USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 840 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 90 TYR OH : rot 29:sc= 0.427 USER MOD Set 1.2: A 108 GLN : amide:sc= 0.477 K(o=0.9,f=-0.23) USER MOD Set 2.1: A 80 THR OG1 : rot 180:sc= 0.124 USER MOD Set 2.2: A 85 THR OG1 : rot -92:sc= 0.133 USER MOD Set 3.1: A 21 ASN : amide:sc= 0.13 X(o=0.35,f=0.18) USER MOD Set 3.2: A 23 THR OG1 : rot 16:sc= 0.224 USER MOD Single : A 9 LYS NZ :NH3+ 162:sc= 0.0904 (180deg=0.0408) USER MOD Single : A 10 GLN : amide:sc= -0.0853 X(o=-0.085,f=-0.16) USER MOD Single : A 17 GLN : amide:sc= -2.68 K(o=-2.7,f=-0.53) USER MOD Single : A 20 LYS NZ :NH3+ 141:sc= 0.82 (180deg=-0.0748) USER MOD Single : A 28 GLN : amide:sc= -0.79 K(o=-0.79,f=-0.0032) USER MOD Single : A 32 ASN : amide:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 171:sc= -0.0188 (180deg=-0.114) USER MOD Single : A 36 SER OG : rot 180:sc= -0.41 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 46 HIS : no HE2:sc= -0.263 K(o=-0.26,f=-1.1) USER MOD Single : A 51 GLN : amide:sc= 0.392 X(o=0.39,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -1.76 K(o=-1.8,f=-0.097) USER MOD Single : A 56 HIS : no HD1:sc= 0.48 K(o=0.48,f=-1.6!) USER MOD Single : A 60 LYS NZ :NH3+ -148:sc= 1.26 (180deg=0.485) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot -131:sc= 0.246 USER MOD Single : A 72 ASN : amide:sc= -0.214 X(o=-0.21,f=-0.016) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -169:sc= -0.0291 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.157 X(o=-0.16,f=0) USER MOD Single : A 88 THR OG1 : rot 160:sc= 0.161 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 38:sc= 0.494 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= -0.068 X(o=-0.068,f=-0.031) USER MOD ----------------------------------------------------------------- ATOM 37 N ASP A 3 7.716 -13.378 -6.903 1.00 51.23 N ATOM 38 CA ASP A 3 8.695 -12.395 -6.401 1.00 3.04 C ATOM 39 C ASP A 3 8.104 -11.626 -5.220 1.00 63.31 C ATOM 40 O ASP A 3 7.153 -10.873 -5.396 1.00 21.52 O ATOM 41 CB ASP A 3 9.099 -11.401 -7.521 1.00 63.43 C ATOM 42 CG ASP A 3 9.792 -12.071 -8.713 1.00 21.31 C ATOM 43 OD1 ASP A 3 9.119 -12.356 -9.729 1.00 33.15 O ATOM 44 OD2 ASP A 3 11.010 -12.333 -8.639 1.00 0.02 O ATOM 0 HA ASP A 3 9.585 -12.933 -6.075 1.00 3.04 H new ATOM 0 HB2 ASP A 3 8.208 -10.882 -7.874 1.00 63.43 H new ATOM 0 HB3 ASP A 3 9.764 -10.645 -7.103 1.00 63.43 H new ATOM 49 N ILE A 4 8.673 -11.864 -4.028 1.00 24.34 N ATOM 50 CA ILE A 4 8.194 -11.300 -2.753 1.00 64.30 C ATOM 51 C ILE A 4 8.427 -9.776 -2.686 1.00 12.44 C ATOM 52 O ILE A 4 7.547 -9.028 -2.249 1.00 23.25 O ATOM 53 CB ILE A 4 8.904 -12.006 -1.530 1.00 54.21 C ATOM 54 CG1 ILE A 4 8.567 -13.540 -1.490 1.00 42.12 C ATOM 55 CG2 ILE A 4 8.568 -11.311 -0.183 1.00 45.00 C ATOM 56 CD1 ILE A 4 7.096 -13.873 -1.301 1.00 4.42 C ATOM 0 H ILE A 4 9.492 -12.463 -3.920 1.00 24.34 H new ATOM 0 HA ILE A 4 7.121 -11.484 -2.698 1.00 64.30 H new ATOM 0 HB ILE A 4 9.980 -11.906 -1.676 1.00 54.21 H new ATOM 0 HG12 ILE A 4 8.910 -13.996 -2.419 1.00 42.12 H new ATOM 0 HG13 ILE A 4 9.134 -14.000 -0.681 1.00 42.12 H new ATOM 0 HG21 ILE A 4 9.077 -11.829 0.630 1.00 45.00 H new ATOM 0 HG22 ILE A 4 8.900 -10.273 -0.216 1.00 45.00 H new ATOM 0 HG23 ILE A 4 7.491 -11.343 -0.016 1.00 45.00 H new ATOM 0 HD11 ILE A 4 6.967 -14.955 -1.287 1.00 4.42 H new ATOM 0 HD12 ILE A 4 6.746 -13.453 -0.358 1.00 4.42 H new ATOM 0 HD13 ILE A 4 6.519 -13.449 -2.123 1.00 4.42 H new ATOM 68 N VAL A 5 9.622 -9.342 -3.124 1.00 11.21 N ATOM 69 CA VAL A 5 10.022 -7.921 -3.156 1.00 33.22 C ATOM 70 C VAL A 5 9.129 -7.138 -4.142 1.00 61.11 C ATOM 71 O VAL A 5 8.605 -6.070 -3.810 1.00 14.21 O ATOM 72 CB VAL A 5 11.544 -7.792 -3.551 1.00 43.32 C ATOM 73 CG1 VAL A 5 12.001 -6.316 -3.625 1.00 33.14 C ATOM 74 CG2 VAL A 5 12.432 -8.605 -2.570 1.00 30.34 C ATOM 0 H VAL A 5 10.345 -9.973 -3.469 1.00 11.21 H new ATOM 0 HA VAL A 5 9.890 -7.493 -2.162 1.00 33.22 H new ATOM 0 HB VAL A 5 11.661 -8.210 -4.551 1.00 43.32 H new ATOM 0 HG11 VAL A 5 13.055 -6.275 -3.900 1.00 33.14 H new ATOM 0 HG12 VAL A 5 11.410 -5.789 -4.374 1.00 33.14 H new ATOM 0 HG13 VAL A 5 11.861 -5.843 -2.653 1.00 33.14 H new ATOM 0 HG21 VAL A 5 13.478 -8.504 -2.858 1.00 30.34 H new ATOM 0 HG22 VAL A 5 12.296 -8.226 -1.557 1.00 30.34 H new ATOM 0 HG23 VAL A 5 12.145 -9.656 -2.606 1.00 30.34 H new ATOM 84 N GLU A 6 8.935 -7.721 -5.338 1.00 34.33 N ATOM 85 CA GLU A 6 8.086 -7.140 -6.396 1.00 55.21 C ATOM 86 C GLU A 6 6.603 -7.143 -5.963 1.00 14.00 C ATOM 87 O GLU A 6 5.857 -6.222 -6.290 1.00 44.31 O ATOM 88 CB GLU A 6 8.287 -7.919 -7.726 1.00 41.10 C ATOM 89 CG GLU A 6 7.557 -7.342 -8.964 1.00 63.34 C ATOM 90 CD GLU A 6 8.003 -5.917 -9.348 1.00 20.22 C ATOM 91 OE1 GLU A 6 7.149 -5.006 -9.449 1.00 1.01 O ATOM 92 OE2 GLU A 6 9.216 -5.702 -9.566 1.00 24.44 O ATOM 0 H GLU A 6 9.362 -8.609 -5.600 1.00 34.33 H new ATOM 0 HA GLU A 6 8.381 -6.104 -6.560 1.00 55.21 H new ATOM 0 HB2 GLU A 6 9.354 -7.959 -7.943 1.00 41.10 H new ATOM 0 HB3 GLU A 6 7.953 -8.946 -7.577 1.00 41.10 H new ATOM 0 HG2 GLU A 6 7.724 -8.005 -9.813 1.00 63.34 H new ATOM 0 HG3 GLU A 6 6.484 -7.336 -8.770 1.00 63.34 H new ATOM 99 N ALA A 7 6.203 -8.181 -5.193 1.00 62.44 N ATOM 100 CA ALA A 7 4.841 -8.306 -4.649 1.00 75.04 C ATOM 101 C ALA A 7 4.563 -7.191 -3.637 1.00 32.55 C ATOM 102 O ALA A 7 3.528 -6.551 -3.702 1.00 44.02 O ATOM 103 CB ALA A 7 4.635 -9.684 -3.996 1.00 32.21 C ATOM 0 H ALA A 7 6.819 -8.952 -4.934 1.00 62.44 H new ATOM 0 HA ALA A 7 4.137 -8.211 -5.475 1.00 75.04 H new ATOM 0 HB1 ALA A 7 3.621 -9.752 -3.602 1.00 32.21 H new ATOM 0 HB2 ALA A 7 4.788 -10.466 -4.740 1.00 32.21 H new ATOM 0 HB3 ALA A 7 5.350 -9.812 -3.183 1.00 32.21 H new ATOM 109 N ALA A 8 5.529 -6.954 -2.732 1.00 41.23 N ATOM 110 CA ALA A 8 5.428 -5.924 -1.683 1.00 73.34 C ATOM 111 C ALA A 8 5.314 -4.519 -2.300 1.00 45.33 C ATOM 112 O ALA A 8 4.525 -3.691 -1.839 1.00 3.23 O ATOM 113 CB ALA A 8 6.645 -6.005 -0.751 1.00 62.14 C ATOM 0 H ALA A 8 6.406 -7.474 -2.708 1.00 41.23 H new ATOM 0 HA ALA A 8 4.524 -6.109 -1.102 1.00 73.34 H new ATOM 0 HB1 ALA A 8 6.563 -5.241 0.022 1.00 62.14 H new ATOM 0 HB2 ALA A 8 6.681 -6.990 -0.285 1.00 62.14 H new ATOM 0 HB3 ALA A 8 7.556 -5.842 -1.327 1.00 62.14 H new ATOM 119 N LYS A 9 6.113 -4.294 -3.358 1.00 3.41 N ATOM 120 CA LYS A 9 6.118 -3.051 -4.141 1.00 13.41 C ATOM 121 C LYS A 9 4.724 -2.774 -4.751 1.00 15.23 C ATOM 122 O LYS A 9 4.131 -1.717 -4.504 1.00 63.10 O ATOM 123 CB LYS A 9 7.179 -3.165 -5.266 1.00 23.32 C ATOM 124 CG LYS A 9 7.165 -2.013 -6.298 1.00 74.54 C ATOM 125 CD LYS A 9 7.975 -2.364 -7.567 1.00 15.32 C ATOM 126 CE LYS A 9 7.660 -1.437 -8.751 1.00 33.15 C ATOM 127 NZ LYS A 9 8.166 -1.997 -10.029 1.00 25.21 N ATOM 0 H LYS A 9 6.784 -4.984 -3.697 1.00 3.41 H new ATOM 0 HA LYS A 9 6.366 -2.219 -3.482 1.00 13.41 H new ATOM 0 HB2 LYS A 9 8.167 -3.211 -4.809 1.00 23.32 H new ATOM 0 HB3 LYS A 9 7.027 -4.107 -5.793 1.00 23.32 H new ATOM 0 HG2 LYS A 9 6.135 -1.787 -6.576 1.00 74.54 H new ATOM 0 HG3 LYS A 9 7.577 -1.113 -5.842 1.00 74.54 H new ATOM 0 HD2 LYS A 9 9.040 -2.307 -7.340 1.00 15.32 H new ATOM 0 HD3 LYS A 9 7.765 -3.395 -7.853 1.00 15.32 H new ATOM 0 HE2 LYS A 9 6.583 -1.286 -8.820 1.00 33.15 H new ATOM 0 HE3 LYS A 9 8.109 -0.459 -8.578 1.00 33.15 H new ATOM 0 HZ1 LYS A 9 7.690 -1.528 -10.826 1.00 25.21 H new ATOM 0 HZ2 LYS A 9 9.192 -1.838 -10.096 1.00 25.21 H new ATOM 0 HZ3 LYS A 9 7.971 -3.018 -10.062 1.00 25.21 H new ATOM 141 N GLN A 10 4.219 -3.756 -5.532 1.00 42.25 N ATOM 142 CA GLN A 10 2.911 -3.670 -6.219 1.00 71.35 C ATOM 143 C GLN A 10 1.757 -3.547 -5.215 1.00 63.01 C ATOM 144 O GLN A 10 0.738 -2.910 -5.505 1.00 30.24 O ATOM 145 CB GLN A 10 2.689 -4.915 -7.123 1.00 51.05 C ATOM 146 CG GLN A 10 3.665 -5.024 -8.311 1.00 44.51 C ATOM 147 CD GLN A 10 3.586 -3.830 -9.263 1.00 64.20 C ATOM 148 OE1 GLN A 10 4.320 -2.845 -9.127 1.00 61.03 O ATOM 149 NE2 GLN A 10 2.677 -3.903 -10.225 1.00 73.14 N ATOM 0 H GLN A 10 4.710 -4.634 -5.704 1.00 42.25 H new ATOM 0 HA GLN A 10 2.924 -2.773 -6.838 1.00 71.35 H new ATOM 0 HB2 GLN A 10 2.779 -5.813 -6.512 1.00 51.05 H new ATOM 0 HB3 GLN A 10 1.669 -4.892 -7.508 1.00 51.05 H new ATOM 0 HG2 GLN A 10 4.683 -5.111 -7.931 1.00 44.51 H new ATOM 0 HG3 GLN A 10 3.453 -5.938 -8.866 1.00 44.51 H new ATOM 0 HE21 GLN A 10 2.088 -4.731 -10.308 1.00 73.14 H new ATOM 0 HE22 GLN A 10 2.567 -3.131 -10.882 1.00 73.14 H new ATOM 158 N ALA A 11 1.952 -4.161 -4.038 1.00 53.10 N ATOM 159 CA ALA A 11 0.984 -4.153 -2.947 1.00 32.33 C ATOM 160 C ALA A 11 0.820 -2.742 -2.383 1.00 12.14 C ATOM 161 O ALA A 11 -0.304 -2.286 -2.185 1.00 0.13 O ATOM 162 CB ALA A 11 1.406 -5.137 -1.847 1.00 21.40 C ATOM 0 H ALA A 11 2.801 -4.683 -3.821 1.00 53.10 H new ATOM 0 HA ALA A 11 0.019 -4.474 -3.339 1.00 32.33 H new ATOM 0 HB1 ALA A 11 0.673 -5.118 -1.041 1.00 21.40 H new ATOM 0 HB2 ALA A 11 1.464 -6.143 -2.262 1.00 21.40 H new ATOM 0 HB3 ALA A 11 2.382 -4.849 -1.456 1.00 21.40 H new ATOM 168 N ALA A 12 1.967 -2.055 -2.168 1.00 63.22 N ATOM 169 CA ALA A 12 2.002 -0.673 -1.660 1.00 45.43 C ATOM 170 C ALA A 12 1.238 0.268 -2.592 1.00 13.21 C ATOM 171 O ALA A 12 0.352 1.003 -2.147 1.00 11.21 O ATOM 172 CB ALA A 12 3.455 -0.203 -1.487 1.00 44.44 C ATOM 0 H ALA A 12 2.892 -2.448 -2.344 1.00 63.22 H new ATOM 0 HA ALA A 12 1.514 -0.653 -0.686 1.00 45.43 H new ATOM 0 HB1 ALA A 12 3.464 0.820 -1.111 1.00 44.44 H new ATOM 0 HB2 ALA A 12 3.966 -0.855 -0.778 1.00 44.44 H new ATOM 0 HB3 ALA A 12 3.967 -0.241 -2.449 1.00 44.44 H new ATOM 178 N ILE A 13 1.567 0.179 -3.899 1.00 70.23 N ATOM 179 CA ILE A 13 0.946 0.986 -4.962 1.00 20.20 C ATOM 180 C ILE A 13 -0.583 0.747 -4.989 1.00 50.41 C ATOM 181 O ILE A 13 -1.363 1.702 -5.034 1.00 22.12 O ATOM 182 CB ILE A 13 1.577 0.640 -6.373 1.00 64.03 C ATOM 183 CG1 ILE A 13 3.134 0.838 -6.345 1.00 45.34 C ATOM 184 CG2 ILE A 13 0.925 1.472 -7.513 1.00 31.02 C ATOM 185 CD1 ILE A 13 3.865 0.390 -7.609 1.00 15.13 C ATOM 0 H ILE A 13 2.280 -0.463 -4.245 1.00 70.23 H new ATOM 0 HA ILE A 13 1.137 2.038 -4.749 1.00 20.20 H new ATOM 0 HB ILE A 13 1.369 -0.409 -6.582 1.00 64.03 H new ATOM 0 HG12 ILE A 13 3.348 1.893 -6.175 1.00 45.34 H new ATOM 0 HG13 ILE A 13 3.540 0.289 -5.495 1.00 45.34 H new ATOM 0 HG21 ILE A 13 1.384 1.207 -8.465 1.00 31.02 H new ATOM 0 HG22 ILE A 13 -0.143 1.259 -7.553 1.00 31.02 H new ATOM 0 HG23 ILE A 13 1.076 2.534 -7.321 1.00 31.02 H new ATOM 0 HD11 ILE A 13 4.934 0.567 -7.493 1.00 15.13 H new ATOM 0 HD12 ILE A 13 3.689 -0.673 -7.774 1.00 15.13 H new ATOM 0 HD13 ILE A 13 3.494 0.956 -8.464 1.00 15.13 H new ATOM 197 N ALA A 14 -0.980 -0.541 -4.896 1.00 33.21 N ATOM 198 CA ALA A 14 -2.390 -0.979 -4.947 1.00 21.33 C ATOM 199 C ALA A 14 -3.206 -0.493 -3.739 1.00 11.22 C ATOM 200 O ALA A 14 -4.411 -0.257 -3.862 1.00 34.31 O ATOM 201 CB ALA A 14 -2.460 -2.503 -5.060 1.00 13.42 C ATOM 0 H ALA A 14 -0.323 -1.313 -4.782 1.00 33.21 H new ATOM 0 HA ALA A 14 -2.837 -0.525 -5.831 1.00 21.33 H new ATOM 0 HB1 ALA A 14 -3.503 -2.818 -5.097 1.00 13.42 H new ATOM 0 HB2 ALA A 14 -1.952 -2.824 -5.969 1.00 13.42 H new ATOM 0 HB3 ALA A 14 -1.975 -2.955 -4.194 1.00 13.42 H new ATOM 207 N ILE A 15 -2.535 -0.344 -2.581 1.00 75.10 N ATOM 208 CA ILE A 15 -3.148 0.198 -1.356 1.00 31.31 C ATOM 209 C ILE A 15 -3.548 1.670 -1.564 1.00 3.04 C ATOM 210 O ILE A 15 -4.644 2.074 -1.168 1.00 74.33 O ATOM 211 CB ILE A 15 -2.181 0.018 -0.108 1.00 61.52 C ATOM 212 CG1 ILE A 15 -2.112 -1.494 0.288 1.00 41.31 C ATOM 213 CG2 ILE A 15 -2.581 0.903 1.107 1.00 51.14 C ATOM 214 CD1 ILE A 15 -1.148 -1.830 1.413 1.00 20.43 C ATOM 0 H ILE A 15 -1.553 -0.596 -2.470 1.00 75.10 H new ATOM 0 HA ILE A 15 -4.056 -0.366 -1.141 1.00 31.31 H new ATOM 0 HB ILE A 15 -1.191 0.361 -0.408 1.00 61.52 H new ATOM 0 HG12 ILE A 15 -3.110 -1.822 0.578 1.00 41.31 H new ATOM 0 HG13 ILE A 15 -1.830 -2.070 -0.593 1.00 41.31 H new ATOM 0 HG21 ILE A 15 -1.882 0.734 1.926 1.00 51.14 H new ATOM 0 HG22 ILE A 15 -2.553 1.953 0.817 1.00 51.14 H new ATOM 0 HG23 ILE A 15 -3.589 0.643 1.431 1.00 51.14 H new ATOM 0 HD11 ILE A 15 -1.177 -2.902 1.609 1.00 20.43 H new ATOM 0 HD12 ILE A 15 -0.137 -1.541 1.125 1.00 20.43 H new ATOM 0 HD13 ILE A 15 -1.437 -1.289 2.314 1.00 20.43 H new ATOM 226 N PHE A 16 -2.674 2.445 -2.234 1.00 35.45 N ATOM 227 CA PHE A 16 -2.941 3.865 -2.545 1.00 63.33 C ATOM 228 C PHE A 16 -3.967 4.004 -3.683 1.00 61.01 C ATOM 229 O PHE A 16 -4.746 4.963 -3.704 1.00 3.10 O ATOM 230 CB PHE A 16 -1.631 4.608 -2.907 1.00 35.12 C ATOM 231 CG PHE A 16 -0.583 4.551 -1.803 1.00 0.50 C ATOM 232 CD1 PHE A 16 -0.862 5.052 -0.531 1.00 14.33 C ATOM 233 CD2 PHE A 16 0.674 4.006 -2.035 1.00 2.30 C ATOM 234 CE1 PHE A 16 0.086 5.003 0.470 1.00 30.54 C ATOM 235 CE2 PHE A 16 1.612 3.956 -1.039 1.00 4.11 C ATOM 236 CZ PHE A 16 1.324 4.455 0.214 1.00 0.35 C ATOM 0 H PHE A 16 -1.772 2.110 -2.572 1.00 35.45 H new ATOM 0 HA PHE A 16 -3.363 4.323 -1.650 1.00 63.33 H new ATOM 0 HB2 PHE A 16 -1.215 4.175 -3.817 1.00 35.12 H new ATOM 0 HB3 PHE A 16 -1.861 5.650 -3.127 1.00 35.12 H new ATOM 0 HD1 PHE A 16 -1.831 5.483 -0.328 1.00 14.33 H new ATOM 0 HD2 PHE A 16 0.914 3.617 -3.013 1.00 2.30 H new ATOM 0 HE1 PHE A 16 -0.141 5.393 1.451 1.00 30.54 H new ATOM 0 HE2 PHE A 16 2.582 3.524 -1.235 1.00 4.11 H new ATOM 0 HZ PHE A 16 2.069 4.416 0.995 1.00 0.35 H new ATOM 246 N GLN A 17 -3.968 3.026 -4.618 1.00 13.43 N ATOM 247 CA GLN A 17 -4.942 2.969 -5.722 1.00 75.05 C ATOM 248 C GLN A 17 -6.357 2.724 -5.174 1.00 14.55 C ATOM 249 O GLN A 17 -7.328 3.301 -5.672 1.00 71.13 O ATOM 250 CB GLN A 17 -4.547 1.883 -6.763 1.00 63.55 C ATOM 251 CG GLN A 17 -3.256 2.199 -7.550 1.00 5.22 C ATOM 252 CD GLN A 17 -2.877 1.115 -8.566 1.00 50.42 C ATOM 253 OE1 GLN A 17 -3.276 1.163 -9.726 1.00 45.34 O ATOM 254 NE2 GLN A 17 -2.101 0.131 -8.138 1.00 35.41 N ATOM 0 H GLN A 17 -3.295 2.259 -4.625 1.00 13.43 H new ATOM 0 HA GLN A 17 -4.935 3.931 -6.235 1.00 75.05 H new ATOM 0 HB2 GLN A 17 -4.421 0.931 -6.248 1.00 63.55 H new ATOM 0 HB3 GLN A 17 -5.368 1.757 -7.469 1.00 63.55 H new ATOM 0 HG2 GLN A 17 -3.382 3.147 -8.073 1.00 5.22 H new ATOM 0 HG3 GLN A 17 -2.434 2.329 -6.846 1.00 5.22 H new ATOM 0 HE21 GLN A 17 -1.784 0.116 -7.169 1.00 35.41 H new ATOM 0 HE22 GLN A 17 -1.820 -0.612 -8.778 1.00 35.41 H new ATOM 263 N LEU A 18 -6.460 1.889 -4.123 1.00 3.43 N ATOM 264 CA LEU A 18 -7.726 1.687 -3.409 1.00 43.41 C ATOM 265 C LEU A 18 -8.071 2.916 -2.558 1.00 64.42 C ATOM 266 O LEU A 18 -9.228 3.312 -2.523 1.00 12.23 O ATOM 267 CB LEU A 18 -7.713 0.409 -2.534 1.00 51.43 C ATOM 268 CG LEU A 18 -7.738 -0.954 -3.293 1.00 63.40 C ATOM 269 CD1 LEU A 18 -7.758 -2.133 -2.304 1.00 53.05 C ATOM 270 CD2 LEU A 18 -8.924 -1.030 -4.283 1.00 63.35 C ATOM 0 H LEU A 18 -5.680 1.346 -3.753 1.00 3.43 H new ATOM 0 HA LEU A 18 -8.499 1.551 -4.166 1.00 43.41 H new ATOM 0 HB2 LEU A 18 -6.822 0.434 -1.907 1.00 51.43 H new ATOM 0 HB3 LEU A 18 -8.574 0.444 -1.866 1.00 51.43 H new ATOM 0 HG LEU A 18 -6.822 -1.024 -3.880 1.00 63.40 H new ATOM 0 HD11 LEU A 18 -7.775 -3.072 -2.857 1.00 53.05 H new ATOM 0 HD12 LEU A 18 -6.867 -2.097 -1.677 1.00 53.05 H new ATOM 0 HD13 LEU A 18 -8.646 -2.066 -1.676 1.00 53.05 H new ATOM 0 HD21 LEU A 18 -8.910 -1.993 -4.794 1.00 63.35 H new ATOM 0 HD22 LEU A 18 -9.861 -0.922 -3.737 1.00 63.35 H new ATOM 0 HD23 LEU A 18 -8.837 -0.229 -5.017 1.00 63.35 H new ATOM 282 N TRP A 19 -7.057 3.541 -1.920 1.00 63.11 N ATOM 283 CA TRP A 19 -7.265 4.692 -1.003 1.00 74.43 C ATOM 284 C TRP A 19 -7.850 5.936 -1.705 1.00 12.52 C ATOM 285 O TRP A 19 -8.441 6.802 -1.043 1.00 71.14 O ATOM 286 CB TRP A 19 -5.963 5.034 -0.217 1.00 31.22 C ATOM 287 CG TRP A 19 -5.737 4.177 1.012 1.00 75.01 C ATOM 288 CD1 TRP A 19 -6.562 3.201 1.502 1.00 34.44 C ATOM 289 CD2 TRP A 19 -4.639 4.251 1.927 1.00 50.41 C ATOM 290 NE1 TRP A 19 -6.032 2.657 2.640 1.00 54.23 N ATOM 291 CE2 TRP A 19 -4.856 3.285 2.923 1.00 63.01 C ATOM 292 CE3 TRP A 19 -3.489 5.037 1.995 1.00 21.03 C ATOM 293 CZ2 TRP A 19 -3.972 3.083 3.970 1.00 53.12 C ATOM 294 CZ3 TRP A 19 -2.609 4.840 3.040 1.00 52.11 C ATOM 295 CH2 TRP A 19 -2.859 3.869 4.017 1.00 43.55 C ATOM 0 H TRP A 19 -6.079 3.268 -2.022 1.00 63.11 H new ATOM 0 HA TRP A 19 -8.020 4.374 -0.284 1.00 74.43 H new ATOM 0 HB2 TRP A 19 -5.109 4.924 -0.885 1.00 31.22 H new ATOM 0 HB3 TRP A 19 -5.998 6.081 0.085 1.00 31.22 H new ATOM 0 HD1 TRP A 19 -7.498 2.903 1.054 1.00 34.44 H new ATOM 0 HE1 TRP A 19 -6.449 1.904 3.187 1.00 54.23 H new ATOM 0 HE3 TRP A 19 -3.290 5.787 1.243 1.00 21.03 H new ATOM 0 HZ2 TRP A 19 -4.158 2.330 4.722 1.00 53.12 H new ATOM 0 HZ3 TRP A 19 -1.715 5.443 3.105 1.00 52.11 H new ATOM 0 HH2 TRP A 19 -2.155 3.740 4.826 1.00 43.55 H new ATOM 306 N LYS A 20 -7.693 6.019 -3.033 1.00 14.51 N ATOM 307 CA LYS A 20 -8.337 7.069 -3.848 1.00 71.21 C ATOM 308 C LYS A 20 -9.577 6.515 -4.596 1.00 21.23 C ATOM 309 O LYS A 20 -10.502 7.277 -4.901 1.00 64.10 O ATOM 310 CB LYS A 20 -7.308 7.720 -4.807 1.00 55.45 C ATOM 311 CG LYS A 20 -6.562 6.737 -5.731 1.00 44.23 C ATOM 312 CD LYS A 20 -5.502 7.439 -6.622 1.00 22.12 C ATOM 313 CE LYS A 20 -4.702 6.448 -7.480 1.00 54.12 C ATOM 314 NZ LYS A 20 -3.799 7.129 -8.440 1.00 53.43 N ATOM 0 H LYS A 20 -7.122 5.369 -3.573 1.00 14.51 H new ATOM 0 HA LYS A 20 -8.700 7.853 -3.184 1.00 71.21 H new ATOM 0 HB2 LYS A 20 -7.825 8.454 -5.425 1.00 55.45 H new ATOM 0 HB3 LYS A 20 -6.574 8.264 -4.212 1.00 55.45 H new ATOM 0 HG2 LYS A 20 -6.073 5.974 -5.125 1.00 44.23 H new ATOM 0 HG3 LYS A 20 -7.283 6.224 -6.367 1.00 44.23 H new ATOM 0 HD2 LYS A 20 -5.999 8.159 -7.273 1.00 22.12 H new ATOM 0 HD3 LYS A 20 -4.816 8.002 -5.989 1.00 22.12 H new ATOM 0 HE2 LYS A 20 -4.114 5.801 -6.829 1.00 54.12 H new ATOM 0 HE3 LYS A 20 -5.392 5.807 -8.028 1.00 54.12 H new ATOM 0 HZ1 LYS A 20 -2.900 6.610 -8.499 1.00 53.43 H new ATOM 0 HZ2 LYS A 20 -4.246 7.155 -9.379 1.00 53.43 H new ATOM 0 HZ3 LYS A 20 -3.617 8.100 -8.116 1.00 53.43 H new ATOM 328 N ASN A 21 -9.611 5.191 -4.855 1.00 33.14 N ATOM 329 CA ASN A 21 -10.756 4.520 -5.527 1.00 74.14 C ATOM 330 C ASN A 21 -10.937 3.085 -4.960 1.00 4.14 C ATOM 331 O ASN A 21 -10.243 2.162 -5.397 1.00 63.14 O ATOM 332 CB ASN A 21 -10.561 4.471 -7.071 1.00 22.42 C ATOM 333 CG ASN A 21 -11.703 3.750 -7.805 1.00 64.44 C ATOM 334 OD1 ASN A 21 -12.865 3.824 -7.408 1.00 15.43 O ATOM 335 ND2 ASN A 21 -11.374 3.018 -8.854 1.00 73.10 N ATOM 0 H ASN A 21 -8.852 4.555 -4.608 1.00 33.14 H new ATOM 0 HA ASN A 21 -11.655 5.102 -5.325 1.00 74.14 H new ATOM 0 HB2 ASN A 21 -10.479 5.489 -7.452 1.00 22.42 H new ATOM 0 HB3 ASN A 21 -9.620 3.969 -7.296 1.00 22.42 H new ATOM 0 HD21 ASN A 21 -12.092 2.496 -9.357 1.00 73.10 H new ATOM 0 HD22 ASN A 21 -10.402 2.975 -9.161 1.00 73.10 H new ATOM 342 N PRO A 22 -11.858 2.885 -3.953 1.00 64.44 N ATOM 343 CA PRO A 22 -12.066 1.564 -3.282 1.00 74.14 C ATOM 344 C PRO A 22 -12.568 0.471 -4.249 1.00 15.22 C ATOM 345 O PRO A 22 -12.288 -0.717 -4.065 1.00 71.02 O ATOM 346 CB PRO A 22 -13.134 1.883 -2.199 1.00 5.32 C ATOM 347 CG PRO A 22 -13.846 3.091 -2.726 1.00 22.42 C ATOM 348 CD PRO A 22 -12.770 3.921 -3.389 1.00 73.51 C ATOM 0 HA PRO A 22 -11.137 1.160 -2.880 1.00 74.14 H new ATOM 0 HB2 PRO A 22 -13.819 1.047 -2.058 1.00 5.32 H new ATOM 0 HB3 PRO A 22 -12.673 2.084 -1.232 1.00 5.32 H new ATOM 0 HG2 PRO A 22 -14.624 2.812 -3.437 1.00 22.42 H new ATOM 0 HG3 PRO A 22 -14.332 3.644 -1.923 1.00 22.42 H new ATOM 0 HD2 PRO A 22 -13.178 4.567 -4.166 1.00 73.51 H new ATOM 0 HD3 PRO A 22 -12.258 4.566 -2.675 1.00 73.51 H new ATOM 356 N THR A 23 -13.287 0.903 -5.292 1.00 31.40 N ATOM 357 CA THR A 23 -13.930 0.014 -6.268 1.00 73.44 C ATOM 358 C THR A 23 -13.020 -0.258 -7.490 1.00 32.43 C ATOM 359 O THR A 23 -13.505 -0.658 -8.553 1.00 60.32 O ATOM 360 CB THR A 23 -15.310 0.629 -6.692 1.00 42.22 C ATOM 361 OG1 THR A 23 -15.142 2.013 -7.058 1.00 24.34 O ATOM 362 CG2 THR A 23 -16.346 0.528 -5.555 1.00 13.31 C ATOM 0 H THR A 23 -13.441 1.893 -5.485 1.00 31.40 H new ATOM 0 HA THR A 23 -14.103 -0.956 -5.802 1.00 73.44 H new ATOM 0 HB THR A 23 -15.677 0.060 -7.546 1.00 42.22 H new ATOM 0 HG1 THR A 23 -14.192 2.197 -7.214 1.00 24.34 H new ATOM 0 HG21 THR A 23 -17.290 0.963 -5.883 1.00 13.31 H new ATOM 0 HG22 THR A 23 -16.500 -0.519 -5.295 1.00 13.31 H new ATOM 0 HG23 THR A 23 -15.981 1.068 -4.681 1.00 13.31 H new ATOM 370 N ASP A 24 -11.691 -0.073 -7.309 1.00 61.30 N ATOM 371 CA ASP A 24 -10.695 -0.394 -8.345 1.00 32.22 C ATOM 372 C ASP A 24 -10.457 -1.926 -8.361 1.00 1.13 C ATOM 373 O ASP A 24 -9.892 -2.465 -7.393 1.00 35.32 O ATOM 374 CB ASP A 24 -9.363 0.366 -8.100 1.00 54.32 C ATOM 375 CG ASP A 24 -8.435 0.287 -9.318 1.00 74.30 C ATOM 376 OD1 ASP A 24 -8.579 1.135 -10.224 1.00 14.34 O ATOM 377 OD2 ASP A 24 -7.593 -0.632 -9.407 1.00 0.05 O ATOM 0 H ASP A 24 -11.288 0.299 -6.449 1.00 61.30 H new ATOM 0 HA ASP A 24 -11.076 -0.074 -9.315 1.00 32.22 H new ATOM 0 HB2 ASP A 24 -9.576 1.410 -7.872 1.00 54.32 H new ATOM 0 HB3 ASP A 24 -8.859 -0.054 -7.230 1.00 54.32 H new ATOM 382 N PRO A 25 -10.876 -2.646 -9.460 1.00 64.55 N ATOM 383 CA PRO A 25 -10.842 -4.128 -9.510 1.00 0.45 C ATOM 384 C PRO A 25 -9.407 -4.695 -9.541 1.00 70.15 C ATOM 385 O PRO A 25 -9.146 -5.744 -8.954 1.00 63.51 O ATOM 386 CB PRO A 25 -11.609 -4.456 -10.820 1.00 52.20 C ATOM 387 CG PRO A 25 -11.405 -3.249 -11.688 1.00 44.24 C ATOM 388 CD PRO A 25 -11.394 -2.066 -10.735 1.00 43.44 C ATOM 0 HA PRO A 25 -11.284 -4.578 -8.621 1.00 0.45 H new ATOM 0 HB2 PRO A 25 -11.218 -5.356 -11.294 1.00 52.20 H new ATOM 0 HB3 PRO A 25 -12.667 -4.632 -10.627 1.00 52.20 H new ATOM 0 HG2 PRO A 25 -10.468 -3.317 -12.242 1.00 44.24 H new ATOM 0 HG3 PRO A 25 -12.204 -3.154 -12.423 1.00 44.24 H new ATOM 0 HD2 PRO A 25 -10.753 -1.263 -11.100 1.00 43.44 H new ATOM 0 HD3 PRO A 25 -12.391 -1.645 -10.608 1.00 43.44 H new ATOM 396 N GLU A 26 -8.491 -3.964 -10.209 1.00 74.21 N ATOM 397 CA GLU A 26 -7.102 -4.405 -10.442 1.00 24.23 C ATOM 398 C GLU A 26 -6.301 -4.412 -9.133 1.00 70.24 C ATOM 399 O GLU A 26 -5.651 -5.413 -8.796 1.00 61.45 O ATOM 400 CB GLU A 26 -6.416 -3.480 -11.482 1.00 72.54 C ATOM 401 CG GLU A 26 -7.033 -3.543 -12.887 1.00 23.34 C ATOM 402 CD GLU A 26 -6.361 -2.571 -13.875 1.00 55.33 C ATOM 403 OE1 GLU A 26 -5.245 -2.868 -14.349 1.00 42.01 O ATOM 404 OE2 GLU A 26 -6.933 -1.496 -14.158 1.00 1.15 O ATOM 0 H GLU A 26 -8.696 -3.046 -10.604 1.00 74.21 H new ATOM 0 HA GLU A 26 -7.128 -5.423 -10.831 1.00 24.23 H new ATOM 0 HB2 GLU A 26 -6.463 -2.452 -11.123 1.00 72.54 H new ATOM 0 HB3 GLU A 26 -5.361 -3.747 -11.549 1.00 72.54 H new ATOM 0 HG2 GLU A 26 -6.950 -4.560 -13.271 1.00 23.34 H new ATOM 0 HG3 GLU A 26 -8.096 -3.312 -12.823 1.00 23.34 H new ATOM 411 N ALA A 27 -6.395 -3.285 -8.397 1.00 20.00 N ATOM 412 CA ALA A 27 -5.650 -3.053 -7.153 1.00 71.54 C ATOM 413 C ALA A 27 -5.996 -4.111 -6.096 1.00 12.02 C ATOM 414 O ALA A 27 -5.109 -4.789 -5.578 1.00 64.43 O ATOM 415 CB ALA A 27 -5.928 -1.634 -6.629 1.00 24.21 C ATOM 0 H ALA A 27 -6.999 -2.505 -8.657 1.00 20.00 H new ATOM 0 HA ALA A 27 -4.585 -3.141 -7.365 1.00 71.54 H new ATOM 0 HB1 ALA A 27 -5.371 -1.471 -5.706 1.00 24.21 H new ATOM 0 HB2 ALA A 27 -5.616 -0.903 -7.375 1.00 24.21 H new ATOM 0 HB3 ALA A 27 -6.994 -1.521 -6.434 1.00 24.21 H new ATOM 421 N GLN A 28 -7.306 -4.281 -5.836 1.00 10.32 N ATOM 422 CA GLN A 28 -7.805 -5.204 -4.802 1.00 24.21 C ATOM 423 C GLN A 28 -7.546 -6.682 -5.184 1.00 50.13 C ATOM 424 O GLN A 28 -7.287 -7.503 -4.304 1.00 51.44 O ATOM 425 CB GLN A 28 -9.315 -4.947 -4.536 1.00 22.15 C ATOM 426 CG GLN A 28 -10.249 -5.242 -5.731 1.00 71.41 C ATOM 427 CD GLN A 28 -11.686 -4.743 -5.556 1.00 43.40 C ATOM 428 OE1 GLN A 28 -12.626 -5.367 -6.048 1.00 34.52 O ATOM 429 NE2 GLN A 28 -11.870 -3.587 -4.924 1.00 31.11 N ATOM 0 H GLN A 28 -8.044 -3.784 -6.335 1.00 10.32 H new ATOM 0 HA GLN A 28 -7.254 -5.011 -3.881 1.00 24.21 H new ATOM 0 HB2 GLN A 28 -9.628 -5.559 -3.690 1.00 22.15 H new ATOM 0 HB3 GLN A 28 -9.444 -3.905 -4.242 1.00 22.15 H new ATOM 0 HG2 GLN A 28 -9.827 -4.786 -6.626 1.00 71.41 H new ATOM 0 HG3 GLN A 28 -10.270 -6.318 -5.901 1.00 71.41 H new ATOM 0 HE21 GLN A 28 -11.073 -3.091 -4.526 1.00 31.11 H new ATOM 0 HE22 GLN A 28 -12.808 -3.197 -4.838 1.00 31.11 H new ATOM 438 N GLU A 29 -7.585 -6.998 -6.501 1.00 52.14 N ATOM 439 CA GLU A 29 -7.407 -8.379 -6.990 1.00 24.33 C ATOM 440 C GLU A 29 -5.960 -8.851 -6.797 1.00 3.44 C ATOM 441 O GLU A 29 -5.739 -9.976 -6.349 1.00 55.15 O ATOM 442 CB GLU A 29 -7.821 -8.520 -8.480 1.00 13.55 C ATOM 443 CG GLU A 29 -7.726 -9.965 -9.022 1.00 60.41 C ATOM 444 CD GLU A 29 -8.252 -10.134 -10.455 1.00 74.15 C ATOM 445 OE1 GLU A 29 -7.491 -9.907 -11.410 1.00 45.12 O ATOM 446 OE2 GLU A 29 -9.437 -10.482 -10.631 1.00 22.23 O ATOM 0 H GLU A 29 -7.738 -6.312 -7.240 1.00 52.14 H new ATOM 0 HA GLU A 29 -8.064 -9.014 -6.396 1.00 24.33 H new ATOM 0 HB2 GLU A 29 -8.845 -8.165 -8.598 1.00 13.55 H new ATOM 0 HB3 GLU A 29 -7.187 -7.873 -9.086 1.00 13.55 H new ATOM 0 HG2 GLU A 29 -6.685 -10.286 -8.988 1.00 60.41 H new ATOM 0 HG3 GLU A 29 -8.285 -10.627 -8.361 1.00 60.41 H new ATOM 453 N LEU A 30 -4.971 -7.982 -7.116 1.00 53.41 N ATOM 454 CA LEU A 30 -3.551 -8.342 -6.966 1.00 21.22 C ATOM 455 C LEU A 30 -3.206 -8.501 -5.468 1.00 74.22 C ATOM 456 O LEU A 30 -2.409 -9.367 -5.110 1.00 22.34 O ATOM 457 CB LEU A 30 -2.604 -7.343 -7.722 1.00 31.41 C ATOM 458 CG LEU A 30 -2.410 -5.880 -7.150 1.00 54.05 C ATOM 459 CD1 LEU A 30 -1.286 -5.802 -6.085 1.00 11.32 C ATOM 460 CD2 LEU A 30 -2.155 -4.850 -8.279 1.00 10.03 C ATOM 0 H LEU A 30 -5.132 -7.040 -7.474 1.00 53.41 H new ATOM 0 HA LEU A 30 -3.380 -9.306 -7.445 1.00 21.22 H new ATOM 0 HB2 LEU A 30 -1.619 -7.806 -7.781 1.00 31.41 H new ATOM 0 HB3 LEU A 30 -2.974 -7.250 -8.743 1.00 31.41 H new ATOM 0 HG LEU A 30 -3.348 -5.624 -6.657 1.00 54.05 H new ATOM 0 HD11 LEU A 30 -1.195 -4.777 -5.726 1.00 11.32 H new ATOM 0 HD12 LEU A 30 -1.530 -6.459 -5.250 1.00 11.32 H new ATOM 0 HD13 LEU A 30 -0.341 -6.116 -6.529 1.00 11.32 H new ATOM 0 HD21 LEU A 30 -2.027 -3.858 -7.845 1.00 10.03 H new ATOM 0 HD22 LEU A 30 -1.253 -5.126 -8.826 1.00 10.03 H new ATOM 0 HD23 LEU A 30 -3.005 -4.840 -8.961 1.00 10.03 H new ATOM 472 N LEU A 31 -3.862 -7.676 -4.603 1.00 43.43 N ATOM 473 CA LEU A 31 -3.745 -7.775 -3.125 1.00 52.42 C ATOM 474 C LEU A 31 -4.331 -9.100 -2.599 1.00 44.04 C ATOM 475 O LEU A 31 -3.882 -9.617 -1.580 1.00 31.53 O ATOM 476 CB LEU A 31 -4.457 -6.584 -2.415 1.00 30.44 C ATOM 477 CG LEU A 31 -3.878 -5.164 -2.690 1.00 22.43 C ATOM 478 CD1 LEU A 31 -4.651 -4.070 -1.926 1.00 31.20 C ATOM 479 CD2 LEU A 31 -2.380 -5.105 -2.364 1.00 75.23 C ATOM 0 H LEU A 31 -4.483 -6.928 -4.912 1.00 43.43 H new ATOM 0 HA LEU A 31 -2.680 -7.741 -2.895 1.00 52.42 H new ATOM 0 HB2 LEU A 31 -5.506 -6.588 -2.711 1.00 30.44 H new ATOM 0 HB3 LEU A 31 -4.429 -6.762 -1.340 1.00 30.44 H new ATOM 0 HG LEU A 31 -4.003 -4.967 -3.755 1.00 22.43 H new ATOM 0 HD11 LEU A 31 -4.215 -3.096 -2.146 1.00 31.20 H new ATOM 0 HD12 LEU A 31 -5.696 -4.078 -2.237 1.00 31.20 H new ATOM 0 HD13 LEU A 31 -4.590 -4.262 -0.855 1.00 31.20 H new ATOM 0 HD21 LEU A 31 -2.003 -4.102 -2.566 1.00 75.23 H new ATOM 0 HD22 LEU A 31 -2.227 -5.346 -1.312 1.00 75.23 H new ATOM 0 HD23 LEU A 31 -1.844 -5.825 -2.983 1.00 75.23 H new ATOM 491 N ASN A 32 -5.349 -9.627 -3.299 1.00 4.13 N ATOM 492 CA ASN A 32 -5.981 -10.922 -2.960 1.00 30.34 C ATOM 493 C ASN A 32 -4.994 -12.079 -3.201 1.00 54.41 C ATOM 494 O ASN A 32 -4.992 -13.084 -2.472 1.00 32.45 O ATOM 495 CB ASN A 32 -7.267 -11.120 -3.814 1.00 24.41 C ATOM 496 CG ASN A 32 -8.069 -12.375 -3.450 1.00 64.33 C ATOM 497 OD1 ASN A 32 -7.840 -13.463 -3.986 1.00 72.23 O ATOM 498 ND2 ASN A 32 -9.029 -12.227 -2.554 1.00 2.32 N ATOM 0 H ASN A 32 -5.759 -9.172 -4.115 1.00 4.13 H new ATOM 0 HA ASN A 32 -6.254 -10.918 -1.905 1.00 30.34 H new ATOM 0 HB2 ASN A 32 -7.907 -10.245 -3.697 1.00 24.41 H new ATOM 0 HB3 ASN A 32 -6.988 -11.172 -4.866 1.00 24.41 H new ATOM 0 HD21 ASN A 32 -9.605 -13.025 -2.288 1.00 2.32 H new ATOM 0 HD22 ASN A 32 -9.194 -11.315 -2.129 1.00 2.32 H new ATOM 505 N LYS A 33 -4.150 -11.905 -4.234 1.00 73.31 N ATOM 506 CA LYS A 33 -3.214 -12.937 -4.694 1.00 21.31 C ATOM 507 C LYS A 33 -1.951 -12.975 -3.823 1.00 33.12 C ATOM 508 O LYS A 33 -1.544 -14.040 -3.369 1.00 44.20 O ATOM 509 CB LYS A 33 -2.829 -12.653 -6.171 1.00 35.55 C ATOM 510 CG LYS A 33 -4.038 -12.572 -7.133 1.00 52.53 C ATOM 511 CD LYS A 33 -3.649 -12.172 -8.578 1.00 33.42 C ATOM 512 CE LYS A 33 -2.741 -13.206 -9.267 1.00 35.20 C ATOM 513 NZ LYS A 33 -3.369 -14.557 -9.320 1.00 35.31 N ATOM 0 H LYS A 33 -4.101 -11.040 -4.773 1.00 73.31 H new ATOM 0 HA LYS A 33 -3.702 -13.908 -4.615 1.00 21.31 H new ATOM 0 HB2 LYS A 33 -2.277 -11.714 -6.218 1.00 35.55 H new ATOM 0 HB3 LYS A 33 -2.155 -13.436 -6.517 1.00 35.55 H new ATOM 0 HG2 LYS A 33 -4.541 -13.539 -7.155 1.00 52.53 H new ATOM 0 HG3 LYS A 33 -4.754 -11.848 -6.744 1.00 52.53 H new ATOM 0 HD2 LYS A 33 -4.556 -12.042 -9.169 1.00 33.42 H new ATOM 0 HD3 LYS A 33 -3.141 -11.208 -8.557 1.00 33.42 H new ATOM 0 HE2 LYS A 33 -2.515 -12.872 -10.280 1.00 35.20 H new ATOM 0 HE3 LYS A 33 -1.793 -13.268 -8.733 1.00 35.20 H new ATOM 0 HZ1 LYS A 33 -2.796 -15.183 -9.922 1.00 35.31 H new ATOM 0 HZ2 LYS A 33 -3.422 -14.953 -8.360 1.00 35.31 H new ATOM 0 HZ3 LYS A 33 -4.328 -14.479 -9.716 1.00 35.31 H new ATOM 527 N ILE A 34 -1.373 -11.794 -3.541 1.00 60.50 N ATOM 528 CA ILE A 34 -0.026 -11.688 -2.925 1.00 52.10 C ATOM 529 C ILE A 34 -0.111 -11.442 -1.405 1.00 4.10 C ATOM 530 O ILE A 34 0.743 -11.922 -0.646 1.00 42.22 O ATOM 531 CB ILE A 34 0.825 -10.559 -3.621 1.00 72.12 C ATOM 532 CG1 ILE A 34 0.178 -9.147 -3.417 1.00 73.32 C ATOM 533 CG2 ILE A 34 1.019 -10.887 -5.127 1.00 41.44 C ATOM 534 CD1 ILE A 34 0.824 -8.014 -4.186 1.00 5.12 C ATOM 0 H ILE A 34 -1.814 -10.894 -3.728 1.00 60.50 H new ATOM 0 HA ILE A 34 0.475 -12.644 -3.078 1.00 52.10 H new ATOM 0 HB ILE A 34 1.807 -10.528 -3.149 1.00 72.12 H new ATOM 0 HG12 ILE A 34 -0.872 -9.204 -3.703 1.00 73.32 H new ATOM 0 HG13 ILE A 34 0.207 -8.904 -2.355 1.00 73.32 H new ATOM 0 HG21 ILE A 34 1.608 -10.100 -5.598 1.00 41.44 H new ATOM 0 HG22 ILE A 34 1.539 -11.840 -5.228 1.00 41.44 H new ATOM 0 HG23 ILE A 34 0.046 -10.952 -5.614 1.00 41.44 H new ATOM 0 HD11 ILE A 34 0.299 -7.083 -3.972 1.00 5.12 H new ATOM 0 HD12 ILE A 34 1.867 -7.919 -3.886 1.00 5.12 H new ATOM 0 HD13 ILE A 34 0.772 -8.223 -5.254 1.00 5.12 H new ATOM 546 N LEU A 35 -1.132 -10.673 -0.977 1.00 23.43 N ATOM 547 CA LEU A 35 -1.395 -10.402 0.449 1.00 41.33 C ATOM 548 C LEU A 35 -2.555 -11.282 0.929 1.00 74.10 C ATOM 549 O LEU A 35 -2.988 -12.206 0.226 1.00 15.22 O ATOM 550 CB LEU A 35 -1.727 -8.892 0.694 1.00 41.22 C ATOM 551 CG LEU A 35 -0.698 -7.828 0.189 1.00 14.51 C ATOM 552 CD1 LEU A 35 -1.052 -6.423 0.720 1.00 34.12 C ATOM 553 CD2 LEU A 35 0.750 -8.202 0.548 1.00 22.51 C ATOM 0 H LEU A 35 -1.795 -10.224 -1.609 1.00 23.43 H new ATOM 0 HA LEU A 35 -0.494 -10.638 1.016 1.00 41.33 H new ATOM 0 HB2 LEU A 35 -2.687 -8.679 0.223 1.00 41.22 H new ATOM 0 HB3 LEU A 35 -1.859 -8.748 1.766 1.00 41.22 H new ATOM 0 HG LEU A 35 -0.763 -7.812 -0.899 1.00 14.51 H new ATOM 0 HD11 LEU A 35 -0.321 -5.701 0.355 1.00 34.12 H new ATOM 0 HD12 LEU A 35 -2.046 -6.142 0.371 1.00 34.12 H new ATOM 0 HD13 LEU A 35 -1.039 -6.432 1.810 1.00 34.12 H new ATOM 0 HD21 LEU A 35 1.427 -7.433 0.176 1.00 22.51 H new ATOM 0 HD22 LEU A 35 0.848 -8.279 1.631 1.00 22.51 H new ATOM 0 HD23 LEU A 35 1.002 -9.159 0.092 1.00 22.51 H new ATOM 565 N SER A 36 -3.029 -11.000 2.146 1.00 14.52 N ATOM 566 CA SER A 36 -4.262 -11.575 2.664 1.00 62.12 C ATOM 567 C SER A 36 -5.479 -10.915 1.958 1.00 44.33 C ATOM 568 O SER A 36 -5.471 -9.691 1.732 1.00 70.32 O ATOM 569 CB SER A 36 -4.341 -11.343 4.188 1.00 14.41 C ATOM 570 OG SER A 36 -3.134 -11.699 4.833 1.00 50.51 O ATOM 0 H SER A 36 -2.564 -10.366 2.796 1.00 14.52 H new ATOM 0 HA SER A 36 -4.276 -12.647 2.468 1.00 62.12 H new ATOM 0 HB2 SER A 36 -4.564 -10.295 4.386 1.00 14.41 H new ATOM 0 HB3 SER A 36 -5.162 -11.927 4.603 1.00 14.41 H new ATOM 0 HG SER A 36 -3.218 -11.538 5.796 1.00 50.51 H new ATOM 576 N PRO A 37 -6.532 -11.704 1.573 1.00 4.11 N ATOM 577 CA PRO A 37 -7.839 -11.143 1.118 1.00 4.23 C ATOM 578 C PRO A 37 -8.513 -10.200 2.169 1.00 0.04 C ATOM 579 O PRO A 37 -9.389 -9.398 1.830 1.00 45.32 O ATOM 580 CB PRO A 37 -8.687 -12.415 0.872 1.00 43.20 C ATOM 581 CG PRO A 37 -7.685 -13.493 0.570 1.00 63.41 C ATOM 582 CD PRO A 37 -6.510 -13.196 1.473 1.00 22.24 C ATOM 0 HA PRO A 37 -7.728 -10.505 0.241 1.00 4.23 H new ATOM 0 HB2 PRO A 37 -9.286 -12.666 1.747 1.00 43.20 H new ATOM 0 HB3 PRO A 37 -9.379 -12.274 0.042 1.00 43.20 H new ATOM 0 HG2 PRO A 37 -8.097 -14.482 0.770 1.00 63.41 H new ATOM 0 HG3 PRO A 37 -7.391 -13.476 -0.479 1.00 63.41 H new ATOM 0 HD2 PRO A 37 -6.622 -13.668 2.449 1.00 22.24 H new ATOM 0 HD3 PRO A 37 -5.573 -13.558 1.049 1.00 22.24 H new ATOM 590 N ASP A 38 -8.088 -10.331 3.439 1.00 73.24 N ATOM 591 CA ASP A 38 -8.519 -9.467 4.561 1.00 72.30 C ATOM 592 C ASP A 38 -7.931 -8.034 4.443 1.00 23.43 C ATOM 593 O ASP A 38 -8.580 -7.051 4.826 1.00 20.21 O ATOM 594 CB ASP A 38 -8.080 -10.140 5.892 1.00 75.34 C ATOM 595 CG ASP A 38 -8.427 -9.335 7.155 1.00 71.22 C ATOM 596 OD1 ASP A 38 -7.543 -8.621 7.687 1.00 34.54 O ATOM 597 OD2 ASP A 38 -9.589 -9.392 7.606 1.00 64.14 O ATOM 0 H ASP A 38 -7.424 -11.052 3.722 1.00 73.24 H new ATOM 0 HA ASP A 38 -9.603 -9.360 4.536 1.00 72.30 H new ATOM 0 HB2 ASP A 38 -8.549 -11.121 5.961 1.00 75.34 H new ATOM 0 HB3 ASP A 38 -7.003 -10.303 5.864 1.00 75.34 H new ATOM 602 N VAL A 39 -6.700 -7.940 3.892 1.00 74.32 N ATOM 603 CA VAL A 39 -5.950 -6.670 3.785 1.00 25.22 C ATOM 604 C VAL A 39 -6.633 -5.694 2.809 1.00 3.02 C ATOM 605 O VAL A 39 -6.859 -4.540 3.163 1.00 32.41 O ATOM 606 CB VAL A 39 -4.444 -6.909 3.368 1.00 44.40 C ATOM 607 CG1 VAL A 39 -3.731 -5.572 3.027 1.00 65.33 C ATOM 608 CG2 VAL A 39 -3.677 -7.669 4.487 1.00 52.21 C ATOM 0 H VAL A 39 -6.200 -8.742 3.509 1.00 74.32 H new ATOM 0 HA VAL A 39 -5.952 -6.218 4.777 1.00 25.22 H new ATOM 0 HB VAL A 39 -4.444 -7.525 2.469 1.00 44.40 H new ATOM 0 HG11 VAL A 39 -2.698 -5.773 2.744 1.00 65.33 H new ATOM 0 HG12 VAL A 39 -4.246 -5.086 2.198 1.00 65.33 H new ATOM 0 HG13 VAL A 39 -3.748 -4.918 3.899 1.00 65.33 H new ATOM 0 HG21 VAL A 39 -2.643 -7.823 4.179 1.00 52.21 H new ATOM 0 HG22 VAL A 39 -3.699 -7.083 5.406 1.00 52.21 H new ATOM 0 HG23 VAL A 39 -4.151 -8.635 4.662 1.00 52.21 H new ATOM 618 N LEU A 40 -6.978 -6.168 1.592 1.00 53.41 N ATOM 619 CA LEU A 40 -7.599 -5.312 0.553 1.00 15.41 C ATOM 620 C LEU A 40 -8.925 -4.694 1.056 1.00 42.10 C ATOM 621 O LEU A 40 -9.293 -3.587 0.653 1.00 65.41 O ATOM 622 CB LEU A 40 -7.819 -6.123 -0.758 1.00 12.32 C ATOM 623 CG LEU A 40 -8.873 -7.301 -0.700 1.00 72.14 C ATOM 624 CD1 LEU A 40 -10.289 -6.871 -1.176 1.00 31.21 C ATOM 625 CD2 LEU A 40 -8.388 -8.538 -1.466 1.00 42.13 C ATOM 0 H LEU A 40 -6.838 -7.136 1.304 1.00 53.41 H new ATOM 0 HA LEU A 40 -6.917 -4.490 0.336 1.00 15.41 H new ATOM 0 HB2 LEU A 40 -8.128 -5.429 -1.539 1.00 12.32 H new ATOM 0 HB3 LEU A 40 -6.860 -6.540 -1.064 1.00 12.32 H new ATOM 0 HG LEU A 40 -8.963 -7.569 0.353 1.00 72.14 H new ATOM 0 HD11 LEU A 40 -10.968 -7.722 -1.113 1.00 31.21 H new ATOM 0 HD12 LEU A 40 -10.657 -6.065 -0.541 1.00 31.21 H new ATOM 0 HD13 LEU A 40 -10.236 -6.524 -2.208 1.00 31.21 H new ATOM 0 HD21 LEU A 40 -9.140 -9.324 -1.402 1.00 42.13 H new ATOM 0 HD22 LEU A 40 -8.224 -8.277 -2.512 1.00 42.13 H new ATOM 0 HD23 LEU A 40 -7.454 -8.893 -1.030 1.00 42.13 H new ATOM 637 N ASP A 41 -9.605 -5.450 1.944 1.00 51.43 N ATOM 638 CA ASP A 41 -10.883 -5.071 2.559 1.00 62.14 C ATOM 639 C ASP A 41 -10.719 -3.825 3.448 1.00 52.41 C ATOM 640 O ASP A 41 -11.344 -2.791 3.188 1.00 13.04 O ATOM 641 CB ASP A 41 -11.446 -6.270 3.378 1.00 44.22 C ATOM 642 CG ASP A 41 -12.686 -5.922 4.219 1.00 1.41 C ATOM 643 OD1 ASP A 41 -12.613 -5.963 5.462 1.00 64.33 O ATOM 644 OD2 ASP A 41 -13.731 -5.582 3.638 1.00 33.44 O ATOM 0 H ASP A 41 -9.268 -6.361 2.257 1.00 51.43 H new ATOM 0 HA ASP A 41 -11.592 -4.819 1.770 1.00 62.14 H new ATOM 0 HB2 ASP A 41 -11.699 -7.079 2.692 1.00 44.22 H new ATOM 0 HB3 ASP A 41 -10.664 -6.645 4.039 1.00 44.22 H new ATOM 649 N GLN A 42 -9.838 -3.921 4.466 1.00 25.40 N ATOM 650 CA GLN A 42 -9.609 -2.823 5.438 1.00 31.41 C ATOM 651 C GLN A 42 -9.035 -1.564 4.751 1.00 44.34 C ATOM 652 O GLN A 42 -9.301 -0.439 5.185 1.00 12.22 O ATOM 653 CB GLN A 42 -8.679 -3.298 6.589 1.00 60.54 C ATOM 654 CG GLN A 42 -7.266 -3.728 6.146 1.00 41.14 C ATOM 655 CD GLN A 42 -6.396 -4.289 7.272 1.00 63.41 C ATOM 656 OE1 GLN A 42 -6.890 -4.894 8.225 1.00 13.13 O ATOM 657 NE2 GLN A 42 -5.087 -4.096 7.170 1.00 15.30 N ATOM 0 H GLN A 42 -9.270 -4.750 4.639 1.00 25.40 H new ATOM 0 HA GLN A 42 -10.575 -2.550 5.863 1.00 31.41 H new ATOM 0 HB2 GLN A 42 -8.586 -2.493 7.318 1.00 60.54 H new ATOM 0 HB3 GLN A 42 -9.155 -4.136 7.099 1.00 60.54 H new ATOM 0 HG2 GLN A 42 -7.357 -4.481 5.363 1.00 41.14 H new ATOM 0 HG3 GLN A 42 -6.759 -2.870 5.705 1.00 41.14 H new ATOM 0 HE21 GLN A 42 -4.707 -3.591 6.369 1.00 15.30 H new ATOM 0 HE22 GLN A 42 -4.461 -4.452 7.892 1.00 15.30 H new ATOM 666 N VAL A 43 -8.264 -1.783 3.666 1.00 21.20 N ATOM 667 CA VAL A 43 -7.695 -0.714 2.837 1.00 15.51 C ATOM 668 C VAL A 43 -8.812 0.051 2.092 1.00 0.22 C ATOM 669 O VAL A 43 -8.881 1.279 2.178 1.00 63.30 O ATOM 670 CB VAL A 43 -6.629 -1.300 1.829 1.00 52.42 C ATOM 671 CG1 VAL A 43 -6.216 -0.274 0.752 1.00 22.42 C ATOM 672 CG2 VAL A 43 -5.374 -1.814 2.590 1.00 23.15 C ATOM 0 H VAL A 43 -8.020 -2.719 3.342 1.00 21.20 H new ATOM 0 HA VAL A 43 -7.184 -0.005 3.488 1.00 15.51 H new ATOM 0 HB VAL A 43 -7.104 -2.138 1.318 1.00 52.42 H new ATOM 0 HG11 VAL A 43 -5.482 -0.724 0.083 1.00 22.42 H new ATOM 0 HG12 VAL A 43 -7.094 0.025 0.179 1.00 22.42 H new ATOM 0 HG13 VAL A 43 -5.780 0.602 1.232 1.00 22.42 H new ATOM 0 HG21 VAL A 43 -4.654 -2.213 1.876 1.00 23.15 H new ATOM 0 HG22 VAL A 43 -4.920 -0.991 3.142 1.00 23.15 H new ATOM 0 HG23 VAL A 43 -5.667 -2.599 3.287 1.00 23.15 H new ATOM 682 N ARG A 44 -9.711 -0.682 1.406 1.00 45.42 N ATOM 683 CA ARG A 44 -10.750 -0.064 0.553 1.00 33.34 C ATOM 684 C ARG A 44 -11.878 0.590 1.389 1.00 3.34 C ATOM 685 O ARG A 44 -12.613 1.438 0.884 1.00 72.31 O ATOM 686 CB ARG A 44 -11.321 -1.077 -0.470 1.00 32.34 C ATOM 687 CG ARG A 44 -12.177 -2.211 0.125 1.00 61.13 C ATOM 688 CD ARG A 44 -12.693 -3.180 -0.948 1.00 52.42 C ATOM 689 NE ARG A 44 -13.408 -2.477 -2.025 1.00 45.21 N ATOM 690 CZ ARG A 44 -14.738 -2.275 -2.088 1.00 34.31 C ATOM 691 NH1 ARG A 44 -15.555 -2.713 -1.136 1.00 3.44 N ATOM 692 NH2 ARG A 44 -15.237 -1.620 -3.113 1.00 42.21 N ATOM 0 H ARG A 44 -9.740 -1.701 1.425 1.00 45.42 H new ATOM 0 HA ARG A 44 -10.265 0.735 -0.008 1.00 33.34 H new ATOM 0 HB2 ARG A 44 -11.925 -0.532 -1.196 1.00 32.34 H new ATOM 0 HB3 ARG A 44 -10.490 -1.522 -1.017 1.00 32.34 H new ATOM 0 HG2 ARG A 44 -11.586 -2.763 0.856 1.00 61.13 H new ATOM 0 HG3 ARG A 44 -13.024 -1.781 0.660 1.00 61.13 H new ATOM 0 HD2 ARG A 44 -11.854 -3.734 -1.370 1.00 52.42 H new ATOM 0 HD3 ARG A 44 -13.358 -3.911 -0.488 1.00 52.42 H new ATOM 0 HE ARG A 44 -12.846 -2.110 -2.793 1.00 45.21 H new ATOM 0 HH11 ARG A 44 -15.178 -3.216 -0.332 1.00 3.44 H new ATOM 0 HH12 ARG A 44 -16.559 -2.546 -1.209 1.00 3.44 H new ATOM 0 HH21 ARG A 44 -14.619 -1.273 -3.846 1.00 42.21 H new ATOM 0 HH22 ARG A 44 -16.242 -1.459 -3.175 1.00 42.21 H new ATOM 706 N GLU A 45 -12.024 0.181 2.661 1.00 64.11 N ATOM 707 CA GLU A 45 -12.977 0.823 3.593 1.00 64.41 C ATOM 708 C GLU A 45 -12.326 2.058 4.273 1.00 33.23 C ATOM 709 O GLU A 45 -13.023 3.004 4.658 1.00 72.12 O ATOM 710 CB GLU A 45 -13.502 -0.207 4.629 1.00 63.14 C ATOM 711 CG GLU A 45 -14.184 -1.456 4.006 1.00 63.31 C ATOM 712 CD GLU A 45 -15.325 -1.116 3.021 1.00 32.34 C ATOM 713 OE1 GLU A 45 -16.434 -0.757 3.471 1.00 32.44 O ATOM 714 OE2 GLU A 45 -15.121 -1.194 1.784 1.00 74.13 O ATOM 0 H GLU A 45 -11.496 -0.590 3.070 1.00 64.11 H new ATOM 0 HA GLU A 45 -13.838 1.182 3.029 1.00 64.41 H new ATOM 0 HB2 GLU A 45 -12.669 -0.535 5.250 1.00 63.14 H new ATOM 0 HB3 GLU A 45 -14.214 0.290 5.288 1.00 63.14 H new ATOM 0 HG2 GLU A 45 -13.431 -2.048 3.485 1.00 63.31 H new ATOM 0 HG3 GLU A 45 -14.582 -2.079 4.807 1.00 63.31 H new ATOM 721 N HIS A 46 -10.971 2.037 4.386 1.00 35.53 N ATOM 722 CA HIS A 46 -10.159 3.191 4.868 1.00 14.14 C ATOM 723 C HIS A 46 -10.096 4.283 3.777 1.00 55.33 C ATOM 724 O HIS A 46 -9.896 5.469 4.068 1.00 52.51 O ATOM 725 CB HIS A 46 -8.726 2.710 5.228 1.00 54.44 C ATOM 726 CG HIS A 46 -7.839 3.750 5.866 1.00 2.04 C ATOM 727 ND1 HIS A 46 -6.901 4.475 5.163 1.00 41.44 N ATOM 728 CD2 HIS A 46 -7.730 4.151 7.154 1.00 62.53 C ATOM 729 CE1 HIS A 46 -6.244 5.259 5.997 1.00 72.11 C ATOM 730 NE2 HIS A 46 -6.730 5.081 7.203 1.00 2.31 N ATOM 0 H HIS A 46 -10.409 1.220 4.146 1.00 35.53 H new ATOM 0 HA HIS A 46 -10.626 3.611 5.759 1.00 14.14 H new ATOM 0 HB2 HIS A 46 -8.805 1.859 5.905 1.00 54.44 H new ATOM 0 HB3 HIS A 46 -8.242 2.351 4.320 1.00 54.44 H new ATOM 0 HD1 HIS A 46 -6.740 4.415 4.158 1.00 41.44 H new ATOM 0 HD2 HIS A 46 -8.322 3.802 7.987 1.00 62.53 H new ATOM 0 HE1 HIS A 46 -5.443 5.933 5.732 1.00 72.11 H new ATOM 739 N ALA A 47 -10.266 3.830 2.525 1.00 31.22 N ATOM 740 CA ALA A 47 -10.274 4.664 1.318 1.00 2.31 C ATOM 741 C ALA A 47 -11.364 5.732 1.366 1.00 45.42 C ATOM 742 O ALA A 47 -11.121 6.898 1.046 1.00 70.44 O ATOM 743 CB ALA A 47 -10.519 3.766 0.112 1.00 41.22 C ATOM 0 H ALA A 47 -10.406 2.840 2.321 1.00 31.22 H new ATOM 0 HA ALA A 47 -9.312 5.171 1.249 1.00 2.31 H new ATOM 0 HB1 ALA A 47 -10.528 4.370 -0.795 1.00 41.22 H new ATOM 0 HB2 ALA A 47 -9.725 3.022 0.045 1.00 41.22 H new ATOM 0 HB3 ALA A 47 -11.479 3.262 0.222 1.00 41.22 H new ATOM 749 N ARG A 48 -12.565 5.282 1.784 1.00 64.35 N ATOM 750 CA ARG A 48 -13.800 6.088 1.789 1.00 31.04 C ATOM 751 C ARG A 48 -13.641 7.333 2.673 1.00 20.11 C ATOM 752 O ARG A 48 -14.109 8.412 2.315 1.00 74.34 O ATOM 753 CB ARG A 48 -14.981 5.219 2.280 1.00 54.43 C ATOM 754 CG ARG A 48 -15.128 3.895 1.507 1.00 14.10 C ATOM 755 CD ARG A 48 -16.212 2.982 2.094 1.00 3.03 C ATOM 756 NE ARG A 48 -16.264 1.695 1.385 1.00 13.14 N ATOM 757 CZ ARG A 48 -17.029 1.423 0.320 1.00 4.50 C ATOM 758 NH1 ARG A 48 -17.836 2.348 -0.195 1.00 3.21 N ATOM 759 NH2 ARG A 48 -16.977 0.223 -0.222 1.00 44.52 N ATOM 0 H ARG A 48 -12.705 4.334 2.133 1.00 64.35 H new ATOM 0 HA ARG A 48 -14.002 6.428 0.773 1.00 31.04 H new ATOM 0 HB2 ARG A 48 -14.846 5.000 3.339 1.00 54.43 H new ATOM 0 HB3 ARG A 48 -15.905 5.789 2.188 1.00 54.43 H new ATOM 0 HG2 ARG A 48 -15.367 4.112 0.466 1.00 14.10 H new ATOM 0 HG3 ARG A 48 -14.174 3.368 1.512 1.00 14.10 H new ATOM 0 HD2 ARG A 48 -16.013 2.810 3.152 1.00 3.03 H new ATOM 0 HD3 ARG A 48 -17.182 3.476 2.029 1.00 3.03 H new ATOM 0 HE ARG A 48 -15.667 0.946 1.734 1.00 13.14 H new ATOM 0 HH11 ARG A 48 -17.877 3.278 0.222 1.00 3.21 H new ATOM 0 HH12 ARG A 48 -18.413 2.127 -1.006 1.00 3.21 H new ATOM 0 HH21 ARG A 48 -16.359 -0.487 0.170 1.00 44.52 H new ATOM 0 HH22 ARG A 48 -17.555 0.004 -1.033 1.00 44.52 H new ATOM 773 N GLU A 49 -12.944 7.149 3.813 1.00 12.30 N ATOM 774 CA GLU A 49 -12.598 8.229 4.750 1.00 62.53 C ATOM 775 C GLU A 49 -11.800 9.333 4.035 1.00 41.11 C ATOM 776 O GLU A 49 -12.242 10.476 3.965 1.00 71.51 O ATOM 777 CB GLU A 49 -11.766 7.661 5.933 1.00 13.13 C ATOM 778 CG GLU A 49 -12.480 6.581 6.774 1.00 20.54 C ATOM 779 CD GLU A 49 -13.684 7.130 7.562 1.00 75.53 C ATOM 780 OE1 GLU A 49 -13.485 7.702 8.659 1.00 0.41 O ATOM 781 OE2 GLU A 49 -14.832 7.005 7.093 1.00 55.12 O ATOM 0 H GLU A 49 -12.603 6.234 4.109 1.00 12.30 H new ATOM 0 HA GLU A 49 -13.522 8.660 5.134 1.00 62.53 H new ATOM 0 HB2 GLU A 49 -10.841 7.240 5.538 1.00 13.13 H new ATOM 0 HB3 GLU A 49 -11.486 8.485 6.589 1.00 13.13 H new ATOM 0 HG2 GLU A 49 -12.818 5.781 6.116 1.00 20.54 H new ATOM 0 HG3 GLU A 49 -11.767 6.141 7.471 1.00 20.54 H new ATOM 788 N LEU A 50 -10.646 8.934 3.463 1.00 20.23 N ATOM 789 CA LEU A 50 -9.672 9.843 2.816 1.00 50.32 C ATOM 790 C LEU A 50 -10.276 10.560 1.595 1.00 30.33 C ATOM 791 O LEU A 50 -9.963 11.730 1.331 1.00 50.13 O ATOM 792 CB LEU A 50 -8.420 9.025 2.404 1.00 24.43 C ATOM 793 CG LEU A 50 -7.655 8.365 3.590 1.00 35.42 C ATOM 794 CD1 LEU A 50 -6.590 7.374 3.098 1.00 34.12 C ATOM 795 CD2 LEU A 50 -7.043 9.442 4.516 1.00 3.13 C ATOM 0 H LEU A 50 -10.358 7.956 3.436 1.00 20.23 H new ATOM 0 HA LEU A 50 -9.393 10.618 3.530 1.00 50.32 H new ATOM 0 HB2 LEU A 50 -8.726 8.245 1.707 1.00 24.43 H new ATOM 0 HB3 LEU A 50 -7.735 9.681 1.867 1.00 24.43 H new ATOM 0 HG LEU A 50 -8.377 7.792 4.173 1.00 35.42 H new ATOM 0 HD11 LEU A 50 -6.078 6.935 3.954 1.00 34.12 H new ATOM 0 HD12 LEU A 50 -7.068 6.585 2.517 1.00 34.12 H new ATOM 0 HD13 LEU A 50 -5.867 7.898 2.473 1.00 34.12 H new ATOM 0 HD21 LEU A 50 -6.514 8.958 5.337 1.00 3.13 H new ATOM 0 HD22 LEU A 50 -6.346 10.057 3.947 1.00 3.13 H new ATOM 0 HD23 LEU A 50 -7.838 10.071 4.917 1.00 3.13 H new ATOM 807 N GLN A 51 -11.168 9.840 0.891 1.00 55.14 N ATOM 808 CA GLN A 51 -11.858 10.332 -0.303 1.00 64.33 C ATOM 809 C GLN A 51 -12.805 11.492 0.065 1.00 71.14 C ATOM 810 O GLN A 51 -12.812 12.537 -0.601 1.00 42.20 O ATOM 811 CB GLN A 51 -12.632 9.167 -0.971 1.00 23.22 C ATOM 812 CG GLN A 51 -13.294 9.525 -2.316 1.00 11.15 C ATOM 813 CD GLN A 51 -13.963 8.330 -2.987 1.00 52.21 C ATOM 814 OE1 GLN A 51 -15.154 8.089 -2.822 1.00 44.41 O ATOM 815 NE2 GLN A 51 -13.186 7.555 -3.734 1.00 54.45 N ATOM 0 H GLN A 51 -11.430 8.887 1.144 1.00 55.14 H new ATOM 0 HA GLN A 51 -11.125 10.715 -1.014 1.00 64.33 H new ATOM 0 HB2 GLN A 51 -11.945 8.335 -1.129 1.00 23.22 H new ATOM 0 HB3 GLN A 51 -13.402 8.818 -0.283 1.00 23.22 H new ATOM 0 HG2 GLN A 51 -14.037 10.306 -2.153 1.00 11.15 H new ATOM 0 HG3 GLN A 51 -12.541 9.937 -2.987 1.00 11.15 H new ATOM 0 HE21 GLN A 51 -12.199 7.784 -3.851 1.00 54.45 H new ATOM 0 HE22 GLN A 51 -13.576 6.731 -4.191 1.00 54.45 H new ATOM 824 N LYS A 52 -13.567 11.303 1.163 1.00 5.22 N ATOM 825 CA LYS A 52 -14.529 12.304 1.670 1.00 52.22 C ATOM 826 C LYS A 52 -13.800 13.498 2.318 1.00 72.55 C ATOM 827 O LYS A 52 -14.281 14.634 2.249 1.00 64.22 O ATOM 828 CB LYS A 52 -15.500 11.652 2.684 1.00 50.11 C ATOM 829 CG LYS A 52 -16.384 10.536 2.100 1.00 72.43 C ATOM 830 CD LYS A 52 -17.238 9.842 3.187 1.00 53.12 C ATOM 831 CE LYS A 52 -18.076 8.682 2.644 1.00 52.23 C ATOM 832 NZ LYS A 52 -18.903 8.051 3.701 1.00 53.33 N ATOM 0 H LYS A 52 -13.532 10.451 1.723 1.00 5.22 H new ATOM 0 HA LYS A 52 -15.103 12.679 0.823 1.00 52.22 H new ATOM 0 HB2 LYS A 52 -14.920 11.242 3.511 1.00 50.11 H new ATOM 0 HB3 LYS A 52 -16.144 12.427 3.100 1.00 50.11 H new ATOM 0 HG2 LYS A 52 -17.040 10.955 1.337 1.00 72.43 H new ATOM 0 HG3 LYS A 52 -15.754 9.796 1.607 1.00 72.43 H new ATOM 0 HD2 LYS A 52 -16.582 9.471 3.974 1.00 53.12 H new ATOM 0 HD3 LYS A 52 -17.900 10.577 3.645 1.00 53.12 H new ATOM 0 HE2 LYS A 52 -18.723 9.045 1.846 1.00 52.23 H new ATOM 0 HE3 LYS A 52 -17.417 7.933 2.204 1.00 52.23 H new ATOM 0 HZ1 LYS A 52 -19.454 7.271 3.291 1.00 53.33 H new ATOM 0 HZ2 LYS A 52 -18.285 7.681 4.451 1.00 53.33 H new ATOM 0 HZ3 LYS A 52 -19.551 8.758 4.104 1.00 53.33 H new ATOM 846 N GLN A 53 -12.632 13.223 2.936 1.00 75.33 N ATOM 847 CA GLN A 53 -11.766 14.260 3.548 1.00 73.42 C ATOM 848 C GLN A 53 -11.113 15.156 2.473 1.00 4.32 C ATOM 849 O GLN A 53 -10.627 16.249 2.785 1.00 12.32 O ATOM 850 CB GLN A 53 -10.659 13.603 4.429 1.00 42.31 C ATOM 851 CG GLN A 53 -11.177 12.889 5.695 1.00 12.40 C ATOM 852 CD GLN A 53 -10.069 12.195 6.497 1.00 41.34 C ATOM 853 OE1 GLN A 53 -9.475 12.777 7.398 1.00 15.24 O ATOM 854 NE2 GLN A 53 -9.775 10.950 6.166 1.00 21.15 N ATOM 0 H GLN A 53 -12.261 12.277 3.026 1.00 75.33 H new ATOM 0 HA GLN A 53 -12.400 14.885 4.177 1.00 73.42 H new ATOM 0 HB2 GLN A 53 -10.111 12.883 3.821 1.00 42.31 H new ATOM 0 HB3 GLN A 53 -9.948 14.373 4.729 1.00 42.31 H new ATOM 0 HG2 GLN A 53 -11.678 13.616 6.334 1.00 12.40 H new ATOM 0 HG3 GLN A 53 -11.924 12.150 5.407 1.00 12.40 H new ATOM 0 HE21 GLN A 53 -10.285 10.489 5.412 1.00 21.15 H new ATOM 0 HE22 GLN A 53 -9.039 10.450 6.664 1.00 21.15 H new ATOM 863 N GLY A 54 -11.095 14.664 1.220 1.00 70.42 N ATOM 864 CA GLY A 54 -10.568 15.418 0.089 1.00 20.24 C ATOM 865 C GLY A 54 -9.052 15.493 0.106 1.00 3.11 C ATOM 866 O GLY A 54 -8.473 16.553 -0.149 1.00 12.42 O ATOM 0 H GLY A 54 -11.445 13.738 0.974 1.00 70.42 H new ATOM 0 HA2 GLY A 54 -10.897 14.953 -0.840 1.00 20.24 H new ATOM 0 HA3 GLY A 54 -10.980 16.427 0.103 1.00 20.24 H new ATOM 870 N ILE A 55 -8.404 14.361 0.433 1.00 42.32 N ATOM 871 CA ILE A 55 -6.931 14.262 0.509 1.00 50.22 C ATOM 872 C ILE A 55 -6.424 13.371 -0.637 1.00 23.24 C ATOM 873 O ILE A 55 -6.471 12.136 -0.531 1.00 64.13 O ATOM 874 CB ILE A 55 -6.449 13.676 1.899 1.00 52.41 C ATOM 875 CG1 ILE A 55 -7.096 14.458 3.088 1.00 62.22 C ATOM 876 CG2 ILE A 55 -4.896 13.684 2.003 1.00 45.42 C ATOM 877 CD1 ILE A 55 -6.745 13.931 4.477 1.00 24.14 C ATOM 0 H ILE A 55 -8.884 13.488 0.652 1.00 42.32 H new ATOM 0 HA ILE A 55 -6.519 15.267 0.417 1.00 50.22 H new ATOM 0 HB ILE A 55 -6.780 12.639 1.959 1.00 52.41 H new ATOM 0 HG12 ILE A 55 -6.790 15.502 3.025 1.00 62.22 H new ATOM 0 HG13 ILE A 55 -8.179 14.435 2.971 1.00 62.22 H new ATOM 0 HG21 ILE A 55 -4.594 13.276 2.968 1.00 45.42 H new ATOM 0 HG22 ILE A 55 -4.475 13.075 1.203 1.00 45.42 H new ATOM 0 HG23 ILE A 55 -4.530 14.707 1.911 1.00 45.42 H new ATOM 0 HD11 ILE A 55 -7.242 14.539 5.233 1.00 24.14 H new ATOM 0 HD12 ILE A 55 -7.076 12.897 4.568 1.00 24.14 H new ATOM 0 HD13 ILE A 55 -5.666 13.980 4.623 1.00 24.14 H new ATOM 889 N HIS A 56 -6.001 13.988 -1.759 1.00 4.52 N ATOM 890 CA HIS A 56 -5.385 13.246 -2.867 1.00 35.24 C ATOM 891 C HIS A 56 -3.866 13.227 -2.677 1.00 4.23 C ATOM 892 O HIS A 56 -3.191 14.224 -2.894 1.00 21.23 O ATOM 893 CB HIS A 56 -5.740 13.870 -4.245 1.00 45.44 C ATOM 894 CG HIS A 56 -5.070 13.191 -5.430 1.00 44.42 C ATOM 895 ND1 HIS A 56 -4.654 13.866 -6.549 1.00 70.31 N ATOM 896 CD2 HIS A 56 -4.744 11.886 -5.646 1.00 1.13 C ATOM 897 CE1 HIS A 56 -4.104 13.018 -7.395 1.00 31.22 C ATOM 898 NE2 HIS A 56 -4.147 11.814 -6.867 1.00 61.30 N ATOM 0 H HIS A 56 -6.076 14.993 -1.917 1.00 4.52 H new ATOM 0 HA HIS A 56 -5.777 12.229 -2.857 1.00 35.24 H new ATOM 0 HB2 HIS A 56 -6.821 13.830 -4.381 1.00 45.44 H new ATOM 0 HB3 HIS A 56 -5.458 14.923 -4.237 1.00 45.44 H new ATOM 0 HD2 HIS A 56 -4.926 11.061 -4.973 1.00 1.13 H new ATOM 0 HE1 HIS A 56 -3.688 13.269 -8.359 1.00 31.22 H new ATOM 0 HE2 HIS A 56 -3.790 10.963 -7.302 1.00 61.30 H new ATOM 907 N PHE A 57 -3.353 12.061 -2.323 1.00 33.13 N ATOM 908 CA PHE A 57 -1.916 11.770 -2.265 1.00 30.12 C ATOM 909 C PHE A 57 -1.588 10.880 -3.460 1.00 31.24 C ATOM 910 O PHE A 57 -2.351 9.958 -3.780 1.00 44.14 O ATOM 911 CB PHE A 57 -1.535 11.109 -0.909 1.00 13.43 C ATOM 912 CG PHE A 57 -2.540 10.061 -0.430 1.00 43.55 C ATOM 913 CD1 PHE A 57 -2.462 8.739 -0.860 1.00 63.14 C ATOM 914 CD2 PHE A 57 -3.583 10.420 0.423 1.00 20.23 C ATOM 915 CE1 PHE A 57 -3.389 7.813 -0.460 1.00 34.42 C ATOM 916 CE2 PHE A 57 -4.506 9.489 0.828 1.00 33.04 C ATOM 917 CZ PHE A 57 -4.410 8.190 0.383 1.00 52.22 C ATOM 0 H PHE A 57 -3.933 11.264 -2.060 1.00 33.13 H new ATOM 0 HA PHE A 57 -1.328 12.686 -2.320 1.00 30.12 H new ATOM 0 HB2 PHE A 57 -0.555 10.642 -1.006 1.00 13.43 H new ATOM 0 HB3 PHE A 57 -1.444 11.886 -0.150 1.00 13.43 H new ATOM 0 HD1 PHE A 57 -1.660 8.439 -1.518 1.00 63.14 H new ATOM 0 HD2 PHE A 57 -3.665 11.440 0.768 1.00 20.23 H new ATOM 0 HE1 PHE A 57 -3.319 6.792 -0.804 1.00 34.42 H new ATOM 0 HE2 PHE A 57 -5.306 9.775 1.495 1.00 33.04 H new ATOM 0 HZ PHE A 57 -5.142 7.461 0.698 1.00 52.22 H new ATOM 927 N GLU A 58 -0.491 11.183 -4.151 1.00 65.31 N ATOM 928 CA GLU A 58 -0.119 10.471 -5.375 1.00 0.44 C ATOM 929 C GLU A 58 1.352 10.057 -5.313 1.00 43.45 C ATOM 930 O GLU A 58 2.214 10.859 -4.910 1.00 11.25 O ATOM 931 CB GLU A 58 -0.408 11.347 -6.625 1.00 73.04 C ATOM 932 CG GLU A 58 -0.374 10.574 -7.965 1.00 23.01 C ATOM 933 CD GLU A 58 -1.399 9.423 -8.008 1.00 34.43 C ATOM 934 OE1 GLU A 58 -1.037 8.258 -7.697 1.00 21.33 O ATOM 935 OE2 GLU A 58 -2.583 9.686 -8.302 1.00 14.05 O ATOM 0 H GLU A 58 0.160 11.921 -3.883 1.00 65.31 H new ATOM 0 HA GLU A 58 -0.723 9.568 -5.458 1.00 0.44 H new ATOM 0 HB2 GLU A 58 -1.388 11.810 -6.511 1.00 73.04 H new ATOM 0 HB3 GLU A 58 0.323 12.154 -6.666 1.00 73.04 H new ATOM 0 HG2 GLU A 58 -0.573 11.265 -8.784 1.00 23.01 H new ATOM 0 HG3 GLU A 58 0.627 10.172 -8.123 1.00 23.01 H new ATOM 942 N VAL A 59 1.601 8.797 -5.717 1.00 33.02 N ATOM 943 CA VAL A 59 2.926 8.160 -5.686 1.00 33.44 C ATOM 944 C VAL A 59 3.896 8.876 -6.649 1.00 62.15 C ATOM 945 O VAL A 59 3.604 9.031 -7.842 1.00 31.12 O ATOM 946 CB VAL A 59 2.810 6.633 -6.059 1.00 61.12 C ATOM 947 CG1 VAL A 59 4.198 5.950 -6.130 1.00 33.25 C ATOM 948 CG2 VAL A 59 1.864 5.888 -5.075 1.00 74.04 C ATOM 0 H VAL A 59 0.871 8.184 -6.080 1.00 33.02 H new ATOM 0 HA VAL A 59 3.323 8.242 -4.674 1.00 33.44 H new ATOM 0 HB VAL A 59 2.372 6.574 -7.056 1.00 61.12 H new ATOM 0 HG11 VAL A 59 4.073 4.899 -6.390 1.00 33.25 H new ATOM 0 HG12 VAL A 59 4.807 6.442 -6.889 1.00 33.25 H new ATOM 0 HG13 VAL A 59 4.692 6.028 -5.162 1.00 33.25 H new ATOM 0 HG21 VAL A 59 1.802 4.837 -5.356 1.00 74.04 H new ATOM 0 HG22 VAL A 59 2.255 5.971 -4.061 1.00 74.04 H new ATOM 0 HG23 VAL A 59 0.870 6.334 -5.118 1.00 74.04 H new ATOM 958 N LYS A 60 5.043 9.312 -6.113 1.00 61.44 N ATOM 959 CA LYS A 60 6.086 10.027 -6.877 1.00 41.21 C ATOM 960 C LYS A 60 7.382 9.207 -6.942 1.00 2.22 C ATOM 961 O LYS A 60 8.061 9.181 -7.973 1.00 2.13 O ATOM 962 CB LYS A 60 6.361 11.421 -6.237 1.00 40.15 C ATOM 963 CG LYS A 60 5.142 12.375 -6.209 1.00 70.42 C ATOM 964 CD LYS A 60 4.528 12.643 -7.602 1.00 23.23 C ATOM 965 CE LYS A 60 5.531 13.218 -8.623 1.00 53.44 C ATOM 966 NZ LYS A 60 6.127 14.502 -8.172 1.00 2.11 N ATOM 0 H LYS A 60 5.280 9.180 -5.130 1.00 61.44 H new ATOM 0 HA LYS A 60 5.724 10.169 -7.895 1.00 41.21 H new ATOM 0 HB2 LYS A 60 6.712 11.273 -5.216 1.00 40.15 H new ATOM 0 HB3 LYS A 60 7.170 11.904 -6.786 1.00 40.15 H new ATOM 0 HG2 LYS A 60 4.376 11.951 -5.560 1.00 70.42 H new ATOM 0 HG3 LYS A 60 5.445 13.324 -5.767 1.00 70.42 H new ATOM 0 HD2 LYS A 60 4.118 11.712 -7.994 1.00 23.23 H new ATOM 0 HD3 LYS A 60 3.695 13.337 -7.494 1.00 23.23 H new ATOM 0 HE2 LYS A 60 6.326 12.492 -8.795 1.00 53.44 H new ATOM 0 HE3 LYS A 60 5.027 13.370 -9.577 1.00 53.44 H new ATOM 0 HZ1 LYS A 60 6.328 15.101 -8.998 1.00 2.11 H new ATOM 0 HZ2 LYS A 60 5.460 14.993 -7.543 1.00 2.11 H new ATOM 0 HZ3 LYS A 60 7.011 14.313 -7.658 1.00 2.11 H new ATOM 980 N ARG A 61 7.703 8.530 -5.837 1.00 32.22 N ATOM 981 CA ARG A 61 8.965 7.790 -5.680 1.00 62.54 C ATOM 982 C ARG A 61 8.708 6.514 -4.873 1.00 63.40 C ATOM 983 O ARG A 61 8.085 6.577 -3.818 1.00 23.20 O ATOM 984 CB ARG A 61 10.004 8.702 -4.975 1.00 22.24 C ATOM 985 CG ARG A 61 11.346 8.023 -4.613 1.00 75.01 C ATOM 986 CD ARG A 61 12.344 9.002 -3.977 1.00 2.41 C ATOM 987 NE ARG A 61 11.771 9.738 -2.828 1.00 64.41 N ATOM 988 CZ ARG A 61 12.126 9.571 -1.543 1.00 14.24 C ATOM 989 NH1 ARG A 61 13.066 8.701 -1.197 1.00 31.43 N ATOM 990 NH2 ARG A 61 11.542 10.289 -0.614 1.00 43.22 N ATOM 0 H ARG A 61 7.094 8.477 -5.020 1.00 32.22 H new ATOM 0 HA ARG A 61 9.362 7.503 -6.654 1.00 62.54 H new ATOM 0 HB2 ARG A 61 10.211 9.555 -5.621 1.00 22.24 H new ATOM 0 HB3 ARG A 61 9.557 9.095 -4.062 1.00 22.24 H new ATOM 0 HG2 ARG A 61 11.159 7.200 -3.924 1.00 75.01 H new ATOM 0 HG3 ARG A 61 11.786 7.592 -5.512 1.00 75.01 H new ATOM 0 HD2 ARG A 61 13.226 8.452 -3.648 1.00 2.41 H new ATOM 0 HD3 ARG A 61 12.677 9.716 -4.731 1.00 2.41 H new ATOM 0 HE ARG A 61 11.047 10.429 -3.028 1.00 64.41 H new ATOM 0 HH11 ARG A 61 13.534 8.144 -1.912 1.00 31.43 H new ATOM 0 HH12 ARG A 61 13.321 8.589 -0.216 1.00 31.43 H new ATOM 0 HH21 ARG A 61 10.825 10.968 -0.870 1.00 43.22 H new ATOM 0 HH22 ARG A 61 11.805 10.169 0.364 1.00 43.22 H new ATOM 1004 N VAL A 62 9.172 5.364 -5.392 1.00 2.50 N ATOM 1005 CA VAL A 62 9.056 4.050 -4.721 1.00 54.31 C ATOM 1006 C VAL A 62 10.467 3.491 -4.482 1.00 44.25 C ATOM 1007 O VAL A 62 11.285 3.454 -5.407 1.00 24.54 O ATOM 1008 CB VAL A 62 8.227 3.008 -5.576 1.00 63.43 C ATOM 1009 CG1 VAL A 62 8.101 1.636 -4.850 1.00 41.22 C ATOM 1010 CG2 VAL A 62 6.832 3.565 -5.934 1.00 11.03 C ATOM 0 H VAL A 62 9.642 5.316 -6.296 1.00 2.50 H new ATOM 0 HA VAL A 62 8.526 4.201 -3.781 1.00 54.31 H new ATOM 0 HB VAL A 62 8.777 2.843 -6.502 1.00 63.43 H new ATOM 0 HG11 VAL A 62 7.525 0.948 -5.469 1.00 41.22 H new ATOM 0 HG12 VAL A 62 9.095 1.223 -4.677 1.00 41.22 H new ATOM 0 HG13 VAL A 62 7.595 1.775 -3.895 1.00 41.22 H new ATOM 0 HG21 VAL A 62 6.285 2.827 -6.521 1.00 11.03 H new ATOM 0 HG22 VAL A 62 6.281 3.781 -5.019 1.00 11.03 H new ATOM 0 HG23 VAL A 62 6.944 4.481 -6.515 1.00 11.03 H new ATOM 1020 N GLU A 63 10.745 3.088 -3.235 1.00 55.30 N ATOM 1021 CA GLU A 63 11.967 2.365 -2.861 1.00 62.42 C ATOM 1022 C GLU A 63 11.549 1.102 -2.109 1.00 21.30 C ATOM 1023 O GLU A 63 11.103 1.177 -0.970 1.00 44.13 O ATOM 1024 CB GLU A 63 12.896 3.233 -1.971 1.00 3.43 C ATOM 1025 CG GLU A 63 13.369 4.532 -2.637 1.00 25.23 C ATOM 1026 CD GLU A 63 14.398 5.290 -1.788 1.00 23.13 C ATOM 1027 OE1 GLU A 63 15.618 5.124 -2.019 1.00 60.05 O ATOM 1028 OE2 GLU A 63 13.998 6.023 -0.864 1.00 31.43 O ATOM 0 H GLU A 63 10.119 3.257 -2.448 1.00 55.30 H new ATOM 0 HA GLU A 63 12.530 2.115 -3.760 1.00 62.42 H new ATOM 0 HB2 GLU A 63 12.370 3.481 -1.049 1.00 3.43 H new ATOM 0 HB3 GLU A 63 13.768 2.642 -1.691 1.00 3.43 H new ATOM 0 HG2 GLU A 63 13.805 4.300 -3.608 1.00 25.23 H new ATOM 0 HG3 GLU A 63 12.509 5.176 -2.820 1.00 25.23 H new ATOM 1035 N VAL A 64 11.675 -0.056 -2.764 1.00 73.21 N ATOM 1036 CA VAL A 64 11.318 -1.350 -2.169 1.00 31.13 C ATOM 1037 C VAL A 64 12.615 -2.081 -1.753 1.00 62.05 C ATOM 1038 O VAL A 64 13.455 -2.425 -2.590 1.00 54.13 O ATOM 1039 CB VAL A 64 10.404 -2.208 -3.134 1.00 32.15 C ATOM 1040 CG1 VAL A 64 11.061 -2.479 -4.513 1.00 34.04 C ATOM 1041 CG2 VAL A 64 9.947 -3.515 -2.441 1.00 70.35 C ATOM 0 H VAL A 64 12.026 -0.124 -3.719 1.00 73.21 H new ATOM 0 HA VAL A 64 10.714 -1.190 -1.276 1.00 31.13 H new ATOM 0 HB VAL A 64 9.518 -1.610 -3.346 1.00 32.15 H new ATOM 0 HG11 VAL A 64 10.384 -3.072 -5.128 1.00 34.04 H new ATOM 0 HG12 VAL A 64 11.267 -1.531 -5.010 1.00 34.04 H new ATOM 0 HG13 VAL A 64 11.994 -3.025 -4.371 1.00 34.04 H new ATOM 0 HG21 VAL A 64 9.320 -4.089 -3.123 1.00 70.35 H new ATOM 0 HG22 VAL A 64 10.821 -4.106 -2.167 1.00 70.35 H new ATOM 0 HG23 VAL A 64 9.378 -3.271 -1.544 1.00 70.35 H new ATOM 1051 N THR A 65 12.780 -2.259 -0.437 1.00 45.53 N ATOM 1052 CA THR A 65 14.019 -2.769 0.176 1.00 12.15 C ATOM 1053 C THR A 65 13.681 -3.781 1.274 1.00 64.53 C ATOM 1054 O THR A 65 12.608 -3.715 1.867 1.00 70.12 O ATOM 1055 CB THR A 65 14.881 -1.588 0.747 1.00 71.24 C ATOM 1056 OG1 THR A 65 16.018 -2.084 1.487 1.00 74.41 O ATOM 1057 CG2 THR A 65 14.053 -0.635 1.631 1.00 21.03 C ATOM 0 H THR A 65 12.049 -2.051 0.244 1.00 45.53 H new ATOM 0 HA THR A 65 14.609 -3.273 -0.590 1.00 12.15 H new ATOM 0 HB THR A 65 15.237 -1.020 -0.112 1.00 71.24 H new ATOM 0 HG1 THR A 65 16.539 -1.329 1.831 1.00 74.41 H new ATOM 0 HG21 THR A 65 14.693 0.165 2.002 1.00 21.03 H new ATOM 0 HG22 THR A 65 13.241 -0.207 1.043 1.00 21.03 H new ATOM 0 HG23 THR A 65 13.638 -1.188 2.474 1.00 21.03 H new ATOM 1065 N THR A 66 14.609 -4.709 1.543 1.00 5.51 N ATOM 1066 CA THR A 66 14.378 -5.833 2.457 1.00 21.51 C ATOM 1067 C THR A 66 15.004 -5.578 3.843 1.00 33.33 C ATOM 1068 O THR A 66 16.172 -5.194 3.955 1.00 41.31 O ATOM 1069 CB THR A 66 14.921 -7.158 1.827 1.00 32.13 C ATOM 1070 OG1 THR A 66 16.288 -6.973 1.412 1.00 1.34 O ATOM 1071 CG2 THR A 66 14.065 -7.586 0.622 1.00 71.33 C ATOM 0 H THR A 66 15.542 -4.700 1.132 1.00 5.51 H new ATOM 0 HA THR A 66 13.303 -5.933 2.607 1.00 21.51 H new ATOM 0 HB THR A 66 14.870 -7.944 2.580 1.00 32.13 H new ATOM 0 HG1 THR A 66 16.626 -7.805 1.019 1.00 1.34 H new ATOM 0 HG21 THR A 66 14.464 -8.510 0.202 1.00 71.33 H new ATOM 0 HG22 THR A 66 13.037 -7.748 0.945 1.00 71.33 H new ATOM 0 HG23 THR A 66 14.087 -6.804 -0.136 1.00 71.33 H new ATOM 1079 N ASP A 67 14.175 -5.791 4.871 1.00 53.54 N ATOM 1080 CA ASP A 67 14.514 -5.703 6.306 1.00 64.43 C ATOM 1081 C ASP A 67 14.501 -7.133 6.901 1.00 51.31 C ATOM 1082 O ASP A 67 13.511 -7.582 7.489 1.00 30.10 O ATOM 1083 CB ASP A 67 13.463 -4.755 6.993 1.00 35.35 C ATOM 1084 CG ASP A 67 13.449 -4.742 8.539 1.00 22.43 C ATOM 1085 OD1 ASP A 67 12.400 -5.089 9.144 1.00 13.53 O ATOM 1086 OD2 ASP A 67 14.475 -4.395 9.153 1.00 71.33 O ATOM 0 H ASP A 67 13.198 -6.043 4.723 1.00 53.54 H new ATOM 0 HA ASP A 67 15.507 -5.286 6.471 1.00 64.43 H new ATOM 0 HB2 ASP A 67 13.643 -3.738 6.645 1.00 35.35 H new ATOM 0 HB3 ASP A 67 12.470 -5.039 6.646 1.00 35.35 H new ATOM 1091 N GLY A 68 15.616 -7.859 6.686 1.00 15.14 N ATOM 1092 CA GLY A 68 15.718 -9.277 7.056 1.00 30.43 C ATOM 1093 C GLY A 68 14.865 -10.154 6.132 1.00 64.24 C ATOM 1094 O GLY A 68 15.061 -10.141 4.912 1.00 10.45 O ATOM 0 H GLY A 68 16.460 -7.481 6.256 1.00 15.14 H new ATOM 0 HA2 GLY A 68 16.759 -9.595 7.004 1.00 30.43 H new ATOM 0 HA3 GLY A 68 15.395 -9.410 8.088 1.00 30.43 H new ATOM 1098 N ASN A 69 13.898 -10.887 6.718 1.00 4.45 N ATOM 1099 CA ASN A 69 12.881 -11.663 5.956 1.00 63.52 C ATOM 1100 C ASN A 69 11.661 -10.776 5.616 1.00 40.42 C ATOM 1101 O ASN A 69 10.816 -11.154 4.800 1.00 22.25 O ATOM 1102 CB ASN A 69 12.422 -12.914 6.759 1.00 73.15 C ATOM 1103 CG ASN A 69 13.535 -13.945 6.961 1.00 22.35 C ATOM 1104 OD1 ASN A 69 13.715 -14.851 6.147 1.00 24.14 O ATOM 1105 ND2 ASN A 69 14.292 -13.817 8.040 1.00 53.44 N ATOM 0 H ASN A 69 13.794 -10.962 7.730 1.00 4.45 H new ATOM 0 HA ASN A 69 13.342 -11.997 5.027 1.00 63.52 H new ATOM 0 HB2 ASN A 69 12.050 -12.596 7.733 1.00 73.15 H new ATOM 0 HB3 ASN A 69 11.589 -13.386 6.238 1.00 73.15 H new ATOM 0 HD21 ASN A 69 15.048 -14.479 8.214 1.00 53.44 H new ATOM 0 HD22 ASN A 69 14.119 -13.056 8.697 1.00 53.44 H new ATOM 1112 N THR A 70 11.602 -9.593 6.234 1.00 3.01 N ATOM 1113 CA THR A 70 10.538 -8.600 6.022 1.00 61.41 C ATOM 1114 C THR A 70 10.956 -7.658 4.866 1.00 54.53 C ATOM 1115 O THR A 70 12.135 -7.586 4.534 1.00 25.44 O ATOM 1116 CB THR A 70 10.309 -7.783 7.346 1.00 30.25 C ATOM 1117 OG1 THR A 70 10.072 -8.686 8.441 1.00 52.32 O ATOM 1118 CG2 THR A 70 9.140 -6.798 7.249 1.00 23.33 C ATOM 0 H THR A 70 12.304 -9.290 6.909 1.00 3.01 H new ATOM 0 HA THR A 70 9.605 -9.098 5.758 1.00 61.41 H new ATOM 0 HB THR A 70 11.214 -7.200 7.513 1.00 30.25 H new ATOM 0 HG1 THR A 70 9.278 -8.397 8.937 1.00 52.32 H new ATOM 0 HG21 THR A 70 9.034 -6.265 8.194 1.00 23.33 H new ATOM 0 HG22 THR A 70 9.332 -6.083 6.449 1.00 23.33 H new ATOM 0 HG23 THR A 70 8.221 -7.344 7.035 1.00 23.33 H new ATOM 1126 N VAL A 71 9.980 -7.017 4.208 1.00 51.25 N ATOM 1127 CA VAL A 71 10.217 -5.982 3.178 1.00 72.43 C ATOM 1128 C VAL A 71 9.511 -4.670 3.598 1.00 64.54 C ATOM 1129 O VAL A 71 8.363 -4.697 4.019 1.00 63.32 O ATOM 1130 CB VAL A 71 9.679 -6.442 1.766 1.00 5.12 C ATOM 1131 CG1 VAL A 71 10.015 -5.405 0.670 1.00 74.25 C ATOM 1132 CG2 VAL A 71 10.216 -7.847 1.386 1.00 23.24 C ATOM 0 H VAL A 71 8.991 -7.201 4.374 1.00 51.25 H new ATOM 0 HA VAL A 71 11.292 -5.821 3.095 1.00 72.43 H new ATOM 0 HB VAL A 71 8.593 -6.510 1.838 1.00 5.12 H new ATOM 0 HG11 VAL A 71 9.631 -5.752 -0.289 1.00 74.25 H new ATOM 0 HG12 VAL A 71 9.555 -4.449 0.921 1.00 74.25 H new ATOM 0 HG13 VAL A 71 11.096 -5.282 0.605 1.00 74.25 H new ATOM 0 HG21 VAL A 71 9.827 -8.133 0.409 1.00 23.24 H new ATOM 0 HG22 VAL A 71 11.305 -7.823 1.350 1.00 23.24 H new ATOM 0 HG23 VAL A 71 9.894 -8.574 2.132 1.00 23.24 H new ATOM 1142 N ASN A 72 10.224 -3.536 3.506 1.00 73.22 N ATOM 1143 CA ASN A 72 9.643 -2.180 3.681 1.00 53.01 C ATOM 1144 C ASN A 72 9.639 -1.457 2.334 1.00 14.31 C ATOM 1145 O ASN A 72 10.683 -1.362 1.672 1.00 74.33 O ATOM 1146 CB ASN A 72 10.445 -1.330 4.702 1.00 73.35 C ATOM 1147 CG ASN A 72 10.262 -1.778 6.150 1.00 42.13 C ATOM 1148 OD1 ASN A 72 9.431 -1.242 6.879 1.00 4.14 O ATOM 1149 ND2 ASN A 72 11.021 -2.768 6.569 1.00 70.02 N ATOM 0 H ASN A 72 11.224 -3.526 3.308 1.00 73.22 H new ATOM 0 HA ASN A 72 8.629 -2.301 4.063 1.00 53.01 H new ATOM 0 HB2 ASN A 72 11.504 -1.376 4.448 1.00 73.35 H new ATOM 0 HB3 ASN A 72 10.141 -0.287 4.612 1.00 73.35 H new ATOM 0 HD21 ASN A 72 10.929 -3.112 7.525 1.00 70.02 H new ATOM 0 HD22 ASN A 72 11.701 -3.191 5.938 1.00 70.02 H new ATOM 1156 N VAL A 73 8.467 -0.967 1.921 1.00 22.45 N ATOM 1157 CA VAL A 73 8.356 -0.063 0.777 1.00 10.02 C ATOM 1158 C VAL A 73 8.298 1.376 1.302 1.00 42.05 C ATOM 1159 O VAL A 73 7.275 1.818 1.849 1.00 24.31 O ATOM 1160 CB VAL A 73 7.103 -0.376 -0.114 1.00 12.13 C ATOM 1161 CG1 VAL A 73 7.051 0.558 -1.355 1.00 14.10 C ATOM 1162 CG2 VAL A 73 7.096 -1.865 -0.529 1.00 13.11 C ATOM 0 H VAL A 73 7.576 -1.185 2.367 1.00 22.45 H new ATOM 0 HA VAL A 73 9.228 -0.202 0.138 1.00 10.02 H new ATOM 0 HB VAL A 73 6.206 -0.184 0.475 1.00 12.13 H new ATOM 0 HG11 VAL A 73 6.173 0.318 -1.954 1.00 14.10 H new ATOM 0 HG12 VAL A 73 6.995 1.596 -1.027 1.00 14.10 H new ATOM 0 HG13 VAL A 73 7.949 0.416 -1.955 1.00 14.10 H new ATOM 0 HG21 VAL A 73 6.221 -2.066 -1.147 1.00 13.11 H new ATOM 0 HG22 VAL A 73 8.000 -2.089 -1.096 1.00 13.11 H new ATOM 0 HG23 VAL A 73 7.063 -2.491 0.363 1.00 13.11 H new ATOM 1172 N THR A 74 9.422 2.074 1.161 1.00 14.22 N ATOM 1173 CA THR A 74 9.545 3.491 1.467 1.00 4.34 C ATOM 1174 C THR A 74 9.126 4.275 0.209 1.00 61.22 C ATOM 1175 O THR A 74 9.883 4.367 -0.762 1.00 5.43 O ATOM 1176 CB THR A 74 11.017 3.816 1.882 1.00 13.25 C ATOM 1177 OG1 THR A 74 11.401 2.967 2.979 1.00 52.35 O ATOM 1178 CG2 THR A 74 11.206 5.289 2.287 1.00 13.25 C ATOM 0 H THR A 74 10.290 1.658 0.823 1.00 14.22 H new ATOM 0 HA THR A 74 8.904 3.773 2.302 1.00 4.34 H new ATOM 0 HB THR A 74 11.649 3.634 1.012 1.00 13.25 H new ATOM 0 HG1 THR A 74 12.324 3.167 3.240 1.00 52.35 H new ATOM 0 HG21 THR A 74 12.246 5.459 2.566 1.00 13.25 H new ATOM 0 HG22 THR A 74 10.945 5.934 1.448 1.00 13.25 H new ATOM 0 HG23 THR A 74 10.561 5.519 3.135 1.00 13.25 H new ATOM 1186 N VAL A 75 7.901 4.802 0.240 1.00 33.44 N ATOM 1187 CA VAL A 75 7.246 5.440 -0.908 1.00 20.00 C ATOM 1188 C VAL A 75 6.817 6.874 -0.537 1.00 21.52 C ATOM 1189 O VAL A 75 6.095 7.097 0.438 1.00 4.22 O ATOM 1190 CB VAL A 75 6.022 4.574 -1.416 1.00 2.23 C ATOM 1191 CG1 VAL A 75 5.068 4.200 -0.262 1.00 3.44 C ATOM 1192 CG2 VAL A 75 5.265 5.268 -2.584 1.00 31.45 C ATOM 0 H VAL A 75 7.323 4.798 1.080 1.00 33.44 H new ATOM 0 HA VAL A 75 7.957 5.501 -1.732 1.00 20.00 H new ATOM 0 HB VAL A 75 6.433 3.644 -1.809 1.00 2.23 H new ATOM 0 HG11 VAL A 75 4.241 3.606 -0.651 1.00 3.44 H new ATOM 0 HG12 VAL A 75 5.610 3.621 0.485 1.00 3.44 H new ATOM 0 HG13 VAL A 75 4.678 5.109 0.196 1.00 3.44 H new ATOM 0 HG21 VAL A 75 4.433 4.640 -2.902 1.00 31.45 H new ATOM 0 HG22 VAL A 75 4.884 6.233 -2.248 1.00 31.45 H new ATOM 0 HG23 VAL A 75 5.947 5.418 -3.421 1.00 31.45 H new ATOM 1202 N GLU A 76 7.303 7.835 -1.317 1.00 61.25 N ATOM 1203 CA GLU A 76 7.028 9.257 -1.140 1.00 72.21 C ATOM 1204 C GLU A 76 5.773 9.641 -1.947 1.00 72.32 C ATOM 1205 O GLU A 76 5.692 9.339 -3.150 1.00 13.01 O ATOM 1206 CB GLU A 76 8.244 10.046 -1.652 1.00 73.02 C ATOM 1207 CG GLU A 76 8.116 11.576 -1.538 1.00 0.54 C ATOM 1208 CD GLU A 76 9.115 12.306 -2.440 1.00 4.12 C ATOM 1209 OE1 GLU A 76 10.267 12.519 -2.013 1.00 4.32 O ATOM 1210 OE2 GLU A 76 8.763 12.631 -3.596 1.00 52.22 O ATOM 0 H GLU A 76 7.915 7.641 -2.110 1.00 61.25 H new ATOM 0 HA GLU A 76 6.851 9.485 -0.089 1.00 72.21 H new ATOM 0 HB2 GLU A 76 9.126 9.727 -1.097 1.00 73.02 H new ATOM 0 HB3 GLU A 76 8.414 9.787 -2.697 1.00 73.02 H new ATOM 0 HG2 GLU A 76 7.102 11.875 -1.804 1.00 0.54 H new ATOM 0 HG3 GLU A 76 8.276 11.877 -0.503 1.00 0.54 H new ATOM 1217 N LEU A 77 4.799 10.289 -1.285 1.00 54.54 N ATOM 1218 CA LEU A 77 3.571 10.793 -1.937 1.00 43.43 C ATOM 1219 C LEU A 77 3.377 12.278 -1.605 1.00 71.45 C ATOM 1220 O LEU A 77 3.686 12.718 -0.490 1.00 31.12 O ATOM 1221 CB LEU A 77 2.303 10.001 -1.496 1.00 32.32 C ATOM 1222 CG LEU A 77 2.301 8.454 -1.771 1.00 44.12 C ATOM 1223 CD1 LEU A 77 2.984 7.662 -0.638 1.00 5.12 C ATOM 1224 CD2 LEU A 77 0.876 7.937 -2.039 1.00 75.33 C ATOM 0 H LEU A 77 4.838 10.480 -0.284 1.00 54.54 H new ATOM 0 HA LEU A 77 3.696 10.657 -3.011 1.00 43.43 H new ATOM 0 HB2 LEU A 77 2.161 10.156 -0.426 1.00 32.32 H new ATOM 0 HB3 LEU A 77 1.439 10.436 -1.998 1.00 32.32 H new ATOM 0 HG LEU A 77 2.891 8.289 -2.672 1.00 44.12 H new ATOM 0 HD11 LEU A 77 2.959 6.598 -0.872 1.00 5.12 H new ATOM 0 HD12 LEU A 77 4.020 7.987 -0.540 1.00 5.12 H new ATOM 0 HD13 LEU A 77 2.457 7.840 0.299 1.00 5.12 H new ATOM 0 HD21 LEU A 77 0.908 6.864 -2.226 1.00 75.33 H new ATOM 0 HD22 LEU A 77 0.247 8.136 -1.171 1.00 75.33 H new ATOM 0 HD23 LEU A 77 0.463 8.445 -2.910 1.00 75.33 H new ATOM 1236 N GLU A 78 2.869 13.038 -2.588 1.00 74.31 N ATOM 1237 CA GLU A 78 2.483 14.448 -2.393 1.00 31.53 C ATOM 1238 C GLU A 78 1.003 14.515 -1.997 1.00 62.24 C ATOM 1239 O GLU A 78 0.121 14.246 -2.824 1.00 53.51 O ATOM 1240 CB GLU A 78 2.735 15.282 -3.674 1.00 25.43 C ATOM 1241 CG GLU A 78 4.218 15.470 -4.027 1.00 62.31 C ATOM 1242 CD GLU A 78 4.439 16.374 -5.249 1.00 35.34 C ATOM 1243 OE1 GLU A 78 4.567 17.601 -5.080 1.00 32.43 O ATOM 1244 OE2 GLU A 78 4.446 15.873 -6.385 1.00 50.33 O ATOM 0 H GLU A 78 2.714 12.696 -3.537 1.00 74.31 H new ATOM 0 HA GLU A 78 3.096 14.872 -1.598 1.00 31.53 H new ATOM 0 HB2 GLU A 78 2.233 14.799 -4.512 1.00 25.43 H new ATOM 0 HB3 GLU A 78 2.276 16.263 -3.550 1.00 25.43 H new ATOM 0 HG2 GLU A 78 4.738 15.896 -3.169 1.00 62.31 H new ATOM 0 HG3 GLU A 78 4.666 14.495 -4.219 1.00 62.31 H new ATOM 1251 N GLU A 79 0.744 14.855 -0.722 1.00 34.34 N ATOM 1252 CA GLU A 79 -0.615 14.942 -0.177 1.00 71.14 C ATOM 1253 C GLU A 79 -1.183 16.341 -0.430 1.00 21.44 C ATOM 1254 O GLU A 79 -0.807 17.304 0.241 1.00 54.55 O ATOM 1255 CB GLU A 79 -0.625 14.623 1.336 1.00 52.33 C ATOM 1256 CG GLU A 79 0.036 13.279 1.703 1.00 23.11 C ATOM 1257 CD GLU A 79 -0.311 12.825 3.121 1.00 74.11 C ATOM 1258 OE1 GLU A 79 -1.377 12.201 3.302 1.00 3.44 O ATOM 1259 OE2 GLU A 79 0.455 13.120 4.059 1.00 61.31 O ATOM 0 H GLU A 79 1.473 15.076 -0.044 1.00 34.34 H new ATOM 0 HA GLU A 79 -1.240 14.204 -0.680 1.00 71.14 H new ATOM 0 HB2 GLU A 79 -0.113 15.424 1.868 1.00 52.33 H new ATOM 0 HB3 GLU A 79 -1.657 14.616 1.688 1.00 52.33 H new ATOM 0 HG2 GLU A 79 -0.281 12.516 0.993 1.00 23.11 H new ATOM 0 HG3 GLU A 79 1.118 13.372 1.609 1.00 23.11 H new ATOM 1266 N THR A 80 -2.059 16.412 -1.426 1.00 21.02 N ATOM 1267 CA THR A 80 -2.798 17.606 -1.826 1.00 14.53 C ATOM 1268 C THR A 80 -4.176 17.619 -1.123 1.00 34.23 C ATOM 1269 O THR A 80 -5.072 16.834 -1.465 1.00 71.01 O ATOM 1270 CB THR A 80 -2.958 17.622 -3.382 1.00 40.33 C ATOM 1271 OG1 THR A 80 -1.662 17.554 -3.994 1.00 74.42 O ATOM 1272 CG2 THR A 80 -3.694 18.869 -3.903 1.00 41.32 C ATOM 0 H THR A 80 -2.284 15.602 -2.004 1.00 21.02 H new ATOM 0 HA THR A 80 -2.253 18.501 -1.528 1.00 14.53 H new ATOM 0 HB THR A 80 -3.565 16.756 -3.646 1.00 40.33 H new ATOM 0 HG1 THR A 80 -1.760 17.562 -4.969 1.00 74.42 H new ATOM 0 HG21 THR A 80 -3.772 18.818 -4.989 1.00 41.32 H new ATOM 0 HG22 THR A 80 -4.693 18.910 -3.469 1.00 41.32 H new ATOM 0 HG23 THR A 80 -3.139 19.764 -3.620 1.00 41.32 H new ATOM 1280 N THR A 81 -4.303 18.500 -0.119 1.00 44.02 N ATOM 1281 CA THR A 81 -5.512 18.657 0.696 1.00 44.43 C ATOM 1282 C THR A 81 -5.676 20.143 1.082 1.00 75.54 C ATOM 1283 O THR A 81 -4.780 20.726 1.700 1.00 3.31 O ATOM 1284 CB THR A 81 -5.474 17.736 1.974 1.00 34.42 C ATOM 1285 OG1 THR A 81 -6.609 17.997 2.821 1.00 1.41 O ATOM 1286 CG2 THR A 81 -4.165 17.876 2.790 1.00 60.23 C ATOM 0 H THR A 81 -3.552 19.135 0.152 1.00 44.02 H new ATOM 0 HA THR A 81 -6.375 18.342 0.109 1.00 44.43 H new ATOM 0 HB THR A 81 -5.513 16.709 1.610 1.00 34.42 H new ATOM 0 HG1 THR A 81 -6.483 17.550 3.684 1.00 1.41 H new ATOM 0 HG21 THR A 81 -4.204 17.215 3.656 1.00 60.23 H new ATOM 0 HG22 THR A 81 -3.315 17.604 2.164 1.00 60.23 H new ATOM 0 HG23 THR A 81 -4.054 18.907 3.125 1.00 60.23 H new ATOM 1294 N GLY A 82 -6.794 20.760 0.643 1.00 1.12 N ATOM 1295 CA GLY A 82 -7.134 22.150 0.987 1.00 23.34 C ATOM 1296 C GLY A 82 -6.119 23.193 0.500 1.00 1.40 C ATOM 1297 O GLY A 82 -6.036 24.288 1.066 1.00 10.05 O ATOM 0 H GLY A 82 -7.482 20.307 0.042 1.00 1.12 H new ATOM 0 HA2 GLY A 82 -8.110 22.387 0.564 1.00 23.34 H new ATOM 0 HA3 GLY A 82 -7.227 22.230 2.070 1.00 23.34 H new ATOM 1301 N GLY A 83 -5.343 22.839 -0.543 1.00 23.33 N ATOM 1302 CA GLY A 83 -4.311 23.718 -1.105 1.00 71.05 C ATOM 1303 C GLY A 83 -2.897 23.308 -0.701 1.00 75.10 C ATOM 1304 O GLY A 83 -1.929 23.642 -1.402 1.00 65.21 O ATOM 0 H GLY A 83 -5.417 21.938 -1.015 1.00 23.33 H new ATOM 0 HA2 GLY A 83 -4.389 23.712 -2.192 1.00 71.05 H new ATOM 0 HA3 GLY A 83 -4.495 24.741 -0.778 1.00 71.05 H new ATOM 1308 N THR A 84 -2.783 22.573 0.414 1.00 34.13 N ATOM 1309 CA THR A 84 -1.494 22.159 0.986 1.00 33.20 C ATOM 1310 C THR A 84 -0.997 20.887 0.284 1.00 23.32 C ATOM 1311 O THR A 84 -1.719 19.897 0.228 1.00 42.21 O ATOM 1312 CB THR A 84 -1.643 21.892 2.525 1.00 21.53 C ATOM 1313 OG1 THR A 84 -2.192 23.056 3.156 1.00 61.12 O ATOM 1314 CG2 THR A 84 -0.301 21.533 3.204 1.00 64.21 C ATOM 0 H THR A 84 -3.588 22.247 0.948 1.00 34.13 H new ATOM 0 HA THR A 84 -0.770 22.960 0.836 1.00 33.20 H new ATOM 0 HB THR A 84 -2.306 21.035 2.641 1.00 21.53 H new ATOM 0 HG1 THR A 84 -2.288 22.892 4.117 1.00 61.12 H new ATOM 0 HG21 THR A 84 -0.466 21.359 4.267 1.00 64.21 H new ATOM 0 HG22 THR A 84 0.108 20.631 2.748 1.00 64.21 H new ATOM 0 HG23 THR A 84 0.403 22.355 3.076 1.00 64.21 H new ATOM 1322 N THR A 85 0.224 20.937 -0.266 1.00 13.31 N ATOM 1323 CA THR A 85 0.870 19.793 -0.935 1.00 20.40 C ATOM 1324 C THR A 85 2.253 19.583 -0.309 1.00 5.32 C ATOM 1325 O THR A 85 3.147 20.421 -0.472 1.00 4.31 O ATOM 1326 CB THR A 85 0.989 20.027 -2.475 1.00 4.53 C ATOM 1327 OG1 THR A 85 -0.321 20.273 -3.020 1.00 61.34 O ATOM 1328 CG2 THR A 85 1.640 18.831 -3.211 1.00 35.40 C ATOM 0 H THR A 85 0.799 21.780 -0.260 1.00 13.31 H new ATOM 0 HA THR A 85 0.259 18.901 -0.795 1.00 20.40 H new ATOM 0 HB THR A 85 1.638 20.890 -2.626 1.00 4.53 H new ATOM 0 HG1 THR A 85 -0.717 19.426 -3.315 1.00 61.34 H new ATOM 0 HG21 THR A 85 1.698 19.048 -4.278 1.00 35.40 H new ATOM 0 HG22 THR A 85 2.644 18.666 -2.820 1.00 35.40 H new ATOM 0 HG23 THR A 85 1.038 17.936 -3.055 1.00 35.40 H new ATOM 1336 N THR A 86 2.397 18.479 0.434 1.00 21.45 N ATOM 1337 CA THR A 86 3.627 18.130 1.153 1.00 2.24 C ATOM 1338 C THR A 86 4.083 16.716 0.758 1.00 43.04 C ATOM 1339 O THR A 86 3.256 15.796 0.677 1.00 23.40 O ATOM 1340 CB THR A 86 3.392 18.206 2.702 1.00 14.13 C ATOM 1341 OG1 THR A 86 2.884 19.510 3.044 1.00 64.32 O ATOM 1342 CG2 THR A 86 4.679 17.940 3.512 1.00 22.24 C ATOM 0 H THR A 86 1.651 17.794 0.554 1.00 21.45 H new ATOM 0 HA THR A 86 4.406 18.843 0.882 1.00 2.24 H new ATOM 0 HB THR A 86 2.674 17.427 2.959 1.00 14.13 H new ATOM 0 HG1 THR A 86 2.735 19.560 4.011 1.00 64.32 H new ATOM 0 HG21 THR A 86 4.458 18.005 4.577 1.00 22.24 H new ATOM 0 HG22 THR A 86 5.056 16.944 3.280 1.00 22.24 H new ATOM 0 HG23 THR A 86 5.433 18.683 3.252 1.00 22.24 H new ATOM 1350 N ASN A 87 5.401 16.553 0.514 1.00 50.32 N ATOM 1351 CA ASN A 87 6.006 15.240 0.259 1.00 41.45 C ATOM 1352 C ASN A 87 6.165 14.527 1.606 1.00 22.45 C ATOM 1353 O ASN A 87 7.072 14.837 2.396 1.00 32.51 O ATOM 1354 CB ASN A 87 7.384 15.382 -0.446 1.00 13.52 C ATOM 1355 CG ASN A 87 7.281 15.973 -1.853 1.00 32.52 C ATOM 1356 OD1 ASN A 87 7.295 17.187 -2.038 1.00 55.32 O ATOM 1357 ND2 ASN A 87 7.200 15.121 -2.859 1.00 2.11 N ATOM 0 H ASN A 87 6.066 17.326 0.490 1.00 50.32 H new ATOM 0 HA ASN A 87 5.364 14.662 -0.406 1.00 41.45 H new ATOM 0 HB2 ASN A 87 8.032 16.015 0.161 1.00 13.52 H new ATOM 0 HB3 ASN A 87 7.858 14.402 -0.504 1.00 13.52 H new ATOM 0 HD21 ASN A 87 7.147 15.467 -3.817 1.00 2.11 H new ATOM 0 HD22 ASN A 87 7.190 14.117 -2.678 1.00 2.11 H new ATOM 1364 N THR A 88 5.230 13.616 1.873 1.00 43.42 N ATOM 1365 CA THR A 88 5.202 12.813 3.088 1.00 73.22 C ATOM 1366 C THR A 88 5.647 11.391 2.754 1.00 35.54 C ATOM 1367 O THR A 88 5.178 10.793 1.770 1.00 22.21 O ATOM 1368 CB THR A 88 3.774 12.803 3.715 1.00 63.15 C ATOM 1369 OG1 THR A 88 3.341 14.158 3.933 1.00 31.42 O ATOM 1370 CG2 THR A 88 3.724 12.032 5.053 1.00 31.44 C ATOM 0 H THR A 88 4.458 13.414 1.237 1.00 43.42 H new ATOM 0 HA THR A 88 5.883 13.248 3.820 1.00 73.22 H new ATOM 0 HB THR A 88 3.112 12.293 3.015 1.00 63.15 H new ATOM 0 HG1 THR A 88 2.365 14.179 4.023 1.00 31.42 H new ATOM 0 HG21 THR A 88 2.708 12.055 5.448 1.00 31.44 H new ATOM 0 HG22 THR A 88 4.026 10.998 4.889 1.00 31.44 H new ATOM 0 HG23 THR A 88 4.402 12.499 5.768 1.00 31.44 H new ATOM 1378 N THR A 89 6.558 10.853 3.570 1.00 75.22 N ATOM 1379 CA THR A 89 7.121 9.528 3.354 1.00 11.12 C ATOM 1380 C THR A 89 6.250 8.480 4.066 1.00 2.01 C ATOM 1381 O THR A 89 6.013 8.576 5.265 1.00 31.11 O ATOM 1382 CB THR A 89 8.589 9.459 3.876 1.00 22.52 C ATOM 1383 OG1 THR A 89 9.343 10.574 3.360 1.00 11.21 O ATOM 1384 CG2 THR A 89 9.280 8.146 3.464 1.00 34.35 C ATOM 0 H THR A 89 6.922 11.327 4.396 1.00 75.22 H new ATOM 0 HA THR A 89 7.135 9.320 2.284 1.00 11.12 H new ATOM 0 HB THR A 89 8.554 9.499 4.965 1.00 22.52 H new ATOM 0 HG1 THR A 89 10.264 10.528 3.692 1.00 11.21 H new ATOM 0 HG21 THR A 89 10.301 8.136 3.847 1.00 34.35 H new ATOM 0 HG22 THR A 89 8.730 7.300 3.877 1.00 34.35 H new ATOM 0 HG23 THR A 89 9.299 8.071 2.377 1.00 34.35 H new ATOM 1392 N TYR A 90 5.758 7.511 3.304 1.00 34.35 N ATOM 1393 CA TYR A 90 4.975 6.380 3.809 1.00 21.31 C ATOM 1394 C TYR A 90 5.871 5.140 3.805 1.00 42.31 C ATOM 1395 O TYR A 90 6.479 4.829 2.788 1.00 63.40 O ATOM 1396 CB TYR A 90 3.728 6.149 2.910 1.00 31.23 C ATOM 1397 CG TYR A 90 2.542 7.093 3.186 1.00 55.34 C ATOM 1398 CD1 TYR A 90 2.610 8.468 2.933 1.00 11.33 C ATOM 1399 CD2 TYR A 90 1.347 6.586 3.698 1.00 21.15 C ATOM 1400 CE1 TYR A 90 1.526 9.290 3.184 1.00 53.12 C ATOM 1401 CE2 TYR A 90 0.274 7.395 3.946 1.00 44.10 C ATOM 1402 CZ TYR A 90 0.364 8.743 3.694 1.00 63.43 C ATOM 1403 OH TYR A 90 -0.716 9.539 3.966 1.00 33.24 O ATOM 0 H TYR A 90 5.893 7.485 2.293 1.00 34.35 H new ATOM 0 HA TYR A 90 4.627 6.585 4.822 1.00 21.31 H new ATOM 0 HB2 TYR A 90 4.025 6.259 1.867 1.00 31.23 H new ATOM 0 HB3 TYR A 90 3.392 5.120 3.039 1.00 31.23 H new ATOM 0 HD1 TYR A 90 3.521 8.893 2.537 1.00 11.33 H new ATOM 0 HD2 TYR A 90 1.268 5.529 3.903 1.00 21.15 H new ATOM 0 HE1 TYR A 90 1.587 10.349 2.983 1.00 53.12 H new ATOM 0 HE2 TYR A 90 -0.641 6.977 4.338 1.00 44.10 H new ATOM 0 HH TYR A 90 -0.712 10.312 3.364 1.00 33.24 H new ATOM 1413 N GLU A 91 5.975 4.455 4.950 1.00 3.22 N ATOM 1414 CA GLU A 91 6.754 3.214 5.073 1.00 31.43 C ATOM 1415 C GLU A 91 5.781 2.068 5.353 1.00 33.20 C ATOM 1416 O GLU A 91 5.239 1.958 6.458 1.00 74.32 O ATOM 1417 CB GLU A 91 7.799 3.355 6.204 1.00 1.23 C ATOM 1418 CG GLU A 91 8.764 4.547 6.024 1.00 14.20 C ATOM 1419 CD GLU A 91 9.778 4.670 7.167 1.00 14.00 C ATOM 1420 OE1 GLU A 91 9.352 4.895 8.326 1.00 31.22 O ATOM 1421 OE2 GLU A 91 11.002 4.554 6.921 1.00 43.31 O ATOM 0 H GLU A 91 5.523 4.744 5.817 1.00 3.22 H new ATOM 0 HA GLU A 91 7.298 3.008 4.151 1.00 31.43 H new ATOM 0 HB2 GLU A 91 7.277 3.464 7.155 1.00 1.23 H new ATOM 0 HB3 GLU A 91 8.381 2.435 6.263 1.00 1.23 H new ATOM 0 HG2 GLU A 91 9.299 4.436 5.081 1.00 14.20 H new ATOM 0 HG3 GLU A 91 8.186 5.469 5.956 1.00 14.20 H new ATOM 1428 N LEU A 92 5.521 1.264 4.320 1.00 75.23 N ATOM 1429 CA LEU A 92 4.604 0.125 4.391 1.00 63.03 C ATOM 1430 C LEU A 92 5.434 -1.141 4.600 1.00 64.35 C ATOM 1431 O LEU A 92 6.127 -1.596 3.681 1.00 73.11 O ATOM 1432 CB LEU A 92 3.734 0.019 3.105 1.00 12.14 C ATOM 1433 CG LEU A 92 2.723 1.186 2.836 1.00 24.04 C ATOM 1434 CD1 LEU A 92 3.423 2.497 2.447 1.00 64.12 C ATOM 1435 CD2 LEU A 92 1.659 0.792 1.787 1.00 53.13 C ATOM 0 H LEU A 92 5.946 1.387 3.401 1.00 75.23 H new ATOM 0 HA LEU A 92 3.915 0.259 5.225 1.00 63.03 H new ATOM 0 HB2 LEU A 92 4.403 -0.055 2.248 1.00 12.14 H new ATOM 0 HB3 LEU A 92 3.171 -0.913 3.152 1.00 12.14 H new ATOM 0 HG LEU A 92 2.211 1.368 3.781 1.00 24.04 H new ATOM 0 HD11 LEU A 92 2.675 3.271 2.272 1.00 64.12 H new ATOM 0 HD12 LEU A 92 4.086 2.809 3.254 1.00 64.12 H new ATOM 0 HD13 LEU A 92 4.005 2.343 1.538 1.00 64.12 H new ATOM 0 HD21 LEU A 92 0.977 1.628 1.629 1.00 53.13 H new ATOM 0 HD22 LEU A 92 2.150 0.541 0.847 1.00 53.13 H new ATOM 0 HD23 LEU A 92 1.098 -0.071 2.145 1.00 53.13 H new ATOM 1447 N ARG A 93 5.376 -1.684 5.823 1.00 60.25 N ATOM 1448 CA ARG A 93 6.172 -2.842 6.218 1.00 52.34 C ATOM 1449 C ARG A 93 5.377 -4.122 5.922 1.00 15.01 C ATOM 1450 O ARG A 93 4.475 -4.501 6.677 1.00 11.42 O ATOM 1451 CB ARG A 93 6.555 -2.737 7.722 1.00 33.24 C ATOM 1452 CG ARG A 93 7.632 -3.748 8.157 1.00 42.33 C ATOM 1453 CD ARG A 93 8.119 -3.549 9.600 1.00 44.32 C ATOM 1454 NE ARG A 93 9.262 -4.436 9.917 1.00 4.42 N ATOM 1455 CZ ARG A 93 9.278 -5.381 10.871 1.00 54.30 C ATOM 1456 NH1 ARG A 93 8.218 -5.595 11.652 1.00 11.35 N ATOM 1457 NH2 ARG A 93 10.372 -6.094 11.049 1.00 54.15 N ATOM 0 H ARG A 93 4.773 -1.328 6.564 1.00 60.25 H new ATOM 0 HA ARG A 93 7.100 -2.873 5.646 1.00 52.34 H new ATOM 0 HB2 ARG A 93 6.912 -1.728 7.928 1.00 33.24 H new ATOM 0 HB3 ARG A 93 5.661 -2.888 8.327 1.00 33.24 H new ATOM 0 HG2 ARG A 93 7.233 -4.757 8.053 1.00 42.33 H new ATOM 0 HG3 ARG A 93 8.484 -3.671 7.482 1.00 42.33 H new ATOM 0 HD2 ARG A 93 8.413 -2.510 9.745 1.00 44.32 H new ATOM 0 HD3 ARG A 93 7.300 -3.748 10.292 1.00 44.32 H new ATOM 0 HE ARG A 93 10.110 -4.319 9.363 1.00 4.42 H new ATOM 0 HH11 ARG A 93 7.374 -5.036 11.531 1.00 11.35 H new ATOM 0 HH12 ARG A 93 8.252 -6.318 12.371 1.00 11.35 H new ATOM 0 HH21 ARG A 93 11.192 -5.925 10.466 1.00 54.15 H new ATOM 0 HH22 ARG A 93 10.399 -6.815 11.770 1.00 54.15 H new ATOM 1471 N PHE A 94 5.702 -4.739 4.783 1.00 1.14 N ATOM 1472 CA PHE A 94 5.114 -5.996 4.326 1.00 12.54 C ATOM 1473 C PHE A 94 5.938 -7.168 4.871 1.00 31.13 C ATOM 1474 O PHE A 94 7.071 -7.385 4.439 1.00 33.23 O ATOM 1475 CB PHE A 94 5.092 -6.014 2.775 1.00 30.32 C ATOM 1476 CG PHE A 94 4.149 -4.986 2.170 1.00 64.04 C ATOM 1477 CD1 PHE A 94 4.620 -3.772 1.677 1.00 52.41 C ATOM 1478 CD2 PHE A 94 2.778 -5.236 2.106 1.00 12.11 C ATOM 1479 CE1 PHE A 94 3.757 -2.849 1.137 1.00 23.32 C ATOM 1480 CE2 PHE A 94 1.920 -4.308 1.566 1.00 64.24 C ATOM 1481 CZ PHE A 94 2.408 -3.114 1.084 1.00 73.11 C ATOM 0 H PHE A 94 6.399 -4.367 4.138 1.00 1.14 H new ATOM 0 HA PHE A 94 4.092 -6.089 4.692 1.00 12.54 H new ATOM 0 HB2 PHE A 94 6.101 -5.833 2.403 1.00 30.32 H new ATOM 0 HB3 PHE A 94 4.800 -7.008 2.435 1.00 30.32 H new ATOM 0 HD1 PHE A 94 5.677 -3.553 1.720 1.00 52.41 H new ATOM 0 HD2 PHE A 94 2.387 -6.169 2.485 1.00 12.11 H new ATOM 0 HE1 PHE A 94 4.138 -1.914 0.754 1.00 23.32 H new ATOM 0 HE2 PHE A 94 0.861 -4.516 1.520 1.00 64.24 H new ATOM 0 HZ PHE A 94 1.731 -2.385 0.664 1.00 73.11 H new ATOM 1491 N GLU A 95 5.360 -7.922 5.819 1.00 52.41 N ATOM 1492 CA GLU A 95 6.053 -9.034 6.483 1.00 3.21 C ATOM 1493 C GLU A 95 5.478 -10.370 5.987 1.00 0.31 C ATOM 1494 O GLU A 95 4.255 -10.565 5.961 1.00 44.52 O ATOM 1495 CB GLU A 95 5.971 -8.897 8.019 1.00 72.34 C ATOM 1496 CG GLU A 95 6.842 -9.916 8.784 1.00 24.41 C ATOM 1497 CD GLU A 95 7.027 -9.536 10.253 1.00 61.25 C ATOM 1498 OE1 GLU A 95 7.931 -8.720 10.551 1.00 24.50 O ATOM 1499 OE2 GLU A 95 6.246 -9.996 11.104 1.00 55.42 O ATOM 0 H GLU A 95 4.404 -7.778 6.145 1.00 52.41 H new ATOM 0 HA GLU A 95 7.111 -9.006 6.224 1.00 3.21 H new ATOM 0 HB2 GLU A 95 6.276 -7.889 8.301 1.00 72.34 H new ATOM 0 HB3 GLU A 95 4.933 -9.015 8.330 1.00 72.34 H new ATOM 0 HG2 GLU A 95 6.382 -10.902 8.722 1.00 24.41 H new ATOM 0 HG3 GLU A 95 7.818 -9.988 8.304 1.00 24.41 H new ATOM 1506 N VAL A 96 6.398 -11.274 5.616 1.00 12.34 N ATOM 1507 CA VAL A 96 6.106 -12.523 4.888 1.00 1.33 C ATOM 1508 C VAL A 96 5.688 -13.643 5.855 1.00 11.33 C ATOM 1509 O VAL A 96 6.049 -13.627 7.038 1.00 1.41 O ATOM 1510 CB VAL A 96 7.351 -12.972 4.021 1.00 63.44 C ATOM 1511 CG1 VAL A 96 7.823 -11.804 3.134 1.00 14.22 C ATOM 1512 CG2 VAL A 96 8.519 -13.511 4.892 1.00 2.30 C ATOM 0 H VAL A 96 7.391 -11.156 5.818 1.00 12.34 H new ATOM 0 HA VAL A 96 5.271 -12.329 4.215 1.00 1.33 H new ATOM 0 HB VAL A 96 7.028 -13.798 3.387 1.00 63.44 H new ATOM 0 HG11 VAL A 96 8.680 -12.121 2.540 1.00 14.22 H new ATOM 0 HG12 VAL A 96 7.014 -11.502 2.470 1.00 14.22 H new ATOM 0 HG13 VAL A 96 8.109 -10.962 3.764 1.00 14.22 H new ATOM 0 HG21 VAL A 96 9.348 -13.805 4.248 1.00 2.30 H new ATOM 0 HG22 VAL A 96 8.851 -12.732 5.578 1.00 2.30 H new ATOM 0 HG23 VAL A 96 8.179 -14.375 5.463 1.00 2.30 H new ATOM 1522 N ASP A 97 4.874 -14.568 5.341 1.00 13.11 N ATOM 1523 CA ASP A 97 4.442 -15.772 6.060 1.00 53.33 C ATOM 1524 C ASP A 97 4.349 -16.937 5.042 1.00 72.41 C ATOM 1525 O ASP A 97 3.364 -17.051 4.291 1.00 5.14 O ATOM 1526 CB ASP A 97 3.083 -15.520 6.760 1.00 24.42 C ATOM 1527 CG ASP A 97 2.594 -16.739 7.551 1.00 50.31 C ATOM 1528 OD1 ASP A 97 3.052 -16.941 8.688 1.00 42.10 O ATOM 1529 OD2 ASP A 97 1.782 -17.523 7.031 1.00 23.33 O ATOM 0 H ASP A 97 4.490 -14.502 4.399 1.00 13.11 H new ATOM 0 HA ASP A 97 5.161 -16.031 6.837 1.00 53.33 H new ATOM 0 HB2 ASP A 97 3.178 -14.668 7.433 1.00 24.42 H new ATOM 0 HB3 ASP A 97 2.337 -15.253 6.012 1.00 24.42 H new ATOM 1534 N GLY A 98 5.407 -17.764 5.006 1.00 34.42 N ATOM 1535 CA GLY A 98 5.535 -18.843 4.033 1.00 33.40 C ATOM 1536 C GLY A 98 5.911 -18.300 2.662 1.00 15.51 C ATOM 1537 O GLY A 98 7.043 -17.848 2.464 1.00 23.41 O ATOM 0 H GLY A 98 6.193 -17.697 5.653 1.00 34.42 H new ATOM 0 HA2 GLY A 98 6.293 -19.551 4.368 1.00 33.40 H new ATOM 0 HA3 GLY A 98 4.595 -19.390 3.966 1.00 33.40 H new ATOM 1541 N ASP A 99 4.944 -18.304 1.731 1.00 11.22 N ATOM 1542 CA ASP A 99 5.130 -17.818 0.336 1.00 44.45 C ATOM 1543 C ASP A 99 4.266 -16.570 0.061 1.00 11.44 C ATOM 1544 O ASP A 99 4.364 -15.973 -1.015 1.00 4.51 O ATOM 1545 CB ASP A 99 4.773 -18.940 -0.682 1.00 70.34 C ATOM 1546 CG ASP A 99 5.678 -20.179 -0.575 1.00 32.32 C ATOM 1547 OD1 ASP A 99 5.479 -20.994 0.349 1.00 50.24 O ATOM 1548 OD2 ASP A 99 6.614 -20.328 -1.388 1.00 52.21 O ATOM 0 H ASP A 99 4.001 -18.645 1.917 1.00 11.22 H new ATOM 0 HA ASP A 99 6.178 -17.545 0.216 1.00 44.45 H new ATOM 0 HB2 ASP A 99 3.737 -19.243 -0.528 1.00 70.34 H new ATOM 0 HB3 ASP A 99 4.841 -18.537 -1.693 1.00 70.34 H new ATOM 1553 N THR A 100 3.421 -16.180 1.033 1.00 1.33 N ATOM 1554 CA THR A 100 2.484 -15.039 0.891 1.00 22.45 C ATOM 1555 C THR A 100 2.654 -14.057 2.070 1.00 74.42 C ATOM 1556 O THR A 100 2.919 -14.465 3.202 1.00 23.54 O ATOM 1557 CB THR A 100 0.998 -15.545 0.788 1.00 61.50 C ATOM 1558 OG1 THR A 100 0.070 -14.442 0.767 1.00 62.13 O ATOM 1559 CG2 THR A 100 0.640 -16.504 1.935 1.00 33.52 C ATOM 0 H THR A 100 3.365 -16.643 1.940 1.00 1.33 H new ATOM 0 HA THR A 100 2.720 -14.510 -0.032 1.00 22.45 H new ATOM 0 HB THR A 100 0.918 -16.091 -0.152 1.00 61.50 H new ATOM 0 HG1 THR A 100 0.451 -13.704 0.246 1.00 62.13 H new ATOM 0 HG21 THR A 100 -0.394 -16.830 1.827 1.00 33.52 H new ATOM 0 HG22 THR A 100 1.299 -17.371 1.903 1.00 33.52 H new ATOM 0 HG23 THR A 100 0.761 -15.991 2.889 1.00 33.52 H new ATOM 1567 N ILE A 101 2.515 -12.760 1.775 1.00 53.30 N ATOM 1568 CA ILE A 101 2.709 -11.676 2.751 1.00 73.22 C ATOM 1569 C ILE A 101 1.380 -11.405 3.485 1.00 22.23 C ATOM 1570 O ILE A 101 0.438 -10.883 2.899 1.00 4.22 O ATOM 1571 CB ILE A 101 3.211 -10.374 2.030 1.00 71.32 C ATOM 1572 CG1 ILE A 101 4.551 -10.628 1.258 1.00 30.14 C ATOM 1573 CG2 ILE A 101 3.349 -9.206 3.029 1.00 22.40 C ATOM 1574 CD1 ILE A 101 5.050 -9.442 0.433 1.00 11.33 C ATOM 0 H ILE A 101 2.262 -12.428 0.844 1.00 53.30 H new ATOM 0 HA ILE A 101 3.465 -11.977 3.476 1.00 73.22 H new ATOM 0 HB ILE A 101 2.460 -10.093 1.292 1.00 71.32 H new ATOM 0 HG12 ILE A 101 5.322 -10.902 1.978 1.00 30.14 H new ATOM 0 HG13 ILE A 101 4.416 -11.483 0.595 1.00 30.14 H new ATOM 0 HG21 ILE A 101 3.698 -8.317 2.504 1.00 22.40 H new ATOM 0 HG22 ILE A 101 2.380 -9.001 3.485 1.00 22.40 H new ATOM 0 HG23 ILE A 101 4.066 -9.474 3.805 1.00 22.40 H new ATOM 0 HD11 ILE A 101 5.982 -9.711 -0.065 1.00 11.33 H new ATOM 0 HD12 ILE A 101 4.302 -9.179 -0.315 1.00 11.33 H new ATOM 0 HD13 ILE A 101 5.223 -8.589 1.089 1.00 11.33 H new ATOM 1586 N ARG A 102 1.306 -11.774 4.772 1.00 24.25 N ATOM 1587 CA ARG A 102 0.042 -11.705 5.552 1.00 34.43 C ATOM 1588 C ARG A 102 0.014 -10.500 6.509 1.00 12.23 C ATOM 1589 O ARG A 102 -0.926 -10.354 7.300 1.00 10.00 O ATOM 1590 CB ARG A 102 -0.168 -13.036 6.328 1.00 24.35 C ATOM 1591 CG ARG A 102 -0.081 -14.303 5.446 1.00 64.31 C ATOM 1592 CD ARG A 102 -1.098 -14.335 4.291 1.00 23.33 C ATOM 1593 NE ARG A 102 -2.474 -14.592 4.745 1.00 34.32 N ATOM 1594 CZ ARG A 102 -3.470 -15.034 3.956 1.00 62.15 C ATOM 1595 NH1 ARG A 102 -3.257 -15.270 2.659 1.00 31.42 N ATOM 1596 NH2 ARG A 102 -4.670 -15.246 4.467 1.00 22.22 N ATOM 0 H ARG A 102 2.103 -12.125 5.304 1.00 24.25 H new ATOM 0 HA ARG A 102 -0.779 -11.564 4.849 1.00 34.43 H new ATOM 0 HB2 ARG A 102 0.579 -13.105 7.118 1.00 24.35 H new ATOM 0 HB3 ARG A 102 -1.144 -13.011 6.813 1.00 24.35 H new ATOM 0 HG2 ARG A 102 0.925 -14.377 5.032 1.00 64.31 H new ATOM 0 HG3 ARG A 102 -0.233 -15.181 6.074 1.00 64.31 H new ATOM 0 HD2 ARG A 102 -1.068 -13.383 3.761 1.00 23.33 H new ATOM 0 HD3 ARG A 102 -0.806 -15.106 3.578 1.00 23.33 H new ATOM 0 HE ARG A 102 -2.688 -14.423 5.728 1.00 34.32 H new ATOM 0 HH11 ARG A 102 -2.332 -15.115 2.258 1.00 31.42 H new ATOM 0 HH12 ARG A 102 -4.019 -15.605 2.070 1.00 31.42 H new ATOM 0 HH21 ARG A 102 -4.840 -15.075 5.458 1.00 22.22 H new ATOM 0 HH22 ARG A 102 -5.426 -15.581 3.870 1.00 22.22 H new ATOM 1610 N ARG A 103 1.040 -9.630 6.419 1.00 41.53 N ATOM 1611 CA ARG A 103 1.166 -8.433 7.273 1.00 63.14 C ATOM 1612 C ARG A 103 1.518 -7.193 6.432 1.00 41.13 C ATOM 1613 O ARG A 103 2.296 -7.279 5.482 1.00 71.12 O ATOM 1614 CB ARG A 103 2.251 -8.647 8.374 1.00 65.41 C ATOM 1615 CG ARG A 103 1.811 -9.536 9.555 1.00 52.21 C ATOM 1616 CD ARG A 103 2.897 -9.680 10.634 1.00 51.04 C ATOM 1617 NE ARG A 103 2.364 -10.288 11.866 1.00 64.01 N ATOM 1618 CZ ARG A 103 3.010 -10.360 13.045 1.00 73.40 C ATOM 1619 NH1 ARG A 103 4.239 -9.880 13.180 1.00 43.11 N ATOM 1620 NH2 ARG A 103 2.401 -10.891 14.091 1.00 12.44 N ATOM 0 H ARG A 103 1.804 -9.738 5.752 1.00 41.53 H new ATOM 0 HA ARG A 103 0.202 -8.269 7.755 1.00 63.14 H new ATOM 0 HB2 ARG A 103 3.133 -9.091 7.913 1.00 65.41 H new ATOM 0 HB3 ARG A 103 2.550 -7.674 8.763 1.00 65.41 H new ATOM 0 HG2 ARG A 103 0.912 -9.114 10.005 1.00 52.21 H new ATOM 0 HG3 ARG A 103 1.546 -10.524 9.180 1.00 52.21 H new ATOM 0 HD2 ARG A 103 3.713 -10.292 10.250 1.00 51.04 H new ATOM 0 HD3 ARG A 103 3.315 -8.700 10.863 1.00 51.04 H new ATOM 0 HE ARG A 103 1.427 -10.688 11.822 1.00 64.01 H new ATOM 0 HH11 ARG A 103 4.708 -9.449 12.384 1.00 43.11 H new ATOM 0 HH12 ARG A 103 4.715 -9.942 14.080 1.00 43.11 H new ATOM 0 HH21 ARG A 103 1.448 -11.243 14.002 1.00 12.44 H new ATOM 0 HH22 ARG A 103 2.884 -10.949 14.987 1.00 12.44 H new ATOM 1634 N VAL A 104 0.924 -6.057 6.818 1.00 30.05 N ATOM 1635 CA VAL A 104 1.240 -4.720 6.289 1.00 13.11 C ATOM 1636 C VAL A 104 1.074 -3.693 7.425 1.00 63.32 C ATOM 1637 O VAL A 104 0.105 -3.753 8.194 1.00 43.51 O ATOM 1638 CB VAL A 104 0.339 -4.333 5.053 1.00 24.12 C ATOM 1639 CG1 VAL A 104 -1.166 -4.522 5.353 1.00 61.51 C ATOM 1640 CG2 VAL A 104 0.642 -2.887 4.563 1.00 61.44 C ATOM 0 H VAL A 104 0.190 -6.040 7.526 1.00 30.05 H new ATOM 0 HA VAL A 104 2.269 -4.724 5.928 1.00 13.11 H new ATOM 0 HB VAL A 104 0.592 -5.018 4.244 1.00 24.12 H new ATOM 0 HG11 VAL A 104 -1.750 -4.244 4.475 1.00 61.51 H new ATOM 0 HG12 VAL A 104 -1.359 -5.566 5.602 1.00 61.51 H new ATOM 0 HG13 VAL A 104 -1.452 -3.890 6.194 1.00 61.51 H new ATOM 0 HG21 VAL A 104 0.005 -2.651 3.711 1.00 61.44 H new ATOM 0 HG22 VAL A 104 0.445 -2.181 5.370 1.00 61.44 H new ATOM 0 HG23 VAL A 104 1.688 -2.815 4.265 1.00 61.44 H new ATOM 1650 N THR A 105 2.044 -2.783 7.558 1.00 12.24 N ATOM 1651 CA THR A 105 1.994 -1.688 8.536 1.00 44.24 C ATOM 1652 C THR A 105 2.353 -0.371 7.834 1.00 62.21 C ATOM 1653 O THR A 105 3.512 -0.155 7.485 1.00 1.05 O ATOM 1654 CB THR A 105 2.972 -1.978 9.725 1.00 71.41 C ATOM 1655 OG1 THR A 105 2.661 -3.259 10.302 1.00 43.42 O ATOM 1656 CG2 THR A 105 2.902 -0.898 10.819 1.00 10.14 C ATOM 0 H THR A 105 2.890 -2.784 6.989 1.00 12.24 H new ATOM 0 HA THR A 105 0.988 -1.606 8.947 1.00 44.24 H new ATOM 0 HB THR A 105 3.985 -1.974 9.322 1.00 71.41 H new ATOM 0 HG1 THR A 105 3.274 -3.441 11.045 1.00 43.42 H new ATOM 0 HG21 THR A 105 3.599 -1.146 11.620 1.00 10.14 H new ATOM 0 HG22 THR A 105 3.168 0.069 10.393 1.00 10.14 H new ATOM 0 HG23 THR A 105 1.890 -0.851 11.220 1.00 10.14 H new ATOM 1664 N VAL A 106 1.351 0.492 7.601 1.00 1.11 N ATOM 1665 CA VAL A 106 1.545 1.773 6.906 1.00 41.34 C ATOM 1666 C VAL A 106 1.877 2.878 7.930 1.00 14.21 C ATOM 1667 O VAL A 106 1.071 3.158 8.826 1.00 23.33 O ATOM 1668 CB VAL A 106 0.278 2.179 6.069 1.00 2.11 C ATOM 1669 CG1 VAL A 106 0.552 3.456 5.237 1.00 21.25 C ATOM 1670 CG2 VAL A 106 -0.197 1.007 5.168 1.00 71.32 C ATOM 0 H VAL A 106 0.387 0.321 7.888 1.00 1.11 H new ATOM 0 HA VAL A 106 2.376 1.654 6.211 1.00 41.34 H new ATOM 0 HB VAL A 106 -0.529 2.404 6.766 1.00 2.11 H new ATOM 0 HG11 VAL A 106 -0.339 3.717 4.667 1.00 21.25 H new ATOM 0 HG12 VAL A 106 0.808 4.278 5.906 1.00 21.25 H new ATOM 0 HG13 VAL A 106 1.380 3.273 4.552 1.00 21.25 H new ATOM 0 HG21 VAL A 106 -1.075 1.317 4.601 1.00 71.32 H new ATOM 0 HG22 VAL A 106 0.601 0.731 4.479 1.00 71.32 H new ATOM 0 HG23 VAL A 106 -0.452 0.149 5.791 1.00 71.32 H new ATOM 1680 N THR A 107 3.065 3.485 7.792 1.00 11.44 N ATOM 1681 CA THR A 107 3.528 4.571 8.668 1.00 21.10 C ATOM 1682 C THR A 107 3.635 5.890 7.877 1.00 10.23 C ATOM 1683 O THR A 107 4.533 6.055 7.044 1.00 11.42 O ATOM 1684 CB THR A 107 4.910 4.211 9.316 1.00 31.14 C ATOM 1685 OG1 THR A 107 4.776 3.006 10.095 1.00 1.10 O ATOM 1686 CG2 THR A 107 5.454 5.343 10.215 1.00 73.23 C ATOM 0 H THR A 107 3.735 3.235 7.065 1.00 11.44 H new ATOM 0 HA THR A 107 2.798 4.700 9.467 1.00 21.10 H new ATOM 0 HB THR A 107 5.622 4.066 8.504 1.00 31.14 H new ATOM 0 HG1 THR A 107 5.640 2.780 10.499 1.00 1.10 H new ATOM 0 HG21 THR A 107 6.412 5.042 10.639 1.00 73.23 H new ATOM 0 HG22 THR A 107 5.587 6.247 9.621 1.00 73.23 H new ATOM 0 HG23 THR A 107 4.747 5.539 11.021 1.00 73.23 H new ATOM 1694 N GLN A 108 2.691 6.803 8.135 1.00 32.50 N ATOM 1695 CA GLN A 108 2.722 8.174 7.610 1.00 42.31 C ATOM 1696 C GLN A 108 3.723 8.993 8.448 1.00 3.25 C ATOM 1697 O GLN A 108 3.434 9.340 9.596 1.00 31.10 O ATOM 1698 CB GLN A 108 1.306 8.806 7.682 1.00 50.11 C ATOM 1699 CG GLN A 108 1.211 10.253 7.137 1.00 33.12 C ATOM 1700 CD GLN A 108 -0.149 10.906 7.377 1.00 42.02 C ATOM 1701 OE1 GLN A 108 -0.818 10.628 8.371 1.00 21.32 O ATOM 1702 NE2 GLN A 108 -0.585 11.753 6.462 1.00 62.30 N ATOM 0 H GLN A 108 1.877 6.610 8.719 1.00 32.50 H new ATOM 0 HA GLN A 108 3.035 8.169 6.566 1.00 42.31 H new ATOM 0 HB2 GLN A 108 0.614 8.176 7.123 1.00 50.11 H new ATOM 0 HB3 GLN A 108 0.974 8.801 8.720 1.00 50.11 H new ATOM 0 HG2 GLN A 108 1.985 10.861 7.606 1.00 33.12 H new ATOM 0 HG3 GLN A 108 1.417 10.244 6.067 1.00 33.12 H new ATOM 0 HE21 GLN A 108 -0.009 11.965 5.648 1.00 62.30 H new ATOM 0 HE22 GLN A 108 -1.498 12.195 6.570 1.00 62.30 H new ATOM 1711 N ASN A 109 4.908 9.241 7.882 1.00 11.14 N ATOM 1712 CA ASN A 109 5.988 9.988 8.549 1.00 64.30 C ATOM 1713 C ASN A 109 5.776 11.491 8.343 1.00 42.35 C ATOM 1714 O ASN A 109 6.329 12.104 7.417 1.00 43.51 O ATOM 1715 CB ASN A 109 7.378 9.526 8.028 1.00 53.54 C ATOM 1716 CG ASN A 109 7.707 8.083 8.423 1.00 22.11 C ATOM 1717 OD1 ASN A 109 8.326 7.840 9.454 1.00 11.22 O ATOM 1718 ND2 ASN A 109 7.277 7.115 7.625 1.00 23.41 N ATOM 0 H ASN A 109 5.150 8.929 6.942 1.00 11.14 H new ATOM 0 HA ASN A 109 5.962 9.783 9.619 1.00 64.30 H new ATOM 0 HB2 ASN A 109 7.403 9.616 6.942 1.00 53.54 H new ATOM 0 HB3 ASN A 109 8.148 10.190 8.420 1.00 53.54 H new ATOM 0 HD21 ASN A 109 7.459 6.140 7.863 1.00 23.41 H new ATOM 0 HD22 ASN A 109 6.765 7.346 6.774 1.00 23.41 H new