USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=20 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 -36:sc= 0.0815 USER MOD Set 1.2: A 108 GLN : amide:sc= -1.39! K(o=-1.3!,f=-0.3) USER MOD Set 2.1: A 80 THR OG1 : rot 180:sc= 0.375 USER MOD Set 2.2: A 85 THR OG1 : rot -69:sc= 0.404 USER MOD Set 3.1: A 69 ASN : amide:sc= 0.205 K(o=0.44,f=-2.9!) USER MOD Set 3.2: A 70 THR OG1 : rot 57:sc= 0.236 USER MOD Set 4.1: A 21 ASN : amide:sc= -1.68! K(o=-1.7!,f=0.12) USER MOD Set 4.2: A 23 THR OG1 : rot 180:sc= 0.0123 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.0755 X(o=-0.076,f=-0.1) USER MOD Single : A 17 GLN : amide:sc= -1.79 K(o=-1.8,f=-0.25) USER MOD Single : A 20 LYS NZ :NH3+ -176:sc= 0.193 (180deg=0.158) USER MOD Single : A 28 GLN : amide:sc= 0.0278 K(o=0.028,f=-1.4) USER MOD Single : A 32 ASN : amide:sc= -1.02 K(o=-1,f=-0.14) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -170:sc= -1.14 USER MOD Single : A 42 GLN : amide:sc= -0.508 K(o=-0.51,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.372 X(o=-0.37,f=-0.51) USER MOD Single : A 51 GLN : amide:sc= -0.542 K(o=-0.54,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -159:sc= -0.953 (180deg=-1.93!) USER MOD Single : A 53 GLN : amide:sc= -0.496 X(o=-0.5,f=0) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ -142:sc= 1.24 (180deg=-0.0679) 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 72 ASN : amide:sc= 0.386 K(o=0.39,f=-3!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -170:sc=-0.00588 USER MOD Single : A 84 THR OG1 : rot 25:sc= 0.115 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0.13 K(o=0.13,f=-2.6!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 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= 0.225 K(o=0.23,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 37 N ASP A 3 7.816 -14.341 -5.413 1.00 3.34 N ATOM 38 CA ASP A 3 8.698 -13.161 -5.383 1.00 23.11 C ATOM 39 C ASP A 3 8.122 -12.093 -4.438 1.00 10.42 C ATOM 40 O ASP A 3 7.169 -11.397 -4.789 1.00 63.40 O ATOM 41 CB ASP A 3 8.864 -12.593 -6.814 1.00 72.15 C ATOM 42 CG ASP A 3 9.902 -11.454 -6.890 1.00 74.14 C ATOM 43 OD1 ASP A 3 11.117 -11.753 -6.901 1.00 51.45 O ATOM 44 OD2 ASP A 3 9.518 -10.271 -6.928 1.00 42.31 O ATOM 0 HA ASP A 3 9.679 -13.456 -5.009 1.00 23.11 H new ATOM 0 HB2 ASP A 3 9.164 -13.397 -7.486 1.00 72.15 H new ATOM 0 HB3 ASP A 3 7.901 -12.225 -7.167 1.00 72.15 H new ATOM 49 N ILE A 4 8.724 -11.980 -3.247 1.00 60.43 N ATOM 50 CA ILE A 4 8.243 -11.100 -2.162 1.00 71.11 C ATOM 51 C ILE A 4 8.544 -9.610 -2.445 1.00 53.21 C ATOM 52 O ILE A 4 7.764 -8.734 -2.050 1.00 31.54 O ATOM 53 CB ILE A 4 8.864 -11.535 -0.773 1.00 25.25 C ATOM 54 CG1 ILE A 4 8.409 -12.988 -0.402 1.00 11.04 C ATOM 55 CG2 ILE A 4 8.526 -10.539 0.367 1.00 52.31 C ATOM 56 CD1 ILE A 4 6.893 -13.197 -0.301 1.00 52.15 C ATOM 0 H ILE A 4 9.567 -12.500 -3.002 1.00 60.43 H new ATOM 0 HA ILE A 4 7.160 -11.211 -2.115 1.00 71.11 H new ATOM 0 HB ILE A 4 9.948 -11.523 -0.886 1.00 25.25 H new ATOM 0 HG12 ILE A 4 8.805 -13.676 -1.149 1.00 11.04 H new ATOM 0 HG13 ILE A 4 8.860 -13.259 0.552 1.00 11.04 H new ATOM 0 HG21 ILE A 4 8.976 -10.885 1.298 1.00 52.31 H new ATOM 0 HG22 ILE A 4 8.920 -9.554 0.118 1.00 52.31 H new ATOM 0 HG23 ILE A 4 7.444 -10.478 0.488 1.00 52.31 H new ATOM 0 HD11 ILE A 4 6.685 -14.235 -0.040 1.00 52.15 H new ATOM 0 HD12 ILE A 4 6.486 -12.541 0.468 1.00 52.15 H new ATOM 0 HD13 ILE A 4 6.429 -12.964 -1.259 1.00 52.15 H new ATOM 68 N VAL A 5 9.660 -9.342 -3.151 1.00 15.31 N ATOM 69 CA VAL A 5 10.128 -7.972 -3.444 1.00 1.10 C ATOM 70 C VAL A 5 9.063 -7.189 -4.246 1.00 73.45 C ATOM 71 O VAL A 5 8.540 -6.172 -3.775 1.00 53.33 O ATOM 72 CB VAL A 5 11.501 -7.989 -4.220 1.00 55.13 C ATOM 73 CG1 VAL A 5 12.006 -6.561 -4.521 1.00 5.14 C ATOM 74 CG2 VAL A 5 12.571 -8.779 -3.436 1.00 72.12 C ATOM 0 H VAL A 5 10.263 -10.070 -3.535 1.00 15.31 H new ATOM 0 HA VAL A 5 10.286 -7.466 -2.492 1.00 1.10 H new ATOM 0 HB VAL A 5 11.324 -8.490 -5.172 1.00 55.13 H new ATOM 0 HG11 VAL A 5 12.954 -6.616 -5.056 1.00 5.14 H new ATOM 0 HG12 VAL A 5 11.273 -6.037 -5.134 1.00 5.14 H new ATOM 0 HG13 VAL A 5 12.148 -6.021 -3.585 1.00 5.14 H new ATOM 0 HG21 VAL A 5 13.508 -8.775 -3.994 1.00 72.12 H new ATOM 0 HG22 VAL A 5 12.726 -8.314 -2.463 1.00 72.12 H new ATOM 0 HG23 VAL A 5 12.236 -9.807 -3.298 1.00 72.12 H new ATOM 84 N GLU A 6 8.701 -7.717 -5.431 1.00 73.02 N ATOM 85 CA GLU A 6 7.722 -7.064 -6.322 1.00 42.41 C ATOM 86 C GLU A 6 6.279 -7.325 -5.847 1.00 33.04 C ATOM 87 O GLU A 6 5.369 -6.581 -6.218 1.00 11.42 O ATOM 88 CB GLU A 6 7.925 -7.501 -7.797 1.00 10.30 C ATOM 89 CG GLU A 6 7.200 -6.611 -8.828 1.00 13.53 C ATOM 90 CD GLU A 6 7.434 -7.057 -10.274 1.00 41.00 C ATOM 91 OE1 GLU A 6 6.802 -8.039 -10.705 1.00 44.52 O ATOM 92 OE2 GLU A 6 8.238 -6.427 -10.992 1.00 44.21 O ATOM 0 H GLU A 6 9.072 -8.595 -5.794 1.00 73.02 H new ATOM 0 HA GLU A 6 7.893 -5.989 -6.275 1.00 42.41 H new ATOM 0 HB2 GLU A 6 8.992 -7.500 -8.020 1.00 10.30 H new ATOM 0 HB3 GLU A 6 7.576 -8.527 -7.911 1.00 10.30 H new ATOM 0 HG2 GLU A 6 6.130 -6.621 -8.619 1.00 13.53 H new ATOM 0 HG3 GLU A 6 7.538 -5.581 -8.712 1.00 13.53 H new ATOM 99 N ALA A 7 6.071 -8.367 -5.006 1.00 64.13 N ATOM 100 CA ALA A 7 4.775 -8.580 -4.322 1.00 44.12 C ATOM 101 C ALA A 7 4.463 -7.366 -3.440 1.00 13.14 C ATOM 102 O ALA A 7 3.395 -6.780 -3.532 1.00 75.12 O ATOM 103 CB ALA A 7 4.783 -9.870 -3.490 1.00 43.34 C ATOM 0 H ALA A 7 6.779 -9.068 -4.787 1.00 64.13 H new ATOM 0 HA ALA A 7 3.996 -8.690 -5.076 1.00 44.12 H new ATOM 0 HB1 ALA A 7 3.816 -9.994 -3.002 1.00 43.34 H new ATOM 0 HB2 ALA A 7 4.973 -10.722 -4.142 1.00 43.34 H new ATOM 0 HB3 ALA A 7 5.566 -9.810 -2.734 1.00 43.34 H new ATOM 109 N ALA A 8 5.467 -6.962 -2.657 1.00 22.35 N ATOM 110 CA ALA A 8 5.374 -5.831 -1.728 1.00 63.00 C ATOM 111 C ALA A 8 5.280 -4.484 -2.465 1.00 43.41 C ATOM 112 O ALA A 8 4.547 -3.589 -2.038 1.00 71.21 O ATOM 113 CB ALA A 8 6.594 -5.843 -0.816 1.00 71.52 C ATOM 0 H ALA A 8 6.380 -7.417 -2.650 1.00 22.35 H new ATOM 0 HA ALA A 8 4.460 -5.941 -1.144 1.00 63.00 H new ATOM 0 HB1 ALA A 8 6.536 -5.006 -0.120 1.00 71.52 H new ATOM 0 HB2 ALA A 8 6.621 -6.778 -0.257 1.00 71.52 H new ATOM 0 HB3 ALA A 8 7.499 -5.753 -1.417 1.00 71.52 H new ATOM 119 N LYS A 9 6.048 -4.361 -3.561 1.00 1.44 N ATOM 120 CA LYS A 9 6.104 -3.142 -4.387 1.00 52.34 C ATOM 121 C LYS A 9 4.727 -2.841 -5.015 1.00 55.03 C ATOM 122 O LYS A 9 4.187 -1.742 -4.849 1.00 42.40 O ATOM 123 CB LYS A 9 7.181 -3.313 -5.490 1.00 3.01 C ATOM 124 CG LYS A 9 7.372 -2.078 -6.400 1.00 24.42 C ATOM 125 CD LYS A 9 8.375 -2.329 -7.552 1.00 63.20 C ATOM 126 CE LYS A 9 8.593 -1.087 -8.433 1.00 15.44 C ATOM 127 NZ LYS A 9 9.486 -1.372 -9.595 1.00 34.43 N ATOM 0 H LYS A 9 6.652 -5.110 -3.901 1.00 1.44 H new ATOM 0 HA LYS A 9 6.373 -2.297 -3.753 1.00 52.34 H new ATOM 0 HB2 LYS A 9 8.134 -3.549 -5.016 1.00 3.01 H new ATOM 0 HB3 LYS A 9 6.914 -4.168 -6.111 1.00 3.01 H new ATOM 0 HG2 LYS A 9 6.408 -1.790 -6.820 1.00 24.42 H new ATOM 0 HG3 LYS A 9 7.721 -1.239 -5.797 1.00 24.42 H new ATOM 0 HD2 LYS A 9 9.331 -2.644 -7.133 1.00 63.20 H new ATOM 0 HD3 LYS A 9 8.012 -3.149 -8.171 1.00 63.20 H new ATOM 0 HE2 LYS A 9 7.630 -0.727 -8.796 1.00 15.44 H new ATOM 0 HE3 LYS A 9 9.026 -0.288 -7.831 1.00 15.44 H new ATOM 0 HZ1 LYS A 9 9.605 -0.508 -10.161 1.00 34.43 H new ATOM 0 HZ2 LYS A 9 10.414 -1.691 -9.250 1.00 34.43 H new ATOM 0 HZ3 LYS A 9 9.062 -2.116 -10.185 1.00 34.43 H new ATOM 141 N GLN A 10 4.170 -3.854 -5.704 1.00 72.51 N ATOM 142 CA GLN A 10 2.852 -3.764 -6.360 1.00 0.13 C ATOM 143 C GLN A 10 1.726 -3.644 -5.322 1.00 63.12 C ATOM 144 O GLN A 10 0.696 -3.017 -5.591 1.00 53.41 O ATOM 145 CB GLN A 10 2.612 -4.996 -7.272 1.00 23.43 C ATOM 146 CG GLN A 10 3.593 -5.123 -8.454 1.00 42.51 C ATOM 147 CD GLN A 10 3.546 -3.924 -9.400 1.00 50.22 C ATOM 148 OE1 GLN A 10 4.280 -2.946 -9.229 1.00 71.13 O ATOM 149 NE2 GLN A 10 2.682 -3.988 -10.402 1.00 72.10 N ATOM 0 H GLN A 10 4.622 -4.761 -5.822 1.00 72.51 H new ATOM 0 HA GLN A 10 2.845 -2.865 -6.976 1.00 0.13 H new ATOM 0 HB2 GLN A 10 2.677 -5.899 -6.665 1.00 23.43 H new ATOM 0 HB3 GLN A 10 1.596 -4.948 -7.664 1.00 23.43 H new ATOM 0 HG2 GLN A 10 4.606 -5.235 -8.068 1.00 42.51 H new ATOM 0 HG3 GLN A 10 3.364 -6.030 -9.014 1.00 42.51 H new ATOM 0 HE21 GLN A 10 2.091 -4.812 -10.514 1.00 72.10 H new ATOM 0 HE22 GLN A 10 2.608 -3.214 -11.062 1.00 72.10 H new ATOM 158 N ALA A 11 1.948 -4.248 -4.139 1.00 22.12 N ATOM 159 CA ALA A 11 1.015 -4.170 -3.011 1.00 74.35 C ATOM 160 C ALA A 11 0.849 -2.727 -2.548 1.00 51.45 C ATOM 161 O ALA A 11 -0.273 -2.232 -2.460 1.00 15.32 O ATOM 162 CB ALA A 11 1.491 -5.050 -1.854 1.00 72.24 C ATOM 0 H ALA A 11 2.781 -4.803 -3.944 1.00 22.12 H new ATOM 0 HA ALA A 11 0.045 -4.538 -3.347 1.00 74.35 H new ATOM 0 HB1 ALA A 11 0.784 -4.978 -1.027 1.00 72.24 H new ATOM 0 HB2 ALA A 11 1.555 -6.086 -2.187 1.00 72.24 H new ATOM 0 HB3 ALA A 11 2.474 -4.714 -1.522 1.00 72.24 H new ATOM 168 N ALA A 12 1.990 -2.056 -2.306 1.00 3.02 N ATOM 169 CA ALA A 12 2.024 -0.663 -1.847 1.00 24.32 C ATOM 170 C ALA A 12 1.273 0.257 -2.827 1.00 61.03 C ATOM 171 O ALA A 12 0.325 0.936 -2.436 1.00 12.35 O ATOM 172 CB ALA A 12 3.472 -0.196 -1.664 1.00 23.21 C ATOM 0 H ALA A 12 2.915 -2.470 -2.425 1.00 3.02 H new ATOM 0 HA ALA A 12 1.520 -0.608 -0.882 1.00 24.32 H new ATOM 0 HB1 ALA A 12 3.480 0.839 -1.323 1.00 23.21 H new ATOM 0 HB2 ALA A 12 3.967 -0.825 -0.924 1.00 23.21 H new ATOM 0 HB3 ALA A 12 4.001 -0.269 -2.614 1.00 23.21 H new ATOM 178 N ILE A 13 1.665 0.179 -4.116 1.00 71.14 N ATOM 179 CA ILE A 13 1.094 0.995 -5.205 1.00 72.43 C ATOM 180 C ILE A 13 -0.442 0.784 -5.312 1.00 0.01 C ATOM 181 O ILE A 13 -1.193 1.751 -5.433 1.00 3.31 O ATOM 182 CB ILE A 13 1.799 0.665 -6.583 1.00 3.01 C ATOM 183 CG1 ILE A 13 3.339 0.955 -6.498 1.00 15.53 C ATOM 184 CG2 ILE A 13 1.153 1.439 -7.759 1.00 71.15 C ATOM 185 CD1 ILE A 13 4.147 0.578 -7.736 1.00 14.30 C ATOM 0 H ILE A 13 2.395 -0.460 -4.432 1.00 71.14 H new ATOM 0 HA ILE A 13 1.276 2.044 -4.969 1.00 72.43 H new ATOM 0 HB ILE A 13 1.658 -0.398 -6.780 1.00 3.01 H new ATOM 0 HG12 ILE A 13 3.481 2.018 -6.303 1.00 15.53 H new ATOM 0 HG13 ILE A 13 3.746 0.417 -5.642 1.00 15.53 H new ATOM 0 HG21 ILE A 13 1.665 1.185 -8.687 1.00 71.15 H new ATOM 0 HG22 ILE A 13 0.101 1.167 -7.839 1.00 71.15 H new ATOM 0 HG23 ILE A 13 1.238 2.511 -7.579 1.00 71.15 H new ATOM 0 HD11 ILE A 13 5.197 0.819 -7.572 1.00 14.30 H new ATOM 0 HD12 ILE A 13 4.045 -0.491 -7.925 1.00 14.30 H new ATOM 0 HD13 ILE A 13 3.776 1.136 -8.596 1.00 14.30 H new ATOM 197 N ALA A 14 -0.886 -0.487 -5.208 1.00 2.02 N ATOM 198 CA ALA A 14 -2.316 -0.862 -5.333 1.00 15.13 C ATOM 199 C ALA A 14 -3.154 -0.367 -4.141 1.00 74.20 C ATOM 200 O ALA A 14 -4.329 -0.020 -4.310 1.00 75.12 O ATOM 201 CB ALA A 14 -2.461 -2.370 -5.488 1.00 61.54 C ATOM 0 H ALA A 14 -0.269 -1.281 -5.036 1.00 2.02 H new ATOM 0 HA ALA A 14 -2.699 -0.371 -6.227 1.00 15.13 H new ATOM 0 HB1 ALA A 14 -3.516 -2.627 -5.578 1.00 61.54 H new ATOM 0 HB2 ALA A 14 -1.930 -2.697 -6.382 1.00 61.54 H new ATOM 0 HB3 ALA A 14 -2.040 -2.868 -4.614 1.00 61.54 H new ATOM 207 N ILE A 15 -2.525 -0.340 -2.949 1.00 62.23 N ATOM 208 CA ILE A 15 -3.124 0.208 -1.715 1.00 14.11 C ATOM 209 C ILE A 15 -3.442 1.707 -1.906 1.00 20.31 C ATOM 210 O ILE A 15 -4.511 2.165 -1.517 1.00 50.13 O ATOM 211 CB ILE A 15 -2.167 -0.037 -0.466 1.00 11.02 C ATOM 212 CG1 ILE A 15 -2.177 -1.554 -0.067 1.00 53.30 C ATOM 213 CG2 ILE A 15 -2.519 0.862 0.746 1.00 31.41 C ATOM 214 CD1 ILE A 15 -1.220 -1.950 1.052 1.00 64.11 C ATOM 0 H ILE A 15 -1.580 -0.700 -2.814 1.00 62.23 H new ATOM 0 HA ILE A 15 -4.059 -0.313 -1.511 1.00 14.11 H new ATOM 0 HB ILE A 15 -1.159 0.245 -0.771 1.00 11.02 H new ATOM 0 HG12 ILE A 15 -3.189 -1.825 0.233 1.00 53.30 H new ATOM 0 HG13 ILE A 15 -1.937 -2.145 -0.951 1.00 53.30 H new ATOM 0 HG21 ILE A 15 -1.834 0.651 1.567 1.00 31.41 H new ATOM 0 HG22 ILE A 15 -2.430 1.910 0.460 1.00 31.41 H new ATOM 0 HG23 ILE A 15 -3.541 0.658 1.065 1.00 31.41 H new ATOM 0 HD11 ILE A 15 -1.309 -3.019 1.246 1.00 64.11 H new ATOM 0 HD12 ILE A 15 -0.197 -1.720 0.754 1.00 64.11 H new ATOM 0 HD13 ILE A 15 -1.468 -1.395 1.957 1.00 64.11 H new ATOM 226 N PHE A 16 -2.522 2.442 -2.565 1.00 73.34 N ATOM 227 CA PHE A 16 -2.694 3.889 -2.838 1.00 31.22 C ATOM 228 C PHE A 16 -3.620 4.145 -4.043 1.00 1.52 C ATOM 229 O PHE A 16 -4.235 5.213 -4.132 1.00 25.11 O ATOM 230 CB PHE A 16 -1.327 4.579 -3.041 1.00 40.42 C ATOM 231 CG PHE A 16 -0.443 4.507 -1.802 1.00 72.03 C ATOM 232 CD1 PHE A 16 -0.809 5.164 -0.626 1.00 21.20 C ATOM 233 CD2 PHE A 16 0.731 3.776 -1.802 1.00 33.11 C ATOM 234 CE1 PHE A 16 -0.015 5.088 0.503 1.00 20.04 C ATOM 235 CE2 PHE A 16 1.517 3.697 -0.680 1.00 1.34 C ATOM 236 CZ PHE A 16 1.145 4.351 0.477 1.00 74.23 C ATOM 0 H PHE A 16 -1.647 2.057 -2.921 1.00 73.34 H new ATOM 0 HA PHE A 16 -3.175 4.325 -1.962 1.00 31.22 H new ATOM 0 HB2 PHE A 16 -0.810 4.112 -3.879 1.00 40.42 H new ATOM 0 HB3 PHE A 16 -1.488 5.624 -3.308 1.00 40.42 H new ATOM 0 HD1 PHE A 16 -1.723 5.738 -0.598 1.00 21.20 H new ATOM 0 HD2 PHE A 16 1.034 3.259 -2.700 1.00 33.11 H new ATOM 0 HE1 PHE A 16 -0.306 5.607 1.404 1.00 20.04 H new ATOM 0 HE2 PHE A 16 2.430 3.121 -0.702 1.00 1.34 H new ATOM 0 HZ PHE A 16 1.764 4.284 1.360 1.00 74.23 H new ATOM 246 N GLN A 17 -3.701 3.163 -4.966 1.00 12.25 N ATOM 247 CA GLN A 17 -4.652 3.197 -6.106 1.00 42.12 C ATOM 248 C GLN A 17 -6.093 3.064 -5.588 1.00 23.01 C ATOM 249 O GLN A 17 -7.017 3.667 -6.141 1.00 63.11 O ATOM 250 CB GLN A 17 -4.338 2.083 -7.148 1.00 61.15 C ATOM 251 CG GLN A 17 -3.064 2.321 -7.977 1.00 73.24 C ATOM 252 CD GLN A 17 -2.779 1.188 -8.971 1.00 4.52 C ATOM 253 OE1 GLN A 17 -3.259 1.203 -10.103 1.00 63.32 O ATOM 254 NE2 GLN A 17 -1.991 0.202 -8.563 1.00 3.11 N ATOM 0 H GLN A 17 -3.115 2.328 -4.946 1.00 12.25 H new ATOM 0 HA GLN A 17 -4.541 4.156 -6.612 1.00 42.12 H new ATOM 0 HB2 GLN A 17 -4.243 1.131 -6.625 1.00 61.15 H new ATOM 0 HB3 GLN A 17 -5.185 1.990 -7.827 1.00 61.15 H new ATOM 0 HG2 GLN A 17 -3.161 3.260 -8.522 1.00 73.24 H new ATOM 0 HG3 GLN A 17 -2.214 2.430 -7.304 1.00 73.24 H new ATOM 0 HE21 GLN A 17 -1.606 0.214 -7.619 1.00 3.11 H new ATOM 0 HE22 GLN A 17 -1.770 -0.568 -9.194 1.00 3.11 H new ATOM 263 N LEU A 18 -6.263 2.272 -4.510 1.00 62.30 N ATOM 264 CA LEU A 18 -7.541 2.173 -3.789 1.00 50.03 C ATOM 265 C LEU A 18 -7.771 3.433 -2.944 1.00 70.15 C ATOM 266 O LEU A 18 -8.846 4.011 -2.979 1.00 44.35 O ATOM 267 CB LEU A 18 -7.595 0.904 -2.895 1.00 1.11 C ATOM 268 CG LEU A 18 -7.607 -0.460 -3.647 1.00 33.31 C ATOM 269 CD1 LEU A 18 -7.656 -1.632 -2.649 1.00 51.23 C ATOM 270 CD2 LEU A 18 -8.772 -0.545 -4.666 1.00 20.12 C ATOM 0 H LEU A 18 -5.523 1.689 -4.120 1.00 62.30 H new ATOM 0 HA LEU A 18 -8.337 2.090 -4.529 1.00 50.03 H new ATOM 0 HB2 LEU A 18 -6.736 0.919 -2.224 1.00 1.11 H new ATOM 0 HB3 LEU A 18 -8.487 0.961 -2.271 1.00 1.11 H new ATOM 0 HG LEU A 18 -6.679 -0.532 -4.214 1.00 33.31 H new ATOM 0 HD11 LEU A 18 -7.664 -2.575 -3.195 1.00 51.23 H new ATOM 0 HD12 LEU A 18 -6.780 -1.595 -2.001 1.00 51.23 H new ATOM 0 HD13 LEU A 18 -8.559 -1.556 -2.043 1.00 51.23 H new ATOM 0 HD21 LEU A 18 -8.745 -1.511 -5.169 1.00 20.12 H new ATOM 0 HD22 LEU A 18 -9.722 -0.435 -4.143 1.00 20.12 H new ATOM 0 HD23 LEU A 18 -8.669 0.251 -5.403 1.00 20.12 H new ATOM 282 N TRP A 19 -6.735 3.875 -2.208 1.00 14.30 N ATOM 283 CA TRP A 19 -6.826 5.055 -1.308 1.00 20.31 C ATOM 284 C TRP A 19 -7.165 6.369 -2.067 1.00 42.03 C ATOM 285 O TRP A 19 -7.589 7.351 -1.443 1.00 24.33 O ATOM 286 CB TRP A 19 -5.540 5.191 -0.442 1.00 42.22 C ATOM 287 CG TRP A 19 -5.435 4.250 0.744 1.00 2.14 C ATOM 288 CD1 TRP A 19 -6.287 3.245 1.097 1.00 53.25 C ATOM 289 CD2 TRP A 19 -4.404 4.260 1.747 1.00 12.20 C ATOM 290 NE1 TRP A 19 -5.843 2.626 2.241 1.00 40.44 N ATOM 291 CE2 TRP A 19 -4.691 3.228 2.654 1.00 62.34 C ATOM 292 CE3 TRP A 19 -3.264 5.041 1.959 1.00 62.53 C ATOM 293 CZ2 TRP A 19 -3.880 2.952 3.752 1.00 4.32 C ATOM 294 CZ3 TRP A 19 -2.461 4.769 3.050 1.00 0.52 C ATOM 295 CH2 TRP A 19 -2.771 3.732 3.936 1.00 1.42 C ATOM 0 H TRP A 19 -5.816 3.433 -2.215 1.00 14.30 H new ATOM 0 HA TRP A 19 -7.665 4.881 -0.635 1.00 20.31 H new ATOM 0 HB2 TRP A 19 -4.674 5.032 -1.085 1.00 42.22 H new ATOM 0 HB3 TRP A 19 -5.480 6.215 -0.074 1.00 42.22 H new ATOM 0 HD1 TRP A 19 -7.182 2.975 0.556 1.00 53.25 H new ATOM 0 HE1 TRP A 19 -6.301 1.842 2.706 1.00 40.44 H new ATOM 0 HE3 TRP A 19 -3.015 5.844 1.281 1.00 62.53 H new ATOM 0 HZ2 TRP A 19 -4.118 2.150 4.435 1.00 4.32 H new ATOM 0 HZ3 TRP A 19 -1.579 5.368 3.222 1.00 0.52 H new ATOM 0 HH2 TRP A 19 -2.124 3.544 4.780 1.00 1.42 H new ATOM 306 N LYS A 20 -6.968 6.381 -3.404 1.00 72.23 N ATOM 307 CA LYS A 20 -7.420 7.493 -4.275 1.00 41.42 C ATOM 308 C LYS A 20 -8.721 7.123 -5.049 1.00 1.52 C ATOM 309 O LYS A 20 -9.463 8.014 -5.471 1.00 42.05 O ATOM 310 CB LYS A 20 -6.298 7.908 -5.267 1.00 72.34 C ATOM 311 CG LYS A 20 -5.960 6.856 -6.347 1.00 70.11 C ATOM 312 CD LYS A 20 -4.919 7.355 -7.377 1.00 72.12 C ATOM 313 CE LYS A 20 -3.541 7.651 -6.771 1.00 52.51 C ATOM 314 NZ LYS A 20 -2.572 8.087 -7.822 1.00 72.33 N ATOM 0 H LYS A 20 -6.496 5.629 -3.907 1.00 72.23 H new ATOM 0 HA LYS A 20 -7.646 8.342 -3.630 1.00 41.42 H new ATOM 0 HB2 LYS A 20 -6.595 8.833 -5.762 1.00 72.34 H new ATOM 0 HB3 LYS A 20 -5.394 8.127 -4.699 1.00 72.34 H new ATOM 0 HG2 LYS A 20 -5.580 5.956 -5.863 1.00 70.11 H new ATOM 0 HG3 LYS A 20 -6.874 6.575 -6.870 1.00 70.11 H new ATOM 0 HD2 LYS A 20 -4.808 6.605 -8.160 1.00 72.12 H new ATOM 0 HD3 LYS A 20 -5.298 8.259 -7.854 1.00 72.12 H new ATOM 0 HE2 LYS A 20 -3.633 8.428 -6.013 1.00 52.51 H new ATOM 0 HE3 LYS A 20 -3.162 6.760 -6.270 1.00 52.51 H new ATOM 0 HZ1 LYS A 20 -1.632 8.215 -7.396 1.00 72.33 H new ATOM 0 HZ2 LYS A 20 -2.519 7.363 -8.567 1.00 72.33 H new ATOM 0 HZ3 LYS A 20 -2.890 8.987 -8.236 1.00 72.33 H new ATOM 328 N ASN A 21 -8.967 5.808 -5.257 1.00 73.33 N ATOM 329 CA ASN A 21 -10.153 5.297 -5.990 1.00 32.51 C ATOM 330 C ASN A 21 -10.432 3.828 -5.574 1.00 3.14 C ATOM 331 O ASN A 21 -9.911 2.890 -6.197 1.00 63.42 O ATOM 332 CB ASN A 21 -9.941 5.429 -7.529 1.00 24.11 C ATOM 333 CG ASN A 21 -11.149 4.971 -8.363 1.00 74.44 C ATOM 334 OD1 ASN A 21 -12.062 5.748 -8.655 1.00 41.12 O ATOM 335 ND2 ASN A 21 -11.163 3.709 -8.754 1.00 32.32 N ATOM 0 H ASN A 21 -8.349 5.069 -4.921 1.00 73.33 H new ATOM 0 HA ASN A 21 -11.026 5.896 -5.729 1.00 32.51 H new ATOM 0 HB2 ASN A 21 -9.720 6.469 -7.768 1.00 24.11 H new ATOM 0 HB3 ASN A 21 -9.069 4.843 -7.818 1.00 24.11 H new ATOM 0 HD21 ASN A 21 -11.941 3.356 -9.311 1.00 32.32 H new ATOM 0 HD22 ASN A 21 -10.395 3.088 -8.499 1.00 32.32 H new ATOM 342 N PRO A 22 -11.230 3.608 -4.465 1.00 34.41 N ATOM 343 CA PRO A 22 -11.498 2.247 -3.905 1.00 44.13 C ATOM 344 C PRO A 22 -12.321 1.354 -4.844 1.00 54.44 C ATOM 345 O PRO A 22 -12.334 0.125 -4.693 1.00 31.44 O ATOM 346 CB PRO A 22 -12.274 2.543 -2.590 1.00 24.33 C ATOM 347 CG PRO A 22 -12.884 3.899 -2.793 1.00 13.43 C ATOM 348 CD PRO A 22 -11.903 4.670 -3.653 1.00 23.14 C ATOM 0 HA PRO A 22 -10.575 1.688 -3.753 1.00 44.13 H new ATOM 0 HB2 PRO A 22 -13.040 1.790 -2.406 1.00 24.33 H new ATOM 0 HB3 PRO A 22 -11.607 2.536 -1.728 1.00 24.33 H new ATOM 0 HG2 PRO A 22 -13.855 3.821 -3.282 1.00 13.43 H new ATOM 0 HG3 PRO A 22 -13.046 4.401 -1.839 1.00 13.43 H new ATOM 0 HD2 PRO A 22 -12.411 5.396 -4.287 1.00 23.14 H new ATOM 0 HD3 PRO A 22 -11.187 5.223 -3.045 1.00 23.14 H new ATOM 356 N THR A 23 -12.982 1.989 -5.821 1.00 60.13 N ATOM 357 CA THR A 23 -13.896 1.324 -6.753 1.00 10.12 C ATOM 358 C THR A 23 -13.156 0.593 -7.893 1.00 62.54 C ATOM 359 O THR A 23 -13.792 -0.072 -8.708 1.00 32.40 O ATOM 360 CB THR A 23 -14.907 2.370 -7.328 1.00 4.41 C ATOM 361 OG1 THR A 23 -14.189 3.493 -7.866 1.00 60.01 O ATOM 362 CG2 THR A 23 -15.894 2.870 -6.254 1.00 53.34 C ATOM 0 H THR A 23 -12.894 2.992 -5.987 1.00 60.13 H new ATOM 0 HA THR A 23 -14.436 0.557 -6.198 1.00 10.12 H new ATOM 0 HB THR A 23 -15.481 1.874 -8.111 1.00 4.41 H new ATOM 0 HG1 THR A 23 -14.825 4.146 -8.227 1.00 60.01 H new ATOM 0 HG21 THR A 23 -16.577 3.594 -6.697 1.00 53.34 H new ATOM 0 HG22 THR A 23 -16.463 2.027 -5.862 1.00 53.34 H new ATOM 0 HG23 THR A 23 -15.340 3.343 -5.443 1.00 53.34 H new ATOM 370 N ASP A 24 -11.808 0.729 -7.945 1.00 12.51 N ATOM 371 CA ASP A 24 -10.977 0.041 -8.958 1.00 45.25 C ATOM 372 C ASP A 24 -10.926 -1.471 -8.642 1.00 13.43 C ATOM 373 O ASP A 24 -10.469 -1.846 -7.553 1.00 23.22 O ATOM 374 CB ASP A 24 -9.530 0.620 -9.010 1.00 73.44 C ATOM 375 CG ASP A 24 -8.738 0.120 -10.238 1.00 32.41 C ATOM 376 OD1 ASP A 24 -8.269 -1.026 -10.242 1.00 44.32 O ATOM 377 OD2 ASP A 24 -8.610 0.866 -11.224 1.00 32.23 O ATOM 0 H ASP A 24 -11.276 1.309 -7.297 1.00 12.51 H new ATOM 0 HA ASP A 24 -11.433 0.203 -9.935 1.00 45.25 H new ATOM 0 HB2 ASP A 24 -9.578 1.709 -9.031 1.00 73.44 H new ATOM 0 HB3 ASP A 24 -8.998 0.342 -8.100 1.00 73.44 H new ATOM 382 N PRO A 25 -11.391 -2.361 -9.583 1.00 21.23 N ATOM 383 CA PRO A 25 -11.453 -3.818 -9.329 1.00 61.01 C ATOM 384 C PRO A 25 -10.071 -4.507 -9.382 1.00 51.31 C ATOM 385 O PRO A 25 -9.841 -5.480 -8.666 1.00 22.24 O ATOM 386 CB PRO A 25 -12.385 -4.325 -10.455 1.00 3.44 C ATOM 387 CG PRO A 25 -12.178 -3.366 -11.590 1.00 63.22 C ATOM 388 CD PRO A 25 -11.913 -2.016 -10.945 1.00 33.43 C ATOM 0 HA PRO A 25 -11.812 -4.045 -8.325 1.00 61.01 H new ATOM 0 HB2 PRO A 25 -12.132 -5.344 -10.748 1.00 3.44 H new ATOM 0 HB3 PRO A 25 -13.426 -4.335 -10.131 1.00 3.44 H new ATOM 0 HG2 PRO A 25 -11.339 -3.673 -12.214 1.00 63.22 H new ATOM 0 HG3 PRO A 25 -13.056 -3.326 -12.234 1.00 63.22 H new ATOM 0 HD2 PRO A 25 -11.187 -1.437 -11.516 1.00 33.43 H new ATOM 0 HD3 PRO A 25 -12.822 -1.417 -10.884 1.00 33.43 H new ATOM 396 N GLU A 26 -9.152 -3.969 -10.206 1.00 75.22 N ATOM 397 CA GLU A 26 -7.864 -4.630 -10.528 1.00 12.10 C ATOM 398 C GLU A 26 -6.774 -4.334 -9.475 1.00 72.21 C ATOM 399 O GLU A 26 -5.862 -5.148 -9.269 1.00 54.13 O ATOM 400 CB GLU A 26 -7.389 -4.214 -11.946 1.00 34.23 C ATOM 401 CG GLU A 26 -8.409 -4.527 -13.059 1.00 40.52 C ATOM 402 CD GLU A 26 -7.883 -4.254 -14.482 1.00 73.14 C ATOM 403 OE1 GLU A 26 -8.261 -3.231 -15.098 1.00 11.45 O ATOM 404 OE2 GLU A 26 -7.083 -5.070 -14.984 1.00 25.05 O ATOM 0 H GLU A 26 -9.276 -3.068 -10.668 1.00 75.22 H new ATOM 0 HA GLU A 26 -8.035 -5.706 -10.511 1.00 12.10 H new ATOM 0 HB2 GLU A 26 -7.178 -3.145 -11.949 1.00 34.23 H new ATOM 0 HB3 GLU A 26 -6.452 -4.725 -12.170 1.00 34.23 H new ATOM 0 HG2 GLU A 26 -8.703 -5.574 -12.985 1.00 40.52 H new ATOM 0 HG3 GLU A 26 -9.307 -3.932 -12.894 1.00 40.52 H new ATOM 411 N ALA A 27 -6.899 -3.188 -8.790 1.00 61.31 N ATOM 412 CA ALA A 27 -5.963 -2.770 -7.735 1.00 51.24 C ATOM 413 C ALA A 27 -6.152 -3.662 -6.500 1.00 5.22 C ATOM 414 O ALA A 27 -5.187 -4.199 -5.951 1.00 30.00 O ATOM 415 CB ALA A 27 -6.173 -1.284 -7.393 1.00 21.11 C ATOM 0 H ALA A 27 -7.655 -2.522 -8.952 1.00 61.31 H new ATOM 0 HA ALA A 27 -4.938 -2.885 -8.089 1.00 51.24 H new ATOM 0 HB1 ALA A 27 -5.474 -0.988 -6.611 1.00 21.11 H new ATOM 0 HB2 ALA A 27 -6.000 -0.678 -8.282 1.00 21.11 H new ATOM 0 HB3 ALA A 27 -7.194 -1.132 -7.043 1.00 21.11 H new ATOM 421 N GLN A 28 -7.424 -3.839 -6.096 1.00 3.41 N ATOM 422 CA GLN A 28 -7.793 -4.757 -4.998 1.00 14.21 C ATOM 423 C GLN A 28 -7.634 -6.240 -5.408 1.00 63.32 C ATOM 424 O GLN A 28 -7.386 -7.090 -4.546 1.00 21.34 O ATOM 425 CB GLN A 28 -9.232 -4.465 -4.497 1.00 43.12 C ATOM 426 CG GLN A 28 -10.320 -4.512 -5.584 1.00 71.41 C ATOM 427 CD GLN A 28 -11.717 -4.146 -5.075 1.00 2.22 C ATOM 428 OE1 GLN A 28 -12.481 -5.011 -4.648 1.00 42.34 O ATOM 429 NE2 GLN A 28 -12.066 -2.867 -5.115 1.00 55.25 N ATOM 0 H GLN A 28 -8.219 -3.356 -6.515 1.00 3.41 H new ATOM 0 HA GLN A 28 -7.102 -4.577 -4.175 1.00 14.21 H new ATOM 0 HB2 GLN A 28 -9.484 -5.187 -3.720 1.00 43.12 H new ATOM 0 HB3 GLN A 28 -9.246 -3.479 -4.032 1.00 43.12 H new ATOM 0 HG2 GLN A 28 -10.046 -3.830 -6.389 1.00 71.41 H new ATOM 0 HG3 GLN A 28 -10.350 -5.514 -6.012 1.00 71.41 H new ATOM 0 HE21 GLN A 28 -11.412 -2.171 -5.474 1.00 55.25 H new ATOM 0 HE22 GLN A 28 -12.988 -2.579 -4.787 1.00 55.25 H new ATOM 438 N GLU A 29 -7.763 -6.528 -6.726 1.00 60.50 N ATOM 439 CA GLU A 29 -7.623 -7.896 -7.291 1.00 35.22 C ATOM 440 C GLU A 29 -6.252 -8.501 -6.978 1.00 13.54 C ATOM 441 O GLU A 29 -6.167 -9.588 -6.389 1.00 1.44 O ATOM 442 CB GLU A 29 -7.845 -7.889 -8.824 1.00 24.52 C ATOM 443 CG GLU A 29 -7.656 -9.257 -9.501 1.00 12.53 C ATOM 444 CD GLU A 29 -7.817 -9.195 -11.022 1.00 15.33 C ATOM 445 OE1 GLU A 29 -6.862 -8.783 -11.710 1.00 52.21 O ATOM 446 OE2 GLU A 29 -8.888 -9.560 -11.544 1.00 74.52 O ATOM 0 H GLU A 29 -7.967 -5.818 -7.430 1.00 60.50 H new ATOM 0 HA GLU A 29 -8.389 -8.512 -6.820 1.00 35.22 H new ATOM 0 HB2 GLU A 29 -8.854 -7.531 -9.031 1.00 24.52 H new ATOM 0 HB3 GLU A 29 -7.155 -7.176 -9.275 1.00 24.52 H new ATOM 0 HG2 GLU A 29 -6.665 -9.642 -9.261 1.00 12.53 H new ATOM 0 HG3 GLU A 29 -8.380 -9.962 -9.092 1.00 12.53 H new ATOM 453 N LEU A 30 -5.191 -7.772 -7.364 1.00 2.15 N ATOM 454 CA LEU A 30 -3.808 -8.248 -7.219 1.00 52.11 C ATOM 455 C LEU A 30 -3.430 -8.429 -5.731 1.00 1.32 C ATOM 456 O LEU A 30 -2.616 -9.292 -5.400 1.00 0.43 O ATOM 457 CB LEU A 30 -2.823 -7.311 -7.994 1.00 31.05 C ATOM 458 CG LEU A 30 -2.628 -5.822 -7.489 1.00 51.30 C ATOM 459 CD1 LEU A 30 -1.512 -5.710 -6.427 1.00 54.11 C ATOM 460 CD2 LEU A 30 -2.353 -4.840 -8.660 1.00 61.51 C ATOM 0 H LEU A 30 -5.268 -6.845 -7.782 1.00 2.15 H new ATOM 0 HA LEU A 30 -3.726 -9.236 -7.671 1.00 52.11 H new ATOM 0 HB2 LEU A 30 -1.844 -7.790 -7.995 1.00 31.05 H new ATOM 0 HB3 LEU A 30 -3.157 -7.267 -9.031 1.00 31.05 H new ATOM 0 HG LEU A 30 -3.570 -5.537 -7.021 1.00 51.30 H new ATOM 0 HD11 LEU A 30 -1.414 -4.672 -6.110 1.00 54.11 H new ATOM 0 HD12 LEU A 30 -1.765 -6.330 -5.567 1.00 54.11 H new ATOM 0 HD13 LEU A 30 -0.568 -6.050 -6.854 1.00 54.11 H new ATOM 0 HD21 LEU A 30 -2.226 -3.831 -8.267 1.00 61.51 H new ATOM 0 HD22 LEU A 30 -1.446 -5.143 -9.183 1.00 61.51 H new ATOM 0 HD23 LEU A 30 -3.194 -4.856 -9.353 1.00 61.51 H new ATOM 472 N LEU A 31 -4.080 -7.632 -4.855 1.00 12.25 N ATOM 473 CA LEU A 31 -3.894 -7.693 -3.386 1.00 41.54 C ATOM 474 C LEU A 31 -4.433 -9.012 -2.781 1.00 43.41 C ATOM 475 O LEU A 31 -3.941 -9.452 -1.744 1.00 50.41 O ATOM 476 CB LEU A 31 -4.557 -6.465 -2.689 1.00 25.01 C ATOM 477 CG LEU A 31 -3.949 -5.069 -3.039 1.00 70.23 C ATOM 478 CD1 LEU A 31 -4.716 -3.919 -2.355 1.00 30.33 C ATOM 479 CD2 LEU A 31 -2.458 -5.010 -2.681 1.00 1.30 C ATOM 0 H LEU A 31 -4.753 -6.923 -5.148 1.00 12.25 H new ATOM 0 HA LEU A 31 -2.820 -7.665 -3.202 1.00 41.54 H new ATOM 0 HB2 LEU A 31 -5.616 -6.453 -2.948 1.00 25.01 H new ATOM 0 HB3 LEU A 31 -4.494 -6.607 -1.610 1.00 25.01 H new ATOM 0 HG LEU A 31 -4.051 -4.938 -4.116 1.00 70.23 H new ATOM 0 HD11 LEU A 31 -4.260 -2.966 -2.625 1.00 30.33 H new ATOM 0 HD12 LEU A 31 -5.756 -3.930 -2.682 1.00 30.33 H new ATOM 0 HD13 LEU A 31 -4.675 -4.047 -1.273 1.00 30.33 H new ATOM 0 HD21 LEU A 31 -2.061 -4.027 -2.935 1.00 1.30 H new ATOM 0 HD22 LEU A 31 -2.333 -5.186 -1.613 1.00 1.30 H new ATOM 0 HD23 LEU A 31 -1.919 -5.775 -3.240 1.00 1.30 H new ATOM 491 N ASN A 32 -5.453 -9.622 -3.426 1.00 75.34 N ATOM 492 CA ASN A 32 -5.969 -10.967 -3.029 1.00 34.13 C ATOM 493 C ASN A 32 -4.900 -12.047 -3.269 1.00 41.43 C ATOM 494 O ASN A 32 -4.746 -12.983 -2.481 1.00 60.44 O ATOM 495 CB ASN A 32 -7.246 -11.364 -3.829 1.00 50.42 C ATOM 496 CG ASN A 32 -8.464 -10.496 -3.545 1.00 52.30 C ATOM 497 OD1 ASN A 32 -9.234 -10.766 -2.628 1.00 71.21 O ATOM 498 ND2 ASN A 32 -8.667 -9.468 -4.337 1.00 71.34 N ATOM 0 H ASN A 32 -5.939 -9.211 -4.223 1.00 75.34 H new ATOM 0 HA ASN A 32 -6.219 -10.903 -1.970 1.00 34.13 H new ATOM 0 HB2 ASN A 32 -7.022 -11.316 -4.895 1.00 50.42 H new ATOM 0 HB3 ASN A 32 -7.494 -12.401 -3.602 1.00 50.42 H new ATOM 0 HD21 ASN A 32 -9.482 -8.870 -4.198 1.00 71.34 H new ATOM 0 HD22 ASN A 32 -8.010 -9.268 -5.091 1.00 71.34 H new ATOM 505 N LYS A 33 -4.172 -11.875 -4.375 1.00 54.44 N ATOM 506 CA LYS A 33 -3.237 -12.866 -4.916 1.00 10.10 C ATOM 507 C LYS A 33 -1.923 -12.889 -4.116 1.00 60.44 C ATOM 508 O LYS A 33 -1.350 -13.956 -3.872 1.00 34.04 O ATOM 509 CB LYS A 33 -2.960 -12.507 -6.404 1.00 11.32 C ATOM 510 CG LYS A 33 -4.245 -12.374 -7.260 1.00 21.42 C ATOM 511 CD LYS A 33 -3.983 -11.783 -8.664 1.00 4.22 C ATOM 512 CE LYS A 33 -3.017 -12.625 -9.507 1.00 42.23 C ATOM 513 NZ LYS A 33 -2.758 -12.001 -10.831 1.00 0.24 N ATOM 0 H LYS A 33 -4.217 -11.022 -4.933 1.00 54.44 H new ATOM 0 HA LYS A 33 -3.677 -13.861 -4.841 1.00 10.10 H new ATOM 0 HB2 LYS A 33 -2.407 -11.569 -6.446 1.00 11.32 H new ATOM 0 HB3 LYS A 33 -2.320 -13.274 -6.841 1.00 11.32 H new ATOM 0 HG2 LYS A 33 -4.706 -13.356 -7.366 1.00 21.42 H new ATOM 0 HG3 LYS A 33 -4.960 -11.741 -6.734 1.00 21.42 H new ATOM 0 HD2 LYS A 33 -4.931 -11.691 -9.194 1.00 4.22 H new ATOM 0 HD3 LYS A 33 -3.578 -10.777 -8.557 1.00 4.22 H new ATOM 0 HE2 LYS A 33 -2.076 -12.745 -8.971 1.00 42.23 H new ATOM 0 HE3 LYS A 33 -3.433 -13.623 -9.650 1.00 42.23 H new ATOM 0 HZ1 LYS A 33 -2.101 -12.598 -11.373 1.00 0.24 H new ATOM 0 HZ2 LYS A 33 -3.653 -11.909 -11.352 1.00 0.24 H new ATOM 0 HZ3 LYS A 33 -2.338 -11.059 -10.695 1.00 0.24 H new ATOM 527 N ILE A 34 -1.453 -11.693 -3.716 1.00 31.40 N ATOM 528 CA ILE A 34 -0.117 -11.506 -3.103 1.00 12.41 C ATOM 529 C ILE A 34 -0.194 -11.336 -1.559 1.00 31.42 C ATOM 530 O ILE A 34 0.718 -11.763 -0.834 1.00 10.01 O ATOM 531 CB ILE A 34 0.619 -10.276 -3.771 1.00 72.14 C ATOM 532 CG1 ILE A 34 -0.132 -8.937 -3.480 1.00 33.11 C ATOM 533 CG2 ILE A 34 0.771 -10.494 -5.303 1.00 71.34 C ATOM 534 CD1 ILE A 34 0.424 -7.708 -4.178 1.00 53.12 C ATOM 0 H ILE A 34 -1.985 -10.828 -3.807 1.00 31.40 H new ATOM 0 HA ILE A 34 0.461 -12.411 -3.289 1.00 12.41 H new ATOM 0 HB ILE A 34 1.613 -10.204 -3.330 1.00 72.14 H new ATOM 0 HG12 ILE A 34 -1.176 -9.056 -3.770 1.00 33.11 H new ATOM 0 HG13 ILE A 34 -0.118 -8.760 -2.405 1.00 33.11 H new ATOM 0 HG21 ILE A 34 1.280 -9.637 -5.744 1.00 71.34 H new ATOM 0 HG22 ILE A 34 1.355 -11.396 -5.486 1.00 71.34 H new ATOM 0 HG23 ILE A 34 -0.215 -10.602 -5.755 1.00 71.34 H new ATOM 0 HD11 ILE A 34 -0.170 -6.835 -3.907 1.00 53.12 H new ATOM 0 HD12 ILE A 34 1.458 -7.552 -3.871 1.00 53.12 H new ATOM 0 HD13 ILE A 34 0.384 -7.853 -5.258 1.00 53.12 H new ATOM 546 N LEU A 35 -1.288 -10.717 -1.069 1.00 43.24 N ATOM 547 CA LEU A 35 -1.503 -10.432 0.375 1.00 51.20 C ATOM 548 C LEU A 35 -2.728 -11.201 0.898 1.00 52.54 C ATOM 549 O LEU A 35 -3.379 -11.944 0.150 1.00 34.41 O ATOM 550 CB LEU A 35 -1.733 -8.902 0.600 1.00 75.41 C ATOM 551 CG LEU A 35 -0.626 -7.927 0.103 1.00 12.42 C ATOM 552 CD1 LEU A 35 -0.990 -6.466 0.437 1.00 63.34 C ATOM 553 CD2 LEU A 35 0.751 -8.300 0.674 1.00 42.34 C ATOM 0 H LEU A 35 -2.054 -10.397 -1.662 1.00 43.24 H new ATOM 0 HA LEU A 35 -0.613 -10.752 0.917 1.00 51.20 H new ATOM 0 HB2 LEU A 35 -2.667 -8.627 0.111 1.00 75.41 H new ATOM 0 HB3 LEU A 35 -1.872 -8.736 1.668 1.00 75.41 H new ATOM 0 HG LEU A 35 -0.565 -8.020 -0.981 1.00 12.42 H new ATOM 0 HD11 LEU A 35 -0.201 -5.804 0.080 1.00 63.34 H new ATOM 0 HD12 LEU A 35 -1.930 -6.205 -0.049 1.00 63.34 H new ATOM 0 HD13 LEU A 35 -1.096 -6.355 1.516 1.00 63.34 H new ATOM 0 HD21 LEU A 35 1.500 -7.598 0.306 1.00 42.34 H new ATOM 0 HD22 LEU A 35 0.717 -8.257 1.763 1.00 42.34 H new ATOM 0 HD23 LEU A 35 1.014 -9.310 0.359 1.00 42.34 H new ATOM 565 N SER A 36 -3.020 -11.004 2.191 1.00 11.45 N ATOM 566 CA SER A 36 -4.241 -11.508 2.836 1.00 54.32 C ATOM 567 C SER A 36 -5.484 -10.682 2.416 1.00 1.12 C ATOM 568 O SER A 36 -5.356 -9.491 2.085 1.00 4.21 O ATOM 569 CB SER A 36 -4.078 -11.437 4.367 1.00 24.24 C ATOM 570 OG SER A 36 -2.973 -12.201 4.808 1.00 2.15 O ATOM 0 H SER A 36 -2.411 -10.486 2.824 1.00 11.45 H new ATOM 0 HA SER A 36 -4.392 -12.540 2.518 1.00 54.32 H new ATOM 0 HB2 SER A 36 -3.948 -10.399 4.672 1.00 24.24 H new ATOM 0 HB3 SER A 36 -4.987 -11.799 4.848 1.00 24.24 H new ATOM 0 HG SER A 36 -2.989 -12.265 5.786 1.00 2.15 H new ATOM 576 N PRO A 37 -6.714 -11.303 2.437 1.00 13.22 N ATOM 577 CA PRO A 37 -7.991 -10.580 2.197 1.00 22.34 C ATOM 578 C PRO A 37 -8.221 -9.432 3.204 1.00 21.10 C ATOM 579 O PRO A 37 -8.833 -8.422 2.862 1.00 30.35 O ATOM 580 CB PRO A 37 -9.074 -11.692 2.339 1.00 73.13 C ATOM 581 CG PRO A 37 -8.397 -12.810 3.078 1.00 42.40 C ATOM 582 CD PRO A 37 -6.958 -12.762 2.627 1.00 20.44 C ATOM 0 HA PRO A 37 -8.007 -10.089 1.224 1.00 22.34 H new ATOM 0 HB2 PRO A 37 -9.943 -11.327 2.887 1.00 73.13 H new ATOM 0 HB3 PRO A 37 -9.428 -12.023 1.363 1.00 73.13 H new ATOM 0 HG2 PRO A 37 -8.477 -12.675 4.157 1.00 42.40 H new ATOM 0 HG3 PRO A 37 -8.853 -13.772 2.842 1.00 42.40 H new ATOM 0 HD2 PRO A 37 -6.287 -13.190 3.372 1.00 20.44 H new ATOM 0 HD3 PRO A 37 -6.806 -13.320 1.703 1.00 20.44 H new ATOM 590 N ASP A 38 -7.692 -9.623 4.427 1.00 44.31 N ATOM 591 CA ASP A 38 -7.785 -8.661 5.554 1.00 51.12 C ATOM 592 C ASP A 38 -7.167 -7.293 5.213 1.00 33.21 C ATOM 593 O ASP A 38 -7.691 -6.243 5.615 1.00 5.22 O ATOM 594 CB ASP A 38 -7.060 -9.230 6.804 1.00 55.34 C ATOM 595 CG ASP A 38 -7.600 -10.591 7.260 1.00 15.30 C ATOM 596 OD1 ASP A 38 -8.317 -10.662 8.288 1.00 2.51 O ATOM 597 OD2 ASP A 38 -7.323 -11.604 6.575 1.00 34.53 O ATOM 0 H ASP A 38 -7.175 -10.468 4.670 1.00 44.31 H new ATOM 0 HA ASP A 38 -8.847 -8.518 5.754 1.00 51.12 H new ATOM 0 HB2 ASP A 38 -5.997 -9.325 6.585 1.00 55.34 H new ATOM 0 HB3 ASP A 38 -7.154 -8.518 7.624 1.00 55.34 H new ATOM 602 N VAL A 39 -6.048 -7.333 4.470 1.00 32.41 N ATOM 603 CA VAL A 39 -5.247 -6.143 4.145 1.00 52.52 C ATOM 604 C VAL A 39 -6.029 -5.221 3.196 1.00 64.12 C ATOM 605 O VAL A 39 -6.282 -4.067 3.515 1.00 51.34 O ATOM 606 CB VAL A 39 -3.856 -6.534 3.517 1.00 35.14 C ATOM 607 CG1 VAL A 39 -3.012 -5.273 3.226 1.00 1.25 C ATOM 608 CG2 VAL A 39 -3.084 -7.528 4.430 1.00 41.43 C ATOM 0 H VAL A 39 -5.673 -8.196 4.077 1.00 32.41 H new ATOM 0 HA VAL A 39 -5.048 -5.609 5.074 1.00 52.52 H new ATOM 0 HB VAL A 39 -4.046 -7.039 2.570 1.00 35.14 H new ATOM 0 HG11 VAL A 39 -2.056 -5.567 2.793 1.00 1.25 H new ATOM 0 HG12 VAL A 39 -3.546 -4.632 2.525 1.00 1.25 H new ATOM 0 HG13 VAL A 39 -2.838 -4.730 4.155 1.00 1.25 H new ATOM 0 HG21 VAL A 39 -2.129 -7.778 3.969 1.00 41.43 H new ATOM 0 HG22 VAL A 39 -2.908 -7.068 5.402 1.00 41.43 H new ATOM 0 HG23 VAL A 39 -3.673 -8.436 4.560 1.00 41.43 H new ATOM 618 N LEU A 40 -6.458 -5.765 2.047 1.00 24.31 N ATOM 619 CA LEU A 40 -7.215 -4.994 1.035 1.00 62.43 C ATOM 620 C LEU A 40 -8.595 -4.558 1.571 1.00 72.12 C ATOM 621 O LEU A 40 -9.152 -3.553 1.121 1.00 23.35 O ATOM 622 CB LEU A 40 -7.355 -5.822 -0.268 1.00 4.11 C ATOM 623 CG LEU A 40 -8.189 -7.159 -0.166 1.00 55.31 C ATOM 624 CD1 LEU A 40 -9.647 -6.987 -0.642 1.00 2.42 C ATOM 625 CD2 LEU A 40 -7.502 -8.323 -0.896 1.00 33.33 C ATOM 0 H LEU A 40 -6.295 -6.739 1.790 1.00 24.31 H new ATOM 0 HA LEU A 40 -6.658 -4.084 0.811 1.00 62.43 H new ATOM 0 HB2 LEU A 40 -7.816 -5.189 -1.027 1.00 4.11 H new ATOM 0 HB3 LEU A 40 -6.355 -6.070 -0.624 1.00 4.11 H new ATOM 0 HG LEU A 40 -8.227 -7.409 0.894 1.00 55.31 H new ATOM 0 HD11 LEU A 40 -10.174 -7.937 -0.550 1.00 2.42 H new ATOM 0 HD12 LEU A 40 -10.144 -6.235 -0.028 1.00 2.42 H new ATOM 0 HD13 LEU A 40 -9.654 -6.667 -1.684 1.00 2.42 H new ATOM 0 HD21 LEU A 40 -8.110 -9.222 -0.800 1.00 33.33 H new ATOM 0 HD22 LEU A 40 -7.387 -8.074 -1.951 1.00 33.33 H new ATOM 0 HD23 LEU A 40 -6.521 -8.500 -0.456 1.00 33.33 H new ATOM 637 N ASP A 41 -9.109 -5.334 2.551 1.00 64.42 N ATOM 638 CA ASP A 41 -10.423 -5.116 3.182 1.00 15.40 C ATOM 639 C ASP A 41 -10.423 -3.806 3.986 1.00 63.53 C ATOM 640 O ASP A 41 -11.311 -2.972 3.817 1.00 71.42 O ATOM 641 CB ASP A 41 -10.792 -6.327 4.089 1.00 64.54 C ATOM 642 CG ASP A 41 -12.256 -6.299 4.567 1.00 1.15 C ATOM 643 OD1 ASP A 41 -12.528 -5.887 5.711 1.00 12.02 O ATOM 644 OD2 ASP A 41 -13.144 -6.681 3.778 1.00 50.14 O ATOM 0 H ASP A 41 -8.612 -6.141 2.929 1.00 64.42 H new ATOM 0 HA ASP A 41 -11.178 -5.032 2.401 1.00 15.40 H new ATOM 0 HB2 ASP A 41 -10.612 -7.252 3.541 1.00 64.54 H new ATOM 0 HB3 ASP A 41 -10.133 -6.338 4.957 1.00 64.54 H new ATOM 649 N GLN A 42 -9.395 -3.629 4.831 1.00 14.33 N ATOM 650 CA GLN A 42 -9.242 -2.414 5.653 1.00 21.22 C ATOM 651 C GLN A 42 -8.810 -1.205 4.795 1.00 44.42 C ATOM 652 O GLN A 42 -9.192 -0.062 5.081 1.00 75.33 O ATOM 653 CB GLN A 42 -8.235 -2.669 6.815 1.00 14.31 C ATOM 654 CG GLN A 42 -6.782 -3.009 6.377 1.00 20.25 C ATOM 655 CD GLN A 42 -5.808 -3.370 7.511 1.00 61.33 C ATOM 656 OE1 GLN A 42 -4.603 -3.106 7.421 1.00 45.31 O ATOM 657 NE2 GLN A 42 -6.297 -4.001 8.561 1.00 74.41 N ATOM 0 H GLN A 42 -8.652 -4.315 4.964 1.00 14.33 H new ATOM 0 HA GLN A 42 -10.212 -2.173 6.087 1.00 21.22 H new ATOM 0 HB2 GLN A 42 -8.207 -1.783 7.450 1.00 14.31 H new ATOM 0 HB3 GLN A 42 -8.613 -3.488 7.427 1.00 14.31 H new ATOM 0 HG2 GLN A 42 -6.820 -3.843 5.677 1.00 20.25 H new ATOM 0 HG3 GLN A 42 -6.377 -2.155 5.834 1.00 20.25 H new ATOM 0 HE21 GLN A 42 -7.294 -4.208 8.613 1.00 74.41 H new ATOM 0 HE22 GLN A 42 -5.678 -4.282 9.321 1.00 74.41 H new ATOM 666 N VAL A 43 -8.025 -1.489 3.734 1.00 45.34 N ATOM 667 CA VAL A 43 -7.531 -0.480 2.778 1.00 23.22 C ATOM 668 C VAL A 43 -8.696 0.190 2.023 1.00 21.42 C ATOM 669 O VAL A 43 -8.753 1.414 1.961 1.00 44.55 O ATOM 670 CB VAL A 43 -6.477 -1.118 1.771 1.00 51.31 C ATOM 671 CG1 VAL A 43 -6.231 -0.249 0.515 1.00 44.40 C ATOM 672 CG2 VAL A 43 -5.129 -1.391 2.485 1.00 52.12 C ATOM 0 H VAL A 43 -7.714 -2.436 3.516 1.00 45.34 H new ATOM 0 HA VAL A 43 -7.019 0.297 3.345 1.00 23.22 H new ATOM 0 HB VAL A 43 -6.915 -2.058 1.434 1.00 51.31 H new ATOM 0 HG11 VAL A 43 -5.503 -0.740 -0.130 1.00 44.40 H new ATOM 0 HG12 VAL A 43 -7.168 -0.120 -0.027 1.00 44.40 H new ATOM 0 HG13 VAL A 43 -5.849 0.726 0.816 1.00 44.40 H new ATOM 0 HG21 VAL A 43 -4.424 -1.827 1.777 1.00 52.12 H new ATOM 0 HG22 VAL A 43 -4.725 -0.455 2.870 1.00 52.12 H new ATOM 0 HG23 VAL A 43 -5.289 -2.084 3.311 1.00 52.12 H new ATOM 682 N ARG A 44 -9.640 -0.612 1.502 1.00 13.44 N ATOM 683 CA ARG A 44 -10.740 -0.098 0.646 1.00 64.01 C ATOM 684 C ARG A 44 -11.774 0.736 1.457 1.00 21.10 C ATOM 685 O ARG A 44 -12.465 1.588 0.890 1.00 35.54 O ATOM 686 CB ARG A 44 -11.421 -1.267 -0.117 1.00 5.13 C ATOM 687 CG ARG A 44 -12.196 -2.260 0.776 1.00 4.11 C ATOM 688 CD ARG A 44 -12.631 -3.538 0.040 1.00 11.13 C ATOM 689 NE ARG A 44 -13.519 -3.277 -1.101 1.00 53.32 N ATOM 690 CZ ARG A 44 -14.013 -4.221 -1.921 1.00 3.44 C ATOM 691 NH1 ARG A 44 -13.726 -5.520 -1.745 1.00 72.12 N ATOM 692 NH2 ARG A 44 -14.806 -3.862 -2.917 1.00 50.21 N ATOM 0 H ARG A 44 -9.669 -1.620 1.655 1.00 13.44 H new ATOM 0 HA ARG A 44 -10.303 0.581 -0.086 1.00 64.01 H new ATOM 0 HB2 ARG A 44 -12.108 -0.850 -0.853 1.00 5.13 H new ATOM 0 HB3 ARG A 44 -10.658 -1.816 -0.668 1.00 5.13 H new ATOM 0 HG2 ARG A 44 -11.572 -2.535 1.626 1.00 4.11 H new ATOM 0 HG3 ARG A 44 -13.079 -1.763 1.177 1.00 4.11 H new ATOM 0 HD2 ARG A 44 -11.745 -4.066 -0.312 1.00 11.13 H new ATOM 0 HD3 ARG A 44 -13.138 -4.199 0.743 1.00 11.13 H new ATOM 0 HE ARG A 44 -13.780 -2.308 -1.285 1.00 53.32 H new ATOM 0 HH11 ARG A 44 -13.121 -5.809 -0.976 1.00 72.12 H new ATOM 0 HH12 ARG A 44 -14.113 -6.218 -2.380 1.00 72.12 H new ATOM 0 HH21 ARG A 44 -15.036 -2.878 -3.056 1.00 50.21 H new ATOM 0 HH22 ARG A 44 -15.187 -4.569 -3.546 1.00 50.21 H new ATOM 706 N GLU A 45 -11.846 0.495 2.786 1.00 60.12 N ATOM 707 CA GLU A 45 -12.710 1.272 3.714 1.00 34.34 C ATOM 708 C GLU A 45 -12.090 2.652 4.000 1.00 0.21 C ATOM 709 O GLU A 45 -12.742 3.693 3.834 1.00 23.11 O ATOM 710 CB GLU A 45 -12.906 0.492 5.039 1.00 54.51 C ATOM 711 CG GLU A 45 -13.540 -0.896 4.856 1.00 64.02 C ATOM 712 CD GLU A 45 -13.665 -1.670 6.173 1.00 20.41 C ATOM 713 OE1 GLU A 45 -14.779 -1.753 6.735 1.00 65.12 O ATOM 714 OE2 GLU A 45 -12.639 -2.167 6.672 1.00 53.21 O ATOM 0 H GLU A 45 -11.310 -0.240 3.247 1.00 60.12 H new ATOM 0 HA GLU A 45 -13.681 1.419 3.242 1.00 34.34 H new ATOM 0 HB2 GLU A 45 -11.939 0.377 5.528 1.00 54.51 H new ATOM 0 HB3 GLU A 45 -13.533 1.082 5.707 1.00 54.51 H new ATOM 0 HG2 GLU A 45 -14.529 -0.783 4.411 1.00 64.02 H new ATOM 0 HG3 GLU A 45 -12.939 -1.475 4.155 1.00 64.02 H new ATOM 721 N HIS A 46 -10.801 2.627 4.399 1.00 24.04 N ATOM 722 CA HIS A 46 -9.998 3.839 4.693 1.00 22.33 C ATOM 723 C HIS A 46 -9.831 4.707 3.428 1.00 52.10 C ATOM 724 O HIS A 46 -9.691 5.922 3.514 1.00 42.51 O ATOM 725 CB HIS A 46 -8.618 3.417 5.271 1.00 41.03 C ATOM 726 CG HIS A 46 -7.705 4.560 5.647 1.00 3.44 C ATOM 727 ND1 HIS A 46 -7.859 5.300 6.799 1.00 35.31 N ATOM 728 CD2 HIS A 46 -6.622 5.076 5.019 1.00 55.34 C ATOM 729 CE1 HIS A 46 -6.912 6.214 6.858 1.00 4.24 C ATOM 730 NE2 HIS A 46 -6.152 6.096 5.791 1.00 62.24 N ATOM 0 H HIS A 46 -10.281 1.759 4.528 1.00 24.04 H new ATOM 0 HA HIS A 46 -10.520 4.443 5.435 1.00 22.33 H new ATOM 0 HB2 HIS A 46 -8.785 2.800 6.154 1.00 41.03 H new ATOM 0 HB3 HIS A 46 -8.109 2.792 4.537 1.00 41.03 H new ATOM 0 HD2 HIS A 46 -6.207 4.741 4.080 1.00 55.34 H new ATOM 0 HE1 HIS A 46 -6.782 6.938 7.649 1.00 4.24 H new ATOM 0 HE2 HIS A 46 -5.341 6.675 5.576 1.00 62.24 H new ATOM 739 N ALA A 47 -9.885 4.042 2.272 1.00 74.35 N ATOM 740 CA ALA A 47 -9.832 4.665 0.947 1.00 24.03 C ATOM 741 C ALA A 47 -11.014 5.613 0.725 1.00 73.32 C ATOM 742 O ALA A 47 -10.842 6.738 0.239 1.00 4.24 O ATOM 743 CB ALA A 47 -9.850 3.562 -0.099 1.00 52.34 C ATOM 0 H ALA A 47 -9.969 3.026 2.230 1.00 74.35 H new ATOM 0 HA ALA A 47 -8.920 5.257 0.868 1.00 24.03 H new ATOM 0 HB1 ALA A 47 -9.811 4.004 -1.095 1.00 52.34 H new ATOM 0 HB2 ALA A 47 -8.987 2.912 0.043 1.00 52.34 H new ATOM 0 HB3 ALA A 47 -10.765 2.978 0.003 1.00 52.34 H new ATOM 749 N ARG A 48 -12.211 5.120 1.095 1.00 21.41 N ATOM 750 CA ARG A 48 -13.455 5.896 1.051 1.00 63.21 C ATOM 751 C ARG A 48 -13.363 7.117 1.979 1.00 12.31 C ATOM 752 O ARG A 48 -13.832 8.191 1.628 1.00 43.04 O ATOM 753 CB ARG A 48 -14.663 5.017 1.462 1.00 20.11 C ATOM 754 CG ARG A 48 -14.950 3.819 0.535 1.00 61.43 C ATOM 755 CD ARG A 48 -16.242 3.070 0.925 1.00 3.54 C ATOM 756 NE ARG A 48 -16.656 2.107 -0.110 1.00 2.24 N ATOM 757 CZ ARG A 48 -17.752 1.330 -0.054 1.00 4.13 C ATOM 758 NH1 ARG A 48 -18.579 1.375 0.998 1.00 11.20 N ATOM 759 NH2 ARG A 48 -18.027 0.516 -1.068 1.00 34.05 N ATOM 0 H ARG A 48 -12.338 4.166 1.434 1.00 21.41 H new ATOM 0 HA ARG A 48 -13.601 6.239 0.027 1.00 63.21 H new ATOM 0 HB2 ARG A 48 -14.492 4.642 2.471 1.00 20.11 H new ATOM 0 HB3 ARG A 48 -15.552 5.646 1.502 1.00 20.11 H new ATOM 0 HG2 ARG A 48 -15.033 4.171 -0.493 1.00 61.43 H new ATOM 0 HG3 ARG A 48 -14.108 3.127 0.568 1.00 61.43 H new ATOM 0 HD2 ARG A 48 -16.086 2.545 1.867 1.00 3.54 H new ATOM 0 HD3 ARG A 48 -17.043 3.791 1.091 1.00 3.54 H new ATOM 0 HE ARG A 48 -16.063 2.023 -0.936 1.00 2.24 H new ATOM 0 HH11 ARG A 48 -18.382 2.006 1.775 1.00 11.20 H new ATOM 0 HH12 ARG A 48 -19.406 0.778 1.023 1.00 11.20 H new ATOM 0 HH21 ARG A 48 -17.409 0.485 -1.879 1.00 34.05 H new ATOM 0 HH22 ARG A 48 -18.856 -0.077 -1.035 1.00 34.05 H new ATOM 773 N GLU A 49 -12.726 6.930 3.147 1.00 61.10 N ATOM 774 CA GLU A 49 -12.556 7.996 4.153 1.00 34.22 C ATOM 775 C GLU A 49 -11.724 9.166 3.603 1.00 4.13 C ATOM 776 O GLU A 49 -12.114 10.326 3.743 1.00 62.40 O ATOM 777 CB GLU A 49 -11.901 7.426 5.434 1.00 2.41 C ATOM 778 CG GLU A 49 -12.724 6.325 6.123 1.00 43.25 C ATOM 779 CD GLU A 49 -14.140 6.785 6.522 1.00 44.44 C ATOM 780 OE1 GLU A 49 -14.283 7.477 7.553 1.00 34.43 O ATOM 781 OE2 GLU A 49 -15.114 6.463 5.811 1.00 10.30 O ATOM 0 H GLU A 49 -12.315 6.038 3.422 1.00 61.10 H new ATOM 0 HA GLU A 49 -13.546 8.380 4.400 1.00 34.22 H new ATOM 0 HB2 GLU A 49 -10.919 7.026 5.180 1.00 2.41 H new ATOM 0 HB3 GLU A 49 -11.740 8.240 6.140 1.00 2.41 H new ATOM 0 HG2 GLU A 49 -12.802 5.467 5.455 1.00 43.25 H new ATOM 0 HG3 GLU A 49 -12.194 5.988 7.014 1.00 43.25 H new ATOM 788 N LEU A 50 -10.591 8.832 2.953 1.00 64.31 N ATOM 789 CA LEU A 50 -9.680 9.826 2.342 1.00 65.14 C ATOM 790 C LEU A 50 -10.390 10.577 1.199 1.00 24.51 C ATOM 791 O LEU A 50 -10.181 11.773 1.009 1.00 40.32 O ATOM 792 CB LEU A 50 -8.393 9.134 1.816 1.00 73.24 C ATOM 793 CG LEU A 50 -7.598 8.284 2.854 1.00 53.10 C ATOM 794 CD1 LEU A 50 -6.374 7.625 2.198 1.00 22.41 C ATOM 795 CD2 LEU A 50 -7.188 9.111 4.090 1.00 15.14 C ATOM 0 H LEU A 50 -10.280 7.868 2.836 1.00 64.31 H new ATOM 0 HA LEU A 50 -9.396 10.548 3.108 1.00 65.14 H new ATOM 0 HB2 LEU A 50 -8.667 8.488 0.982 1.00 73.24 H new ATOM 0 HB3 LEU A 50 -7.728 9.902 1.420 1.00 73.24 H new ATOM 0 HG LEU A 50 -8.265 7.496 3.205 1.00 53.10 H new ATOM 0 HD11 LEU A 50 -5.835 7.037 2.941 1.00 22.41 H new ATOM 0 HD12 LEU A 50 -6.702 6.973 1.388 1.00 22.41 H new ATOM 0 HD13 LEU A 50 -5.716 8.397 1.799 1.00 22.41 H new ATOM 0 HD21 LEU A 50 -6.637 8.478 4.785 1.00 15.14 H new ATOM 0 HD22 LEU A 50 -6.556 9.943 3.778 1.00 15.14 H new ATOM 0 HD23 LEU A 50 -8.081 9.498 4.581 1.00 15.14 H new ATOM 807 N GLN A 51 -11.253 9.839 0.477 1.00 44.33 N ATOM 808 CA GLN A 51 -12.094 10.381 -0.604 1.00 74.23 C ATOM 809 C GLN A 51 -13.074 11.441 -0.054 1.00 0.44 C ATOM 810 O GLN A 51 -13.190 12.533 -0.620 1.00 64.13 O ATOM 811 CB GLN A 51 -12.869 9.220 -1.292 1.00 44.54 C ATOM 812 CG GLN A 51 -13.833 9.650 -2.422 1.00 73.42 C ATOM 813 CD GLN A 51 -14.566 8.490 -3.112 1.00 51.15 C ATOM 814 OE1 GLN A 51 -14.883 8.565 -4.306 1.00 4.22 O ATOM 815 NE2 GLN A 51 -14.868 7.425 -2.373 1.00 23.24 N ATOM 0 H GLN A 51 -11.387 8.839 0.630 1.00 44.33 H new ATOM 0 HA GLN A 51 -11.455 10.868 -1.341 1.00 74.23 H new ATOM 0 HB2 GLN A 51 -12.146 8.515 -1.702 1.00 44.54 H new ATOM 0 HB3 GLN A 51 -13.440 8.686 -0.533 1.00 44.54 H new ATOM 0 HG2 GLN A 51 -14.573 10.336 -2.009 1.00 73.42 H new ATOM 0 HG3 GLN A 51 -13.269 10.204 -3.172 1.00 73.42 H new ATOM 0 HE21 GLN A 51 -14.594 7.391 -1.391 1.00 23.24 H new ATOM 0 HE22 GLN A 51 -15.374 6.643 -2.789 1.00 23.24 H new ATOM 824 N LYS A 52 -13.737 11.109 1.079 1.00 54.34 N ATOM 825 CA LYS A 52 -14.703 12.009 1.750 1.00 3.53 C ATOM 826 C LYS A 52 -14.009 13.301 2.222 1.00 2.20 C ATOM 827 O LYS A 52 -14.554 14.400 2.091 1.00 25.53 O ATOM 828 CB LYS A 52 -15.365 11.311 2.973 1.00 44.50 C ATOM 829 CG LYS A 52 -16.142 10.018 2.650 1.00 21.51 C ATOM 830 CD LYS A 52 -16.847 9.394 3.888 1.00 14.20 C ATOM 831 CE LYS A 52 -18.207 10.041 4.235 1.00 73.20 C ATOM 832 NZ LYS A 52 -18.109 11.490 4.565 1.00 63.41 N ATOM 0 H LYS A 52 -13.617 10.213 1.552 1.00 54.34 H new ATOM 0 HA LYS A 52 -15.475 12.257 1.021 1.00 3.53 H new ATOM 0 HB2 LYS A 52 -14.589 11.077 3.702 1.00 44.50 H new ATOM 0 HB3 LYS A 52 -16.047 12.016 3.449 1.00 44.50 H new ATOM 0 HG2 LYS A 52 -16.889 10.233 1.886 1.00 21.51 H new ATOM 0 HG3 LYS A 52 -15.454 9.286 2.226 1.00 21.51 H new ATOM 0 HD2 LYS A 52 -16.999 8.330 3.708 1.00 14.20 H new ATOM 0 HD3 LYS A 52 -16.186 9.480 4.750 1.00 14.20 H new ATOM 0 HE2 LYS A 52 -18.886 9.914 3.392 1.00 73.20 H new ATOM 0 HE3 LYS A 52 -18.646 9.513 5.081 1.00 73.20 H new ATOM 0 HZ1 LYS A 52 -18.943 11.778 5.116 1.00 63.41 H new ATOM 0 HZ2 LYS A 52 -17.248 11.661 5.123 1.00 63.41 H new ATOM 0 HZ3 LYS A 52 -18.067 12.044 3.686 1.00 63.41 H new ATOM 846 N GLN A 53 -12.790 13.134 2.760 1.00 52.23 N ATOM 847 CA GLN A 53 -11.975 14.233 3.300 1.00 33.34 C ATOM 848 C GLN A 53 -11.347 15.074 2.172 1.00 61.42 C ATOM 849 O GLN A 53 -10.949 16.212 2.409 1.00 53.33 O ATOM 850 CB GLN A 53 -10.878 13.660 4.243 1.00 21.21 C ATOM 851 CG GLN A 53 -11.436 12.928 5.483 1.00 74.31 C ATOM 852 CD GLN A 53 -10.353 12.239 6.321 1.00 2.33 C ATOM 853 OE1 GLN A 53 -9.794 12.828 7.246 1.00 51.03 O ATOM 854 NE2 GLN A 53 -10.041 10.993 5.999 1.00 41.13 N ATOM 0 H GLN A 53 -12.338 12.222 2.833 1.00 52.23 H new ATOM 0 HA GLN A 53 -12.624 14.895 3.873 1.00 33.34 H new ATOM 0 HB2 GLN A 53 -10.252 12.970 3.678 1.00 21.21 H new ATOM 0 HB3 GLN A 53 -10.235 14.476 4.574 1.00 21.21 H new ATOM 0 HG2 GLN A 53 -11.969 13.644 6.109 1.00 74.31 H new ATOM 0 HG3 GLN A 53 -12.163 12.183 5.160 1.00 74.31 H new ATOM 0 HE21 GLN A 53 -10.521 10.530 5.227 1.00 41.13 H new ATOM 0 HE22 GLN A 53 -9.320 10.496 6.523 1.00 41.13 H new ATOM 863 N GLY A 54 -11.263 14.500 0.951 1.00 63.44 N ATOM 864 CA GLY A 54 -10.738 15.213 -0.223 1.00 25.31 C ATOM 865 C GLY A 54 -9.215 15.247 -0.266 1.00 53.55 C ATOM 866 O GLY A 54 -8.613 16.254 -0.653 1.00 2.15 O ATOM 0 H GLY A 54 -11.554 13.542 0.758 1.00 63.44 H new ATOM 0 HA2 GLY A 54 -11.111 14.735 -1.129 1.00 25.31 H new ATOM 0 HA3 GLY A 54 -11.119 16.234 -0.222 1.00 25.31 H new ATOM 870 N ILE A 55 -8.601 14.130 0.144 1.00 63.45 N ATOM 871 CA ILE A 55 -7.140 13.955 0.171 1.00 4.15 C ATOM 872 C ILE A 55 -6.695 13.363 -1.179 1.00 61.15 C ATOM 873 O ILE A 55 -6.727 12.143 -1.378 1.00 50.22 O ATOM 874 CB ILE A 55 -6.702 13.036 1.384 1.00 40.31 C ATOM 875 CG1 ILE A 55 -7.281 13.614 2.718 1.00 54.25 C ATOM 876 CG2 ILE A 55 -5.156 12.889 1.457 1.00 71.22 C ATOM 877 CD1 ILE A 55 -6.982 12.810 3.972 1.00 62.05 C ATOM 0 H ILE A 55 -9.111 13.310 0.471 1.00 63.45 H new ATOM 0 HA ILE A 55 -6.653 14.919 0.318 1.00 4.15 H new ATOM 0 HB ILE A 55 -7.108 12.037 1.228 1.00 40.31 H new ATOM 0 HG12 ILE A 55 -6.891 14.623 2.854 1.00 54.25 H new ATOM 0 HG13 ILE A 55 -8.363 13.702 2.615 1.00 54.25 H new ATOM 0 HG21 ILE A 55 -4.891 12.252 2.301 1.00 71.22 H new ATOM 0 HG22 ILE A 55 -4.789 12.440 0.534 1.00 71.22 H new ATOM 0 HG23 ILE A 55 -4.703 13.872 1.587 1.00 71.22 H new ATOM 0 HD11 ILE A 55 -7.430 13.302 4.835 1.00 62.05 H new ATOM 0 HD12 ILE A 55 -7.398 11.808 3.869 1.00 62.05 H new ATOM 0 HD13 ILE A 55 -5.903 12.743 4.113 1.00 62.05 H new ATOM 889 N HIS A 56 -6.393 14.254 -2.137 1.00 14.52 N ATOM 890 CA HIS A 56 -5.964 13.870 -3.496 1.00 24.31 C ATOM 891 C HIS A 56 -4.430 13.811 -3.534 1.00 73.51 C ATOM 892 O HIS A 56 -3.776 14.844 -3.455 1.00 55.44 O ATOM 893 CB HIS A 56 -6.494 14.902 -4.529 1.00 65.51 C ATOM 894 CG HIS A 56 -7.990 15.055 -4.508 1.00 4.13 C ATOM 895 ND1 HIS A 56 -8.845 14.260 -5.238 1.00 10.34 N ATOM 896 CD2 HIS A 56 -8.779 15.918 -3.830 1.00 31.34 C ATOM 897 CE1 HIS A 56 -10.087 14.620 -4.997 1.00 25.35 C ATOM 898 NE2 HIS A 56 -10.076 15.623 -4.146 1.00 20.20 N ATOM 0 H HIS A 56 -6.439 15.263 -1.993 1.00 14.52 H new ATOM 0 HA HIS A 56 -6.370 12.891 -3.751 1.00 24.31 H new ATOM 0 HB2 HIS A 56 -6.035 15.871 -4.332 1.00 65.51 H new ATOM 0 HB3 HIS A 56 -6.181 14.598 -5.528 1.00 65.51 H new ATOM 0 HD2 HIS A 56 -8.446 16.698 -3.161 1.00 31.34 H new ATOM 0 HE1 HIS A 56 -10.969 14.168 -5.426 1.00 25.35 H new ATOM 0 HE2 HIS A 56 -10.900 16.102 -3.782 1.00 20.20 H new ATOM 907 N PHE A 57 -3.864 12.611 -3.679 1.00 40.03 N ATOM 908 CA PHE A 57 -2.410 12.393 -3.565 1.00 64.44 C ATOM 909 C PHE A 57 -1.915 11.500 -4.706 1.00 73.15 C ATOM 910 O PHE A 57 -2.659 10.652 -5.212 1.00 43.10 O ATOM 911 CB PHE A 57 -2.074 11.759 -2.183 1.00 73.24 C ATOM 912 CG PHE A 57 -2.736 10.411 -1.950 1.00 54.52 C ATOM 913 CD1 PHE A 57 -2.074 9.238 -2.280 1.00 23.12 C ATOM 914 CD2 PHE A 57 -4.037 10.323 -1.460 1.00 75.30 C ATOM 915 CE1 PHE A 57 -2.675 8.023 -2.121 1.00 62.05 C ATOM 916 CE2 PHE A 57 -4.636 9.099 -1.293 1.00 51.11 C ATOM 917 CZ PHE A 57 -3.951 7.954 -1.637 1.00 20.52 C ATOM 0 H PHE A 57 -4.393 11.762 -3.878 1.00 40.03 H new ATOM 0 HA PHE A 57 -1.900 13.354 -3.639 1.00 64.44 H new ATOM 0 HB2 PHE A 57 -0.993 11.642 -2.100 1.00 73.24 H new ATOM 0 HB3 PHE A 57 -2.381 12.446 -1.394 1.00 73.24 H new ATOM 0 HD1 PHE A 57 -1.068 9.287 -2.669 1.00 23.12 H new ATOM 0 HD2 PHE A 57 -4.578 11.224 -1.210 1.00 75.30 H new ATOM 0 HE1 PHE A 57 -2.143 7.118 -2.377 1.00 62.05 H new ATOM 0 HE2 PHE A 57 -5.638 9.034 -0.895 1.00 51.11 H new ATOM 0 HZ PHE A 57 -4.428 6.992 -1.523 1.00 20.52 H new ATOM 927 N GLU A 58 -0.646 11.667 -5.078 1.00 61.50 N ATOM 928 CA GLU A 58 -0.006 10.866 -6.119 1.00 53.04 C ATOM 929 C GLU A 58 1.291 10.255 -5.573 1.00 3.23 C ATOM 930 O GLU A 58 2.011 10.900 -4.800 1.00 53.15 O ATOM 931 CB GLU A 58 0.278 11.730 -7.383 1.00 51.35 C ATOM 932 CG GLU A 58 0.842 10.943 -8.585 1.00 21.22 C ATOM 933 CD GLU A 58 -0.071 9.790 -9.043 1.00 73.45 C ATOM 934 OE1 GLU A 58 0.083 8.657 -8.541 1.00 13.40 O ATOM 935 OE2 GLU A 58 -0.958 10.005 -9.895 1.00 75.42 O ATOM 0 H GLU A 58 -0.030 12.366 -4.663 1.00 61.50 H new ATOM 0 HA GLU A 58 -0.680 10.061 -6.412 1.00 53.04 H new ATOM 0 HB2 GLU A 58 -0.647 12.220 -7.688 1.00 51.35 H new ATOM 0 HB3 GLU A 58 0.983 12.518 -7.118 1.00 51.35 H new ATOM 0 HG2 GLU A 58 0.996 11.628 -9.419 1.00 21.22 H new ATOM 0 HG3 GLU A 58 1.819 10.540 -8.320 1.00 21.22 H new ATOM 942 N VAL A 59 1.552 9.005 -5.986 1.00 73.14 N ATOM 943 CA VAL A 59 2.773 8.259 -5.673 1.00 71.32 C ATOM 944 C VAL A 59 3.953 8.877 -6.447 1.00 73.13 C ATOM 945 O VAL A 59 3.990 8.792 -7.679 1.00 72.24 O ATOM 946 CB VAL A 59 2.608 6.743 -6.078 1.00 62.43 C ATOM 947 CG1 VAL A 59 3.868 5.931 -5.722 1.00 4.22 C ATOM 948 CG2 VAL A 59 1.344 6.120 -5.437 1.00 4.32 C ATOM 0 H VAL A 59 0.899 8.474 -6.563 1.00 73.14 H new ATOM 0 HA VAL A 59 2.963 8.314 -4.601 1.00 71.32 H new ATOM 0 HB VAL A 59 2.481 6.705 -7.160 1.00 62.43 H new ATOM 0 HG11 VAL A 59 3.724 4.890 -6.013 1.00 4.22 H new ATOM 0 HG12 VAL A 59 4.727 6.341 -6.253 1.00 4.22 H new ATOM 0 HG13 VAL A 59 4.045 5.986 -4.648 1.00 4.22 H new ATOM 0 HG21 VAL A 59 1.261 5.075 -5.737 1.00 4.32 H new ATOM 0 HG22 VAL A 59 1.419 6.181 -4.351 1.00 4.32 H new ATOM 0 HG23 VAL A 59 0.461 6.664 -5.771 1.00 4.32 H new ATOM 958 N LYS A 60 4.880 9.534 -5.724 1.00 72.21 N ATOM 959 CA LYS A 60 6.021 10.251 -6.344 1.00 62.04 C ATOM 960 C LYS A 60 7.321 9.419 -6.299 1.00 21.15 C ATOM 961 O LYS A 60 8.187 9.558 -7.172 1.00 4.54 O ATOM 962 CB LYS A 60 6.227 11.631 -5.651 1.00 61.34 C ATOM 963 CG LYS A 60 4.975 12.550 -5.628 1.00 13.15 C ATOM 964 CD LYS A 60 4.320 12.764 -7.017 1.00 2.52 C ATOM 965 CE LYS A 60 5.283 13.332 -8.082 1.00 31.13 C ATOM 966 NZ LYS A 60 5.827 14.659 -7.709 1.00 54.24 N ATOM 0 H LYS A 60 4.864 9.585 -4.705 1.00 72.21 H new ATOM 0 HA LYS A 60 5.780 10.412 -7.395 1.00 62.04 H new ATOM 0 HB2 LYS A 60 6.552 11.460 -4.625 1.00 61.34 H new ATOM 0 HB3 LYS A 60 7.036 12.157 -6.158 1.00 61.34 H new ATOM 0 HG2 LYS A 60 4.235 12.121 -4.952 1.00 13.15 H new ATOM 0 HG3 LYS A 60 5.257 13.520 -5.218 1.00 13.15 H new ATOM 0 HD2 LYS A 60 3.923 11.813 -7.371 1.00 2.52 H new ATOM 0 HD3 LYS A 60 3.474 13.442 -6.908 1.00 2.52 H new ATOM 0 HE2 LYS A 60 6.107 12.634 -8.230 1.00 31.13 H new ATOM 0 HE3 LYS A 60 4.759 13.413 -9.034 1.00 31.13 H new ATOM 0 HZ1 LYS A 60 5.894 15.258 -8.557 1.00 54.24 H new ATOM 0 HZ2 LYS A 60 5.197 15.110 -7.015 1.00 54.24 H new ATOM 0 HZ3 LYS A 60 6.773 14.542 -7.293 1.00 54.24 H new ATOM 980 N ARG A 61 7.454 8.560 -5.280 1.00 43.41 N ATOM 981 CA ARG A 61 8.643 7.706 -5.093 1.00 62.13 C ATOM 982 C ARG A 61 8.209 6.292 -4.695 1.00 12.43 C ATOM 983 O ARG A 61 7.374 6.146 -3.815 1.00 51.35 O ATOM 984 CB ARG A 61 9.550 8.305 -3.983 1.00 13.00 C ATOM 985 CG ARG A 61 10.885 7.563 -3.751 1.00 31.33 C ATOM 986 CD ARG A 61 11.902 7.791 -4.883 1.00 74.32 C ATOM 987 NE ARG A 61 12.306 9.208 -4.982 1.00 50.43 N ATOM 988 CZ ARG A 61 13.273 9.688 -5.785 1.00 31.25 C ATOM 989 NH1 ARG A 61 13.955 8.880 -6.597 1.00 4.01 N ATOM 990 NH2 ARG A 61 13.551 10.989 -5.773 1.00 62.42 N ATOM 0 H ARG A 61 6.743 8.435 -4.560 1.00 43.41 H new ATOM 0 HA ARG A 61 9.201 7.661 -6.029 1.00 62.13 H new ATOM 0 HB2 ARG A 61 9.769 9.342 -4.236 1.00 13.00 H new ATOM 0 HB3 ARG A 61 8.992 8.316 -3.047 1.00 13.00 H new ATOM 0 HG2 ARG A 61 11.319 7.894 -2.807 1.00 31.33 H new ATOM 0 HG3 ARG A 61 10.689 6.495 -3.655 1.00 31.33 H new ATOM 0 HD2 ARG A 61 12.783 7.173 -4.709 1.00 74.32 H new ATOM 0 HD3 ARG A 61 11.469 7.470 -5.830 1.00 74.32 H new ATOM 0 HE ARG A 61 11.811 9.878 -4.393 1.00 50.43 H new ATOM 0 HH11 ARG A 61 13.747 7.882 -6.616 1.00 4.01 H new ATOM 0 HH12 ARG A 61 14.685 9.260 -7.199 1.00 4.01 H new ATOM 0 HH21 ARG A 61 13.032 11.616 -5.158 1.00 62.42 H new ATOM 0 HH22 ARG A 61 14.283 11.360 -6.379 1.00 62.42 H new ATOM 1004 N VAL A 62 8.767 5.266 -5.365 1.00 31.11 N ATOM 1005 CA VAL A 62 8.652 3.855 -4.935 1.00 15.03 C ATOM 1006 C VAL A 62 10.069 3.285 -4.770 1.00 51.44 C ATOM 1007 O VAL A 62 10.826 3.241 -5.748 1.00 2.45 O ATOM 1008 CB VAL A 62 7.848 2.947 -5.962 1.00 33.33 C ATOM 1009 CG1 VAL A 62 7.677 1.507 -5.415 1.00 4.41 C ATOM 1010 CG2 VAL A 62 6.475 3.556 -6.304 1.00 74.21 C ATOM 0 H VAL A 62 9.310 5.389 -6.219 1.00 31.11 H new ATOM 0 HA VAL A 62 8.094 3.842 -3.999 1.00 15.03 H new ATOM 0 HB VAL A 62 8.434 2.903 -6.880 1.00 33.33 H new ATOM 0 HG11 VAL A 62 7.124 0.907 -6.137 1.00 4.41 H new ATOM 0 HG12 VAL A 62 8.658 1.062 -5.249 1.00 4.41 H new ATOM 0 HG13 VAL A 62 7.129 1.538 -4.473 1.00 4.41 H new ATOM 0 HG21 VAL A 62 5.955 2.907 -7.009 1.00 74.21 H new ATOM 0 HG22 VAL A 62 5.883 3.652 -5.394 1.00 74.21 H new ATOM 0 HG23 VAL A 62 6.615 4.540 -6.752 1.00 74.21 H new ATOM 1020 N GLU A 63 10.435 2.882 -3.545 1.00 31.21 N ATOM 1021 CA GLU A 63 11.718 2.212 -3.261 1.00 74.42 C ATOM 1022 C GLU A 63 11.449 0.979 -2.398 1.00 14.13 C ATOM 1023 O GLU A 63 11.108 1.107 -1.222 1.00 61.42 O ATOM 1024 CB GLU A 63 12.696 3.178 -2.534 1.00 40.33 C ATOM 1025 CG GLU A 63 13.205 4.332 -3.411 1.00 24.21 C ATOM 1026 CD GLU A 63 14.143 5.280 -2.661 1.00 41.01 C ATOM 1027 OE1 GLU A 63 15.370 5.045 -2.647 1.00 34.43 O ATOM 1028 OE2 GLU A 63 13.659 6.252 -2.061 1.00 43.12 O ATOM 0 H GLU A 63 9.850 3.010 -2.719 1.00 31.21 H new ATOM 0 HA GLU A 63 12.184 1.911 -4.199 1.00 74.42 H new ATOM 0 HB2 GLU A 63 12.196 3.594 -1.659 1.00 40.33 H new ATOM 0 HB3 GLU A 63 13.551 2.607 -2.171 1.00 40.33 H new ATOM 0 HG2 GLU A 63 13.726 3.922 -4.276 1.00 24.21 H new ATOM 0 HG3 GLU A 63 12.353 4.896 -3.790 1.00 24.21 H new ATOM 1035 N VAL A 64 11.583 -0.213 -2.991 1.00 14.25 N ATOM 1036 CA VAL A 64 11.383 -1.487 -2.288 1.00 21.23 C ATOM 1037 C VAL A 64 12.752 -2.059 -1.854 1.00 1.42 C ATOM 1038 O VAL A 64 13.606 -2.356 -2.689 1.00 31.34 O ATOM 1039 CB VAL A 64 10.574 -2.511 -3.184 1.00 22.41 C ATOM 1040 CG1 VAL A 64 11.205 -2.721 -4.586 1.00 32.01 C ATOM 1041 CG2 VAL A 64 10.369 -3.852 -2.447 1.00 64.44 C ATOM 0 H VAL A 64 11.834 -0.322 -3.974 1.00 14.25 H new ATOM 0 HA VAL A 64 10.785 -1.312 -1.394 1.00 21.23 H new ATOM 0 HB VAL A 64 9.595 -2.065 -3.359 1.00 22.41 H new ATOM 0 HG11 VAL A 64 10.605 -3.433 -5.152 1.00 32.01 H new ATOM 0 HG12 VAL A 64 11.236 -1.770 -5.117 1.00 32.01 H new ATOM 0 HG13 VAL A 64 12.218 -3.108 -4.475 1.00 32.01 H new ATOM 0 HG21 VAL A 64 9.811 -4.536 -3.086 1.00 64.44 H new ATOM 0 HG22 VAL A 64 11.339 -4.288 -2.209 1.00 64.44 H new ATOM 0 HG23 VAL A 64 9.812 -3.680 -1.526 1.00 64.44 H new ATOM 1051 N THR A 65 12.971 -2.159 -0.534 1.00 32.32 N ATOM 1052 CA THR A 65 14.224 -2.663 0.052 1.00 43.13 C ATOM 1053 C THR A 65 13.886 -3.733 1.099 1.00 22.35 C ATOM 1054 O THR A 65 13.076 -3.492 1.992 1.00 22.12 O ATOM 1055 CB THR A 65 15.039 -1.501 0.710 1.00 4.21 C ATOM 1056 OG1 THR A 65 15.266 -0.455 -0.261 1.00 1.21 O ATOM 1057 CG2 THR A 65 16.387 -1.991 1.289 1.00 34.12 C ATOM 0 H THR A 65 12.277 -1.890 0.164 1.00 32.32 H new ATOM 0 HA THR A 65 14.839 -3.097 -0.736 1.00 43.13 H new ATOM 0 HB THR A 65 14.451 -1.112 1.542 1.00 4.21 H new ATOM 0 HG1 THR A 65 15.775 0.272 0.154 1.00 1.21 H new ATOM 0 HG21 THR A 65 16.918 -1.150 1.735 1.00 34.12 H new ATOM 0 HG22 THR A 65 16.202 -2.749 2.050 1.00 34.12 H new ATOM 0 HG23 THR A 65 16.992 -2.419 0.490 1.00 34.12 H new ATOM 1065 N THR A 66 14.516 -4.911 0.992 1.00 12.11 N ATOM 1066 CA THR A 66 14.274 -6.036 1.903 1.00 12.42 C ATOM 1067 C THR A 66 15.203 -5.924 3.119 1.00 61.32 C ATOM 1068 O THR A 66 16.339 -5.446 3.001 1.00 50.54 O ATOM 1069 CB THR A 66 14.503 -7.401 1.168 1.00 4.34 C ATOM 1070 OG1 THR A 66 15.824 -7.442 0.601 1.00 43.31 O ATOM 1071 CG2 THR A 66 13.462 -7.620 0.057 1.00 1.05 C ATOM 0 H THR A 66 15.209 -5.110 0.270 1.00 12.11 H new ATOM 0 HA THR A 66 13.238 -6.000 2.239 1.00 12.42 H new ATOM 0 HB THR A 66 14.394 -8.197 1.904 1.00 4.34 H new ATOM 0 HG1 THR A 66 15.958 -8.299 0.146 1.00 43.31 H new ATOM 0 HG21 THR A 66 13.649 -8.575 -0.433 1.00 1.05 H new ATOM 0 HG22 THR A 66 12.462 -7.624 0.491 1.00 1.05 H new ATOM 0 HG23 THR A 66 13.537 -6.816 -0.675 1.00 1.05 H new ATOM 1079 N ASP A 67 14.694 -6.330 4.285 1.00 2.45 N ATOM 1080 CA ASP A 67 15.454 -6.370 5.546 1.00 52.43 C ATOM 1081 C ASP A 67 15.214 -7.742 6.186 1.00 3.14 C ATOM 1082 O ASP A 67 14.235 -7.940 6.922 1.00 54.32 O ATOM 1083 CB ASP A 67 15.011 -5.210 6.479 1.00 31.41 C ATOM 1084 CG ASP A 67 15.768 -5.176 7.821 1.00 24.20 C ATOM 1085 OD1 ASP A 67 15.156 -5.434 8.879 1.00 1.55 O ATOM 1086 OD2 ASP A 67 16.978 -4.878 7.825 1.00 1.12 O ATOM 0 H ASP A 67 13.729 -6.645 4.386 1.00 2.45 H new ATOM 0 HA ASP A 67 16.520 -6.235 5.366 1.00 52.43 H new ATOM 0 HB2 ASP A 67 15.161 -4.262 5.963 1.00 31.41 H new ATOM 0 HB3 ASP A 67 13.943 -5.301 6.676 1.00 31.41 H new ATOM 1091 N GLY A 68 16.089 -8.695 5.830 1.00 15.51 N ATOM 1092 CA GLY A 68 15.907 -10.103 6.160 1.00 54.42 C ATOM 1093 C GLY A 68 14.715 -10.690 5.426 1.00 2.02 C ATOM 1094 O GLY A 68 14.647 -10.610 4.193 1.00 31.33 O ATOM 0 H GLY A 68 16.942 -8.503 5.304 1.00 15.51 H new ATOM 0 HA2 GLY A 68 16.807 -10.659 5.900 1.00 54.42 H new ATOM 0 HA3 GLY A 68 15.765 -10.212 7.235 1.00 54.42 H new ATOM 1098 N ASN A 69 13.751 -11.233 6.187 1.00 5.12 N ATOM 1099 CA ASN A 69 12.501 -11.803 5.638 1.00 75.44 C ATOM 1100 C ASN A 69 11.372 -10.753 5.570 1.00 22.52 C ATOM 1101 O ASN A 69 10.310 -11.022 5.011 1.00 33.44 O ATOM 1102 CB ASN A 69 12.054 -13.044 6.474 1.00 44.11 C ATOM 1103 CG ASN A 69 11.959 -12.798 7.986 1.00 34.33 C ATOM 1104 OD1 ASN A 69 11.751 -11.671 8.446 1.00 2.52 O ATOM 1105 ND2 ASN A 69 12.084 -13.859 8.774 1.00 44.14 N ATOM 0 H ASN A 69 13.813 -11.291 7.203 1.00 5.12 H new ATOM 0 HA ASN A 69 12.706 -12.124 4.617 1.00 75.44 H new ATOM 0 HB2 ASN A 69 11.081 -13.378 6.112 1.00 44.11 H new ATOM 0 HB3 ASN A 69 12.757 -13.858 6.295 1.00 44.11 H new ATOM 0 HD21 ASN A 69 12.008 -13.755 9.786 1.00 44.14 H new ATOM 0 HD22 ASN A 69 12.256 -14.779 8.368 1.00 44.14 H new ATOM 1112 N THR A 70 11.603 -9.557 6.144 1.00 51.41 N ATOM 1113 CA THR A 70 10.588 -8.490 6.214 1.00 63.24 C ATOM 1114 C THR A 70 11.001 -7.317 5.310 1.00 10.24 C ATOM 1115 O THR A 70 12.025 -6.667 5.542 1.00 21.32 O ATOM 1116 CB THR A 70 10.411 -8.011 7.681 1.00 74.42 C ATOM 1117 OG1 THR A 70 10.154 -9.150 8.525 1.00 72.15 O ATOM 1118 CG2 THR A 70 9.260 -7.002 7.826 1.00 51.34 C ATOM 0 H THR A 70 12.495 -9.304 6.570 1.00 51.41 H new ATOM 0 HA THR A 70 9.634 -8.883 5.864 1.00 63.24 H new ATOM 0 HB THR A 70 11.332 -7.510 7.980 1.00 74.42 H new ATOM 0 HG1 THR A 70 10.889 -9.793 8.440 1.00 72.15 H new ATOM 0 HG21 THR A 70 9.174 -6.695 8.868 1.00 51.34 H new ATOM 0 HG22 THR A 70 9.462 -6.128 7.206 1.00 51.34 H new ATOM 0 HG23 THR A 70 8.327 -7.466 7.506 1.00 51.34 H new ATOM 1126 N VAL A 71 10.195 -7.063 4.277 1.00 73.11 N ATOM 1127 CA VAL A 71 10.481 -6.048 3.252 1.00 24.54 C ATOM 1128 C VAL A 71 9.835 -4.689 3.617 1.00 14.25 C ATOM 1129 O VAL A 71 8.664 -4.624 3.986 1.00 54.13 O ATOM 1130 CB VAL A 71 10.006 -6.554 1.834 1.00 60.22 C ATOM 1131 CG1 VAL A 71 8.544 -7.023 1.832 1.00 35.34 C ATOM 1132 CG2 VAL A 71 10.268 -5.499 0.736 1.00 24.43 C ATOM 0 H VAL A 71 9.317 -7.559 4.124 1.00 73.11 H new ATOM 0 HA VAL A 71 11.559 -5.891 3.211 1.00 24.54 H new ATOM 0 HB VAL A 71 10.611 -7.430 1.600 1.00 60.22 H new ATOM 0 HG11 VAL A 71 8.271 -7.360 0.832 1.00 35.34 H new ATOM 0 HG12 VAL A 71 8.425 -7.846 2.537 1.00 35.34 H new ATOM 0 HG13 VAL A 71 7.896 -6.197 2.126 1.00 35.34 H new ATOM 0 HG21 VAL A 71 9.928 -5.883 -0.226 1.00 24.43 H new ATOM 0 HG22 VAL A 71 9.725 -4.584 0.974 1.00 24.43 H new ATOM 0 HG23 VAL A 71 11.336 -5.285 0.684 1.00 24.43 H new ATOM 1142 N ASN A 72 10.640 -3.623 3.538 1.00 1.42 N ATOM 1143 CA ASN A 72 10.220 -2.229 3.761 1.00 14.32 C ATOM 1144 C ASN A 72 10.094 -1.513 2.414 1.00 64.21 C ATOM 1145 O ASN A 72 11.104 -1.284 1.733 1.00 24.21 O ATOM 1146 CB ASN A 72 11.272 -1.484 4.625 1.00 4.10 C ATOM 1147 CG ASN A 72 11.439 -2.079 6.017 1.00 33.12 C ATOM 1148 OD1 ASN A 72 10.788 -1.650 6.965 1.00 74.21 O ATOM 1149 ND2 ASN A 72 12.307 -3.072 6.163 1.00 2.14 N ATOM 0 H ASN A 72 11.631 -3.706 3.311 1.00 1.42 H new ATOM 0 HA ASN A 72 9.260 -2.231 4.278 1.00 14.32 H new ATOM 0 HB2 ASN A 72 12.233 -1.503 4.111 1.00 4.10 H new ATOM 0 HB3 ASN A 72 10.981 -0.438 4.717 1.00 4.10 H new ATOM 0 HD21 ASN A 72 12.446 -3.497 7.080 1.00 2.14 H new ATOM 0 HD22 ASN A 72 12.835 -3.410 5.359 1.00 2.14 H new ATOM 1156 N VAL A 73 8.859 -1.192 2.012 1.00 34.02 N ATOM 1157 CA VAL A 73 8.615 -0.337 0.843 1.00 4.14 C ATOM 1158 C VAL A 73 8.483 1.118 1.317 1.00 50.10 C ATOM 1159 O VAL A 73 7.467 1.504 1.910 1.00 61.51 O ATOM 1160 CB VAL A 73 7.339 -0.772 0.020 1.00 71.30 C ATOM 1161 CG1 VAL A 73 7.152 0.113 -1.246 1.00 50.04 C ATOM 1162 CG2 VAL A 73 7.439 -2.262 -0.358 1.00 34.10 C ATOM 0 H VAL A 73 8.011 -1.512 2.480 1.00 34.02 H new ATOM 0 HA VAL A 73 9.461 -0.441 0.164 1.00 4.14 H new ATOM 0 HB VAL A 73 6.460 -0.628 0.648 1.00 71.30 H new ATOM 0 HG11 VAL A 73 6.265 -0.213 -1.790 1.00 50.04 H new ATOM 0 HG12 VAL A 73 7.033 1.154 -0.947 1.00 50.04 H new ATOM 0 HG13 VAL A 73 8.027 0.018 -1.889 1.00 50.04 H new ATOM 0 HG21 VAL A 73 6.555 -2.554 -0.925 1.00 34.10 H new ATOM 0 HG22 VAL A 73 8.330 -2.424 -0.965 1.00 34.10 H new ATOM 0 HG23 VAL A 73 7.503 -2.864 0.549 1.00 34.10 H new ATOM 1172 N THR A 74 9.543 1.903 1.076 1.00 74.52 N ATOM 1173 CA THR A 74 9.561 3.335 1.353 1.00 71.11 C ATOM 1174 C THR A 74 8.985 4.070 0.130 1.00 63.31 C ATOM 1175 O THR A 74 9.623 4.147 -0.929 1.00 55.11 O ATOM 1176 CB THR A 74 11.017 3.823 1.652 1.00 40.23 C ATOM 1177 OG1 THR A 74 11.559 3.079 2.760 1.00 51.31 O ATOM 1178 CG2 THR A 74 11.079 5.338 1.965 1.00 54.41 C ATOM 0 H THR A 74 10.416 1.553 0.680 1.00 74.52 H new ATOM 0 HA THR A 74 8.957 3.548 2.235 1.00 71.11 H new ATOM 0 HB THR A 74 11.609 3.650 0.753 1.00 40.23 H new ATOM 0 HG1 THR A 74 12.472 3.385 2.944 1.00 51.31 H new ATOM 0 HG21 THR A 74 12.111 5.626 2.165 1.00 54.41 H new ATOM 0 HG22 THR A 74 10.704 5.902 1.111 1.00 54.41 H new ATOM 0 HG23 THR A 74 10.466 5.554 2.840 1.00 54.41 H new ATOM 1186 N VAL A 75 7.752 4.547 0.282 1.00 3.42 N ATOM 1187 CA VAL A 75 7.017 5.281 -0.751 1.00 11.34 C ATOM 1188 C VAL A 75 6.795 6.728 -0.263 1.00 30.02 C ATOM 1189 O VAL A 75 6.451 6.949 0.903 1.00 42.24 O ATOM 1190 CB VAL A 75 5.651 4.549 -1.058 1.00 15.43 C ATOM 1191 CG1 VAL A 75 4.803 4.395 0.212 1.00 1.23 C ATOM 1192 CG2 VAL A 75 4.850 5.246 -2.181 1.00 41.51 C ATOM 0 H VAL A 75 7.222 4.433 1.146 1.00 3.42 H new ATOM 0 HA VAL A 75 7.586 5.311 -1.680 1.00 11.34 H new ATOM 0 HB VAL A 75 5.903 3.552 -1.419 1.00 15.43 H new ATOM 0 HG11 VAL A 75 3.870 3.888 -0.033 1.00 1.23 H new ATOM 0 HG12 VAL A 75 5.353 3.808 0.948 1.00 1.23 H new ATOM 0 HG13 VAL A 75 4.583 5.380 0.624 1.00 1.23 H new ATOM 0 HG21 VAL A 75 3.920 4.705 -2.354 1.00 41.51 H new ATOM 0 HG22 VAL A 75 4.624 6.270 -1.885 1.00 41.51 H new ATOM 0 HG23 VAL A 75 5.440 5.255 -3.097 1.00 41.51 H new ATOM 1202 N GLU A 76 7.038 7.713 -1.133 1.00 22.25 N ATOM 1203 CA GLU A 76 6.849 9.133 -0.803 1.00 34.21 C ATOM 1204 C GLU A 76 5.803 9.726 -1.755 1.00 55.42 C ATOM 1205 O GLU A 76 5.937 9.625 -2.975 1.00 11.33 O ATOM 1206 CB GLU A 76 8.195 9.889 -0.897 1.00 52.14 C ATOM 1207 CG GLU A 76 8.114 11.345 -0.424 1.00 41.01 C ATOM 1208 CD GLU A 76 9.443 12.099 -0.540 1.00 40.01 C ATOM 1209 OE1 GLU A 76 9.592 12.935 -1.455 1.00 61.24 O ATOM 1210 OE2 GLU A 76 10.351 11.851 0.274 1.00 42.40 O ATOM 0 H GLU A 76 7.370 7.552 -2.084 1.00 22.25 H new ATOM 0 HA GLU A 76 6.491 9.235 0.221 1.00 34.21 H new ATOM 0 HB2 GLU A 76 8.940 9.363 -0.301 1.00 52.14 H new ATOM 0 HB3 GLU A 76 8.542 9.870 -1.930 1.00 52.14 H new ATOM 0 HG2 GLU A 76 7.357 11.867 -1.009 1.00 41.01 H new ATOM 0 HG3 GLU A 76 7.784 11.364 0.615 1.00 41.01 H new ATOM 1217 N LEU A 77 4.741 10.302 -1.177 1.00 52.32 N ATOM 1218 CA LEU A 77 3.589 10.835 -1.917 1.00 31.31 C ATOM 1219 C LEU A 77 3.378 12.308 -1.560 1.00 55.55 C ATOM 1220 O LEU A 77 3.897 12.788 -0.551 1.00 12.22 O ATOM 1221 CB LEU A 77 2.291 10.025 -1.598 1.00 25.45 C ATOM 1222 CG LEU A 77 2.407 8.457 -1.680 1.00 21.45 C ATOM 1223 CD1 LEU A 77 2.883 7.851 -0.345 1.00 73.50 C ATOM 1224 CD2 LEU A 77 1.092 7.812 -2.132 1.00 45.22 C ATOM 0 H LEU A 77 4.656 10.413 -0.167 1.00 52.32 H new ATOM 0 HA LEU A 77 3.798 10.743 -2.983 1.00 31.31 H new ATOM 0 HB2 LEU A 77 1.960 10.291 -0.594 1.00 25.45 H new ATOM 0 HB3 LEU A 77 1.510 10.346 -2.287 1.00 25.45 H new ATOM 0 HG LEU A 77 3.162 8.237 -2.435 1.00 21.45 H new ATOM 0 HD11 LEU A 77 2.951 6.767 -0.441 1.00 73.50 H new ATOM 0 HD12 LEU A 77 3.863 8.255 -0.091 1.00 73.50 H new ATOM 0 HD13 LEU A 77 2.172 8.102 0.442 1.00 73.50 H new ATOM 0 HD21 LEU A 77 1.214 6.730 -2.176 1.00 45.22 H new ATOM 0 HD22 LEU A 77 0.302 8.060 -1.423 1.00 45.22 H new ATOM 0 HD23 LEU A 77 0.823 8.187 -3.120 1.00 45.22 H new ATOM 1236 N GLU A 78 2.632 13.021 -2.407 1.00 64.33 N ATOM 1237 CA GLU A 78 2.235 14.416 -2.145 1.00 2.54 C ATOM 1238 C GLU A 78 0.718 14.487 -1.936 1.00 61.21 C ATOM 1239 O GLU A 78 -0.051 14.441 -2.902 1.00 61.14 O ATOM 1240 CB GLU A 78 2.689 15.327 -3.315 1.00 55.12 C ATOM 1241 CG GLU A 78 4.186 15.661 -3.302 1.00 1.33 C ATOM 1242 CD GLU A 78 4.609 16.570 -4.464 1.00 11.34 C ATOM 1243 OE1 GLU A 78 4.827 17.780 -4.256 1.00 75.31 O ATOM 1244 OE2 GLU A 78 4.734 16.072 -5.593 1.00 61.20 O ATOM 0 H GLU A 78 2.284 12.653 -3.293 1.00 64.33 H new ATOM 0 HA GLU A 78 2.722 14.773 -1.238 1.00 2.54 H new ATOM 0 HB2 GLU A 78 2.445 14.838 -4.258 1.00 55.12 H new ATOM 0 HB3 GLU A 78 2.120 16.256 -3.280 1.00 55.12 H new ATOM 0 HG2 GLU A 78 4.436 16.147 -2.359 1.00 1.33 H new ATOM 0 HG3 GLU A 78 4.759 14.735 -3.345 1.00 1.33 H new ATOM 1251 N GLU A 79 0.302 14.609 -0.664 1.00 63.23 N ATOM 1252 CA GLU A 79 -1.114 14.636 -0.268 1.00 35.04 C ATOM 1253 C GLU A 79 -1.667 16.067 -0.329 1.00 52.12 C ATOM 1254 O GLU A 79 -1.400 16.890 0.553 1.00 54.45 O ATOM 1255 CB GLU A 79 -1.283 14.047 1.161 1.00 1.44 C ATOM 1256 CG GLU A 79 -0.630 12.661 1.362 1.00 11.11 C ATOM 1257 CD GLU A 79 -1.022 12.000 2.695 1.00 43.51 C ATOM 1258 OE1 GLU A 79 -2.012 11.233 2.709 1.00 12.05 O ATOM 1259 OE2 GLU A 79 -0.361 12.252 3.729 1.00 1.04 O ATOM 0 H GLU A 79 0.945 14.692 0.123 1.00 63.23 H new ATOM 0 HA GLU A 79 -1.681 14.022 -0.968 1.00 35.04 H new ATOM 0 HB2 GLU A 79 -0.855 14.744 1.881 1.00 1.44 H new ATOM 0 HB3 GLU A 79 -2.347 13.970 1.385 1.00 1.44 H new ATOM 0 HG2 GLU A 79 -0.919 12.007 0.539 1.00 11.11 H new ATOM 0 HG3 GLU A 79 0.454 12.767 1.320 1.00 11.11 H new ATOM 1266 N THR A 80 -2.454 16.345 -1.375 1.00 71.54 N ATOM 1267 CA THR A 80 -3.122 17.631 -1.556 1.00 73.11 C ATOM 1268 C THR A 80 -4.494 17.571 -0.860 1.00 43.32 C ATOM 1269 O THR A 80 -5.439 16.943 -1.354 1.00 30.25 O ATOM 1270 CB THR A 80 -3.290 17.970 -3.076 1.00 63.32 C ATOM 1271 OG1 THR A 80 -2.018 17.864 -3.741 1.00 64.32 O ATOM 1272 CG2 THR A 80 -3.867 19.378 -3.301 1.00 4.34 C ATOM 0 H THR A 80 -2.644 15.677 -2.122 1.00 71.54 H new ATOM 0 HA THR A 80 -2.515 18.420 -1.113 1.00 73.11 H new ATOM 0 HB THR A 80 -3.997 17.252 -3.492 1.00 63.32 H new ATOM 0 HG1 THR A 80 -2.127 18.075 -4.692 1.00 64.32 H new ATOM 0 HG21 THR A 80 -3.964 19.565 -4.370 1.00 4.34 H new ATOM 0 HG22 THR A 80 -4.847 19.449 -2.830 1.00 4.34 H new ATOM 0 HG23 THR A 80 -3.199 20.119 -2.862 1.00 4.34 H new ATOM 1280 N THR A 81 -4.556 18.200 0.316 1.00 64.21 N ATOM 1281 CA THR A 81 -5.750 18.249 1.165 1.00 34.10 C ATOM 1282 C THR A 81 -5.859 19.650 1.805 1.00 44.34 C ATOM 1283 O THR A 81 -4.851 20.237 2.235 1.00 23.12 O ATOM 1284 CB THR A 81 -5.712 17.111 2.248 1.00 64.02 C ATOM 1285 OG1 THR A 81 -6.893 17.157 3.067 1.00 14.02 O ATOM 1286 CG2 THR A 81 -4.448 17.173 3.136 1.00 55.30 C ATOM 0 H THR A 81 -3.761 18.700 0.714 1.00 64.21 H new ATOM 0 HA THR A 81 -6.639 18.076 0.558 1.00 34.10 H new ATOM 0 HB THR A 81 -5.679 16.165 1.708 1.00 64.02 H new ATOM 0 HG1 THR A 81 -6.786 16.551 3.830 1.00 14.02 H new ATOM 0 HG21 THR A 81 -4.476 16.364 3.865 1.00 55.30 H new ATOM 0 HG22 THR A 81 -3.560 17.069 2.513 1.00 55.30 H new ATOM 0 HG23 THR A 81 -4.416 18.130 3.657 1.00 55.30 H new ATOM 1294 N GLY A 82 -7.089 20.199 1.809 1.00 45.03 N ATOM 1295 CA GLY A 82 -7.337 21.594 2.192 1.00 44.21 C ATOM 1296 C GLY A 82 -6.875 22.575 1.112 1.00 11.21 C ATOM 1297 O GLY A 82 -6.822 23.786 1.344 1.00 53.14 O ATOM 0 H GLY A 82 -7.932 19.687 1.548 1.00 45.03 H new ATOM 0 HA2 GLY A 82 -8.402 21.735 2.379 1.00 44.21 H new ATOM 0 HA3 GLY A 82 -6.818 21.812 3.126 1.00 44.21 H new ATOM 1301 N GLY A 83 -6.569 22.026 -0.089 1.00 11.22 N ATOM 1302 CA GLY A 83 -5.984 22.784 -1.200 1.00 61.22 C ATOM 1303 C GLY A 83 -4.458 22.759 -1.198 1.00 35.41 C ATOM 1304 O GLY A 83 -3.828 22.954 -2.244 1.00 53.03 O ATOM 0 H GLY A 83 -6.725 21.042 -0.305 1.00 11.22 H new ATOM 0 HA2 GLY A 83 -6.348 22.376 -2.143 1.00 61.22 H new ATOM 0 HA3 GLY A 83 -6.325 23.818 -1.147 1.00 61.22 H new ATOM 1308 N THR A 84 -3.863 22.505 -0.021 1.00 30.41 N ATOM 1309 CA THR A 84 -2.403 22.540 0.185 1.00 14.11 C ATOM 1310 C THR A 84 -1.781 21.138 0.021 1.00 43.20 C ATOM 1311 O THR A 84 -2.303 20.156 0.552 1.00 65.42 O ATOM 1312 CB THR A 84 -2.075 23.119 1.603 1.00 5.41 C ATOM 1313 OG1 THR A 84 -2.833 22.422 2.610 1.00 53.00 O ATOM 1314 CG2 THR A 84 -2.388 24.627 1.681 1.00 3.35 C ATOM 0 H THR A 84 -4.385 22.267 0.822 1.00 30.41 H new ATOM 0 HA THR A 84 -1.968 23.189 -0.575 1.00 14.11 H new ATOM 0 HB THR A 84 -1.009 22.978 1.780 1.00 5.41 H new ATOM 0 HG1 THR A 84 -3.068 21.529 2.283 1.00 53.00 H new ATOM 0 HG21 THR A 84 -2.149 24.997 2.678 1.00 3.35 H new ATOM 0 HG22 THR A 84 -1.790 25.161 0.943 1.00 3.35 H new ATOM 0 HG23 THR A 84 -3.446 24.790 1.477 1.00 3.35 H new ATOM 1322 N THR A 85 -0.666 21.076 -0.718 1.00 50.15 N ATOM 1323 CA THR A 85 0.092 19.844 -0.964 1.00 21.12 C ATOM 1324 C THR A 85 1.134 19.626 0.161 1.00 45.31 C ATOM 1325 O THR A 85 1.955 20.509 0.436 1.00 25.33 O ATOM 1326 CB THR A 85 0.793 19.944 -2.355 1.00 74.22 C ATOM 1327 OG1 THR A 85 -0.185 20.252 -3.366 1.00 40.34 O ATOM 1328 CG2 THR A 85 1.520 18.655 -2.739 1.00 64.10 C ATOM 0 H THR A 85 -0.259 21.895 -1.169 1.00 50.15 H new ATOM 0 HA THR A 85 -0.585 18.990 -0.967 1.00 21.12 H new ATOM 0 HB THR A 85 1.539 20.736 -2.284 1.00 74.22 H new ATOM 0 HG1 THR A 85 -0.779 19.483 -3.492 1.00 40.34 H new ATOM 0 HG21 THR A 85 1.990 18.779 -3.715 1.00 64.10 H new ATOM 0 HG22 THR A 85 2.284 18.432 -1.994 1.00 64.10 H new ATOM 0 HG23 THR A 85 0.805 17.833 -2.782 1.00 64.10 H new ATOM 1336 N THR A 86 1.065 18.455 0.812 1.00 3.52 N ATOM 1337 CA THR A 86 1.962 18.058 1.907 1.00 5.33 C ATOM 1338 C THR A 86 2.689 16.766 1.508 1.00 50.45 C ATOM 1339 O THR A 86 2.049 15.726 1.311 1.00 4.32 O ATOM 1340 CB THR A 86 1.157 17.838 3.235 1.00 72.22 C ATOM 1341 OG1 THR A 86 0.465 19.048 3.581 1.00 35.21 O ATOM 1342 CG2 THR A 86 2.069 17.423 4.403 1.00 5.12 C ATOM 0 H THR A 86 0.370 17.743 0.587 1.00 3.52 H new ATOM 0 HA THR A 86 2.687 18.852 2.083 1.00 5.33 H new ATOM 0 HB THR A 86 0.448 17.028 3.061 1.00 72.22 H new ATOM 0 HG1 THR A 86 -0.040 18.911 4.410 1.00 35.21 H new ATOM 0 HG21 THR A 86 1.468 17.282 5.301 1.00 5.12 H new ATOM 0 HG22 THR A 86 2.576 16.490 4.155 1.00 5.12 H new ATOM 0 HG23 THR A 86 2.810 18.202 4.581 1.00 5.12 H new ATOM 1350 N ASN A 87 4.017 16.841 1.382 1.00 13.45 N ATOM 1351 CA ASN A 87 4.855 15.691 1.028 1.00 15.40 C ATOM 1352 C ASN A 87 5.054 14.801 2.280 1.00 45.14 C ATOM 1353 O ASN A 87 5.627 15.252 3.277 1.00 10.30 O ATOM 1354 CB ASN A 87 6.216 16.191 0.480 1.00 63.23 C ATOM 1355 CG ASN A 87 7.129 15.057 0.024 1.00 52.22 C ATOM 1356 OD1 ASN A 87 7.922 14.529 0.804 1.00 30.03 O ATOM 1357 ND2 ASN A 87 7.037 14.671 -1.245 1.00 72.23 N ATOM 0 H ASN A 87 4.543 17.703 1.523 1.00 13.45 H new ATOM 0 HA ASN A 87 4.370 15.098 0.252 1.00 15.40 H new ATOM 0 HB2 ASN A 87 6.038 16.866 -0.357 1.00 63.23 H new ATOM 0 HB3 ASN A 87 6.722 16.769 1.253 1.00 63.23 H new ATOM 0 HD21 ASN A 87 7.632 13.920 -1.594 1.00 72.23 H new ATOM 0 HD22 ASN A 87 6.371 15.126 -1.869 1.00 72.23 H new ATOM 1364 N THR A 88 4.555 13.554 2.208 1.00 4.30 N ATOM 1365 CA THR A 88 4.520 12.600 3.327 1.00 4.54 C ATOM 1366 C THR A 88 5.065 11.231 2.867 1.00 44.22 C ATOM 1367 O THR A 88 4.705 10.752 1.789 1.00 2.10 O ATOM 1368 CB THR A 88 3.049 12.436 3.833 1.00 73.12 C ATOM 1369 OG1 THR A 88 2.522 13.722 4.211 1.00 23.11 O ATOM 1370 CG2 THR A 88 2.947 11.476 5.027 1.00 35.43 C ATOM 0 H THR A 88 4.156 13.174 1.349 1.00 4.30 H new ATOM 0 HA THR A 88 5.142 12.979 4.138 1.00 4.54 H new ATOM 0 HB THR A 88 2.469 12.010 3.014 1.00 73.12 H new ATOM 0 HG1 THR A 88 1.600 13.618 4.526 1.00 23.11 H new ATOM 0 HG21 THR A 88 1.906 11.396 5.341 1.00 35.43 H new ATOM 0 HG22 THR A 88 3.315 10.492 4.735 1.00 35.43 H new ATOM 0 HG23 THR A 88 3.547 11.858 5.853 1.00 35.43 H new ATOM 1378 N THR A 89 5.938 10.615 3.684 1.00 5.15 N ATOM 1379 CA THR A 89 6.460 9.263 3.435 1.00 32.22 C ATOM 1380 C THR A 89 5.657 8.235 4.255 1.00 42.14 C ATOM 1381 O THR A 89 5.188 8.533 5.360 1.00 73.33 O ATOM 1382 CB THR A 89 7.976 9.184 3.814 1.00 1.01 C ATOM 1383 OG1 THR A 89 8.695 10.212 3.113 1.00 62.34 O ATOM 1384 CG2 THR A 89 8.608 7.820 3.488 1.00 4.42 C ATOM 0 H THR A 89 6.301 11.043 4.536 1.00 5.15 H new ATOM 0 HA THR A 89 6.356 9.036 2.374 1.00 32.22 H new ATOM 0 HB THR A 89 8.042 9.322 4.893 1.00 1.01 H new ATOM 0 HG1 THR A 89 9.645 10.166 3.350 1.00 62.34 H new ATOM 0 HG21 THR A 89 9.660 7.829 3.774 1.00 4.42 H new ATOM 0 HG22 THR A 89 8.088 7.037 4.040 1.00 4.42 H new ATOM 0 HG23 THR A 89 8.524 7.627 2.419 1.00 4.42 H new ATOM 1392 N TYR A 90 5.481 7.046 3.678 1.00 5.14 N ATOM 1393 CA TYR A 90 4.889 5.881 4.336 1.00 34.15 C ATOM 1394 C TYR A 90 5.864 4.698 4.178 1.00 24.33 C ATOM 1395 O TYR A 90 6.333 4.424 3.068 1.00 35.53 O ATOM 1396 CB TYR A 90 3.511 5.521 3.699 1.00 62.41 C ATOM 1397 CG TYR A 90 2.374 6.530 3.946 1.00 44.25 C ATOM 1398 CD1 TYR A 90 2.290 7.721 3.218 1.00 30.32 C ATOM 1399 CD2 TYR A 90 1.378 6.282 4.893 1.00 43.31 C ATOM 1400 CE1 TYR A 90 1.265 8.623 3.432 1.00 1.15 C ATOM 1401 CE2 TYR A 90 0.352 7.183 5.106 1.00 41.43 C ATOM 1402 CZ TYR A 90 0.300 8.350 4.376 1.00 41.14 C ATOM 1403 OH TYR A 90 -0.721 9.247 4.600 1.00 12.24 O ATOM 0 H TYR A 90 5.754 6.862 2.713 1.00 5.14 H new ATOM 0 HA TYR A 90 4.720 6.103 5.390 1.00 34.15 H new ATOM 0 HB2 TYR A 90 3.647 5.412 2.623 1.00 62.41 H new ATOM 0 HB3 TYR A 90 3.198 4.549 4.081 1.00 62.41 H new ATOM 0 HD1 TYR A 90 3.041 7.940 2.474 1.00 30.32 H new ATOM 0 HD2 TYR A 90 1.410 5.369 5.469 1.00 43.31 H new ATOM 0 HE1 TYR A 90 1.221 9.539 2.861 1.00 1.15 H new ATOM 0 HE2 TYR A 90 -0.408 6.972 5.844 1.00 41.43 H new ATOM 0 HH TYR A 90 -0.379 10.161 4.511 1.00 12.24 H new ATOM 1413 N GLU A 91 6.200 4.033 5.291 1.00 44.03 N ATOM 1414 CA GLU A 91 6.929 2.754 5.267 1.00 62.30 C ATOM 1415 C GLU A 91 5.913 1.621 5.412 1.00 23.43 C ATOM 1416 O GLU A 91 5.388 1.402 6.505 1.00 71.35 O ATOM 1417 CB GLU A 91 7.977 2.671 6.414 1.00 34.20 C ATOM 1418 CG GLU A 91 9.228 3.543 6.219 1.00 43.11 C ATOM 1419 CD GLU A 91 10.246 3.396 7.366 1.00 35.31 C ATOM 1420 OE1 GLU A 91 10.727 4.424 7.891 1.00 44.03 O ATOM 1421 OE2 GLU A 91 10.549 2.248 7.769 1.00 24.32 O ATOM 0 H GLU A 91 5.976 4.363 6.230 1.00 44.03 H new ATOM 0 HA GLU A 91 7.469 2.672 4.324 1.00 62.30 H new ATOM 0 HB2 GLU A 91 7.494 2.959 7.348 1.00 34.20 H new ATOM 0 HB3 GLU A 91 8.290 1.633 6.524 1.00 34.20 H new ATOM 0 HG2 GLU A 91 9.708 3.276 5.278 1.00 43.11 H new ATOM 0 HG3 GLU A 91 8.928 4.588 6.138 1.00 43.11 H new ATOM 1428 N LEU A 92 5.611 0.929 4.305 1.00 2.10 N ATOM 1429 CA LEU A 92 4.756 -0.260 4.331 1.00 20.23 C ATOM 1430 C LEU A 92 5.671 -1.472 4.514 1.00 53.35 C ATOM 1431 O LEU A 92 6.405 -1.854 3.600 1.00 41.02 O ATOM 1432 CB LEU A 92 3.887 -0.381 3.047 1.00 13.14 C ATOM 1433 CG LEU A 92 2.799 0.729 2.844 1.00 11.23 C ATOM 1434 CD1 LEU A 92 3.409 2.076 2.446 1.00 64.33 C ATOM 1435 CD2 LEU A 92 1.728 0.290 1.830 1.00 54.22 C ATOM 0 H LEU A 92 5.950 1.177 3.375 1.00 2.10 H new ATOM 0 HA LEU A 92 4.046 -0.193 5.155 1.00 20.23 H new ATOM 0 HB2 LEU A 92 4.550 -0.374 2.182 1.00 13.14 H new ATOM 0 HB3 LEU A 92 3.390 -1.351 3.059 1.00 13.14 H new ATOM 0 HG LEU A 92 2.314 0.868 3.810 1.00 11.23 H new ATOM 0 HD11 LEU A 92 2.615 2.811 2.317 1.00 64.33 H new ATOM 0 HD12 LEU A 92 4.091 2.412 3.227 1.00 64.33 H new ATOM 0 HD13 LEU A 92 3.956 1.965 1.510 1.00 64.33 H new ATOM 0 HD21 LEU A 92 0.990 1.084 1.714 1.00 54.22 H new ATOM 0 HD22 LEU A 92 2.199 0.089 0.868 1.00 54.22 H new ATOM 0 HD23 LEU A 92 1.236 -0.614 2.189 1.00 54.22 H new ATOM 1447 N ARG A 93 5.650 -2.030 5.721 1.00 2.23 N ATOM 1448 CA ARG A 93 6.571 -3.083 6.143 1.00 2.32 C ATOM 1449 C ARG A 93 5.849 -4.435 6.092 1.00 4.31 C ATOM 1450 O ARG A 93 5.103 -4.793 7.006 1.00 43.43 O ATOM 1451 CB ARG A 93 7.074 -2.731 7.569 1.00 71.01 C ATOM 1452 CG ARG A 93 8.228 -3.604 8.095 1.00 21.12 C ATOM 1453 CD ARG A 93 8.791 -3.072 9.425 1.00 2.25 C ATOM 1454 NE ARG A 93 9.238 -1.678 9.291 1.00 44.43 N ATOM 1455 CZ ARG A 93 9.483 -0.837 10.306 1.00 45.54 C ATOM 1456 NH1 ARG A 93 9.342 -1.241 11.571 1.00 24.11 N ATOM 1457 NH2 ARG A 93 9.871 0.404 10.043 1.00 23.11 N ATOM 0 H ARG A 93 4.984 -1.760 6.444 1.00 2.23 H new ATOM 0 HA ARG A 93 7.434 -3.156 5.481 1.00 2.32 H new ATOM 0 HB2 ARG A 93 7.396 -1.690 7.576 1.00 71.01 H new ATOM 0 HB3 ARG A 93 6.236 -2.810 8.262 1.00 71.01 H new ATOM 0 HG2 ARG A 93 7.876 -4.626 8.233 1.00 21.12 H new ATOM 0 HG3 ARG A 93 9.025 -3.639 7.352 1.00 21.12 H new ATOM 0 HD2 ARG A 93 8.027 -3.139 10.200 1.00 2.25 H new ATOM 0 HD3 ARG A 93 9.626 -3.696 9.745 1.00 2.25 H new ATOM 0 HE ARG A 93 9.373 -1.320 8.345 1.00 44.43 H new ATOM 0 HH11 ARG A 93 9.046 -2.196 11.771 1.00 24.11 H new ATOM 0 HH12 ARG A 93 9.531 -0.594 12.337 1.00 24.11 H new ATOM 0 HH21 ARG A 93 9.980 0.710 9.076 1.00 23.11 H new ATOM 0 HH22 ARG A 93 10.060 1.052 10.808 1.00 23.11 H new ATOM 1471 N PHE A 94 6.070 -5.162 4.992 1.00 35.33 N ATOM 1472 CA PHE A 94 5.404 -6.435 4.708 1.00 2.35 C ATOM 1473 C PHE A 94 6.216 -7.593 5.302 1.00 5.22 C ATOM 1474 O PHE A 94 7.332 -7.873 4.850 1.00 34.04 O ATOM 1475 CB PHE A 94 5.255 -6.617 3.173 1.00 55.22 C ATOM 1476 CG PHE A 94 4.428 -5.541 2.474 1.00 31.04 C ATOM 1477 CD1 PHE A 94 5.032 -4.385 1.984 1.00 72.04 C ATOM 1478 CD2 PHE A 94 3.053 -5.689 2.303 1.00 11.01 C ATOM 1479 CE1 PHE A 94 4.287 -3.415 1.344 1.00 22.25 C ATOM 1480 CE2 PHE A 94 2.309 -4.714 1.663 1.00 5.14 C ATOM 1481 CZ PHE A 94 2.925 -3.577 1.185 1.00 1.53 C ATOM 0 H PHE A 94 6.726 -4.878 4.264 1.00 35.33 H new ATOM 0 HA PHE A 94 4.413 -6.432 5.162 1.00 2.35 H new ATOM 0 HB2 PHE A 94 6.249 -6.638 2.726 1.00 55.22 H new ATOM 0 HB3 PHE A 94 4.799 -7.588 2.980 1.00 55.22 H new ATOM 0 HD1 PHE A 94 6.096 -4.246 2.106 1.00 72.04 H new ATOM 0 HD2 PHE A 94 2.562 -6.576 2.675 1.00 11.01 H new ATOM 0 HE1 PHE A 94 4.771 -2.526 0.966 1.00 22.25 H new ATOM 0 HE2 PHE A 94 1.244 -4.844 1.538 1.00 5.14 H new ATOM 0 HZ PHE A 94 2.344 -2.815 0.687 1.00 1.53 H new ATOM 1491 N GLU A 95 5.663 -8.241 6.339 1.00 40.43 N ATOM 1492 CA GLU A 95 6.278 -9.422 6.957 1.00 54.12 C ATOM 1493 C GLU A 95 5.656 -10.692 6.352 1.00 24.22 C ATOM 1494 O GLU A 95 4.425 -10.808 6.241 1.00 44.34 O ATOM 1495 CB GLU A 95 6.097 -9.400 8.496 1.00 4.15 C ATOM 1496 CG GLU A 95 6.816 -10.550 9.228 1.00 32.44 C ATOM 1497 CD GLU A 95 6.597 -10.513 10.744 1.00 62.44 C ATOM 1498 OE1 GLU A 95 7.365 -9.834 11.449 1.00 15.12 O ATOM 1499 OE2 GLU A 95 5.641 -11.146 11.232 1.00 41.21 O ATOM 0 H GLU A 95 4.782 -7.962 6.770 1.00 40.43 H new ATOM 0 HA GLU A 95 7.349 -9.414 6.753 1.00 54.12 H new ATOM 0 HB2 GLU A 95 6.467 -8.450 8.882 1.00 4.15 H new ATOM 0 HB3 GLU A 95 5.033 -9.445 8.727 1.00 4.15 H new ATOM 0 HG2 GLU A 95 6.460 -11.503 8.837 1.00 32.44 H new ATOM 0 HG3 GLU A 95 7.884 -10.498 9.018 1.00 32.44 H new ATOM 1506 N VAL A 96 6.525 -11.635 5.969 1.00 74.34 N ATOM 1507 CA VAL A 96 6.136 -12.877 5.289 1.00 34.45 C ATOM 1508 C VAL A 96 5.742 -13.965 6.296 1.00 31.34 C ATOM 1509 O VAL A 96 6.199 -13.968 7.443 1.00 72.01 O ATOM 1510 CB VAL A 96 7.285 -13.404 4.353 1.00 32.44 C ATOM 1511 CG1 VAL A 96 7.678 -12.322 3.334 1.00 52.05 C ATOM 1512 CG2 VAL A 96 8.522 -13.877 5.157 1.00 0.51 C ATOM 0 H VAL A 96 7.530 -11.556 6.124 1.00 74.34 H new ATOM 0 HA VAL A 96 5.268 -12.644 4.673 1.00 34.45 H new ATOM 0 HB VAL A 96 6.902 -14.273 3.818 1.00 32.44 H new ATOM 0 HG11 VAL A 96 8.474 -12.699 2.692 1.00 52.05 H new ATOM 0 HG12 VAL A 96 6.812 -12.064 2.725 1.00 52.05 H new ATOM 0 HG13 VAL A 96 8.027 -11.435 3.862 1.00 52.05 H new ATOM 0 HG21 VAL A 96 9.289 -14.232 4.469 1.00 0.51 H new ATOM 0 HG22 VAL A 96 8.916 -13.046 5.742 1.00 0.51 H new ATOM 0 HG23 VAL A 96 8.233 -14.687 5.827 1.00 0.51 H new ATOM 1522 N ASP A 97 4.833 -14.839 5.862 1.00 73.52 N ATOM 1523 CA ASP A 97 4.450 -16.060 6.578 1.00 51.44 C ATOM 1524 C ASP A 97 4.472 -17.208 5.566 1.00 12.30 C ATOM 1525 O ASP A 97 3.565 -17.328 4.726 1.00 51.52 O ATOM 1526 CB ASP A 97 3.052 -15.883 7.209 1.00 52.13 C ATOM 1527 CG ASP A 97 2.543 -17.130 7.952 1.00 33.12 C ATOM 1528 OD1 ASP A 97 3.046 -17.421 9.061 1.00 11.14 O ATOM 1529 OD2 ASP A 97 1.638 -17.831 7.435 1.00 60.20 O ATOM 0 H ASP A 97 4.330 -14.716 4.983 1.00 73.52 H new ATOM 0 HA ASP A 97 5.142 -16.277 7.392 1.00 51.44 H new ATOM 0 HB2 ASP A 97 3.081 -15.044 7.904 1.00 52.13 H new ATOM 0 HB3 ASP A 97 2.340 -15.623 6.425 1.00 52.13 H new ATOM 1534 N GLY A 98 5.551 -18.005 5.608 1.00 60.42 N ATOM 1535 CA GLY A 98 5.764 -19.079 4.647 1.00 44.21 C ATOM 1536 C GLY A 98 6.154 -18.531 3.282 1.00 75.20 C ATOM 1537 O GLY A 98 7.315 -18.161 3.064 1.00 63.31 O ATOM 0 H GLY A 98 6.290 -17.918 6.306 1.00 60.42 H new ATOM 0 HA2 GLY A 98 6.546 -19.745 5.011 1.00 44.21 H new ATOM 0 HA3 GLY A 98 4.855 -19.674 4.556 1.00 44.21 H new ATOM 1541 N ASP A 99 5.171 -18.454 2.375 1.00 74.31 N ATOM 1542 CA ASP A 99 5.363 -17.932 1.000 1.00 60.41 C ATOM 1543 C ASP A 99 4.479 -16.695 0.747 1.00 74.33 C ATOM 1544 O ASP A 99 4.713 -15.938 -0.199 1.00 21.01 O ATOM 1545 CB ASP A 99 5.032 -19.037 -0.044 1.00 11.43 C ATOM 1546 CG ASP A 99 5.849 -20.328 0.152 1.00 12.02 C ATOM 1547 OD1 ASP A 99 5.455 -21.172 0.989 1.00 62.30 O ATOM 1548 OD2 ASP A 99 6.883 -20.514 -0.514 1.00 2.55 O ATOM 0 H ASP A 99 4.214 -18.751 2.567 1.00 74.31 H new ATOM 0 HA ASP A 99 6.407 -17.636 0.895 1.00 60.41 H new ATOM 0 HB2 ASP A 99 3.970 -19.275 0.015 1.00 11.43 H new ATOM 0 HB3 ASP A 99 5.216 -18.648 -1.045 1.00 11.43 H new ATOM 1553 N THR A 100 3.455 -16.497 1.590 1.00 13.34 N ATOM 1554 CA THR A 100 2.468 -15.416 1.422 1.00 31.23 C ATOM 1555 C THR A 100 2.588 -14.400 2.574 1.00 30.11 C ATOM 1556 O THR A 100 2.676 -14.783 3.747 1.00 52.21 O ATOM 1557 CB THR A 100 1.019 -16.008 1.362 1.00 74.41 C ATOM 1558 OG1 THR A 100 0.935 -16.952 0.277 1.00 44.54 O ATOM 1559 CG2 THR A 100 -0.056 -14.914 1.184 1.00 45.35 C ATOM 0 H THR A 100 3.286 -17.081 2.409 1.00 13.34 H new ATOM 0 HA THR A 100 2.670 -14.900 0.483 1.00 31.23 H new ATOM 0 HB THR A 100 0.824 -16.502 2.314 1.00 74.41 H new ATOM 0 HG1 THR A 100 0.030 -17.326 0.238 1.00 44.54 H new ATOM 0 HG21 THR A 100 -1.043 -15.376 1.148 1.00 45.35 H new ATOM 0 HG22 THR A 100 -0.011 -14.219 2.023 1.00 45.35 H new ATOM 0 HG23 THR A 100 0.125 -14.373 0.255 1.00 45.35 H new ATOM 1567 N ILE A 101 2.589 -13.107 2.217 1.00 73.23 N ATOM 1568 CA ILE A 101 2.636 -11.998 3.173 1.00 64.42 C ATOM 1569 C ILE A 101 1.262 -11.869 3.866 1.00 54.31 C ATOM 1570 O ILE A 101 0.248 -11.617 3.203 1.00 75.32 O ATOM 1571 CB ILE A 101 2.991 -10.649 2.447 1.00 71.20 C ATOM 1572 CG1 ILE A 101 4.348 -10.768 1.678 1.00 21.44 C ATOM 1573 CG2 ILE A 101 3.010 -9.474 3.449 1.00 61.31 C ATOM 1574 CD1 ILE A 101 4.696 -9.576 0.793 1.00 14.41 C ATOM 0 H ILE A 101 2.557 -12.802 1.244 1.00 73.23 H new ATOM 0 HA ILE A 101 3.410 -12.203 3.913 1.00 64.42 H new ATOM 0 HB ILE A 101 2.214 -10.443 1.711 1.00 71.20 H new ATOM 0 HG12 ILE A 101 5.149 -10.907 2.404 1.00 21.44 H new ATOM 0 HG13 ILE A 101 4.320 -11.665 1.059 1.00 21.44 H new ATOM 0 HG21 ILE A 101 3.258 -8.552 2.924 1.00 61.31 H new ATOM 0 HG22 ILE A 101 2.028 -9.375 3.912 1.00 61.31 H new ATOM 0 HG23 ILE A 101 3.757 -9.665 4.219 1.00 61.31 H new ATOM 0 HD11 ILE A 101 5.653 -9.754 0.303 1.00 14.41 H new ATOM 0 HD12 ILE A 101 3.921 -9.445 0.038 1.00 14.41 H new ATOM 0 HD13 ILE A 101 4.763 -8.676 1.404 1.00 14.41 H new ATOM 1586 N ARG A 102 1.243 -12.076 5.191 1.00 42.53 N ATOM 1587 CA ARG A 102 0.011 -11.996 6.007 1.00 55.03 C ATOM 1588 C ARG A 102 -0.022 -10.710 6.846 1.00 15.52 C ATOM 1589 O ARG A 102 -1.038 -10.407 7.478 1.00 11.52 O ATOM 1590 CB ARG A 102 -0.097 -13.232 6.940 1.00 52.33 C ATOM 1591 CG ARG A 102 -0.008 -14.593 6.222 1.00 13.31 C ATOM 1592 CD ARG A 102 -1.118 -14.828 5.198 1.00 1.43 C ATOM 1593 NE ARG A 102 -1.008 -16.157 4.581 1.00 44.33 N ATOM 1594 CZ ARG A 102 -1.933 -16.724 3.802 1.00 44.30 C ATOM 1595 NH1 ARG A 102 -3.064 -16.092 3.499 1.00 14.04 N ATOM 1596 NH2 ARG A 102 -1.707 -17.926 3.305 1.00 73.42 N ATOM 0 H ARG A 102 2.078 -12.304 5.731 1.00 42.53 H new ATOM 0 HA ARG A 102 -0.839 -11.981 5.324 1.00 55.03 H new ATOM 0 HB2 ARG A 102 0.697 -13.178 7.685 1.00 52.33 H new ATOM 0 HB3 ARG A 102 -1.044 -13.182 7.478 1.00 52.33 H new ATOM 0 HG2 ARG A 102 0.957 -14.665 5.720 1.00 13.31 H new ATOM 0 HG3 ARG A 102 -0.040 -15.388 6.967 1.00 13.31 H new ATOM 0 HD2 ARG A 102 -2.089 -14.730 5.683 1.00 1.43 H new ATOM 0 HD3 ARG A 102 -1.069 -14.061 4.425 1.00 1.43 H new ATOM 0 HE ARG A 102 -0.157 -16.689 4.762 1.00 44.33 H new ATOM 0 HH11 ARG A 102 -3.238 -15.155 3.864 1.00 14.04 H new ATOM 0 HH12 ARG A 102 -3.757 -16.544 2.902 1.00 14.04 H new ATOM 0 HH21 ARG A 102 -0.835 -18.410 3.517 1.00 73.42 H new ATOM 0 HH22 ARG A 102 -2.405 -18.371 2.709 1.00 73.42 H new ATOM 1610 N ARG A 103 1.088 -9.958 6.849 1.00 11.32 N ATOM 1611 CA ARG A 103 1.271 -8.813 7.753 1.00 44.45 C ATOM 1612 C ARG A 103 1.864 -7.620 7.000 1.00 31.02 C ATOM 1613 O ARG A 103 2.758 -7.784 6.174 1.00 10.33 O ATOM 1614 CB ARG A 103 2.215 -9.239 8.915 1.00 75.34 C ATOM 1615 CG ARG A 103 2.376 -8.201 10.054 1.00 75.34 C ATOM 1616 CD ARG A 103 3.348 -8.679 11.152 1.00 71.22 C ATOM 1617 NE ARG A 103 3.337 -7.808 12.336 1.00 5.53 N ATOM 1618 CZ ARG A 103 4.247 -7.831 13.319 1.00 74.20 C ATOM 1619 NH1 ARG A 103 5.286 -8.669 13.285 1.00 11.12 N ATOM 1620 NH2 ARG A 103 4.096 -7.026 14.355 1.00 32.01 N ATOM 0 H ARG A 103 1.880 -10.125 6.229 1.00 11.32 H new ATOM 0 HA ARG A 103 0.304 -8.509 8.154 1.00 44.45 H new ATOM 0 HB2 ARG A 103 1.840 -10.168 9.344 1.00 75.34 H new ATOM 0 HB3 ARG A 103 3.200 -9.454 8.500 1.00 75.34 H new ATOM 0 HG2 ARG A 103 2.737 -7.261 9.637 1.00 75.34 H new ATOM 0 HG3 ARG A 103 1.401 -7.999 10.498 1.00 75.34 H new ATOM 0 HD2 ARG A 103 3.083 -9.694 11.450 1.00 71.22 H new ATOM 0 HD3 ARG A 103 4.358 -8.720 10.745 1.00 71.22 H new ATOM 0 HE ARG A 103 2.577 -7.133 12.415 1.00 5.53 H new ATOM 0 HH11 ARG A 103 5.399 -9.309 12.499 1.00 11.12 H new ATOM 0 HH12 ARG A 103 5.966 -8.669 14.045 1.00 11.12 H new ATOM 0 HH21 ARG A 103 3.294 -6.397 14.400 1.00 32.01 H new ATOM 0 HH22 ARG A 103 4.781 -7.033 15.111 1.00 32.01 H new ATOM 1634 N VAL A 104 1.348 -6.425 7.310 1.00 13.31 N ATOM 1635 CA VAL A 104 1.874 -5.148 6.820 1.00 45.22 C ATOM 1636 C VAL A 104 1.708 -4.078 7.916 1.00 51.42 C ATOM 1637 O VAL A 104 0.636 -3.957 8.520 1.00 54.22 O ATOM 1638 CB VAL A 104 1.175 -4.686 5.485 1.00 5.50 C ATOM 1639 CG1 VAL A 104 -0.362 -4.588 5.632 1.00 55.14 C ATOM 1640 CG2 VAL A 104 1.785 -3.359 4.959 1.00 13.01 C ATOM 0 H VAL A 104 0.538 -6.318 7.920 1.00 13.31 H new ATOM 0 HA VAL A 104 2.931 -5.283 6.589 1.00 45.22 H new ATOM 0 HB VAL A 104 1.369 -5.458 4.740 1.00 5.50 H new ATOM 0 HG11 VAL A 104 -0.798 -4.266 4.686 1.00 55.14 H new ATOM 0 HG12 VAL A 104 -0.764 -5.564 5.904 1.00 55.14 H new ATOM 0 HG13 VAL A 104 -0.608 -3.865 6.410 1.00 55.14 H new ATOM 0 HG21 VAL A 104 1.281 -3.067 4.037 1.00 13.01 H new ATOM 0 HG22 VAL A 104 1.655 -2.577 5.707 1.00 13.01 H new ATOM 0 HG23 VAL A 104 2.848 -3.500 4.763 1.00 13.01 H new ATOM 1650 N THR A 105 2.788 -3.344 8.200 1.00 5.14 N ATOM 1651 CA THR A 105 2.764 -2.193 9.098 1.00 34.11 C ATOM 1652 C THR A 105 2.973 -0.931 8.257 1.00 3.01 C ATOM 1653 O THR A 105 4.082 -0.674 7.793 1.00 42.21 O ATOM 1654 CB THR A 105 3.879 -2.335 10.189 1.00 51.32 C ATOM 1655 OG1 THR A 105 3.682 -3.561 10.910 1.00 25.31 O ATOM 1656 CG2 THR A 105 3.896 -1.161 11.182 1.00 75.31 C ATOM 0 H THR A 105 3.710 -3.536 7.808 1.00 5.14 H new ATOM 0 HA THR A 105 1.807 -2.133 9.616 1.00 34.11 H new ATOM 0 HB THR A 105 4.839 -2.335 9.672 1.00 51.32 H new ATOM 0 HG1 THR A 105 4.379 -3.655 11.593 1.00 25.31 H new ATOM 0 HG21 THR A 105 4.689 -1.315 11.914 1.00 75.31 H new ATOM 0 HG22 THR A 105 4.076 -0.231 10.643 1.00 75.31 H new ATOM 0 HG23 THR A 105 2.936 -1.104 11.694 1.00 75.31 H new ATOM 1664 N VAL A 106 1.882 -0.179 8.031 1.00 2.13 N ATOM 1665 CA VAL A 106 1.918 1.084 7.273 1.00 64.03 C ATOM 1666 C VAL A 106 2.157 2.232 8.263 1.00 33.22 C ATOM 1667 O VAL A 106 1.255 2.600 9.021 1.00 5.11 O ATOM 1668 CB VAL A 106 0.588 1.328 6.449 1.00 4.43 C ATOM 1669 CG1 VAL A 106 0.688 2.600 5.565 1.00 61.52 C ATOM 1670 CG2 VAL A 106 0.218 0.084 5.602 1.00 11.52 C ATOM 0 H VAL A 106 0.952 -0.429 8.368 1.00 2.13 H new ATOM 0 HA VAL A 106 2.726 1.033 6.544 1.00 64.03 H new ATOM 0 HB VAL A 106 -0.215 1.494 7.167 1.00 4.43 H new ATOM 0 HG11 VAL A 106 -0.243 2.735 5.015 1.00 61.52 H new ATOM 0 HG12 VAL A 106 0.865 3.470 6.198 1.00 61.52 H new ATOM 0 HG13 VAL A 106 1.513 2.490 4.861 1.00 61.52 H new ATOM 0 HG21 VAL A 106 -0.699 0.281 5.047 1.00 11.52 H new ATOM 0 HG22 VAL A 106 1.025 -0.133 4.903 1.00 11.52 H new ATOM 0 HG23 VAL A 106 0.067 -0.772 6.260 1.00 11.52 H new ATOM 1680 N THR A 107 3.384 2.757 8.278 1.00 32.11 N ATOM 1681 CA THR A 107 3.793 3.821 9.196 1.00 62.51 C ATOM 1682 C THR A 107 3.853 5.156 8.443 1.00 72.04 C ATOM 1683 O THR A 107 4.688 5.322 7.550 1.00 45.24 O ATOM 1684 CB THR A 107 5.196 3.486 9.809 1.00 74.52 C ATOM 1685 OG1 THR A 107 5.169 2.182 10.414 1.00 61.14 O ATOM 1686 CG2 THR A 107 5.644 4.517 10.858 1.00 23.43 C ATOM 0 H THR A 107 4.127 2.453 7.649 1.00 32.11 H new ATOM 0 HA THR A 107 3.065 3.899 10.004 1.00 62.51 H new ATOM 0 HB THR A 107 5.913 3.512 8.989 1.00 74.52 H new ATOM 0 HG1 THR A 107 6.050 1.979 10.793 1.00 61.14 H new ATOM 0 HG21 THR A 107 6.622 4.236 11.250 1.00 23.43 H new ATOM 0 HG22 THR A 107 5.707 5.502 10.396 1.00 23.43 H new ATOM 0 HG23 THR A 107 4.921 4.545 11.673 1.00 23.43 H new ATOM 1694 N GLN A 108 2.949 6.089 8.791 1.00 14.32 N ATOM 1695 CA GLN A 108 3.007 7.461 8.283 1.00 4.33 C ATOM 1696 C GLN A 108 4.158 8.181 9.004 1.00 33.30 C ATOM 1697 O GLN A 108 4.044 8.522 10.189 1.00 72.41 O ATOM 1698 CB GLN A 108 1.667 8.218 8.507 1.00 53.14 C ATOM 1699 CG GLN A 108 1.630 9.621 7.851 1.00 51.21 C ATOM 1700 CD GLN A 108 0.347 10.408 8.121 1.00 13.44 C ATOM 1701 OE1 GLN A 108 -0.268 10.281 9.183 1.00 4.42 O ATOM 1702 NE2 GLN A 108 -0.080 11.221 7.156 1.00 53.24 N ATOM 0 H GLN A 108 2.169 5.912 9.424 1.00 14.32 H new ATOM 0 HA GLN A 108 3.178 7.441 7.207 1.00 4.33 H new ATOM 0 HB2 GLN A 108 0.849 7.618 8.108 1.00 53.14 H new ATOM 0 HB3 GLN A 108 1.493 8.322 9.578 1.00 53.14 H new ATOM 0 HG2 GLN A 108 2.480 10.200 8.211 1.00 51.21 H new ATOM 0 HG3 GLN A 108 1.754 9.509 6.774 1.00 51.21 H new ATOM 0 HE21 GLN A 108 0.450 11.305 6.289 1.00 53.24 H new ATOM 0 HE22 GLN A 108 -0.937 11.759 7.285 1.00 53.24 H new ATOM 1711 N ASN A 109 5.275 8.343 8.293 1.00 65.13 N ATOM 1712 CA ASN A 109 6.502 8.953 8.824 1.00 65.34 C ATOM 1713 C ASN A 109 6.297 10.457 9.086 1.00 11.33 C ATOM 1714 O ASN A 109 5.772 11.180 8.224 1.00 10.41 O ATOM 1715 CB ASN A 109 7.675 8.723 7.838 1.00 41.12 C ATOM 1716 CG ASN A 109 7.974 7.237 7.616 1.00 4.53 C ATOM 1717 OD1 ASN A 109 7.433 6.604 6.707 1.00 52.34 O ATOM 1718 ND2 ASN A 109 8.824 6.662 8.455 1.00 44.24 N ATOM 0 H ASN A 109 5.357 8.051 7.319 1.00 65.13 H new ATOM 0 HA ASN A 109 6.744 8.479 9.775 1.00 65.34 H new ATOM 0 HB2 ASN A 109 7.438 9.189 6.882 1.00 41.12 H new ATOM 0 HB3 ASN A 109 8.568 9.217 8.220 1.00 41.12 H new ATOM 0 HD21 ASN A 109 9.045 5.671 8.357 1.00 44.24 H new ATOM 0 HD22 ASN A 109 9.257 7.210 9.198 1.00 44.24 H new