USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 681 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 ASN : amide:sc= -1.79 K(o=-2.5,f=-9!) USER MOD Set 1.2: A 46 HIS :FLIP no HD1:sc= -0.714 F(o=-4.6,f=-2.5) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -2.84 K(o=-2.8,f=-4.8) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.0594 X(o=-0.059,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -1.2 X(o=-1.2,f=-1) USER MOD Single : A 37 TYR OH : rot -15:sc= -0.897 USER MOD Single : A 38 GLN : amide:sc= -1.8 X(o=-1.8,f=-1.4) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.0081) USER MOD Single : A 42 GLN : amide:sc= -1.39 X(o=-1.4,f=-1.2) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 148:sc= -0.404 (180deg=-1.37!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.0281 X(o=-0.028,f=-0.00099) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 89:sc= 0.0201 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 75:sc= -2.02 USER MOD Single : A 66 THR OG1 : rot 70:sc= -0.0294 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0415) USER MOD Single : A 81 ASN : amide:sc= -0.229 K(o=-0.23,f=-2.2!) USER MOD Single : B 122 GLN : amide:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : B 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 10 -12.021 -8.980 2.241 1.00 34.10 N ATOM 2 CA ASN A 10 -10.709 -8.412 2.495 1.00 14.10 C ATOM 3 C ASN A 10 -10.098 -7.853 1.215 1.00 31.10 C ATOM 4 O ASN A 10 -9.578 -6.737 1.199 1.00 64.50 O ATOM 5 CB ASN A 10 -9.782 -9.468 3.099 1.00 31.30 C ATOM 6 CG ASN A 10 -8.842 -8.885 4.136 1.00 3.12 C ATOM 7 OD1 ASN A 10 -7.668 -8.637 3.857 1.00 72.20 O ATOM 8 ND2 ASN A 10 -9.352 -8.665 5.342 1.00 43.40 N ATOM 0 HA ASN A 10 -10.827 -7.593 3.205 1.00 14.10 H new ATOM 0 HB2 ASN A 10 -10.381 -10.255 3.557 1.00 31.30 H new ATOM 0 HB3 ASN A 10 -9.199 -9.933 2.304 1.00 31.30 H new ATOM 0 HD21 ASN A 10 -8.766 -8.276 6.080 1.00 43.40 H new ATOM 0 HD22 ASN A 10 -10.330 -8.885 5.530 1.00 43.40 H new ATOM 15 N LEU A 11 -10.157 -8.632 0.148 1.00 73.00 N ATOM 16 CA LEU A 11 -9.615 -8.219 -1.142 1.00 70.30 C ATOM 17 C LEU A 11 -10.335 -6.981 -1.664 1.00 35.10 C ATOM 18 O LEU A 11 -9.731 -6.125 -2.312 1.00 43.10 O ATOM 19 CB LEU A 11 -9.724 -9.357 -2.160 1.00 14.50 C ATOM 20 CG LEU A 11 -8.620 -9.386 -3.217 1.00 24.30 C ATOM 21 CD1 LEU A 11 -8.555 -10.753 -3.882 1.00 43.10 C ATOM 22 CD2 LEU A 11 -8.848 -8.298 -4.255 1.00 21.40 C ATOM 0 H LEU A 11 -10.577 -9.561 0.147 1.00 73.00 H new ATOM 0 HA LEU A 11 -8.563 -7.973 -1.000 1.00 70.30 H new ATOM 0 HB2 LEU A 11 -9.718 -10.306 -1.624 1.00 14.50 H new ATOM 0 HB3 LEU A 11 -10.687 -9.282 -2.664 1.00 14.50 H new ATOM 0 HG LEU A 11 -7.666 -9.197 -2.725 1.00 24.30 H new ATOM 0 HD11 LEU A 11 -7.764 -10.756 -4.632 1.00 43.10 H new ATOM 0 HD12 LEU A 11 -8.345 -11.514 -3.130 1.00 43.10 H new ATOM 0 HD13 LEU A 11 -9.510 -10.970 -4.361 1.00 43.10 H new ATOM 0 HD21 LEU A 11 -8.053 -8.333 -5.000 1.00 21.40 H new ATOM 0 HD22 LEU A 11 -9.810 -8.457 -4.743 1.00 21.40 H new ATOM 0 HD23 LEU A 11 -8.845 -7.323 -3.767 1.00 21.40 H new ATOM 34 N GLN A 12 -11.631 -6.893 -1.381 1.00 24.50 N ATOM 35 CA GLN A 12 -12.434 -5.760 -1.823 1.00 24.20 C ATOM 36 C GLN A 12 -11.911 -4.457 -1.233 1.00 32.20 C ATOM 37 O GLN A 12 -11.833 -3.441 -1.924 1.00 34.30 O ATOM 38 CB GLN A 12 -13.897 -5.962 -1.426 1.00 71.10 C ATOM 39 CG GLN A 12 -14.883 -5.306 -2.381 1.00 31.50 C ATOM 40 CD GLN A 12 -16.325 -5.505 -1.958 1.00 22.10 C ATOM 41 OE1 GLN A 12 -16.861 -4.737 -1.159 1.00 60.00 O ATOM 42 NE2 GLN A 12 -16.964 -6.542 -2.496 1.00 31.40 N ATOM 0 H GLN A 12 -12.147 -7.593 -0.848 1.00 24.50 H new ATOM 0 HA GLN A 12 -12.363 -5.698 -2.909 1.00 24.20 H new ATOM 0 HB2 GLN A 12 -14.107 -7.030 -1.377 1.00 71.10 H new ATOM 0 HB3 GLN A 12 -14.052 -5.560 -0.425 1.00 71.10 H new ATOM 0 HG2 GLN A 12 -14.670 -4.239 -2.441 1.00 31.50 H new ATOM 0 HG3 GLN A 12 -14.742 -5.716 -3.381 1.00 31.50 H new ATOM 0 HE21 GLN A 12 -16.481 -7.153 -3.154 1.00 31.40 H new ATOM 0 HE22 GLN A 12 -17.937 -6.725 -2.250 1.00 31.40 H new ATOM 51 N LYS A 13 -11.559 -4.495 0.045 1.00 3.32 N ATOM 52 CA LYS A 13 -11.042 -3.315 0.730 1.00 13.30 C ATOM 53 C LYS A 13 -9.703 -2.886 0.139 1.00 44.10 C ATOM 54 O LYS A 13 -9.418 -1.695 0.024 1.00 61.40 O ATOM 55 CB LYS A 13 -10.887 -3.595 2.225 1.00 72.20 C ATOM 56 CG LYS A 13 -12.134 -3.281 3.037 1.00 12.30 C ATOM 57 CD LYS A 13 -13.180 -4.373 2.894 1.00 53.30 C ATOM 58 CE LYS A 13 -14.326 -4.179 3.874 1.00 54.40 C ATOM 59 NZ LYS A 13 -13.988 -4.687 5.232 1.00 21.10 N ATOM 0 H LYS A 13 -11.621 -5.329 0.629 1.00 3.32 H new ATOM 0 HA LYS A 13 -11.756 -2.503 0.592 1.00 13.30 H new ATOM 0 HB2 LYS A 13 -10.628 -4.645 2.364 1.00 72.20 H new ATOM 0 HB3 LYS A 13 -10.055 -3.007 2.612 1.00 72.20 H new ATOM 0 HG2 LYS A 13 -11.866 -3.167 4.088 1.00 12.30 H new ATOM 0 HG3 LYS A 13 -12.553 -2.329 2.710 1.00 12.30 H new ATOM 0 HD2 LYS A 13 -13.568 -4.376 1.875 1.00 53.30 H new ATOM 0 HD3 LYS A 13 -12.717 -5.346 3.062 1.00 53.30 H new ATOM 0 HE2 LYS A 13 -14.576 -3.120 3.935 1.00 54.40 H new ATOM 0 HE3 LYS A 13 -15.212 -4.695 3.503 1.00 54.40 H new ATOM 0 HZ1 LYS A 13 -14.795 -4.536 5.870 1.00 21.10 H new ATOM 0 HZ2 LYS A 13 -13.774 -5.703 5.179 1.00 21.10 H new ATOM 0 HZ3 LYS A 13 -13.158 -4.177 5.597 1.00 21.10 H new ATOM 73 N ALA A 14 -8.886 -3.866 -0.234 1.00 14.00 N ATOM 74 CA ALA A 14 -7.577 -3.589 -0.812 1.00 71.50 C ATOM 75 C ALA A 14 -7.706 -2.775 -2.096 1.00 1.33 C ATOM 76 O ALA A 14 -6.988 -1.795 -2.295 1.00 50.40 O ATOM 77 CB ALA A 14 -6.834 -4.888 -1.082 1.00 52.20 C ATOM 0 H ALA A 14 -9.108 -4.858 -0.146 1.00 14.00 H new ATOM 0 HA ALA A 14 -7.007 -3.000 -0.094 1.00 71.50 H new ATOM 0 HB1 ALA A 14 -5.858 -4.666 -1.514 1.00 52.20 H new ATOM 0 HB2 ALA A 14 -6.702 -5.433 -0.147 1.00 52.20 H new ATOM 0 HB3 ALA A 14 -7.409 -5.498 -1.779 1.00 52.20 H new ATOM 83 N ILE A 15 -8.623 -3.187 -2.963 1.00 22.30 N ATOM 84 CA ILE A 15 -8.846 -2.497 -4.227 1.00 21.40 C ATOM 85 C ILE A 15 -9.543 -1.159 -4.007 1.00 74.20 C ATOM 86 O ILE A 15 -9.142 -0.139 -4.567 1.00 53.10 O ATOM 87 CB ILE A 15 -9.688 -3.349 -5.192 1.00 33.40 C ATOM 88 CG1 ILE A 15 -9.121 -4.766 -5.275 1.00 15.10 C ATOM 89 CG2 ILE A 15 -9.726 -2.702 -6.567 1.00 71.40 C ATOM 90 CD1 ILE A 15 -7.687 -4.822 -5.742 1.00 72.00 C ATOM 0 H ILE A 15 -9.225 -3.997 -2.813 1.00 22.30 H new ATOM 0 HA ILE A 15 -7.865 -2.324 -4.670 1.00 21.40 H new ATOM 0 HB ILE A 15 -10.708 -3.409 -4.813 1.00 33.40 H new ATOM 0 HG12 ILE A 15 -9.192 -5.234 -4.293 1.00 15.10 H new ATOM 0 HG13 ILE A 15 -9.738 -5.355 -5.954 1.00 15.10 H new ATOM 0 HG21 ILE A 15 -10.325 -3.315 -7.241 1.00 71.40 H new ATOM 0 HG22 ILE A 15 -10.168 -1.709 -6.490 1.00 71.40 H new ATOM 0 HG23 ILE A 15 -8.712 -2.618 -6.958 1.00 71.40 H new ATOM 0 HD11 ILE A 15 -7.355 -5.860 -5.775 1.00 72.00 H new ATOM 0 HD12 ILE A 15 -7.611 -4.385 -6.738 1.00 72.00 H new ATOM 0 HD13 ILE A 15 -7.057 -4.262 -5.051 1.00 72.00 H new ATOM 102 N ASP A 16 -10.591 -1.172 -3.189 1.00 65.40 N ATOM 103 CA ASP A 16 -11.345 0.041 -2.896 1.00 34.20 C ATOM 104 C ASP A 16 -10.452 1.095 -2.248 1.00 14.00 C ATOM 105 O ASP A 16 -10.508 2.272 -2.602 1.00 14.30 O ATOM 106 CB ASP A 16 -12.525 -0.277 -1.976 1.00 15.30 C ATOM 107 CG ASP A 16 -13.655 0.720 -2.121 1.00 20.10 C ATOM 108 OD1 ASP A 16 -14.034 1.018 -3.274 1.00 31.10 O ATOM 109 OD2 ASP A 16 -14.171 1.196 -1.092 1.00 64.30 O ATOM 0 H ASP A 16 -10.937 -2.008 -2.718 1.00 65.40 H new ATOM 0 HA ASP A 16 -11.723 0.439 -3.838 1.00 34.20 H new ATOM 0 HB2 ASP A 16 -12.896 -1.277 -2.198 1.00 15.30 H new ATOM 0 HB3 ASP A 16 -12.183 -0.286 -0.941 1.00 15.30 H new ATOM 114 N LEU A 17 -9.628 0.663 -1.299 1.00 34.50 N ATOM 115 CA LEU A 17 -8.722 1.569 -0.603 1.00 71.40 C ATOM 116 C LEU A 17 -7.552 1.963 -1.499 1.00 30.20 C ATOM 117 O LEU A 17 -7.152 3.126 -1.538 1.00 31.40 O ATOM 118 CB LEU A 17 -8.201 0.917 0.679 1.00 13.10 C ATOM 119 CG LEU A 17 -9.204 0.861 1.831 1.00 53.20 C ATOM 120 CD1 LEU A 17 -8.921 -0.334 2.729 1.00 60.00 C ATOM 121 CD2 LEU A 17 -9.166 2.153 2.633 1.00 60.30 C ATOM 0 H LEU A 17 -9.569 -0.309 -0.994 1.00 34.50 H new ATOM 0 HA LEU A 17 -9.277 2.470 -0.344 1.00 71.40 H new ATOM 0 HB2 LEU A 17 -7.880 -0.099 0.447 1.00 13.10 H new ATOM 0 HB3 LEU A 17 -7.318 1.462 1.013 1.00 13.10 H new ATOM 0 HG LEU A 17 -10.203 0.745 1.412 1.00 53.20 H new ATOM 0 HD11 LEU A 17 -9.645 -0.357 3.543 1.00 60.00 H new ATOM 0 HD12 LEU A 17 -8.999 -1.253 2.148 1.00 60.00 H new ATOM 0 HD13 LEU A 17 -7.915 -0.250 3.140 1.00 60.00 H new ATOM 0 HD21 LEU A 17 -9.886 2.096 3.449 1.00 60.30 H new ATOM 0 HD22 LEU A 17 -8.166 2.299 3.041 1.00 60.30 H new ATOM 0 HD23 LEU A 17 -9.419 2.992 1.984 1.00 60.30 H new ATOM 133 N ALA A 18 -7.007 0.986 -2.217 1.00 23.50 N ATOM 134 CA ALA A 18 -5.883 1.231 -3.112 1.00 41.50 C ATOM 135 C ALA A 18 -6.247 2.253 -4.183 1.00 35.50 C ATOM 136 O ALA A 18 -5.458 3.145 -4.498 1.00 0.14 O ATOM 137 CB ALA A 18 -5.428 -0.070 -3.755 1.00 64.40 C ATOM 0 H ALA A 18 -7.326 0.017 -2.196 1.00 23.50 H new ATOM 0 HA ALA A 18 -5.062 1.639 -2.522 1.00 41.50 H new ATOM 0 HB1 ALA A 18 -4.588 0.128 -4.421 1.00 64.40 H new ATOM 0 HB2 ALA A 18 -5.119 -0.771 -2.979 1.00 64.40 H new ATOM 0 HB3 ALA A 18 -6.250 -0.501 -4.326 1.00 64.40 H new ATOM 143 N SER A 19 -7.447 2.119 -4.738 1.00 34.40 N ATOM 144 CA SER A 19 -7.916 3.033 -5.774 1.00 22.30 C ATOM 145 C SER A 19 -8.152 4.427 -5.203 1.00 11.10 C ATOM 146 O SER A 19 -7.944 5.431 -5.884 1.00 75.40 O ATOM 147 CB SER A 19 -9.205 2.502 -6.405 1.00 50.20 C ATOM 148 OG SER A 19 -9.344 2.958 -7.740 1.00 71.10 O ATOM 0 H SER A 19 -8.112 1.387 -4.488 1.00 34.40 H new ATOM 0 HA SER A 19 -7.145 3.101 -6.541 1.00 22.30 H new ATOM 0 HB2 SER A 19 -9.200 1.412 -6.388 1.00 50.20 H new ATOM 0 HB3 SER A 19 -10.063 2.826 -5.815 1.00 50.20 H new ATOM 0 HG SER A 19 -10.174 2.604 -8.122 1.00 71.10 H new ATOM 154 N LYS A 20 -8.590 4.481 -3.949 1.00 63.10 N ATOM 155 CA LYS A 20 -8.855 5.753 -3.287 1.00 55.20 C ATOM 156 C LYS A 20 -7.553 6.432 -2.873 1.00 54.10 C ATOM 157 O LYS A 20 -7.453 7.659 -2.874 1.00 50.40 O ATOM 158 CB LYS A 20 -9.743 5.538 -2.061 1.00 20.00 C ATOM 159 CG LYS A 20 -10.476 6.792 -1.613 1.00 61.40 C ATOM 160 CD LYS A 20 -11.724 6.453 -0.814 1.00 13.20 C ATOM 161 CE LYS A 20 -12.686 7.629 -0.757 1.00 65.30 C ATOM 162 NZ LYS A 20 -14.101 7.184 -0.628 1.00 3.44 N ATOM 0 H LYS A 20 -8.769 3.659 -3.372 1.00 63.10 H new ATOM 0 HA LYS A 20 -9.374 6.401 -3.994 1.00 55.20 H new ATOM 0 HB2 LYS A 20 -10.474 4.760 -2.284 1.00 20.00 H new ATOM 0 HB3 LYS A 20 -9.129 5.172 -1.238 1.00 20.00 H new ATOM 0 HG2 LYS A 20 -9.811 7.407 -1.007 1.00 61.40 H new ATOM 0 HG3 LYS A 20 -10.751 7.385 -2.485 1.00 61.40 H new ATOM 0 HD2 LYS A 20 -12.223 5.595 -1.264 1.00 13.20 H new ATOM 0 HD3 LYS A 20 -11.442 6.163 0.198 1.00 13.20 H new ATOM 0 HE2 LYS A 20 -12.428 8.268 0.087 1.00 65.30 H new ATOM 0 HE3 LYS A 20 -12.576 8.232 -1.658 1.00 65.30 H new ATOM 0 HZ1 LYS A 20 -14.725 8.016 -0.592 1.00 3.44 H new ATOM 0 HZ2 LYS A 20 -14.356 6.595 -1.446 1.00 3.44 H new ATOM 0 HZ3 LYS A 20 -14.213 6.630 0.245 1.00 3.44 H new ATOM 176 N ALA A 21 -6.558 5.626 -2.518 1.00 42.20 N ATOM 177 CA ALA A 21 -5.262 6.150 -2.101 1.00 21.20 C ATOM 178 C ALA A 21 -4.622 6.977 -3.211 1.00 70.40 C ATOM 179 O ALA A 21 -4.248 8.130 -3.002 1.00 13.10 O ATOM 180 CB ALA A 21 -4.341 5.011 -1.690 1.00 44.50 C ATOM 0 H ALA A 21 -6.624 4.608 -2.511 1.00 42.20 H new ATOM 0 HA ALA A 21 -5.420 6.803 -1.243 1.00 21.20 H new ATOM 0 HB1 ALA A 21 -3.377 5.416 -1.381 1.00 44.50 H new ATOM 0 HB2 ALA A 21 -4.788 4.463 -0.860 1.00 44.50 H new ATOM 0 HB3 ALA A 21 -4.197 4.337 -2.534 1.00 44.50 H new ATOM 186 N ALA A 22 -4.499 6.379 -4.391 1.00 22.50 N ATOM 187 CA ALA A 22 -3.905 7.060 -5.535 1.00 31.30 C ATOM 188 C ALA A 22 -4.785 8.212 -6.005 1.00 31.50 C ATOM 189 O ALA A 22 -4.289 9.218 -6.513 1.00 75.20 O ATOM 190 CB ALA A 22 -3.668 6.075 -6.671 1.00 32.10 C ATOM 0 H ALA A 22 -4.803 5.424 -4.580 1.00 22.50 H new ATOM 0 HA ALA A 22 -2.946 7.474 -5.223 1.00 31.30 H new ATOM 0 HB1 ALA A 22 -3.224 6.597 -7.519 1.00 32.10 H new ATOM 0 HB2 ALA A 22 -2.992 5.288 -6.335 1.00 32.10 H new ATOM 0 HB3 ALA A 22 -4.617 5.633 -6.974 1.00 32.10 H new ATOM 196 N GLN A 23 -6.094 8.059 -5.833 1.00 34.40 N ATOM 197 CA GLN A 23 -7.045 9.087 -6.241 1.00 45.30 C ATOM 198 C GLN A 23 -6.851 10.361 -5.424 1.00 12.30 C ATOM 199 O GLN A 23 -7.080 11.466 -5.915 1.00 25.10 O ATOM 200 CB GLN A 23 -8.478 8.577 -6.084 1.00 20.40 C ATOM 201 CG GLN A 23 -9.493 9.358 -6.902 1.00 74.10 C ATOM 202 CD GLN A 23 -9.694 10.771 -6.390 1.00 12.10 C ATOM 203 OE1 GLN A 23 -9.337 11.742 -7.057 1.00 73.30 O ATOM 204 NE2 GLN A 23 -10.268 10.892 -5.199 1.00 2.51 N ATOM 0 H GLN A 23 -6.521 7.233 -5.414 1.00 34.40 H new ATOM 0 HA GLN A 23 -6.864 9.320 -7.290 1.00 45.30 H new ATOM 0 HB2 GLN A 23 -8.516 7.528 -6.378 1.00 20.40 H new ATOM 0 HB3 GLN A 23 -8.758 8.623 -5.032 1.00 20.40 H new ATOM 0 HG2 GLN A 23 -9.165 9.396 -7.941 1.00 74.10 H new ATOM 0 HG3 GLN A 23 -10.447 8.832 -6.888 1.00 74.10 H new ATOM 0 HE21 GLN A 23 -10.548 10.059 -4.681 1.00 2.51 H new ATOM 0 HE22 GLN A 23 -10.429 11.818 -4.802 1.00 2.51 H new ATOM 213 N GLU A 24 -6.430 10.197 -4.173 1.00 41.00 N ATOM 214 CA GLU A 24 -6.207 11.334 -3.288 1.00 50.00 C ATOM 215 C GLU A 24 -4.874 12.008 -3.593 1.00 44.20 C ATOM 216 O GLU A 24 -4.735 13.223 -3.449 1.00 75.40 O ATOM 217 CB GLU A 24 -6.241 10.883 -1.826 1.00 63.10 C ATOM 218 CG GLU A 24 -7.647 10.673 -1.287 1.00 23.20 C ATOM 219 CD GLU A 24 -8.533 11.888 -1.481 1.00 3.33 C ATOM 220 OE1 GLU A 24 -9.076 12.055 -2.592 1.00 44.20 O ATOM 221 OE2 GLU A 24 -8.684 12.673 -0.521 1.00 72.20 O ATOM 0 H GLU A 24 -6.237 9.289 -3.751 1.00 41.00 H new ATOM 0 HA GLU A 24 -7.006 12.056 -3.457 1.00 50.00 H new ATOM 0 HB2 GLU A 24 -5.681 9.953 -1.728 1.00 63.10 H new ATOM 0 HB3 GLU A 24 -5.733 11.627 -1.213 1.00 63.10 H new ATOM 0 HG2 GLU A 24 -8.099 9.815 -1.785 1.00 23.20 H new ATOM 0 HG3 GLU A 24 -7.593 10.433 -0.225 1.00 23.20 H new ATOM 228 N ASP A 25 -3.896 11.213 -4.015 1.00 25.10 N ATOM 229 CA ASP A 25 -2.574 11.733 -4.340 1.00 3.13 C ATOM 230 C ASP A 25 -2.658 12.775 -5.451 1.00 12.20 C ATOM 231 O ASP A 25 -2.071 13.852 -5.351 1.00 1.22 O ATOM 232 CB ASP A 25 -1.644 10.594 -4.764 1.00 61.30 C ATOM 233 CG ASP A 25 -0.212 11.055 -4.951 1.00 64.00 C ATOM 234 OD1 ASP A 25 0.099 11.605 -6.028 1.00 15.30 O ATOM 235 OD2 ASP A 25 0.598 10.867 -4.019 1.00 34.20 O ATOM 0 H ASP A 25 -3.995 10.206 -4.140 1.00 25.10 H new ATOM 0 HA ASP A 25 -2.169 12.210 -3.447 1.00 3.13 H new ATOM 0 HB2 ASP A 25 -1.674 9.806 -4.012 1.00 61.30 H new ATOM 0 HB3 ASP A 25 -2.007 10.160 -5.695 1.00 61.30 H new ATOM 240 N LYS A 26 -3.394 12.447 -6.508 1.00 52.40 N ATOM 241 CA LYS A 26 -3.557 13.355 -7.637 1.00 60.30 C ATOM 242 C LYS A 26 -4.622 14.407 -7.341 1.00 62.00 C ATOM 243 O LYS A 26 -4.551 15.533 -7.833 1.00 3.25 O ATOM 244 CB LYS A 26 -3.932 12.574 -8.898 1.00 54.40 C ATOM 245 CG LYS A 26 -3.468 13.233 -10.179 1.00 41.10 C ATOM 246 CD LYS A 26 -4.341 12.833 -11.357 1.00 65.10 C ATOM 247 CE LYS A 26 -4.260 13.852 -12.482 1.00 53.20 C ATOM 248 NZ LYS A 26 -5.567 14.032 -13.172 1.00 71.00 N ATOM 0 H LYS A 26 -3.887 11.559 -6.606 1.00 52.40 H new ATOM 0 HA LYS A 26 -2.607 13.863 -7.802 1.00 60.30 H new ATOM 0 HB2 LYS A 26 -3.502 11.574 -8.837 1.00 54.40 H new ATOM 0 HB3 LYS A 26 -5.015 12.454 -8.932 1.00 54.40 H new ATOM 0 HG2 LYS A 26 -3.488 14.316 -10.061 1.00 41.10 H new ATOM 0 HG3 LYS A 26 -2.434 12.954 -10.380 1.00 41.10 H new ATOM 0 HD2 LYS A 26 -4.030 11.856 -11.727 1.00 65.10 H new ATOM 0 HD3 LYS A 26 -5.375 12.735 -11.028 1.00 65.10 H new ATOM 0 HE2 LYS A 26 -3.928 14.809 -12.080 1.00 53.20 H new ATOM 0 HE3 LYS A 26 -3.510 13.533 -13.206 1.00 53.20 H new ATOM 0 HZ1 LYS A 26 -5.465 14.735 -13.931 1.00 71.00 H new ATOM 0 HZ2 LYS A 26 -5.872 13.125 -13.579 1.00 71.00 H new ATOM 0 HZ3 LYS A 26 -6.278 14.362 -12.488 1.00 71.00 H new ATOM 262 N ALA A 27 -5.609 14.030 -6.534 1.00 45.30 N ATOM 263 CA ALA A 27 -6.690 14.939 -6.173 1.00 33.30 C ATOM 264 C ALA A 27 -6.150 16.181 -5.472 1.00 11.40 C ATOM 265 O ALA A 27 -6.292 17.298 -5.970 1.00 24.40 O ATOM 266 CB ALA A 27 -7.702 14.229 -5.287 1.00 24.00 C ATOM 0 H ALA A 27 -5.682 13.102 -6.118 1.00 45.30 H new ATOM 0 HA ALA A 27 -7.186 15.257 -7.090 1.00 33.30 H new ATOM 0 HB1 ALA A 27 -8.504 14.919 -5.025 1.00 24.00 H new ATOM 0 HB2 ALA A 27 -8.118 13.376 -5.822 1.00 24.00 H new ATOM 0 HB3 ALA A 27 -7.210 13.883 -4.378 1.00 24.00 H new ATOM 272 N GLY A 28 -5.531 15.979 -4.313 1.00 4.10 N ATOM 273 CA GLY A 28 -4.980 17.093 -3.564 1.00 20.30 C ATOM 274 C GLY A 28 -4.689 16.736 -2.119 1.00 75.10 C ATOM 275 O GLY A 28 -3.790 17.306 -1.501 1.00 52.30 O ATOM 0 H GLY A 28 -5.401 15.065 -3.880 1.00 4.10 H new ATOM 0 HA2 GLY A 28 -4.061 17.430 -4.044 1.00 20.30 H new ATOM 0 HA3 GLY A 28 -5.680 17.928 -3.594 1.00 20.30 H new ATOM 279 N ASN A 29 -5.452 15.791 -1.580 1.00 33.10 N ATOM 280 CA ASN A 29 -5.271 15.360 -0.198 1.00 64.30 C ATOM 281 C ASN A 29 -4.120 14.366 -0.085 1.00 64.20 C ATOM 282 O ASN A 29 -4.336 13.154 -0.041 1.00 2.41 O ATOM 283 CB ASN A 29 -6.560 14.730 0.333 1.00 12.40 C ATOM 284 CG ASN A 29 -7.739 15.681 0.266 1.00 24.50 C ATOM 285 OD1 ASN A 29 -7.893 16.558 1.116 1.00 14.50 O ATOM 286 ND2 ASN A 29 -8.579 15.511 -0.749 1.00 35.10 N ATOM 0 H ASN A 29 -6.201 15.309 -2.078 1.00 33.10 H new ATOM 0 HA ASN A 29 -5.029 16.237 0.403 1.00 64.30 H new ATOM 0 HB2 ASN A 29 -6.787 13.833 -0.243 1.00 12.40 H new ATOM 0 HB3 ASN A 29 -6.409 14.415 1.366 1.00 12.40 H new ATOM 0 HD21 ASN A 29 -9.391 16.121 -0.847 1.00 35.10 H new ATOM 0 HD22 ASN A 29 -8.412 14.771 -1.431 1.00 35.10 H new ATOM 293 N TYR A 30 -2.898 14.886 -0.036 1.00 75.00 N ATOM 294 CA TYR A 30 -1.713 14.043 0.074 1.00 43.50 C ATOM 295 C TYR A 30 -1.749 13.218 1.355 1.00 0.01 C ATOM 296 O TYR A 30 -1.574 12.000 1.327 1.00 43.20 O ATOM 297 CB TYR A 30 -0.447 14.901 0.041 1.00 11.20 C ATOM 298 CG TYR A 30 -0.339 15.776 -1.187 1.00 1.05 C ATOM 299 CD1 TYR A 30 -0.680 15.288 -2.443 1.00 54.50 C ATOM 300 CD2 TYR A 30 0.103 17.089 -1.092 1.00 73.00 C ATOM 301 CE1 TYR A 30 -0.583 16.084 -3.568 1.00 55.40 C ATOM 302 CE2 TYR A 30 0.203 17.892 -2.212 1.00 61.30 C ATOM 303 CZ TYR A 30 -0.141 17.384 -3.448 1.00 62.40 C ATOM 304 OH TYR A 30 -0.043 18.180 -4.566 1.00 5.13 O ATOM 0 H TYR A 30 -2.702 15.886 -0.071 1.00 75.00 H new ATOM 0 HA TYR A 30 -1.703 13.360 -0.776 1.00 43.50 H new ATOM 0 HB2 TYR A 30 -0.423 15.532 0.929 1.00 11.20 H new ATOM 0 HB3 TYR A 30 0.425 14.249 0.090 1.00 11.20 H new ATOM 0 HD1 TYR A 30 -1.026 14.270 -2.541 1.00 54.50 H new ATOM 0 HD2 TYR A 30 0.373 17.489 -0.126 1.00 73.00 H new ATOM 0 HE1 TYR A 30 -0.852 15.690 -4.537 1.00 55.40 H new ATOM 0 HE2 TYR A 30 0.548 18.911 -2.121 1.00 61.30 H new ATOM 0 HH TYR A 30 0.283 19.067 -4.308 1.00 5.13 H new ATOM 314 N GLU A 31 -1.982 13.890 2.479 1.00 45.30 N ATOM 315 CA GLU A 31 -2.043 13.218 3.772 1.00 5.11 C ATOM 316 C GLU A 31 -3.128 12.145 3.774 1.00 3.54 C ATOM 317 O GLU A 31 -3.007 11.128 4.457 1.00 60.30 O ATOM 318 CB GLU A 31 -2.311 14.233 4.884 1.00 53.20 C ATOM 319 CG GLU A 31 -1.585 13.919 6.182 1.00 14.00 C ATOM 320 CD GLU A 31 -1.921 14.898 7.290 1.00 55.50 C ATOM 321 OE1 GLU A 31 -1.886 16.120 7.033 1.00 14.20 O ATOM 322 OE2 GLU A 31 -2.220 14.443 8.413 1.00 63.10 O ATOM 0 H GLU A 31 -2.131 14.898 2.520 1.00 45.30 H new ATOM 0 HA GLU A 31 -1.081 12.738 3.952 1.00 5.11 H new ATOM 0 HB2 GLU A 31 -2.012 15.223 4.540 1.00 53.20 H new ATOM 0 HB3 GLU A 31 -3.383 14.273 5.077 1.00 53.20 H new ATOM 0 HG2 GLU A 31 -1.843 12.910 6.503 1.00 14.00 H new ATOM 0 HG3 GLU A 31 -0.510 13.932 6.005 1.00 14.00 H new ATOM 329 N GLU A 32 -4.184 12.378 3.002 1.00 72.20 N ATOM 330 CA GLU A 32 -5.289 11.432 2.910 1.00 15.40 C ATOM 331 C GLU A 32 -4.886 10.207 2.095 1.00 45.30 C ATOM 332 O GLU A 32 -5.320 9.090 2.377 1.00 12.40 O ATOM 333 CB GLU A 32 -6.510 12.102 2.279 1.00 45.50 C ATOM 334 CG GLU A 32 -7.714 11.184 2.155 1.00 75.50 C ATOM 335 CD GLU A 32 -8.448 11.005 3.470 1.00 72.50 C ATOM 336 OE1 GLU A 32 -9.203 11.921 3.859 1.00 23.50 O ATOM 337 OE2 GLU A 32 -8.267 9.949 4.112 1.00 30.00 O ATOM 0 H GLU A 32 -4.298 13.215 2.430 1.00 72.20 H new ATOM 0 HA GLU A 32 -5.544 11.108 3.919 1.00 15.40 H new ATOM 0 HB2 GLU A 32 -6.786 12.970 2.877 1.00 45.50 H new ATOM 0 HB3 GLU A 32 -6.241 12.469 1.289 1.00 45.50 H new ATOM 0 HG2 GLU A 32 -8.401 11.590 1.412 1.00 75.50 H new ATOM 0 HG3 GLU A 32 -7.388 10.210 1.790 1.00 75.50 H new ATOM 344 N ALA A 33 -4.054 10.426 1.082 1.00 62.20 N ATOM 345 CA ALA A 33 -3.591 9.342 0.225 1.00 12.10 C ATOM 346 C ALA A 33 -2.600 8.447 0.960 1.00 23.00 C ATOM 347 O ALA A 33 -2.571 7.234 0.752 1.00 63.40 O ATOM 348 CB ALA A 33 -2.960 9.904 -1.041 1.00 33.10 C ATOM 0 H ALA A 33 -3.687 11.345 0.835 1.00 62.20 H new ATOM 0 HA ALA A 33 -4.453 8.735 -0.050 1.00 12.10 H new ATOM 0 HB1 ALA A 33 -2.618 9.084 -1.672 1.00 33.10 H new ATOM 0 HB2 ALA A 33 -3.697 10.496 -1.583 1.00 33.10 H new ATOM 0 HB3 ALA A 33 -2.112 10.535 -0.776 1.00 33.10 H new ATOM 354 N LEU A 34 -1.788 9.054 1.820 1.00 25.10 N ATOM 355 CA LEU A 34 -0.795 8.312 2.587 1.00 33.30 C ATOM 356 C LEU A 34 -1.466 7.319 3.530 1.00 72.20 C ATOM 357 O LEU A 34 -1.132 6.134 3.540 1.00 25.10 O ATOM 358 CB LEU A 34 0.087 9.275 3.385 1.00 43.10 C ATOM 359 CG LEU A 34 1.506 8.776 3.660 1.00 62.10 C ATOM 360 CD1 LEU A 34 2.309 9.834 4.402 1.00 43.10 C ATOM 361 CD2 LEU A 34 1.470 7.478 4.454 1.00 54.40 C ATOM 0 H LEU A 34 -1.799 10.057 2.003 1.00 25.10 H new ATOM 0 HA LEU A 34 -0.173 7.756 1.886 1.00 33.30 H new ATOM 0 HB2 LEU A 34 0.149 10.220 2.845 1.00 43.10 H new ATOM 0 HB3 LEU A 34 -0.399 9.484 4.338 1.00 43.10 H new ATOM 0 HG LEU A 34 1.994 8.582 2.705 1.00 62.10 H new ATOM 0 HD11 LEU A 34 3.316 9.462 4.589 1.00 43.10 H new ATOM 0 HD12 LEU A 34 2.363 10.740 3.798 1.00 43.10 H new ATOM 0 HD13 LEU A 34 1.823 10.060 5.351 1.00 43.10 H new ATOM 0 HD21 LEU A 34 2.488 7.137 4.641 1.00 54.40 H new ATOM 0 HD22 LEU A 34 0.964 7.647 5.404 1.00 54.40 H new ATOM 0 HD23 LEU A 34 0.932 6.719 3.886 1.00 54.40 H new ATOM 373 N GLN A 35 -2.414 7.810 4.321 1.00 71.50 N ATOM 374 CA GLN A 35 -3.133 6.966 5.269 1.00 13.00 C ATOM 375 C GLN A 35 -3.868 5.842 4.546 1.00 44.50 C ATOM 376 O GLN A 35 -3.865 4.695 4.993 1.00 52.00 O ATOM 377 CB GLN A 35 -4.124 7.803 6.079 1.00 44.40 C ATOM 378 CG GLN A 35 -5.122 8.562 5.221 1.00 2.44 C ATOM 379 CD GLN A 35 -6.016 9.477 6.038 1.00 44.20 C ATOM 380 OE1 GLN A 35 -7.102 9.084 6.462 1.00 11.10 O ATOM 381 NE2 GLN A 35 -5.560 10.703 6.261 1.00 31.10 N ATOM 0 H GLN A 35 -2.703 8.788 4.325 1.00 71.50 H new ATOM 0 HA GLN A 35 -2.405 6.522 5.948 1.00 13.00 H new ATOM 0 HB2 GLN A 35 -4.667 7.149 6.761 1.00 44.40 H new ATOM 0 HB3 GLN A 35 -3.570 8.514 6.692 1.00 44.40 H new ATOM 0 HG2 GLN A 35 -4.583 9.153 4.480 1.00 2.44 H new ATOM 0 HG3 GLN A 35 -5.740 7.851 4.673 1.00 2.44 H new ATOM 0 HE21 GLN A 35 -4.653 10.985 5.889 1.00 31.10 H new ATOM 0 HE22 GLN A 35 -6.117 11.363 6.804 1.00 31.10 H new ATOM 390 N LEU A 36 -4.499 6.179 3.425 1.00 20.30 N ATOM 391 CA LEU A 36 -5.239 5.199 2.640 1.00 2.40 C ATOM 392 C LEU A 36 -4.292 4.206 1.975 1.00 41.40 C ATOM 393 O LEU A 36 -4.639 3.043 1.769 1.00 43.20 O ATOM 394 CB LEU A 36 -6.089 5.901 1.578 1.00 41.40 C ATOM 395 CG LEU A 36 -7.329 6.619 2.112 1.00 63.10 C ATOM 396 CD1 LEU A 36 -7.821 7.651 1.108 1.00 32.30 C ATOM 397 CD2 LEU A 36 -8.429 5.617 2.431 1.00 24.30 C ATOM 0 H LEU A 36 -4.512 7.124 3.041 1.00 20.30 H new ATOM 0 HA LEU A 36 -5.895 4.650 3.316 1.00 2.40 H new ATOM 0 HB2 LEU A 36 -5.465 6.626 1.056 1.00 41.40 H new ATOM 0 HB3 LEU A 36 -6.405 5.163 0.841 1.00 41.40 H new ATOM 0 HG LEU A 36 -7.058 7.137 3.032 1.00 63.10 H new ATOM 0 HD11 LEU A 36 -8.704 8.152 1.505 1.00 32.30 H new ATOM 0 HD12 LEU A 36 -7.037 8.386 0.928 1.00 32.30 H new ATOM 0 HD13 LEU A 36 -8.075 7.155 0.171 1.00 32.30 H new ATOM 0 HD21 LEU A 36 -9.304 6.145 2.810 1.00 24.30 H new ATOM 0 HD22 LEU A 36 -8.698 5.072 1.526 1.00 24.30 H new ATOM 0 HD23 LEU A 36 -8.074 4.915 3.186 1.00 24.30 H new ATOM 409 N TYR A 37 -3.093 4.673 1.641 1.00 63.20 N ATOM 410 CA TYR A 37 -2.094 3.827 0.999 1.00 54.50 C ATOM 411 C TYR A 37 -1.738 2.638 1.885 1.00 12.10 C ATOM 412 O TYR A 37 -1.794 1.488 1.450 1.00 32.00 O ATOM 413 CB TYR A 37 -0.835 4.638 0.684 1.00 62.10 C ATOM 414 CG TYR A 37 -0.848 5.266 -0.692 1.00 34.30 C ATOM 415 CD1 TYR A 37 -1.251 4.539 -1.805 1.00 40.20 C ATOM 416 CD2 TYR A 37 -0.457 6.586 -0.876 1.00 54.30 C ATOM 417 CE1 TYR A 37 -1.264 5.109 -3.063 1.00 71.20 C ATOM 418 CE2 TYR A 37 -0.467 7.164 -2.132 1.00 5.00 C ATOM 419 CZ TYR A 37 -0.871 6.422 -3.221 1.00 4.32 C ATOM 420 OH TYR A 37 -0.882 6.994 -4.473 1.00 43.40 O ATOM 0 H TYR A 37 -2.790 5.633 1.805 1.00 63.20 H new ATOM 0 HA TYR A 37 -2.517 3.450 0.068 1.00 54.50 H new ATOM 0 HB2 TYR A 37 -0.722 5.423 1.432 1.00 62.10 H new ATOM 0 HB3 TYR A 37 0.036 3.989 0.770 1.00 62.10 H new ATOM 0 HD1 TYR A 37 -1.559 3.511 -1.685 1.00 40.20 H new ATOM 0 HD2 TYR A 37 -0.140 7.170 -0.025 1.00 54.30 H new ATOM 0 HE1 TYR A 37 -1.580 4.530 -3.918 1.00 71.20 H new ATOM 0 HE2 TYR A 37 -0.160 8.192 -2.259 1.00 5.00 H new ATOM 0 HH TYR A 37 -0.955 6.292 -5.153 1.00 43.40 H new ATOM 430 N GLN A 38 -1.371 2.923 3.131 1.00 73.30 N ATOM 431 CA GLN A 38 -1.006 1.876 4.078 1.00 4.43 C ATOM 432 C GLN A 38 -2.167 0.910 4.297 1.00 13.40 C ATOM 433 O GLN A 38 -1.970 -0.302 4.384 1.00 61.50 O ATOM 434 CB GLN A 38 -0.583 2.493 5.413 1.00 52.40 C ATOM 435 CG GLN A 38 0.651 3.376 5.311 1.00 25.20 C ATOM 436 CD GLN A 38 0.781 4.333 6.479 1.00 32.10 C ATOM 437 OE1 GLN A 38 0.080 4.204 7.483 1.00 62.30 O ATOM 438 NE2 GLN A 38 1.681 5.301 6.354 1.00 20.10 N ATOM 0 H GLN A 38 -1.319 3.870 3.508 1.00 73.30 H new ATOM 0 HA GLN A 38 -0.168 1.319 3.660 1.00 4.43 H new ATOM 0 HB2 GLN A 38 -1.410 3.082 5.810 1.00 52.40 H new ATOM 0 HB3 GLN A 38 -0.390 1.694 6.128 1.00 52.40 H new ATOM 0 HG2 GLN A 38 1.540 2.747 5.261 1.00 25.20 H new ATOM 0 HG3 GLN A 38 0.610 3.945 4.382 1.00 25.20 H new ATOM 0 HE21 GLN A 38 2.241 5.370 5.504 1.00 20.10 H new ATOM 0 HE22 GLN A 38 1.813 5.975 7.108 1.00 20.10 H new ATOM 447 N HIS A 39 -3.375 1.456 4.386 1.00 22.40 N ATOM 448 CA HIS A 39 -4.568 0.643 4.595 1.00 3.23 C ATOM 449 C HIS A 39 -4.814 -0.276 3.403 1.00 62.50 C ATOM 450 O HIS A 39 -5.091 -1.464 3.569 1.00 73.20 O ATOM 451 CB HIS A 39 -5.787 1.538 4.824 1.00 33.40 C ATOM 452 CG HIS A 39 -6.028 1.864 6.265 1.00 42.30 C ATOM 453 ND1 HIS A 39 -7.234 1.642 6.896 1.00 41.20 N ATOM 454 CD2 HIS A 39 -5.207 2.396 7.202 1.00 63.20 C ATOM 455 CE1 HIS A 39 -7.146 2.027 8.157 1.00 42.30 C ATOM 456 NE2 HIS A 39 -5.927 2.487 8.368 1.00 71.30 N ATOM 0 H HIS A 39 -3.554 2.458 4.317 1.00 22.40 H new ATOM 0 HA HIS A 39 -4.408 0.027 5.480 1.00 3.23 H new ATOM 0 HB2 HIS A 39 -5.656 2.466 4.267 1.00 33.40 H new ATOM 0 HB3 HIS A 39 -6.671 1.045 4.419 1.00 33.40 H new ATOM 0 HD2 HIS A 39 -4.179 2.693 7.059 1.00 63.20 H new ATOM 0 HE1 HIS A 39 -7.937 1.974 8.890 1.00 42.30 H new ATOM 0 HE2 HIS A 39 -5.576 2.851 9.254 1.00 71.30 H new ATOM 465 N ALA A 40 -4.709 0.280 2.201 1.00 64.50 N ATOM 466 CA ALA A 40 -4.921 -0.490 0.982 1.00 52.50 C ATOM 467 C ALA A 40 -3.839 -1.551 0.807 1.00 73.40 C ATOM 468 O ALA A 40 -4.137 -2.717 0.548 1.00 21.30 O ATOM 469 CB ALA A 40 -4.955 0.435 -0.226 1.00 2.21 C ATOM 0 H ALA A 40 -4.478 1.261 2.045 1.00 64.50 H new ATOM 0 HA ALA A 40 -5.882 -0.998 1.065 1.00 52.50 H new ATOM 0 HB1 ALA A 40 -5.114 -0.153 -1.130 1.00 2.21 H new ATOM 0 HB2 ALA A 40 -5.768 1.152 -0.112 1.00 2.21 H new ATOM 0 HB3 ALA A 40 -4.008 0.969 -0.302 1.00 2.21 H new ATOM 475 N VAL A 41 -2.585 -1.139 0.953 1.00 3.14 N ATOM 476 CA VAL A 41 -1.459 -2.054 0.813 1.00 64.20 C ATOM 477 C VAL A 41 -1.519 -3.162 1.859 1.00 45.20 C ATOM 478 O VAL A 41 -1.178 -4.311 1.581 1.00 71.20 O ATOM 479 CB VAL A 41 -0.113 -1.314 0.940 1.00 22.50 C ATOM 480 CG1 VAL A 41 1.046 -2.254 0.641 1.00 32.50 C ATOM 481 CG2 VAL A 41 -0.077 -0.104 0.018 1.00 35.20 C ATOM 0 H VAL A 41 -2.323 -0.177 1.168 1.00 3.14 H new ATOM 0 HA VAL A 41 -1.530 -2.493 -0.182 1.00 64.20 H new ATOM 0 HB VAL A 41 -0.011 -0.963 1.967 1.00 22.50 H new ATOM 0 HG11 VAL A 41 1.987 -1.713 0.736 1.00 32.50 H new ATOM 0 HG12 VAL A 41 1.032 -3.085 1.347 1.00 32.50 H new ATOM 0 HG13 VAL A 41 0.950 -2.639 -0.374 1.00 32.50 H new ATOM 0 HG21 VAL A 41 0.881 0.405 0.123 1.00 35.20 H new ATOM 0 HG22 VAL A 41 -0.204 -0.429 -1.014 1.00 35.20 H new ATOM 0 HG23 VAL A 41 -0.882 0.581 0.285 1.00 35.20 H new ATOM 491 N GLN A 42 -1.957 -2.808 3.063 1.00 64.10 N ATOM 492 CA GLN A 42 -2.062 -3.772 4.151 1.00 64.10 C ATOM 493 C GLN A 42 -3.052 -4.878 3.805 1.00 41.30 C ATOM 494 O GLN A 42 -2.854 -6.039 4.165 1.00 14.20 O ATOM 495 CB GLN A 42 -2.493 -3.071 5.442 1.00 51.50 C ATOM 496 CG GLN A 42 -1.354 -2.368 6.161 1.00 74.20 C ATOM 497 CD GLN A 42 -0.850 -3.150 7.359 1.00 52.40 C ATOM 498 OE1 GLN A 42 -1.629 -3.777 8.078 1.00 12.20 O ATOM 499 NE2 GLN A 42 0.459 -3.116 7.580 1.00 4.51 N ATOM 0 H GLN A 42 -2.245 -1.861 3.309 1.00 64.10 H new ATOM 0 HA GLN A 42 -1.080 -4.222 4.300 1.00 64.10 H new ATOM 0 HB2 GLN A 42 -3.269 -2.342 5.208 1.00 51.50 H new ATOM 0 HB3 GLN A 42 -2.937 -3.806 6.114 1.00 51.50 H new ATOM 0 HG2 GLN A 42 -0.532 -2.209 5.463 1.00 74.20 H new ATOM 0 HG3 GLN A 42 -1.689 -1.384 6.489 1.00 74.20 H new ATOM 0 HE21 GLN A 42 1.068 -2.583 6.958 1.00 4.51 H new ATOM 0 HE22 GLN A 42 0.856 -3.623 8.371 1.00 4.51 H new ATOM 508 N TYR A 43 -4.120 -4.511 3.104 1.00 24.10 N ATOM 509 CA TYR A 43 -5.142 -5.474 2.708 1.00 75.50 C ATOM 510 C TYR A 43 -4.617 -6.413 1.629 1.00 44.10 C ATOM 511 O TYR A 43 -4.981 -7.588 1.583 1.00 20.10 O ATOM 512 CB TYR A 43 -6.390 -4.747 2.205 1.00 74.10 C ATOM 513 CG TYR A 43 -7.361 -4.376 3.305 1.00 31.00 C ATOM 514 CD1 TYR A 43 -8.015 -5.357 4.040 1.00 3.11 C ATOM 515 CD2 TYR A 43 -7.621 -3.047 3.608 1.00 12.10 C ATOM 516 CE1 TYR A 43 -8.902 -5.023 5.045 1.00 21.20 C ATOM 517 CE2 TYR A 43 -8.506 -2.704 4.612 1.00 43.20 C ATOM 518 CZ TYR A 43 -9.144 -3.696 5.328 1.00 10.20 C ATOM 519 OH TYR A 43 -10.026 -3.358 6.328 1.00 55.40 O ATOM 0 H TYR A 43 -4.300 -3.555 2.799 1.00 24.10 H new ATOM 0 HA TYR A 43 -5.404 -6.068 3.584 1.00 75.50 H new ATOM 0 HB2 TYR A 43 -6.086 -3.841 1.680 1.00 74.10 H new ATOM 0 HB3 TYR A 43 -6.901 -5.380 1.479 1.00 74.10 H new ATOM 0 HD1 TYR A 43 -7.827 -6.398 3.822 1.00 3.11 H new ATOM 0 HD2 TYR A 43 -7.123 -2.268 3.050 1.00 12.10 H new ATOM 0 HE1 TYR A 43 -9.403 -5.798 5.606 1.00 21.20 H new ATOM 0 HE2 TYR A 43 -8.697 -1.665 4.835 1.00 43.20 H new ATOM 0 HH TYR A 43 -10.081 -2.382 6.399 1.00 55.40 H new ATOM 529 N PHE A 44 -3.756 -5.887 0.765 1.00 31.20 N ATOM 530 CA PHE A 44 -3.178 -6.677 -0.316 1.00 62.00 C ATOM 531 C PHE A 44 -2.424 -7.884 0.235 1.00 53.30 C ATOM 532 O PHE A 44 -2.668 -9.019 -0.171 1.00 11.20 O ATOM 533 CB PHE A 44 -2.237 -5.810 -1.154 1.00 32.30 C ATOM 534 CG PHE A 44 -2.868 -5.280 -2.409 1.00 60.20 C ATOM 535 CD1 PHE A 44 -3.463 -6.140 -3.318 1.00 71.20 C ATOM 536 CD2 PHE A 44 -2.867 -3.921 -2.680 1.00 61.20 C ATOM 537 CE1 PHE A 44 -4.045 -5.655 -4.474 1.00 53.40 C ATOM 538 CE2 PHE A 44 -3.447 -3.430 -3.835 1.00 72.00 C ATOM 539 CZ PHE A 44 -4.037 -4.298 -4.733 1.00 33.10 C ATOM 0 H PHE A 44 -3.443 -4.917 0.792 1.00 31.20 H new ATOM 0 HA PHE A 44 -3.990 -7.039 -0.947 1.00 62.00 H new ATOM 0 HB2 PHE A 44 -1.892 -4.972 -0.548 1.00 32.30 H new ATOM 0 HB3 PHE A 44 -1.356 -6.395 -1.419 1.00 32.30 H new ATOM 0 HD1 PHE A 44 -3.472 -7.202 -3.121 1.00 71.20 H new ATOM 0 HD2 PHE A 44 -2.408 -3.238 -1.981 1.00 61.20 H new ATOM 0 HE1 PHE A 44 -4.506 -6.336 -5.174 1.00 53.40 H new ATOM 0 HE2 PHE A 44 -3.439 -2.369 -4.035 1.00 72.00 H new ATOM 0 HZ PHE A 44 -4.491 -3.917 -5.636 1.00 33.10 H new ATOM 549 N LEU A 45 -1.506 -7.629 1.163 1.00 14.40 N ATOM 550 CA LEU A 45 -0.716 -8.693 1.771 1.00 72.20 C ATOM 551 C LEU A 45 -1.600 -9.630 2.588 1.00 72.10 C ATOM 552 O LEU A 45 -1.307 -10.818 2.719 1.00 74.40 O ATOM 553 CB LEU A 45 0.378 -8.100 2.660 1.00 24.20 C ATOM 554 CG LEU A 45 1.666 -7.714 1.931 1.00 21.40 C ATOM 555 CD1 LEU A 45 2.382 -8.955 1.421 1.00 21.30 C ATOM 556 CD2 LEU A 45 1.365 -6.762 0.785 1.00 51.20 C ATOM 0 H LEU A 45 -1.291 -6.694 1.510 1.00 14.40 H new ATOM 0 HA LEU A 45 -0.252 -9.269 0.970 1.00 72.20 H new ATOM 0 HB2 LEU A 45 -0.019 -7.215 3.157 1.00 24.20 H new ATOM 0 HB3 LEU A 45 0.622 -8.821 3.440 1.00 24.20 H new ATOM 0 HG LEU A 45 2.322 -7.205 2.637 1.00 21.40 H new ATOM 0 HD11 LEU A 45 3.296 -8.661 0.905 1.00 21.30 H new ATOM 0 HD12 LEU A 45 2.632 -9.602 2.262 1.00 21.30 H new ATOM 0 HD13 LEU A 45 1.732 -9.492 0.730 1.00 21.30 H new ATOM 0 HD21 LEU A 45 2.293 -6.498 0.278 1.00 51.20 H new ATOM 0 HD22 LEU A 45 0.690 -7.245 0.078 1.00 51.20 H new ATOM 0 HD23 LEU A 45 0.896 -5.859 1.176 1.00 51.20 H new ATOM 568 N HIS A 46 -2.683 -9.087 3.136 1.00 43.00 N ATOM 569 CA HIS A 46 -3.609 -9.875 3.941 1.00 22.10 C ATOM 570 C HIS A 46 -4.177 -11.040 3.138 1.00 4.14 C ATOM 571 O HIS A 46 -4.122 -12.191 3.571 1.00 5.32 O ATOM 572 CB HIS A 46 -4.748 -8.993 4.456 1.00 4.42 C ATOM 573 CG HIS A 46 -5.541 -9.621 5.559 1.00 43.30 C ATOM 574 ND1 HIS A 46 -6.523 -10.553 5.525 1.00 50.30 N flip ATOM 575 CD2 HIS A 46 -5.360 -9.305 6.890 1.00 53.20 C flip ATOM 576 CE1 HIS A 46 -6.914 -10.779 6.822 1.00 60.40 C flip ATOM 577 NE2 HIS A 46 -6.197 -10.016 7.626 1.00 32.40 N flip ATOM 0 H HIS A 46 -2.940 -8.105 3.037 1.00 43.00 H new ATOM 0 HA HIS A 46 -3.057 -10.279 4.790 1.00 22.10 H new ATOM 0 HB2 HIS A 46 -4.334 -8.049 4.810 1.00 4.42 H new ATOM 0 HB3 HIS A 46 -5.417 -8.757 3.628 1.00 4.42 H new ATOM 0 HD2 HIS A 46 -4.647 -8.589 7.271 1.00 53.20 H new ATOM 0 HE1 HIS A 46 -7.684 -11.469 7.134 1.00 60.40 H new ATOM 0 HE2 HIS A 46 -6.275 -9.981 8.642 1.00 32.40 H new ATOM 586 N VAL A 47 -4.723 -10.734 1.965 1.00 14.20 N ATOM 587 CA VAL A 47 -5.303 -11.757 1.102 1.00 14.30 C ATOM 588 C VAL A 47 -4.225 -12.681 0.544 1.00 3.45 C ATOM 589 O VAL A 47 -4.455 -13.872 0.364 1.00 11.10 O ATOM 590 CB VAL A 47 -6.082 -11.130 -0.069 1.00 64.00 C ATOM 591 CG1 VAL A 47 -7.394 -10.535 0.419 1.00 31.20 C ATOM 592 CG2 VAL A 47 -5.237 -10.075 -0.768 1.00 45.40 C ATOM 0 H VAL A 47 -4.776 -9.787 1.591 1.00 14.20 H new ATOM 0 HA VAL A 47 -5.992 -12.336 1.717 1.00 14.30 H new ATOM 0 HB VAL A 47 -6.312 -11.915 -0.790 1.00 64.00 H new ATOM 0 HG11 VAL A 47 -7.930 -10.097 -0.423 1.00 31.20 H new ATOM 0 HG12 VAL A 47 -8.004 -11.318 0.869 1.00 31.20 H new ATOM 0 HG13 VAL A 47 -7.190 -9.763 1.161 1.00 31.20 H new ATOM 0 HG21 VAL A 47 -5.804 -9.643 -1.593 1.00 45.40 H new ATOM 0 HG22 VAL A 47 -4.974 -9.291 -0.058 1.00 45.40 H new ATOM 0 HG23 VAL A 47 -4.327 -10.535 -1.154 1.00 45.40 H new ATOM 602 N VAL A 48 -3.052 -12.117 0.273 1.00 11.50 N ATOM 603 CA VAL A 48 -1.944 -12.884 -0.264 1.00 31.20 C ATOM 604 C VAL A 48 -1.416 -13.876 0.768 1.00 42.30 C ATOM 605 O VAL A 48 -1.010 -14.989 0.425 1.00 2.33 O ATOM 606 CB VAL A 48 -0.790 -11.970 -0.720 1.00 73.10 C ATOM 607 CG1 VAL A 48 0.308 -12.788 -1.399 1.00 12.20 C ATOM 608 CG2 VAL A 48 -1.301 -10.886 -1.647 1.00 22.20 C ATOM 0 H VAL A 48 -2.848 -11.128 0.419 1.00 11.50 H new ATOM 0 HA VAL A 48 -2.325 -13.427 -1.129 1.00 31.20 H new ATOM 0 HB VAL A 48 -0.364 -11.491 0.162 1.00 73.10 H new ATOM 0 HG11 VAL A 48 1.114 -12.125 -1.714 1.00 12.20 H new ATOM 0 HG12 VAL A 48 0.698 -13.526 -0.698 1.00 12.20 H new ATOM 0 HG13 VAL A 48 -0.104 -13.297 -2.270 1.00 12.20 H new ATOM 0 HG21 VAL A 48 -0.471 -10.252 -1.957 1.00 22.20 H new ATOM 0 HG22 VAL A 48 -1.756 -11.343 -2.525 1.00 22.20 H new ATOM 0 HG23 VAL A 48 -2.044 -10.282 -1.126 1.00 22.20 H new ATOM 618 N LYS A 49 -1.420 -13.471 2.032 1.00 72.20 N ATOM 619 CA LYS A 49 -0.945 -14.320 3.114 1.00 22.40 C ATOM 620 C LYS A 49 -1.964 -15.411 3.442 1.00 51.10 C ATOM 621 O LYS A 49 -1.600 -16.511 3.865 1.00 2.43 O ATOM 622 CB LYS A 49 -0.650 -13.484 4.361 1.00 31.40 C ATOM 623 CG LYS A 49 0.833 -13.268 4.613 1.00 50.40 C ATOM 624 CD LYS A 49 1.300 -11.925 4.072 1.00 63.40 C ATOM 625 CE LYS A 49 1.158 -10.829 5.110 1.00 43.40 C ATOM 626 NZ LYS A 49 1.780 -11.204 6.410 1.00 34.40 N ATOM 0 H LYS A 49 -1.749 -12.554 2.333 1.00 72.20 H new ATOM 0 HA LYS A 49 -0.023 -14.799 2.785 1.00 22.40 H new ATOM 0 HB2 LYS A 49 -1.138 -12.514 4.262 1.00 31.40 H new ATOM 0 HB3 LYS A 49 -1.090 -13.975 5.229 1.00 31.40 H new ATOM 0 HG2 LYS A 49 1.033 -13.320 5.683 1.00 50.40 H new ATOM 0 HG3 LYS A 49 1.404 -14.069 4.143 1.00 50.40 H new ATOM 0 HD2 LYS A 49 2.342 -11.999 3.760 1.00 63.40 H new ATOM 0 HD3 LYS A 49 0.720 -11.666 3.186 1.00 63.40 H new ATOM 0 HE2 LYS A 49 1.621 -9.915 4.737 1.00 43.40 H new ATOM 0 HE3 LYS A 49 0.101 -10.611 5.264 1.00 43.40 H new ATOM 0 HZ1 LYS A 49 2.150 -10.351 6.876 1.00 34.40 H new ATOM 0 HZ2 LYS A 49 1.066 -11.650 7.021 1.00 34.40 H new ATOM 0 HZ3 LYS A 49 2.559 -11.873 6.242 1.00 34.40 H new ATOM 640 N TYR A 50 -3.240 -15.097 3.244 1.00 61.40 N ATOM 641 CA TYR A 50 -4.311 -16.047 3.519 1.00 24.30 C ATOM 642 C TYR A 50 -4.785 -16.721 2.235 1.00 54.20 C ATOM 643 O TYR A 50 -4.480 -17.881 1.985 1.00 74.50 O ATOM 644 CB TYR A 50 -5.483 -15.342 4.201 1.00 54.10 C ATOM 645 CG TYR A 50 -5.206 -14.954 5.636 1.00 55.20 C ATOM 646 CD1 TYR A 50 -4.176 -14.075 5.952 1.00 61.40 C ATOM 647 CD2 TYR A 50 -5.980 -15.458 6.674 1.00 64.40 C ATOM 648 CE1 TYR A 50 -3.916 -13.723 7.263 1.00 75.50 C ATOM 649 CE2 TYR A 50 -5.732 -15.102 7.986 1.00 55.50 C ATOM 650 CZ TYR A 50 -4.700 -14.234 8.276 1.00 73.40 C ATOM 651 OH TYR A 50 -4.446 -13.886 9.582 1.00 63.40 O ATOM 0 H TYR A 50 -3.557 -14.193 2.894 1.00 61.40 H new ATOM 0 HA TYR A 50 -3.919 -16.814 4.187 1.00 24.30 H new ATOM 0 HB2 TYR A 50 -5.737 -14.446 3.634 1.00 54.10 H new ATOM 0 HB3 TYR A 50 -6.355 -15.995 4.172 1.00 54.10 H new ATOM 0 HD1 TYR A 50 -3.569 -13.661 5.160 1.00 61.40 H new ATOM 0 HD2 TYR A 50 -6.788 -16.139 6.452 1.00 64.40 H new ATOM 0 HE1 TYR A 50 -3.103 -13.051 7.493 1.00 75.50 H new ATOM 0 HE2 TYR A 50 -6.344 -15.502 8.781 1.00 55.50 H new ATOM 0 HH TYR A 50 -5.090 -14.332 10.171 1.00 63.40 H new ATOM 661 N GLU A 51 -5.535 -15.983 1.426 1.00 4.14 N ATOM 662 CA GLU A 51 -6.048 -16.505 0.173 1.00 54.30 C ATOM 663 C GLU A 51 -4.912 -16.866 -0.776 1.00 23.30 C ATOM 664 O GLU A 51 -4.653 -18.041 -1.028 1.00 61.20 O ATOM 665 CB GLU A 51 -6.979 -15.477 -0.491 1.00 15.20 C ATOM 666 CG GLU A 51 -7.582 -15.960 -1.796 1.00 54.00 C ATOM 667 CD GLU A 51 -7.628 -14.887 -2.859 1.00 23.50 C ATOM 668 OE1 GLU A 51 -8.035 -13.752 -2.530 1.00 10.20 O ATOM 669 OE2 GLU A 51 -7.255 -15.161 -4.013 1.00 72.10 O ATOM 0 H GLU A 51 -5.800 -15.017 1.620 1.00 4.14 H new ATOM 0 HA GLU A 51 -6.613 -17.411 0.392 1.00 54.30 H new ATOM 0 HB2 GLU A 51 -7.783 -15.227 0.201 1.00 15.20 H new ATOM 0 HB3 GLU A 51 -6.421 -14.559 -0.676 1.00 15.20 H new ATOM 0 HG2 GLU A 51 -7.003 -16.806 -2.166 1.00 54.00 H new ATOM 0 HG3 GLU A 51 -8.593 -16.323 -1.610 1.00 54.00 H new ATOM 676 N ALA A 52 -4.235 -15.851 -1.298 1.00 35.00 N ATOM 677 CA ALA A 52 -3.130 -16.066 -2.223 1.00 25.40 C ATOM 678 C ALA A 52 -3.582 -16.820 -3.465 1.00 74.10 C ATOM 679 O ALA A 52 -3.654 -18.046 -3.467 1.00 42.20 O ATOM 680 CB ALA A 52 -2.006 -16.819 -1.529 1.00 74.50 C ATOM 0 H ALA A 52 -4.432 -14.871 -1.096 1.00 35.00 H new ATOM 0 HA ALA A 52 -2.764 -15.090 -2.541 1.00 25.40 H new ATOM 0 HB1 ALA A 52 -1.185 -16.974 -2.229 1.00 74.50 H new ATOM 0 HB2 ALA A 52 -1.651 -16.239 -0.677 1.00 74.50 H new ATOM 0 HB3 ALA A 52 -2.375 -17.784 -1.182 1.00 74.50 H new ATOM 686 N GLN A 53 -3.888 -16.069 -4.520 1.00 11.20 N ATOM 687 CA GLN A 53 -4.336 -16.669 -5.772 1.00 14.10 C ATOM 688 C GLN A 53 -3.276 -17.601 -6.341 1.00 70.20 C ATOM 689 O GLN A 53 -3.481 -18.813 -6.419 1.00 22.40 O ATOM 690 CB GLN A 53 -4.676 -15.578 -6.795 1.00 52.00 C ATOM 691 CG GLN A 53 -5.861 -15.921 -7.676 1.00 65.10 C ATOM 692 CD GLN A 53 -5.790 -15.256 -9.042 1.00 55.40 C ATOM 693 OE1 GLN A 53 -5.322 -15.858 -10.009 1.00 34.00 O ATOM 694 NE2 GLN A 53 -6.240 -14.016 -9.119 1.00 54.20 N ATOM 0 H GLN A 53 -3.834 -15.050 -4.533 1.00 11.20 H new ATOM 0 HA GLN A 53 -5.232 -17.254 -5.563 1.00 14.10 H new ATOM 0 HB2 GLN A 53 -4.884 -14.648 -6.266 1.00 52.00 H new ATOM 0 HB3 GLN A 53 -3.805 -15.398 -7.425 1.00 52.00 H new ATOM 0 HG2 GLN A 53 -5.911 -17.002 -7.805 1.00 65.10 H new ATOM 0 HG3 GLN A 53 -6.780 -15.617 -7.176 1.00 65.10 H new ATOM 0 HE21 GLN A 53 -6.619 -13.559 -8.290 1.00 54.20 H new ATOM 0 HE22 GLN A 53 -6.208 -13.516 -10.008 1.00 54.20 H new ATOM 703 N GLY A 54 -2.143 -17.035 -6.740 1.00 24.20 N ATOM 704 CA GLY A 54 -1.066 -17.828 -7.296 1.00 61.50 C ATOM 705 C GLY A 54 0.188 -17.015 -7.556 1.00 62.30 C ATOM 706 O GLY A 54 0.654 -16.295 -6.681 1.00 23.40 O ATOM 0 H GLY A 54 -1.952 -16.034 -6.687 1.00 24.20 H new ATOM 0 HA2 GLY A 54 -0.830 -18.643 -6.612 1.00 61.50 H new ATOM 0 HA3 GLY A 54 -1.399 -18.282 -8.229 1.00 61.50 H new ATOM 710 N ASP A 55 0.717 -17.122 -8.769 1.00 52.30 N ATOM 711 CA ASP A 55 1.922 -16.386 -9.142 1.00 4.41 C ATOM 712 C ASP A 55 1.564 -15.066 -9.813 1.00 34.40 C ATOM 713 O ASP A 55 2.289 -14.081 -9.696 1.00 45.40 O ATOM 714 CB ASP A 55 2.784 -17.231 -10.083 1.00 33.20 C ATOM 715 CG ASP A 55 3.630 -18.240 -9.338 1.00 34.20 C ATOM 716 OD1 ASP A 55 3.135 -19.349 -9.054 1.00 73.40 O ATOM 717 OD2 ASP A 55 4.802 -17.928 -9.033 1.00 11.30 O ATOM 0 H ASP A 55 0.333 -17.709 -9.510 1.00 52.30 H new ATOM 0 HA ASP A 55 2.486 -16.171 -8.234 1.00 4.41 H new ATOM 0 HB2 ASP A 55 2.140 -17.753 -10.791 1.00 33.20 H new ATOM 0 HB3 ASP A 55 3.432 -16.576 -10.665 1.00 33.20 H new ATOM 722 N LYS A 56 0.433 -15.048 -10.520 1.00 61.10 N ATOM 723 CA LYS A 56 -0.011 -13.849 -11.205 1.00 74.10 C ATOM 724 C LYS A 56 -0.515 -12.804 -10.210 1.00 51.10 C ATOM 725 O LYS A 56 -0.125 -11.636 -10.266 1.00 73.20 O ATOM 726 CB LYS A 56 -1.123 -14.186 -12.202 1.00 35.50 C ATOM 727 CG LYS A 56 -0.606 -14.685 -13.546 1.00 35.30 C ATOM 728 CD LYS A 56 -0.444 -13.542 -14.534 1.00 53.10 C ATOM 729 CE LYS A 56 -0.773 -13.983 -15.954 1.00 35.30 C ATOM 730 NZ LYS A 56 -1.311 -12.853 -16.770 1.00 33.40 N ATOM 0 H LYS A 56 -0.186 -15.852 -10.629 1.00 61.10 H new ATOM 0 HA LYS A 56 0.843 -13.436 -11.742 1.00 74.10 H new ATOM 0 HB2 LYS A 56 -1.772 -14.946 -11.767 1.00 35.50 H new ATOM 0 HB3 LYS A 56 -1.735 -13.299 -12.364 1.00 35.50 H new ATOM 0 HG2 LYS A 56 0.352 -15.186 -13.406 1.00 35.30 H new ATOM 0 HG3 LYS A 56 -1.296 -15.424 -13.952 1.00 35.30 H new ATOM 0 HD2 LYS A 56 -1.096 -12.717 -14.248 1.00 53.10 H new ATOM 0 HD3 LYS A 56 0.579 -13.168 -14.495 1.00 53.10 H new ATOM 0 HE2 LYS A 56 0.124 -14.381 -16.429 1.00 35.30 H new ATOM 0 HE3 LYS A 56 -1.504 -14.791 -15.925 1.00 35.30 H new ATOM 0 HZ1 LYS A 56 -1.524 -13.189 -17.731 1.00 33.40 H new ATOM 0 HZ2 LYS A 56 -2.180 -12.490 -16.330 1.00 33.40 H new ATOM 0 HZ3 LYS A 56 -0.604 -12.092 -16.818 1.00 33.40 H new ATOM 744 N ALA A 57 -1.381 -13.238 -9.300 1.00 12.10 N ATOM 745 CA ALA A 57 -1.943 -12.342 -8.295 1.00 41.10 C ATOM 746 C ALA A 57 -0.857 -11.824 -7.360 1.00 0.01 C ATOM 747 O ALA A 57 -0.750 -10.629 -7.113 1.00 24.30 O ATOM 748 CB ALA A 57 -3.031 -13.047 -7.502 1.00 13.20 C ATOM 0 H ALA A 57 -1.708 -14.202 -9.237 1.00 12.10 H new ATOM 0 HA ALA A 57 -2.384 -11.489 -8.811 1.00 41.10 H new ATOM 0 HB1 ALA A 57 -3.439 -12.364 -6.757 1.00 13.20 H new ATOM 0 HB2 ALA A 57 -3.826 -13.364 -8.177 1.00 13.20 H new ATOM 0 HB3 ALA A 57 -2.610 -13.919 -7.002 1.00 13.20 H new ATOM 754 N LYS A 58 -0.046 -12.741 -6.842 1.00 22.00 N ATOM 755 CA LYS A 58 1.035 -12.379 -5.933 1.00 12.10 C ATOM 756 C LYS A 58 2.014 -11.422 -6.606 1.00 1.44 C ATOM 757 O LYS A 58 2.470 -10.458 -5.997 1.00 14.50 O ATOM 758 CB LYS A 58 1.776 -13.639 -5.461 1.00 44.40 C ATOM 759 CG LYS A 58 1.187 -14.251 -4.201 1.00 13.30 C ATOM 760 CD LYS A 58 1.548 -15.719 -4.075 1.00 44.10 C ATOM 761 CE LYS A 58 1.838 -16.101 -2.633 1.00 74.00 C ATOM 762 NZ LYS A 58 2.492 -17.431 -2.532 1.00 12.10 N ATOM 0 H LYS A 58 -0.117 -13.740 -7.036 1.00 22.00 H new ATOM 0 HA LYS A 58 0.599 -11.876 -5.070 1.00 12.10 H new ATOM 0 HB2 LYS A 58 1.759 -14.382 -6.259 1.00 44.40 H new ATOM 0 HB3 LYS A 58 2.822 -13.390 -5.280 1.00 44.40 H new ATOM 0 HG2 LYS A 58 1.551 -13.709 -3.328 1.00 13.30 H new ATOM 0 HG3 LYS A 58 0.103 -14.142 -4.215 1.00 13.30 H new ATOM 0 HD2 LYS A 58 0.730 -16.330 -4.456 1.00 44.10 H new ATOM 0 HD3 LYS A 58 2.421 -15.934 -4.692 1.00 44.10 H new ATOM 0 HE2 LYS A 58 2.480 -15.346 -2.180 1.00 74.00 H new ATOM 0 HE3 LYS A 58 0.907 -16.110 -2.066 1.00 74.00 H new ATOM 0 HZ1 LYS A 58 2.673 -17.654 -1.532 1.00 12.10 H new ATOM 0 HZ2 LYS A 58 1.869 -18.156 -2.941 1.00 12.10 H new ATOM 0 HZ3 LYS A 58 3.393 -17.415 -3.051 1.00 12.10 H new ATOM 776 N GLN A 59 2.341 -11.706 -7.863 1.00 52.30 N ATOM 777 CA GLN A 59 3.264 -10.865 -8.619 1.00 35.10 C ATOM 778 C GLN A 59 2.659 -9.498 -8.896 1.00 70.40 C ATOM 779 O GLN A 59 3.371 -8.497 -8.952 1.00 63.20 O ATOM 780 CB GLN A 59 3.642 -11.550 -9.936 1.00 24.00 C ATOM 781 CG GLN A 59 4.638 -10.760 -10.769 1.00 61.50 C ATOM 782 CD GLN A 59 6.063 -10.923 -10.287 1.00 41.40 C ATOM 783 OE1 GLN A 59 6.640 -12.012 -10.378 1.00 52.20 O ATOM 784 NE2 GLN A 59 6.647 -9.850 -9.772 1.00 63.20 N ATOM 0 H GLN A 59 1.982 -12.509 -8.379 1.00 52.30 H new ATOM 0 HA GLN A 59 4.162 -10.723 -8.018 1.00 35.10 H new ATOM 0 HB2 GLN A 59 4.062 -12.532 -9.718 1.00 24.00 H new ATOM 0 HB3 GLN A 59 2.738 -11.713 -10.523 1.00 24.00 H new ATOM 0 HG2 GLN A 59 4.572 -11.081 -11.808 1.00 61.50 H new ATOM 0 HG3 GLN A 59 4.369 -9.704 -10.744 1.00 61.50 H new ATOM 0 HE21 GLN A 59 6.136 -8.969 -9.715 1.00 63.20 H new ATOM 0 HE22 GLN A 59 7.607 -9.905 -9.433 1.00 63.20 H new ATOM 793 N SER A 60 1.344 -9.467 -9.070 1.00 24.30 N ATOM 794 CA SER A 60 0.642 -8.217 -9.342 1.00 31.40 C ATOM 795 C SER A 60 0.504 -7.383 -8.073 1.00 52.30 C ATOM 796 O SER A 60 0.899 -6.217 -8.038 1.00 30.00 O ATOM 797 CB SER A 60 -0.741 -8.505 -9.929 1.00 72.30 C ATOM 798 OG SER A 60 -0.660 -8.739 -11.321 1.00 65.10 O ATOM 0 H SER A 60 0.743 -10.290 -9.028 1.00 24.30 H new ATOM 0 HA SER A 60 1.227 -7.650 -10.066 1.00 31.40 H new ATOM 0 HB2 SER A 60 -1.176 -9.374 -9.435 1.00 72.30 H new ATOM 0 HB3 SER A 60 -1.405 -7.662 -9.736 1.00 72.30 H new ATOM 0 HG SER A 60 -0.502 -9.692 -11.484 1.00 65.10 H new ATOM 804 N ILE A 61 -0.058 -7.987 -7.031 1.00 32.20 N ATOM 805 CA ILE A 61 -0.248 -7.299 -5.759 1.00 35.10 C ATOM 806 C ILE A 61 1.081 -6.816 -5.190 1.00 44.40 C ATOM 807 O ILE A 61 1.165 -5.727 -4.621 1.00 71.30 O ATOM 808 CB ILE A 61 -0.936 -8.210 -4.724 1.00 74.10 C ATOM 809 CG1 ILE A 61 -0.165 -9.524 -4.576 1.00 60.00 C ATOM 810 CG2 ILE A 61 -2.378 -8.477 -5.128 1.00 31.40 C ATOM 811 CD1 ILE A 61 0.755 -9.553 -3.375 1.00 62.40 C ATOM 0 H ILE A 61 -0.390 -8.951 -7.042 1.00 32.20 H new ATOM 0 HA ILE A 61 -0.888 -6.440 -5.958 1.00 35.10 H new ATOM 0 HB ILE A 61 -0.939 -7.702 -3.760 1.00 74.10 H new ATOM 0 HG12 ILE A 61 -0.876 -10.346 -4.499 1.00 60.00 H new ATOM 0 HG13 ILE A 61 0.423 -9.695 -5.478 1.00 60.00 H new ATOM 0 HG21 ILE A 61 -2.850 -9.122 -4.387 1.00 31.40 H new ATOM 0 HG22 ILE A 61 -2.920 -7.533 -5.186 1.00 31.40 H new ATOM 0 HG23 ILE A 61 -2.398 -8.967 -6.101 1.00 31.40 H new ATOM 0 HD11 ILE A 61 1.269 -10.514 -3.333 1.00 62.40 H new ATOM 0 HD12 ILE A 61 1.490 -8.752 -3.460 1.00 62.40 H new ATOM 0 HD13 ILE A 61 0.171 -9.414 -2.465 1.00 62.40 H new ATOM 823 N ARG A 62 2.119 -7.632 -5.346 1.00 62.40 N ATOM 824 CA ARG A 62 3.445 -7.286 -4.848 1.00 12.10 C ATOM 825 C ARG A 62 3.963 -6.017 -5.516 1.00 25.10 C ATOM 826 O ARG A 62 4.348 -5.061 -4.842 1.00 13.40 O ATOM 827 CB ARG A 62 4.419 -8.436 -5.089 1.00 64.40 C ATOM 828 CG ARG A 62 4.454 -9.449 -3.957 1.00 64.10 C ATOM 829 CD ARG A 62 5.869 -9.935 -3.687 1.00 42.50 C ATOM 830 NE ARG A 62 6.135 -11.218 -4.325 1.00 32.20 N ATOM 831 CZ ARG A 62 7.359 -11.697 -4.547 1.00 70.10 C ATOM 832 NH1 ARG A 62 8.431 -11.002 -4.184 1.00 22.20 N ATOM 833 NH2 ARG A 62 7.517 -12.880 -5.132 1.00 61.30 N ATOM 0 H ARG A 62 2.067 -8.537 -5.813 1.00 62.40 H new ATOM 0 HA ARG A 62 3.367 -7.105 -3.776 1.00 12.10 H new ATOM 0 HB2 ARG A 62 4.146 -8.945 -6.013 1.00 64.40 H new ATOM 0 HB3 ARG A 62 5.420 -8.029 -5.233 1.00 64.40 H new ATOM 0 HG2 ARG A 62 4.044 -9.000 -3.053 1.00 64.10 H new ATOM 0 HG3 ARG A 62 3.818 -10.298 -4.208 1.00 64.10 H new ATOM 0 HD2 ARG A 62 6.582 -9.195 -4.049 1.00 42.50 H new ATOM 0 HD3 ARG A 62 6.023 -10.026 -2.612 1.00 42.50 H new ATOM 0 HE ARG A 62 5.338 -11.783 -4.619 1.00 32.20 H new ATOM 0 HH11 ARG A 62 8.321 -10.094 -3.732 1.00 22.20 H new ATOM 0 HH12 ARG A 62 9.364 -11.376 -4.358 1.00 22.20 H new ATOM 0 HH21 ARG A 62 6.701 -13.423 -5.412 1.00 61.30 H new ATOM 0 HH22 ARG A 62 8.455 -13.244 -5.301 1.00 61.30 H new ATOM 847 N ALA A 63 3.971 -6.014 -6.845 1.00 34.20 N ATOM 848 CA ALA A 63 4.443 -4.861 -7.604 1.00 41.30 C ATOM 849 C ALA A 63 3.617 -3.620 -7.284 1.00 12.20 C ATOM 850 O ALA A 63 4.125 -2.500 -7.320 1.00 1.44 O ATOM 851 CB ALA A 63 4.397 -5.159 -9.095 1.00 61.30 C ATOM 0 H ALA A 63 3.656 -6.796 -7.419 1.00 34.20 H new ATOM 0 HA ALA A 63 5.475 -4.662 -7.316 1.00 41.30 H new ATOM 0 HB1 ALA A 63 4.752 -4.291 -9.651 1.00 61.30 H new ATOM 0 HB2 ALA A 63 5.034 -6.016 -9.315 1.00 61.30 H new ATOM 0 HB3 ALA A 63 3.372 -5.384 -9.390 1.00 61.30 H new ATOM 857 N LYS A 64 2.342 -3.828 -6.973 1.00 40.40 N ATOM 858 CA LYS A 64 1.446 -2.724 -6.647 1.00 23.30 C ATOM 859 C LYS A 64 1.676 -2.240 -5.219 1.00 53.10 C ATOM 860 O LYS A 64 1.519 -1.056 -4.922 1.00 43.10 O ATOM 861 CB LYS A 64 -0.012 -3.155 -6.823 1.00 14.30 C ATOM 862 CG LYS A 64 -0.551 -2.916 -8.224 1.00 43.30 C ATOM 863 CD LYS A 64 -1.542 -3.995 -8.630 1.00 63.40 C ATOM 864 CE LYS A 64 -2.694 -3.418 -9.436 1.00 22.20 C ATOM 865 NZ LYS A 64 -3.867 -3.095 -8.577 1.00 4.34 N ATOM 0 H LYS A 64 1.906 -4.750 -6.940 1.00 40.40 H new ATOM 0 HA LYS A 64 1.660 -1.901 -7.329 1.00 23.30 H new ATOM 0 HB2 LYS A 64 -0.100 -4.215 -6.584 1.00 14.30 H new ATOM 0 HB3 LYS A 64 -0.631 -2.614 -6.107 1.00 14.30 H new ATOM 0 HG2 LYS A 64 -1.035 -1.940 -8.267 1.00 43.30 H new ATOM 0 HG3 LYS A 64 0.276 -2.893 -8.934 1.00 43.30 H new ATOM 0 HD2 LYS A 64 -1.031 -4.757 -9.218 1.00 63.40 H new ATOM 0 HD3 LYS A 64 -1.931 -4.487 -7.739 1.00 63.40 H new ATOM 0 HE2 LYS A 64 -2.361 -2.516 -9.950 1.00 22.20 H new ATOM 0 HE3 LYS A 64 -2.992 -4.131 -10.204 1.00 22.20 H new ATOM 0 HZ1 LYS A 64 -4.631 -2.704 -9.165 1.00 4.34 H new ATOM 0 HZ2 LYS A 64 -4.201 -3.960 -8.106 1.00 4.34 H new ATOM 0 HZ3 LYS A 64 -3.590 -2.395 -7.860 1.00 4.34 H new ATOM 879 N CYS A 65 2.051 -3.163 -4.339 1.00 43.20 N ATOM 880 CA CYS A 65 2.302 -2.830 -2.942 1.00 54.30 C ATOM 881 C CYS A 65 3.555 -1.968 -2.807 1.00 54.00 C ATOM 882 O CYS A 65 3.629 -1.096 -1.941 1.00 21.10 O ATOM 883 CB CYS A 65 2.455 -4.104 -2.112 1.00 14.10 C ATOM 884 SG CYS A 65 0.901 -4.976 -1.807 1.00 5.13 S ATOM 0 H CYS A 65 2.188 -4.147 -4.569 1.00 43.20 H new ATOM 0 HA CYS A 65 1.449 -2.263 -2.570 1.00 54.30 H new ATOM 0 HB2 CYS A 65 3.143 -4.777 -2.623 1.00 14.10 H new ATOM 0 HB3 CYS A 65 2.910 -3.849 -1.155 1.00 14.10 H new ATOM 0 HG CYS A 65 0.526 -5.587 -2.892 1.00 5.13 H new ATOM 890 N THR A 66 4.535 -2.218 -3.667 1.00 15.10 N ATOM 891 CA THR A 66 5.783 -1.464 -3.645 1.00 61.20 C ATOM 892 C THR A 66 5.580 -0.057 -4.196 1.00 45.00 C ATOM 893 O THR A 66 6.090 0.917 -3.643 1.00 43.30 O ATOM 894 CB THR A 66 6.858 -2.193 -4.454 1.00 2.42 C ATOM 895 OG1 THR A 66 7.044 -3.510 -3.968 1.00 4.34 O ATOM 896 CG2 THR A 66 8.202 -1.498 -4.425 1.00 22.10 C ATOM 0 H THR A 66 4.490 -2.937 -4.389 1.00 15.10 H new ATOM 0 HA THR A 66 6.111 -1.383 -2.609 1.00 61.20 H new ATOM 0 HB THR A 66 6.493 -2.199 -5.481 1.00 2.42 H new ATOM 0 HG1 THR A 66 6.254 -4.051 -4.178 1.00 4.34 H new ATOM 0 HG21 THR A 66 8.919 -2.067 -5.018 1.00 22.10 H new ATOM 0 HG22 THR A 66 8.102 -0.495 -4.840 1.00 22.10 H new ATOM 0 HG23 THR A 66 8.555 -1.431 -3.396 1.00 22.10 H new ATOM 904 N GLU A 67 4.832 0.041 -5.290 1.00 43.20 N ATOM 905 CA GLU A 67 4.561 1.329 -5.918 1.00 70.20 C ATOM 906 C GLU A 67 3.835 2.262 -4.953 1.00 11.30 C ATOM 907 O GLU A 67 4.120 3.459 -4.898 1.00 64.50 O ATOM 908 CB GLU A 67 3.725 1.137 -7.184 1.00 32.20 C ATOM 909 CG GLU A 67 3.979 2.195 -8.247 1.00 33.20 C ATOM 910 CD GLU A 67 3.827 1.652 -9.649 1.00 23.30 C ATOM 911 OE1 GLU A 67 2.692 1.640 -10.168 1.00 11.00 O ATOM 912 OE2 GLU A 67 4.851 1.241 -10.242 1.00 14.00 O ATOM 0 H GLU A 67 4.403 -0.756 -5.760 1.00 43.20 H new ATOM 0 HA GLU A 67 5.515 1.782 -6.186 1.00 70.20 H new ATOM 0 HB2 GLU A 67 3.937 0.154 -7.604 1.00 32.20 H new ATOM 0 HB3 GLU A 67 2.668 1.148 -6.917 1.00 32.20 H new ATOM 0 HG2 GLU A 67 3.285 3.023 -8.104 1.00 33.20 H new ATOM 0 HG3 GLU A 67 4.985 2.596 -8.123 1.00 33.20 H new ATOM 919 N TYR A 68 2.897 1.707 -4.193 1.00 4.02 N ATOM 920 CA TYR A 68 2.131 2.489 -3.230 1.00 2.14 C ATOM 921 C TYR A 68 2.994 2.870 -2.030 1.00 63.40 C ATOM 922 O TYR A 68 2.921 3.994 -1.533 1.00 12.10 O ATOM 923 CB TYR A 68 0.905 1.704 -2.762 1.00 71.40 C ATOM 924 CG TYR A 68 -0.110 1.456 -3.855 1.00 62.50 C ATOM 925 CD1 TYR A 68 -0.451 2.460 -4.753 1.00 55.30 C ATOM 926 CD2 TYR A 68 -0.727 0.220 -3.989 1.00 14.30 C ATOM 927 CE1 TYR A 68 -1.379 2.239 -5.753 1.00 43.30 C ATOM 928 CE2 TYR A 68 -1.655 -0.010 -4.987 1.00 52.10 C ATOM 929 CZ TYR A 68 -1.978 1.002 -5.865 1.00 31.30 C ATOM 930 OH TYR A 68 -2.901 0.777 -6.860 1.00 54.20 O ATOM 0 H TYR A 68 2.649 0.718 -4.225 1.00 4.02 H new ATOM 0 HA TYR A 68 1.801 3.403 -3.723 1.00 2.14 H new ATOM 0 HB2 TYR A 68 1.231 0.746 -2.356 1.00 71.40 H new ATOM 0 HB3 TYR A 68 0.425 2.248 -1.949 1.00 71.40 H new ATOM 0 HD1 TYR A 68 0.017 3.430 -4.668 1.00 55.30 H new ATOM 0 HD2 TYR A 68 -0.478 -0.575 -3.302 1.00 14.30 H new ATOM 0 HE1 TYR A 68 -1.634 3.030 -6.443 1.00 43.30 H new ATOM 0 HE2 TYR A 68 -2.125 -0.978 -5.078 1.00 52.10 H new ATOM 0 HH TYR A 68 -3.227 -0.145 -6.801 1.00 54.20 H new ATOM 940 N LEU A 69 3.809 1.927 -1.571 1.00 70.50 N ATOM 941 CA LEU A 69 4.685 2.165 -0.429 1.00 40.30 C ATOM 942 C LEU A 69 5.653 3.308 -0.714 1.00 51.40 C ATOM 943 O LEU A 69 5.823 4.210 0.107 1.00 13.50 O ATOM 944 CB LEU A 69 5.466 0.893 -0.086 1.00 40.30 C ATOM 945 CG LEU A 69 4.653 -0.197 0.611 1.00 4.34 C ATOM 946 CD1 LEU A 69 5.338 -1.548 0.465 1.00 12.30 C ATOM 947 CD2 LEU A 69 4.452 0.145 2.079 1.00 11.40 C ATOM 0 H LEU A 69 3.882 0.992 -1.971 1.00 70.50 H new ATOM 0 HA LEU A 69 4.064 2.444 0.422 1.00 40.30 H new ATOM 0 HB2 LEU A 69 5.883 0.482 -1.005 1.00 40.30 H new ATOM 0 HB3 LEU A 69 6.307 1.162 0.553 1.00 40.30 H new ATOM 0 HG LEU A 69 3.674 -0.255 0.135 1.00 4.34 H new ATOM 0 HD11 LEU A 69 4.745 -2.313 0.967 1.00 12.30 H new ATOM 0 HD12 LEU A 69 5.430 -1.797 -0.592 1.00 12.30 H new ATOM 0 HD13 LEU A 69 6.330 -1.504 0.915 1.00 12.30 H new ATOM 0 HD21 LEU A 69 3.871 -0.642 2.560 1.00 11.40 H new ATOM 0 HD22 LEU A 69 5.422 0.231 2.569 1.00 11.40 H new ATOM 0 HD23 LEU A 69 3.919 1.092 2.162 1.00 11.40 H new ATOM 959 N ASP A 70 6.284 3.265 -1.883 1.00 71.50 N ATOM 960 CA ASP A 70 7.234 4.298 -2.277 1.00 64.30 C ATOM 961 C ASP A 70 6.561 5.666 -2.329 1.00 15.10 C ATOM 962 O ASP A 70 7.149 6.675 -1.937 1.00 53.10 O ATOM 963 CB ASP A 70 7.847 3.966 -3.639 1.00 35.40 C ATOM 964 CG ASP A 70 9.167 4.675 -3.868 1.00 0.50 C ATOM 965 OD1 ASP A 70 10.146 4.347 -3.165 1.00 54.00 O ATOM 966 OD2 ASP A 70 9.222 5.556 -4.751 1.00 24.00 O ATOM 0 H ASP A 70 6.154 2.526 -2.574 1.00 71.50 H new ATOM 0 HA ASP A 70 8.026 4.331 -1.529 1.00 64.30 H new ATOM 0 HB2 ASP A 70 7.999 2.889 -3.713 1.00 35.40 H new ATOM 0 HB3 ASP A 70 7.147 4.244 -4.427 1.00 35.40 H new ATOM 971 N ARG A 71 5.325 5.693 -2.817 1.00 61.20 N ATOM 972 CA ARG A 71 4.571 6.937 -2.922 1.00 41.10 C ATOM 973 C ARG A 71 4.368 7.567 -1.548 1.00 53.30 C ATOM 974 O ARG A 71 4.668 8.743 -1.342 1.00 44.30 O ATOM 975 CB ARG A 71 3.217 6.683 -3.584 1.00 35.10 C ATOM 976 CG ARG A 71 2.632 7.911 -4.263 1.00 1.52 C ATOM 977 CD ARG A 71 2.942 7.926 -5.751 1.00 31.10 C ATOM 978 NE ARG A 71 2.757 9.252 -6.336 1.00 32.40 N ATOM 979 CZ ARG A 71 3.640 10.242 -6.221 1.00 41.30 C ATOM 980 NH1 ARG A 71 4.769 10.059 -5.548 1.00 24.30 N ATOM 981 NH2 ARG A 71 3.390 11.415 -6.777 1.00 41.00 N ATOM 0 H ARG A 71 4.824 4.867 -3.146 1.00 61.20 H new ATOM 0 HA ARG A 71 5.144 7.629 -3.539 1.00 41.10 H new ATOM 0 HB2 ARG A 71 3.326 5.888 -4.321 1.00 35.10 H new ATOM 0 HB3 ARG A 71 2.515 6.325 -2.831 1.00 35.10 H new ATOM 0 HG2 ARG A 71 1.552 7.930 -4.115 1.00 1.52 H new ATOM 0 HG3 ARG A 71 3.033 8.811 -3.798 1.00 1.52 H new ATOM 0 HD2 ARG A 71 3.970 7.600 -5.910 1.00 31.10 H new ATOM 0 HD3 ARG A 71 2.298 7.211 -6.263 1.00 31.10 H new ATOM 0 HE ARG A 71 1.902 9.430 -6.863 1.00 32.40 H new ATOM 0 HH11 ARG A 71 4.964 9.156 -5.115 1.00 24.30 H new ATOM 0 HH12 ARG A 71 5.442 10.821 -5.463 1.00 24.30 H new ATOM 0 HH21 ARG A 71 2.522 11.560 -7.293 1.00 41.00 H new ATOM 0 HH22 ARG A 71 4.065 12.175 -6.690 1.00 41.00 H new ATOM 995 N ALA A 72 3.858 6.776 -0.610 1.00 34.30 N ATOM 996 CA ALA A 72 3.615 7.256 0.745 1.00 24.20 C ATOM 997 C ALA A 72 4.918 7.668 1.424 1.00 13.10 C ATOM 998 O ALA A 72 4.940 8.593 2.236 1.00 63.40 O ATOM 999 CB ALA A 72 2.907 6.187 1.565 1.00 3.22 C ATOM 0 H ALA A 72 3.605 5.800 -0.763 1.00 34.30 H new ATOM 0 HA ALA A 72 2.974 8.135 0.682 1.00 24.20 H new ATOM 0 HB1 ALA A 72 2.732 6.559 2.574 1.00 3.22 H new ATOM 0 HB2 ALA A 72 1.953 5.943 1.098 1.00 3.22 H new ATOM 0 HB3 ALA A 72 3.528 5.293 1.611 1.00 3.22 H new ATOM 1005 N GLU A 73 6.000 6.976 1.084 1.00 15.20 N ATOM 1006 CA GLU A 73 7.307 7.271 1.660 1.00 63.50 C ATOM 1007 C GLU A 73 7.734 8.699 1.338 1.00 54.30 C ATOM 1008 O GLU A 73 8.322 9.385 2.175 1.00 53.40 O ATOM 1009 CB GLU A 73 8.353 6.284 1.137 1.00 63.00 C ATOM 1010 CG GLU A 73 8.353 4.953 1.872 1.00 52.00 C ATOM 1011 CD GLU A 73 9.736 4.338 1.961 1.00 34.20 C ATOM 1012 OE1 GLU A 73 10.525 4.775 2.825 1.00 2.44 O ATOM 1013 OE2 GLU A 73 10.030 3.420 1.168 1.00 45.10 O ATOM 0 H GLU A 73 5.998 6.208 0.413 1.00 15.20 H new ATOM 0 HA GLU A 73 7.230 7.169 2.742 1.00 63.50 H new ATOM 0 HB2 GLU A 73 8.173 6.104 0.077 1.00 63.00 H new ATOM 0 HB3 GLU A 73 9.341 6.736 1.221 1.00 63.00 H new ATOM 0 HG2 GLU A 73 7.958 5.097 2.878 1.00 52.00 H new ATOM 0 HG3 GLU A 73 7.683 4.260 1.362 1.00 52.00 H new ATOM 1020 N LYS A 74 7.435 9.142 0.121 1.00 1.41 N ATOM 1021 CA LYS A 74 7.788 10.489 -0.310 1.00 30.40 C ATOM 1022 C LYS A 74 6.911 11.529 0.380 1.00 20.00 C ATOM 1023 O LYS A 74 7.383 12.601 0.758 1.00 31.50 O ATOM 1024 CB LYS A 74 7.647 10.613 -1.829 1.00 62.30 C ATOM 1025 CG LYS A 74 8.786 9.967 -2.600 1.00 11.40 C ATOM 1026 CD LYS A 74 9.100 10.736 -3.868 1.00 50.40 C ATOM 1027 CE LYS A 74 10.006 9.936 -4.788 1.00 70.20 C ATOM 1028 NZ LYS A 74 10.983 10.808 -5.499 1.00 52.30 N ATOM 0 H LYS A 74 6.949 8.587 -0.584 1.00 1.41 H new ATOM 0 HA LYS A 74 8.826 10.673 -0.031 1.00 30.40 H new ATOM 0 HB2 LYS A 74 6.706 10.157 -2.137 1.00 62.30 H new ATOM 0 HB3 LYS A 74 7.591 11.668 -2.095 1.00 62.30 H new ATOM 0 HG2 LYS A 74 9.675 9.922 -1.970 1.00 11.40 H new ATOM 0 HG3 LYS A 74 8.521 8.940 -2.851 1.00 11.40 H new ATOM 0 HD2 LYS A 74 8.173 10.979 -4.388 1.00 50.40 H new ATOM 0 HD3 LYS A 74 9.580 11.681 -3.613 1.00 50.40 H new ATOM 0 HE2 LYS A 74 10.544 9.187 -4.207 1.00 70.20 H new ATOM 0 HE3 LYS A 74 9.400 9.399 -5.518 1.00 70.20 H new ATOM 0 HZ1 LYS A 74 11.583 10.225 -6.117 1.00 52.30 H new ATOM 0 HZ2 LYS A 74 10.470 11.507 -6.074 1.00 52.30 H new ATOM 0 HZ3 LYS A 74 11.578 11.301 -4.803 1.00 52.30 H new ATOM 1042 N LEU A 75 5.632 11.205 0.542 1.00 20.30 N ATOM 1043 CA LEU A 75 4.690 12.111 1.187 1.00 71.40 C ATOM 1044 C LEU A 75 4.990 12.237 2.677 1.00 5.34 C ATOM 1045 O LEU A 75 4.962 13.335 3.235 1.00 63.00 O ATOM 1046 CB LEU A 75 3.255 11.617 0.985 1.00 12.30 C ATOM 1047 CG LEU A 75 2.580 12.103 -0.299 1.00 5.42 C ATOM 1048 CD1 LEU A 75 3.431 11.763 -1.512 1.00 73.30 C ATOM 1049 CD2 LEU A 75 1.191 11.494 -0.432 1.00 54.10 C ATOM 0 H LEU A 75 5.225 10.322 0.235 1.00 20.30 H new ATOM 0 HA LEU A 75 4.797 13.094 0.728 1.00 71.40 H new ATOM 0 HB2 LEU A 75 3.258 10.527 0.986 1.00 12.30 H new ATOM 0 HB3 LEU A 75 2.654 11.935 1.837 1.00 12.30 H new ATOM 0 HG LEU A 75 2.478 13.187 -0.246 1.00 5.42 H new ATOM 0 HD11 LEU A 75 2.934 12.117 -2.416 1.00 73.30 H new ATOM 0 HD12 LEU A 75 4.404 12.245 -1.420 1.00 73.30 H new ATOM 0 HD13 LEU A 75 3.565 10.683 -1.571 1.00 73.30 H new ATOM 0 HD21 LEU A 75 0.724 11.850 -1.351 1.00 54.10 H new ATOM 0 HD22 LEU A 75 1.272 10.407 -0.463 1.00 54.10 H new ATOM 0 HD23 LEU A 75 0.581 11.788 0.422 1.00 54.10 H new ATOM 1061 N LYS A 76 5.279 11.108 3.316 1.00 60.30 N ATOM 1062 CA LYS A 76 5.585 11.093 4.742 1.00 1.42 C ATOM 1063 C LYS A 76 6.807 11.955 5.045 1.00 2.03 C ATOM 1064 O LYS A 76 6.867 12.625 6.075 1.00 63.40 O ATOM 1065 CB LYS A 76 5.826 9.660 5.219 1.00 63.30 C ATOM 1066 CG LYS A 76 5.405 9.419 6.659 1.00 73.10 C ATOM 1067 CD LYS A 76 5.435 7.939 7.007 1.00 5.12 C ATOM 1068 CE LYS A 76 6.719 7.563 7.730 1.00 23.40 C ATOM 1069 NZ LYS A 76 6.646 7.865 9.186 1.00 61.30 N ATOM 0 H LYS A 76 5.308 10.192 2.869 1.00 60.30 H new ATOM 0 HA LYS A 76 4.729 11.506 5.276 1.00 1.42 H new ATOM 0 HB2 LYS A 76 5.282 8.974 4.570 1.00 63.30 H new ATOM 0 HB3 LYS A 76 6.885 9.425 5.115 1.00 63.30 H new ATOM 0 HG2 LYS A 76 6.068 9.965 7.330 1.00 73.10 H new ATOM 0 HG3 LYS A 76 4.400 9.811 6.816 1.00 73.10 H new ATOM 0 HD2 LYS A 76 4.578 7.694 7.634 1.00 5.12 H new ATOM 0 HD3 LYS A 76 5.343 7.348 6.096 1.00 5.12 H new ATOM 0 HE2 LYS A 76 6.917 6.500 7.589 1.00 23.40 H new ATOM 0 HE3 LYS A 76 7.556 8.104 7.289 1.00 23.40 H new ATOM 0 HZ1 LYS A 76 7.541 7.594 9.642 1.00 61.30 H new ATOM 0 HZ2 LYS A 76 6.483 8.883 9.322 1.00 61.30 H new ATOM 0 HZ3 LYS A 76 5.864 7.329 9.613 1.00 61.30 H new ATOM 1083 N GLU A 77 7.778 11.934 4.138 1.00 44.30 N ATOM 1084 CA GLU A 77 8.997 12.715 4.306 1.00 40.30 C ATOM 1085 C GLU A 77 8.734 14.191 4.032 1.00 60.30 C ATOM 1086 O GLU A 77 9.012 15.050 4.869 1.00 63.00 O ATOM 1087 CB GLU A 77 10.094 12.198 3.372 1.00 12.30 C ATOM 1088 CG GLU A 77 11.488 12.271 3.972 1.00 21.20 C ATOM 1089 CD GLU A 77 12.508 11.484 3.174 1.00 55.10 C ATOM 1090 OE1 GLU A 77 12.097 10.590 2.402 1.00 14.40 O ATOM 1091 OE2 GLU A 77 13.718 11.759 3.319 1.00 54.30 O ATOM 0 H GLU A 77 7.744 11.385 3.279 1.00 44.30 H new ATOM 0 HA GLU A 77 9.330 12.607 5.338 1.00 40.30 H new ATOM 0 HB2 GLU A 77 9.876 11.164 3.106 1.00 12.30 H new ATOM 0 HB3 GLU A 77 10.075 12.775 2.448 1.00 12.30 H new ATOM 0 HG2 GLU A 77 11.801 13.313 4.027 1.00 21.20 H new ATOM 0 HG3 GLU A 77 11.460 11.892 4.993 1.00 21.20 H new ATOM 1098 N TYR A 78 8.191 14.476 2.853 1.00 20.20 N ATOM 1099 CA TYR A 78 7.882 15.846 2.464 1.00 55.40 C ATOM 1100 C TYR A 78 6.887 16.472 3.440 1.00 53.20 C ATOM 1101 O TYR A 78 6.916 17.678 3.683 1.00 22.20 O ATOM 1102 CB TYR A 78 7.328 15.868 1.030 1.00 71.40 C ATOM 1103 CG TYR A 78 6.304 16.953 0.770 1.00 0.34 C ATOM 1104 CD1 TYR A 78 4.979 16.785 1.150 1.00 44.30 C ATOM 1105 CD2 TYR A 78 6.664 18.141 0.146 1.00 32.20 C ATOM 1106 CE1 TYR A 78 4.039 17.771 0.914 1.00 13.00 C ATOM 1107 CE2 TYR A 78 5.730 19.132 -0.092 1.00 51.00 C ATOM 1108 CZ TYR A 78 4.419 18.942 0.294 1.00 50.50 C ATOM 1109 OH TYR A 78 3.487 19.925 0.059 1.00 54.40 O ATOM 0 H TYR A 78 7.956 13.775 2.150 1.00 20.20 H new ATOM 0 HA TYR A 78 8.797 16.437 2.495 1.00 55.40 H new ATOM 0 HB2 TYR A 78 8.158 15.995 0.335 1.00 71.40 H new ATOM 0 HB3 TYR A 78 6.876 14.900 0.813 1.00 71.40 H new ATOM 0 HD1 TYR A 78 4.678 15.870 1.638 1.00 44.30 H new ATOM 0 HD2 TYR A 78 7.689 18.293 -0.158 1.00 32.20 H new ATOM 0 HE1 TYR A 78 3.012 17.624 1.214 1.00 13.00 H new ATOM 0 HE2 TYR A 78 6.025 20.050 -0.578 1.00 51.00 H new ATOM 0 HH TYR A 78 3.918 20.685 -0.384 1.00 54.40 H new ATOM 1119 N LEU A 79 6.009 15.642 3.995 1.00 52.40 N ATOM 1120 CA LEU A 79 5.007 16.115 4.944 1.00 0.33 C ATOM 1121 C LEU A 79 5.661 16.575 6.242 1.00 41.20 C ATOM 1122 O LEU A 79 5.281 17.598 6.811 1.00 3.25 O ATOM 1123 CB LEU A 79 3.990 15.009 5.236 1.00 24.20 C ATOM 1124 CG LEU A 79 2.885 14.854 4.191 1.00 41.40 C ATOM 1125 CD1 LEU A 79 2.187 13.512 4.347 1.00 12.30 C ATOM 1126 CD2 LEU A 79 1.883 15.993 4.304 1.00 32.00 C ATOM 0 H LEU A 79 5.971 14.641 3.804 1.00 52.40 H new ATOM 0 HA LEU A 79 4.492 16.965 4.497 1.00 0.33 H new ATOM 0 HB2 LEU A 79 4.522 14.061 5.324 1.00 24.20 H new ATOM 0 HB3 LEU A 79 3.529 15.207 6.204 1.00 24.20 H new ATOM 0 HG LEU A 79 3.339 14.891 3.201 1.00 41.40 H new ATOM 0 HD11 LEU A 79 1.404 13.420 3.595 1.00 12.30 H new ATOM 0 HD12 LEU A 79 2.911 12.708 4.217 1.00 12.30 H new ATOM 0 HD13 LEU A 79 1.745 13.445 5.341 1.00 12.30 H new ATOM 0 HD21 LEU A 79 1.103 15.867 3.553 1.00 32.00 H new ATOM 0 HD22 LEU A 79 1.435 15.986 5.297 1.00 32.00 H new ATOM 0 HD23 LEU A 79 2.392 16.943 4.143 1.00 32.00 H new ATOM 1138 N LYS A 80 6.647 15.813 6.706 1.00 54.40 N ATOM 1139 CA LYS A 80 7.354 16.144 7.937 1.00 2.23 C ATOM 1140 C LYS A 80 8.252 17.360 7.738 1.00 35.00 C ATOM 1141 O LYS A 80 8.266 18.275 8.562 1.00 1.31 O ATOM 1142 CB LYS A 80 8.189 14.951 8.406 1.00 32.40 C ATOM 1143 CG LYS A 80 7.393 13.926 9.198 1.00 64.20 C ATOM 1144 CD LYS A 80 8.061 12.561 9.173 1.00 74.40 C ATOM 1145 CE LYS A 80 7.925 11.850 10.510 1.00 31.20 C ATOM 1146 NZ LYS A 80 8.807 12.450 11.549 1.00 5.10 N ATOM 0 H LYS A 80 6.974 14.962 6.248 1.00 54.40 H new ATOM 0 HA LYS A 80 6.613 16.383 8.700 1.00 2.23 H new ATOM 0 HB2 LYS A 80 8.631 14.463 7.537 1.00 32.40 H new ATOM 0 HB3 LYS A 80 9.012 15.314 9.021 1.00 32.40 H new ATOM 0 HG2 LYS A 80 7.289 14.263 10.230 1.00 64.20 H new ATOM 0 HG3 LYS A 80 6.387 13.847 8.786 1.00 64.20 H new ATOM 0 HD2 LYS A 80 7.615 11.951 8.388 1.00 74.40 H new ATOM 0 HD3 LYS A 80 9.117 12.676 8.926 1.00 74.40 H new ATOM 0 HE2 LYS A 80 6.888 11.897 10.843 1.00 31.20 H new ATOM 0 HE3 LYS A 80 8.173 10.796 10.388 1.00 31.20 H new ATOM 0 HZ1 LYS A 80 8.855 11.816 12.372 1.00 5.10 H new ATOM 0 HZ2 LYS A 80 9.762 12.584 11.159 1.00 5.10 H new ATOM 0 HZ3 LYS A 80 8.421 13.370 11.843 1.00 5.10 H new ATOM 1160 N ASN A 81 9.002 17.364 6.641 1.00 41.40 N ATOM 1161 CA ASN A 81 9.904 18.468 6.334 1.00 25.20 C ATOM 1162 C ASN A 81 9.125 19.688 5.852 1.00 63.30 C ATOM 1163 O ASN A 81 9.082 20.716 6.528 1.00 33.30 O ATOM 1164 CB ASN A 81 10.921 18.044 5.273 1.00 4.05 C ATOM 1165 CG ASN A 81 12.262 18.729 5.450 1.00 25.50 C ATOM 1166 OD1 ASN A 81 12.588 19.208 6.536 1.00 42.00 O ATOM 1167 ND2 ASN A 81 13.047 18.778 4.380 1.00 33.20 N ATOM 0 H ASN A 81 9.003 16.614 5.949 1.00 41.40 H new ATOM 0 HA ASN A 81 10.435 18.736 7.247 1.00 25.20 H new ATOM 0 HB2 ASN A 81 11.059 16.964 5.318 1.00 4.05 H new ATOM 0 HB3 ASN A 81 10.527 18.274 4.283 1.00 4.05 H new ATOM 0 HD21 ASN A 81 13.961 19.226 4.438 1.00 33.20 H new ATOM 0 HD22 ASN A 81 12.736 18.367 3.500 1.00 33.20 H new ATOM 1175 N ASP B 116 9.281 -10.488 -1.630 1.00 50.20 N ATOM 1176 CA ASP B 116 8.100 -10.284 -0.793 1.00 24.40 C ATOM 1177 C ASP B 116 8.486 -9.684 0.554 1.00 43.50 C ATOM 1178 O ASP B 116 7.717 -8.929 1.152 1.00 20.50 O ATOM 1179 CB ASP B 116 7.370 -11.614 -0.583 1.00 13.30 C ATOM 1180 CG ASP B 116 8.227 -12.640 0.122 1.00 64.30 C ATOM 1181 OD1 ASP B 116 9.168 -13.167 -0.515 1.00 62.20 O ATOM 1182 OD2 ASP B 116 7.964 -12.923 1.309 1.00 53.20 O ATOM 0 HA ASP B 116 7.436 -9.586 -1.302 1.00 24.40 H new ATOM 0 HB2 ASP B 116 6.465 -11.440 -0.001 1.00 13.30 H new ATOM 0 HB3 ASP B 116 7.057 -12.009 -1.549 1.00 13.30 H new ATOM 1187 N GLU B 117 9.683 -10.027 1.027 1.00 71.50 N ATOM 1188 CA GLU B 117 10.169 -9.519 2.305 1.00 12.50 C ATOM 1189 C GLU B 117 10.303 -8.002 2.273 1.00 60.40 C ATOM 1190 O GLU B 117 10.110 -7.330 3.287 1.00 21.40 O ATOM 1191 CB GLU B 117 11.521 -10.156 2.646 1.00 33.10 C ATOM 1192 CG GLU B 117 11.399 -11.466 3.400 1.00 23.40 C ATOM 1193 CD GLU B 117 12.682 -11.847 4.111 1.00 40.40 C ATOM 1194 OE1 GLU B 117 13.756 -11.773 3.478 1.00 62.20 O ATOM 1195 OE2 GLU B 117 12.615 -12.223 5.301 1.00 23.30 O ATOM 0 H GLU B 117 10.330 -10.652 0.546 1.00 71.50 H new ATOM 0 HA GLU B 117 9.443 -9.784 3.074 1.00 12.50 H new ATOM 0 HB2 GLU B 117 12.076 -10.327 1.724 1.00 33.10 H new ATOM 0 HB3 GLU B 117 12.104 -9.455 3.243 1.00 33.10 H new ATOM 0 HG2 GLU B 117 10.592 -11.388 4.129 1.00 23.40 H new ATOM 0 HG3 GLU B 117 11.124 -12.258 2.704 1.00 23.40 H new ATOM 1202 N GLU B 118 10.632 -7.460 1.104 1.00 40.40 N ATOM 1203 CA GLU B 118 10.792 -6.024 0.940 1.00 5.13 C ATOM 1204 C GLU B 118 9.452 -5.312 1.075 1.00 35.40 C ATOM 1205 O GLU B 118 9.369 -4.228 1.650 1.00 31.40 O ATOM 1206 CB GLU B 118 11.415 -5.707 -0.421 1.00 70.30 C ATOM 1207 CG GLU B 118 12.332 -4.494 -0.405 1.00 3.01 C ATOM 1208 CD GLU B 118 13.792 -4.874 -0.247 1.00 31.40 C ATOM 1209 OE1 GLU B 118 14.196 -5.230 0.881 1.00 50.30 O ATOM 1210 OE2 GLU B 118 14.533 -4.818 -1.251 1.00 21.10 O ATOM 0 H GLU B 118 10.793 -8.000 0.254 1.00 40.40 H new ATOM 0 HA GLU B 118 11.457 -5.667 1.726 1.00 5.13 H new ATOM 0 HB2 GLU B 118 11.980 -6.574 -0.763 1.00 70.30 H new ATOM 0 HB3 GLU B 118 10.618 -5.540 -1.146 1.00 70.30 H new ATOM 0 HG2 GLU B 118 12.204 -3.933 -1.331 1.00 3.01 H new ATOM 0 HG3 GLU B 118 12.041 -3.833 0.411 1.00 3.01 H new ATOM 1217 N ILE B 119 8.402 -5.928 0.539 1.00 73.10 N ATOM 1218 CA ILE B 119 7.065 -5.354 0.600 1.00 11.00 C ATOM 1219 C ILE B 119 6.493 -5.443 2.011 1.00 25.40 C ATOM 1220 O ILE B 119 5.939 -4.473 2.529 1.00 75.10 O ATOM 1221 CB ILE B 119 6.105 -6.058 -0.378 1.00 4.50 C ATOM 1222 CG1 ILE B 119 6.734 -6.148 -1.769 1.00 3.34 C ATOM 1223 CG2 ILE B 119 4.775 -5.321 -0.438 1.00 53.40 C ATOM 1224 CD1 ILE B 119 5.852 -6.836 -2.788 1.00 42.50 C ATOM 0 H ILE B 119 8.453 -6.826 0.057 1.00 73.10 H new ATOM 0 HA ILE B 119 7.157 -4.306 0.314 1.00 11.00 H new ATOM 0 HB ILE B 119 5.921 -7.070 -0.018 1.00 4.50 H new ATOM 0 HG12 ILE B 119 6.965 -5.142 -2.120 1.00 3.34 H new ATOM 0 HG13 ILE B 119 7.680 -6.685 -1.697 1.00 3.34 H new ATOM 0 HG21 ILE B 119 4.108 -5.831 -1.133 1.00 53.40 H new ATOM 0 HG22 ILE B 119 4.323 -5.305 0.554 1.00 53.40 H new ATOM 0 HG23 ILE B 119 4.941 -4.299 -0.778 1.00 53.40 H new ATOM 0 HD11 ILE B 119 6.362 -6.864 -3.751 1.00 42.50 H new ATOM 0 HD12 ILE B 119 5.642 -7.854 -2.459 1.00 42.50 H new ATOM 0 HD13 ILE B 119 4.916 -6.287 -2.889 1.00 42.50 H new ATOM 1236 N GLU B 120 6.625 -6.607 2.627 1.00 61.40 N ATOM 1237 CA GLU B 120 6.120 -6.820 3.978 1.00 1.20 C ATOM 1238 C GLU B 120 6.811 -5.895 4.970 1.00 45.30 C ATOM 1239 O GLU B 120 6.153 -5.232 5.773 1.00 71.40 O ATOM 1240 CB GLU B 120 6.333 -8.276 4.398 1.00 62.20 C ATOM 1241 CG GLU B 120 5.397 -8.736 5.503 1.00 73.40 C ATOM 1242 CD GLU B 120 6.058 -8.727 6.869 1.00 32.00 C ATOM 1243 OE1 GLU B 120 6.098 -7.647 7.498 1.00 1.31 O ATOM 1244 OE2 GLU B 120 6.533 -9.796 7.309 1.00 64.30 O ATOM 0 H GLU B 120 7.078 -7.422 2.213 1.00 61.40 H new ATOM 0 HA GLU B 120 5.053 -6.596 3.979 1.00 1.20 H new ATOM 0 HB2 GLU B 120 6.198 -8.919 3.528 1.00 62.20 H new ATOM 0 HB3 GLU B 120 7.363 -8.402 4.731 1.00 62.20 H new ATOM 0 HG2 GLU B 120 4.520 -8.089 5.524 1.00 73.40 H new ATOM 0 HG3 GLU B 120 5.045 -9.743 5.280 1.00 73.40 H new ATOM 1251 N ARG B 121 8.138 -5.848 4.910 1.00 60.10 N ATOM 1252 CA ARG B 121 8.915 -4.997 5.803 1.00 52.40 C ATOM 1253 C ARG B 121 8.621 -3.523 5.541 1.00 52.30 C ATOM 1254 O ARG B 121 8.671 -2.698 6.453 1.00 13.10 O ATOM 1255 CB ARG B 121 10.408 -5.265 5.629 1.00 31.40 C ATOM 1256 CG ARG B 121 11.268 -4.646 6.719 1.00 32.10 C ATOM 1257 CD ARG B 121 12.745 -4.690 6.353 1.00 54.40 C ATOM 1258 NE ARG B 121 13.179 -6.031 5.974 1.00 50.40 N ATOM 1259 CZ ARG B 121 14.429 -6.336 5.644 1.00 64.00 C ATOM 1260 NH1 ARG B 121 15.376 -5.408 5.645 1.00 54.40 N ATOM 1261 NH2 ARG B 121 14.741 -7.585 5.314 1.00 31.50 N ATOM 0 H ARG B 121 8.698 -6.390 4.252 1.00 60.10 H new ATOM 0 HA ARG B 121 8.627 -5.233 6.828 1.00 52.40 H new ATOM 0 HB2 ARG B 121 10.576 -6.342 5.613 1.00 31.40 H new ATOM 0 HB3 ARG B 121 10.728 -4.878 4.662 1.00 31.40 H new ATOM 0 HG2 ARG B 121 10.963 -3.612 6.883 1.00 32.10 H new ATOM 0 HG3 ARG B 121 11.108 -5.178 7.657 1.00 32.10 H new ATOM 0 HD2 ARG B 121 12.934 -4.002 5.529 1.00 54.40 H new ATOM 0 HD3 ARG B 121 13.338 -4.344 7.200 1.00 54.40 H new ATOM 0 HE ARG B 121 12.483 -6.776 5.962 1.00 50.40 H new ATOM 0 HH11 ARG B 121 15.148 -4.447 5.901 1.00 54.40 H new ATOM 0 HH12 ARG B 121 16.332 -5.655 5.390 1.00 54.40 H new ATOM 0 HH21 ARG B 121 14.021 -8.308 5.314 1.00 31.50 H new ATOM 0 HH22 ARG B 121 15.700 -7.821 5.060 1.00 31.50 H new ATOM 1275 N GLN B 122 8.315 -3.199 4.289 1.00 3.52 N ATOM 1276 CA GLN B 122 8.013 -1.825 3.907 1.00 21.30 C ATOM 1277 C GLN B 122 6.806 -1.298 4.677 1.00 20.20 C ATOM 1278 O GLN B 122 6.792 -0.149 5.120 1.00 2.05 O ATOM 1279 CB GLN B 122 7.750 -1.737 2.403 1.00 52.30 C ATOM 1280 CG GLN B 122 9.007 -1.507 1.579 1.00 20.40 C ATOM 1281 CD GLN B 122 9.231 -0.043 1.254 1.00 4.43 C ATOM 1282 OE1 GLN B 122 9.613 0.305 0.136 1.00 3.30 O ATOM 1283 NE2 GLN B 122 8.995 0.823 2.232 1.00 13.50 N ATOM 0 H GLN B 122 8.270 -3.870 3.522 1.00 3.52 H new ATOM 0 HA GLN B 122 8.877 -1.208 4.155 1.00 21.30 H new ATOM 0 HB2 GLN B 122 7.272 -2.659 2.071 1.00 52.30 H new ATOM 0 HB3 GLN B 122 7.047 -0.926 2.212 1.00 52.30 H new ATOM 0 HG2 GLN B 122 9.870 -1.891 2.124 1.00 20.40 H new ATOM 0 HG3 GLN B 122 8.938 -2.075 0.651 1.00 20.40 H new ATOM 0 HE21 GLN B 122 8.680 0.490 3.143 1.00 13.50 H new ATOM 0 HE22 GLN B 122 9.129 1.821 2.072 1.00 13.50 H new ATOM 1292 N LEU B 123 5.794 -2.146 4.834 1.00 1.11 N ATOM 1293 CA LEU B 123 4.583 -1.765 5.550 1.00 50.30 C ATOM 1294 C LEU B 123 4.871 -1.553 7.033 1.00 64.20 C ATOM 1295 O LEU B 123 4.430 -0.570 7.627 1.00 25.50 O ATOM 1296 CB LEU B 123 3.505 -2.838 5.377 1.00 12.00 C ATOM 1297 CG LEU B 123 2.614 -2.667 4.146 1.00 34.30 C ATOM 1298 CD1 LEU B 123 3.384 -2.998 2.878 1.00 20.50 C ATOM 1299 CD2 LEU B 123 1.373 -3.541 4.262 1.00 51.30 C ATOM 0 H LEU B 123 5.789 -3.101 4.475 1.00 1.11 H new ATOM 0 HA LEU B 123 4.223 -0.826 5.130 1.00 50.30 H new ATOM 0 HB2 LEU B 123 3.989 -3.813 5.324 1.00 12.00 H new ATOM 0 HB3 LEU B 123 2.874 -2.844 6.266 1.00 12.00 H new ATOM 0 HG LEU B 123 2.298 -1.625 4.092 1.00 34.30 H new ATOM 0 HD11 LEU B 123 2.733 -2.870 2.013 1.00 20.50 H new ATOM 0 HD12 LEU B 123 4.241 -2.331 2.788 1.00 20.50 H new ATOM 0 HD13 LEU B 123 3.731 -4.030 2.922 1.00 20.50 H new ATOM 0 HD21 LEU B 123 0.750 -3.407 3.378 1.00 51.30 H new ATOM 0 HD22 LEU B 123 1.670 -4.587 4.341 1.00 51.30 H new ATOM 0 HD23 LEU B 123 0.809 -3.256 5.150 1.00 51.30 H new ATOM 1311 N LYS B 124 5.616 -2.482 7.625 1.00 52.10 N ATOM 1312 CA LYS B 124 5.963 -2.397 9.038 1.00 42.20 C ATOM 1313 C LYS B 124 6.758 -1.126 9.326 1.00 32.20 C ATOM 1314 O LYS B 124 6.531 -0.456 10.333 1.00 21.50 O ATOM 1315 CB LYS B 124 6.772 -3.625 9.461 1.00 62.50 C ATOM 1316 CG LYS B 124 5.911 -4.780 9.946 1.00 42.30 C ATOM 1317 CD LYS B 124 5.795 -4.789 11.462 1.00 41.00 C ATOM 1318 CE LYS B 124 7.022 -5.408 12.112 1.00 14.40 C ATOM 1319 NZ LYS B 124 6.802 -6.836 12.460 1.00 31.30 N ATOM 0 H LYS B 124 5.990 -3.302 7.147 1.00 52.10 H new ATOM 0 HA LYS B 124 5.038 -2.365 9.613 1.00 42.20 H new ATOM 0 HB2 LYS B 124 7.375 -3.961 8.618 1.00 62.50 H new ATOM 0 HB3 LYS B 124 7.463 -3.339 10.254 1.00 62.50 H new ATOM 0 HG2 LYS B 124 4.917 -4.705 9.504 1.00 42.30 H new ATOM 0 HG3 LYS B 124 6.340 -5.723 9.607 1.00 42.30 H new ATOM 0 HD2 LYS B 124 5.666 -3.769 11.824 1.00 41.00 H new ATOM 0 HD3 LYS B 124 4.906 -5.347 11.756 1.00 41.00 H new ATOM 0 HE2 LYS B 124 7.872 -5.326 11.435 1.00 14.40 H new ATOM 0 HE3 LYS B 124 7.277 -4.850 13.013 1.00 14.40 H new ATOM 0 HZ1 LYS B 124 7.661 -7.222 12.901 1.00 31.30 H new ATOM 0 HZ2 LYS B 124 6.007 -6.913 13.126 1.00 31.30 H new ATOM 0 HZ3 LYS B 124 6.584 -7.374 11.597 1.00 31.30 H new ATOM 1333 N ALA B 125 7.690 -0.803 8.436 1.00 4.24 N ATOM 1334 CA ALA B 125 8.519 0.387 8.595 1.00 71.00 C ATOM 1335 C ALA B 125 7.663 1.648 8.637 1.00 24.30 C ATOM 1336 O ALA B 125 7.812 2.481 9.533 1.00 21.30 O ATOM 1337 CB ALA B 125 9.536 0.475 7.468 1.00 20.30 C ATOM 0 H ALA B 125 7.891 -1.348 7.597 1.00 4.24 H new ATOM 0 HA ALA B 125 9.050 0.307 9.543 1.00 71.00 H new ATOM 0 HB1 ALA B 125 10.148 1.367 7.599 1.00 20.30 H new ATOM 0 HB2 ALA B 125 10.174 -0.408 7.484 1.00 20.30 H new ATOM 0 HB3 ALA B 125 9.016 0.529 6.512 1.00 20.30 H new ATOM 1343 N LEU B 126 6.769 1.785 7.664 1.00 31.40 N ATOM 1344 CA LEU B 126 5.890 2.946 7.591 1.00 20.40 C ATOM 1345 C LEU B 126 4.921 2.971 8.770 1.00 65.00 C ATOM 1346 O LEU B 126 4.519 4.038 9.233 1.00 65.00 O ATOM 1347 CB LEU B 126 5.110 2.939 6.275 1.00 53.30 C ATOM 1348 CG LEU B 126 5.820 3.608 5.097 1.00 35.50 C ATOM 1349 CD1 LEU B 126 5.433 2.934 3.790 1.00 22.50 C ATOM 1350 CD2 LEU B 126 5.493 5.093 5.053 1.00 21.10 C ATOM 0 H LEU B 126 6.634 1.106 6.915 1.00 31.40 H new ATOM 0 HA LEU B 126 6.509 3.842 7.634 1.00 20.40 H new ATOM 0 HB2 LEU B 126 4.889 1.906 6.007 1.00 53.30 H new ATOM 0 HB3 LEU B 126 4.154 3.438 6.434 1.00 53.30 H new ATOM 0 HG LEU B 126 6.896 3.498 5.233 1.00 35.50 H new ATOM 0 HD11 LEU B 126 5.947 3.423 2.962 1.00 22.50 H new ATOM 0 HD12 LEU B 126 5.718 1.883 3.824 1.00 22.50 H new ATOM 0 HD13 LEU B 126 4.356 3.013 3.645 1.00 22.50 H new ATOM 0 HD21 LEU B 126 6.006 5.554 4.209 1.00 21.10 H new ATOM 0 HD22 LEU B 126 4.417 5.225 4.940 1.00 21.10 H new ATOM 0 HD23 LEU B 126 5.821 5.565 5.979 1.00 21.10 H new