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 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0456 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) 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 180:sc= 0 USER MOD Single : A 24 SER OG : rot 105:sc= 1.21 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 74:sc= 1.16 USER MOD Single : A 34 GLN : amide:sc=-0.000367 X(o=-0.00037,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -157:sc= -0.307 (180deg=-1.09) 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 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 93:sc= 0.136 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 83:sc= 0.601 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -85:sc= 0.891 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.1 USER MOD Single : A 70 GLN : amide:sc= -0.035 X(o=-0.035,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00735) USER MOD ----------------------------------------------------------------- ATOM 35 N LEU A 15 108.229 13.487 9.160 1.00 0.00 N ATOM 36 CA LEU A 15 106.980 13.915 8.537 1.00 0.00 C ATOM 37 C LEU A 15 106.220 12.730 7.948 1.00 0.00 C ATOM 38 O LEU A 15 104.998 12.643 8.073 1.00 0.00 O ATOM 39 CB LEU A 15 107.252 14.957 7.448 1.00 0.00 C ATOM 40 CG LEU A 15 108.377 14.605 6.467 1.00 0.00 C ATOM 41 CD1 LEU A 15 107.922 14.808 5.027 1.00 0.00 C ATOM 42 CD2 LEU A 15 109.618 15.438 6.757 1.00 0.00 C ATOM 0 HA LEU A 15 106.361 14.366 9.313 1.00 0.00 H new ATOM 0 HB2 LEU A 15 106.334 15.113 6.881 1.00 0.00 H new ATOM 0 HB3 LEU A 15 107.495 15.905 7.928 1.00 0.00 H new ATOM 0 HG LEU A 15 108.628 13.553 6.600 1.00 0.00 H new ATOM 0 HD11 LEU A 15 108.736 14.552 4.349 1.00 0.00 H new ATOM 0 HD12 LEU A 15 107.064 14.167 4.823 1.00 0.00 H new ATOM 0 HD13 LEU A 15 107.640 15.850 4.878 1.00 0.00 H new ATOM 0 HD21 LEU A 15 110.406 15.175 6.051 1.00 0.00 H new ATOM 0 HD22 LEU A 15 109.378 16.496 6.655 1.00 0.00 H new ATOM 0 HD23 LEU A 15 109.960 15.240 7.773 1.00 0.00 H new ATOM 54 N THR A 16 106.946 11.816 7.313 1.00 0.00 N ATOM 55 CA THR A 16 106.331 10.637 6.709 1.00 0.00 C ATOM 56 C THR A 16 105.841 9.665 7.778 1.00 0.00 C ATOM 57 O THR A 16 105.022 8.787 7.502 1.00 0.00 O ATOM 58 CB THR A 16 107.325 9.935 5.783 1.00 0.00 C ATOM 59 OG1 THR A 16 106.704 8.859 5.103 1.00 0.00 O ATOM 60 CG2 THR A 16 108.534 9.383 6.506 1.00 0.00 C ATOM 0 H THR A 16 107.959 11.868 7.203 1.00 0.00 H new ATOM 0 HA THR A 16 105.472 10.968 6.126 1.00 0.00 H new ATOM 0 HB THR A 16 107.659 10.704 5.086 1.00 0.00 H new ATOM 0 HG1 THR A 16 107.356 8.424 4.515 1.00 0.00 H new ATOM 0 HG21 THR A 16 109.197 8.899 5.789 1.00 0.00 H new ATOM 0 HG22 THR A 16 109.066 10.197 7.000 1.00 0.00 H new ATOM 0 HG23 THR A 16 108.212 8.656 7.251 1.00 0.00 H new ATOM 68 N GLN A 17 106.347 9.822 8.998 1.00 0.00 N ATOM 69 CA GLN A 17 105.956 8.957 10.102 1.00 0.00 C ATOM 70 C GLN A 17 104.497 9.185 10.488 1.00 0.00 C ATOM 71 O GLN A 17 103.867 8.319 11.093 1.00 0.00 O ATOM 72 CB GLN A 17 106.865 9.196 11.311 1.00 0.00 C ATOM 73 CG GLN A 17 107.627 7.958 11.751 1.00 0.00 C ATOM 74 CD GLN A 17 108.379 8.166 13.050 1.00 0.00 C ATOM 75 OE1 GLN A 17 107.823 8.005 14.136 1.00 0.00 O ATOM 76 NE2 GLN A 17 109.653 8.527 12.947 1.00 0.00 N ATOM 0 H GLN A 17 107.028 10.540 9.245 1.00 0.00 H new ATOM 0 HA GLN A 17 106.064 7.923 9.775 1.00 0.00 H new ATOM 0 HB2 GLN A 17 107.578 9.985 11.069 1.00 0.00 H new ATOM 0 HB3 GLN A 17 106.261 9.556 12.144 1.00 0.00 H new ATOM 0 HG2 GLN A 17 106.929 7.129 11.869 1.00 0.00 H new ATOM 0 HG3 GLN A 17 108.331 7.673 10.970 1.00 0.00 H new ATOM 0 HE21 GLN A 17 110.076 8.650 12.027 1.00 0.00 H new ATOM 0 HE22 GLN A 17 110.209 8.682 13.788 1.00 0.00 H new ATOM 85 N VAL A 18 103.965 10.352 10.132 1.00 0.00 N ATOM 86 CA VAL A 18 102.579 10.694 10.441 1.00 0.00 C ATOM 87 C VAL A 18 101.670 10.438 9.242 1.00 0.00 C ATOM 88 O VAL A 18 100.533 9.994 9.397 1.00 0.00 O ATOM 89 CB VAL A 18 102.447 12.171 10.858 1.00 0.00 C ATOM 90 CG1 VAL A 18 101.037 12.469 11.343 1.00 0.00 C ATOM 91 CG2 VAL A 18 103.472 12.516 11.928 1.00 0.00 C ATOM 0 H VAL A 18 104.474 11.078 9.628 1.00 0.00 H new ATOM 0 HA VAL A 18 102.273 10.057 11.271 1.00 0.00 H new ATOM 0 HB VAL A 18 102.642 12.794 9.985 1.00 0.00 H new ATOM 0 HG11 VAL A 18 100.966 13.517 11.633 1.00 0.00 H new ATOM 0 HG12 VAL A 18 100.326 12.265 10.542 1.00 0.00 H new ATOM 0 HG13 VAL A 18 100.807 11.839 12.202 1.00 0.00 H new ATOM 0 HG21 VAL A 18 103.364 13.563 12.211 1.00 0.00 H new ATOM 0 HG22 VAL A 18 103.311 11.886 12.803 1.00 0.00 H new ATOM 0 HG23 VAL A 18 104.476 12.347 11.538 1.00 0.00 H new ATOM 101 N LYS A 19 102.183 10.713 8.048 1.00 0.00 N ATOM 102 CA LYS A 19 101.424 10.512 6.820 1.00 0.00 C ATOM 103 C LYS A 19 101.140 9.037 6.607 1.00 0.00 C ATOM 104 O LYS A 19 99.987 8.609 6.573 1.00 0.00 O ATOM 105 CB LYS A 19 102.204 11.051 5.628 1.00 0.00 C ATOM 106 CG LYS A 19 102.279 12.568 5.582 1.00 0.00 C ATOM 107 CD LYS A 19 102.602 13.068 4.181 1.00 0.00 C ATOM 108 CE LYS A 19 101.369 13.625 3.489 1.00 0.00 C ATOM 109 NZ LYS A 19 101.590 13.816 2.028 1.00 0.00 N ATOM 0 H LYS A 19 103.125 11.077 7.905 1.00 0.00 H new ATOM 0 HA LYS A 19 100.480 11.049 6.910 1.00 0.00 H new ATOM 0 HB2 LYS A 19 103.216 10.647 5.655 1.00 0.00 H new ATOM 0 HB3 LYS A 19 101.741 10.691 4.709 1.00 0.00 H new ATOM 0 HG2 LYS A 19 101.329 12.990 5.910 1.00 0.00 H new ATOM 0 HG3 LYS A 19 103.041 12.917 6.279 1.00 0.00 H new ATOM 0 HD2 LYS A 19 103.369 13.841 4.237 1.00 0.00 H new ATOM 0 HD3 LYS A 19 103.015 12.252 3.589 1.00 0.00 H new ATOM 0 HE2 LYS A 19 100.529 12.948 3.644 1.00 0.00 H new ATOM 0 HE3 LYS A 19 101.098 14.578 3.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 100.726 14.197 1.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 102.375 14.482 1.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 101.824 12.902 1.590 1.00 0.00 H new ATOM 123 N GLU A 20 102.209 8.262 6.472 1.00 0.00 N ATOM 124 CA GLU A 20 102.086 6.825 6.274 1.00 0.00 C ATOM 125 C GLU A 20 101.309 6.196 7.425 1.00 0.00 C ATOM 126 O GLU A 20 100.770 5.097 7.297 1.00 0.00 O ATOM 127 CB GLU A 20 103.470 6.181 6.158 1.00 0.00 C ATOM 128 CG GLU A 20 104.217 6.577 4.894 1.00 0.00 C ATOM 129 CD GLU A 20 105.425 5.698 4.632 1.00 0.00 C ATOM 130 OE1 GLU A 20 106.225 5.493 5.568 1.00 0.00 O ATOM 131 OE2 GLU A 20 105.570 5.216 3.489 1.00 0.00 O ATOM 0 H GLU A 20 103.169 8.605 6.496 1.00 0.00 H new ATOM 0 HA GLU A 20 101.541 6.650 5.346 1.00 0.00 H new ATOM 0 HB2 GLU A 20 104.067 6.461 7.026 1.00 0.00 H new ATOM 0 HB3 GLU A 20 103.361 5.097 6.182 1.00 0.00 H new ATOM 0 HG2 GLU A 20 103.539 6.520 4.042 1.00 0.00 H new ATOM 0 HG3 GLU A 20 104.539 7.615 4.976 1.00 0.00 H new ATOM 138 N SER A 21 101.251 6.908 8.549 1.00 0.00 N ATOM 139 CA SER A 21 100.537 6.433 9.718 1.00 0.00 C ATOM 140 C SER A 21 99.033 6.591 9.526 1.00 0.00 C ATOM 141 O SER A 21 98.284 5.615 9.575 1.00 0.00 O ATOM 142 CB SER A 21 100.999 7.220 10.937 1.00 0.00 C ATOM 143 OG SER A 21 101.400 6.356 11.987 1.00 0.00 O ATOM 0 H SER A 21 101.694 7.819 8.668 1.00 0.00 H new ATOM 0 HA SER A 21 100.750 5.374 9.865 1.00 0.00 H new ATOM 0 HB2 SER A 21 101.830 7.869 10.660 1.00 0.00 H new ATOM 0 HB3 SER A 21 100.192 7.866 11.283 1.00 0.00 H new ATOM 0 HG SER A 21 101.693 6.889 12.755 1.00 0.00 H new ATOM 149 N LEU A 22 98.600 7.826 9.300 1.00 0.00 N ATOM 150 CA LEU A 22 97.189 8.110 9.090 1.00 0.00 C ATOM 151 C LEU A 22 96.692 7.404 7.836 1.00 0.00 C ATOM 152 O LEU A 22 95.543 6.966 7.767 1.00 0.00 O ATOM 153 CB LEU A 22 96.957 9.619 8.978 1.00 0.00 C ATOM 154 CG LEU A 22 95.903 10.184 9.931 1.00 0.00 C ATOM 155 CD1 LEU A 22 94.546 9.551 9.663 1.00 0.00 C ATOM 156 CD2 LEU A 22 96.322 9.962 11.377 1.00 0.00 C ATOM 0 H LEU A 22 99.207 8.645 9.258 1.00 0.00 H new ATOM 0 HA LEU A 22 96.628 7.738 9.947 1.00 0.00 H new ATOM 0 HB2 LEU A 22 97.902 10.131 9.161 1.00 0.00 H new ATOM 0 HB3 LEU A 22 96.661 9.851 7.955 1.00 0.00 H new ATOM 0 HG LEU A 22 95.819 11.257 9.757 1.00 0.00 H new ATOM 0 HD11 LEU A 22 93.809 9.966 10.351 1.00 0.00 H new ATOM 0 HD12 LEU A 22 94.243 9.760 8.637 1.00 0.00 H new ATOM 0 HD13 LEU A 22 94.612 8.473 9.809 1.00 0.00 H new ATOM 0 HD21 LEU A 22 95.561 10.370 12.043 1.00 0.00 H new ATOM 0 HD22 LEU A 22 96.433 8.894 11.564 1.00 0.00 H new ATOM 0 HD23 LEU A 22 97.272 10.463 11.562 1.00 0.00 H new ATOM 168 N SER A 23 97.572 7.292 6.846 1.00 0.00 N ATOM 169 CA SER A 23 97.231 6.633 5.592 1.00 0.00 C ATOM 170 C SER A 23 97.006 5.144 5.813 1.00 0.00 C ATOM 171 O SER A 23 96.167 4.530 5.156 1.00 0.00 O ATOM 172 CB SER A 23 98.339 6.846 4.558 1.00 0.00 C ATOM 173 OG SER A 23 97.801 6.982 3.256 1.00 0.00 O ATOM 0 H SER A 23 98.526 7.649 6.889 1.00 0.00 H new ATOM 0 HA SER A 23 96.308 7.074 5.216 1.00 0.00 H new ATOM 0 HB2 SER A 23 98.912 7.737 4.813 1.00 0.00 H new ATOM 0 HB3 SER A 23 99.031 6.004 4.583 1.00 0.00 H new ATOM 0 HG SER A 23 98.529 7.119 2.614 1.00 0.00 H new ATOM 178 N SER A 24 97.759 4.573 6.746 1.00 0.00 N ATOM 179 CA SER A 24 97.639 3.154 7.060 1.00 0.00 C ATOM 180 C SER A 24 96.260 2.843 7.623 1.00 0.00 C ATOM 181 O SER A 24 95.698 1.778 7.364 1.00 0.00 O ATOM 182 CB SER A 24 98.705 2.735 8.064 1.00 0.00 C ATOM 183 OG SER A 24 99.996 2.749 7.480 1.00 0.00 O ATOM 0 H SER A 24 98.458 5.070 7.298 1.00 0.00 H new ATOM 0 HA SER A 24 97.780 2.594 6.136 1.00 0.00 H new ATOM 0 HB2 SER A 24 98.684 3.407 8.922 1.00 0.00 H new ATOM 0 HB3 SER A 24 98.483 1.735 8.437 1.00 0.00 H new ATOM 0 HG SER A 24 100.492 3.530 7.802 1.00 0.00 H new ATOM 189 N TYR A 25 95.716 3.784 8.388 1.00 0.00 N ATOM 190 CA TYR A 25 94.405 3.624 8.980 1.00 0.00 C ATOM 191 C TYR A 25 93.379 3.306 7.903 1.00 0.00 C ATOM 192 O TYR A 25 92.464 2.509 8.110 1.00 0.00 O ATOM 193 CB TYR A 25 94.039 4.913 9.702 1.00 0.00 C ATOM 194 CG TYR A 25 93.442 4.702 11.076 1.00 0.00 C ATOM 195 CD1 TYR A 25 92.287 3.948 11.245 1.00 0.00 C ATOM 196 CD2 TYR A 25 94.033 5.258 12.203 1.00 0.00 C ATOM 197 CE1 TYR A 25 91.738 3.757 12.499 1.00 0.00 C ATOM 198 CE2 TYR A 25 93.492 5.069 13.459 1.00 0.00 C ATOM 199 CZ TYR A 25 92.344 4.318 13.603 1.00 0.00 C ATOM 200 OH TYR A 25 91.801 4.129 14.852 1.00 0.00 O ATOM 0 H TYR A 25 96.172 4.669 8.610 1.00 0.00 H new ATOM 0 HA TYR A 25 94.415 2.797 9.690 1.00 0.00 H new ATOM 0 HB2 TYR A 25 94.932 5.530 9.796 1.00 0.00 H new ATOM 0 HB3 TYR A 25 93.329 5.471 9.091 1.00 0.00 H new ATOM 0 HD1 TYR A 25 91.811 3.504 10.383 1.00 0.00 H new ATOM 0 HD2 TYR A 25 94.931 5.848 12.095 1.00 0.00 H new ATOM 0 HE1 TYR A 25 90.838 3.171 12.614 1.00 0.00 H new ATOM 0 HE2 TYR A 25 93.966 5.507 14.325 1.00 0.00 H new ATOM 0 HH TYR A 25 92.350 4.589 15.521 1.00 0.00 H new ATOM 210 N TRP A 26 93.556 3.934 6.747 1.00 0.00 N ATOM 211 CA TRP A 26 92.665 3.731 5.611 1.00 0.00 C ATOM 212 C TRP A 26 93.293 2.796 4.580 1.00 0.00 C ATOM 213 O TRP A 26 92.605 2.286 3.697 1.00 0.00 O ATOM 214 CB TRP A 26 92.333 5.073 4.957 1.00 0.00 C ATOM 215 CG TRP A 26 91.687 6.041 5.900 1.00 0.00 C ATOM 216 CD1 TRP A 26 92.307 7.018 6.623 1.00 0.00 C ATOM 217 CD2 TRP A 26 90.297 6.114 6.234 1.00 0.00 C ATOM 218 NE1 TRP A 26 91.388 7.696 7.385 1.00 0.00 N ATOM 219 CE2 TRP A 26 90.147 7.160 7.164 1.00 0.00 C ATOM 220 CE3 TRP A 26 89.165 5.399 5.835 1.00 0.00 C ATOM 221 CZ2 TRP A 26 88.910 7.506 7.701 1.00 0.00 C ATOM 222 CZ3 TRP A 26 87.938 5.743 6.371 1.00 0.00 C ATOM 223 CH2 TRP A 26 87.820 6.789 7.295 1.00 0.00 C ATOM 0 H TRP A 26 94.314 4.593 6.571 1.00 0.00 H new ATOM 0 HA TRP A 26 91.748 3.271 5.979 1.00 0.00 H new ATOM 0 HB2 TRP A 26 93.248 5.515 4.563 1.00 0.00 H new ATOM 0 HB3 TRP A 26 91.670 4.903 4.109 1.00 0.00 H new ATOM 0 HD1 TRP A 26 93.366 7.227 6.599 1.00 0.00 H new ATOM 0 HE1 TRP A 26 91.596 8.472 8.013 1.00 0.00 H new ATOM 0 HE3 TRP A 26 89.247 4.593 5.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 88.815 8.312 8.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 87.056 5.196 6.072 1.00 0.00 H new ATOM 0 HH2 TRP A 26 86.847 7.034 7.695 1.00 0.00 H new ATOM 234 N GLU A 27 94.603 2.570 4.693 1.00 0.00 N ATOM 235 CA GLU A 27 95.301 1.695 3.756 1.00 0.00 C ATOM 236 C GLU A 27 94.732 0.283 3.812 1.00 0.00 C ATOM 237 O GLU A 27 94.649 -0.404 2.793 1.00 0.00 O ATOM 238 CB GLU A 27 96.800 1.672 4.054 1.00 0.00 C ATOM 239 CG GLU A 27 97.658 1.374 2.836 1.00 0.00 C ATOM 240 CD GLU A 27 97.554 -0.071 2.388 1.00 0.00 C ATOM 241 OE1 GLU A 27 97.741 -0.969 3.233 1.00 0.00 O ATOM 242 OE2 GLU A 27 97.284 -0.302 1.190 1.00 0.00 O ATOM 0 H GLU A 27 95.195 2.977 5.417 1.00 0.00 H new ATOM 0 HA GLU A 27 95.153 2.089 2.751 1.00 0.00 H new ATOM 0 HB2 GLU A 27 97.094 2.636 4.468 1.00 0.00 H new ATOM 0 HB3 GLU A 27 96.998 0.922 4.820 1.00 0.00 H new ATOM 0 HG2 GLU A 27 97.358 2.027 2.016 1.00 0.00 H new ATOM 0 HG3 GLU A 27 98.698 1.606 3.064 1.00 0.00 H new ATOM 249 N SER A 28 94.327 -0.142 5.006 1.00 0.00 N ATOM 250 CA SER A 28 93.754 -1.469 5.182 1.00 0.00 C ATOM 251 C SER A 28 92.428 -1.567 4.440 1.00 0.00 C ATOM 252 O SER A 28 92.148 -2.565 3.778 1.00 0.00 O ATOM 253 CB SER A 28 93.559 -1.776 6.666 1.00 0.00 C ATOM 254 OG SER A 28 92.438 -2.618 6.879 1.00 0.00 O ATOM 0 H SER A 28 94.385 0.412 5.861 1.00 0.00 H new ATOM 0 HA SER A 28 94.443 -2.205 4.768 1.00 0.00 H new ATOM 0 HB2 SER A 28 94.455 -2.255 7.061 1.00 0.00 H new ATOM 0 HB3 SER A 28 93.426 -0.845 7.217 1.00 0.00 H new ATOM 0 HG SER A 28 92.341 -2.797 7.838 1.00 0.00 H new ATOM 260 N ALA A 29 91.626 -0.511 4.533 1.00 0.00 N ATOM 261 CA ALA A 29 90.346 -0.475 3.845 1.00 0.00 C ATOM 262 C ALA A 29 90.580 -0.593 2.349 1.00 0.00 C ATOM 263 O ALA A 29 89.797 -1.208 1.626 1.00 0.00 O ATOM 264 CB ALA A 29 89.600 0.810 4.172 1.00 0.00 C ATOM 0 H ALA A 29 91.841 0.326 5.076 1.00 0.00 H new ATOM 0 HA ALA A 29 89.732 -1.312 4.180 1.00 0.00 H new ATOM 0 HB1 ALA A 29 88.644 0.819 3.648 1.00 0.00 H new ATOM 0 HB2 ALA A 29 89.425 0.866 5.246 1.00 0.00 H new ATOM 0 HB3 ALA A 29 90.195 1.667 3.856 1.00 0.00 H new ATOM 270 N LYS A 30 91.692 -0.017 1.904 1.00 0.00 N ATOM 271 CA LYS A 30 92.076 -0.061 0.499 1.00 0.00 C ATOM 272 C LYS A 30 92.692 -1.414 0.164 1.00 0.00 C ATOM 273 O LYS A 30 92.641 -1.865 -0.981 1.00 0.00 O ATOM 274 CB LYS A 30 93.071 1.059 0.184 1.00 0.00 C ATOM 275 CG LYS A 30 92.418 2.312 -0.374 1.00 0.00 C ATOM 276 CD LYS A 30 93.361 3.067 -1.297 1.00 0.00 C ATOM 277 CE LYS A 30 92.794 4.420 -1.691 1.00 0.00 C ATOM 278 NZ LYS A 30 93.840 5.480 -1.696 1.00 0.00 N ATOM 0 H LYS A 30 92.346 0.489 2.501 1.00 0.00 H new ATOM 0 HA LYS A 30 91.183 0.081 -0.109 1.00 0.00 H new ATOM 0 HB2 LYS A 30 93.615 1.317 1.093 1.00 0.00 H new ATOM 0 HB3 LYS A 30 93.805 0.691 -0.533 1.00 0.00 H new ATOM 0 HG2 LYS A 30 91.514 2.041 -0.919 1.00 0.00 H new ATOM 0 HG3 LYS A 30 92.113 2.961 0.447 1.00 0.00 H new ATOM 0 HD2 LYS A 30 94.322 3.205 -0.802 1.00 0.00 H new ATOM 0 HD3 LYS A 30 93.546 2.474 -2.193 1.00 0.00 H new ATOM 0 HE2 LYS A 30 92.343 4.350 -2.681 1.00 0.00 H new ATOM 0 HE3 LYS A 30 92.000 4.697 -0.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 93.413 6.388 -1.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 94.253 5.565 -0.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 94.585 5.229 -2.376 1.00 0.00 H new ATOM 292 N THR A 31 93.271 -2.060 1.174 1.00 0.00 N ATOM 293 CA THR A 31 93.892 -3.360 0.996 1.00 0.00 C ATOM 294 C THR A 31 92.838 -4.419 0.701 1.00 0.00 C ATOM 295 O THR A 31 92.944 -5.162 -0.275 1.00 0.00 O ATOM 296 CB THR A 31 94.669 -3.738 2.250 1.00 0.00 C ATOM 297 OG1 THR A 31 95.703 -2.803 2.506 1.00 0.00 O ATOM 298 CG2 THR A 31 95.297 -5.108 2.169 1.00 0.00 C ATOM 0 H THR A 31 93.320 -1.698 2.126 1.00 0.00 H new ATOM 0 HA THR A 31 94.577 -3.306 0.150 1.00 0.00 H new ATOM 0 HB THR A 31 93.934 -3.738 3.055 1.00 0.00 H new ATOM 0 HG1 THR A 31 95.314 -1.970 2.845 1.00 0.00 H new ATOM 0 HG21 THR A 31 95.836 -5.317 3.093 1.00 0.00 H new ATOM 0 HG22 THR A 31 94.518 -5.857 2.026 1.00 0.00 H new ATOM 0 HG23 THR A 31 95.991 -5.141 1.329 1.00 0.00 H new ATOM 306 N ALA A 32 91.810 -4.473 1.547 1.00 0.00 N ATOM 307 CA ALA A 32 90.728 -5.431 1.365 1.00 0.00 C ATOM 308 C ALA A 32 90.152 -5.306 -0.036 1.00 0.00 C ATOM 309 O ALA A 32 89.580 -6.251 -0.579 1.00 0.00 O ATOM 310 CB ALA A 32 89.643 -5.214 2.412 1.00 0.00 C ATOM 0 H ALA A 32 91.707 -3.866 2.360 1.00 0.00 H new ATOM 0 HA ALA A 32 91.126 -6.438 1.490 1.00 0.00 H new ATOM 0 HB1 ALA A 32 88.842 -5.938 2.262 1.00 0.00 H new ATOM 0 HB2 ALA A 32 90.067 -5.344 3.408 1.00 0.00 H new ATOM 0 HB3 ALA A 32 89.242 -4.205 2.317 1.00 0.00 H new ATOM 316 N ALA A 33 90.328 -4.127 -0.621 1.00 0.00 N ATOM 317 CA ALA A 33 89.849 -3.861 -1.969 1.00 0.00 C ATOM 318 C ALA A 33 90.820 -4.435 -2.991 1.00 0.00 C ATOM 319 O ALA A 33 90.410 -5.010 -3.998 1.00 0.00 O ATOM 320 CB ALA A 33 89.675 -2.365 -2.183 1.00 0.00 C ATOM 0 H ALA A 33 90.801 -3.338 -0.180 1.00 0.00 H new ATOM 0 HA ALA A 33 88.880 -4.342 -2.099 1.00 0.00 H new ATOM 0 HB1 ALA A 33 89.316 -2.182 -3.196 1.00 0.00 H new ATOM 0 HB2 ALA A 33 88.952 -1.977 -1.466 1.00 0.00 H new ATOM 0 HB3 ALA A 33 90.632 -1.863 -2.041 1.00 0.00 H new ATOM 326 N GLN A 34 92.112 -4.284 -2.718 1.00 0.00 N ATOM 327 CA GLN A 34 93.145 -4.795 -3.610 1.00 0.00 C ATOM 328 C GLN A 34 93.028 -6.308 -3.748 1.00 0.00 C ATOM 329 O GLN A 34 93.328 -6.882 -4.792 1.00 0.00 O ATOM 330 CB GLN A 34 94.529 -4.427 -3.077 1.00 0.00 C ATOM 331 CG GLN A 34 95.090 -3.147 -3.675 1.00 0.00 C ATOM 332 CD GLN A 34 95.748 -2.258 -2.638 1.00 0.00 C ATOM 333 OE1 GLN A 34 96.698 -2.663 -1.969 1.00 0.00 O ATOM 334 NE2 GLN A 34 95.244 -1.037 -2.499 1.00 0.00 N ATOM 0 H GLN A 34 92.468 -3.812 -1.887 1.00 0.00 H new ATOM 0 HA GLN A 34 93.009 -4.342 -4.592 1.00 0.00 H new ATOM 0 HB2 GLN A 34 94.475 -4.319 -1.994 1.00 0.00 H new ATOM 0 HB3 GLN A 34 95.218 -5.246 -3.282 1.00 0.00 H new ATOM 0 HG2 GLN A 34 95.818 -3.399 -4.446 1.00 0.00 H new ATOM 0 HG3 GLN A 34 94.286 -2.596 -4.163 1.00 0.00 H new ATOM 0 HE21 GLN A 34 94.455 -0.742 -3.075 1.00 0.00 H new ATOM 0 HE22 GLN A 34 95.646 -0.394 -1.817 1.00 0.00 H new ATOM 528 N ASP A 46 100.770 -10.054 -12.012 1.00 0.00 N ATOM 529 CA ASP A 46 100.905 -8.647 -12.373 1.00 0.00 C ATOM 530 C ASP A 46 101.717 -7.884 -11.332 1.00 0.00 C ATOM 531 O ASP A 46 102.375 -6.895 -11.654 1.00 0.00 O ATOM 532 CB ASP A 46 99.525 -8.007 -12.536 1.00 0.00 C ATOM 533 CG ASP A 46 99.182 -7.738 -13.988 1.00 0.00 C ATOM 534 OD1 ASP A 46 99.027 -8.715 -14.750 1.00 0.00 O ATOM 535 OD2 ASP A 46 99.071 -6.553 -14.363 1.00 0.00 O ATOM 0 HA ASP A 46 101.438 -8.594 -13.323 1.00 0.00 H new ATOM 0 HB2 ASP A 46 98.770 -8.662 -12.102 1.00 0.00 H new ATOM 0 HB3 ASP A 46 99.493 -7.071 -11.978 1.00 0.00 H new ATOM 540 N GLU A 47 101.671 -8.345 -10.086 1.00 0.00 N ATOM 541 CA GLU A 47 102.409 -7.689 -9.012 1.00 0.00 C ATOM 542 C GLU A 47 103.889 -8.046 -9.067 1.00 0.00 C ATOM 543 O GLU A 47 104.749 -7.177 -8.916 1.00 0.00 O ATOM 544 CB GLU A 47 101.839 -8.062 -7.645 1.00 0.00 C ATOM 545 CG GLU A 47 101.519 -9.541 -7.488 1.00 0.00 C ATOM 546 CD GLU A 47 101.222 -9.922 -6.052 1.00 0.00 C ATOM 547 OE1 GLU A 47 100.058 -9.768 -5.625 1.00 0.00 O ATOM 548 OE2 GLU A 47 102.153 -10.376 -5.352 1.00 0.00 O ATOM 0 H GLU A 47 101.135 -9.163 -9.796 1.00 0.00 H new ATOM 0 HA GLU A 47 102.302 -6.614 -9.154 1.00 0.00 H new ATOM 0 HB2 GLU A 47 102.553 -7.772 -6.874 1.00 0.00 H new ATOM 0 HB3 GLU A 47 100.931 -7.484 -7.472 1.00 0.00 H new ATOM 0 HG2 GLU A 47 100.661 -9.792 -8.112 1.00 0.00 H new ATOM 0 HG3 GLU A 47 102.360 -10.132 -7.851 1.00 0.00 H new ATOM 555 N LYS A 48 104.185 -9.322 -9.290 1.00 0.00 N ATOM 556 CA LYS A 48 105.568 -9.775 -9.371 1.00 0.00 C ATOM 557 C LYS A 48 106.311 -8.985 -10.439 1.00 0.00 C ATOM 558 O LYS A 48 107.494 -8.676 -10.294 1.00 0.00 O ATOM 559 CB LYS A 48 105.627 -11.271 -9.684 1.00 0.00 C ATOM 560 CG LYS A 48 105.364 -12.155 -8.475 1.00 0.00 C ATOM 561 CD LYS A 48 106.544 -12.155 -7.515 1.00 0.00 C ATOM 562 CE LYS A 48 106.135 -11.699 -6.123 1.00 0.00 C ATOM 563 NZ LYS A 48 106.286 -10.227 -5.953 1.00 0.00 N ATOM 0 H LYS A 48 103.489 -10.057 -9.417 1.00 0.00 H new ATOM 0 HA LYS A 48 106.047 -9.607 -8.406 1.00 0.00 H new ATOM 0 HB2 LYS A 48 104.895 -11.501 -10.458 1.00 0.00 H new ATOM 0 HB3 LYS A 48 106.609 -11.510 -10.092 1.00 0.00 H new ATOM 0 HG2 LYS A 48 104.471 -11.806 -7.956 1.00 0.00 H new ATOM 0 HG3 LYS A 48 105.163 -13.174 -8.805 1.00 0.00 H new ATOM 0 HD2 LYS A 48 106.968 -13.157 -7.460 1.00 0.00 H new ATOM 0 HD3 LYS A 48 107.325 -11.499 -7.898 1.00 0.00 H new ATOM 0 HE2 LYS A 48 105.098 -11.981 -5.939 1.00 0.00 H new ATOM 0 HE3 LYS A 48 106.743 -12.214 -5.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 106.382 -10.002 -4.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 107.134 -9.904 -6.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 105.448 -9.745 -6.336 1.00 0.00 H new ATOM 577 N LEU A 49 105.597 -8.654 -11.509 1.00 0.00 N ATOM 578 CA LEU A 49 106.166 -7.893 -12.609 1.00 0.00 C ATOM 579 C LEU A 49 106.034 -6.390 -12.359 1.00 0.00 C ATOM 580 O LEU A 49 106.766 -5.591 -12.945 1.00 0.00 O ATOM 581 CB LEU A 49 105.478 -8.285 -13.920 1.00 0.00 C ATOM 582 CG LEU A 49 104.240 -7.463 -14.292 1.00 0.00 C ATOM 583 CD1 LEU A 49 104.642 -6.201 -15.038 1.00 0.00 C ATOM 584 CD2 LEU A 49 103.280 -8.297 -15.127 1.00 0.00 C ATOM 0 H LEU A 49 104.616 -8.904 -11.636 1.00 0.00 H new ATOM 0 HA LEU A 49 107.228 -8.126 -12.683 1.00 0.00 H new ATOM 0 HB2 LEU A 49 106.204 -8.201 -14.729 1.00 0.00 H new ATOM 0 HB3 LEU A 49 105.190 -9.334 -13.858 1.00 0.00 H new ATOM 0 HG LEU A 49 103.731 -7.170 -13.374 1.00 0.00 H new ATOM 0 HD11 LEU A 49 103.750 -5.630 -15.294 1.00 0.00 H new ATOM 0 HD12 LEU A 49 105.291 -5.596 -14.405 1.00 0.00 H new ATOM 0 HD13 LEU A 49 105.174 -6.471 -15.950 1.00 0.00 H new ATOM 0 HD21 LEU A 49 102.406 -7.698 -15.383 1.00 0.00 H new ATOM 0 HD22 LEU A 49 103.779 -8.620 -16.041 1.00 0.00 H new ATOM 0 HD23 LEU A 49 102.967 -9.171 -14.556 1.00 0.00 H new ATOM 596 N ARG A 50 105.099 -6.007 -11.488 1.00 0.00 N ATOM 597 CA ARG A 50 104.887 -4.596 -11.175 1.00 0.00 C ATOM 598 C ARG A 50 105.850 -4.119 -10.093 1.00 0.00 C ATOM 599 O ARG A 50 105.998 -2.917 -9.868 1.00 0.00 O ATOM 600 CB ARG A 50 103.445 -4.359 -10.724 1.00 0.00 C ATOM 601 CG ARG A 50 102.521 -3.918 -11.849 1.00 0.00 C ATOM 602 CD ARG A 50 102.578 -2.413 -12.054 1.00 0.00 C ATOM 603 NE ARG A 50 101.790 -1.695 -11.055 1.00 0.00 N ATOM 604 CZ ARG A 50 101.949 -0.404 -10.771 1.00 0.00 C ATOM 605 NH1 ARG A 50 102.868 0.313 -11.407 1.00 0.00 N ATOM 606 NH2 ARG A 50 101.190 0.171 -9.849 1.00 0.00 N ATOM 0 H ARG A 50 104.482 -6.649 -10.991 1.00 0.00 H new ATOM 0 HA ARG A 50 105.078 -4.024 -12.083 1.00 0.00 H new ATOM 0 HB2 ARG A 50 103.055 -5.277 -10.283 1.00 0.00 H new ATOM 0 HB3 ARG A 50 103.438 -3.601 -9.941 1.00 0.00 H new ATOM 0 HG2 ARG A 50 102.802 -4.424 -12.773 1.00 0.00 H new ATOM 0 HG3 ARG A 50 101.498 -4.217 -11.621 1.00 0.00 H new ATOM 0 HD2 ARG A 50 103.615 -2.080 -12.006 1.00 0.00 H new ATOM 0 HD3 ARG A 50 102.210 -2.169 -13.050 1.00 0.00 H new ATOM 0 HE ARG A 50 101.075 -2.214 -10.545 1.00 0.00 H new ATOM 0 HH11 ARG A 50 103.456 -0.125 -12.116 1.00 0.00 H new ATOM 0 HH12 ARG A 50 102.986 1.302 -11.186 1.00 0.00 H new ATOM 0 HH21 ARG A 50 100.484 -0.376 -9.357 1.00 0.00 H new ATOM 0 HH22 ARG A 50 101.312 1.160 -9.632 1.00 0.00 H new ATOM 620 N ASP A 51 106.502 -5.064 -9.422 1.00 0.00 N ATOM 621 CA ASP A 51 107.445 -4.731 -8.366 1.00 0.00 C ATOM 622 C ASP A 51 108.697 -4.077 -8.940 1.00 0.00 C ATOM 623 O ASP A 51 109.158 -3.055 -8.436 1.00 0.00 O ATOM 624 CB ASP A 51 107.823 -5.987 -7.577 1.00 0.00 C ATOM 625 CG ASP A 51 107.090 -6.078 -6.254 1.00 0.00 C ATOM 626 OD1 ASP A 51 105.878 -5.776 -6.225 1.00 0.00 O ATOM 627 OD2 ASP A 51 107.727 -6.450 -5.246 1.00 0.00 O ATOM 0 H ASP A 51 106.393 -6.064 -9.592 1.00 0.00 H new ATOM 0 HA ASP A 51 106.964 -4.020 -7.694 1.00 0.00 H new ATOM 0 HB2 ASP A 51 107.599 -6.870 -8.175 1.00 0.00 H new ATOM 0 HB3 ASP A 51 108.898 -5.989 -7.395 1.00 0.00 H new ATOM 632 N LEU A 52 109.241 -4.673 -10.000 1.00 0.00 N ATOM 633 CA LEU A 52 110.443 -4.148 -10.645 1.00 0.00 C ATOM 634 C LEU A 52 110.333 -2.643 -10.861 1.00 0.00 C ATOM 635 O LEU A 52 111.331 -1.924 -10.832 1.00 0.00 O ATOM 636 CB LEU A 52 110.676 -4.853 -11.984 1.00 0.00 C ATOM 637 CG LEU A 52 109.568 -4.663 -13.021 1.00 0.00 C ATOM 638 CD1 LEU A 52 109.886 -3.489 -13.933 1.00 0.00 C ATOM 639 CD2 LEU A 52 109.372 -5.935 -13.834 1.00 0.00 C ATOM 0 H LEU A 52 108.868 -5.520 -10.430 1.00 0.00 H new ATOM 0 HA LEU A 52 111.291 -4.340 -9.988 1.00 0.00 H new ATOM 0 HB2 LEU A 52 111.614 -4.493 -12.408 1.00 0.00 H new ATOM 0 HB3 LEU A 52 110.799 -5.920 -11.798 1.00 0.00 H new ATOM 0 HG LEU A 52 108.639 -4.446 -12.494 1.00 0.00 H new ATOM 0 HD11 LEU A 52 109.087 -3.369 -14.664 1.00 0.00 H new ATOM 0 HD12 LEU A 52 109.973 -2.580 -13.338 1.00 0.00 H new ATOM 0 HD13 LEU A 52 110.827 -3.675 -14.451 1.00 0.00 H new ATOM 0 HD21 LEU A 52 108.580 -5.780 -14.566 1.00 0.00 H new ATOM 0 HD22 LEU A 52 110.299 -6.184 -14.350 1.00 0.00 H new ATOM 0 HD23 LEU A 52 109.096 -6.753 -13.169 1.00 0.00 H new ATOM 651 N TYR A 53 109.108 -2.176 -11.070 1.00 0.00 N ATOM 652 CA TYR A 53 108.855 -0.757 -11.289 1.00 0.00 C ATOM 653 C TYR A 53 108.911 0.018 -9.977 1.00 0.00 C ATOM 654 O TYR A 53 109.667 0.978 -9.841 1.00 0.00 O ATOM 655 CB TYR A 53 107.485 -0.562 -11.936 1.00 0.00 C ATOM 656 CG TYR A 53 107.452 0.583 -12.920 1.00 0.00 C ATOM 657 CD1 TYR A 53 107.505 1.900 -12.481 1.00 0.00 C ATOM 658 CD2 TYR A 53 107.388 0.348 -14.287 1.00 0.00 C ATOM 659 CE1 TYR A 53 107.491 2.950 -13.378 1.00 0.00 C ATOM 660 CE2 TYR A 53 107.376 1.393 -15.191 1.00 0.00 C ATOM 661 CZ TYR A 53 107.427 2.693 -14.731 1.00 0.00 C ATOM 662 OH TYR A 53 107.417 3.736 -15.628 1.00 0.00 O ATOM 0 H TYR A 53 108.273 -2.761 -11.092 1.00 0.00 H new ATOM 0 HA TYR A 53 109.631 -0.376 -11.953 1.00 0.00 H new ATOM 0 HB2 TYR A 53 107.197 -1.481 -12.447 1.00 0.00 H new ATOM 0 HB3 TYR A 53 106.744 -0.385 -11.157 1.00 0.00 H new ATOM 0 HD1 TYR A 53 107.558 2.106 -11.422 1.00 0.00 H new ATOM 0 HD2 TYR A 53 107.347 -0.668 -14.650 1.00 0.00 H new ATOM 0 HE1 TYR A 53 107.530 3.969 -13.021 1.00 0.00 H new ATOM 0 HE2 TYR A 53 107.327 1.193 -16.251 1.00 0.00 H new ATOM 0 HH TYR A 53 107.370 3.382 -16.541 1.00 0.00 H new ATOM 672 N SER A 54 108.089 -0.403 -9.019 1.00 0.00 N ATOM 673 CA SER A 54 108.020 0.255 -7.714 1.00 0.00 C ATOM 674 C SER A 54 109.189 -0.118 -6.804 1.00 0.00 C ATOM 675 O SER A 54 109.189 0.215 -5.620 1.00 0.00 O ATOM 676 CB SER A 54 106.696 -0.085 -7.024 1.00 0.00 C ATOM 677 OG SER A 54 105.603 0.528 -7.688 1.00 0.00 O ATOM 0 H SER A 54 107.459 -1.199 -9.121 1.00 0.00 H new ATOM 0 HA SER A 54 108.081 1.328 -7.895 1.00 0.00 H new ATOM 0 HB2 SER A 54 106.557 -1.166 -7.009 1.00 0.00 H new ATOM 0 HB3 SER A 54 106.727 0.246 -5.986 1.00 0.00 H new ATOM 0 HG SER A 54 104.769 0.294 -7.229 1.00 0.00 H new ATOM 683 N LYS A 55 110.188 -0.786 -7.362 1.00 0.00 N ATOM 684 CA LYS A 55 111.369 -1.181 -6.593 1.00 0.00 C ATOM 685 C LYS A 55 112.615 -0.469 -7.110 1.00 0.00 C ATOM 686 O LYS A 55 113.605 -0.331 -6.391 1.00 0.00 O ATOM 687 CB LYS A 55 111.572 -2.699 -6.646 1.00 0.00 C ATOM 688 CG LYS A 55 111.656 -3.350 -5.276 1.00 0.00 C ATOM 689 CD LYS A 55 113.086 -3.380 -4.759 1.00 0.00 C ATOM 690 CE LYS A 55 113.137 -3.222 -3.247 1.00 0.00 C ATOM 691 NZ LYS A 55 113.729 -4.417 -2.584 1.00 0.00 N ATOM 0 H LYS A 55 110.209 -1.067 -8.342 1.00 0.00 H new ATOM 0 HA LYS A 55 111.205 -0.888 -5.556 1.00 0.00 H new ATOM 0 HB2 LYS A 55 110.749 -3.148 -7.202 1.00 0.00 H new ATOM 0 HB3 LYS A 55 112.486 -2.916 -7.199 1.00 0.00 H new ATOM 0 HG2 LYS A 55 111.026 -2.805 -4.574 1.00 0.00 H new ATOM 0 HG3 LYS A 55 111.267 -4.367 -5.331 1.00 0.00 H new ATOM 0 HD2 LYS A 55 113.557 -4.321 -5.043 1.00 0.00 H new ATOM 0 HD3 LYS A 55 113.660 -2.581 -5.229 1.00 0.00 H new ATOM 0 HE2 LYS A 55 113.723 -2.339 -2.994 1.00 0.00 H new ATOM 0 HE3 LYS A 55 112.130 -3.056 -2.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 113.746 -4.270 -1.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 113.156 -5.256 -2.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 114.699 -4.560 -2.929 1.00 0.00 H new ATOM 705 N SER A 56 112.557 -0.014 -8.357 1.00 0.00 N ATOM 706 CA SER A 56 113.678 0.688 -8.971 1.00 0.00 C ATOM 707 C SER A 56 113.346 2.162 -9.193 1.00 0.00 C ATOM 708 O SER A 56 114.102 2.884 -9.843 1.00 0.00 O ATOM 709 CB SER A 56 114.039 0.037 -10.305 1.00 0.00 C ATOM 710 OG SER A 56 114.290 -1.348 -10.147 1.00 0.00 O ATOM 0 H SER A 56 111.744 -0.119 -8.963 1.00 0.00 H new ATOM 0 HA SER A 56 114.529 0.623 -8.293 1.00 0.00 H new ATOM 0 HB2 SER A 56 113.226 0.183 -11.016 1.00 0.00 H new ATOM 0 HB3 SER A 56 114.920 0.524 -10.724 1.00 0.00 H new ATOM 0 HG SER A 56 113.465 -1.851 -10.312 1.00 0.00 H new ATOM 716 N THR A 57 112.209 2.607 -8.658 1.00 0.00 N ATOM 717 CA THR A 57 111.784 3.994 -8.813 1.00 0.00 C ATOM 718 C THR A 57 111.630 4.690 -7.462 1.00 0.00 C ATOM 719 O THR A 57 111.677 5.918 -7.385 1.00 0.00 O ATOM 720 CB THR A 57 110.463 4.061 -9.581 1.00 0.00 C ATOM 721 OG1 THR A 57 110.143 5.401 -9.911 1.00 0.00 O ATOM 722 CG2 THR A 57 109.290 3.484 -8.816 1.00 0.00 C ATOM 0 H THR A 57 111.569 2.027 -8.115 1.00 0.00 H new ATOM 0 HA THR A 57 112.559 4.514 -9.376 1.00 0.00 H new ATOM 0 HB THR A 57 110.621 3.459 -10.476 1.00 0.00 H new ATOM 0 HG1 THR A 57 109.296 5.423 -10.403 1.00 0.00 H new ATOM 0 HG21 THR A 57 108.386 3.565 -9.420 1.00 0.00 H new ATOM 0 HG22 THR A 57 109.483 2.435 -8.590 1.00 0.00 H new ATOM 0 HG23 THR A 57 109.155 4.036 -7.886 1.00 0.00 H new ATOM 730 N ALA A 58 111.437 3.911 -6.399 1.00 0.00 N ATOM 731 CA ALA A 58 111.270 4.483 -5.066 1.00 0.00 C ATOM 732 C ALA A 58 111.892 3.601 -3.993 1.00 0.00 C ATOM 733 O ALA A 58 112.586 4.091 -3.102 1.00 0.00 O ATOM 734 CB ALA A 58 109.797 4.716 -4.773 1.00 0.00 C ATOM 0 H ALA A 58 111.393 2.893 -6.434 1.00 0.00 H new ATOM 0 HA ALA A 58 111.792 5.440 -5.048 1.00 0.00 H new ATOM 0 HB1 ALA A 58 109.687 5.143 -3.776 1.00 0.00 H new ATOM 0 HB2 ALA A 58 109.384 5.405 -5.510 1.00 0.00 H new ATOM 0 HB3 ALA A 58 109.262 3.768 -4.823 1.00 0.00 H new ATOM 740 N ALA A 59 111.646 2.300 -4.078 1.00 0.00 N ATOM 741 CA ALA A 59 112.193 1.367 -3.103 1.00 0.00 C ATOM 742 C ALA A 59 113.720 1.369 -3.127 1.00 0.00 C ATOM 743 O ALA A 59 114.359 0.849 -2.214 1.00 0.00 O ATOM 744 CB ALA A 59 111.659 -0.034 -3.351 1.00 0.00 C ATOM 0 H ALA A 59 111.076 1.870 -4.806 1.00 0.00 H new ATOM 0 HA ALA A 59 111.875 1.694 -2.113 1.00 0.00 H new ATOM 0 HB1 ALA A 59 112.078 -0.719 -2.614 1.00 0.00 H new ATOM 0 HB2 ALA A 59 110.572 -0.029 -3.266 1.00 0.00 H new ATOM 0 HB3 ALA A 59 111.943 -0.360 -4.351 1.00 0.00 H new ATOM 750 N MET A 60 114.303 1.955 -4.174 1.00 0.00 N ATOM 751 CA MET A 60 115.756 2.013 -4.298 1.00 0.00 C ATOM 752 C MET A 60 116.266 3.436 -4.098 1.00 0.00 C ATOM 753 O MET A 60 117.345 3.649 -3.545 1.00 0.00 O ATOM 754 CB MET A 60 116.194 1.483 -5.667 1.00 0.00 C ATOM 755 CG MET A 60 115.871 2.408 -6.833 1.00 0.00 C ATOM 756 SD MET A 60 117.207 2.497 -8.041 1.00 0.00 S ATOM 757 CE MET A 60 117.663 4.224 -7.910 1.00 0.00 C ATOM 0 H MET A 60 113.794 2.393 -4.942 1.00 0.00 H new ATOM 0 HA MET A 60 116.187 1.384 -3.519 1.00 0.00 H new ATOM 0 HB2 MET A 60 117.269 1.305 -5.647 1.00 0.00 H new ATOM 0 HB3 MET A 60 115.715 0.519 -5.840 1.00 0.00 H new ATOM 0 HG2 MET A 60 114.963 2.061 -7.326 1.00 0.00 H new ATOM 0 HG3 MET A 60 115.664 3.408 -6.452 1.00 0.00 H new ATOM 0 HE1 MET A 60 118.481 4.438 -8.598 1.00 0.00 H new ATOM 0 HE2 MET A 60 116.805 4.847 -8.162 1.00 0.00 H new ATOM 0 HE3 MET A 60 117.982 4.440 -6.890 1.00 0.00 H new ATOM 767 N SER A 61 115.487 4.404 -4.566 1.00 0.00 N ATOM 768 CA SER A 61 115.855 5.810 -4.455 1.00 0.00 C ATOM 769 C SER A 61 115.681 6.317 -3.027 1.00 0.00 C ATOM 770 O SER A 61 116.374 7.239 -2.599 1.00 0.00 O ATOM 771 CB SER A 61 115.015 6.654 -5.417 1.00 0.00 C ATOM 772 OG SER A 61 115.840 7.410 -6.286 1.00 0.00 O ATOM 0 H SER A 61 114.593 4.240 -5.028 1.00 0.00 H new ATOM 0 HA SER A 61 116.908 5.903 -4.721 1.00 0.00 H new ATOM 0 HB2 SER A 61 114.364 6.004 -6.002 1.00 0.00 H new ATOM 0 HB3 SER A 61 114.369 7.324 -4.849 1.00 0.00 H new ATOM 0 HG SER A 61 115.279 7.939 -6.891 1.00 0.00 H new ATOM 778 N THR A 62 114.751 5.713 -2.295 1.00 0.00 N ATOM 779 CA THR A 62 114.491 6.111 -0.918 1.00 0.00 C ATOM 780 C THR A 62 115.399 5.359 0.050 1.00 0.00 C ATOM 781 O THR A 62 115.814 5.903 1.073 1.00 0.00 O ATOM 782 CB THR A 62 113.026 5.858 -0.560 1.00 0.00 C ATOM 783 OG1 THR A 62 112.167 6.430 -1.530 1.00 0.00 O ATOM 784 CG2 THR A 62 112.633 6.421 0.789 1.00 0.00 C ATOM 0 H THR A 62 114.166 4.948 -2.632 1.00 0.00 H new ATOM 0 HA THR A 62 114.702 7.177 -0.830 1.00 0.00 H new ATOM 0 HB THR A 62 112.920 4.774 -0.528 1.00 0.00 H new ATOM 0 HG1 THR A 62 112.082 5.820 -2.292 1.00 0.00 H new ATOM 0 HG21 THR A 62 111.582 6.207 0.980 1.00 0.00 H new ATOM 0 HG22 THR A 62 113.244 5.963 1.567 1.00 0.00 H new ATOM 0 HG23 THR A 62 112.790 7.500 0.793 1.00 0.00 H new ATOM 792 N TYR A 63 115.699 4.106 -0.276 1.00 0.00 N ATOM 793 CA TYR A 63 116.545 3.276 0.560 1.00 0.00 C ATOM 794 C TYR A 63 118.018 3.622 0.380 1.00 0.00 C ATOM 795 O TYR A 63 118.808 3.515 1.316 1.00 0.00 O ATOM 796 CB TYR A 63 116.312 1.821 0.200 1.00 0.00 C ATOM 797 CG TYR A 63 115.895 0.962 1.371 1.00 0.00 C ATOM 798 CD1 TYR A 63 116.775 0.697 2.411 1.00 0.00 C ATOM 799 CD2 TYR A 63 114.618 0.419 1.439 1.00 0.00 C ATOM 800 CE1 TYR A 63 116.398 -0.084 3.486 1.00 0.00 C ATOM 801 CE2 TYR A 63 114.232 -0.363 2.510 1.00 0.00 C ATOM 802 CZ TYR A 63 115.124 -0.611 3.531 1.00 0.00 C ATOM 803 OH TYR A 63 114.743 -1.389 4.599 1.00 0.00 O ATOM 0 H TYR A 63 115.363 3.644 -1.121 1.00 0.00 H new ATOM 0 HA TYR A 63 116.288 3.455 1.604 1.00 0.00 H new ATOM 0 HB2 TYR A 63 115.543 1.766 -0.571 1.00 0.00 H new ATOM 0 HB3 TYR A 63 117.226 1.412 -0.231 1.00 0.00 H new ATOM 0 HD1 TYR A 63 117.773 1.109 2.379 1.00 0.00 H new ATOM 0 HD2 TYR A 63 113.916 0.612 0.641 1.00 0.00 H new ATOM 0 HE1 TYR A 63 117.096 -0.281 4.286 1.00 0.00 H new ATOM 0 HE2 TYR A 63 113.236 -0.778 2.547 1.00 0.00 H new ATOM 0 HH TYR A 63 113.815 -1.680 4.477 1.00 0.00 H new ATOM 813 N THR A 64 118.383 4.042 -0.829 1.00 0.00 N ATOM 814 CA THR A 64 119.767 4.409 -1.117 1.00 0.00 C ATOM 815 C THR A 64 120.254 5.436 -0.107 1.00 0.00 C ATOM 816 O THR A 64 121.450 5.551 0.162 1.00 0.00 O ATOM 817 CB THR A 64 119.902 4.966 -2.537 1.00 0.00 C ATOM 818 OG1 THR A 64 118.718 5.638 -2.932 1.00 0.00 O ATOM 819 CG2 THR A 64 120.204 3.901 -3.571 1.00 0.00 C ATOM 0 H THR A 64 117.745 4.136 -1.619 1.00 0.00 H new ATOM 0 HA THR A 64 120.381 3.512 -1.042 1.00 0.00 H new ATOM 0 HB THR A 64 120.745 5.656 -2.497 1.00 0.00 H new ATOM 0 HG1 THR A 64 118.077 4.989 -3.289 1.00 0.00 H new ATOM 0 HG21 THR A 64 120.287 4.362 -4.555 1.00 0.00 H new ATOM 0 HG22 THR A 64 121.143 3.407 -3.321 1.00 0.00 H new ATOM 0 HG23 THR A 64 119.399 3.166 -3.582 1.00 0.00 H new ATOM 827 N GLY A 65 119.304 6.169 0.456 1.00 0.00 N ATOM 828 CA GLY A 65 119.625 7.173 1.446 1.00 0.00 C ATOM 829 C GLY A 65 119.536 6.628 2.857 1.00 0.00 C ATOM 830 O GLY A 65 120.137 7.179 3.779 1.00 0.00 O ATOM 0 H GLY A 65 118.310 6.084 0.242 1.00 0.00 H new ATOM 0 HA2 GLY A 65 120.632 7.551 1.266 1.00 0.00 H new ATOM 0 HA3 GLY A 65 118.944 8.017 1.340 1.00 0.00 H new ATOM 834 N ILE A 66 118.789 5.537 3.030 1.00 0.00 N ATOM 835 CA ILE A 66 118.638 4.920 4.341 1.00 0.00 C ATOM 836 C ILE A 66 119.651 3.800 4.540 1.00 0.00 C ATOM 837 O ILE A 66 119.926 3.386 5.665 1.00 0.00 O ATOM 838 CB ILE A 66 117.216 4.364 4.544 1.00 0.00 C ATOM 839 CG1 ILE A 66 116.177 5.447 4.246 1.00 0.00 C ATOM 840 CG2 ILE A 66 117.048 3.841 5.962 1.00 0.00 C ATOM 841 CD1 ILE A 66 116.299 6.661 5.140 1.00 0.00 C ATOM 0 H ILE A 66 118.282 5.067 2.280 1.00 0.00 H new ATOM 0 HA ILE A 66 118.817 5.700 5.081 1.00 0.00 H new ATOM 0 HB ILE A 66 117.063 3.536 3.852 1.00 0.00 H new ATOM 0 HG12 ILE A 66 116.277 5.759 3.207 1.00 0.00 H new ATOM 0 HG13 ILE A 66 115.179 5.023 4.357 1.00 0.00 H new ATOM 0 HG21 ILE A 66 116.038 3.452 6.089 1.00 0.00 H new ATOM 0 HG22 ILE A 66 117.769 3.044 6.144 1.00 0.00 H new ATOM 0 HG23 ILE A 66 117.216 4.652 6.671 1.00 0.00 H new ATOM 0 HD11 ILE A 66 115.532 7.388 4.873 1.00 0.00 H new ATOM 0 HD12 ILE A 66 116.169 6.362 6.180 1.00 0.00 H new ATOM 0 HD13 ILE A 66 117.284 7.110 5.012 1.00 0.00 H new ATOM 853 N PHE A 67 120.210 3.323 3.436 1.00 0.00 N ATOM 854 CA PHE A 67 121.197 2.261 3.468 1.00 0.00 C ATOM 855 C PHE A 67 122.470 2.729 4.159 1.00 0.00 C ATOM 856 O PHE A 67 122.876 2.178 5.181 1.00 0.00 O ATOM 857 CB PHE A 67 121.495 1.821 2.040 1.00 0.00 C ATOM 858 CG PHE A 67 121.522 0.331 1.864 1.00 0.00 C ATOM 859 CD1 PHE A 67 120.362 -0.415 2.000 1.00 0.00 C ATOM 860 CD2 PHE A 67 122.707 -0.325 1.571 1.00 0.00 C ATOM 861 CE1 PHE A 67 120.384 -1.788 1.846 1.00 0.00 C ATOM 862 CE2 PHE A 67 122.734 -1.698 1.416 1.00 0.00 C ATOM 863 CZ PHE A 67 121.571 -2.430 1.554 1.00 0.00 C ATOM 0 H PHE A 67 119.991 3.662 2.499 1.00 0.00 H new ATOM 0 HA PHE A 67 120.803 1.418 4.035 1.00 0.00 H new ATOM 0 HB2 PHE A 67 120.743 2.244 1.374 1.00 0.00 H new ATOM 0 HB3 PHE A 67 122.457 2.232 1.735 1.00 0.00 H new ATOM 0 HD1 PHE A 67 119.431 0.082 2.229 1.00 0.00 H new ATOM 0 HD2 PHE A 67 123.619 0.243 1.463 1.00 0.00 H new ATOM 0 HE1 PHE A 67 119.473 -2.359 1.954 1.00 0.00 H new ATOM 0 HE2 PHE A 67 123.664 -2.198 1.187 1.00 0.00 H new ATOM 0 HZ PHE A 67 121.590 -3.503 1.434 1.00 0.00 H new ATOM 873 N THR A 68 123.087 3.755 3.591 1.00 0.00 N ATOM 874 CA THR A 68 124.315 4.316 4.143 1.00 0.00 C ATOM 875 C THR A 68 124.059 4.961 5.502 1.00 0.00 C ATOM 876 O THR A 68 124.961 5.061 6.333 1.00 0.00 O ATOM 877 CB THR A 68 124.906 5.348 3.179 1.00 0.00 C ATOM 878 OG1 THR A 68 124.313 5.238 1.897 1.00 0.00 O ATOM 879 CG2 THR A 68 126.403 5.211 3.004 1.00 0.00 C ATOM 0 H THR A 68 122.757 4.219 2.745 1.00 0.00 H new ATOM 0 HA THR A 68 125.028 3.502 4.277 1.00 0.00 H new ATOM 0 HB THR A 68 124.694 6.318 3.629 1.00 0.00 H new ATOM 0 HG1 THR A 68 124.704 5.907 1.297 1.00 0.00 H new ATOM 0 HG21 THR A 68 126.759 5.971 2.309 1.00 0.00 H new ATOM 0 HG22 THR A 68 126.895 5.341 3.968 1.00 0.00 H new ATOM 0 HG23 THR A 68 126.634 4.222 2.609 1.00 0.00 H new ATOM 887 N ASP A 69 122.822 5.401 5.722 1.00 0.00 N ATOM 888 CA ASP A 69 122.451 6.038 6.981 1.00 0.00 C ATOM 889 C ASP A 69 122.753 5.131 8.170 1.00 0.00 C ATOM 890 O ASP A 69 122.991 5.607 9.279 1.00 0.00 O ATOM 891 CB ASP A 69 120.966 6.407 6.969 1.00 0.00 C ATOM 892 CG ASP A 69 120.665 7.628 7.814 1.00 0.00 C ATOM 893 OD1 ASP A 69 121.593 8.430 8.055 1.00 0.00 O ATOM 894 OD2 ASP A 69 119.500 7.786 8.237 1.00 0.00 O ATOM 0 H ASP A 69 122.062 5.328 5.046 1.00 0.00 H new ATOM 0 HA ASP A 69 123.046 6.945 7.086 1.00 0.00 H new ATOM 0 HB2 ASP A 69 120.649 6.592 5.943 1.00 0.00 H new ATOM 0 HB3 ASP A 69 120.382 5.563 7.335 1.00 0.00 H new ATOM 899 N GLN A 70 122.746 3.825 7.932 1.00 0.00 N ATOM 900 CA GLN A 70 123.024 2.855 8.985 1.00 0.00 C ATOM 901 C GLN A 70 124.444 2.299 8.869 1.00 0.00 C ATOM 902 O GLN A 70 124.802 1.347 9.561 1.00 0.00 O ATOM 903 CB GLN A 70 122.010 1.710 8.933 1.00 0.00 C ATOM 904 CG GLN A 70 121.974 0.870 10.199 1.00 0.00 C ATOM 905 CD GLN A 70 120.768 1.174 11.068 1.00 0.00 C ATOM 906 OE1 GLN A 70 120.906 1.651 12.195 1.00 0.00 O ATOM 907 NE2 GLN A 70 119.578 0.899 10.547 1.00 0.00 N ATOM 0 H GLN A 70 122.551 3.413 7.020 1.00 0.00 H new ATOM 0 HA GLN A 70 122.937 3.369 9.942 1.00 0.00 H new ATOM 0 HB2 GLN A 70 121.017 2.123 8.753 1.00 0.00 H new ATOM 0 HB3 GLN A 70 122.246 1.066 8.086 1.00 0.00 H new ATOM 0 HG2 GLN A 70 121.966 -0.186 9.930 1.00 0.00 H new ATOM 0 HG3 GLN A 70 122.884 1.045 10.773 1.00 0.00 H new ATOM 0 HE21 GLN A 70 119.511 0.504 9.609 1.00 0.00 H new ATOM 0 HE22 GLN A 70 118.731 1.083 11.085 1.00 0.00 H new ATOM 916 N VAL A 71 125.249 2.899 7.993 1.00 0.00 N ATOM 917 CA VAL A 71 126.625 2.461 7.789 1.00 0.00 C ATOM 918 C VAL A 71 127.602 3.407 8.473 1.00 0.00 C ATOM 919 O VAL A 71 128.491 2.974 9.204 1.00 0.00 O ATOM 920 CB VAL A 71 126.959 2.383 6.287 1.00 0.00 C ATOM 921 CG1 VAL A 71 128.404 1.953 6.064 1.00 0.00 C ATOM 922 CG2 VAL A 71 126.004 1.434 5.581 1.00 0.00 C ATOM 0 H VAL A 71 124.969 3.691 7.414 1.00 0.00 H new ATOM 0 HA VAL A 71 126.722 1.468 8.229 1.00 0.00 H new ATOM 0 HB VAL A 71 126.839 3.380 5.863 1.00 0.00 H new ATOM 0 HG11 VAL A 71 128.609 1.907 4.994 1.00 0.00 H new ATOM 0 HG12 VAL A 71 129.074 2.674 6.532 1.00 0.00 H new ATOM 0 HG13 VAL A 71 128.563 0.970 6.506 1.00 0.00 H new ATOM 0 HG21 VAL A 71 126.253 1.390 4.521 1.00 0.00 H new ATOM 0 HG22 VAL A 71 126.092 0.439 6.016 1.00 0.00 H new ATOM 0 HG23 VAL A 71 124.981 1.792 5.699 1.00 0.00 H new ATOM 932 N LEU A 72 127.427 4.704 8.247 1.00 0.00 N ATOM 933 CA LEU A 72 128.291 5.697 8.857 1.00 0.00 C ATOM 934 C LEU A 72 127.845 5.953 10.288 1.00 0.00 C ATOM 935 O LEU A 72 128.649 6.294 11.155 1.00 0.00 O ATOM 936 CB LEU A 72 128.277 7.004 8.056 1.00 0.00 C ATOM 937 CG LEU A 72 126.921 7.395 7.458 1.00 0.00 C ATOM 938 CD1 LEU A 72 126.663 8.883 7.640 1.00 0.00 C ATOM 939 CD2 LEU A 72 126.864 7.021 5.984 1.00 0.00 C ATOM 0 H LEU A 72 126.696 5.087 7.647 1.00 0.00 H new ATOM 0 HA LEU A 72 129.312 5.315 8.859 1.00 0.00 H new ATOM 0 HB2 LEU A 72 128.615 7.812 8.705 1.00 0.00 H new ATOM 0 HB3 LEU A 72 129.002 6.922 7.246 1.00 0.00 H new ATOM 0 HG LEU A 72 126.141 6.846 7.986 1.00 0.00 H new ATOM 0 HD11 LEU A 72 125.696 9.140 7.209 1.00 0.00 H new ATOM 0 HD12 LEU A 72 126.662 9.125 8.703 1.00 0.00 H new ATOM 0 HD13 LEU A 72 127.446 9.452 7.139 1.00 0.00 H new ATOM 0 HD21 LEU A 72 125.895 7.305 5.574 1.00 0.00 H new ATOM 0 HD22 LEU A 72 127.654 7.544 5.445 1.00 0.00 H new ATOM 0 HD23 LEU A 72 127.003 5.945 5.876 1.00 0.00 H new ATOM 951 N SER A 73 126.548 5.778 10.523 1.00 0.00 N ATOM 952 CA SER A 73 125.971 5.981 11.842 1.00 0.00 C ATOM 953 C SER A 73 126.472 4.934 12.835 1.00 0.00 C ATOM 954 O SER A 73 126.392 5.129 14.047 1.00 0.00 O ATOM 955 CB SER A 73 124.446 5.926 11.757 1.00 0.00 C ATOM 956 OG SER A 73 123.850 6.377 12.961 1.00 0.00 O ATOM 0 H SER A 73 125.876 5.494 9.810 1.00 0.00 H new ATOM 0 HA SER A 73 126.282 6.963 12.199 1.00 0.00 H new ATOM 0 HB2 SER A 73 124.103 6.541 10.925 1.00 0.00 H new ATOM 0 HB3 SER A 73 124.127 4.904 11.550 1.00 0.00 H new ATOM 0 HG SER A 73 122.874 6.333 12.880 1.00 0.00 H new ATOM 962 N VAL A 74 126.980 3.821 12.317 1.00 0.00 N ATOM 963 CA VAL A 74 127.477 2.744 13.166 1.00 0.00 C ATOM 964 C VAL A 74 128.931 2.388 12.862 1.00 0.00 C ATOM 965 O VAL A 74 129.597 1.746 13.674 1.00 0.00 O ATOM 966 CB VAL A 74 126.625 1.476 12.993 1.00 0.00 C ATOM 967 CG1 VAL A 74 127.001 0.429 14.031 1.00 0.00 C ATOM 968 CG2 VAL A 74 125.143 1.808 13.070 1.00 0.00 C ATOM 0 H VAL A 74 127.058 3.641 11.316 1.00 0.00 H new ATOM 0 HA VAL A 74 127.412 3.110 14.191 1.00 0.00 H new ATOM 0 HB VAL A 74 126.827 1.061 12.005 1.00 0.00 H new ATOM 0 HG11 VAL A 74 126.386 -0.460 13.890 1.00 0.00 H new ATOM 0 HG12 VAL A 74 128.052 0.165 13.917 1.00 0.00 H new ATOM 0 HG13 VAL A 74 126.834 0.831 15.030 1.00 0.00 H new ATOM 0 HG21 VAL A 74 124.559 0.896 12.945 1.00 0.00 H new ATOM 0 HG22 VAL A 74 124.920 2.252 14.040 1.00 0.00 H new ATOM 0 HG23 VAL A 74 124.887 2.514 12.280 1.00 0.00 H new ATOM 978 N LEU A 75 129.414 2.771 11.682 1.00 0.00 N ATOM 979 CA LEU A 75 130.786 2.441 11.288 1.00 0.00 C ATOM 980 C LEU A 75 131.684 3.671 11.139 1.00 0.00 C ATOM 981 O LEU A 75 132.906 3.538 11.089 1.00 0.00 O ATOM 982 CB LEU A 75 130.773 1.649 9.979 1.00 0.00 C ATOM 983 CG LEU A 75 129.696 0.565 9.895 1.00 0.00 C ATOM 984 CD1 LEU A 75 129.623 -0.006 8.487 1.00 0.00 C ATOM 985 CD2 LEU A 75 129.973 -0.539 10.905 1.00 0.00 C ATOM 0 H LEU A 75 128.887 3.302 10.989 1.00 0.00 H new ATOM 0 HA LEU A 75 131.207 1.839 12.093 1.00 0.00 H new ATOM 0 HB2 LEU A 75 130.634 2.345 9.151 1.00 0.00 H new ATOM 0 HB3 LEU A 75 131.749 1.183 9.843 1.00 0.00 H new ATOM 0 HG LEU A 75 128.733 1.016 10.133 1.00 0.00 H new ATOM 0 HD11 LEU A 75 128.852 -0.775 8.446 1.00 0.00 H new ATOM 0 HD12 LEU A 75 129.379 0.790 7.784 1.00 0.00 H new ATOM 0 HD13 LEU A 75 130.586 -0.443 8.221 1.00 0.00 H new ATOM 0 HD21 LEU A 75 129.198 -1.302 10.832 1.00 0.00 H new ATOM 0 HD22 LEU A 75 130.944 -0.988 10.696 1.00 0.00 H new ATOM 0 HD23 LEU A 75 129.976 -0.119 11.911 1.00 0.00 H new ATOM 997 N LYS A 76 131.096 4.862 11.061 1.00 0.00 N ATOM 998 CA LYS A 76 131.888 6.078 10.911 1.00 0.00 C ATOM 999 C LYS A 76 131.927 6.877 12.209 1.00 0.00 C ATOM 1000 O LYS A 76 132.738 7.791 12.361 1.00 0.00 O ATOM 1001 CB LYS A 76 131.306 6.939 9.796 1.00 0.00 C ATOM 1002 CG LYS A 76 132.025 6.780 8.466 1.00 0.00 C ATOM 1003 CD LYS A 76 132.291 8.124 7.809 1.00 0.00 C ATOM 1004 CE LYS A 76 133.480 8.056 6.865 1.00 0.00 C ATOM 1005 NZ LYS A 76 134.775 8.077 7.600 1.00 0.00 N ATOM 0 H LYS A 76 130.087 5.010 11.099 1.00 0.00 H new ATOM 0 HA LYS A 76 132.908 5.788 10.658 1.00 0.00 H new ATOM 0 HB2 LYS A 76 130.254 6.685 9.664 1.00 0.00 H new ATOM 0 HB3 LYS A 76 131.346 7.986 10.098 1.00 0.00 H new ATOM 0 HG2 LYS A 76 132.969 6.258 8.622 1.00 0.00 H new ATOM 0 HG3 LYS A 76 131.425 6.161 7.799 1.00 0.00 H new ATOM 0 HD2 LYS A 76 131.406 8.443 7.259 1.00 0.00 H new ATOM 0 HD3 LYS A 76 132.477 8.875 8.577 1.00 0.00 H new ATOM 0 HE2 LYS A 76 133.417 7.147 6.267 1.00 0.00 H new ATOM 0 HE3 LYS A 76 133.442 8.897 6.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 135.560 8.115 6.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 134.811 8.914 8.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 134.860 7.217 8.179 1.00 0.00 H new ATOM 1019 N GLY A 77 131.037 6.541 13.131 1.00 0.00 N ATOM 1020 CA GLY A 77 130.974 7.248 14.390 1.00 0.00 C ATOM 1021 C GLY A 77 129.686 8.025 14.510 1.00 0.00 C ATOM 1022 O GLY A 77 129.677 9.173 14.953 1.00 0.00 O ATOM 0 H GLY A 77 130.356 5.789 13.028 1.00 0.00 H new ATOM 0 HA2 GLY A 77 131.053 6.539 15.214 1.00 0.00 H new ATOM 0 HA3 GLY A 77 131.822 7.928 14.472 1.00 0.00 H new ATOM 1026 N GLU A 78 128.591 7.388 14.108 1.00 0.00 N ATOM 1027 CA GLU A 78 127.282 8.008 14.160 1.00 0.00 C ATOM 1028 C GLU A 78 127.185 9.165 13.167 1.00 0.00 C ATOM 1029 O GLU A 78 126.905 10.301 13.551 1.00 0.00 O ATOM 1030 CB GLU A 78 127.009 8.488 15.578 1.00 0.00 C ATOM 1031 CG GLU A 78 125.553 8.365 15.997 1.00 0.00 C ATOM 1032 CD GLU A 78 124.968 9.682 16.466 1.00 0.00 C ATOM 1033 OE1 GLU A 78 125.631 10.376 17.265 1.00 0.00 O ATOM 1034 OE2 GLU A 78 123.846 10.020 16.034 1.00 0.00 O ATOM 0 H GLU A 78 128.590 6.436 13.741 1.00 0.00 H new ATOM 0 HA GLU A 78 126.529 7.272 13.879 1.00 0.00 H new ATOM 0 HB2 GLU A 78 127.626 7.916 16.271 1.00 0.00 H new ATOM 0 HB3 GLU A 78 127.316 9.530 15.664 1.00 0.00 H new ATOM 0 HG2 GLU A 78 124.968 7.990 15.157 1.00 0.00 H new ATOM 0 HG3 GLU A 78 125.470 7.629 16.797 1.00 0.00 H new ATOM 1041 N GLU A 79 127.418 8.871 11.885 1.00 0.00 N ATOM 1042 CA GLU A 79 127.351 9.895 10.852 1.00 0.00 C ATOM 1043 C GLU A 79 128.428 10.953 11.068 1.00 0.00 C ATOM 1044 O GLU A 79 128.324 11.708 12.056 1.00 0.00 O ATOM 1045 CB GLU A 79 125.968 10.550 10.840 1.00 0.00 C ATOM 1046 CG GLU A 79 124.821 9.554 10.902 1.00 0.00 C ATOM 1047 CD GLU A 79 123.735 9.974 11.875 1.00 0.00 C ATOM 1048 OE1 GLU A 79 124.079 10.472 12.968 1.00 0.00 O ATOM 1049 OE2 GLU A 79 122.543 9.806 11.544 1.00 0.00 O ATOM 0 H GLU A 79 127.652 7.939 11.544 1.00 0.00 H new ATOM 0 HA GLU A 79 127.524 9.417 9.888 1.00 0.00 H new ATOM 0 HB2 GLU A 79 125.891 11.233 11.686 1.00 0.00 H new ATOM 0 HB3 GLU A 79 125.868 11.151 9.936 1.00 0.00 H new ATOM 0 HG2 GLU A 79 124.389 9.441 9.908 1.00 0.00 H new ATOM 0 HG3 GLU A 79 125.208 8.578 11.194 1.00 0.00 H new