USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 573 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 ASN :FLIP amide:sc= -1.05 F(o=-2.5!,f=-0.29) USER MOD Set 1.2: B 123 THR OG1 : rot 74:sc= 0.76 USER MOD Set 2.1: B 113 ASN : amide:sc= -0.441 K(o=-0.038,f=-2.4) USER MOD Set 2.2: B 117 LYS NZ :NH3+ -169:sc= 0.403 (180deg=-0.0151) USER MOD Set 3.1: A 25 MET CE :methyl -122:sc= -0.139 (180deg=-1.69!) USER MOD Set 3.2: A 28 THR OG1 : rot 65:sc= 0.97 USER MOD Single : A 3 LYS NZ :NH3+ 155:sc= -0.282 (180deg=-0.884) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0.207 X(o=0.21,f=-0.13) USER MOD Single : A 13 ASN :FLIP amide:sc= -0.128 F(o=-0.98,f=-0.13) USER MOD Single : A 15 LYS NZ :NH3+ -171:sc= 0.65 (180deg=0.594) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN :FLIP amide:sc= -3.13! F(o=-3.8,f=-3.1!) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 77:sc= 1.08 USER MOD Single : A 31 LYS NZ :NH3+ -137:sc= -1.15 (180deg=-3.48!) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.79 F(o=-5.6!,f=-0.79) USER MOD Single : B 103 LYS NZ :NH3+ 159:sc= -0.0971 (180deg=-0.495) USER MOD Single : B 104 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0591) USER MOD Single : B 106 TYR OH : rot 180:sc= 0 USER MOD Single : B 108 GLN :FLIP amide:sc= -0.098 F(o=-0.75,f=-0.098) USER MOD Single : B 115 LYS NZ :NH3+ -130:sc= 1.02 (180deg=0.0643) USER MOD Single : B 119 GLN : amide:sc= -2.84! C(o=-2.8!,f=-2.6!) USER MOD Single : B 121 HIS : no HD1:sc= 0 X(o=0,f=-0.0059) USER MOD Single : B 124 ASN :FLIP amide:sc= -1.41 F(o=-3.9!,f=-1.4) USER MOD Single : B 125 MET CE :methyl -164:sc= -0.0753 (180deg=-0.44) USER MOD Single : B 128 THR OG1 : rot 65:sc= 0.938 USER MOD Single : B 131 LYS NZ :NH3+ 167:sc= -0.0111 (180deg=-0.252) USER MOD Single : B 133 GLN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 3 12.071 -7.221 22.493 1.00 33.14 N ATOM 36 CA LYS A 3 11.100 -6.109 22.458 1.00 44.24 C ATOM 37 C LYS A 3 11.257 -5.322 21.140 1.00 3.12 C ATOM 38 O LYS A 3 10.271 -4.904 20.520 1.00 62.23 O ATOM 39 CB LYS A 3 11.256 -5.185 23.718 1.00 43.24 C ATOM 40 CG LYS A 3 12.389 -4.108 23.717 1.00 74.20 C ATOM 41 CD LYS A 3 13.828 -4.643 23.439 1.00 72.35 C ATOM 42 CE LYS A 3 14.924 -3.835 24.150 1.00 12.03 C ATOM 43 NZ LYS A 3 14.685 -3.692 25.617 1.00 1.54 N ATOM 0 HA LYS A 3 10.089 -6.516 22.491 1.00 44.24 H new ATOM 0 HB2 LYS A 3 10.308 -4.669 23.870 1.00 43.24 H new ATOM 0 HB3 LYS A 3 11.411 -5.829 24.584 1.00 43.24 H new ATOM 0 HG2 LYS A 3 12.149 -3.355 22.966 1.00 74.20 H new ATOM 0 HG3 LYS A 3 12.388 -3.605 24.684 1.00 74.20 H new ATOM 0 HD2 LYS A 3 13.889 -5.684 23.757 1.00 72.35 H new ATOM 0 HD3 LYS A 3 14.013 -4.627 22.365 1.00 72.35 H new ATOM 0 HE2 LYS A 3 15.887 -4.320 23.990 1.00 12.03 H new ATOM 0 HE3 LYS A 3 14.987 -2.844 23.700 1.00 12.03 H new ATOM 0 HZ1 LYS A 3 15.591 -3.536 26.103 1.00 1.54 H new ATOM 0 HZ2 LYS A 3 14.056 -2.882 25.789 1.00 1.54 H new ATOM 0 HZ3 LYS A 3 14.241 -4.559 25.982 1.00 1.54 H new ATOM 57 N LYS A 4 12.525 -5.192 20.698 1.00 54.21 N ATOM 58 CA LYS A 4 12.877 -4.447 19.491 1.00 51.02 C ATOM 59 C LYS A 4 12.700 -5.358 18.270 1.00 44.31 C ATOM 60 O LYS A 4 12.428 -4.867 17.197 1.00 11.14 O ATOM 61 CB LYS A 4 14.327 -3.863 19.589 1.00 53.15 C ATOM 62 CG LYS A 4 15.490 -4.861 19.308 1.00 23.51 C ATOM 63 CD LYS A 4 16.057 -4.733 17.860 1.00 61.31 C ATOM 64 CE LYS A 4 16.965 -5.898 17.435 1.00 31.14 C ATOM 65 NZ LYS A 4 18.245 -5.924 18.191 1.00 32.14 N ATOM 0 H LYS A 4 13.327 -5.604 21.174 1.00 54.21 H new ATOM 0 HA LYS A 4 12.210 -3.591 19.383 1.00 51.02 H new ATOM 0 HB2 LYS A 4 14.410 -3.033 18.887 1.00 53.15 H new ATOM 0 HB3 LYS A 4 14.463 -3.450 20.589 1.00 53.15 H new ATOM 0 HG2 LYS A 4 16.293 -4.688 20.025 1.00 23.51 H new ATOM 0 HG3 LYS A 4 15.135 -5.880 19.466 1.00 23.51 H new ATOM 0 HD2 LYS A 4 15.224 -4.662 17.160 1.00 61.31 H new ATOM 0 HD3 LYS A 4 16.619 -3.802 17.782 1.00 61.31 H new ATOM 0 HE2 LYS A 4 16.438 -6.840 17.586 1.00 31.14 H new ATOM 0 HE3 LYS A 4 17.177 -5.819 16.369 1.00 31.14 H new ATOM 0 HZ1 LYS A 4 18.822 -6.727 17.869 1.00 32.14 H new ATOM 0 HZ2 LYS A 4 18.763 -5.037 18.027 1.00 32.14 H new ATOM 0 HZ3 LYS A 4 18.046 -6.026 19.207 1.00 32.14 H new ATOM 79 N LEU A 5 12.843 -6.697 18.463 1.00 15.15 N ATOM 80 CA LEU A 5 12.634 -7.700 17.384 1.00 21.31 C ATOM 81 C LEU A 5 11.226 -7.537 16.787 1.00 23.42 C ATOM 82 O LEU A 5 11.036 -7.518 15.555 1.00 35.11 O ATOM 83 CB LEU A 5 12.775 -9.150 17.932 1.00 51.43 C ATOM 84 CG LEU A 5 12.762 -10.274 16.842 1.00 14.53 C ATOM 85 CD1 LEU A 5 14.102 -10.309 16.089 1.00 70.40 C ATOM 86 CD2 LEU A 5 12.388 -11.659 17.421 1.00 31.33 C ATOM 0 H LEU A 5 13.103 -7.107 19.360 1.00 15.15 H new ATOM 0 HA LEU A 5 13.393 -7.532 16.620 1.00 21.31 H new ATOM 0 HB2 LEU A 5 13.706 -9.221 18.494 1.00 51.43 H new ATOM 0 HB3 LEU A 5 11.963 -9.337 18.635 1.00 51.43 H new ATOM 0 HG LEU A 5 11.977 -10.028 16.127 1.00 14.53 H new ATOM 0 HD11 LEU A 5 14.075 -11.096 15.335 1.00 70.40 H new ATOM 0 HD12 LEU A 5 14.272 -9.348 15.604 1.00 70.40 H new ATOM 0 HD13 LEU A 5 14.910 -10.508 16.793 1.00 70.40 H new ATOM 0 HD21 LEU A 5 12.394 -12.401 16.622 1.00 31.33 H new ATOM 0 HD22 LEU A 5 13.113 -11.942 18.185 1.00 31.33 H new ATOM 0 HD23 LEU A 5 11.393 -11.611 17.864 1.00 31.33 H new ATOM 98 N TYR A 6 10.260 -7.411 17.717 1.00 41.11 N ATOM 99 CA TYR A 6 8.862 -7.096 17.416 1.00 5.42 C ATOM 100 C TYR A 6 8.777 -5.783 16.619 1.00 35.21 C ATOM 101 O TYR A 6 8.205 -5.758 15.537 1.00 14.22 O ATOM 102 CB TYR A 6 8.067 -7.008 18.753 1.00 55.32 C ATOM 103 CG TYR A 6 6.543 -7.136 18.607 1.00 3.22 C ATOM 104 CD1 TYR A 6 5.921 -8.385 18.698 1.00 33.40 C ATOM 105 CD2 TYR A 6 5.730 -6.023 18.368 1.00 72.33 C ATOM 106 CE1 TYR A 6 4.551 -8.520 18.556 1.00 1.10 C ATOM 107 CE2 TYR A 6 4.358 -6.155 18.227 1.00 75.52 C ATOM 108 CZ TYR A 6 3.774 -7.403 18.322 1.00 25.04 C ATOM 109 OH TYR A 6 2.405 -7.531 18.182 1.00 63.44 O ATOM 0 H TYR A 6 10.439 -7.529 18.714 1.00 41.11 H new ATOM 0 HA TYR A 6 8.423 -7.881 16.800 1.00 5.42 H new ATOM 0 HB2 TYR A 6 8.421 -7.793 19.422 1.00 55.32 H new ATOM 0 HB3 TYR A 6 8.293 -6.055 19.232 1.00 55.32 H new ATOM 0 HD1 TYR A 6 6.522 -9.263 18.883 1.00 33.40 H new ATOM 0 HD2 TYR A 6 6.180 -5.044 18.292 1.00 72.33 H new ATOM 0 HE1 TYR A 6 4.092 -9.495 18.628 1.00 1.10 H new ATOM 0 HE2 TYR A 6 3.747 -5.284 18.043 1.00 75.52 H new ATOM 0 HH TYR A 6 2.009 -6.649 18.023 1.00 63.44 H new ATOM 119 N GLU A 7 9.435 -4.738 17.150 1.00 44.14 N ATOM 120 CA GLU A 7 9.458 -3.387 16.561 1.00 44.54 C ATOM 121 C GLU A 7 10.028 -3.368 15.123 1.00 70.01 C ATOM 122 O GLU A 7 9.560 -2.591 14.303 1.00 75.41 O ATOM 123 CB GLU A 7 10.299 -2.443 17.461 1.00 62.14 C ATOM 124 CG GLU A 7 9.660 -2.088 18.818 1.00 32.22 C ATOM 125 CD GLU A 7 8.340 -1.299 18.695 1.00 15.21 C ATOM 126 OE1 GLU A 7 8.368 -0.151 18.200 1.00 44.24 O ATOM 127 OE2 GLU A 7 7.276 -1.811 19.107 1.00 5.43 O ATOM 0 H GLU A 7 9.974 -4.809 18.013 1.00 44.14 H new ATOM 0 HA GLU A 7 8.425 -3.045 16.503 1.00 44.54 H new ATOM 0 HB2 GLU A 7 11.267 -2.909 17.644 1.00 62.14 H new ATOM 0 HB3 GLU A 7 10.488 -1.519 16.914 1.00 62.14 H new ATOM 0 HG2 GLU A 7 9.473 -3.007 19.373 1.00 32.22 H new ATOM 0 HG3 GLU A 7 10.370 -1.502 19.402 1.00 32.22 H new ATOM 134 N GLN A 8 11.049 -4.214 14.842 1.00 61.05 N ATOM 135 CA GLN A 8 11.751 -4.223 13.529 1.00 54.24 C ATOM 136 C GLN A 8 10.821 -4.670 12.395 1.00 50.22 C ATOM 137 O GLN A 8 10.544 -3.876 11.479 1.00 22.00 O ATOM 138 CB GLN A 8 13.033 -5.111 13.540 1.00 51.11 C ATOM 139 CG GLN A 8 14.084 -4.743 14.606 1.00 32.32 C ATOM 140 CD GLN A 8 14.292 -3.230 14.782 1.00 43.05 C ATOM 141 OE1 GLN A 8 15.138 -2.616 14.133 1.00 63.41 O ATOM 142 NE2 GLN A 8 13.505 -2.619 15.664 1.00 34.23 N ATOM 0 H GLN A 8 11.407 -4.901 15.506 1.00 61.05 H new ATOM 0 HA GLN A 8 12.059 -3.193 13.349 1.00 54.24 H new ATOM 0 HB2 GLN A 8 12.734 -6.148 13.692 1.00 51.11 H new ATOM 0 HB3 GLN A 8 13.502 -5.055 12.558 1.00 51.11 H new ATOM 0 HG2 GLN A 8 13.783 -5.172 15.562 1.00 32.32 H new ATOM 0 HG3 GLN A 8 15.036 -5.201 14.337 1.00 32.32 H new ATOM 0 HE21 GLN A 8 12.813 -3.155 16.187 1.00 34.23 H new ATOM 0 HE22 GLN A 8 13.594 -1.614 15.817 1.00 34.23 H new ATOM 151 N ILE A 9 10.341 -5.943 12.449 1.00 5.21 N ATOM 152 CA ILE A 9 9.434 -6.459 11.404 1.00 51.32 C ATOM 153 C ILE A 9 8.099 -5.668 11.388 1.00 3.33 C ATOM 154 O ILE A 9 7.586 -5.371 10.320 1.00 51.20 O ATOM 155 CB ILE A 9 9.094 -7.992 11.533 1.00 34.52 C ATOM 156 CG1 ILE A 9 10.355 -8.874 11.767 1.00 31.32 C ATOM 157 CG2 ILE A 9 8.347 -8.477 10.250 1.00 33.44 C ATOM 158 CD1 ILE A 9 10.023 -10.354 11.895 1.00 72.51 C ATOM 0 H ILE A 9 10.564 -6.610 13.188 1.00 5.21 H new ATOM 0 HA ILE A 9 9.985 -6.323 10.474 1.00 51.32 H new ATOM 0 HB ILE A 9 8.456 -8.104 12.410 1.00 34.52 H new ATOM 0 HG12 ILE A 9 11.051 -8.732 10.940 1.00 31.32 H new ATOM 0 HG13 ILE A 9 10.863 -8.541 12.672 1.00 31.32 H new ATOM 0 HG21 ILE A 9 8.114 -9.538 10.344 1.00 33.44 H new ATOM 0 HG22 ILE A 9 7.423 -7.911 10.131 1.00 33.44 H new ATOM 0 HG23 ILE A 9 8.982 -8.321 9.378 1.00 33.44 H new ATOM 0 HD11 ILE A 9 10.940 -10.920 12.057 1.00 72.51 H new ATOM 0 HD12 ILE A 9 9.350 -10.504 12.739 1.00 72.51 H new ATOM 0 HD13 ILE A 9 9.540 -10.699 10.981 1.00 72.51 H new ATOM 170 N LEU A 10 7.556 -5.332 12.587 1.00 62.31 N ATOM 171 CA LEU A 10 6.243 -4.628 12.720 1.00 2.42 C ATOM 172 C LEU A 10 6.338 -3.188 12.163 1.00 72.22 C ATOM 173 O LEU A 10 5.350 -2.670 11.651 1.00 11.33 O ATOM 174 CB LEU A 10 5.725 -4.655 14.207 1.00 22.51 C ATOM 175 CG LEU A 10 4.166 -4.593 14.477 1.00 55.13 C ATOM 176 CD1 LEU A 10 3.514 -3.248 14.075 1.00 63.53 C ATOM 177 CD2 LEU A 10 3.429 -5.788 13.825 1.00 65.33 C ATOM 0 H LEU A 10 8.005 -5.536 13.480 1.00 62.31 H new ATOM 0 HA LEU A 10 5.506 -5.163 12.122 1.00 2.42 H new ATOM 0 HB2 LEU A 10 6.104 -5.566 14.671 1.00 22.51 H new ATOM 0 HB3 LEU A 10 6.183 -3.816 14.731 1.00 22.51 H new ATOM 0 HG LEU A 10 4.055 -4.667 15.559 1.00 55.13 H new ATOM 0 HD11 LEU A 10 2.446 -3.283 14.290 1.00 63.53 H new ATOM 0 HD12 LEU A 10 3.972 -2.438 14.642 1.00 63.53 H new ATOM 0 HD13 LEU A 10 3.664 -3.075 13.009 1.00 63.53 H new ATOM 0 HD21 LEU A 10 2.361 -5.713 14.031 1.00 65.33 H new ATOM 0 HD22 LEU A 10 3.593 -5.773 12.748 1.00 65.33 H new ATOM 0 HD23 LEU A 10 3.813 -6.721 14.237 1.00 65.33 H new ATOM 189 N ALA A 11 7.533 -2.562 12.236 1.00 75.33 N ATOM 190 CA ALA A 11 7.772 -1.232 11.628 1.00 32.41 C ATOM 191 C ALA A 11 7.542 -1.321 10.113 1.00 53.40 C ATOM 192 O ALA A 11 6.797 -0.523 9.529 1.00 75.22 O ATOM 193 CB ALA A 11 9.193 -0.721 11.932 1.00 44.15 C ATOM 0 H ALA A 11 8.347 -2.955 12.709 1.00 75.33 H new ATOM 0 HA ALA A 11 7.072 -0.518 12.062 1.00 32.41 H new ATOM 0 HB1 ALA A 11 9.334 0.257 11.471 1.00 44.15 H new ATOM 0 HB2 ALA A 11 9.326 -0.637 13.011 1.00 44.15 H new ATOM 0 HB3 ALA A 11 9.925 -1.421 11.530 1.00 44.15 H new ATOM 199 N GLU A 12 8.164 -2.349 9.510 1.00 62.34 N ATOM 200 CA GLU A 12 8.004 -2.661 8.087 1.00 23.45 C ATOM 201 C GLU A 12 6.550 -3.099 7.775 1.00 44.40 C ATOM 202 O GLU A 12 5.984 -2.691 6.777 1.00 10.24 O ATOM 203 CB GLU A 12 8.985 -3.788 7.663 1.00 12.15 C ATOM 204 CG GLU A 12 8.915 -4.160 6.164 1.00 14.30 C ATOM 205 CD GLU A 12 9.635 -3.172 5.237 1.00 43.55 C ATOM 206 OE1 GLU A 12 9.138 -2.055 5.056 1.00 52.31 O ATOM 207 OE2 GLU A 12 10.687 -3.520 4.665 1.00 52.11 O ATOM 0 H GLU A 12 8.792 -2.986 10.000 1.00 62.34 H new ATOM 0 HA GLU A 12 8.228 -1.756 7.522 1.00 23.45 H new ATOM 0 HB2 GLU A 12 10.002 -3.477 7.901 1.00 12.15 H new ATOM 0 HB3 GLU A 12 8.776 -4.678 8.257 1.00 12.15 H new ATOM 0 HG2 GLU A 12 9.347 -5.151 6.026 1.00 14.30 H new ATOM 0 HG3 GLU A 12 7.869 -4.224 5.866 1.00 14.30 H new ATOM 214 N ASN A 13 5.961 -3.890 8.681 1.00 31.30 N ATOM 215 CA ASN A 13 4.657 -4.567 8.483 1.00 15.41 C ATOM 216 C ASN A 13 3.509 -3.537 8.457 1.00 74.21 C ATOM 217 O ASN A 13 2.589 -3.614 7.632 1.00 31.53 O ATOM 218 CB ASN A 13 4.444 -5.591 9.631 1.00 63.54 C ATOM 219 CG ASN A 13 3.285 -6.558 9.397 1.00 1.13 C ATOM 220 OD1 ASN A 13 3.588 -7.732 8.863 1.00 74.02 O flip ATOM 221 ND2 ASN A 13 2.135 -6.262 9.713 1.00 51.24 N flip ATOM 0 H ASN A 13 6.378 -4.086 9.591 1.00 31.30 H new ATOM 0 HA ASN A 13 4.659 -5.087 7.525 1.00 15.41 H new ATOM 0 HB2 ASN A 13 5.361 -6.165 9.766 1.00 63.54 H new ATOM 0 HB3 ASN A 13 4.268 -5.048 10.560 1.00 63.54 H new ATOM 0 HD21 ASN A 13 1.938 -5.349 10.122 1.00 51.24 H new ATOM 0 HD22 ASN A 13 1.378 -6.930 9.566 1.00 51.24 H new ATOM 228 N GLU A 14 3.611 -2.555 9.363 1.00 70.42 N ATOM 229 CA GLU A 14 2.640 -1.456 9.486 1.00 41.01 C ATOM 230 C GLU A 14 2.860 -0.457 8.338 1.00 51.33 C ATOM 231 O GLU A 14 1.918 0.211 7.889 1.00 4.41 O ATOM 232 CB GLU A 14 2.788 -0.751 10.871 1.00 2.03 C ATOM 233 CG GLU A 14 3.780 0.435 10.895 1.00 1.30 C ATOM 234 CD GLU A 14 4.169 0.907 12.300 1.00 53.05 C ATOM 235 OE1 GLU A 14 3.271 1.152 13.127 1.00 24.51 O ATOM 236 OE2 GLU A 14 5.370 1.079 12.566 1.00 13.24 O ATOM 0 H GLU A 14 4.375 -2.499 10.037 1.00 70.42 H new ATOM 0 HA GLU A 14 1.628 -1.856 9.422 1.00 41.01 H new ATOM 0 HB2 GLU A 14 1.808 -0.393 11.186 1.00 2.03 H new ATOM 0 HB3 GLU A 14 3.109 -1.489 11.606 1.00 2.03 H new ATOM 0 HG2 GLU A 14 4.684 0.147 10.358 1.00 1.30 H new ATOM 0 HG3 GLU A 14 3.340 1.272 10.353 1.00 1.30 H new ATOM 243 N LYS A 15 4.140 -0.360 7.884 1.00 2.23 N ATOM 244 CA LYS A 15 4.504 0.453 6.725 1.00 45.34 C ATOM 245 C LYS A 15 3.804 -0.126 5.484 1.00 62.15 C ATOM 246 O LYS A 15 3.246 0.613 4.682 1.00 73.14 O ATOM 247 CB LYS A 15 6.046 0.482 6.485 1.00 32.44 C ATOM 248 CG LYS A 15 6.512 1.468 5.366 1.00 15.12 C ATOM 249 CD LYS A 15 7.617 0.905 4.437 1.00 73.13 C ATOM 250 CE LYS A 15 7.082 -0.149 3.454 1.00 24.31 C ATOM 251 NZ LYS A 15 8.182 -0.753 2.653 1.00 3.21 N ATOM 0 H LYS A 15 4.928 -0.843 8.316 1.00 2.23 H new ATOM 0 HA LYS A 15 4.186 1.478 6.913 1.00 45.34 H new ATOM 0 HB2 LYS A 15 6.541 0.752 7.418 1.00 32.44 H new ATOM 0 HB3 LYS A 15 6.379 -0.523 6.227 1.00 32.44 H new ATOM 0 HG2 LYS A 15 5.650 1.744 4.759 1.00 15.12 H new ATOM 0 HG3 LYS A 15 6.878 2.382 5.833 1.00 15.12 H new ATOM 0 HD2 LYS A 15 8.067 1.724 3.876 1.00 73.13 H new ATOM 0 HD3 LYS A 15 8.407 0.463 5.044 1.00 73.13 H new ATOM 0 HE2 LYS A 15 6.560 -0.931 4.005 1.00 24.31 H new ATOM 0 HE3 LYS A 15 6.354 0.311 2.786 1.00 24.31 H new ATOM 0 HZ1 LYS A 15 7.778 -1.344 1.899 1.00 3.21 H new ATOM 0 HZ2 LYS A 15 8.758 0.002 2.230 1.00 3.21 H new ATOM 0 HZ3 LYS A 15 8.779 -1.340 3.270 1.00 3.21 H new ATOM 265 N LEU A 16 3.805 -1.485 5.400 1.00 64.45 N ATOM 266 CA LEU A 16 3.186 -2.249 4.299 1.00 52.30 C ATOM 267 C LEU A 16 1.654 -2.100 4.317 1.00 0.44 C ATOM 268 O LEU A 16 1.009 -2.147 3.269 1.00 24.03 O ATOM 269 CB LEU A 16 3.590 -3.747 4.348 1.00 43.34 C ATOM 270 CG LEU A 16 5.106 -4.052 4.175 1.00 13.33 C ATOM 271 CD1 LEU A 16 5.406 -5.547 4.394 1.00 71.44 C ATOM 272 CD2 LEU A 16 5.647 -3.558 2.822 1.00 41.11 C ATOM 0 H LEU A 16 4.242 -2.079 6.105 1.00 64.45 H new ATOM 0 HA LEU A 16 3.560 -1.833 3.363 1.00 52.30 H new ATOM 0 HB2 LEU A 16 3.264 -4.160 5.303 1.00 43.34 H new ATOM 0 HB3 LEU A 16 3.042 -4.276 3.568 1.00 43.34 H new ATOM 0 HG LEU A 16 5.634 -3.493 4.947 1.00 13.33 H new ATOM 0 HD11 LEU A 16 6.473 -5.726 4.266 1.00 71.44 H new ATOM 0 HD12 LEU A 16 5.108 -5.834 5.403 1.00 71.44 H new ATOM 0 HD13 LEU A 16 4.849 -6.140 3.669 1.00 71.44 H new ATOM 0 HD21 LEU A 16 6.709 -3.793 2.747 1.00 41.11 H new ATOM 0 HD22 LEU A 16 5.108 -4.051 2.013 1.00 41.11 H new ATOM 0 HD23 LEU A 16 5.508 -2.480 2.746 1.00 41.11 H new ATOM 284 N LYS A 17 1.094 -1.921 5.524 1.00 24.23 N ATOM 285 CA LYS A 17 -0.336 -1.624 5.720 1.00 20.30 C ATOM 286 C LYS A 17 -0.678 -0.214 5.165 1.00 31.44 C ATOM 287 O LYS A 17 -1.722 -0.007 4.531 1.00 12.34 O ATOM 288 CB LYS A 17 -0.693 -1.735 7.238 1.00 3.30 C ATOM 289 CG LYS A 17 -2.146 -2.167 7.544 1.00 52.13 C ATOM 290 CD LYS A 17 -2.462 -3.598 7.045 1.00 61.42 C ATOM 291 CE LYS A 17 -1.504 -4.661 7.607 1.00 72.15 C ATOM 292 NZ LYS A 17 -1.579 -4.765 9.086 1.00 35.23 N ATOM 0 H LYS A 17 1.621 -1.978 6.395 1.00 24.23 H new ATOM 0 HA LYS A 17 -0.933 -2.351 5.170 1.00 20.30 H new ATOM 0 HB2 LYS A 17 -0.013 -2.449 7.703 1.00 3.30 H new ATOM 0 HB3 LYS A 17 -0.512 -0.769 7.709 1.00 3.30 H new ATOM 0 HG2 LYS A 17 -2.317 -2.116 8.619 1.00 52.13 H new ATOM 0 HG3 LYS A 17 -2.836 -1.463 7.078 1.00 52.13 H new ATOM 0 HD2 LYS A 17 -3.484 -3.856 7.324 1.00 61.42 H new ATOM 0 HD3 LYS A 17 -2.415 -3.615 5.956 1.00 61.42 H new ATOM 0 HE2 LYS A 17 -1.740 -5.629 7.165 1.00 72.15 H new ATOM 0 HE3 LYS A 17 -0.483 -4.417 7.314 1.00 72.15 H new ATOM 0 HZ1 LYS A 17 -0.915 -5.494 9.417 1.00 35.23 H new ATOM 0 HZ2 LYS A 17 -1.328 -3.850 9.512 1.00 35.23 H new ATOM 0 HZ3 LYS A 17 -2.546 -5.024 9.367 1.00 35.23 H new ATOM 306 N ALA A 18 0.254 0.726 5.373 1.00 72.02 N ATOM 307 CA ALA A 18 0.077 2.148 5.019 1.00 11.53 C ATOM 308 C ALA A 18 0.184 2.371 3.492 1.00 24.02 C ATOM 309 O ALA A 18 -0.652 3.059 2.890 1.00 30.10 O ATOM 310 CB ALA A 18 1.123 2.987 5.779 1.00 33.13 C ATOM 0 H ALA A 18 1.160 0.523 5.795 1.00 72.02 H new ATOM 0 HA ALA A 18 -0.924 2.465 5.312 1.00 11.53 H new ATOM 0 HB1 ALA A 18 1.000 4.040 5.524 1.00 33.13 H new ATOM 0 HB2 ALA A 18 0.985 2.855 6.852 1.00 33.13 H new ATOM 0 HB3 ALA A 18 2.125 2.660 5.499 1.00 33.13 H new ATOM 316 N GLN A 19 1.220 1.767 2.878 1.00 74.33 N ATOM 317 CA GLN A 19 1.496 1.880 1.431 1.00 11.34 C ATOM 318 C GLN A 19 0.518 1.054 0.592 1.00 41.50 C ATOM 319 O GLN A 19 0.296 1.384 -0.574 1.00 72.13 O ATOM 320 CB GLN A 19 2.957 1.455 1.138 1.00 71.32 C ATOM 321 CG GLN A 19 3.352 0.065 1.697 1.00 64.53 C ATOM 322 CD GLN A 19 3.327 -1.097 0.704 1.00 21.42 C ATOM 323 OE1 GLN A 19 2.255 -1.891 0.716 1.00 1.31 O flip ATOM 324 NE2 GLN A 19 4.301 -1.332 -0.014 1.00 33.24 N flip ATOM 0 H GLN A 19 1.893 1.183 3.374 1.00 74.33 H new ATOM 0 HA GLN A 19 1.359 2.923 1.147 1.00 11.34 H new ATOM 0 HB2 GLN A 19 3.111 1.455 0.059 1.00 71.32 H new ATOM 0 HB3 GLN A 19 3.630 2.204 1.556 1.00 71.32 H new ATOM 0 HG2 GLN A 19 4.356 0.137 2.114 1.00 64.53 H new ATOM 0 HG3 GLN A 19 2.681 -0.175 2.522 1.00 64.53 H new ATOM 0 HE21 GLN A 19 5.107 -0.706 -0.002 1.00 33.24 H new ATOM 0 HE22 GLN A 19 4.301 -2.152 -0.621 1.00 33.24 H new ATOM 333 N LEU A 20 -0.025 -0.054 1.164 1.00 52.13 N ATOM 334 CA LEU A 20 -1.086 -0.824 0.468 1.00 11.14 C ATOM 335 C LEU A 20 -2.326 0.050 0.374 1.00 10.43 C ATOM 336 O LEU A 20 -2.930 0.132 -0.678 1.00 63.12 O ATOM 337 CB LEU A 20 -1.395 -2.222 1.126 1.00 32.35 C ATOM 338 CG LEU A 20 -2.404 -2.337 2.348 1.00 13.23 C ATOM 339 CD1 LEU A 20 -3.894 -2.374 1.918 1.00 0.44 C ATOM 340 CD2 LEU A 20 -2.097 -3.569 3.223 1.00 21.41 C ATOM 0 H LEU A 20 0.245 -0.423 2.076 1.00 52.13 H new ATOM 0 HA LEU A 20 -0.726 -1.074 -0.530 1.00 11.14 H new ATOM 0 HB2 LEU A 20 -1.772 -2.872 0.336 1.00 32.35 H new ATOM 0 HB3 LEU A 20 -0.443 -2.639 1.455 1.00 32.35 H new ATOM 0 HG LEU A 20 -2.251 -1.427 2.928 1.00 13.23 H new ATOM 0 HD11 LEU A 20 -4.526 -2.453 2.802 1.00 0.44 H new ATOM 0 HD12 LEU A 20 -4.139 -1.460 1.377 1.00 0.44 H new ATOM 0 HD13 LEU A 20 -4.065 -3.235 1.272 1.00 0.44 H new ATOM 0 HD21 LEU A 20 -2.807 -3.615 4.049 1.00 21.41 H new ATOM 0 HD22 LEU A 20 -2.182 -4.473 2.621 1.00 21.41 H new ATOM 0 HD23 LEU A 20 -1.085 -3.491 3.619 1.00 21.41 H new ATOM 352 N HIS A 21 -2.673 0.721 1.495 1.00 24.22 N ATOM 353 CA HIS A 21 -3.855 1.595 1.565 1.00 11.33 C ATOM 354 C HIS A 21 -3.737 2.742 0.545 1.00 44.51 C ATOM 355 O HIS A 21 -4.704 3.063 -0.149 1.00 55.34 O ATOM 356 CB HIS A 21 -4.047 2.144 3.005 1.00 70.11 C ATOM 357 CG HIS A 21 -5.292 2.981 3.175 1.00 32.32 C ATOM 358 ND1 HIS A 21 -6.547 2.440 3.375 1.00 51.31 N ATOM 359 CD2 HIS A 21 -5.473 4.324 3.157 1.00 15.02 C ATOM 360 CE1 HIS A 21 -7.432 3.413 3.470 1.00 32.13 C ATOM 361 NE2 HIS A 21 -6.806 4.560 3.340 1.00 31.43 N ATOM 0 H HIS A 21 -2.145 0.670 2.366 1.00 24.22 H new ATOM 0 HA HIS A 21 -4.737 1.006 1.312 1.00 11.33 H new ATOM 0 HB2 HIS A 21 -4.085 1.306 3.701 1.00 70.11 H new ATOM 0 HB3 HIS A 21 -3.177 2.743 3.275 1.00 70.11 H new ATOM 0 HD2 HIS A 21 -4.704 5.071 3.023 1.00 15.02 H new ATOM 0 HE1 HIS A 21 -8.493 3.288 3.628 1.00 32.13 H new ATOM 0 HE2 HIS A 21 -7.245 5.480 3.371 1.00 31.43 H new ATOM 370 N ASP A 22 -2.521 3.313 0.453 1.00 50.05 N ATOM 371 CA ASP A 22 -2.182 4.373 -0.513 1.00 64.12 C ATOM 372 C ASP A 22 -2.407 3.880 -1.957 1.00 4.44 C ATOM 373 O ASP A 22 -3.159 4.498 -2.711 1.00 73.01 O ATOM 374 CB ASP A 22 -0.706 4.815 -0.316 1.00 4.24 C ATOM 375 CG ASP A 22 -0.266 5.931 -1.292 1.00 64.34 C ATOM 376 OD1 ASP A 22 0.360 5.627 -2.336 1.00 3.35 O ATOM 377 OD2 ASP A 22 -0.525 7.122 -1.008 1.00 52.45 O ATOM 0 H ASP A 22 -1.740 3.048 1.053 1.00 50.05 H new ATOM 0 HA ASP A 22 -2.834 5.229 -0.338 1.00 64.12 H new ATOM 0 HB2 ASP A 22 -0.572 5.164 0.708 1.00 4.24 H new ATOM 0 HB3 ASP A 22 -0.055 3.951 -0.446 1.00 4.24 H new ATOM 382 N THR A 23 -1.790 2.723 -2.287 1.00 14.02 N ATOM 383 CA THR A 23 -1.811 2.144 -3.645 1.00 73.22 C ATOM 384 C THR A 23 -3.222 1.621 -4.015 1.00 4.21 C ATOM 385 O THR A 23 -3.597 1.662 -5.179 1.00 52.42 O ATOM 386 CB THR A 23 -0.742 1.002 -3.801 1.00 0.12 C ATOM 387 OG1 THR A 23 0.535 1.480 -3.355 1.00 24.14 O ATOM 388 CG2 THR A 23 -0.593 0.517 -5.257 1.00 52.42 C ATOM 0 H THR A 23 -1.263 2.165 -1.616 1.00 14.02 H new ATOM 0 HA THR A 23 -1.553 2.945 -4.338 1.00 73.22 H new ATOM 0 HB THR A 23 -1.088 0.162 -3.199 1.00 0.12 H new ATOM 0 HG1 THR A 23 0.557 1.488 -2.375 1.00 24.14 H new ATOM 0 HG21 THR A 23 0.158 -0.271 -5.303 1.00 52.42 H new ATOM 0 HG22 THR A 23 -1.548 0.129 -5.611 1.00 52.42 H new ATOM 0 HG23 THR A 23 -0.284 1.350 -5.888 1.00 52.42 H new ATOM 396 N ASN A 24 -4.004 1.165 -3.009 1.00 21.33 N ATOM 397 CA ASN A 24 -5.374 0.636 -3.226 1.00 33.12 C ATOM 398 C ASN A 24 -6.316 1.780 -3.609 1.00 73.42 C ATOM 399 O ASN A 24 -7.016 1.703 -4.621 1.00 51.45 O ATOM 400 CB ASN A 24 -5.937 -0.113 -1.962 1.00 52.55 C ATOM 401 CG ASN A 24 -5.451 -1.568 -1.783 1.00 65.22 C ATOM 402 OD1 ASN A 24 -4.183 -1.851 -2.059 1.00 41.33 O flip ATOM 403 ND2 ASN A 24 -6.214 -2.432 -1.355 1.00 24.13 N flip ATOM 0 H ASN A 24 -3.708 1.152 -2.033 1.00 21.33 H new ATOM 0 HA ASN A 24 -5.316 -0.091 -4.036 1.00 33.12 H new ATOM 0 HB2 ASN A 24 -5.664 0.455 -1.073 1.00 52.55 H new ATOM 0 HB3 ASN A 24 -7.026 -0.116 -2.017 1.00 52.55 H new ATOM 0 HD21 ASN A 24 -7.185 -2.198 -1.148 1.00 24.13 H new ATOM 0 HD22 ASN A 24 -5.876 -3.383 -1.207 1.00 24.13 H new ATOM 410 N MET A 25 -6.304 2.846 -2.792 1.00 0.23 N ATOM 411 CA MET A 25 -7.204 3.995 -2.957 1.00 32.43 C ATOM 412 C MET A 25 -6.855 4.830 -4.197 1.00 51.14 C ATOM 413 O MET A 25 -7.764 5.261 -4.919 1.00 40.21 O ATOM 414 CB MET A 25 -7.182 4.858 -1.677 1.00 30.41 C ATOM 415 CG MET A 25 -7.644 4.123 -0.402 1.00 55.11 C ATOM 416 SD MET A 25 -9.435 3.829 -0.305 1.00 4.11 S ATOM 417 CE MET A 25 -9.667 2.278 -1.195 1.00 71.51 C ATOM 0 H MET A 25 -5.669 2.934 -1.999 1.00 0.23 H new ATOM 0 HA MET A 25 -8.214 3.616 -3.115 1.00 32.43 H new ATOM 0 HB2 MET A 25 -6.169 5.228 -1.521 1.00 30.41 H new ATOM 0 HB3 MET A 25 -7.819 5.729 -1.830 1.00 30.41 H new ATOM 0 HG2 MET A 25 -7.128 3.165 -0.344 1.00 55.11 H new ATOM 0 HG3 MET A 25 -7.337 4.704 0.468 1.00 55.11 H new ATOM 0 HE1 MET A 25 -10.362 2.433 -2.020 1.00 71.51 H new ATOM 0 HE2 MET A 25 -8.709 1.936 -1.586 1.00 71.51 H new ATOM 0 HE3 MET A 25 -10.071 1.526 -0.517 1.00 71.51 H new ATOM 427 N GLU A 26 -5.545 5.049 -4.458 1.00 63.50 N ATOM 428 CA GLU A 26 -5.107 5.812 -5.647 1.00 14.24 C ATOM 429 C GLU A 26 -5.449 5.038 -6.929 1.00 72.22 C ATOM 430 O GLU A 26 -5.770 5.647 -7.948 1.00 30.32 O ATOM 431 CB GLU A 26 -3.591 6.146 -5.619 1.00 21.24 C ATOM 432 CG GLU A 26 -2.634 4.939 -5.847 1.00 31.33 C ATOM 433 CD GLU A 26 -1.384 5.288 -6.663 1.00 34.12 C ATOM 434 OE1 GLU A 26 -1.543 5.786 -7.802 1.00 23.12 O ATOM 435 OE2 GLU A 26 -0.254 5.067 -6.182 1.00 13.33 O ATOM 0 H GLU A 26 -4.783 4.713 -3.869 1.00 63.50 H new ATOM 0 HA GLU A 26 -5.646 6.759 -5.632 1.00 14.24 H new ATOM 0 HB2 GLU A 26 -3.388 6.897 -6.382 1.00 21.24 H new ATOM 0 HB3 GLU A 26 -3.354 6.598 -4.656 1.00 21.24 H new ATOM 0 HG2 GLU A 26 -2.326 4.543 -4.879 1.00 31.33 H new ATOM 0 HG3 GLU A 26 -3.180 4.145 -6.357 1.00 31.33 H new ATOM 442 N LEU A 27 -5.351 3.682 -6.852 1.00 13.24 N ATOM 443 CA LEU A 27 -5.785 2.777 -7.919 1.00 52.21 C ATOM 444 C LEU A 27 -7.288 2.958 -8.169 1.00 74.01 C ATOM 445 O LEU A 27 -7.683 3.124 -9.304 1.00 2.44 O ATOM 446 CB LEU A 27 -5.412 1.317 -7.516 1.00 1.45 C ATOM 447 CG LEU A 27 -5.628 0.140 -8.538 1.00 10.42 C ATOM 448 CD1 LEU A 27 -4.748 -1.066 -8.150 1.00 24.12 C ATOM 449 CD2 LEU A 27 -7.105 -0.311 -8.651 1.00 14.43 C ATOM 0 H LEU A 27 -4.966 3.199 -6.040 1.00 13.24 H new ATOM 0 HA LEU A 27 -5.279 3.005 -8.857 1.00 52.21 H new ATOM 0 HB2 LEU A 27 -4.358 1.316 -7.239 1.00 1.45 H new ATOM 0 HB3 LEU A 27 -5.978 1.074 -6.617 1.00 1.45 H new ATOM 0 HG LEU A 27 -5.337 0.524 -9.516 1.00 10.42 H new ATOM 0 HD11 LEU A 27 -4.905 -1.875 -8.863 1.00 24.12 H new ATOM 0 HD12 LEU A 27 -3.699 -0.770 -8.162 1.00 24.12 H new ATOM 0 HD13 LEU A 27 -5.018 -1.406 -7.150 1.00 24.12 H new ATOM 0 HD21 LEU A 27 -7.183 -1.125 -9.372 1.00 14.43 H new ATOM 0 HD22 LEU A 27 -7.456 -0.654 -7.678 1.00 14.43 H new ATOM 0 HD23 LEU A 27 -7.717 0.528 -8.983 1.00 14.43 H new ATOM 461 N THR A 28 -8.100 2.966 -7.078 1.00 14.20 N ATOM 462 CA THR A 28 -9.582 3.076 -7.145 1.00 24.34 C ATOM 463 C THR A 28 -10.010 4.341 -7.928 1.00 72.22 C ATOM 464 O THR A 28 -10.846 4.267 -8.838 1.00 73.04 O ATOM 465 CB THR A 28 -10.209 3.095 -5.703 1.00 13.33 C ATOM 466 OG1 THR A 28 -9.814 1.912 -4.985 1.00 12.43 O ATOM 467 CG2 THR A 28 -11.753 3.188 -5.714 1.00 23.12 C ATOM 0 H THR A 28 -7.744 2.896 -6.125 1.00 14.20 H new ATOM 0 HA THR A 28 -9.955 2.199 -7.675 1.00 24.34 H new ATOM 0 HB THR A 28 -9.833 3.992 -5.210 1.00 13.33 H new ATOM 0 HG1 THR A 28 -8.843 1.919 -4.851 1.00 12.43 H new ATOM 0 HG21 THR A 28 -12.124 3.197 -4.689 1.00 23.12 H new ATOM 0 HG22 THR A 28 -12.059 4.104 -6.219 1.00 23.12 H new ATOM 0 HG23 THR A 28 -12.166 2.328 -6.242 1.00 23.12 H new ATOM 475 N ASP A 29 -9.374 5.475 -7.574 1.00 31.44 N ATOM 476 CA ASP A 29 -9.577 6.786 -8.232 1.00 54.42 C ATOM 477 C ASP A 29 -9.173 6.722 -9.717 1.00 15.14 C ATOM 478 O ASP A 29 -9.935 7.128 -10.612 1.00 63.24 O ATOM 479 CB ASP A 29 -8.730 7.878 -7.502 1.00 2.13 C ATOM 480 CG ASP A 29 -8.724 9.242 -8.233 1.00 74.30 C ATOM 481 OD1 ASP A 29 -9.676 10.031 -8.049 1.00 54.40 O ATOM 482 OD2 ASP A 29 -7.761 9.533 -8.989 1.00 62.53 O ATOM 0 H ASP A 29 -8.695 5.509 -6.813 1.00 31.44 H new ATOM 0 HA ASP A 29 -10.635 7.042 -8.173 1.00 54.42 H new ATOM 0 HB2 ASP A 29 -9.120 8.016 -6.494 1.00 2.13 H new ATOM 0 HB3 ASP A 29 -7.704 7.524 -7.401 1.00 2.13 H new ATOM 487 N LEU A 30 -7.969 6.177 -9.948 1.00 74.45 N ATOM 488 CA LEU A 30 -7.304 6.206 -11.256 1.00 41.23 C ATOM 489 C LEU A 30 -8.036 5.281 -12.269 1.00 43.15 C ATOM 490 O LEU A 30 -8.157 5.631 -13.448 1.00 11.33 O ATOM 491 CB LEU A 30 -5.794 5.839 -11.072 1.00 32.35 C ATOM 492 CG LEU A 30 -4.816 6.199 -12.238 1.00 5.30 C ATOM 493 CD1 LEU A 30 -4.772 7.727 -12.482 1.00 42.04 C ATOM 494 CD2 LEU A 30 -3.394 5.633 -11.977 1.00 61.55 C ATOM 0 H LEU A 30 -7.427 5.701 -9.227 1.00 74.45 H new ATOM 0 HA LEU A 30 -7.353 7.210 -11.678 1.00 41.23 H new ATOM 0 HB2 LEU A 30 -5.436 6.332 -10.168 1.00 32.35 H new ATOM 0 HB3 LEU A 30 -5.728 4.765 -10.897 1.00 32.35 H new ATOM 0 HG LEU A 30 -5.198 5.729 -13.144 1.00 5.30 H new ATOM 0 HD11 LEU A 30 -4.084 7.945 -13.298 1.00 42.04 H new ATOM 0 HD12 LEU A 30 -5.769 8.083 -12.743 1.00 42.04 H new ATOM 0 HD13 LEU A 30 -4.433 8.230 -11.577 1.00 42.04 H new ATOM 0 HD21 LEU A 30 -2.738 5.900 -12.806 1.00 61.55 H new ATOM 0 HD22 LEU A 30 -2.999 6.053 -11.052 1.00 61.55 H new ATOM 0 HD23 LEU A 30 -3.445 4.548 -11.890 1.00 61.55 H new ATOM 506 N LYS A 31 -8.562 4.124 -11.790 1.00 55.01 N ATOM 507 CA LYS A 31 -9.273 3.131 -12.650 1.00 10.35 C ATOM 508 C LYS A 31 -10.710 3.565 -12.918 1.00 0.52 C ATOM 509 O LYS A 31 -11.283 3.238 -13.973 1.00 41.50 O ATOM 510 CB LYS A 31 -9.198 1.672 -12.071 1.00 4.30 C ATOM 511 CG LYS A 31 -9.806 1.412 -10.660 1.00 10.54 C ATOM 512 CD LYS A 31 -11.343 1.192 -10.588 1.00 72.40 C ATOM 513 CE LYS A 31 -11.834 -0.102 -11.276 1.00 34.52 C ATOM 514 NZ LYS A 31 -11.824 -0.019 -12.765 1.00 74.40 N ATOM 0 H LYS A 31 -8.509 3.851 -10.809 1.00 55.01 H new ATOM 0 HA LYS A 31 -8.752 3.105 -13.607 1.00 10.35 H new ATOM 0 HB2 LYS A 31 -9.696 1.007 -12.777 1.00 4.30 H new ATOM 0 HB3 LYS A 31 -8.149 1.378 -12.042 1.00 4.30 H new ATOM 0 HG2 LYS A 31 -9.317 0.535 -10.236 1.00 10.54 H new ATOM 0 HG3 LYS A 31 -9.554 2.258 -10.020 1.00 10.54 H new ATOM 0 HD2 LYS A 31 -11.646 1.170 -9.541 1.00 72.40 H new ATOM 0 HD3 LYS A 31 -11.842 2.045 -11.047 1.00 72.40 H new ATOM 0 HE2 LYS A 31 -11.204 -0.934 -10.961 1.00 34.52 H new ATOM 0 HE3 LYS A 31 -12.846 -0.323 -10.938 1.00 34.52 H new ATOM 0 HZ1 LYS A 31 -12.698 -0.437 -13.142 1.00 74.40 H new ATOM 0 HZ2 LYS A 31 -11.763 0.977 -13.057 1.00 74.40 H new ATOM 0 HZ3 LYS A 31 -11.003 -0.539 -13.136 1.00 74.40 H new ATOM 528 N LEU A 32 -11.279 4.299 -11.942 1.00 14.21 N ATOM 529 CA LEU A 32 -12.612 4.894 -12.048 1.00 23.21 C ATOM 530 C LEU A 32 -12.668 5.793 -13.286 1.00 41.34 C ATOM 531 O LEU A 32 -13.364 5.482 -14.257 1.00 63.33 O ATOM 532 CB LEU A 32 -12.929 5.697 -10.749 1.00 22.23 C ATOM 533 CG LEU A 32 -14.323 6.390 -10.660 1.00 33.01 C ATOM 534 CD1 LEU A 32 -15.470 5.362 -10.625 1.00 10.44 C ATOM 535 CD2 LEU A 32 -14.383 7.362 -9.454 1.00 72.33 C ATOM 0 H LEU A 32 -10.817 4.493 -11.054 1.00 14.21 H new ATOM 0 HA LEU A 32 -13.365 4.113 -12.156 1.00 23.21 H new ATOM 0 HB2 LEU A 32 -12.835 5.018 -9.901 1.00 22.23 H new ATOM 0 HB3 LEU A 32 -12.163 6.463 -10.631 1.00 22.23 H new ATOM 0 HG LEU A 32 -14.458 6.981 -11.566 1.00 33.01 H new ATOM 0 HD11 LEU A 32 -16.425 5.884 -10.563 1.00 10.44 H new ATOM 0 HD12 LEU A 32 -15.445 4.758 -11.532 1.00 10.44 H new ATOM 0 HD13 LEU A 32 -15.353 4.716 -9.755 1.00 10.44 H new ATOM 0 HD21 LEU A 32 -15.365 7.832 -9.414 1.00 72.33 H new ATOM 0 HD22 LEU A 32 -14.208 6.808 -8.531 1.00 72.33 H new ATOM 0 HD23 LEU A 32 -13.618 8.130 -9.567 1.00 72.33 H new ATOM 547 N GLN A 33 -11.840 6.847 -13.273 1.00 52.32 N ATOM 548 CA GLN A 33 -11.774 7.830 -14.362 1.00 61.13 C ATOM 549 C GLN A 33 -11.275 7.186 -15.681 1.00 13.51 C ATOM 550 O GLN A 33 -11.718 7.597 -16.764 1.00 34.24 O ATOM 551 CB GLN A 33 -10.890 9.029 -13.933 1.00 12.15 C ATOM 552 CG GLN A 33 -9.404 8.701 -13.669 1.00 64.12 C ATOM 553 CD GLN A 33 -8.632 9.850 -13.021 1.00 2.10 C ATOM 554 OE1 GLN A 33 -7.601 9.527 -12.259 1.00 4.23 O flip ATOM 555 NE2 GLN A 33 -8.951 11.026 -13.216 1.00 4.42 N flip ATOM 0 H GLN A 33 -11.197 7.042 -12.506 1.00 52.32 H new ATOM 0 HA GLN A 33 -12.780 8.200 -14.561 1.00 61.13 H new ATOM 0 HB2 GLN A 33 -10.943 9.792 -14.709 1.00 12.15 H new ATOM 0 HB3 GLN A 33 -11.314 9.465 -13.028 1.00 12.15 H new ATOM 0 HG2 GLN A 33 -9.343 7.824 -13.025 1.00 64.12 H new ATOM 0 HG3 GLN A 33 -8.925 8.438 -14.612 1.00 64.12 H new ATOM 0 HE21 GLN A 33 -9.751 11.246 -13.809 1.00 4.42 H new ATOM 0 HE22 GLN A 33 -8.414 11.778 -12.784 1.00 4.42 H new ATOM 564 N LEU A 34 -10.381 6.158 -15.560 1.00 21.44 N ATOM 565 CA LEU A 34 -9.823 5.393 -16.716 1.00 20.14 C ATOM 566 C LEU A 34 -10.953 4.985 -17.656 1.00 71.30 C ATOM 567 O LEU A 34 -11.057 5.538 -18.756 1.00 72.02 O ATOM 568 CB LEU A 34 -9.065 4.102 -16.231 1.00 11.32 C ATOM 569 CG LEU A 34 -8.028 3.369 -17.191 1.00 53.40 C ATOM 570 CD1 LEU A 34 -7.871 1.879 -16.798 1.00 74.32 C ATOM 571 CD2 LEU A 34 -8.328 3.501 -18.706 1.00 64.52 C ATOM 0 H LEU A 34 -10.028 5.838 -14.658 1.00 21.44 H new ATOM 0 HA LEU A 34 -9.115 6.038 -17.237 1.00 20.14 H new ATOM 0 HB2 LEU A 34 -8.529 4.366 -15.319 1.00 11.32 H new ATOM 0 HB3 LEU A 34 -9.822 3.368 -15.954 1.00 11.32 H new ATOM 0 HG LEU A 34 -7.086 3.896 -17.038 1.00 53.40 H new ATOM 0 HD11 LEU A 34 -7.158 1.399 -17.468 1.00 74.32 H new ATOM 0 HD12 LEU A 34 -7.509 1.809 -15.772 1.00 74.32 H new ATOM 0 HD13 LEU A 34 -8.836 1.378 -16.877 1.00 74.32 H new ATOM 0 HD21 LEU A 34 -7.566 2.969 -19.275 1.00 64.52 H new ATOM 0 HD22 LEU A 34 -9.307 3.073 -18.922 1.00 64.52 H new ATOM 0 HD23 LEU A 34 -8.322 4.554 -18.988 1.00 64.52 H new ATOM 774 N PHE B 102 9.761 -16.310 21.831 1.00 4.34 N ATOM 775 CA PHE B 102 9.628 -15.146 20.918 1.00 53.20 C ATOM 776 C PHE B 102 9.961 -15.480 19.434 1.00 21.10 C ATOM 777 O PHE B 102 9.812 -14.616 18.541 1.00 21.55 O ATOM 778 CB PHE B 102 10.542 -14.022 21.420 1.00 33.13 C ATOM 779 CG PHE B 102 10.226 -13.516 22.831 1.00 44.14 C ATOM 780 CD1 PHE B 102 10.778 -14.129 23.955 1.00 71.43 C ATOM 781 CD2 PHE B 102 9.403 -12.408 23.027 1.00 55.23 C ATOM 782 CE1 PHE B 102 10.520 -13.644 25.222 1.00 42.33 C ATOM 783 CE2 PHE B 102 9.143 -11.928 24.288 1.00 54.25 C ATOM 784 CZ PHE B 102 9.704 -12.544 25.389 1.00 14.52 C ATOM 0 HA PHE B 102 8.583 -14.838 20.931 1.00 53.20 H new ATOM 0 HB2 PHE B 102 11.573 -14.375 21.399 1.00 33.13 H new ATOM 0 HB3 PHE B 102 10.478 -13.184 20.726 1.00 33.13 H new ATOM 0 HD1 PHE B 102 11.415 -14.993 23.833 1.00 71.43 H new ATOM 0 HD2 PHE B 102 8.962 -11.918 22.172 1.00 55.23 H new ATOM 0 HE1 PHE B 102 10.958 -14.126 26.083 1.00 42.33 H new ATOM 0 HE2 PHE B 102 8.500 -11.070 24.418 1.00 54.25 H new ATOM 0 HZ PHE B 102 9.504 -12.165 26.380 1.00 14.52 H new ATOM 794 N LYS B 103 10.378 -16.731 19.170 1.00 34.44 N ATOM 795 CA LYS B 103 10.660 -17.218 17.803 1.00 43.11 C ATOM 796 C LYS B 103 9.384 -17.122 16.940 1.00 2.44 C ATOM 797 O LYS B 103 9.439 -16.836 15.746 1.00 52.41 O ATOM 798 CB LYS B 103 11.239 -18.679 17.847 1.00 61.02 C ATOM 799 CG LYS B 103 10.243 -19.876 18.015 1.00 70.53 C ATOM 800 CD LYS B 103 9.239 -19.761 19.199 1.00 3.11 C ATOM 801 CE LYS B 103 8.779 -21.124 19.736 1.00 44.52 C ATOM 802 NZ LYS B 103 9.910 -21.951 20.261 1.00 40.21 N ATOM 0 H LYS B 103 10.529 -17.433 19.894 1.00 34.44 H new ATOM 0 HA LYS B 103 11.421 -16.588 17.342 1.00 43.11 H new ATOM 0 HB2 LYS B 103 11.799 -18.841 16.926 1.00 61.02 H new ATOM 0 HB3 LYS B 103 11.955 -18.727 18.667 1.00 61.02 H new ATOM 0 HG2 LYS B 103 9.675 -19.984 17.091 1.00 70.53 H new ATOM 0 HG3 LYS B 103 10.822 -20.791 18.142 1.00 70.53 H new ATOM 0 HD2 LYS B 103 9.704 -19.197 20.008 1.00 3.11 H new ATOM 0 HD3 LYS B 103 8.367 -19.193 18.874 1.00 3.11 H new ATOM 0 HE2 LYS B 103 8.049 -20.969 20.530 1.00 44.52 H new ATOM 0 HE3 LYS B 103 8.273 -21.671 18.940 1.00 44.52 H new ATOM 0 HZ1 LYS B 103 9.540 -22.671 20.914 1.00 40.21 H new ATOM 0 HZ2 LYS B 103 10.395 -22.419 19.469 1.00 40.21 H new ATOM 0 HZ3 LYS B 103 10.582 -21.339 20.766 1.00 40.21 H new ATOM 816 N LYS B 104 8.232 -17.304 17.619 1.00 22.43 N ATOM 817 CA LYS B 104 6.909 -17.250 16.999 1.00 43.32 C ATOM 818 C LYS B 104 6.547 -15.810 16.626 1.00 1.43 C ATOM 819 O LYS B 104 5.923 -15.616 15.603 1.00 22.30 O ATOM 820 CB LYS B 104 5.834 -17.889 17.927 1.00 11.41 C ATOM 821 CG LYS B 104 5.608 -17.181 19.293 1.00 52.23 C ATOM 822 CD LYS B 104 4.462 -16.134 19.307 1.00 42.04 C ATOM 823 CE LYS B 104 3.078 -16.749 19.052 1.00 11.22 C ATOM 824 NZ LYS B 104 2.691 -17.693 20.136 1.00 34.22 N ATOM 0 H LYS B 104 8.203 -17.494 18.621 1.00 22.43 H new ATOM 0 HA LYS B 104 6.935 -17.834 16.079 1.00 43.32 H new ATOM 0 HB2 LYS B 104 4.886 -17.911 17.390 1.00 11.41 H new ATOM 0 HB3 LYS B 104 6.116 -18.924 18.119 1.00 11.41 H new ATOM 0 HG2 LYS B 104 5.397 -17.939 20.047 1.00 52.23 H new ATOM 0 HG3 LYS B 104 6.534 -16.688 19.587 1.00 52.23 H new ATOM 0 HD2 LYS B 104 4.455 -15.626 20.271 1.00 42.04 H new ATOM 0 HD3 LYS B 104 4.661 -15.377 18.549 1.00 42.04 H new ATOM 0 HE2 LYS B 104 2.335 -15.955 18.977 1.00 11.22 H new ATOM 0 HE3 LYS B 104 3.082 -17.273 18.096 1.00 11.22 H new ATOM 0 HZ1 LYS B 104 1.702 -17.985 20.005 1.00 34.22 H new ATOM 0 HZ2 LYS B 104 3.307 -18.530 20.103 1.00 34.22 H new ATOM 0 HZ3 LYS B 104 2.794 -17.224 21.058 1.00 34.22 H new ATOM 838 N LEU B 105 6.951 -14.796 17.462 1.00 73.13 N ATOM 839 CA LEU B 105 6.641 -13.369 17.168 1.00 2.50 C ATOM 840 C LEU B 105 7.282 -13.017 15.831 1.00 13.40 C ATOM 841 O LEU B 105 6.653 -12.378 14.974 1.00 21.34 O ATOM 842 CB LEU B 105 7.059 -12.368 18.340 1.00 21.41 C ATOM 843 CG LEU B 105 8.504 -11.691 18.367 1.00 3.41 C ATOM 844 CD1 LEU B 105 8.711 -10.579 17.305 1.00 71.34 C ATOM 845 CD2 LEU B 105 8.834 -11.115 19.761 1.00 50.14 C ATOM 0 H LEU B 105 7.479 -14.944 18.322 1.00 73.13 H new ATOM 0 HA LEU B 105 5.560 -13.247 17.103 1.00 2.50 H new ATOM 0 HB2 LEU B 105 6.328 -11.560 18.345 1.00 21.41 H new ATOM 0 HB3 LEU B 105 6.943 -12.909 19.279 1.00 21.41 H new ATOM 0 HG LEU B 105 9.186 -12.505 18.121 1.00 3.41 H new ATOM 0 HD11 LEU B 105 9.719 -10.174 17.394 1.00 71.34 H new ATOM 0 HD12 LEU B 105 8.575 -10.998 16.308 1.00 71.34 H new ATOM 0 HD13 LEU B 105 7.984 -9.783 17.466 1.00 71.34 H new ATOM 0 HD21 LEU B 105 9.825 -10.662 19.742 1.00 50.14 H new ATOM 0 HD22 LEU B 105 8.095 -10.359 20.027 1.00 50.14 H new ATOM 0 HD23 LEU B 105 8.815 -11.916 20.500 1.00 50.14 H new ATOM 857 N TYR B 106 8.547 -13.482 15.667 1.00 14.15 N ATOM 858 CA TYR B 106 9.304 -13.305 14.419 1.00 62.54 C ATOM 859 C TYR B 106 8.523 -13.925 13.240 1.00 62.31 C ATOM 860 O TYR B 106 8.315 -13.270 12.229 1.00 31.35 O ATOM 861 CB TYR B 106 10.731 -13.925 14.538 1.00 60.22 C ATOM 862 CG TYR B 106 11.708 -13.425 13.458 1.00 61.23 C ATOM 863 CD1 TYR B 106 11.952 -14.138 12.276 1.00 1.12 C ATOM 864 CD2 TYR B 106 12.365 -12.205 13.618 1.00 10.33 C ATOM 865 CE1 TYR B 106 12.816 -13.643 11.307 1.00 33.30 C ATOM 866 CE2 TYR B 106 13.223 -11.710 12.657 1.00 11.40 C ATOM 867 CZ TYR B 106 13.445 -12.427 11.504 1.00 4.45 C ATOM 868 OH TYR B 106 14.303 -11.926 10.544 1.00 13.13 O ATOM 0 H TYR B 106 9.059 -13.984 16.393 1.00 14.15 H new ATOM 0 HA TYR B 106 9.427 -12.238 14.232 1.00 62.54 H new ATOM 0 HB2 TYR B 106 11.139 -13.693 15.522 1.00 60.22 H new ATOM 0 HB3 TYR B 106 10.654 -15.010 14.473 1.00 60.22 H new ATOM 0 HD1 TYR B 106 11.461 -15.087 12.116 1.00 1.12 H new ATOM 0 HD2 TYR B 106 12.198 -11.632 14.518 1.00 10.33 H new ATOM 0 HE1 TYR B 106 12.996 -14.206 10.403 1.00 33.30 H new ATOM 0 HE2 TYR B 106 13.719 -10.763 12.810 1.00 11.40 H new ATOM 0 HH TYR B 106 14.658 -11.062 10.841 1.00 13.13 H new ATOM 878 N GLU B 107 8.039 -15.164 13.436 1.00 51.13 N ATOM 879 CA GLU B 107 7.302 -15.930 12.411 1.00 34.22 C ATOM 880 C GLU B 107 5.964 -15.279 12.019 1.00 24.21 C ATOM 881 O GLU B 107 5.636 -15.242 10.838 1.00 40.21 O ATOM 882 CB GLU B 107 7.044 -17.369 12.925 1.00 54.55 C ATOM 883 CG GLU B 107 8.306 -18.225 13.106 1.00 71.54 C ATOM 884 CD GLU B 107 9.115 -18.410 11.812 1.00 12.11 C ATOM 885 OE1 GLU B 107 10.223 -17.849 11.699 1.00 53.22 O ATOM 886 OE2 GLU B 107 8.644 -19.130 10.903 1.00 63.03 O ATOM 0 H GLU B 107 8.148 -15.667 14.316 1.00 51.13 H new ATOM 0 HA GLU B 107 7.925 -15.945 11.517 1.00 34.22 H new ATOM 0 HB2 GLU B 107 6.522 -17.310 13.880 1.00 54.55 H new ATOM 0 HB3 GLU B 107 6.376 -17.875 12.227 1.00 54.55 H new ATOM 0 HG2 GLU B 107 8.943 -17.763 13.860 1.00 71.54 H new ATOM 0 HG3 GLU B 107 8.019 -19.205 13.488 1.00 71.54 H new ATOM 893 N GLN B 108 5.198 -14.785 13.015 1.00 2.32 N ATOM 894 CA GLN B 108 3.824 -14.275 12.785 1.00 65.42 C ATOM 895 C GLN B 108 3.855 -12.980 11.980 1.00 70.12 C ATOM 896 O GLN B 108 3.179 -12.867 10.948 1.00 61.14 O ATOM 897 CB GLN B 108 3.037 -14.041 14.114 1.00 54.14 C ATOM 898 CG GLN B 108 2.917 -15.263 15.050 1.00 73.25 C ATOM 899 CD GLN B 108 2.725 -16.592 14.313 1.00 51.14 C ATOM 900 OE1 GLN B 108 3.829 -17.264 14.015 1.00 51.14 O flip ATOM 901 NE2 GLN B 108 1.606 -17.009 14.018 1.00 22.11 N flip ATOM 0 H GLN B 108 5.505 -14.727 13.986 1.00 2.32 H new ATOM 0 HA GLN B 108 3.302 -15.048 12.221 1.00 65.42 H new ATOM 0 HB2 GLN B 108 3.521 -13.233 14.663 1.00 54.14 H new ATOM 0 HB3 GLN B 108 2.033 -13.699 13.864 1.00 54.14 H new ATOM 0 HG2 GLN B 108 3.814 -15.326 15.666 1.00 73.25 H new ATOM 0 HG3 GLN B 108 2.076 -15.109 15.727 1.00 73.25 H new ATOM 0 HE21 GLN B 108 0.778 -16.466 14.263 1.00 22.11 H new ATOM 0 HE22 GLN B 108 1.506 -17.898 13.528 1.00 22.11 H new ATOM 910 N ILE B 109 4.656 -12.011 12.456 1.00 1.54 N ATOM 911 CA ILE B 109 4.748 -10.692 11.823 1.00 63.14 C ATOM 912 C ILE B 109 5.413 -10.805 10.426 1.00 11.13 C ATOM 913 O ILE B 109 5.043 -10.083 9.508 1.00 75.34 O ATOM 914 CB ILE B 109 5.539 -9.663 12.710 1.00 70.12 C ATOM 915 CG1 ILE B 109 5.059 -9.683 14.198 1.00 50.32 C ATOM 916 CG2 ILE B 109 5.402 -8.241 12.122 1.00 64.53 C ATOM 917 CD1 ILE B 109 5.874 -8.788 15.120 1.00 72.20 C ATOM 0 H ILE B 109 5.249 -12.121 13.279 1.00 1.54 H new ATOM 0 HA ILE B 109 3.730 -10.319 11.711 1.00 63.14 H new ATOM 0 HB ILE B 109 6.588 -9.958 12.702 1.00 70.12 H new ATOM 0 HG12 ILE B 109 4.015 -9.373 14.237 1.00 50.32 H new ATOM 0 HG13 ILE B 109 5.102 -10.707 14.570 1.00 50.32 H new ATOM 0 HG21 ILE B 109 5.953 -7.536 12.744 1.00 64.53 H new ATOM 0 HG22 ILE B 109 5.806 -8.225 11.110 1.00 64.53 H new ATOM 0 HG23 ILE B 109 4.350 -7.957 12.097 1.00 64.53 H new ATOM 0 HD11 ILE B 109 5.480 -8.856 16.134 1.00 72.20 H new ATOM 0 HD12 ILE B 109 6.915 -9.110 15.113 1.00 72.20 H new ATOM 0 HD13 ILE B 109 5.811 -7.756 14.775 1.00 72.20 H new ATOM 929 N LEU B 110 6.390 -11.732 10.288 1.00 21.14 N ATOM 930 CA LEU B 110 7.096 -11.991 9.000 1.00 3.01 C ATOM 931 C LEU B 110 6.165 -12.747 8.016 1.00 73.52 C ATOM 932 O LEU B 110 6.243 -12.533 6.804 1.00 21.33 O ATOM 933 CB LEU B 110 8.441 -12.757 9.256 1.00 73.31 C ATOM 934 CG LEU B 110 9.604 -12.617 8.200 1.00 31.40 C ATOM 935 CD1 LEU B 110 9.344 -13.410 6.901 1.00 71.41 C ATOM 936 CD2 LEU B 110 9.920 -11.128 7.904 1.00 4.21 C ATOM 0 H LEU B 110 6.713 -12.320 11.057 1.00 21.14 H new ATOM 0 HA LEU B 110 7.353 -11.039 8.534 1.00 3.01 H new ATOM 0 HB2 LEU B 110 8.829 -12.430 10.221 1.00 73.31 H new ATOM 0 HB3 LEU B 110 8.205 -13.817 9.350 1.00 73.31 H new ATOM 0 HG LEU B 110 10.486 -13.067 8.656 1.00 31.40 H new ATOM 0 HD11 LEU B 110 10.181 -13.272 6.217 1.00 71.41 H new ATOM 0 HD12 LEU B 110 9.239 -14.469 7.136 1.00 71.41 H new ATOM 0 HD13 LEU B 110 8.428 -13.050 6.432 1.00 71.41 H new ATOM 0 HD21 LEU B 110 10.726 -11.065 7.173 1.00 4.21 H new ATOM 0 HD22 LEU B 110 9.030 -10.639 7.507 1.00 4.21 H new ATOM 0 HD23 LEU B 110 10.226 -10.631 8.825 1.00 4.21 H new ATOM 948 N ALA B 111 5.273 -13.609 8.550 1.00 24.10 N ATOM 949 CA ALA B 111 4.250 -14.311 7.734 1.00 74.21 C ATOM 950 C ALA B 111 3.263 -13.297 7.133 1.00 12.31 C ATOM 951 O ALA B 111 2.954 -13.347 5.937 1.00 53.44 O ATOM 952 CB ALA B 111 3.502 -15.369 8.568 1.00 53.34 C ATOM 0 H ALA B 111 5.238 -13.838 9.543 1.00 24.10 H new ATOM 0 HA ALA B 111 4.759 -14.829 6.921 1.00 74.21 H new ATOM 0 HB1 ALA B 111 2.760 -15.866 7.944 1.00 53.34 H new ATOM 0 HB2 ALA B 111 4.213 -16.106 8.943 1.00 53.34 H new ATOM 0 HB3 ALA B 111 3.004 -14.885 9.408 1.00 53.34 H new ATOM 958 N GLU B 112 2.799 -12.362 7.985 1.00 2.22 N ATOM 959 CA GLU B 112 1.928 -11.253 7.568 1.00 23.42 C ATOM 960 C GLU B 112 2.697 -10.293 6.627 1.00 73.52 C ATOM 961 O GLU B 112 2.130 -9.801 5.678 1.00 64.42 O ATOM 962 CB GLU B 112 1.368 -10.496 8.811 1.00 52.10 C ATOM 963 CG GLU B 112 0.486 -9.250 8.489 1.00 20.44 C ATOM 964 CD GLU B 112 -0.909 -9.513 7.876 1.00 21.40 C ATOM 965 OE1 GLU B 112 -1.315 -10.681 7.677 1.00 21.32 O ATOM 966 OE2 GLU B 112 -1.620 -8.519 7.586 1.00 32.01 O ATOM 0 H GLU B 112 3.019 -12.357 8.981 1.00 2.22 H new ATOM 0 HA GLU B 112 1.080 -11.661 7.018 1.00 23.42 H new ATOM 0 HB2 GLU B 112 0.779 -11.194 9.406 1.00 52.10 H new ATOM 0 HB3 GLU B 112 2.206 -10.177 9.430 1.00 52.10 H new ATOM 0 HG2 GLU B 112 0.349 -8.685 9.411 1.00 20.44 H new ATOM 0 HG3 GLU B 112 1.042 -8.611 7.803 1.00 20.44 H new ATOM 973 N ASN B 113 4.008 -10.093 6.895 1.00 73.24 N ATOM 974 CA ASN B 113 4.917 -9.227 6.084 1.00 35.31 C ATOM 975 C ASN B 113 5.032 -9.749 4.636 1.00 43.43 C ATOM 976 O ASN B 113 5.012 -8.968 3.679 1.00 51.24 O ATOM 977 CB ASN B 113 6.320 -9.184 6.757 1.00 51.24 C ATOM 978 CG ASN B 113 7.403 -8.434 5.968 1.00 51.42 C ATOM 979 OD1 ASN B 113 8.068 -9.009 5.103 1.00 24.11 O ATOM 980 ND2 ASN B 113 7.611 -7.162 6.269 1.00 25.45 N ATOM 0 H ASN B 113 4.477 -10.530 7.688 1.00 73.24 H new ATOM 0 HA ASN B 113 4.501 -8.220 6.042 1.00 35.31 H new ATOM 0 HB2 ASN B 113 6.220 -8.719 7.738 1.00 51.24 H new ATOM 0 HB3 ASN B 113 6.657 -10.207 6.922 1.00 51.24 H new ATOM 0 HD21 ASN B 113 8.335 -6.634 5.781 1.00 25.45 H new ATOM 0 HD22 ASN B 113 7.047 -6.709 6.989 1.00 25.45 H new ATOM 987 N GLU B 114 5.151 -11.087 4.508 1.00 40.43 N ATOM 988 CA GLU B 114 5.208 -11.785 3.210 1.00 60.52 C ATOM 989 C GLU B 114 3.852 -11.692 2.492 1.00 24.21 C ATOM 990 O GLU B 114 3.793 -11.411 1.290 1.00 64.01 O ATOM 991 CB GLU B 114 5.649 -13.278 3.401 1.00 23.24 C ATOM 992 CG GLU B 114 5.032 -14.261 2.375 1.00 10.34 C ATOM 993 CD GLU B 114 5.755 -15.611 2.252 1.00 71.44 C ATOM 994 OE1 GLU B 114 6.519 -15.801 1.281 1.00 43.22 O ATOM 995 OE2 GLU B 114 5.549 -16.491 3.116 1.00 3.45 O ATOM 0 H GLU B 114 5.210 -11.716 5.309 1.00 40.43 H new ATOM 0 HA GLU B 114 5.955 -11.296 2.585 1.00 60.52 H new ATOM 0 HB2 GLU B 114 6.735 -13.335 3.333 1.00 23.24 H new ATOM 0 HB3 GLU B 114 5.375 -13.600 4.406 1.00 23.24 H new ATOM 0 HG2 GLU B 114 3.994 -14.446 2.651 1.00 10.34 H new ATOM 0 HG3 GLU B 114 5.021 -13.781 1.396 1.00 10.34 H new ATOM 1002 N LYS B 115 2.773 -11.952 3.251 1.00 33.52 N ATOM 1003 CA LYS B 115 1.391 -11.843 2.756 1.00 70.04 C ATOM 1004 C LYS B 115 1.124 -10.420 2.215 1.00 63.52 C ATOM 1005 O LYS B 115 0.498 -10.243 1.164 1.00 15.01 O ATOM 1006 CB LYS B 115 0.379 -12.164 3.893 1.00 41.44 C ATOM 1007 CG LYS B 115 -1.110 -12.248 3.431 1.00 60.44 C ATOM 1008 CD LYS B 115 -2.104 -11.475 4.332 1.00 72.20 C ATOM 1009 CE LYS B 115 -1.911 -9.952 4.267 1.00 34.31 C ATOM 1010 NZ LYS B 115 -2.885 -9.233 5.136 1.00 35.42 N ATOM 0 H LYS B 115 2.836 -12.244 4.226 1.00 33.52 H new ATOM 0 HA LYS B 115 1.261 -12.564 1.949 1.00 70.04 H new ATOM 0 HB2 LYS B 115 0.657 -13.112 4.353 1.00 41.44 H new ATOM 0 HB3 LYS B 115 0.464 -11.399 4.664 1.00 41.44 H new ATOM 0 HG2 LYS B 115 -1.185 -11.862 2.414 1.00 60.44 H new ATOM 0 HG3 LYS B 115 -1.409 -13.296 3.397 1.00 60.44 H new ATOM 0 HD2 LYS B 115 -3.123 -11.720 4.033 1.00 72.20 H new ATOM 0 HD3 LYS B 115 -1.986 -11.807 5.363 1.00 72.20 H new ATOM 0 HE2 LYS B 115 -0.896 -9.701 4.574 1.00 34.31 H new ATOM 0 HE3 LYS B 115 -2.025 -9.615 3.237 1.00 34.31 H new ATOM 0 HZ1 LYS B 115 -3.346 -8.478 4.590 1.00 35.42 H new ATOM 0 HZ2 LYS B 115 -3.605 -9.902 5.478 1.00 35.42 H new ATOM 0 HZ3 LYS B 115 -2.385 -8.817 5.948 1.00 35.42 H new ATOM 1024 N LEU B 116 1.654 -9.422 2.954 1.00 65.12 N ATOM 1025 CA LEU B 116 1.558 -7.998 2.608 1.00 11.21 C ATOM 1026 C LEU B 116 2.397 -7.687 1.366 1.00 63.31 C ATOM 1027 O LEU B 116 1.998 -6.875 0.539 1.00 23.45 O ATOM 1028 CB LEU B 116 1.981 -7.097 3.803 1.00 50.42 C ATOM 1029 CG LEU B 116 0.987 -7.059 5.003 1.00 53.50 C ATOM 1030 CD1 LEU B 116 1.585 -6.324 6.215 1.00 44.42 C ATOM 1031 CD2 LEU B 116 -0.360 -6.452 4.592 1.00 13.53 C ATOM 0 H LEU B 116 2.167 -9.591 3.819 1.00 65.12 H new ATOM 0 HA LEU B 116 0.515 -7.778 2.381 1.00 11.21 H new ATOM 0 HB2 LEU B 116 2.950 -7.439 4.168 1.00 50.42 H new ATOM 0 HB3 LEU B 116 2.119 -6.080 3.437 1.00 50.42 H new ATOM 0 HG LEU B 116 0.807 -8.090 5.307 1.00 53.50 H new ATOM 0 HD11 LEU B 116 0.862 -6.319 7.031 1.00 44.42 H new ATOM 0 HD12 LEU B 116 2.493 -6.834 6.538 1.00 44.42 H new ATOM 0 HD13 LEU B 116 1.825 -5.298 5.936 1.00 44.42 H new ATOM 0 HD21 LEU B 116 -1.031 -6.440 5.451 1.00 13.53 H new ATOM 0 HD22 LEU B 116 -0.207 -5.433 4.237 1.00 13.53 H new ATOM 0 HD23 LEU B 116 -0.801 -7.051 3.796 1.00 13.53 H new ATOM 1043 N LYS B 117 3.532 -8.375 1.236 1.00 43.03 N ATOM 1044 CA LYS B 117 4.447 -8.222 0.086 1.00 55.44 C ATOM 1045 C LYS B 117 3.754 -8.703 -1.209 1.00 51.44 C ATOM 1046 O LYS B 117 3.898 -8.090 -2.271 1.00 32.35 O ATOM 1047 CB LYS B 117 5.773 -9.014 0.333 1.00 33.14 C ATOM 1048 CG LYS B 117 7.048 -8.343 -0.230 1.00 73.24 C ATOM 1049 CD LYS B 117 7.418 -7.046 0.522 1.00 2.14 C ATOM 1050 CE LYS B 117 7.646 -7.275 2.028 1.00 12.14 C ATOM 1051 NZ LYS B 117 8.729 -8.266 2.300 1.00 33.11 N ATOM 0 H LYS B 117 3.851 -9.058 1.923 1.00 43.03 H new ATOM 0 HA LYS B 117 4.699 -7.167 -0.027 1.00 55.44 H new ATOM 0 HB2 LYS B 117 5.899 -9.157 1.406 1.00 33.14 H new ATOM 0 HB3 LYS B 117 5.675 -10.005 -0.111 1.00 33.14 H new ATOM 0 HG2 LYS B 117 7.880 -9.044 -0.169 1.00 73.24 H new ATOM 0 HG3 LYS B 117 6.899 -8.117 -1.286 1.00 73.24 H new ATOM 0 HD2 LYS B 117 8.321 -6.621 0.083 1.00 2.14 H new ATOM 0 HD3 LYS B 117 6.623 -6.313 0.387 1.00 2.14 H new ATOM 0 HE2 LYS B 117 7.899 -6.327 2.502 1.00 12.14 H new ATOM 0 HE3 LYS B 117 6.718 -7.622 2.484 1.00 12.14 H new ATOM 0 HZ1 LYS B 117 8.719 -8.524 3.307 1.00 33.11 H new ATOM 0 HZ2 LYS B 117 8.574 -9.117 1.723 1.00 33.11 H new ATOM 0 HZ3 LYS B 117 9.650 -7.848 2.059 1.00 33.11 H new ATOM 1065 N ALA B 118 2.963 -9.783 -1.066 1.00 74.44 N ATOM 1066 CA ALA B 118 2.264 -10.450 -2.178 1.00 75.31 C ATOM 1067 C ALA B 118 1.029 -9.639 -2.628 1.00 14.25 C ATOM 1068 O ALA B 118 0.805 -9.450 -3.829 1.00 30.41 O ATOM 1069 CB ALA B 118 1.856 -11.873 -1.747 1.00 73.43 C ATOM 0 H ALA B 118 2.790 -10.222 -0.162 1.00 74.44 H new ATOM 0 HA ALA B 118 2.940 -10.513 -3.030 1.00 75.31 H new ATOM 0 HB1 ALA B 118 1.339 -12.368 -2.569 1.00 73.43 H new ATOM 0 HB2 ALA B 118 2.747 -12.443 -1.484 1.00 73.43 H new ATOM 0 HB3 ALA B 118 1.194 -11.816 -0.883 1.00 73.43 H new ATOM 1075 N GLN B 119 0.232 -9.157 -1.645 1.00 44.01 N ATOM 1076 CA GLN B 119 -1.015 -8.400 -1.910 1.00 51.41 C ATOM 1077 C GLN B 119 -0.709 -7.015 -2.507 1.00 53.42 C ATOM 1078 O GLN B 119 -1.425 -6.553 -3.398 1.00 32.31 O ATOM 1079 CB GLN B 119 -1.883 -8.289 -0.610 1.00 72.40 C ATOM 1080 CG GLN B 119 -1.224 -7.547 0.579 1.00 34.20 C ATOM 1081 CD GLN B 119 -1.370 -6.025 0.578 1.00 5.45 C ATOM 1082 OE1 GLN B 119 -2.376 -5.475 0.139 1.00 71.51 O ATOM 1083 NE2 GLN B 119 -0.337 -5.330 1.045 1.00 52.12 N ATOM 0 H GLN B 119 0.433 -9.281 -0.653 1.00 44.01 H new ATOM 0 HA GLN B 119 -1.595 -8.950 -2.651 1.00 51.41 H new ATOM 0 HB2 GLN B 119 -2.814 -7.781 -0.860 1.00 72.40 H new ATOM 0 HB3 GLN B 119 -2.147 -9.295 -0.285 1.00 72.40 H new ATOM 0 HG2 GLN B 119 -1.650 -7.933 1.505 1.00 34.20 H new ATOM 0 HG3 GLN B 119 -0.162 -7.791 0.591 1.00 34.20 H new ATOM 0 HE21 GLN B 119 0.485 -5.816 1.403 1.00 52.12 H new ATOM 0 HE22 GLN B 119 -0.367 -4.310 1.045 1.00 52.12 H new ATOM 1092 N LEU B 120 0.363 -6.354 -1.998 1.00 34.24 N ATOM 1093 CA LEU B 120 0.774 -5.021 -2.486 1.00 32.41 C ATOM 1094 C LEU B 120 1.324 -5.163 -3.895 1.00 72.34 C ATOM 1095 O LEU B 120 1.063 -4.323 -4.745 1.00 52.23 O ATOM 1096 CB LEU B 120 1.802 -4.325 -1.525 1.00 23.32 C ATOM 1097 CG LEU B 120 3.340 -4.719 -1.610 1.00 14.12 C ATOM 1098 CD1 LEU B 120 4.123 -3.895 -2.669 1.00 55.21 C ATOM 1099 CD2 LEU B 120 4.040 -4.608 -0.239 1.00 42.22 C ATOM 0 H LEU B 120 0.953 -6.725 -1.253 1.00 34.24 H new ATOM 0 HA LEU B 120 -0.099 -4.369 -2.504 1.00 32.41 H new ATOM 0 HB2 LEU B 120 1.730 -3.250 -1.692 1.00 23.32 H new ATOM 0 HB3 LEU B 120 1.472 -4.512 -0.503 1.00 23.32 H new ATOM 0 HG LEU B 120 3.352 -5.761 -1.929 1.00 14.12 H new ATOM 0 HD11 LEU B 120 5.166 -4.211 -2.678 1.00 55.21 H new ATOM 0 HD12 LEU B 120 3.686 -4.059 -3.654 1.00 55.21 H new ATOM 0 HD13 LEU B 120 4.067 -2.835 -2.419 1.00 55.21 H new ATOM 0 HD21 LEU B 120 5.089 -4.886 -0.342 1.00 42.22 H new ATOM 0 HD22 LEU B 120 3.971 -3.582 0.123 1.00 42.22 H new ATOM 0 HD23 LEU B 120 3.556 -5.277 0.472 1.00 42.22 H new ATOM 1111 N HIS B 121 2.089 -6.261 -4.117 1.00 54.11 N ATOM 1112 CA HIS B 121 2.631 -6.604 -5.433 1.00 30.14 C ATOM 1113 C HIS B 121 1.494 -6.695 -6.452 1.00 0.22 C ATOM 1114 O HIS B 121 1.573 -6.080 -7.508 1.00 35.34 O ATOM 1115 CB HIS B 121 3.438 -7.933 -5.377 1.00 23.13 C ATOM 1116 CG HIS B 121 3.830 -8.477 -6.726 1.00 70.10 C ATOM 1117 ND1 HIS B 121 3.451 -9.728 -7.156 1.00 25.51 N ATOM 1118 CD2 HIS B 121 4.566 -7.942 -7.740 1.00 72.34 C ATOM 1119 CE1 HIS B 121 3.921 -9.941 -8.364 1.00 43.40 C ATOM 1120 NE2 HIS B 121 4.598 -8.877 -8.742 1.00 71.22 N ATOM 0 H HIS B 121 2.340 -6.924 -3.384 1.00 54.11 H new ATOM 0 HA HIS B 121 3.319 -5.818 -5.744 1.00 30.14 H new ATOM 0 HB2 HIS B 121 4.340 -7.772 -4.787 1.00 23.13 H new ATOM 0 HB3 HIS B 121 2.845 -8.683 -4.854 1.00 23.13 H new ATOM 0 HD2 HIS B 121 5.034 -6.969 -7.752 1.00 72.34 H new ATOM 0 HE1 HIS B 121 3.776 -10.838 -8.948 1.00 43.40 H new ATOM 0 HE2 HIS B 121 5.071 -8.766 -9.639 1.00 71.22 H new ATOM 1129 N ASP B 122 0.425 -7.425 -6.078 1.00 71.32 N ATOM 1130 CA ASP B 122 -0.778 -7.588 -6.908 1.00 14.03 C ATOM 1131 C ASP B 122 -1.387 -6.209 -7.248 1.00 44.33 C ATOM 1132 O ASP B 122 -1.599 -5.908 -8.418 1.00 31.21 O ATOM 1133 CB ASP B 122 -1.821 -8.483 -6.184 1.00 12.33 C ATOM 1134 CG ASP B 122 -3.057 -8.790 -7.054 1.00 21.22 C ATOM 1135 OD1 ASP B 122 -4.076 -8.077 -6.946 1.00 44.53 O ATOM 1136 OD2 ASP B 122 -3.013 -9.757 -7.852 1.00 3.52 O ATOM 0 H ASP B 122 0.375 -7.919 -5.187 1.00 71.32 H new ATOM 0 HA ASP B 122 -0.494 -8.079 -7.839 1.00 14.03 H new ATOM 0 HB2 ASP B 122 -1.347 -9.420 -5.892 1.00 12.33 H new ATOM 0 HB3 ASP B 122 -2.142 -7.989 -5.267 1.00 12.33 H new ATOM 1141 N THR B 123 -1.574 -5.364 -6.209 1.00 31.42 N ATOM 1142 CA THR B 123 -2.154 -4.010 -6.351 1.00 51.11 C ATOM 1143 C THR B 123 -1.286 -3.118 -7.276 1.00 33.12 C ATOM 1144 O THR B 123 -1.811 -2.330 -8.067 1.00 34.11 O ATOM 1145 CB THR B 123 -2.311 -3.311 -4.956 1.00 12.00 C ATOM 1146 OG1 THR B 123 -2.934 -4.203 -4.020 1.00 54.44 O ATOM 1147 CG2 THR B 123 -3.147 -2.019 -5.046 1.00 23.24 C ATOM 0 H THR B 123 -1.327 -5.602 -5.248 1.00 31.42 H new ATOM 0 HA THR B 123 -3.139 -4.133 -6.801 1.00 51.11 H new ATOM 0 HB THR B 123 -1.309 -3.049 -4.618 1.00 12.00 H new ATOM 0 HG1 THR B 123 -2.291 -4.890 -3.746 1.00 54.44 H new ATOM 0 HG21 THR B 123 -3.229 -1.569 -4.057 1.00 23.24 H new ATOM 0 HG22 THR B 123 -2.661 -1.318 -5.724 1.00 23.24 H new ATOM 0 HG23 THR B 123 -4.143 -2.255 -5.421 1.00 23.24 H new ATOM 1155 N ASN B 124 0.050 -3.287 -7.190 1.00 70.11 N ATOM 1156 CA ASN B 124 1.011 -2.509 -7.995 1.00 21.55 C ATOM 1157 C ASN B 124 0.963 -2.969 -9.459 1.00 54.22 C ATOM 1158 O ASN B 124 1.105 -2.145 -10.359 1.00 5.11 O ATOM 1159 CB ASN B 124 2.464 -2.621 -7.432 1.00 11.32 C ATOM 1160 CG ASN B 124 2.719 -1.833 -6.130 1.00 32.53 C ATOM 1161 OD1 ASN B 124 1.748 -1.771 -5.231 1.00 1.45 O flip ATOM 1162 ND2 ASN B 124 3.811 -1.302 -5.920 1.00 5.42 N flip ATOM 0 H ASN B 124 0.489 -3.962 -6.564 1.00 70.11 H new ATOM 0 HA ASN B 124 0.722 -1.459 -7.939 1.00 21.55 H new ATOM 0 HB2 ASN B 124 2.689 -3.672 -7.253 1.00 11.32 H new ATOM 0 HB3 ASN B 124 3.161 -2.271 -8.194 1.00 11.32 H new ATOM 0 HD21 ASN B 124 4.549 -1.358 -6.622 1.00 5.42 H new ATOM 0 HD22 ASN B 124 3.977 -0.806 -5.044 1.00 5.42 H new ATOM 1169 N MET B 125 0.739 -4.290 -9.686 1.00 1.01 N ATOM 1170 CA MET B 125 0.585 -4.859 -11.038 1.00 23.20 C ATOM 1171 C MET B 125 -0.650 -4.268 -11.735 1.00 55.55 C ATOM 1172 O MET B 125 -0.556 -3.848 -12.890 1.00 42.11 O ATOM 1173 CB MET B 125 0.462 -6.403 -10.985 1.00 74.41 C ATOM 1174 CG MET B 125 1.675 -7.123 -10.398 1.00 2.21 C ATOM 1175 SD MET B 125 3.180 -6.937 -11.381 1.00 51.42 S ATOM 1176 CE MET B 125 2.708 -7.686 -12.939 1.00 73.44 C ATOM 0 H MET B 125 0.662 -4.980 -8.939 1.00 1.01 H new ATOM 0 HA MET B 125 1.477 -4.600 -11.608 1.00 23.20 H new ATOM 0 HB2 MET B 125 -0.417 -6.663 -10.396 1.00 74.41 H new ATOM 0 HB3 MET B 125 0.290 -6.775 -11.995 1.00 74.41 H new ATOM 0 HG2 MET B 125 1.860 -6.744 -9.393 1.00 2.21 H new ATOM 0 HG3 MET B 125 1.444 -8.184 -10.301 1.00 2.21 H new ATOM 0 HE1 MET B 125 3.601 -7.897 -13.527 1.00 73.44 H new ATOM 0 HE2 MET B 125 2.172 -8.616 -12.748 1.00 73.44 H new ATOM 0 HE3 MET B 125 2.063 -7.002 -13.491 1.00 73.44 H new ATOM 1186 N GLU B 126 -1.790 -4.202 -10.992 1.00 5.22 N ATOM 1187 CA GLU B 126 -3.056 -3.636 -11.517 1.00 42.33 C ATOM 1188 C GLU B 126 -2.833 -2.157 -11.848 1.00 22.24 C ATOM 1189 O GLU B 126 -3.238 -1.689 -12.896 1.00 60.45 O ATOM 1190 CB GLU B 126 -4.244 -3.745 -10.506 1.00 23.12 C ATOM 1191 CG GLU B 126 -4.297 -5.017 -9.666 1.00 20.43 C ATOM 1192 CD GLU B 126 -5.520 -5.086 -8.741 1.00 33.02 C ATOM 1193 OE1 GLU B 126 -5.520 -4.398 -7.695 1.00 0.34 O ATOM 1194 OE2 GLU B 126 -6.490 -5.812 -9.059 1.00 71.21 O ATOM 0 H GLU B 126 -1.853 -4.534 -10.030 1.00 5.22 H new ATOM 0 HA GLU B 126 -3.326 -4.215 -12.400 1.00 42.33 H new ATOM 0 HB2 GLU B 126 -4.200 -2.890 -9.831 1.00 23.12 H new ATOM 0 HB3 GLU B 126 -5.177 -3.663 -11.063 1.00 23.12 H new ATOM 0 HG2 GLU B 126 -4.303 -5.882 -10.330 1.00 20.43 H new ATOM 0 HG3 GLU B 126 -3.391 -5.084 -9.064 1.00 20.43 H new ATOM 1201 N LEU B 127 -2.141 -1.458 -10.916 1.00 64.21 N ATOM 1202 CA LEU B 127 -1.800 -0.031 -11.039 1.00 55.40 C ATOM 1203 C LEU B 127 -0.827 0.224 -12.226 1.00 24.25 C ATOM 1204 O LEU B 127 -0.836 1.311 -12.780 1.00 14.55 O ATOM 1205 CB LEU B 127 -1.191 0.507 -9.702 1.00 40.33 C ATOM 1206 CG LEU B 127 -0.852 2.038 -9.661 1.00 44.13 C ATOM 1207 CD1 LEU B 127 -2.129 2.908 -9.654 1.00 35.13 C ATOM 1208 CD2 LEU B 127 0.087 2.379 -8.482 1.00 42.51 C ATOM 0 H LEU B 127 -1.803 -1.879 -10.051 1.00 64.21 H new ATOM 0 HA LEU B 127 -2.722 0.512 -11.245 1.00 55.40 H new ATOM 0 HB2 LEU B 127 -1.891 0.290 -8.895 1.00 40.33 H new ATOM 0 HB3 LEU B 127 -0.279 -0.051 -9.492 1.00 40.33 H new ATOM 0 HG LEU B 127 -0.314 2.276 -10.578 1.00 44.13 H new ATOM 0 HD11 LEU B 127 -1.851 3.962 -9.625 1.00 35.13 H new ATOM 0 HD12 LEU B 127 -2.709 2.710 -10.555 1.00 35.13 H new ATOM 0 HD13 LEU B 127 -2.729 2.667 -8.776 1.00 35.13 H new ATOM 0 HD21 LEU B 127 0.301 3.448 -8.484 1.00 42.51 H new ATOM 0 HD22 LEU B 127 -0.395 2.107 -7.543 1.00 42.51 H new ATOM 0 HD23 LEU B 127 1.018 1.823 -8.586 1.00 42.51 H new ATOM 1220 N THR B 128 0.005 -0.786 -12.603 1.00 0.41 N ATOM 1221 CA THR B 128 0.934 -0.690 -13.771 1.00 40.15 C ATOM 1222 C THR B 128 0.136 -0.782 -15.093 1.00 13.41 C ATOM 1223 O THR B 128 0.355 0.004 -16.022 1.00 51.51 O ATOM 1224 CB THR B 128 2.049 -1.806 -13.733 1.00 15.14 C ATOM 1225 OG1 THR B 128 2.850 -1.657 -12.546 1.00 73.25 O ATOM 1226 CG2 THR B 128 2.978 -1.765 -14.971 1.00 42.43 C ATOM 0 H THR B 128 0.053 -1.680 -12.115 1.00 0.41 H new ATOM 0 HA THR B 128 1.435 0.276 -13.713 1.00 40.15 H new ATOM 0 HB THR B 128 1.533 -2.766 -13.734 1.00 15.14 H new ATOM 0 HG1 THR B 128 2.294 -1.814 -11.754 1.00 73.25 H new ATOM 0 HG21 THR B 128 3.725 -2.554 -14.891 1.00 42.43 H new ATOM 0 HG22 THR B 128 2.387 -1.915 -15.875 1.00 42.43 H new ATOM 0 HG23 THR B 128 3.477 -0.797 -15.020 1.00 42.43 H new ATOM 1234 N ASP B 129 -0.805 -1.743 -15.142 1.00 4.14 N ATOM 1235 CA ASP B 129 -1.734 -1.923 -16.284 1.00 71.15 C ATOM 1236 C ASP B 129 -2.587 -0.667 -16.457 1.00 51.34 C ATOM 1237 O ASP B 129 -2.743 -0.157 -17.552 1.00 22.51 O ATOM 1238 CB ASP B 129 -2.673 -3.140 -16.061 1.00 55.52 C ATOM 1239 CG ASP B 129 -1.932 -4.479 -15.997 1.00 2.44 C ATOM 1240 OD1 ASP B 129 -1.307 -4.867 -17.008 1.00 24.12 O ATOM 1241 OD2 ASP B 129 -1.992 -5.165 -14.958 1.00 22.33 O ATOM 0 H ASP B 129 -0.946 -2.420 -14.392 1.00 4.14 H new ATOM 0 HA ASP B 129 -1.135 -2.101 -17.177 1.00 71.15 H new ATOM 0 HB2 ASP B 129 -3.228 -2.996 -15.134 1.00 55.52 H new ATOM 0 HB3 ASP B 129 -3.405 -3.177 -16.868 1.00 55.52 H new ATOM 1246 N LEU B 130 -3.089 -0.181 -15.320 1.00 53.41 N ATOM 1247 CA LEU B 130 -3.964 0.978 -15.203 1.00 74.52 C ATOM 1248 C LEU B 130 -3.237 2.242 -15.675 1.00 71.32 C ATOM 1249 O LEU B 130 -3.789 3.013 -16.435 1.00 10.50 O ATOM 1250 CB LEU B 130 -4.407 1.058 -13.714 1.00 5.43 C ATOM 1251 CG LEU B 130 -4.927 2.403 -13.146 1.00 5.01 C ATOM 1252 CD1 LEU B 130 -6.027 3.020 -14.015 1.00 72.30 C ATOM 1253 CD2 LEU B 130 -5.392 2.202 -11.688 1.00 52.30 C ATOM 0 H LEU B 130 -2.885 -0.607 -14.416 1.00 53.41 H new ATOM 0 HA LEU B 130 -4.846 0.888 -15.838 1.00 74.52 H new ATOM 0 HB2 LEU B 130 -5.191 0.315 -13.566 1.00 5.43 H new ATOM 0 HB3 LEU B 130 -3.558 0.751 -13.103 1.00 5.43 H new ATOM 0 HG LEU B 130 -4.105 3.119 -13.159 1.00 5.01 H new ATOM 0 HD11 LEU B 130 -6.356 3.960 -13.572 1.00 72.30 H new ATOM 0 HD12 LEU B 130 -5.638 3.207 -15.016 1.00 72.30 H new ATOM 0 HD13 LEU B 130 -6.871 2.333 -14.076 1.00 72.30 H new ATOM 0 HD21 LEU B 130 -5.758 3.148 -11.289 1.00 52.30 H new ATOM 0 HD22 LEU B 130 -6.193 1.463 -11.660 1.00 52.30 H new ATOM 0 HD23 LEU B 130 -4.555 1.853 -11.084 1.00 52.30 H new ATOM 1265 N LYS B 131 -1.994 2.395 -15.210 1.00 44.23 N ATOM 1266 CA LYS B 131 -1.060 3.463 -15.606 1.00 64.44 C ATOM 1267 C LYS B 131 -0.934 3.548 -17.150 1.00 34.11 C ATOM 1268 O LYS B 131 -1.046 4.640 -17.737 1.00 65.14 O ATOM 1269 CB LYS B 131 0.296 3.130 -14.916 1.00 25.10 C ATOM 1270 CG LYS B 131 1.552 3.806 -15.456 1.00 73.45 C ATOM 1271 CD LYS B 131 1.592 5.329 -15.227 1.00 11.23 C ATOM 1272 CE LYS B 131 2.906 5.924 -15.733 1.00 2.35 C ATOM 1273 NZ LYS B 131 3.103 5.655 -17.178 1.00 32.25 N ATOM 0 H LYS B 131 -1.592 1.758 -14.522 1.00 44.23 H new ATOM 0 HA LYS B 131 -1.413 4.445 -15.291 1.00 64.44 H new ATOM 0 HB2 LYS B 131 0.206 3.384 -13.860 1.00 25.10 H new ATOM 0 HB3 LYS B 131 0.445 2.052 -14.973 1.00 25.10 H new ATOM 0 HG2 LYS B 131 2.426 3.355 -14.985 1.00 73.45 H new ATOM 0 HG3 LYS B 131 1.628 3.608 -16.525 1.00 73.45 H new ATOM 0 HD2 LYS B 131 0.754 5.800 -15.741 1.00 11.23 H new ATOM 0 HD3 LYS B 131 1.476 5.544 -14.165 1.00 11.23 H new ATOM 0 HE2 LYS B 131 2.911 7.000 -15.558 1.00 2.35 H new ATOM 0 HE3 LYS B 131 3.738 5.505 -15.167 1.00 2.35 H new ATOM 0 HZ1 LYS B 131 3.877 6.248 -17.539 1.00 32.25 H new ATOM 0 HZ2 LYS B 131 3.342 4.652 -17.315 1.00 32.25 H new ATOM 0 HZ3 LYS B 131 2.228 5.876 -17.695 1.00 32.25 H new ATOM 1287 N LEU B 132 -0.759 2.369 -17.781 1.00 52.41 N ATOM 1288 CA LEU B 132 -0.652 2.238 -19.243 1.00 14.42 C ATOM 1289 C LEU B 132 -1.981 2.620 -19.930 1.00 32.45 C ATOM 1290 O LEU B 132 -2.008 3.431 -20.853 1.00 4.22 O ATOM 1291 CB LEU B 132 -0.261 0.782 -19.627 1.00 71.34 C ATOM 1292 CG LEU B 132 -0.121 0.498 -21.157 1.00 24.03 C ATOM 1293 CD1 LEU B 132 0.985 1.364 -21.789 1.00 21.44 C ATOM 1294 CD2 LEU B 132 0.093 -1.006 -21.439 1.00 41.15 C ATOM 0 H LEU B 132 -0.688 1.480 -17.286 1.00 52.41 H new ATOM 0 HA LEU B 132 0.125 2.921 -19.587 1.00 14.42 H new ATOM 0 HB2 LEU B 132 0.685 0.540 -19.143 1.00 71.34 H new ATOM 0 HB3 LEU B 132 -1.010 0.104 -19.218 1.00 71.34 H new ATOM 0 HG LEU B 132 -1.061 0.779 -21.631 1.00 24.03 H new ATOM 0 HD11 LEU B 132 1.057 1.142 -22.854 1.00 21.44 H new ATOM 0 HD12 LEU B 132 0.744 2.418 -21.653 1.00 21.44 H new ATOM 0 HD13 LEU B 132 1.938 1.145 -21.308 1.00 21.44 H new ATOM 0 HD21 LEU B 132 0.186 -1.165 -22.513 1.00 41.15 H new ATOM 0 HD22 LEU B 132 1.003 -1.344 -20.942 1.00 41.15 H new ATOM 0 HD23 LEU B 132 -0.758 -1.572 -21.061 1.00 41.15 H new ATOM 1306 N GLN B 133 -3.080 2.042 -19.438 1.00 34.24 N ATOM 1307 CA GLN B 133 -4.422 2.217 -20.022 1.00 60.22 C ATOM 1308 C GLN B 133 -4.935 3.661 -19.825 1.00 43.31 C ATOM 1309 O GLN B 133 -5.724 4.158 -20.629 1.00 11.21 O ATOM 1310 CB GLN B 133 -5.404 1.203 -19.382 1.00 55.12 C ATOM 1311 CG GLN B 133 -5.054 -0.282 -19.592 1.00 73.25 C ATOM 1312 CD GLN B 133 -6.008 -1.220 -18.844 1.00 23.31 C ATOM 1313 OE1 GLN B 133 -5.757 -1.428 -17.557 1.00 70.32 O flip ATOM 1314 NE2 GLN B 133 -6.998 -1.696 -19.397 1.00 14.10 N flip ATOM 0 H GLN B 133 -3.069 1.435 -18.618 1.00 34.24 H new ATOM 0 HA GLN B 133 -4.359 2.032 -21.094 1.00 60.22 H new ATOM 0 HB2 GLN B 133 -5.454 1.399 -18.311 1.00 55.12 H new ATOM 0 HB3 GLN B 133 -6.400 1.384 -19.786 1.00 55.12 H new ATOM 0 HG2 GLN B 133 -5.084 -0.512 -20.657 1.00 73.25 H new ATOM 0 HG3 GLN B 133 -4.033 -0.463 -19.255 1.00 73.25 H new ATOM 0 HE21 GLN B 133 -7.164 -1.518 -20.388 1.00 14.10 H new ATOM 0 HE22 GLN B 133 -7.653 -2.269 -18.865 1.00 14.10 H new ATOM 1323 N LEU B 134 -4.450 4.318 -18.755 1.00 24.34 N ATOM 1324 CA LEU B 134 -4.871 5.680 -18.356 1.00 51.15 C ATOM 1325 C LEU B 134 -4.283 6.678 -19.351 1.00 54.31 C ATOM 1326 O LEU B 134 -4.998 7.537 -19.858 1.00 13.40 O ATOM 1327 CB LEU B 134 -4.394 5.982 -16.890 1.00 22.52 C ATOM 1328 CG LEU B 134 -5.083 7.147 -16.083 1.00 25.03 C ATOM 1329 CD1 LEU B 134 -4.817 8.550 -16.658 1.00 13.41 C ATOM 1330 CD2 LEU B 134 -6.596 6.898 -15.907 1.00 44.03 C ATOM 0 H LEU B 134 -3.747 3.916 -18.135 1.00 24.34 H new ATOM 0 HA LEU B 134 -5.958 5.763 -18.369 1.00 51.15 H new ATOM 0 HB2 LEU B 134 -4.513 5.066 -16.311 1.00 22.52 H new ATOM 0 HB3 LEU B 134 -3.326 6.197 -16.930 1.00 22.52 H new ATOM 0 HG LEU B 134 -4.611 7.133 -15.100 1.00 25.03 H new ATOM 0 HD11 LEU B 134 -5.325 9.296 -16.047 1.00 13.41 H new ATOM 0 HD12 LEU B 134 -3.745 8.747 -16.655 1.00 13.41 H new ATOM 0 HD13 LEU B 134 -5.192 8.602 -17.680 1.00 13.41 H new ATOM 0 HD21 LEU B 134 -7.037 7.722 -15.346 1.00 44.03 H new ATOM 0 HD22 LEU B 134 -7.070 6.831 -16.886 1.00 44.03 H new ATOM 0 HD23 LEU B 134 -6.751 5.965 -15.364 1.00 44.03 H new