USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 647 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 38 LYS NZ :NH3+ -132:sc= 0.807 (180deg=-0.172) USER MOD Set 1.2: A 42 GLN : amide:sc= -0.315 X(o=0.49,f=0.066) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0504) USER MOD Single : A 13 SER OG : rot 122:sc= 1 USER MOD Single : A 32 THR OG1 : rot 13:sc= 0.723 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 63:sc= -0.253 USER MOD Single : A 39 THR OG1 : rot 180:sc= -1.1 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.0812 X(o=-0.081,f=-0.0033) USER MOD Single : A 64 GLN : amide:sc= -0.111 X(o=-0.11,f=0.33) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -1.51 X(o=-1.5,f=-1.4) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -46:sc= 1.16 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.407 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= -1.19 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot -8:sc= -0.189 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 154:sc= -0.0701 (180deg=-0.83) USER MOD ----------------------------------------------------------------- ATOM 11 N ILE A 2 2.581 -1.564 -3.173 1.00 41.31 N ATOM 12 CA ILE A 2 3.412 -2.761 -3.187 1.00 31.32 C ATOM 13 C ILE A 2 4.806 -2.457 -3.723 1.00 45.33 C ATOM 14 O ILE A 2 5.791 -3.069 -3.309 1.00 3.03 O ATOM 15 CB ILE A 2 2.778 -3.876 -4.040 1.00 23.34 C ATOM 16 CG1 ILE A 2 3.581 -5.172 -3.903 1.00 1.42 C ATOM 17 CG2 ILE A 2 2.698 -3.448 -5.497 1.00 44.42 C ATOM 18 CD1 ILE A 2 3.379 -5.870 -2.576 1.00 63.35 C ATOM 0 HA ILE A 2 3.489 -3.103 -2.155 1.00 31.32 H new ATOM 0 HB ILE A 2 1.766 -4.058 -3.679 1.00 23.34 H new ATOM 0 HG12 ILE A 2 3.300 -5.851 -4.708 1.00 1.42 H new ATOM 0 HG13 ILE A 2 4.640 -4.949 -4.029 1.00 1.42 H new ATOM 0 HG21 ILE A 2 2.248 -4.247 -6.087 1.00 44.42 H new ATOM 0 HG22 ILE A 2 2.088 -2.548 -5.579 1.00 44.42 H new ATOM 0 HG23 ILE A 2 3.701 -3.242 -5.871 1.00 44.42 H new ATOM 0 HD11 ILE A 2 3.978 -6.780 -2.549 1.00 63.35 H new ATOM 0 HD12 ILE A 2 3.687 -5.209 -1.766 1.00 63.35 H new ATOM 0 HD13 ILE A 2 2.326 -6.125 -2.455 1.00 63.35 H new ATOM 30 N THR A 3 4.884 -1.504 -4.648 1.00 22.42 N ATOM 31 CA THR A 3 6.158 -1.117 -5.241 1.00 72.20 C ATOM 32 C THR A 3 7.160 -0.703 -4.170 1.00 21.33 C ATOM 33 O THR A 3 8.371 -0.797 -4.370 1.00 43.20 O ATOM 34 CB THR A 3 5.983 0.042 -6.240 1.00 11.43 C ATOM 35 OG1 THR A 3 5.404 1.174 -5.580 1.00 72.22 O ATOM 36 CG2 THR A 3 5.102 -0.377 -7.407 1.00 15.34 C ATOM 0 H THR A 3 4.080 -0.986 -5.002 1.00 22.42 H new ATOM 0 HA THR A 3 6.538 -1.990 -5.771 1.00 72.20 H new ATOM 0 HB THR A 3 6.966 0.311 -6.627 1.00 11.43 H new ATOM 0 HG1 THR A 3 5.297 1.907 -6.221 1.00 72.22 H new ATOM 0 HG21 THR A 3 4.993 0.458 -8.099 1.00 15.34 H new ATOM 0 HG22 THR A 3 5.560 -1.220 -7.925 1.00 15.34 H new ATOM 0 HG23 THR A 3 4.120 -0.670 -7.035 1.00 15.34 H new ATOM 44 N ASP A 4 6.648 -0.247 -3.032 1.00 42.52 N ATOM 45 CA ASP A 4 7.499 0.180 -1.928 1.00 4.24 C ATOM 46 C ASP A 4 8.368 -0.973 -1.434 1.00 43.54 C ATOM 47 O ASP A 4 9.395 -0.757 -0.790 1.00 0.23 O ATOM 48 CB ASP A 4 6.647 0.721 -0.778 1.00 61.24 C ATOM 49 CG ASP A 4 6.220 2.158 -1.001 1.00 3.44 C ATOM 50 OD1 ASP A 4 6.300 2.629 -2.154 1.00 71.14 O ATOM 51 OD2 ASP A 4 5.807 2.813 -0.020 1.00 44.45 O ATOM 0 H ASP A 4 5.648 -0.164 -2.850 1.00 42.52 H new ATOM 0 HA ASP A 4 8.151 0.974 -2.291 1.00 4.24 H new ATOM 0 HB2 ASP A 4 5.762 0.096 -0.660 1.00 61.24 H new ATOM 0 HB3 ASP A 4 7.211 0.653 0.152 1.00 61.24 H new ATOM 56 N ILE A 5 7.949 -2.196 -1.741 1.00 3.32 N ATOM 57 CA ILE A 5 8.689 -3.382 -1.329 1.00 5.24 C ATOM 58 C ILE A 5 9.178 -4.173 -2.537 1.00 51.44 C ATOM 59 O ILE A 5 10.342 -4.569 -2.605 1.00 21.55 O ATOM 60 CB ILE A 5 7.830 -4.301 -0.441 1.00 22.22 C ATOM 61 CG1 ILE A 5 6.778 -3.483 0.311 1.00 63.01 C ATOM 62 CG2 ILE A 5 8.710 -5.068 0.535 1.00 11.25 C ATOM 63 CD1 ILE A 5 5.951 -4.303 1.276 1.00 23.11 C ATOM 0 H ILE A 5 7.101 -2.391 -2.273 1.00 3.32 H new ATOM 0 HA ILE A 5 9.548 -3.034 -0.755 1.00 5.24 H new ATOM 0 HB ILE A 5 7.316 -5.020 -1.079 1.00 22.22 H new ATOM 0 HG12 ILE A 5 7.275 -2.684 0.860 1.00 63.01 H new ATOM 0 HG13 ILE A 5 6.114 -3.008 -0.411 1.00 63.01 H new ATOM 0 HG21 ILE A 5 8.088 -5.713 1.156 1.00 11.25 H new ATOM 0 HG22 ILE A 5 9.424 -5.677 -0.020 1.00 11.25 H new ATOM 0 HG23 ILE A 5 9.249 -4.364 1.169 1.00 11.25 H new ATOM 0 HD11 ILE A 5 5.226 -3.658 1.773 1.00 23.11 H new ATOM 0 HD12 ILE A 5 5.425 -5.086 0.730 1.00 23.11 H new ATOM 0 HD13 ILE A 5 6.605 -4.756 2.021 1.00 23.11 H new ATOM 75 N LEU A 6 8.282 -4.397 -3.492 1.00 33.11 N ATOM 76 CA LEU A 6 8.621 -5.139 -4.701 1.00 62.30 C ATOM 77 C LEU A 6 8.947 -4.190 -5.849 1.00 43.33 C ATOM 78 O LEU A 6 8.965 -2.971 -5.675 1.00 31.44 O ATOM 79 CB LEU A 6 7.467 -6.061 -5.098 1.00 51.05 C ATOM 80 CG LEU A 6 7.578 -7.514 -4.634 1.00 54.34 C ATOM 81 CD1 LEU A 6 7.908 -7.577 -3.151 1.00 44.44 C ATOM 82 CD2 LEU A 6 6.288 -8.267 -4.927 1.00 42.15 C ATOM 0 H LEU A 6 7.315 -4.075 -3.452 1.00 33.11 H new ATOM 0 HA LEU A 6 9.504 -5.743 -4.491 1.00 62.30 H new ATOM 0 HB2 LEU A 6 6.542 -5.644 -4.701 1.00 51.05 H new ATOM 0 HB3 LEU A 6 7.380 -6.053 -6.184 1.00 51.05 H new ATOM 0 HG LEU A 6 8.388 -7.991 -5.186 1.00 54.34 H new ATOM 0 HD11 LEU A 6 7.983 -8.619 -2.839 1.00 44.44 H new ATOM 0 HD12 LEU A 6 8.858 -7.074 -2.968 1.00 44.44 H new ATOM 0 HD13 LEU A 6 7.120 -7.083 -2.582 1.00 44.44 H new ATOM 0 HD21 LEU A 6 6.385 -9.299 -4.590 1.00 42.15 H new ATOM 0 HD22 LEU A 6 5.461 -7.790 -4.401 1.00 42.15 H new ATOM 0 HD23 LEU A 6 6.093 -8.252 -5.999 1.00 42.15 H new ATOM 94 N SER A 7 9.203 -4.756 -7.024 1.00 70.03 N ATOM 95 CA SER A 7 9.530 -3.960 -8.202 1.00 31.04 C ATOM 96 C SER A 7 8.480 -4.148 -9.293 1.00 3.42 C ATOM 97 O SER A 7 8.253 -5.261 -9.765 1.00 55.24 O ATOM 98 CB SER A 7 10.911 -4.344 -8.735 1.00 43.14 C ATOM 99 OG SER A 7 11.912 -3.474 -8.234 1.00 34.52 O ATOM 0 H SER A 7 9.190 -5.763 -7.186 1.00 70.03 H new ATOM 0 HA SER A 7 9.541 -2.910 -7.910 1.00 31.04 H new ATOM 0 HB2 SER A 7 11.141 -5.371 -8.450 1.00 43.14 H new ATOM 0 HB3 SER A 7 10.906 -4.309 -9.824 1.00 43.14 H new ATOM 0 HG SER A 7 12.786 -3.742 -8.588 1.00 34.52 H new ATOM 105 N ALA A 8 7.844 -3.050 -9.688 1.00 10.21 N ATOM 106 CA ALA A 8 6.820 -3.092 -10.724 1.00 50.44 C ATOM 107 C ALA A 8 7.410 -3.528 -12.061 1.00 75.13 C ATOM 108 O ALA A 8 6.696 -4.021 -12.935 1.00 60.12 O ATOM 109 CB ALA A 8 6.150 -1.732 -10.859 1.00 71.25 C ATOM 0 H ALA A 8 8.020 -2.121 -9.306 1.00 10.21 H new ATOM 0 HA ALA A 8 6.070 -3.827 -10.430 1.00 50.44 H new ATOM 0 HB1 ALA A 8 5.387 -1.778 -11.636 1.00 71.25 H new ATOM 0 HB2 ALA A 8 5.686 -1.459 -9.911 1.00 71.25 H new ATOM 0 HB3 ALA A 8 6.896 -0.984 -11.126 1.00 71.25 H new ATOM 115 N LYS A 9 8.716 -3.343 -12.215 1.00 23.21 N ATOM 116 CA LYS A 9 9.403 -3.718 -13.445 1.00 61.12 C ATOM 117 C LYS A 9 9.829 -5.182 -13.406 1.00 74.43 C ATOM 118 O LYS A 9 10.363 -5.709 -14.382 1.00 61.51 O ATOM 119 CB LYS A 9 10.627 -2.826 -13.662 1.00 44.13 C ATOM 120 CG LYS A 9 10.977 -2.618 -15.126 1.00 14.02 C ATOM 121 CD LYS A 9 12.159 -1.678 -15.289 1.00 2.22 C ATOM 122 CE LYS A 9 12.220 -1.097 -16.693 1.00 62.23 C ATOM 123 NZ LYS A 9 12.300 -2.162 -17.731 1.00 22.42 N ATOM 0 H LYS A 9 9.321 -2.935 -11.502 1.00 23.21 H new ATOM 0 HA LYS A 9 8.709 -3.582 -14.275 1.00 61.12 H new ATOM 0 HB2 LYS A 9 10.446 -1.856 -13.199 1.00 44.13 H new ATOM 0 HB3 LYS A 9 11.483 -3.268 -13.152 1.00 44.13 H new ATOM 0 HG2 LYS A 9 11.209 -3.579 -15.585 1.00 14.02 H new ATOM 0 HG3 LYS A 9 10.113 -2.213 -15.653 1.00 14.02 H new ATOM 0 HD2 LYS A 9 12.085 -0.869 -14.562 1.00 2.22 H new ATOM 0 HD3 LYS A 9 13.084 -2.214 -15.076 1.00 2.22 H new ATOM 0 HE2 LYS A 9 11.337 -0.483 -16.870 1.00 62.23 H new ATOM 0 HE3 LYS A 9 13.087 -0.442 -16.778 1.00 62.23 H new ATOM 0 HZ1 LYS A 9 12.510 -1.732 -18.654 1.00 22.42 H new ATOM 0 HZ2 LYS A 9 13.055 -2.833 -17.482 1.00 22.42 H new ATOM 0 HZ3 LYS A 9 11.392 -2.666 -17.782 1.00 22.42 H new ATOM 137 N ASP A 10 9.587 -5.834 -12.274 1.00 52.02 N ATOM 138 CA ASP A 10 9.943 -7.239 -12.109 1.00 54.44 C ATOM 139 C ASP A 10 8.695 -8.098 -11.928 1.00 41.42 C ATOM 140 O ASP A 10 8.655 -9.250 -12.361 1.00 12.31 O ATOM 141 CB ASP A 10 10.876 -7.413 -10.910 1.00 72.12 C ATOM 142 CG ASP A 10 12.201 -6.702 -11.099 1.00 50.54 C ATOM 143 OD1 ASP A 10 12.187 -5.479 -11.355 1.00 3.15 O ATOM 144 OD2 ASP A 10 13.252 -7.367 -10.992 1.00 31.04 O ATOM 0 H ASP A 10 9.146 -5.412 -11.457 1.00 52.02 H new ATOM 0 HA ASP A 10 10.459 -7.566 -13.011 1.00 54.44 H new ATOM 0 HB2 ASP A 10 10.387 -7.031 -10.014 1.00 72.12 H new ATOM 0 HB3 ASP A 10 11.057 -8.475 -10.746 1.00 72.12 H new ATOM 149 N ILE A 11 7.680 -7.530 -11.285 1.00 43.34 N ATOM 150 CA ILE A 11 6.432 -8.244 -11.047 1.00 40.32 C ATOM 151 C ILE A 11 5.778 -8.660 -12.360 1.00 71.51 C ATOM 152 O ILE A 11 5.454 -9.831 -12.559 1.00 42.20 O ATOM 153 CB ILE A 11 5.438 -7.387 -10.241 1.00 3.21 C ATOM 154 CG1 ILE A 11 6.016 -7.058 -8.863 1.00 2.41 C ATOM 155 CG2 ILE A 11 4.106 -8.109 -10.104 1.00 1.40 C ATOM 156 CD1 ILE A 11 5.571 -5.715 -8.326 1.00 64.21 C ATOM 0 H ILE A 11 7.698 -6.578 -10.920 1.00 43.34 H new ATOM 0 HA ILE A 11 6.683 -9.134 -10.470 1.00 40.32 H new ATOM 0 HB ILE A 11 5.269 -6.453 -10.776 1.00 3.21 H new ATOM 0 HG12 ILE A 11 5.722 -7.837 -8.159 1.00 2.41 H new ATOM 0 HG13 ILE A 11 7.104 -7.075 -8.921 1.00 2.41 H new ATOM 0 HG21 ILE A 11 3.414 -7.491 -9.532 1.00 1.40 H new ATOM 0 HG22 ILE A 11 3.691 -8.297 -11.094 1.00 1.40 H new ATOM 0 HG23 ILE A 11 4.257 -9.057 -9.588 1.00 1.40 H new ATOM 0 HD11 ILE A 11 6.019 -5.548 -7.346 1.00 64.21 H new ATOM 0 HD12 ILE A 11 5.888 -4.927 -9.009 1.00 64.21 H new ATOM 0 HD13 ILE A 11 4.485 -5.701 -8.235 1.00 64.21 H new ATOM 168 N GLU A 12 5.588 -7.694 -13.253 1.00 63.34 N ATOM 169 CA GLU A 12 4.974 -7.962 -14.548 1.00 73.13 C ATOM 170 C GLU A 12 5.882 -8.832 -15.412 1.00 60.32 C ATOM 171 O GLU A 12 5.412 -9.571 -16.277 1.00 60.23 O ATOM 172 CB GLU A 12 4.666 -6.650 -15.273 1.00 3.10 C ATOM 173 CG GLU A 12 5.879 -6.025 -15.941 1.00 64.13 C ATOM 174 CD GLU A 12 5.604 -4.627 -16.460 1.00 4.13 C ATOM 175 OE1 GLU A 12 4.418 -4.289 -16.656 1.00 45.01 O ATOM 176 OE2 GLU A 12 6.576 -3.871 -16.669 1.00 0.42 O ATOM 0 H GLU A 12 5.850 -6.720 -13.104 1.00 63.34 H new ATOM 0 HA GLU A 12 4.042 -8.500 -14.374 1.00 73.13 H new ATOM 0 HB2 GLU A 12 3.900 -6.832 -16.027 1.00 3.10 H new ATOM 0 HB3 GLU A 12 4.248 -5.940 -14.560 1.00 3.10 H new ATOM 0 HG2 GLU A 12 6.703 -5.988 -15.228 1.00 64.13 H new ATOM 0 HG3 GLU A 12 6.201 -6.659 -16.768 1.00 64.13 H new ATOM 183 N SER A 13 7.186 -8.738 -15.171 1.00 72.12 N ATOM 184 CA SER A 13 8.161 -9.513 -15.929 1.00 42.34 C ATOM 185 C SER A 13 8.350 -10.897 -15.317 1.00 75.42 C ATOM 186 O SER A 13 9.172 -11.686 -15.781 1.00 22.41 O ATOM 187 CB SER A 13 9.502 -8.777 -15.977 1.00 71.24 C ATOM 188 OG SER A 13 9.329 -7.426 -16.369 1.00 33.31 O ATOM 0 H SER A 13 7.591 -8.133 -14.457 1.00 72.12 H new ATOM 0 HA SER A 13 7.783 -9.633 -16.944 1.00 42.34 H new ATOM 0 HB2 SER A 13 9.977 -8.816 -14.997 1.00 71.24 H new ATOM 0 HB3 SER A 13 10.171 -9.279 -16.676 1.00 71.24 H new ATOM 0 HG SER A 13 9.688 -6.835 -15.674 1.00 33.31 H new ATOM 194 N ALA A 14 7.581 -11.185 -14.272 1.00 55.11 N ATOM 195 CA ALA A 14 7.660 -12.474 -13.597 1.00 22.23 C ATOM 196 C ALA A 14 6.319 -13.198 -13.635 1.00 15.20 C ATOM 197 O ALA A 14 6.216 -14.358 -13.235 1.00 33.24 O ATOM 198 CB ALA A 14 8.121 -12.289 -12.159 1.00 4.03 C ATOM 0 H ALA A 14 6.896 -10.542 -13.875 1.00 55.11 H new ATOM 0 HA ALA A 14 8.389 -13.088 -14.125 1.00 22.23 H new ATOM 0 HB1 ALA A 14 8.176 -13.260 -11.667 1.00 4.03 H new ATOM 0 HB2 ALA A 14 9.106 -11.822 -12.150 1.00 4.03 H new ATOM 0 HB3 ALA A 14 7.412 -11.653 -11.629 1.00 4.03 H new ATOM 455 N THR A 32 13.717 -12.352 -11.387 1.00 30.40 N ATOM 456 CA THR A 32 12.305 -12.577 -11.106 1.00 54.24 C ATOM 457 C THR A 32 11.677 -11.360 -10.436 1.00 22.25 C ATOM 458 O THR A 32 12.332 -10.335 -10.249 1.00 4.31 O ATOM 459 CB THR A 32 12.100 -13.809 -10.205 1.00 12.34 C ATOM 460 OG1 THR A 32 13.278 -14.622 -10.211 1.00 63.13 O ATOM 461 CG2 THR A 32 10.908 -14.630 -10.673 1.00 11.12 C ATOM 0 HA THR A 32 11.816 -12.753 -12.064 1.00 54.24 H new ATOM 0 HB THR A 32 11.905 -13.461 -9.191 1.00 12.34 H new ATOM 0 HG1 THR A 32 14.017 -14.125 -10.620 1.00 63.13 H new ATOM 0 HG21 THR A 32 10.783 -15.495 -10.021 1.00 11.12 H new ATOM 0 HG22 THR A 32 10.008 -14.017 -10.638 1.00 11.12 H new ATOM 0 HG23 THR A 32 11.078 -14.968 -11.695 1.00 11.12 H new ATOM 469 N VAL A 33 10.404 -11.480 -10.074 1.00 32.52 N ATOM 470 CA VAL A 33 9.688 -10.391 -9.421 1.00 40.45 C ATOM 471 C VAL A 33 10.475 -9.850 -8.233 1.00 20.11 C ATOM 472 O VAL A 33 10.490 -8.646 -7.981 1.00 4.01 O ATOM 473 CB VAL A 33 8.297 -10.842 -8.939 1.00 74.03 C ATOM 474 CG1 VAL A 33 8.403 -12.121 -8.123 1.00 2.12 C ATOM 475 CG2 VAL A 33 7.629 -9.739 -8.133 1.00 11.35 C ATOM 0 H VAL A 33 9.847 -12.321 -10.222 1.00 32.52 H new ATOM 0 HA VAL A 33 9.568 -9.602 -10.163 1.00 40.45 H new ATOM 0 HB VAL A 33 7.678 -11.047 -9.812 1.00 74.03 H new ATOM 0 HG11 VAL A 33 7.410 -12.424 -7.791 1.00 2.12 H new ATOM 0 HG12 VAL A 33 8.837 -12.910 -8.738 1.00 2.12 H new ATOM 0 HG13 VAL A 33 9.038 -11.947 -7.255 1.00 2.12 H new ATOM 0 HG21 VAL A 33 6.647 -10.075 -7.800 1.00 11.35 H new ATOM 0 HG22 VAL A 33 8.244 -9.499 -7.265 1.00 11.35 H new ATOM 0 HG23 VAL A 33 7.517 -8.851 -8.755 1.00 11.35 H new ATOM 485 N GLY A 34 11.129 -10.750 -7.504 1.00 40.14 N ATOM 486 CA GLY A 34 11.910 -10.344 -6.351 1.00 21.24 C ATOM 487 C GLY A 34 11.385 -10.936 -5.058 1.00 21.42 C ATOM 488 O GLY A 34 12.156 -11.237 -4.145 1.00 42.43 O ATOM 0 H GLY A 34 11.131 -11.753 -7.692 1.00 40.14 H new ATOM 0 HA2 GLY A 34 12.947 -10.649 -6.492 1.00 21.24 H new ATOM 0 HA3 GLY A 34 11.905 -9.256 -6.277 1.00 21.24 H new ATOM 492 N LEU A 35 10.070 -11.104 -4.977 1.00 53.20 N ATOM 493 CA LEU A 35 9.441 -11.663 -3.785 1.00 4.30 C ATOM 494 C LEU A 35 10.131 -12.956 -3.361 1.00 51.33 C ATOM 495 O LEU A 35 10.604 -13.077 -2.231 1.00 73.43 O ATOM 496 CB LEU A 35 7.956 -11.924 -4.042 1.00 43.11 C ATOM 497 CG LEU A 35 6.989 -11.399 -2.981 1.00 12.41 C ATOM 498 CD1 LEU A 35 5.615 -12.029 -3.152 1.00 25.14 C ATOM 499 CD2 LEU A 35 7.531 -11.667 -1.585 1.00 23.42 C ATOM 0 H LEU A 35 9.418 -10.861 -5.723 1.00 53.20 H new ATOM 0 HA LEU A 35 9.541 -10.938 -2.977 1.00 4.30 H new ATOM 0 HB2 LEU A 35 7.690 -11.478 -5.000 1.00 43.11 H new ATOM 0 HB3 LEU A 35 7.808 -13.000 -4.139 1.00 43.11 H new ATOM 0 HG LEU A 35 6.890 -10.321 -3.109 1.00 12.41 H new ATOM 0 HD11 LEU A 35 4.940 -11.643 -2.388 1.00 25.14 H new ATOM 0 HD12 LEU A 35 5.223 -11.785 -4.139 1.00 25.14 H new ATOM 0 HD13 LEU A 35 5.696 -13.111 -3.052 1.00 25.14 H new ATOM 0 HD21 LEU A 35 6.829 -11.286 -0.843 1.00 23.42 H new ATOM 0 HD22 LEU A 35 7.661 -12.740 -1.445 1.00 23.42 H new ATOM 0 HD23 LEU A 35 8.492 -11.167 -1.466 1.00 23.42 H new ATOM 511 N SER A 36 10.186 -13.918 -4.276 1.00 61.24 N ATOM 512 CA SER A 36 10.817 -15.203 -3.997 1.00 74.03 C ATOM 513 C SER A 36 12.307 -15.028 -3.723 1.00 22.44 C ATOM 514 O SER A 36 12.951 -15.908 -3.150 1.00 44.45 O ATOM 515 CB SER A 36 10.612 -16.161 -5.172 1.00 71.41 C ATOM 516 OG SER A 36 9.262 -16.157 -5.604 1.00 63.43 O ATOM 0 H SER A 36 9.801 -13.832 -5.217 1.00 61.24 H new ATOM 0 HA SER A 36 10.349 -15.625 -3.108 1.00 74.03 H new ATOM 0 HB2 SER A 36 11.262 -15.873 -5.998 1.00 71.41 H new ATOM 0 HB3 SER A 36 10.900 -17.170 -4.877 1.00 71.41 H new ATOM 0 HG SER A 36 9.158 -16.776 -6.357 1.00 63.43 H new ATOM 522 N SER A 37 12.849 -13.887 -4.135 1.00 13.31 N ATOM 523 CA SER A 37 14.264 -13.597 -3.937 1.00 41.24 C ATOM 524 C SER A 37 14.452 -12.475 -2.920 1.00 61.24 C ATOM 525 O SER A 37 15.436 -11.736 -2.968 1.00 33.23 O ATOM 526 CB SER A 37 14.918 -13.211 -5.266 1.00 15.22 C ATOM 527 OG SER A 37 14.710 -11.840 -5.557 1.00 10.42 O ATOM 0 H SER A 37 12.329 -13.148 -4.608 1.00 13.31 H new ATOM 0 HA SER A 37 14.743 -14.497 -3.552 1.00 41.24 H new ATOM 0 HB2 SER A 37 15.987 -13.419 -5.223 1.00 15.22 H new ATOM 0 HB3 SER A 37 14.507 -13.823 -6.069 1.00 15.22 H new ATOM 0 HG SER A 37 15.136 -11.291 -4.866 1.00 10.42 H new ATOM 533 N LYS A 38 13.501 -12.354 -2.000 1.00 63.12 N ATOM 534 CA LYS A 38 13.560 -11.325 -0.969 1.00 40.55 C ATOM 535 C LYS A 38 13.940 -11.926 0.380 1.00 73.43 C ATOM 536 O LYS A 38 14.146 -13.135 0.497 1.00 44.23 O ATOM 537 CB LYS A 38 12.213 -10.607 -0.859 1.00 32.01 C ATOM 538 CG LYS A 38 12.041 -9.479 -1.861 1.00 55.30 C ATOM 539 CD LYS A 38 12.124 -8.118 -1.189 1.00 61.50 C ATOM 540 CE LYS A 38 12.223 -6.997 -2.212 1.00 13.24 C ATOM 541 NZ LYS A 38 12.708 -5.729 -1.599 1.00 64.22 N ATOM 0 H LYS A 38 12.680 -12.956 -1.947 1.00 63.12 H new ATOM 0 HA LYS A 38 14.327 -10.605 -1.254 1.00 40.55 H new ATOM 0 HB2 LYS A 38 11.412 -11.332 -1.000 1.00 32.01 H new ATOM 0 HB3 LYS A 38 12.106 -10.206 0.149 1.00 32.01 H new ATOM 0 HG2 LYS A 38 12.810 -9.554 -2.630 1.00 55.30 H new ATOM 0 HG3 LYS A 38 11.078 -9.580 -2.362 1.00 55.30 H new ATOM 0 HD2 LYS A 38 11.244 -7.965 -0.564 1.00 61.50 H new ATOM 0 HD3 LYS A 38 12.992 -8.089 -0.530 1.00 61.50 H new ATOM 0 HE2 LYS A 38 12.899 -7.295 -3.013 1.00 13.24 H new ATOM 0 HE3 LYS A 38 11.246 -6.831 -2.665 1.00 13.24 H new ATOM 0 HZ1 LYS A 38 12.094 -4.943 -1.895 1.00 64.22 H new ATOM 0 HZ2 LYS A 38 12.687 -5.814 -0.563 1.00 64.22 H new ATOM 0 HZ3 LYS A 38 13.682 -5.543 -1.911 1.00 64.22 H new ATOM 555 N THR A 39 14.029 -11.076 1.398 1.00 34.31 N ATOM 556 CA THR A 39 14.383 -11.524 2.739 1.00 72.21 C ATOM 557 C THR A 39 13.148 -11.968 3.514 1.00 32.14 C ATOM 558 O THR A 39 12.026 -11.540 3.241 1.00 62.33 O ATOM 559 CB THR A 39 15.101 -10.415 3.530 1.00 13.15 C ATOM 560 OG1 THR A 39 16.368 -10.889 4.000 1.00 75.50 O ATOM 561 CG2 THR A 39 14.256 -9.958 4.710 1.00 33.31 C ATOM 0 H THR A 39 13.861 -10.073 1.319 1.00 34.31 H new ATOM 0 HA THR A 39 15.058 -12.371 2.621 1.00 72.21 H new ATOM 0 HB THR A 39 15.256 -9.567 2.863 1.00 13.15 H new ATOM 0 HG1 THR A 39 16.819 -10.177 4.500 1.00 75.50 H new ATOM 0 HG21 THR A 39 14.784 -9.174 5.254 1.00 33.31 H new ATOM 0 HG22 THR A 39 13.304 -9.570 4.347 1.00 33.31 H new ATOM 0 HG23 THR A 39 14.074 -10.802 5.376 1.00 33.31 H new ATOM 569 N PRO A 40 13.355 -12.846 4.507 1.00 62.43 N ATOM 570 CA PRO A 40 12.270 -13.366 5.343 1.00 34.54 C ATOM 571 C PRO A 40 11.694 -12.303 6.273 1.00 72.53 C ATOM 572 O PRO A 40 11.946 -12.316 7.478 1.00 63.14 O ATOM 573 CB PRO A 40 12.946 -14.475 6.153 1.00 21.34 C ATOM 574 CG PRO A 40 14.385 -14.091 6.194 1.00 52.20 C ATOM 575 CD PRO A 40 14.666 -13.399 4.889 1.00 74.03 C ATOM 0 HA PRO A 40 11.425 -13.710 4.746 1.00 34.54 H new ATOM 0 HB2 PRO A 40 12.526 -14.544 7.156 1.00 21.34 H new ATOM 0 HB3 PRO A 40 12.809 -15.449 5.682 1.00 21.34 H new ATOM 0 HG2 PRO A 40 14.589 -13.431 7.037 1.00 52.20 H new ATOM 0 HG3 PRO A 40 15.020 -14.969 6.315 1.00 52.20 H new ATOM 0 HD2 PRO A 40 15.415 -12.615 5.003 1.00 74.03 H new ATOM 0 HD3 PRO A 40 15.043 -14.094 4.139 1.00 74.03 H new ATOM 583 N ASP A 41 10.919 -11.385 5.706 1.00 63.35 N ATOM 584 CA ASP A 41 10.306 -10.315 6.484 1.00 20.51 C ATOM 585 C ASP A 41 9.511 -9.375 5.584 1.00 72.34 C ATOM 586 O ASP A 41 8.498 -8.812 5.999 1.00 24.40 O ATOM 587 CB ASP A 41 11.377 -9.530 7.243 1.00 34.34 C ATOM 588 CG ASP A 41 11.143 -9.533 8.741 1.00 22.14 C ATOM 589 OD1 ASP A 41 11.181 -10.625 9.345 1.00 31.42 O ATOM 590 OD2 ASP A 41 10.922 -8.443 9.310 1.00 60.21 O ATOM 0 H ASP A 41 10.700 -11.360 4.710 1.00 63.35 H new ATOM 0 HA ASP A 41 9.621 -10.767 7.201 1.00 20.51 H new ATOM 0 HB2 ASP A 41 12.357 -9.958 7.030 1.00 34.34 H new ATOM 0 HB3 ASP A 41 11.394 -8.501 6.883 1.00 34.34 H new ATOM 595 N GLN A 42 9.977 -9.210 4.350 1.00 23.21 N ATOM 596 CA GLN A 42 9.310 -8.337 3.392 1.00 1.41 C ATOM 597 C GLN A 42 8.209 -9.085 2.648 1.00 44.04 C ATOM 598 O GLN A 42 7.294 -8.474 2.096 1.00 51.33 O ATOM 599 CB GLN A 42 10.323 -7.770 2.395 1.00 74.40 C ATOM 600 CG GLN A 42 11.433 -6.964 3.048 1.00 45.33 C ATOM 601 CD GLN A 42 12.378 -6.346 2.036 1.00 62.03 C ATOM 602 OE1 GLN A 42 12.144 -5.242 1.543 1.00 13.15 O ATOM 603 NE2 GLN A 42 13.454 -7.057 1.719 1.00 3.32 N ATOM 0 H GLN A 42 10.814 -9.669 3.991 1.00 23.21 H new ATOM 0 HA GLN A 42 8.855 -7.514 3.944 1.00 1.41 H new ATOM 0 HB2 GLN A 42 10.765 -8.592 1.832 1.00 74.40 H new ATOM 0 HB3 GLN A 42 9.800 -7.138 1.678 1.00 74.40 H new ATOM 0 HG2 GLN A 42 10.993 -6.175 3.658 1.00 45.33 H new ATOM 0 HG3 GLN A 42 11.998 -7.609 3.720 1.00 45.33 H new ATOM 0 HE21 GLN A 42 13.609 -7.968 2.152 1.00 3.32 H new ATOM 0 HE22 GLN A 42 14.125 -6.692 1.043 1.00 3.32 H new ATOM 612 N ILE A 43 8.305 -10.410 2.636 1.00 23.22 N ATOM 613 CA ILE A 43 7.317 -11.241 1.960 1.00 61.30 C ATOM 614 C ILE A 43 5.968 -11.176 2.667 1.00 74.10 C ATOM 615 O ILE A 43 4.934 -10.953 2.037 1.00 51.33 O ATOM 616 CB ILE A 43 7.774 -12.710 1.884 1.00 31.23 C ATOM 617 CG1 ILE A 43 9.185 -12.799 1.300 1.00 3.31 C ATOM 618 CG2 ILE A 43 6.797 -13.526 1.051 1.00 65.25 C ATOM 619 CD1 ILE A 43 9.773 -14.192 1.348 1.00 11.30 C ATOM 0 H ILE A 43 9.057 -10.931 3.087 1.00 23.22 H new ATOM 0 HA ILE A 43 7.214 -10.848 0.948 1.00 61.30 H new ATOM 0 HB ILE A 43 7.793 -13.122 2.893 1.00 31.23 H new ATOM 0 HG12 ILE A 43 9.163 -12.458 0.265 1.00 3.31 H new ATOM 0 HG13 ILE A 43 9.839 -12.119 1.846 1.00 3.31 H new ATOM 0 HG21 ILE A 43 7.133 -14.562 1.007 1.00 65.25 H new ATOM 0 HG22 ILE A 43 5.808 -13.485 1.507 1.00 65.25 H new ATOM 0 HG23 ILE A 43 6.749 -13.117 0.042 1.00 65.25 H new ATOM 0 HD11 ILE A 43 10.774 -14.179 0.917 1.00 11.30 H new ATOM 0 HD12 ILE A 43 9.828 -14.528 2.383 1.00 11.30 H new ATOM 0 HD13 ILE A 43 9.141 -14.873 0.778 1.00 11.30 H new ATOM 631 N LYS A 44 5.984 -11.371 3.981 1.00 5.12 N ATOM 632 CA LYS A 44 4.763 -11.331 4.777 1.00 62.53 C ATOM 633 C LYS A 44 3.968 -10.062 4.490 1.00 11.21 C ATOM 634 O LYS A 44 2.747 -10.103 4.334 1.00 3.04 O ATOM 635 CB LYS A 44 5.099 -11.410 6.268 1.00 75.32 C ATOM 636 CG LYS A 44 6.260 -10.521 6.678 1.00 71.42 C ATOM 637 CD LYS A 44 6.455 -10.518 8.185 1.00 73.22 C ATOM 638 CE LYS A 44 6.905 -11.880 8.692 1.00 53.15 C ATOM 639 NZ LYS A 44 7.160 -11.869 10.159 1.00 72.24 N ATOM 0 H LYS A 44 6.831 -11.559 4.518 1.00 5.12 H new ATOM 0 HA LYS A 44 4.152 -12.191 4.503 1.00 62.53 H new ATOM 0 HB2 LYS A 44 4.218 -11.132 6.846 1.00 75.32 H new ATOM 0 HB3 LYS A 44 5.335 -12.443 6.524 1.00 75.32 H new ATOM 0 HG2 LYS A 44 7.173 -10.866 6.193 1.00 71.42 H new ATOM 0 HG3 LYS A 44 6.080 -9.503 6.331 1.00 71.42 H new ATOM 0 HD2 LYS A 44 7.195 -9.765 8.456 1.00 73.22 H new ATOM 0 HD3 LYS A 44 5.522 -10.237 8.673 1.00 73.22 H new ATOM 0 HE2 LYS A 44 6.142 -12.624 8.462 1.00 53.15 H new ATOM 0 HE3 LYS A 44 7.812 -12.181 8.168 1.00 53.15 H new ATOM 0 HZ1 LYS A 44 7.465 -12.815 10.466 1.00 72.24 H new ATOM 0 HZ2 LYS A 44 7.906 -11.178 10.377 1.00 72.24 H new ATOM 0 HZ3 LYS A 44 6.288 -11.607 10.661 1.00 72.24 H new ATOM 653 N LYS A 45 4.667 -8.934 4.420 1.00 24.23 N ATOM 654 CA LYS A 45 4.028 -7.652 4.149 1.00 31.15 C ATOM 655 C LYS A 45 3.317 -7.673 2.800 1.00 34.13 C ATOM 656 O LYS A 45 2.301 -7.003 2.612 1.00 20.21 O ATOM 657 CB LYS A 45 5.064 -6.527 4.174 1.00 5.40 C ATOM 658 CG LYS A 45 5.135 -5.794 5.503 1.00 42.35 C ATOM 659 CD LYS A 45 4.146 -4.642 5.557 1.00 14.13 C ATOM 660 CE LYS A 45 2.777 -5.105 6.031 1.00 34.32 C ATOM 661 NZ LYS A 45 2.088 -4.063 6.842 1.00 41.13 N ATOM 0 H LYS A 45 5.678 -8.882 4.547 1.00 24.23 H new ATOM 0 HA LYS A 45 3.287 -7.472 4.928 1.00 31.15 H new ATOM 0 HB2 LYS A 45 6.045 -6.943 3.945 1.00 5.40 H new ATOM 0 HB3 LYS A 45 4.830 -5.811 3.386 1.00 5.40 H new ATOM 0 HG2 LYS A 45 4.928 -6.491 6.315 1.00 42.35 H new ATOM 0 HG3 LYS A 45 6.145 -5.415 5.657 1.00 42.35 H new ATOM 0 HD2 LYS A 45 4.522 -3.869 6.227 1.00 14.13 H new ATOM 0 HD3 LYS A 45 4.057 -4.191 4.569 1.00 14.13 H new ATOM 0 HE2 LYS A 45 2.161 -5.360 5.168 1.00 34.32 H new ATOM 0 HE3 LYS A 45 2.886 -6.013 6.624 1.00 34.32 H new ATOM 0 HZ1 LYS A 45 1.159 -4.418 7.146 1.00 41.13 H new ATOM 0 HZ2 LYS A 45 2.663 -3.838 7.679 1.00 41.13 H new ATOM 0 HZ3 LYS A 45 1.961 -3.205 6.269 1.00 41.13 H new ATOM 675 N VAL A 46 3.856 -8.448 1.864 1.00 13.31 N ATOM 676 CA VAL A 46 3.271 -8.558 0.533 1.00 11.01 C ATOM 677 C VAL A 46 2.017 -9.425 0.554 1.00 61.12 C ATOM 678 O VAL A 46 1.178 -9.344 -0.344 1.00 24.21 O ATOM 679 CB VAL A 46 4.275 -9.150 -0.474 1.00 32.23 C ATOM 680 CG1 VAL A 46 3.637 -9.284 -1.848 1.00 42.53 C ATOM 681 CG2 VAL A 46 5.530 -8.294 -0.540 1.00 42.21 C ATOM 0 H VAL A 46 4.697 -9.009 2.003 1.00 13.31 H new ATOM 0 HA VAL A 46 3.006 -7.548 0.219 1.00 11.01 H new ATOM 0 HB VAL A 46 4.560 -10.146 -0.134 1.00 32.23 H new ATOM 0 HG11 VAL A 46 4.361 -9.704 -2.546 1.00 42.53 H new ATOM 0 HG12 VAL A 46 2.771 -9.942 -1.784 1.00 42.53 H new ATOM 0 HG13 VAL A 46 3.321 -8.302 -2.200 1.00 42.53 H new ATOM 0 HG21 VAL A 46 6.228 -8.727 -1.256 1.00 42.21 H new ATOM 0 HG22 VAL A 46 5.266 -7.285 -0.855 1.00 42.21 H new ATOM 0 HG23 VAL A 46 5.997 -8.256 0.444 1.00 42.21 H new ATOM 691 N PHE A 47 1.895 -10.255 1.585 1.00 42.24 N ATOM 692 CA PHE A 47 0.743 -11.138 1.723 1.00 64.42 C ATOM 693 C PHE A 47 -0.433 -10.404 2.360 1.00 45.53 C ATOM 694 O PHE A 47 -1.588 -10.788 2.184 1.00 22.44 O ATOM 695 CB PHE A 47 1.111 -12.362 2.564 1.00 33.34 C ATOM 696 CG PHE A 47 0.000 -12.828 3.462 1.00 2.43 C ATOM 697 CD1 PHE A 47 -1.023 -13.620 2.967 1.00 23.31 C ATOM 698 CD2 PHE A 47 -0.021 -12.473 4.801 1.00 4.24 C ATOM 699 CE1 PHE A 47 -2.046 -14.049 3.791 1.00 31.11 C ATOM 700 CE2 PHE A 47 -1.041 -12.899 5.630 1.00 32.04 C ATOM 701 CZ PHE A 47 -2.055 -13.689 5.125 1.00 62.14 C ATOM 0 H PHE A 47 2.580 -10.334 2.337 1.00 42.24 H new ATOM 0 HA PHE A 47 0.446 -11.465 0.727 1.00 64.42 H new ATOM 0 HB2 PHE A 47 1.396 -13.177 1.899 1.00 33.34 H new ATOM 0 HB3 PHE A 47 1.984 -12.126 3.172 1.00 33.34 H new ATOM 0 HD1 PHE A 47 -1.021 -13.905 1.925 1.00 23.31 H new ATOM 0 HD2 PHE A 47 0.770 -11.856 5.202 1.00 4.24 H new ATOM 0 HE1 PHE A 47 -2.838 -14.665 3.392 1.00 31.11 H new ATOM 0 HE2 PHE A 47 -1.045 -12.614 6.672 1.00 32.04 H new ATOM 0 HZ PHE A 47 -2.853 -14.024 5.771 1.00 62.14 H new ATOM 711 N GLY A 48 -0.128 -9.342 3.101 1.00 33.51 N ATOM 712 CA GLY A 48 -1.169 -8.570 3.754 1.00 74.51 C ATOM 713 C GLY A 48 -2.023 -7.798 2.768 1.00 43.31 C ATOM 714 O GLY A 48 -3.046 -7.222 3.140 1.00 4.13 O ATOM 0 H GLY A 48 0.821 -9.003 3.260 1.00 33.51 H new ATOM 0 HA2 GLY A 48 -1.804 -9.240 4.334 1.00 74.51 H new ATOM 0 HA3 GLY A 48 -0.713 -7.874 4.458 1.00 74.51 H new ATOM 718 N ILE A 49 -1.602 -7.783 1.508 1.00 64.12 N ATOM 719 CA ILE A 49 -2.335 -7.074 0.466 1.00 24.51 C ATOM 720 C ILE A 49 -3.296 -8.008 -0.262 1.00 64.10 C ATOM 721 O ILE A 49 -4.169 -7.561 -1.006 1.00 51.53 O ATOM 722 CB ILE A 49 -1.379 -6.437 -0.560 1.00 73.22 C ATOM 723 CG1 ILE A 49 -0.277 -5.653 0.155 1.00 70.13 C ATOM 724 CG2 ILE A 49 -2.150 -5.532 -1.510 1.00 63.21 C ATOM 725 CD1 ILE A 49 0.794 -5.130 -0.777 1.00 21.52 C ATOM 0 H ILE A 49 -0.757 -8.254 1.184 1.00 64.12 H new ATOM 0 HA ILE A 49 -2.903 -6.285 0.960 1.00 24.51 H new ATOM 0 HB ILE A 49 -0.913 -7.231 -1.143 1.00 73.22 H new ATOM 0 HG12 ILE A 49 -0.726 -4.814 0.687 1.00 70.13 H new ATOM 0 HG13 ILE A 49 0.186 -6.295 0.904 1.00 70.13 H new ATOM 0 HG21 ILE A 49 -1.461 -5.089 -2.229 1.00 63.21 H new ATOM 0 HG22 ILE A 49 -2.902 -6.117 -2.040 1.00 63.21 H new ATOM 0 HG23 ILE A 49 -2.640 -4.741 -0.942 1.00 63.21 H new ATOM 0 HD11 ILE A 49 1.542 -4.585 -0.202 1.00 21.52 H new ATOM 0 HD12 ILE A 49 1.269 -5.966 -1.290 1.00 21.52 H new ATOM 0 HD13 ILE A 49 0.343 -4.462 -1.511 1.00 21.52 H new ATOM 737 N LEU A 50 -3.130 -9.308 -0.041 1.00 52.55 N ATOM 738 CA LEU A 50 -3.984 -10.306 -0.675 1.00 55.01 C ATOM 739 C LEU A 50 -5.254 -10.532 0.139 1.00 31.25 C ATOM 740 O LEU A 50 -6.363 -10.470 -0.391 1.00 53.10 O ATOM 741 CB LEU A 50 -3.227 -11.625 -0.837 1.00 60.11 C ATOM 742 CG LEU A 50 -1.707 -11.515 -0.959 1.00 63.41 C ATOM 743 CD1 LEU A 50 -1.084 -12.893 -1.124 1.00 3.04 C ATOM 744 CD2 LEU A 50 -1.329 -10.614 -2.126 1.00 22.43 C ATOM 0 H LEU A 50 -2.412 -9.695 0.572 1.00 52.55 H new ATOM 0 HA LEU A 50 -4.267 -9.933 -1.660 1.00 55.01 H new ATOM 0 HB2 LEU A 50 -3.458 -12.261 0.018 1.00 60.11 H new ATOM 0 HB3 LEU A 50 -3.607 -12.133 -1.724 1.00 60.11 H new ATOM 0 HG LEU A 50 -1.319 -11.070 -0.042 1.00 63.41 H new ATOM 0 HD11 LEU A 50 -0.002 -12.795 -1.209 1.00 3.04 H new ATOM 0 HD12 LEU A 50 -1.326 -13.508 -0.257 1.00 3.04 H new ATOM 0 HD13 LEU A 50 -1.478 -13.365 -2.024 1.00 3.04 H new ATOM 0 HD21 LEU A 50 -0.243 -10.547 -2.197 1.00 22.43 H new ATOM 0 HD22 LEU A 50 -1.729 -11.030 -3.051 1.00 22.43 H new ATOM 0 HD23 LEU A 50 -1.744 -9.619 -1.966 1.00 22.43 H new ATOM 756 N ASP A 51 -5.083 -10.793 1.431 1.00 55.11 N ATOM 757 CA ASP A 51 -6.216 -11.025 2.320 1.00 23.01 C ATOM 758 C ASP A 51 -7.367 -10.078 1.993 1.00 25.51 C ATOM 759 O ASP A 51 -7.168 -8.873 1.847 1.00 44.15 O ATOM 760 CB ASP A 51 -5.791 -10.847 3.779 1.00 51.24 C ATOM 761 CG ASP A 51 -4.656 -11.773 4.169 1.00 73.45 C ATOM 762 OD1 ASP A 51 -3.529 -11.571 3.672 1.00 24.21 O ATOM 763 OD2 ASP A 51 -4.896 -12.701 4.969 1.00 31.45 O ATOM 0 H ASP A 51 -4.172 -10.849 1.885 1.00 55.11 H new ATOM 0 HA ASP A 51 -6.559 -12.049 2.172 1.00 23.01 H new ATOM 0 HB2 ASP A 51 -5.485 -9.814 3.942 1.00 51.24 H new ATOM 0 HB3 ASP A 51 -6.646 -11.032 4.429 1.00 51.24 H new ATOM 768 N GLN A 52 -8.569 -10.634 1.879 1.00 3.34 N ATOM 769 CA GLN A 52 -9.750 -9.839 1.568 1.00 55.42 C ATOM 770 C GLN A 52 -9.816 -8.593 2.446 1.00 64.23 C ATOM 771 O GLN A 52 -10.058 -7.489 1.957 1.00 33.43 O ATOM 772 CB GLN A 52 -11.018 -10.675 1.754 1.00 64.01 C ATOM 773 CG GLN A 52 -11.020 -11.500 3.031 1.00 51.30 C ATOM 774 CD GLN A 52 -12.110 -11.078 3.996 1.00 55.10 C ATOM 775 OE1 GLN A 52 -11.843 -10.774 5.159 1.00 61.40 O ATOM 776 NE2 GLN A 52 -13.349 -11.056 3.518 1.00 60.35 N ATOM 0 H GLN A 52 -8.750 -11.631 1.997 1.00 3.34 H new ATOM 0 HA GLN A 52 -9.680 -9.524 0.527 1.00 55.42 H new ATOM 0 HB2 GLN A 52 -11.883 -10.012 1.758 1.00 64.01 H new ATOM 0 HB3 GLN A 52 -11.132 -11.342 0.900 1.00 64.01 H new ATOM 0 HG2 GLN A 52 -11.150 -12.552 2.779 1.00 51.30 H new ATOM 0 HG3 GLN A 52 -10.051 -11.407 3.521 1.00 51.30 H new ATOM 0 HE21 GLN A 52 -13.526 -11.316 2.548 1.00 60.35 H new ATOM 0 HE22 GLN A 52 -14.124 -10.779 4.121 1.00 60.35 H new ATOM 837 N PHE A 57 -6.306 -15.129 7.944 1.00 11.32 N ATOM 838 CA PHE A 57 -5.802 -16.103 6.984 1.00 23.50 C ATOM 839 C PHE A 57 -6.535 -15.984 5.651 1.00 34.24 C ATOM 840 O PHE A 57 -7.517 -15.250 5.535 1.00 32.11 O ATOM 841 CB PHE A 57 -5.954 -17.522 7.538 1.00 45.25 C ATOM 842 CG PHE A 57 -5.124 -17.779 8.763 1.00 14.13 C ATOM 843 CD1 PHE A 57 -3.827 -18.253 8.652 1.00 53.15 C ATOM 844 CD2 PHE A 57 -5.643 -17.547 10.027 1.00 25.13 C ATOM 845 CE1 PHE A 57 -3.061 -18.490 9.777 1.00 34.25 C ATOM 846 CE2 PHE A 57 -4.881 -17.782 11.157 1.00 73.23 C ATOM 847 CZ PHE A 57 -3.590 -18.255 11.032 1.00 63.43 C ATOM 0 HA PHE A 57 -4.745 -15.897 6.816 1.00 23.50 H new ATOM 0 HB2 PHE A 57 -7.003 -17.700 7.775 1.00 45.25 H new ATOM 0 HB3 PHE A 57 -5.676 -18.237 6.764 1.00 45.25 H new ATOM 0 HD1 PHE A 57 -3.409 -18.440 7.674 1.00 53.15 H new ATOM 0 HD2 PHE A 57 -6.653 -17.179 10.131 1.00 25.13 H new ATOM 0 HE1 PHE A 57 -2.051 -18.858 9.676 1.00 34.25 H new ATOM 0 HE2 PHE A 57 -5.296 -17.596 12.137 1.00 73.23 H new ATOM 0 HZ PHE A 57 -2.994 -18.441 11.914 1.00 63.43 H new ATOM 857 N ILE A 58 -6.052 -16.710 4.649 1.00 25.34 N ATOM 858 CA ILE A 58 -6.661 -16.687 3.326 1.00 40.44 C ATOM 859 C ILE A 58 -7.068 -18.088 2.883 1.00 50.24 C ATOM 860 O ILE A 58 -6.218 -18.943 2.637 1.00 2.23 O ATOM 861 CB ILE A 58 -5.706 -16.086 2.277 1.00 52.00 C ATOM 862 CG1 ILE A 58 -5.614 -14.568 2.449 1.00 20.42 C ATOM 863 CG2 ILE A 58 -6.173 -16.438 0.872 1.00 12.34 C ATOM 864 CD1 ILE A 58 -4.538 -13.928 1.600 1.00 21.35 C ATOM 0 H ILE A 58 -5.240 -17.322 4.729 1.00 25.34 H new ATOM 0 HA ILE A 58 -7.549 -16.060 3.399 1.00 40.44 H new ATOM 0 HB ILE A 58 -4.713 -16.510 2.426 1.00 52.00 H new ATOM 0 HG12 ILE A 58 -6.577 -14.123 2.197 1.00 20.42 H new ATOM 0 HG13 ILE A 58 -5.422 -14.340 3.497 1.00 20.42 H new ATOM 0 HG21 ILE A 58 -5.488 -16.006 0.142 1.00 12.34 H new ATOM 0 HG22 ILE A 58 -6.192 -17.522 0.756 1.00 12.34 H new ATOM 0 HG23 ILE A 58 -7.174 -16.039 0.711 1.00 12.34 H new ATOM 0 HD11 ILE A 58 -4.530 -12.852 1.773 1.00 21.35 H new ATOM 0 HD12 ILE A 58 -3.567 -14.346 1.867 1.00 21.35 H new ATOM 0 HD13 ILE A 58 -4.740 -14.125 0.547 1.00 21.35 H new ATOM 876 N GLU A 59 -8.374 -18.314 2.781 1.00 70.51 N ATOM 877 CA GLU A 59 -8.893 -19.612 2.366 1.00 34.31 C ATOM 878 C GLU A 59 -8.893 -19.738 0.845 1.00 3.22 C ATOM 879 O GLU A 59 -8.678 -18.758 0.132 1.00 34.20 O ATOM 880 CB GLU A 59 -10.311 -19.815 2.905 1.00 71.12 C ATOM 881 CG GLU A 59 -10.472 -19.412 4.361 1.00 31.41 C ATOM 882 CD GLU A 59 -10.933 -17.977 4.522 1.00 41.21 C ATOM 883 OE1 GLU A 59 -11.919 -17.593 3.858 1.00 30.13 O ATOM 884 OE2 GLU A 59 -10.308 -17.237 5.310 1.00 31.23 O ATOM 0 H GLU A 59 -9.091 -17.616 2.980 1.00 70.51 H new ATOM 0 HA GLU A 59 -8.241 -20.383 2.777 1.00 34.31 H new ATOM 0 HB2 GLU A 59 -11.008 -19.237 2.298 1.00 71.12 H new ATOM 0 HB3 GLU A 59 -10.586 -20.864 2.795 1.00 71.12 H new ATOM 0 HG2 GLU A 59 -11.191 -20.076 4.841 1.00 31.41 H new ATOM 0 HG3 GLU A 59 -9.522 -19.544 4.878 1.00 31.41 H new ATOM 891 N GLU A 60 -9.133 -20.951 0.357 1.00 15.32 N ATOM 892 CA GLU A 60 -9.159 -21.204 -1.079 1.00 31.45 C ATOM 893 C GLU A 60 -10.068 -20.207 -1.791 1.00 44.32 C ATOM 894 O GLU A 60 -9.872 -19.904 -2.968 1.00 25.52 O ATOM 895 CB GLU A 60 -9.633 -22.632 -1.358 1.00 62.22 C ATOM 896 CG GLU A 60 -9.435 -23.068 -2.800 1.00 44.33 C ATOM 897 CD GLU A 60 -10.682 -22.882 -3.642 1.00 60.34 C ATOM 898 OE1 GLU A 60 -11.785 -23.191 -3.146 1.00 12.03 O ATOM 899 OE2 GLU A 60 -10.554 -22.428 -4.799 1.00 12.02 O ATOM 0 H GLU A 60 -9.312 -21.773 0.934 1.00 15.32 H new ATOM 0 HA GLU A 60 -8.146 -21.083 -1.462 1.00 31.45 H new ATOM 0 HB2 GLU A 60 -9.097 -23.318 -0.703 1.00 62.22 H new ATOM 0 HB3 GLU A 60 -10.690 -22.711 -1.105 1.00 62.22 H new ATOM 0 HG2 GLU A 60 -8.616 -22.498 -3.239 1.00 44.33 H new ATOM 0 HG3 GLU A 60 -9.140 -24.117 -2.821 1.00 44.33 H new ATOM 906 N GLU A 61 -11.062 -19.700 -1.069 1.00 1.11 N ATOM 907 CA GLU A 61 -12.001 -18.738 -1.633 1.00 14.44 C ATOM 908 C GLU A 61 -11.293 -17.437 -2.000 1.00 40.03 C ATOM 909 O GLU A 61 -11.478 -16.906 -3.095 1.00 14.34 O ATOM 910 CB GLU A 61 -13.131 -18.453 -0.641 1.00 31.13 C ATOM 911 CG GLU A 61 -14.081 -19.623 -0.448 1.00 21.32 C ATOM 912 CD GLU A 61 -15.234 -19.292 0.479 1.00 12.02 C ATOM 913 OE1 GLU A 61 -16.253 -18.759 -0.008 1.00 31.15 O ATOM 914 OE2 GLU A 61 -15.117 -19.566 1.692 1.00 33.30 O ATOM 0 H GLU A 61 -11.238 -19.939 -0.093 1.00 1.11 H new ATOM 0 HA GLU A 61 -12.423 -19.171 -2.540 1.00 14.44 H new ATOM 0 HB2 GLU A 61 -12.698 -18.185 0.323 1.00 31.13 H new ATOM 0 HB3 GLU A 61 -13.698 -17.589 -0.987 1.00 31.13 H new ATOM 0 HG2 GLU A 61 -14.475 -19.930 -1.417 1.00 21.32 H new ATOM 0 HG3 GLU A 61 -13.529 -20.472 -0.046 1.00 21.32 H new ATOM 921 N GLU A 62 -10.482 -16.930 -1.077 1.00 64.41 N ATOM 922 CA GLU A 62 -9.747 -15.691 -1.304 1.00 22.53 C ATOM 923 C GLU A 62 -8.406 -15.970 -1.978 1.00 12.53 C ATOM 924 O GLU A 62 -7.684 -15.045 -2.354 1.00 23.44 O ATOM 925 CB GLU A 62 -9.522 -14.956 0.019 1.00 32.33 C ATOM 926 CG GLU A 62 -10.396 -13.725 0.187 1.00 12.13 C ATOM 927 CD GLU A 62 -11.787 -14.061 0.689 1.00 52.20 C ATOM 928 OE1 GLU A 62 -11.895 -14.741 1.731 1.00 42.24 O ATOM 929 OE2 GLU A 62 -12.769 -13.643 0.039 1.00 5.11 O ATOM 0 H GLU A 62 -10.317 -17.358 -0.166 1.00 64.41 H new ATOM 0 HA GLU A 62 -10.342 -15.061 -1.965 1.00 22.53 H new ATOM 0 HB2 GLU A 62 -9.714 -15.643 0.844 1.00 32.33 H new ATOM 0 HB3 GLU A 62 -8.475 -14.660 0.087 1.00 32.33 H new ATOM 0 HG2 GLU A 62 -9.918 -13.037 0.885 1.00 12.13 H new ATOM 0 HG3 GLU A 62 -10.474 -13.206 -0.768 1.00 12.13 H new ATOM 936 N LEU A 63 -8.080 -17.249 -2.127 1.00 1.44 N ATOM 937 CA LEU A 63 -6.826 -17.650 -2.755 1.00 21.13 C ATOM 938 C LEU A 63 -6.919 -17.545 -4.273 1.00 54.25 C ATOM 939 O LEU A 63 -5.910 -17.368 -4.956 1.00 34.44 O ATOM 940 CB LEU A 63 -6.467 -19.082 -2.352 1.00 43.44 C ATOM 941 CG LEU A 63 -4.977 -19.428 -2.363 1.00 14.03 C ATOM 942 CD1 LEU A 63 -4.237 -18.631 -1.300 1.00 44.35 C ATOM 943 CD2 LEU A 63 -4.776 -20.921 -2.149 1.00 24.12 C ATOM 0 H LEU A 63 -8.666 -18.026 -1.822 1.00 1.44 H new ATOM 0 HA LEU A 63 -6.043 -16.974 -2.410 1.00 21.13 H new ATOM 0 HB2 LEU A 63 -6.855 -19.264 -1.350 1.00 43.44 H new ATOM 0 HB3 LEU A 63 -6.984 -19.768 -3.023 1.00 43.44 H new ATOM 0 HG LEU A 63 -4.568 -19.162 -3.338 1.00 14.03 H new ATOM 0 HD11 LEU A 63 -3.178 -18.890 -1.322 1.00 44.35 H new ATOM 0 HD12 LEU A 63 -4.354 -17.565 -1.497 1.00 44.35 H new ATOM 0 HD13 LEU A 63 -4.647 -18.866 -0.318 1.00 44.35 H new ATOM 0 HD21 LEU A 63 -3.710 -21.150 -2.160 1.00 24.12 H new ATOM 0 HD22 LEU A 63 -5.200 -21.211 -1.188 1.00 24.12 H new ATOM 0 HD23 LEU A 63 -5.274 -21.473 -2.946 1.00 24.12 H new ATOM 955 N GLN A 64 -8.137 -17.652 -4.795 1.00 71.21 N ATOM 956 CA GLN A 64 -8.362 -17.567 -6.233 1.00 63.53 C ATOM 957 C GLN A 64 -8.109 -16.152 -6.741 1.00 40.22 C ATOM 958 O GLN A 64 -8.178 -15.890 -7.943 1.00 61.40 O ATOM 959 CB GLN A 64 -9.790 -17.997 -6.574 1.00 2.10 C ATOM 960 CG GLN A 64 -10.838 -16.950 -6.233 1.00 43.31 C ATOM 961 CD GLN A 64 -12.253 -17.457 -6.425 1.00 14.31 C ATOM 962 OE1 GLN A 64 -13.098 -17.325 -5.538 1.00 42.14 O ATOM 963 NE2 GLN A 64 -12.521 -18.041 -7.587 1.00 40.31 N ATOM 0 H GLN A 64 -8.983 -17.798 -4.244 1.00 71.21 H new ATOM 0 HA GLN A 64 -7.660 -18.241 -6.725 1.00 63.53 H new ATOM 0 HB2 GLN A 64 -9.848 -18.224 -7.639 1.00 2.10 H new ATOM 0 HB3 GLN A 64 -10.021 -18.918 -6.039 1.00 2.10 H new ATOM 0 HG2 GLN A 64 -10.707 -16.634 -5.198 1.00 43.31 H new ATOM 0 HG3 GLN A 64 -10.684 -16.070 -6.857 1.00 43.31 H new ATOM 0 HE21 GLN A 64 -11.791 -18.129 -8.294 1.00 40.31 H new ATOM 0 HE22 GLN A 64 -13.457 -18.401 -7.773 1.00 40.31 H new ATOM 972 N LEU A 65 -7.817 -15.241 -5.819 1.00 64.32 N ATOM 973 CA LEU A 65 -7.554 -13.851 -6.173 1.00 44.24 C ATOM 974 C LEU A 65 -6.060 -13.547 -6.115 1.00 20.12 C ATOM 975 O LEU A 65 -5.653 -12.386 -6.081 1.00 2.41 O ATOM 976 CB LEU A 65 -8.314 -12.912 -5.235 1.00 23.24 C ATOM 977 CG LEU A 65 -9.745 -13.324 -4.889 1.00 11.34 C ATOM 978 CD1 LEU A 65 -10.251 -12.539 -3.688 1.00 42.21 C ATOM 979 CD2 LEU A 65 -10.663 -13.121 -6.086 1.00 5.24 C ATOM 0 H LEU A 65 -7.756 -15.440 -4.820 1.00 64.32 H new ATOM 0 HA LEU A 65 -7.899 -13.691 -7.195 1.00 44.24 H new ATOM 0 HB2 LEU A 65 -7.749 -12.822 -4.307 1.00 23.24 H new ATOM 0 HB3 LEU A 65 -8.342 -11.921 -5.689 1.00 23.24 H new ATOM 0 HG LEU A 65 -9.745 -14.383 -4.632 1.00 11.34 H new ATOM 0 HD11 LEU A 65 -11.271 -12.846 -3.456 1.00 42.21 H new ATOM 0 HD12 LEU A 65 -9.609 -12.735 -2.829 1.00 42.21 H new ATOM 0 HD13 LEU A 65 -10.236 -11.473 -3.917 1.00 42.21 H new ATOM 0 HD21 LEU A 65 -11.677 -13.419 -5.821 1.00 5.24 H new ATOM 0 HD22 LEU A 65 -10.658 -12.070 -6.375 1.00 5.24 H new ATOM 0 HD23 LEU A 65 -10.312 -13.728 -6.921 1.00 5.24 H new ATOM 991 N PHE A 66 -5.248 -14.599 -6.105 1.00 45.34 N ATOM 992 CA PHE A 66 -3.798 -14.445 -6.052 1.00 54.34 C ATOM 993 C PHE A 66 -3.277 -13.769 -7.317 1.00 64.23 C ATOM 994 O PHE A 66 -2.214 -13.147 -7.309 1.00 42.32 O ATOM 995 CB PHE A 66 -3.126 -15.807 -5.874 1.00 23.32 C ATOM 996 CG PHE A 66 -1.626 -15.737 -5.849 1.00 4.43 C ATOM 997 CD1 PHE A 66 -0.955 -15.377 -4.691 1.00 30.12 C ATOM 998 CD2 PHE A 66 -0.886 -16.029 -6.983 1.00 70.03 C ATOM 999 CE1 PHE A 66 0.425 -15.311 -4.664 1.00 64.41 C ATOM 1000 CE2 PHE A 66 0.494 -15.965 -6.963 1.00 24.54 C ATOM 1001 CZ PHE A 66 1.151 -15.605 -5.802 1.00 31.00 C ATOM 0 H PHE A 66 -5.569 -15.567 -6.133 1.00 45.34 H new ATOM 0 HA PHE A 66 -3.555 -13.814 -5.197 1.00 54.34 H new ATOM 0 HB2 PHE A 66 -3.476 -16.257 -4.945 1.00 23.32 H new ATOM 0 HB3 PHE A 66 -3.437 -16.466 -6.685 1.00 23.32 H new ATOM 0 HD1 PHE A 66 -1.518 -15.145 -3.799 1.00 30.12 H new ATOM 0 HD2 PHE A 66 -1.394 -16.310 -7.894 1.00 70.03 H new ATOM 0 HE1 PHE A 66 0.935 -15.030 -3.755 1.00 64.41 H new ATOM 0 HE2 PHE A 66 1.059 -16.196 -7.854 1.00 24.54 H new ATOM 0 HZ PHE A 66 2.230 -15.554 -5.784 1.00 31.00 H new ATOM 1011 N LEU A 67 -4.031 -13.897 -8.403 1.00 72.11 N ATOM 1012 CA LEU A 67 -3.646 -13.300 -9.677 1.00 40.11 C ATOM 1013 C LEU A 67 -4.060 -11.833 -9.738 1.00 61.12 C ATOM 1014 O LEU A 67 -3.863 -11.163 -10.752 1.00 54.21 O ATOM 1015 CB LEU A 67 -4.281 -14.070 -10.836 1.00 52.44 C ATOM 1016 CG LEU A 67 -3.453 -15.219 -11.413 1.00 11.41 C ATOM 1017 CD1 LEU A 67 -4.277 -16.025 -12.405 1.00 21.13 C ATOM 1018 CD2 LEU A 67 -2.190 -14.686 -12.074 1.00 72.32 C ATOM 0 H LEU A 67 -4.913 -14.409 -8.427 1.00 72.11 H new ATOM 0 HA LEU A 67 -2.561 -13.356 -9.763 1.00 40.11 H new ATOM 0 HB2 LEU A 67 -5.237 -14.471 -10.499 1.00 52.44 H new ATOM 0 HB3 LEU A 67 -4.497 -13.365 -11.639 1.00 52.44 H new ATOM 0 HG LEU A 67 -3.161 -15.878 -10.595 1.00 11.41 H new ATOM 0 HD11 LEU A 67 -3.671 -16.838 -12.805 1.00 21.13 H new ATOM 0 HD12 LEU A 67 -5.151 -16.438 -11.901 1.00 21.13 H new ATOM 0 HD13 LEU A 67 -4.600 -15.378 -13.220 1.00 21.13 H new ATOM 0 HD21 LEU A 67 -1.613 -15.517 -12.479 1.00 72.32 H new ATOM 0 HD22 LEU A 67 -2.461 -14.005 -12.881 1.00 72.32 H new ATOM 0 HD23 LEU A 67 -1.590 -14.153 -11.336 1.00 72.32 H new ATOM 1030 N LYS A 68 -4.633 -11.339 -8.646 1.00 25.34 N ATOM 1031 CA LYS A 68 -5.071 -9.951 -8.572 1.00 55.22 C ATOM 1032 C LYS A 68 -4.010 -9.079 -7.908 1.00 72.15 C ATOM 1033 O LYS A 68 -4.023 -7.857 -8.046 1.00 41.32 O ATOM 1034 CB LYS A 68 -6.387 -9.851 -7.797 1.00 0.33 C ATOM 1035 CG LYS A 68 -7.452 -10.822 -8.277 1.00 4.22 C ATOM 1036 CD LYS A 68 -7.872 -10.526 -9.707 1.00 12.14 C ATOM 1037 CE LYS A 68 -9.287 -9.971 -9.768 1.00 0.22 C ATOM 1038 NZ LYS A 68 -9.296 -8.493 -9.952 1.00 25.03 N ATOM 0 H LYS A 68 -4.805 -11.881 -7.799 1.00 25.34 H new ATOM 0 HA LYS A 68 -5.227 -9.591 -9.589 1.00 55.22 H new ATOM 0 HB2 LYS A 68 -6.191 -10.033 -6.740 1.00 0.33 H new ATOM 0 HB3 LYS A 68 -6.771 -8.834 -7.879 1.00 0.33 H new ATOM 0 HG2 LYS A 68 -7.072 -11.842 -8.212 1.00 4.22 H new ATOM 0 HG3 LYS A 68 -8.321 -10.763 -7.622 1.00 4.22 H new ATOM 0 HD2 LYS A 68 -7.180 -9.810 -10.150 1.00 12.14 H new ATOM 0 HD3 LYS A 68 -7.812 -11.438 -10.301 1.00 12.14 H new ATOM 0 HE2 LYS A 68 -9.827 -10.442 -10.589 1.00 0.22 H new ATOM 0 HE3 LYS A 68 -9.817 -10.226 -8.850 1.00 0.22 H new ATOM 0 HZ1 LYS A 68 -10.278 -8.154 -9.989 1.00 25.03 H new ATOM 0 HZ2 LYS A 68 -8.803 -8.041 -9.156 1.00 25.03 H new ATOM 0 HZ3 LYS A 68 -8.813 -8.251 -10.841 1.00 25.03 H new ATOM 1052 N ASN A 69 -3.092 -9.717 -7.189 1.00 51.34 N ATOM 1053 CA ASN A 69 -2.023 -8.999 -6.505 1.00 41.42 C ATOM 1054 C ASN A 69 -0.858 -8.725 -7.452 1.00 74.33 C ATOM 1055 O ASN A 69 -0.061 -7.814 -7.227 1.00 35.30 O ATOM 1056 CB ASN A 69 -1.535 -9.799 -5.296 1.00 64.54 C ATOM 1057 CG ASN A 69 -0.283 -9.208 -4.678 1.00 42.50 C ATOM 1058 OD1 ASN A 69 -0.215 -8.007 -4.416 1.00 1.43 O ATOM 1059 ND2 ASN A 69 0.716 -10.050 -4.442 1.00 71.44 N ATOM 0 H ASN A 69 -3.067 -10.729 -7.065 1.00 51.34 H new ATOM 0 HA ASN A 69 -2.422 -8.044 -6.163 1.00 41.42 H new ATOM 0 HB2 ASN A 69 -2.325 -9.836 -4.546 1.00 64.54 H new ATOM 0 HB3 ASN A 69 -1.336 -10.827 -5.600 1.00 64.54 H new ATOM 0 HD21 ASN A 69 1.583 -9.709 -4.028 1.00 71.44 H new ATOM 0 HD22 ASN A 69 0.616 -11.038 -4.675 1.00 71.44 H new ATOM 1066 N PHE A 70 -0.767 -9.520 -8.513 1.00 64.41 N ATOM 1067 CA PHE A 70 0.300 -9.365 -9.495 1.00 24.01 C ATOM 1068 C PHE A 70 -0.228 -8.726 -10.776 1.00 1.33 C ATOM 1069 O PHE A 70 0.310 -7.726 -11.251 1.00 44.10 O ATOM 1070 CB PHE A 70 0.932 -10.722 -9.812 1.00 22.00 C ATOM 1071 CG PHE A 70 1.618 -11.354 -8.634 1.00 41.35 C ATOM 1072 CD1 PHE A 70 0.880 -11.933 -7.615 1.00 1.01 C ATOM 1073 CD2 PHE A 70 3.001 -11.369 -8.547 1.00 52.35 C ATOM 1074 CE1 PHE A 70 1.509 -12.514 -6.530 1.00 31.10 C ATOM 1075 CE2 PHE A 70 3.635 -11.949 -7.465 1.00 43.21 C ATOM 1076 CZ PHE A 70 2.888 -12.523 -6.456 1.00 21.25 C ATOM 0 H PHE A 70 -1.419 -10.278 -8.715 1.00 64.41 H new ATOM 0 HA PHE A 70 1.059 -8.709 -9.069 1.00 24.01 H new ATOM 0 HB2 PHE A 70 0.159 -11.398 -10.177 1.00 22.00 H new ATOM 0 HB3 PHE A 70 1.654 -10.598 -10.619 1.00 22.00 H new ATOM 0 HD1 PHE A 70 -0.199 -11.930 -7.669 1.00 1.01 H new ATOM 0 HD2 PHE A 70 3.590 -10.922 -9.334 1.00 52.35 H new ATOM 0 HE1 PHE A 70 0.923 -12.961 -5.741 1.00 31.10 H new ATOM 0 HE2 PHE A 70 4.714 -11.953 -7.409 1.00 43.21 H new ATOM 0 HZ PHE A 70 3.381 -12.978 -5.610 1.00 21.25 H new ATOM 1086 N SER A 71 -1.285 -9.311 -11.330 1.00 12.24 N ATOM 1087 CA SER A 71 -1.885 -8.802 -12.558 1.00 5.23 C ATOM 1088 C SER A 71 -3.283 -8.253 -12.293 1.00 11.04 C ATOM 1089 O SER A 71 -3.903 -8.567 -11.277 1.00 30.14 O ATOM 1090 CB SER A 71 -1.950 -9.906 -13.614 1.00 65.42 C ATOM 1091 OG SER A 71 -1.883 -9.365 -14.922 1.00 63.43 O ATOM 0 H SER A 71 -1.744 -10.138 -10.948 1.00 12.24 H new ATOM 0 HA SER A 71 -1.260 -7.990 -12.929 1.00 5.23 H new ATOM 0 HB2 SER A 71 -1.128 -10.606 -13.464 1.00 65.42 H new ATOM 0 HB3 SER A 71 -2.875 -10.471 -13.498 1.00 65.42 H new ATOM 0 HG SER A 71 -1.925 -10.091 -15.579 1.00 63.43 H new ATOM 1097 N SER A 72 -3.774 -7.431 -13.215 1.00 2.34 N ATOM 1098 CA SER A 72 -5.098 -6.834 -13.080 1.00 65.10 C ATOM 1099 C SER A 72 -6.010 -7.275 -14.220 1.00 54.54 C ATOM 1100 O SER A 72 -7.026 -6.637 -14.498 1.00 72.35 O ATOM 1101 CB SER A 72 -4.992 -5.308 -13.056 1.00 53.03 C ATOM 1102 OG SER A 72 -6.269 -4.711 -12.912 1.00 13.10 O ATOM 0 H SER A 72 -3.275 -7.163 -14.063 1.00 2.34 H new ATOM 0 HA SER A 72 -5.530 -7.175 -12.139 1.00 65.10 H new ATOM 0 HB2 SER A 72 -4.347 -4.998 -12.234 1.00 53.03 H new ATOM 0 HB3 SER A 72 -4.525 -4.958 -13.977 1.00 53.03 H new ATOM 0 HG SER A 72 -6.900 -5.134 -13.531 1.00 13.10 H new ATOM 1108 N SER A 73 -5.640 -8.369 -14.877 1.00 72.22 N ATOM 1109 CA SER A 73 -6.423 -8.894 -15.990 1.00 64.12 C ATOM 1110 C SER A 73 -6.934 -10.298 -15.680 1.00 51.45 C ATOM 1111 O SER A 73 -8.059 -10.652 -16.032 1.00 41.22 O ATOM 1112 CB SER A 73 -5.581 -8.916 -17.267 1.00 64.24 C ATOM 1113 OG SER A 73 -6.402 -8.857 -18.421 1.00 2.53 O ATOM 0 H SER A 73 -4.803 -8.909 -14.658 1.00 72.22 H new ATOM 0 HA SER A 73 -7.281 -8.239 -16.140 1.00 64.12 H new ATOM 0 HB2 SER A 73 -4.890 -8.073 -17.265 1.00 64.24 H new ATOM 0 HB3 SER A 73 -4.977 -9.823 -17.293 1.00 64.24 H new ATOM 0 HG SER A 73 -5.840 -8.871 -19.224 1.00 2.53 H new ATOM 1119 N ALA A 74 -6.099 -11.092 -15.019 1.00 60.54 N ATOM 1120 CA ALA A 74 -6.466 -12.456 -14.660 1.00 31.51 C ATOM 1121 C ALA A 74 -7.610 -12.470 -13.652 1.00 0.54 C ATOM 1122 O ALA A 74 -7.432 -12.095 -12.492 1.00 54.04 O ATOM 1123 CB ALA A 74 -5.260 -13.198 -14.102 1.00 71.15 C ATOM 0 H ALA A 74 -5.164 -10.814 -14.721 1.00 60.54 H new ATOM 0 HA ALA A 74 -6.806 -12.963 -15.563 1.00 31.51 H new ATOM 0 HB1 ALA A 74 -5.549 -14.215 -13.838 1.00 71.15 H new ATOM 0 HB2 ALA A 74 -4.471 -13.228 -14.854 1.00 71.15 H new ATOM 0 HB3 ALA A 74 -4.895 -12.683 -13.214 1.00 71.15 H new ATOM 1129 N ARG A 75 -8.784 -12.902 -14.101 1.00 24.13 N ATOM 1130 CA ARG A 75 -9.957 -12.962 -13.238 1.00 11.24 C ATOM 1131 C ARG A 75 -9.612 -13.598 -11.894 1.00 72.34 C ATOM 1132 O ARG A 75 -9.493 -12.909 -10.881 1.00 62.23 O ATOM 1133 CB ARG A 75 -11.076 -13.753 -13.917 1.00 33.22 C ATOM 1134 CG ARG A 75 -10.573 -14.806 -14.890 1.00 73.44 C ATOM 1135 CD ARG A 75 -11.472 -16.033 -14.897 1.00 24.42 C ATOM 1136 NE ARG A 75 -11.018 -17.039 -15.854 1.00 25.15 N ATOM 1137 CZ ARG A 75 -11.433 -18.301 -15.847 1.00 15.44 C ATOM 1138 NH1 ARG A 75 -12.309 -18.709 -14.938 1.00 4.40 N ATOM 1139 NH2 ARG A 75 -10.974 -19.157 -16.750 1.00 53.13 N ATOM 0 H ARG A 75 -8.948 -13.216 -15.058 1.00 24.13 H new ATOM 0 HA ARG A 75 -10.299 -11.942 -13.060 1.00 11.24 H new ATOM 0 HB2 ARG A 75 -11.683 -14.238 -13.152 1.00 33.22 H new ATOM 0 HB3 ARG A 75 -11.728 -13.060 -14.449 1.00 33.22 H new ATOM 0 HG2 ARG A 75 -10.525 -14.383 -15.893 1.00 73.44 H new ATOM 0 HG3 ARG A 75 -9.559 -15.098 -14.619 1.00 73.44 H new ATOM 0 HD2 ARG A 75 -11.498 -16.469 -13.898 1.00 24.42 H new ATOM 0 HD3 ARG A 75 -12.491 -15.734 -15.141 1.00 24.42 H new ATOM 0 HE ARG A 75 -10.345 -16.757 -16.567 1.00 25.15 H new ATOM 0 HH11 ARG A 75 -12.665 -18.053 -14.243 1.00 4.40 H new ATOM 0 HH12 ARG A 75 -12.626 -19.678 -14.935 1.00 4.40 H new ATOM 0 HH21 ARG A 75 -10.301 -18.847 -17.451 1.00 53.13 H new ATOM 0 HH22 ARG A 75 -11.294 -20.126 -16.743 1.00 53.13 H new ATOM 1153 N VAL A 76 -9.454 -14.918 -11.894 1.00 21.10 N ATOM 1154 CA VAL A 76 -9.122 -15.648 -10.676 1.00 54.01 C ATOM 1155 C VAL A 76 -8.422 -16.963 -10.997 1.00 62.42 C ATOM 1156 O VAL A 76 -8.518 -17.475 -12.114 1.00 14.42 O ATOM 1157 CB VAL A 76 -10.380 -15.940 -9.837 1.00 34.50 C ATOM 1158 CG1 VAL A 76 -10.808 -14.701 -9.066 1.00 31.12 C ATOM 1159 CG2 VAL A 76 -11.509 -16.441 -10.726 1.00 23.20 C ATOM 0 H VAL A 76 -9.551 -15.504 -12.724 1.00 21.10 H new ATOM 0 HA VAL A 76 -8.449 -15.013 -10.100 1.00 54.01 H new ATOM 0 HB VAL A 76 -10.141 -16.722 -9.116 1.00 34.50 H new ATOM 0 HG11 VAL A 76 -11.698 -14.927 -8.479 1.00 31.12 H new ATOM 0 HG12 VAL A 76 -10.003 -14.391 -8.399 1.00 31.12 H new ATOM 0 HG13 VAL A 76 -11.030 -13.895 -9.766 1.00 31.12 H new ATOM 0 HG21 VAL A 76 -12.390 -16.642 -10.117 1.00 23.20 H new ATOM 0 HG22 VAL A 76 -11.749 -15.683 -11.471 1.00 23.20 H new ATOM 0 HG23 VAL A 76 -11.198 -17.357 -11.228 1.00 23.20 H new ATOM 1169 N LEU A 77 -7.717 -17.508 -10.012 1.00 2.43 N ATOM 1170 CA LEU A 77 -6.999 -18.765 -10.188 1.00 73.53 C ATOM 1171 C LEU A 77 -7.912 -19.835 -10.780 1.00 52.41 C ATOM 1172 O LEU A 77 -9.132 -19.672 -10.822 1.00 51.55 O ATOM 1173 CB LEU A 77 -6.434 -19.245 -8.850 1.00 61.13 C ATOM 1174 CG LEU A 77 -5.503 -18.271 -8.127 1.00 63.24 C ATOM 1175 CD1 LEU A 77 -4.691 -18.997 -7.065 1.00 75.14 C ATOM 1176 CD2 LEU A 77 -4.583 -17.576 -9.121 1.00 13.44 C ATOM 0 H LEU A 77 -7.627 -17.098 -9.082 1.00 2.43 H new ATOM 0 HA LEU A 77 -6.176 -18.590 -10.881 1.00 73.53 H new ATOM 0 HB2 LEU A 77 -7.268 -19.478 -8.188 1.00 61.13 H new ATOM 0 HB3 LEU A 77 -5.893 -20.176 -9.020 1.00 61.13 H new ATOM 0 HG LEU A 77 -6.113 -17.513 -7.634 1.00 63.24 H new ATOM 0 HD11 LEU A 77 -4.034 -18.288 -6.561 1.00 75.14 H new ATOM 0 HD12 LEU A 77 -5.365 -19.448 -6.337 1.00 75.14 H new ATOM 0 HD13 LEU A 77 -4.091 -19.776 -7.535 1.00 75.14 H new ATOM 0 HD21 LEU A 77 -3.927 -16.886 -8.589 1.00 13.44 H new ATOM 0 HD22 LEU A 77 -3.981 -18.321 -9.642 1.00 13.44 H new ATOM 0 HD23 LEU A 77 -5.181 -17.023 -9.845 1.00 13.44 H new ATOM 1188 N THR A 78 -7.314 -20.931 -11.235 1.00 25.11 N ATOM 1189 CA THR A 78 -8.072 -22.028 -11.823 1.00 40.22 C ATOM 1190 C THR A 78 -7.741 -23.352 -11.144 1.00 1.21 C ATOM 1191 O THR A 78 -7.104 -23.378 -10.091 1.00 1.11 O ATOM 1192 CB THR A 78 -7.796 -22.155 -13.333 1.00 62.42 C ATOM 1193 OG1 THR A 78 -8.763 -23.022 -13.937 1.00 23.45 O ATOM 1194 CG2 THR A 78 -6.396 -22.696 -13.584 1.00 31.35 C ATOM 0 H THR A 78 -6.306 -21.083 -11.208 1.00 25.11 H new ATOM 0 HA THR A 78 -9.127 -21.800 -11.672 1.00 40.22 H new ATOM 0 HB THR A 78 -7.870 -21.163 -13.778 1.00 62.42 H new ATOM 0 HG1 THR A 78 -8.581 -23.096 -14.897 1.00 23.45 H new ATOM 0 HG21 THR A 78 -6.224 -22.777 -14.657 1.00 31.35 H new ATOM 0 HG22 THR A 78 -5.661 -22.019 -13.149 1.00 31.35 H new ATOM 0 HG23 THR A 78 -6.299 -23.680 -13.126 1.00 31.35 H new ATOM 1202 N SER A 79 -8.177 -24.450 -11.753 1.00 42.45 N ATOM 1203 CA SER A 79 -7.929 -25.778 -11.205 1.00 41.12 C ATOM 1204 C SER A 79 -6.482 -26.201 -11.440 1.00 30.12 C ATOM 1205 O SER A 79 -6.218 -27.226 -12.067 1.00 23.52 O ATOM 1206 CB SER A 79 -8.879 -26.798 -11.835 1.00 72.20 C ATOM 1207 OG SER A 79 -9.066 -27.915 -10.983 1.00 14.33 O ATOM 0 H SER A 79 -8.704 -24.446 -12.626 1.00 42.45 H new ATOM 0 HA SER A 79 -8.108 -25.740 -10.131 1.00 41.12 H new ATOM 0 HB2 SER A 79 -9.841 -26.327 -12.038 1.00 72.20 H new ATOM 0 HB3 SER A 79 -8.478 -27.130 -12.793 1.00 72.20 H new ATOM 0 HG SER A 79 -9.678 -28.551 -11.408 1.00 14.33 H new ATOM 1213 N ALA A 80 -5.549 -25.403 -10.931 1.00 61.13 N ATOM 1214 CA ALA A 80 -4.129 -25.695 -11.083 1.00 2.21 C ATOM 1215 C ALA A 80 -3.275 -24.645 -10.380 1.00 23.31 C ATOM 1216 O ALA A 80 -2.237 -24.964 -9.801 1.00 44.30 O ATOM 1217 CB ALA A 80 -3.761 -25.776 -12.557 1.00 73.11 C ATOM 0 H ALA A 80 -5.751 -24.550 -10.410 1.00 61.13 H new ATOM 0 HA ALA A 80 -3.930 -26.660 -10.617 1.00 2.21 H new ATOM 0 HB1 ALA A 80 -2.698 -25.995 -12.655 1.00 73.11 H new ATOM 0 HB2 ALA A 80 -4.340 -26.567 -13.034 1.00 73.11 H new ATOM 0 HB3 ALA A 80 -3.982 -24.824 -13.040 1.00 73.11 H new ATOM 1223 N GLU A 81 -3.719 -23.393 -10.435 1.00 64.45 N ATOM 1224 CA GLU A 81 -2.993 -22.297 -9.805 1.00 24.43 C ATOM 1225 C GLU A 81 -3.291 -22.237 -8.309 1.00 42.33 C ATOM 1226 O GLU A 81 -2.382 -22.116 -7.487 1.00 61.21 O ATOM 1227 CB GLU A 81 -3.360 -20.966 -10.464 1.00 34.43 C ATOM 1228 CG GLU A 81 -3.038 -20.912 -11.948 1.00 33.44 C ATOM 1229 CD GLU A 81 -3.058 -19.500 -12.498 1.00 1.52 C ATOM 1230 OE1 GLU A 81 -2.147 -18.717 -12.154 1.00 71.11 O ATOM 1231 OE2 GLU A 81 -3.983 -19.176 -13.271 1.00 72.12 O ATOM 0 H GLU A 81 -4.578 -23.113 -10.909 1.00 64.45 H new ATOM 0 HA GLU A 81 -1.926 -22.477 -9.939 1.00 24.43 H new ATOM 0 HB2 GLU A 81 -4.426 -20.783 -10.325 1.00 34.43 H new ATOM 0 HB3 GLU A 81 -2.830 -20.160 -9.956 1.00 34.43 H new ATOM 0 HG2 GLU A 81 -2.055 -21.351 -12.119 1.00 33.44 H new ATOM 0 HG3 GLU A 81 -3.758 -21.521 -12.495 1.00 33.44 H new ATOM 1238 N THR A 82 -4.572 -22.320 -7.963 1.00 63.43 N ATOM 1239 CA THR A 82 -4.991 -22.273 -6.568 1.00 73.44 C ATOM 1240 C THR A 82 -4.537 -23.519 -5.815 1.00 52.54 C ATOM 1241 O THR A 82 -4.167 -23.448 -4.643 1.00 42.43 O ATOM 1242 CB THR A 82 -6.521 -22.143 -6.446 1.00 52.31 C ATOM 1243 OG1 THR A 82 -7.082 -21.754 -7.705 1.00 70.41 O ATOM 1244 CG2 THR A 82 -6.894 -21.121 -5.382 1.00 42.15 C ATOM 0 H THR A 82 -5.337 -22.420 -8.630 1.00 63.43 H new ATOM 0 HA THR A 82 -4.522 -21.394 -6.126 1.00 73.44 H new ATOM 0 HB THR A 82 -6.924 -23.113 -6.153 1.00 52.31 H new ATOM 0 HG1 THR A 82 -8.055 -21.675 -7.619 1.00 70.41 H new ATOM 0 HG21 THR A 82 -7.979 -21.046 -5.314 1.00 42.15 H new ATOM 0 HG22 THR A 82 -6.491 -21.434 -4.419 1.00 42.15 H new ATOM 0 HG23 THR A 82 -6.480 -20.149 -5.650 1.00 42.15 H new ATOM 1252 N LYS A 83 -4.567 -24.659 -6.496 1.00 32.54 N ATOM 1253 CA LYS A 83 -4.157 -25.922 -5.892 1.00 43.30 C ATOM 1254 C LYS A 83 -2.643 -25.970 -5.707 1.00 54.42 C ATOM 1255 O LYS A 83 -2.150 -26.339 -4.642 1.00 72.31 O ATOM 1256 CB LYS A 83 -4.613 -27.097 -6.759 1.00 22.40 C ATOM 1257 CG LYS A 83 -6.106 -27.103 -7.039 1.00 65.34 C ATOM 1258 CD LYS A 83 -6.877 -27.815 -5.940 1.00 44.23 C ATOM 1259 CE LYS A 83 -8.368 -27.528 -6.030 1.00 63.43 C ATOM 1260 NZ LYS A 83 -9.172 -28.538 -5.289 1.00 33.44 N ATOM 0 H LYS A 83 -4.871 -24.735 -7.467 1.00 32.54 H new ATOM 0 HA LYS A 83 -4.628 -25.998 -4.912 1.00 43.30 H new ATOM 0 HB2 LYS A 83 -4.074 -27.069 -7.706 1.00 22.40 H new ATOM 0 HB3 LYS A 83 -4.341 -28.030 -6.265 1.00 22.40 H new ATOM 0 HG2 LYS A 83 -6.464 -26.078 -7.130 1.00 65.34 H new ATOM 0 HG3 LYS A 83 -6.296 -27.593 -7.994 1.00 65.34 H new ATOM 0 HD2 LYS A 83 -6.707 -28.889 -6.012 1.00 44.23 H new ATOM 0 HD3 LYS A 83 -6.502 -27.498 -4.967 1.00 44.23 H new ATOM 0 HE2 LYS A 83 -8.572 -26.536 -5.628 1.00 63.43 H new ATOM 0 HE3 LYS A 83 -8.673 -27.517 -7.076 1.00 63.43 H new ATOM 0 HZ1 LYS A 83 -10.183 -28.308 -5.374 1.00 33.44 H new ATOM 0 HZ2 LYS A 83 -8.997 -29.482 -5.689 1.00 33.44 H new ATOM 0 HZ3 LYS A 83 -8.899 -28.531 -4.286 1.00 33.44 H new ATOM 1274 N ALA A 84 -1.912 -25.592 -6.751 1.00 31.12 N ATOM 1275 CA ALA A 84 -0.455 -25.589 -6.702 1.00 13.14 C ATOM 1276 C ALA A 84 0.060 -24.508 -5.757 1.00 73.03 C ATOM 1277 O ALA A 84 1.252 -24.450 -5.455 1.00 32.31 O ATOM 1278 CB ALA A 84 0.119 -25.391 -8.097 1.00 24.45 C ATOM 0 H ALA A 84 -2.305 -25.284 -7.640 1.00 31.12 H new ATOM 0 HA ALA A 84 -0.126 -26.555 -6.320 1.00 13.14 H new ATOM 0 HB1 ALA A 84 1.208 -25.391 -8.046 1.00 24.45 H new ATOM 0 HB2 ALA A 84 -0.214 -26.201 -8.746 1.00 24.45 H new ATOM 0 HB3 ALA A 84 -0.225 -24.439 -8.500 1.00 24.45 H new ATOM 1284 N PHE A 85 -0.846 -23.652 -5.295 1.00 22.42 N ATOM 1285 CA PHE A 85 -0.482 -22.572 -4.386 1.00 13.33 C ATOM 1286 C PHE A 85 -0.923 -22.889 -2.960 1.00 21.23 C ATOM 1287 O PHE A 85 -0.151 -22.740 -2.011 1.00 51.03 O ATOM 1288 CB PHE A 85 -1.113 -21.256 -4.845 1.00 54.15 C ATOM 1289 CG PHE A 85 -0.611 -20.056 -4.095 1.00 14.31 C ATOM 1290 CD1 PHE A 85 0.586 -19.453 -4.446 1.00 71.32 C ATOM 1291 CD2 PHE A 85 -1.337 -19.530 -3.038 1.00 25.25 C ATOM 1292 CE1 PHE A 85 1.051 -18.348 -3.758 1.00 34.42 C ATOM 1293 CE2 PHE A 85 -0.877 -18.425 -2.346 1.00 31.42 C ATOM 1294 CZ PHE A 85 0.318 -17.835 -2.706 1.00 5.45 C ATOM 0 H PHE A 85 -1.837 -23.686 -5.535 1.00 22.42 H new ATOM 0 HA PHE A 85 0.603 -22.471 -4.399 1.00 13.33 H new ATOM 0 HB2 PHE A 85 -0.915 -21.119 -5.908 1.00 54.15 H new ATOM 0 HB3 PHE A 85 -2.195 -21.321 -4.728 1.00 54.15 H new ATOM 0 HD1 PHE A 85 1.163 -19.851 -5.267 1.00 71.32 H new ATOM 0 HD2 PHE A 85 -2.272 -19.988 -2.752 1.00 25.25 H new ATOM 0 HE1 PHE A 85 1.985 -17.887 -4.042 1.00 34.42 H new ATOM 0 HE2 PHE A 85 -1.452 -18.024 -1.525 1.00 31.42 H new ATOM 0 HZ PHE A 85 0.679 -16.973 -2.165 1.00 5.45 H new ATOM 1304 N LEU A 86 -2.169 -23.327 -2.816 1.00 23.14 N ATOM 1305 CA LEU A 86 -2.714 -23.666 -1.506 1.00 10.44 C ATOM 1306 C LEU A 86 -2.010 -24.886 -0.922 1.00 22.15 C ATOM 1307 O LEU A 86 -1.510 -24.848 0.202 1.00 10.13 O ATOM 1308 CB LEU A 86 -4.217 -23.931 -1.610 1.00 61.10 C ATOM 1309 CG LEU A 86 -5.044 -23.606 -0.366 1.00 21.44 C ATOM 1310 CD1 LEU A 86 -6.490 -23.327 -0.744 1.00 11.32 C ATOM 1311 CD2 LEU A 86 -4.965 -24.746 0.640 1.00 45.21 C ATOM 0 H LEU A 86 -2.821 -23.456 -3.590 1.00 23.14 H new ATOM 0 HA LEU A 86 -2.546 -22.820 -0.840 1.00 10.44 H new ATOM 0 HB2 LEU A 86 -4.611 -23.351 -2.445 1.00 61.10 H new ATOM 0 HB3 LEU A 86 -4.364 -24.983 -1.855 1.00 61.10 H new ATOM 0 HG LEU A 86 -4.631 -22.710 0.097 1.00 21.44 H new ATOM 0 HD11 LEU A 86 -7.063 -23.098 0.154 1.00 11.32 H new ATOM 0 HD12 LEU A 86 -6.530 -22.478 -1.427 1.00 11.32 H new ATOM 0 HD13 LEU A 86 -6.915 -24.205 -1.231 1.00 11.32 H new ATOM 0 HD21 LEU A 86 -5.560 -24.497 1.519 1.00 45.21 H new ATOM 0 HD22 LEU A 86 -5.352 -25.659 0.187 1.00 45.21 H new ATOM 0 HD23 LEU A 86 -3.927 -24.899 0.935 1.00 45.21 H new ATOM 1323 N ALA A 87 -1.973 -25.967 -1.693 1.00 62.35 N ATOM 1324 CA ALA A 87 -1.326 -27.198 -1.254 1.00 51.45 C ATOM 1325 C ALA A 87 0.184 -27.014 -1.142 1.00 74.32 C ATOM 1326 O ALA A 87 0.880 -27.857 -0.577 1.00 42.31 O ATOM 1327 CB ALA A 87 -1.652 -28.335 -2.211 1.00 21.33 C ATOM 0 H ALA A 87 -2.384 -26.016 -2.625 1.00 62.35 H new ATOM 0 HA ALA A 87 -1.709 -27.449 -0.265 1.00 51.45 H new ATOM 0 HB1 ALA A 87 -1.163 -29.248 -1.872 1.00 21.33 H new ATOM 0 HB2 ALA A 87 -2.731 -28.490 -2.238 1.00 21.33 H new ATOM 0 HB3 ALA A 87 -1.297 -28.083 -3.210 1.00 21.33 H new ATOM 1333 N ALA A 88 0.683 -25.909 -1.685 1.00 12.52 N ATOM 1334 CA ALA A 88 2.110 -25.615 -1.644 1.00 51.41 C ATOM 1335 C ALA A 88 2.437 -24.637 -0.520 1.00 63.42 C ATOM 1336 O ALA A 88 3.548 -24.633 0.008 1.00 64.11 O ATOM 1337 CB ALA A 88 2.572 -25.057 -2.982 1.00 63.32 C ATOM 0 H ALA A 88 0.120 -25.202 -2.159 1.00 12.52 H new ATOM 0 HA ALA A 88 2.642 -26.546 -1.447 1.00 51.41 H new ATOM 0 HB1 ALA A 88 3.640 -24.842 -2.937 1.00 63.32 H new ATOM 0 HB2 ALA A 88 2.382 -25.789 -3.767 1.00 63.32 H new ATOM 0 HB3 ALA A 88 2.026 -24.140 -3.202 1.00 63.32 H new ATOM 1343 N GLY A 89 1.462 -23.809 -0.159 1.00 73.03 N ATOM 1344 CA GLY A 89 1.667 -22.838 0.899 1.00 11.15 C ATOM 1345 C GLY A 89 1.094 -23.296 2.226 1.00 72.42 C ATOM 1346 O GLY A 89 1.822 -23.439 3.208 1.00 31.12 O ATOM 0 H GLY A 89 0.533 -23.793 -0.581 1.00 73.03 H new ATOM 0 HA2 GLY A 89 2.735 -22.650 1.013 1.00 11.15 H new ATOM 0 HA3 GLY A 89 1.205 -21.892 0.614 1.00 11.15 H new ATOM 1350 N ASP A 90 -0.214 -23.526 2.255 1.00 32.14 N ATOM 1351 CA ASP A 90 -0.885 -23.971 3.472 1.00 52.55 C ATOM 1352 C ASP A 90 -0.207 -25.212 4.044 1.00 53.44 C ATOM 1353 O ASP A 90 -0.416 -26.325 3.561 1.00 70.22 O ATOM 1354 CB ASP A 90 -2.359 -24.264 3.188 1.00 32.21 C ATOM 1355 CG ASP A 90 -3.042 -24.967 4.345 1.00 72.45 C ATOM 1356 OD1 ASP A 90 -2.909 -24.490 5.491 1.00 64.53 O ATOM 1357 OD2 ASP A 90 -3.710 -25.995 4.104 1.00 64.45 O ATOM 0 H ASP A 90 -0.831 -23.412 1.451 1.00 32.14 H new ATOM 0 HA ASP A 90 -0.817 -23.171 4.209 1.00 52.55 H new ATOM 0 HB2 ASP A 90 -2.878 -23.329 2.977 1.00 32.21 H new ATOM 0 HB3 ASP A 90 -2.438 -24.882 2.293 1.00 32.21 H new ATOM 1362 N THR A 91 0.607 -25.013 5.075 1.00 0.45 N ATOM 1363 CA THR A 91 1.318 -26.114 5.712 1.00 34.40 C ATOM 1364 C THR A 91 0.998 -26.187 7.201 1.00 63.42 C ATOM 1365 O THR A 91 0.945 -27.272 7.781 1.00 14.34 O ATOM 1366 CB THR A 91 2.841 -25.979 5.531 1.00 23.24 C ATOM 1367 OG1 THR A 91 3.301 -24.768 6.141 1.00 43.23 O ATOM 1368 CG2 THR A 91 3.214 -25.984 4.056 1.00 31.25 C ATOM 0 H THR A 91 0.791 -24.098 5.487 1.00 0.45 H new ATOM 0 HA THR A 91 0.982 -27.030 5.226 1.00 34.40 H new ATOM 0 HB THR A 91 3.319 -26.832 6.012 1.00 23.24 H new ATOM 0 HG1 THR A 91 2.531 -24.234 6.428 1.00 43.23 H new ATOM 0 HG21 THR A 91 4.295 -25.887 3.954 1.00 31.25 H new ATOM 0 HG22 THR A 91 2.889 -26.920 3.602 1.00 31.25 H new ATOM 0 HG23 THR A 91 2.726 -25.148 3.554 1.00 31.25 H new ATOM 1407 N GLY A 95 -6.301 -25.486 4.985 1.00 42.20 N ATOM 1408 CA GLY A 95 -6.853 -25.064 3.711 1.00 42.40 C ATOM 1409 C GLY A 95 -6.594 -23.598 3.424 1.00 12.34 C ATOM 1410 O GLY A 95 -6.733 -23.145 2.288 1.00 73.32 O ATOM 0 HA2 GLY A 95 -6.422 -25.669 2.913 1.00 42.40 H new ATOM 0 HA3 GLY A 95 -7.927 -25.248 3.705 1.00 42.40 H new ATOM 1414 N LYS A 96 -6.218 -22.852 4.458 1.00 53.13 N ATOM 1415 CA LYS A 96 -5.940 -21.428 4.313 1.00 1.11 C ATOM 1416 C LYS A 96 -4.443 -21.153 4.413 1.00 22.41 C ATOM 1417 O LYS A 96 -3.658 -22.049 4.727 1.00 42.22 O ATOM 1418 CB LYS A 96 -6.688 -20.630 5.383 1.00 12.31 C ATOM 1419 CG LYS A 96 -6.566 -21.219 6.778 1.00 41.42 C ATOM 1420 CD LYS A 96 -7.344 -20.404 7.797 1.00 34.02 C ATOM 1421 CE LYS A 96 -8.206 -21.293 8.681 1.00 63.41 C ATOM 1422 NZ LYS A 96 -8.936 -20.508 9.714 1.00 31.11 N ATOM 0 H LYS A 96 -6.099 -23.210 5.406 1.00 53.13 H new ATOM 0 HA LYS A 96 -6.284 -21.115 3.327 1.00 1.11 H new ATOM 0 HB2 LYS A 96 -6.308 -19.609 5.395 1.00 12.31 H new ATOM 0 HB3 LYS A 96 -7.742 -20.575 5.112 1.00 12.31 H new ATOM 0 HG2 LYS A 96 -6.934 -22.245 6.774 1.00 41.42 H new ATOM 0 HG3 LYS A 96 -5.516 -21.258 7.067 1.00 41.42 H new ATOM 0 HD2 LYS A 96 -6.650 -19.836 8.417 1.00 34.02 H new ATOM 0 HD3 LYS A 96 -7.975 -19.681 7.281 1.00 34.02 H new ATOM 0 HE2 LYS A 96 -8.922 -21.834 8.063 1.00 63.41 H new ATOM 0 HE3 LYS A 96 -7.578 -22.039 9.168 1.00 63.41 H new ATOM 0 HZ1 LYS A 96 -9.512 -21.150 10.295 1.00 31.11 H new ATOM 0 HZ2 LYS A 96 -8.252 -20.011 10.320 1.00 31.11 H new ATOM 0 HZ3 LYS A 96 -9.555 -19.813 9.249 1.00 31.11 H new ATOM 1436 N ILE A 97 -4.055 -19.911 4.146 1.00 4.02 N ATOM 1437 CA ILE A 97 -2.652 -19.519 4.209 1.00 31.21 C ATOM 1438 C ILE A 97 -2.490 -18.165 4.891 1.00 43.24 C ATOM 1439 O ILE A 97 -3.064 -17.167 4.457 1.00 42.11 O ATOM 1440 CB ILE A 97 -2.022 -19.454 2.805 1.00 14.41 C ATOM 1441 CG1 ILE A 97 -2.000 -20.844 2.167 1.00 24.11 C ATOM 1442 CG2 ILE A 97 -0.617 -18.877 2.882 1.00 43.25 C ATOM 1443 CD1 ILE A 97 -1.361 -20.869 0.796 1.00 73.41 C ATOM 0 H ILE A 97 -4.692 -19.159 3.884 1.00 4.02 H new ATOM 0 HA ILE A 97 -2.137 -20.281 4.794 1.00 31.21 H new ATOM 0 HB ILE A 97 -2.629 -18.799 2.180 1.00 14.41 H new ATOM 0 HG12 ILE A 97 -1.461 -21.528 2.823 1.00 24.11 H new ATOM 0 HG13 ILE A 97 -3.022 -21.216 2.090 1.00 24.11 H new ATOM 0 HG21 ILE A 97 -0.185 -18.837 1.882 1.00 43.25 H new ATOM 0 HG22 ILE A 97 -0.659 -17.871 3.299 1.00 43.25 H new ATOM 0 HG23 ILE A 97 0.001 -19.509 3.520 1.00 43.25 H new ATOM 0 HD11 ILE A 97 -1.380 -21.886 0.404 1.00 73.41 H new ATOM 0 HD12 ILE A 97 -1.913 -20.211 0.125 1.00 73.41 H new ATOM 0 HD13 ILE A 97 -0.328 -20.528 0.870 1.00 73.41 H new ATOM 1455 N GLY A 98 -1.701 -18.137 5.961 1.00 61.52 N ATOM 1456 CA GLY A 98 -1.475 -16.900 6.685 1.00 72.04 C ATOM 1457 C GLY A 98 -0.216 -16.186 6.234 1.00 72.22 C ATOM 1458 O GLY A 98 -0.106 -15.776 5.078 1.00 13.24 O ATOM 0 H GLY A 98 -1.214 -18.950 6.339 1.00 61.52 H new ATOM 0 HA2 GLY A 98 -2.332 -16.241 6.548 1.00 72.04 H new ATOM 0 HA3 GLY A 98 -1.405 -17.114 7.751 1.00 72.04 H new ATOM 1462 N VAL A 99 0.737 -16.036 7.148 1.00 14.44 N ATOM 1463 CA VAL A 99 1.994 -15.366 6.839 1.00 1.42 C ATOM 1464 C VAL A 99 3.163 -16.344 6.880 1.00 14.14 C ATOM 1465 O VAL A 99 3.904 -16.481 5.908 1.00 2.22 O ATOM 1466 CB VAL A 99 2.271 -14.211 7.820 1.00 13.20 C ATOM 1467 CG1 VAL A 99 2.107 -12.868 7.124 1.00 31.12 C ATOM 1468 CG2 VAL A 99 1.354 -14.309 9.030 1.00 0.11 C ATOM 0 H VAL A 99 0.662 -16.370 8.109 1.00 14.44 H new ATOM 0 HA VAL A 99 1.897 -14.962 5.831 1.00 1.42 H new ATOM 0 HB VAL A 99 3.302 -14.290 8.166 1.00 13.20 H new ATOM 0 HG11 VAL A 99 2.307 -12.064 7.833 1.00 31.12 H new ATOM 0 HG12 VAL A 99 2.808 -12.801 6.292 1.00 31.12 H new ATOM 0 HG13 VAL A 99 1.088 -12.775 6.748 1.00 31.12 H new ATOM 0 HG21 VAL A 99 1.563 -13.485 9.713 1.00 0.11 H new ATOM 0 HG22 VAL A 99 0.315 -14.256 8.704 1.00 0.11 H new ATOM 0 HG23 VAL A 99 1.526 -15.256 9.541 1.00 0.11 H new ATOM 1478 N GLU A 100 3.320 -17.022 8.013 1.00 72.21 N ATOM 1479 CA GLU A 100 4.399 -17.988 8.180 1.00 22.24 C ATOM 1480 C GLU A 100 4.355 -19.049 7.084 1.00 44.41 C ATOM 1481 O GLU A 100 5.391 -19.559 6.659 1.00 42.23 O ATOM 1482 CB GLU A 100 4.308 -18.655 9.554 1.00 33.43 C ATOM 1483 CG GLU A 100 5.428 -18.257 10.500 1.00 24.51 C ATOM 1484 CD GLU A 100 5.582 -19.221 11.661 1.00 70.02 C ATOM 1485 OE1 GLU A 100 5.384 -20.436 11.454 1.00 32.40 O ATOM 1486 OE2 GLU A 100 5.901 -18.759 12.776 1.00 12.25 O ATOM 0 H GLU A 100 2.714 -16.920 8.827 1.00 72.21 H new ATOM 0 HA GLU A 100 5.346 -17.453 8.105 1.00 22.24 H new ATOM 0 HB2 GLU A 100 3.351 -18.400 10.010 1.00 33.43 H new ATOM 0 HB3 GLU A 100 4.321 -19.737 9.425 1.00 33.43 H new ATOM 0 HG2 GLU A 100 6.366 -18.208 9.947 1.00 24.51 H new ATOM 0 HG3 GLU A 100 5.234 -17.257 10.887 1.00 24.51 H new ATOM 1493 N GLU A 101 3.148 -19.375 6.632 1.00 4.31 N ATOM 1494 CA GLU A 101 2.970 -20.375 5.586 1.00 34.24 C ATOM 1495 C GLU A 101 3.079 -19.742 4.203 1.00 45.44 C ATOM 1496 O GLU A 101 3.191 -20.440 3.195 1.00 75.03 O ATOM 1497 CB GLU A 101 1.612 -21.066 5.737 1.00 4.40 C ATOM 1498 CG GLU A 101 1.248 -21.384 7.177 1.00 22.53 C ATOM 1499 CD GLU A 101 2.445 -21.826 7.998 1.00 74.04 C ATOM 1500 OE1 GLU A 101 3.300 -22.556 7.453 1.00 13.40 O ATOM 1501 OE2 GLU A 101 2.526 -21.443 9.183 1.00 10.21 O ATOM 0 H GLU A 101 2.280 -18.962 6.973 1.00 4.31 H new ATOM 0 HA GLU A 101 3.762 -21.117 5.690 1.00 34.24 H new ATOM 0 HB2 GLU A 101 0.839 -20.428 5.308 1.00 4.40 H new ATOM 0 HB3 GLU A 101 1.618 -21.991 5.160 1.00 4.40 H new ATOM 0 HG2 GLU A 101 0.801 -20.503 7.638 1.00 22.53 H new ATOM 0 HG3 GLU A 101 0.492 -22.169 7.192 1.00 22.53 H new ATOM 1508 N PHE A 102 3.047 -18.414 4.162 1.00 1.31 N ATOM 1509 CA PHE A 102 3.141 -17.685 2.903 1.00 43.33 C ATOM 1510 C PHE A 102 4.594 -17.560 2.454 1.00 63.44 C ATOM 1511 O PHE A 102 4.986 -18.111 1.425 1.00 35.41 O ATOM 1512 CB PHE A 102 2.519 -16.294 3.046 1.00 22.20 C ATOM 1513 CG PHE A 102 2.474 -15.522 1.758 1.00 33.24 C ATOM 1514 CD1 PHE A 102 1.434 -15.706 0.861 1.00 21.32 C ATOM 1515 CD2 PHE A 102 3.471 -14.613 1.445 1.00 10.30 C ATOM 1516 CE1 PHE A 102 1.389 -14.997 -0.324 1.00 71.24 C ATOM 1517 CE2 PHE A 102 3.431 -13.901 0.261 1.00 11.53 C ATOM 1518 CZ PHE A 102 2.389 -14.094 -0.625 1.00 44.11 C ATOM 0 H PHE A 102 2.957 -17.821 4.987 1.00 1.31 H new ATOM 0 HA PHE A 102 2.592 -18.245 2.146 1.00 43.33 H new ATOM 0 HB2 PHE A 102 1.506 -16.396 3.435 1.00 22.20 H new ATOM 0 HB3 PHE A 102 3.087 -15.725 3.782 1.00 22.20 H new ATOM 0 HD1 PHE A 102 0.650 -16.412 1.091 1.00 21.32 H new ATOM 0 HD2 PHE A 102 4.289 -14.459 2.134 1.00 10.30 H new ATOM 0 HE1 PHE A 102 0.572 -15.149 -1.014 1.00 71.24 H new ATOM 0 HE2 PHE A 102 4.214 -13.194 0.029 1.00 11.53 H new ATOM 0 HZ PHE A 102 2.357 -13.540 -1.551 1.00 44.11 H new ATOM 1528 N GLN A 103 5.388 -16.832 3.232 1.00 32.14 N ATOM 1529 CA GLN A 103 6.797 -16.634 2.914 1.00 30.14 C ATOM 1530 C GLN A 103 7.500 -17.971 2.701 1.00 52.31 C ATOM 1531 O GLN A 103 8.368 -18.096 1.837 1.00 11.32 O ATOM 1532 CB GLN A 103 7.489 -15.853 4.033 1.00 62.32 C ATOM 1533 CG GLN A 103 7.217 -16.409 5.421 1.00 24.43 C ATOM 1534 CD GLN A 103 8.029 -15.715 6.497 1.00 22.21 C ATOM 1535 OE1 GLN A 103 7.584 -14.731 7.089 1.00 22.41 O ATOM 1536 NE2 GLN A 103 9.228 -16.225 6.756 1.00 35.15 N ATOM 0 H GLN A 103 5.080 -16.369 4.087 1.00 32.14 H new ATOM 0 HA GLN A 103 6.858 -16.061 1.989 1.00 30.14 H new ATOM 0 HB2 GLN A 103 8.564 -15.854 3.854 1.00 62.32 H new ATOM 0 HB3 GLN A 103 7.161 -14.814 3.996 1.00 62.32 H new ATOM 0 HG2 GLN A 103 6.156 -16.305 5.648 1.00 24.43 H new ATOM 0 HG3 GLN A 103 7.443 -17.475 5.432 1.00 24.43 H new ATOM 0 HE21 GLN A 103 9.557 -17.042 6.241 1.00 35.15 H new ATOM 0 HE22 GLN A 103 9.820 -15.800 7.470 1.00 35.15 H new ATOM 1545 N SER A 104 7.119 -18.967 3.494 1.00 62.21 N ATOM 1546 CA SER A 104 7.716 -20.294 3.395 1.00 41.14 C ATOM 1547 C SER A 104 7.573 -20.850 1.981 1.00 53.30 C ATOM 1548 O SER A 104 8.327 -21.731 1.568 1.00 23.42 O ATOM 1549 CB SER A 104 7.063 -21.247 4.398 1.00 42.50 C ATOM 1550 OG SER A 104 7.514 -22.576 4.206 1.00 20.35 O ATOM 0 H SER A 104 6.400 -18.881 4.212 1.00 62.21 H new ATOM 0 HA SER A 104 8.777 -20.206 3.627 1.00 41.14 H new ATOM 0 HB2 SER A 104 7.293 -20.925 5.414 1.00 42.50 H new ATOM 0 HB3 SER A 104 5.979 -21.208 4.289 1.00 42.50 H new ATOM 0 HG SER A 104 7.083 -23.165 4.860 1.00 20.35 H new ATOM 1556 N LEU A 105 6.599 -20.328 1.243 1.00 11.02 N ATOM 1557 CA LEU A 105 6.355 -20.771 -0.125 1.00 53.22 C ATOM 1558 C LEU A 105 7.070 -19.868 -1.125 1.00 54.04 C ATOM 1559 O LEU A 105 7.696 -20.346 -2.071 1.00 44.53 O ATOM 1560 CB LEU A 105 4.853 -20.786 -0.417 1.00 2.01 C ATOM 1561 CG LEU A 105 4.456 -20.961 -1.883 1.00 61.41 C ATOM 1562 CD1 LEU A 105 3.184 -21.788 -1.996 1.00 44.35 C ATOM 1563 CD2 LEU A 105 4.276 -19.607 -2.553 1.00 14.25 C ATOM 0 H LEU A 105 5.966 -19.598 1.569 1.00 11.02 H new ATOM 0 HA LEU A 105 6.749 -21.782 -0.229 1.00 53.22 H new ATOM 0 HB2 LEU A 105 4.399 -21.592 0.160 1.00 2.01 H new ATOM 0 HB3 LEU A 105 4.423 -19.852 -0.054 1.00 2.01 H new ATOM 0 HG LEU A 105 5.258 -21.493 -2.396 1.00 61.41 H new ATOM 0 HD11 LEU A 105 2.916 -21.902 -3.046 1.00 44.35 H new ATOM 0 HD12 LEU A 105 3.349 -22.771 -1.554 1.00 44.35 H new ATOM 0 HD13 LEU A 105 2.374 -21.284 -1.468 1.00 44.35 H new ATOM 0 HD21 LEU A 105 3.994 -19.752 -3.596 1.00 14.25 H new ATOM 0 HD22 LEU A 105 3.494 -19.048 -2.039 1.00 14.25 H new ATOM 0 HD23 LEU A 105 5.212 -19.050 -2.504 1.00 14.25 H new ATOM 1575 N VAL A 106 6.973 -18.560 -0.909 1.00 33.02 N ATOM 1576 CA VAL A 106 7.613 -17.590 -1.789 1.00 53.21 C ATOM 1577 C VAL A 106 9.113 -17.844 -1.889 1.00 75.33 C ATOM 1578 O VAL A 106 9.687 -17.815 -2.978 1.00 4.13 O ATOM 1579 CB VAL A 106 7.379 -16.148 -1.300 1.00 24.25 C ATOM 1580 CG1 VAL A 106 7.930 -15.147 -2.304 1.00 74.31 C ATOM 1581 CG2 VAL A 106 5.899 -15.905 -1.048 1.00 0.41 C ATOM 0 H VAL A 106 6.457 -18.148 -0.132 1.00 33.02 H new ATOM 0 HA VAL A 106 7.161 -17.710 -2.774 1.00 53.21 H new ATOM 0 HB VAL A 106 7.911 -16.011 -0.359 1.00 24.25 H new ATOM 0 HG11 VAL A 106 7.755 -14.134 -1.941 1.00 74.31 H new ATOM 0 HG12 VAL A 106 9.001 -15.308 -2.428 1.00 74.31 H new ATOM 0 HG13 VAL A 106 7.429 -15.280 -3.263 1.00 74.31 H new ATOM 0 HG21 VAL A 106 5.752 -14.882 -0.703 1.00 0.41 H new ATOM 0 HG22 VAL A 106 5.342 -16.060 -1.972 1.00 0.41 H new ATOM 0 HG23 VAL A 106 5.541 -16.599 -0.288 1.00 0.41 H new ATOM 1591 N LYS A 107 9.742 -18.095 -0.746 1.00 42.04 N ATOM 1592 CA LYS A 107 11.176 -18.357 -0.704 1.00 11.04 C ATOM 1593 C LYS A 107 11.528 -19.592 -1.527 1.00 1.21 C ATOM 1594 O LYS A 107 12.683 -19.791 -1.901 1.00 43.24 O ATOM 1595 CB LYS A 107 11.638 -18.547 0.743 1.00 15.30 C ATOM 1596 CG LYS A 107 11.561 -17.280 1.577 1.00 12.41 C ATOM 1597 CD LYS A 107 12.609 -17.272 2.677 1.00 42.41 C ATOM 1598 CE LYS A 107 14.001 -17.015 2.119 1.00 54.24 C ATOM 1599 NZ LYS A 107 14.253 -15.563 1.904 1.00 0.14 N ATOM 0 H LYS A 107 9.281 -18.123 0.164 1.00 42.04 H new ATOM 0 HA LYS A 107 11.690 -17.497 -1.134 1.00 11.04 H new ATOM 0 HB2 LYS A 107 11.028 -19.319 1.212 1.00 15.30 H new ATOM 0 HB3 LYS A 107 12.666 -18.910 0.743 1.00 15.30 H new ATOM 0 HG2 LYS A 107 11.701 -16.411 0.934 1.00 12.41 H new ATOM 0 HG3 LYS A 107 10.568 -17.194 2.018 1.00 12.41 H new ATOM 0 HD2 LYS A 107 12.362 -16.504 3.410 1.00 42.41 H new ATOM 0 HD3 LYS A 107 12.596 -18.228 3.200 1.00 42.41 H new ATOM 0 HE2 LYS A 107 14.747 -17.415 2.805 1.00 54.24 H new ATOM 0 HE3 LYS A 107 14.118 -17.548 1.175 1.00 54.24 H new ATOM 0 HZ1 LYS A 107 15.275 -15.376 1.957 1.00 0.14 H new ATOM 0 HZ2 LYS A 107 13.898 -15.284 0.967 1.00 0.14 H new ATOM 0 HZ3 LYS A 107 13.763 -15.013 2.638 1.00 0.14 H new ATOM 1613 N ALA A 108 10.525 -20.417 -1.806 1.00 74.30 N ATOM 1614 CA ALA A 108 10.728 -21.630 -2.588 1.00 24.40 C ATOM 1615 C ALA A 108 10.471 -21.378 -4.070 1.00 35.44 C ATOM 1616 O ALA A 108 11.325 -21.651 -4.913 1.00 62.35 O ATOM 1617 CB ALA A 108 9.829 -22.746 -2.076 1.00 11.31 C ATOM 0 H ALA A 108 9.563 -20.267 -1.502 1.00 74.30 H new ATOM 0 HA ALA A 108 11.768 -21.936 -2.474 1.00 24.40 H new ATOM 0 HB1 ALA A 108 9.992 -23.646 -2.670 1.00 11.31 H new ATOM 0 HB2 ALA A 108 10.064 -22.953 -1.032 1.00 11.31 H new ATOM 0 HB3 ALA A 108 8.786 -22.440 -2.159 1.00 11.31 H new