USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 606 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 Single : A 3 MET CE :methyl -157:sc= -4.39! (180deg=-6.81!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 GLN : amide:sc= -2 K(o=-2,f=-3!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 162:sc= -10.8! (180deg=-12.4!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 179:sc= 0 (180deg=-0.00167) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0577 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0283 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 149:sc= 0.0132 USER MOD Single : A 46 MET CE :methyl -114:sc= -3.49 (180deg=-5.9!) USER MOD Single : A 48 MET CE :methyl 176:sc= 0 (180deg=-0.0376) USER MOD Single : A 51 GLN : amide:sc= -1.57! C(o=-1.6!,f=-5.7!) USER MOD Single : A 52 ASN : amide:sc= -3.02 K(o=-3,f=-14!) USER MOD Single : A 54 THR OG1 : rot 180:sc= -3.03! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -27:sc= 0.319 USER MOD Single : A 81 MET CE :methyl 153:sc= -7.57! (180deg=-9.66!) USER MOD Single : A 82 MET CE :methyl 153:sc= -16.7! (180deg=-18.5!) USER MOD Single : A 85 GLN : amide:sc= -0.698 X(o=-0.7,f=-0.45) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N MET A 3 63.927 -6.520 -10.878 1.00 0.00 N ATOM 25 CA MET A 3 63.994 -5.384 -9.916 1.00 0.00 C ATOM 26 C MET A 3 62.692 -4.581 -9.956 1.00 0.00 C ATOM 27 O MET A 3 62.130 -4.240 -8.934 1.00 0.00 O ATOM 28 CB MET A 3 65.166 -4.528 -10.396 1.00 0.00 C ATOM 29 CG MET A 3 66.399 -4.825 -9.540 1.00 0.00 C ATOM 30 SD MET A 3 66.824 -3.362 -8.565 1.00 0.00 S ATOM 31 CE MET A 3 67.712 -2.472 -9.867 1.00 0.00 C ATOM 0 HA MET A 3 64.129 -5.720 -8.888 1.00 0.00 H new ATOM 0 HB2 MET A 3 65.379 -4.738 -11.444 1.00 0.00 H new ATOM 0 HB3 MET A 3 64.910 -3.471 -10.329 1.00 0.00 H new ATOM 0 HG2 MET A 3 66.202 -5.670 -8.880 1.00 0.00 H new ATOM 0 HG3 MET A 3 67.238 -5.107 -10.177 1.00 0.00 H new ATOM 0 HE1 MET A 3 68.399 -1.756 -9.415 1.00 0.00 H new ATOM 0 HE2 MET A 3 68.275 -3.181 -10.474 1.00 0.00 H new ATOM 0 HE3 MET A 3 66.998 -1.942 -10.497 1.00 0.00 H new ATOM 41 N THR A 4 62.209 -4.275 -11.129 1.00 0.00 N ATOM 42 CA THR A 4 60.943 -3.494 -11.234 1.00 0.00 C ATOM 43 C THR A 4 59.834 -4.177 -10.430 1.00 0.00 C ATOM 44 O THR A 4 58.906 -3.543 -9.971 1.00 0.00 O ATOM 45 CB THR A 4 60.603 -3.492 -12.725 1.00 0.00 C ATOM 46 OG1 THR A 4 59.348 -2.857 -12.922 1.00 0.00 O ATOM 47 CG2 THR A 4 60.535 -4.932 -13.237 1.00 0.00 C ATOM 0 H THR A 4 62.636 -4.532 -12.019 1.00 0.00 H new ATOM 0 HA THR A 4 61.045 -2.483 -10.838 1.00 0.00 H new ATOM 0 HB THR A 4 61.374 -2.951 -13.273 1.00 0.00 H new ATOM 0 HG1 THR A 4 59.129 -2.854 -13.877 1.00 0.00 H new ATOM 0 HG21 THR A 4 60.293 -4.929 -14.300 1.00 0.00 H new ATOM 0 HG22 THR A 4 61.499 -5.418 -13.086 1.00 0.00 H new ATOM 0 HG23 THR A 4 59.765 -5.476 -12.691 1.00 0.00 H new ATOM 55 N ASP A 5 59.926 -5.467 -10.255 1.00 0.00 N ATOM 56 CA ASP A 5 58.879 -6.190 -9.479 1.00 0.00 C ATOM 57 C ASP A 5 59.261 -6.240 -7.997 1.00 0.00 C ATOM 58 O ASP A 5 58.422 -6.132 -7.126 1.00 0.00 O ATOM 59 CB ASP A 5 58.849 -7.600 -10.073 1.00 0.00 C ATOM 60 CG ASP A 5 57.889 -7.633 -11.263 1.00 0.00 C ATOM 61 OD1 ASP A 5 56.816 -7.064 -11.150 1.00 0.00 O ATOM 62 OD2 ASP A 5 58.244 -8.227 -12.268 1.00 0.00 O ATOM 0 H ASP A 5 60.680 -6.051 -10.616 1.00 0.00 H new ATOM 0 HA ASP A 5 57.907 -5.701 -9.541 1.00 0.00 H new ATOM 0 HB2 ASP A 5 59.849 -7.893 -10.391 1.00 0.00 H new ATOM 0 HB3 ASP A 5 58.532 -8.318 -9.317 1.00 0.00 H new ATOM 67 N GLN A 6 60.522 -6.405 -7.707 1.00 0.00 N ATOM 68 CA GLN A 6 60.960 -6.462 -6.282 1.00 0.00 C ATOM 69 C GLN A 6 60.685 -5.125 -5.589 1.00 0.00 C ATOM 70 O GLN A 6 60.667 -5.035 -4.378 1.00 0.00 O ATOM 71 CB GLN A 6 62.464 -6.735 -6.341 1.00 0.00 C ATOM 72 CG GLN A 6 62.916 -7.390 -5.035 1.00 0.00 C ATOM 73 CD GLN A 6 62.730 -8.905 -5.133 1.00 0.00 C ATOM 74 OE1 GLN A 6 61.765 -9.443 -4.627 1.00 0.00 O ATOM 75 NE2 GLN A 6 63.619 -9.619 -5.766 1.00 0.00 N ATOM 0 H GLN A 6 61.269 -6.503 -8.395 1.00 0.00 H new ATOM 0 HA GLN A 6 60.428 -7.227 -5.717 1.00 0.00 H new ATOM 0 HB2 GLN A 6 62.693 -7.386 -7.185 1.00 0.00 H new ATOM 0 HB3 GLN A 6 63.007 -5.804 -6.500 1.00 0.00 H new ATOM 0 HG2 GLN A 6 63.962 -7.153 -4.840 1.00 0.00 H new ATOM 0 HG3 GLN A 6 62.339 -6.995 -4.199 1.00 0.00 H new ATOM 0 HE21 GLN A 6 64.429 -9.166 -6.190 1.00 0.00 H new ATOM 0 HE22 GLN A 6 63.505 -10.630 -5.837 1.00 0.00 H new ATOM 84 N GLN A 7 60.473 -4.085 -6.348 1.00 0.00 N ATOM 85 CA GLN A 7 60.201 -2.756 -5.730 1.00 0.00 C ATOM 86 C GLN A 7 58.778 -2.711 -5.168 1.00 0.00 C ATOM 87 O GLN A 7 58.575 -2.576 -3.978 1.00 0.00 O ATOM 88 CB GLN A 7 60.360 -1.749 -6.871 1.00 0.00 C ATOM 89 CG GLN A 7 61.803 -1.239 -6.905 1.00 0.00 C ATOM 90 CD GLN A 7 62.270 -1.124 -8.358 1.00 0.00 C ATOM 91 OE1 GLN A 7 62.965 -1.988 -8.854 1.00 0.00 O ATOM 92 NE2 GLN A 7 61.917 -0.085 -9.064 1.00 0.00 N ATOM 0 H GLN A 7 60.476 -4.098 -7.368 1.00 0.00 H new ATOM 0 HA GLN A 7 60.874 -2.542 -4.900 1.00 0.00 H new ATOM 0 HB2 GLN A 7 60.106 -2.218 -7.822 1.00 0.00 H new ATOM 0 HB3 GLN A 7 59.672 -0.915 -6.733 1.00 0.00 H new ATOM 0 HG2 GLN A 7 61.869 -0.269 -6.413 1.00 0.00 H new ATOM 0 HG3 GLN A 7 62.453 -1.920 -6.356 1.00 0.00 H new ATOM 0 HE21 GLN A 7 61.333 0.640 -8.647 1.00 0.00 H new ATOM 0 HE22 GLN A 7 62.225 0.002 -10.033 1.00 0.00 H new ATOM 101 N ALA A 8 57.789 -2.827 -6.013 1.00 0.00 N ATOM 102 CA ALA A 8 56.381 -2.788 -5.522 1.00 0.00 C ATOM 103 C ALA A 8 56.219 -3.710 -4.311 1.00 0.00 C ATOM 104 O ALA A 8 55.537 -3.384 -3.360 1.00 0.00 O ATOM 105 CB ALA A 8 55.539 -3.290 -6.696 1.00 0.00 C ATOM 0 H ALA A 8 57.895 -2.947 -7.020 1.00 0.00 H new ATOM 0 HA ALA A 8 56.081 -1.790 -5.203 1.00 0.00 H new ATOM 0 HB1 ALA A 8 54.486 -3.291 -6.414 1.00 0.00 H new ATOM 0 HB2 ALA A 8 55.684 -2.634 -7.554 1.00 0.00 H new ATOM 0 HB3 ALA A 8 55.846 -4.303 -6.957 1.00 0.00 H new ATOM 111 N GLU A 9 56.841 -4.855 -4.336 1.00 0.00 N ATOM 112 CA GLU A 9 56.724 -5.792 -3.182 1.00 0.00 C ATOM 113 C GLU A 9 57.707 -5.390 -2.078 1.00 0.00 C ATOM 114 O GLU A 9 57.613 -5.844 -0.955 1.00 0.00 O ATOM 115 CB GLU A 9 57.084 -7.165 -3.750 1.00 0.00 C ATOM 116 CG GLU A 9 56.376 -8.256 -2.942 1.00 0.00 C ATOM 117 CD GLU A 9 57.175 -9.557 -3.033 1.00 0.00 C ATOM 118 OE1 GLU A 9 58.378 -9.506 -2.838 1.00 0.00 O ATOM 119 OE2 GLU A 9 56.569 -10.583 -3.297 1.00 0.00 O ATOM 0 H GLU A 9 57.425 -5.184 -5.105 1.00 0.00 H new ATOM 0 HA GLU A 9 55.728 -5.784 -2.739 1.00 0.00 H new ATOM 0 HB2 GLU A 9 56.789 -7.225 -4.798 1.00 0.00 H new ATOM 0 HB3 GLU A 9 58.163 -7.313 -3.713 1.00 0.00 H new ATOM 0 HG2 GLU A 9 56.280 -7.948 -1.901 1.00 0.00 H new ATOM 0 HG3 GLU A 9 55.367 -8.409 -3.324 1.00 0.00 H new ATOM 126 N ALA A 10 58.650 -4.543 -2.392 1.00 0.00 N ATOM 127 CA ALA A 10 59.643 -4.111 -1.365 1.00 0.00 C ATOM 128 C ALA A 10 59.045 -3.027 -0.461 1.00 0.00 C ATOM 129 O ALA A 10 59.450 -2.862 0.673 1.00 0.00 O ATOM 130 CB ALA A 10 60.817 -3.546 -2.165 1.00 0.00 C ATOM 0 H ALA A 10 58.776 -4.131 -3.316 1.00 0.00 H new ATOM 0 HA ALA A 10 59.943 -4.933 -0.716 1.00 0.00 H new ATOM 0 HB1 ALA A 10 61.593 -3.205 -1.480 1.00 0.00 H new ATOM 0 HB2 ALA A 10 61.222 -4.322 -2.815 1.00 0.00 H new ATOM 0 HB3 ALA A 10 60.474 -2.708 -2.771 1.00 0.00 H new ATOM 136 N ARG A 11 58.091 -2.284 -0.953 1.00 0.00 N ATOM 137 CA ARG A 11 57.479 -1.208 -0.117 1.00 0.00 C ATOM 138 C ARG A 11 56.232 -1.736 0.594 1.00 0.00 C ATOM 139 O ARG A 11 56.005 -1.466 1.757 1.00 0.00 O ATOM 140 CB ARG A 11 57.090 -0.100 -1.099 1.00 0.00 C ATOM 141 CG ARG A 11 58.198 0.097 -2.135 1.00 0.00 C ATOM 142 CD ARG A 11 57.652 -0.225 -3.529 1.00 0.00 C ATOM 143 NE ARG A 11 56.995 1.032 -3.980 1.00 0.00 N ATOM 144 CZ ARG A 11 56.069 1.583 -3.244 1.00 0.00 C ATOM 145 NH1 ARG A 11 54.872 1.066 -3.209 1.00 0.00 N ATOM 146 NH2 ARG A 11 56.341 2.649 -2.543 1.00 0.00 N ATOM 0 H ARG A 11 57.709 -2.374 -1.894 1.00 0.00 H new ATOM 0 HA ARG A 11 58.166 -0.852 0.650 1.00 0.00 H new ATOM 0 HB2 ARG A 11 56.156 -0.357 -1.598 1.00 0.00 H new ATOM 0 HB3 ARG A 11 56.917 0.831 -0.559 1.00 0.00 H new ATOM 0 HG2 ARG A 11 58.563 1.124 -2.103 1.00 0.00 H new ATOM 0 HG3 ARG A 11 59.045 -0.549 -1.906 1.00 0.00 H new ATOM 0 HD2 ARG A 11 58.452 -0.519 -4.209 1.00 0.00 H new ATOM 0 HD3 ARG A 11 56.943 -1.052 -3.495 1.00 0.00 H new ATOM 0 HE ARG A 11 57.268 1.462 -4.863 1.00 0.00 H new ATOM 0 HH11 ARG A 11 54.661 0.232 -3.757 1.00 0.00 H new ATOM 0 HH12 ARG A 11 54.147 1.496 -2.634 1.00 0.00 H new ATOM 0 HH21 ARG A 11 57.278 3.052 -2.570 1.00 0.00 H new ATOM 0 HH22 ARG A 11 55.617 3.080 -1.968 1.00 0.00 H new ATOM 160 N ALA A 12 55.417 -2.480 -0.100 1.00 0.00 N ATOM 161 CA ALA A 12 54.178 -3.020 0.527 1.00 0.00 C ATOM 162 C ALA A 12 54.529 -4.055 1.602 1.00 0.00 C ATOM 163 O ALA A 12 53.683 -4.483 2.361 1.00 0.00 O ATOM 164 CB ALA A 12 53.416 -3.675 -0.624 1.00 0.00 C ATOM 0 H ALA A 12 55.556 -2.738 -1.077 1.00 0.00 H new ATOM 0 HA ALA A 12 53.591 -2.246 1.021 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.485 -4.101 -0.249 1.00 0.00 H new ATOM 0 HB2 ALA A 12 53.192 -2.927 -1.384 1.00 0.00 H new ATOM 0 HB3 ALA A 12 54.026 -4.465 -1.061 1.00 0.00 H new ATOM 170 N PHE A 13 55.768 -4.458 1.672 1.00 0.00 N ATOM 171 CA PHE A 13 56.166 -5.464 2.699 1.00 0.00 C ATOM 172 C PHE A 13 55.831 -4.949 4.104 1.00 0.00 C ATOM 173 O PHE A 13 55.677 -5.715 5.034 1.00 0.00 O ATOM 174 CB PHE A 13 57.679 -5.627 2.523 1.00 0.00 C ATOM 175 CG PHE A 13 58.276 -6.235 3.771 1.00 0.00 C ATOM 176 CD1 PHE A 13 57.969 -7.554 4.124 1.00 0.00 C ATOM 177 CD2 PHE A 13 59.131 -5.475 4.577 1.00 0.00 C ATOM 178 CE1 PHE A 13 58.520 -8.114 5.284 1.00 0.00 C ATOM 179 CE2 PHE A 13 59.681 -6.033 5.735 1.00 0.00 C ATOM 180 CZ PHE A 13 59.376 -7.353 6.090 1.00 0.00 C ATOM 0 H PHE A 13 56.521 -4.136 1.064 1.00 0.00 H new ATOM 0 HA PHE A 13 55.640 -6.411 2.581 1.00 0.00 H new ATOM 0 HB2 PHE A 13 57.888 -6.262 1.662 1.00 0.00 H new ATOM 0 HB3 PHE A 13 58.138 -4.659 2.324 1.00 0.00 H new ATOM 0 HD1 PHE A 13 57.308 -8.140 3.503 1.00 0.00 H new ATOM 0 HD2 PHE A 13 59.366 -4.457 4.304 1.00 0.00 H new ATOM 0 HE1 PHE A 13 58.285 -9.132 5.557 1.00 0.00 H new ATOM 0 HE2 PHE A 13 60.341 -5.446 6.356 1.00 0.00 H new ATOM 0 HZ PHE A 13 59.801 -7.784 6.985 1.00 0.00 H new ATOM 190 N LEU A 14 55.716 -3.659 4.264 1.00 0.00 N ATOM 191 CA LEU A 14 55.390 -3.104 5.611 1.00 0.00 C ATOM 192 C LEU A 14 54.193 -2.151 5.529 1.00 0.00 C ATOM 193 O LEU A 14 53.615 -1.953 4.479 1.00 0.00 O ATOM 194 CB LEU A 14 56.655 -2.366 6.092 1.00 0.00 C ATOM 195 CG LEU A 14 57.260 -1.473 4.992 1.00 0.00 C ATOM 196 CD1 LEU A 14 57.985 -2.334 3.955 1.00 0.00 C ATOM 197 CD2 LEU A 14 56.166 -0.648 4.305 1.00 0.00 C ATOM 0 H LEU A 14 55.833 -2.967 3.524 1.00 0.00 H new ATOM 0 HA LEU A 14 55.111 -3.894 6.308 1.00 0.00 H new ATOM 0 HB2 LEU A 14 56.409 -1.754 6.960 1.00 0.00 H new ATOM 0 HB3 LEU A 14 57.398 -3.095 6.416 1.00 0.00 H new ATOM 0 HG LEU A 14 57.973 -0.792 5.456 1.00 0.00 H new ATOM 0 HD11 LEU A 14 58.409 -1.693 3.182 1.00 0.00 H new ATOM 0 HD12 LEU A 14 58.784 -2.893 4.441 1.00 0.00 H new ATOM 0 HD13 LEU A 14 57.279 -3.030 3.502 1.00 0.00 H new ATOM 0 HD21 LEU A 14 56.613 -0.024 3.531 1.00 0.00 H new ATOM 0 HD22 LEU A 14 55.435 -1.318 3.853 1.00 0.00 H new ATOM 0 HD23 LEU A 14 55.671 -0.015 5.041 1.00 0.00 H new ATOM 209 N SER A 15 53.817 -1.561 6.631 1.00 0.00 N ATOM 210 CA SER A 15 52.658 -0.623 6.618 1.00 0.00 C ATOM 211 C SER A 15 53.087 0.744 6.078 1.00 0.00 C ATOM 212 O SER A 15 54.226 1.147 6.213 1.00 0.00 O ATOM 213 CB SER A 15 52.223 -0.512 8.078 1.00 0.00 C ATOM 214 OG SER A 15 52.202 -1.807 8.661 1.00 0.00 O ATOM 0 H SER A 15 54.262 -1.688 7.540 1.00 0.00 H new ATOM 0 HA SER A 15 51.849 -0.975 5.978 1.00 0.00 H new ATOM 0 HB2 SER A 15 52.908 0.135 8.626 1.00 0.00 H new ATOM 0 HB3 SER A 15 51.235 -0.056 8.141 1.00 0.00 H new ATOM 0 HG SER A 15 51.925 -1.739 9.599 1.00 0.00 H new ATOM 220 N GLU A 16 52.183 1.462 5.469 1.00 0.00 N ATOM 221 CA GLU A 16 52.537 2.803 4.922 1.00 0.00 C ATOM 222 C GLU A 16 53.056 3.710 6.041 1.00 0.00 C ATOM 223 O GLU A 16 53.916 4.541 5.831 1.00 0.00 O ATOM 224 CB GLU A 16 51.231 3.351 4.348 1.00 0.00 C ATOM 225 CG GLU A 16 51.484 4.724 3.722 1.00 0.00 C ATOM 226 CD GLU A 16 50.417 5.006 2.662 1.00 0.00 C ATOM 227 OE1 GLU A 16 49.387 4.355 2.699 1.00 0.00 O ATOM 228 OE2 GLU A 16 50.650 5.869 1.830 1.00 0.00 O ATOM 0 H GLU A 16 51.214 1.178 5.326 1.00 0.00 H new ATOM 0 HA GLU A 16 53.323 2.749 4.168 1.00 0.00 H new ATOM 0 HB2 GLU A 16 50.835 2.666 3.599 1.00 0.00 H new ATOM 0 HB3 GLU A 16 50.481 3.431 5.135 1.00 0.00 H new ATOM 0 HG2 GLU A 16 51.461 5.496 4.491 1.00 0.00 H new ATOM 0 HG3 GLU A 16 52.476 4.753 3.271 1.00 0.00 H new ATOM 235 N GLU A 17 52.539 3.556 7.229 1.00 0.00 N ATOM 236 CA GLU A 17 53.002 4.409 8.361 1.00 0.00 C ATOM 237 C GLU A 17 54.521 4.297 8.521 1.00 0.00 C ATOM 238 O GLU A 17 55.194 5.257 8.837 1.00 0.00 O ATOM 239 CB GLU A 17 52.289 3.854 9.594 1.00 0.00 C ATOM 240 CG GLU A 17 50.783 3.791 9.327 1.00 0.00 C ATOM 241 CD GLU A 17 50.057 4.758 10.262 1.00 0.00 C ATOM 242 OE1 GLU A 17 50.088 4.529 11.461 1.00 0.00 O ATOM 243 OE2 GLU A 17 49.481 5.712 9.765 1.00 0.00 O ATOM 0 H GLU A 17 51.816 2.876 7.465 1.00 0.00 H new ATOM 0 HA GLU A 17 52.777 5.464 8.202 1.00 0.00 H new ATOM 0 HB2 GLU A 17 52.669 2.860 9.831 1.00 0.00 H new ATOM 0 HB3 GLU A 17 52.490 4.486 10.459 1.00 0.00 H new ATOM 0 HG2 GLU A 17 50.576 4.049 8.288 1.00 0.00 H new ATOM 0 HG3 GLU A 17 50.418 2.776 9.482 1.00 0.00 H new ATOM 250 N MET A 18 55.066 3.131 8.304 1.00 0.00 N ATOM 251 CA MET A 18 56.542 2.963 8.444 1.00 0.00 C ATOM 252 C MET A 18 57.260 3.581 7.242 1.00 0.00 C ATOM 253 O MET A 18 58.292 4.208 7.379 1.00 0.00 O ATOM 254 CB MET A 18 56.770 1.452 8.485 1.00 0.00 C ATOM 255 CG MET A 18 58.234 1.166 8.818 1.00 0.00 C ATOM 256 SD MET A 18 58.882 -0.082 7.677 1.00 0.00 S ATOM 257 CE MET A 18 59.253 1.035 6.303 1.00 0.00 C ATOM 0 H MET A 18 54.556 2.289 8.037 1.00 0.00 H new ATOM 0 HA MET A 18 56.930 3.457 9.335 1.00 0.00 H new ATOM 0 HB2 MET A 18 56.120 0.996 9.232 1.00 0.00 H new ATOM 0 HB3 MET A 18 56.511 1.008 7.524 1.00 0.00 H new ATOM 0 HG2 MET A 18 58.820 2.082 8.743 1.00 0.00 H new ATOM 0 HG3 MET A 18 58.322 0.815 9.846 1.00 0.00 H new ATOM 0 HE1 MET A 18 59.947 0.549 5.617 1.00 0.00 H new ATOM 0 HE2 MET A 18 58.332 1.280 5.775 1.00 0.00 H new ATOM 0 HE3 MET A 18 59.705 1.949 6.689 1.00 0.00 H new ATOM 267 N ILE A 19 56.723 3.410 6.065 1.00 0.00 N ATOM 268 CA ILE A 19 57.376 3.988 4.856 1.00 0.00 C ATOM 269 C ILE A 19 57.856 5.412 5.149 1.00 0.00 C ATOM 270 O ILE A 19 58.880 5.844 4.660 1.00 0.00 O ATOM 271 CB ILE A 19 56.287 4.000 3.783 1.00 0.00 C ATOM 272 CG1 ILE A 19 55.990 2.564 3.343 1.00 0.00 C ATOM 273 CG2 ILE A 19 56.766 4.810 2.577 1.00 0.00 C ATOM 274 CD1 ILE A 19 55.005 2.582 2.173 1.00 0.00 C ATOM 0 H ILE A 19 55.860 2.895 5.888 1.00 0.00 H new ATOM 0 HA ILE A 19 58.248 3.414 4.543 1.00 0.00 H new ATOM 0 HB ILE A 19 55.383 4.453 4.190 1.00 0.00 H new ATOM 0 HG12 ILE A 19 56.913 2.065 3.048 1.00 0.00 H new ATOM 0 HG13 ILE A 19 55.573 1.996 4.175 1.00 0.00 H new ATOM 0 HG21 ILE A 19 55.989 4.818 1.812 1.00 0.00 H new ATOM 0 HG22 ILE A 19 56.980 5.833 2.887 1.00 0.00 H new ATOM 0 HG23 ILE A 19 57.670 4.357 2.171 1.00 0.00 H new ATOM 0 HD11 ILE A 19 54.794 1.560 1.860 1.00 0.00 H new ATOM 0 HD12 ILE A 19 54.079 3.065 2.484 1.00 0.00 H new ATOM 0 HD13 ILE A 19 55.440 3.134 1.340 1.00 0.00 H new ATOM 286 N ALA A 20 57.124 6.142 5.945 1.00 0.00 N ATOM 287 CA ALA A 20 57.541 7.536 6.271 1.00 0.00 C ATOM 288 C ALA A 20 58.758 7.519 7.199 1.00 0.00 C ATOM 289 O ALA A 20 59.640 8.349 7.096 1.00 0.00 O ATOM 290 CB ALA A 20 56.335 8.155 6.979 1.00 0.00 C ATOM 0 H ALA A 20 56.256 5.834 6.384 1.00 0.00 H new ATOM 0 HA ALA A 20 57.826 8.101 5.383 1.00 0.00 H new ATOM 0 HB1 ALA A 20 56.563 9.185 7.252 1.00 0.00 H new ATOM 0 HB2 ALA A 20 55.473 8.139 6.311 1.00 0.00 H new ATOM 0 HB3 ALA A 20 56.108 7.583 7.878 1.00 0.00 H new ATOM 296 N GLU A 21 58.814 6.580 8.103 1.00 0.00 N ATOM 297 CA GLU A 21 59.976 6.511 9.035 1.00 0.00 C ATOM 298 C GLU A 21 61.279 6.361 8.245 1.00 0.00 C ATOM 299 O GLU A 21 62.235 7.077 8.465 1.00 0.00 O ATOM 300 CB GLU A 21 59.726 5.271 9.895 1.00 0.00 C ATOM 301 CG GLU A 21 60.970 4.972 10.734 1.00 0.00 C ATOM 302 CD GLU A 21 60.570 4.810 12.201 1.00 0.00 C ATOM 303 OE1 GLU A 21 59.768 3.936 12.483 1.00 0.00 O ATOM 304 OE2 GLU A 21 61.073 5.562 13.019 1.00 0.00 O ATOM 0 H GLU A 21 58.106 5.858 8.237 1.00 0.00 H new ATOM 0 HA GLU A 21 60.072 7.413 9.640 1.00 0.00 H new ATOM 0 HB2 GLU A 21 58.866 5.434 10.545 1.00 0.00 H new ATOM 0 HB3 GLU A 21 59.489 4.417 9.260 1.00 0.00 H new ATOM 0 HG2 GLU A 21 61.453 4.063 10.376 1.00 0.00 H new ATOM 0 HG3 GLU A 21 61.694 5.780 10.631 1.00 0.00 H new ATOM 311 N PHE A 22 61.324 5.433 7.328 1.00 0.00 N ATOM 312 CA PHE A 22 62.565 5.239 6.525 1.00 0.00 C ATOM 313 C PHE A 22 62.829 6.470 5.654 1.00 0.00 C ATOM 314 O PHE A 22 63.961 6.808 5.369 1.00 0.00 O ATOM 315 CB PHE A 22 62.284 4.011 5.655 1.00 0.00 C ATOM 316 CG PHE A 22 62.220 2.764 6.514 1.00 0.00 C ATOM 317 CD1 PHE A 22 62.309 2.858 7.912 1.00 0.00 C ATOM 318 CD2 PHE A 22 62.071 1.510 5.909 1.00 0.00 C ATOM 319 CE1 PHE A 22 62.247 1.700 8.698 1.00 0.00 C ATOM 320 CE2 PHE A 22 62.009 0.354 6.696 1.00 0.00 C ATOM 321 CZ PHE A 22 62.097 0.449 8.089 1.00 0.00 C ATOM 0 H PHE A 22 60.556 4.801 7.100 1.00 0.00 H new ATOM 0 HA PHE A 22 63.447 5.101 7.151 1.00 0.00 H new ATOM 0 HB2 PHE A 22 61.343 4.142 5.121 1.00 0.00 H new ATOM 0 HB3 PHE A 22 63.065 3.903 4.902 1.00 0.00 H new ATOM 0 HD1 PHE A 22 62.425 3.824 8.382 1.00 0.00 H new ATOM 0 HD2 PHE A 22 62.004 1.435 4.834 1.00 0.00 H new ATOM 0 HE1 PHE A 22 62.315 1.773 9.773 1.00 0.00 H new ATOM 0 HE2 PHE A 22 61.893 -0.612 6.227 1.00 0.00 H new ATOM 0 HZ PHE A 22 62.049 -0.444 8.695 1.00 0.00 H new ATOM 331 N LYS A 23 61.794 7.143 5.234 1.00 0.00 N ATOM 332 CA LYS A 23 61.990 8.353 4.384 1.00 0.00 C ATOM 333 C LYS A 23 62.813 9.398 5.142 1.00 0.00 C ATOM 334 O LYS A 23 63.948 9.671 4.807 1.00 0.00 O ATOM 335 CB LYS A 23 60.580 8.877 4.107 1.00 0.00 C ATOM 336 CG LYS A 23 60.635 9.926 2.995 1.00 0.00 C ATOM 337 CD LYS A 23 60.699 9.227 1.635 1.00 0.00 C ATOM 338 CE LYS A 23 60.082 10.132 0.566 1.00 0.00 C ATOM 339 NZ LYS A 23 60.460 9.507 -0.732 1.00 0.00 N ATOM 0 H LYS A 23 60.823 6.909 5.441 1.00 0.00 H new ATOM 0 HA LYS A 23 62.528 8.130 3.462 1.00 0.00 H new ATOM 0 HB2 LYS A 23 59.926 8.055 3.814 1.00 0.00 H new ATOM 0 HB3 LYS A 23 60.158 9.313 5.012 1.00 0.00 H new ATOM 0 HG2 LYS A 23 59.756 10.569 3.044 1.00 0.00 H new ATOM 0 HG3 LYS A 23 61.507 10.567 3.128 1.00 0.00 H new ATOM 0 HD2 LYS A 23 61.734 8.999 1.380 1.00 0.00 H new ATOM 0 HD3 LYS A 23 60.164 8.278 1.676 1.00 0.00 H new ATOM 0 HE2 LYS A 23 58.999 10.191 0.675 1.00 0.00 H new ATOM 0 HE3 LYS A 23 60.466 11.150 0.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 60.073 10.071 -1.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 61.496 9.471 -0.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 60.075 8.542 -0.778 1.00 0.00 H new ATOM 353 N ALA A 24 62.250 9.983 6.164 1.00 0.00 N ATOM 354 CA ALA A 24 63.003 11.007 6.945 1.00 0.00 C ATOM 355 C ALA A 24 64.432 10.522 7.204 1.00 0.00 C ATOM 356 O ALA A 24 65.392 11.220 6.945 1.00 0.00 O ATOM 357 CB ALA A 24 62.236 11.145 8.259 1.00 0.00 C ATOM 0 H ALA A 24 61.302 9.797 6.492 1.00 0.00 H new ATOM 0 HA ALA A 24 63.080 11.958 6.418 1.00 0.00 H new ATOM 0 HB1 ALA A 24 62.729 11.883 8.892 1.00 0.00 H new ATOM 0 HB2 ALA A 24 61.215 11.467 8.052 1.00 0.00 H new ATOM 0 HB3 ALA A 24 62.216 10.183 8.771 1.00 0.00 H new ATOM 363 N ALA A 25 64.579 9.327 7.709 1.00 0.00 N ATOM 364 CA ALA A 25 65.945 8.794 7.981 1.00 0.00 C ATOM 365 C ALA A 25 66.720 8.646 6.670 1.00 0.00 C ATOM 366 O ALA A 25 67.896 8.938 6.595 1.00 0.00 O ATOM 367 CB ALA A 25 65.717 7.428 8.627 1.00 0.00 C ATOM 0 H ALA A 25 63.812 8.697 7.945 1.00 0.00 H new ATOM 0 HA ALA A 25 66.527 9.454 8.624 1.00 0.00 H new ATOM 0 HB1 ALA A 25 66.679 6.970 8.858 1.00 0.00 H new ATOM 0 HB2 ALA A 25 65.144 7.551 9.546 1.00 0.00 H new ATOM 0 HB3 ALA A 25 65.166 6.787 7.939 1.00 0.00 H new ATOM 373 N PHE A 26 66.066 8.193 5.635 1.00 0.00 N ATOM 374 CA PHE A 26 66.761 8.027 4.328 1.00 0.00 C ATOM 375 C PHE A 26 67.167 9.395 3.771 1.00 0.00 C ATOM 376 O PHE A 26 68.188 9.537 3.129 1.00 0.00 O ATOM 377 CB PHE A 26 65.731 7.356 3.416 1.00 0.00 C ATOM 378 CG PHE A 26 66.151 7.514 1.974 1.00 0.00 C ATOM 379 CD1 PHE A 26 65.892 8.712 1.298 1.00 0.00 C ATOM 380 CD2 PHE A 26 66.800 6.465 1.314 1.00 0.00 C ATOM 381 CE1 PHE A 26 66.282 8.860 -0.038 1.00 0.00 C ATOM 382 CE2 PHE A 26 67.192 6.613 -0.022 1.00 0.00 C ATOM 383 CZ PHE A 26 66.933 7.812 -0.698 1.00 0.00 C ATOM 0 H PHE A 26 65.080 7.931 5.639 1.00 0.00 H new ATOM 0 HA PHE A 26 67.673 7.436 4.414 1.00 0.00 H new ATOM 0 HB2 PHE A 26 65.643 6.299 3.666 1.00 0.00 H new ATOM 0 HB3 PHE A 26 64.749 7.802 3.570 1.00 0.00 H new ATOM 0 HD1 PHE A 26 65.391 9.522 1.807 1.00 0.00 H new ATOM 0 HD2 PHE A 26 66.999 5.540 1.835 1.00 0.00 H new ATOM 0 HE1 PHE A 26 66.080 9.784 -0.560 1.00 0.00 H new ATOM 0 HE2 PHE A 26 67.694 5.803 -0.531 1.00 0.00 H new ATOM 0 HZ PHE A 26 67.236 7.928 -1.728 1.00 0.00 H new ATOM 393 N ASP A 27 66.374 10.404 4.012 1.00 0.00 N ATOM 394 CA ASP A 27 66.716 11.761 3.496 1.00 0.00 C ATOM 395 C ASP A 27 67.938 12.316 4.232 1.00 0.00 C ATOM 396 O ASP A 27 68.446 13.370 3.905 1.00 0.00 O ATOM 397 CB ASP A 27 65.483 12.616 3.784 1.00 0.00 C ATOM 398 CG ASP A 27 64.497 12.504 2.620 1.00 0.00 C ATOM 399 OD1 ASP A 27 64.655 11.593 1.823 1.00 0.00 O ATOM 400 OD2 ASP A 27 63.602 13.328 2.544 1.00 0.00 O ATOM 0 H ASP A 27 65.505 10.348 4.543 1.00 0.00 H new ATOM 0 HA ASP A 27 66.965 11.748 2.435 1.00 0.00 H new ATOM 0 HB2 ASP A 27 65.008 12.288 4.709 1.00 0.00 H new ATOM 0 HB3 ASP A 27 65.775 13.656 3.928 1.00 0.00 H new ATOM 405 N MET A 28 68.415 11.615 5.224 1.00 0.00 N ATOM 406 CA MET A 28 69.603 12.106 5.977 1.00 0.00 C ATOM 407 C MET A 28 70.801 12.255 5.036 1.00 0.00 C ATOM 408 O MET A 28 71.737 12.978 5.317 1.00 0.00 O ATOM 409 CB MET A 28 69.878 11.031 7.028 1.00 0.00 C ATOM 410 CG MET A 28 68.755 11.035 8.067 1.00 0.00 C ATOM 411 SD MET A 28 68.843 12.554 9.046 1.00 0.00 S ATOM 412 CE MET A 28 67.087 12.984 8.955 1.00 0.00 C ATOM 0 H MET A 28 68.034 10.725 5.545 1.00 0.00 H new ATOM 0 HA MET A 28 69.431 13.083 6.429 1.00 0.00 H new ATOM 0 HB2 MET A 28 69.945 10.052 6.553 1.00 0.00 H new ATOM 0 HB3 MET A 28 70.837 11.217 7.512 1.00 0.00 H new ATOM 0 HG2 MET A 28 67.787 10.965 7.572 1.00 0.00 H new ATOM 0 HG3 MET A 28 68.844 10.165 8.718 1.00 0.00 H new ATOM 0 HE1 MET A 28 66.907 13.900 9.518 1.00 0.00 H new ATOM 0 HE2 MET A 28 66.803 13.137 7.914 1.00 0.00 H new ATOM 0 HE3 MET A 28 66.492 12.175 9.378 1.00 0.00 H new ATOM 422 N PHE A 29 70.785 11.573 3.922 1.00 0.00 N ATOM 423 CA PHE A 29 71.933 11.676 2.971 1.00 0.00 C ATOM 424 C PHE A 29 71.437 12.093 1.583 1.00 0.00 C ATOM 425 O PHE A 29 72.094 11.866 0.586 1.00 0.00 O ATOM 426 CB PHE A 29 72.551 10.271 2.916 1.00 0.00 C ATOM 427 CG PHE A 29 72.443 9.604 4.269 1.00 0.00 C ATOM 428 CD1 PHE A 29 73.449 9.786 5.224 1.00 0.00 C ATOM 429 CD2 PHE A 29 71.329 8.810 4.565 1.00 0.00 C ATOM 430 CE1 PHE A 29 73.341 9.171 6.477 1.00 0.00 C ATOM 431 CE2 PHE A 29 71.222 8.195 5.816 1.00 0.00 C ATOM 432 CZ PHE A 29 72.228 8.376 6.774 1.00 0.00 C ATOM 0 H PHE A 29 70.031 10.951 3.629 1.00 0.00 H new ATOM 0 HA PHE A 29 72.658 12.424 3.292 1.00 0.00 H new ATOM 0 HB2 PHE A 29 72.041 9.670 2.163 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.597 10.336 2.616 1.00 0.00 H new ATOM 0 HD1 PHE A 29 74.308 10.400 4.995 1.00 0.00 H new ATOM 0 HD2 PHE A 29 70.552 8.672 3.827 1.00 0.00 H new ATOM 0 HE1 PHE A 29 74.117 9.310 7.215 1.00 0.00 H new ATOM 0 HE2 PHE A 29 70.364 7.580 6.044 1.00 0.00 H new ATOM 0 HZ PHE A 29 72.145 7.902 7.741 1.00 0.00 H new ATOM 442 N ASP A 30 70.284 12.700 1.508 1.00 0.00 N ATOM 443 CA ASP A 30 69.752 13.130 0.181 1.00 0.00 C ATOM 444 C ASP A 30 69.941 14.638 -0.003 1.00 0.00 C ATOM 445 O ASP A 30 69.002 15.363 -0.265 1.00 0.00 O ATOM 446 CB ASP A 30 68.265 12.773 0.214 1.00 0.00 C ATOM 447 CG ASP A 30 67.525 13.736 1.146 1.00 0.00 C ATOM 448 OD1 ASP A 30 68.190 14.465 1.864 1.00 0.00 O ATOM 449 OD2 ASP A 30 66.305 13.729 1.127 1.00 0.00 O ATOM 0 H ASP A 30 69.687 12.917 2.306 1.00 0.00 H new ATOM 0 HA ASP A 30 70.268 12.644 -0.647 1.00 0.00 H new ATOM 0 HB2 ASP A 30 67.845 12.829 -0.790 1.00 0.00 H new ATOM 0 HB3 ASP A 30 68.135 11.747 0.557 1.00 0.00 H new ATOM 490 N GLY A 35 65.831 11.913 -3.372 1.00 0.00 N ATOM 491 CA GLY A 35 65.117 10.606 -3.443 1.00 0.00 C ATOM 492 C GLY A 35 66.137 9.470 -3.518 1.00 0.00 C ATOM 493 O GLY A 35 65.813 8.317 -3.311 1.00 0.00 O ATOM 0 HA2 GLY A 35 64.480 10.480 -2.567 1.00 0.00 H new ATOM 0 HA3 GLY A 35 64.466 10.582 -4.317 1.00 0.00 H new ATOM 497 N ASP A 36 67.369 9.784 -3.812 1.00 0.00 N ATOM 498 CA ASP A 36 68.409 8.719 -3.899 1.00 0.00 C ATOM 499 C ASP A 36 69.723 9.208 -3.285 1.00 0.00 C ATOM 500 O ASP A 36 70.277 10.207 -3.698 1.00 0.00 O ATOM 501 CB ASP A 36 68.585 8.457 -5.395 1.00 0.00 C ATOM 502 CG ASP A 36 68.830 9.782 -6.120 1.00 0.00 C ATOM 503 OD1 ASP A 36 68.846 10.804 -5.456 1.00 0.00 O ATOM 504 OD2 ASP A 36 68.998 9.750 -7.328 1.00 0.00 O ATOM 0 H ASP A 36 67.701 10.731 -3.996 1.00 0.00 H new ATOM 0 HA ASP A 36 68.121 7.818 -3.357 1.00 0.00 H new ATOM 0 HB2 ASP A 36 69.423 7.780 -5.560 1.00 0.00 H new ATOM 0 HB3 ASP A 36 67.697 7.969 -5.797 1.00 0.00 H new ATOM 509 N ILE A 37 70.226 8.512 -2.304 1.00 0.00 N ATOM 510 CA ILE A 37 71.505 8.941 -1.669 1.00 0.00 C ATOM 511 C ILE A 37 72.689 8.252 -2.354 1.00 0.00 C ATOM 512 O ILE A 37 72.519 7.352 -3.151 1.00 0.00 O ATOM 513 CB ILE A 37 71.394 8.501 -0.208 1.00 0.00 C ATOM 514 CG1 ILE A 37 71.372 6.973 -0.131 1.00 0.00 C ATOM 515 CG2 ILE A 37 70.103 9.058 0.396 1.00 0.00 C ATOM 516 CD1 ILE A 37 71.247 6.538 1.330 1.00 0.00 C ATOM 0 H ILE A 37 69.809 7.667 -1.915 1.00 0.00 H new ATOM 0 HA ILE A 37 71.670 10.015 -1.755 1.00 0.00 H new ATOM 0 HB ILE A 37 72.251 8.880 0.349 1.00 0.00 H new ATOM 0 HG12 ILE A 37 70.537 6.581 -0.711 1.00 0.00 H new ATOM 0 HG13 ILE A 37 72.283 6.563 -0.567 1.00 0.00 H new ATOM 0 HG21 ILE A 37 70.024 8.745 1.437 1.00 0.00 H new ATOM 0 HG22 ILE A 37 70.117 10.147 0.345 1.00 0.00 H new ATOM 0 HG23 ILE A 37 69.247 8.680 -0.163 1.00 0.00 H new ATOM 0 HD11 ILE A 37 71.231 5.450 1.385 1.00 0.00 H new ATOM 0 HD12 ILE A 37 72.097 6.918 1.897 1.00 0.00 H new ATOM 0 HD13 ILE A 37 70.323 6.936 1.750 1.00 0.00 H new ATOM 528 N SER A 38 73.887 8.671 -2.052 1.00 0.00 N ATOM 529 CA SER A 38 75.079 8.042 -2.690 1.00 0.00 C ATOM 530 C SER A 38 75.069 6.529 -2.458 1.00 0.00 C ATOM 531 O SER A 38 74.932 6.063 -1.343 1.00 0.00 O ATOM 532 CB SER A 38 76.281 8.683 -1.996 1.00 0.00 C ATOM 533 OG SER A 38 76.078 10.086 -1.906 1.00 0.00 O ATOM 0 H SER A 38 74.093 9.421 -1.392 1.00 0.00 H new ATOM 0 HA SER A 38 75.100 8.196 -3.769 1.00 0.00 H new ATOM 0 HB2 SER A 38 76.410 8.258 -1.001 1.00 0.00 H new ATOM 0 HB3 SER A 38 77.193 8.471 -2.554 1.00 0.00 H new ATOM 0 HG SER A 38 76.846 10.500 -1.460 1.00 0.00 H new ATOM 539 N THR A 39 75.211 5.759 -3.501 1.00 0.00 N ATOM 540 CA THR A 39 75.209 4.277 -3.340 1.00 0.00 C ATOM 541 C THR A 39 76.102 3.871 -2.164 1.00 0.00 C ATOM 542 O THR A 39 75.885 2.859 -1.526 1.00 0.00 O ATOM 543 CB THR A 39 75.774 3.734 -4.653 1.00 0.00 C ATOM 544 OG1 THR A 39 76.821 4.583 -5.102 1.00 0.00 O ATOM 545 CG2 THR A 39 74.665 3.686 -5.706 1.00 0.00 C ATOM 0 H THR A 39 75.328 6.091 -4.458 1.00 0.00 H new ATOM 0 HA THR A 39 74.213 3.887 -3.132 1.00 0.00 H new ATOM 0 HB THR A 39 76.164 2.729 -4.494 1.00 0.00 H new ATOM 0 HG1 THR A 39 77.186 4.236 -5.943 1.00 0.00 H new ATOM 0 HG21 THR A 39 75.068 3.299 -6.642 1.00 0.00 H new ATOM 0 HG22 THR A 39 73.862 3.035 -5.360 1.00 0.00 H new ATOM 0 HG23 THR A 39 74.273 4.690 -5.868 1.00 0.00 H new ATOM 553 N LYS A 40 77.104 4.653 -1.871 1.00 0.00 N ATOM 554 CA LYS A 40 78.009 4.313 -0.735 1.00 0.00 C ATOM 555 C LYS A 40 77.292 4.544 0.598 1.00 0.00 C ATOM 556 O LYS A 40 77.761 4.141 1.644 1.00 0.00 O ATOM 557 CB LYS A 40 79.198 5.264 -0.879 1.00 0.00 C ATOM 558 CG LYS A 40 80.504 4.469 -0.798 1.00 0.00 C ATOM 559 CD LYS A 40 81.029 4.491 0.640 1.00 0.00 C ATOM 560 CE LYS A 40 82.384 5.198 0.678 1.00 0.00 C ATOM 561 NZ LYS A 40 83.069 4.654 1.884 1.00 0.00 N ATOM 0 H LYS A 40 77.336 5.513 -2.368 1.00 0.00 H new ATOM 0 HA LYS A 40 78.320 3.268 -0.751 1.00 0.00 H new ATOM 0 HB2 LYS A 40 79.141 5.793 -1.830 1.00 0.00 H new ATOM 0 HB3 LYS A 40 79.170 6.019 -0.093 1.00 0.00 H new ATOM 0 HG2 LYS A 40 80.336 3.441 -1.119 1.00 0.00 H new ATOM 0 HG3 LYS A 40 81.245 4.897 -1.473 1.00 0.00 H new ATOM 0 HD2 LYS A 40 80.320 5.005 1.289 1.00 0.00 H new ATOM 0 HD3 LYS A 40 81.127 3.473 1.018 1.00 0.00 H new ATOM 0 HE2 LYS A 40 82.959 4.998 -0.226 1.00 0.00 H new ATOM 0 HE3 LYS A 40 82.263 6.279 0.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 84.007 5.092 1.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 82.502 4.865 2.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 83.176 3.624 1.787 1.00 0.00 H new ATOM 575 N GLU A 41 76.159 5.191 0.567 1.00 0.00 N ATOM 576 CA GLU A 41 75.412 5.448 1.832 1.00 0.00 C ATOM 577 C GLU A 41 74.342 4.372 2.041 1.00 0.00 C ATOM 578 O GLU A 41 73.481 4.497 2.890 1.00 0.00 O ATOM 579 CB GLU A 41 74.762 6.817 1.636 1.00 0.00 C ATOM 580 CG GLU A 41 74.402 7.412 2.999 1.00 0.00 C ATOM 581 CD GLU A 41 75.638 8.070 3.613 1.00 0.00 C ATOM 582 OE1 GLU A 41 76.452 7.352 4.170 1.00 0.00 O ATOM 583 OE2 GLU A 41 75.750 9.282 3.515 1.00 0.00 O ATOM 0 H GLU A 41 75.718 5.553 -0.279 1.00 0.00 H new ATOM 0 HA GLU A 41 76.061 5.426 2.707 1.00 0.00 H new ATOM 0 HB2 GLU A 41 75.443 7.482 1.106 1.00 0.00 H new ATOM 0 HB3 GLU A 41 73.867 6.722 1.021 1.00 0.00 H new ATOM 0 HG2 GLU A 41 73.604 8.146 2.887 1.00 0.00 H new ATOM 0 HG3 GLU A 41 74.027 6.631 3.660 1.00 0.00 H new ATOM 590 N LEU A 42 74.388 3.318 1.273 1.00 0.00 N ATOM 591 CA LEU A 42 73.374 2.237 1.429 1.00 0.00 C ATOM 592 C LEU A 42 73.589 1.496 2.752 1.00 0.00 C ATOM 593 O LEU A 42 72.663 0.972 3.339 1.00 0.00 O ATOM 594 CB LEU A 42 73.611 1.299 0.245 1.00 0.00 C ATOM 595 CG LEU A 42 72.395 1.328 -0.683 1.00 0.00 C ATOM 596 CD1 LEU A 42 72.727 2.143 -1.934 1.00 0.00 C ATOM 597 CD2 LEU A 42 72.032 -0.102 -1.088 1.00 0.00 C ATOM 0 H LEU A 42 75.084 3.159 0.544 1.00 0.00 H new ATOM 0 HA LEU A 42 72.356 2.625 1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 42 74.505 1.603 -0.300 1.00 0.00 H new ATOM 0 HB3 LEU A 42 73.785 0.284 0.601 1.00 0.00 H new ATOM 0 HG LEU A 42 71.552 1.786 -0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 42 71.861 2.164 -2.595 1.00 0.00 H new ATOM 0 HD12 LEU A 42 72.988 3.161 -1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 42 73.569 1.686 -2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 42 71.166 -0.084 -1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 42 72.875 -0.558 -1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 42 71.796 -0.684 -0.197 1.00 0.00 H new ATOM 609 N GLY A 43 74.804 1.448 3.224 1.00 0.00 N ATOM 610 CA GLY A 43 75.077 0.742 4.507 1.00 0.00 C ATOM 611 C GLY A 43 74.542 1.577 5.673 1.00 0.00 C ATOM 612 O GLY A 43 74.041 1.050 6.647 1.00 0.00 O ATOM 0 H GLY A 43 75.619 1.867 2.777 1.00 0.00 H new ATOM 0 HA2 GLY A 43 74.604 -0.240 4.502 1.00 0.00 H new ATOM 0 HA3 GLY A 43 76.148 0.579 4.624 1.00 0.00 H new ATOM 616 N THR A 44 74.645 2.874 5.581 1.00 0.00 N ATOM 617 CA THR A 44 74.143 3.741 6.686 1.00 0.00 C ATOM 618 C THR A 44 72.614 3.796 6.665 1.00 0.00 C ATOM 619 O THR A 44 71.959 3.477 7.638 1.00 0.00 O ATOM 620 CB THR A 44 74.734 5.124 6.404 1.00 0.00 C ATOM 621 OG1 THR A 44 76.152 5.049 6.450 1.00 0.00 O ATOM 622 CG2 THR A 44 74.238 6.118 7.457 1.00 0.00 C ATOM 0 H THR A 44 75.054 3.371 4.790 1.00 0.00 H new ATOM 0 HA THR A 44 74.432 3.366 7.668 1.00 0.00 H new ATOM 0 HB THR A 44 74.420 5.460 5.416 1.00 0.00 H new ATOM 0 HG1 THR A 44 76.535 5.708 5.834 1.00 0.00 H new ATOM 0 HG21 THR A 44 74.660 7.103 7.255 1.00 0.00 H new ATOM 0 HG22 THR A 44 73.150 6.175 7.420 1.00 0.00 H new ATOM 0 HG23 THR A 44 74.551 5.786 8.447 1.00 0.00 H new ATOM 630 N VAL A 45 72.039 4.199 5.566 1.00 0.00 N ATOM 631 CA VAL A 45 70.551 4.273 5.488 1.00 0.00 C ATOM 632 C VAL A 45 69.930 3.002 6.075 1.00 0.00 C ATOM 633 O VAL A 45 68.839 3.023 6.608 1.00 0.00 O ATOM 634 CB VAL A 45 70.237 4.388 3.997 1.00 0.00 C ATOM 635 CG1 VAL A 45 70.571 3.068 3.300 1.00 0.00 C ATOM 636 CG2 VAL A 45 68.751 4.700 3.813 1.00 0.00 C ATOM 0 H VAL A 45 72.533 4.480 4.719 1.00 0.00 H new ATOM 0 HA VAL A 45 70.147 5.113 6.053 1.00 0.00 H new ATOM 0 HB VAL A 45 70.834 5.189 3.561 1.00 0.00 H new ATOM 0 HG11 VAL A 45 70.347 3.151 2.237 1.00 0.00 H new ATOM 0 HG12 VAL A 45 71.630 2.845 3.431 1.00 0.00 H new ATOM 0 HG13 VAL A 45 69.975 2.266 3.735 1.00 0.00 H new ATOM 0 HG21 VAL A 45 68.525 4.782 2.750 1.00 0.00 H new ATOM 0 HG22 VAL A 45 68.154 3.899 4.250 1.00 0.00 H new ATOM 0 HG23 VAL A 45 68.513 5.641 4.308 1.00 0.00 H new ATOM 646 N MET A 46 70.618 1.898 5.980 1.00 0.00 N ATOM 647 CA MET A 46 70.069 0.626 6.532 1.00 0.00 C ATOM 648 C MET A 46 70.253 0.581 8.052 1.00 0.00 C ATOM 649 O MET A 46 69.298 0.610 8.803 1.00 0.00 O ATOM 650 CB MET A 46 70.886 -0.479 5.861 1.00 0.00 C ATOM 651 CG MET A 46 70.510 -0.567 4.382 1.00 0.00 C ATOM 652 SD MET A 46 68.821 -1.201 4.227 1.00 0.00 S ATOM 653 CE MET A 46 69.206 -2.940 4.539 1.00 0.00 C ATOM 0 H MET A 46 71.537 1.821 5.544 1.00 0.00 H new ATOM 0 HA MET A 46 69.001 0.521 6.340 1.00 0.00 H new ATOM 0 HB2 MET A 46 71.951 -0.272 5.964 1.00 0.00 H new ATOM 0 HB3 MET A 46 70.698 -1.434 6.352 1.00 0.00 H new ATOM 0 HG2 MET A 46 70.585 0.416 3.917 1.00 0.00 H new ATOM 0 HG3 MET A 46 71.206 -1.222 3.857 1.00 0.00 H new ATOM 0 HE1 MET A 46 69.015 -3.522 3.638 1.00 0.00 H new ATOM 0 HE2 MET A 46 70.256 -3.036 4.817 1.00 0.00 H new ATOM 0 HE3 MET A 46 68.580 -3.311 5.351 1.00 0.00 H new ATOM 663 N ARG A 47 71.472 0.509 8.509 1.00 0.00 N ATOM 664 CA ARG A 47 71.716 0.461 9.980 1.00 0.00 C ATOM 665 C ARG A 47 71.054 1.657 10.669 1.00 0.00 C ATOM 666 O ARG A 47 70.775 1.628 11.852 1.00 0.00 O ATOM 667 CB ARG A 47 73.237 0.530 10.132 1.00 0.00 C ATOM 668 CG ARG A 47 73.842 -0.844 9.838 1.00 0.00 C ATOM 669 CD ARG A 47 75.210 -0.955 10.517 1.00 0.00 C ATOM 670 NE ARG A 47 76.114 -1.510 9.470 1.00 0.00 N ATOM 671 CZ ARG A 47 77.393 -1.621 9.703 1.00 0.00 C ATOM 672 NH1 ARG A 47 77.843 -2.624 10.407 1.00 0.00 N ATOM 673 NH2 ARG A 47 78.221 -0.730 9.233 1.00 0.00 N ATOM 0 H ARG A 47 72.310 0.481 7.929 1.00 0.00 H new ATOM 0 HA ARG A 47 71.300 -0.437 10.437 1.00 0.00 H new ATOM 0 HB2 ARG A 47 73.648 1.274 9.449 1.00 0.00 H new ATOM 0 HB3 ARG A 47 73.498 0.846 11.142 1.00 0.00 H new ATOM 0 HG2 ARG A 47 73.179 -1.630 10.200 1.00 0.00 H new ATOM 0 HG3 ARG A 47 73.946 -0.985 8.762 1.00 0.00 H new ATOM 0 HD2 ARG A 47 75.558 0.017 10.865 1.00 0.00 H new ATOM 0 HD3 ARG A 47 75.167 -1.608 11.388 1.00 0.00 H new ATOM 0 HE ARG A 47 75.733 -1.803 8.571 1.00 0.00 H new ATOM 0 HH11 ARG A 47 77.195 -3.321 10.775 1.00 0.00 H new ATOM 0 HH12 ARG A 47 78.843 -2.711 10.589 1.00 0.00 H new ATOM 0 HH21 ARG A 47 77.869 0.054 8.683 1.00 0.00 H new ATOM 0 HH22 ARG A 47 79.221 -0.817 9.415 1.00 0.00 H new ATOM 687 N MET A 48 70.801 2.709 9.941 1.00 0.00 N ATOM 688 CA MET A 48 70.159 3.905 10.558 1.00 0.00 C ATOM 689 C MET A 48 68.672 3.640 10.806 1.00 0.00 C ATOM 690 O MET A 48 67.961 4.477 11.327 1.00 0.00 O ATOM 691 CB MET A 48 70.339 5.025 9.532 1.00 0.00 C ATOM 692 CG MET A 48 69.833 6.344 10.119 1.00 0.00 C ATOM 693 SD MET A 48 70.926 6.865 11.464 1.00 0.00 S ATOM 694 CE MET A 48 72.049 7.872 10.463 1.00 0.00 C ATOM 0 H MET A 48 71.011 2.793 8.946 1.00 0.00 H new ATOM 0 HA MET A 48 70.601 4.159 11.521 1.00 0.00 H new ATOM 0 HB2 MET A 48 71.390 5.116 9.259 1.00 0.00 H new ATOM 0 HB3 MET A 48 69.792 4.788 8.620 1.00 0.00 H new ATOM 0 HG2 MET A 48 69.801 7.110 9.345 1.00 0.00 H new ATOM 0 HG3 MET A 48 68.815 6.223 10.490 1.00 0.00 H new ATOM 0 HE1 MET A 48 72.778 8.358 11.112 1.00 0.00 H new ATOM 0 HE2 MET A 48 72.568 7.235 9.747 1.00 0.00 H new ATOM 0 HE3 MET A 48 71.478 8.630 9.927 1.00 0.00 H new ATOM 704 N LEU A 49 68.195 2.482 10.440 1.00 0.00 N ATOM 705 CA LEU A 49 66.754 2.166 10.657 1.00 0.00 C ATOM 706 C LEU A 49 66.609 0.974 11.608 1.00 0.00 C ATOM 707 O LEU A 49 65.828 1.002 12.537 1.00 0.00 O ATOM 708 CB LEU A 49 66.213 1.816 9.270 1.00 0.00 C ATOM 709 CG LEU A 49 66.625 2.902 8.274 1.00 0.00 C ATOM 710 CD1 LEU A 49 66.332 2.427 6.850 1.00 0.00 C ATOM 711 CD2 LEU A 49 65.832 4.181 8.556 1.00 0.00 C ATOM 0 H LEU A 49 68.740 1.741 10.000 1.00 0.00 H new ATOM 0 HA LEU A 49 66.212 2.997 11.108 1.00 0.00 H new ATOM 0 HB2 LEU A 49 66.600 0.848 8.950 1.00 0.00 H new ATOM 0 HB3 LEU A 49 65.127 1.730 9.302 1.00 0.00 H new ATOM 0 HG LEU A 49 67.691 3.103 8.378 1.00 0.00 H new ATOM 0 HD11 LEU A 49 66.626 3.201 6.141 1.00 0.00 H new ATOM 0 HD12 LEU A 49 66.895 1.516 6.647 1.00 0.00 H new ATOM 0 HD13 LEU A 49 65.266 2.225 6.746 1.00 0.00 H new ATOM 0 HD21 LEU A 49 66.125 4.955 7.847 1.00 0.00 H new ATOM 0 HD22 LEU A 49 64.766 3.979 8.452 1.00 0.00 H new ATOM 0 HD23 LEU A 49 66.039 4.521 9.571 1.00 0.00 H new ATOM 723 N GLY A 50 67.357 -0.072 11.384 1.00 0.00 N ATOM 724 CA GLY A 50 67.258 -1.259 12.278 1.00 0.00 C ATOM 725 C GLY A 50 67.948 -2.459 11.625 1.00 0.00 C ATOM 726 O GLY A 50 68.405 -3.364 12.294 1.00 0.00 O ATOM 0 H GLY A 50 68.030 -0.155 10.622 1.00 0.00 H new ATOM 0 HA2 GLY A 50 67.721 -1.041 13.240 1.00 0.00 H new ATOM 0 HA3 GLY A 50 66.211 -1.492 12.474 1.00 0.00 H new ATOM 730 N GLN A 51 68.026 -2.477 10.321 1.00 0.00 N ATOM 731 CA GLN A 51 68.686 -3.625 9.632 1.00 0.00 C ATOM 732 C GLN A 51 70.204 -3.433 9.617 1.00 0.00 C ATOM 733 O GLN A 51 70.722 -2.451 10.111 1.00 0.00 O ATOM 734 CB GLN A 51 68.133 -3.614 8.205 1.00 0.00 C ATOM 735 CG GLN A 51 66.629 -3.332 8.234 1.00 0.00 C ATOM 736 CD GLN A 51 66.375 -1.877 7.833 1.00 0.00 C ATOM 737 OE1 GLN A 51 67.254 -1.212 7.320 1.00 0.00 O ATOM 738 NE2 GLN A 51 65.200 -1.349 8.046 1.00 0.00 N ATOM 0 H GLN A 51 67.663 -1.750 9.705 1.00 0.00 H new ATOM 0 HA GLN A 51 68.488 -4.571 10.136 1.00 0.00 H new ATOM 0 HB2 GLN A 51 68.643 -2.854 7.613 1.00 0.00 H new ATOM 0 HB3 GLN A 51 68.323 -4.573 7.724 1.00 0.00 H new ATOM 0 HG2 GLN A 51 66.109 -4.005 7.552 1.00 0.00 H new ATOM 0 HG3 GLN A 51 66.232 -3.520 9.232 1.00 0.00 H new ATOM 0 HE21 GLN A 51 64.461 -1.905 8.476 1.00 0.00 H new ATOM 0 HE22 GLN A 51 65.021 -0.380 7.782 1.00 0.00 H new ATOM 747 N ASN A 52 70.921 -4.366 9.053 1.00 0.00 N ATOM 748 CA ASN A 52 72.406 -4.240 9.004 1.00 0.00 C ATOM 749 C ASN A 52 72.972 -5.143 7.904 1.00 0.00 C ATOM 750 O ASN A 52 73.235 -6.308 8.130 1.00 0.00 O ATOM 751 CB ASN A 52 72.888 -4.703 10.379 1.00 0.00 C ATOM 752 CG ASN A 52 74.417 -4.696 10.416 1.00 0.00 C ATOM 753 OD1 ASN A 52 75.029 -3.650 10.506 1.00 0.00 O ATOM 754 ND2 ASN A 52 75.065 -5.827 10.349 1.00 0.00 N ATOM 0 H ASN A 52 70.543 -5.211 8.624 1.00 0.00 H new ATOM 0 HA ASN A 52 72.730 -3.223 8.781 1.00 0.00 H new ATOM 0 HB2 ASN A 52 72.492 -4.047 11.154 1.00 0.00 H new ATOM 0 HB3 ASN A 52 72.514 -5.705 10.588 1.00 0.00 H new ATOM 0 HD21 ASN A 52 76.085 -5.833 10.372 1.00 0.00 H new ATOM 0 HD22 ASN A 52 74.552 -6.705 10.273 1.00 0.00 H new ATOM 761 N PRO A 53 73.137 -4.570 6.743 1.00 0.00 N ATOM 762 CA PRO A 53 73.673 -5.329 5.587 1.00 0.00 C ATOM 763 C PRO A 53 75.170 -5.598 5.771 1.00 0.00 C ATOM 764 O PRO A 53 75.941 -4.702 6.051 1.00 0.00 O ATOM 765 CB PRO A 53 73.431 -4.394 4.404 1.00 0.00 C ATOM 766 CG PRO A 53 73.375 -3.024 5.000 1.00 0.00 C ATOM 767 CD PRO A 53 72.844 -3.174 6.402 1.00 0.00 C ATOM 0 HA PRO A 53 73.203 -6.304 5.459 1.00 0.00 H new ATOM 0 HB2 PRO A 53 74.232 -4.472 3.669 1.00 0.00 H new ATOM 0 HB3 PRO A 53 72.501 -4.639 3.890 1.00 0.00 H new ATOM 0 HG2 PRO A 53 74.365 -2.567 5.009 1.00 0.00 H new ATOM 0 HG3 PRO A 53 72.729 -2.373 4.411 1.00 0.00 H new ATOM 0 HD2 PRO A 53 73.332 -2.484 7.090 1.00 0.00 H new ATOM 0 HD3 PRO A 53 71.775 -2.967 6.448 1.00 0.00 H new ATOM 775 N THR A 54 75.585 -6.825 5.613 1.00 0.00 N ATOM 776 CA THR A 54 77.033 -7.147 5.779 1.00 0.00 C ATOM 777 C THR A 54 77.866 -6.361 4.764 1.00 0.00 C ATOM 778 O THR A 54 77.486 -6.207 3.619 1.00 0.00 O ATOM 779 CB THR A 54 77.138 -8.650 5.511 1.00 0.00 C ATOM 780 OG1 THR A 54 76.410 -8.972 4.334 1.00 0.00 O ATOM 781 CG2 THR A 54 76.562 -9.423 6.698 1.00 0.00 C ATOM 0 H THR A 54 74.987 -7.617 5.377 1.00 0.00 H new ATOM 0 HA THR A 54 77.405 -6.883 6.769 1.00 0.00 H new ATOM 0 HB THR A 54 78.185 -8.923 5.377 1.00 0.00 H new ATOM 0 HG1 THR A 54 76.478 -9.934 4.160 1.00 0.00 H new ATOM 0 HG21 THR A 54 76.637 -10.493 6.506 1.00 0.00 H new ATOM 0 HG22 THR A 54 77.122 -9.176 7.600 1.00 0.00 H new ATOM 0 HG23 THR A 54 75.515 -9.152 6.835 1.00 0.00 H new ATOM 789 N LYS A 55 78.999 -5.859 5.172 1.00 0.00 N ATOM 790 CA LYS A 55 79.853 -5.081 4.228 1.00 0.00 C ATOM 791 C LYS A 55 79.915 -5.785 2.869 1.00 0.00 C ATOM 792 O LYS A 55 79.783 -5.166 1.832 1.00 0.00 O ATOM 793 CB LYS A 55 81.235 -5.048 4.878 1.00 0.00 C ATOM 794 CG LYS A 55 82.242 -4.434 3.903 1.00 0.00 C ATOM 795 CD LYS A 55 83.486 -3.982 4.669 1.00 0.00 C ATOM 796 CE LYS A 55 83.166 -2.713 5.463 1.00 0.00 C ATOM 797 NZ LYS A 55 84.452 -1.964 5.520 1.00 0.00 N ATOM 0 H LYS A 55 79.371 -5.953 6.117 1.00 0.00 H new ATOM 0 HA LYS A 55 79.464 -4.079 4.049 1.00 0.00 H new ATOM 0 HB2 LYS A 55 81.202 -4.465 5.799 1.00 0.00 H new ATOM 0 HB3 LYS A 55 81.545 -6.057 5.150 1.00 0.00 H new ATOM 0 HG2 LYS A 55 82.517 -5.163 3.141 1.00 0.00 H new ATOM 0 HG3 LYS A 55 81.793 -3.586 3.386 1.00 0.00 H new ATOM 0 HD2 LYS A 55 83.817 -4.772 5.344 1.00 0.00 H new ATOM 0 HD3 LYS A 55 84.304 -3.792 3.974 1.00 0.00 H new ATOM 0 HE2 LYS A 55 82.388 -2.126 4.974 1.00 0.00 H new ATOM 0 HE3 LYS A 55 82.804 -2.953 6.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 84.315 -1.079 6.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 85.171 -2.545 5.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 84.769 -1.744 4.554 1.00 0.00 H new ATOM 811 N GLU A 56 80.117 -7.075 2.867 1.00 0.00 N ATOM 812 CA GLU A 56 80.189 -7.816 1.576 1.00 0.00 C ATOM 813 C GLU A 56 78.888 -7.638 0.788 1.00 0.00 C ATOM 814 O GLU A 56 78.883 -7.624 -0.426 1.00 0.00 O ATOM 815 CB GLU A 56 80.381 -9.281 1.971 1.00 0.00 C ATOM 816 CG GLU A 56 81.283 -9.974 0.947 1.00 0.00 C ATOM 817 CD GLU A 56 82.736 -9.560 1.182 1.00 0.00 C ATOM 818 OE1 GLU A 56 83.303 -9.995 2.170 1.00 0.00 O ATOM 819 OE2 GLU A 56 83.257 -8.814 0.369 1.00 0.00 O ATOM 0 H GLU A 56 80.235 -7.647 3.703 1.00 0.00 H new ATOM 0 HA GLU A 56 80.996 -7.456 0.938 1.00 0.00 H new ATOM 0 HB2 GLU A 56 80.825 -9.345 2.964 1.00 0.00 H new ATOM 0 HB3 GLU A 56 79.416 -9.785 2.020 1.00 0.00 H new ATOM 0 HG2 GLU A 56 81.184 -11.056 1.033 1.00 0.00 H new ATOM 0 HG3 GLU A 56 80.976 -9.705 -0.064 1.00 0.00 H new ATOM 826 N GLU A 57 77.784 -7.502 1.472 1.00 0.00 N ATOM 827 CA GLU A 57 76.484 -7.326 0.761 1.00 0.00 C ATOM 828 C GLU A 57 76.407 -5.927 0.139 1.00 0.00 C ATOM 829 O GLU A 57 76.002 -5.764 -0.993 1.00 0.00 O ATOM 830 CB GLU A 57 75.414 -7.493 1.840 1.00 0.00 C ATOM 831 CG GLU A 57 75.097 -8.979 2.018 1.00 0.00 C ATOM 832 CD GLU A 57 74.010 -9.391 1.024 1.00 0.00 C ATOM 833 OE1 GLU A 57 72.857 -9.076 1.272 1.00 0.00 O ATOM 834 OE2 GLU A 57 74.347 -10.016 0.032 1.00 0.00 O ATOM 0 H GLU A 57 77.726 -7.505 2.490 1.00 0.00 H new ATOM 0 HA GLU A 57 76.357 -8.042 -0.051 1.00 0.00 H new ATOM 0 HB2 GLU A 57 75.763 -7.069 2.782 1.00 0.00 H new ATOM 0 HB3 GLU A 57 74.512 -6.949 1.560 1.00 0.00 H new ATOM 0 HG2 GLU A 57 75.995 -9.575 1.858 1.00 0.00 H new ATOM 0 HG3 GLU A 57 74.764 -9.171 3.038 1.00 0.00 H new ATOM 841 N LEU A 58 76.793 -4.919 0.873 1.00 0.00 N ATOM 842 CA LEU A 58 76.741 -3.534 0.322 1.00 0.00 C ATOM 843 C LEU A 58 77.397 -3.491 -1.061 1.00 0.00 C ATOM 844 O LEU A 58 76.834 -2.983 -2.010 1.00 0.00 O ATOM 845 CB LEU A 58 77.527 -2.681 1.318 1.00 0.00 C ATOM 846 CG LEU A 58 76.828 -2.708 2.678 1.00 0.00 C ATOM 847 CD1 LEU A 58 77.469 -1.670 3.602 1.00 0.00 C ATOM 848 CD2 LEU A 58 75.345 -2.377 2.494 1.00 0.00 C ATOM 0 H LEU A 58 77.142 -4.994 1.829 1.00 0.00 H new ATOM 0 HA LEU A 58 75.719 -3.176 0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 58 78.545 -3.059 1.413 1.00 0.00 H new ATOM 0 HB3 LEU A 58 77.601 -1.656 0.956 1.00 0.00 H new ATOM 0 HG LEU A 58 76.929 -3.700 3.119 1.00 0.00 H new ATOM 0 HD11 LEU A 58 76.971 -1.689 4.571 1.00 0.00 H new ATOM 0 HD12 LEU A 58 78.526 -1.902 3.732 1.00 0.00 H new ATOM 0 HD13 LEU A 58 77.367 -0.678 3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 58 74.845 -2.396 3.462 1.00 0.00 H new ATOM 0 HD22 LEU A 58 75.246 -1.385 2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 58 74.887 -3.114 1.835 1.00 0.00 H new ATOM 860 N ASP A 59 78.583 -4.024 -1.183 1.00 0.00 N ATOM 861 CA ASP A 59 79.271 -4.014 -2.506 1.00 0.00 C ATOM 862 C ASP A 59 78.443 -4.788 -3.534 1.00 0.00 C ATOM 863 O ASP A 59 78.380 -4.430 -4.693 1.00 0.00 O ATOM 864 CB ASP A 59 80.611 -4.710 -2.262 1.00 0.00 C ATOM 865 CG ASP A 59 81.476 -4.609 -3.520 1.00 0.00 C ATOM 866 OD1 ASP A 59 81.228 -3.719 -4.315 1.00 0.00 O ATOM 867 OD2 ASP A 59 82.372 -5.424 -3.665 1.00 0.00 O ATOM 0 H ASP A 59 79.104 -4.465 -0.425 1.00 0.00 H new ATOM 0 HA ASP A 59 79.403 -3.005 -2.897 1.00 0.00 H new ATOM 0 HB2 ASP A 59 81.124 -4.249 -1.418 1.00 0.00 H new ATOM 0 HB3 ASP A 59 80.448 -5.756 -2.003 1.00 0.00 H new ATOM 872 N ALA A 60 77.804 -5.847 -3.117 1.00 0.00 N ATOM 873 CA ALA A 60 76.977 -6.642 -4.069 1.00 0.00 C ATOM 874 C ALA A 60 75.717 -5.861 -4.450 1.00 0.00 C ATOM 875 O ALA A 60 75.291 -5.869 -5.587 1.00 0.00 O ATOM 876 CB ALA A 60 76.610 -7.916 -3.307 1.00 0.00 C ATOM 0 H ALA A 60 77.819 -6.196 -2.159 1.00 0.00 H new ATOM 0 HA ALA A 60 77.508 -6.862 -4.996 1.00 0.00 H new ATOM 0 HB1 ALA A 60 75.999 -8.557 -3.942 1.00 0.00 H new ATOM 0 HB2 ALA A 60 77.520 -8.446 -3.025 1.00 0.00 H new ATOM 0 HB3 ALA A 60 76.050 -7.654 -2.409 1.00 0.00 H new ATOM 882 N ILE A 61 75.121 -5.184 -3.507 1.00 0.00 N ATOM 883 CA ILE A 61 73.890 -4.401 -3.816 1.00 0.00 C ATOM 884 C ILE A 61 74.247 -3.157 -4.634 1.00 0.00 C ATOM 885 O ILE A 61 73.717 -2.931 -5.703 1.00 0.00 O ATOM 886 CB ILE A 61 73.324 -3.999 -2.454 1.00 0.00 C ATOM 887 CG1 ILE A 61 72.846 -5.250 -1.712 1.00 0.00 C ATOM 888 CG2 ILE A 61 72.146 -3.044 -2.654 1.00 0.00 C ATOM 889 CD1 ILE A 61 73.522 -5.319 -0.341 1.00 0.00 C ATOM 0 H ILE A 61 75.432 -5.139 -2.537 1.00 0.00 H new ATOM 0 HA ILE A 61 73.173 -4.974 -4.403 1.00 0.00 H new ATOM 0 HB ILE A 61 74.099 -3.503 -1.870 1.00 0.00 H new ATOM 0 HG12 ILE A 61 71.763 -5.224 -1.594 1.00 0.00 H new ATOM 0 HG13 ILE A 61 73.083 -6.142 -2.291 1.00 0.00 H new ATOM 0 HG21 ILE A 61 71.742 -2.757 -1.683 1.00 0.00 H new ATOM 0 HG22 ILE A 61 72.485 -2.154 -3.184 1.00 0.00 H new ATOM 0 HG23 ILE A 61 71.371 -3.540 -3.238 1.00 0.00 H new ATOM 0 HD11 ILE A 61 73.182 -6.209 0.188 1.00 0.00 H new ATOM 0 HD12 ILE A 61 74.603 -5.364 -0.470 1.00 0.00 H new ATOM 0 HD13 ILE A 61 73.263 -4.432 0.238 1.00 0.00 H new ATOM 901 N ILE A 62 75.144 -2.348 -4.137 1.00 0.00 N ATOM 902 CA ILE A 62 75.535 -1.118 -4.884 1.00 0.00 C ATOM 903 C ILE A 62 75.709 -1.435 -6.371 1.00 0.00 C ATOM 904 O ILE A 62 74.980 -0.942 -7.209 1.00 0.00 O ATOM 905 CB ILE A 62 76.864 -0.689 -4.266 1.00 0.00 C ATOM 906 CG1 ILE A 62 76.622 -0.186 -2.840 1.00 0.00 C ATOM 907 CG2 ILE A 62 77.480 0.432 -5.104 1.00 0.00 C ATOM 908 CD1 ILE A 62 77.955 0.218 -2.207 1.00 0.00 C ATOM 0 H ILE A 62 75.622 -2.486 -3.247 1.00 0.00 H new ATOM 0 HA ILE A 62 74.781 -0.334 -4.815 1.00 0.00 H new ATOM 0 HB ILE A 62 77.545 -1.539 -4.243 1.00 0.00 H new ATOM 0 HG12 ILE A 62 75.941 0.665 -2.854 1.00 0.00 H new ATOM 0 HG13 ILE A 62 76.146 -0.965 -2.244 1.00 0.00 H new ATOM 0 HG21 ILE A 62 78.428 0.737 -4.662 1.00 0.00 H new ATOM 0 HG22 ILE A 62 77.651 0.075 -6.120 1.00 0.00 H new ATOM 0 HG23 ILE A 62 76.800 1.284 -5.128 1.00 0.00 H new ATOM 0 HD11 ILE A 62 77.782 0.576 -1.192 1.00 0.00 H new ATOM 0 HD12 ILE A 62 78.621 -0.645 -2.179 1.00 0.00 H new ATOM 0 HD13 ILE A 62 78.413 1.011 -2.798 1.00 0.00 H new ATOM 920 N GLU A 63 76.668 -2.254 -6.707 1.00 0.00 N ATOM 921 CA GLU A 63 76.883 -2.599 -8.142 1.00 0.00 C ATOM 922 C GLU A 63 75.546 -2.941 -8.804 1.00 0.00 C ATOM 923 O GLU A 63 75.279 -2.552 -9.923 1.00 0.00 O ATOM 924 CB GLU A 63 77.802 -3.821 -8.122 1.00 0.00 C ATOM 925 CG GLU A 63 78.550 -3.918 -9.454 1.00 0.00 C ATOM 926 CD GLU A 63 77.712 -4.718 -10.454 1.00 0.00 C ATOM 927 OE1 GLU A 63 76.833 -4.131 -11.063 1.00 0.00 O ATOM 928 OE2 GLU A 63 77.965 -5.903 -10.594 1.00 0.00 O ATOM 0 H GLU A 63 77.311 -2.699 -6.052 1.00 0.00 H new ATOM 0 HA GLU A 63 77.317 -1.774 -8.708 1.00 0.00 H new ATOM 0 HB2 GLU A 63 78.512 -3.742 -7.299 1.00 0.00 H new ATOM 0 HB3 GLU A 63 77.218 -4.726 -7.954 1.00 0.00 H new ATOM 0 HG2 GLU A 63 78.748 -2.920 -9.846 1.00 0.00 H new ATOM 0 HG3 GLU A 63 79.517 -4.400 -9.306 1.00 0.00 H new ATOM 935 N GLU A 64 74.704 -3.662 -8.117 1.00 0.00 N ATOM 936 CA GLU A 64 73.382 -4.025 -8.703 1.00 0.00 C ATOM 937 C GLU A 64 72.516 -2.770 -8.845 1.00 0.00 C ATOM 938 O GLU A 64 72.047 -2.442 -9.918 1.00 0.00 O ATOM 939 CB GLU A 64 72.764 -5.004 -7.700 1.00 0.00 C ATOM 940 CG GLU A 64 71.241 -5.034 -7.868 1.00 0.00 C ATOM 941 CD GLU A 64 70.686 -6.330 -7.274 1.00 0.00 C ATOM 942 OE1 GLU A 64 70.928 -7.376 -7.855 1.00 0.00 O ATOM 943 OE2 GLU A 64 70.028 -6.254 -6.249 1.00 0.00 O ATOM 0 H GLU A 64 74.873 -4.016 -7.175 1.00 0.00 H new ATOM 0 HA GLU A 64 73.468 -4.466 -9.696 1.00 0.00 H new ATOM 0 HB2 GLU A 64 73.175 -6.002 -7.853 1.00 0.00 H new ATOM 0 HB3 GLU A 64 73.020 -4.706 -6.683 1.00 0.00 H new ATOM 0 HG2 GLU A 64 70.793 -4.173 -7.372 1.00 0.00 H new ATOM 0 HG3 GLU A 64 70.980 -4.965 -8.924 1.00 0.00 H new ATOM 950 N VAL A 65 72.301 -2.065 -7.769 1.00 0.00 N ATOM 951 CA VAL A 65 71.466 -0.833 -7.838 1.00 0.00 C ATOM 952 C VAL A 65 72.255 0.310 -8.484 1.00 0.00 C ATOM 953 O VAL A 65 71.753 1.402 -8.659 1.00 0.00 O ATOM 954 CB VAL A 65 71.132 -0.503 -6.383 1.00 0.00 C ATOM 955 CG1 VAL A 65 70.508 -1.728 -5.712 1.00 0.00 C ATOM 956 CG2 VAL A 65 72.413 -0.114 -5.642 1.00 0.00 C ATOM 0 H VAL A 65 72.668 -2.289 -6.844 1.00 0.00 H new ATOM 0 HA VAL A 65 70.569 -0.974 -8.441 1.00 0.00 H new ATOM 0 HB VAL A 65 70.427 0.327 -6.352 1.00 0.00 H new ATOM 0 HG11 VAL A 65 70.270 -1.493 -4.675 1.00 0.00 H new ATOM 0 HG12 VAL A 65 69.596 -2.007 -6.240 1.00 0.00 H new ATOM 0 HG13 VAL A 65 71.213 -2.559 -5.743 1.00 0.00 H new ATOM 0 HG21 VAL A 65 72.176 0.122 -4.604 1.00 0.00 H new ATOM 0 HG22 VAL A 65 73.118 -0.945 -5.674 1.00 0.00 H new ATOM 0 HG23 VAL A 65 72.859 0.759 -6.119 1.00 0.00 H new ATOM 966 N ASP A 66 73.488 0.066 -8.840 1.00 0.00 N ATOM 967 CA ASP A 66 74.307 1.139 -9.475 1.00 0.00 C ATOM 968 C ASP A 66 73.985 1.239 -10.967 1.00 0.00 C ATOM 969 O ASP A 66 74.620 1.969 -11.702 1.00 0.00 O ATOM 970 CB ASP A 66 75.757 0.702 -9.275 1.00 0.00 C ATOM 971 CG ASP A 66 76.691 1.712 -9.942 1.00 0.00 C ATOM 972 OD1 ASP A 66 76.677 2.862 -9.535 1.00 0.00 O ATOM 973 OD2 ASP A 66 77.406 1.319 -10.850 1.00 0.00 O ATOM 0 H ASP A 66 73.963 -0.829 -8.719 1.00 0.00 H new ATOM 0 HA ASP A 66 74.109 2.118 -9.039 1.00 0.00 H new ATOM 0 HB2 ASP A 66 75.983 0.630 -8.211 1.00 0.00 H new ATOM 0 HB3 ASP A 66 75.911 -0.289 -9.702 1.00 0.00 H new ATOM 1030 N THR A 72 73.632 6.875 -7.459 1.00 0.00 N ATOM 1031 CA THR A 72 72.783 6.858 -6.233 1.00 0.00 C ATOM 1032 C THR A 72 71.663 5.824 -6.376 1.00 0.00 C ATOM 1033 O THR A 72 71.322 5.411 -7.467 1.00 0.00 O ATOM 1034 CB THR A 72 72.201 8.269 -6.135 1.00 0.00 C ATOM 1035 OG1 THR A 72 71.547 8.596 -7.353 1.00 0.00 O ATOM 1036 CG2 THR A 72 73.327 9.271 -5.874 1.00 0.00 C ATOM 0 HA THR A 72 73.351 6.588 -5.343 1.00 0.00 H new ATOM 0 HB THR A 72 71.484 8.310 -5.315 1.00 0.00 H new ATOM 0 HG1 THR A 72 71.957 8.096 -8.089 1.00 0.00 H new ATOM 0 HG21 THR A 72 72.911 10.276 -5.804 1.00 0.00 H new ATOM 0 HG22 THR A 72 73.828 9.020 -4.939 1.00 0.00 H new ATOM 0 HG23 THR A 72 74.046 9.232 -6.692 1.00 0.00 H new ATOM 1044 N ILE A 73 71.090 5.403 -5.282 1.00 0.00 N ATOM 1045 CA ILE A 73 69.993 4.395 -5.354 1.00 0.00 C ATOM 1046 C ILE A 73 68.632 5.090 -5.247 1.00 0.00 C ATOM 1047 O ILE A 73 68.471 6.047 -4.517 1.00 0.00 O ATOM 1048 CB ILE A 73 70.222 3.475 -4.156 1.00 0.00 C ATOM 1049 CG1 ILE A 73 69.351 2.225 -4.300 1.00 0.00 C ATOM 1050 CG2 ILE A 73 69.849 4.209 -2.868 1.00 0.00 C ATOM 1051 CD1 ILE A 73 69.748 1.199 -3.237 1.00 0.00 C ATOM 0 H ILE A 73 71.333 5.713 -4.341 1.00 0.00 H new ATOM 0 HA ILE A 73 69.996 3.845 -6.295 1.00 0.00 H new ATOM 0 HB ILE A 73 71.272 3.185 -4.117 1.00 0.00 H new ATOM 0 HG12 ILE A 73 68.299 2.488 -4.191 1.00 0.00 H new ATOM 0 HG13 ILE A 73 69.472 1.798 -5.296 1.00 0.00 H new ATOM 0 HG21 ILE A 73 70.013 3.552 -2.014 1.00 0.00 H new ATOM 0 HG22 ILE A 73 70.469 5.100 -2.764 1.00 0.00 H new ATOM 0 HG23 ILE A 73 68.799 4.500 -2.906 1.00 0.00 H new ATOM 0 HD11 ILE A 73 69.127 0.309 -3.340 1.00 0.00 H new ATOM 0 HD12 ILE A 73 70.796 0.928 -3.367 1.00 0.00 H new ATOM 0 HD13 ILE A 73 69.605 1.628 -2.245 1.00 0.00 H new ATOM 1063 N ASP A 74 67.654 4.618 -5.969 1.00 0.00 N ATOM 1064 CA ASP A 74 66.307 5.256 -5.909 1.00 0.00 C ATOM 1065 C ASP A 74 65.509 4.704 -4.724 1.00 0.00 C ATOM 1066 O ASP A 74 65.419 3.509 -4.526 1.00 0.00 O ATOM 1067 CB ASP A 74 65.636 4.884 -7.231 1.00 0.00 C ATOM 1068 CG ASP A 74 65.887 5.988 -8.259 1.00 0.00 C ATOM 1069 OD1 ASP A 74 66.644 6.896 -7.953 1.00 0.00 O ATOM 1070 OD2 ASP A 74 65.317 5.910 -9.334 1.00 0.00 O ATOM 0 H ASP A 74 67.728 3.818 -6.598 1.00 0.00 H new ATOM 0 HA ASP A 74 66.367 6.336 -5.771 1.00 0.00 H new ATOM 0 HB2 ASP A 74 66.030 3.936 -7.597 1.00 0.00 H new ATOM 0 HB3 ASP A 74 64.565 4.748 -7.082 1.00 0.00 H new ATOM 1075 N PHE A 75 64.928 5.568 -3.934 1.00 0.00 N ATOM 1076 CA PHE A 75 64.137 5.094 -2.762 1.00 0.00 C ATOM 1077 C PHE A 75 63.216 3.942 -3.175 1.00 0.00 C ATOM 1078 O PHE A 75 63.190 2.903 -2.547 1.00 0.00 O ATOM 1079 CB PHE A 75 63.317 6.304 -2.317 1.00 0.00 C ATOM 1080 CG PHE A 75 62.799 6.074 -0.917 1.00 0.00 C ATOM 1081 CD1 PHE A 75 61.569 5.434 -0.723 1.00 0.00 C ATOM 1082 CD2 PHE A 75 63.550 6.497 0.186 1.00 0.00 C ATOM 1083 CE1 PHE A 75 61.089 5.218 0.575 1.00 0.00 C ATOM 1084 CE2 PHE A 75 63.070 6.280 1.484 1.00 0.00 C ATOM 1085 CZ PHE A 75 61.841 5.641 1.678 1.00 0.00 C ATOM 0 H PHE A 75 64.967 6.581 -4.050 1.00 0.00 H new ATOM 0 HA PHE A 75 64.774 4.719 -1.961 1.00 0.00 H new ATOM 0 HB2 PHE A 75 63.932 7.204 -2.346 1.00 0.00 H new ATOM 0 HB3 PHE A 75 62.485 6.465 -3.002 1.00 0.00 H new ATOM 0 HD1 PHE A 75 60.990 5.107 -1.574 1.00 0.00 H new ATOM 0 HD2 PHE A 75 64.499 6.990 0.036 1.00 0.00 H new ATOM 0 HE1 PHE A 75 60.140 4.726 0.725 1.00 0.00 H new ATOM 0 HE2 PHE A 75 63.649 6.606 2.335 1.00 0.00 H new ATOM 0 HZ PHE A 75 61.472 5.474 2.679 1.00 0.00 H new ATOM 1095 N GLU A 76 62.463 4.115 -4.229 1.00 0.00 N ATOM 1096 CA GLU A 76 61.550 3.023 -4.674 1.00 0.00 C ATOM 1097 C GLU A 76 62.341 1.724 -4.843 1.00 0.00 C ATOM 1098 O GLU A 76 61.908 0.663 -4.437 1.00 0.00 O ATOM 1099 CB GLU A 76 60.989 3.491 -6.018 1.00 0.00 C ATOM 1100 CG GLU A 76 62.141 3.800 -6.976 1.00 0.00 C ATOM 1101 CD GLU A 76 61.582 4.391 -8.272 1.00 0.00 C ATOM 1102 OE1 GLU A 76 60.390 4.257 -8.496 1.00 0.00 O ATOM 1103 OE2 GLU A 76 62.355 4.969 -9.018 1.00 0.00 O ATOM 0 H GLU A 76 62.441 4.961 -4.798 1.00 0.00 H new ATOM 0 HA GLU A 76 60.756 2.826 -3.954 1.00 0.00 H new ATOM 0 HB2 GLU A 76 60.346 2.720 -6.443 1.00 0.00 H new ATOM 0 HB3 GLU A 76 60.372 4.379 -5.877 1.00 0.00 H new ATOM 0 HG2 GLU A 76 62.835 4.502 -6.513 1.00 0.00 H new ATOM 0 HG3 GLU A 76 62.703 2.891 -7.191 1.00 0.00 H new ATOM 1110 N GLU A 77 63.504 1.801 -5.431 1.00 0.00 N ATOM 1111 CA GLU A 77 64.328 0.573 -5.614 1.00 0.00 C ATOM 1112 C GLU A 77 65.017 0.213 -4.297 1.00 0.00 C ATOM 1113 O GLU A 77 64.928 -0.900 -3.822 1.00 0.00 O ATOM 1114 CB GLU A 77 65.360 0.943 -6.680 1.00 0.00 C ATOM 1115 CG GLU A 77 66.332 -0.222 -6.878 1.00 0.00 C ATOM 1116 CD GLU A 77 67.163 0.015 -8.140 1.00 0.00 C ATOM 1117 OE1 GLU A 77 66.644 -0.216 -9.219 1.00 0.00 O ATOM 1118 OE2 GLU A 77 68.305 0.422 -8.006 1.00 0.00 O ATOM 0 H GLU A 77 63.918 2.660 -5.792 1.00 0.00 H new ATOM 0 HA GLU A 77 63.733 -0.290 -5.912 1.00 0.00 H new ATOM 0 HB2 GLU A 77 64.860 1.176 -7.620 1.00 0.00 H new ATOM 0 HB3 GLU A 77 65.905 1.838 -6.378 1.00 0.00 H new ATOM 0 HG2 GLU A 77 66.986 -0.315 -6.011 1.00 0.00 H new ATOM 0 HG3 GLU A 77 65.781 -1.159 -6.963 1.00 0.00 H new ATOM 1125 N PHE A 78 65.698 1.153 -3.698 1.00 0.00 N ATOM 1126 CA PHE A 78 66.386 0.869 -2.406 1.00 0.00 C ATOM 1127 C PHE A 78 65.413 0.199 -1.431 1.00 0.00 C ATOM 1128 O PHE A 78 65.789 -0.658 -0.655 1.00 0.00 O ATOM 1129 CB PHE A 78 66.826 2.242 -1.888 1.00 0.00 C ATOM 1130 CG PHE A 78 67.082 2.176 -0.399 1.00 0.00 C ATOM 1131 CD1 PHE A 78 68.178 1.460 0.095 1.00 0.00 C ATOM 1132 CD2 PHE A 78 66.221 2.837 0.487 1.00 0.00 C ATOM 1133 CE1 PHE A 78 68.415 1.404 1.474 1.00 0.00 C ATOM 1134 CE2 PHE A 78 66.458 2.780 1.866 1.00 0.00 C ATOM 1135 CZ PHE A 78 67.554 2.064 2.359 1.00 0.00 C ATOM 0 H PHE A 78 65.807 2.105 -4.048 1.00 0.00 H new ATOM 0 HA PHE A 78 67.232 0.191 -2.519 1.00 0.00 H new ATOM 0 HB2 PHE A 78 67.729 2.563 -2.407 1.00 0.00 H new ATOM 0 HB3 PHE A 78 66.056 2.984 -2.100 1.00 0.00 H new ATOM 0 HD1 PHE A 78 68.842 0.950 -0.588 1.00 0.00 H new ATOM 0 HD2 PHE A 78 65.375 3.390 0.107 1.00 0.00 H new ATOM 0 HE1 PHE A 78 69.262 0.852 1.855 1.00 0.00 H new ATOM 0 HE2 PHE A 78 65.794 3.289 2.549 1.00 0.00 H new ATOM 0 HZ PHE A 78 67.736 2.020 3.423 1.00 0.00 H new ATOM 1145 N LEU A 79 64.165 0.581 -1.465 1.00 0.00 N ATOM 1146 CA LEU A 79 63.174 -0.039 -0.540 1.00 0.00 C ATOM 1147 C LEU A 79 63.371 -1.556 -0.502 1.00 0.00 C ATOM 1148 O LEU A 79 63.143 -2.196 0.505 1.00 0.00 O ATOM 1149 CB LEU A 79 61.806 0.313 -1.126 1.00 0.00 C ATOM 1150 CG LEU A 79 61.118 1.341 -0.225 1.00 0.00 C ATOM 1151 CD1 LEU A 79 60.278 2.290 -1.081 1.00 0.00 C ATOM 1152 CD2 LEU A 79 60.212 0.618 0.774 1.00 0.00 C ATOM 0 H LEU A 79 63.790 1.293 -2.091 1.00 0.00 H new ATOM 0 HA LEU A 79 63.280 0.322 0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 79 61.921 0.715 -2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 79 61.192 -0.584 -1.209 1.00 0.00 H new ATOM 0 HG LEU A 79 61.873 1.912 0.316 1.00 0.00 H new ATOM 0 HD11 LEU A 79 59.788 3.022 -0.439 1.00 0.00 H new ATOM 0 HD12 LEU A 79 60.923 2.806 -1.793 1.00 0.00 H new ATOM 0 HD13 LEU A 79 59.523 1.720 -1.623 1.00 0.00 H new ATOM 0 HD21 LEU A 79 59.722 1.350 1.416 1.00 0.00 H new ATOM 0 HD22 LEU A 79 59.458 0.046 0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 79 60.810 -0.058 1.385 1.00 0.00 H new ATOM 1164 N VAL A 80 63.798 -2.136 -1.590 1.00 0.00 N ATOM 1165 CA VAL A 80 64.015 -3.610 -1.609 1.00 0.00 C ATOM 1166 C VAL A 80 65.120 -3.982 -0.617 1.00 0.00 C ATOM 1167 O VAL A 80 65.054 -4.992 0.055 1.00 0.00 O ATOM 1168 CB VAL A 80 64.440 -3.940 -3.042 1.00 0.00 C ATOM 1169 CG1 VAL A 80 63.516 -3.228 -4.032 1.00 0.00 C ATOM 1170 CG2 VAL A 80 65.883 -3.477 -3.267 1.00 0.00 C ATOM 0 H VAL A 80 64.006 -1.654 -2.465 1.00 0.00 H new ATOM 0 HA VAL A 80 63.122 -4.165 -1.321 1.00 0.00 H new ATOM 0 HB VAL A 80 64.374 -5.017 -3.198 1.00 0.00 H new ATOM 0 HG11 VAL A 80 63.822 -3.466 -5.051 1.00 0.00 H new ATOM 0 HG12 VAL A 80 62.490 -3.560 -3.875 1.00 0.00 H new ATOM 0 HG13 VAL A 80 63.577 -2.151 -3.877 1.00 0.00 H new ATOM 0 HG21 VAL A 80 66.186 -3.712 -4.287 1.00 0.00 H new ATOM 0 HG22 VAL A 80 65.949 -2.401 -3.108 1.00 0.00 H new ATOM 0 HG23 VAL A 80 66.543 -3.988 -2.566 1.00 0.00 H new ATOM 1180 N MET A 81 66.135 -3.167 -0.518 1.00 0.00 N ATOM 1181 CA MET A 81 67.244 -3.465 0.433 1.00 0.00 C ATOM 1182 C MET A 81 66.730 -3.388 1.872 1.00 0.00 C ATOM 1183 O MET A 81 67.092 -4.184 2.716 1.00 0.00 O ATOM 1184 CB MET A 81 68.290 -2.380 0.175 1.00 0.00 C ATOM 1185 CG MET A 81 69.425 -2.957 -0.670 1.00 0.00 C ATOM 1186 SD MET A 81 70.491 -3.983 0.373 1.00 0.00 S ATOM 1187 CE MET A 81 71.667 -2.689 0.839 1.00 0.00 C ATOM 0 H MET A 81 66.244 -2.307 -1.055 1.00 0.00 H new ATOM 0 HA MET A 81 67.656 -4.464 0.293 1.00 0.00 H new ATOM 0 HB2 MET A 81 67.833 -1.534 -0.339 1.00 0.00 H new ATOM 0 HB3 MET A 81 68.681 -2.005 1.121 1.00 0.00 H new ATOM 0 HG2 MET A 81 69.018 -3.551 -1.488 1.00 0.00 H new ATOM 0 HG3 MET A 81 70.005 -2.151 -1.119 1.00 0.00 H new ATOM 0 HE1 MET A 81 72.109 -2.930 1.806 1.00 0.00 H new ATOM 0 HE2 MET A 81 72.453 -2.624 0.087 1.00 0.00 H new ATOM 0 HE3 MET A 81 71.148 -1.733 0.906 1.00 0.00 H new ATOM 1197 N MET A 82 65.885 -2.435 2.158 1.00 0.00 N ATOM 1198 CA MET A 82 65.345 -2.308 3.541 1.00 0.00 C ATOM 1199 C MET A 82 64.598 -3.585 3.929 1.00 0.00 C ATOM 1200 O MET A 82 64.746 -4.097 5.020 1.00 0.00 O ATOM 1201 CB MET A 82 64.382 -1.121 3.485 1.00 0.00 C ATOM 1202 CG MET A 82 65.133 0.126 3.018 1.00 0.00 C ATOM 1203 SD MET A 82 64.023 1.554 3.076 1.00 0.00 S ATOM 1204 CE MET A 82 64.807 2.394 4.474 1.00 0.00 C ATOM 0 H MET A 82 65.546 -1.739 1.494 1.00 0.00 H new ATOM 0 HA MET A 82 66.131 -2.158 4.281 1.00 0.00 H new ATOM 0 HB2 MET A 82 63.559 -1.339 2.804 1.00 0.00 H new ATOM 0 HB3 MET A 82 63.945 -0.948 4.468 1.00 0.00 H new ATOM 0 HG2 MET A 82 66.001 0.300 3.654 1.00 0.00 H new ATOM 0 HG3 MET A 82 65.505 -0.019 2.004 1.00 0.00 H new ATOM 0 HE1 MET A 82 64.628 3.467 4.401 1.00 0.00 H new ATOM 0 HE2 MET A 82 64.386 2.019 5.407 1.00 0.00 H new ATOM 0 HE3 MET A 82 65.880 2.203 4.458 1.00 0.00 H new ATOM 1214 N VAL A 83 63.797 -4.104 3.039 1.00 0.00 N ATOM 1215 CA VAL A 83 63.041 -5.350 3.352 1.00 0.00 C ATOM 1216 C VAL A 83 63.926 -6.575 3.112 1.00 0.00 C ATOM 1217 O VAL A 83 64.166 -7.363 4.006 1.00 0.00 O ATOM 1218 CB VAL A 83 61.856 -5.349 2.386 1.00 0.00 C ATOM 1219 CG1 VAL A 83 61.005 -6.599 2.621 1.00 0.00 C ATOM 1220 CG2 VAL A 83 61.006 -4.100 2.624 1.00 0.00 C ATOM 0 H VAL A 83 63.633 -3.719 2.109 1.00 0.00 H new ATOM 0 HA VAL A 83 62.718 -5.387 4.392 1.00 0.00 H new ATOM 0 HB VAL A 83 62.223 -5.348 1.360 1.00 0.00 H new ATOM 0 HG11 VAL A 83 60.160 -6.599 1.932 1.00 0.00 H new ATOM 0 HG12 VAL A 83 61.611 -7.489 2.451 1.00 0.00 H new ATOM 0 HG13 VAL A 83 60.637 -6.601 3.647 1.00 0.00 H new ATOM 0 HG21 VAL A 83 60.161 -4.098 1.936 1.00 0.00 H new ATOM 0 HG22 VAL A 83 60.638 -4.100 3.650 1.00 0.00 H new ATOM 0 HG23 VAL A 83 61.612 -3.210 2.456 1.00 0.00 H new ATOM 1230 N ARG A 84 64.414 -6.739 1.913 1.00 0.00 N ATOM 1231 CA ARG A 84 65.285 -7.911 1.615 1.00 0.00 C ATOM 1232 C ARG A 84 66.274 -8.136 2.762 1.00 0.00 C ATOM 1233 O ARG A 84 66.717 -9.242 3.004 1.00 0.00 O ATOM 1234 CB ARG A 84 66.026 -7.538 0.331 1.00 0.00 C ATOM 1235 CG ARG A 84 65.023 -7.412 -0.818 1.00 0.00 C ATOM 1236 CD ARG A 84 65.147 -8.628 -1.739 1.00 0.00 C ATOM 1237 NE ARG A 84 63.926 -9.438 -1.472 1.00 0.00 N ATOM 1238 CZ ARG A 84 63.990 -10.740 -1.489 1.00 0.00 C ATOM 1239 NH1 ARG A 84 64.996 -11.337 -2.070 1.00 0.00 N ATOM 1240 NH2 ARG A 84 63.050 -11.448 -0.926 1.00 0.00 N ATOM 0 H ARG A 84 64.247 -6.112 1.126 1.00 0.00 H new ATOM 0 HA ARG A 84 64.715 -8.833 1.501 1.00 0.00 H new ATOM 0 HB2 ARG A 84 66.560 -6.597 0.467 1.00 0.00 H new ATOM 0 HB3 ARG A 84 66.772 -8.297 0.095 1.00 0.00 H new ATOM 0 HG2 ARG A 84 64.009 -7.343 -0.424 1.00 0.00 H new ATOM 0 HG3 ARG A 84 65.210 -6.497 -1.379 1.00 0.00 H new ATOM 0 HD2 ARG A 84 65.200 -8.327 -2.785 1.00 0.00 H new ATOM 0 HD3 ARG A 84 66.052 -9.196 -1.524 1.00 0.00 H new ATOM 0 HE ARG A 84 63.039 -8.974 -1.276 1.00 0.00 H new ATOM 0 HH11 ARG A 84 65.732 -10.785 -2.510 1.00 0.00 H new ATOM 0 HH12 ARG A 84 65.046 -12.356 -2.083 1.00 0.00 H new ATOM 0 HH21 ARG A 84 62.264 -10.983 -0.472 1.00 0.00 H new ATOM 0 HH22 ARG A 84 63.101 -12.467 -0.940 1.00 0.00 H new ATOM 1254 N GLN A 85 66.616 -7.098 3.474 1.00 0.00 N ATOM 1255 CA GLN A 85 67.568 -7.258 4.611 1.00 0.00 C ATOM 1256 C GLN A 85 66.792 -7.534 5.900 1.00 0.00 C ATOM 1257 O GLN A 85 67.154 -8.391 6.682 1.00 0.00 O ATOM 1258 CB GLN A 85 68.308 -5.924 4.706 1.00 0.00 C ATOM 1259 CG GLN A 85 69.351 -6.000 5.823 1.00 0.00 C ATOM 1260 CD GLN A 85 70.238 -7.229 5.611 1.00 0.00 C ATOM 1261 OE1 GLN A 85 70.514 -7.961 6.540 1.00 0.00 O ATOM 1262 NE2 GLN A 85 70.700 -7.487 4.418 1.00 0.00 N ATOM 0 H GLN A 85 66.279 -6.148 3.319 1.00 0.00 H new ATOM 0 HA GLN A 85 68.256 -8.090 4.463 1.00 0.00 H new ATOM 0 HB2 GLN A 85 68.792 -5.696 3.756 1.00 0.00 H new ATOM 0 HB3 GLN A 85 67.603 -5.118 4.906 1.00 0.00 H new ATOM 0 HG2 GLN A 85 69.960 -5.096 5.829 1.00 0.00 H new ATOM 0 HG3 GLN A 85 68.857 -6.058 6.793 1.00 0.00 H new ATOM 0 HE21 GLN A 85 70.468 -6.872 3.638 1.00 0.00 H new ATOM 0 HE22 GLN A 85 71.293 -8.303 4.266 1.00 0.00 H new ATOM 1271 N MET A 86 65.725 -6.816 6.128 1.00 0.00 N ATOM 1272 CA MET A 86 64.928 -7.044 7.366 1.00 0.00 C ATOM 1273 C MET A 86 64.241 -8.407 7.301 1.00 0.00 C ATOM 1274 O MET A 86 63.953 -9.017 8.311 1.00 0.00 O ATOM 1275 CB MET A 86 63.892 -5.920 7.392 1.00 0.00 C ATOM 1276 CG MET A 86 64.214 -4.963 8.540 1.00 0.00 C ATOM 1277 SD MET A 86 62.840 -4.947 9.718 1.00 0.00 S ATOM 1278 CE MET A 86 63.647 -3.949 10.993 1.00 0.00 C ATOM 0 H MET A 86 65.372 -6.084 5.512 1.00 0.00 H new ATOM 0 HA MET A 86 65.548 -7.040 8.262 1.00 0.00 H new ATOM 0 HB2 MET A 86 63.897 -5.383 6.443 1.00 0.00 H new ATOM 0 HB3 MET A 86 62.892 -6.334 7.518 1.00 0.00 H new ATOM 0 HG2 MET A 86 65.132 -5.274 9.040 1.00 0.00 H new ATOM 0 HG3 MET A 86 64.386 -3.959 8.153 1.00 0.00 H new ATOM 0 HE1 MET A 86 62.965 -3.811 11.832 1.00 0.00 H new ATOM 0 HE2 MET A 86 64.548 -4.457 11.337 1.00 0.00 H new ATOM 0 HE3 MET A 86 63.915 -2.977 10.579 1.00 0.00 H new ATOM 1288 N LYS A 87 63.982 -8.899 6.119 1.00 0.00 N ATOM 1289 CA LYS A 87 63.325 -10.231 6.007 1.00 0.00 C ATOM 1290 C LYS A 87 64.059 -11.225 6.905 1.00 0.00 C ATOM 1291 O LYS A 87 63.493 -12.184 7.391 1.00 0.00 O ATOM 1292 CB LYS A 87 63.461 -10.622 4.535 1.00 0.00 C ATOM 1293 CG LYS A 87 62.712 -9.610 3.667 1.00 0.00 C ATOM 1294 CD LYS A 87 61.547 -10.305 2.959 1.00 0.00 C ATOM 1295 CE LYS A 87 60.404 -10.526 3.952 1.00 0.00 C ATOM 1296 NZ LYS A 87 59.614 -11.653 3.383 1.00 0.00 N ATOM 0 H LYS A 87 64.195 -8.440 5.234 1.00 0.00 H new ATOM 0 HA LYS A 87 62.280 -10.218 6.317 1.00 0.00 H new ATOM 0 HB2 LYS A 87 64.513 -10.652 4.251 1.00 0.00 H new ATOM 0 HB3 LYS A 87 63.059 -11.622 4.375 1.00 0.00 H new ATOM 0 HG2 LYS A 87 62.340 -8.792 4.283 1.00 0.00 H new ATOM 0 HG3 LYS A 87 63.389 -9.174 2.933 1.00 0.00 H new ATOM 0 HD2 LYS A 87 61.203 -9.698 2.121 1.00 0.00 H new ATOM 0 HD3 LYS A 87 61.875 -11.260 2.548 1.00 0.00 H new ATOM 0 HE2 LYS A 87 60.784 -10.771 4.944 1.00 0.00 H new ATOM 0 HE3 LYS A 87 59.793 -9.629 4.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 58.811 -11.864 4.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 59.260 -11.388 2.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 60.219 -12.495 3.301 1.00 0.00 H new ATOM 1310 N GLU A 88 65.320 -10.986 7.140 1.00 0.00 N ATOM 1311 CA GLU A 88 66.107 -11.890 8.020 1.00 0.00 C ATOM 1312 C GLU A 88 66.192 -11.288 9.423 1.00 0.00 C ATOM 1313 O GLU A 88 66.136 -11.985 10.417 1.00 0.00 O ATOM 1314 CB GLU A 88 67.492 -11.954 7.380 1.00 0.00 C ATOM 1315 CG GLU A 88 68.412 -12.818 8.240 1.00 0.00 C ATOM 1316 CD GLU A 88 69.352 -11.921 9.046 1.00 0.00 C ATOM 1317 OE1 GLU A 88 69.025 -10.757 9.219 1.00 0.00 O ATOM 1318 OE2 GLU A 88 70.383 -12.410 9.476 1.00 0.00 O ATOM 0 H GLU A 88 65.841 -10.197 6.757 1.00 0.00 H new ATOM 0 HA GLU A 88 65.660 -12.880 8.116 1.00 0.00 H new ATOM 0 HB2 GLU A 88 67.421 -12.369 6.375 1.00 0.00 H new ATOM 0 HB3 GLU A 88 67.905 -10.950 7.282 1.00 0.00 H new ATOM 0 HG2 GLU A 88 67.820 -13.439 8.912 1.00 0.00 H new ATOM 0 HG3 GLU A 88 68.990 -13.493 7.608 1.00 0.00 H new ATOM 1325 N ASP A 89 66.320 -9.990 9.508 1.00 0.00 N ATOM 1326 CA ASP A 89 66.402 -9.331 10.842 1.00 0.00 C ATOM 1327 C ASP A 89 65.025 -9.330 11.508 1.00 0.00 C ATOM 1328 O ASP A 89 64.909 -9.360 12.718 1.00 0.00 O ATOM 1329 CB ASP A 89 66.857 -7.901 10.548 1.00 0.00 C ATOM 1330 CG ASP A 89 67.267 -7.218 11.853 1.00 0.00 C ATOM 1331 OD1 ASP A 89 68.367 -7.475 12.313 1.00 0.00 O ATOM 1332 OD2 ASP A 89 66.474 -6.449 12.370 1.00 0.00 O ATOM 0 H ASP A 89 66.371 -9.358 8.709 1.00 0.00 H new ATOM 0 HA ASP A 89 67.085 -9.844 11.519 1.00 0.00 H new ATOM 0 HB2 ASP A 89 67.695 -7.911 9.851 1.00 0.00 H new ATOM 0 HB3 ASP A 89 66.052 -7.343 10.070 1.00 0.00 H new ATOM 1337 N ALA A 90 63.981 -9.298 10.726 1.00 0.00 N ATOM 1338 CA ALA A 90 62.610 -9.297 11.313 1.00 0.00 C ATOM 1339 C ALA A 90 62.205 -10.720 11.708 1.00 0.00 C ATOM 1340 O ALA A 90 61.387 -10.855 12.603 1.00 0.00 O ATOM 1341 CB ALA A 90 61.704 -8.770 10.201 1.00 0.00 C ATOM 1342 OXT ALA A 90 62.720 -11.649 11.108 1.00 0.00 O ATOM 0 H ALA A 90 64.017 -9.273 9.707 1.00 0.00 H new ATOM 0 HA ALA A 90 62.545 -8.687 12.214 1.00 0.00 H new ATOM 0 HB1 ALA A 90 60.674 -8.739 10.555 1.00 0.00 H new ATOM 0 HB2 ALA A 90 62.021 -7.766 9.918 1.00 0.00 H new ATOM 0 HB3 ALA A 90 61.770 -9.429 9.335 1.00 0.00 H new