USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 415 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 60 MET CE :methyl -179:sc= -1.06 (180deg=-1.13) USER MOD Set 1.2: A 61 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 55 LYS NZ :NH3+ -134:sc= 0.293 (180deg=-0.126) USER MOD Set 2.2: A 56 SER OG : rot 74:sc= 1.54 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 66:sc= 1.32 USER MOD Single : A 24 SER OG : rot 69:sc= 0.601 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 59:sc= 1.26 USER MOD Single : A 34 GLN : amide:sc= -0.602 K(o=-0.6,f=-2.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 95:sc= 0.0104 USER MOD Single : A 62 THR OG1 : rot 80:sc= 1.18 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -79:sc= 0.871 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.132 USER MOD Single : A 70 GLN : amide:sc= -0.17 K(o=-0.17,f=-0.83) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 35 N LEU A 15 101.737 -7.197 17.274 1.00 0.00 N ATOM 36 CA LEU A 15 100.735 -6.140 17.348 1.00 0.00 C ATOM 37 C LEU A 15 100.742 -5.285 16.081 1.00 0.00 C ATOM 38 O LEU A 15 99.774 -4.578 15.794 1.00 0.00 O ATOM 39 CB LEU A 15 100.984 -5.260 18.576 1.00 0.00 C ATOM 40 CG LEU A 15 101.208 -6.019 19.885 1.00 0.00 C ATOM 41 CD1 LEU A 15 101.929 -5.139 20.894 1.00 0.00 C ATOM 42 CD2 LEU A 15 99.883 -6.509 20.452 1.00 0.00 C ATOM 0 HA LEU A 15 99.755 -6.609 17.437 1.00 0.00 H new ATOM 0 HB2 LEU A 15 101.855 -4.634 18.384 1.00 0.00 H new ATOM 0 HB3 LEU A 15 100.132 -4.592 18.703 1.00 0.00 H new ATOM 0 HG LEU A 15 101.834 -6.887 19.677 1.00 0.00 H new ATOM 0 HD11 LEU A 15 102.080 -5.695 21.819 1.00 0.00 H new ATOM 0 HD12 LEU A 15 102.895 -4.838 20.489 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.329 -4.252 21.097 1.00 0.00 H new ATOM 0 HD21 LEU A 15 100.062 -7.047 21.383 1.00 0.00 H new ATOM 0 HD22 LEU A 15 99.232 -5.656 20.645 1.00 0.00 H new ATOM 0 HD23 LEU A 15 99.404 -7.176 19.735 1.00 0.00 H new ATOM 54 N THR A 16 101.835 -5.354 15.324 1.00 0.00 N ATOM 55 CA THR A 16 101.965 -4.586 14.089 1.00 0.00 C ATOM 56 C THR A 16 100.896 -4.981 13.074 1.00 0.00 C ATOM 57 O THR A 16 100.528 -4.187 12.207 1.00 0.00 O ATOM 58 CB THR A 16 103.354 -4.795 13.480 1.00 0.00 C ATOM 59 OG1 THR A 16 103.505 -4.031 12.298 1.00 0.00 O ATOM 60 CG2 THR A 16 103.641 -6.239 13.130 1.00 0.00 C ATOM 0 H THR A 16 102.644 -5.935 15.545 1.00 0.00 H new ATOM 0 HA THR A 16 101.830 -3.533 14.337 1.00 0.00 H new ATOM 0 HB THR A 16 104.057 -4.475 14.249 1.00 0.00 H new ATOM 0 HG1 THR A 16 104.400 -4.178 11.926 1.00 0.00 H new ATOM 0 HG21 THR A 16 104.641 -6.318 12.703 1.00 0.00 H new ATOM 0 HG22 THR A 16 103.582 -6.850 14.030 1.00 0.00 H new ATOM 0 HG23 THR A 16 102.908 -6.590 12.404 1.00 0.00 H new ATOM 68 N GLN A 17 100.404 -6.211 13.178 1.00 0.00 N ATOM 69 CA GLN A 17 99.382 -6.704 12.262 1.00 0.00 C ATOM 70 C GLN A 17 98.158 -5.791 12.263 1.00 0.00 C ATOM 71 O GLN A 17 97.671 -5.392 11.206 1.00 0.00 O ATOM 72 CB GLN A 17 98.976 -8.133 12.634 1.00 0.00 C ATOM 73 CG GLN A 17 99.278 -9.154 11.549 1.00 0.00 C ATOM 74 CD GLN A 17 98.695 -10.520 11.851 1.00 0.00 C ATOM 75 OE1 GLN A 17 98.145 -10.749 12.928 1.00 0.00 O ATOM 76 NE2 GLN A 17 98.809 -11.437 10.897 1.00 0.00 N ATOM 0 H GLN A 17 100.696 -6.884 13.887 1.00 0.00 H new ATOM 0 HA GLN A 17 99.804 -6.707 11.257 1.00 0.00 H new ATOM 0 HB2 GLN A 17 99.494 -8.423 13.548 1.00 0.00 H new ATOM 0 HB3 GLN A 17 97.908 -8.153 12.853 1.00 0.00 H new ATOM 0 HG2 GLN A 17 98.881 -8.796 10.599 1.00 0.00 H new ATOM 0 HG3 GLN A 17 100.358 -9.243 11.430 1.00 0.00 H new ATOM 0 HE21 GLN A 17 99.273 -11.204 10.019 1.00 0.00 H new ATOM 0 HE22 GLN A 17 98.433 -12.374 11.043 1.00 0.00 H new ATOM 85 N VAL A 18 97.668 -5.461 13.454 1.00 0.00 N ATOM 86 CA VAL A 18 96.500 -4.597 13.592 1.00 0.00 C ATOM 87 C VAL A 18 96.720 -3.256 12.900 1.00 0.00 C ATOM 88 O VAL A 18 95.799 -2.694 12.308 1.00 0.00 O ATOM 89 CB VAL A 18 96.162 -4.347 15.072 1.00 0.00 C ATOM 90 CG1 VAL A 18 94.865 -3.561 15.200 1.00 0.00 C ATOM 91 CG2 VAL A 18 96.072 -5.663 15.831 1.00 0.00 C ATOM 0 H VAL A 18 98.062 -5.779 14.339 1.00 0.00 H new ATOM 0 HA VAL A 18 95.667 -5.114 13.116 1.00 0.00 H new ATOM 0 HB VAL A 18 96.964 -3.754 15.512 1.00 0.00 H new ATOM 0 HG11 VAL A 18 94.643 -3.394 16.254 1.00 0.00 H new ATOM 0 HG12 VAL A 18 94.970 -2.601 14.695 1.00 0.00 H new ATOM 0 HG13 VAL A 18 94.052 -4.124 14.743 1.00 0.00 H new ATOM 0 HG21 VAL A 18 95.832 -5.465 16.876 1.00 0.00 H new ATOM 0 HG22 VAL A 18 95.292 -6.284 15.391 1.00 0.00 H new ATOM 0 HG23 VAL A 18 97.028 -6.184 15.771 1.00 0.00 H new ATOM 101 N LYS A 19 97.947 -2.753 12.973 1.00 0.00 N ATOM 102 CA LYS A 19 98.288 -1.480 12.348 1.00 0.00 C ATOM 103 C LYS A 19 98.080 -1.559 10.846 1.00 0.00 C ATOM 104 O LYS A 19 97.302 -0.799 10.271 1.00 0.00 O ATOM 105 CB LYS A 19 99.739 -1.118 12.638 1.00 0.00 C ATOM 106 CG LYS A 19 99.987 -0.675 14.072 1.00 0.00 C ATOM 107 CD LYS A 19 99.508 0.752 14.308 1.00 0.00 C ATOM 108 CE LYS A 19 100.674 1.727 14.386 1.00 0.00 C ATOM 109 NZ LYS A 19 100.272 3.108 14.000 1.00 0.00 N ATOM 0 H LYS A 19 98.721 -3.206 13.458 1.00 0.00 H new ATOM 0 HA LYS A 19 97.637 -0.711 12.763 1.00 0.00 H new ATOM 0 HB2 LYS A 19 100.369 -1.980 12.420 1.00 0.00 H new ATOM 0 HB3 LYS A 19 100.046 -0.319 11.963 1.00 0.00 H new ATOM 0 HG2 LYS A 19 99.473 -1.350 14.756 1.00 0.00 H new ATOM 0 HG3 LYS A 19 101.051 -0.744 14.296 1.00 0.00 H new ATOM 0 HD2 LYS A 19 98.837 1.049 13.502 1.00 0.00 H new ATOM 0 HD3 LYS A 19 98.934 0.796 15.233 1.00 0.00 H new ATOM 0 HE2 LYS A 19 101.073 1.735 15.401 1.00 0.00 H new ATOM 0 HE3 LYS A 19 101.476 1.386 13.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 101.095 3.741 14.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 99.915 3.105 13.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 99.525 3.444 14.640 1.00 0.00 H new ATOM 123 N GLU A 20 98.778 -2.499 10.222 1.00 0.00 N ATOM 124 CA GLU A 20 98.667 -2.700 8.785 1.00 0.00 C ATOM 125 C GLU A 20 97.235 -3.066 8.412 1.00 0.00 C ATOM 126 O GLU A 20 96.826 -2.931 7.259 1.00 0.00 O ATOM 127 CB GLU A 20 99.627 -3.798 8.324 1.00 0.00 C ATOM 128 CG GLU A 20 101.077 -3.346 8.238 1.00 0.00 C ATOM 129 CD GLU A 20 101.611 -3.360 6.820 1.00 0.00 C ATOM 130 OE1 GLU A 20 101.156 -2.529 6.006 1.00 0.00 O ATOM 131 OE2 GLU A 20 102.483 -4.204 6.521 1.00 0.00 O ATOM 0 H GLU A 20 99.426 -3.133 10.689 1.00 0.00 H new ATOM 0 HA GLU A 20 98.934 -1.770 8.284 1.00 0.00 H new ATOM 0 HB2 GLU A 20 99.559 -4.641 9.012 1.00 0.00 H new ATOM 0 HB3 GLU A 20 99.309 -4.159 7.346 1.00 0.00 H new ATOM 0 HG2 GLU A 20 101.164 -2.338 8.645 1.00 0.00 H new ATOM 0 HG3 GLU A 20 101.693 -3.995 8.860 1.00 0.00 H new ATOM 138 N SER A 21 96.478 -3.530 9.401 1.00 0.00 N ATOM 139 CA SER A 21 95.094 -3.915 9.195 1.00 0.00 C ATOM 140 C SER A 21 94.184 -2.692 9.206 1.00 0.00 C ATOM 141 O SER A 21 93.476 -2.421 8.237 1.00 0.00 O ATOM 142 CB SER A 21 94.681 -4.887 10.292 1.00 0.00 C ATOM 143 OG SER A 21 94.104 -6.063 9.752 1.00 0.00 O ATOM 0 H SER A 21 96.807 -3.648 10.359 1.00 0.00 H new ATOM 0 HA SER A 21 94.998 -4.396 8.221 1.00 0.00 H new ATOM 0 HB2 SER A 21 95.551 -5.150 10.893 1.00 0.00 H new ATOM 0 HB3 SER A 21 93.967 -4.403 10.959 1.00 0.00 H new ATOM 0 HG SER A 21 93.851 -6.668 10.481 1.00 0.00 H new ATOM 149 N LEU A 22 94.216 -1.953 10.312 1.00 0.00 N ATOM 150 CA LEU A 22 93.401 -0.754 10.452 1.00 0.00 C ATOM 151 C LEU A 22 93.765 0.261 9.379 1.00 0.00 C ATOM 152 O LEU A 22 92.920 1.027 8.917 1.00 0.00 O ATOM 153 CB LEU A 22 93.588 -0.137 11.839 1.00 0.00 C ATOM 154 CG LEU A 22 93.206 -1.042 13.012 1.00 0.00 C ATOM 155 CD1 LEU A 22 93.540 -0.369 14.334 1.00 0.00 C ATOM 156 CD2 LEU A 22 91.729 -1.400 12.952 1.00 0.00 C ATOM 0 H LEU A 22 94.798 -2.165 11.123 1.00 0.00 H new ATOM 0 HA LEU A 22 92.355 -1.035 10.332 1.00 0.00 H new ATOM 0 HB2 LEU A 22 94.632 0.155 11.951 1.00 0.00 H new ATOM 0 HB3 LEU A 22 92.994 0.775 11.896 1.00 0.00 H new ATOM 0 HG LEU A 22 93.785 -1.963 12.939 1.00 0.00 H new ATOM 0 HD11 LEU A 22 93.262 -1.027 15.158 1.00 0.00 H new ATOM 0 HD12 LEU A 22 94.610 -0.165 14.378 1.00 0.00 H new ATOM 0 HD13 LEU A 22 92.988 0.567 14.415 1.00 0.00 H new ATOM 0 HD21 LEU A 22 91.476 -2.044 13.794 1.00 0.00 H new ATOM 0 HD22 LEU A 22 91.132 -0.489 12.999 1.00 0.00 H new ATOM 0 HD23 LEU A 22 91.519 -1.923 12.019 1.00 0.00 H new ATOM 168 N SER A 23 95.033 0.255 8.981 1.00 0.00 N ATOM 169 CA SER A 23 95.512 1.170 7.954 1.00 0.00 C ATOM 170 C SER A 23 94.833 0.877 6.624 1.00 0.00 C ATOM 171 O SER A 23 94.578 1.782 5.833 1.00 0.00 O ATOM 172 CB SER A 23 97.032 1.063 7.802 1.00 0.00 C ATOM 173 OG SER A 23 97.692 1.401 9.010 1.00 0.00 O ATOM 0 H SER A 23 95.745 -0.373 9.354 1.00 0.00 H new ATOM 0 HA SER A 23 95.264 2.186 8.260 1.00 0.00 H new ATOM 0 HB2 SER A 23 97.300 0.048 7.509 1.00 0.00 H new ATOM 0 HB3 SER A 23 97.368 1.724 7.003 1.00 0.00 H new ATOM 0 HG SER A 23 97.479 0.735 9.697 1.00 0.00 H new ATOM 178 N SER A 24 94.533 -0.397 6.392 1.00 0.00 N ATOM 179 CA SER A 24 93.873 -0.813 5.161 1.00 0.00 C ATOM 180 C SER A 24 92.458 -0.257 5.100 1.00 0.00 C ATOM 181 O SER A 24 91.956 0.081 4.028 1.00 0.00 O ATOM 182 CB SER A 24 93.833 -2.332 5.061 1.00 0.00 C ATOM 183 OG SER A 24 95.075 -2.904 5.436 1.00 0.00 O ATOM 0 H SER A 24 94.736 -1.158 7.040 1.00 0.00 H new ATOM 0 HA SER A 24 94.445 -0.419 4.321 1.00 0.00 H new ATOM 0 HB2 SER A 24 93.042 -2.721 5.703 1.00 0.00 H new ATOM 0 HB3 SER A 24 93.588 -2.625 4.040 1.00 0.00 H new ATOM 0 HG SER A 24 95.218 -2.775 6.397 1.00 0.00 H new ATOM 189 N TYR A 25 91.821 -0.152 6.264 1.00 0.00 N ATOM 190 CA TYR A 25 90.474 0.371 6.358 1.00 0.00 C ATOM 191 C TYR A 25 90.403 1.754 5.725 1.00 0.00 C ATOM 192 O TYR A 25 89.394 2.134 5.131 1.00 0.00 O ATOM 193 CB TYR A 25 90.082 0.436 7.827 1.00 0.00 C ATOM 194 CG TYR A 25 88.722 -0.152 8.129 1.00 0.00 C ATOM 195 CD1 TYR A 25 87.581 0.316 7.488 1.00 0.00 C ATOM 196 CD2 TYR A 25 88.580 -1.178 9.054 1.00 0.00 C ATOM 197 CE1 TYR A 25 86.337 -0.223 7.762 1.00 0.00 C ATOM 198 CE2 TYR A 25 87.341 -1.722 9.334 1.00 0.00 C ATOM 199 CZ TYR A 25 86.222 -1.242 8.686 1.00 0.00 C ATOM 200 OH TYR A 25 84.986 -1.784 8.962 1.00 0.00 O ATOM 0 H TYR A 25 92.227 -0.427 7.159 1.00 0.00 H new ATOM 0 HA TYR A 25 89.783 -0.280 5.823 1.00 0.00 H new ATOM 0 HB2 TYR A 25 90.833 -0.091 8.416 1.00 0.00 H new ATOM 0 HB3 TYR A 25 90.096 1.477 8.150 1.00 0.00 H new ATOM 0 HD1 TYR A 25 87.667 1.113 6.764 1.00 0.00 H new ATOM 0 HD2 TYR A 25 89.453 -1.557 9.564 1.00 0.00 H new ATOM 0 HE1 TYR A 25 85.460 0.152 7.255 1.00 0.00 H new ATOM 0 HE2 TYR A 25 87.249 -2.519 10.057 1.00 0.00 H new ATOM 0 HH TYR A 25 85.082 -2.491 9.634 1.00 0.00 H new ATOM 210 N TRP A 26 91.498 2.494 5.858 1.00 0.00 N ATOM 211 CA TRP A 26 91.597 3.840 5.304 1.00 0.00 C ATOM 212 C TRP A 26 92.502 3.862 4.073 1.00 0.00 C ATOM 213 O TRP A 26 92.491 4.824 3.306 1.00 0.00 O ATOM 214 CB TRP A 26 92.142 4.802 6.360 1.00 0.00 C ATOM 215 CG TRP A 26 91.084 5.325 7.279 1.00 0.00 C ATOM 216 CD1 TRP A 26 90.554 4.692 8.366 1.00 0.00 C ATOM 217 CD2 TRP A 26 90.418 6.588 7.186 1.00 0.00 C ATOM 218 NE1 TRP A 26 89.596 5.483 8.953 1.00 0.00 N ATOM 219 CE2 TRP A 26 89.495 6.653 8.246 1.00 0.00 C ATOM 220 CE3 TRP A 26 90.511 7.671 6.307 1.00 0.00 C ATOM 221 CZ2 TRP A 26 88.672 7.758 8.450 1.00 0.00 C ATOM 222 CZ3 TRP A 26 89.694 8.767 6.511 1.00 0.00 C ATOM 223 CH2 TRP A 26 88.785 8.803 7.575 1.00 0.00 C ATOM 0 H TRP A 26 92.336 2.182 6.349 1.00 0.00 H new ATOM 0 HA TRP A 26 90.598 4.156 5.004 1.00 0.00 H new ATOM 0 HB2 TRP A 26 92.906 4.292 6.948 1.00 0.00 H new ATOM 0 HB3 TRP A 26 92.629 5.640 5.862 1.00 0.00 H new ATOM 0 HD1 TRP A 26 90.845 3.712 8.714 1.00 0.00 H new ATOM 0 HE1 TRP A 26 89.050 5.240 9.779 1.00 0.00 H new ATOM 0 HE3 TRP A 26 91.209 7.652 5.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 87.970 7.789 9.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 89.758 9.610 5.838 1.00 0.00 H new ATOM 0 HH2 TRP A 26 88.160 9.674 7.708 1.00 0.00 H new ATOM 234 N GLU A 27 93.286 2.801 3.886 1.00 0.00 N ATOM 235 CA GLU A 27 94.195 2.719 2.747 1.00 0.00 C ATOM 236 C GLU A 27 93.442 2.896 1.435 1.00 0.00 C ATOM 237 O GLU A 27 93.908 3.589 0.530 1.00 0.00 O ATOM 238 CB GLU A 27 94.938 1.385 2.750 1.00 0.00 C ATOM 239 CG GLU A 27 96.185 1.383 1.883 1.00 0.00 C ATOM 240 CD GLU A 27 97.458 1.505 2.698 1.00 0.00 C ATOM 241 OE1 GLU A 27 97.615 2.522 3.406 1.00 0.00 O ATOM 242 OE2 GLU A 27 98.298 0.582 2.629 1.00 0.00 O ATOM 0 H GLU A 27 93.309 1.991 4.506 1.00 0.00 H new ATOM 0 HA GLU A 27 94.921 3.527 2.838 1.00 0.00 H new ATOM 0 HB2 GLU A 27 95.217 1.136 3.774 1.00 0.00 H new ATOM 0 HB3 GLU A 27 94.263 0.602 2.404 1.00 0.00 H new ATOM 0 HG2 GLU A 27 96.217 0.462 1.300 1.00 0.00 H new ATOM 0 HG3 GLU A 27 96.131 2.208 1.173 1.00 0.00 H new ATOM 249 N SER A 28 92.271 2.276 1.340 1.00 0.00 N ATOM 250 CA SER A 28 91.457 2.380 0.137 1.00 0.00 C ATOM 251 C SER A 28 91.019 3.821 -0.071 1.00 0.00 C ATOM 252 O SER A 28 90.995 4.318 -1.197 1.00 0.00 O ATOM 253 CB SER A 28 90.243 1.456 0.229 1.00 0.00 C ATOM 254 OG SER A 28 89.159 1.945 -0.541 1.00 0.00 O ATOM 0 H SER A 28 91.867 1.699 2.078 1.00 0.00 H new ATOM 0 HA SER A 28 92.055 2.069 -0.720 1.00 0.00 H new ATOM 0 HB2 SER A 28 90.516 0.459 -0.117 1.00 0.00 H new ATOM 0 HB3 SER A 28 89.936 1.359 1.270 1.00 0.00 H new ATOM 0 HG SER A 28 88.399 1.331 -0.463 1.00 0.00 H new ATOM 260 N ALA A 29 90.704 4.499 1.029 1.00 0.00 N ATOM 261 CA ALA A 29 90.304 5.894 0.965 1.00 0.00 C ATOM 262 C ALA A 29 91.455 6.716 0.408 1.00 0.00 C ATOM 263 O ALA A 29 91.254 7.669 -0.344 1.00 0.00 O ATOM 264 CB ALA A 29 89.899 6.397 2.343 1.00 0.00 C ATOM 0 H ALA A 29 90.719 4.104 1.969 1.00 0.00 H new ATOM 0 HA ALA A 29 89.440 5.994 0.308 1.00 0.00 H new ATOM 0 HB1 ALA A 29 89.602 7.444 2.276 1.00 0.00 H new ATOM 0 HB2 ALA A 29 89.062 5.806 2.715 1.00 0.00 H new ATOM 0 HB3 ALA A 29 90.742 6.302 3.027 1.00 0.00 H new ATOM 270 N LYS A 30 92.669 6.307 0.769 1.00 0.00 N ATOM 271 CA LYS A 30 93.878 6.970 0.302 1.00 0.00 C ATOM 272 C LYS A 30 94.199 6.539 -1.125 1.00 0.00 C ATOM 273 O LYS A 30 94.801 7.288 -1.894 1.00 0.00 O ATOM 274 CB LYS A 30 95.055 6.645 1.227 1.00 0.00 C ATOM 275 CG LYS A 30 95.381 7.756 2.212 1.00 0.00 C ATOM 276 CD LYS A 30 96.757 8.348 1.953 1.00 0.00 C ATOM 277 CE LYS A 30 97.788 7.827 2.943 1.00 0.00 C ATOM 278 NZ LYS A 30 98.265 6.462 2.582 1.00 0.00 N ATOM 0 H LYS A 30 92.839 5.514 1.388 1.00 0.00 H new ATOM 0 HA LYS A 30 93.710 8.047 0.315 1.00 0.00 H new ATOM 0 HB2 LYS A 30 94.829 5.734 1.782 1.00 0.00 H new ATOM 0 HB3 LYS A 30 95.937 6.439 0.620 1.00 0.00 H new ATOM 0 HG2 LYS A 30 94.627 8.540 2.139 1.00 0.00 H new ATOM 0 HG3 LYS A 30 95.338 7.366 3.229 1.00 0.00 H new ATOM 0 HD2 LYS A 30 97.072 8.106 0.938 1.00 0.00 H new ATOM 0 HD3 LYS A 30 96.704 9.435 2.020 1.00 0.00 H new ATOM 0 HE2 LYS A 30 98.636 8.511 2.977 1.00 0.00 H new ATOM 0 HE3 LYS A 30 97.354 7.807 3.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 98.966 6.143 3.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 97.460 5.804 2.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 98.702 6.485 1.639 1.00 0.00 H new ATOM 292 N THR A 31 93.783 5.323 -1.475 1.00 0.00 N ATOM 293 CA THR A 31 94.015 4.790 -2.806 1.00 0.00 C ATOM 294 C THR A 31 93.207 5.563 -3.840 1.00 0.00 C ATOM 295 O THR A 31 93.734 5.977 -4.874 1.00 0.00 O ATOM 296 CB THR A 31 93.634 3.316 -2.850 1.00 0.00 C ATOM 297 OG1 THR A 31 94.418 2.563 -1.941 1.00 0.00 O ATOM 298 CG2 THR A 31 93.800 2.703 -4.218 1.00 0.00 C ATOM 0 H THR A 31 93.283 4.691 -0.850 1.00 0.00 H new ATOM 0 HA THR A 31 95.074 4.895 -3.041 1.00 0.00 H new ATOM 0 HB THR A 31 92.579 3.281 -2.577 1.00 0.00 H new ATOM 0 HG1 THR A 31 94.284 2.905 -1.032 1.00 0.00 H new ATOM 0 HG21 THR A 31 93.512 1.652 -4.183 1.00 0.00 H new ATOM 0 HG22 THR A 31 93.166 3.229 -4.932 1.00 0.00 H new ATOM 0 HG23 THR A 31 94.842 2.784 -4.529 1.00 0.00 H new ATOM 306 N ALA A 32 91.925 5.768 -3.548 1.00 0.00 N ATOM 307 CA ALA A 32 91.050 6.508 -4.448 1.00 0.00 C ATOM 308 C ALA A 32 91.634 7.884 -4.733 1.00 0.00 C ATOM 309 O ALA A 32 91.321 8.513 -5.743 1.00 0.00 O ATOM 310 CB ALA A 32 89.653 6.631 -3.854 1.00 0.00 C ATOM 0 H ALA A 32 91.472 5.433 -2.698 1.00 0.00 H new ATOM 0 HA ALA A 32 90.973 5.961 -5.388 1.00 0.00 H new ATOM 0 HB1 ALA A 32 89.014 7.187 -4.540 1.00 0.00 H new ATOM 0 HB2 ALA A 32 89.237 5.636 -3.695 1.00 0.00 H new ATOM 0 HB3 ALA A 32 89.708 7.158 -2.902 1.00 0.00 H new ATOM 316 N ALA A 33 92.502 8.337 -3.831 1.00 0.00 N ATOM 317 CA ALA A 33 93.151 9.631 -3.974 1.00 0.00 C ATOM 318 C ALA A 33 94.327 9.534 -4.938 1.00 0.00 C ATOM 319 O ALA A 33 94.632 10.484 -5.659 1.00 0.00 O ATOM 320 CB ALA A 33 93.615 10.144 -2.619 1.00 0.00 C ATOM 0 H ALA A 33 92.770 7.823 -2.992 1.00 0.00 H new ATOM 0 HA ALA A 33 92.428 10.337 -4.382 1.00 0.00 H new ATOM 0 HB1 ALA A 33 94.099 11.113 -2.743 1.00 0.00 H new ATOM 0 HB2 ALA A 33 92.756 10.249 -1.956 1.00 0.00 H new ATOM 0 HB3 ALA A 33 94.323 9.438 -2.186 1.00 0.00 H new ATOM 326 N GLN A 34 94.979 8.376 -4.950 1.00 0.00 N ATOM 327 CA GLN A 34 96.120 8.153 -5.831 1.00 0.00 C ATOM 328 C GLN A 34 95.664 8.053 -7.279 1.00 0.00 C ATOM 329 O GLN A 34 96.373 8.455 -8.196 1.00 0.00 O ATOM 330 CB GLN A 34 96.861 6.879 -5.424 1.00 0.00 C ATOM 331 CG GLN A 34 98.010 7.118 -4.456 1.00 0.00 C ATOM 332 CD GLN A 34 98.072 6.073 -3.358 1.00 0.00 C ATOM 333 OE1 GLN A 34 97.416 5.035 -3.436 1.00 0.00 O ATOM 334 NE2 GLN A 34 98.867 6.341 -2.327 1.00 0.00 N ATOM 0 H GLN A 34 94.738 7.579 -4.361 1.00 0.00 H new ATOM 0 HA GLN A 34 96.799 9.001 -5.738 1.00 0.00 H new ATOM 0 HB2 GLN A 34 96.152 6.188 -4.968 1.00 0.00 H new ATOM 0 HB3 GLN A 34 97.248 6.393 -6.320 1.00 0.00 H new ATOM 0 HG2 GLN A 34 98.951 7.118 -5.007 1.00 0.00 H new ATOM 0 HG3 GLN A 34 97.903 8.106 -4.007 1.00 0.00 H new ATOM 0 HE21 GLN A 34 99.393 7.214 -2.302 1.00 0.00 H new ATOM 0 HE22 GLN A 34 98.951 5.673 -1.560 1.00 0.00 H new ATOM 528 N ASP A 46 107.845 3.266 -13.950 1.00 0.00 N ATOM 529 CA ASP A 46 109.225 3.203 -14.423 1.00 0.00 C ATOM 530 C ASP A 46 109.996 2.081 -13.731 1.00 0.00 C ATOM 531 O ASP A 46 111.070 1.684 -14.184 1.00 0.00 O ATOM 532 CB ASP A 46 109.927 4.544 -14.183 1.00 0.00 C ATOM 533 CG ASP A 46 111.191 4.691 -15.007 1.00 0.00 C ATOM 534 OD1 ASP A 46 111.116 4.532 -16.243 1.00 0.00 O ATOM 535 OD2 ASP A 46 112.256 4.968 -14.414 1.00 0.00 O ATOM 0 HA ASP A 46 109.205 2.993 -15.492 1.00 0.00 H new ATOM 0 HB2 ASP A 46 109.243 5.357 -14.424 1.00 0.00 H new ATOM 0 HB3 ASP A 46 110.173 4.638 -13.125 1.00 0.00 H new ATOM 540 N GLU A 47 109.446 1.572 -12.632 1.00 0.00 N ATOM 541 CA GLU A 47 110.090 0.499 -11.885 1.00 0.00 C ATOM 542 C GLU A 47 109.823 -0.857 -12.524 1.00 0.00 C ATOM 543 O GLU A 47 110.752 -1.612 -12.810 1.00 0.00 O ATOM 544 CB GLU A 47 109.594 0.481 -10.446 1.00 0.00 C ATOM 545 CG GLU A 47 110.295 1.483 -9.541 1.00 0.00 C ATOM 546 CD GLU A 47 110.179 2.907 -10.045 1.00 0.00 C ATOM 547 OE1 GLU A 47 110.971 3.291 -10.932 1.00 0.00 O ATOM 548 OE2 GLU A 47 109.293 3.639 -9.556 1.00 0.00 O ATOM 0 H GLU A 47 108.558 1.885 -12.241 1.00 0.00 H new ATOM 0 HA GLU A 47 111.163 0.688 -11.900 1.00 0.00 H new ATOM 0 HB2 GLU A 47 108.523 0.686 -10.438 1.00 0.00 H new ATOM 0 HB3 GLU A 47 109.730 -0.520 -10.037 1.00 0.00 H new ATOM 0 HG2 GLU A 47 109.870 1.421 -8.539 1.00 0.00 H new ATOM 0 HG3 GLU A 47 111.349 1.216 -9.458 1.00 0.00 H new ATOM 555 N LYS A 48 108.549 -1.163 -12.747 1.00 0.00 N ATOM 556 CA LYS A 48 108.164 -2.433 -13.355 1.00 0.00 C ATOM 557 C LYS A 48 108.927 -2.654 -14.653 1.00 0.00 C ATOM 558 O LYS A 48 109.397 -3.756 -14.934 1.00 0.00 O ATOM 559 CB LYS A 48 106.659 -2.458 -13.623 1.00 0.00 C ATOM 560 CG LYS A 48 106.141 -3.821 -14.053 1.00 0.00 C ATOM 561 CD LYS A 48 106.304 -4.853 -12.948 1.00 0.00 C ATOM 562 CE LYS A 48 107.456 -5.803 -13.237 1.00 0.00 C ATOM 563 NZ LYS A 48 106.985 -7.078 -13.847 1.00 0.00 N ATOM 0 H LYS A 48 107.766 -0.551 -12.517 1.00 0.00 H new ATOM 0 HA LYS A 48 108.413 -3.236 -12.661 1.00 0.00 H new ATOM 0 HB2 LYS A 48 106.132 -2.146 -12.721 1.00 0.00 H new ATOM 0 HB3 LYS A 48 106.424 -1.728 -14.398 1.00 0.00 H new ATOM 0 HG2 LYS A 48 105.089 -3.742 -14.326 1.00 0.00 H new ATOM 0 HG3 LYS A 48 106.677 -4.151 -14.943 1.00 0.00 H new ATOM 0 HD2 LYS A 48 106.478 -4.346 -11.999 1.00 0.00 H new ATOM 0 HD3 LYS A 48 105.380 -5.422 -12.841 1.00 0.00 H new ATOM 0 HE2 LYS A 48 108.165 -5.320 -13.909 1.00 0.00 H new ATOM 0 HE3 LYS A 48 107.990 -6.019 -12.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 107.800 -7.698 -14.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 106.328 -7.552 -13.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 106.498 -6.875 -14.743 1.00 0.00 H new ATOM 577 N LEU A 49 109.046 -1.593 -15.436 1.00 0.00 N ATOM 578 CA LEU A 49 109.754 -1.654 -16.704 1.00 0.00 C ATOM 579 C LEU A 49 111.264 -1.540 -16.498 1.00 0.00 C ATOM 580 O LEU A 49 112.044 -1.867 -17.391 1.00 0.00 O ATOM 581 CB LEU A 49 109.253 -0.543 -17.631 1.00 0.00 C ATOM 582 CG LEU A 49 109.896 0.832 -17.428 1.00 0.00 C ATOM 583 CD1 LEU A 49 111.227 0.913 -18.158 1.00 0.00 C ATOM 584 CD2 LEU A 49 108.959 1.934 -17.904 1.00 0.00 C ATOM 0 H LEU A 49 108.659 -0.676 -15.214 1.00 0.00 H new ATOM 0 HA LEU A 49 109.554 -2.621 -17.165 1.00 0.00 H new ATOM 0 HB2 LEU A 49 109.420 -0.853 -18.663 1.00 0.00 H new ATOM 0 HB3 LEU A 49 108.176 -0.443 -17.499 1.00 0.00 H new ATOM 0 HG LEU A 49 110.080 0.971 -16.363 1.00 0.00 H new ATOM 0 HD11 LEU A 49 111.668 1.897 -18.002 1.00 0.00 H new ATOM 0 HD12 LEU A 49 111.901 0.148 -17.772 1.00 0.00 H new ATOM 0 HD13 LEU A 49 111.068 0.752 -19.224 1.00 0.00 H new ATOM 0 HD21 LEU A 49 109.432 2.904 -17.752 1.00 0.00 H new ATOM 0 HD22 LEU A 49 108.744 1.797 -18.964 1.00 0.00 H new ATOM 0 HD23 LEU A 49 108.029 1.891 -17.337 1.00 0.00 H new ATOM 596 N ARG A 50 111.672 -1.072 -15.318 1.00 0.00 N ATOM 597 CA ARG A 50 113.091 -0.921 -15.011 1.00 0.00 C ATOM 598 C ARG A 50 113.387 -1.369 -13.582 1.00 0.00 C ATOM 599 O ARG A 50 113.906 -0.602 -12.771 1.00 0.00 O ATOM 600 CB ARG A 50 113.523 0.534 -15.215 1.00 0.00 C ATOM 601 CG ARG A 50 114.732 0.689 -16.123 1.00 0.00 C ATOM 602 CD ARG A 50 115.588 1.874 -15.711 1.00 0.00 C ATOM 603 NE ARG A 50 116.264 2.485 -16.854 1.00 0.00 N ATOM 604 CZ ARG A 50 117.248 1.900 -17.535 1.00 0.00 C ATOM 605 NH1 ARG A 50 117.670 0.687 -17.197 1.00 0.00 N ATOM 606 NH2 ARG A 50 117.809 2.527 -18.560 1.00 0.00 N ATOM 0 H ARG A 50 111.043 -0.793 -14.565 1.00 0.00 H new ATOM 0 HA ARG A 50 113.660 -1.555 -15.691 1.00 0.00 H new ATOM 0 HB2 ARG A 50 112.689 1.096 -15.635 1.00 0.00 H new ATOM 0 HB3 ARG A 50 113.749 0.976 -14.245 1.00 0.00 H new ATOM 0 HG2 ARG A 50 115.330 -0.222 -16.093 1.00 0.00 H new ATOM 0 HG3 ARG A 50 114.401 0.819 -17.153 1.00 0.00 H new ATOM 0 HD2 ARG A 50 114.963 2.619 -15.219 1.00 0.00 H new ATOM 0 HD3 ARG A 50 116.330 1.549 -14.982 1.00 0.00 H new ATOM 0 HE ARG A 50 115.964 3.415 -17.148 1.00 0.00 H new ATOM 0 HH11 ARG A 50 117.240 0.198 -16.412 1.00 0.00 H new ATOM 0 HH12 ARG A 50 118.424 0.244 -17.723 1.00 0.00 H new ATOM 0 HH21 ARG A 50 117.487 3.457 -18.827 1.00 0.00 H new ATOM 0 HH22 ARG A 50 118.563 2.079 -19.081 1.00 0.00 H new ATOM 620 N ASP A 51 113.050 -2.619 -13.281 1.00 0.00 N ATOM 621 CA ASP A 51 113.274 -3.174 -11.950 1.00 0.00 C ATOM 622 C ASP A 51 114.326 -4.276 -11.987 1.00 0.00 C ATOM 623 O ASP A 51 115.313 -4.228 -11.258 1.00 0.00 O ATOM 624 CB ASP A 51 111.964 -3.720 -11.374 1.00 0.00 C ATOM 625 CG ASP A 51 111.483 -2.919 -10.181 1.00 0.00 C ATOM 626 OD1 ASP A 51 111.636 -1.680 -10.198 1.00 0.00 O ATOM 627 OD2 ASP A 51 110.951 -3.530 -9.230 1.00 0.00 O ATOM 0 H ASP A 51 112.621 -3.267 -13.941 1.00 0.00 H new ATOM 0 HA ASP A 51 113.639 -2.372 -11.308 1.00 0.00 H new ATOM 0 HB2 ASP A 51 111.197 -3.710 -12.149 1.00 0.00 H new ATOM 0 HB3 ASP A 51 112.105 -4.760 -11.078 1.00 0.00 H new ATOM 632 N LEU A 52 114.108 -5.269 -12.844 1.00 0.00 N ATOM 633 CA LEU A 52 115.038 -6.389 -12.977 1.00 0.00 C ATOM 634 C LEU A 52 116.476 -5.894 -13.093 1.00 0.00 C ATOM 635 O LEU A 52 117.406 -6.527 -12.594 1.00 0.00 O ATOM 636 CB LEU A 52 114.670 -7.230 -14.200 1.00 0.00 C ATOM 637 CG LEU A 52 114.356 -6.427 -15.465 1.00 0.00 C ATOM 638 CD1 LEU A 52 115.570 -6.370 -16.379 1.00 0.00 C ATOM 639 CD2 LEU A 52 113.165 -7.025 -16.197 1.00 0.00 C ATOM 0 H LEU A 52 113.295 -5.322 -13.458 1.00 0.00 H new ATOM 0 HA LEU A 52 114.963 -7.006 -12.082 1.00 0.00 H new ATOM 0 HB2 LEU A 52 115.493 -7.911 -14.415 1.00 0.00 H new ATOM 0 HB3 LEU A 52 113.804 -7.844 -13.953 1.00 0.00 H new ATOM 0 HG LEU A 52 114.102 -5.409 -15.169 1.00 0.00 H new ATOM 0 HD11 LEU A 52 115.326 -5.795 -17.272 1.00 0.00 H new ATOM 0 HD12 LEU A 52 116.398 -5.893 -15.855 1.00 0.00 H new ATOM 0 HD13 LEU A 52 115.857 -7.382 -16.666 1.00 0.00 H new ATOM 0 HD21 LEU A 52 112.958 -6.440 -17.093 1.00 0.00 H new ATOM 0 HD22 LEU A 52 113.390 -8.054 -16.479 1.00 0.00 H new ATOM 0 HD23 LEU A 52 112.292 -7.011 -15.544 1.00 0.00 H new ATOM 651 N TYR A 53 116.644 -4.753 -13.749 1.00 0.00 N ATOM 652 CA TYR A 53 117.964 -4.157 -13.939 1.00 0.00 C ATOM 653 C TYR A 53 118.418 -3.408 -12.691 1.00 0.00 C ATOM 654 O TYR A 53 119.485 -3.683 -12.142 1.00 0.00 O ATOM 655 CB TYR A 53 117.934 -3.196 -15.127 1.00 0.00 C ATOM 656 CG TYR A 53 119.222 -3.189 -15.921 1.00 0.00 C ATOM 657 CD1 TYR A 53 119.649 -4.327 -16.594 1.00 0.00 C ATOM 658 CD2 TYR A 53 120.018 -2.053 -15.980 1.00 0.00 C ATOM 659 CE1 TYR A 53 120.835 -4.332 -17.304 1.00 0.00 C ATOM 660 CE2 TYR A 53 121.204 -2.049 -16.692 1.00 0.00 C ATOM 661 CZ TYR A 53 121.608 -3.191 -17.351 1.00 0.00 C ATOM 662 OH TYR A 53 122.790 -3.191 -18.057 1.00 0.00 O ATOM 0 H TYR A 53 115.880 -4.218 -14.161 1.00 0.00 H new ATOM 0 HA TYR A 53 118.672 -4.963 -14.133 1.00 0.00 H new ATOM 0 HB2 TYR A 53 117.110 -3.469 -15.786 1.00 0.00 H new ATOM 0 HB3 TYR A 53 117.732 -2.188 -14.765 1.00 0.00 H new ATOM 0 HD1 TYR A 53 119.045 -5.222 -16.562 1.00 0.00 H new ATOM 0 HD2 TYR A 53 119.706 -1.158 -15.462 1.00 0.00 H new ATOM 0 HE1 TYR A 53 121.155 -5.225 -17.820 1.00 0.00 H new ATOM 0 HE2 TYR A 53 121.810 -1.156 -16.732 1.00 0.00 H new ATOM 0 HH TYR A 53 123.211 -2.309 -17.989 1.00 0.00 H new ATOM 672 N SER A 54 117.601 -2.455 -12.252 1.00 0.00 N ATOM 673 CA SER A 54 117.918 -1.650 -11.072 1.00 0.00 C ATOM 674 C SER A 54 117.571 -2.375 -9.775 1.00 0.00 C ATOM 675 O SER A 54 117.473 -1.754 -8.717 1.00 0.00 O ATOM 676 CB SER A 54 117.185 -0.309 -11.134 1.00 0.00 C ATOM 677 OG SER A 54 117.977 0.680 -11.770 1.00 0.00 O ATOM 0 H SER A 54 116.713 -2.220 -12.695 1.00 0.00 H new ATOM 0 HA SER A 54 118.994 -1.477 -11.076 1.00 0.00 H new ATOM 0 HB2 SER A 54 116.246 -0.430 -11.674 1.00 0.00 H new ATOM 0 HB3 SER A 54 116.932 0.017 -10.125 1.00 0.00 H new ATOM 0 HG SER A 54 117.484 1.526 -11.797 1.00 0.00 H new ATOM 683 N LYS A 55 117.404 -3.690 -9.854 1.00 0.00 N ATOM 684 CA LYS A 55 117.089 -4.494 -8.676 1.00 0.00 C ATOM 685 C LYS A 55 118.173 -5.539 -8.436 1.00 0.00 C ATOM 686 O LYS A 55 118.386 -5.977 -7.308 1.00 0.00 O ATOM 687 CB LYS A 55 115.731 -5.179 -8.833 1.00 0.00 C ATOM 688 CG LYS A 55 115.326 -6.003 -7.622 1.00 0.00 C ATOM 689 CD LYS A 55 114.506 -7.218 -8.023 1.00 0.00 C ATOM 690 CE LYS A 55 115.396 -8.413 -8.324 1.00 0.00 C ATOM 691 NZ LYS A 55 115.559 -8.631 -9.788 1.00 0.00 N ATOM 0 H LYS A 55 117.481 -4.223 -10.720 1.00 0.00 H new ATOM 0 HA LYS A 55 117.045 -3.827 -7.815 1.00 0.00 H new ATOM 0 HB2 LYS A 55 114.970 -4.421 -9.018 1.00 0.00 H new ATOM 0 HB3 LYS A 55 115.758 -5.825 -9.710 1.00 0.00 H new ATOM 0 HG2 LYS A 55 116.218 -6.326 -7.086 1.00 0.00 H new ATOM 0 HG3 LYS A 55 114.748 -5.383 -6.936 1.00 0.00 H new ATOM 0 HD2 LYS A 55 113.813 -7.472 -7.221 1.00 0.00 H new ATOM 0 HD3 LYS A 55 113.905 -6.980 -8.901 1.00 0.00 H new ATOM 0 HE2 LYS A 55 116.375 -8.260 -7.869 1.00 0.00 H new ATOM 0 HE3 LYS A 55 114.969 -9.307 -7.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 115.431 -9.640 -10.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 114.848 -8.073 -10.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 116.512 -8.332 -10.080 1.00 0.00 H new ATOM 705 N SER A 56 118.861 -5.929 -9.504 1.00 0.00 N ATOM 706 CA SER A 56 119.927 -6.917 -9.402 1.00 0.00 C ATOM 707 C SER A 56 121.302 -6.270 -9.563 1.00 0.00 C ATOM 708 O SER A 56 122.322 -6.959 -9.543 1.00 0.00 O ATOM 709 CB SER A 56 119.743 -8.008 -10.454 1.00 0.00 C ATOM 710 OG SER A 56 118.388 -8.104 -10.861 1.00 0.00 O ATOM 0 H SER A 56 118.700 -5.577 -10.447 1.00 0.00 H new ATOM 0 HA SER A 56 119.872 -7.362 -8.408 1.00 0.00 H new ATOM 0 HB2 SER A 56 120.371 -7.793 -11.319 1.00 0.00 H new ATOM 0 HB3 SER A 56 120.073 -8.965 -10.051 1.00 0.00 H new ATOM 0 HG SER A 56 118.163 -7.339 -11.431 1.00 0.00 H new ATOM 716 N THR A 57 121.328 -4.948 -9.726 1.00 0.00 N ATOM 717 CA THR A 57 122.587 -4.227 -9.890 1.00 0.00 C ATOM 718 C THR A 57 122.746 -3.146 -8.823 1.00 0.00 C ATOM 719 O THR A 57 123.865 -2.807 -8.437 1.00 0.00 O ATOM 720 CB THR A 57 122.669 -3.597 -11.283 1.00 0.00 C ATOM 721 OG1 THR A 57 122.527 -4.584 -12.289 1.00 0.00 O ATOM 722 CG2 THR A 57 123.974 -2.872 -11.536 1.00 0.00 C ATOM 0 H THR A 57 120.496 -4.358 -9.748 1.00 0.00 H new ATOM 0 HA THR A 57 123.398 -4.947 -9.776 1.00 0.00 H new ATOM 0 HB THR A 57 121.855 -2.873 -11.320 1.00 0.00 H new ATOM 0 HG1 THR A 57 121.591 -4.625 -12.577 1.00 0.00 H new ATOM 0 HG21 THR A 57 123.967 -2.449 -12.541 1.00 0.00 H new ATOM 0 HG22 THR A 57 124.093 -2.071 -10.806 1.00 0.00 H new ATOM 0 HG23 THR A 57 124.804 -3.573 -11.444 1.00 0.00 H new ATOM 730 N ALA A 58 121.625 -2.603 -8.353 1.00 0.00 N ATOM 731 CA ALA A 58 121.654 -1.555 -7.336 1.00 0.00 C ATOM 732 C ALA A 58 121.064 -2.041 -6.019 1.00 0.00 C ATOM 733 O ALA A 58 121.613 -1.776 -4.950 1.00 0.00 O ATOM 734 CB ALA A 58 120.911 -0.325 -7.831 1.00 0.00 C ATOM 0 H ALA A 58 120.689 -2.870 -8.659 1.00 0.00 H new ATOM 0 HA ALA A 58 122.696 -1.291 -7.153 1.00 0.00 H new ATOM 0 HB1 ALA A 58 120.939 0.450 -7.065 1.00 0.00 H new ATOM 0 HB2 ALA A 58 121.386 0.046 -8.739 1.00 0.00 H new ATOM 0 HB3 ALA A 58 119.875 -0.587 -8.044 1.00 0.00 H new ATOM 740 N ALA A 59 119.947 -2.755 -6.096 1.00 0.00 N ATOM 741 CA ALA A 59 119.301 -3.273 -4.896 1.00 0.00 C ATOM 742 C ALA A 59 120.133 -4.377 -4.244 1.00 0.00 C ATOM 743 O ALA A 59 119.833 -4.812 -3.133 1.00 0.00 O ATOM 744 CB ALA A 59 117.904 -3.782 -5.217 1.00 0.00 C ATOM 0 H ALA A 59 119.473 -2.987 -6.969 1.00 0.00 H new ATOM 0 HA ALA A 59 119.220 -2.451 -4.184 1.00 0.00 H new ATOM 0 HB1 ALA A 59 117.438 -4.164 -4.309 1.00 0.00 H new ATOM 0 HB2 ALA A 59 117.302 -2.966 -5.617 1.00 0.00 H new ATOM 0 HB3 ALA A 59 117.969 -4.581 -5.956 1.00 0.00 H new ATOM 750 N MET A 60 121.180 -4.830 -4.935 1.00 0.00 N ATOM 751 CA MET A 60 122.042 -5.880 -4.401 1.00 0.00 C ATOM 752 C MET A 60 123.281 -5.284 -3.741 1.00 0.00 C ATOM 753 O MET A 60 123.764 -5.792 -2.729 1.00 0.00 O ATOM 754 CB MET A 60 122.457 -6.853 -5.508 1.00 0.00 C ATOM 755 CG MET A 60 123.292 -6.217 -6.609 1.00 0.00 C ATOM 756 SD MET A 60 124.841 -7.093 -6.910 1.00 0.00 S ATOM 757 CE MET A 60 125.592 -7.023 -5.285 1.00 0.00 C ATOM 0 H MET A 60 121.448 -4.488 -5.858 1.00 0.00 H new ATOM 0 HA MET A 60 121.475 -6.426 -3.647 1.00 0.00 H new ATOM 0 HB2 MET A 60 123.023 -7.672 -5.064 1.00 0.00 H new ATOM 0 HB3 MET A 60 121.561 -7.287 -5.951 1.00 0.00 H new ATOM 0 HG2 MET A 60 122.710 -6.191 -7.530 1.00 0.00 H new ATOM 0 HG3 MET A 60 123.511 -5.183 -6.341 1.00 0.00 H new ATOM 0 HE1 MET A 60 126.567 -7.509 -5.314 1.00 0.00 H new ATOM 0 HE2 MET A 60 125.714 -5.982 -4.985 1.00 0.00 H new ATOM 0 HE3 MET A 60 124.953 -7.535 -4.566 1.00 0.00 H new ATOM 767 N SER A 61 123.787 -4.203 -4.321 1.00 0.00 N ATOM 768 CA SER A 61 124.968 -3.530 -3.797 1.00 0.00 C ATOM 769 C SER A 61 124.570 -2.402 -2.850 1.00 0.00 C ATOM 770 O SER A 61 125.239 -2.152 -1.847 1.00 0.00 O ATOM 771 CB SER A 61 125.813 -2.977 -4.948 1.00 0.00 C ATOM 772 OG SER A 61 127.049 -3.663 -5.049 1.00 0.00 O ATOM 0 H SER A 61 123.395 -3.772 -5.159 1.00 0.00 H new ATOM 0 HA SER A 61 125.559 -4.256 -3.239 1.00 0.00 H new ATOM 0 HB2 SER A 61 125.264 -3.071 -5.885 1.00 0.00 H new ATOM 0 HB3 SER A 61 125.995 -1.914 -4.791 1.00 0.00 H new ATOM 0 HG SER A 61 127.569 -3.292 -5.792 1.00 0.00 H new ATOM 778 N THR A 62 123.475 -1.725 -3.179 1.00 0.00 N ATOM 779 CA THR A 62 122.980 -0.623 -2.364 1.00 0.00 C ATOM 780 C THR A 62 122.192 -1.136 -1.160 1.00 0.00 C ATOM 781 O THR A 62 121.837 -0.364 -0.269 1.00 0.00 O ATOM 782 CB THR A 62 122.096 0.299 -3.205 1.00 0.00 C ATOM 783 OG1 THR A 62 122.680 0.533 -4.475 1.00 0.00 O ATOM 784 CG2 THR A 62 121.848 1.645 -2.561 1.00 0.00 C ATOM 0 H THR A 62 122.912 -1.921 -4.007 1.00 0.00 H new ATOM 0 HA THR A 62 123.841 -0.064 -1.997 1.00 0.00 H new ATOM 0 HB THR A 62 121.143 -0.222 -3.297 1.00 0.00 H new ATOM 0 HG1 THR A 62 122.503 -0.231 -5.062 1.00 0.00 H new ATOM 0 HG21 THR A 62 121.214 2.248 -3.211 1.00 0.00 H new ATOM 0 HG22 THR A 62 121.352 1.503 -1.601 1.00 0.00 H new ATOM 0 HG23 THR A 62 122.799 2.155 -2.406 1.00 0.00 H new ATOM 792 N TYR A 63 121.930 -2.441 -1.131 1.00 0.00 N ATOM 793 CA TYR A 63 121.195 -3.049 -0.039 1.00 0.00 C ATOM 794 C TYR A 63 121.986 -2.943 1.250 1.00 0.00 C ATOM 795 O TYR A 63 121.418 -2.819 2.335 1.00 0.00 O ATOM 796 CB TYR A 63 120.929 -4.506 -0.370 1.00 0.00 C ATOM 797 CG TYR A 63 119.484 -4.917 -0.210 1.00 0.00 C ATOM 798 CD1 TYR A 63 118.467 -4.217 -0.847 1.00 0.00 C ATOM 799 CD2 TYR A 63 119.135 -6.001 0.585 1.00 0.00 C ATOM 800 CE1 TYR A 63 117.143 -4.586 -0.696 1.00 0.00 C ATOM 801 CE2 TYR A 63 117.816 -6.378 0.738 1.00 0.00 C ATOM 802 CZ TYR A 63 116.824 -5.667 0.097 1.00 0.00 C ATOM 803 OH TYR A 63 115.508 -6.036 0.251 1.00 0.00 O ATOM 0 H TYR A 63 122.220 -3.095 -1.858 1.00 0.00 H new ATOM 0 HA TYR A 63 120.248 -2.526 0.095 1.00 0.00 H new ATOM 0 HB2 TYR A 63 121.239 -4.697 -1.397 1.00 0.00 H new ATOM 0 HB3 TYR A 63 121.548 -5.133 0.272 1.00 0.00 H new ATOM 0 HD1 TYR A 63 118.715 -3.371 -1.470 1.00 0.00 H new ATOM 0 HD2 TYR A 63 119.909 -6.558 1.092 1.00 0.00 H new ATOM 0 HE1 TYR A 63 116.364 -4.030 -1.196 1.00 0.00 H new ATOM 0 HE2 TYR A 63 117.562 -7.226 1.357 1.00 0.00 H new ATOM 0 HH TYR A 63 115.454 -6.817 0.840 1.00 0.00 H new ATOM 813 N THR A 64 123.308 -2.971 1.118 1.00 0.00 N ATOM 814 CA THR A 64 124.186 -2.852 2.274 1.00 0.00 C ATOM 815 C THR A 64 123.855 -1.577 3.034 1.00 0.00 C ATOM 816 O THR A 64 124.089 -1.470 4.238 1.00 0.00 O ATOM 817 CB THR A 64 125.654 -2.849 1.844 1.00 0.00 C ATOM 818 OG1 THR A 64 125.900 -1.832 0.887 1.00 0.00 O ATOM 819 CG2 THR A 64 126.104 -4.165 1.243 1.00 0.00 C ATOM 0 H THR A 64 123.792 -3.075 0.226 1.00 0.00 H new ATOM 0 HA THR A 64 124.028 -3.712 2.926 1.00 0.00 H new ATOM 0 HB THR A 64 126.220 -2.672 2.759 1.00 0.00 H new ATOM 0 HG1 THR A 64 125.589 -2.129 0.006 1.00 0.00 H new ATOM 0 HG21 THR A 64 127.154 -4.095 0.959 1.00 0.00 H new ATOM 0 HG22 THR A 64 125.978 -4.962 1.976 1.00 0.00 H new ATOM 0 HG23 THR A 64 125.504 -4.386 0.360 1.00 0.00 H new ATOM 827 N GLY A 65 123.282 -0.623 2.312 1.00 0.00 N ATOM 828 CA GLY A 65 122.886 0.632 2.909 1.00 0.00 C ATOM 829 C GLY A 65 121.450 0.584 3.390 1.00 0.00 C ATOM 830 O GLY A 65 121.067 1.320 4.300 1.00 0.00 O ATOM 0 H GLY A 65 123.084 -0.700 1.314 1.00 0.00 H new ATOM 0 HA2 GLY A 65 123.545 0.863 3.746 1.00 0.00 H new ATOM 0 HA3 GLY A 65 123.001 1.436 2.182 1.00 0.00 H new ATOM 834 N ILE A 66 120.653 -0.297 2.780 1.00 0.00 N ATOM 835 CA ILE A 66 119.254 -0.449 3.161 1.00 0.00 C ATOM 836 C ILE A 66 119.107 -1.447 4.305 1.00 0.00 C ATOM 837 O ILE A 66 118.019 -1.627 4.849 1.00 0.00 O ATOM 838 CB ILE A 66 118.384 -0.907 1.972 1.00 0.00 C ATOM 839 CG1 ILE A 66 118.779 -0.154 0.700 1.00 0.00 C ATOM 840 CG2 ILE A 66 116.912 -0.690 2.283 1.00 0.00 C ATOM 841 CD1 ILE A 66 118.673 1.349 0.832 1.00 0.00 C ATOM 0 H ILE A 66 120.955 -0.912 2.024 1.00 0.00 H new ATOM 0 HA ILE A 66 118.907 0.532 3.487 1.00 0.00 H new ATOM 0 HB ILE A 66 118.551 -1.971 1.808 1.00 0.00 H new ATOM 0 HG12 ILE A 66 119.803 -0.416 0.435 1.00 0.00 H new ATOM 0 HG13 ILE A 66 118.143 -0.485 -0.121 1.00 0.00 H new ATOM 0 HG21 ILE A 66 116.309 -1.017 1.436 1.00 0.00 H new ATOM 0 HG22 ILE A 66 116.638 -1.266 3.167 1.00 0.00 H new ATOM 0 HG23 ILE A 66 116.732 0.369 2.469 1.00 0.00 H new ATOM 0 HD11 ILE A 66 118.968 1.818 -0.106 1.00 0.00 H new ATOM 0 HD12 ILE A 66 117.644 1.622 1.067 1.00 0.00 H new ATOM 0 HD13 ILE A 66 119.330 1.691 1.631 1.00 0.00 H new ATOM 853 N PHE A 67 120.210 -2.093 4.671 1.00 0.00 N ATOM 854 CA PHE A 67 120.200 -3.060 5.752 1.00 0.00 C ATOM 855 C PHE A 67 119.958 -2.369 7.087 1.00 0.00 C ATOM 856 O PHE A 67 119.150 -2.817 7.900 1.00 0.00 O ATOM 857 CB PHE A 67 121.531 -3.798 5.773 1.00 0.00 C ATOM 858 CG PHE A 67 121.397 -5.278 5.998 1.00 0.00 C ATOM 859 CD1 PHE A 67 121.411 -5.800 7.282 1.00 0.00 C ATOM 860 CD2 PHE A 67 121.257 -6.147 4.927 1.00 0.00 C ATOM 861 CE1 PHE A 67 121.286 -7.160 7.494 1.00 0.00 C ATOM 862 CE2 PHE A 67 121.133 -7.507 5.133 1.00 0.00 C ATOM 863 CZ PHE A 67 121.147 -8.014 6.418 1.00 0.00 C ATOM 0 H PHE A 67 121.121 -1.961 4.231 1.00 0.00 H new ATOM 0 HA PHE A 67 119.391 -3.772 5.589 1.00 0.00 H new ATOM 0 HB2 PHE A 67 122.046 -3.628 4.827 1.00 0.00 H new ATOM 0 HB3 PHE A 67 122.159 -3.375 6.558 1.00 0.00 H new ATOM 0 HD1 PHE A 67 121.521 -5.136 8.127 1.00 0.00 H new ATOM 0 HD2 PHE A 67 121.245 -5.756 3.920 1.00 0.00 H new ATOM 0 HE1 PHE A 67 121.297 -7.554 8.499 1.00 0.00 H new ATOM 0 HE2 PHE A 67 121.025 -8.174 4.290 1.00 0.00 H new ATOM 0 HZ PHE A 67 121.049 -9.077 6.581 1.00 0.00 H new ATOM 873 N THR A 68 120.671 -1.272 7.298 1.00 0.00 N ATOM 874 CA THR A 68 120.557 -0.495 8.525 1.00 0.00 C ATOM 875 C THR A 68 119.148 0.066 8.702 1.00 0.00 C ATOM 876 O THR A 68 118.735 0.380 9.818 1.00 0.00 O ATOM 877 CB THR A 68 121.573 0.647 8.512 1.00 0.00 C ATOM 878 OG1 THR A 68 122.644 0.355 7.632 1.00 0.00 O ATOM 879 CG2 THR A 68 122.163 0.939 9.873 1.00 0.00 C ATOM 0 H THR A 68 121.342 -0.896 6.628 1.00 0.00 H new ATOM 0 HA THR A 68 120.763 -1.159 9.365 1.00 0.00 H new ATOM 0 HB THR A 68 121.017 1.524 8.180 1.00 0.00 H new ATOM 0 HG1 THR A 68 123.283 1.098 7.636 1.00 0.00 H new ATOM 0 HG21 THR A 68 122.876 1.760 9.792 1.00 0.00 H new ATOM 0 HG22 THR A 68 121.366 1.217 10.563 1.00 0.00 H new ATOM 0 HG23 THR A 68 122.673 0.051 10.247 1.00 0.00 H new ATOM 887 N ASP A 69 118.413 0.199 7.599 1.00 0.00 N ATOM 888 CA ASP A 69 117.052 0.731 7.647 1.00 0.00 C ATOM 889 C ASP A 69 116.194 -0.036 8.647 1.00 0.00 C ATOM 890 O ASP A 69 115.239 0.504 9.203 1.00 0.00 O ATOM 891 CB ASP A 69 116.402 0.678 6.265 1.00 0.00 C ATOM 892 CG ASP A 69 116.748 1.882 5.410 1.00 0.00 C ATOM 893 OD1 ASP A 69 116.737 3.011 5.944 1.00 0.00 O ATOM 894 OD2 ASP A 69 117.030 1.695 4.208 1.00 0.00 O ATOM 0 H ASP A 69 118.735 -0.053 6.665 1.00 0.00 H new ATOM 0 HA ASP A 69 117.118 1.770 7.971 1.00 0.00 H new ATOM 0 HB2 ASP A 69 116.720 -0.230 5.753 1.00 0.00 H new ATOM 0 HB3 ASP A 69 115.320 0.617 6.379 1.00 0.00 H new ATOM 899 N GLN A 70 116.541 -1.296 8.872 1.00 0.00 N ATOM 900 CA GLN A 70 115.803 -2.135 9.807 1.00 0.00 C ATOM 901 C GLN A 70 116.384 -2.030 11.216 1.00 0.00 C ATOM 902 O GLN A 70 115.988 -2.770 12.115 1.00 0.00 O ATOM 903 CB GLN A 70 115.823 -3.589 9.336 1.00 0.00 C ATOM 904 CG GLN A 70 115.034 -3.820 8.057 1.00 0.00 C ATOM 905 CD GLN A 70 113.902 -4.813 8.238 1.00 0.00 C ATOM 906 OE1 GLN A 70 113.310 -4.909 9.313 1.00 0.00 O ATOM 907 NE2 GLN A 70 113.597 -5.557 7.182 1.00 0.00 N ATOM 0 H GLN A 70 117.329 -1.760 8.420 1.00 0.00 H new ATOM 0 HA GLN A 70 114.772 -1.784 9.839 1.00 0.00 H new ATOM 0 HB2 GLN A 70 116.856 -3.898 9.178 1.00 0.00 H new ATOM 0 HB3 GLN A 70 115.418 -4.224 10.124 1.00 0.00 H new ATOM 0 HG2 GLN A 70 114.627 -2.870 7.710 1.00 0.00 H new ATOM 0 HG3 GLN A 70 115.708 -4.181 7.280 1.00 0.00 H new ATOM 0 HE21 GLN A 70 114.115 -5.443 6.311 1.00 0.00 H new ATOM 0 HE22 GLN A 70 112.844 -6.243 7.242 1.00 0.00 H new ATOM 916 N VAL A 71 117.327 -1.109 11.397 1.00 0.00 N ATOM 917 CA VAL A 71 117.969 -0.908 12.693 1.00 0.00 C ATOM 918 C VAL A 71 117.350 0.268 13.442 1.00 0.00 C ATOM 919 O VAL A 71 117.030 0.153 14.625 1.00 0.00 O ATOM 920 CB VAL A 71 119.481 -0.672 12.521 1.00 0.00 C ATOM 921 CG1 VAL A 71 120.147 -0.378 13.858 1.00 0.00 C ATOM 922 CG2 VAL A 71 120.131 -1.876 11.852 1.00 0.00 C ATOM 0 H VAL A 71 117.664 -0.489 10.661 1.00 0.00 H new ATOM 0 HA VAL A 71 117.812 -1.814 13.278 1.00 0.00 H new ATOM 0 HB VAL A 71 119.618 0.200 11.881 1.00 0.00 H new ATOM 0 HG11 VAL A 71 121.214 -0.216 13.705 1.00 0.00 H new ATOM 0 HG12 VAL A 71 119.703 0.516 14.297 1.00 0.00 H new ATOM 0 HG13 VAL A 71 120.001 -1.223 14.531 1.00 0.00 H new ATOM 0 HG21 VAL A 71 121.200 -1.695 11.737 1.00 0.00 H new ATOM 0 HG22 VAL A 71 119.977 -2.762 12.468 1.00 0.00 H new ATOM 0 HG23 VAL A 71 119.682 -2.034 10.871 1.00 0.00 H new ATOM 932 N LEU A 72 117.163 1.391 12.757 1.00 0.00 N ATOM 933 CA LEU A 72 116.565 2.555 13.386 1.00 0.00 C ATOM 934 C LEU A 72 115.048 2.426 13.376 1.00 0.00 C ATOM 935 O LEU A 72 114.354 3.040 14.187 1.00 0.00 O ATOM 936 CB LEU A 72 116.995 3.849 12.683 1.00 0.00 C ATOM 937 CG LEU A 72 117.046 3.790 11.153 1.00 0.00 C ATOM 938 CD1 LEU A 72 116.559 5.099 10.549 1.00 0.00 C ATOM 939 CD2 LEU A 72 118.460 3.486 10.682 1.00 0.00 C ATOM 0 H LEU A 72 117.415 1.516 11.777 1.00 0.00 H new ATOM 0 HA LEU A 72 116.914 2.604 14.417 1.00 0.00 H new ATOM 0 HB2 LEU A 72 116.309 4.644 12.975 1.00 0.00 H new ATOM 0 HB3 LEU A 72 117.982 4.129 13.050 1.00 0.00 H new ATOM 0 HG LEU A 72 116.386 2.990 10.818 1.00 0.00 H new ATOM 0 HD11 LEU A 72 116.603 5.037 9.462 1.00 0.00 H new ATOM 0 HD12 LEU A 72 115.531 5.283 10.861 1.00 0.00 H new ATOM 0 HD13 LEU A 72 117.194 5.916 10.892 1.00 0.00 H new ATOM 0 HD21 LEU A 72 118.480 3.447 9.593 1.00 0.00 H new ATOM 0 HD22 LEU A 72 119.135 4.268 11.030 1.00 0.00 H new ATOM 0 HD23 LEU A 72 118.779 2.525 11.085 1.00 0.00 H new ATOM 951 N SER A 73 114.544 1.604 12.461 1.00 0.00 N ATOM 952 CA SER A 73 113.112 1.374 12.347 1.00 0.00 C ATOM 953 C SER A 73 112.594 0.574 13.538 1.00 0.00 C ATOM 954 O SER A 73 111.403 0.596 13.846 1.00 0.00 O ATOM 955 CB SER A 73 112.798 0.637 11.048 1.00 0.00 C ATOM 956 OG SER A 73 111.434 0.783 10.694 1.00 0.00 O ATOM 0 H SER A 73 115.109 1.086 11.788 1.00 0.00 H new ATOM 0 HA SER A 73 112.612 2.342 12.338 1.00 0.00 H new ATOM 0 HB2 SER A 73 113.428 1.023 10.246 1.00 0.00 H new ATOM 0 HB3 SER A 73 113.036 -0.421 11.160 1.00 0.00 H new ATOM 0 HG SER A 73 111.260 0.303 9.858 1.00 0.00 H new ATOM 962 N VAL A 74 113.496 -0.137 14.205 1.00 0.00 N ATOM 963 CA VAL A 74 113.125 -0.948 15.357 1.00 0.00 C ATOM 964 C VAL A 74 113.915 -0.563 16.605 1.00 0.00 C ATOM 965 O VAL A 74 113.531 -0.924 17.718 1.00 0.00 O ATOM 966 CB VAL A 74 113.363 -2.441 15.075 1.00 0.00 C ATOM 967 CG1 VAL A 74 112.810 -3.299 16.205 1.00 0.00 C ATOM 968 CG2 VAL A 74 112.748 -2.838 13.740 1.00 0.00 C ATOM 0 H VAL A 74 114.488 -0.168 13.968 1.00 0.00 H new ATOM 0 HA VAL A 74 112.066 -0.763 15.536 1.00 0.00 H new ATOM 0 HB VAL A 74 114.438 -2.612 15.018 1.00 0.00 H new ATOM 0 HG11 VAL A 74 112.989 -4.351 15.984 1.00 0.00 H new ATOM 0 HG12 VAL A 74 113.306 -3.034 17.139 1.00 0.00 H new ATOM 0 HG13 VAL A 74 111.738 -3.126 16.302 1.00 0.00 H new ATOM 0 HG21 VAL A 74 112.927 -3.898 13.558 1.00 0.00 H new ATOM 0 HG22 VAL A 74 111.675 -2.650 13.764 1.00 0.00 H new ATOM 0 HG23 VAL A 74 113.202 -2.251 12.941 1.00 0.00 H new ATOM 978 N LEU A 75 115.037 0.136 16.426 1.00 0.00 N ATOM 979 CA LEU A 75 115.878 0.514 17.566 1.00 0.00 C ATOM 980 C LEU A 75 115.951 2.026 17.812 1.00 0.00 C ATOM 981 O LEU A 75 116.374 2.449 18.887 1.00 0.00 O ATOM 982 CB LEU A 75 117.287 -0.046 17.377 1.00 0.00 C ATOM 983 CG LEU A 75 117.333 -1.491 16.878 1.00 0.00 C ATOM 984 CD1 LEU A 75 118.772 -1.950 16.687 1.00 0.00 C ATOM 985 CD2 LEU A 75 116.604 -2.407 17.847 1.00 0.00 C ATOM 0 H LEU A 75 115.382 0.448 15.518 1.00 0.00 H new ATOM 0 HA LEU A 75 115.406 0.083 18.449 1.00 0.00 H new ATOM 0 HB2 LEU A 75 117.824 0.587 16.670 1.00 0.00 H new ATOM 0 HB3 LEU A 75 117.819 0.014 18.327 1.00 0.00 H new ATOM 0 HG LEU A 75 116.831 -1.538 15.912 1.00 0.00 H new ATOM 0 HD11 LEU A 75 118.781 -2.980 16.332 1.00 0.00 H new ATOM 0 HD12 LEU A 75 119.264 -1.309 15.955 1.00 0.00 H new ATOM 0 HD13 LEU A 75 119.302 -1.889 17.637 1.00 0.00 H new ATOM 0 HD21 LEU A 75 116.645 -3.432 17.479 1.00 0.00 H new ATOM 0 HD22 LEU A 75 117.080 -2.354 18.826 1.00 0.00 H new ATOM 0 HD23 LEU A 75 115.564 -2.093 17.932 1.00 0.00 H new ATOM 997 N LYS A 76 115.559 2.846 16.840 1.00 0.00 N ATOM 998 CA LYS A 76 115.620 4.297 17.027 1.00 0.00 C ATOM 999 C LYS A 76 114.228 4.897 17.199 1.00 0.00 C ATOM 1000 O LYS A 76 114.085 6.040 17.633 1.00 0.00 O ATOM 1001 CB LYS A 76 116.328 4.948 15.842 1.00 0.00 C ATOM 1002 CG LYS A 76 117.737 5.439 16.160 1.00 0.00 C ATOM 1003 CD LYS A 76 118.799 4.465 15.667 1.00 0.00 C ATOM 1004 CE LYS A 76 119.879 5.172 14.861 1.00 0.00 C ATOM 1005 NZ LYS A 76 121.095 4.326 14.695 1.00 0.00 N ATOM 0 H LYS A 76 115.203 2.542 15.934 1.00 0.00 H new ATOM 0 HA LYS A 76 116.185 4.494 17.938 1.00 0.00 H new ATOM 0 HB2 LYS A 76 116.380 4.231 15.023 1.00 0.00 H new ATOM 0 HB3 LYS A 76 115.731 5.790 15.492 1.00 0.00 H new ATOM 0 HG2 LYS A 76 117.895 6.414 15.699 1.00 0.00 H new ATOM 0 HG3 LYS A 76 117.840 5.575 17.236 1.00 0.00 H new ATOM 0 HD2 LYS A 76 119.253 3.959 16.519 1.00 0.00 H new ATOM 0 HD3 LYS A 76 118.331 3.696 15.053 1.00 0.00 H new ATOM 0 HE2 LYS A 76 119.485 5.437 13.880 1.00 0.00 H new ATOM 0 HE3 LYS A 76 120.150 6.104 15.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 121.806 4.845 14.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 121.487 4.094 15.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 120.842 3.448 14.198 1.00 0.00 H new ATOM 1019 N GLY A 77 113.205 4.125 16.852 1.00 0.00 N ATOM 1020 CA GLY A 77 111.842 4.601 16.967 1.00 0.00 C ATOM 1021 C GLY A 77 111.145 4.624 15.625 1.00 0.00 C ATOM 1022 O GLY A 77 110.433 5.574 15.300 1.00 0.00 O ATOM 0 H GLY A 77 113.297 3.175 16.492 1.00 0.00 H new ATOM 0 HA2 GLY A 77 111.289 3.960 17.654 1.00 0.00 H new ATOM 0 HA3 GLY A 77 111.841 5.603 17.395 1.00 0.00 H new ATOM 1026 N GLU A 78 111.358 3.569 14.845 1.00 0.00 N ATOM 1027 CA GLU A 78 110.759 3.457 13.527 1.00 0.00 C ATOM 1028 C GLU A 78 111.291 4.536 12.592 1.00 0.00 C ATOM 1029 O GLU A 78 110.521 5.319 12.032 1.00 0.00 O ATOM 1030 CB GLU A 78 109.243 3.545 13.638 1.00 0.00 C ATOM 1031 CG GLU A 78 108.509 2.812 12.525 1.00 0.00 C ATOM 1032 CD GLU A 78 107.017 2.713 12.775 1.00 0.00 C ATOM 1033 OE1 GLU A 78 106.603 1.828 13.554 1.00 0.00 O ATOM 1034 OE2 GLU A 78 106.262 3.519 12.190 1.00 0.00 O ATOM 0 H GLU A 78 111.945 2.777 15.108 1.00 0.00 H new ATOM 0 HA GLU A 78 111.028 2.488 13.105 1.00 0.00 H new ATOM 0 HB2 GLU A 78 108.933 3.134 14.599 1.00 0.00 H new ATOM 0 HB3 GLU A 78 108.946 4.594 13.629 1.00 0.00 H new ATOM 0 HG2 GLU A 78 108.682 3.328 11.580 1.00 0.00 H new ATOM 0 HG3 GLU A 78 108.923 1.809 12.421 1.00 0.00 H new ATOM 1041 N GLU A 79 112.612 4.570 12.418 1.00 0.00 N ATOM 1042 CA GLU A 79 113.233 5.555 11.541 1.00 0.00 C ATOM 1043 C GLU A 79 113.180 6.948 12.160 1.00 0.00 C ATOM 1044 O GLU A 79 112.447 7.125 13.155 1.00 0.00 O ATOM 1045 CB GLU A 79 112.545 5.565 10.172 1.00 0.00 C ATOM 1046 CG GLU A 79 113.492 5.837 9.017 1.00 0.00 C ATOM 1047 CD GLU A 79 112.825 6.587 7.880 1.00 0.00 C ATOM 1048 OE1 GLU A 79 111.727 6.169 7.455 1.00 0.00 O ATOM 1049 OE2 GLU A 79 113.400 7.594 7.415 1.00 0.00 O ATOM 0 H GLU A 79 113.266 3.931 12.870 1.00 0.00 H new ATOM 0 HA GLU A 79 114.278 5.275 11.410 1.00 0.00 H new ATOM 0 HB2 GLU A 79 112.058 4.603 10.013 1.00 0.00 H new ATOM 0 HB3 GLU A 79 111.761 6.323 10.174 1.00 0.00 H new ATOM 0 HG2 GLU A 79 114.343 6.414 9.378 1.00 0.00 H new ATOM 0 HG3 GLU A 79 113.884 4.891 8.643 1.00 0.00 H new