USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 889 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: B 111 LYS NZ :NH3+ -159:sc= 0.695 (180deg=-0.197) USER MOD Set 1.2: B 115 GLN : amide:sc= -0.36 K(o=0.33,f=-4) USER MOD Set 2.1: B 106 GLN : amide:sc= 0.239 K(o=1.1,f=-1) USER MOD Set 2.2: B 110 TYR OH : rot 65:sc= 0.867 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.115 (180deg=-0.584) USER MOD Single : A 1 MET N :NH3+ 159:sc= 1.32 (180deg=0.818) USER MOD Single : A 3 SER OG : rot 10:sc= 0.862 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 145:sc= -0.334 (180deg=-1.87!) USER MOD Single : A 13 TYR OH : rot 180:sc= -0.536 USER MOD Single : A 14 GLN : amide:sc= -1.72! C(o=-1.7!,f=-3.6!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.938 K(o=-0.94,f=-1.6) USER MOD Single : A 22 GLN :FLIP amide:sc= -1.21 F(o=-2.4!,f=-1.2) USER MOD Single : A 24 GLN :FLIP amide:sc= -0.318 F(o=-0.98,f=-0.32) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.212 X(o=-0.21,f=-0.003) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -176:sc= 1.21 (180deg=1.08) USER MOD Single : A 39 GLN : amide:sc= -0.0351 X(o=-0.035,f=-0.035) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -16:sc= 0.731 USER MOD Single : A 53 ASN :FLIP amide:sc= -0.0428 F(o=-1.2!,f=-0.043) USER MOD Single : B 88 SER OG : rot -150:sc= 0.666 USER MOD Single : B 100 GLN : amide:sc= -0.466! X(o=-0.47!,f=-0.24) USER MOD Single : B 101 TYR OH : rot 180:sc= 0 USER MOD Single : B 107 ASN : amide:sc= -0.693 K(o=-0.69,f=-1.8) USER MOD Single : B 112 LYS NZ :NH3+ 165:sc= -0.0368 (180deg=-0.264) USER MOD Single : B 123 LYS NZ :NH3+ 171:sc= -8.7! (180deg=-9.17!) USER MOD Single : B 130 SER OG : rot -32:sc= 0.397 USER MOD Single : B 133 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 26.860 -0.810 -8.485 1.00 0.00 N ATOM 2 CA MET A 1 27.681 -0.079 -7.493 1.00 0.00 C ATOM 3 C MET A 1 27.220 -0.383 -6.070 1.00 0.00 C ATOM 4 O MET A 1 26.954 0.531 -5.283 1.00 0.00 O ATOM 5 CB MET A 1 27.615 1.431 -7.752 1.00 0.00 C ATOM 6 CG MET A 1 28.299 1.870 -9.040 1.00 0.00 C ATOM 7 SD MET A 1 27.456 1.302 -10.531 1.00 0.00 S ATOM 8 CE MET A 1 25.912 2.203 -10.419 1.00 0.00 C ATOM 0 H1 MET A 1 26.935 -0.342 -9.411 1.00 0.00 H new ATOM 0 H2 MET A 1 27.201 -1.789 -8.564 1.00 0.00 H new ATOM 0 H3 MET A 1 25.866 -0.813 -8.178 1.00 0.00 H new ATOM 0 HA MET A 1 28.713 -0.414 -7.600 1.00 0.00 H new ATOM 0 HB2 MET A 1 26.570 1.738 -7.785 1.00 0.00 H new ATOM 0 HB3 MET A 1 28.074 1.953 -6.913 1.00 0.00 H new ATOM 0 HG2 MET A 1 28.359 2.958 -9.058 1.00 0.00 H new ATOM 0 HG3 MET A 1 29.322 1.495 -9.045 1.00 0.00 H new ATOM 0 HE1 MET A 1 25.435 2.231 -11.399 1.00 0.00 H new ATOM 0 HE2 MET A 1 25.252 1.706 -9.708 1.00 0.00 H new ATOM 0 HE3 MET A 1 26.108 3.221 -10.082 1.00 0.00 H new ATOM 20 N ASP A 2 27.135 -1.668 -5.735 1.00 0.00 N ATOM 21 CA ASP A 2 26.697 -2.091 -4.407 1.00 0.00 C ATOM 22 C ASP A 2 27.771 -1.809 -3.366 1.00 0.00 C ATOM 23 O ASP A 2 27.470 -1.489 -2.219 1.00 0.00 O ATOM 24 CB ASP A 2 26.343 -3.589 -4.390 1.00 0.00 C ATOM 25 CG ASP A 2 27.506 -4.487 -4.778 1.00 0.00 C ATOM 26 OD1 ASP A 2 28.413 -4.706 -3.945 1.00 0.00 O ATOM 27 OD2 ASP A 2 27.518 -4.981 -5.923 1.00 0.00 O ATOM 0 H ASP A 2 27.364 -2.436 -6.366 1.00 0.00 H new ATOM 0 HA ASP A 2 25.804 -1.517 -4.160 1.00 0.00 H new ATOM 0 HB2 ASP A 2 25.999 -3.862 -3.392 1.00 0.00 H new ATOM 0 HB3 ASP A 2 25.512 -3.767 -5.073 1.00 0.00 H new ATOM 32 N SER A 3 29.023 -1.905 -3.782 1.00 0.00 N ATOM 33 CA SER A 3 30.144 -1.736 -2.874 1.00 0.00 C ATOM 34 C SER A 3 30.481 -0.260 -2.699 1.00 0.00 C ATOM 35 O SER A 3 31.316 0.108 -1.874 1.00 0.00 O ATOM 36 CB SER A 3 31.350 -2.503 -3.407 1.00 0.00 C ATOM 37 OG SER A 3 31.000 -3.850 -3.698 1.00 0.00 O ATOM 0 H SER A 3 29.289 -2.100 -4.747 1.00 0.00 H new ATOM 0 HA SER A 3 29.871 -2.133 -1.896 1.00 0.00 H new ATOM 0 HB2 SER A 3 31.727 -2.017 -4.307 1.00 0.00 H new ATOM 0 HB3 SER A 3 32.155 -2.482 -2.672 1.00 0.00 H new ATOM 0 HG SER A 3 30.027 -3.954 -3.645 1.00 0.00 H new ATOM 43 N ALA A 4 29.814 0.581 -3.479 1.00 0.00 N ATOM 44 CA ALA A 4 30.007 2.021 -3.404 1.00 0.00 C ATOM 45 C ALA A 4 29.134 2.623 -2.315 1.00 0.00 C ATOM 46 O ALA A 4 29.286 3.789 -1.950 1.00 0.00 O ATOM 47 CB ALA A 4 29.681 2.660 -4.741 1.00 0.00 C ATOM 0 H ALA A 4 29.130 0.286 -4.176 1.00 0.00 H new ATOM 0 HA ALA A 4 31.051 2.216 -3.159 1.00 0.00 H new ATOM 0 HB1 ALA A 4 29.829 3.738 -4.675 1.00 0.00 H new ATOM 0 HB2 ALA A 4 30.337 2.251 -5.509 1.00 0.00 H new ATOM 0 HB3 ALA A 4 28.643 2.451 -5.001 1.00 0.00 H new ATOM 53 N ILE A 5 28.204 1.825 -1.820 1.00 0.00 N ATOM 54 CA ILE A 5 27.303 2.255 -0.763 1.00 0.00 C ATOM 55 C ILE A 5 28.001 2.192 0.591 1.00 0.00 C ATOM 56 O ILE A 5 28.180 1.111 1.155 1.00 0.00 O ATOM 57 CB ILE A 5 26.040 1.367 -0.717 1.00 0.00 C ATOM 58 CG1 ILE A 5 25.393 1.292 -2.103 1.00 0.00 C ATOM 59 CG2 ILE A 5 25.049 1.904 0.307 1.00 0.00 C ATOM 60 CD1 ILE A 5 24.229 0.328 -2.183 1.00 0.00 C ATOM 0 H ILE A 5 28.052 0.867 -2.136 1.00 0.00 H new ATOM 0 HA ILE A 5 27.010 3.283 -0.978 1.00 0.00 H new ATOM 0 HB ILE A 5 26.333 0.361 -0.417 1.00 0.00 H new ATOM 0 HG12 ILE A 5 25.049 2.286 -2.387 1.00 0.00 H new ATOM 0 HG13 ILE A 5 26.149 0.996 -2.831 1.00 0.00 H new ATOM 0 HG21 ILE A 5 24.165 1.267 0.327 1.00 0.00 H new ATOM 0 HG22 ILE A 5 25.513 1.911 1.293 1.00 0.00 H new ATOM 0 HG23 ILE A 5 24.759 2.919 0.035 1.00 0.00 H new ATOM 0 HD11 ILE A 5 23.824 0.330 -3.195 1.00 0.00 H new ATOM 0 HD12 ILE A 5 24.570 -0.676 -1.931 1.00 0.00 H new ATOM 0 HD13 ILE A 5 23.454 0.635 -1.481 1.00 0.00 H new ATOM 72 N SER A 6 28.404 3.342 1.109 1.00 0.00 N ATOM 73 CA SER A 6 29.029 3.394 2.416 1.00 0.00 C ATOM 74 C SER A 6 27.941 3.490 3.475 1.00 0.00 C ATOM 75 O SER A 6 26.755 3.450 3.137 1.00 0.00 O ATOM 76 CB SER A 6 29.976 4.593 2.498 1.00 0.00 C ATOM 77 OG SER A 6 30.817 4.657 1.356 1.00 0.00 O ATOM 0 H SER A 6 28.309 4.246 0.645 1.00 0.00 H new ATOM 0 HA SER A 6 29.616 2.491 2.585 1.00 0.00 H new ATOM 0 HB2 SER A 6 29.397 5.513 2.580 1.00 0.00 H new ATOM 0 HB3 SER A 6 30.585 4.519 3.399 1.00 0.00 H new ATOM 0 HG SER A 6 31.412 5.432 1.431 1.00 0.00 H new ATOM 83 N LYS A 7 28.307 3.624 4.744 1.00 0.00 N ATOM 84 CA LYS A 7 27.294 3.774 5.776 1.00 0.00 C ATOM 85 C LYS A 7 26.529 5.075 5.549 1.00 0.00 C ATOM 86 O LYS A 7 25.374 5.208 5.945 1.00 0.00 O ATOM 87 CB LYS A 7 27.896 3.754 7.180 1.00 0.00 C ATOM 88 CG LYS A 7 26.842 3.539 8.252 1.00 0.00 C ATOM 89 CD LYS A 7 27.361 3.781 9.661 1.00 0.00 C ATOM 90 CE LYS A 7 28.118 2.580 10.227 1.00 0.00 C ATOM 91 NZ LYS A 7 29.442 2.365 9.586 1.00 0.00 N ATOM 0 H LYS A 7 29.272 3.632 5.076 1.00 0.00 H new ATOM 0 HA LYS A 7 26.614 2.925 5.706 1.00 0.00 H new ATOM 0 HB2 LYS A 7 28.642 2.962 7.242 1.00 0.00 H new ATOM 0 HB3 LYS A 7 28.414 4.695 7.365 1.00 0.00 H new ATOM 0 HG2 LYS A 7 26.000 4.205 8.063 1.00 0.00 H new ATOM 0 HG3 LYS A 7 26.464 2.519 8.181 1.00 0.00 H new ATOM 0 HD2 LYS A 7 28.019 4.650 9.657 1.00 0.00 H new ATOM 0 HD3 LYS A 7 26.523 4.018 10.316 1.00 0.00 H new ATOM 0 HE2 LYS A 7 28.259 2.720 11.299 1.00 0.00 H new ATOM 0 HE3 LYS A 7 27.511 1.684 10.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 30.117 2.010 10.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 29.347 1.669 8.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 29.789 3.265 9.197 1.00 0.00 H new ATOM 105 N GLU A 8 27.193 6.018 4.888 1.00 0.00 N ATOM 106 CA GLU A 8 26.583 7.273 4.466 1.00 0.00 C ATOM 107 C GLU A 8 25.269 7.034 3.724 1.00 0.00 C ATOM 108 O GLU A 8 24.203 7.482 4.156 1.00 0.00 O ATOM 109 CB GLU A 8 27.552 8.021 3.553 1.00 0.00 C ATOM 110 CG GLU A 8 28.831 8.456 4.245 1.00 0.00 C ATOM 111 CD GLU A 8 28.594 9.509 5.305 1.00 0.00 C ATOM 112 OE1 GLU A 8 28.080 9.169 6.392 1.00 0.00 O ATOM 113 OE2 GLU A 8 28.938 10.686 5.065 1.00 0.00 O ATOM 0 H GLU A 8 28.176 5.932 4.629 1.00 0.00 H new ATOM 0 HA GLU A 8 26.367 7.864 5.356 1.00 0.00 H new ATOM 0 HB2 GLU A 8 27.806 7.382 2.707 1.00 0.00 H new ATOM 0 HB3 GLU A 8 27.051 8.901 3.149 1.00 0.00 H new ATOM 0 HG2 GLU A 8 29.305 7.587 4.702 1.00 0.00 H new ATOM 0 HG3 GLU A 8 29.527 8.845 3.502 1.00 0.00 H new ATOM 120 N ASP A 9 25.356 6.317 2.609 1.00 0.00 N ATOM 121 CA ASP A 9 24.189 6.041 1.778 1.00 0.00 C ATOM 122 C ASP A 9 23.298 4.995 2.438 1.00 0.00 C ATOM 123 O ASP A 9 22.089 4.955 2.213 1.00 0.00 O ATOM 124 CB ASP A 9 24.629 5.568 0.391 1.00 0.00 C ATOM 125 CG ASP A 9 23.470 5.353 -0.564 1.00 0.00 C ATOM 126 OD1 ASP A 9 23.361 4.247 -1.128 1.00 0.00 O ATOM 127 OD2 ASP A 9 22.672 6.294 -0.769 1.00 0.00 O ATOM 0 H ASP A 9 26.226 5.915 2.259 1.00 0.00 H new ATOM 0 HA ASP A 9 23.615 6.961 1.668 1.00 0.00 H new ATOM 0 HB2 ASP A 9 25.312 6.302 -0.036 1.00 0.00 H new ATOM 0 HB3 ASP A 9 25.186 4.636 0.492 1.00 0.00 H new ATOM 132 N GLU A 10 23.902 4.160 3.271 1.00 0.00 N ATOM 133 CA GLU A 10 23.159 3.158 4.016 1.00 0.00 C ATOM 134 C GLU A 10 22.184 3.819 4.987 1.00 0.00 C ATOM 135 O GLU A 10 20.983 3.570 4.926 1.00 0.00 O ATOM 136 CB GLU A 10 24.118 2.237 4.763 1.00 0.00 C ATOM 137 CG GLU A 10 23.420 1.216 5.636 1.00 0.00 C ATOM 138 CD GLU A 10 24.365 0.159 6.156 1.00 0.00 C ATOM 139 OE1 GLU A 10 24.960 0.359 7.233 1.00 0.00 O ATOM 140 OE2 GLU A 10 24.523 -0.884 5.488 1.00 0.00 O ATOM 0 H GLU A 10 24.907 4.158 3.447 1.00 0.00 H new ATOM 0 HA GLU A 10 22.582 2.561 3.310 1.00 0.00 H new ATOM 0 HB2 GLU A 10 24.746 1.716 4.040 1.00 0.00 H new ATOM 0 HB3 GLU A 10 24.780 2.841 5.383 1.00 0.00 H new ATOM 0 HG2 GLU A 10 22.949 1.724 6.478 1.00 0.00 H new ATOM 0 HG3 GLU A 10 22.624 0.738 5.065 1.00 0.00 H new ATOM 147 N GLU A 11 22.707 4.663 5.877 1.00 0.00 N ATOM 148 CA GLU A 11 21.870 5.425 6.804 1.00 0.00 C ATOM 149 C GLU A 11 20.835 6.254 6.048 1.00 0.00 C ATOM 150 O GLU A 11 19.721 6.471 6.531 1.00 0.00 O ATOM 151 CB GLU A 11 22.716 6.349 7.687 1.00 0.00 C ATOM 152 CG GLU A 11 23.639 5.620 8.649 1.00 0.00 C ATOM 153 CD GLU A 11 24.250 6.552 9.670 1.00 0.00 C ATOM 154 OE1 GLU A 11 23.737 6.612 10.808 1.00 0.00 O ATOM 155 OE2 GLU A 11 25.241 7.237 9.342 1.00 0.00 O ATOM 0 H GLU A 11 23.707 4.836 5.975 1.00 0.00 H new ATOM 0 HA GLU A 11 21.356 4.705 7.441 1.00 0.00 H new ATOM 0 HB2 GLU A 11 23.315 6.996 7.046 1.00 0.00 H new ATOM 0 HB3 GLU A 11 22.050 6.995 8.259 1.00 0.00 H new ATOM 0 HG2 GLU A 11 23.081 4.837 9.162 1.00 0.00 H new ATOM 0 HG3 GLU A 11 24.433 5.129 8.086 1.00 0.00 H new ATOM 162 N ARG A 12 21.218 6.724 4.865 1.00 0.00 N ATOM 163 CA ARG A 12 20.306 7.443 3.984 1.00 0.00 C ATOM 164 C ARG A 12 19.119 6.553 3.623 1.00 0.00 C ATOM 165 O ARG A 12 17.960 6.956 3.758 1.00 0.00 O ATOM 166 CB ARG A 12 21.046 7.879 2.716 1.00 0.00 C ATOM 167 CG ARG A 12 20.168 8.565 1.684 1.00 0.00 C ATOM 168 CD ARG A 12 20.941 8.852 0.407 1.00 0.00 C ATOM 169 NE ARG A 12 21.995 9.850 0.605 1.00 0.00 N ATOM 170 CZ ARG A 12 23.162 9.848 -0.041 1.00 0.00 C ATOM 171 NH1 ARG A 12 23.504 8.822 -0.810 1.00 0.00 N ATOM 172 NH2 ARG A 12 24.008 10.855 0.122 1.00 0.00 N ATOM 0 H ARG A 12 22.162 6.618 4.493 1.00 0.00 H new ATOM 0 HA ARG A 12 19.935 8.329 4.499 1.00 0.00 H new ATOM 0 HB2 ARG A 12 21.854 8.555 2.995 1.00 0.00 H new ATOM 0 HB3 ARG A 12 21.507 7.003 2.259 1.00 0.00 H new ATOM 0 HG2 ARG A 12 19.308 7.934 1.458 1.00 0.00 H new ATOM 0 HG3 ARG A 12 19.780 9.497 2.095 1.00 0.00 H new ATOM 0 HD2 ARG A 12 21.385 7.927 0.038 1.00 0.00 H new ATOM 0 HD3 ARG A 12 20.252 9.203 -0.361 1.00 0.00 H new ATOM 0 HE ARG A 12 21.825 10.595 1.281 1.00 0.00 H new ATOM 0 HH11 ARG A 12 22.873 8.027 -0.910 1.00 0.00 H new ATOM 0 HH12 ARG A 12 24.398 8.828 -1.301 1.00 0.00 H new ATOM 0 HH21 ARG A 12 23.766 11.629 0.740 1.00 0.00 H new ATOM 0 HH22 ARG A 12 24.901 10.856 -0.371 1.00 0.00 H new ATOM 186 N TYR A 13 19.421 5.336 3.187 1.00 0.00 N ATOM 187 CA TYR A 13 18.401 4.357 2.844 1.00 0.00 C ATOM 188 C TYR A 13 17.572 3.970 4.068 1.00 0.00 C ATOM 189 O TYR A 13 16.350 3.924 3.999 1.00 0.00 O ATOM 190 CB TYR A 13 19.051 3.116 2.220 1.00 0.00 C ATOM 191 CG TYR A 13 18.156 1.899 2.197 1.00 0.00 C ATOM 192 CD1 TYR A 13 16.950 1.907 1.507 1.00 0.00 C ATOM 193 CD2 TYR A 13 18.518 0.746 2.879 1.00 0.00 C ATOM 194 CE1 TYR A 13 16.130 0.797 1.498 1.00 0.00 C ATOM 195 CE2 TYR A 13 17.707 -0.368 2.872 1.00 0.00 C ATOM 196 CZ TYR A 13 16.515 -0.341 2.184 1.00 0.00 C ATOM 197 OH TYR A 13 15.705 -1.453 2.190 1.00 0.00 O ATOM 0 H TYR A 13 20.377 5.002 3.062 1.00 0.00 H new ATOM 0 HA TYR A 13 17.727 4.808 2.115 1.00 0.00 H new ATOM 0 HB2 TYR A 13 19.353 3.351 1.200 1.00 0.00 H new ATOM 0 HB3 TYR A 13 19.959 2.876 2.774 1.00 0.00 H new ATOM 0 HD1 TYR A 13 16.650 2.795 0.970 1.00 0.00 H new ATOM 0 HD2 TYR A 13 19.450 0.721 3.424 1.00 0.00 H new ATOM 0 HE1 TYR A 13 15.194 0.817 0.959 1.00 0.00 H new ATOM 0 HE2 TYR A 13 18.005 -1.259 3.404 1.00 0.00 H new ATOM 0 HH TYR A 13 16.127 -2.162 2.718 1.00 0.00 H new ATOM 207 N GLN A 14 18.240 3.687 5.179 1.00 0.00 N ATOM 208 CA GLN A 14 17.562 3.313 6.422 1.00 0.00 C ATOM 209 C GLN A 14 16.466 4.306 6.800 1.00 0.00 C ATOM 210 O GLN A 14 15.309 3.928 6.984 1.00 0.00 O ATOM 211 CB GLN A 14 18.568 3.216 7.558 1.00 0.00 C ATOM 212 CG GLN A 14 19.656 2.189 7.311 1.00 0.00 C ATOM 213 CD GLN A 14 20.402 1.798 8.570 1.00 0.00 C ATOM 214 OE1 GLN A 14 21.590 1.484 8.526 1.00 0.00 O ATOM 215 NE2 GLN A 14 19.709 1.789 9.697 1.00 0.00 N ATOM 0 H GLN A 14 19.257 3.709 5.248 1.00 0.00 H new ATOM 0 HA GLN A 14 17.094 2.343 6.254 1.00 0.00 H new ATOM 0 HB2 GLN A 14 19.028 4.192 7.711 1.00 0.00 H new ATOM 0 HB3 GLN A 14 18.042 2.964 8.479 1.00 0.00 H new ATOM 0 HG2 GLN A 14 19.212 1.298 6.868 1.00 0.00 H new ATOM 0 HG3 GLN A 14 20.365 2.587 6.585 1.00 0.00 H new ATOM 0 HE21 GLN A 14 18.725 2.056 9.693 1.00 0.00 H new ATOM 0 HE22 GLN A 14 20.159 1.515 10.570 1.00 0.00 H new ATOM 224 N LYS A 15 16.840 5.567 6.935 1.00 0.00 N ATOM 225 CA LYS A 15 15.878 6.625 7.211 1.00 0.00 C ATOM 226 C LYS A 15 14.803 6.680 6.131 1.00 0.00 C ATOM 227 O LYS A 15 13.637 6.956 6.409 1.00 0.00 O ATOM 228 CB LYS A 15 16.585 7.979 7.310 1.00 0.00 C ATOM 229 CG LYS A 15 17.423 8.147 8.567 1.00 0.00 C ATOM 230 CD LYS A 15 16.563 8.212 9.820 1.00 0.00 C ATOM 231 CE LYS A 15 15.665 9.438 9.813 1.00 0.00 C ATOM 232 NZ LYS A 15 14.802 9.505 11.022 1.00 0.00 N ATOM 0 H LYS A 15 17.806 5.886 6.858 1.00 0.00 H new ATOM 0 HA LYS A 15 15.400 6.403 8.165 1.00 0.00 H new ATOM 0 HB2 LYS A 15 17.226 8.107 6.438 1.00 0.00 H new ATOM 0 HB3 LYS A 15 15.837 8.771 7.275 1.00 0.00 H new ATOM 0 HG2 LYS A 15 18.123 7.315 8.650 1.00 0.00 H new ATOM 0 HG3 LYS A 15 18.018 9.057 8.488 1.00 0.00 H new ATOM 0 HD2 LYS A 15 15.952 7.312 9.891 1.00 0.00 H new ATOM 0 HD3 LYS A 15 17.203 8.233 10.702 1.00 0.00 H new ATOM 0 HE2 LYS A 15 16.279 10.337 9.756 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.039 9.423 8.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 14.206 10.356 10.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 14.197 8.660 11.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 15.399 9.546 11.873 1.00 0.00 H new ATOM 246 N LEU A 16 15.206 6.383 4.907 1.00 0.00 N ATOM 247 CA LEU A 16 14.317 6.434 3.757 1.00 0.00 C ATOM 248 C LEU A 16 13.198 5.408 3.880 1.00 0.00 C ATOM 249 O LEU A 16 12.036 5.712 3.610 1.00 0.00 O ATOM 250 CB LEU A 16 15.118 6.179 2.485 1.00 0.00 C ATOM 251 CG LEU A 16 14.456 6.602 1.183 1.00 0.00 C ATOM 252 CD1 LEU A 16 14.017 8.060 1.255 1.00 0.00 C ATOM 253 CD2 LEU A 16 15.428 6.374 0.042 1.00 0.00 C ATOM 0 H LEU A 16 16.160 6.099 4.682 1.00 0.00 H new ATOM 0 HA LEU A 16 13.863 7.424 3.715 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.072 6.699 2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.340 5.113 2.427 1.00 0.00 H new ATOM 0 HG LEU A 16 13.562 6.003 1.012 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.545 8.345 0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 16 13.305 8.186 2.071 1.00 0.00 H new ATOM 0 HD13 LEU A 16 14.886 8.693 1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 16 14.963 6.674 -0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 16 16.328 6.966 0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 16 15.692 5.318 -0.005 1.00 0.00 H new ATOM 265 N VAL A 17 13.555 4.192 4.288 1.00 0.00 N ATOM 266 CA VAL A 17 12.567 3.131 4.469 1.00 0.00 C ATOM 267 C VAL A 17 11.541 3.565 5.497 1.00 0.00 C ATOM 268 O VAL A 17 10.354 3.305 5.347 1.00 0.00 O ATOM 269 CB VAL A 17 13.206 1.782 4.898 1.00 0.00 C ATOM 270 CG1 VAL A 17 14.535 1.598 4.211 1.00 0.00 C ATOM 271 CG2 VAL A 17 13.366 1.666 6.409 1.00 0.00 C ATOM 0 H VAL A 17 14.515 3.918 4.498 1.00 0.00 H new ATOM 0 HA VAL A 17 12.089 2.964 3.504 1.00 0.00 H new ATOM 0 HB VAL A 17 12.525 0.988 4.591 1.00 0.00 H new ATOM 0 HG11 VAL A 17 14.975 0.649 4.518 1.00 0.00 H new ATOM 0 HG12 VAL A 17 14.389 1.597 3.131 1.00 0.00 H new ATOM 0 HG13 VAL A 17 15.203 2.414 4.486 1.00 0.00 H new ATOM 0 HG21 VAL A 17 13.817 0.705 6.654 1.00 0.00 H new ATOM 0 HG22 VAL A 17 14.007 2.470 6.770 1.00 0.00 H new ATOM 0 HG23 VAL A 17 12.388 1.740 6.885 1.00 0.00 H new ATOM 281 N THR A 18 12.011 4.271 6.517 1.00 0.00 N ATOM 282 CA THR A 18 11.144 4.778 7.554 1.00 0.00 C ATOM 283 C THR A 18 10.102 5.707 6.944 1.00 0.00 C ATOM 284 O THR A 18 8.911 5.546 7.183 1.00 0.00 O ATOM 285 CB THR A 18 11.968 5.492 8.656 1.00 0.00 C ATOM 286 OG1 THR A 18 11.884 4.760 9.885 1.00 0.00 O ATOM 287 CG2 THR A 18 11.509 6.922 8.879 1.00 0.00 C ATOM 0 H THR A 18 12.996 4.503 6.642 1.00 0.00 H new ATOM 0 HA THR A 18 10.625 3.944 8.027 1.00 0.00 H new ATOM 0 HB THR A 18 13.003 5.526 8.315 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.409 5.217 10.575 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.115 7.381 9.660 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.619 7.488 7.954 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.462 6.925 9.184 1.00 0.00 H new ATOM 295 N GLU A 19 10.562 6.633 6.108 1.00 0.00 N ATOM 296 CA GLU A 19 9.690 7.590 5.444 1.00 0.00 C ATOM 297 C GLU A 19 8.643 6.864 4.618 1.00 0.00 C ATOM 298 O GLU A 19 7.472 7.246 4.586 1.00 0.00 O ATOM 299 CB GLU A 19 10.530 8.496 4.548 1.00 0.00 C ATOM 300 CG GLU A 19 11.601 9.251 5.320 1.00 0.00 C ATOM 301 CD GLU A 19 11.030 10.346 6.191 1.00 0.00 C ATOM 302 OE1 GLU A 19 10.994 10.178 7.426 1.00 0.00 O ATOM 303 OE2 GLU A 19 10.605 11.385 5.640 1.00 0.00 O ATOM 0 H GLU A 19 11.549 6.739 5.873 1.00 0.00 H new ATOM 0 HA GLU A 19 9.178 8.193 6.194 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.003 7.895 3.771 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.878 9.210 4.046 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.157 8.550 5.943 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.312 9.685 4.617 1.00 0.00 H new ATOM 310 N ASN A 20 9.091 5.792 3.992 1.00 0.00 N ATOM 311 CA ASN A 20 8.276 4.998 3.094 1.00 0.00 C ATOM 312 C ASN A 20 7.220 4.198 3.864 1.00 0.00 C ATOM 313 O ASN A 20 6.065 4.121 3.448 1.00 0.00 O ATOM 314 CB ASN A 20 9.202 4.067 2.312 1.00 0.00 C ATOM 315 CG ASN A 20 8.560 3.431 1.098 1.00 0.00 C ATOM 316 OD1 ASN A 20 7.613 3.960 0.522 1.00 0.00 O ATOM 317 ND2 ASN A 20 9.101 2.294 0.690 1.00 0.00 N ATOM 0 H ASN A 20 10.044 5.444 4.095 1.00 0.00 H new ATOM 0 HA ASN A 20 7.738 5.653 2.409 1.00 0.00 H new ATOM 0 HB2 ASN A 20 10.079 4.630 1.993 1.00 0.00 H new ATOM 0 HB3 ASN A 20 9.554 3.279 2.978 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.732 1.821 -0.135 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.887 1.891 1.200 1.00 0.00 H new ATOM 324 N GLU A 21 7.616 3.605 4.988 1.00 0.00 N ATOM 325 CA GLU A 21 6.703 2.811 5.804 1.00 0.00 C ATOM 326 C GLU A 21 5.597 3.655 6.426 1.00 0.00 C ATOM 327 O GLU A 21 4.479 3.173 6.629 1.00 0.00 O ATOM 328 CB GLU A 21 7.484 2.115 6.902 1.00 0.00 C ATOM 329 CG GLU A 21 8.586 1.243 6.354 1.00 0.00 C ATOM 330 CD GLU A 21 8.089 -0.081 5.816 1.00 0.00 C ATOM 331 OE1 GLU A 21 8.544 -0.491 4.727 1.00 0.00 O ATOM 332 OE2 GLU A 21 7.247 -0.723 6.477 1.00 0.00 O ATOM 0 H GLU A 21 8.566 3.660 5.355 1.00 0.00 H new ATOM 0 HA GLU A 21 6.229 2.080 5.149 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.913 2.862 7.570 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.805 1.506 7.499 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.103 1.780 5.559 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.317 1.056 7.140 1.00 0.00 H new ATOM 339 N GLN A 22 5.910 4.908 6.738 1.00 0.00 N ATOM 340 CA GLN A 22 4.950 5.790 7.400 1.00 0.00 C ATOM 341 C GLN A 22 3.703 5.971 6.554 1.00 0.00 C ATOM 342 O GLN A 22 2.606 5.550 6.923 1.00 0.00 O ATOM 343 CB GLN A 22 5.530 7.183 7.657 1.00 0.00 C ATOM 344 CG GLN A 22 6.918 7.195 8.276 1.00 0.00 C ATOM 345 CD GLN A 22 7.428 8.600 8.510 1.00 0.00 C ATOM 346 OE1 GLN A 22 8.728 8.781 8.389 1.00 0.00 O flip ATOM 347 NE2 GLN A 22 6.655 9.517 8.784 1.00 0.00 N flip ATOM 0 H GLN A 22 6.816 5.336 6.545 1.00 0.00 H new ATOM 0 HA GLN A 22 4.709 5.310 8.349 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.565 7.726 6.712 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.851 7.728 8.313 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.896 6.656 9.223 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.610 6.663 7.623 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.655 9.333 8.868 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.014 10.461 8.927 1.00 0.00 H new ATOM 356 N LEU A 23 3.892 6.587 5.402 1.00 0.00 N ATOM 357 CA LEU A 23 2.779 7.084 4.619 1.00 0.00 C ATOM 358 C LEU A 23 2.101 5.992 3.797 1.00 0.00 C ATOM 359 O LEU A 23 0.954 6.157 3.396 1.00 0.00 O ATOM 360 CB LEU A 23 3.222 8.274 3.753 1.00 0.00 C ATOM 361 CG LEU A 23 4.010 7.973 2.477 1.00 0.00 C ATOM 362 CD1 LEU A 23 4.546 9.264 1.893 1.00 0.00 C ATOM 363 CD2 LEU A 23 5.151 6.999 2.711 1.00 0.00 C ATOM 0 H LEU A 23 4.809 6.755 4.988 1.00 0.00 H new ATOM 0 HA LEU A 23 2.019 7.437 5.316 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.330 8.834 3.472 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.829 8.933 4.374 1.00 0.00 H new ATOM 0 HG LEU A 23 3.323 7.499 1.776 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.107 9.047 0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.715 9.929 1.657 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.202 9.746 2.618 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.676 6.821 1.772 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.844 7.419 3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.753 6.057 3.088 1.00 0.00 H new ATOM 375 N GLN A 24 2.780 4.869 3.566 1.00 0.00 N ATOM 376 CA GLN A 24 2.140 3.751 2.874 1.00 0.00 C ATOM 377 C GLN A 24 1.053 3.149 3.759 1.00 0.00 C ATOM 378 O GLN A 24 0.050 2.629 3.271 1.00 0.00 O ATOM 379 CB GLN A 24 3.150 2.676 2.466 1.00 0.00 C ATOM 380 CG GLN A 24 3.842 1.994 3.630 1.00 0.00 C ATOM 381 CD GLN A 24 4.765 0.884 3.176 1.00 0.00 C ATOM 382 OE1 GLN A 24 5.998 1.236 2.862 1.00 0.00 O flip ATOM 383 NE2 GLN A 24 4.366 -0.277 3.094 1.00 0.00 N flip ATOM 0 H GLN A 24 3.750 4.710 3.840 1.00 0.00 H new ATOM 0 HA GLN A 24 1.692 4.138 1.959 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.638 1.921 1.870 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.906 3.129 1.825 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.413 2.732 4.193 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.092 1.586 4.308 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.405 -0.505 3.347 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.997 -1.012 2.773 1.00 0.00 H new ATOM 392 N ARG A 25 1.256 3.248 5.070 1.00 0.00 N ATOM 393 CA ARG A 25 0.258 2.842 6.033 1.00 0.00 C ATOM 394 C ARG A 25 -0.935 3.783 5.938 1.00 0.00 C ATOM 395 O ARG A 25 -2.086 3.359 5.937 1.00 0.00 O ATOM 396 CB ARG A 25 0.863 2.892 7.438 1.00 0.00 C ATOM 397 CG ARG A 25 -0.120 3.350 8.491 1.00 0.00 C ATOM 398 CD ARG A 25 0.582 3.875 9.733 1.00 0.00 C ATOM 399 NE ARG A 25 -0.373 4.329 10.739 1.00 0.00 N ATOM 400 CZ ARG A 25 -0.088 5.202 11.706 1.00 0.00 C ATOM 401 NH1 ARG A 25 1.141 5.696 11.823 1.00 0.00 N ATOM 402 NH2 ARG A 25 -1.034 5.577 12.558 1.00 0.00 N ATOM 0 H ARG A 25 2.114 3.611 5.485 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.072 1.824 5.826 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.235 1.902 7.703 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.721 3.564 7.434 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.757 4.131 8.077 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.771 2.520 8.766 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.211 3.091 10.155 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.241 4.699 9.458 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.321 3.954 10.700 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.871 5.407 11.171 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.354 6.363 12.564 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.977 5.198 12.472 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.818 6.245 13.298 1.00 0.00 H new ATOM 416 N LEU A 26 -0.628 5.067 5.835 1.00 0.00 N ATOM 417 CA LEU A 26 -1.638 6.110 5.757 1.00 0.00 C ATOM 418 C LEU A 26 -2.446 5.960 4.473 1.00 0.00 C ATOM 419 O LEU A 26 -3.655 6.197 4.450 1.00 0.00 O ATOM 420 CB LEU A 26 -0.943 7.472 5.826 1.00 0.00 C ATOM 421 CG LEU A 26 0.005 7.621 7.023 1.00 0.00 C ATOM 422 CD1 LEU A 26 0.818 8.900 6.931 1.00 0.00 C ATOM 423 CD2 LEU A 26 -0.776 7.583 8.326 1.00 0.00 C ATOM 0 H LEU A 26 0.330 5.415 5.803 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.333 6.027 6.592 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.380 7.630 4.906 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.700 8.254 5.874 1.00 0.00 H new ATOM 0 HG LEU A 26 0.700 6.782 7.004 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.479 8.974 7.795 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.414 8.888 6.018 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.146 9.758 6.914 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.089 7.690 9.165 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.498 8.400 8.342 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.302 6.632 8.407 1.00 0.00 H new ATOM 435 N ILE A 27 -1.765 5.540 3.415 1.00 0.00 N ATOM 436 CA ILE A 27 -2.414 5.218 2.154 1.00 0.00 C ATOM 437 C ILE A 27 -3.376 4.057 2.323 1.00 0.00 C ATOM 438 O ILE A 27 -4.546 4.170 1.983 1.00 0.00 O ATOM 439 CB ILE A 27 -1.385 4.848 1.074 1.00 0.00 C ATOM 440 CG1 ILE A 27 -0.543 6.058 0.713 1.00 0.00 C ATOM 441 CG2 ILE A 27 -2.062 4.286 -0.167 1.00 0.00 C ATOM 442 CD1 ILE A 27 0.573 5.719 -0.233 1.00 0.00 C ATOM 0 H ILE A 27 -0.753 5.414 3.408 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.960 6.108 1.841 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.736 4.073 1.481 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.180 6.818 0.261 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.126 6.491 1.622 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.306 4.034 -0.911 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.622 3.390 0.099 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.743 5.031 -0.579 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.144 6.619 -0.459 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.228 4.979 0.227 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.158 5.312 -1.155 1.00 0.00 H new ATOM 454 N THR A 28 -2.871 2.948 2.860 1.00 0.00 N ATOM 455 CA THR A 28 -3.676 1.737 3.038 1.00 0.00 C ATOM 456 C THR A 28 -4.974 2.032 3.808 1.00 0.00 C ATOM 457 O THR A 28 -5.982 1.351 3.616 1.00 0.00 O ATOM 458 CB THR A 28 -2.878 0.610 3.753 1.00 0.00 C ATOM 459 OG1 THR A 28 -3.238 -0.668 3.211 1.00 0.00 O ATOM 460 CG2 THR A 28 -3.139 0.594 5.254 1.00 0.00 C ATOM 0 H THR A 28 -1.907 2.861 3.181 1.00 0.00 H new ATOM 0 HA THR A 28 -3.936 1.387 2.039 1.00 0.00 H new ATOM 0 HB THR A 28 -1.820 0.810 3.586 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.729 -1.371 3.666 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.562 -0.208 5.715 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.841 1.550 5.685 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.201 0.429 5.437 1.00 0.00 H new ATOM 468 N GLN A 29 -4.942 3.056 4.665 1.00 0.00 N ATOM 469 CA GLN A 29 -6.123 3.480 5.414 1.00 0.00 C ATOM 470 C GLN A 29 -7.166 4.053 4.469 1.00 0.00 C ATOM 471 O GLN A 29 -8.309 3.602 4.424 1.00 0.00 O ATOM 472 CB GLN A 29 -5.748 4.553 6.436 1.00 0.00 C ATOM 473 CG GLN A 29 -4.677 4.127 7.418 1.00 0.00 C ATOM 474 CD GLN A 29 -5.162 3.073 8.391 1.00 0.00 C ATOM 475 OE1 GLN A 29 -5.677 3.392 9.464 1.00 0.00 O ATOM 476 NE2 GLN A 29 -4.998 1.812 8.031 1.00 0.00 N ATOM 0 H GLN A 29 -4.106 3.608 4.856 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.528 2.609 5.928 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.406 5.441 5.905 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.642 4.838 6.991 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.819 3.741 6.868 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.333 4.999 7.975 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.567 1.590 7.134 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.302 1.061 8.650 1.00 0.00 H new ATOM 485 N LYS A 30 -6.748 5.059 3.721 1.00 0.00 N ATOM 486 CA LYS A 30 -7.618 5.722 2.758 1.00 0.00 C ATOM 487 C LYS A 30 -8.041 4.741 1.666 1.00 0.00 C ATOM 488 O LYS A 30 -9.194 4.729 1.237 1.00 0.00 O ATOM 489 CB LYS A 30 -6.893 6.917 2.127 1.00 0.00 C ATOM 490 CG LYS A 30 -6.161 7.807 3.128 1.00 0.00 C ATOM 491 CD LYS A 30 -7.115 8.490 4.095 1.00 0.00 C ATOM 492 CE LYS A 30 -6.368 9.338 5.111 1.00 0.00 C ATOM 493 NZ LYS A 30 -7.294 10.117 5.976 1.00 0.00 N ATOM 0 H LYS A 30 -5.802 5.440 3.761 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.506 6.078 3.280 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.175 6.546 1.395 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.619 7.522 1.584 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.445 7.207 3.690 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.590 8.563 2.589 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.811 9.117 3.538 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.709 7.738 4.614 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.746 8.694 5.733 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.698 10.021 4.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.743 10.681 6.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.870 10.751 5.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.917 9.465 6.494 1.00 0.00 H new ATOM 507 N GLU A 31 -7.091 3.914 1.245 1.00 0.00 N ATOM 508 CA GLU A 31 -7.302 2.926 0.192 1.00 0.00 C ATOM 509 C GLU A 31 -8.497 2.032 0.469 1.00 0.00 C ATOM 510 O GLU A 31 -9.426 1.981 -0.331 1.00 0.00 O ATOM 511 CB GLU A 31 -6.048 2.072 0.028 1.00 0.00 C ATOM 512 CG GLU A 31 -5.037 2.665 -0.933 1.00 0.00 C ATOM 513 CD GLU A 31 -5.238 2.175 -2.347 1.00 0.00 C ATOM 514 OE1 GLU A 31 -4.277 1.637 -2.932 1.00 0.00 O ATOM 515 OE2 GLU A 31 -6.364 2.286 -2.872 1.00 0.00 O ATOM 0 H GLU A 31 -6.145 3.910 1.627 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.509 3.471 -0.729 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.578 1.940 1.002 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.336 1.081 -0.324 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.113 3.752 -0.913 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.030 2.410 -0.602 1.00 0.00 H new ATOM 522 N GLU A 32 -8.480 1.336 1.602 1.00 0.00 N ATOM 523 CA GLU A 32 -9.553 0.401 1.929 1.00 0.00 C ATOM 524 C GLU A 32 -10.914 1.087 1.893 1.00 0.00 C ATOM 525 O GLU A 32 -11.905 0.480 1.501 1.00 0.00 O ATOM 526 CB GLU A 32 -9.326 -0.259 3.293 1.00 0.00 C ATOM 527 CG GLU A 32 -8.851 0.695 4.376 1.00 0.00 C ATOM 528 CD GLU A 32 -8.881 0.074 5.752 1.00 0.00 C ATOM 529 OE1 GLU A 32 -8.056 -0.823 6.021 1.00 0.00 O ATOM 530 OE2 GLU A 32 -9.725 0.492 6.574 1.00 0.00 O ATOM 0 H GLU A 32 -7.743 1.400 2.304 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.541 -0.380 1.168 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.256 -0.725 3.618 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.592 -1.057 3.180 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.835 1.019 4.150 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.478 1.586 4.370 1.00 0.00 H new ATOM 537 N LYS A 33 -10.954 2.358 2.265 1.00 0.00 N ATOM 538 CA LYS A 33 -12.202 3.105 2.246 1.00 0.00 C ATOM 539 C LYS A 33 -12.615 3.416 0.806 1.00 0.00 C ATOM 540 O LYS A 33 -13.751 3.158 0.399 1.00 0.00 O ATOM 541 CB LYS A 33 -12.061 4.412 3.033 1.00 0.00 C ATOM 542 CG LYS A 33 -11.472 4.255 4.428 1.00 0.00 C ATOM 543 CD LYS A 33 -12.277 3.296 5.290 1.00 0.00 C ATOM 544 CE LYS A 33 -11.819 3.342 6.740 1.00 0.00 C ATOM 545 NZ LYS A 33 -10.363 3.067 6.884 1.00 0.00 N ATOM 0 H LYS A 33 -10.143 2.890 2.581 1.00 0.00 H new ATOM 0 HA LYS A 33 -12.971 2.491 2.715 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -11.433 5.097 2.463 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -13.043 4.876 3.118 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -10.446 3.895 4.348 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.431 5.230 4.914 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -13.335 3.552 5.232 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -12.172 2.282 4.905 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -12.044 4.323 7.158 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -12.383 2.611 7.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.112 3.042 7.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.138 2.149 6.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -9.820 3.817 6.411 1.00 0.00 H new ATOM 559 N ILE A 34 -11.678 3.955 0.033 1.00 0.00 N ATOM 560 CA ILE A 34 -11.959 4.397 -1.329 1.00 0.00 C ATOM 561 C ILE A 34 -12.229 3.225 -2.269 1.00 0.00 C ATOM 562 O ILE A 34 -13.024 3.345 -3.196 1.00 0.00 O ATOM 563 CB ILE A 34 -10.811 5.269 -1.885 1.00 0.00 C ATOM 564 CG1 ILE A 34 -10.687 6.536 -1.053 1.00 0.00 C ATOM 565 CG2 ILE A 34 -11.059 5.622 -3.340 1.00 0.00 C ATOM 566 CD1 ILE A 34 -9.315 7.170 -1.124 1.00 0.00 C ATOM 0 H ILE A 34 -10.712 4.097 0.328 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.865 5.001 -1.279 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.881 4.704 -1.827 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.431 7.258 -1.391 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.918 6.303 -0.014 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -10.238 6.236 -3.710 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -11.123 4.708 -3.930 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -11.994 6.176 -3.426 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.297 8.069 -0.508 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.569 6.465 -0.758 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.089 7.434 -2.157 1.00 0.00 H new ATOM 578 N ARG A 35 -11.588 2.094 -2.022 1.00 0.00 N ATOM 579 CA ARG A 35 -11.788 0.907 -2.850 1.00 0.00 C ATOM 580 C ARG A 35 -13.227 0.427 -2.773 1.00 0.00 C ATOM 581 O ARG A 35 -13.791 -0.050 -3.757 1.00 0.00 O ATOM 582 CB ARG A 35 -10.832 -0.205 -2.436 1.00 0.00 C ATOM 583 CG ARG A 35 -9.382 0.162 -2.709 1.00 0.00 C ATOM 584 CD ARG A 35 -8.421 -0.979 -2.440 1.00 0.00 C ATOM 585 NE ARG A 35 -7.040 -0.575 -2.710 1.00 0.00 N ATOM 586 CZ ARG A 35 -6.073 -1.404 -3.104 1.00 0.00 C ATOM 587 NH1 ARG A 35 -6.334 -2.686 -3.314 1.00 0.00 N ATOM 588 NH2 ARG A 35 -4.846 -0.942 -3.311 1.00 0.00 N ATOM 0 H ARG A 35 -10.925 1.969 -1.257 1.00 0.00 H new ATOM 0 HA ARG A 35 -11.575 1.178 -3.884 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -10.959 -0.416 -1.374 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.083 -1.119 -2.975 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.282 0.476 -3.748 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.106 1.016 -2.090 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.514 -1.301 -1.403 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -8.682 -1.834 -3.063 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.801 0.409 -2.588 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.279 -3.044 -3.174 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.590 -3.315 -3.615 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.643 0.047 -3.169 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.106 -1.576 -3.612 1.00 0.00 H new ATOM 602 N VAL A 36 -13.822 0.578 -1.606 1.00 0.00 N ATOM 603 CA VAL A 36 -15.227 0.258 -1.418 1.00 0.00 C ATOM 604 C VAL A 36 -16.087 1.250 -2.194 1.00 0.00 C ATOM 605 O VAL A 36 -17.134 0.902 -2.739 1.00 0.00 O ATOM 606 CB VAL A 36 -15.582 0.289 0.074 1.00 0.00 C ATOM 607 CG1 VAL A 36 -17.004 -0.193 0.315 1.00 0.00 C ATOM 608 CG2 VAL A 36 -14.578 -0.552 0.841 1.00 0.00 C ATOM 0 H VAL A 36 -13.353 0.922 -0.768 1.00 0.00 H new ATOM 0 HA VAL A 36 -15.420 -0.746 -1.795 1.00 0.00 H new ATOM 0 HB VAL A 36 -15.533 1.318 0.430 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -17.224 -0.159 1.382 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -17.702 0.451 -0.220 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -17.107 -1.217 -0.044 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -14.824 -0.534 1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -14.611 -1.579 0.478 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -13.577 -0.147 0.694 1.00 0.00 H new ATOM 618 N LEU A 37 -15.612 2.484 -2.261 1.00 0.00 N ATOM 619 CA LEU A 37 -16.249 3.514 -3.079 1.00 0.00 C ATOM 620 C LEU A 37 -16.028 3.236 -4.557 1.00 0.00 C ATOM 621 O LEU A 37 -16.836 3.624 -5.393 1.00 0.00 O ATOM 622 CB LEU A 37 -15.704 4.899 -2.730 1.00 0.00 C ATOM 623 CG LEU A 37 -16.530 5.695 -1.716 1.00 0.00 C ATOM 624 CD1 LEU A 37 -17.732 6.341 -2.389 1.00 0.00 C ATOM 625 CD2 LEU A 37 -16.982 4.790 -0.581 1.00 0.00 C ATOM 0 H LEU A 37 -14.784 2.801 -1.757 1.00 0.00 H new ATOM 0 HA LEU A 37 -17.318 3.493 -2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -14.693 4.785 -2.339 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -15.627 5.482 -3.648 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.902 6.486 -1.306 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -18.305 6.902 -1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -17.390 7.017 -3.173 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -18.363 5.568 -2.827 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -17.568 5.368 0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -17.593 3.981 -0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -16.109 4.371 -0.080 1.00 0.00 H new ATOM 637 N ARG A 38 -14.921 2.581 -4.868 1.00 0.00 N ATOM 638 CA ARG A 38 -14.645 2.158 -6.236 1.00 0.00 C ATOM 639 C ARG A 38 -15.716 1.182 -6.690 1.00 0.00 C ATOM 640 O ARG A 38 -16.166 1.231 -7.827 1.00 0.00 O ATOM 641 CB ARG A 38 -13.257 1.518 -6.363 1.00 0.00 C ATOM 642 CG ARG A 38 -12.110 2.499 -6.183 1.00 0.00 C ATOM 643 CD ARG A 38 -10.754 1.830 -6.360 1.00 0.00 C ATOM 644 NE ARG A 38 -10.577 1.286 -7.705 1.00 0.00 N ATOM 645 CZ ARG A 38 -9.391 1.059 -8.271 1.00 0.00 C ATOM 646 NH1 ARG A 38 -8.268 1.363 -7.628 1.00 0.00 N ATOM 647 NH2 ARG A 38 -9.335 0.542 -9.492 1.00 0.00 N ATOM 0 H ARG A 38 -14.198 2.330 -4.194 1.00 0.00 H new ATOM 0 HA ARG A 38 -14.657 3.041 -6.874 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -13.164 0.725 -5.621 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -13.172 1.050 -7.343 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -12.211 3.311 -6.904 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -12.167 2.945 -5.190 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.965 2.553 -6.156 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.648 1.028 -5.629 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.414 1.066 -8.245 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.310 1.773 -6.695 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.365 1.186 -8.068 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.196 0.321 -9.992 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.431 0.366 -9.930 1.00 0.00 H new ATOM 661 N GLN A 39 -16.136 0.312 -5.777 1.00 0.00 N ATOM 662 CA GLN A 39 -17.213 -0.632 -6.047 1.00 0.00 C ATOM 663 C GLN A 39 -18.518 0.106 -6.319 1.00 0.00 C ATOM 664 O GLN A 39 -19.327 -0.326 -7.138 1.00 0.00 O ATOM 665 CB GLN A 39 -17.384 -1.572 -4.864 1.00 0.00 C ATOM 666 CG GLN A 39 -16.086 -2.221 -4.429 1.00 0.00 C ATOM 667 CD GLN A 39 -15.472 -3.082 -5.509 1.00 0.00 C ATOM 668 OE1 GLN A 39 -15.778 -4.266 -5.626 1.00 0.00 O ATOM 669 NE2 GLN A 39 -14.588 -2.497 -6.293 1.00 0.00 N ATOM 0 H GLN A 39 -15.743 0.242 -4.838 1.00 0.00 H new ATOM 0 HA GLN A 39 -16.954 -1.212 -6.933 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -17.805 -1.018 -4.025 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -18.102 -2.349 -5.126 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -15.376 -1.446 -4.141 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -16.268 -2.831 -3.544 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -14.363 -1.511 -6.161 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.129 -3.031 -7.031 1.00 0.00 H new ATOM 678 N ARG A 40 -18.717 1.216 -5.615 1.00 0.00 N ATOM 679 CA ARG A 40 -19.839 2.108 -5.881 1.00 0.00 C ATOM 680 C ARG A 40 -19.756 2.643 -7.300 1.00 0.00 C ATOM 681 O ARG A 40 -20.751 2.694 -8.020 1.00 0.00 O ATOM 682 CB ARG A 40 -19.844 3.282 -4.900 1.00 0.00 C ATOM 683 CG ARG A 40 -20.645 3.060 -3.625 1.00 0.00 C ATOM 684 CD ARG A 40 -20.155 1.864 -2.829 1.00 0.00 C ATOM 685 NE ARG A 40 -20.691 0.601 -3.342 1.00 0.00 N ATOM 686 CZ ARG A 40 -20.385 -0.598 -2.854 1.00 0.00 C ATOM 687 NH1 ARG A 40 -19.527 -0.717 -1.848 1.00 0.00 N ATOM 688 NH2 ARG A 40 -20.940 -1.680 -3.379 1.00 0.00 N ATOM 0 H ARG A 40 -18.112 1.520 -4.852 1.00 0.00 H new ATOM 0 HA ARG A 40 -20.760 1.538 -5.757 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -18.814 3.511 -4.627 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -20.241 4.159 -5.411 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -20.587 3.954 -3.004 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -21.695 2.917 -3.880 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -19.066 1.833 -2.857 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -20.444 1.982 -1.785 1.00 0.00 H new ATOM 0 HE ARG A 40 -21.342 0.644 -4.126 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -19.097 0.115 -1.443 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -19.298 -1.640 -1.480 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -21.598 -1.591 -4.153 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -20.709 -2.602 -3.009 1.00 0.00 H new ATOM 702 N LEU A 41 -18.553 3.034 -7.700 1.00 0.00 N ATOM 703 CA LEU A 41 -18.336 3.571 -9.034 1.00 0.00 C ATOM 704 C LEU A 41 -18.496 2.465 -10.068 1.00 0.00 C ATOM 705 O LEU A 41 -18.878 2.721 -11.202 1.00 0.00 O ATOM 706 CB LEU A 41 -16.950 4.200 -9.157 1.00 0.00 C ATOM 707 CG LEU A 41 -16.490 5.052 -7.970 1.00 0.00 C ATOM 708 CD1 LEU A 41 -15.124 5.648 -8.253 1.00 0.00 C ATOM 709 CD2 LEU A 41 -17.491 6.153 -7.649 1.00 0.00 C ATOM 0 H LEU A 41 -17.715 2.989 -7.120 1.00 0.00 H new ATOM 0 HA LEU A 41 -19.079 4.348 -9.213 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.223 3.402 -9.309 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -16.933 4.821 -10.052 1.00 0.00 H new ATOM 0 HG LEU A 41 -16.423 4.401 -7.098 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -14.807 6.252 -7.403 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -14.404 4.846 -8.417 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -15.178 6.275 -9.143 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -17.131 6.736 -6.802 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -17.606 6.804 -8.515 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -18.454 5.708 -7.400 1.00 0.00 H new ATOM 721 N VAL A 42 -18.188 1.236 -9.664 1.00 0.00 N ATOM 722 CA VAL A 42 -18.443 0.059 -10.487 1.00 0.00 C ATOM 723 C VAL A 42 -19.926 -0.027 -10.823 1.00 0.00 C ATOM 724 O VAL A 42 -20.305 -0.240 -11.976 1.00 0.00 O ATOM 725 CB VAL A 42 -18.001 -1.236 -9.763 1.00 0.00 C ATOM 726 CG1 VAL A 42 -18.463 -2.476 -10.513 1.00 0.00 C ATOM 727 CG2 VAL A 42 -16.491 -1.265 -9.579 1.00 0.00 C ATOM 0 H VAL A 42 -17.757 1.029 -8.763 1.00 0.00 H new ATOM 0 HA VAL A 42 -17.862 0.156 -11.404 1.00 0.00 H new ATOM 0 HB VAL A 42 -18.473 -1.239 -8.780 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -18.136 -3.368 -9.978 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -19.551 -2.474 -10.584 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -18.034 -2.476 -11.515 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -16.204 -2.184 -9.068 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -16.005 -1.225 -10.554 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -16.181 -0.407 -8.983 1.00 0.00 H new ATOM 737 N GLU A 43 -20.755 0.164 -9.807 1.00 0.00 N ATOM 738 CA GLU A 43 -22.200 0.160 -9.977 1.00 0.00 C ATOM 739 C GLU A 43 -22.632 1.324 -10.862 1.00 0.00 C ATOM 740 O GLU A 43 -23.459 1.165 -11.761 1.00 0.00 O ATOM 741 CB GLU A 43 -22.881 0.250 -8.612 1.00 0.00 C ATOM 742 CG GLU A 43 -22.460 -0.854 -7.656 1.00 0.00 C ATOM 743 CD GLU A 43 -23.046 -0.682 -6.270 1.00 0.00 C ATOM 744 OE1 GLU A 43 -22.360 -0.122 -5.386 1.00 0.00 O ATOM 745 OE2 GLU A 43 -24.194 -1.117 -6.052 1.00 0.00 O ATOM 0 H GLU A 43 -20.447 0.325 -8.848 1.00 0.00 H new ATOM 0 HA GLU A 43 -22.498 -0.770 -10.461 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -22.653 1.217 -8.163 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -23.962 0.210 -8.749 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -22.771 -1.817 -8.060 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -21.372 -0.873 -7.586 1.00 0.00 H new ATOM 752 N ARG A 44 -22.050 2.491 -10.605 1.00 0.00 N ATOM 753 CA ARG A 44 -22.338 3.696 -11.379 1.00 0.00 C ATOM 754 C ARG A 44 -21.849 3.564 -12.816 1.00 0.00 C ATOM 755 O ARG A 44 -22.402 4.169 -13.735 1.00 0.00 O ATOM 756 CB ARG A 44 -21.684 4.915 -10.727 1.00 0.00 C ATOM 757 CG ARG A 44 -22.220 5.212 -9.340 1.00 0.00 C ATOM 758 CD ARG A 44 -21.482 6.368 -8.685 1.00 0.00 C ATOM 759 NE ARG A 44 -21.545 7.597 -9.479 1.00 0.00 N ATOM 760 CZ ARG A 44 -21.369 8.816 -8.970 1.00 0.00 C ATOM 761 NH1 ARG A 44 -21.113 8.965 -7.675 1.00 0.00 N ATOM 762 NH2 ARG A 44 -21.443 9.885 -9.753 1.00 0.00 N ATOM 0 H ARG A 44 -21.369 2.629 -9.859 1.00 0.00 H new ATOM 0 HA ARG A 44 -23.420 3.827 -11.394 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -20.608 4.752 -10.666 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -21.839 5.786 -11.363 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -23.282 5.448 -9.404 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -22.128 4.322 -8.717 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -21.908 6.554 -7.699 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -20.439 6.090 -8.534 1.00 0.00 H new ATOM 0 HE ARG A 44 -21.734 7.515 -10.478 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -21.051 8.146 -7.070 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -20.978 9.898 -7.286 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -21.635 9.776 -10.749 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -21.308 10.816 -9.359 1.00 0.00 H new ATOM 776 N GLY A 45 -20.814 2.759 -12.992 1.00 0.00 N ATOM 777 CA GLY A 45 -20.231 2.557 -14.300 1.00 0.00 C ATOM 778 C GLY A 45 -19.228 3.637 -14.640 1.00 0.00 C ATOM 779 O GLY A 45 -19.172 4.105 -15.774 1.00 0.00 O ATOM 0 H GLY A 45 -20.363 2.236 -12.242 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -19.742 1.583 -14.334 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -21.020 2.544 -15.052 1.00 0.00 H new ATOM 783 N ASP A 46 -18.419 4.016 -13.655 1.00 0.00 N ATOM 784 CA ASP A 46 -17.460 5.112 -13.811 1.00 0.00 C ATOM 785 C ASP A 46 -16.374 4.758 -14.826 1.00 0.00 C ATOM 786 O ASP A 46 -15.649 5.631 -15.309 1.00 0.00 O ATOM 787 CB ASP A 46 -16.832 5.465 -12.460 1.00 0.00 C ATOM 788 CG ASP A 46 -15.923 6.678 -12.531 1.00 0.00 C ATOM 789 OD1 ASP A 46 -14.687 6.508 -12.503 1.00 0.00 O ATOM 790 OD2 ASP A 46 -16.441 7.812 -12.621 1.00 0.00 O ATOM 0 H ASP A 46 -18.407 3.579 -12.734 1.00 0.00 H new ATOM 0 HA ASP A 46 -18.000 5.981 -14.187 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -17.624 5.652 -11.735 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.262 4.611 -12.096 1.00 0.00 H new ATOM 795 N ALA A 47 -16.276 3.471 -15.151 1.00 0.00 N ATOM 796 CA ALA A 47 -15.368 2.998 -16.193 1.00 0.00 C ATOM 797 C ALA A 47 -15.669 3.685 -17.522 1.00 0.00 C ATOM 798 O ALA A 47 -14.800 3.814 -18.384 1.00 0.00 O ATOM 799 CB ALA A 47 -15.472 1.489 -16.337 1.00 0.00 C ATOM 0 H ALA A 47 -16.819 2.732 -14.704 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.348 3.250 -15.903 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.790 1.150 -17.117 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -15.207 1.014 -15.392 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -16.493 1.219 -16.605 1.00 0.00 H new ATOM 805 N LYS A 48 -16.915 4.110 -17.686 1.00 0.00 N ATOM 806 CA LYS A 48 -17.309 4.926 -18.823 1.00 0.00 C ATOM 807 C LYS A 48 -17.788 6.283 -18.333 1.00 0.00 C ATOM 808 O LYS A 48 -17.318 7.325 -18.790 1.00 0.00 O ATOM 809 CB LYS A 48 -18.420 4.241 -19.624 1.00 0.00 C ATOM 810 CG LYS A 48 -17.975 2.996 -20.378 1.00 0.00 C ATOM 811 CD LYS A 48 -17.571 3.308 -21.815 1.00 0.00 C ATOM 812 CE LYS A 48 -16.363 4.223 -21.891 1.00 0.00 C ATOM 813 NZ LYS A 48 -15.926 4.456 -23.293 1.00 0.00 N ATOM 0 H LYS A 48 -17.675 3.900 -17.039 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.445 5.056 -19.475 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -19.227 3.970 -18.944 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -18.831 4.956 -20.337 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -17.134 2.539 -19.857 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -18.784 2.266 -20.380 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -17.352 2.377 -22.338 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -18.410 3.774 -22.332 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -16.602 5.178 -21.423 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -15.541 3.786 -21.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -15.099 5.086 -23.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -15.673 3.548 -23.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -16.700 4.897 -23.829 1.00 0.00 H new ATOM 827 N GLY A 49 -18.700 6.251 -17.374 1.00 0.00 N ATOM 828 CA GLY A 49 -19.260 7.462 -16.816 1.00 0.00 C ATOM 829 C GLY A 49 -20.447 7.152 -15.930 1.00 0.00 C ATOM 830 O GLY A 49 -20.290 6.925 -14.728 1.00 0.00 O ATOM 0 H GLY A 49 -19.067 5.391 -16.967 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -18.498 7.987 -16.239 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -19.567 8.130 -17.621 1.00 0.00 H new ATOM 834 N THR A 50 -21.631 7.136 -16.522 1.00 0.00 N ATOM 835 CA THR A 50 -22.852 6.769 -15.819 1.00 0.00 C ATOM 836 C THR A 50 -23.917 6.339 -16.827 1.00 0.00 C ATOM 837 O THR A 50 -24.580 7.182 -17.439 1.00 0.00 O ATOM 838 CB THR A 50 -23.406 7.935 -14.967 1.00 0.00 C ATOM 839 OG1 THR A 50 -22.404 8.407 -14.055 1.00 0.00 O ATOM 840 CG2 THR A 50 -24.632 7.496 -14.180 1.00 0.00 C ATOM 0 H THR A 50 -21.773 7.377 -17.503 1.00 0.00 H new ATOM 0 HA THR A 50 -22.606 5.946 -15.147 1.00 0.00 H new ATOM 0 HB THR A 50 -23.689 8.739 -15.646 1.00 0.00 H new ATOM 0 HG1 THR A 50 -21.690 7.740 -13.979 1.00 0.00 H new ATOM 0 HG21 THR A 50 -25.004 8.333 -13.589 1.00 0.00 H new ATOM 0 HG22 THR A 50 -25.409 7.166 -14.870 1.00 0.00 H new ATOM 0 HG23 THR A 50 -24.363 6.674 -13.517 1.00 0.00 H new ATOM 848 N GLU A 51 -24.059 5.035 -17.022 1.00 0.00 N ATOM 849 CA GLU A 51 -25.046 4.513 -17.958 1.00 0.00 C ATOM 850 C GLU A 51 -26.447 4.678 -17.391 1.00 0.00 C ATOM 851 O GLU A 51 -26.846 3.960 -16.475 1.00 0.00 O ATOM 852 CB GLU A 51 -24.797 3.033 -18.287 1.00 0.00 C ATOM 853 CG GLU A 51 -23.526 2.754 -19.073 1.00 0.00 C ATOM 854 CD GLU A 51 -22.262 3.030 -18.287 1.00 0.00 C ATOM 855 OE1 GLU A 51 -21.596 4.047 -18.569 1.00 0.00 O ATOM 856 OE2 GLU A 51 -21.933 2.228 -17.385 1.00 0.00 O ATOM 0 H GLU A 51 -23.506 4.322 -16.547 1.00 0.00 H new ATOM 0 HA GLU A 51 -24.952 5.085 -18.881 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -24.760 2.470 -17.354 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -25.647 2.654 -18.854 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -23.526 1.712 -19.393 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -23.524 3.364 -19.976 1.00 0.00 H new ATOM 863 N LEU A 52 -27.192 5.628 -17.934 1.00 0.00 N ATOM 864 CA LEU A 52 -28.548 5.883 -17.474 1.00 0.00 C ATOM 865 C LEU A 52 -29.507 4.873 -18.077 1.00 0.00 C ATOM 866 O LEU A 52 -30.555 4.567 -17.512 1.00 0.00 O ATOM 867 CB LEU A 52 -28.976 7.307 -17.828 1.00 0.00 C ATOM 868 CG LEU A 52 -28.069 8.415 -17.283 1.00 0.00 C ATOM 869 CD1 LEU A 52 -28.625 9.784 -17.639 1.00 0.00 C ATOM 870 CD2 LEU A 52 -27.903 8.282 -15.779 1.00 0.00 C ATOM 0 H LEU A 52 -26.881 6.235 -18.693 1.00 0.00 H new ATOM 0 HA LEU A 52 -28.571 5.779 -16.389 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -29.020 7.397 -18.913 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -29.987 7.469 -17.453 1.00 0.00 H new ATOM 0 HG LEU A 52 -27.088 8.311 -17.746 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -27.967 10.558 -17.243 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -28.688 9.880 -18.723 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -29.619 9.897 -17.206 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -27.255 9.079 -15.413 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -28.878 8.357 -15.297 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -27.456 7.315 -15.546 1.00 0.00 H new ATOM 882 N ASN A 53 -29.129 4.350 -19.226 1.00 0.00 N ATOM 883 CA ASN A 53 -29.907 3.312 -19.889 1.00 0.00 C ATOM 884 C ASN A 53 -29.419 1.942 -19.451 1.00 0.00 C ATOM 885 O ASN A 53 -30.171 0.969 -19.487 1.00 0.00 O ATOM 886 CB ASN A 53 -29.813 3.437 -21.414 1.00 0.00 C ATOM 887 CG ASN A 53 -30.500 4.680 -21.957 1.00 0.00 C ATOM 888 OD1 ASN A 53 -31.573 5.107 -21.310 1.00 0.00 O flip ATOM 889 ND2 ASN A 53 -30.074 5.243 -22.965 1.00 0.00 N flip ATOM 0 H ASN A 53 -28.284 4.626 -19.726 1.00 0.00 H new ATOM 0 HA ASN A 53 -30.951 3.435 -19.603 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -28.763 3.453 -21.707 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -30.258 2.554 -21.873 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -29.244 4.885 -23.437 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -30.551 6.068 -23.329 1.00 0.00 H new TER 896 ASN A 53 ATOM 897 N GLY B 84 -0.461 -8.187 -7.854 1.00 0.00 N ATOM 898 CA GLY B 84 0.909 -8.360 -8.283 1.00 0.00 C ATOM 899 C GLY B 84 1.805 -8.756 -7.130 1.00 0.00 C ATOM 900 O GLY B 84 1.650 -8.235 -6.021 1.00 0.00 O ATOM 0 HA2 GLY B 84 0.955 -9.124 -9.060 1.00 0.00 H new ATOM 0 HA3 GLY B 84 1.273 -7.433 -8.726 1.00 0.00 H new ATOM 904 N PRO B 85 2.751 -9.679 -7.353 1.00 0.00 N ATOM 905 CA PRO B 85 3.628 -10.173 -6.301 1.00 0.00 C ATOM 906 C PRO B 85 4.843 -9.278 -6.077 1.00 0.00 C ATOM 907 O PRO B 85 4.943 -8.191 -6.656 1.00 0.00 O ATOM 908 CB PRO B 85 4.054 -11.535 -6.838 1.00 0.00 C ATOM 909 CG PRO B 85 4.125 -11.334 -8.310 1.00 0.00 C ATOM 910 CD PRO B 85 3.047 -10.327 -8.649 1.00 0.00 C ATOM 0 HA PRO B 85 3.133 -10.207 -5.331 1.00 0.00 H new ATOM 0 HB2 PRO B 85 5.017 -11.842 -6.430 1.00 0.00 H new ATOM 0 HB3 PRO B 85 3.335 -12.311 -6.575 1.00 0.00 H new ATOM 0 HG2 PRO B 85 5.108 -10.967 -8.606 1.00 0.00 H new ATOM 0 HG3 PRO B 85 3.962 -12.273 -8.840 1.00 0.00 H new ATOM 0 HD2 PRO B 85 3.393 -9.604 -9.388 1.00 0.00 H new ATOM 0 HD3 PRO B 85 2.164 -10.811 -9.065 1.00 0.00 H new ATOM 918 N LEU B 86 5.749 -9.755 -5.230 1.00 0.00 N ATOM 919 CA LEU B 86 6.980 -9.044 -4.879 1.00 0.00 C ATOM 920 C LEU B 86 7.721 -8.479 -6.097 1.00 0.00 C ATOM 921 O LEU B 86 8.376 -9.205 -6.844 1.00 0.00 O ATOM 922 CB LEU B 86 7.909 -9.972 -4.079 1.00 0.00 C ATOM 923 CG LEU B 86 7.687 -11.486 -4.267 1.00 0.00 C ATOM 924 CD1 LEU B 86 7.973 -11.931 -5.697 1.00 0.00 C ATOM 925 CD2 LEU B 86 8.551 -12.266 -3.289 1.00 0.00 C ATOM 0 H LEU B 86 5.651 -10.656 -4.761 1.00 0.00 H new ATOM 0 HA LEU B 86 6.687 -8.189 -4.270 1.00 0.00 H new ATOM 0 HB2 LEU B 86 8.939 -9.741 -4.349 1.00 0.00 H new ATOM 0 HB3 LEU B 86 7.797 -9.738 -3.020 1.00 0.00 H new ATOM 0 HG LEU B 86 6.636 -11.693 -4.065 1.00 0.00 H new ATOM 0 HD11 LEU B 86 7.804 -13.004 -5.785 1.00 0.00 H new ATOM 0 HD12 LEU B 86 7.310 -11.402 -6.382 1.00 0.00 H new ATOM 0 HD13 LEU B 86 9.009 -11.705 -5.948 1.00 0.00 H new ATOM 0 HD21 LEU B 86 8.387 -13.334 -3.430 1.00 0.00 H new ATOM 0 HD22 LEU B 86 9.601 -12.034 -3.466 1.00 0.00 H new ATOM 0 HD23 LEU B 86 8.286 -11.990 -2.269 1.00 0.00 H new ATOM 937 N GLY B 87 7.603 -7.173 -6.290 1.00 0.00 N ATOM 938 CA GLY B 87 8.332 -6.506 -7.350 1.00 0.00 C ATOM 939 C GLY B 87 9.409 -5.592 -6.804 1.00 0.00 C ATOM 940 O GLY B 87 10.193 -5.014 -7.558 1.00 0.00 O ATOM 0 H GLY B 87 7.012 -6.560 -5.728 1.00 0.00 H new ATOM 0 HA2 GLY B 87 8.785 -7.251 -8.004 1.00 0.00 H new ATOM 0 HA3 GLY B 87 7.638 -5.927 -7.959 1.00 0.00 H new ATOM 944 N SER B 88 9.445 -5.469 -5.484 1.00 0.00 N ATOM 945 CA SER B 88 10.378 -4.576 -4.816 1.00 0.00 C ATOM 946 C SER B 88 11.785 -5.173 -4.751 1.00 0.00 C ATOM 947 O SER B 88 12.754 -4.466 -4.461 1.00 0.00 O ATOM 948 CB SER B 88 9.866 -4.264 -3.405 1.00 0.00 C ATOM 949 OG SER B 88 10.730 -3.373 -2.715 1.00 0.00 O ATOM 0 H SER B 88 8.832 -5.982 -4.851 1.00 0.00 H new ATOM 0 HA SER B 88 10.442 -3.655 -5.395 1.00 0.00 H new ATOM 0 HB2 SER B 88 8.869 -3.827 -3.468 1.00 0.00 H new ATOM 0 HB3 SER B 88 9.773 -5.191 -2.839 1.00 0.00 H new ATOM 0 HG SER B 88 10.683 -3.552 -1.753 1.00 0.00 H new ATOM 955 N ARG B 89 11.905 -6.467 -5.017 1.00 0.00 N ATOM 956 CA ARG B 89 13.200 -7.128 -4.932 1.00 0.00 C ATOM 957 C ARG B 89 13.855 -7.222 -6.305 1.00 0.00 C ATOM 958 O ARG B 89 14.819 -6.512 -6.578 1.00 0.00 O ATOM 959 CB ARG B 89 13.050 -8.514 -4.301 1.00 0.00 C ATOM 960 CG ARG B 89 14.372 -9.218 -4.040 1.00 0.00 C ATOM 961 CD ARG B 89 14.174 -10.494 -3.236 1.00 0.00 C ATOM 962 NE ARG B 89 13.314 -11.455 -3.925 1.00 0.00 N ATOM 963 CZ ARG B 89 12.481 -12.291 -3.305 1.00 0.00 C ATOM 964 NH1 ARG B 89 12.382 -12.280 -1.981 1.00 0.00 N ATOM 965 NH2 ARG B 89 11.752 -13.144 -4.011 1.00 0.00 N ATOM 0 H ARG B 89 11.132 -7.073 -5.290 1.00 0.00 H new ATOM 0 HA ARG B 89 13.850 -6.529 -4.294 1.00 0.00 H new ATOM 0 HB2 ARG B 89 12.509 -8.417 -3.360 1.00 0.00 H new ATOM 0 HB3 ARG B 89 12.441 -9.137 -4.956 1.00 0.00 H new ATOM 0 HG2 ARG B 89 14.853 -9.455 -4.989 1.00 0.00 H new ATOM 0 HG3 ARG B 89 15.042 -8.548 -3.502 1.00 0.00 H new ATOM 0 HD2 ARG B 89 15.144 -10.952 -3.041 1.00 0.00 H new ATOM 0 HD3 ARG B 89 13.737 -10.247 -2.268 1.00 0.00 H new ATOM 0 HE ARG B 89 13.354 -11.488 -4.944 1.00 0.00 H new ATOM 0 HH11 ARG B 89 12.945 -11.630 -1.433 1.00 0.00 H new ATOM 0 HH12 ARG B 89 11.743 -12.922 -1.512 1.00 0.00 H new ATOM 0 HH21 ARG B 89 11.829 -13.160 -5.028 1.00 0.00 H new ATOM 0 HH22 ARG B 89 11.114 -13.784 -3.537 1.00 0.00 H new ATOM 979 N ARG B 90 13.311 -8.075 -7.169 1.00 0.00 N ATOM 980 CA ARG B 90 13.847 -8.262 -8.517 1.00 0.00 C ATOM 981 C ARG B 90 15.336 -8.621 -8.489 1.00 0.00 C ATOM 982 O ARG B 90 16.147 -8.020 -9.198 1.00 0.00 O ATOM 983 CB ARG B 90 13.609 -7.012 -9.369 1.00 0.00 C ATOM 984 CG ARG B 90 12.180 -6.885 -9.871 1.00 0.00 C ATOM 985 CD ARG B 90 11.968 -5.589 -10.637 1.00 0.00 C ATOM 986 NE ARG B 90 11.786 -4.442 -9.744 1.00 0.00 N ATOM 987 CZ ARG B 90 12.282 -3.223 -9.972 1.00 0.00 C ATOM 988 NH1 ARG B 90 13.075 -3.004 -11.016 1.00 0.00 N ATOM 989 NH2 ARG B 90 11.993 -2.225 -9.145 1.00 0.00 N ATOM 0 H ARG B 90 12.496 -8.651 -6.959 1.00 0.00 H new ATOM 0 HA ARG B 90 13.316 -9.099 -8.970 1.00 0.00 H new ATOM 0 HB2 ARG B 90 13.860 -6.128 -8.782 1.00 0.00 H new ATOM 0 HB3 ARG B 90 14.286 -7.030 -10.223 1.00 0.00 H new ATOM 0 HG2 ARG B 90 11.944 -7.732 -10.515 1.00 0.00 H new ATOM 0 HG3 ARG B 90 11.492 -6.926 -9.026 1.00 0.00 H new ATOM 0 HD2 ARG B 90 12.824 -5.409 -11.287 1.00 0.00 H new ATOM 0 HD3 ARG B 90 11.094 -5.688 -11.281 1.00 0.00 H new ATOM 0 HE ARG B 90 11.244 -4.584 -8.891 1.00 0.00 H new ATOM 0 HH11 ARG B 90 13.308 -3.769 -11.649 1.00 0.00 H new ATOM 0 HH12 ARG B 90 13.450 -2.071 -11.184 1.00 0.00 H new ATOM 0 HH21 ARG B 90 11.393 -2.390 -8.337 1.00 0.00 H new ATOM 0 HH22 ARG B 90 12.371 -1.294 -9.318 1.00 0.00 H new ATOM 1003 N PHE B 91 15.671 -9.615 -7.666 1.00 0.00 N ATOM 1004 CA PHE B 91 17.040 -10.124 -7.541 1.00 0.00 C ATOM 1005 C PHE B 91 17.983 -9.085 -6.933 1.00 0.00 C ATOM 1006 O PHE B 91 17.588 -7.947 -6.683 1.00 0.00 O ATOM 1007 CB PHE B 91 17.582 -10.599 -8.894 1.00 0.00 C ATOM 1008 CG PHE B 91 16.842 -11.775 -9.465 1.00 0.00 C ATOM 1009 CD1 PHE B 91 15.739 -11.591 -10.283 1.00 0.00 C ATOM 1010 CD2 PHE B 91 17.251 -13.067 -9.181 1.00 0.00 C ATOM 1011 CE1 PHE B 91 15.059 -12.672 -10.808 1.00 0.00 C ATOM 1012 CE2 PHE B 91 16.575 -14.152 -9.704 1.00 0.00 C ATOM 1013 CZ PHE B 91 15.477 -13.955 -10.518 1.00 0.00 C ATOM 0 H PHE B 91 14.999 -10.092 -7.065 1.00 0.00 H new ATOM 0 HA PHE B 91 16.997 -10.976 -6.863 1.00 0.00 H new ATOM 0 HB2 PHE B 91 17.535 -9.773 -9.604 1.00 0.00 H new ATOM 0 HB3 PHE B 91 18.633 -10.863 -8.781 1.00 0.00 H new ATOM 0 HD1 PHE B 91 15.407 -10.589 -10.513 1.00 0.00 H new ATOM 0 HD2 PHE B 91 18.108 -13.228 -8.544 1.00 0.00 H new ATOM 0 HE1 PHE B 91 14.201 -12.514 -11.445 1.00 0.00 H new ATOM 0 HE2 PHE B 91 16.905 -15.155 -9.476 1.00 0.00 H new ATOM 0 HZ PHE B 91 14.947 -14.803 -10.927 1.00 0.00 H new ATOM 1023 N VAL B 92 19.228 -9.477 -6.699 1.00 0.00 N ATOM 1024 CA VAL B 92 20.199 -8.592 -6.065 1.00 0.00 C ATOM 1025 C VAL B 92 20.472 -7.355 -6.923 1.00 0.00 C ATOM 1026 O VAL B 92 20.613 -6.248 -6.399 1.00 0.00 O ATOM 1027 CB VAL B 92 21.526 -9.332 -5.757 1.00 0.00 C ATOM 1028 CG1 VAL B 92 22.163 -9.886 -7.025 1.00 0.00 C ATOM 1029 CG2 VAL B 92 22.498 -8.422 -5.018 1.00 0.00 C ATOM 0 H VAL B 92 19.590 -10.400 -6.938 1.00 0.00 H new ATOM 0 HA VAL B 92 19.762 -8.266 -5.121 1.00 0.00 H new ATOM 0 HB VAL B 92 21.288 -10.176 -5.109 1.00 0.00 H new ATOM 0 HG11 VAL B 92 23.091 -10.398 -6.772 1.00 0.00 H new ATOM 0 HG12 VAL B 92 21.478 -10.589 -7.499 1.00 0.00 H new ATOM 0 HG13 VAL B 92 22.376 -9.068 -7.713 1.00 0.00 H new ATOM 0 HG21 VAL B 92 23.421 -8.965 -4.814 1.00 0.00 H new ATOM 0 HG22 VAL B 92 22.719 -7.549 -5.633 1.00 0.00 H new ATOM 0 HG23 VAL B 92 22.051 -8.099 -4.078 1.00 0.00 H new ATOM 1039 N VAL B 93 20.503 -7.544 -8.240 1.00 0.00 N ATOM 1040 CA VAL B 93 20.832 -6.466 -9.167 1.00 0.00 C ATOM 1041 C VAL B 93 19.942 -5.237 -8.953 1.00 0.00 C ATOM 1042 O VAL B 93 20.442 -4.114 -8.805 1.00 0.00 O ATOM 1043 CB VAL B 93 20.749 -6.944 -10.641 1.00 0.00 C ATOM 1044 CG1 VAL B 93 19.399 -7.578 -10.947 1.00 0.00 C ATOM 1045 CG2 VAL B 93 21.028 -5.795 -11.598 1.00 0.00 C ATOM 0 H VAL B 93 20.303 -8.437 -8.690 1.00 0.00 H new ATOM 0 HA VAL B 93 21.861 -6.173 -8.958 1.00 0.00 H new ATOM 0 HB VAL B 93 21.515 -7.707 -10.782 1.00 0.00 H new ATOM 0 HG11 VAL B 93 19.376 -7.901 -11.988 1.00 0.00 H new ATOM 0 HG12 VAL B 93 19.245 -8.439 -10.296 1.00 0.00 H new ATOM 0 HG13 VAL B 93 18.607 -6.848 -10.776 1.00 0.00 H new ATOM 0 HG21 VAL B 93 20.964 -6.154 -12.625 1.00 0.00 H new ATOM 0 HG22 VAL B 93 20.293 -5.006 -11.443 1.00 0.00 H new ATOM 0 HG23 VAL B 93 22.027 -5.401 -11.412 1.00 0.00 H new ATOM 1055 N ASP B 94 18.634 -5.447 -8.895 1.00 0.00 N ATOM 1056 CA ASP B 94 17.716 -4.334 -8.750 1.00 0.00 C ATOM 1057 C ASP B 94 17.480 -4.010 -7.283 1.00 0.00 C ATOM 1058 O ASP B 94 17.330 -2.852 -6.926 1.00 0.00 O ATOM 1059 CB ASP B 94 16.392 -4.595 -9.478 1.00 0.00 C ATOM 1060 CG ASP B 94 16.553 -4.626 -10.988 1.00 0.00 C ATOM 1061 OD1 ASP B 94 16.174 -5.634 -11.619 1.00 0.00 O ATOM 1062 OD2 ASP B 94 17.063 -3.643 -11.560 1.00 0.00 O ATOM 0 H ASP B 94 18.193 -6.365 -8.946 1.00 0.00 H new ATOM 0 HA ASP B 94 18.178 -3.465 -9.218 1.00 0.00 H new ATOM 0 HB2 ASP B 94 15.977 -5.545 -9.141 1.00 0.00 H new ATOM 0 HB3 ASP B 94 15.674 -3.820 -9.208 1.00 0.00 H new ATOM 1067 N ASP B 95 17.485 -5.014 -6.418 1.00 0.00 N ATOM 1068 CA ASP B 95 17.344 -4.763 -4.981 1.00 0.00 C ATOM 1069 C ASP B 95 18.361 -3.730 -4.504 1.00 0.00 C ATOM 1070 O ASP B 95 18.087 -2.938 -3.608 1.00 0.00 O ATOM 1071 CB ASP B 95 17.491 -6.061 -4.181 1.00 0.00 C ATOM 1072 CG ASP B 95 17.845 -5.826 -2.725 1.00 0.00 C ATOM 1073 OD1 ASP B 95 19.029 -6.001 -2.362 1.00 0.00 O ATOM 1074 OD2 ASP B 95 16.945 -5.483 -1.932 1.00 0.00 O ATOM 0 H ASP B 95 17.583 -5.996 -6.675 1.00 0.00 H new ATOM 0 HA ASP B 95 16.344 -4.365 -4.811 1.00 0.00 H new ATOM 0 HB2 ASP B 95 16.558 -6.622 -4.236 1.00 0.00 H new ATOM 0 HB3 ASP B 95 18.262 -6.679 -4.641 1.00 0.00 H new ATOM 1079 N ARG B 96 19.508 -3.687 -5.151 1.00 0.00 N ATOM 1080 CA ARG B 96 20.558 -2.781 -4.725 1.00 0.00 C ATOM 1081 C ARG B 96 20.256 -1.366 -5.196 1.00 0.00 C ATOM 1082 O ARG B 96 19.897 -0.506 -4.396 1.00 0.00 O ATOM 1083 CB ARG B 96 21.931 -3.241 -5.228 1.00 0.00 C ATOM 1084 CG ARG B 96 22.422 -4.544 -4.600 1.00 0.00 C ATOM 1085 CD ARG B 96 22.578 -4.437 -3.086 1.00 0.00 C ATOM 1086 NE ARG B 96 21.290 -4.412 -2.390 1.00 0.00 N ATOM 1087 CZ ARG B 96 21.045 -3.704 -1.287 1.00 0.00 C ATOM 1088 NH1 ARG B 96 22.010 -2.994 -0.710 1.00 0.00 N ATOM 1089 NH2 ARG B 96 19.831 -3.717 -0.756 1.00 0.00 N ATOM 0 H ARG B 96 19.736 -4.260 -5.963 1.00 0.00 H new ATOM 0 HA ARG B 96 20.589 -2.787 -3.635 1.00 0.00 H new ATOM 0 HB2 ARG B 96 21.886 -3.366 -6.310 1.00 0.00 H new ATOM 0 HB3 ARG B 96 22.661 -2.456 -5.028 1.00 0.00 H new ATOM 0 HG2 ARG B 96 21.720 -5.344 -4.835 1.00 0.00 H new ATOM 0 HG3 ARG B 96 23.379 -4.819 -5.043 1.00 0.00 H new ATOM 0 HD2 ARG B 96 23.167 -5.280 -2.724 1.00 0.00 H new ATOM 0 HD3 ARG B 96 23.135 -3.532 -2.844 1.00 0.00 H new ATOM 0 HE ARG B 96 20.530 -4.973 -2.774 1.00 0.00 H new ATOM 0 HH11 ARG B 96 22.948 -2.988 -1.111 1.00 0.00 H new ATOM 0 HH12 ARG B 96 21.812 -2.456 0.134 1.00 0.00 H new ATOM 0 HH21 ARG B 96 19.090 -4.267 -1.191 1.00 0.00 H new ATOM 0 HH22 ARG B 96 19.638 -3.177 0.088 1.00 0.00 H new ATOM 1103 N ARG B 97 20.353 -1.143 -6.498 1.00 0.00 N ATOM 1104 CA ARG B 97 20.153 0.191 -7.058 1.00 0.00 C ATOM 1105 C ARG B 97 18.676 0.574 -7.061 1.00 0.00 C ATOM 1106 O ARG B 97 18.292 1.630 -6.559 1.00 0.00 O ATOM 1107 CB ARG B 97 20.731 0.241 -8.478 1.00 0.00 C ATOM 1108 CG ARG B 97 20.465 1.537 -9.227 1.00 0.00 C ATOM 1109 CD ARG B 97 19.189 1.467 -10.054 1.00 0.00 C ATOM 1110 NE ARG B 97 19.298 0.524 -11.165 1.00 0.00 N ATOM 1111 CZ ARG B 97 18.646 0.660 -12.317 1.00 0.00 C ATOM 1112 NH1 ARG B 97 17.859 1.711 -12.517 1.00 0.00 N ATOM 1113 NH2 ARG B 97 18.779 -0.252 -13.271 1.00 0.00 N ATOM 0 H ARG B 97 20.568 -1.864 -7.187 1.00 0.00 H new ATOM 0 HA ARG B 97 20.675 0.915 -6.432 1.00 0.00 H new ATOM 0 HB2 ARG B 97 21.808 0.084 -8.423 1.00 0.00 H new ATOM 0 HB3 ARG B 97 20.317 -0.587 -9.054 1.00 0.00 H new ATOM 0 HG2 ARG B 97 20.390 2.359 -8.515 1.00 0.00 H new ATOM 0 HG3 ARG B 97 21.309 1.758 -9.881 1.00 0.00 H new ATOM 0 HD2 ARG B 97 18.358 1.174 -9.412 1.00 0.00 H new ATOM 0 HD3 ARG B 97 18.956 2.458 -10.443 1.00 0.00 H new ATOM 0 HE ARG B 97 19.909 -0.285 -11.051 1.00 0.00 H new ATOM 0 HH11 ARG B 97 17.754 2.416 -11.787 1.00 0.00 H new ATOM 0 HH12 ARG B 97 17.360 1.814 -13.401 1.00 0.00 H new ATOM 0 HH21 ARG B 97 19.383 -1.061 -13.123 1.00 0.00 H new ATOM 0 HH22 ARG B 97 18.278 -0.145 -14.153 1.00 0.00 H new ATOM 1127 N GLU B 98 17.862 -0.303 -7.617 1.00 0.00 N ATOM 1128 CA GLU B 98 16.446 -0.041 -7.815 1.00 0.00 C ATOM 1129 C GLU B 98 15.704 0.156 -6.505 1.00 0.00 C ATOM 1130 O GLU B 98 14.946 1.112 -6.367 1.00 0.00 O ATOM 1131 CB GLU B 98 15.821 -1.198 -8.578 1.00 0.00 C ATOM 1132 CG GLU B 98 16.085 -1.164 -10.068 1.00 0.00 C ATOM 1133 CD GLU B 98 15.199 -0.173 -10.788 1.00 0.00 C ATOM 1134 OE1 GLU B 98 15.421 1.047 -10.652 1.00 0.00 O ATOM 1135 OE2 GLU B 98 14.270 -0.614 -11.499 1.00 0.00 O ATOM 0 H GLU B 98 18.163 -1.220 -7.946 1.00 0.00 H new ATOM 0 HA GLU B 98 16.361 0.886 -8.383 1.00 0.00 H new ATOM 0 HB2 GLU B 98 16.202 -2.135 -8.173 1.00 0.00 H new ATOM 0 HB3 GLU B 98 14.744 -1.192 -8.410 1.00 0.00 H new ATOM 0 HG2 GLU B 98 17.130 -0.907 -10.243 1.00 0.00 H new ATOM 0 HG3 GLU B 98 15.927 -2.159 -10.485 1.00 0.00 H new ATOM 1142 N LEU B 99 15.920 -0.738 -5.544 1.00 0.00 N ATOM 1143 CA LEU B 99 15.142 -0.716 -4.319 1.00 0.00 C ATOM 1144 C LEU B 99 15.408 0.566 -3.533 1.00 0.00 C ATOM 1145 O LEU B 99 14.473 1.296 -3.224 1.00 0.00 O ATOM 1146 CB LEU B 99 15.422 -1.990 -3.506 1.00 0.00 C ATOM 1147 CG LEU B 99 14.789 -2.113 -2.111 1.00 0.00 C ATOM 1148 CD1 LEU B 99 15.681 -1.476 -1.061 1.00 0.00 C ATOM 1149 CD2 LEU B 99 13.390 -1.511 -2.076 1.00 0.00 C ATOM 0 H LEU B 99 16.621 -1.478 -5.593 1.00 0.00 H new ATOM 0 HA LEU B 99 14.078 -0.711 -4.557 1.00 0.00 H new ATOM 0 HB2 LEU B 99 15.091 -2.843 -4.099 1.00 0.00 H new ATOM 0 HB3 LEU B 99 16.502 -2.081 -3.391 1.00 0.00 H new ATOM 0 HG LEU B 99 14.693 -3.174 -1.882 1.00 0.00 H new ATOM 0 HD11 LEU B 99 15.215 -1.573 -0.080 1.00 0.00 H new ATOM 0 HD12 LEU B 99 16.649 -1.976 -1.054 1.00 0.00 H new ATOM 0 HD13 LEU B 99 15.820 -0.420 -1.293 1.00 0.00 H new ATOM 0 HD21 LEU B 99 12.974 -1.616 -1.074 1.00 0.00 H new ATOM 0 HD22 LEU B 99 13.442 -0.454 -2.338 1.00 0.00 H new ATOM 0 HD23 LEU B 99 12.752 -2.031 -2.790 1.00 0.00 H new ATOM 1161 N GLN B 100 16.670 0.875 -3.252 1.00 0.00 N ATOM 1162 CA GLN B 100 16.983 2.066 -2.465 1.00 0.00 C ATOM 1163 C GLN B 100 16.508 3.336 -3.176 1.00 0.00 C ATOM 1164 O GLN B 100 15.999 4.264 -2.539 1.00 0.00 O ATOM 1165 CB GLN B 100 18.481 2.160 -2.160 1.00 0.00 C ATOM 1166 CG GLN B 100 19.370 2.233 -3.392 1.00 0.00 C ATOM 1167 CD GLN B 100 20.815 2.540 -3.055 1.00 0.00 C ATOM 1168 OE1 GLN B 100 21.735 2.109 -3.752 1.00 0.00 O ATOM 1169 NE2 GLN B 100 21.024 3.305 -1.994 1.00 0.00 N ATOM 0 H GLN B 100 17.479 0.330 -3.550 1.00 0.00 H new ATOM 0 HA GLN B 100 16.449 1.977 -1.519 1.00 0.00 H new ATOM 0 HB2 GLN B 100 18.660 3.042 -1.545 1.00 0.00 H new ATOM 0 HB3 GLN B 100 18.774 1.294 -1.567 1.00 0.00 H new ATOM 0 HG2 GLN B 100 19.320 1.285 -3.927 1.00 0.00 H new ATOM 0 HG3 GLN B 100 18.988 3.000 -4.066 1.00 0.00 H new ATOM 0 HE21 GLN B 100 20.234 3.641 -1.444 1.00 0.00 H new ATOM 0 HE22 GLN B 100 21.975 3.558 -1.727 1.00 0.00 H new ATOM 1178 N TYR B 101 16.649 3.364 -4.496 1.00 0.00 N ATOM 1179 CA TYR B 101 16.263 4.530 -5.281 1.00 0.00 C ATOM 1180 C TYR B 101 14.749 4.619 -5.405 1.00 0.00 C ATOM 1181 O TYR B 101 14.198 5.706 -5.582 1.00 0.00 O ATOM 1182 CB TYR B 101 16.903 4.470 -6.672 1.00 0.00 C ATOM 1183 CG TYR B 101 16.702 5.724 -7.499 1.00 0.00 C ATOM 1184 CD1 TYR B 101 15.688 5.803 -8.446 1.00 0.00 C ATOM 1185 CD2 TYR B 101 17.530 6.826 -7.332 1.00 0.00 C ATOM 1186 CE1 TYR B 101 15.508 6.945 -9.205 1.00 0.00 C ATOM 1187 CE2 TYR B 101 17.354 7.971 -8.086 1.00 0.00 C ATOM 1188 CZ TYR B 101 16.343 8.026 -9.019 1.00 0.00 C ATOM 1189 OH TYR B 101 16.173 9.164 -9.776 1.00 0.00 O ATOM 0 H TYR B 101 17.028 2.592 -5.045 1.00 0.00 H new ATOM 0 HA TYR B 101 16.620 5.422 -4.766 1.00 0.00 H new ATOM 0 HB2 TYR B 101 17.972 4.288 -6.561 1.00 0.00 H new ATOM 0 HB3 TYR B 101 16.490 3.620 -7.214 1.00 0.00 H new ATOM 0 HD1 TYR B 101 15.030 4.959 -8.592 1.00 0.00 H new ATOM 0 HD2 TYR B 101 18.324 6.788 -6.601 1.00 0.00 H new ATOM 0 HE1 TYR B 101 14.717 6.990 -9.940 1.00 0.00 H new ATOM 0 HE2 TYR B 101 18.007 8.819 -7.944 1.00 0.00 H new ATOM 0 HH TYR B 101 16.843 9.831 -9.519 1.00 0.00 H new ATOM 1199 N ARG B 102 14.071 3.484 -5.310 1.00 0.00 N ATOM 1200 CA ARG B 102 12.624 3.477 -5.430 1.00 0.00 C ATOM 1201 C ARG B 102 11.983 3.939 -4.126 1.00 0.00 C ATOM 1202 O ARG B 102 10.939 4.569 -4.147 1.00 0.00 O ATOM 1203 CB ARG B 102 12.088 2.095 -5.836 1.00 0.00 C ATOM 1204 CG ARG B 102 11.773 1.173 -4.669 1.00 0.00 C ATOM 1205 CD ARG B 102 11.069 -0.091 -5.131 1.00 0.00 C ATOM 1206 NE ARG B 102 10.477 -0.822 -4.013 1.00 0.00 N ATOM 1207 CZ ARG B 102 9.247 -0.598 -3.543 1.00 0.00 C ATOM 1208 NH1 ARG B 102 8.459 0.302 -4.117 1.00 0.00 N ATOM 1209 NH2 ARG B 102 8.796 -1.298 -2.511 1.00 0.00 N ATOM 0 H ARG B 102 14.494 2.569 -5.152 1.00 0.00 H new ATOM 0 HA ARG B 102 12.356 4.174 -6.224 1.00 0.00 H new ATOM 0 HB2 ARG B 102 11.184 2.230 -6.430 1.00 0.00 H new ATOM 0 HB3 ARG B 102 12.822 1.609 -6.479 1.00 0.00 H new ATOM 0 HG2 ARG B 102 12.696 0.909 -4.154 1.00 0.00 H new ATOM 0 HG3 ARG B 102 11.145 1.698 -3.949 1.00 0.00 H new ATOM 0 HD2 ARG B 102 10.291 0.168 -5.849 1.00 0.00 H new ATOM 0 HD3 ARG B 102 11.780 -0.734 -5.650 1.00 0.00 H new ATOM 0 HE ARG B 102 11.037 -1.547 -3.564 1.00 0.00 H new ATOM 0 HH11 ARG B 102 8.791 0.830 -4.924 1.00 0.00 H new ATOM 0 HH12 ARG B 102 7.521 0.466 -3.751 1.00 0.00 H new ATOM 0 HH21 ARG B 102 9.388 -2.006 -2.077 1.00 0.00 H new ATOM 0 HH22 ARG B 102 7.857 -1.128 -2.151 1.00 0.00 H new ATOM 1223 N VAL B 103 12.624 3.656 -2.997 1.00 0.00 N ATOM 1224 CA VAL B 103 12.065 4.024 -1.698 1.00 0.00 C ATOM 1225 C VAL B 103 11.922 5.546 -1.582 1.00 0.00 C ATOM 1226 O VAL B 103 10.920 6.040 -1.070 1.00 0.00 O ATOM 1227 CB VAL B 103 12.923 3.481 -0.533 1.00 0.00 C ATOM 1228 CG1 VAL B 103 12.281 3.744 0.810 1.00 0.00 C ATOM 1229 CG2 VAL B 103 13.176 1.997 -0.684 1.00 0.00 C ATOM 0 H VAL B 103 13.524 3.177 -2.953 1.00 0.00 H new ATOM 0 HA VAL B 103 11.077 3.568 -1.628 1.00 0.00 H new ATOM 0 HB VAL B 103 13.873 4.014 -0.574 1.00 0.00 H new ATOM 0 HG11 VAL B 103 12.917 3.346 1.601 1.00 0.00 H new ATOM 0 HG12 VAL B 103 12.157 4.818 0.950 1.00 0.00 H new ATOM 0 HG13 VAL B 103 11.306 3.258 0.849 1.00 0.00 H new ATOM 0 HG21 VAL B 103 13.782 1.644 0.151 1.00 0.00 H new ATOM 0 HG22 VAL B 103 12.225 1.465 -0.692 1.00 0.00 H new ATOM 0 HG23 VAL B 103 13.704 1.811 -1.620 1.00 0.00 H new ATOM 1239 N GLU B 104 12.917 6.287 -2.072 1.00 0.00 N ATOM 1240 CA GLU B 104 12.843 7.752 -2.066 1.00 0.00 C ATOM 1241 C GLU B 104 11.740 8.278 -2.980 1.00 0.00 C ATOM 1242 O GLU B 104 10.998 9.180 -2.592 1.00 0.00 O ATOM 1243 CB GLU B 104 14.185 8.397 -2.425 1.00 0.00 C ATOM 1244 CG GLU B 104 15.008 7.610 -3.423 1.00 0.00 C ATOM 1245 CD GLU B 104 16.265 8.338 -3.840 1.00 0.00 C ATOM 1246 OE1 GLU B 104 17.286 8.227 -3.130 1.00 0.00 O ATOM 1247 OE2 GLU B 104 16.238 9.029 -4.882 1.00 0.00 O ATOM 0 H GLU B 104 13.773 5.905 -2.473 1.00 0.00 H new ATOM 0 HA GLU B 104 12.594 8.036 -1.044 1.00 0.00 H new ATOM 0 HB2 GLU B 104 14.000 9.392 -2.829 1.00 0.00 H new ATOM 0 HB3 GLU B 104 14.768 8.527 -1.513 1.00 0.00 H new ATOM 0 HG2 GLU B 104 15.277 6.647 -2.988 1.00 0.00 H new ATOM 0 HG3 GLU B 104 14.402 7.403 -4.305 1.00 0.00 H new ATOM 1254 N VAL B 105 11.622 7.731 -4.187 1.00 0.00 N ATOM 1255 CA VAL B 105 10.524 8.129 -5.062 1.00 0.00 C ATOM 1256 C VAL B 105 9.187 7.716 -4.453 1.00 0.00 C ATOM 1257 O VAL B 105 8.238 8.486 -4.478 1.00 0.00 O ATOM 1258 CB VAL B 105 10.670 7.605 -6.521 1.00 0.00 C ATOM 1259 CG1 VAL B 105 11.394 6.280 -6.578 1.00 0.00 C ATOM 1260 CG2 VAL B 105 9.325 7.470 -7.206 1.00 0.00 C ATOM 0 H VAL B 105 12.254 7.030 -4.574 1.00 0.00 H new ATOM 0 HA VAL B 105 10.561 9.216 -5.138 1.00 0.00 H new ATOM 0 HB VAL B 105 11.264 8.350 -7.050 1.00 0.00 H new ATOM 0 HG11 VAL B 105 11.473 5.953 -7.615 1.00 0.00 H new ATOM 0 HG12 VAL B 105 12.393 6.393 -6.156 1.00 0.00 H new ATOM 0 HG13 VAL B 105 10.839 5.537 -6.004 1.00 0.00 H new ATOM 0 HG21 VAL B 105 9.469 7.102 -8.222 1.00 0.00 H new ATOM 0 HG22 VAL B 105 8.703 6.768 -6.651 1.00 0.00 H new ATOM 0 HG23 VAL B 105 8.834 8.443 -7.239 1.00 0.00 H new ATOM 1270 N GLN B 106 9.133 6.528 -3.861 1.00 0.00 N ATOM 1271 CA GLN B 106 7.920 6.068 -3.185 1.00 0.00 C ATOM 1272 C GLN B 106 7.551 7.015 -2.046 1.00 0.00 C ATOM 1273 O GLN B 106 6.389 7.371 -1.891 1.00 0.00 O ATOM 1274 CB GLN B 106 8.098 4.640 -2.657 1.00 0.00 C ATOM 1275 CG GLN B 106 8.271 3.603 -3.754 1.00 0.00 C ATOM 1276 CD GLN B 106 7.064 3.482 -4.662 1.00 0.00 C ATOM 1277 OE1 GLN B 106 6.182 2.658 -4.431 1.00 0.00 O ATOM 1278 NE2 GLN B 106 7.017 4.295 -5.705 1.00 0.00 N ATOM 0 H GLN B 106 9.909 5.867 -3.834 1.00 0.00 H new ATOM 0 HA GLN B 106 7.107 6.064 -3.911 1.00 0.00 H new ATOM 0 HB2 GLN B 106 8.967 4.610 -2.000 1.00 0.00 H new ATOM 0 HB3 GLN B 106 7.231 4.375 -2.051 1.00 0.00 H new ATOM 0 HG2 GLN B 106 9.144 3.861 -4.354 1.00 0.00 H new ATOM 0 HG3 GLN B 106 8.473 2.633 -3.299 1.00 0.00 H new ATOM 0 HE21 GLN B 106 7.769 4.966 -5.863 1.00 0.00 H new ATOM 0 HE22 GLN B 106 6.229 4.251 -6.351 1.00 0.00 H new ATOM 1287 N ASN B 107 8.556 7.434 -1.275 1.00 0.00 N ATOM 1288 CA ASN B 107 8.371 8.418 -0.202 1.00 0.00 C ATOM 1289 C ASN B 107 7.628 9.660 -0.719 1.00 0.00 C ATOM 1290 O ASN B 107 6.771 10.223 -0.035 1.00 0.00 O ATOM 1291 CB ASN B 107 9.738 8.814 0.376 1.00 0.00 C ATOM 1292 CG ASN B 107 9.645 9.875 1.455 1.00 0.00 C ATOM 1293 OD1 ASN B 107 8.661 9.955 2.192 1.00 0.00 O ATOM 1294 ND2 ASN B 107 10.678 10.698 1.562 1.00 0.00 N ATOM 0 H ASN B 107 9.516 7.104 -1.374 1.00 0.00 H new ATOM 0 HA ASN B 107 7.765 7.968 0.584 1.00 0.00 H new ATOM 0 HB2 ASN B 107 10.222 7.928 0.787 1.00 0.00 H new ATOM 0 HB3 ASN B 107 10.374 9.179 -0.430 1.00 0.00 H new ATOM 0 HD21 ASN B 107 10.676 11.429 2.273 1.00 0.00 H new ATOM 0 HD22 ASN B 107 11.475 10.600 0.933 1.00 0.00 H new ATOM 1301 N ARG B 108 7.942 10.066 -1.941 1.00 0.00 N ATOM 1302 CA ARG B 108 7.316 11.230 -2.550 1.00 0.00 C ATOM 1303 C ARG B 108 5.975 10.869 -3.189 1.00 0.00 C ATOM 1304 O ARG B 108 4.954 11.497 -2.910 1.00 0.00 O ATOM 1305 CB ARG B 108 8.245 11.825 -3.602 1.00 0.00 C ATOM 1306 CG ARG B 108 9.565 12.319 -3.036 1.00 0.00 C ATOM 1307 CD ARG B 108 10.440 12.932 -4.116 1.00 0.00 C ATOM 1308 NE ARG B 108 10.666 12.009 -5.231 1.00 0.00 N ATOM 1309 CZ ARG B 108 11.849 11.472 -5.533 1.00 0.00 C ATOM 1310 NH1 ARG B 108 12.914 11.728 -4.783 1.00 0.00 N ATOM 1311 NH2 ARG B 108 11.965 10.679 -6.591 1.00 0.00 N ATOM 0 H ARG B 108 8.631 9.603 -2.533 1.00 0.00 H new ATOM 0 HA ARG B 108 7.131 11.964 -1.766 1.00 0.00 H new ATOM 0 HB2 ARG B 108 8.445 11.073 -4.365 1.00 0.00 H new ATOM 0 HB3 ARG B 108 7.738 12.654 -4.096 1.00 0.00 H new ATOM 0 HG2 ARG B 108 9.374 13.058 -2.258 1.00 0.00 H new ATOM 0 HG3 ARG B 108 10.093 11.490 -2.566 1.00 0.00 H new ATOM 0 HD2 ARG B 108 9.971 13.842 -4.489 1.00 0.00 H new ATOM 0 HD3 ARG B 108 11.399 13.221 -3.685 1.00 0.00 H new ATOM 0 HE ARG B 108 9.867 11.761 -5.814 1.00 0.00 H new ATOM 0 HH11 ARG B 108 12.831 12.339 -3.970 1.00 0.00 H new ATOM 0 HH12 ARG B 108 13.816 11.314 -5.020 1.00 0.00 H new ATOM 0 HH21 ARG B 108 11.150 10.481 -7.172 1.00 0.00 H new ATOM 0 HH22 ARG B 108 12.869 10.268 -6.823 1.00 0.00 H new ATOM 1325 N VAL B 109 5.993 9.857 -4.051 1.00 0.00 N ATOM 1326 CA VAL B 109 4.800 9.420 -4.772 1.00 0.00 C ATOM 1327 C VAL B 109 3.674 9.063 -3.817 1.00 0.00 C ATOM 1328 O VAL B 109 2.533 9.463 -4.023 1.00 0.00 O ATOM 1329 CB VAL B 109 5.094 8.206 -5.677 1.00 0.00 C ATOM 1330 CG1 VAL B 109 3.839 7.753 -6.411 1.00 0.00 C ATOM 1331 CG2 VAL B 109 6.196 8.544 -6.664 1.00 0.00 C ATOM 0 H VAL B 109 6.831 9.318 -4.270 1.00 0.00 H new ATOM 0 HA VAL B 109 4.491 10.260 -5.394 1.00 0.00 H new ATOM 0 HB VAL B 109 5.428 7.382 -5.046 1.00 0.00 H new ATOM 0 HG11 VAL B 109 4.076 6.896 -7.042 1.00 0.00 H new ATOM 0 HG12 VAL B 109 3.076 7.470 -5.686 1.00 0.00 H new ATOM 0 HG13 VAL B 109 3.466 8.568 -7.031 1.00 0.00 H new ATOM 0 HG21 VAL B 109 6.395 7.680 -7.297 1.00 0.00 H new ATOM 0 HG22 VAL B 109 5.884 9.384 -7.284 1.00 0.00 H new ATOM 0 HG23 VAL B 109 7.102 8.811 -6.120 1.00 0.00 H new ATOM 1341 N TYR B 110 4.003 8.324 -2.768 1.00 0.00 N ATOM 1342 CA TYR B 110 3.013 7.921 -1.780 1.00 0.00 C ATOM 1343 C TYR B 110 2.398 9.137 -1.094 1.00 0.00 C ATOM 1344 O TYR B 110 1.206 9.142 -0.784 1.00 0.00 O ATOM 1345 CB TYR B 110 3.626 6.983 -0.740 1.00 0.00 C ATOM 1346 CG TYR B 110 3.866 5.564 -1.223 1.00 0.00 C ATOM 1347 CD1 TYR B 110 3.457 5.144 -2.486 1.00 0.00 C ATOM 1348 CD2 TYR B 110 4.494 4.639 -0.399 1.00 0.00 C ATOM 1349 CE1 TYR B 110 3.664 3.844 -2.906 1.00 0.00 C ATOM 1350 CE2 TYR B 110 4.707 3.339 -0.815 1.00 0.00 C ATOM 1351 CZ TYR B 110 4.293 2.946 -2.067 1.00 0.00 C ATOM 1352 OH TYR B 110 4.506 1.651 -2.485 1.00 0.00 O ATOM 0 H TYR B 110 4.948 7.991 -2.579 1.00 0.00 H new ATOM 0 HA TYR B 110 2.223 7.385 -2.306 1.00 0.00 H new ATOM 0 HB2 TYR B 110 4.575 7.403 -0.407 1.00 0.00 H new ATOM 0 HB3 TYR B 110 2.970 6.949 0.130 1.00 0.00 H new ATOM 0 HD1 TYR B 110 2.970 5.845 -3.148 1.00 0.00 H new ATOM 0 HD2 TYR B 110 4.822 4.941 0.585 1.00 0.00 H new ATOM 0 HE1 TYR B 110 3.335 3.532 -3.886 1.00 0.00 H new ATOM 0 HE2 TYR B 110 5.197 2.634 -0.160 1.00 0.00 H new ATOM 0 HH TYR B 110 5.122 1.650 -3.247 1.00 0.00 H new ATOM 1362 N LYS B 111 3.207 10.169 -0.862 1.00 0.00 N ATOM 1363 CA LYS B 111 2.695 11.426 -0.326 1.00 0.00 C ATOM 1364 C LYS B 111 1.676 12.020 -1.292 1.00 0.00 C ATOM 1365 O LYS B 111 0.605 12.471 -0.885 1.00 0.00 O ATOM 1366 CB LYS B 111 3.839 12.418 -0.089 1.00 0.00 C ATOM 1367 CG LYS B 111 3.373 13.793 0.368 1.00 0.00 C ATOM 1368 CD LYS B 111 4.544 14.745 0.556 1.00 0.00 C ATOM 1369 CE LYS B 111 4.077 16.147 0.920 1.00 0.00 C ATOM 1370 NZ LYS B 111 3.289 16.783 -0.172 1.00 0.00 N ATOM 0 H LYS B 111 4.212 10.159 -1.036 1.00 0.00 H new ATOM 0 HA LYS B 111 2.210 11.228 0.630 1.00 0.00 H new ATOM 0 HB2 LYS B 111 4.516 12.006 0.660 1.00 0.00 H new ATOM 0 HB3 LYS B 111 4.411 12.526 -1.011 1.00 0.00 H new ATOM 0 HG2 LYS B 111 2.681 14.206 -0.366 1.00 0.00 H new ATOM 0 HG3 LYS B 111 2.825 13.699 1.305 1.00 0.00 H new ATOM 0 HD2 LYS B 111 5.200 14.365 1.339 1.00 0.00 H new ATOM 0 HD3 LYS B 111 5.132 14.784 -0.361 1.00 0.00 H new ATOM 0 HE2 LYS B 111 3.470 16.102 1.824 1.00 0.00 H new ATOM 0 HE3 LYS B 111 4.943 16.768 1.149 1.00 0.00 H new ATOM 0 HZ1 LYS B 111 3.296 17.816 -0.049 1.00 0.00 H new ATOM 0 HZ2 LYS B 111 3.711 16.541 -1.091 1.00 0.00 H new ATOM 0 HZ3 LYS B 111 2.309 16.437 -0.139 1.00 0.00 H new ATOM 1384 N LYS B 112 2.021 11.987 -2.572 1.00 0.00 N ATOM 1385 CA LYS B 112 1.158 12.503 -3.625 1.00 0.00 C ATOM 1386 C LYS B 112 -0.121 11.674 -3.737 1.00 0.00 C ATOM 1387 O LYS B 112 -1.188 12.206 -4.054 1.00 0.00 O ATOM 1388 CB LYS B 112 1.918 12.506 -4.954 1.00 0.00 C ATOM 1389 CG LYS B 112 3.218 13.295 -4.896 1.00 0.00 C ATOM 1390 CD LYS B 112 4.121 13.001 -6.084 1.00 0.00 C ATOM 1391 CE LYS B 112 3.568 13.569 -7.378 1.00 0.00 C ATOM 1392 NZ LYS B 112 3.510 15.054 -7.355 1.00 0.00 N ATOM 0 H LYS B 112 2.904 11.603 -2.909 1.00 0.00 H new ATOM 0 HA LYS B 112 0.870 13.524 -3.376 1.00 0.00 H new ATOM 0 HB2 LYS B 112 2.136 11.478 -5.243 1.00 0.00 H new ATOM 0 HB3 LYS B 112 1.279 12.927 -5.730 1.00 0.00 H new ATOM 0 HG2 LYS B 112 2.993 14.361 -4.868 1.00 0.00 H new ATOM 0 HG3 LYS B 112 3.746 13.056 -3.973 1.00 0.00 H new ATOM 0 HD2 LYS B 112 5.110 13.420 -5.899 1.00 0.00 H new ATOM 0 HD3 LYS B 112 4.245 11.923 -6.186 1.00 0.00 H new ATOM 0 HE2 LYS B 112 4.190 13.243 -8.212 1.00 0.00 H new ATOM 0 HE3 LYS B 112 2.569 13.170 -7.551 1.00 0.00 H new ATOM 0 HZ1 LYS B 112 3.374 15.411 -8.322 1.00 0.00 H new ATOM 0 HZ2 LYS B 112 2.716 15.361 -6.758 1.00 0.00 H new ATOM 0 HZ3 LYS B 112 4.399 15.430 -6.969 1.00 0.00 H new ATOM 1406 N GLU B 113 -0.009 10.369 -3.485 1.00 0.00 N ATOM 1407 CA GLU B 113 -1.170 9.489 -3.449 1.00 0.00 C ATOM 1408 C GLU B 113 -2.161 9.967 -2.406 1.00 0.00 C ATOM 1409 O GLU B 113 -3.328 10.170 -2.705 1.00 0.00 O ATOM 1410 CB GLU B 113 -0.751 8.058 -3.121 1.00 0.00 C ATOM 1411 CG GLU B 113 0.186 7.453 -4.147 1.00 0.00 C ATOM 1412 CD GLU B 113 -0.521 7.079 -5.432 1.00 0.00 C ATOM 1413 OE1 GLU B 113 -0.463 7.862 -6.402 1.00 0.00 O ATOM 1414 OE2 GLU B 113 -1.146 6.003 -5.480 1.00 0.00 O ATOM 0 H GLU B 113 0.878 9.900 -3.303 1.00 0.00 H new ATOM 0 HA GLU B 113 -1.638 9.509 -4.433 1.00 0.00 H new ATOM 0 HB2 GLU B 113 -0.266 8.044 -2.145 1.00 0.00 H new ATOM 0 HB3 GLU B 113 -1.642 7.436 -3.043 1.00 0.00 H new ATOM 0 HG2 GLU B 113 0.983 8.163 -4.369 1.00 0.00 H new ATOM 0 HG3 GLU B 113 0.657 6.566 -3.724 1.00 0.00 H new ATOM 1421 N ILE B 114 -1.677 10.162 -1.183 1.00 0.00 N ATOM 1422 CA ILE B 114 -2.521 10.574 -0.069 1.00 0.00 C ATOM 1423 C ILE B 114 -3.284 11.859 -0.376 1.00 0.00 C ATOM 1424 O ILE B 114 -4.434 12.012 0.022 1.00 0.00 O ATOM 1425 CB ILE B 114 -1.678 10.759 1.203 1.00 0.00 C ATOM 1426 CG1 ILE B 114 -1.005 9.435 1.553 1.00 0.00 C ATOM 1427 CG2 ILE B 114 -2.536 11.262 2.357 1.00 0.00 C ATOM 1428 CD1 ILE B 114 -0.054 9.526 2.719 1.00 0.00 C ATOM 0 H ILE B 114 -0.694 10.039 -0.938 1.00 0.00 H new ATOM 0 HA ILE B 114 -3.252 9.782 0.092 1.00 0.00 H new ATOM 0 HB ILE B 114 -0.911 11.512 1.021 1.00 0.00 H new ATOM 0 HG12 ILE B 114 -1.774 8.696 1.780 1.00 0.00 H new ATOM 0 HG13 ILE B 114 -0.462 9.072 0.680 1.00 0.00 H new ATOM 0 HG21 ILE B 114 -1.916 11.385 3.245 1.00 0.00 H new ATOM 0 HG22 ILE B 114 -2.980 12.221 2.089 1.00 0.00 H new ATOM 0 HG23 ILE B 114 -3.327 10.541 2.564 1.00 0.00 H new ATOM 0 HD11 ILE B 114 0.385 8.546 2.908 1.00 0.00 H new ATOM 0 HD12 ILE B 114 0.737 10.240 2.489 1.00 0.00 H new ATOM 0 HD13 ILE B 114 -0.595 9.858 3.605 1.00 0.00 H new ATOM 1440 N GLN B 115 -2.647 12.768 -1.099 1.00 0.00 N ATOM 1441 CA GLN B 115 -3.286 14.020 -1.482 1.00 0.00 C ATOM 1442 C GLN B 115 -4.460 13.750 -2.415 1.00 0.00 C ATOM 1443 O GLN B 115 -5.535 14.337 -2.274 1.00 0.00 O ATOM 1444 CB GLN B 115 -2.279 14.931 -2.157 1.00 0.00 C ATOM 1445 CG GLN B 115 -0.981 15.045 -1.388 1.00 0.00 C ATOM 1446 CD GLN B 115 -0.102 16.157 -1.904 1.00 0.00 C ATOM 1447 OE1 GLN B 115 0.706 16.720 -1.167 1.00 0.00 O ATOM 1448 NE2 GLN B 115 -0.265 16.494 -3.171 1.00 0.00 N ATOM 0 H GLN B 115 -1.689 12.663 -1.433 1.00 0.00 H new ATOM 0 HA GLN B 115 -3.661 14.512 -0.585 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -2.070 14.555 -3.159 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -2.715 15.923 -2.273 1.00 0.00 H new ATOM 0 HG2 GLN B 115 -1.200 15.218 -0.334 1.00 0.00 H new ATOM 0 HG3 GLN B 115 -0.441 14.100 -1.450 1.00 0.00 H new ATOM 0 HE21 GLN B 115 -0.947 16.000 -3.746 1.00 0.00 H new ATOM 0 HE22 GLN B 115 0.291 17.248 -3.574 1.00 0.00 H new ATOM 1457 N ALA B 116 -4.242 12.847 -3.360 1.00 0.00 N ATOM 1458 CA ALA B 116 -5.292 12.407 -4.267 1.00 0.00 C ATOM 1459 C ALA B 116 -6.370 11.661 -3.493 1.00 0.00 C ATOM 1460 O ALA B 116 -7.562 11.919 -3.650 1.00 0.00 O ATOM 1461 CB ALA B 116 -4.707 11.507 -5.343 1.00 0.00 C ATOM 0 H ALA B 116 -3.338 12.401 -3.519 1.00 0.00 H new ATOM 0 HA ALA B 116 -5.738 13.281 -4.742 1.00 0.00 H new ATOM 0 HB1 ALA B 116 -5.500 11.183 -6.017 1.00 0.00 H new ATOM 0 HB2 ALA B 116 -3.954 12.057 -5.907 1.00 0.00 H new ATOM 0 HB3 ALA B 116 -4.247 10.635 -4.878 1.00 0.00 H new ATOM 1467 N LEU B 117 -5.925 10.759 -2.632 1.00 0.00 N ATOM 1468 CA LEU B 117 -6.816 9.957 -1.810 1.00 0.00 C ATOM 1469 C LEU B 117 -7.645 10.848 -0.887 1.00 0.00 C ATOM 1470 O LEU B 117 -8.756 10.498 -0.516 1.00 0.00 O ATOM 1471 CB LEU B 117 -6.002 8.942 -0.996 1.00 0.00 C ATOM 1472 CG LEU B 117 -5.136 7.990 -1.834 1.00 0.00 C ATOM 1473 CD1 LEU B 117 -4.233 7.147 -0.951 1.00 0.00 C ATOM 1474 CD2 LEU B 117 -6.003 7.093 -2.702 1.00 0.00 C ATOM 0 H LEU B 117 -4.935 10.563 -2.484 1.00 0.00 H new ATOM 0 HA LEU B 117 -7.503 9.415 -2.461 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -5.356 9.485 -0.306 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -6.688 8.349 -0.391 1.00 0.00 H new ATOM 0 HG LEU B 117 -4.508 8.602 -2.481 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -3.632 6.483 -1.573 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -3.575 7.799 -0.376 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -4.842 6.553 -0.270 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -5.367 6.428 -3.286 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -6.663 6.501 -2.068 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -6.602 7.707 -3.375 1.00 0.00 H new ATOM 1486 N ASP B 118 -7.102 12.010 -0.541 1.00 0.00 N ATOM 1487 CA ASP B 118 -7.817 12.983 0.283 1.00 0.00 C ATOM 1488 C ASP B 118 -8.977 13.602 -0.494 1.00 0.00 C ATOM 1489 O ASP B 118 -10.031 13.908 0.071 1.00 0.00 O ATOM 1490 CB ASP B 118 -6.863 14.073 0.771 1.00 0.00 C ATOM 1491 CG ASP B 118 -7.585 15.205 1.472 1.00 0.00 C ATOM 1492 OD1 ASP B 118 -7.797 16.262 0.836 1.00 0.00 O ATOM 1493 OD2 ASP B 118 -7.942 15.045 2.660 1.00 0.00 O ATOM 0 H ASP B 118 -6.165 12.304 -0.819 1.00 0.00 H new ATOM 0 HA ASP B 118 -8.224 12.462 1.150 1.00 0.00 H new ATOM 0 HB2 ASP B 118 -6.134 13.635 1.452 1.00 0.00 H new ATOM 0 HB3 ASP B 118 -6.307 14.471 -0.078 1.00 0.00 H new ATOM 1498 N ALA B 119 -8.791 13.772 -1.793 1.00 0.00 N ATOM 1499 CA ALA B 119 -9.869 14.229 -2.655 1.00 0.00 C ATOM 1500 C ALA B 119 -10.926 13.138 -2.753 1.00 0.00 C ATOM 1501 O ALA B 119 -12.130 13.404 -2.807 1.00 0.00 O ATOM 1502 CB ALA B 119 -9.338 14.593 -4.032 1.00 0.00 C ATOM 0 H ALA B 119 -7.907 13.601 -2.272 1.00 0.00 H new ATOM 0 HA ALA B 119 -10.318 15.126 -2.228 1.00 0.00 H new ATOM 0 HB1 ALA B 119 -10.161 14.932 -4.661 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -8.600 15.390 -3.938 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -8.872 13.718 -4.485 1.00 0.00 H new ATOM 1508 N GLU B 120 -10.462 11.901 -2.767 1.00 0.00 N ATOM 1509 CA GLU B 120 -11.340 10.758 -2.693 1.00 0.00 C ATOM 1510 C GLU B 120 -12.037 10.709 -1.331 1.00 0.00 C ATOM 1511 O GLU B 120 -13.134 10.190 -1.210 1.00 0.00 O ATOM 1512 CB GLU B 120 -10.559 9.475 -2.936 1.00 0.00 C ATOM 1513 CG GLU B 120 -10.441 9.054 -4.395 1.00 0.00 C ATOM 1514 CD GLU B 120 -9.838 10.117 -5.297 1.00 0.00 C ATOM 1515 OE1 GLU B 120 -8.633 10.025 -5.615 1.00 0.00 O ATOM 1516 OE2 GLU B 120 -10.575 11.034 -5.716 1.00 0.00 O ATOM 0 H GLU B 120 -9.471 11.666 -2.830 1.00 0.00 H new ATOM 0 HA GLU B 120 -12.101 10.853 -3.468 1.00 0.00 H new ATOM 0 HB2 GLU B 120 -9.556 9.596 -2.527 1.00 0.00 H new ATOM 0 HB3 GLU B 120 -11.035 8.668 -2.379 1.00 0.00 H new ATOM 0 HG2 GLU B 120 -9.831 8.153 -4.454 1.00 0.00 H new ATOM 0 HG3 GLU B 120 -11.431 8.794 -4.769 1.00 0.00 H new ATOM 1523 N ILE B 121 -11.397 11.240 -0.300 1.00 0.00 N ATOM 1524 CA ILE B 121 -12.039 11.350 1.007 1.00 0.00 C ATOM 1525 C ILE B 121 -13.349 12.132 0.894 1.00 0.00 C ATOM 1526 O ILE B 121 -14.294 11.887 1.641 1.00 0.00 O ATOM 1527 CB ILE B 121 -11.096 11.973 2.075 1.00 0.00 C ATOM 1528 CG1 ILE B 121 -10.525 10.878 2.977 1.00 0.00 C ATOM 1529 CG2 ILE B 121 -11.802 13.025 2.918 1.00 0.00 C ATOM 1530 CD1 ILE B 121 -9.706 9.846 2.241 1.00 0.00 C ATOM 0 H ILE B 121 -10.443 11.599 -0.339 1.00 0.00 H new ATOM 0 HA ILE B 121 -12.268 10.340 1.347 1.00 0.00 H new ATOM 0 HB ILE B 121 -10.284 12.469 1.543 1.00 0.00 H new ATOM 0 HG12 ILE B 121 -9.905 11.340 3.745 1.00 0.00 H new ATOM 0 HG13 ILE B 121 -11.347 10.378 3.490 1.00 0.00 H new ATOM 0 HG21 ILE B 121 -11.105 13.432 3.650 1.00 0.00 H new ATOM 0 HG22 ILE B 121 -12.161 13.827 2.273 1.00 0.00 H new ATOM 0 HG23 ILE B 121 -12.647 12.570 3.435 1.00 0.00 H new ATOM 0 HD11 ILE B 121 -9.336 9.104 2.948 1.00 0.00 H new ATOM 0 HD12 ILE B 121 -10.327 9.355 1.492 1.00 0.00 H new ATOM 0 HD13 ILE B 121 -8.863 10.333 1.751 1.00 0.00 H new ATOM 1542 N ARG B 122 -13.414 13.044 -0.071 1.00 0.00 N ATOM 1543 CA ARG B 122 -14.651 13.755 -0.360 1.00 0.00 C ATOM 1544 C ARG B 122 -15.740 12.781 -0.804 1.00 0.00 C ATOM 1545 O ARG B 122 -16.865 12.837 -0.308 1.00 0.00 O ATOM 1546 CB ARG B 122 -14.424 14.821 -1.432 1.00 0.00 C ATOM 1547 CG ARG B 122 -15.687 15.561 -1.832 1.00 0.00 C ATOM 1548 CD ARG B 122 -15.400 16.600 -2.898 1.00 0.00 C ATOM 1549 NE ARG B 122 -16.615 17.257 -3.366 1.00 0.00 N ATOM 1550 CZ ARG B 122 -16.656 18.085 -4.407 1.00 0.00 C ATOM 1551 NH1 ARG B 122 -15.543 18.373 -5.074 1.00 0.00 N ATOM 1552 NH2 ARG B 122 -17.810 18.627 -4.777 1.00 0.00 N ATOM 0 H ARG B 122 -12.626 13.306 -0.664 1.00 0.00 H new ATOM 0 HA ARG B 122 -14.979 14.249 0.554 1.00 0.00 H new ATOM 0 HB2 ARG B 122 -13.692 15.541 -1.067 1.00 0.00 H new ATOM 0 HB3 ARG B 122 -13.994 14.349 -2.316 1.00 0.00 H new ATOM 0 HG2 ARG B 122 -16.426 14.850 -2.203 1.00 0.00 H new ATOM 0 HG3 ARG B 122 -16.121 16.045 -0.957 1.00 0.00 H new ATOM 0 HD2 ARG B 122 -14.715 17.348 -2.499 1.00 0.00 H new ATOM 0 HD3 ARG B 122 -14.898 16.125 -3.741 1.00 0.00 H new ATOM 0 HE ARG B 122 -17.484 17.071 -2.866 1.00 0.00 H new ATOM 0 HH11 ARG B 122 -14.656 17.959 -4.788 1.00 0.00 H new ATOM 0 HH12 ARG B 122 -15.576 19.008 -5.872 1.00 0.00 H new ATOM 0 HH21 ARG B 122 -18.664 18.409 -4.264 1.00 0.00 H new ATOM 0 HH22 ARG B 122 -17.843 19.262 -5.575 1.00 0.00 H new ATOM 1566 N LYS B 123 -15.394 11.877 -1.727 1.00 0.00 N ATOM 1567 CA LYS B 123 -16.345 10.855 -2.184 1.00 0.00 C ATOM 1568 C LYS B 123 -16.770 9.982 -1.006 1.00 0.00 C ATOM 1569 O LYS B 123 -17.907 9.519 -0.933 1.00 0.00 O ATOM 1570 CB LYS B 123 -15.738 9.973 -3.288 1.00 0.00 C ATOM 1571 CG LYS B 123 -14.933 8.789 -2.768 1.00 0.00 C ATOM 1572 CD LYS B 123 -13.866 8.349 -3.749 1.00 0.00 C ATOM 1573 CE LYS B 123 -14.427 8.066 -5.124 1.00 0.00 C ATOM 1574 NZ LYS B 123 -15.232 6.827 -5.160 1.00 0.00 N ATOM 0 H LYS B 123 -14.475 11.831 -2.168 1.00 0.00 H new ATOM 0 HA LYS B 123 -17.214 11.366 -2.599 1.00 0.00 H new ATOM 0 HB2 LYS B 123 -16.542 9.601 -3.923 1.00 0.00 H new ATOM 0 HB3 LYS B 123 -15.094 10.588 -3.916 1.00 0.00 H new ATOM 0 HG2 LYS B 123 -14.465 9.058 -1.821 1.00 0.00 H new ATOM 0 HG3 LYS B 123 -15.605 7.955 -2.566 1.00 0.00 H new ATOM 0 HD2 LYS B 123 -13.103 9.124 -3.824 1.00 0.00 H new ATOM 0 HD3 LYS B 123 -13.374 7.453 -3.369 1.00 0.00 H new ATOM 0 HE2 LYS B 123 -15.044 8.906 -5.442 1.00 0.00 H new ATOM 0 HE3 LYS B 123 -13.608 7.985 -5.838 1.00 0.00 H new ATOM 0 HZ1 LYS B 123 -15.718 6.755 -6.077 1.00 0.00 H new ATOM 0 HZ2 LYS B 123 -14.609 6.004 -5.033 1.00 0.00 H new ATOM 0 HZ3 LYS B 123 -15.937 6.848 -4.395 1.00 0.00 H new ATOM 1588 N LEU B 124 -15.838 9.763 -0.093 1.00 0.00 N ATOM 1589 CA LEU B 124 -16.108 9.012 1.112 1.00 0.00 C ATOM 1590 C LEU B 124 -17.089 9.754 1.995 1.00 0.00 C ATOM 1591 O LEU B 124 -18.213 9.307 2.168 1.00 0.00 O ATOM 1592 CB LEU B 124 -14.811 8.754 1.877 1.00 0.00 C ATOM 1593 CG LEU B 124 -13.837 7.790 1.206 1.00 0.00 C ATOM 1594 CD1 LEU B 124 -12.552 7.690 2.011 1.00 0.00 C ATOM 1595 CD2 LEU B 124 -14.473 6.425 1.068 1.00 0.00 C ATOM 0 H LEU B 124 -14.879 10.101 -0.170 1.00 0.00 H new ATOM 0 HA LEU B 124 -16.549 8.057 0.828 1.00 0.00 H new ATOM 0 HB2 LEU B 124 -14.304 9.707 2.032 1.00 0.00 H new ATOM 0 HB3 LEU B 124 -15.062 8.363 2.863 1.00 0.00 H new ATOM 0 HG LEU B 124 -13.596 8.171 0.213 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -11.868 6.999 1.519 1.00 0.00 H new ATOM 0 HD12 LEU B 124 -12.088 8.674 2.079 1.00 0.00 H new ATOM 0 HD13 LEU B 124 -12.778 7.326 3.013 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -13.771 5.743 0.588 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -14.732 6.043 2.055 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -15.375 6.504 0.461 1.00 0.00 H new ATOM 1607 N GLU B 125 -16.673 10.904 2.516 1.00 0.00 N ATOM 1608 CA GLU B 125 -17.456 11.630 3.511 1.00 0.00 C ATOM 1609 C GLU B 125 -18.896 11.856 3.054 1.00 0.00 C ATOM 1610 O GLU B 125 -19.822 11.759 3.857 1.00 0.00 O ATOM 1611 CB GLU B 125 -16.795 12.965 3.859 1.00 0.00 C ATOM 1612 CG GLU B 125 -15.397 12.819 4.448 1.00 0.00 C ATOM 1613 CD GLU B 125 -14.857 14.118 5.015 1.00 0.00 C ATOM 1614 OE1 GLU B 125 -15.180 14.441 6.177 1.00 0.00 O ATOM 1615 OE2 GLU B 125 -14.104 14.819 4.310 1.00 0.00 O ATOM 0 H GLU B 125 -15.794 11.355 2.264 1.00 0.00 H new ATOM 0 HA GLU B 125 -17.487 11.009 4.406 1.00 0.00 H new ATOM 0 HB2 GLU B 125 -16.739 13.578 2.960 1.00 0.00 H new ATOM 0 HB3 GLU B 125 -17.426 13.499 4.570 1.00 0.00 H new ATOM 0 HG2 GLU B 125 -15.417 12.065 5.235 1.00 0.00 H new ATOM 0 HG3 GLU B 125 -14.719 12.456 3.676 1.00 0.00 H new ATOM 1622 N ARG B 126 -19.094 12.120 1.763 1.00 0.00 N ATOM 1623 CA ARG B 126 -20.440 12.345 1.241 1.00 0.00 C ATOM 1624 C ARG B 126 -21.291 11.073 1.330 1.00 0.00 C ATOM 1625 O ARG B 126 -22.510 11.149 1.466 1.00 0.00 O ATOM 1626 CB ARG B 126 -20.397 12.873 -0.202 1.00 0.00 C ATOM 1627 CG ARG B 126 -19.760 11.919 -1.197 1.00 0.00 C ATOM 1628 CD ARG B 126 -19.617 12.555 -2.571 1.00 0.00 C ATOM 1629 NE ARG B 126 -20.911 12.801 -3.206 1.00 0.00 N ATOM 1630 CZ ARG B 126 -21.086 13.595 -4.264 1.00 0.00 C ATOM 1631 NH1 ARG B 126 -20.061 14.261 -4.781 1.00 0.00 N ATOM 1632 NH2 ARG B 126 -22.290 13.724 -4.804 1.00 0.00 N ATOM 0 H ARG B 126 -18.350 12.183 1.068 1.00 0.00 H new ATOM 0 HA ARG B 126 -20.909 13.107 1.864 1.00 0.00 H new ATOM 0 HB2 ARG B 126 -21.414 13.093 -0.527 1.00 0.00 H new ATOM 0 HB3 ARG B 126 -19.848 13.814 -0.216 1.00 0.00 H new ATOM 0 HG2 ARG B 126 -18.779 11.614 -0.833 1.00 0.00 H new ATOM 0 HG3 ARG B 126 -20.366 11.016 -1.275 1.00 0.00 H new ATOM 0 HD2 ARG B 126 -19.075 13.496 -2.479 1.00 0.00 H new ATOM 0 HD3 ARG B 126 -19.019 11.905 -3.210 1.00 0.00 H new ATOM 0 HE ARG B 126 -21.731 12.337 -2.816 1.00 0.00 H new ATOM 0 HH11 ARG B 126 -19.132 14.168 -4.369 1.00 0.00 H new ATOM 0 HH12 ARG B 126 -20.202 14.866 -5.590 1.00 0.00 H new ATOM 0 HH21 ARG B 126 -23.082 13.216 -4.411 1.00 0.00 H new ATOM 0 HH22 ARG B 126 -22.424 14.331 -5.613 1.00 0.00 H new ATOM 1646 N LEU B 127 -20.657 9.906 1.253 1.00 0.00 N ATOM 1647 CA LEU B 127 -21.375 8.649 1.408 1.00 0.00 C ATOM 1648 C LEU B 127 -21.399 8.215 2.882 1.00 0.00 C ATOM 1649 O LEU B 127 -22.433 7.781 3.387 1.00 0.00 O ATOM 1650 CB LEU B 127 -20.748 7.571 0.519 1.00 0.00 C ATOM 1651 CG LEU B 127 -21.748 6.776 -0.336 1.00 0.00 C ATOM 1652 CD1 LEU B 127 -21.022 5.791 -1.233 1.00 0.00 C ATOM 1653 CD2 LEU B 127 -22.760 6.046 0.535 1.00 0.00 C ATOM 0 H LEU B 127 -19.656 9.807 1.086 1.00 0.00 H new ATOM 0 HA LEU B 127 -22.408 8.792 1.091 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -20.022 8.043 -0.142 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -20.198 6.874 1.151 1.00 0.00 H new ATOM 0 HG LEU B 127 -22.288 7.488 -0.961 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -21.748 5.239 -1.830 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -20.345 6.332 -1.894 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -20.450 5.094 -0.620 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -23.453 5.493 -0.099 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -22.239 5.352 1.195 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -23.314 6.769 1.134 1.00 0.00 H new ATOM 1665 N LEU B 128 -20.255 8.319 3.559 1.00 0.00 N ATOM 1666 CA LEU B 128 -20.155 8.115 4.993 1.00 0.00 C ATOM 1667 C LEU B 128 -21.263 8.826 5.760 1.00 0.00 C ATOM 1668 O LEU B 128 -22.055 8.182 6.447 1.00 0.00 O ATOM 1669 CB LEU B 128 -18.802 8.632 5.458 1.00 0.00 C ATOM 1670 CG LEU B 128 -17.637 7.657 5.303 1.00 0.00 C ATOM 1671 CD1 LEU B 128 -17.529 7.084 3.901 1.00 0.00 C ATOM 1672 CD2 LEU B 128 -16.340 8.336 5.705 1.00 0.00 C ATOM 0 H LEU B 128 -19.366 8.550 3.116 1.00 0.00 H new ATOM 0 HA LEU B 128 -20.260 7.049 5.194 1.00 0.00 H new ATOM 0 HB2 LEU B 128 -18.569 9.540 4.902 1.00 0.00 H new ATOM 0 HB3 LEU B 128 -18.881 8.912 6.508 1.00 0.00 H new ATOM 0 HG LEU B 128 -17.830 6.814 5.966 1.00 0.00 H new ATOM 0 HD11 LEU B 128 -16.683 6.398 3.852 1.00 0.00 H new ATOM 0 HD12 LEU B 128 -18.446 6.548 3.656 1.00 0.00 H new ATOM 0 HD13 LEU B 128 -17.381 7.894 3.187 1.00 0.00 H new ATOM 0 HD21 LEU B 128 -15.512 7.636 5.592 1.00 0.00 H new ATOM 0 HD22 LEU B 128 -16.171 9.203 5.067 1.00 0.00 H new ATOM 0 HD23 LEU B 128 -16.404 8.657 6.745 1.00 0.00 H new ATOM 1684 N GLU B 129 -21.316 10.146 5.631 1.00 0.00 N ATOM 1685 CA GLU B 129 -22.318 10.958 6.321 1.00 0.00 C ATOM 1686 C GLU B 129 -23.732 10.587 5.885 1.00 0.00 C ATOM 1687 O GLU B 129 -24.700 10.803 6.615 1.00 0.00 O ATOM 1688 CB GLU B 129 -22.059 12.436 6.049 1.00 0.00 C ATOM 1689 CG GLU B 129 -20.717 12.915 6.572 1.00 0.00 C ATOM 1690 CD GLU B 129 -20.418 14.349 6.192 1.00 0.00 C ATOM 1691 OE1 GLU B 129 -19.254 14.646 5.840 1.00 0.00 O ATOM 1692 OE2 GLU B 129 -21.347 15.181 6.212 1.00 0.00 O ATOM 0 H GLU B 129 -20.672 10.683 5.050 1.00 0.00 H new ATOM 0 HA GLU B 129 -22.236 10.763 7.390 1.00 0.00 H new ATOM 0 HB2 GLU B 129 -22.108 12.615 4.975 1.00 0.00 H new ATOM 0 HB3 GLU B 129 -22.852 13.027 6.507 1.00 0.00 H new ATOM 0 HG2 GLU B 129 -20.701 12.821 7.658 1.00 0.00 H new ATOM 0 HG3 GLU B 129 -19.929 12.269 6.184 1.00 0.00 H new ATOM 1699 N SER B 130 -23.838 10.017 4.694 1.00 0.00 N ATOM 1700 CA SER B 130 -25.118 9.566 4.163 1.00 0.00 C ATOM 1701 C SER B 130 -25.549 8.254 4.832 1.00 0.00 C ATOM 1702 O SER B 130 -26.621 7.720 4.547 1.00 0.00 O ATOM 1703 CB SER B 130 -25.021 9.390 2.640 1.00 0.00 C ATOM 1704 OG SER B 130 -26.276 9.067 2.065 1.00 0.00 O ATOM 0 H SER B 130 -23.046 9.854 4.072 1.00 0.00 H new ATOM 0 HA SER B 130 -25.873 10.321 4.381 1.00 0.00 H new ATOM 0 HB2 SER B 130 -24.642 10.308 2.192 1.00 0.00 H new ATOM 0 HB3 SER B 130 -24.303 8.603 2.410 1.00 0.00 H new ATOM 0 HG SER B 130 -26.799 8.534 2.699 1.00 0.00 H new ATOM 1710 N GLY B 131 -24.705 7.739 5.720 1.00 0.00 N ATOM 1711 CA GLY B 131 -25.057 6.551 6.468 1.00 0.00 C ATOM 1712 C GLY B 131 -24.319 5.312 6.005 1.00 0.00 C ATOM 1713 O GLY B 131 -24.837 4.203 6.121 1.00 0.00 O ATOM 0 H GLY B 131 -23.785 8.124 5.933 1.00 0.00 H new ATOM 0 HA2 GLY B 131 -24.845 6.719 7.524 1.00 0.00 H new ATOM 0 HA3 GLY B 131 -26.130 6.380 6.382 1.00 0.00 H new ATOM 1717 N LEU B 132 -23.115 5.485 5.474 1.00 0.00 N ATOM 1718 CA LEU B 132 -22.318 4.353 5.032 1.00 0.00 C ATOM 1719 C LEU B 132 -21.389 3.869 6.140 1.00 0.00 C ATOM 1720 O LEU B 132 -21.363 2.680 6.456 1.00 0.00 O ATOM 1721 CB LEU B 132 -21.502 4.739 3.806 1.00 0.00 C ATOM 1722 CG LEU B 132 -20.606 3.641 3.242 1.00 0.00 C ATOM 1723 CD1 LEU B 132 -21.436 2.519 2.641 1.00 0.00 C ATOM 1724 CD2 LEU B 132 -19.668 4.231 2.210 1.00 0.00 C ATOM 0 H LEU B 132 -22.673 6.394 5.340 1.00 0.00 H new ATOM 0 HA LEU B 132 -22.997 3.540 4.775 1.00 0.00 H new ATOM 0 HB2 LEU B 132 -22.187 5.063 3.023 1.00 0.00 H new ATOM 0 HB3 LEU B 132 -20.880 5.597 4.061 1.00 0.00 H new ATOM 0 HG LEU B 132 -20.016 3.215 4.054 1.00 0.00 H new ATOM 0 HD11 LEU B 132 -20.774 1.748 2.246 1.00 0.00 H new ATOM 0 HD12 LEU B 132 -22.076 2.088 3.411 1.00 0.00 H new ATOM 0 HD13 LEU B 132 -22.054 2.915 1.835 1.00 0.00 H new ATOM 0 HD21 LEU B 132 -19.029 3.445 1.808 1.00 0.00 H new ATOM 0 HD22 LEU B 132 -20.249 4.675 1.402 1.00 0.00 H new ATOM 0 HD23 LEU B 132 -19.050 4.998 2.676 1.00 0.00 H new ATOM 1736 N THR B 133 -20.651 4.806 6.729 1.00 0.00 N ATOM 1737 CA THR B 133 -19.643 4.498 7.738 1.00 0.00 C ATOM 1738 C THR B 133 -18.472 3.737 7.110 1.00 0.00 C ATOM 1739 O THR B 133 -17.600 4.391 6.499 1.00 0.00 O ATOM 1740 CB THR B 133 -20.234 3.682 8.909 1.00 0.00 C ATOM 1741 OG1 THR B 133 -21.467 4.276 9.343 1.00 0.00 O ATOM 1742 CG2 THR B 133 -19.262 3.625 10.081 1.00 0.00 C ATOM 1743 OXT THR B 133 -18.426 2.493 7.222 1.00 0.00 O ATOM 0 H THR B 133 -20.735 5.801 6.520 1.00 0.00 H new ATOM 0 HA THR B 133 -19.284 5.446 8.138 1.00 0.00 H new ATOM 0 HB THR B 133 -20.416 2.666 8.557 1.00 0.00 H new ATOM 0 HG1 THR B 133 -21.838 3.754 10.084 1.00 0.00 H new ATOM 0 HG21 THR B 133 -19.703 3.045 10.892 1.00 0.00 H new ATOM 0 HG22 THR B 133 -18.333 3.153 9.761 1.00 0.00 H new ATOM 0 HG23 THR B 133 -19.054 4.636 10.430 1.00 0.00 H new TER 1751 THR B 133