USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 559 hydrogens (23 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 92 LYS NZ :NH3+ 161:sc= 0.17 (180deg=-0.309) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0.0437 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -3.17! C(o=-3.2!,f=-3.3!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 THR OG1 : rot -123:sc= -1.67! USER MOD Single : A 127 THR OG1 : rot -50:sc= 0.603 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 MET CE :methyl 158:sc= -0.322 (180deg=-1.01) USER MOD Single : A 138 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.0385) USER MOD Single : A 142 LYS NZ :NH3+ 159:sc= 0.38 (180deg=0.187) USER MOD Single : A 143 ASN : amide:sc= -9.34! C(o=-9.3!,f=-19!) USER MOD Single : A 144 ASN : amide:sc= -0.837 K(o=-0.84,f=-3.8!) USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 MET CE :methyl 154:sc= -3.35! (180deg=-5.12!) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 91 55.742 11.898 15.251 1.00 0.00 N ATOM 2 CA GLY A 91 56.046 10.721 14.442 1.00 0.00 C ATOM 3 C GLY A 91 55.371 9.481 15.018 1.00 0.00 C ATOM 4 O GLY A 91 55.320 9.293 16.234 1.00 0.00 O ATOM 0 HA2 GLY A 91 55.710 10.881 13.418 1.00 0.00 H new ATOM 0 HA3 GLY A 91 57.125 10.569 14.403 1.00 0.00 H new ATOM 8 N LYS A 92 54.855 8.635 14.131 1.00 0.00 N ATOM 9 CA LYS A 92 54.184 7.412 14.562 1.00 0.00 C ATOM 10 C LYS A 92 55.193 6.427 15.142 1.00 0.00 C ATOM 11 O LYS A 92 56.204 6.110 14.514 1.00 0.00 O ATOM 12 CB LYS A 92 53.467 6.748 13.384 1.00 0.00 C ATOM 13 CG LYS A 92 52.632 7.791 12.639 1.00 0.00 C ATOM 14 CD LYS A 92 52.591 7.443 11.149 1.00 0.00 C ATOM 15 CE LYS A 92 51.833 8.533 10.390 1.00 0.00 C ATOM 16 NZ LYS A 92 52.584 9.817 10.484 1.00 0.00 N ATOM 0 H LYS A 92 54.887 8.771 13.121 1.00 0.00 H new ATOM 0 HA LYS A 92 53.455 7.682 15.326 1.00 0.00 H new ATOM 0 HB2 LYS A 92 54.195 6.299 12.708 1.00 0.00 H new ATOM 0 HB3 LYS A 92 52.826 5.942 13.742 1.00 0.00 H new ATOM 0 HG2 LYS A 92 51.621 7.820 13.045 1.00 0.00 H new ATOM 0 HG3 LYS A 92 53.060 8.783 12.780 1.00 0.00 H new ATOM 0 HD2 LYS A 92 53.604 7.351 10.758 1.00 0.00 H new ATOM 0 HD3 LYS A 92 52.105 6.479 11.003 1.00 0.00 H new ATOM 0 HE2 LYS A 92 51.711 8.246 9.346 1.00 0.00 H new ATOM 0 HE3 LYS A 92 50.833 8.653 10.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 52.267 10.461 9.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 52.408 10.255 11.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 53.602 9.633 10.376 1.00 0.00 H new ATOM 30 N SER A 93 54.907 5.944 16.348 1.00 0.00 N ATOM 31 CA SER A 93 55.796 4.990 17.006 1.00 0.00 C ATOM 32 C SER A 93 55.852 3.686 16.217 1.00 0.00 C ATOM 33 O SER A 93 55.180 3.533 15.196 1.00 0.00 O ATOM 34 CB SER A 93 55.309 4.692 18.424 1.00 0.00 C ATOM 35 OG SER A 93 55.150 5.913 19.133 1.00 0.00 O ATOM 0 H SER A 93 54.076 6.194 16.885 1.00 0.00 H new ATOM 0 HA SER A 93 56.791 5.433 17.051 1.00 0.00 H new ATOM 0 HB2 SER A 93 54.363 4.152 18.390 1.00 0.00 H new ATOM 0 HB3 SER A 93 56.024 4.050 18.939 1.00 0.00 H new ATOM 0 HG SER A 93 54.836 5.725 20.042 1.00 0.00 H new ATOM 41 N GLU A 94 56.660 2.747 16.701 1.00 0.00 N ATOM 42 CA GLU A 94 56.796 1.456 16.032 1.00 0.00 C ATOM 43 C GLU A 94 55.489 0.672 16.113 1.00 0.00 C ATOM 44 O GLU A 94 55.303 -0.325 15.416 1.00 0.00 O ATOM 45 CB GLU A 94 57.913 0.631 16.675 1.00 0.00 C ATOM 46 CG GLU A 94 59.224 1.419 16.624 1.00 0.00 C ATOM 47 CD GLU A 94 60.260 0.638 15.822 1.00 0.00 C ATOM 48 OE1 GLU A 94 59.871 -0.290 15.132 1.00 0.00 O ATOM 49 OE2 GLU A 94 61.428 0.979 15.910 1.00 0.00 O ATOM 0 H GLU A 94 57.225 2.853 17.544 1.00 0.00 H new ATOM 0 HA GLU A 94 57.042 1.645 14.987 1.00 0.00 H new ATOM 0 HB2 GLU A 94 57.657 0.396 17.708 1.00 0.00 H new ATOM 0 HB3 GLU A 94 58.026 -0.318 16.151 1.00 0.00 H new ATOM 0 HG2 GLU A 94 59.056 2.395 16.168 1.00 0.00 H new ATOM 0 HG3 GLU A 94 59.591 1.599 17.634 1.00 0.00 H new ATOM 56 N GLU A 95 54.585 1.135 16.973 1.00 0.00 N ATOM 57 CA GLU A 95 53.296 0.469 17.138 1.00 0.00 C ATOM 58 C GLU A 95 52.471 0.583 15.860 1.00 0.00 C ATOM 59 O GLU A 95 51.750 -0.341 15.484 1.00 0.00 O ATOM 60 CB GLU A 95 52.512 1.095 18.294 1.00 0.00 C ATOM 61 CG GLU A 95 51.941 -0.010 19.184 1.00 0.00 C ATOM 62 CD GLU A 95 50.815 0.558 20.041 1.00 0.00 C ATOM 63 OE1 GLU A 95 49.984 1.268 19.498 1.00 0.00 O ATOM 64 OE2 GLU A 95 50.799 0.275 21.228 1.00 0.00 O ATOM 0 H GLU A 95 54.718 1.959 17.560 1.00 0.00 H new ATOM 0 HA GLU A 95 53.486 -0.582 17.357 1.00 0.00 H new ATOM 0 HB2 GLU A 95 53.163 1.746 18.878 1.00 0.00 H new ATOM 0 HB3 GLU A 95 51.705 1.716 17.905 1.00 0.00 H new ATOM 0 HG2 GLU A 95 51.567 -0.829 18.570 1.00 0.00 H new ATOM 0 HG3 GLU A 95 52.725 -0.421 19.820 1.00 0.00 H new ATOM 71 N GLU A 96 52.585 1.731 15.198 1.00 0.00 N ATOM 72 CA GLU A 96 51.843 1.962 13.961 1.00 0.00 C ATOM 73 C GLU A 96 52.604 1.398 12.765 1.00 0.00 C ATOM 74 O GLU A 96 52.031 0.723 11.910 1.00 0.00 O ATOM 75 CB GLU A 96 51.616 3.459 13.744 1.00 0.00 C ATOM 76 CG GLU A 96 50.371 3.904 14.513 1.00 0.00 C ATOM 77 CD GLU A 96 50.325 5.427 14.569 1.00 0.00 C ATOM 78 OE1 GLU A 96 51.060 5.994 15.360 1.00 0.00 O ATOM 79 OE2 GLU A 96 49.556 6.005 13.818 1.00 0.00 O ATOM 0 H GLU A 96 53.177 2.508 15.492 1.00 0.00 H new ATOM 0 HA GLU A 96 50.881 1.457 14.050 1.00 0.00 H new ATOM 0 HB2 GLU A 96 52.486 4.022 14.082 1.00 0.00 H new ATOM 0 HB3 GLU A 96 51.494 3.669 12.681 1.00 0.00 H new ATOM 0 HG2 GLU A 96 49.474 3.520 14.027 1.00 0.00 H new ATOM 0 HG3 GLU A 96 50.388 3.493 15.522 1.00 0.00 H new ATOM 86 N LEU A 97 53.903 1.683 12.713 1.00 0.00 N ATOM 87 CA LEU A 97 54.732 1.197 11.614 1.00 0.00 C ATOM 88 C LEU A 97 54.345 -0.233 11.255 1.00 0.00 C ATOM 89 O LEU A 97 54.194 -0.577 10.083 1.00 0.00 O ATOM 90 CB LEU A 97 56.214 1.234 11.999 1.00 0.00 C ATOM 91 CG LEU A 97 56.590 2.642 12.472 1.00 0.00 C ATOM 92 CD1 LEU A 97 58.112 2.778 12.510 1.00 0.00 C ATOM 93 CD2 LEU A 97 56.015 3.681 11.504 1.00 0.00 C ATOM 0 H LEU A 97 54.399 2.240 13.409 1.00 0.00 H new ATOM 0 HA LEU A 97 54.569 1.847 10.754 1.00 0.00 H new ATOM 0 HB2 LEU A 97 56.413 0.510 12.789 1.00 0.00 H new ATOM 0 HB3 LEU A 97 56.829 0.951 11.145 1.00 0.00 H new ATOM 0 HG LEU A 97 56.182 2.807 13.469 1.00 0.00 H new ATOM 0 HD11 LEU A 97 58.380 3.780 12.846 1.00 0.00 H new ATOM 0 HD12 LEU A 97 58.526 2.041 13.198 1.00 0.00 H new ATOM 0 HD13 LEU A 97 58.517 2.610 11.512 1.00 0.00 H new ATOM 0 HD21 LEU A 97 56.284 4.682 11.843 1.00 0.00 H new ATOM 0 HD22 LEU A 97 56.422 3.514 10.507 1.00 0.00 H new ATOM 0 HD23 LEU A 97 54.929 3.588 11.473 1.00 0.00 H new ATOM 105 N SER A 98 54.184 -1.062 12.282 1.00 0.00 N ATOM 106 CA SER A 98 53.809 -2.457 12.073 1.00 0.00 C ATOM 107 C SER A 98 52.769 -2.572 10.962 1.00 0.00 C ATOM 108 O SER A 98 52.698 -3.580 10.259 1.00 0.00 O ATOM 109 CB SER A 98 53.231 -3.054 13.356 1.00 0.00 C ATOM 110 OG SER A 98 53.994 -2.605 14.468 1.00 0.00 O ATOM 0 H SER A 98 54.306 -0.796 13.259 1.00 0.00 H new ATOM 0 HA SER A 98 54.707 -3.005 11.788 1.00 0.00 H new ATOM 0 HB2 SER A 98 52.189 -2.757 13.472 1.00 0.00 H new ATOM 0 HB3 SER A 98 53.248 -4.143 13.304 1.00 0.00 H new ATOM 0 HG SER A 98 53.625 -2.985 15.293 1.00 0.00 H new ATOM 116 N ASP A 99 51.959 -1.526 10.813 1.00 0.00 N ATOM 117 CA ASP A 99 50.920 -1.520 9.786 1.00 0.00 C ATOM 118 C ASP A 99 51.493 -1.069 8.446 1.00 0.00 C ATOM 119 O ASP A 99 51.358 -1.758 7.434 1.00 0.00 O ATOM 120 CB ASP A 99 49.779 -0.581 10.182 1.00 0.00 C ATOM 121 CG ASP A 99 48.735 -1.360 10.975 1.00 0.00 C ATOM 122 OD1 ASP A 99 49.062 -1.817 12.058 1.00 0.00 O ATOM 123 OD2 ASP A 99 47.624 -1.489 10.487 1.00 0.00 O ATOM 0 H ASP A 99 52.001 -0.681 11.383 1.00 0.00 H new ATOM 0 HA ASP A 99 50.537 -2.536 9.692 1.00 0.00 H new ATOM 0 HB2 ASP A 99 50.164 0.245 10.780 1.00 0.00 H new ATOM 0 HB3 ASP A 99 49.325 -0.146 9.291 1.00 0.00 H new ATOM 128 N LEU A 100 52.134 0.095 8.449 1.00 0.00 N ATOM 129 CA LEU A 100 52.725 0.630 7.227 1.00 0.00 C ATOM 130 C LEU A 100 53.431 -0.478 6.452 1.00 0.00 C ATOM 131 O LEU A 100 53.090 -0.767 5.305 1.00 0.00 O ATOM 132 CB LEU A 100 53.736 1.730 7.557 1.00 0.00 C ATOM 133 CG LEU A 100 53.152 3.091 7.175 1.00 0.00 C ATOM 134 CD1 LEU A 100 53.804 4.182 8.025 1.00 0.00 C ATOM 135 CD2 LEU A 100 53.427 3.365 5.694 1.00 0.00 C ATOM 0 H LEU A 100 52.257 0.681 9.275 1.00 0.00 H new ATOM 0 HA LEU A 100 51.923 1.048 6.618 1.00 0.00 H new ATOM 0 HB2 LEU A 100 53.976 1.711 8.620 1.00 0.00 H new ATOM 0 HB3 LEU A 100 54.667 1.557 7.017 1.00 0.00 H new ATOM 0 HG LEU A 100 52.076 3.088 7.351 1.00 0.00 H new ATOM 0 HD11 LEU A 100 53.388 5.152 7.753 1.00 0.00 H new ATOM 0 HD12 LEU A 100 53.610 3.986 9.080 1.00 0.00 H new ATOM 0 HD13 LEU A 100 54.880 4.186 7.849 1.00 0.00 H new ATOM 0 HD21 LEU A 100 53.011 4.335 5.420 1.00 0.00 H new ATOM 0 HD22 LEU A 100 54.503 3.369 5.518 1.00 0.00 H new ATOM 0 HD23 LEU A 100 52.963 2.587 5.088 1.00 0.00 H new ATOM 147 N PHE A 101 54.417 -1.099 7.093 1.00 0.00 N ATOM 148 CA PHE A 101 55.162 -2.180 6.454 1.00 0.00 C ATOM 149 C PHE A 101 54.205 -3.123 5.733 1.00 0.00 C ATOM 150 O PHE A 101 54.431 -3.504 4.584 1.00 0.00 O ATOM 151 CB PHE A 101 55.960 -2.972 7.490 1.00 0.00 C ATOM 152 CG PHE A 101 56.808 -4.005 6.788 1.00 0.00 C ATOM 153 CD1 PHE A 101 56.205 -5.129 6.211 1.00 0.00 C ATOM 154 CD2 PHE A 101 58.196 -3.839 6.712 1.00 0.00 C ATOM 155 CE1 PHE A 101 56.990 -6.087 5.559 1.00 0.00 C ATOM 156 CE2 PHE A 101 58.981 -4.797 6.060 1.00 0.00 C ATOM 157 CZ PHE A 101 58.378 -5.921 5.484 1.00 0.00 C ATOM 0 H PHE A 101 54.716 -0.876 8.042 1.00 0.00 H new ATOM 0 HA PHE A 101 55.851 -1.737 5.735 1.00 0.00 H new ATOM 0 HB2 PHE A 101 56.592 -2.300 8.070 1.00 0.00 H new ATOM 0 HB3 PHE A 101 55.283 -3.458 8.193 1.00 0.00 H new ATOM 0 HD1 PHE A 101 55.134 -5.257 6.269 1.00 0.00 H new ATOM 0 HD2 PHE A 101 58.661 -2.972 7.157 1.00 0.00 H new ATOM 0 HE1 PHE A 101 56.525 -6.954 5.114 1.00 0.00 H new ATOM 0 HE2 PHE A 101 60.052 -4.669 6.001 1.00 0.00 H new ATOM 0 HZ PHE A 101 58.984 -6.661 4.981 1.00 0.00 H new ATOM 167 N ARG A 102 53.123 -3.485 6.417 1.00 0.00 N ATOM 168 CA ARG A 102 52.125 -4.373 5.830 1.00 0.00 C ATOM 169 C ARG A 102 51.335 -3.617 4.771 1.00 0.00 C ATOM 170 O ARG A 102 51.131 -4.101 3.657 1.00 0.00 O ATOM 171 CB ARG A 102 51.163 -4.890 6.903 1.00 0.00 C ATOM 172 CG ARG A 102 50.013 -5.654 6.240 1.00 0.00 C ATOM 173 CD ARG A 102 48.899 -5.888 7.262 1.00 0.00 C ATOM 174 NE ARG A 102 48.145 -7.094 6.935 1.00 0.00 N ATOM 175 CZ ARG A 102 46.995 -7.370 7.544 1.00 0.00 C ATOM 176 NH1 ARG A 102 46.527 -6.560 8.453 1.00 0.00 N ATOM 177 NH2 ARG A 102 46.336 -8.453 7.234 1.00 0.00 N ATOM 0 H ARG A 102 52.916 -3.181 7.368 1.00 0.00 H new ATOM 0 HA ARG A 102 52.638 -5.223 5.379 1.00 0.00 H new ATOM 0 HB2 ARG A 102 51.693 -5.542 7.597 1.00 0.00 H new ATOM 0 HB3 ARG A 102 50.771 -4.056 7.486 1.00 0.00 H new ATOM 0 HG2 ARG A 102 49.629 -5.089 5.391 1.00 0.00 H new ATOM 0 HG3 ARG A 102 50.372 -6.608 5.852 1.00 0.00 H new ATOM 0 HD2 ARG A 102 49.328 -5.980 8.260 1.00 0.00 H new ATOM 0 HD3 ARG A 102 48.229 -5.028 7.281 1.00 0.00 H new ATOM 0 HE ARG A 102 48.505 -7.735 6.228 1.00 0.00 H new ATOM 0 HH11 ARG A 102 47.043 -5.715 8.697 1.00 0.00 H new ATOM 0 HH12 ARG A 102 45.645 -6.772 8.920 1.00 0.00 H new ATOM 0 HH21 ARG A 102 46.703 -9.088 6.525 1.00 0.00 H new ATOM 0 HH22 ARG A 102 45.454 -8.665 7.701 1.00 0.00 H new ATOM 191 N MET A 103 50.906 -2.413 5.133 1.00 0.00 N ATOM 192 CA MET A 103 50.152 -1.575 4.211 1.00 0.00 C ATOM 193 C MET A 103 50.850 -1.537 2.857 1.00 0.00 C ATOM 194 O MET A 103 50.209 -1.489 1.808 1.00 0.00 O ATOM 195 CB MET A 103 50.048 -0.151 4.759 1.00 0.00 C ATOM 196 CG MET A 103 48.673 0.429 4.428 1.00 0.00 C ATOM 197 SD MET A 103 48.859 1.772 3.228 1.00 0.00 S ATOM 198 CE MET A 103 47.363 1.428 2.270 1.00 0.00 C ATOM 0 H MET A 103 51.066 -1.999 6.051 1.00 0.00 H new ATOM 0 HA MET A 103 49.152 -1.994 4.098 1.00 0.00 H new ATOM 0 HB2 MET A 103 50.202 -0.154 5.838 1.00 0.00 H new ATOM 0 HB3 MET A 103 50.830 0.473 4.327 1.00 0.00 H new ATOM 0 HG2 MET A 103 48.026 -0.349 4.022 1.00 0.00 H new ATOM 0 HG3 MET A 103 48.195 0.800 5.335 1.00 0.00 H new ATOM 0 HE1 MET A 103 47.276 2.152 1.460 1.00 0.00 H new ATOM 0 HE2 MET A 103 47.421 0.422 1.854 1.00 0.00 H new ATOM 0 HE3 MET A 103 46.490 1.503 2.919 1.00 0.00 H new ATOM 208 N PHE A 104 52.180 -1.562 2.901 1.00 0.00 N ATOM 209 CA PHE A 104 52.978 -1.533 1.680 1.00 0.00 C ATOM 210 C PHE A 104 53.017 -2.915 1.036 1.00 0.00 C ATOM 211 O PHE A 104 52.663 -3.083 -0.131 1.00 0.00 O ATOM 212 CB PHE A 104 54.409 -1.091 1.991 1.00 0.00 C ATOM 213 CG PHE A 104 54.941 -0.260 0.848 1.00 0.00 C ATOM 214 CD1 PHE A 104 54.713 -0.660 -0.474 1.00 0.00 C ATOM 215 CD2 PHE A 104 55.664 0.911 1.110 1.00 0.00 C ATOM 216 CE1 PHE A 104 55.206 0.110 -1.534 1.00 0.00 C ATOM 217 CE2 PHE A 104 56.157 1.681 0.050 1.00 0.00 C ATOM 218 CZ PHE A 104 55.928 1.281 -1.272 1.00 0.00 C ATOM 0 H PHE A 104 52.724 -1.602 3.763 1.00 0.00 H new ATOM 0 HA PHE A 104 52.517 -0.824 0.992 1.00 0.00 H new ATOM 0 HB2 PHE A 104 54.429 -0.513 2.915 1.00 0.00 H new ATOM 0 HB3 PHE A 104 55.044 -1.963 2.147 1.00 0.00 H new ATOM 0 HD1 PHE A 104 54.156 -1.563 -0.676 1.00 0.00 H new ATOM 0 HD2 PHE A 104 55.841 1.220 2.130 1.00 0.00 H new ATOM 0 HE1 PHE A 104 55.030 -0.199 -2.554 1.00 0.00 H new ATOM 0 HE2 PHE A 104 56.714 2.584 0.252 1.00 0.00 H new ATOM 0 HZ PHE A 104 56.308 1.875 -2.090 1.00 0.00 H new ATOM 228 N ASP A 105 53.453 -3.903 1.812 1.00 0.00 N ATOM 229 CA ASP A 105 53.539 -5.271 1.309 1.00 0.00 C ATOM 230 C ASP A 105 52.202 -5.709 0.722 1.00 0.00 C ATOM 231 O ASP A 105 51.356 -6.271 1.417 1.00 0.00 O ATOM 232 CB ASP A 105 53.927 -6.234 2.433 1.00 0.00 C ATOM 233 CG ASP A 105 54.338 -7.575 1.835 1.00 0.00 C ATOM 234 OD1 ASP A 105 54.611 -7.612 0.646 1.00 0.00 O ATOM 235 OD2 ASP A 105 54.375 -8.545 2.573 1.00 0.00 O ATOM 0 H ASP A 105 53.749 -3.785 2.781 1.00 0.00 H new ATOM 0 HA ASP A 105 54.303 -5.294 0.532 1.00 0.00 H new ATOM 0 HB2 ASP A 105 54.748 -5.817 3.016 1.00 0.00 H new ATOM 0 HB3 ASP A 105 53.088 -6.370 3.115 1.00 0.00 H new ATOM 240 N LYS A 106 52.023 -5.449 -0.570 1.00 0.00 N ATOM 241 CA LYS A 106 50.785 -5.823 -1.246 1.00 0.00 C ATOM 242 C LYS A 106 50.910 -7.221 -1.846 1.00 0.00 C ATOM 243 O LYS A 106 50.089 -7.637 -2.664 1.00 0.00 O ATOM 244 CB LYS A 106 50.460 -4.827 -2.361 1.00 0.00 C ATOM 245 CG LYS A 106 49.969 -3.514 -1.745 1.00 0.00 C ATOM 246 CD LYS A 106 48.492 -3.311 -2.085 1.00 0.00 C ATOM 247 CE LYS A 106 47.663 -4.439 -1.467 1.00 0.00 C ATOM 248 NZ LYS A 106 46.615 -3.859 -0.581 1.00 0.00 N ATOM 0 H LYS A 106 52.711 -4.986 -1.164 1.00 0.00 H new ATOM 0 HA LYS A 106 49.982 -5.813 -0.509 1.00 0.00 H new ATOM 0 HB2 LYS A 106 51.345 -4.646 -2.971 1.00 0.00 H new ATOM 0 HB3 LYS A 106 49.697 -5.240 -3.021 1.00 0.00 H new ATOM 0 HG2 LYS A 106 50.105 -3.534 -0.664 1.00 0.00 H new ATOM 0 HG3 LYS A 106 50.558 -2.679 -2.124 1.00 0.00 H new ATOM 0 HD2 LYS A 106 48.151 -2.347 -1.708 1.00 0.00 H new ATOM 0 HD3 LYS A 106 48.356 -3.297 -3.166 1.00 0.00 H new ATOM 0 HE2 LYS A 106 47.200 -5.036 -2.252 1.00 0.00 H new ATOM 0 HE3 LYS A 106 48.308 -5.107 -0.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 46.052 -4.626 -0.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 47.067 -3.307 0.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 45.994 -3.239 -1.138 1.00 0.00 H new ATOM 262 N ASN A 107 51.948 -7.940 -1.429 1.00 0.00 N ATOM 263 CA ASN A 107 52.177 -9.293 -1.927 1.00 0.00 C ATOM 264 C ASN A 107 52.096 -10.307 -0.788 1.00 0.00 C ATOM 265 O ASN A 107 52.193 -11.515 -1.008 1.00 0.00 O ATOM 266 CB ASN A 107 53.555 -9.392 -2.586 1.00 0.00 C ATOM 267 CG ASN A 107 53.871 -10.852 -2.895 1.00 0.00 C ATOM 268 OD1 ASN A 107 52.996 -11.607 -3.318 1.00 0.00 O ATOM 269 ND2 ASN A 107 55.083 -11.298 -2.708 1.00 0.00 N ATOM 0 H ASN A 107 52.639 -7.612 -0.754 1.00 0.00 H new ATOM 0 HA ASN A 107 51.404 -9.515 -2.662 1.00 0.00 H new ATOM 0 HB2 ASN A 107 53.574 -8.803 -3.503 1.00 0.00 H new ATOM 0 HB3 ASN A 107 54.316 -8.977 -1.925 1.00 0.00 H new ATOM 0 HD21 ASN A 107 55.305 -12.272 -2.912 1.00 0.00 H new ATOM 0 HD22 ASN A 107 55.808 -10.672 -2.357 1.00 0.00 H new ATOM 276 N ALA A 108 51.918 -9.804 0.432 1.00 0.00 N ATOM 277 CA ALA A 108 51.826 -10.678 1.598 1.00 0.00 C ATOM 278 C ALA A 108 52.949 -11.709 1.578 1.00 0.00 C ATOM 279 O ALA A 108 52.706 -12.916 1.584 1.00 0.00 O ATOM 280 CB ALA A 108 50.481 -11.407 1.618 1.00 0.00 C ATOM 0 H ALA A 108 51.836 -8.808 0.637 1.00 0.00 H new ATOM 0 HA ALA A 108 51.915 -10.059 2.491 1.00 0.00 H new ATOM 0 HB1 ALA A 108 50.431 -12.054 2.494 1.00 0.00 H new ATOM 0 HB2 ALA A 108 49.672 -10.677 1.659 1.00 0.00 H new ATOM 0 HB3 ALA A 108 50.381 -12.010 0.716 1.00 0.00 H new ATOM 286 N ASP A 109 54.185 -11.218 1.554 1.00 0.00 N ATOM 287 CA ASP A 109 55.347 -12.103 1.534 1.00 0.00 C ATOM 288 C ASP A 109 56.323 -11.737 2.650 1.00 0.00 C ATOM 289 O ASP A 109 57.396 -12.326 2.770 1.00 0.00 O ATOM 290 CB ASP A 109 56.068 -12.008 0.188 1.00 0.00 C ATOM 291 CG ASP A 109 56.760 -10.654 0.075 1.00 0.00 C ATOM 292 OD1 ASP A 109 56.110 -9.655 0.338 1.00 0.00 O ATOM 293 OD2 ASP A 109 57.929 -10.635 -0.274 1.00 0.00 O ATOM 0 H ASP A 109 54.407 -10.223 1.548 1.00 0.00 H new ATOM 0 HA ASP A 109 54.993 -13.123 1.686 1.00 0.00 H new ATOM 0 HB2 ASP A 109 56.800 -12.811 0.098 1.00 0.00 H new ATOM 0 HB3 ASP A 109 55.356 -12.133 -0.628 1.00 0.00 H new ATOM 298 N GLY A 110 55.937 -10.759 3.467 1.00 0.00 N ATOM 299 CA GLY A 110 56.787 -10.326 4.572 1.00 0.00 C ATOM 300 C GLY A 110 58.007 -9.567 4.059 1.00 0.00 C ATOM 301 O GLY A 110 58.927 -9.262 4.817 1.00 0.00 O ATOM 0 H GLY A 110 55.053 -10.257 3.386 1.00 0.00 H new ATOM 0 HA2 GLY A 110 56.215 -9.689 5.247 1.00 0.00 H new ATOM 0 HA3 GLY A 110 57.110 -11.193 5.149 1.00 0.00 H new ATOM 305 N TYR A 111 58.006 -9.267 2.763 1.00 0.00 N ATOM 306 CA TYR A 111 59.123 -8.544 2.163 1.00 0.00 C ATOM 307 C TYR A 111 58.663 -7.777 0.927 1.00 0.00 C ATOM 308 O TYR A 111 58.446 -8.358 -0.136 1.00 0.00 O ATOM 309 CB TYR A 111 60.233 -9.516 1.759 1.00 0.00 C ATOM 310 CG TYR A 111 60.925 -10.034 2.996 1.00 0.00 C ATOM 311 CD1 TYR A 111 60.417 -11.153 3.666 1.00 0.00 C ATOM 312 CD2 TYR A 111 62.074 -9.394 3.475 1.00 0.00 C ATOM 313 CE1 TYR A 111 61.058 -11.633 4.814 1.00 0.00 C ATOM 314 CE2 TYR A 111 62.716 -9.873 4.623 1.00 0.00 C ATOM 315 CZ TYR A 111 62.208 -10.993 5.293 1.00 0.00 C ATOM 316 OH TYR A 111 62.840 -11.466 6.425 1.00 0.00 O ATOM 0 H TYR A 111 57.256 -9.509 2.116 1.00 0.00 H new ATOM 0 HA TYR A 111 59.504 -7.842 2.904 1.00 0.00 H new ATOM 0 HB2 TYR A 111 59.815 -10.346 1.189 1.00 0.00 H new ATOM 0 HB3 TYR A 111 60.952 -9.015 1.111 1.00 0.00 H new ATOM 0 HD1 TYR A 111 59.530 -11.646 3.297 1.00 0.00 H new ATOM 0 HD2 TYR A 111 62.465 -8.530 2.959 1.00 0.00 H new ATOM 0 HE1 TYR A 111 60.666 -12.497 5.330 1.00 0.00 H new ATOM 0 HE2 TYR A 111 63.603 -9.379 4.992 1.00 0.00 H new ATOM 0 HH TYR A 111 63.622 -10.909 6.620 1.00 0.00 H new ATOM 326 N ILE A 112 58.521 -6.462 1.076 1.00 0.00 N ATOM 327 CA ILE A 112 58.090 -5.625 -0.041 1.00 0.00 C ATOM 328 C ILE A 112 59.122 -5.675 -1.160 1.00 0.00 C ATOM 329 O ILE A 112 60.328 -5.649 -0.918 1.00 0.00 O ATOM 330 CB ILE A 112 57.906 -4.173 0.405 1.00 0.00 C ATOM 331 CG1 ILE A 112 56.661 -4.066 1.286 1.00 0.00 C ATOM 332 CG2 ILE A 112 57.735 -3.273 -0.822 1.00 0.00 C ATOM 333 CD1 ILE A 112 57.068 -3.597 2.681 1.00 0.00 C ATOM 0 H ILE A 112 58.695 -5.959 1.946 1.00 0.00 H new ATOM 0 HA ILE A 112 57.136 -6.009 -0.401 1.00 0.00 H new ATOM 0 HB ILE A 112 58.784 -3.856 0.968 1.00 0.00 H new ATOM 0 HG12 ILE A 112 55.950 -3.366 0.847 1.00 0.00 H new ATOM 0 HG13 ILE A 112 56.160 -5.032 1.346 1.00 0.00 H new ATOM 0 HG21 ILE A 112 57.604 -2.240 -0.500 1.00 0.00 H new ATOM 0 HG22 ILE A 112 58.620 -3.347 -1.454 1.00 0.00 H new ATOM 0 HG23 ILE A 112 56.859 -3.591 -1.387 1.00 0.00 H new ATOM 0 HD11 ILE A 112 56.182 -3.520 3.312 1.00 0.00 H new ATOM 0 HD12 ILE A 112 57.763 -4.314 3.118 1.00 0.00 H new ATOM 0 HD13 ILE A 112 57.550 -2.622 2.611 1.00 0.00 H new ATOM 345 N ASP A 113 58.629 -5.745 -2.390 1.00 0.00 N ATOM 346 CA ASP A 113 59.511 -5.800 -3.551 1.00 0.00 C ATOM 347 C ASP A 113 59.250 -4.615 -4.473 1.00 0.00 C ATOM 348 O ASP A 113 58.391 -3.776 -4.201 1.00 0.00 O ATOM 349 CB ASP A 113 59.289 -7.097 -4.330 1.00 0.00 C ATOM 350 CG ASP A 113 57.797 -7.292 -4.581 1.00 0.00 C ATOM 351 OD1 ASP A 113 57.093 -6.297 -4.653 1.00 0.00 O ATOM 352 OD2 ASP A 113 57.380 -8.432 -4.697 1.00 0.00 O ATOM 0 H ASP A 113 57.633 -5.765 -2.610 1.00 0.00 H new ATOM 0 HA ASP A 113 60.540 -5.763 -3.195 1.00 0.00 H new ATOM 0 HB2 ASP A 113 59.826 -7.061 -5.278 1.00 0.00 H new ATOM 0 HB3 ASP A 113 59.688 -7.943 -3.770 1.00 0.00 H new ATOM 357 N LEU A 114 60.000 -4.557 -5.570 1.00 0.00 N ATOM 358 CA LEU A 114 59.839 -3.470 -6.530 1.00 0.00 C ATOM 359 C LEU A 114 58.448 -3.520 -7.151 1.00 0.00 C ATOM 360 O LEU A 114 57.792 -2.493 -7.327 1.00 0.00 O ATOM 361 CB LEU A 114 60.885 -3.571 -7.642 1.00 0.00 C ATOM 362 CG LEU A 114 61.146 -2.181 -8.224 1.00 0.00 C ATOM 363 CD1 LEU A 114 62.458 -1.630 -7.663 1.00 0.00 C ATOM 364 CD2 LEU A 114 61.247 -2.276 -9.748 1.00 0.00 C ATOM 0 H LEU A 114 60.716 -5.241 -5.814 1.00 0.00 H new ATOM 0 HA LEU A 114 59.971 -2.528 -5.998 1.00 0.00 H new ATOM 0 HB2 LEU A 114 61.810 -3.992 -7.248 1.00 0.00 H new ATOM 0 HB3 LEU A 114 60.536 -4.245 -8.424 1.00 0.00 H new ATOM 0 HG LEU A 114 60.326 -1.516 -7.953 1.00 0.00 H new ATOM 0 HD11 LEU A 114 62.644 -0.639 -8.078 1.00 0.00 H new ATOM 0 HD12 LEU A 114 62.389 -1.562 -6.577 1.00 0.00 H new ATOM 0 HD13 LEU A 114 63.277 -2.296 -7.933 1.00 0.00 H new ATOM 0 HD21 LEU A 114 61.433 -1.285 -10.163 1.00 0.00 H new ATOM 0 HD22 LEU A 114 62.067 -2.942 -10.018 1.00 0.00 H new ATOM 0 HD23 LEU A 114 60.313 -2.668 -10.151 1.00 0.00 H new ATOM 376 N GLU A 115 58.005 -4.730 -7.477 1.00 0.00 N ATOM 377 CA GLU A 115 56.687 -4.911 -8.076 1.00 0.00 C ATOM 378 C GLU A 115 55.609 -4.362 -7.149 1.00 0.00 C ATOM 379 O GLU A 115 54.496 -4.055 -7.577 1.00 0.00 O ATOM 380 CB GLU A 115 56.417 -6.394 -8.337 1.00 0.00 C ATOM 381 CG GLU A 115 57.301 -6.878 -9.488 1.00 0.00 C ATOM 382 CD GLU A 115 56.451 -7.055 -10.742 1.00 0.00 C ATOM 383 OE1 GLU A 115 55.298 -6.657 -10.713 1.00 0.00 O ATOM 384 OE2 GLU A 115 56.966 -7.585 -11.713 1.00 0.00 O ATOM 0 H GLU A 115 58.533 -5.592 -7.339 1.00 0.00 H new ATOM 0 HA GLU A 115 56.665 -4.370 -9.022 1.00 0.00 H new ATOM 0 HB2 GLU A 115 56.621 -6.976 -7.438 1.00 0.00 H new ATOM 0 HB3 GLU A 115 55.366 -6.546 -8.583 1.00 0.00 H new ATOM 0 HG2 GLU A 115 58.099 -6.159 -9.675 1.00 0.00 H new ATOM 0 HG3 GLU A 115 57.778 -7.822 -9.223 1.00 0.00 H new ATOM 391 N GLU A 116 55.956 -4.241 -5.870 1.00 0.00 N ATOM 392 CA GLU A 116 55.016 -3.724 -4.880 1.00 0.00 C ATOM 393 C GLU A 116 55.235 -2.229 -4.669 1.00 0.00 C ATOM 394 O GLU A 116 54.321 -1.502 -4.282 1.00 0.00 O ATOM 395 CB GLU A 116 55.193 -4.447 -3.542 1.00 0.00 C ATOM 396 CG GLU A 116 54.387 -5.746 -3.554 1.00 0.00 C ATOM 397 CD GLU A 116 55.148 -6.824 -2.791 1.00 0.00 C ATOM 398 OE1 GLU A 116 55.421 -6.614 -1.621 1.00 0.00 O ATOM 399 OE2 GLU A 116 55.449 -7.845 -3.389 1.00 0.00 O ATOM 0 H GLU A 116 56.872 -4.491 -5.498 1.00 0.00 H new ATOM 0 HA GLU A 116 54.006 -3.896 -5.253 1.00 0.00 H new ATOM 0 HB2 GLU A 116 56.248 -4.662 -3.370 1.00 0.00 H new ATOM 0 HB3 GLU A 116 54.860 -3.808 -2.724 1.00 0.00 H new ATOM 0 HG2 GLU A 116 53.410 -5.584 -3.099 1.00 0.00 H new ATOM 0 HG3 GLU A 116 54.211 -6.068 -4.580 1.00 0.00 H new ATOM 406 N LEU A 117 56.460 -1.780 -4.929 1.00 0.00 N ATOM 407 CA LEU A 117 56.793 -0.367 -4.766 1.00 0.00 C ATOM 408 C LEU A 117 55.973 0.485 -5.729 1.00 0.00 C ATOM 409 O LEU A 117 55.211 1.358 -5.313 1.00 0.00 O ATOM 410 CB LEU A 117 58.281 -0.131 -5.029 1.00 0.00 C ATOM 411 CG LEU A 117 59.004 0.085 -3.699 1.00 0.00 C ATOM 412 CD1 LEU A 117 60.181 -0.886 -3.592 1.00 0.00 C ATOM 413 CD2 LEU A 117 59.522 1.523 -3.628 1.00 0.00 C ATOM 0 H LEU A 117 57.231 -2.366 -5.250 1.00 0.00 H new ATOM 0 HA LEU A 117 56.561 -0.082 -3.740 1.00 0.00 H new ATOM 0 HB2 LEU A 117 58.709 -0.985 -5.554 1.00 0.00 H new ATOM 0 HB3 LEU A 117 58.414 0.738 -5.673 1.00 0.00 H new ATOM 0 HG LEU A 117 58.311 -0.094 -2.877 1.00 0.00 H new ATOM 0 HD11 LEU A 117 60.695 -0.731 -2.644 1.00 0.00 H new ATOM 0 HD12 LEU A 117 59.813 -1.911 -3.642 1.00 0.00 H new ATOM 0 HD13 LEU A 117 60.875 -0.709 -4.414 1.00 0.00 H new ATOM 0 HD21 LEU A 117 60.037 1.678 -2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 117 60.214 1.701 -4.451 1.00 0.00 H new ATOM 0 HD23 LEU A 117 58.684 2.216 -3.702 1.00 0.00 H new ATOM 425 N LYS A 118 56.134 0.220 -7.023 1.00 0.00 N ATOM 426 CA LYS A 118 55.397 0.968 -8.039 1.00 0.00 C ATOM 427 C LYS A 118 53.973 1.240 -7.564 1.00 0.00 C ATOM 428 O LYS A 118 53.468 2.357 -7.671 1.00 0.00 O ATOM 429 CB LYS A 118 55.337 0.184 -9.352 1.00 0.00 C ATOM 430 CG LYS A 118 56.748 -0.225 -9.778 1.00 0.00 C ATOM 431 CD LYS A 118 56.714 -0.737 -11.220 1.00 0.00 C ATOM 432 CE LYS A 118 58.130 -0.733 -11.799 1.00 0.00 C ATOM 433 NZ LYS A 118 58.252 -1.806 -12.827 1.00 0.00 N ATOM 0 H LYS A 118 56.760 -0.497 -7.390 1.00 0.00 H new ATOM 0 HA LYS A 118 55.919 1.911 -8.205 1.00 0.00 H new ATOM 0 HB2 LYS A 118 54.714 -0.702 -9.229 1.00 0.00 H new ATOM 0 HB3 LYS A 118 54.875 0.793 -10.129 1.00 0.00 H new ATOM 0 HG2 LYS A 118 57.425 0.625 -9.698 1.00 0.00 H new ATOM 0 HG3 LYS A 118 57.130 -1.000 -9.114 1.00 0.00 H new ATOM 0 HD2 LYS A 118 56.301 -1.745 -11.249 1.00 0.00 H new ATOM 0 HD3 LYS A 118 56.061 -0.108 -11.825 1.00 0.00 H new ATOM 0 HE2 LYS A 118 58.349 0.238 -12.244 1.00 0.00 H new ATOM 0 HE3 LYS A 118 58.859 -0.892 -11.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 59.215 -1.802 -13.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 58.060 -2.730 -12.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 57.566 -1.635 -13.590 1.00 0.00 H new ATOM 447 N ILE A 119 53.334 0.198 -7.039 1.00 0.00 N ATOM 448 CA ILE A 119 51.964 0.321 -6.548 1.00 0.00 C ATOM 449 C ILE A 119 51.814 1.563 -5.677 1.00 0.00 C ATOM 450 O ILE A 119 50.816 2.280 -5.759 1.00 0.00 O ATOM 451 CB ILE A 119 51.578 -0.912 -5.729 1.00 0.00 C ATOM 452 CG1 ILE A 119 51.753 -2.167 -6.587 1.00 0.00 C ATOM 453 CG2 ILE A 119 50.118 -0.795 -5.290 1.00 0.00 C ATOM 454 CD1 ILE A 119 51.406 -3.406 -5.759 1.00 0.00 C ATOM 0 H ILE A 119 53.738 -0.734 -6.943 1.00 0.00 H new ATOM 0 HA ILE A 119 51.305 0.406 -7.412 1.00 0.00 H new ATOM 0 HB ILE A 119 52.218 -0.980 -4.849 1.00 0.00 H new ATOM 0 HG12 ILE A 119 51.110 -2.112 -7.465 1.00 0.00 H new ATOM 0 HG13 ILE A 119 52.780 -2.233 -6.947 1.00 0.00 H new ATOM 0 HG21 ILE A 119 49.842 -1.673 -4.706 1.00 0.00 H new ATOM 0 HG22 ILE A 119 49.992 0.100 -4.681 1.00 0.00 H new ATOM 0 HG23 ILE A 119 49.478 -0.728 -6.170 1.00 0.00 H new ATOM 0 HD11 ILE A 119 51.531 -4.299 -6.371 1.00 0.00 H new ATOM 0 HD12 ILE A 119 52.068 -3.463 -4.895 1.00 0.00 H new ATOM 0 HD13 ILE A 119 50.372 -3.340 -5.421 1.00 0.00 H new ATOM 466 N MET A 120 52.816 1.809 -4.839 1.00 0.00 N ATOM 467 CA MET A 120 52.786 2.969 -3.952 1.00 0.00 C ATOM 468 C MET A 120 52.837 4.260 -4.763 1.00 0.00 C ATOM 469 O MET A 120 52.516 5.338 -4.263 1.00 0.00 O ATOM 470 CB MET A 120 53.973 2.938 -2.988 1.00 0.00 C ATOM 471 CG MET A 120 53.572 3.590 -1.663 1.00 0.00 C ATOM 472 SD MET A 120 52.374 2.535 -0.809 1.00 0.00 S ATOM 473 CE MET A 120 52.063 3.634 0.595 1.00 0.00 C ATOM 0 H MET A 120 53.651 1.229 -4.755 1.00 0.00 H new ATOM 0 HA MET A 120 51.857 2.933 -3.383 1.00 0.00 H new ATOM 0 HB2 MET A 120 54.290 1.909 -2.818 1.00 0.00 H new ATOM 0 HB3 MET A 120 54.822 3.465 -3.423 1.00 0.00 H new ATOM 0 HG2 MET A 120 54.452 3.739 -1.038 1.00 0.00 H new ATOM 0 HG3 MET A 120 53.141 4.574 -1.846 1.00 0.00 H new ATOM 0 HE1 MET A 120 51.338 3.172 1.265 1.00 0.00 H new ATOM 0 HE2 MET A 120 52.994 3.809 1.134 1.00 0.00 H new ATOM 0 HE3 MET A 120 51.670 4.584 0.233 1.00 0.00 H new ATOM 483 N LEU A 121 53.244 4.137 -6.024 1.00 0.00 N ATOM 484 CA LEU A 121 53.333 5.300 -6.901 1.00 0.00 C ATOM 485 C LEU A 121 52.213 5.272 -7.936 1.00 0.00 C ATOM 486 O LEU A 121 51.569 6.286 -8.205 1.00 0.00 O ATOM 487 CB LEU A 121 54.680 5.323 -7.625 1.00 0.00 C ATOM 488 CG LEU A 121 55.777 4.841 -6.675 1.00 0.00 C ATOM 489 CD1 LEU A 121 57.145 5.055 -7.326 1.00 0.00 C ATOM 490 CD2 LEU A 121 55.704 5.637 -5.369 1.00 0.00 C ATOM 0 H LEU A 121 53.514 3.254 -6.457 1.00 0.00 H new ATOM 0 HA LEU A 121 53.238 6.194 -6.285 1.00 0.00 H new ATOM 0 HB2 LEU A 121 54.642 4.684 -8.507 1.00 0.00 H new ATOM 0 HB3 LEU A 121 54.902 6.332 -7.971 1.00 0.00 H new ATOM 0 HG LEU A 121 55.637 3.781 -6.464 1.00 0.00 H new ATOM 0 HD11 LEU A 121 57.928 4.712 -6.649 1.00 0.00 H new ATOM 0 HD12 LEU A 121 57.197 4.491 -8.257 1.00 0.00 H new ATOM 0 HD13 LEU A 121 57.286 6.115 -7.536 1.00 0.00 H new ATOM 0 HD21 LEU A 121 56.485 5.295 -4.690 1.00 0.00 H new ATOM 0 HD22 LEU A 121 55.846 6.697 -5.580 1.00 0.00 H new ATOM 0 HD23 LEU A 121 54.729 5.487 -4.905 1.00 0.00 H new ATOM 502 N GLN A 122 51.990 4.095 -8.513 1.00 0.00 N ATOM 503 CA GLN A 122 50.945 3.934 -9.521 1.00 0.00 C ATOM 504 C GLN A 122 49.580 4.286 -8.939 1.00 0.00 C ATOM 505 O GLN A 122 48.781 4.980 -9.569 1.00 0.00 O ATOM 506 CB GLN A 122 50.911 2.491 -10.031 1.00 0.00 C ATOM 507 CG GLN A 122 50.993 2.487 -11.558 1.00 0.00 C ATOM 508 CD GLN A 122 52.036 1.471 -12.008 1.00 0.00 C ATOM 509 OE1 GLN A 122 53.222 1.789 -12.102 1.00 0.00 O ATOM 510 NE2 GLN A 122 51.663 0.253 -12.293 1.00 0.00 N ATOM 0 H GLN A 122 52.513 3.245 -8.303 1.00 0.00 H new ATOM 0 HA GLN A 122 51.171 4.607 -10.348 1.00 0.00 H new ATOM 0 HB2 GLN A 122 51.743 1.926 -9.610 1.00 0.00 H new ATOM 0 HB3 GLN A 122 49.994 2.000 -9.704 1.00 0.00 H new ATOM 0 HG2 GLN A 122 50.021 2.239 -11.984 1.00 0.00 H new ATOM 0 HG3 GLN A 122 51.257 3.480 -11.921 1.00 0.00 H new ATOM 0 HE21 GLN A 122 50.681 -0.011 -12.215 1.00 0.00 H new ATOM 0 HE22 GLN A 122 52.354 -0.435 -12.593 1.00 0.00 H new ATOM 519 N ALA A 123 49.320 3.796 -7.730 1.00 0.00 N ATOM 520 CA ALA A 123 48.044 4.060 -7.070 1.00 0.00 C ATOM 521 C ALA A 123 47.936 5.529 -6.675 1.00 0.00 C ATOM 522 O ALA A 123 46.839 6.071 -6.544 1.00 0.00 O ATOM 523 CB ALA A 123 47.900 3.197 -5.816 1.00 0.00 C ATOM 0 H ALA A 123 49.968 3.220 -7.192 1.00 0.00 H new ATOM 0 HA ALA A 123 47.249 3.815 -7.774 1.00 0.00 H new ATOM 0 HB1 ALA A 123 46.943 3.407 -5.338 1.00 0.00 H new ATOM 0 HB2 ALA A 123 47.944 2.144 -6.092 1.00 0.00 H new ATOM 0 HB3 ALA A 123 48.710 3.424 -5.123 1.00 0.00 H new ATOM 529 N THR A 124 49.087 6.167 -6.484 1.00 0.00 N ATOM 530 CA THR A 124 49.108 7.575 -6.099 1.00 0.00 C ATOM 531 C THR A 124 49.092 8.468 -7.336 1.00 0.00 C ATOM 532 O THR A 124 49.954 9.329 -7.510 1.00 0.00 O ATOM 533 CB THR A 124 50.357 7.888 -5.273 1.00 0.00 C ATOM 534 OG1 THR A 124 51.466 7.184 -5.812 1.00 0.00 O ATOM 535 CG2 THR A 124 50.130 7.456 -3.823 1.00 0.00 C ATOM 0 H THR A 124 50.007 5.738 -6.588 1.00 0.00 H new ATOM 0 HA THR A 124 48.219 7.771 -5.499 1.00 0.00 H new ATOM 0 HB THR A 124 50.557 8.959 -5.304 1.00 0.00 H new ATOM 0 HG1 THR A 124 51.862 6.616 -5.118 1.00 0.00 H new ATOM 0 HG21 THR A 124 51.019 7.679 -3.234 1.00 0.00 H new ATOM 0 HG22 THR A 124 49.277 7.996 -3.412 1.00 0.00 H new ATOM 0 HG23 THR A 124 49.931 6.385 -3.789 1.00 0.00 H new ATOM 543 N GLY A 125 48.096 8.253 -8.191 1.00 0.00 N ATOM 544 CA GLY A 125 47.968 9.046 -9.411 1.00 0.00 C ATOM 545 C GLY A 125 48.944 8.569 -10.483 1.00 0.00 C ATOM 546 O GLY A 125 49.013 9.137 -11.572 1.00 0.00 O ATOM 0 H GLY A 125 47.373 7.545 -8.065 1.00 0.00 H new ATOM 0 HA2 GLY A 125 46.947 8.977 -9.788 1.00 0.00 H new ATOM 0 HA3 GLY A 125 48.155 10.096 -9.187 1.00 0.00 H new ATOM 550 N GLU A 126 49.700 7.520 -10.162 1.00 0.00 N ATOM 551 CA GLU A 126 50.671 6.975 -11.107 1.00 0.00 C ATOM 552 C GLU A 126 51.343 8.100 -11.888 1.00 0.00 C ATOM 553 O GLU A 126 51.152 8.238 -13.096 1.00 0.00 O ATOM 554 CB GLU A 126 49.987 6.021 -12.090 1.00 0.00 C ATOM 555 CG GLU A 126 48.625 6.589 -12.494 1.00 0.00 C ATOM 556 CD GLU A 126 47.973 5.668 -13.519 1.00 0.00 C ATOM 557 OE1 GLU A 126 47.807 4.499 -13.214 1.00 0.00 O ATOM 558 OE2 GLU A 126 47.650 6.147 -14.593 1.00 0.00 O ATOM 0 H GLU A 126 49.660 7.036 -9.265 1.00 0.00 H new ATOM 0 HA GLU A 126 51.423 6.428 -10.539 1.00 0.00 H new ATOM 0 HB2 GLU A 126 50.611 5.884 -12.973 1.00 0.00 H new ATOM 0 HB3 GLU A 126 49.862 5.040 -11.632 1.00 0.00 H new ATOM 0 HG2 GLU A 126 47.985 6.685 -11.617 1.00 0.00 H new ATOM 0 HG3 GLU A 126 48.746 7.588 -12.912 1.00 0.00 H new ATOM 565 N THR A 127 52.134 8.902 -11.180 1.00 0.00 N ATOM 566 CA THR A 127 52.834 10.018 -11.811 1.00 0.00 C ATOM 567 C THR A 127 54.272 10.093 -11.309 1.00 0.00 C ATOM 568 O THR A 127 54.746 11.151 -10.892 1.00 0.00 O ATOM 569 CB THR A 127 52.125 11.338 -11.501 1.00 0.00 C ATOM 570 OG1 THR A 127 50.787 11.073 -11.106 1.00 0.00 O ATOM 571 CG2 THR A 127 52.124 12.225 -12.747 1.00 0.00 C ATOM 0 H THR A 127 52.306 8.802 -10.179 1.00 0.00 H new ATOM 0 HA THR A 127 52.834 9.853 -12.888 1.00 0.00 H new ATOM 0 HB THR A 127 52.649 11.851 -10.694 1.00 0.00 H new ATOM 0 HG1 THR A 127 50.366 10.474 -11.757 1.00 0.00 H new ATOM 0 HG21 THR A 127 51.619 13.165 -12.524 1.00 0.00 H new ATOM 0 HG22 THR A 127 53.151 12.428 -13.050 1.00 0.00 H new ATOM 0 HG23 THR A 127 51.601 11.715 -13.556 1.00 0.00 H new ATOM 579 N ILE A 128 54.959 8.955 -11.352 1.00 0.00 N ATOM 580 CA ILE A 128 56.346 8.893 -10.898 1.00 0.00 C ATOM 581 C ILE A 128 57.233 8.283 -11.980 1.00 0.00 C ATOM 582 O ILE A 128 56.817 7.381 -12.708 1.00 0.00 O ATOM 583 CB ILE A 128 56.453 8.046 -9.627 1.00 0.00 C ATOM 584 CG1 ILE A 128 55.836 8.810 -8.453 1.00 0.00 C ATOM 585 CG2 ILE A 128 57.924 7.750 -9.325 1.00 0.00 C ATOM 586 CD1 ILE A 128 56.484 10.190 -8.342 1.00 0.00 C ATOM 0 H ILE A 128 54.583 8.070 -11.693 1.00 0.00 H new ATOM 0 HA ILE A 128 56.679 9.909 -10.686 1.00 0.00 H new ATOM 0 HB ILE A 128 55.919 7.107 -9.774 1.00 0.00 H new ATOM 0 HG12 ILE A 128 54.761 8.913 -8.598 1.00 0.00 H new ATOM 0 HG13 ILE A 128 55.981 8.253 -7.527 1.00 0.00 H new ATOM 0 HG21 ILE A 128 57.995 7.147 -8.420 1.00 0.00 H new ATOM 0 HG22 ILE A 128 58.364 7.205 -10.160 1.00 0.00 H new ATOM 0 HG23 ILE A 128 58.461 8.687 -9.180 1.00 0.00 H new ATOM 0 HD11 ILE A 128 56.043 10.733 -7.506 1.00 0.00 H new ATOM 0 HD12 ILE A 128 57.555 10.077 -8.177 1.00 0.00 H new ATOM 0 HD13 ILE A 128 56.316 10.746 -9.264 1.00 0.00 H new ATOM 598 N THR A 129 58.461 8.785 -12.075 1.00 0.00 N ATOM 599 CA THR A 129 59.404 8.282 -13.070 1.00 0.00 C ATOM 600 C THR A 129 60.010 6.960 -12.610 1.00 0.00 C ATOM 601 O THR A 129 60.295 6.768 -11.428 1.00 0.00 O ATOM 602 CB THR A 129 60.530 9.293 -13.303 1.00 0.00 C ATOM 603 OG1 THR A 129 61.296 8.894 -14.430 1.00 0.00 O ATOM 604 CG2 THR A 129 61.429 9.353 -12.067 1.00 0.00 C ATOM 0 H THR A 129 58.824 9.532 -11.482 1.00 0.00 H new ATOM 0 HA THR A 129 58.858 8.127 -14.001 1.00 0.00 H new ATOM 0 HB THR A 129 60.102 10.279 -13.485 1.00 0.00 H new ATOM 0 HG1 THR A 129 62.016 9.541 -14.582 1.00 0.00 H new ATOM 0 HG21 THR A 129 62.230 10.073 -12.234 1.00 0.00 H new ATOM 0 HG22 THR A 129 60.840 9.660 -11.203 1.00 0.00 H new ATOM 0 HG23 THR A 129 61.859 8.369 -11.882 1.00 0.00 H new ATOM 612 N GLU A 130 60.203 6.050 -13.561 1.00 0.00 N ATOM 613 CA GLU A 130 60.776 4.743 -13.247 1.00 0.00 C ATOM 614 C GLU A 130 62.072 4.903 -12.458 1.00 0.00 C ATOM 615 O GLU A 130 62.491 3.999 -11.736 1.00 0.00 O ATOM 616 CB GLU A 130 61.069 3.964 -14.532 1.00 0.00 C ATOM 617 CG GLU A 130 60.391 2.594 -14.465 1.00 0.00 C ATOM 618 CD GLU A 130 59.926 2.186 -15.859 1.00 0.00 C ATOM 619 OE1 GLU A 130 60.771 2.050 -16.728 1.00 0.00 O ATOM 620 OE2 GLU A 130 58.731 2.016 -16.036 1.00 0.00 O ATOM 0 H GLU A 130 59.974 6.190 -14.545 1.00 0.00 H new ATOM 0 HA GLU A 130 60.050 4.194 -12.646 1.00 0.00 H new ATOM 0 HB2 GLU A 130 60.706 4.519 -15.397 1.00 0.00 H new ATOM 0 HB3 GLU A 130 62.145 3.843 -14.659 1.00 0.00 H new ATOM 0 HG2 GLU A 130 61.085 1.852 -14.070 1.00 0.00 H new ATOM 0 HG3 GLU A 130 59.541 2.630 -13.783 1.00 0.00 H new ATOM 627 N ASP A 131 62.703 6.065 -12.607 1.00 0.00 N ATOM 628 CA ASP A 131 63.955 6.338 -11.906 1.00 0.00 C ATOM 629 C ASP A 131 63.768 6.195 -10.398 1.00 0.00 C ATOM 630 O ASP A 131 64.663 5.738 -9.687 1.00 0.00 O ATOM 631 CB ASP A 131 64.442 7.755 -12.214 1.00 0.00 C ATOM 632 CG ASP A 131 65.724 7.687 -13.037 1.00 0.00 C ATOM 633 OD1 ASP A 131 65.687 7.103 -14.108 1.00 0.00 O ATOM 634 OD2 ASP A 131 66.723 8.221 -12.586 1.00 0.00 O ATOM 0 H ASP A 131 62.372 6.826 -13.201 1.00 0.00 H new ATOM 0 HA ASP A 131 64.695 5.615 -12.249 1.00 0.00 H new ATOM 0 HB2 ASP A 131 63.675 8.303 -12.761 1.00 0.00 H new ATOM 0 HB3 ASP A 131 64.622 8.298 -11.286 1.00 0.00 H new ATOM 639 N ASP A 132 62.593 6.594 -9.918 1.00 0.00 N ATOM 640 CA ASP A 132 62.295 6.511 -8.491 1.00 0.00 C ATOM 641 C ASP A 132 62.275 5.058 -8.029 1.00 0.00 C ATOM 642 O ASP A 132 63.056 4.654 -7.168 1.00 0.00 O ATOM 643 CB ASP A 132 60.937 7.149 -8.191 1.00 0.00 C ATOM 644 CG ASP A 132 61.128 8.341 -7.260 1.00 0.00 C ATOM 645 OD1 ASP A 132 61.940 8.237 -6.356 1.00 0.00 O ATOM 646 OD2 ASP A 132 60.460 9.342 -7.465 1.00 0.00 O ATOM 0 H ASP A 132 61.839 6.974 -10.489 1.00 0.00 H new ATOM 0 HA ASP A 132 63.077 7.049 -7.954 1.00 0.00 H new ATOM 0 HB2 ASP A 132 60.462 7.471 -9.118 1.00 0.00 H new ATOM 0 HB3 ASP A 132 60.274 6.417 -7.730 1.00 0.00 H new ATOM 651 N ILE A 133 61.369 4.277 -8.609 1.00 0.00 N ATOM 652 CA ILE A 133 61.247 2.867 -8.247 1.00 0.00 C ATOM 653 C ILE A 133 62.616 2.196 -8.224 1.00 0.00 C ATOM 654 O ILE A 133 62.929 1.426 -7.317 1.00 0.00 O ATOM 655 CB ILE A 133 60.351 2.134 -9.246 1.00 0.00 C ATOM 656 CG1 ILE A 133 58.989 2.827 -9.310 1.00 0.00 C ATOM 657 CG2 ILE A 133 60.164 0.684 -8.795 1.00 0.00 C ATOM 658 CD1 ILE A 133 58.481 2.822 -10.752 1.00 0.00 C ATOM 0 H ILE A 133 60.714 4.591 -9.325 1.00 0.00 H new ATOM 0 HA ILE A 133 60.803 2.816 -7.253 1.00 0.00 H new ATOM 0 HB ILE A 133 60.815 2.151 -10.232 1.00 0.00 H new ATOM 0 HG12 ILE A 133 58.278 2.316 -8.661 1.00 0.00 H new ATOM 0 HG13 ILE A 133 59.073 3.851 -8.946 1.00 0.00 H new ATOM 0 HG21 ILE A 133 59.525 0.161 -9.507 1.00 0.00 H new ATOM 0 HG22 ILE A 133 61.134 0.190 -8.747 1.00 0.00 H new ATOM 0 HG23 ILE A 133 59.699 0.667 -7.809 1.00 0.00 H new ATOM 0 HD11 ILE A 133 57.510 3.316 -10.798 1.00 0.00 H new ATOM 0 HD12 ILE A 133 59.189 3.353 -11.389 1.00 0.00 H new ATOM 0 HD13 ILE A 133 58.381 1.794 -11.099 1.00 0.00 H new ATOM 670 N GLU A 134 63.429 2.492 -9.234 1.00 0.00 N ATOM 671 CA GLU A 134 64.764 1.906 -9.320 1.00 0.00 C ATOM 672 C GLU A 134 65.683 2.503 -8.258 1.00 0.00 C ATOM 673 O GLU A 134 66.128 1.813 -7.341 1.00 0.00 O ATOM 674 CB GLU A 134 65.374 2.157 -10.701 1.00 0.00 C ATOM 675 CG GLU A 134 64.791 1.163 -11.707 1.00 0.00 C ATOM 676 CD GLU A 134 65.271 -0.244 -11.370 1.00 0.00 C ATOM 677 OE1 GLU A 134 66.228 -0.360 -10.623 1.00 0.00 O ATOM 678 OE2 GLU A 134 64.674 -1.187 -11.865 1.00 0.00 O ATOM 0 H GLU A 134 63.191 3.127 -9.996 1.00 0.00 H new ATOM 0 HA GLU A 134 64.667 0.833 -9.154 1.00 0.00 H new ATOM 0 HB2 GLU A 134 65.167 3.178 -11.021 1.00 0.00 H new ATOM 0 HB3 GLU A 134 66.458 2.051 -10.656 1.00 0.00 H new ATOM 0 HG2 GLU A 134 63.702 1.202 -11.683 1.00 0.00 H new ATOM 0 HG3 GLU A 134 65.098 1.431 -12.718 1.00 0.00 H new ATOM 685 N GLU A 135 65.967 3.794 -8.399 1.00 0.00 N ATOM 686 CA GLU A 135 66.842 4.484 -7.453 1.00 0.00 C ATOM 687 C GLU A 135 66.315 4.350 -6.027 1.00 0.00 C ATOM 688 O GLU A 135 66.986 3.802 -5.152 1.00 0.00 O ATOM 689 CB GLU A 135 66.944 5.968 -7.808 1.00 0.00 C ATOM 690 CG GLU A 135 67.837 6.679 -6.790 1.00 0.00 C ATOM 691 CD GLU A 135 68.706 7.707 -7.505 1.00 0.00 C ATOM 692 OE1 GLU A 135 68.786 7.643 -8.721 1.00 0.00 O ATOM 693 OE2 GLU A 135 69.279 8.544 -6.827 1.00 0.00 O ATOM 0 H GLU A 135 65.608 4.381 -9.152 1.00 0.00 H new ATOM 0 HA GLU A 135 67.828 4.023 -7.515 1.00 0.00 H new ATOM 0 HB2 GLU A 135 67.354 6.085 -8.811 1.00 0.00 H new ATOM 0 HB3 GLU A 135 65.952 6.420 -7.815 1.00 0.00 H new ATOM 0 HG2 GLU A 135 67.225 7.169 -6.033 1.00 0.00 H new ATOM 0 HG3 GLU A 135 68.465 5.954 -6.272 1.00 0.00 H new ATOM 700 N LEU A 136 65.109 4.862 -5.800 1.00 0.00 N ATOM 701 CA LEU A 136 64.504 4.801 -4.471 1.00 0.00 C ATOM 702 C LEU A 136 64.723 3.427 -3.842 1.00 0.00 C ATOM 703 O LEU A 136 64.854 3.301 -2.625 1.00 0.00 O ATOM 704 CB LEU A 136 63.001 5.080 -4.551 1.00 0.00 C ATOM 705 CG LEU A 136 62.534 5.747 -3.255 1.00 0.00 C ATOM 706 CD1 LEU A 136 61.198 6.451 -3.496 1.00 0.00 C ATOM 707 CD2 LEU A 136 62.358 4.685 -2.168 1.00 0.00 C ATOM 0 H LEU A 136 64.536 5.319 -6.509 1.00 0.00 H new ATOM 0 HA LEU A 136 64.981 5.561 -3.853 1.00 0.00 H new ATOM 0 HB2 LEU A 136 62.785 5.725 -5.402 1.00 0.00 H new ATOM 0 HB3 LEU A 136 62.456 4.150 -4.710 1.00 0.00 H new ATOM 0 HG LEU A 136 63.278 6.476 -2.935 1.00 0.00 H new ATOM 0 HD11 LEU A 136 60.865 6.926 -2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 136 61.320 7.208 -4.270 1.00 0.00 H new ATOM 0 HD13 LEU A 136 60.455 5.721 -3.817 1.00 0.00 H new ATOM 0 HD21 LEU A 136 62.025 5.160 -1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 136 61.614 3.956 -2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 136 63.309 4.181 -1.994 1.00 0.00 H new ATOM 719 N MET A 137 64.763 2.398 -4.684 1.00 0.00 N ATOM 720 CA MET A 137 64.967 1.037 -4.192 1.00 0.00 C ATOM 721 C MET A 137 66.445 0.783 -3.914 1.00 0.00 C ATOM 722 O MET A 137 66.801 0.016 -3.020 1.00 0.00 O ATOM 723 CB MET A 137 64.471 0.014 -5.215 1.00 0.00 C ATOM 724 CG MET A 137 64.288 -1.342 -4.532 1.00 0.00 C ATOM 725 SD MET A 137 64.741 -2.664 -5.682 1.00 0.00 S ATOM 726 CE MET A 137 63.802 -3.989 -4.884 1.00 0.00 C ATOM 0 H MET A 137 64.659 2.477 -5.696 1.00 0.00 H new ATOM 0 HA MET A 137 64.400 0.929 -3.267 1.00 0.00 H new ATOM 0 HB2 MET A 137 63.527 0.345 -5.648 1.00 0.00 H new ATOM 0 HB3 MET A 137 65.185 -0.073 -6.034 1.00 0.00 H new ATOM 0 HG2 MET A 137 64.907 -1.397 -3.637 1.00 0.00 H new ATOM 0 HG3 MET A 137 63.253 -1.463 -4.212 1.00 0.00 H new ATOM 0 HE1 MET A 137 63.610 -4.784 -5.605 1.00 0.00 H new ATOM 0 HE2 MET A 137 64.375 -4.388 -4.047 1.00 0.00 H new ATOM 0 HE3 MET A 137 62.854 -3.594 -4.519 1.00 0.00 H new ATOM 736 N LYS A 138 67.303 1.434 -4.694 1.00 0.00 N ATOM 737 CA LYS A 138 68.745 1.271 -4.526 1.00 0.00 C ATOM 738 C LYS A 138 69.163 1.631 -3.104 1.00 0.00 C ATOM 739 O LYS A 138 69.976 0.943 -2.487 1.00 0.00 O ATOM 740 CB LYS A 138 69.501 2.164 -5.511 1.00 0.00 C ATOM 741 CG LYS A 138 69.614 1.451 -6.859 1.00 0.00 C ATOM 742 CD LYS A 138 71.082 1.131 -7.146 1.00 0.00 C ATOM 743 CE LYS A 138 71.167 0.028 -8.203 1.00 0.00 C ATOM 744 NZ LYS A 138 70.936 -1.297 -7.560 1.00 0.00 N ATOM 0 H LYS A 138 67.030 2.073 -5.441 1.00 0.00 H new ATOM 0 HA LYS A 138 68.990 0.227 -4.720 1.00 0.00 H new ATOM 0 HB2 LYS A 138 68.980 3.114 -5.632 1.00 0.00 H new ATOM 0 HB3 LYS A 138 70.494 2.393 -5.124 1.00 0.00 H new ATOM 0 HG2 LYS A 138 69.026 0.533 -6.847 1.00 0.00 H new ATOM 0 HG3 LYS A 138 69.207 2.080 -7.650 1.00 0.00 H new ATOM 0 HD2 LYS A 138 71.598 2.025 -7.496 1.00 0.00 H new ATOM 0 HD3 LYS A 138 71.581 0.812 -6.231 1.00 0.00 H new ATOM 0 HE2 LYS A 138 70.425 0.200 -8.983 1.00 0.00 H new ATOM 0 HE3 LYS A 138 72.145 0.045 -8.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 71.631 -1.983 -7.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 71.040 -1.206 -6.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 69.976 -1.628 -7.783 1.00 0.00 H new ATOM 758 N ASP A 139 68.598 2.720 -2.591 1.00 0.00 N ATOM 759 CA ASP A 139 68.919 3.168 -1.238 1.00 0.00 C ATOM 760 C ASP A 139 68.005 2.491 -0.221 1.00 0.00 C ATOM 761 O ASP A 139 68.272 2.506 0.981 1.00 0.00 O ATOM 762 CB ASP A 139 68.752 4.685 -1.125 1.00 0.00 C ATOM 763 CG ASP A 139 70.114 5.334 -0.898 1.00 0.00 C ATOM 764 OD1 ASP A 139 71.111 4.657 -1.090 1.00 0.00 O ATOM 765 OD2 ASP A 139 70.140 6.498 -0.536 1.00 0.00 O ATOM 0 H ASP A 139 67.923 3.304 -3.085 1.00 0.00 H new ATOM 0 HA ASP A 139 69.955 2.899 -1.031 1.00 0.00 H new ATOM 0 HB2 ASP A 139 68.297 5.080 -2.033 1.00 0.00 H new ATOM 0 HB3 ASP A 139 68.081 4.927 -0.301 1.00 0.00 H new ATOM 770 N GLY A 140 66.922 1.900 -0.717 1.00 0.00 N ATOM 771 CA GLY A 140 65.970 1.221 0.157 1.00 0.00 C ATOM 772 C GLY A 140 66.401 -0.218 0.423 1.00 0.00 C ATOM 773 O GLY A 140 65.936 -0.855 1.368 1.00 0.00 O ATOM 0 H GLY A 140 66.683 1.877 -1.708 1.00 0.00 H new ATOM 0 HA2 GLY A 140 65.889 1.760 1.101 1.00 0.00 H new ATOM 0 HA3 GLY A 140 64.981 1.229 -0.301 1.00 0.00 H new ATOM 777 N ASP A 141 67.296 -0.723 -0.422 1.00 0.00 N ATOM 778 CA ASP A 141 67.783 -2.092 -0.268 1.00 0.00 C ATOM 779 C ASP A 141 69.180 -2.093 0.342 1.00 0.00 C ATOM 780 O ASP A 141 70.100 -2.726 -0.175 1.00 0.00 O ATOM 781 CB ASP A 141 67.832 -2.803 -1.622 1.00 0.00 C ATOM 782 CG ASP A 141 67.563 -4.290 -1.423 1.00 0.00 C ATOM 783 OD1 ASP A 141 67.154 -4.657 -0.333 1.00 0.00 O ATOM 784 OD2 ASP A 141 67.770 -5.040 -2.362 1.00 0.00 O ATOM 0 H ASP A 141 67.695 -0.213 -1.211 1.00 0.00 H new ATOM 0 HA ASP A 141 67.095 -2.620 0.392 1.00 0.00 H new ATOM 0 HB2 ASP A 141 67.091 -2.375 -2.297 1.00 0.00 H new ATOM 0 HB3 ASP A 141 68.807 -2.658 -2.086 1.00 0.00 H new ATOM 789 N LYS A 142 69.326 -1.373 1.449 1.00 0.00 N ATOM 790 CA LYS A 142 70.614 -1.290 2.130 1.00 0.00 C ATOM 791 C LYS A 142 71.283 -2.660 2.186 1.00 0.00 C ATOM 792 O LYS A 142 72.483 -2.790 1.947 1.00 0.00 O ATOM 793 CB LYS A 142 70.431 -0.765 3.555 1.00 0.00 C ATOM 794 CG LYS A 142 69.835 0.643 3.505 1.00 0.00 C ATOM 795 CD LYS A 142 70.946 1.676 3.700 1.00 0.00 C ATOM 796 CE LYS A 142 71.481 2.115 2.335 1.00 0.00 C ATOM 797 NZ LYS A 142 70.971 3.480 2.017 1.00 0.00 N ATOM 0 H LYS A 142 68.576 -0.842 1.891 1.00 0.00 H new ATOM 0 HA LYS A 142 71.247 -0.604 1.567 1.00 0.00 H new ATOM 0 HB2 LYS A 142 69.775 -1.430 4.118 1.00 0.00 H new ATOM 0 HB3 LYS A 142 71.389 -0.748 4.074 1.00 0.00 H new ATOM 0 HG2 LYS A 142 69.338 0.805 2.549 1.00 0.00 H new ATOM 0 HG3 LYS A 142 69.078 0.757 4.281 1.00 0.00 H new ATOM 0 HD2 LYS A 142 70.564 2.538 4.247 1.00 0.00 H new ATOM 0 HD3 LYS A 142 71.752 1.251 4.298 1.00 0.00 H new ATOM 0 HE2 LYS A 142 72.571 2.115 2.342 1.00 0.00 H new ATOM 0 HE3 LYS A 142 71.167 1.410 1.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 71.584 3.922 1.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 70.001 3.411 1.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 70.972 4.061 2.880 1.00 0.00 H new ATOM 811 N ASN A 143 70.494 -3.682 2.507 1.00 0.00 N ATOM 812 CA ASN A 143 71.025 -5.041 2.593 1.00 0.00 C ATOM 813 C ASN A 143 71.352 -5.579 1.203 1.00 0.00 C ATOM 814 O ASN A 143 72.222 -6.434 1.043 1.00 0.00 O ATOM 815 CB ASN A 143 70.013 -5.973 3.263 1.00 0.00 C ATOM 816 CG ASN A 143 68.821 -6.185 2.336 1.00 0.00 C ATOM 817 OD1 ASN A 143 68.984 -6.570 1.178 1.00 0.00 O ATOM 818 ND2 ASN A 143 67.617 -5.960 2.783 1.00 0.00 N ATOM 0 H ASN A 143 69.498 -3.599 2.710 1.00 0.00 H new ATOM 0 HA ASN A 143 71.936 -5.005 3.191 1.00 0.00 H new ATOM 0 HB2 ASN A 143 70.482 -6.930 3.494 1.00 0.00 H new ATOM 0 HB3 ASN A 143 69.680 -5.545 4.208 1.00 0.00 H new ATOM 0 HD21 ASN A 143 66.812 -6.103 2.174 1.00 0.00 H new ATOM 0 HD22 ASN A 143 67.480 -5.641 3.742 1.00 0.00 H new ATOM 825 N ASN A 144 70.642 -5.069 0.201 1.00 0.00 N ATOM 826 CA ASN A 144 70.863 -5.508 -1.175 1.00 0.00 C ATOM 827 C ASN A 144 70.498 -6.981 -1.328 1.00 0.00 C ATOM 828 O ASN A 144 71.362 -7.833 -1.538 1.00 0.00 O ATOM 829 CB ASN A 144 72.328 -5.311 -1.573 1.00 0.00 C ATOM 830 CG ASN A 144 72.524 -5.729 -3.025 1.00 0.00 C ATOM 831 OD1 ASN A 144 71.571 -6.114 -3.703 1.00 0.00 O ATOM 832 ND2 ASN A 144 73.718 -5.676 -3.550 1.00 0.00 N ATOM 0 H ASN A 144 69.917 -4.360 0.312 1.00 0.00 H new ATOM 0 HA ASN A 144 70.228 -4.907 -1.826 1.00 0.00 H new ATOM 0 HB2 ASN A 144 72.613 -4.267 -1.443 1.00 0.00 H new ATOM 0 HB3 ASN A 144 72.974 -5.902 -0.924 1.00 0.00 H new ATOM 0 HD21 ASN A 144 73.861 -5.953 -4.521 1.00 0.00 H new ATOM 0 HD22 ASN A 144 74.508 -5.357 -2.989 1.00 0.00 H new ATOM 839 N ASP A 145 69.204 -7.270 -1.217 1.00 0.00 N ATOM 840 CA ASP A 145 68.724 -8.644 -1.340 1.00 0.00 C ATOM 841 C ASP A 145 67.783 -8.777 -2.534 1.00 0.00 C ATOM 842 O ASP A 145 67.589 -9.868 -3.071 1.00 0.00 O ATOM 843 CB ASP A 145 67.977 -9.064 -0.072 1.00 0.00 C ATOM 844 CG ASP A 145 67.462 -10.490 -0.233 1.00 0.00 C ATOM 845 OD1 ASP A 145 68.283 -11.384 -0.356 1.00 0.00 O ATOM 846 OD2 ASP A 145 66.255 -10.667 -0.230 1.00 0.00 O ATOM 0 H ASP A 145 68.475 -6.578 -1.044 1.00 0.00 H new ATOM 0 HA ASP A 145 69.590 -9.290 -1.485 1.00 0.00 H new ATOM 0 HB2 ASP A 145 68.640 -9.001 0.791 1.00 0.00 H new ATOM 0 HB3 ASP A 145 67.145 -8.385 0.115 1.00 0.00 H new ATOM 851 N GLY A 146 67.197 -7.654 -2.939 1.00 0.00 N ATOM 852 CA GLY A 146 66.271 -7.652 -4.069 1.00 0.00 C ATOM 853 C GLY A 146 64.900 -7.134 -3.644 1.00 0.00 C ATOM 854 O GLY A 146 64.011 -6.937 -4.473 1.00 0.00 O ATOM 0 H GLY A 146 67.344 -6.742 -2.507 1.00 0.00 H new ATOM 0 HA2 GLY A 146 66.668 -7.028 -4.870 1.00 0.00 H new ATOM 0 HA3 GLY A 146 66.176 -8.662 -4.469 1.00 0.00 H new ATOM 858 N ARG A 147 64.737 -6.916 -2.340 1.00 0.00 N ATOM 859 CA ARG A 147 63.469 -6.419 -1.813 1.00 0.00 C ATOM 860 C ARG A 147 63.709 -5.523 -0.603 1.00 0.00 C ATOM 861 O ARG A 147 64.804 -4.993 -0.411 1.00 0.00 O ATOM 862 CB ARG A 147 62.568 -7.582 -1.394 1.00 0.00 C ATOM 863 CG ARG A 147 62.806 -8.778 -2.317 1.00 0.00 C ATOM 864 CD ARG A 147 61.703 -9.815 -2.096 1.00 0.00 C ATOM 865 NE ARG A 147 61.195 -10.310 -3.373 1.00 0.00 N ATOM 866 CZ ARG A 147 61.933 -11.106 -4.140 1.00 0.00 C ATOM 867 NH1 ARG A 147 63.133 -11.451 -3.758 1.00 0.00 N ATOM 868 NH2 ARG A 147 61.460 -11.541 -5.276 1.00 0.00 N ATOM 0 H ARG A 147 65.459 -7.074 -1.637 1.00 0.00 H new ATOM 0 HA ARG A 147 62.981 -5.846 -2.602 1.00 0.00 H new ATOM 0 HB2 ARG A 147 62.775 -7.861 -0.361 1.00 0.00 H new ATOM 0 HB3 ARG A 147 61.522 -7.279 -1.439 1.00 0.00 H new ATOM 0 HG2 ARG A 147 62.812 -8.453 -3.357 1.00 0.00 H new ATOM 0 HG3 ARG A 147 63.782 -9.219 -2.115 1.00 0.00 H new ATOM 0 HD2 ARG A 147 62.091 -10.646 -1.507 1.00 0.00 H new ATOM 0 HD3 ARG A 147 60.889 -9.371 -1.523 1.00 0.00 H new ATOM 0 HE ARG A 147 60.260 -10.041 -3.681 1.00 0.00 H new ATOM 0 HH11 ARG A 147 63.504 -11.110 -2.871 1.00 0.00 H new ATOM 0 HH12 ARG A 147 63.700 -12.062 -4.346 1.00 0.00 H new ATOM 0 HH21 ARG A 147 60.523 -11.270 -5.576 1.00 0.00 H new ATOM 0 HH22 ARG A 147 62.027 -12.152 -5.864 1.00 0.00 H new ATOM 882 N ILE A 148 62.671 -5.365 0.213 1.00 0.00 N ATOM 883 CA ILE A 148 62.772 -4.534 1.409 1.00 0.00 C ATOM 884 C ILE A 148 62.558 -5.378 2.661 1.00 0.00 C ATOM 885 O ILE A 148 61.796 -6.344 2.653 1.00 0.00 O ATOM 886 CB ILE A 148 61.727 -3.418 1.379 1.00 0.00 C ATOM 887 CG1 ILE A 148 61.674 -2.804 -0.023 1.00 0.00 C ATOM 888 CG2 ILE A 148 62.102 -2.339 2.397 1.00 0.00 C ATOM 889 CD1 ILE A 148 62.925 -1.955 -0.261 1.00 0.00 C ATOM 0 H ILE A 148 61.758 -5.797 0.070 1.00 0.00 H new ATOM 0 HA ILE A 148 63.770 -4.095 1.429 1.00 0.00 H new ATOM 0 HB ILE A 148 60.750 -3.829 1.631 1.00 0.00 H new ATOM 0 HG12 ILE A 148 61.609 -3.592 -0.773 1.00 0.00 H new ATOM 0 HG13 ILE A 148 60.780 -2.189 -0.128 1.00 0.00 H new ATOM 0 HG21 ILE A 148 61.357 -1.544 2.375 1.00 0.00 H new ATOM 0 HG22 ILE A 148 62.137 -2.776 3.395 1.00 0.00 H new ATOM 0 HG23 ILE A 148 63.080 -1.927 2.147 1.00 0.00 H new ATOM 0 HD11 ILE A 148 62.885 -1.519 -1.259 1.00 0.00 H new ATOM 0 HD12 ILE A 148 62.970 -1.158 0.481 1.00 0.00 H new ATOM 0 HD13 ILE A 148 63.812 -2.582 -0.174 1.00 0.00 H new ATOM 901 N ASP A 149 63.239 -5.001 3.740 1.00 0.00 N ATOM 902 CA ASP A 149 63.115 -5.730 5.000 1.00 0.00 C ATOM 903 C ASP A 149 62.513 -4.832 6.076 1.00 0.00 C ATOM 904 O ASP A 149 62.212 -3.664 5.833 1.00 0.00 O ATOM 905 CB ASP A 149 64.484 -6.226 5.469 1.00 0.00 C ATOM 906 CG ASP A 149 65.197 -6.915 4.311 1.00 0.00 C ATOM 907 OD1 ASP A 149 65.259 -6.325 3.245 1.00 0.00 O ATOM 908 OD2 ASP A 149 65.670 -8.022 4.507 1.00 0.00 O ATOM 0 H ASP A 149 63.875 -4.204 3.769 1.00 0.00 H new ATOM 0 HA ASP A 149 62.460 -6.585 4.833 1.00 0.00 H new ATOM 0 HB2 ASP A 149 65.081 -5.390 5.832 1.00 0.00 H new ATOM 0 HB3 ASP A 149 64.366 -6.919 6.302 1.00 0.00 H new ATOM 913 N TYR A 150 62.337 -5.394 7.269 1.00 0.00 N ATOM 914 CA TYR A 150 61.764 -4.639 8.381 1.00 0.00 C ATOM 915 C TYR A 150 62.783 -3.652 8.942 1.00 0.00 C ATOM 916 O TYR A 150 62.421 -2.641 9.545 1.00 0.00 O ATOM 917 CB TYR A 150 61.321 -5.584 9.499 1.00 0.00 C ATOM 918 CG TYR A 150 60.328 -4.877 10.390 1.00 0.00 C ATOM 919 CD1 TYR A 150 59.018 -4.663 9.946 1.00 0.00 C ATOM 920 CD2 TYR A 150 60.717 -4.437 11.661 1.00 0.00 C ATOM 921 CE1 TYR A 150 58.097 -4.008 10.773 1.00 0.00 C ATOM 922 CE2 TYR A 150 59.796 -3.782 12.488 1.00 0.00 C ATOM 923 CZ TYR A 150 58.485 -3.568 12.044 1.00 0.00 C ATOM 924 OH TYR A 150 57.577 -2.924 12.859 1.00 0.00 O ATOM 0 H TYR A 150 62.580 -6.360 7.490 1.00 0.00 H new ATOM 0 HA TYR A 150 60.900 -4.092 8.002 1.00 0.00 H new ATOM 0 HB2 TYR A 150 60.871 -6.481 9.074 1.00 0.00 H new ATOM 0 HB3 TYR A 150 62.184 -5.906 10.082 1.00 0.00 H new ATOM 0 HD1 TYR A 150 58.718 -5.003 8.966 1.00 0.00 H new ATOM 0 HD2 TYR A 150 61.728 -4.603 12.004 1.00 0.00 H new ATOM 0 HE1 TYR A 150 57.086 -3.842 10.430 1.00 0.00 H new ATOM 0 HE2 TYR A 150 60.097 -3.442 13.468 1.00 0.00 H new ATOM 0 HH TYR A 150 58.009 -2.686 13.706 1.00 0.00 H new ATOM 934 N ASP A 151 64.061 -3.957 8.742 1.00 0.00 N ATOM 935 CA ASP A 151 65.127 -3.090 9.237 1.00 0.00 C ATOM 936 C ASP A 151 65.271 -1.859 8.348 1.00 0.00 C ATOM 937 O ASP A 151 65.397 -0.736 8.835 1.00 0.00 O ATOM 938 CB ASP A 151 66.459 -3.841 9.268 1.00 0.00 C ATOM 939 CG ASP A 151 67.488 -3.019 10.037 1.00 0.00 C ATOM 940 OD1 ASP A 151 67.108 -2.392 11.012 1.00 0.00 O ATOM 941 OD2 ASP A 151 68.642 -3.029 9.639 1.00 0.00 O ATOM 0 H ASP A 151 64.383 -4.788 8.246 1.00 0.00 H new ATOM 0 HA ASP A 151 64.863 -2.779 10.248 1.00 0.00 H new ATOM 0 HB2 ASP A 151 66.329 -4.815 9.740 1.00 0.00 H new ATOM 0 HB3 ASP A 151 66.809 -4.024 8.252 1.00 0.00 H new ATOM 946 N GLU A 152 65.250 -2.084 7.038 1.00 0.00 N ATOM 947 CA GLU A 152 65.379 -0.989 6.086 1.00 0.00 C ATOM 948 C GLU A 152 64.051 -0.252 5.944 1.00 0.00 C ATOM 949 O GLU A 152 64.012 0.971 5.820 1.00 0.00 O ATOM 950 CB GLU A 152 65.800 -1.523 4.718 1.00 0.00 C ATOM 951 CG GLU A 152 67.248 -2.012 4.782 1.00 0.00 C ATOM 952 CD GLU A 152 67.354 -3.369 4.099 1.00 0.00 C ATOM 953 OE1 GLU A 152 66.816 -4.324 4.635 1.00 0.00 O ATOM 954 OE2 GLU A 152 67.971 -3.435 3.048 1.00 0.00 O ATOM 0 H GLU A 152 65.146 -3.006 6.615 1.00 0.00 H new ATOM 0 HA GLU A 152 66.139 -0.302 6.458 1.00 0.00 H new ATOM 0 HB2 GLU A 152 65.143 -2.339 4.417 1.00 0.00 H new ATOM 0 HB3 GLU A 152 65.703 -0.741 3.965 1.00 0.00 H new ATOM 0 HG2 GLU A 152 67.908 -1.294 4.294 1.00 0.00 H new ATOM 0 HG3 GLU A 152 67.572 -2.089 5.820 1.00 0.00 H new ATOM 961 N PHE A 153 62.963 -1.016 5.960 1.00 0.00 N ATOM 962 CA PHE A 153 61.630 -0.433 5.829 1.00 0.00 C ATOM 963 C PHE A 153 61.314 0.463 7.023 1.00 0.00 C ATOM 964 O PHE A 153 60.466 1.352 6.943 1.00 0.00 O ATOM 965 CB PHE A 153 60.574 -1.537 5.742 1.00 0.00 C ATOM 966 CG PHE A 153 59.239 -0.935 5.375 1.00 0.00 C ATOM 967 CD1 PHE A 153 58.473 -0.280 6.347 1.00 0.00 C ATOM 968 CD2 PHE A 153 58.763 -1.037 4.062 1.00 0.00 C ATOM 969 CE1 PHE A 153 57.233 0.274 6.007 1.00 0.00 C ATOM 970 CE2 PHE A 153 57.524 -0.483 3.721 1.00 0.00 C ATOM 971 CZ PHE A 153 56.759 0.172 4.693 1.00 0.00 C ATOM 0 H PHE A 153 62.976 -2.031 6.061 1.00 0.00 H new ATOM 0 HA PHE A 153 61.613 0.164 4.917 1.00 0.00 H new ATOM 0 HB2 PHE A 153 60.868 -2.277 4.997 1.00 0.00 H new ATOM 0 HB3 PHE A 153 60.499 -2.058 6.696 1.00 0.00 H new ATOM 0 HD1 PHE A 153 58.839 -0.202 7.360 1.00 0.00 H new ATOM 0 HD2 PHE A 153 59.352 -1.544 3.312 1.00 0.00 H new ATOM 0 HE1 PHE A 153 56.643 0.779 6.757 1.00 0.00 H new ATOM 0 HE2 PHE A 153 57.158 -0.561 2.708 1.00 0.00 H new ATOM 0 HZ PHE A 153 55.803 0.599 4.430 1.00 0.00 H new ATOM 981 N LEU A 154 62.001 0.217 8.134 1.00 0.00 N ATOM 982 CA LEU A 154 61.780 1.007 9.342 1.00 0.00 C ATOM 983 C LEU A 154 62.382 2.400 9.193 1.00 0.00 C ATOM 984 O LEU A 154 61.688 3.407 9.325 1.00 0.00 O ATOM 985 CB LEU A 154 62.408 0.319 10.556 1.00 0.00 C ATOM 986 CG LEU A 154 61.317 -0.398 11.352 1.00 0.00 C ATOM 987 CD1 LEU A 154 61.961 -1.322 12.386 1.00 0.00 C ATOM 988 CD2 LEU A 154 60.445 0.637 12.069 1.00 0.00 C ATOM 0 H LEU A 154 62.707 -0.513 8.224 1.00 0.00 H new ATOM 0 HA LEU A 154 60.704 1.094 9.490 1.00 0.00 H new ATOM 0 HB2 LEU A 154 63.166 -0.394 10.232 1.00 0.00 H new ATOM 0 HB3 LEU A 154 62.910 1.054 11.185 1.00 0.00 H new ATOM 0 HG LEU A 154 60.701 -0.987 10.672 1.00 0.00 H new ATOM 0 HD11 LEU A 154 61.182 -1.832 12.953 1.00 0.00 H new ATOM 0 HD12 LEU A 154 62.583 -2.059 11.878 1.00 0.00 H new ATOM 0 HD13 LEU A 154 62.578 -0.734 13.065 1.00 0.00 H new ATOM 0 HD21 LEU A 154 59.667 0.127 12.637 1.00 0.00 H new ATOM 0 HD22 LEU A 154 61.062 1.226 12.748 1.00 0.00 H new ATOM 0 HD23 LEU A 154 59.984 1.297 11.334 1.00 0.00 H new ATOM 1000 N GLU A 155 63.682 2.447 8.920 1.00 0.00 N ATOM 1001 CA GLU A 155 64.367 3.726 8.759 1.00 0.00 C ATOM 1002 C GLU A 155 63.823 4.476 7.545 1.00 0.00 C ATOM 1003 O GLU A 155 63.788 5.706 7.523 1.00 0.00 O ATOM 1004 CB GLU A 155 65.872 3.511 8.583 1.00 0.00 C ATOM 1005 CG GLU A 155 66.113 2.448 7.510 1.00 0.00 C ATOM 1006 CD GLU A 155 66.753 3.091 6.284 1.00 0.00 C ATOM 1007 OE1 GLU A 155 66.842 4.307 6.254 1.00 0.00 O ATOM 1008 OE2 GLU A 155 67.144 2.356 5.392 1.00 0.00 O ATOM 0 H GLU A 155 64.277 1.626 8.807 1.00 0.00 H new ATOM 0 HA GLU A 155 64.190 4.317 9.658 1.00 0.00 H new ATOM 0 HB2 GLU A 155 66.353 4.447 8.298 1.00 0.00 H new ATOM 0 HB3 GLU A 155 66.318 3.198 9.527 1.00 0.00 H new ATOM 0 HG2 GLU A 155 66.761 1.663 7.901 1.00 0.00 H new ATOM 0 HG3 GLU A 155 65.170 1.975 7.234 1.00 0.00 H new ATOM 1015 N PHE A 156 63.399 3.720 6.535 1.00 0.00 N ATOM 1016 CA PHE A 156 62.858 4.324 5.319 1.00 0.00 C ATOM 1017 C PHE A 156 61.398 4.724 5.522 1.00 0.00 C ATOM 1018 O PHE A 156 60.908 5.671 4.908 1.00 0.00 O ATOM 1019 CB PHE A 156 62.945 3.344 4.147 1.00 0.00 C ATOM 1020 CG PHE A 156 63.629 4.011 2.978 1.00 0.00 C ATOM 1021 CD1 PHE A 156 63.078 5.165 2.409 1.00 0.00 C ATOM 1022 CD2 PHE A 156 64.814 3.473 2.461 1.00 0.00 C ATOM 1023 CE1 PHE A 156 63.712 5.783 1.324 1.00 0.00 C ATOM 1024 CE2 PHE A 156 65.448 4.091 1.376 1.00 0.00 C ATOM 1025 CZ PHE A 156 64.897 5.246 0.808 1.00 0.00 C ATOM 0 H PHE A 156 63.419 2.700 6.533 1.00 0.00 H new ATOM 0 HA PHE A 156 63.451 5.211 5.096 1.00 0.00 H new ATOM 0 HB2 PHE A 156 63.498 2.453 4.445 1.00 0.00 H new ATOM 0 HB3 PHE A 156 61.946 3.017 3.858 1.00 0.00 H new ATOM 0 HD1 PHE A 156 62.163 5.579 2.807 1.00 0.00 H new ATOM 0 HD2 PHE A 156 65.239 2.582 2.899 1.00 0.00 H new ATOM 0 HE1 PHE A 156 63.287 6.674 0.886 1.00 0.00 H new ATOM 0 HE2 PHE A 156 66.362 3.677 0.977 1.00 0.00 H new ATOM 0 HZ PHE A 156 65.386 5.723 -0.028 1.00 0.00 H new ATOM 1035 N MET A 157 60.708 3.988 6.390 1.00 0.00 N ATOM 1036 CA MET A 157 59.301 4.272 6.664 1.00 0.00 C ATOM 1037 C MET A 157 59.081 4.499 8.156 1.00 0.00 C ATOM 1038 O MET A 157 58.332 3.770 8.807 1.00 0.00 O ATOM 1039 CB MET A 157 58.421 3.110 6.202 1.00 0.00 C ATOM 1040 CG MET A 157 56.963 3.569 6.133 1.00 0.00 C ATOM 1041 SD MET A 157 56.712 4.551 4.634 1.00 0.00 S ATOM 1042 CE MET A 157 56.096 3.211 3.586 1.00 0.00 C ATOM 0 H MET A 157 61.094 3.200 6.910 1.00 0.00 H new ATOM 0 HA MET A 157 59.029 5.174 6.117 1.00 0.00 H new ATOM 0 HB2 MET A 157 58.749 2.758 5.224 1.00 0.00 H new ATOM 0 HB3 MET A 157 58.517 2.271 6.891 1.00 0.00 H new ATOM 0 HG2 MET A 157 56.298 2.705 6.131 1.00 0.00 H new ATOM 0 HG3 MET A 157 56.714 4.160 7.014 1.00 0.00 H new ATOM 0 HE1 MET A 157 55.461 3.625 2.802 1.00 0.00 H new ATOM 0 HE2 MET A 157 56.938 2.687 3.133 1.00 0.00 H new ATOM 0 HE3 MET A 157 55.517 2.513 4.191 1.00 0.00 H new ATOM 1052 N LYS A 158 59.741 5.523 8.690 1.00 0.00 N ATOM 1053 CA LYS A 158 59.611 5.845 10.108 1.00 0.00 C ATOM 1054 C LYS A 158 58.310 6.599 10.363 1.00 0.00 C ATOM 1055 O LYS A 158 58.317 7.768 10.746 1.00 0.00 O ATOM 1056 CB LYS A 158 60.784 6.711 10.570 1.00 0.00 C ATOM 1057 CG LYS A 158 61.051 7.801 9.531 1.00 0.00 C ATOM 1058 CD LYS A 158 61.935 8.887 10.146 1.00 0.00 C ATOM 1059 CE LYS A 158 63.301 8.295 10.495 1.00 0.00 C ATOM 1060 NZ LYS A 158 63.485 8.308 11.973 1.00 0.00 N ATOM 0 H LYS A 158 60.365 6.139 8.169 1.00 0.00 H new ATOM 0 HA LYS A 158 59.608 4.909 10.667 1.00 0.00 H new ATOM 0 HB2 LYS A 158 60.559 7.162 11.537 1.00 0.00 H new ATOM 0 HB3 LYS A 158 61.674 6.096 10.705 1.00 0.00 H new ATOM 0 HG2 LYS A 158 61.539 7.372 8.656 1.00 0.00 H new ATOM 0 HG3 LYS A 158 60.110 8.233 9.191 1.00 0.00 H new ATOM 0 HD2 LYS A 158 62.053 9.714 9.446 1.00 0.00 H new ATOM 0 HD3 LYS A 158 61.463 9.292 11.041 1.00 0.00 H new ATOM 0 HE2 LYS A 158 63.374 7.275 10.118 1.00 0.00 H new ATOM 0 HE3 LYS A 158 64.092 8.870 10.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 64.414 7.905 12.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 63.433 9.287 12.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 62.737 7.741 12.421 1.00 0.00 H new ATOM 1074 N GLY A 159 57.191 5.914 10.142 1.00 0.00 N ATOM 1075 CA GLY A 159 55.882 6.527 10.348 1.00 0.00 C ATOM 1076 C GLY A 159 55.582 7.540 9.249 1.00 0.00 C ATOM 1077 O GLY A 159 55.294 8.706 9.519 1.00 0.00 O ATOM 0 H GLY A 159 57.163 4.945 9.824 1.00 0.00 H new ATOM 0 HA2 GLY A 159 55.112 5.756 10.359 1.00 0.00 H new ATOM 0 HA3 GLY A 159 55.854 7.019 11.320 1.00 0.00 H new ATOM 1081 N VAL A 160 55.655 7.080 8.003 1.00 0.00 N ATOM 1082 CA VAL A 160 55.390 7.952 6.861 1.00 0.00 C ATOM 1083 C VAL A 160 54.380 7.302 5.921 1.00 0.00 C ATOM 1084 O VAL A 160 54.672 6.301 5.267 1.00 0.00 O ATOM 1085 CB VAL A 160 56.677 8.249 6.079 1.00 0.00 C ATOM 1086 CG1 VAL A 160 57.156 9.663 6.407 1.00 0.00 C ATOM 1087 CG2 VAL A 160 57.769 7.241 6.457 1.00 0.00 C ATOM 0 H VAL A 160 55.893 6.119 7.759 1.00 0.00 H new ATOM 0 HA VAL A 160 54.987 8.887 7.249 1.00 0.00 H new ATOM 0 HB VAL A 160 56.471 8.167 5.012 1.00 0.00 H new ATOM 0 HG11 VAL A 160 58.070 9.875 5.852 1.00 0.00 H new ATOM 0 HG12 VAL A 160 56.386 10.382 6.127 1.00 0.00 H new ATOM 0 HG13 VAL A 160 57.354 9.741 7.476 1.00 0.00 H new ATOM 0 HG21 VAL A 160 58.677 7.461 5.896 1.00 0.00 H new ATOM 0 HG22 VAL A 160 57.976 7.312 7.525 1.00 0.00 H new ATOM 0 HG23 VAL A 160 57.431 6.232 6.219 1.00 0.00 H new ATOM 1097 N GLU A 161 53.186 7.886 5.863 1.00 0.00 N ATOM 1098 CA GLU A 161 52.132 7.360 5.001 1.00 0.00 C ATOM 1099 C GLU A 161 52.519 7.511 3.534 1.00 0.00 C ATOM 1100 O GLU A 161 51.655 7.328 2.692 1.00 0.00 O ATOM 1101 CB GLU A 161 50.817 8.104 5.250 1.00 0.00 C ATOM 1102 CG GLU A 161 49.733 7.103 5.654 1.00 0.00 C ATOM 1103 CD GLU A 161 48.415 7.484 4.988 1.00 0.00 C ATOM 1104 OE1 GLU A 161 48.185 8.670 4.812 1.00 0.00 O ATOM 1105 OE2 GLU A 161 47.656 6.586 4.664 1.00 0.00 O ATOM 1106 OXT GLU A 161 53.673 7.808 3.273 1.00 0.00 O ATOM 0 H GLU A 161 52.926 8.715 6.397 1.00 0.00 H new ATOM 0 HA GLU A 161 52.001 6.303 5.235 1.00 0.00 H new ATOM 0 HB2 GLU A 161 50.951 8.848 6.035 1.00 0.00 H new ATOM 0 HB3 GLU A 161 50.515 8.641 4.351 1.00 0.00 H new ATOM 0 HG2 GLU A 161 50.025 6.096 5.357 1.00 0.00 H new ATOM 0 HG3 GLU A 161 49.616 7.095 6.738 1.00 0.00 H new TER 1113 GLU A 161 HETATM 1114 CA CA A 2 56.226 -8.621 -1.342 1.00 0.00 CA HETATM 1115 CA CA A 3 65.715 -4.375 2.056 1.00 0.00 CA HETATM 1116 S1 EMD A 1 61.262 0.919 2.027 1.00 0.00 S HETATM 1117 C2 EMD A 1 62.779 1.384 1.224 1.00 0.00 C HETATM 1118 O2 EMD A 1 63.845 0.869 1.563 1.00 0.00 O HETATM 1119 N3 EMD A 1 62.754 2.315 0.278 1.00 0.00 N HETATM 1120 N4 EMD A 1 61.612 2.947 -0.169 1.00 0.00 N HETATM 1121 C5 EMD A 1 60.357 2.793 0.090 1.00 0.00 C HETATM 1122 C6 EMD A 1 59.950 1.607 0.990 1.00 0.00 C HETATM 1123 C7 EMD A 1 59.396 0.470 0.130 1.00 0.00 C HETATM 1124 C8 EMD A 1 59.372 3.989 -0.160 1.00 0.00 C HETATM 1125 C9 EMD A 1 58.691 4.564 0.921 1.00 0.00 C HETATM 1126 C10 EMD A 1 57.806 5.635 0.712 1.00 0.00 C HETATM 1127 C11 EMD A 1 57.608 6.118 -0.604 1.00 0.00 C HETATM 1128 C12 EMD A 1 58.290 5.540 -1.682 1.00 0.00 C HETATM 1129 C13 EMD A 1 59.173 4.476 -1.460 1.00 0.00 C HETATM 1130 N14 EMD A 1 56.638 7.273 -0.819 1.00 0.00 N HETATM 1131 C15 EMD A 1 56.224 8.109 0.387 1.00 0.00 C HETATM 1132 C16 EMD A 1 56.876 7.767 1.711 1.00 0.00 C HETATM 1133 C17 EMD A 1 57.067 6.246 1.913 1.00 0.00 C HETATM 1134 C18 EMD A 1 56.108 7.600 -2.064 1.00 0.00 C HETATM 1135 O18 EMD A 1 56.402 6.963 -3.074 1.00 0.00 O HETATM 1136 C19 EMD A 1 55.135 8.769 -2.237 1.00 0.00 C HETATM 1137 C20 EMD A 1 55.546 9.920 -2.923 1.00 0.00 C HETATM 1138 C21 EMD A 1 54.608 10.907 -3.265 1.00 0.00 C HETATM 1139 O21 EMD A 1 55.072 12.036 -3.951 1.00 0.00 O HETATM 1140 C22 EMD A 1 53.276 10.745 -2.927 1.00 0.00 C HETATM 1141 O22 EMD A 1 52.302 11.698 -3.243 1.00 0.00 O HETATM 1142 C23 EMD A 1 52.859 9.596 -2.241 1.00 0.00 C HETATM 1143 C24 EMD A 1 53.786 8.608 -1.896 1.00 0.00 C HETATM 1144 C25 EMD A 1 56.369 12.129 -4.592 1.00 0.00 C HETATM 1145 C26 EMD A 1 50.914 11.608 -2.835 1.00 0.00 C HETATM 0 H263 EMD A 1 50.473 10.698 -3.242 1.00 0.00 H new HETATM 0 H262 EMD A 1 50.855 11.584 -1.747 1.00 0.00 H new HETATM 0 H261 EMD A 1 50.368 12.474 -3.209 1.00 0.00 H new HETATM 0 H253 EMD A 1 57.153 11.988 -3.848 1.00 0.00 H new HETATM 0 H252 EMD A 1 56.452 11.358 -5.358 1.00 0.00 H new HETATM 0 H251 EMD A 1 56.478 13.111 -5.052 1.00 0.00 H new HETATM 0 H172 EMD A 1 56.097 5.764 2.035 1.00 0.00 H new HETATM 0 H171 EMD A 1 57.631 6.062 2.827 1.00 0.00 H new HETATM 0 H162 EMD A 1 57.846 8.261 1.771 1.00 0.00 H new HETATM 0 H161 EMD A 1 56.266 8.162 2.523 1.00 0.00 H new HETATM 0 H152 EMD A 1 56.436 9.155 0.164 1.00 0.00 H new HETATM 0 H151 EMD A 1 55.144 8.021 0.507 1.00 0.00 H new HETATM 0 H9 EMD A 1 58.848 4.179 1.928 1.00 0.00 H new HETATM 0 H73 EMD A 1 60.194 0.060 -0.489 1.00 0.00 H new HETATM 0 H72 EMD A 1 58.999 -0.314 0.775 1.00 0.00 H new HETATM 0 H71 EMD A 1 58.600 0.852 -0.509 1.00 0.00 H new HETATM 0 H6 EMD A 1 59.207 2.028 1.668 1.00 0.00 H new HETATM 0 H3 EMD A 1 63.641 2.582 -0.148 1.00 0.00 H new HETATM 0 H24 EMD A 1 53.460 7.715 -1.363 1.00 0.00 H new HETATM 0 H23 EMD A 1 51.809 9.472 -1.976 1.00 0.00 H new HETATM 0 H20 EMD A 1 56.595 10.049 -3.191 1.00 0.00 H new HETATM 0 H13 EMD A 1 59.706 4.026 -2.298 1.00 0.00 H new HETATM 0 H12 EMD A 1 58.134 5.918 -2.692 1.00 0.00 H new