 -15.607 -1.583 1.00 6.87 C ATOM 0 H ALA A 128 13.922 -14.258 -3.349 1.00 8.89 H new ATOM 0 HA ALA A 128 14.639 -14.757 -0.611 1.00 8.16 H new ATOM 0 HB1 ALA A 128 12.693 -16.316 -0.784 1.00 6.87 H new ATOM 0 HB2 ALA A 128 12.304 -14.710 -1.444 1.00 6.87 H new ATOM 0 HB3 ALA A 128 12.668 -16.061 -2.545 1.00 6.87 H new ATOM 1957 N ALA A 129 15.632 -16.824 -2.908 1.00 8.95 N ATOM 1958 CA ALA A 129 16.429 -18.022 -3.262 1.00 9.43 C ATOM 1959 C ALA A 129 15.525 -19.252 -3.380 1.00 8.51 C ATOM 1960 O ALA A 129 15.444 -19.862 -4.449 1.00 8.76 O ATOM 1961 CB ALA A 129 17.595 -18.276 -2.295 1.00 10.42 C ATOM 0 H ALA A 129 15.431 -16.231 -3.713 1.00 8.95 H new ATOM 0 HA ALA A 129 16.882 -17.825 -4.234 1.00 9.43 H new ATOM 0 HB1 ALA A 129 18.140 -19.167 -2.608 1.00 10.42 H new ATOM 0 HB2 ALA A 129 18.267 -17.418 -2.302 1.00 10.42 H new ATOM 0 HB3 ALA A 129 17.206 -18.424 -1.287 1.00 10.42 H new ATOM 1967 N ILE A 130 14.831 -19.598 -2.270 1.00 7.54 N ATOM 1968 CA ILE A 130 13.888 -20.744 -2.203 1.00 6.69 C ATOM 1969 C ILE A 130 14.591 -22.110 -2.275 1.00 6.68 C ATOM 1970 O ILE A 130 14.216 -23.048 -1.568 1.00 6.97 O ATOM 1971 CB ILE A 130 12.755 -20.620 -3.292 1.00 5.80 C ATOM 1972 CG1 ILE A 130 11.363 -20.626 -2.643 1.00 5.43 C ATOM 1973 CG2 ILE A 130 12.823 -21.699 -4.377 1.00 6.19 C ATOM 1974 CD1 ILE A 130 10.843 -19.247 -2.283 1.00 4.53 C ATOM 0 H ILE A 130 14.909 -19.088 -1.390 1.00 7.54 H new ATOM 0 HA ILE A 130 13.419 -20.696 -1.220 1.00 6.69 H new ATOM 0 HB ILE A 130 12.929 -19.663 -3.784 1.00 5.80 H new ATOM 0 HG12 ILE A 130 10.658 -21.102 -3.324 1.00 5.43 H new ATOM 0 HG13 ILE A 130 11.397 -21.237 -1.741 1.00 5.43 H new ATOM 0 HG21 ILE A 130 12.013 -21.549 -5.090 1.00 6.19 H new ATOM 0 HG22 ILE A 130 13.780 -21.634 -4.896 1.00 6.19 H new ATOM 0 HG23 ILE A 130 12.725 -22.683 -3.918 1.00 6.19 H new ATOM 0 HD11 ILE A 130 9.856 -19.337 -1.830 1.00 4.53 H new ATOM 0 HD12 ILE A 130 11.525 -18.774 -1.576 1.00 4.53 H new ATOM 0 HD13 ILE A 130 10.774 -18.637 -3.184 1.00 4.53 H new ATOM 1986 N ASP A 131 15.607 -22.184 -3.130 1.00 6.58 N ATOM 1987 CA ASP A 131 16.394 -23.404 -3.374 1.00 6.68 C ATOM 1988 C ASP A 131 16.942 -24.031 -2.086 1.00 6.59 C ATOM 1989 O ASP A 131 17.066 -23.360 -1.057 1.00 6.80 O ATOM 1990 CB ASP A 131 17.540 -23.093 -4.348 1.00 7.70 C ATOM 1991 CG ASP A 131 17.972 -24.305 -5.156 1.00 7.98 C ATOM 1992 OD1 ASP A 131 18.865 -25.043 -4.690 1.00 8.18 O ATOM 1993 OD2 ASP A 131 17.415 -24.515 -6.255 1.00 8.25 O ATOM 0 H ASP A 131 15.918 -21.387 -3.686 1.00 6.58 H new ATOM 0 HA ASP A 131 15.721 -24.140 -3.813 1.00 6.68 H new ATOM 0 HB2 ASP A 131 17.227 -22.301 -5.029 1.00 7.70 H new ATOM 0 HB3 ASP A 131 18.394 -22.713 -3.787 1.00 7.70 H new ATOM 1998 N GLY A 132 17.262 -25.328 -2.176 1.00 6.49 N ATOM 1999 CA GLY A 132 17.763 -26.075 -1.035 1.00 6.52 C ATOM 2000 C GLY A 132 16.662 -26.898 -0.401 1.00 5.87 C ATOM 2001 O GLY A 132 16.799 -28.114 -0.235 1.00 6.01 O ATOM 0 H GLY A 132 17.180 -25.875 -3.033 1.00 6.49 H new ATOM 0 HA2 GLY A 132 18.575 -26.730 -1.352 1.00 6.52 H new ATOM 0 HA3 GLY A 132 18.178 -25.387 -0.299 1.00 6.52 H new ATOM 2005 N ASP A 133 15.569 -26.215 -0.051 1.00 5.34 N ATOM 2006 CA ASP A 133 14.403 -26.843 0.555 1.00 4.95 C ATOM 2007 C ASP A 133 13.245 -26.715 -0.396 1.00 4.57 C ATOM 2008 O ASP A 133 12.360 -27.573 -0.467 1.00 4.65 O ATOM 2009 CB ASP A 133 14.007 -26.111 1.817 1.00 4.99 C ATOM 2010 CG ASP A 133 13.552 -27.041 2.925 1.00 5.63 C ATOM 2011 OD1 ASP A 133 12.379 -27.470 2.896 1.00 6.07 O ATOM 2012 OD2 ASP A 133 14.369 -27.341 3.820 1.00 5.97 O ATOM 0 H ASP A 133 15.472 -25.208 -0.182 1.00 5.34 H new ATOM 0 HA ASP A 133 14.643 -27.883 0.777 1.00 4.95 H new ATOM 0 HB2 ASP A 133 14.854 -25.522 2.170 1.00 4.99 H new ATOM 0 HB3 ASP A 133 13.205 -25.410 1.587 1.00 4.99 H new ATOM 2017 N GLY A 134 13.293 -25.602 -1.125 1.00 4.47 N ATOM 2018 CA GLY A 134 12.278 -25.265 -2.063 1.00 4.33 C ATOM 2019 C GLY A 134 11.185 -24.367 -1.486 1.00 3.73 C ATOM 2020 O GLY A 134 10.397 -23.785 -2.237 1.00 3.75 O ATOM 0 H GLY A 134 14.049 -24.920 -1.066 1.00 4.47 H new ATOM 0 HA2 GLY A 134 12.735 -24.764 -2.916 1.00 4.33 H new ATOM 0 HA3 GLY A 134 11.823 -26.182 -2.438 1.00 4.33 H new ATOM 2024 N GLN A 135 11.149 -24.264 -0.152 1.00 3.55 N ATOM 2025 CA GLN A 135 10.171 -23.448 0.562 1.00 3.33 C ATOM 2026 C GLN A 135 10.804 -22.177 1.156 1.00 3.69 C ATOM 2027 O GLN A 135 12.030 -22.026 1.156 1.00 4.33 O ATOM 2028 CB GLN A 135 9.510 -24.299 1.652 1.00 3.82 C ATOM 2029 CG GLN A 135 10.462 -25.101 2.539 1.00 4.41 C ATOM 2030 CD GLN A 135 9.746 -25.807 3.674 1.00 5.26 C ATOM 2031 OE1 GLN A 135 9.595 -25.258 4.765 1.00 5.74 O ATOM 2032 NE2 GLN A 135 9.302 -27.033 3.422 1.00 5.78 N ATOM 0 H GLN A 135 11.803 -24.749 0.462 1.00 3.55 H new ATOM 0 HA GLN A 135 9.414 -23.112 -0.147 1.00 3.33 H new ATOM 0 HB2 GLN A 135 8.916 -23.643 2.289 1.00 3.82 H new ATOM 0 HB3 GLN A 135 8.817 -24.992 1.175 1.00 3.82 H new ATOM 0 HG2 GLN A 135 10.986 -25.838 1.930 1.00 4.41 H new ATOM 0 HG3 GLN A 135 11.218 -24.433 2.951 1.00 4.41 H new ATOM 0 HE21 GLN A 135 9.449 -27.450 2.503 1.00 5.78 H new ATOM 0 HE22 GLN A 135 8.814 -27.558 4.148 1.00 5.78 H new ATOM 2041 N VAL A 136 9.948 -21.273 1.658 1.00 3.59 N ATOM 2042 CA VAL A 136 10.383 -20.016 2.256 1.00 4.23 C ATOM 2043 C VAL A 136 9.599 -19.729 3.545 1.00 4.67 C ATOM 2044 O VAL A 136 8.939 -20.613 4.088 1.00 4.74 O ATOM 2045 CB VAL A 136 10.294 -18.843 1.218 1.00 4.02 C ATOM 2046 CG1 VAL A 136 8.857 -18.407 0.932 1.00 3.51 C ATOM 2047 CG2 VAL A 136 11.159 -17.645 1.617 1.00 5.08 C ATOM 0 H VAL A 136 8.936 -21.400 1.657 1.00 3.59 H new ATOM 0 HA VAL A 136 11.432 -20.104 2.538 1.00 4.23 H new ATOM 0 HB VAL A 136 10.696 -19.248 0.289 1.00 4.02 H new ATOM 0 HG11 VAL A 136 8.861 -17.593 0.207 1.00 3.51 H new ATOM 0 HG12 VAL A 136 8.295 -19.249 0.529 1.00 3.51 H new ATOM 0 HG13 VAL A 136 8.389 -18.067 1.856 1.00 3.51 H new ATOM 0 HG21 VAL A 136 11.063 -16.861 0.866 1.00 5.08 H new ATOM 0 HG22 VAL A 136 10.830 -17.265 2.584 1.00 5.08 H new ATOM 0 HG23 VAL A 136 12.202 -17.956 1.685 1.00 5.08 H new ATOM 2057 N ASN A 137 9.691 -18.492 4.015 1.00 5.28 N ATOM 2058 CA ASN A 137 9.011 -18.076 5.244 1.00 5.95 C ATOM 2059 C ASN A 137 7.647 -17.440 4.952 1.00 5.49 C ATOM 2060 O ASN A 137 7.150 -17.470 3.823 1.00 4.60 O ATOM 2061 CB ASN A 137 9.881 -17.120 6.085 1.00 7.18 C ATOM 2062 CG ASN A 137 11.256 -17.685 6.402 1.00 7.90 C ATOM 2063 OD1 ASN A 137 12.210 -17.487 5.650 1.00 8.11 O ATOM 2064 ND2 ASN A 137 11.361 -18.393 7.520 1.00 8.51 N ATOM 0 H ASN A 137 10.231 -17.753 3.565 1.00 5.28 H new ATOM 0 HA ASN A 137 8.844 -18.981 5.828 1.00 5.95 H new ATOM 0 HB2 ASN A 137 9.997 -16.178 5.549 1.00 7.18 H new ATOM 0 HB3 ASN A 137 9.364 -16.894 7.018 1.00 7.18 H new ATOM 0 HD21 ASN A 137 12.259 -18.798 7.785 1.00 8.51 H new ATOM 0 HD22 ASN A 137 10.544 -18.532 8.114 1.00 8.51 H new ATOM 2071 N TYR A 138 7.074 -16.873 6.006 1.00 6.22 N ATOM 2072 CA TYR A 138 5.763 -16.238 5.995 1.00 6.03 C ATOM 2073 C TYR A 138 5.896 -14.720 5.957 1.00 6.55 C ATOM 2074 O TYR A 138 5.220 -14.051 5.177 1.00 6.13 O ATOM 2075 CB TYR A 138 4.984 -16.664 7.263 1.00 6.78 C ATOM 2076 CG TYR A 138 5.903 -16.921 8.437 1.00 7.93 C ATOM 2077 CD1 TYR A 138 5.789 -16.234 9.632 1.00 8.62 C ATOM 2078 CD2 TYR A 138 6.935 -17.828 8.298 1.00 8.50 C ATOM 2079 CE1 TYR A 138 6.689 -16.456 10.656 1.00 9.65 C ATOM 2080 CE2 TYR A 138 7.823 -18.058 9.289 1.00 9.54 C ATOM 2081 CZ TYR A 138 7.712 -17.371 10.480 1.00 10.06 C ATOM 2082 OH TYR A 138 8.614 -17.599 11.494 1.00 11.13 O ATOM 0 H TYR A 138 7.524 -16.842 6.921 1.00 6.22 H new ATOM 0 HA TYR A 138 5.224 -16.555 5.102 1.00 6.03 H new ATOM 0 HB2 TYR A 138 4.269 -15.885 7.527 1.00 6.78 H new ATOM 0 HB3 TYR A 138 4.409 -17.565 7.049 1.00 6.78 H new ATOM 0 HD1 TYR A 138 4.991 -15.519 9.765 1.00 8.62 H new ATOM 0 HD2 TYR A 138 7.035 -18.370 7.369 1.00 8.50 H new ATOM 0 HE1 TYR A 138 6.595 -15.919 11.588 1.00 9.65 H new ATOM 0 HE2 TYR A 138 8.617 -18.777 9.150 1.00 9.54 H new ATOM 0 HH TYR A 138 9.267 -18.271 11.206 1.00 11.13 H new ATOM 2092 N GLU A 139 6.778 -14.195 6.821 1.00 7.59 N ATOM 2093 CA GLU A 139 7.007 -12.752 6.935 1.00 8.39 C ATOM 2094 C GLU A 139 8.007 -12.232 5.898 1.00 8.26 C ATOM 2095 O GLU A 139 7.668 -11.370 5.090 1.00 8.61 O ATOM 2096 CB GLU A 139 7.476 -12.394 8.353 1.00 9.64 C ATOM 2097 CG GLU A 139 6.371 -12.440 9.397 1.00 10.21 C ATOM 2098 CD GLU A 139 6.867 -12.086 10.786 1.00 11.39 C ATOM 2099 OE1 GLU A 139 7.307 -13.003 11.511 1.00 11.90 O ATOM 2100 OE2 GLU A 139 6.816 -10.892 11.148 1.00 11.94 O ATOM 0 H GLU A 139 7.347 -14.756 7.455 1.00 7.59 H new ATOM 0 HA GLU A 139 6.054 -12.262 6.735 1.00 8.39 H new ATOM 0 HB2 GLU A 139 8.269 -13.081 8.647 1.00 9.64 H new ATOM 0 HB3 GLU A 139 7.909 -11.394 8.340 1.00 9.64 H new ATOM 0 HG2 GLU A 139 5.577 -11.750 9.112 1.00 10.21 H new ATOM 0 HG3 GLU A 139 5.934 -13.438 9.415 1.00 10.21 H new ATOM 2107 N GLU A 140 9.226 -12.800 5.912 1.00 7.94 N ATOM 2108 CA GLU A 140 10.336 -12.383 5.027 1.00 8.10 C ATOM 2109 C GLU A 140 9.999 -12.368 3.527 1.00 7.13 C ATOM 2110 O GLU A 140 10.668 -11.664 2.764 1.00 7.54 O ATOM 2111 CB GLU A 140 11.558 -13.279 5.258 1.00 8.42 C ATOM 2112 CG GLU A 140 12.265 -13.027 6.582 1.00 9.47 C ATOM 2113 CD GLU A 140 13.470 -13.926 6.779 1.00 9.95 C ATOM 2114 OE1 GLU A 140 13.304 -15.025 7.348 1.00 10.29 O ATOM 2115 OE2 GLU A 140 14.580 -13.531 6.364 1.00 10.17 O ATOM 0 H GLU A 140 9.473 -13.565 6.539 1.00 7.94 H new ATOM 0 HA GLU A 140 10.544 -11.349 5.301 1.00 8.10 H new ATOM 0 HB2 GLU A 140 11.244 -14.322 5.217 1.00 8.42 H new ATOM 0 HB3 GLU A 140 12.267 -13.127 4.444 1.00 8.42 H new ATOM 0 HG2 GLU A 140 12.582 -11.985 6.628 1.00 9.47 H new ATOM 0 HG3 GLU A 140 11.562 -13.183 7.401 1.00 9.47 H new ATOM 2122 N PHE A 141 8.978 -13.127 3.098 1.00 5.98 N ATOM 2123 CA PHE A 141 8.614 -13.170 1.687 1.00 5.06 C ATOM 2124 C PHE A 141 7.670 -12.034 1.285 1.00 4.76 C ATOM 2125 O PHE A 141 7.994 -11.250 0.388 1.00 5.06 O ATOM 2126 CB PHE A 141 8.061 -14.548 1.282 1.00 3.97 C ATOM 2127 CG PHE A 141 8.242 -14.811 -0.177 1.00 3.73 C ATOM 2128 CD1 PHE A 141 7.276 -14.399 -1.069 1.00 3.83 C ATOM 2129 CD2 PHE A 141 9.403 -15.406 -0.654 1.00 4.10 C ATOM 2130 CE1 PHE A 141 7.458 -14.562 -2.417 1.00 4.24 C ATOM 2131 CE2 PHE A 141 9.585 -15.595 -2.017 1.00 4.47 C ATOM 2132 CZ PHE A 141 8.607 -15.159 -2.889 1.00 4.52 C ATOM 0 H PHE A 141 8.401 -13.710 3.705 1.00 5.98 H new ATOM 0 HA PHE A 141 9.535 -13.013 1.126 1.00 5.06 H new ATOM 0 HB2 PHE A 141 8.565 -15.325 1.857 1.00 3.97 H new ATOM 0 HB3 PHE A 141 7.002 -14.603 1.533 1.00 3.97 H new ATOM 0 HD1 PHE A 141 6.368 -13.944 -0.702 1.00 3.83 H new ATOM 0 HD2 PHE A 141 10.168 -15.723 0.039 1.00 4.10 H new ATOM 0 HE1 PHE A 141 6.702 -14.223 -3.109 1.00 4.24 H new ATOM 0 HE2 PHE A 141 10.478 -16.076 -2.390 1.00 4.47 H new ATOM 0 HZ PHE A 141 8.744 -15.287 -3.953 1.00 4.52 H new ATOM 2142 N VAL A 142 6.516 -11.950 1.941 1.00 4.40 N ATOM 2143 CA VAL A 142 5.531 -10.870 1.662 1.00 4.15 C ATOM 2144 C VAL A 142 6.137 -9.532 2.037 1.00 5.25 C ATOM 2145 O VAL A 142 5.850 -8.507 1.419 1.00 5.25 O ATOM 2146 CB VAL A 142 4.183 -10.989 2.419 1.00 4.09 C ATOM 2147 CG1 VAL A 142 3.021 -10.725 1.476 1.00 3.37 C ATOM 2148 CG2 VAL A 142 4.017 -12.327 3.103 1.00 3.96 C ATOM 0 H VAL A 142 6.227 -12.605 2.668 1.00 4.40 H new ATOM 0 HA VAL A 142 5.309 -10.962 0.599 1.00 4.15 H new ATOM 0 HB VAL A 142 4.189 -10.231 3.203 1.00 4.09 H new ATOM 0 HG11 VAL A 142 2.082 -10.812 2.022 1.00 3.37 H new ATOM 0 HG12 VAL A 142 3.109 -9.720 1.063 1.00 3.37 H new ATOM 0 HG13 VAL A 142 3.038 -11.453 0.665 1.00 3.37 H new ATOM 0 HG21 VAL A 142 3.056 -12.356 3.617 1.00 3.96 H new ATOM 0 HG22 VAL A 142 4.054 -13.123 2.359 1.00 3.96 H new ATOM 0 HG23 VAL A 142 4.820 -12.468 3.826 1.00 3.96 H new ATOM 2158 N GLN A 143 6.975 -9.562 3.079 1.00 6.26 N ATOM 2159 CA GLN A 143 7.688 -8.362 3.535 1.00 7.42 C ATOM 2160 C GLN A 143 8.554 -7.791 2.410 1.00 7.74 C ATOM 2161 O GLN A 143 8.825 -6.586 2.380 1.00 8.48 O ATOM 2162 CB GLN A 143 8.550 -8.661 4.768 1.00 8.47 C ATOM 2163 CG GLN A 143 8.714 -7.476 5.712 1.00 9.24 C ATOM 2164 CD GLN A 143 9.587 -7.801 6.907 1.00 10.23 C ATOM 2165 OE1 GLN A 143 10.805 -7.620 6.868 1.00 10.70 O ATOM 2166 NE2 GLN A 143 8.969 -8.283 7.979 1.00 10.74 N ATOM 0 H GLN A 143 7.176 -10.402 3.622 1.00 6.26 H new ATOM 0 HA GLN A 143 6.941 -7.619 3.816 1.00 7.42 H new ATOM 0 HB2 GLN A 143 8.105 -9.491 5.317 1.00 8.47 H new ATOM 0 HB3 GLN A 143 9.536 -8.989 4.438 1.00 8.47 H new ATOM 0 HG2 GLN A 143 9.148 -6.638 5.166 1.00 9.24 H new ATOM 0 HG3 GLN A 143 7.732 -7.155 6.060 1.00 9.24 H new ATOM 0 HE21 GLN A 143 7.958 -8.417 7.968 1.00 10.74 H new ATOM 0 HE22 GLN A 143 9.505 -8.519 8.814 1.00 10.74 H new ATOM 2175 N MET A 144 8.983 -8.670 1.490 1.00 7.32 N ATOM 2176 CA MET A 144 9.787 -8.248 0.351 1.00 7.88 C ATOM 2177 C MET A 144 8.933 -7.808 -0.825 1.00 7.37 C ATOM 2178 O MET A 144 9.437 -7.310 -1.838 1.00 8.01 O ATOM 2179 CB MET A 144 10.782 -9.334 -0.063 1.00 8.04 C ATOM 2180 CG MET A 144 12.169 -8.800 -0.388 1.00 9.33 C ATOM 2181 SD MET A 144 13.021 -9.783 -1.638 1.00 9.76 S ATOM 2182 CE MET A 144 12.330 -9.105 -3.148 1.00 9.64 C ATOM 0 H MET A 144 8.784 -9.670 1.519 1.00 7.32 H new ATOM 0 HA MET A 144 10.357 -7.377 0.674 1.00 7.88 H new ATOM 0 HB2 MET A 144 10.863 -10.066 0.741 1.00 8.04 H new ATOM 0 HB3 MET A 144 10.391 -9.860 -0.934 1.00 8.04 H new ATOM 0 HG2 MET A 144 12.085 -7.771 -0.737 1.00 9.33 H new ATOM 0 HG3 MET A 144 12.768 -8.780 0.522 1.00 9.33 H new ATOM 0 HE1 MET A 144 12.723 -9.651 -4.005 1.00 9.64 H new ATOM 0 HE2 MET A 144 11.244 -9.198 -3.125 1.00 9.64 H new ATOM 0 HE3 MET A 144 12.602 -8.053 -3.232 1.00 9.64 H new ATOM 2192 N MET A 145 7.645 -7.996 -0.658 1.00 6.37 N ATOM 2193 CA MET A 145 6.653 -7.581 -1.649 1.00 5.88 C ATOM 2194 C MET A 145 6.081 -6.234 -1.207 1.00 6.25 C ATOM 2195 O MET A 145 5.498 -5.487 -1.998 1.00 6.33 O ATOM 2196 CB MET A 145 5.573 -8.667 -1.884 1.00 4.66 C ATOM 2197 CG MET A 145 4.312 -8.542 -1.048 1.00 3.68 C ATOM 2198 SD MET A 145 3.129 -7.368 -1.738 1.00 3.52 S ATOM 2199 CE MET A 145 1.877 -7.368 -0.460 1.00 3.45 C ATOM 0 H MET A 145 7.244 -8.441 0.168 1.00 6.37 H new ATOM 0 HA MET A 145 7.123 -7.457 -2.625 1.00 5.88 H new ATOM 0 HB2 MET A 145 5.291 -8.649 -2.937 1.00 4.66 H new ATOM 0 HB3 MET A 145 6.019 -9.643 -1.690 1.00 4.66 H new ATOM 0 HG2 MET A 145 3.839 -9.520 -0.964 1.00 3.68 H new ATOM 0 HG3 MET A 145 4.580 -8.230 -0.039 1.00 3.68 H new ATOM 0 HE1 MET A 145 0.903 -7.164 -0.905 1.00 3.45 H new ATOM 0 HE2 MET A 145 1.856 -8.342 0.028 1.00 3.45 H new ATOM 0 HE3 MET A 145 2.108 -6.598 0.276 1.00 3.45 H new ATOM 2209 N THR A 146 6.276 -5.963 0.090 1.00 6.65 N ATOM 2210 CA THR A 146 5.864 -4.723 0.726 1.00 7.20 C ATOM 2211 C THR A 146 7.036 -3.729 0.681 1.00 8.45 C ATOM 2212 O THR A 146 6.827 -2.512 0.694 1.00 8.99 O ATOM 2213 CB THR A 146 5.438 -4.963 2.198 1.00 7.31 C ATOM 2214 OG1 THR A 146 4.710 -6.194 2.305 1.00 6.44 O ATOM 2215 CG2 THR A 146 4.566 -3.824 2.725 1.00 7.72 C ATOM 0 H THR A 146 6.732 -6.614 0.729 1.00 6.65 H new ATOM 0 HA THR A 146 5.005 -4.320 0.189 1.00 7.20 H new ATOM 0 HB THR A 146 6.347 -5.010 2.797 1.00 7.31 H new ATOM 0 HG1 THR A 146 5.304 -6.945 2.095 1.00 6.44 H new ATOM 0 HG21 THR A 146 4.287 -4.028 3.759 1.00 7.72 H new ATOM 0 HG22 THR A 146 5.122 -2.888 2.677 1.00 7.72 H new ATOM 0 HG23 THR A 146 3.666 -3.743 2.116 1.00 7.72 H new ATOM 2223 N ALA A 147 8.272 -4.273 0.629 1.00 8.92 N ATOM 2224 CA ALA A 147 9.485 -3.457 0.564 1.00 10.15 C ATOM 2225 C ALA A 147 9.932 -3.242 -0.884 1.00 10.43 C ATOM 2226 O ALA A 147 10.475 -2.185 -1.218 1.00 11.37 O ATOM 2227 CB ALA A 147 10.599 -4.110 1.368 1.00 10.68 C ATOM 0 H ALA A 147 8.446 -5.278 0.631 1.00 8.92 H new ATOM 0 HA ALA A 147 9.260 -2.481 0.994 1.00 10.15 H new ATOM 0 HB1 ALA A 147 11.497 -3.494 1.313 1.00 10.68 H new ATOM 0 HB2 ALA A 147 10.289 -4.206 2.408 1.00 10.68 H new ATOM 0 HB3 ALA A 147 10.811 -5.098 0.960 1.00 10.68 H new ATOM 2233 N LYS A 148 9.698 -4.253 -1.733 1.00 9.72 N ATOM 2234 CA LYS A 148 10.057 -4.205 -3.125 1.00 10.13 C ATOM 2235 C LYS A 148 8.794 -4.362 -3.981 1.00 9.70 C ATOM 2236 O LYS A 148 8.563 -3.502 -4.857 1.00 9.60 O ATOM 2237 CB LYS A 148 11.143 -5.283 -3.393 1.00 10.60 C ATOM 2238 CG LYS A 148 11.349 -5.688 -4.850 1.00 11.38 C ATOM 2239 CD LYS A 148 10.307 -6.709 -5.239 1.00 11.36 C ATOM 2240 CE LYS A 148 10.155 -6.831 -6.746 1.00 12.34 C ATOM 2241 NZ LYS A 148 9.126 -7.840 -7.119 1.00 12.59 N ATOM 2242 OXT LYS A 148 8.044 -5.336 -3.757 1.00 9.69 O ATOM 0 H LYS A 148 9.250 -5.126 -1.454 1.00 9.72 H new ATOM 0 HA LYS A 148 10.490 -3.243 -3.400 1.00 10.13 H new ATOM 0 HB2 LYS A 148 12.092 -4.917 -3.002 1.00 10.60 H new ATOM 0 HB3 LYS A 148 10.887 -6.176 -2.823 1.00 10.60 H new ATOM 0 HG2 LYS A 148 11.276 -4.813 -5.496 1.00 11.38 H new ATOM 0 HG3 LYS A 148 12.348 -6.102 -4.986 1.00 11.38 H new ATOM 0 HD2 LYS A 148 10.579 -7.679 -4.824 1.00 11.36 H new ATOM 0 HD3 LYS A 148 9.348 -6.432 -4.800 1.00 11.36 H new ATOM 0 HE2 LYS A 148 9.881 -5.862 -7.163 1.00 12.34 H new ATOM 0 HE3 LYS A 148 11.113 -7.109 -7.186 1.00 12.34 H new ATOM 0 HZ1 LYS A 148 8.979 -7.822 -8.148 1.00 12.59 H new ATOM 0 HZ2 LYS A 148 9.448 -8.786 -6.832 1.00 12.59 H new ATOM 0 HZ3 LYS A 148 8.231 -7.618 -6.638 1.00 12.59 H new