USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 740 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 95 GLN :FLIP amide:sc= 0.699 F(o=-2.2,f=1.7) USER MOD Set 1.2: A 98 LYS NZ :NH3+ 141:sc= 1.03 (180deg=0) USER MOD Set 2.1: A 65 LYS NZ :NH3+ -137:sc= -1.56 (180deg=-4.44!) USER MOD Set 2.2: A 71 MET CE :methyl -151:sc= -2.02 (180deg=-4.03!) USER MOD Single : A 16 GLN : amide:sc= -0.217 K(o=-0.22,f=-1.4!) USER MOD Single : A 20 SER OG : rot -150:sc= -0.191 USER MOD Single : A 23 LYS NZ :NH3+ -130:sc= -0.0468 (180deg=-1.31) USER MOD Single : A 26 THR OG1 : rot 180:sc= -1.23 USER MOD Single : A 28 LYS NZ :NH3+ -174:sc= 0.943 (180deg=0.786) USER MOD Single : A 29 LYS NZ :NH3+ 150:sc= 0 (180deg=-8e-05) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -1.77 K(o=-1.8,f=-6.6!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -157:sc= -0.19 (180deg=-0.791) USER MOD Single : A 45 LYS NZ :NH3+ -148:sc= -0.378 (180deg=-2.38!) USER MOD Single : A 49 ASN : amide:sc= 0.481 X(o=0.48,f=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -6.33! C(o=-6.3!,f=-14!) USER MOD Single : A 58 SER OG : rot 75:sc= 0.46 USER MOD Single : A 63 MET CE :methyl 145:sc= -6.33! (180deg=-8.69!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot -51:sc= 0.0742 USER MOD Single : A 69 THR OG1 : rot -81:sc= 1.06 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -1.45 K(o=-1.4,f=-2.2) USER MOD Single : A 77 GLN : amide:sc= -0.449 K(o=-0.45,f=-3!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.185) USER MOD Single : A 86 SER OG : rot -98:sc= -0.0943 USER MOD Single : A 87 SER OG : rot -66:sc= -0.225 USER MOD Single : A 92 SER OG : rot 86:sc= 0.0121 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 138:sc= 1.01 (180deg=-0.796) USER MOD Single : A 99 GLN : amide:sc= -1.42! C(o=-1.4!,f=-2.1!) USER MOD Single : A 100 GLN : amide:sc= -0.264 X(o=-0.26,f=-0.035) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 16 -4.151 -26.000 0.356 1.00 0.00 N ATOM 2 CA GLN A 16 -3.282 -24.905 -0.058 1.00 0.00 C ATOM 3 C GLN A 16 -4.102 -23.734 -0.592 1.00 0.00 C ATOM 4 O GLN A 16 -4.101 -23.457 -1.791 1.00 0.00 O ATOM 5 CB GLN A 16 -2.299 -25.385 -1.127 1.00 0.00 C ATOM 6 CG GLN A 16 -2.960 -26.151 -2.262 1.00 0.00 C ATOM 7 CD GLN A 16 -2.532 -25.654 -3.629 1.00 0.00 C ATOM 8 OE1 GLN A 16 -2.185 -24.485 -3.797 1.00 0.00 O ATOM 9 NE2 GLN A 16 -2.553 -26.543 -4.615 1.00 0.00 N ATOM 0 HA GLN A 16 -2.723 -24.566 0.814 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -1.774 -24.523 -1.539 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.548 -26.022 -0.659 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.716 -27.209 -2.172 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.043 -26.065 -2.171 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.848 -27.502 -4.431 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.274 -26.267 -5.557 1.00 0.00 H new ATOM 18 N GLY A 17 -4.802 -23.051 0.308 1.00 0.00 N ATOM 19 CA GLY A 17 -5.617 -21.919 -0.093 1.00 0.00 C ATOM 20 C GLY A 17 -5.934 -20.992 1.067 1.00 0.00 C ATOM 21 O GLY A 17 -5.136 -20.115 1.395 1.00 0.00 O ATOM 0 H GLY A 17 -4.820 -23.261 1.306 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.098 -21.359 -0.870 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.548 -22.282 -0.529 1.00 0.00 H new ATOM 25 N PRO A 18 -7.102 -21.161 1.712 1.00 0.00 N ATOM 26 CA PRO A 18 -7.507 -20.321 2.844 1.00 0.00 C ATOM 27 C PRO A 18 -6.445 -20.269 3.935 1.00 0.00 C ATOM 28 O PRO A 18 -5.590 -21.150 4.028 1.00 0.00 O ATOM 29 CB PRO A 18 -8.773 -21.008 3.363 1.00 0.00 C ATOM 30 CG PRO A 18 -9.313 -21.747 2.189 1.00 0.00 C ATOM 31 CD PRO A 18 -8.117 -22.183 1.390 1.00 0.00 C ATOM 0 HA PRO A 18 -7.661 -19.284 2.546 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.546 -21.685 4.187 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.493 -20.280 3.738 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.905 -22.606 2.507 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.969 -21.110 1.595 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.786 -23.182 1.674 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.335 -22.211 0.322 1.00 0.00 H new ATOM 39 N GLY A 19 -6.504 -19.229 4.761 1.00 0.00 N ATOM 40 CA GLY A 19 -5.542 -19.080 5.836 1.00 0.00 C ATOM 41 C GLY A 19 -4.535 -17.980 5.565 1.00 0.00 C ATOM 42 O GLY A 19 -4.191 -17.209 6.461 1.00 0.00 O ATOM 0 H GLY A 19 -7.201 -18.487 4.704 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -6.070 -18.864 6.765 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.015 -20.023 5.981 1.00 0.00 H new ATOM 46 N SER A 20 -4.061 -17.907 4.326 1.00 0.00 N ATOM 47 CA SER A 20 -3.087 -16.893 3.938 1.00 0.00 C ATOM 48 C SER A 20 -3.764 -15.741 3.203 1.00 0.00 C ATOM 49 O SER A 20 -3.317 -14.597 3.275 1.00 0.00 O ATOM 50 CB SER A 20 -2.003 -17.511 3.053 1.00 0.00 C ATOM 51 OG SER A 20 -0.903 -17.955 3.827 1.00 0.00 O ATOM 0 H SER A 20 -4.335 -18.538 3.573 1.00 0.00 H new ATOM 0 HA SER A 20 -2.627 -16.501 4.845 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.420 -18.349 2.494 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.664 -16.777 2.322 1.00 0.00 H new ATOM 0 HG SER A 20 -0.083 -17.894 3.294 1.00 0.00 H new ATOM 57 N LEU A 21 -4.847 -16.051 2.496 1.00 0.00 N ATOM 58 CA LEU A 21 -5.587 -15.041 1.748 1.00 0.00 C ATOM 59 C LEU A 21 -6.239 -14.033 2.688 1.00 0.00 C ATOM 60 O LEU A 21 -6.379 -12.857 2.354 1.00 0.00 O ATOM 61 CB LEU A 21 -6.657 -15.703 0.874 1.00 0.00 C ATOM 62 CG LEU A 21 -6.178 -16.906 0.061 1.00 0.00 C ATOM 63 CD1 LEU A 21 -7.229 -18.005 0.060 1.00 0.00 C ATOM 64 CD2 LEU A 21 -5.845 -16.487 -1.363 1.00 0.00 C ATOM 0 H LEU A 21 -5.231 -16.993 2.426 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.880 -14.511 1.109 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.480 -16.021 1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.056 -14.956 0.188 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.274 -17.297 0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.869 -18.852 -0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.421 -18.325 1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.151 -17.626 -0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.506 -17.355 -1.928 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.734 -16.070 -1.837 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.057 -15.735 -1.346 1.00 0.00 H new ATOM 76 N VAL A 22 -6.642 -14.502 3.865 1.00 0.00 N ATOM 77 CA VAL A 22 -7.285 -13.642 4.850 1.00 0.00 C ATOM 78 C VAL A 22 -6.364 -12.501 5.278 1.00 0.00 C ATOM 79 O VAL A 22 -6.767 -11.339 5.282 1.00 0.00 O ATOM 80 CB VAL A 22 -7.724 -14.440 6.095 1.00 0.00 C ATOM 81 CG1 VAL A 22 -6.526 -15.091 6.769 1.00 0.00 C ATOM 82 CG2 VAL A 22 -8.472 -13.542 7.070 1.00 0.00 C ATOM 0 H VAL A 22 -6.534 -15.473 4.159 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.170 -13.222 4.371 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.401 -15.231 5.773 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.859 -15.648 7.644 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.040 -15.771 6.069 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.819 -14.321 7.077 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.774 -14.123 7.942 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.822 -12.726 7.385 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.357 -13.133 6.583 1.00 0.00 H new ATOM 92 N LYS A 23 -5.126 -12.837 5.633 1.00 0.00 N ATOM 93 CA LYS A 23 -4.156 -11.832 6.056 1.00 0.00 C ATOM 94 C LYS A 23 -3.835 -10.881 4.912 1.00 0.00 C ATOM 95 O LYS A 23 -3.824 -9.663 5.088 1.00 0.00 O ATOM 96 CB LYS A 23 -2.877 -12.506 6.560 1.00 0.00 C ATOM 97 CG LYS A 23 -2.444 -12.036 7.938 1.00 0.00 C ATOM 98 CD LYS A 23 -1.726 -13.136 8.702 1.00 0.00 C ATOM 99 CE LYS A 23 -2.670 -14.273 9.065 1.00 0.00 C ATOM 100 NZ LYS A 23 -2.479 -15.457 8.184 1.00 0.00 N ATOM 0 H LYS A 23 -4.773 -13.794 5.636 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.593 -11.255 6.871 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.030 -13.585 6.585 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.072 -12.315 5.851 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.787 -11.172 7.839 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.317 -11.709 8.503 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.905 -13.523 8.099 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.287 -12.723 9.610 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.507 -14.563 10.103 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.701 -13.927 8.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.400 -15.766 7.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.855 -15.203 7.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.048 -16.230 8.730 1.00 0.00 H new ATOM 114 N VAL A 24 -3.586 -11.445 3.737 1.00 0.00 N ATOM 115 CA VAL A 24 -3.281 -10.644 2.559 1.00 0.00 C ATOM 116 C VAL A 24 -4.408 -9.655 2.289 1.00 0.00 C ATOM 117 O VAL A 24 -4.168 -8.492 1.957 1.00 0.00 O ATOM 118 CB VAL A 24 -3.068 -11.528 1.315 1.00 0.00 C ATOM 119 CG1 VAL A 24 -2.658 -10.682 0.119 1.00 0.00 C ATOM 120 CG2 VAL A 24 -2.029 -12.604 1.596 1.00 0.00 C ATOM 0 H VAL A 24 -3.589 -12.452 3.575 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.356 -10.103 2.760 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.012 -12.018 1.076 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.513 -11.325 -0.749 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.440 -9.953 -0.096 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.728 -10.160 0.344 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.892 -13.219 0.706 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.082 -12.135 1.862 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.368 -13.231 2.421 1.00 0.00 H new ATOM 130 N GLY A 25 -5.640 -10.122 2.458 1.00 0.00 N ATOM 131 CA GLY A 25 -6.789 -9.265 2.252 1.00 0.00 C ATOM 132 C GLY A 25 -6.830 -8.142 3.266 1.00 0.00 C ATOM 133 O GLY A 25 -7.110 -6.992 2.923 1.00 0.00 O ATOM 0 H GLY A 25 -5.862 -11.079 2.734 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.757 -8.847 1.246 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.702 -9.855 2.324 1.00 0.00 H new ATOM 137 N THR A 26 -6.529 -8.474 4.520 1.00 0.00 N ATOM 138 CA THR A 26 -6.515 -7.484 5.587 1.00 0.00 C ATOM 139 C THR A 26 -5.534 -6.367 5.249 1.00 0.00 C ATOM 140 O THR A 26 -5.755 -5.202 5.584 1.00 0.00 O ATOM 141 CB THR A 26 -6.140 -8.133 6.919 1.00 0.00 C ATOM 142 OG1 THR A 26 -6.349 -9.533 6.874 1.00 0.00 O ATOM 143 CG2 THR A 26 -6.929 -7.591 8.092 1.00 0.00 C ATOM 0 H THR A 26 -6.292 -9.420 4.819 1.00 0.00 H new ATOM 0 HA THR A 26 -7.515 -7.061 5.682 1.00 0.00 H new ATOM 0 HB THR A 26 -5.087 -7.896 7.067 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.101 -9.929 7.736 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.614 -8.094 9.006 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.750 -6.520 8.187 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.992 -7.768 7.928 1.00 0.00 H new ATOM 151 N LEU A 27 -4.453 -6.725 4.559 1.00 0.00 N ATOM 152 CA LEU A 27 -3.458 -5.745 4.154 1.00 0.00 C ATOM 153 C LEU A 27 -4.054 -4.814 3.112 1.00 0.00 C ATOM 154 O LEU A 27 -3.921 -3.594 3.208 1.00 0.00 O ATOM 155 CB LEU A 27 -2.206 -6.432 3.605 1.00 0.00 C ATOM 156 CG LEU A 27 -0.931 -5.587 3.649 1.00 0.00 C ATOM 157 CD1 LEU A 27 -0.564 -5.244 5.086 1.00 0.00 C ATOM 158 CD2 LEU A 27 0.216 -6.314 2.960 1.00 0.00 C ATOM 0 H LEU A 27 -4.248 -7.682 4.272 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.164 -5.163 5.028 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.036 -7.348 4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.394 -6.725 2.572 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.117 -4.656 3.113 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.345 -4.643 5.096 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.377 -4.680 5.544 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.398 -6.163 5.648 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.114 -5.698 3.001 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.402 -7.261 3.466 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.046 -6.504 1.919 1.00 0.00 H new ATOM 170 N LYS A 28 -4.747 -5.391 2.132 1.00 0.00 N ATOM 171 CA LYS A 28 -5.398 -4.592 1.102 1.00 0.00 C ATOM 172 C LYS A 28 -6.272 -3.544 1.777 1.00 0.00 C ATOM 173 O LYS A 28 -6.411 -2.417 1.298 1.00 0.00 O ATOM 174 CB LYS A 28 -6.244 -5.480 0.185 1.00 0.00 C ATOM 175 CG LYS A 28 -5.425 -6.456 -0.642 1.00 0.00 C ATOM 176 CD LYS A 28 -6.289 -7.185 -1.659 1.00 0.00 C ATOM 177 CE LYS A 28 -5.572 -7.346 -2.988 1.00 0.00 C ATOM 178 NZ LYS A 28 -6.000 -6.319 -3.980 1.00 0.00 N ATOM 0 H LYS A 28 -4.870 -6.399 2.032 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.642 -4.103 0.488 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.956 -6.039 0.791 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.824 -4.846 -0.486 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.629 -5.919 -1.158 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.946 -7.181 0.017 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.560 -8.166 -1.270 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.217 -6.634 -1.810 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.496 -7.272 -2.831 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.768 -8.341 -3.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.565 -6.525 -4.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.036 -6.337 -4.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.698 -5.378 -3.657 1.00 0.00 H new ATOM 192 N LYS A 29 -6.832 -3.931 2.922 1.00 0.00 N ATOM 193 CA LYS A 29 -7.666 -3.046 3.715 1.00 0.00 C ATOM 194 C LYS A 29 -6.843 -1.867 4.209 1.00 0.00 C ATOM 195 O LYS A 29 -7.257 -0.712 4.099 1.00 0.00 O ATOM 196 CB LYS A 29 -8.240 -3.807 4.894 1.00 0.00 C ATOM 197 CG LYS A 29 -8.859 -5.125 4.492 1.00 0.00 C ATOM 198 CD LYS A 29 -10.024 -5.457 5.385 1.00 0.00 C ATOM 199 CE LYS A 29 -10.417 -6.923 5.286 1.00 0.00 C ATOM 200 NZ LYS A 29 -10.813 -7.483 6.608 1.00 0.00 N ATOM 0 H LYS A 29 -6.718 -4.863 3.320 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.484 -2.673 3.098 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.450 -3.989 5.623 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.993 -3.192 5.386 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.191 -5.076 3.455 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.112 -5.917 4.550 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.769 -5.219 6.418 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.877 -4.834 5.115 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.244 -7.030 4.584 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.581 -7.496 4.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.516 -8.237 6.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.975 -7.874 7.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.225 -6.730 7.195 1.00 0.00 H new ATOM 214 N ARG A 30 -5.661 -2.170 4.747 1.00 0.00 N ATOM 215 CA ARG A 30 -4.765 -1.136 5.247 1.00 0.00 C ATOM 216 C ARG A 30 -4.356 -0.195 4.118 1.00 0.00 C ATOM 217 O ARG A 30 -4.145 0.999 4.333 1.00 0.00 O ATOM 218 CB ARG A 30 -3.525 -1.774 5.878 1.00 0.00 C ATOM 219 CG ARG A 30 -2.602 -0.773 6.555 1.00 0.00 C ATOM 220 CD ARG A 30 -1.581 -1.472 7.440 1.00 0.00 C ATOM 221 NE ARG A 30 -0.756 -0.522 8.180 1.00 0.00 N ATOM 222 CZ ARG A 30 0.418 -0.827 8.727 1.00 0.00 C ATOM 223 NH1 ARG A 30 0.908 -2.058 8.621 1.00 0.00 N ATOM 224 NH2 ARG A 30 1.106 0.097 9.382 1.00 0.00 N ATOM 0 H ARG A 30 -5.306 -3.121 4.846 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.290 -0.558 6.008 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.842 -2.516 6.611 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.968 -2.305 5.106 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.086 -0.182 5.799 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.192 -0.079 7.155 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.098 -2.127 8.142 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.941 -2.105 6.825 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.100 0.433 8.284 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.384 -2.774 8.118 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.808 -2.287 9.042 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.736 1.044 9.467 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.006 -0.138 9.801 1.00 0.00 H new ATOM 238 N LEU A 31 -4.260 -0.741 2.909 1.00 0.00 N ATOM 239 CA LEU A 31 -3.891 0.051 1.743 1.00 0.00 C ATOM 240 C LEU A 31 -4.934 1.133 1.488 1.00 0.00 C ATOM 241 O LEU A 31 -4.602 2.310 1.346 1.00 0.00 O ATOM 242 CB LEU A 31 -3.747 -0.845 0.510 1.00 0.00 C ATOM 243 CG LEU A 31 -2.308 -1.210 0.144 1.00 0.00 C ATOM 244 CD1 LEU A 31 -1.749 -2.228 1.125 1.00 0.00 C ATOM 245 CD2 LEU A 31 -2.239 -1.745 -1.279 1.00 0.00 C ATOM 0 H LEU A 31 -4.433 -1.727 2.713 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.931 0.528 1.939 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.308 -1.764 0.679 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.207 -0.343 -0.341 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.699 -0.308 0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.724 -2.475 0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.762 -1.809 2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.359 -3.131 1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.207 -2.000 -1.522 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.862 -2.635 -1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.598 -0.984 -1.972 1.00 0.00 H new ATOM 257 N ASP A 32 -6.202 0.728 1.447 1.00 0.00 N ATOM 258 CA ASP A 32 -7.294 1.668 1.225 1.00 0.00 C ATOM 259 C ASP A 32 -7.278 2.746 2.302 1.00 0.00 C ATOM 260 O ASP A 32 -7.543 3.919 2.033 1.00 0.00 O ATOM 261 CB ASP A 32 -8.638 0.939 1.232 1.00 0.00 C ATOM 262 CG ASP A 32 -9.801 1.867 0.942 1.00 0.00 C ATOM 263 OD1 ASP A 32 -9.742 2.593 -0.074 1.00 0.00 O ATOM 264 OD2 ASP A 32 -10.770 1.871 1.730 1.00 0.00 O ATOM 0 H ASP A 32 -6.496 -0.242 1.564 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.159 2.136 0.250 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.619 0.141 0.489 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.787 0.467 2.203 1.00 0.00 H new ATOM 269 N LYS A 33 -6.951 2.337 3.525 1.00 0.00 N ATOM 270 CA LYS A 33 -6.879 3.263 4.648 1.00 0.00 C ATOM 271 C LYS A 33 -5.882 4.376 4.345 1.00 0.00 C ATOM 272 O LYS A 33 -6.146 5.549 4.610 1.00 0.00 O ATOM 273 CB LYS A 33 -6.475 2.514 5.922 1.00 0.00 C ATOM 274 CG LYS A 33 -6.182 3.424 7.105 1.00 0.00 C ATOM 275 CD LYS A 33 -7.452 4.049 7.657 1.00 0.00 C ATOM 276 CE LYS A 33 -7.175 5.392 8.315 1.00 0.00 C ATOM 277 NZ LYS A 33 -8.409 5.997 8.886 1.00 0.00 N ATOM 0 H LYS A 33 -6.732 1.369 3.762 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.861 3.709 4.804 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.274 1.825 6.195 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.592 1.911 5.713 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.686 2.853 7.890 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.492 4.210 6.798 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.174 4.180 6.851 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.905 3.374 8.383 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.435 5.263 9.105 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.743 6.073 7.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.177 6.911 9.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.106 6.144 8.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.808 5.359 9.604 1.00 0.00 H new ATOM 291 N PHE A 34 -4.742 4.000 3.775 1.00 0.00 N ATOM 292 CA PHE A 34 -3.712 4.967 3.424 1.00 0.00 C ATOM 293 C PHE A 34 -4.242 5.949 2.386 1.00 0.00 C ATOM 294 O PHE A 34 -4.007 7.153 2.477 1.00 0.00 O ATOM 295 CB PHE A 34 -2.467 4.256 2.886 1.00 0.00 C ATOM 296 CG PHE A 34 -1.783 3.363 3.887 1.00 0.00 C ATOM 297 CD1 PHE A 34 -2.102 3.421 5.238 1.00 0.00 C ATOM 298 CD2 PHE A 34 -0.814 2.461 3.473 1.00 0.00 C ATOM 299 CE1 PHE A 34 -1.469 2.599 6.151 1.00 0.00 C ATOM 300 CE2 PHE A 34 -0.178 1.638 4.382 1.00 0.00 C ATOM 301 CZ PHE A 34 -0.505 1.707 5.723 1.00 0.00 C ATOM 0 H PHE A 34 -4.510 3.033 3.547 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.437 5.517 4.324 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.750 3.660 2.018 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.756 5.006 2.540 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.854 4.117 5.579 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.553 2.401 2.427 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.728 2.654 7.198 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.575 0.941 4.045 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.008 1.065 6.435 1.00 0.00 H new ATOM 311 N ASN A 35 -4.969 5.423 1.401 1.00 0.00 N ATOM 312 CA ASN A 35 -5.544 6.253 0.347 1.00 0.00 C ATOM 313 C ASN A 35 -6.361 7.391 0.945 1.00 0.00 C ATOM 314 O ASN A 35 -6.233 8.545 0.535 1.00 0.00 O ATOM 315 CB ASN A 35 -6.425 5.408 -0.576 1.00 0.00 C ATOM 316 CG ASN A 35 -5.613 4.562 -1.536 1.00 0.00 C ATOM 317 OD1 ASN A 35 -4.538 4.965 -1.983 1.00 0.00 O ATOM 318 ND2 ASN A 35 -6.124 3.380 -1.861 1.00 0.00 N ATOM 0 H ASN A 35 -5.173 4.427 1.312 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.727 6.678 -0.235 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.061 4.759 0.027 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.085 6.064 -1.143 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.623 2.767 -2.504 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -7.018 3.085 -1.468 1.00 0.00 H new ATOM 325 N GLU A 36 -7.196 7.061 1.926 1.00 0.00 N ATOM 326 CA GLU A 36 -8.027 8.058 2.589 1.00 0.00 C ATOM 327 C GLU A 36 -7.159 9.128 3.242 1.00 0.00 C ATOM 328 O GLU A 36 -7.319 10.323 2.980 1.00 0.00 O ATOM 329 CB GLU A 36 -8.920 7.395 3.641 1.00 0.00 C ATOM 330 CG GLU A 36 -10.190 8.173 3.940 1.00 0.00 C ATOM 331 CD GLU A 36 -11.154 7.400 4.818 1.00 0.00 C ATOM 332 OE1 GLU A 36 -10.688 6.548 5.604 1.00 0.00 O ATOM 333 OE2 GLU A 36 -12.374 7.645 4.719 1.00 0.00 O ATOM 0 H GLU A 36 -7.314 6.111 2.278 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.660 8.531 1.838 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.188 6.395 3.299 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.352 7.275 4.564 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.930 9.111 4.430 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.684 8.429 3.003 1.00 0.00 H new ATOM 340 N VAL A 37 -6.230 8.687 4.081 1.00 0.00 N ATOM 341 CA VAL A 37 -5.323 9.600 4.767 1.00 0.00 C ATOM 342 C VAL A 37 -4.572 10.465 3.761 1.00 0.00 C ATOM 343 O VAL A 37 -4.338 11.650 3.997 1.00 0.00 O ATOM 344 CB VAL A 37 -4.305 8.836 5.636 1.00 0.00 C ATOM 345 CG1 VAL A 37 -3.461 9.805 6.450 1.00 0.00 C ATOM 346 CG2 VAL A 37 -5.015 7.842 6.545 1.00 0.00 C ATOM 0 H VAL A 37 -6.084 7.702 4.303 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.930 10.233 5.414 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.641 8.278 4.976 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.749 9.246 7.057 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.921 10.471 5.777 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.108 10.394 7.100 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.279 7.313 7.150 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.706 8.375 7.198 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.569 7.125 5.938 1.00 0.00 H new ATOM 356 N VAL A 38 -4.206 9.861 2.636 1.00 0.00 N ATOM 357 CA VAL A 38 -3.491 10.571 1.584 1.00 0.00 C ATOM 358 C VAL A 38 -4.432 11.509 0.835 1.00 0.00 C ATOM 359 O VAL A 38 -4.030 12.582 0.389 1.00 0.00 O ATOM 360 CB VAL A 38 -2.846 9.593 0.584 1.00 0.00 C ATOM 361 CG1 VAL A 38 -2.025 10.348 -0.453 1.00 0.00 C ATOM 362 CG2 VAL A 38 -1.984 8.576 1.318 1.00 0.00 C ATOM 0 H VAL A 38 -4.393 8.880 2.430 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.702 11.152 2.063 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.640 9.058 0.063 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.578 9.639 -1.150 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.672 11.035 -0.999 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.237 10.911 0.047 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.535 7.892 0.598 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.197 9.094 1.866 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.602 8.012 2.017 1.00 0.00 H new ATOM 372 N SER A 39 -5.689 11.096 0.708 1.00 0.00 N ATOM 373 CA SER A 39 -6.687 11.905 0.020 1.00 0.00 C ATOM 374 C SER A 39 -6.877 13.235 0.739 1.00 0.00 C ATOM 375 O SER A 39 -7.147 14.259 0.113 1.00 0.00 O ATOM 376 CB SER A 39 -8.020 11.156 -0.056 1.00 0.00 C ATOM 377 OG SER A 39 -9.084 12.037 -0.372 1.00 0.00 O ATOM 0 H SER A 39 -6.039 10.209 1.071 1.00 0.00 H new ATOM 0 HA SER A 39 -6.335 12.099 -0.993 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.957 10.372 -0.810 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.220 10.666 0.897 1.00 0.00 H new ATOM 0 HG SER A 39 -9.924 11.533 -0.416 1.00 0.00 H new ATOM 383 N ALA A 40 -6.730 13.208 2.061 1.00 0.00 N ATOM 384 CA ALA A 40 -6.879 14.411 2.871 1.00 0.00 C ATOM 385 C ALA A 40 -5.652 15.310 2.755 1.00 0.00 C ATOM 386 O ALA A 40 -5.748 16.528 2.914 1.00 0.00 O ATOM 387 CB ALA A 40 -7.127 14.038 4.325 1.00 0.00 C ATOM 0 H ALA A 40 -6.508 12.366 2.593 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.738 14.967 2.496 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.237 14.945 4.920 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.038 13.444 4.398 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.284 13.457 4.701 1.00 0.00 H new ATOM 393 N LEU A 41 -4.500 14.706 2.475 1.00 0.00 N ATOM 394 CA LEU A 41 -3.255 15.458 2.340 1.00 0.00 C ATOM 395 C LEU A 41 -3.361 16.492 1.222 1.00 0.00 C ATOM 396 O LEU A 41 -2.963 17.644 1.393 1.00 0.00 O ATOM 397 CB LEU A 41 -2.087 14.508 2.060 1.00 0.00 C ATOM 398 CG LEU A 41 -1.457 13.868 3.298 1.00 0.00 C ATOM 399 CD1 LEU A 41 -0.514 12.744 2.896 1.00 0.00 C ATOM 400 CD2 LEU A 41 -0.722 14.915 4.123 1.00 0.00 C ATOM 0 H LEU A 41 -4.402 13.700 2.337 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.073 15.981 3.279 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.435 13.715 1.398 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.314 15.057 1.521 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.253 13.445 3.911 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.075 12.300 3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.069 11.982 2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.278 13.143 2.262 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.280 14.442 5.000 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.065 15.368 3.519 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.424 15.686 4.441 1.00 0.00 H new ATOM 412 N LYS A 42 -3.896 16.070 0.079 1.00 0.00 N ATOM 413 CA LYS A 42 -4.056 16.956 -1.072 1.00 0.00 C ATOM 414 C LYS A 42 -2.705 17.436 -1.601 1.00 0.00 C ATOM 415 O LYS A 42 -2.638 18.386 -2.381 1.00 0.00 O ATOM 416 CB LYS A 42 -4.914 18.162 -0.698 1.00 0.00 C ATOM 417 CG LYS A 42 -6.408 17.898 -0.788 1.00 0.00 C ATOM 418 CD LYS A 42 -6.989 17.533 0.568 1.00 0.00 C ATOM 419 CE LYS A 42 -8.508 17.561 0.551 1.00 0.00 C ATOM 420 NZ LYS A 42 -9.036 18.874 0.086 1.00 0.00 N ATOM 0 H LYS A 42 -4.227 15.118 -0.075 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.550 16.386 -1.858 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.669 18.471 0.318 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.661 18.995 -1.354 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.913 18.783 -1.176 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.594 17.090 -1.495 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.646 16.539 0.856 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.620 18.228 1.322 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.878 16.770 -0.101 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.886 17.352 1.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.005 19.004 0.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.429 19.639 0.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.043 18.897 -0.954 1.00 0.00 H new ATOM 434 N ASP A 43 -1.634 16.778 -1.175 1.00 0.00 N ATOM 435 CA ASP A 43 -0.291 17.144 -1.608 1.00 0.00 C ATOM 436 C ASP A 43 0.504 15.908 -2.020 1.00 0.00 C ATOM 437 O ASP A 43 0.504 14.895 -1.320 1.00 0.00 O ATOM 438 CB ASP A 43 0.441 17.886 -0.489 1.00 0.00 C ATOM 439 CG ASP A 43 1.586 18.734 -1.005 1.00 0.00 C ATOM 440 OD1 ASP A 43 1.322 19.852 -1.498 1.00 0.00 O ATOM 441 OD2 ASP A 43 2.747 18.282 -0.919 1.00 0.00 O ATOM 0 H ASP A 43 -1.669 15.988 -0.530 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.380 17.801 -2.473 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.266 18.522 0.044 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.825 17.163 0.231 1.00 0.00 H new ATOM 446 N GLY A 44 1.182 15.998 -3.161 1.00 0.00 N ATOM 447 CA GLY A 44 1.972 14.882 -3.646 1.00 0.00 C ATOM 448 C GLY A 44 1.139 13.632 -3.863 1.00 0.00 C ATOM 449 O GLY A 44 1.271 12.656 -3.126 1.00 0.00 O ATOM 0 H GLY A 44 1.198 16.825 -3.758 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.453 15.162 -4.583 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.767 14.666 -2.932 1.00 0.00 H new ATOM 453 N LYS A 45 0.280 13.665 -4.876 1.00 0.00 N ATOM 454 CA LYS A 45 -0.580 12.528 -5.188 1.00 0.00 C ATOM 455 C LYS A 45 0.152 11.485 -6.034 1.00 0.00 C ATOM 456 O LYS A 45 0.033 10.285 -5.785 1.00 0.00 O ATOM 457 CB LYS A 45 -1.842 12.997 -5.916 1.00 0.00 C ATOM 458 CG LYS A 45 -2.578 14.117 -5.198 1.00 0.00 C ATOM 459 CD LYS A 45 -3.520 13.573 -4.134 1.00 0.00 C ATOM 460 CE LYS A 45 -3.119 14.035 -2.741 1.00 0.00 C ATOM 461 NZ LYS A 45 -1.996 13.226 -2.190 1.00 0.00 N ATOM 0 H LYS A 45 0.160 14.467 -5.495 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.862 12.061 -4.244 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.570 13.335 -6.916 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.517 12.150 -6.038 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.856 14.791 -4.736 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.144 14.704 -5.921 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.538 13.900 -4.347 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.521 12.484 -4.170 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.827 15.085 -2.776 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.978 13.965 -2.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.091 13.159 -1.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.020 12.272 -2.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.091 13.682 -2.426 1.00 0.00 H new ATOM 475 N PRO A 46 0.923 11.919 -7.051 1.00 0.00 N ATOM 476 CA PRO A 46 1.661 10.999 -7.923 1.00 0.00 C ATOM 477 C PRO A 46 2.546 10.037 -7.136 1.00 0.00 C ATOM 478 O PRO A 46 2.518 8.827 -7.364 1.00 0.00 O ATOM 479 CB PRO A 46 2.519 11.930 -8.784 1.00 0.00 C ATOM 480 CG PRO A 46 1.790 13.228 -8.784 1.00 0.00 C ATOM 481 CD PRO A 46 1.131 13.329 -7.437 1.00 0.00 C ATOM 0 HA PRO A 46 0.990 10.362 -8.500 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.521 12.039 -8.370 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.633 11.540 -9.796 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.474 14.061 -8.948 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.051 13.261 -9.584 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.762 13.853 -6.719 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.189 13.874 -7.491 1.00 0.00 H new ATOM 489 N GLU A 47 3.328 10.580 -6.209 1.00 0.00 N ATOM 490 CA GLU A 47 4.221 9.765 -5.388 1.00 0.00 C ATOM 491 C GLU A 47 3.450 8.666 -4.664 1.00 0.00 C ATOM 492 O GLU A 47 3.856 7.503 -4.660 1.00 0.00 O ATOM 493 CB GLU A 47 4.964 10.640 -4.374 1.00 0.00 C ATOM 494 CG GLU A 47 4.096 11.712 -3.730 1.00 0.00 C ATOM 495 CD GLU A 47 4.609 13.115 -3.995 1.00 0.00 C ATOM 496 OE1 GLU A 47 4.607 13.533 -5.173 1.00 0.00 O ATOM 497 OE2 GLU A 47 5.009 13.793 -3.027 1.00 0.00 O ATOM 0 H GLU A 47 3.363 11.579 -6.006 1.00 0.00 H new ATOM 0 HA GLU A 47 4.948 9.295 -6.050 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.376 10.002 -3.592 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.807 11.120 -4.872 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.077 11.624 -4.107 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.053 11.542 -2.654 1.00 0.00 H new ATOM 504 N VAL A 48 2.334 9.041 -4.055 1.00 0.00 N ATOM 505 CA VAL A 48 1.501 8.092 -3.329 1.00 0.00 C ATOM 506 C VAL A 48 0.887 7.069 -4.271 1.00 0.00 C ATOM 507 O VAL A 48 1.050 5.872 -4.084 1.00 0.00 O ATOM 508 CB VAL A 48 0.373 8.809 -2.561 1.00 0.00 C ATOM 509 CG1 VAL A 48 -0.301 7.854 -1.590 1.00 0.00 C ATOM 510 CG2 VAL A 48 0.907 10.034 -1.829 1.00 0.00 C ATOM 0 H VAL A 48 1.983 9.999 -4.049 1.00 0.00 H new ATOM 0 HA VAL A 48 2.149 7.582 -2.616 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.370 9.146 -3.284 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.095 8.377 -1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.726 7.015 -2.141 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.434 7.484 -0.875 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.092 10.523 -1.295 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.674 9.727 -1.118 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.337 10.730 -2.550 1.00 0.00 H new ATOM 520 N ASN A 49 0.178 7.542 -5.282 1.00 0.00 N ATOM 521 CA ASN A 49 -0.463 6.650 -6.238 1.00 0.00 C ATOM 522 C ASN A 49 0.528 5.652 -6.842 1.00 0.00 C ATOM 523 O ASN A 49 0.166 4.514 -7.130 1.00 0.00 O ATOM 524 CB ASN A 49 -1.137 7.455 -7.349 1.00 0.00 C ATOM 525 CG ASN A 49 -2.495 7.986 -6.937 1.00 0.00 C ATOM 526 OD1 ASN A 49 -3.483 7.252 -6.916 1.00 0.00 O ATOM 527 ND2 ASN A 49 -2.552 9.272 -6.607 1.00 0.00 N ATOM 0 H ASN A 49 0.031 8.535 -5.463 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.218 6.081 -5.695 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -0.494 8.289 -7.630 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.249 6.826 -8.232 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.439 9.687 -6.322 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -1.708 9.844 -6.638 1.00 0.00 H new ATOM 534 N ARG A 50 1.771 6.082 -7.047 1.00 0.00 N ATOM 535 CA ARG A 50 2.787 5.206 -7.633 1.00 0.00 C ATOM 536 C ARG A 50 3.280 4.157 -6.638 1.00 0.00 C ATOM 537 O ARG A 50 3.569 3.021 -7.017 1.00 0.00 O ATOM 538 CB ARG A 50 3.970 6.024 -8.165 1.00 0.00 C ATOM 539 CG ARG A 50 4.794 6.705 -7.085 1.00 0.00 C ATOM 540 CD ARG A 50 6.240 6.883 -7.520 1.00 0.00 C ATOM 541 NE ARG A 50 6.428 8.088 -8.326 1.00 0.00 N ATOM 542 CZ ARG A 50 6.871 9.249 -7.845 1.00 0.00 C ATOM 543 NH1 ARG A 50 7.178 9.378 -6.559 1.00 0.00 N ATOM 544 NH2 ARG A 50 7.009 10.289 -8.656 1.00 0.00 N ATOM 0 H ARG A 50 2.098 7.021 -6.819 1.00 0.00 H new ATOM 0 HA ARG A 50 2.315 4.681 -8.464 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.621 5.367 -8.742 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.593 6.783 -8.851 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.360 7.678 -6.853 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.758 6.113 -6.170 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.879 6.934 -6.639 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.556 6.011 -8.093 1.00 0.00 H new ATOM 0 HE ARG A 50 6.206 8.037 -9.320 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.076 8.583 -5.928 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.516 10.272 -6.203 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.776 10.199 -9.645 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.348 11.179 -8.291 1.00 0.00 H new ATOM 558 N GLN A 51 3.365 4.531 -5.365 1.00 0.00 N ATOM 559 CA GLN A 51 3.818 3.604 -4.336 1.00 0.00 C ATOM 560 C GLN A 51 2.672 2.702 -3.927 1.00 0.00 C ATOM 561 O GLN A 51 2.807 1.481 -3.857 1.00 0.00 O ATOM 562 CB GLN A 51 4.353 4.365 -3.122 1.00 0.00 C ATOM 563 CG GLN A 51 5.755 4.920 -3.320 1.00 0.00 C ATOM 564 CD GLN A 51 6.352 5.468 -2.038 1.00 0.00 C ATOM 565 OE1 GLN A 51 7.411 5.026 -1.595 1.00 0.00 O ATOM 566 NE2 GLN A 51 5.672 6.436 -1.435 1.00 0.00 N ATOM 0 H GLN A 51 3.128 5.463 -5.024 1.00 0.00 H new ATOM 0 HA GLN A 51 4.628 2.997 -4.740 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.675 5.187 -2.891 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.353 3.700 -2.258 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.401 4.134 -3.710 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.726 5.710 -4.070 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.797 6.772 -1.838 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.024 6.843 -0.569 1.00 0.00 H new ATOM 575 N ILE A 52 1.535 3.325 -3.680 1.00 0.00 N ATOM 576 CA ILE A 52 0.334 2.619 -3.301 1.00 0.00 C ATOM 577 C ILE A 52 -0.069 1.640 -4.402 1.00 0.00 C ATOM 578 O ILE A 52 -0.603 0.565 -4.129 1.00 0.00 O ATOM 579 CB ILE A 52 -0.817 3.610 -3.042 1.00 0.00 C ATOM 580 CG1 ILE A 52 -0.417 4.622 -1.960 1.00 0.00 C ATOM 581 CG2 ILE A 52 -2.072 2.864 -2.643 1.00 0.00 C ATOM 582 CD1 ILE A 52 -1.584 5.184 -1.173 1.00 0.00 C ATOM 0 H ILE A 52 1.422 4.337 -3.738 1.00 0.00 H new ATOM 0 HA ILE A 52 0.535 2.066 -2.383 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.022 4.158 -3.962 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.276 4.143 -1.268 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.120 5.446 -2.430 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.877 3.576 -2.463 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.361 2.184 -3.444 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.883 2.293 -1.734 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.215 5.891 -0.430 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.268 5.695 -1.851 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.110 4.371 -0.672 1.00 0.00 H new ATOM 594 N LYS A 53 0.196 2.025 -5.649 1.00 0.00 N ATOM 595 CA LYS A 53 -0.131 1.186 -6.797 1.00 0.00 C ATOM 596 C LYS A 53 0.767 -0.045 -6.856 1.00 0.00 C ATOM 597 O LYS A 53 0.275 -1.170 -6.921 1.00 0.00 O ATOM 598 CB LYS A 53 -0.008 1.988 -8.096 1.00 0.00 C ATOM 599 CG LYS A 53 -0.196 1.148 -9.354 1.00 0.00 C ATOM 600 CD LYS A 53 -1.339 1.672 -10.211 1.00 0.00 C ATOM 601 CE LYS A 53 -2.163 0.536 -10.793 1.00 0.00 C ATOM 602 NZ LYS A 53 -3.433 1.023 -11.398 1.00 0.00 N ATOM 0 H LYS A 53 0.636 2.913 -5.889 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.161 0.850 -6.682 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.748 2.788 -8.090 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.973 2.461 -8.129 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.726 1.150 -9.935 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.394 0.113 -9.075 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.980 2.317 -9.610 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.939 2.284 -11.019 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.578 0.014 -11.550 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.388 -0.187 -10.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.965 0.217 -11.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.004 1.499 -10.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.218 1.694 -12.163 1.00 0.00 H new ATOM 616 N ASN A 54 2.084 0.162 -6.839 1.00 0.00 N ATOM 617 CA ASN A 54 3.017 -0.961 -6.901 1.00 0.00 C ATOM 618 C ASN A 54 2.792 -1.915 -5.733 1.00 0.00 C ATOM 619 O ASN A 54 3.085 -3.107 -5.831 1.00 0.00 O ATOM 620 CB ASN A 54 4.470 -0.473 -6.933 1.00 0.00 C ATOM 621 CG ASN A 54 4.894 0.236 -5.663 1.00 0.00 C ATOM 622 OD1 ASN A 54 4.502 -0.146 -4.561 1.00 0.00 O ATOM 623 ND2 ASN A 54 5.709 1.275 -5.815 1.00 0.00 N ATOM 0 H ASN A 54 2.523 1.081 -6.784 1.00 0.00 H new ATOM 0 HA ASN A 54 2.827 -1.503 -7.827 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.128 -1.325 -7.102 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.600 0.203 -7.778 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.035 1.791 -4.998 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.008 1.556 -6.749 1.00 0.00 H new ATOM 630 N LEU A 55 2.248 -1.394 -4.638 1.00 0.00 N ATOM 631 CA LEU A 55 1.966 -2.219 -3.471 1.00 0.00 C ATOM 632 C LEU A 55 0.681 -3.004 -3.684 1.00 0.00 C ATOM 633 O LEU A 55 0.622 -4.203 -3.414 1.00 0.00 O ATOM 634 CB LEU A 55 1.859 -1.359 -2.208 1.00 0.00 C ATOM 635 CG LEU A 55 3.180 -0.764 -1.714 1.00 0.00 C ATOM 636 CD1 LEU A 55 2.932 0.197 -0.560 1.00 0.00 C ATOM 637 CD2 LEU A 55 4.142 -1.866 -1.296 1.00 0.00 C ATOM 0 H LEU A 55 1.995 -0.411 -4.535 1.00 0.00 H new ATOM 0 HA LEU A 55 2.791 -2.919 -3.338 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.161 -0.544 -2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.430 -1.965 -1.410 1.00 0.00 H new ATOM 0 HG LEU A 55 3.634 -0.208 -2.534 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.882 0.611 -0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.282 1.006 -0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.455 -0.337 0.262 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.075 -1.422 -0.948 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.697 -2.452 -0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.345 -2.515 -2.148 1.00 0.00 H new ATOM 649 N GLU A 56 -0.340 -2.326 -4.200 1.00 0.00 N ATOM 650 CA GLU A 56 -1.612 -2.977 -4.481 1.00 0.00 C ATOM 651 C GLU A 56 -1.372 -4.152 -5.420 1.00 0.00 C ATOM 652 O GLU A 56 -2.009 -5.199 -5.312 1.00 0.00 O ATOM 653 CB GLU A 56 -2.599 -1.987 -5.106 1.00 0.00 C ATOM 654 CG GLU A 56 -3.921 -1.894 -4.361 1.00 0.00 C ATOM 655 CD GLU A 56 -4.717 -3.183 -4.423 1.00 0.00 C ATOM 656 OE1 GLU A 56 -4.694 -3.845 -5.482 1.00 0.00 O ATOM 657 OE2 GLU A 56 -5.362 -3.532 -3.411 1.00 0.00 O ATOM 0 H GLU A 56 -0.311 -1.333 -4.430 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.045 -3.338 -3.548 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.139 -0.999 -5.138 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.793 -2.282 -6.137 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.729 -1.639 -3.319 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.515 -1.084 -4.783 1.00 0.00 H new ATOM 664 N ILE A 57 -0.420 -3.962 -6.329 1.00 0.00 N ATOM 665 CA ILE A 57 -0.045 -4.990 -7.283 1.00 0.00 C ATOM 666 C ILE A 57 0.685 -6.121 -6.574 1.00 0.00 C ATOM 667 O ILE A 57 0.450 -7.296 -6.849 1.00 0.00 O ATOM 668 CB ILE A 57 0.864 -4.410 -8.381 1.00 0.00 C ATOM 669 CG1 ILE A 57 0.205 -3.189 -9.016 1.00 0.00 C ATOM 670 CG2 ILE A 57 1.178 -5.459 -9.434 1.00 0.00 C ATOM 671 CD1 ILE A 57 1.195 -2.172 -9.528 1.00 0.00 C ATOM 0 H ILE A 57 0.108 -3.094 -6.421 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.956 -5.373 -7.743 1.00 0.00 H new ATOM 0 HB ILE A 57 1.805 -4.102 -7.925 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.429 -3.515 -9.841 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.446 -2.714 -8.282 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.822 -5.025 -10.199 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.687 -6.302 -8.967 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.251 -5.803 -9.892 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.658 -1.331 -9.967 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.813 -1.818 -8.703 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.830 -2.632 -10.285 1.00 0.00 H new ATOM 683 N SER A 58 1.573 -5.752 -5.652 1.00 0.00 N ATOM 684 CA SER A 58 2.333 -6.741 -4.894 1.00 0.00 C ATOM 685 C SER A 58 1.390 -7.670 -4.132 1.00 0.00 C ATOM 686 O SER A 58 1.446 -8.892 -4.282 1.00 0.00 O ATOM 687 CB SER A 58 3.284 -6.047 -3.919 1.00 0.00 C ATOM 688 OG SER A 58 4.396 -5.489 -4.599 1.00 0.00 O ATOM 0 H SER A 58 1.782 -4.782 -5.414 1.00 0.00 H new ATOM 0 HA SER A 58 2.919 -7.335 -5.595 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.751 -5.262 -3.383 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.631 -6.763 -3.174 1.00 0.00 H new ATOM 0 HG SER A 58 4.118 -4.675 -5.069 1.00 0.00 H new ATOM 694 N ILE A 59 0.516 -7.078 -3.323 1.00 0.00 N ATOM 695 CA ILE A 59 -0.447 -7.847 -2.546 1.00 0.00 C ATOM 696 C ILE A 59 -1.361 -8.648 -3.465 1.00 0.00 C ATOM 697 O ILE A 59 -1.509 -9.863 -3.310 1.00 0.00 O ATOM 698 CB ILE A 59 -1.308 -6.930 -1.654 1.00 0.00 C ATOM 699 CG1 ILE A 59 -0.419 -5.989 -0.840 1.00 0.00 C ATOM 700 CG2 ILE A 59 -2.191 -7.761 -0.735 1.00 0.00 C ATOM 701 CD1 ILE A 59 -0.927 -4.564 -0.796 1.00 0.00 C ATOM 0 H ILE A 59 0.456 -6.069 -3.189 1.00 0.00 H new ATOM 0 HA ILE A 59 0.120 -8.527 -1.910 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.951 -6.326 -2.295 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.338 -6.369 0.178 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.586 -5.995 -1.263 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.792 -7.099 -0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.848 -8.392 -1.334 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.566 -8.389 -0.100 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.247 -3.954 -0.202 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.981 -4.166 -1.809 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.919 -4.545 -0.345 1.00 0.00 H new ATOM 713 N ASP A 60 -1.968 -7.962 -4.427 1.00 0.00 N ATOM 714 CA ASP A 60 -2.862 -8.610 -5.379 1.00 0.00 C ATOM 715 C ASP A 60 -2.130 -9.710 -6.134 1.00 0.00 C ATOM 716 O ASP A 60 -2.714 -10.742 -6.469 1.00 0.00 O ATOM 717 CB ASP A 60 -3.428 -7.584 -6.363 1.00 0.00 C ATOM 718 CG ASP A 60 -4.660 -8.092 -7.085 1.00 0.00 C ATOM 719 OD1 ASP A 60 -5.773 -7.942 -6.537 1.00 0.00 O ATOM 720 OD2 ASP A 60 -4.512 -8.643 -8.196 1.00 0.00 O ATOM 0 H ASP A 60 -1.857 -6.958 -4.568 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.687 -9.057 -4.825 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.677 -6.669 -5.826 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.662 -7.326 -7.095 1.00 0.00 H new ATOM 725 N ALA A 61 -0.842 -9.492 -6.390 1.00 0.00 N ATOM 726 CA ALA A 61 -0.031 -10.476 -7.097 1.00 0.00 C ATOM 727 C ALA A 61 -0.039 -11.797 -6.342 1.00 0.00 C ATOM 728 O ALA A 61 -0.303 -12.855 -6.916 1.00 0.00 O ATOM 729 CB ALA A 61 1.392 -9.968 -7.272 1.00 0.00 C ATOM 0 H ALA A 61 -0.341 -8.646 -6.119 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.458 -10.637 -8.087 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.983 -10.716 -7.802 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.380 -9.042 -7.846 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.835 -9.782 -6.294 1.00 0.00 H new ATOM 735 N LEU A 62 0.231 -11.729 -5.039 1.00 0.00 N ATOM 736 CA LEU A 62 0.232 -12.917 -4.205 1.00 0.00 C ATOM 737 C LEU A 62 -1.101 -13.638 -4.314 1.00 0.00 C ATOM 738 O LEU A 62 -1.143 -14.829 -4.608 1.00 0.00 O ATOM 739 CB LEU A 62 0.505 -12.542 -2.749 1.00 0.00 C ATOM 740 CG LEU A 62 1.967 -12.232 -2.437 1.00 0.00 C ATOM 741 CD1 LEU A 62 2.147 -10.757 -2.109 1.00 0.00 C ATOM 742 CD2 LEU A 62 2.470 -13.101 -1.296 1.00 0.00 C ATOM 0 H LEU A 62 0.450 -10.864 -4.545 1.00 0.00 H new ATOM 0 HA LEU A 62 1.022 -13.583 -4.551 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.100 -11.673 -2.492 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.176 -13.360 -2.109 1.00 0.00 H new ATOM 0 HG LEU A 62 2.559 -12.458 -3.324 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.196 -10.558 -1.890 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.834 -10.154 -2.961 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.540 -10.501 -1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.514 -12.863 -1.091 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.872 -12.912 -0.404 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.385 -14.152 -1.574 1.00 0.00 H new ATOM 754 N MET A 63 -2.188 -12.899 -4.088 1.00 0.00 N ATOM 755 CA MET A 63 -3.536 -13.461 -4.161 1.00 0.00 C ATOM 756 C MET A 63 -3.702 -14.337 -5.397 1.00 0.00 C ATOM 757 O MET A 63 -4.016 -15.522 -5.292 1.00 0.00 O ATOM 758 CB MET A 63 -4.576 -12.339 -4.182 1.00 0.00 C ATOM 759 CG MET A 63 -5.954 -12.775 -3.714 1.00 0.00 C ATOM 760 SD MET A 63 -5.948 -13.378 -2.015 1.00 0.00 S ATOM 761 CE MET A 63 -5.000 -12.095 -1.204 1.00 0.00 C ATOM 0 H MET A 63 -2.160 -11.907 -3.852 1.00 0.00 H new ATOM 0 HA MET A 63 -3.688 -14.080 -3.277 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.229 -11.522 -3.550 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.654 -11.946 -5.196 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.644 -11.935 -3.796 1.00 0.00 H new ATOM 0 HG3 MET A 63 -6.327 -13.559 -4.373 1.00 0.00 H new ATOM 0 HE1 MET A 63 -5.387 -11.938 -0.197 1.00 0.00 H new ATOM 0 HE2 MET A 63 -3.954 -12.396 -1.148 1.00 0.00 H new ATOM 0 HE3 MET A 63 -5.081 -11.168 -1.772 1.00 0.00 H new ATOM 771 N ALA A 64 -3.474 -13.753 -6.567 1.00 0.00 N ATOM 772 CA ALA A 64 -3.587 -14.496 -7.814 1.00 0.00 C ATOM 773 C ALA A 64 -2.613 -15.670 -7.830 1.00 0.00 C ATOM 774 O ALA A 64 -2.830 -16.660 -8.529 1.00 0.00 O ATOM 775 CB ALA A 64 -3.334 -13.578 -9.001 1.00 0.00 C ATOM 0 H ALA A 64 -3.211 -12.774 -6.678 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.600 -14.891 -7.890 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.422 -14.147 -9.926 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.067 -12.772 -9.000 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.331 -13.157 -8.928 1.00 0.00 H new ATOM 781 N LYS A 65 -1.544 -15.555 -7.044 1.00 0.00 N ATOM 782 CA LYS A 65 -0.543 -16.608 -6.954 1.00 0.00 C ATOM 783 C LYS A 65 -0.996 -17.694 -5.990 1.00 0.00 C ATOM 784 O LYS A 65 -0.638 -18.861 -6.134 1.00 0.00 O ATOM 785 CB LYS A 65 0.801 -16.030 -6.502 1.00 0.00 C ATOM 786 CG LYS A 65 1.718 -15.646 -7.651 1.00 0.00 C ATOM 787 CD LYS A 65 3.129 -15.356 -7.163 1.00 0.00 C ATOM 788 CE LYS A 65 3.331 -13.874 -6.885 1.00 0.00 C ATOM 789 NZ LYS A 65 3.252 -13.563 -5.431 1.00 0.00 N ATOM 0 H LYS A 65 -1.352 -14.741 -6.461 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.420 -17.049 -7.943 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.619 -15.150 -5.885 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.308 -16.762 -5.873 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.744 -16.453 -8.383 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.319 -14.768 -8.159 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.326 -15.927 -6.256 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.849 -15.688 -7.911 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.302 -13.562 -7.270 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.576 -13.299 -7.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.693 -12.697 -5.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.797 -14.353 -4.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.211 -13.421 -5.054 1.00 0.00 H new ATOM 803 N ILE A 66 -1.783 -17.295 -4.998 1.00 0.00 N ATOM 804 CA ILE A 66 -2.282 -18.225 -3.997 1.00 0.00 C ATOM 805 C ILE A 66 -3.338 -19.151 -4.587 1.00 0.00 C ATOM 806 O ILE A 66 -3.425 -20.324 -4.225 1.00 0.00 O ATOM 807 CB ILE A 66 -2.893 -17.505 -2.774 1.00 0.00 C ATOM 808 CG1 ILE A 66 -2.248 -16.139 -2.552 1.00 0.00 C ATOM 809 CG2 ILE A 66 -2.741 -18.363 -1.534 1.00 0.00 C ATOM 810 CD1 ILE A 66 -0.750 -16.189 -2.328 1.00 0.00 C ATOM 0 H ILE A 66 -2.089 -16.331 -4.867 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.418 -18.802 -3.668 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.953 -17.346 -2.973 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.454 -15.508 -3.416 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.717 -15.664 -1.691 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.175 -17.846 -0.678 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.255 -19.312 -1.683 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.683 -18.549 -1.347 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.371 -15.178 -2.179 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.534 -16.792 -1.446 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.267 -16.633 -3.198 1.00 0.00 H new ATOM 822 N LYS A 67 -4.151 -18.607 -5.488 1.00 0.00 N ATOM 823 CA LYS A 67 -5.216 -19.375 -6.119 1.00 0.00 C ATOM 824 C LYS A 67 -4.797 -19.939 -7.478 1.00 0.00 C ATOM 825 O LYS A 67 -5.596 -20.589 -8.152 1.00 0.00 O ATOM 826 CB LYS A 67 -6.461 -18.503 -6.285 1.00 0.00 C ATOM 827 CG LYS A 67 -6.889 -17.800 -5.006 1.00 0.00 C ATOM 828 CD LYS A 67 -7.671 -18.731 -4.093 1.00 0.00 C ATOM 829 CE LYS A 67 -9.163 -18.443 -4.146 1.00 0.00 C ATOM 830 NZ LYS A 67 -9.967 -19.691 -4.253 1.00 0.00 N ATOM 0 H LYS A 67 -4.091 -17.637 -5.797 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.437 -20.219 -5.466 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.270 -17.755 -7.054 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.284 -19.123 -6.641 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.008 -17.429 -4.481 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.501 -16.933 -5.254 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.489 -19.765 -4.385 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.315 -18.621 -3.069 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.459 -17.896 -3.251 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.378 -17.799 -4.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.978 -19.451 -4.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.703 -20.200 -5.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.782 -20.295 -3.427 1.00 0.00 H new ATOM 844 N SER A 68 -3.555 -19.691 -7.887 1.00 0.00 N ATOM 845 CA SER A 68 -3.077 -20.188 -9.175 1.00 0.00 C ATOM 846 C SER A 68 -1.654 -20.726 -9.087 1.00 0.00 C ATOM 847 O SER A 68 -0.965 -20.848 -10.100 1.00 0.00 O ATOM 848 CB SER A 68 -3.157 -19.087 -10.233 1.00 0.00 C ATOM 849 OG SER A 68 -3.224 -19.637 -11.537 1.00 0.00 O ATOM 0 H SER A 68 -2.869 -19.156 -7.354 1.00 0.00 H new ATOM 0 HA SER A 68 -3.725 -21.015 -9.464 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.035 -18.467 -10.051 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.285 -18.438 -10.153 1.00 0.00 H new ATOM 0 HG SER A 68 -2.502 -20.290 -11.654 1.00 0.00 H new ATOM 855 N THR A 69 -1.225 -21.062 -7.879 1.00 0.00 N ATOM 856 CA THR A 69 0.117 -21.603 -7.662 1.00 0.00 C ATOM 857 C THR A 69 0.194 -22.329 -6.324 1.00 0.00 C ATOM 858 O THR A 69 -0.773 -22.352 -5.560 1.00 0.00 O ATOM 859 CB THR A 69 1.189 -20.501 -7.714 1.00 0.00 C ATOM 860 OG1 THR A 69 1.471 -20.004 -6.417 1.00 0.00 O ATOM 861 CG2 THR A 69 0.823 -19.316 -8.585 1.00 0.00 C ATOM 0 H THR A 69 -1.784 -20.971 -7.031 1.00 0.00 H new ATOM 0 HA THR A 69 0.314 -22.310 -8.468 1.00 0.00 H new ATOM 0 HB THR A 69 2.058 -20.990 -8.154 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.783 -19.355 -6.159 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.633 -18.586 -8.566 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.662 -19.653 -9.609 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.090 -18.855 -8.207 1.00 0.00 H new ATOM 869 N MET A 70 1.351 -22.916 -6.043 1.00 0.00 N ATOM 870 CA MET A 70 1.562 -23.636 -4.795 1.00 0.00 C ATOM 871 C MET A 70 2.514 -22.865 -3.887 1.00 0.00 C ATOM 872 O MET A 70 3.392 -23.448 -3.249 1.00 0.00 O ATOM 873 CB MET A 70 2.118 -25.033 -5.074 1.00 0.00 C ATOM 874 CG MET A 70 1.628 -26.090 -4.097 1.00 0.00 C ATOM 875 SD MET A 70 2.378 -27.705 -4.388 1.00 0.00 S ATOM 876 CE MET A 70 1.181 -28.779 -3.599 1.00 0.00 C ATOM 0 H MET A 70 2.159 -22.907 -6.665 1.00 0.00 H new ATOM 0 HA MET A 70 0.602 -23.735 -4.289 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.841 -25.329 -6.086 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.207 -24.995 -5.039 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.849 -25.769 -3.079 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.544 -26.177 -4.175 1.00 0.00 H new ATOM 0 HE1 MET A 70 1.504 -29.816 -3.694 1.00 0.00 H new ATOM 0 HE2 MET A 70 1.100 -28.520 -2.543 1.00 0.00 H new ATOM 0 HE3 MET A 70 0.210 -28.656 -4.079 1.00 0.00 H new ATOM 886 N MET A 71 2.336 -21.548 -3.837 1.00 0.00 N ATOM 887 CA MET A 71 3.177 -20.690 -3.012 1.00 0.00 C ATOM 888 C MET A 71 3.167 -21.145 -1.558 1.00 0.00 C ATOM 889 O MET A 71 2.150 -21.621 -1.051 1.00 0.00 O ATOM 890 CB MET A 71 2.708 -19.238 -3.107 1.00 0.00 C ATOM 891 CG MET A 71 3.408 -18.444 -4.197 1.00 0.00 C ATOM 892 SD MET A 71 4.982 -17.755 -3.655 1.00 0.00 S ATOM 893 CE MET A 71 4.427 -16.312 -2.750 1.00 0.00 C ATOM 0 H MET A 71 1.615 -21.052 -4.360 1.00 0.00 H new ATOM 0 HA MET A 71 4.198 -20.762 -3.386 1.00 0.00 H new ATOM 0 HB2 MET A 71 1.634 -19.223 -3.291 1.00 0.00 H new ATOM 0 HB3 MET A 71 2.874 -18.748 -2.148 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.576 -19.089 -5.059 1.00 0.00 H new ATOM 0 HG3 MET A 71 2.756 -17.635 -4.527 1.00 0.00 H new ATOM 0 HE1 MET A 71 5.192 -15.537 -2.796 1.00 0.00 H new ATOM 0 HE2 MET A 71 3.504 -15.937 -3.193 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.246 -16.582 -1.710 1.00 0.00 H new ATOM 903 N THR A 72 4.307 -20.996 -0.891 1.00 0.00 N ATOM 904 CA THR A 72 4.433 -21.388 0.506 1.00 0.00 C ATOM 905 C THR A 72 4.085 -20.225 1.428 1.00 0.00 C ATOM 906 O THR A 72 4.342 -19.067 1.104 1.00 0.00 O ATOM 907 CB THR A 72 5.854 -21.873 0.792 1.00 0.00 C ATOM 908 OG1 THR A 72 6.452 -22.396 -0.380 1.00 0.00 O ATOM 909 CG2 THR A 72 5.918 -22.944 1.858 1.00 0.00 C ATOM 0 H THR A 72 5.157 -20.606 -1.297 1.00 0.00 H new ATOM 0 HA THR A 72 3.733 -22.202 0.696 1.00 0.00 H new ATOM 0 HB THR A 72 6.391 -20.995 1.150 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.361 -22.699 -0.176 1.00 0.00 H new ATOM 0 HG21 THR A 72 6.955 -23.243 2.012 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.511 -22.554 2.791 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.334 -23.808 1.541 1.00 0.00 H new ATOM 917 N ARG A 73 3.502 -20.542 2.580 1.00 0.00 N ATOM 918 CA ARG A 73 3.125 -19.520 3.548 1.00 0.00 C ATOM 919 C ARG A 73 4.323 -18.649 3.910 1.00 0.00 C ATOM 920 O ARG A 73 4.178 -17.462 4.200 1.00 0.00 O ATOM 921 CB ARG A 73 2.550 -20.166 4.810 1.00 0.00 C ATOM 922 CG ARG A 73 1.121 -20.658 4.643 1.00 0.00 C ATOM 923 CD ARG A 73 0.495 -21.014 5.984 1.00 0.00 C ATOM 924 NE ARG A 73 1.315 -21.959 6.737 1.00 0.00 N ATOM 925 CZ ARG A 73 1.393 -23.259 6.461 1.00 0.00 C ATOM 926 NH1 ARG A 73 0.703 -23.772 5.450 1.00 0.00 N ATOM 927 NH2 ARG A 73 2.162 -24.049 7.198 1.00 0.00 N ATOM 0 H ARG A 73 3.281 -21.496 2.865 1.00 0.00 H new ATOM 0 HA ARG A 73 2.361 -18.889 3.093 1.00 0.00 H new ATOM 0 HB2 ARG A 73 3.183 -21.005 5.100 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.584 -19.444 5.626 1.00 0.00 H new ATOM 0 HG2 ARG A 73 0.524 -19.888 4.154 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.109 -21.532 3.991 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.356 -20.106 6.571 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.494 -21.442 5.820 1.00 0.00 H new ATOM 0 HE ARG A 73 1.861 -21.602 7.521 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.109 -23.170 4.880 1.00 0.00 H new ATOM 0 HH12 ARG A 73 0.766 -24.769 5.243 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.694 -23.661 7.977 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.221 -25.045 6.986 1.00 0.00 H new ATOM 941 N GLU A 74 5.512 -19.247 3.881 1.00 0.00 N ATOM 942 CA GLU A 74 6.737 -18.526 4.196 1.00 0.00 C ATOM 943 C GLU A 74 6.941 -17.372 3.220 1.00 0.00 C ATOM 944 O GLU A 74 7.374 -16.286 3.606 1.00 0.00 O ATOM 945 CB GLU A 74 7.940 -19.470 4.148 1.00 0.00 C ATOM 946 CG GLU A 74 7.857 -20.612 5.148 1.00 0.00 C ATOM 947 CD GLU A 74 9.026 -20.631 6.113 1.00 0.00 C ATOM 948 OE1 GLU A 74 8.966 -19.912 7.133 1.00 0.00 O ATOM 949 OE2 GLU A 74 10.001 -21.367 5.849 1.00 0.00 O ATOM 0 H GLU A 74 5.650 -20.229 3.642 1.00 0.00 H new ATOM 0 HA GLU A 74 6.648 -18.122 5.204 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.027 -19.883 3.143 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.848 -18.898 4.337 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.928 -20.529 5.711 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.820 -21.559 4.610 1.00 0.00 H new ATOM 956 N GLN A 75 6.617 -17.616 1.954 1.00 0.00 N ATOM 957 CA GLN A 75 6.754 -16.599 0.920 1.00 0.00 C ATOM 958 C GLN A 75 5.760 -15.467 1.152 1.00 0.00 C ATOM 959 O GLN A 75 6.051 -14.304 0.875 1.00 0.00 O ATOM 960 CB GLN A 75 6.536 -17.213 -0.464 1.00 0.00 C ATOM 961 CG GLN A 75 7.714 -18.037 -0.956 1.00 0.00 C ATOM 962 CD GLN A 75 7.936 -17.902 -2.449 1.00 0.00 C ATOM 963 OE1 GLN A 75 7.745 -18.855 -3.205 1.00 0.00 O ATOM 964 NE2 GLN A 75 8.342 -16.715 -2.883 1.00 0.00 N ATOM 0 H GLN A 75 6.258 -18.510 1.620 1.00 0.00 H new ATOM 0 HA GLN A 75 7.764 -16.193 0.969 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.648 -17.844 -0.436 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.338 -16.415 -1.179 1.00 0.00 H new ATOM 0 HG2 GLN A 75 8.616 -17.726 -0.429 1.00 0.00 H new ATOM 0 HG3 GLN A 75 7.547 -19.086 -0.711 1.00 0.00 H new ATOM 0 HE21 GLN A 75 8.488 -15.953 -2.221 1.00 0.00 H new ATOM 0 HE22 GLN A 75 8.508 -16.565 -3.878 1.00 0.00 H new ATOM 973 N ILE A 76 4.586 -15.818 1.667 1.00 0.00 N ATOM 974 CA ILE A 76 3.547 -14.837 1.945 1.00 0.00 C ATOM 975 C ILE A 76 3.921 -13.982 3.151 1.00 0.00 C ATOM 976 O ILE A 76 3.598 -12.795 3.211 1.00 0.00 O ATOM 977 CB ILE A 76 2.187 -15.511 2.210 1.00 0.00 C ATOM 978 CG1 ILE A 76 1.886 -16.555 1.131 1.00 0.00 C ATOM 979 CG2 ILE A 76 1.080 -14.469 2.269 1.00 0.00 C ATOM 980 CD1 ILE A 76 1.802 -15.976 -0.266 1.00 0.00 C ATOM 0 H ILE A 76 4.331 -16.778 1.900 1.00 0.00 H new ATOM 0 HA ILE A 76 3.460 -14.206 1.061 1.00 0.00 H new ATOM 0 HB ILE A 76 2.235 -16.018 3.174 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.661 -17.321 1.152 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.944 -17.049 1.368 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.126 -14.962 2.457 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.288 -13.762 3.073 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.032 -13.935 1.320 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.586 -16.773 -0.978 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.007 -15.231 -0.304 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.752 -15.507 -0.523 1.00 0.00 H new ATOM 992 N GLN A 77 4.608 -14.595 4.111 1.00 0.00 N ATOM 993 CA GLN A 77 5.032 -13.895 5.316 1.00 0.00 C ATOM 994 C GLN A 77 6.070 -12.826 4.985 1.00 0.00 C ATOM 995 O GLN A 77 5.978 -11.692 5.451 1.00 0.00 O ATOM 996 CB GLN A 77 5.607 -14.884 6.333 1.00 0.00 C ATOM 997 CG GLN A 77 5.257 -14.551 7.772 1.00 0.00 C ATOM 998 CD GLN A 77 3.780 -14.721 8.069 1.00 0.00 C ATOM 999 OE1 GLN A 77 2.970 -14.915 7.161 1.00 0.00 O ATOM 1000 NE2 GLN A 77 3.419 -14.651 9.346 1.00 0.00 N ATOM 0 H GLN A 77 4.882 -15.577 4.076 1.00 0.00 H new ATOM 0 HA GLN A 77 4.159 -13.408 5.750 1.00 0.00 H new ATOM 0 HB2 GLN A 77 5.241 -15.884 6.101 1.00 0.00 H new ATOM 0 HB3 GLN A 77 6.692 -14.910 6.229 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.834 -15.191 8.439 1.00 0.00 H new ATOM 0 HG3 GLN A 77 5.550 -13.523 7.984 1.00 0.00 H new ATOM 0 HE21 GLN A 77 4.122 -14.489 10.067 1.00 0.00 H new ATOM 0 HE22 GLN A 77 2.439 -14.759 9.605 1.00 0.00 H new ATOM 1009 N LYS A 78 7.056 -13.197 4.175 1.00 0.00 N ATOM 1010 CA LYS A 78 8.104 -12.264 3.782 1.00 0.00 C ATOM 1011 C LYS A 78 7.536 -11.152 2.917 1.00 0.00 C ATOM 1012 O LYS A 78 7.793 -9.974 3.162 1.00 0.00 O ATOM 1013 CB LYS A 78 9.224 -12.994 3.037 1.00 0.00 C ATOM 1014 CG LYS A 78 10.074 -13.879 3.934 1.00 0.00 C ATOM 1015 CD LYS A 78 11.513 -13.392 4.000 1.00 0.00 C ATOM 1016 CE LYS A 78 12.267 -13.712 2.719 1.00 0.00 C ATOM 1017 NZ LYS A 78 13.424 -12.797 2.511 1.00 0.00 N ATOM 0 H LYS A 78 7.151 -14.133 3.780 1.00 0.00 H new ATOM 0 HA LYS A 78 8.520 -11.821 4.687 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.786 -13.605 2.247 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.866 -12.259 2.552 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.649 -13.896 4.937 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.053 -14.903 3.561 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.527 -12.316 4.173 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.018 -13.857 4.847 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.621 -14.742 2.754 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.588 -13.637 1.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.911 -13.049 1.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.084 -11.816 2.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 14.085 -12.887 3.309 1.00 0.00 H new ATOM 1031 N GLU A 79 6.740 -11.521 1.919 1.00 0.00 N ATOM 1032 CA GLU A 79 6.127 -10.528 1.050 1.00 0.00 C ATOM 1033 C GLU A 79 5.324 -9.557 1.896 1.00 0.00 C ATOM 1034 O GLU A 79 5.272 -8.359 1.613 1.00 0.00 O ATOM 1035 CB GLU A 79 5.233 -11.197 0.002 1.00 0.00 C ATOM 1036 CG GLU A 79 6.007 -11.878 -1.113 1.00 0.00 C ATOM 1037 CD GLU A 79 5.426 -11.595 -2.487 1.00 0.00 C ATOM 1038 OE1 GLU A 79 5.382 -10.411 -2.878 1.00 0.00 O ATOM 1039 OE2 GLU A 79 5.017 -12.557 -3.169 1.00 0.00 O ATOM 0 H GLU A 79 6.507 -12.488 1.695 1.00 0.00 H new ATOM 0 HA GLU A 79 6.909 -9.986 0.518 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.599 -11.934 0.495 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.572 -10.447 -0.432 1.00 0.00 H new ATOM 0 HG2 GLU A 79 7.044 -11.544 -1.086 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.014 -12.954 -0.940 1.00 0.00 H new ATOM 1046 N TYR A 80 4.737 -10.078 2.969 1.00 0.00 N ATOM 1047 CA TYR A 80 3.982 -9.249 3.888 1.00 0.00 C ATOM 1048 C TYR A 80 4.940 -8.270 4.547 1.00 0.00 C ATOM 1049 O TYR A 80 4.604 -7.110 4.780 1.00 0.00 O ATOM 1050 CB TYR A 80 3.282 -10.106 4.944 1.00 0.00 C ATOM 1051 CG TYR A 80 2.509 -9.300 5.964 1.00 0.00 C ATOM 1052 CD1 TYR A 80 1.307 -8.690 5.629 1.00 0.00 C ATOM 1053 CD2 TYR A 80 2.982 -9.149 7.262 1.00 0.00 C ATOM 1054 CE1 TYR A 80 0.598 -7.952 6.558 1.00 0.00 C ATOM 1055 CE2 TYR A 80 2.279 -8.413 8.196 1.00 0.00 C ATOM 1056 CZ TYR A 80 1.088 -7.817 7.840 1.00 0.00 C ATOM 1057 OH TYR A 80 0.384 -7.084 8.769 1.00 0.00 O ATOM 0 H TYR A 80 4.772 -11.066 3.219 1.00 0.00 H new ATOM 0 HA TYR A 80 3.210 -8.706 3.343 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.600 -10.796 4.446 1.00 0.00 H new ATOM 0 HB3 TYR A 80 4.027 -10.711 5.461 1.00 0.00 H new ATOM 0 HD1 TYR A 80 0.920 -8.794 4.626 1.00 0.00 H new ATOM 0 HD2 TYR A 80 3.914 -9.615 7.545 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -0.335 -7.483 6.281 1.00 0.00 H new ATOM 0 HE2 TYR A 80 2.661 -8.305 9.201 1.00 0.00 H new ATOM 0 HH TYR A 80 0.866 -7.089 9.623 1.00 0.00 H new ATOM 1067 N ASP A 81 6.157 -8.748 4.818 1.00 0.00 N ATOM 1068 CA ASP A 81 7.183 -7.911 5.418 1.00 0.00 C ATOM 1069 C ASP A 81 7.650 -6.865 4.417 1.00 0.00 C ATOM 1070 O ASP A 81 7.904 -5.716 4.781 1.00 0.00 O ATOM 1071 CB ASP A 81 8.365 -8.762 5.889 1.00 0.00 C ATOM 1072 CG ASP A 81 8.245 -9.161 7.346 1.00 0.00 C ATOM 1073 OD1 ASP A 81 7.339 -9.956 7.671 1.00 0.00 O ATOM 1074 OD2 ASP A 81 9.060 -8.680 8.162 1.00 0.00 O ATOM 0 H ASP A 81 6.449 -9.707 4.630 1.00 0.00 H new ATOM 0 HA ASP A 81 6.758 -7.406 6.286 1.00 0.00 H new ATOM 0 HB2 ASP A 81 8.431 -9.659 5.274 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.291 -8.206 5.742 1.00 0.00 H new ATOM 1079 N ALA A 82 7.745 -7.259 3.146 1.00 0.00 N ATOM 1080 CA ALA A 82 8.159 -6.332 2.104 1.00 0.00 C ATOM 1081 C ALA A 82 7.171 -5.178 2.020 1.00 0.00 C ATOM 1082 O ALA A 82 7.542 -4.044 1.719 1.00 0.00 O ATOM 1083 CB ALA A 82 8.267 -7.046 0.765 1.00 0.00 C ATOM 0 H ALA A 82 7.542 -8.204 2.821 1.00 0.00 H new ATOM 0 HA ALA A 82 9.143 -5.935 2.354 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.578 -6.336 -0.002 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.003 -7.847 0.838 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.298 -7.467 0.498 1.00 0.00 H new ATOM 1089 N LEU A 83 5.910 -5.481 2.312 1.00 0.00 N ATOM 1090 CA LEU A 83 4.859 -4.475 2.295 1.00 0.00 C ATOM 1091 C LEU A 83 4.922 -3.633 3.564 1.00 0.00 C ATOM 1092 O LEU A 83 4.578 -2.451 3.551 1.00 0.00 O ATOM 1093 CB LEU A 83 3.488 -5.140 2.169 1.00 0.00 C ATOM 1094 CG LEU A 83 3.262 -5.912 0.866 1.00 0.00 C ATOM 1095 CD1 LEU A 83 2.427 -7.159 1.119 1.00 0.00 C ATOM 1096 CD2 LEU A 83 2.596 -5.019 -0.169 1.00 0.00 C ATOM 0 H LEU A 83 5.593 -6.417 2.563 1.00 0.00 H new ATOM 0 HA LEU A 83 5.010 -3.825 1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.354 -5.824 3.007 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.719 -4.373 2.257 1.00 0.00 H new ATOM 0 HG LEU A 83 4.231 -6.226 0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.278 -7.693 0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.945 -7.806 1.827 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.460 -6.872 1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.442 -5.582 -1.090 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.634 -4.676 0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.234 -4.159 -0.372 1.00 0.00 H new ATOM 1108 N VAL A 84 5.375 -4.245 4.657 1.00 0.00 N ATOM 1109 CA VAL A 84 5.491 -3.541 5.926 1.00 0.00 C ATOM 1110 C VAL A 84 6.600 -2.496 5.854 1.00 0.00 C ATOM 1111 O VAL A 84 6.477 -1.408 6.414 1.00 0.00 O ATOM 1112 CB VAL A 84 5.778 -4.512 7.089 1.00 0.00 C ATOM 1113 CG1 VAL A 84 5.890 -3.757 8.407 1.00 0.00 C ATOM 1114 CG2 VAL A 84 4.697 -5.582 7.171 1.00 0.00 C ATOM 0 H VAL A 84 5.666 -5.222 4.686 1.00 0.00 H new ATOM 0 HA VAL A 84 4.536 -3.050 6.115 1.00 0.00 H new ATOM 0 HB VAL A 84 6.732 -5.003 6.898 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.093 -4.461 9.214 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.703 -3.034 8.344 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.955 -3.235 8.608 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.916 -6.258 7.997 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.729 -5.109 7.336 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.671 -6.145 6.238 1.00 0.00 H new ATOM 1124 N LYS A 85 7.678 -2.832 5.152 1.00 0.00 N ATOM 1125 CA LYS A 85 8.802 -1.917 4.999 1.00 0.00 C ATOM 1126 C LYS A 85 8.435 -0.775 4.058 1.00 0.00 C ATOM 1127 O LYS A 85 8.642 0.398 4.373 1.00 0.00 O ATOM 1128 CB LYS A 85 10.029 -2.664 4.470 1.00 0.00 C ATOM 1129 CG LYS A 85 11.178 -2.724 5.462 1.00 0.00 C ATOM 1130 CD LYS A 85 11.187 -4.039 6.227 1.00 0.00 C ATOM 1131 CE LYS A 85 12.569 -4.353 6.779 1.00 0.00 C ATOM 1132 NZ LYS A 85 13.166 -3.183 7.481 1.00 0.00 N ATOM 0 H LYS A 85 7.796 -3.729 4.681 1.00 0.00 H new ATOM 0 HA LYS A 85 9.042 -1.499 5.977 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.738 -3.680 4.202 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.373 -2.179 3.557 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.123 -2.603 4.933 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.097 -1.894 6.164 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.469 -3.990 7.046 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.865 -4.846 5.569 1.00 0.00 H new ATOM 0 HE2 LYS A 85 12.502 -5.194 7.469 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.224 -4.660 5.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.986 -3.495 8.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.472 -2.477 6.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.457 -2.759 8.113 1.00 0.00 H new ATOM 1146 N SER A 86 7.880 -1.129 2.905 1.00 0.00 N ATOM 1147 CA SER A 86 7.473 -0.141 1.915 1.00 0.00 C ATOM 1148 C SER A 86 6.353 0.738 2.459 1.00 0.00 C ATOM 1149 O SER A 86 6.384 1.960 2.320 1.00 0.00 O ATOM 1150 CB SER A 86 7.019 -0.832 0.628 1.00 0.00 C ATOM 1151 OG SER A 86 6.297 -2.018 0.913 1.00 0.00 O ATOM 0 H SER A 86 7.701 -2.096 2.633 1.00 0.00 H new ATOM 0 HA SER A 86 8.332 0.491 1.692 1.00 0.00 H new ATOM 0 HB2 SER A 86 6.394 -0.153 0.048 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.887 -1.070 0.014 1.00 0.00 H new ATOM 0 HG SER A 86 6.895 -2.791 0.838 1.00 0.00 H new ATOM 1157 N SER A 87 5.369 0.103 3.084 1.00 0.00 N ATOM 1158 CA SER A 87 4.239 0.823 3.658 1.00 0.00 C ATOM 1159 C SER A 87 4.715 1.807 4.720 1.00 0.00 C ATOM 1160 O SER A 87 4.342 2.980 4.706 1.00 0.00 O ATOM 1161 CB SER A 87 3.235 -0.156 4.266 1.00 0.00 C ATOM 1162 OG SER A 87 3.818 -0.892 5.326 1.00 0.00 O ATOM 0 H SER A 87 5.331 -0.909 3.206 1.00 0.00 H new ATOM 0 HA SER A 87 3.748 1.380 2.860 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.366 0.390 4.633 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.879 -0.841 3.497 1.00 0.00 H new ATOM 0 HG SER A 87 4.526 -1.469 4.972 1.00 0.00 H new ATOM 1168 N GLU A 88 5.548 1.322 5.638 1.00 0.00 N ATOM 1169 CA GLU A 88 6.082 2.160 6.705 1.00 0.00 C ATOM 1170 C GLU A 88 6.762 3.398 6.131 1.00 0.00 C ATOM 1171 O GLU A 88 6.638 4.497 6.672 1.00 0.00 O ATOM 1172 CB GLU A 88 7.075 1.368 7.559 1.00 0.00 C ATOM 1173 CG GLU A 88 6.432 0.659 8.740 1.00 0.00 C ATOM 1174 CD GLU A 88 5.977 1.622 9.820 1.00 0.00 C ATOM 1175 OE1 GLU A 88 4.822 2.092 9.749 1.00 0.00 O ATOM 1176 OE2 GLU A 88 6.776 1.906 10.737 1.00 0.00 O ATOM 0 H GLU A 88 5.867 0.353 5.663 1.00 0.00 H new ATOM 0 HA GLU A 88 5.251 2.480 7.333 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.574 0.630 6.931 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.845 2.045 7.928 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.577 0.080 8.390 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.143 -0.049 9.165 1.00 0.00 H new ATOM 1183 N ASP A 89 7.475 3.209 5.026 1.00 0.00 N ATOM 1184 CA ASP A 89 8.170 4.309 4.370 1.00 0.00 C ATOM 1185 C ASP A 89 7.174 5.293 3.764 1.00 0.00 C ATOM 1186 O ASP A 89 7.438 6.493 3.689 1.00 0.00 O ATOM 1187 CB ASP A 89 9.104 3.775 3.282 1.00 0.00 C ATOM 1188 CG ASP A 89 9.919 4.873 2.629 1.00 0.00 C ATOM 1189 OD1 ASP A 89 10.997 5.211 3.162 1.00 0.00 O ATOM 1190 OD2 ASP A 89 9.480 5.396 1.582 1.00 0.00 O ATOM 0 H ASP A 89 7.586 2.305 4.567 1.00 0.00 H new ATOM 0 HA ASP A 89 8.762 4.832 5.121 1.00 0.00 H new ATOM 0 HB2 ASP A 89 9.777 3.036 3.716 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.515 3.262 2.521 1.00 0.00 H new ATOM 1195 N LEU A 90 6.028 4.774 3.332 1.00 0.00 N ATOM 1196 CA LEU A 90 4.990 5.604 2.732 1.00 0.00 C ATOM 1197 C LEU A 90 4.405 6.570 3.754 1.00 0.00 C ATOM 1198 O LEU A 90 4.252 7.762 3.483 1.00 0.00 O ATOM 1199 CB LEU A 90 3.883 4.725 2.145 1.00 0.00 C ATOM 1200 CG LEU A 90 2.682 5.485 1.577 1.00 0.00 C ATOM 1201 CD1 LEU A 90 2.146 4.785 0.338 1.00 0.00 C ATOM 1202 CD2 LEU A 90 1.591 5.618 2.629 1.00 0.00 C ATOM 0 H LEU A 90 5.795 3.782 3.387 1.00 0.00 H new ATOM 0 HA LEU A 90 5.443 6.188 1.931 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.311 4.109 1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.530 4.046 2.921 1.00 0.00 H new ATOM 0 HG LEU A 90 3.010 6.485 1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.292 5.339 -0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.927 4.740 -0.421 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.834 3.774 0.598 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.744 6.161 2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.266 4.626 2.944 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.980 6.162 3.490 1.00 0.00 H new ATOM 1214 N LEU A 91 4.090 6.052 4.936 1.00 0.00 N ATOM 1215 CA LEU A 91 3.531 6.877 6.002 1.00 0.00 C ATOM 1216 C LEU A 91 4.557 7.904 6.450 1.00 0.00 C ATOM 1217 O LEU A 91 4.261 9.094 6.561 1.00 0.00 O ATOM 1218 CB LEU A 91 3.104 6.019 7.194 1.00 0.00 C ATOM 1219 CG LEU A 91 2.528 4.655 6.832 1.00 0.00 C ATOM 1220 CD1 LEU A 91 2.280 3.829 8.086 1.00 0.00 C ATOM 1221 CD2 LEU A 91 1.245 4.814 6.032 1.00 0.00 C ATOM 0 H LEU A 91 4.211 5.069 5.180 1.00 0.00 H new ATOM 0 HA LEU A 91 2.649 7.387 5.613 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.967 5.872 7.844 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.361 6.569 7.771 1.00 0.00 H new ATOM 0 HG LEU A 91 3.254 4.127 6.214 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.869 2.859 7.807 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.220 3.685 8.619 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.573 4.351 8.731 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.848 3.830 5.782 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.512 5.362 6.625 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.454 5.364 5.115 1.00 0.00 H new ATOM 1233 N SER A 92 5.771 7.429 6.698 1.00 0.00 N ATOM 1234 CA SER A 92 6.859 8.298 7.127 1.00 0.00 C ATOM 1235 C SER A 92 7.087 9.412 6.110 1.00 0.00 C ATOM 1236 O SER A 92 7.460 10.529 6.470 1.00 0.00 O ATOM 1237 CB SER A 92 8.146 7.489 7.313 1.00 0.00 C ATOM 1238 OG SER A 92 8.088 6.701 8.488 1.00 0.00 O ATOM 0 H SER A 92 6.027 6.446 6.609 1.00 0.00 H new ATOM 0 HA SER A 92 6.583 8.746 8.081 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.303 6.845 6.447 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.999 8.165 7.367 1.00 0.00 H new ATOM 0 HG SER A 92 7.651 5.847 8.288 1.00 0.00 H new ATOM 1244 N ALA A 93 6.851 9.101 4.838 1.00 0.00 N ATOM 1245 CA ALA A 93 7.022 10.078 3.770 1.00 0.00 C ATOM 1246 C ALA A 93 5.945 11.154 3.844 1.00 0.00 C ATOM 1247 O ALA A 93 6.242 12.347 3.876 1.00 0.00 O ATOM 1248 CB ALA A 93 6.992 9.389 2.415 1.00 0.00 C ATOM 0 H ALA A 93 6.541 8.181 4.524 1.00 0.00 H new ATOM 0 HA ALA A 93 7.992 10.558 3.896 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.121 10.131 1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.799 8.658 2.361 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.035 8.884 2.285 1.00 0.00 H new ATOM 1254 N LEU A 94 4.689 10.723 3.879 1.00 0.00 N ATOM 1255 CA LEU A 94 3.568 11.650 3.955 1.00 0.00 C ATOM 1256 C LEU A 94 3.672 12.519 5.203 1.00 0.00 C ATOM 1257 O LEU A 94 3.425 13.723 5.157 1.00 0.00 O ATOM 1258 CB LEU A 94 2.243 10.885 3.955 1.00 0.00 C ATOM 1259 CG LEU A 94 2.048 9.925 2.781 1.00 0.00 C ATOM 1260 CD1 LEU A 94 1.010 8.868 3.122 1.00 0.00 C ATOM 1261 CD2 LEU A 94 1.643 10.690 1.530 1.00 0.00 C ATOM 0 H LEU A 94 4.423 9.739 3.856 1.00 0.00 H new ATOM 0 HA LEU A 94 3.600 12.297 3.079 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.168 10.319 4.883 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.425 11.606 3.955 1.00 0.00 H new ATOM 0 HG LEU A 94 2.995 9.423 2.585 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.885 8.194 2.274 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.341 8.300 3.991 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.059 9.351 3.345 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.508 9.992 0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.708 11.219 1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.422 11.408 1.274 1.00 0.00 H new ATOM 1273 N GLN A 95 4.041 11.896 6.317 1.00 0.00 N ATOM 1274 CA GLN A 95 4.181 12.608 7.582 1.00 0.00 C ATOM 1275 C GLN A 95 5.189 13.746 7.461 1.00 0.00 C ATOM 1276 O GLN A 95 4.906 14.880 7.848 1.00 0.00 O ATOM 1277 CB GLN A 95 4.606 11.640 8.691 1.00 0.00 C ATOM 1278 CG GLN A 95 3.530 11.403 9.738 1.00 0.00 C ATOM 1279 CD GLN A 95 2.793 10.095 9.530 1.00 0.00 C ATOM 1280 OE1 GLN A 95 1.466 10.159 9.513 1.00 0.00 O flip ATOM 1281 NE2 GLN A 95 3.407 9.039 9.387 1.00 0.00 N flip ATOM 0 H GLN A 95 4.249 10.899 6.370 1.00 0.00 H new ATOM 0 HA GLN A 95 3.213 13.038 7.838 1.00 0.00 H new ATOM 0 HB2 GLN A 95 4.881 10.685 8.243 1.00 0.00 H new ATOM 0 HB3 GLN A 95 5.498 12.031 9.181 1.00 0.00 H new ATOM 0 HG2 GLN A 95 3.985 11.406 10.728 1.00 0.00 H new ATOM 0 HG3 GLN A 95 2.816 12.226 9.713 1.00 0.00 H new ATOM 0 HE21 GLN A 95 4.427 9.035 9.407 1.00 0.00 H new ATOM 0 HE22 GLN A 95 2.896 8.167 9.249 1.00 0.00 H new ATOM 1290 N LYS A 96 6.364 13.443 6.920 1.00 0.00 N ATOM 1291 CA LYS A 96 7.398 14.453 6.750 1.00 0.00 C ATOM 1292 C LYS A 96 6.912 15.563 5.823 1.00 0.00 C ATOM 1293 O LYS A 96 7.344 16.710 5.929 1.00 0.00 O ATOM 1294 CB LYS A 96 8.686 13.827 6.204 1.00 0.00 C ATOM 1295 CG LYS A 96 8.571 13.320 4.776 1.00 0.00 C ATOM 1296 CD LYS A 96 9.893 13.444 4.034 1.00 0.00 C ATOM 1297 CE LYS A 96 9.797 12.878 2.627 1.00 0.00 C ATOM 1298 NZ LYS A 96 10.980 13.242 1.798 1.00 0.00 N ATOM 0 H LYS A 96 6.622 12.512 6.594 1.00 0.00 H new ATOM 0 HA LYS A 96 7.615 14.885 7.727 1.00 0.00 H new ATOM 0 HB2 LYS A 96 9.486 14.566 6.253 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.977 12.999 6.850 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.253 12.278 4.783 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.802 13.885 4.249 1.00 0.00 H new ATOM 0 HD2 LYS A 96 10.188 14.492 3.986 1.00 0.00 H new ATOM 0 HD3 LYS A 96 10.672 12.919 4.586 1.00 0.00 H new ATOM 0 HE2 LYS A 96 9.710 11.793 2.678 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.891 13.248 2.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 10.875 12.836 0.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.049 14.277 1.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.843 12.867 2.241 1.00 0.00 H new ATOM 1312 N LYS A 97 6.011 15.208 4.909 1.00 0.00 N ATOM 1313 CA LYS A 97 5.463 16.167 3.954 1.00 0.00 C ATOM 1314 C LYS A 97 4.528 17.166 4.631 1.00 0.00 C ATOM 1315 O LYS A 97 4.660 18.375 4.445 1.00 0.00 O ATOM 1316 CB LYS A 97 4.715 15.437 2.835 1.00 0.00 C ATOM 1317 CG LYS A 97 5.623 14.642 1.910 1.00 0.00 C ATOM 1318 CD LYS A 97 5.201 14.784 0.455 1.00 0.00 C ATOM 1319 CE LYS A 97 5.072 13.428 -0.223 1.00 0.00 C ATOM 1320 NZ LYS A 97 6.324 13.036 -0.927 1.00 0.00 N ATOM 0 H LYS A 97 5.645 14.261 4.810 1.00 0.00 H new ATOM 0 HA LYS A 97 6.301 16.720 3.530 1.00 0.00 H new ATOM 0 HB2 LYS A 97 3.983 14.762 3.279 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.159 16.166 2.246 1.00 0.00 H new ATOM 0 HG2 LYS A 97 6.651 14.984 2.026 1.00 0.00 H new ATOM 0 HG3 LYS A 97 5.603 13.590 2.195 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.248 15.311 0.401 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.932 15.391 -0.079 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.823 12.672 0.522 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.248 13.456 -0.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 6.517 12.028 -0.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 6.214 13.199 -1.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 7.117 13.606 -0.569 1.00 0.00 H new ATOM 1334 N LYS A 98 3.574 16.660 5.407 1.00 0.00 N ATOM 1335 CA LYS A 98 2.615 17.528 6.088 1.00 0.00 C ATOM 1336 C LYS A 98 3.275 18.312 7.219 1.00 0.00 C ATOM 1337 O LYS A 98 3.058 19.517 7.356 1.00 0.00 O ATOM 1338 CB LYS A 98 1.431 16.728 6.634 1.00 0.00 C ATOM 1339 CG LYS A 98 1.818 15.458 7.370 1.00 0.00 C ATOM 1340 CD LYS A 98 0.963 14.288 6.920 1.00 0.00 C ATOM 1341 CE LYS A 98 0.633 13.358 8.075 1.00 0.00 C ATOM 1342 NZ LYS A 98 0.317 11.979 7.609 1.00 0.00 N ATOM 0 H LYS A 98 3.444 15.663 5.580 1.00 0.00 H new ATOM 0 HA LYS A 98 2.246 18.236 5.346 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.859 17.364 7.309 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.772 16.467 5.806 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.870 15.235 7.190 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.703 15.606 8.444 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.039 14.661 6.477 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.487 13.732 6.143 1.00 0.00 H new ATOM 0 HE2 LYS A 98 1.476 13.323 8.765 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -0.216 13.757 8.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 0.726 11.287 8.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.715 11.853 7.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 0.719 11.832 6.661 1.00 0.00 H new ATOM 1356 N GLN A 99 4.074 17.627 8.031 1.00 0.00 N ATOM 1357 CA GLN A 99 4.751 18.274 9.151 1.00 0.00 C ATOM 1358 C GLN A 99 5.661 19.402 8.671 1.00 0.00 C ATOM 1359 O GLN A 99 5.646 20.501 9.226 1.00 0.00 O ATOM 1360 CB GLN A 99 5.557 17.249 9.954 1.00 0.00 C ATOM 1361 CG GLN A 99 6.811 16.763 9.249 1.00 0.00 C ATOM 1362 CD GLN A 99 7.544 15.696 10.037 1.00 0.00 C ATOM 1363 OE1 GLN A 99 7.102 14.549 10.113 1.00 0.00 O ATOM 1364 NE2 GLN A 99 8.672 16.067 10.633 1.00 0.00 N ATOM 0 H GLN A 99 4.268 16.630 7.936 1.00 0.00 H new ATOM 0 HA GLN A 99 3.987 18.707 9.797 1.00 0.00 H new ATOM 0 HB2 GLN A 99 5.838 17.691 10.910 1.00 0.00 H new ATOM 0 HB3 GLN A 99 4.920 16.392 10.173 1.00 0.00 H new ATOM 0 HG2 GLN A 99 6.543 16.367 8.270 1.00 0.00 H new ATOM 0 HG3 GLN A 99 7.479 17.608 9.079 1.00 0.00 H new ATOM 0 HE21 GLN A 99 9.003 17.028 10.545 1.00 0.00 H new ATOM 0 HE22 GLN A 99 9.207 15.391 11.179 1.00 0.00 H new ATOM 1373 N GLN A 100 6.454 19.127 7.639 1.00 0.00 N ATOM 1374 CA GLN A 100 7.366 20.129 7.097 1.00 0.00 C ATOM 1375 C GLN A 100 6.593 21.307 6.509 1.00 0.00 C ATOM 1376 O GLN A 100 6.988 22.462 6.666 1.00 0.00 O ATOM 1377 CB GLN A 100 8.277 19.507 6.032 1.00 0.00 C ATOM 1378 CG GLN A 100 7.597 19.271 4.692 1.00 0.00 C ATOM 1379 CD GLN A 100 8.558 18.776 3.629 1.00 0.00 C ATOM 1380 OE1 GLN A 100 9.163 19.567 2.906 1.00 0.00 O ATOM 1381 NE2 GLN A 100 8.704 17.461 3.529 1.00 0.00 N ATOM 0 H GLN A 100 6.484 18.225 7.164 1.00 0.00 H new ATOM 0 HA GLN A 100 7.986 20.499 7.914 1.00 0.00 H new ATOM 0 HB2 GLN A 100 9.138 20.158 5.880 1.00 0.00 H new ATOM 0 HB3 GLN A 100 8.658 18.557 6.406 1.00 0.00 H new ATOM 0 HG2 GLN A 100 6.795 18.543 4.819 1.00 0.00 H new ATOM 0 HG3 GLN A 100 7.135 20.199 4.355 1.00 0.00 H new ATOM 0 HE21 GLN A 100 8.183 16.841 4.149 1.00 0.00 H new ATOM 0 HE22 GLN A 100 9.338 17.070 2.832 1.00 0.00 H new ATOM 1390 N GLU A 101 5.488 21.005 5.834 1.00 0.00 N ATOM 1391 CA GLU A 101 4.658 22.039 5.225 1.00 0.00 C ATOM 1392 C GLU A 101 4.032 22.930 6.293 1.00 0.00 C ATOM 1393 O GLU A 101 3.779 24.113 6.060 1.00 0.00 O ATOM 1394 CB GLU A 101 3.564 21.402 4.367 1.00 0.00 C ATOM 1395 CG GLU A 101 3.915 21.328 2.890 1.00 0.00 C ATOM 1396 CD GLU A 101 3.144 22.332 2.055 1.00 0.00 C ATOM 1397 OE1 GLU A 101 3.456 23.538 2.138 1.00 0.00 O ATOM 1398 OE2 GLU A 101 2.226 21.912 1.319 1.00 0.00 O ATOM 0 H GLU A 101 5.147 20.054 5.695 1.00 0.00 H new ATOM 0 HA GLU A 101 5.293 22.656 4.590 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.365 20.396 4.735 1.00 0.00 H new ATOM 0 HB3 GLU A 101 2.643 21.973 4.485 1.00 0.00 H new ATOM 0 HG2 GLU A 101 4.984 21.502 2.765 1.00 0.00 H new ATOM 0 HG3 GLU A 101 3.711 20.322 2.522 1.00 0.00 H new ATOM 1405 N GLU A 102 3.784 22.357 7.467 1.00 0.00 N ATOM 1406 CA GLU A 102 3.186 23.100 8.571 1.00 0.00 C ATOM 1407 C GLU A 102 4.257 23.821 9.384 1.00 0.00 C ATOM 1408 O GLU A 102 4.448 25.029 9.244 1.00 0.00 O ATOM 1409 CB GLU A 102 2.388 22.158 9.476 1.00 0.00 C ATOM 1410 CG GLU A 102 1.120 21.625 8.830 1.00 0.00 C ATOM 1411 CD GLU A 102 -0.031 21.514 9.812 1.00 0.00 C ATOM 1412 OE1 GLU A 102 0.138 20.838 10.850 1.00 0.00 O ATOM 1413 OE2 GLU A 102 -1.099 22.102 9.543 1.00 0.00 O ATOM 0 H GLU A 102 3.988 21.380 7.678 1.00 0.00 H new ATOM 0 HA GLU A 102 2.511 23.846 8.151 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.021 21.318 9.761 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.125 22.685 10.393 1.00 0.00 H new ATOM 0 HG2 GLU A 102 0.831 22.281 8.009 1.00 0.00 H new ATOM 0 HG3 GLU A 102 1.321 20.644 8.398 1.00 0.00 H new ATOM 1420 N GLU A 103 4.951 23.073 10.237 1.00 0.00 N ATOM 1421 CA GLU A 103 6.001 23.644 11.073 1.00 0.00 C ATOM 1422 C GLU A 103 7.203 22.709 11.148 1.00 0.00 C ATOM 1423 O GLU A 103 8.336 23.117 10.891 1.00 0.00 O ATOM 1424 CB GLU A 103 5.466 23.920 12.479 1.00 0.00 C ATOM 1425 CG GLU A 103 4.663 22.769 13.062 1.00 0.00 C ATOM 1426 CD GLU A 103 3.802 23.193 14.237 1.00 0.00 C ATOM 1427 OE1 GLU A 103 4.339 23.833 15.165 1.00 0.00 O ATOM 1428 OE2 GLU A 103 2.593 22.884 14.228 1.00 0.00 O ATOM 0 H GLU A 103 4.805 22.072 10.367 1.00 0.00 H new ATOM 0 HA GLU A 103 6.322 24.583 10.622 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.304 24.139 13.141 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.840 24.812 12.452 1.00 0.00 H new ATOM 0 HG2 GLU A 103 4.027 22.345 12.285 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.345 21.981 13.382 1.00 0.00 H new TER 1435 GLU A 103