USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=22 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 96 LYS NZ :NH3+ 161:sc= 0.00969 (180deg=-0.198) USER MOD Set 1.2: A 97 LYS NZ :NH3+ 172:sc= 0.168 (180deg=0.134) USER MOD Set 2.1: A 95 GLN : amide:sc= -3 K(o=-3.6,f=-7!) USER MOD Set 2.2: A 98 LYS NZ :NH3+ -158:sc= -0.564 (180deg=-0.859) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot -160:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 148:sc= 0.381 (180deg=0.0467) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.498 USER MOD Single : A 28 LYS NZ :NH3+ -150:sc= 1.53 (180deg=1.1) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN :FLIP amide:sc= -0.175 F(o=-0.98,f=-0.18) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -150:sc= 0.0773 (180deg=-2.35!) USER MOD Single : A 49 ASN : amide:sc= -5.52 K(o=-5.5,f=-13!) USER MOD Single : A 51 GLN : amide:sc=-0.00142 X(o=-0.0014,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -5.44 K(o=-5.4,f=-12!) USER MOD Single : A 58 SER OG : rot 160:sc= -0.509 USER MOD Single : A 63 MET CE :methyl -147:sc= -6.4! (180deg=-7.59!) USER MOD Single : A 65 LYS NZ :NH3+ 148:sc= 0.104 (180deg=-0.215) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot -54:sc= 0.00344 USER MOD Single : A 69 THR OG1 : rot 88:sc= -0.81 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl -152:sc= -2.18 (180deg=-5.09!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 77 GLN : amide:sc= -0.0406 K(o=-0.041,f=-1.1!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 90:sc= 1.09 USER MOD Single : A 92 SER OG : rot 81:sc= 0.352 USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 100 GLN :FLIP amide:sc= -0.0198 F(o=-0.96,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 16 -11.478 -26.778 1.285 1.00 0.00 N ATOM 2 CA GLN A 16 -10.412 -25.818 1.019 1.00 0.00 C ATOM 3 C GLN A 16 -10.793 -24.429 1.522 1.00 0.00 C ATOM 4 O GLN A 16 -11.949 -24.017 1.422 1.00 0.00 O ATOM 5 CB GLN A 16 -10.106 -25.767 -0.478 1.00 0.00 C ATOM 6 CG GLN A 16 -9.252 -26.926 -0.966 1.00 0.00 C ATOM 7 CD GLN A 16 -7.784 -26.565 -1.072 1.00 0.00 C ATOM 8 OE1 GLN A 16 -7.044 -26.633 -0.090 1.00 0.00 O ATOM 9 NE2 GLN A 16 -7.355 -26.176 -2.267 1.00 0.00 N ATOM 0 HA GLN A 16 -9.520 -26.145 1.553 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.045 -25.760 -1.032 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -9.596 -24.831 -0.704 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.367 -27.769 -0.284 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.613 -27.253 -1.941 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.004 -26.135 -3.053 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.377 -25.919 -2.399 1.00 0.00 H new ATOM 18 N GLY A 17 -9.814 -23.711 2.063 1.00 0.00 N ATOM 19 CA GLY A 17 -10.067 -22.377 2.572 1.00 0.00 C ATOM 20 C GLY A 17 -8.903 -21.433 2.333 1.00 0.00 C ATOM 21 O GLY A 17 -7.805 -21.874 1.995 1.00 0.00 O ATOM 0 H GLY A 17 -8.850 -24.030 2.158 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.961 -21.974 2.096 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -10.272 -22.432 3.641 1.00 0.00 H new ATOM 25 N PRO A 18 -9.114 -20.116 2.502 1.00 0.00 N ATOM 26 CA PRO A 18 -8.062 -19.116 2.297 1.00 0.00 C ATOM 27 C PRO A 18 -6.798 -19.434 3.088 1.00 0.00 C ATOM 28 O PRO A 18 -5.731 -19.647 2.513 1.00 0.00 O ATOM 29 CB PRO A 18 -8.698 -17.819 2.805 1.00 0.00 C ATOM 30 CG PRO A 18 -10.164 -18.035 2.662 1.00 0.00 C ATOM 31 CD PRO A 18 -10.393 -19.501 2.903 1.00 0.00 C ATOM 0 HA PRO A 18 -7.742 -19.070 1.256 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.426 -17.624 3.842 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.366 -16.960 2.222 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -10.719 -17.430 3.379 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -10.506 -17.745 1.668 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -10.627 -19.705 3.948 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.225 -19.881 2.310 1.00 0.00 H new ATOM 39 N GLY A 19 -6.926 -19.465 4.412 1.00 0.00 N ATOM 40 CA GLY A 19 -5.785 -19.758 5.260 1.00 0.00 C ATOM 41 C GLY A 19 -4.836 -18.582 5.383 1.00 0.00 C ATOM 42 O GLY A 19 -4.991 -17.742 6.270 1.00 0.00 O ATOM 0 H GLY A 19 -7.799 -19.293 4.911 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -6.137 -20.042 6.252 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.246 -20.615 4.855 1.00 0.00 H new ATOM 46 N SER A 20 -3.852 -18.522 4.492 1.00 0.00 N ATOM 47 CA SER A 20 -2.875 -17.440 4.504 1.00 0.00 C ATOM 48 C SER A 20 -3.393 -16.227 3.737 1.00 0.00 C ATOM 49 O SER A 20 -2.974 -15.097 3.990 1.00 0.00 O ATOM 50 CB SER A 20 -1.552 -17.913 3.897 1.00 0.00 C ATOM 51 OG SER A 20 -0.680 -18.405 4.899 1.00 0.00 O ATOM 0 H SER A 20 -3.710 -19.210 3.753 1.00 0.00 H new ATOM 0 HA SER A 20 -2.709 -17.147 5.541 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.744 -18.694 3.162 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.075 -17.088 3.368 1.00 0.00 H new ATOM 0 HG SER A 20 0.240 -18.402 4.562 1.00 0.00 H new ATOM 57 N LEU A 21 -4.306 -16.466 2.802 1.00 0.00 N ATOM 58 CA LEU A 21 -4.883 -15.393 1.997 1.00 0.00 C ATOM 59 C LEU A 21 -5.489 -14.309 2.884 1.00 0.00 C ATOM 60 O LEU A 21 -5.479 -13.129 2.531 1.00 0.00 O ATOM 61 CB LEU A 21 -5.950 -15.953 1.055 1.00 0.00 C ATOM 62 CG LEU A 21 -5.419 -16.512 -0.266 1.00 0.00 C ATOM 63 CD1 LEU A 21 -6.157 -17.786 -0.644 1.00 0.00 C ATOM 64 CD2 LEU A 21 -5.542 -15.475 -1.373 1.00 0.00 C ATOM 0 H LEU A 21 -4.664 -17.395 2.582 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.083 -14.946 1.406 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.493 -16.743 1.574 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.669 -15.164 0.835 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.364 -16.753 -0.136 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.765 -18.168 -1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.016 -18.533 0.137 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.220 -17.572 -0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.159 -15.891 -2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.589 -15.202 -1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.966 -14.589 -1.107 1.00 0.00 H new ATOM 76 N VAL A 22 -6.018 -14.716 4.034 1.00 0.00 N ATOM 77 CA VAL A 22 -6.631 -13.781 4.970 1.00 0.00 C ATOM 78 C VAL A 22 -5.679 -12.636 5.315 1.00 0.00 C ATOM 79 O VAL A 22 -6.072 -11.470 5.315 1.00 0.00 O ATOM 80 CB VAL A 22 -7.065 -14.489 6.268 1.00 0.00 C ATOM 81 CG1 VAL A 22 -5.864 -15.092 6.980 1.00 0.00 C ATOM 82 CG2 VAL A 22 -7.810 -13.525 7.181 1.00 0.00 C ATOM 0 H VAL A 22 -6.034 -15.689 4.340 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.513 -13.374 4.476 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.743 -15.301 6.005 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.193 -15.587 7.894 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.381 -15.819 6.327 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.155 -14.303 7.230 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.108 -14.044 8.092 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.159 -12.689 7.436 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.697 -13.151 6.669 1.00 0.00 H new ATOM 92 N LYS A 23 -4.427 -12.978 5.608 1.00 0.00 N ATOM 93 CA LYS A 23 -3.426 -11.974 5.951 1.00 0.00 C ATOM 94 C LYS A 23 -3.246 -10.985 4.805 1.00 0.00 C ATOM 95 O LYS A 23 -3.224 -9.769 5.012 1.00 0.00 O ATOM 96 CB LYS A 23 -2.091 -12.644 6.279 1.00 0.00 C ATOM 97 CG LYS A 23 -2.149 -13.548 7.501 1.00 0.00 C ATOM 98 CD LYS A 23 -2.027 -15.015 7.116 1.00 0.00 C ATOM 99 CE LYS A 23 -1.968 -15.911 8.344 1.00 0.00 C ATOM 100 NZ LYS A 23 -3.166 -16.789 8.451 1.00 0.00 N ATOM 0 H LYS A 23 -4.083 -13.938 5.615 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.773 -11.431 6.830 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.767 -13.230 5.419 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.337 -11.874 6.442 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.346 -13.283 8.189 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.088 -13.387 8.030 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.877 -15.301 6.496 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.130 -15.161 6.514 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.070 -16.527 8.301 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.889 -15.294 9.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.898 -17.689 8.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.891 -16.318 9.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.547 -16.974 7.501 1.00 0.00 H new ATOM 114 N VAL A 24 -3.128 -11.518 3.595 1.00 0.00 N ATOM 115 CA VAL A 24 -2.960 -10.689 2.408 1.00 0.00 C ATOM 116 C VAL A 24 -4.111 -9.697 2.277 1.00 0.00 C ATOM 117 O VAL A 24 -3.902 -8.518 1.989 1.00 0.00 O ATOM 118 CB VAL A 24 -2.881 -11.548 1.132 1.00 0.00 C ATOM 119 CG1 VAL A 24 -2.495 -10.694 -0.065 1.00 0.00 C ATOM 120 CG2 VAL A 24 -1.898 -12.693 1.319 1.00 0.00 C ATOM 0 H VAL A 24 -3.146 -12.521 3.410 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.023 -10.144 2.522 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.866 -11.973 0.942 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.444 -11.319 -0.957 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.242 -9.913 -0.211 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.522 -10.237 0.113 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.856 -13.289 0.407 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.908 -12.291 1.536 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.224 -13.321 2.148 1.00 0.00 H new ATOM 130 N GLY A 25 -5.328 -10.184 2.504 1.00 0.00 N ATOM 131 CA GLY A 25 -6.494 -9.327 2.421 1.00 0.00 C ATOM 132 C GLY A 25 -6.466 -8.233 3.467 1.00 0.00 C ATOM 133 O GLY A 25 -6.866 -7.097 3.203 1.00 0.00 O ATOM 0 H GLY A 25 -5.526 -11.156 2.743 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.545 -8.879 1.429 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.395 -9.927 2.547 1.00 0.00 H new ATOM 137 N THR A 26 -5.980 -8.571 4.659 1.00 0.00 N ATOM 138 CA THR A 26 -5.890 -7.609 5.750 1.00 0.00 C ATOM 139 C THR A 26 -5.059 -6.404 5.323 1.00 0.00 C ATOM 140 O THR A 26 -5.464 -5.257 5.514 1.00 0.00 O ATOM 141 CB THR A 26 -5.270 -8.262 6.986 1.00 0.00 C ATOM 142 OG1 THR A 26 -5.596 -9.639 7.042 1.00 0.00 O ATOM 143 CG2 THR A 26 -5.721 -7.631 8.286 1.00 0.00 C ATOM 0 H THR A 26 -5.643 -9.505 4.892 1.00 0.00 H new ATOM 0 HA THR A 26 -6.896 -7.273 6.000 1.00 0.00 H new ATOM 0 HB THR A 26 -4.195 -8.114 6.882 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.189 -10.039 7.838 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.244 -8.141 9.123 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.440 -6.578 8.296 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.804 -7.719 8.377 1.00 0.00 H new ATOM 151 N LEU A 27 -3.900 -6.672 4.733 1.00 0.00 N ATOM 152 CA LEU A 27 -3.025 -5.604 4.269 1.00 0.00 C ATOM 153 C LEU A 27 -3.734 -4.770 3.213 1.00 0.00 C ATOM 154 O LEU A 27 -3.645 -3.542 3.218 1.00 0.00 O ATOM 155 CB LEU A 27 -1.723 -6.179 3.706 1.00 0.00 C ATOM 156 CG LEU A 27 -0.495 -5.282 3.870 1.00 0.00 C ATOM 157 CD1 LEU A 27 0.744 -6.115 4.153 1.00 0.00 C ATOM 158 CD2 LEU A 27 -0.291 -4.426 2.627 1.00 0.00 C ATOM 0 H LEU A 27 -3.546 -7.614 4.566 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.778 -4.965 5.117 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.524 -7.134 4.193 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.864 -6.386 2.645 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.664 -4.621 4.720 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.606 -5.458 4.266 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.598 -6.684 5.071 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.918 -6.802 3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.587 -3.794 2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.145 -5.071 1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.169 -3.799 2.469 1.00 0.00 H new ATOM 170 N LYS A 28 -4.459 -5.440 2.321 1.00 0.00 N ATOM 171 CA LYS A 28 -5.205 -4.744 1.280 1.00 0.00 C ATOM 172 C LYS A 28 -6.093 -3.684 1.917 1.00 0.00 C ATOM 173 O LYS A 28 -6.235 -2.574 1.399 1.00 0.00 O ATOM 174 CB LYS A 28 -6.053 -5.731 0.476 1.00 0.00 C ATOM 175 CG LYS A 28 -6.737 -5.105 -0.730 1.00 0.00 C ATOM 176 CD LYS A 28 -6.033 -5.472 -2.028 1.00 0.00 C ATOM 177 CE LYS A 28 -7.010 -6.010 -3.062 1.00 0.00 C ATOM 178 NZ LYS A 28 -6.664 -5.564 -4.439 1.00 0.00 N ATOM 0 H LYS A 28 -4.545 -6.456 2.299 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.502 -4.265 0.598 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.419 -6.551 0.139 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.811 -6.162 1.130 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.775 -5.436 -0.772 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.752 -4.021 -0.618 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.526 -4.594 -2.428 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.266 -6.220 -1.828 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.015 -7.099 -3.024 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.018 -5.678 -2.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.531 -5.489 -5.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.196 -4.636 -4.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.022 -6.255 -4.877 1.00 0.00 H new ATOM 192 N LYS A 29 -6.663 -4.032 3.067 1.00 0.00 N ATOM 193 CA LYS A 29 -7.512 -3.111 3.804 1.00 0.00 C ATOM 194 C LYS A 29 -6.678 -1.938 4.301 1.00 0.00 C ATOM 195 O LYS A 29 -7.111 -0.786 4.247 1.00 0.00 O ATOM 196 CB LYS A 29 -8.183 -3.821 4.981 1.00 0.00 C ATOM 197 CG LYS A 29 -9.597 -4.291 4.683 1.00 0.00 C ATOM 198 CD LYS A 29 -9.615 -5.734 4.205 1.00 0.00 C ATOM 199 CE LYS A 29 -11.018 -6.177 3.819 1.00 0.00 C ATOM 200 NZ LYS A 29 -11.026 -6.937 2.539 1.00 0.00 N ATOM 0 H LYS A 29 -6.550 -4.946 3.506 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.294 -2.742 3.140 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.577 -4.680 5.270 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.206 -3.146 5.836 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.210 -4.196 5.579 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.042 -3.649 3.923 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.950 -5.843 3.349 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.231 -6.384 4.992 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.434 -6.798 4.613 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.663 -5.303 3.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.000 -7.221 2.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.652 -6.337 1.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.431 -7.785 2.635 1.00 0.00 H new ATOM 214 N ARG A 30 -5.465 -2.237 4.766 1.00 0.00 N ATOM 215 CA ARG A 30 -4.564 -1.200 5.247 1.00 0.00 C ATOM 216 C ARG A 30 -4.210 -0.255 4.106 1.00 0.00 C ATOM 217 O ARG A 30 -4.023 0.946 4.309 1.00 0.00 O ATOM 218 CB ARG A 30 -3.294 -1.822 5.830 1.00 0.00 C ATOM 219 CG ARG A 30 -3.563 -2.824 6.944 1.00 0.00 C ATOM 220 CD ARG A 30 -3.378 -2.195 8.315 1.00 0.00 C ATOM 221 NE ARG A 30 -3.397 -3.193 9.382 1.00 0.00 N ATOM 222 CZ ARG A 30 -2.429 -4.085 9.580 1.00 0.00 C ATOM 223 NH1 ARG A 30 -1.364 -4.108 8.787 1.00 0.00 N ATOM 224 NH2 ARG A 30 -2.524 -4.956 10.575 1.00 0.00 N ATOM 0 H ARG A 30 -5.089 -3.184 4.818 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.065 -0.637 6.035 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.743 -2.318 5.031 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.653 -1.028 6.214 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.579 -3.207 6.852 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.891 -3.675 6.839 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.432 -1.654 8.341 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.168 -1.464 8.488 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.199 -3.207 10.012 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.284 -3.440 8.021 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.626 -4.794 8.944 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -3.339 -4.943 11.189 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.782 -5.640 10.727 1.00 0.00 H new ATOM 238 N LEU A 31 -4.134 -0.808 2.898 1.00 0.00 N ATOM 239 CA LEU A 31 -3.820 -0.020 1.716 1.00 0.00 C ATOM 240 C LEU A 31 -4.898 1.028 1.481 1.00 0.00 C ATOM 241 O LEU A 31 -4.602 2.209 1.291 1.00 0.00 O ATOM 242 CB LEU A 31 -3.688 -0.924 0.489 1.00 0.00 C ATOM 243 CG LEU A 31 -2.564 -0.542 -0.473 1.00 0.00 C ATOM 244 CD1 LEU A 31 -1.994 -1.780 -1.147 1.00 0.00 C ATOM 245 CD2 LEU A 31 -3.066 0.450 -1.511 1.00 0.00 C ATOM 0 H LEU A 31 -4.286 -1.800 2.715 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.868 0.484 1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.526 -1.948 0.826 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.632 -0.913 -0.056 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.767 -0.067 0.099 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.195 -1.488 -1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.596 -2.456 -0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.781 -2.285 -1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.253 0.711 -2.188 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.881 0.001 -2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.425 1.350 -1.011 1.00 0.00 H new ATOM 257 N ASP A 32 -6.155 0.591 1.508 1.00 0.00 N ATOM 258 CA ASP A 32 -7.280 1.498 1.313 1.00 0.00 C ATOM 259 C ASP A 32 -7.247 2.608 2.357 1.00 0.00 C ATOM 260 O ASP A 32 -7.555 3.764 2.065 1.00 0.00 O ATOM 261 CB ASP A 32 -8.603 0.734 1.400 1.00 0.00 C ATOM 262 CG ASP A 32 -9.099 0.278 0.041 1.00 0.00 C ATOM 263 OD1 ASP A 32 -9.559 1.136 -0.740 1.00 0.00 O ATOM 264 OD2 ASP A 32 -9.026 -0.936 -0.240 1.00 0.00 O ATOM 0 H ASP A 32 -6.418 -0.382 1.663 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.199 1.943 0.321 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.476 -0.134 2.047 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.357 1.370 1.864 1.00 0.00 H new ATOM 269 N LYS A 33 -6.854 2.245 3.575 1.00 0.00 N ATOM 270 CA LYS A 33 -6.760 3.205 4.666 1.00 0.00 C ATOM 271 C LYS A 33 -5.787 4.324 4.304 1.00 0.00 C ATOM 272 O LYS A 33 -6.062 5.502 4.537 1.00 0.00 O ATOM 273 CB LYS A 33 -6.309 2.500 5.950 1.00 0.00 C ATOM 274 CG LYS A 33 -5.909 3.447 7.070 1.00 0.00 C ATOM 275 CD LYS A 33 -7.047 4.384 7.443 1.00 0.00 C ATOM 276 CE LYS A 33 -6.529 5.658 8.091 1.00 0.00 C ATOM 277 NZ LYS A 33 -6.468 5.542 9.574 1.00 0.00 N ATOM 0 H LYS A 33 -6.596 1.292 3.829 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.744 3.643 4.835 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.117 1.858 6.302 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.464 1.851 5.718 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.610 2.871 7.945 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.042 4.031 6.761 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.620 4.635 6.551 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.728 3.877 8.127 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.536 5.884 7.704 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.175 6.492 7.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.110 6.431 9.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.420 5.351 9.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.831 4.762 9.835 1.00 0.00 H new ATOM 291 N PHE A 34 -4.651 3.946 3.724 1.00 0.00 N ATOM 292 CA PHE A 34 -3.644 4.917 3.320 1.00 0.00 C ATOM 293 C PHE A 34 -4.209 5.856 2.260 1.00 0.00 C ATOM 294 O PHE A 34 -3.961 7.060 2.287 1.00 0.00 O ATOM 295 CB PHE A 34 -2.401 4.206 2.783 1.00 0.00 C ATOM 296 CG PHE A 34 -1.856 3.158 3.712 1.00 0.00 C ATOM 297 CD1 PHE A 34 -1.825 3.374 5.082 1.00 0.00 C ATOM 298 CD2 PHE A 34 -1.375 1.958 3.217 1.00 0.00 C ATOM 299 CE1 PHE A 34 -1.325 2.412 5.937 1.00 0.00 C ATOM 300 CE2 PHE A 34 -0.873 0.992 4.068 1.00 0.00 C ATOM 301 CZ PHE A 34 -0.847 1.219 5.431 1.00 0.00 C ATOM 0 H PHE A 34 -4.407 2.976 3.524 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.361 5.503 4.194 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.644 3.741 1.827 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.625 4.946 2.589 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.196 4.305 5.484 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.392 1.775 2.153 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.308 2.592 7.002 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.501 0.060 3.668 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.454 0.466 6.098 1.00 0.00 H new ATOM 311 N ASN A 35 -4.977 5.294 1.332 1.00 0.00 N ATOM 312 CA ASN A 35 -5.586 6.078 0.265 1.00 0.00 C ATOM 313 C ASN A 35 -6.429 7.211 0.843 1.00 0.00 C ATOM 314 O ASN A 35 -6.350 8.351 0.387 1.00 0.00 O ATOM 315 CB ASN A 35 -6.451 5.183 -0.625 1.00 0.00 C ATOM 316 CG ASN A 35 -6.066 5.278 -2.090 1.00 0.00 C ATOM 317 OD1 ASN A 35 -4.982 4.608 -2.461 1.00 0.00 O flip ATOM 318 ND2 ASN A 35 -6.737 5.947 -2.876 1.00 0.00 N flip ATOM 0 H ASN A 35 -5.192 4.298 1.298 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.788 6.511 -0.338 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.359 4.148 -0.294 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.498 5.463 -0.508 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -7.563 6.446 -2.545 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -6.467 6.003 -3.858 1.00 0.00 H new ATOM 325 N GLU A 36 -7.232 6.888 1.852 1.00 0.00 N ATOM 326 CA GLU A 36 -8.087 7.880 2.497 1.00 0.00 C ATOM 327 C GLU A 36 -7.248 9.008 3.087 1.00 0.00 C ATOM 328 O GLU A 36 -7.457 10.183 2.778 1.00 0.00 O ATOM 329 CB GLU A 36 -8.928 7.226 3.593 1.00 0.00 C ATOM 330 CG GLU A 36 -9.923 8.173 4.243 1.00 0.00 C ATOM 331 CD GLU A 36 -11.066 7.444 4.921 1.00 0.00 C ATOM 332 OE1 GLU A 36 -11.556 6.447 4.349 1.00 0.00 O ATOM 333 OE2 GLU A 36 -11.470 7.868 6.024 1.00 0.00 O ATOM 0 H GLU A 36 -7.309 5.948 2.241 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.754 8.298 1.743 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.468 6.380 3.169 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.264 6.828 4.360 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.405 8.790 4.977 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.325 8.847 3.486 1.00 0.00 H new ATOM 340 N VAL A 37 -6.296 8.641 3.935 1.00 0.00 N ATOM 341 CA VAL A 37 -5.418 9.616 4.569 1.00 0.00 C ATOM 342 C VAL A 37 -4.703 10.466 3.524 1.00 0.00 C ATOM 343 O VAL A 37 -4.510 11.668 3.709 1.00 0.00 O ATOM 344 CB VAL A 37 -4.368 8.929 5.463 1.00 0.00 C ATOM 345 CG1 VAL A 37 -3.575 9.963 6.248 1.00 0.00 C ATOM 346 CG2 VAL A 37 -5.034 7.935 6.400 1.00 0.00 C ATOM 0 H VAL A 37 -6.112 7.673 4.200 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.046 10.256 5.189 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.675 8.383 4.823 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.839 9.459 6.874 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.065 10.633 5.556 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.252 10.539 6.878 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.277 7.459 7.024 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.751 8.457 7.034 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.552 7.175 5.815 1.00 0.00 H new ATOM 356 N VAL A 38 -4.317 9.830 2.423 1.00 0.00 N ATOM 357 CA VAL A 38 -3.628 10.523 1.343 1.00 0.00 C ATOM 358 C VAL A 38 -4.602 11.378 0.537 1.00 0.00 C ATOM 359 O VAL A 38 -4.240 12.444 0.039 1.00 0.00 O ATOM 360 CB VAL A 38 -2.925 9.525 0.400 1.00 0.00 C ATOM 361 CG1 VAL A 38 -2.156 10.258 -0.691 1.00 0.00 C ATOM 362 CG2 VAL A 38 -2.000 8.615 1.192 1.00 0.00 C ATOM 0 H VAL A 38 -4.470 8.835 2.256 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.877 11.168 1.799 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.687 8.912 -0.082 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.669 9.533 -1.343 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.846 10.866 -1.276 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.402 10.900 -0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.510 7.916 0.515 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.246 9.216 1.700 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.580 8.060 1.930 1.00 0.00 H new ATOM 372 N SER A 39 -5.839 10.908 0.420 1.00 0.00 N ATOM 373 CA SER A 39 -6.863 11.635 -0.320 1.00 0.00 C ATOM 374 C SER A 39 -7.142 12.981 0.340 1.00 0.00 C ATOM 375 O SER A 39 -7.460 13.962 -0.333 1.00 0.00 O ATOM 376 CB SER A 39 -8.152 10.815 -0.399 1.00 0.00 C ATOM 377 OG SER A 39 -8.801 11.001 -1.645 1.00 0.00 O ATOM 0 H SER A 39 -6.156 10.028 0.827 1.00 0.00 H new ATOM 0 HA SER A 39 -6.495 11.808 -1.331 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.923 9.758 -0.259 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.822 11.106 0.410 1.00 0.00 H new ATOM 0 HG SER A 39 -9.621 10.465 -1.670 1.00 0.00 H new ATOM 383 N ALA A 40 -7.017 13.017 1.661 1.00 0.00 N ATOM 384 CA ALA A 40 -7.252 14.241 2.419 1.00 0.00 C ATOM 385 C ALA A 40 -6.017 15.142 2.427 1.00 0.00 C ATOM 386 O ALA A 40 -6.043 16.235 2.993 1.00 0.00 O ATOM 387 CB ALA A 40 -7.669 13.905 3.843 1.00 0.00 C ATOM 0 H ALA A 40 -6.754 12.213 2.230 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.058 14.787 1.930 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.841 14.827 4.399 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.586 13.316 3.824 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.879 13.332 4.328 1.00 0.00 H new ATOM 393 N LEU A 41 -4.937 14.681 1.799 1.00 0.00 N ATOM 394 CA LEU A 41 -3.701 15.453 1.742 1.00 0.00 C ATOM 395 C LEU A 41 -3.682 16.365 0.520 1.00 0.00 C ATOM 396 O LEU A 41 -3.518 17.578 0.642 1.00 0.00 O ATOM 397 CB LEU A 41 -2.490 14.517 1.710 1.00 0.00 C ATOM 398 CG LEU A 41 -2.140 13.866 3.048 1.00 0.00 C ATOM 399 CD1 LEU A 41 -0.957 12.922 2.889 1.00 0.00 C ATOM 400 CD2 LEU A 41 -1.837 14.929 4.095 1.00 0.00 C ATOM 0 H LEU A 41 -4.894 13.779 1.324 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.651 16.073 2.637 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.677 13.731 0.979 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.625 15.079 1.359 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.000 13.286 3.384 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.722 12.468 3.852 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.208 12.141 2.171 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.092 13.480 2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.590 14.448 5.041 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.993 15.535 3.765 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.711 15.567 4.230 1.00 0.00 H new ATOM 412 N LYS A 42 -3.849 15.770 -0.659 1.00 0.00 N ATOM 413 CA LYS A 42 -3.852 16.520 -1.917 1.00 0.00 C ATOM 414 C LYS A 42 -2.444 16.970 -2.309 1.00 0.00 C ATOM 415 O LYS A 42 -2.266 17.670 -3.307 1.00 0.00 O ATOM 416 CB LYS A 42 -4.771 17.739 -1.814 1.00 0.00 C ATOM 417 CG LYS A 42 -6.141 17.421 -1.233 1.00 0.00 C ATOM 418 CD LYS A 42 -6.271 17.917 0.198 1.00 0.00 C ATOM 419 CE LYS A 42 -7.676 18.418 0.487 1.00 0.00 C ATOM 420 NZ LYS A 42 -7.773 19.899 0.362 1.00 0.00 N ATOM 0 H LYS A 42 -3.985 14.765 -0.771 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.225 15.850 -2.692 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.289 18.495 -1.194 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.898 18.173 -2.806 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.914 17.880 -1.849 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.308 16.344 -1.262 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.022 17.111 0.888 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.554 18.719 0.373 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.378 17.949 -0.202 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.969 18.118 1.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.747 20.202 0.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.122 20.348 1.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.518 20.183 -0.605 1.00 0.00 H new ATOM 434 N ASP A 43 -1.447 16.567 -1.526 1.00 0.00 N ATOM 435 CA ASP A 43 -0.062 16.932 -1.803 1.00 0.00 C ATOM 436 C ASP A 43 0.775 15.692 -2.099 1.00 0.00 C ATOM 437 O ASP A 43 0.632 14.664 -1.439 1.00 0.00 O ATOM 438 CB ASP A 43 0.534 17.695 -0.619 1.00 0.00 C ATOM 439 CG ASP A 43 0.257 17.014 0.708 1.00 0.00 C ATOM 440 OD1 ASP A 43 0.414 15.777 0.784 1.00 0.00 O ATOM 441 OD2 ASP A 43 -0.117 17.717 1.670 1.00 0.00 O ATOM 0 H ASP A 43 -1.573 15.988 -0.696 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.050 17.576 -2.682 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.611 17.790 -0.757 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.125 18.705 -0.598 1.00 0.00 H new ATOM 446 N GLY A 44 1.646 15.794 -3.100 1.00 0.00 N ATOM 447 CA GLY A 44 2.488 14.669 -3.465 1.00 0.00 C ATOM 448 C GLY A 44 1.679 13.443 -3.837 1.00 0.00 C ATOM 449 O GLY A 44 1.903 12.357 -3.304 1.00 0.00 O ATOM 0 H GLY A 44 1.783 16.633 -3.663 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.124 14.951 -4.305 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.149 14.427 -2.632 1.00 0.00 H new ATOM 453 N LYS A 45 0.732 13.620 -4.753 1.00 0.00 N ATOM 454 CA LYS A 45 -0.121 12.524 -5.196 1.00 0.00 C ATOM 455 C LYS A 45 0.645 11.528 -6.072 1.00 0.00 C ATOM 456 O LYS A 45 0.491 10.319 -5.918 1.00 0.00 O ATOM 457 CB LYS A 45 -1.330 13.067 -5.959 1.00 0.00 C ATOM 458 CG LYS A 45 -2.382 13.696 -5.060 1.00 0.00 C ATOM 459 CD LYS A 45 -3.301 12.647 -4.462 1.00 0.00 C ATOM 460 CE LYS A 45 -3.740 13.028 -3.058 1.00 0.00 C ATOM 461 NZ LYS A 45 -2.577 13.299 -2.168 1.00 0.00 N ATOM 0 H LYS A 45 0.536 14.514 -5.203 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.463 11.994 -4.307 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.990 13.809 -6.682 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.786 12.256 -6.526 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.893 14.252 -4.260 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.970 14.413 -5.633 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.178 12.524 -5.098 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.789 11.685 -4.436 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.376 13.912 -3.104 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.342 12.224 -2.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.826 13.057 -1.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.766 12.723 -2.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.325 14.307 -2.223 1.00 0.00 H new ATOM 475 N PRO A 46 1.477 12.018 -7.011 1.00 0.00 N ATOM 476 CA PRO A 46 2.249 11.146 -7.905 1.00 0.00 C ATOM 477 C PRO A 46 3.074 10.108 -7.150 1.00 0.00 C ATOM 478 O PRO A 46 3.049 8.922 -7.478 1.00 0.00 O ATOM 479 CB PRO A 46 3.170 12.119 -8.646 1.00 0.00 C ATOM 480 CG PRO A 46 2.462 13.428 -8.594 1.00 0.00 C ATOM 481 CD PRO A 46 1.725 13.446 -7.284 1.00 0.00 C ATOM 0 HA PRO A 46 1.598 10.566 -8.559 1.00 0.00 H new ATOM 0 HB2 PRO A 46 4.148 12.179 -8.169 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.337 11.800 -9.675 1.00 0.00 H new ATOM 0 HG2 PRO A 46 3.168 14.256 -8.657 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.772 13.533 -9.432 1.00 0.00 H new ATOM 0 HD2 PRO A 46 2.319 13.909 -6.495 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.794 14.009 -7.354 1.00 0.00 H new ATOM 489 N GLU A 47 3.813 10.562 -6.144 1.00 0.00 N ATOM 490 CA GLU A 47 4.655 9.672 -5.351 1.00 0.00 C ATOM 491 C GLU A 47 3.820 8.668 -4.560 1.00 0.00 C ATOM 492 O GLU A 47 4.201 7.506 -4.421 1.00 0.00 O ATOM 493 CB GLU A 47 5.536 10.483 -4.400 1.00 0.00 C ATOM 494 CG GLU A 47 4.750 11.350 -3.431 1.00 0.00 C ATOM 495 CD GLU A 47 5.618 12.378 -2.733 1.00 0.00 C ATOM 496 OE1 GLU A 47 6.435 11.981 -1.875 1.00 0.00 O ATOM 497 OE2 GLU A 47 5.481 13.581 -3.042 1.00 0.00 O ATOM 0 H GLU A 47 3.847 11.540 -5.858 1.00 0.00 H new ATOM 0 HA GLU A 47 5.288 9.114 -6.041 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.168 9.800 -3.832 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.200 11.118 -4.986 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.952 11.860 -3.971 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.274 10.714 -2.684 1.00 0.00 H new ATOM 504 N VAL A 48 2.687 9.122 -4.036 1.00 0.00 N ATOM 505 CA VAL A 48 1.814 8.255 -3.249 1.00 0.00 C ATOM 506 C VAL A 48 1.090 7.243 -4.126 1.00 0.00 C ATOM 507 O VAL A 48 1.199 6.041 -3.912 1.00 0.00 O ATOM 508 CB VAL A 48 0.771 9.073 -2.463 1.00 0.00 C ATOM 509 CG1 VAL A 48 -0.019 8.171 -1.528 1.00 0.00 C ATOM 510 CG2 VAL A 48 1.443 10.196 -1.688 1.00 0.00 C ATOM 0 H VAL A 48 2.352 10.080 -4.140 1.00 0.00 H new ATOM 0 HA VAL A 48 2.457 7.722 -2.548 1.00 0.00 H new ATOM 0 HB VAL A 48 0.077 9.520 -3.175 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.751 8.766 -0.981 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.534 7.406 -2.109 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.661 7.694 -0.822 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.689 10.762 -1.140 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.162 9.774 -0.986 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.960 10.858 -2.382 1.00 0.00 H new ATOM 520 N ASN A 49 0.352 7.723 -5.114 1.00 0.00 N ATOM 521 CA ASN A 49 -0.379 6.829 -6.001 1.00 0.00 C ATOM 522 C ASN A 49 0.567 5.864 -6.708 1.00 0.00 C ATOM 523 O ASN A 49 0.168 4.769 -7.095 1.00 0.00 O ATOM 524 CB ASN A 49 -1.188 7.624 -7.028 1.00 0.00 C ATOM 525 CG ASN A 49 -0.328 8.567 -7.846 1.00 0.00 C ATOM 526 OD1 ASN A 49 0.793 8.231 -8.228 1.00 0.00 O ATOM 527 ND2 ASN A 49 -0.853 9.756 -8.120 1.00 0.00 N ATOM 0 H ASN A 49 0.243 8.716 -5.322 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.069 6.247 -5.390 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.699 6.932 -7.697 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.959 8.197 -6.513 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -0.323 10.434 -8.668 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -1.786 9.991 -7.783 1.00 0.00 H new ATOM 534 N ARG A 50 1.823 6.276 -6.869 1.00 0.00 N ATOM 535 CA ARG A 50 2.825 5.444 -7.530 1.00 0.00 C ATOM 536 C ARG A 50 3.270 4.290 -6.638 1.00 0.00 C ATOM 537 O ARG A 50 3.348 3.140 -7.079 1.00 0.00 O ATOM 538 CB ARG A 50 4.039 6.289 -7.923 1.00 0.00 C ATOM 539 CG ARG A 50 5.167 5.484 -8.546 1.00 0.00 C ATOM 540 CD ARG A 50 6.198 6.385 -9.204 1.00 0.00 C ATOM 541 NE ARG A 50 5.646 7.109 -10.347 1.00 0.00 N ATOM 542 CZ ARG A 50 5.425 6.556 -11.538 1.00 0.00 C ATOM 543 NH1 ARG A 50 5.709 5.277 -11.746 1.00 0.00 N ATOM 544 NH2 ARG A 50 4.919 7.284 -12.523 1.00 0.00 N ATOM 0 H ARG A 50 2.170 7.181 -6.551 1.00 0.00 H new ATOM 0 HA ARG A 50 2.367 5.025 -8.426 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.722 7.059 -8.627 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.416 6.801 -7.038 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.649 4.878 -7.779 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.758 4.796 -9.286 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.575 7.098 -8.471 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.047 5.785 -9.531 1.00 0.00 H new ATOM 0 HE ARG A 50 5.417 8.095 -10.225 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.099 4.712 -10.992 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.538 4.859 -12.660 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.699 8.268 -12.369 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.750 6.860 -13.435 1.00 0.00 H new ATOM 558 N GLN A 51 3.556 4.597 -5.379 1.00 0.00 N ATOM 559 CA GLN A 51 3.989 3.582 -4.430 1.00 0.00 C ATOM 560 C GLN A 51 2.798 2.748 -4.016 1.00 0.00 C ATOM 561 O GLN A 51 2.840 1.519 -4.023 1.00 0.00 O ATOM 562 CB GLN A 51 4.636 4.228 -3.204 1.00 0.00 C ATOM 563 CG GLN A 51 6.058 4.704 -3.449 1.00 0.00 C ATOM 564 CD GLN A 51 6.743 5.168 -2.178 1.00 0.00 C ATOM 565 OE1 GLN A 51 7.815 4.676 -1.822 1.00 0.00 O ATOM 566 NE2 GLN A 51 6.128 6.119 -1.487 1.00 0.00 N ATOM 0 H GLN A 51 3.496 5.539 -4.993 1.00 0.00 H new ATOM 0 HA GLN A 51 4.733 2.944 -4.906 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.028 5.075 -2.886 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.638 3.510 -2.383 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.637 3.895 -3.895 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.045 5.521 -4.170 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.241 6.498 -1.819 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.542 6.471 -0.624 1.00 0.00 H new ATOM 575 N ILE A 52 1.727 3.440 -3.680 1.00 0.00 N ATOM 576 CA ILE A 52 0.494 2.801 -3.285 1.00 0.00 C ATOM 577 C ILE A 52 -0.003 1.877 -4.397 1.00 0.00 C ATOM 578 O ILE A 52 -0.640 0.858 -4.131 1.00 0.00 O ATOM 579 CB ILE A 52 -0.570 3.864 -2.954 1.00 0.00 C ATOM 580 CG1 ILE A 52 -0.098 4.729 -1.777 1.00 0.00 C ATOM 581 CG2 ILE A 52 -1.899 3.206 -2.642 1.00 0.00 C ATOM 582 CD1 ILE A 52 -1.217 5.413 -1.018 1.00 0.00 C ATOM 0 H ILE A 52 1.690 4.459 -3.674 1.00 0.00 H new ATOM 0 HA ILE A 52 0.678 2.202 -2.393 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.709 4.507 -3.823 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.466 4.104 -1.085 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.588 5.488 -2.152 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.639 3.972 -2.410 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.231 2.630 -3.506 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.784 2.542 -1.785 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.797 6.003 -0.204 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.768 6.067 -1.694 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.893 4.661 -0.610 1.00 0.00 H new ATOM 594 N LYS A 53 0.296 2.239 -5.646 1.00 0.00 N ATOM 595 CA LYS A 53 -0.121 1.435 -6.794 1.00 0.00 C ATOM 596 C LYS A 53 0.648 0.119 -6.867 1.00 0.00 C ATOM 597 O LYS A 53 0.047 -0.952 -6.920 1.00 0.00 O ATOM 598 CB LYS A 53 0.079 2.204 -8.097 1.00 0.00 C ATOM 599 CG LYS A 53 -1.221 2.707 -8.693 1.00 0.00 C ATOM 600 CD LYS A 53 -1.017 3.228 -10.101 1.00 0.00 C ATOM 601 CE LYS A 53 -1.219 2.133 -11.135 1.00 0.00 C ATOM 602 NZ LYS A 53 -0.343 2.323 -12.323 1.00 0.00 N ATOM 0 H LYS A 53 0.822 3.079 -5.887 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.180 1.215 -6.660 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.741 3.051 -7.915 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.578 1.559 -8.820 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.954 1.901 -8.704 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.628 3.500 -8.065 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.714 4.044 -10.293 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.012 3.639 -10.196 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.011 1.163 -10.682 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.262 2.120 -11.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.511 1.556 -13.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.558 3.237 -12.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.653 2.310 -12.025 1.00 0.00 H new ATOM 616 N ASN A 54 1.978 0.202 -6.884 1.00 0.00 N ATOM 617 CA ASN A 54 2.802 -0.999 -6.969 1.00 0.00 C ATOM 618 C ASN A 54 2.542 -1.930 -5.790 1.00 0.00 C ATOM 619 O ASN A 54 2.734 -3.141 -5.894 1.00 0.00 O ATOM 620 CB ASN A 54 4.290 -0.645 -7.062 1.00 0.00 C ATOM 621 CG ASN A 54 4.789 0.152 -5.876 1.00 0.00 C ATOM 622 OD1 ASN A 54 4.467 -0.149 -4.728 1.00 0.00 O ATOM 623 ND2 ASN A 54 5.592 1.174 -6.153 1.00 0.00 N ATOM 0 H ASN A 54 2.501 1.077 -6.841 1.00 0.00 H new ATOM 0 HA ASN A 54 2.523 -1.524 -7.882 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.871 -1.564 -7.144 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.465 -0.075 -7.974 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.969 1.746 -5.397 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.832 1.386 -7.121 1.00 0.00 H new ATOM 630 N LEU A 55 2.093 -1.366 -4.675 1.00 0.00 N ATOM 631 CA LEU A 55 1.796 -2.166 -3.496 1.00 0.00 C ATOM 632 C LEU A 55 0.464 -2.878 -3.666 1.00 0.00 C ATOM 633 O LEU A 55 0.356 -4.077 -3.417 1.00 0.00 O ATOM 634 CB LEU A 55 1.778 -1.294 -2.237 1.00 0.00 C ATOM 635 CG LEU A 55 3.146 -0.780 -1.786 1.00 0.00 C ATOM 636 CD1 LEU A 55 2.987 0.395 -0.836 1.00 0.00 C ATOM 637 CD2 LEU A 55 3.945 -1.895 -1.128 1.00 0.00 C ATOM 0 H LEU A 55 1.928 -0.366 -4.564 1.00 0.00 H new ATOM 0 HA LEU A 55 2.581 -2.913 -3.381 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.126 -0.439 -2.415 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.336 -1.868 -1.422 1.00 0.00 H new ATOM 0 HG LEU A 55 3.692 -0.439 -2.665 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.971 0.748 -0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.455 1.202 -1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.421 0.080 0.041 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.915 -1.511 -0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.403 -2.267 -0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.090 -2.708 -1.840 1.00 0.00 H new ATOM 649 N GLU A 56 -0.545 -2.140 -4.118 1.00 0.00 N ATOM 650 CA GLU A 56 -1.859 -2.721 -4.348 1.00 0.00 C ATOM 651 C GLU A 56 -1.723 -3.886 -5.319 1.00 0.00 C ATOM 652 O GLU A 56 -2.377 -4.918 -5.177 1.00 0.00 O ATOM 653 CB GLU A 56 -2.824 -1.671 -4.906 1.00 0.00 C ATOM 654 CG GLU A 56 -4.131 -1.577 -4.138 1.00 0.00 C ATOM 655 CD GLU A 56 -5.252 -2.357 -4.798 1.00 0.00 C ATOM 656 OE1 GLU A 56 -5.246 -2.468 -6.041 1.00 0.00 O ATOM 657 OE2 GLU A 56 -6.137 -2.857 -4.070 1.00 0.00 O ATOM 0 H GLU A 56 -0.477 -1.145 -4.331 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.265 -3.080 -3.402 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.335 -0.697 -4.894 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.041 -1.906 -5.948 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.981 -1.950 -3.125 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.423 -0.530 -4.052 1.00 0.00 H new ATOM 664 N ILE A 57 -0.838 -3.706 -6.294 1.00 0.00 N ATOM 665 CA ILE A 57 -0.565 -4.730 -7.287 1.00 0.00 C ATOM 666 C ILE A 57 0.204 -5.881 -6.654 1.00 0.00 C ATOM 667 O ILE A 57 -0.055 -7.049 -6.942 1.00 0.00 O ATOM 668 CB ILE A 57 0.256 -4.160 -8.456 1.00 0.00 C ATOM 669 CG1 ILE A 57 -0.406 -2.896 -8.998 1.00 0.00 C ATOM 670 CG2 ILE A 57 0.413 -5.196 -9.557 1.00 0.00 C ATOM 671 CD1 ILE A 57 0.576 -1.900 -9.570 1.00 0.00 C ATOM 0 H ILE A 57 -0.295 -2.851 -6.415 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.521 -5.089 -7.668 1.00 0.00 H new ATOM 0 HB ILE A 57 1.249 -3.902 -8.089 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.122 -3.173 -9.771 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.971 -2.419 -8.197 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.997 -4.773 -10.374 1.00 0.00 H new ATOM 0 HG22 ILE A 57 0.926 -6.073 -9.161 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.571 -5.487 -9.926 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.037 -1.027 -9.937 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.277 -1.594 -8.794 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.123 -2.360 -10.393 1.00 0.00 H new ATOM 683 N SER A 58 1.147 -5.539 -5.779 1.00 0.00 N ATOM 684 CA SER A 58 1.950 -6.547 -5.093 1.00 0.00 C ATOM 685 C SER A 58 1.054 -7.507 -4.318 1.00 0.00 C ATOM 686 O SER A 58 1.108 -8.722 -4.514 1.00 0.00 O ATOM 687 CB SER A 58 2.948 -5.880 -4.143 1.00 0.00 C ATOM 688 OG SER A 58 3.551 -6.833 -3.286 1.00 0.00 O ATOM 0 H SER A 58 1.373 -4.576 -5.529 1.00 0.00 H new ATOM 0 HA SER A 58 2.503 -7.112 -5.843 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.717 -5.367 -4.720 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.438 -5.122 -3.548 1.00 0.00 H new ATOM 0 HG SER A 58 4.386 -6.467 -2.926 1.00 0.00 H new ATOM 694 N ILE A 59 0.217 -6.951 -3.447 1.00 0.00 N ATOM 695 CA ILE A 59 -0.702 -7.754 -2.651 1.00 0.00 C ATOM 696 C ILE A 59 -1.626 -8.562 -3.558 1.00 0.00 C ATOM 697 O ILE A 59 -1.804 -9.768 -3.369 1.00 0.00 O ATOM 698 CB ILE A 59 -1.550 -6.868 -1.714 1.00 0.00 C ATOM 699 CG1 ILE A 59 -0.642 -6.017 -0.822 1.00 0.00 C ATOM 700 CG2 ILE A 59 -2.484 -7.721 -0.866 1.00 0.00 C ATOM 701 CD1 ILE A 59 -0.844 -4.530 -1.000 1.00 0.00 C ATOM 0 H ILE A 59 0.157 -5.947 -3.275 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.105 -8.433 -2.043 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.159 -6.203 -2.326 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.823 -6.278 0.221 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.398 -6.263 -1.036 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.072 -7.077 -0.213 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.152 -8.286 -1.516 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.897 -8.412 -0.261 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.168 -3.989 -0.337 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.635 -4.256 -2.034 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.875 -4.271 -0.757 1.00 0.00 H new ATOM 713 N ASP A 60 -2.201 -7.889 -4.549 1.00 0.00 N ATOM 714 CA ASP A 60 -3.097 -8.543 -5.493 1.00 0.00 C ATOM 715 C ASP A 60 -2.365 -9.656 -6.235 1.00 0.00 C ATOM 716 O ASP A 60 -2.953 -10.687 -6.563 1.00 0.00 O ATOM 717 CB ASP A 60 -3.657 -7.527 -6.489 1.00 0.00 C ATOM 718 CG ASP A 60 -5.012 -7.935 -7.033 1.00 0.00 C ATOM 719 OD1 ASP A 60 -5.051 -8.686 -8.029 1.00 0.00 O ATOM 720 OD2 ASP A 60 -6.035 -7.501 -6.463 1.00 0.00 O ATOM 0 H ASP A 60 -2.062 -6.893 -4.718 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.926 -8.979 -4.936 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.742 -6.555 -6.003 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.957 -7.410 -7.316 1.00 0.00 H new ATOM 725 N ALA A 61 -1.075 -9.443 -6.487 1.00 0.00 N ATOM 726 CA ALA A 61 -0.264 -10.436 -7.178 1.00 0.00 C ATOM 727 C ALA A 61 -0.249 -11.743 -6.397 1.00 0.00 C ATOM 728 O ALA A 61 -0.501 -12.814 -6.952 1.00 0.00 O ATOM 729 CB ALA A 61 1.153 -9.915 -7.380 1.00 0.00 C ATOM 0 H ALA A 61 -0.573 -8.595 -6.223 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.703 -10.626 -8.157 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.747 -10.668 -7.898 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.124 -9.003 -7.976 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.603 -9.701 -6.411 1.00 0.00 H new ATOM 735 N LEU A 62 0.032 -11.647 -5.101 1.00 0.00 N ATOM 736 CA LEU A 62 0.062 -12.821 -4.244 1.00 0.00 C ATOM 737 C LEU A 62 -1.257 -13.572 -4.325 1.00 0.00 C ATOM 738 O LEU A 62 -1.275 -14.770 -4.598 1.00 0.00 O ATOM 739 CB LEU A 62 0.341 -12.416 -2.798 1.00 0.00 C ATOM 740 CG LEU A 62 1.791 -12.029 -2.517 1.00 0.00 C ATOM 741 CD1 LEU A 62 1.925 -10.523 -2.344 1.00 0.00 C ATOM 742 CD2 LEU A 62 2.319 -12.759 -1.292 1.00 0.00 C ATOM 0 H LEU A 62 0.241 -10.770 -4.625 1.00 0.00 H new ATOM 0 HA LEU A 62 0.862 -13.477 -4.588 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.303 -11.575 -2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.065 -13.242 -2.143 1.00 0.00 H new ATOM 0 HG LEU A 62 2.392 -12.328 -3.376 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.967 -10.271 -2.145 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.598 -10.022 -3.255 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.306 -10.196 -1.508 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.354 -12.467 -1.112 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.713 -12.499 -0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.270 -13.835 -1.460 1.00 0.00 H new ATOM 754 N MET A 63 -2.360 -12.856 -4.101 1.00 0.00 N ATOM 755 CA MET A 63 -3.694 -13.454 -4.153 1.00 0.00 C ATOM 756 C MET A 63 -3.847 -14.349 -5.377 1.00 0.00 C ATOM 757 O MET A 63 -4.199 -15.522 -5.259 1.00 0.00 O ATOM 758 CB MET A 63 -4.764 -12.361 -4.173 1.00 0.00 C ATOM 759 CG MET A 63 -6.081 -12.788 -3.542 1.00 0.00 C ATOM 760 SD MET A 63 -6.581 -11.718 -2.178 1.00 0.00 S ATOM 761 CE MET A 63 -5.073 -11.675 -1.214 1.00 0.00 C ATOM 0 H MET A 63 -2.355 -11.860 -3.882 1.00 0.00 H new ATOM 0 HA MET A 63 -3.822 -14.067 -3.261 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.386 -11.484 -3.647 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.945 -12.060 -5.205 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.861 -12.787 -4.304 1.00 0.00 H new ATOM 0 HG3 MET A 63 -5.990 -13.812 -3.180 1.00 0.00 H new ATOM 0 HE1 MET A 63 -5.320 -11.598 -0.155 1.00 0.00 H new ATOM 0 HE2 MET A 63 -4.504 -12.588 -1.388 1.00 0.00 H new ATOM 0 HE3 MET A 63 -4.476 -10.813 -1.511 1.00 0.00 H new ATOM 771 N ALA A 64 -3.568 -13.794 -6.550 1.00 0.00 N ATOM 772 CA ALA A 64 -3.664 -14.554 -7.788 1.00 0.00 C ATOM 773 C ALA A 64 -2.678 -15.718 -7.781 1.00 0.00 C ATOM 774 O ALA A 64 -2.884 -16.724 -8.458 1.00 0.00 O ATOM 775 CB ALA A 64 -3.413 -13.651 -8.986 1.00 0.00 C ATOM 0 H ALA A 64 -3.275 -12.824 -6.669 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.673 -14.960 -7.865 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.488 -14.235 -9.904 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.155 -12.853 -9.002 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.415 -13.218 -8.912 1.00 0.00 H new ATOM 781 N LYS A 65 -1.611 -15.576 -6.999 1.00 0.00 N ATOM 782 CA LYS A 65 -0.593 -16.612 -6.887 1.00 0.00 C ATOM 783 C LYS A 65 -1.036 -17.685 -5.901 1.00 0.00 C ATOM 784 O LYS A 65 -0.649 -18.847 -6.009 1.00 0.00 O ATOM 785 CB LYS A 65 0.741 -16.008 -6.443 1.00 0.00 C ATOM 786 CG LYS A 65 1.639 -15.604 -7.600 1.00 0.00 C ATOM 787 CD LYS A 65 2.344 -14.285 -7.327 1.00 0.00 C ATOM 788 CE LYS A 65 3.646 -14.495 -6.569 1.00 0.00 C ATOM 789 NZ LYS A 65 3.873 -13.434 -5.550 1.00 0.00 N ATOM 0 H LYS A 65 -1.430 -14.748 -6.431 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.459 -17.069 -7.867 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.546 -15.133 -5.822 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.268 -16.730 -5.820 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.380 -16.384 -7.776 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.045 -15.518 -8.510 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.549 -13.779 -8.270 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.688 -13.633 -6.751 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.629 -15.469 -6.081 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.478 -14.506 -7.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.390 -13.834 -4.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.430 -12.663 -5.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.957 -13.063 -5.226 1.00 0.00 H new ATOM 803 N ILE A 66 -1.842 -17.278 -4.930 1.00 0.00 N ATOM 804 CA ILE A 66 -2.331 -18.199 -3.913 1.00 0.00 C ATOM 805 C ILE A 66 -3.364 -19.155 -4.493 1.00 0.00 C ATOM 806 O ILE A 66 -3.412 -20.331 -4.129 1.00 0.00 O ATOM 807 CB ILE A 66 -2.958 -17.468 -2.710 1.00 0.00 C ATOM 808 CG1 ILE A 66 -2.328 -16.091 -2.509 1.00 0.00 C ATOM 809 CG2 ILE A 66 -2.803 -18.306 -1.459 1.00 0.00 C ATOM 810 CD1 ILE A 66 -0.826 -16.118 -2.314 1.00 0.00 C ATOM 0 H ILE A 66 -2.171 -16.318 -4.825 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.460 -18.755 -3.566 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.019 -17.322 -2.914 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.560 -15.468 -3.373 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.787 -15.617 -1.642 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.249 -17.783 -0.613 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.304 -19.264 -1.598 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.744 -18.476 -1.264 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.458 -15.101 -2.178 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.584 -16.712 -1.433 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.353 -16.561 -3.191 1.00 0.00 H new ATOM 822 N LYS A 67 -4.198 -18.641 -5.391 1.00 0.00 N ATOM 823 CA LYS A 67 -5.242 -19.446 -6.015 1.00 0.00 C ATOM 824 C LYS A 67 -4.776 -20.038 -7.343 1.00 0.00 C ATOM 825 O LYS A 67 -5.254 -21.091 -7.761 1.00 0.00 O ATOM 826 CB LYS A 67 -6.497 -18.600 -6.237 1.00 0.00 C ATOM 827 CG LYS A 67 -7.503 -18.694 -5.099 1.00 0.00 C ATOM 828 CD LYS A 67 -7.505 -17.435 -4.247 1.00 0.00 C ATOM 829 CE LYS A 67 -8.916 -17.035 -3.848 1.00 0.00 C ATOM 830 NZ LYS A 67 -9.092 -15.556 -3.838 1.00 0.00 N ATOM 0 H LYS A 67 -4.171 -17.670 -5.703 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.473 -20.270 -5.340 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.205 -17.558 -6.367 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.978 -18.914 -7.163 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.500 -18.859 -5.507 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.267 -19.556 -4.475 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.905 -17.599 -3.352 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.037 -16.620 -4.799 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.629 -17.481 -4.541 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.141 -17.434 -2.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.067 -15.324 -3.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.429 -15.132 -3.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.903 -15.177 -4.788 1.00 0.00 H new ATOM 844 N SER A 68 -3.847 -19.356 -8.008 1.00 0.00 N ATOM 845 CA SER A 68 -3.338 -19.828 -9.291 1.00 0.00 C ATOM 846 C SER A 68 -1.949 -20.441 -9.152 1.00 0.00 C ATOM 847 O SER A 68 -1.184 -20.489 -10.115 1.00 0.00 O ATOM 848 CB SER A 68 -3.305 -18.683 -10.306 1.00 0.00 C ATOM 849 OG SER A 68 -3.423 -19.172 -11.632 1.00 0.00 O ATOM 0 H SER A 68 -3.435 -18.482 -7.682 1.00 0.00 H new ATOM 0 HA SER A 68 -4.015 -20.604 -9.648 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.117 -17.986 -10.099 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.373 -18.127 -10.202 1.00 0.00 H new ATOM 0 HG SER A 68 -2.737 -19.853 -11.792 1.00 0.00 H new ATOM 855 N THR A 69 -1.635 -20.915 -7.953 1.00 0.00 N ATOM 856 CA THR A 69 -0.345 -21.538 -7.678 1.00 0.00 C ATOM 857 C THR A 69 -0.220 -21.897 -6.200 1.00 0.00 C ATOM 858 O THR A 69 -0.797 -21.236 -5.338 1.00 0.00 O ATOM 859 CB THR A 69 0.794 -20.609 -8.091 1.00 0.00 C ATOM 860 OG1 THR A 69 0.363 -19.261 -8.127 1.00 0.00 O ATOM 861 CG2 THR A 69 1.356 -20.942 -9.450 1.00 0.00 C ATOM 0 H THR A 69 -2.261 -20.879 -7.149 1.00 0.00 H new ATOM 0 HA THR A 69 -0.280 -22.456 -8.262 1.00 0.00 H new ATOM 0 HB THR A 69 1.571 -20.750 -7.339 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.476 -18.858 -7.241 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.162 -20.249 -9.690 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.743 -21.961 -9.444 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.569 -20.857 -10.200 1.00 0.00 H new ATOM 869 N MET A 70 0.539 -22.951 -5.917 1.00 0.00 N ATOM 870 CA MET A 70 0.741 -23.401 -4.544 1.00 0.00 C ATOM 871 C MET A 70 1.860 -22.613 -3.872 1.00 0.00 C ATOM 872 O MET A 70 2.955 -23.135 -3.652 1.00 0.00 O ATOM 873 CB MET A 70 1.061 -24.898 -4.519 1.00 0.00 C ATOM 874 CG MET A 70 -0.139 -25.771 -4.193 1.00 0.00 C ATOM 875 SD MET A 70 0.331 -27.374 -3.516 1.00 0.00 S ATOM 876 CE MET A 70 -1.277 -28.114 -3.244 1.00 0.00 C ATOM 0 H MET A 70 1.024 -23.509 -6.620 1.00 0.00 H new ATOM 0 HA MET A 70 -0.181 -23.226 -3.989 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.461 -25.192 -5.490 1.00 0.00 H new ATOM 0 HB3 MET A 70 1.844 -25.081 -3.783 1.00 0.00 H new ATOM 0 HG2 MET A 70 -0.777 -25.252 -3.478 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.730 -25.922 -5.097 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.152 -29.113 -2.826 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.848 -27.498 -2.549 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.811 -28.182 -4.192 1.00 0.00 H new ATOM 886 N MET A 71 1.578 -21.357 -3.544 1.00 0.00 N ATOM 887 CA MET A 71 2.562 -20.499 -2.895 1.00 0.00 C ATOM 888 C MET A 71 2.732 -20.887 -1.428 1.00 0.00 C ATOM 889 O MET A 71 1.757 -21.177 -0.736 1.00 0.00 O ATOM 890 CB MET A 71 2.141 -19.032 -3.004 1.00 0.00 C ATOM 891 CG MET A 71 2.886 -18.266 -4.084 1.00 0.00 C ATOM 892 SD MET A 71 4.577 -17.861 -3.608 1.00 0.00 S ATOM 893 CE MET A 71 4.306 -16.416 -2.585 1.00 0.00 C ATOM 0 H MET A 71 0.677 -20.911 -3.717 1.00 0.00 H new ATOM 0 HA MET A 71 3.518 -20.631 -3.402 1.00 0.00 H new ATOM 0 HB2 MET A 71 1.071 -18.983 -3.208 1.00 0.00 H new ATOM 0 HB3 MET A 71 2.305 -18.543 -2.044 1.00 0.00 H new ATOM 0 HG2 MET A 71 2.902 -18.859 -4.999 1.00 0.00 H new ATOM 0 HG3 MET A 71 2.346 -17.346 -4.310 1.00 0.00 H new ATOM 0 HE1 MET A 71 5.186 -15.774 -2.622 1.00 0.00 H new ATOM 0 HE2 MET A 71 3.440 -15.867 -2.954 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.127 -16.727 -1.556 1.00 0.00 H new ATOM 903 N THR A 72 3.976 -20.888 -0.963 1.00 0.00 N ATOM 904 CA THR A 72 4.274 -21.239 0.419 1.00 0.00 C ATOM 905 C THR A 72 3.961 -20.076 1.354 1.00 0.00 C ATOM 906 O THR A 72 4.238 -18.921 1.034 1.00 0.00 O ATOM 907 CB THR A 72 5.743 -21.640 0.559 1.00 0.00 C ATOM 908 OG1 THR A 72 6.131 -22.499 -0.498 1.00 0.00 O ATOM 909 CG2 THR A 72 6.050 -22.347 1.862 1.00 0.00 C ATOM 0 H THR A 72 4.794 -20.650 -1.523 1.00 0.00 H new ATOM 0 HA THR A 72 3.646 -22.085 0.697 1.00 0.00 H new ATOM 0 HB THR A 72 6.301 -20.704 0.533 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.074 -22.743 -0.392 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.109 -22.603 1.896 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.808 -21.690 2.698 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.454 -23.257 1.931 1.00 0.00 H new ATOM 917 N ARG A 73 3.385 -20.389 2.511 1.00 0.00 N ATOM 918 CA ARG A 73 3.038 -19.363 3.491 1.00 0.00 C ATOM 919 C ARG A 73 4.262 -18.531 3.855 1.00 0.00 C ATOM 920 O ARG A 73 4.158 -17.327 4.090 1.00 0.00 O ATOM 921 CB ARG A 73 2.449 -20.007 4.748 1.00 0.00 C ATOM 922 CG ARG A 73 3.350 -21.058 5.374 1.00 0.00 C ATOM 923 CD ARG A 73 2.597 -21.905 6.386 1.00 0.00 C ATOM 924 NE ARG A 73 3.188 -23.233 6.535 1.00 0.00 N ATOM 925 CZ ARG A 73 2.546 -24.274 7.064 1.00 0.00 C ATOM 926 NH1 ARG A 73 1.299 -24.145 7.496 1.00 0.00 N ATOM 927 NH2 ARG A 73 3.157 -25.448 7.159 1.00 0.00 N ATOM 0 H ARG A 73 3.149 -21.341 2.793 1.00 0.00 H new ATOM 0 HA ARG A 73 2.291 -18.705 3.047 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.247 -19.229 5.484 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.492 -20.464 4.497 1.00 0.00 H new ATOM 0 HG2 ARG A 73 3.759 -21.700 4.594 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.194 -20.571 5.862 1.00 0.00 H new ATOM 0 HD2 ARG A 73 2.594 -21.399 7.351 1.00 0.00 H new ATOM 0 HD3 ARG A 73 1.557 -22.004 6.074 1.00 0.00 H new ATOM 0 HE ARG A 73 4.147 -23.371 6.216 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.825 -23.245 7.424 1.00 0.00 H new ATOM 0 HH12 ARG A 73 0.814 -24.946 7.900 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.116 -25.552 6.828 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.668 -26.246 7.564 1.00 0.00 H new ATOM 941 N GLU A 74 5.422 -19.179 3.890 1.00 0.00 N ATOM 942 CA GLU A 74 6.668 -18.495 4.215 1.00 0.00 C ATOM 943 C GLU A 74 6.918 -17.355 3.235 1.00 0.00 C ATOM 944 O GLU A 74 7.283 -16.247 3.630 1.00 0.00 O ATOM 945 CB GLU A 74 7.840 -19.479 4.183 1.00 0.00 C ATOM 946 CG GLU A 74 8.076 -20.186 5.508 1.00 0.00 C ATOM 947 CD GLU A 74 9.301 -21.078 5.481 1.00 0.00 C ATOM 948 OE1 GLU A 74 9.521 -21.754 4.453 1.00 0.00 O ATOM 949 OE2 GLU A 74 10.041 -21.103 6.487 1.00 0.00 O ATOM 0 H GLU A 74 5.525 -20.175 3.698 1.00 0.00 H new ATOM 0 HA GLU A 74 6.583 -18.082 5.220 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.656 -20.225 3.410 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.746 -18.943 3.900 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.189 -19.443 6.297 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.200 -20.785 5.757 1.00 0.00 H new ATOM 956 N GLN A 75 6.706 -17.634 1.952 1.00 0.00 N ATOM 957 CA GLN A 75 6.896 -16.635 0.911 1.00 0.00 C ATOM 958 C GLN A 75 5.945 -15.462 1.124 1.00 0.00 C ATOM 959 O GLN A 75 6.277 -14.316 0.818 1.00 0.00 O ATOM 960 CB GLN A 75 6.664 -17.254 -0.470 1.00 0.00 C ATOM 961 CG GLN A 75 7.704 -18.297 -0.849 1.00 0.00 C ATOM 962 CD GLN A 75 8.943 -17.684 -1.471 1.00 0.00 C ATOM 963 OE1 GLN A 75 9.219 -16.497 -1.293 1.00 0.00 O ATOM 964 NE2 GLN A 75 9.700 -18.493 -2.203 1.00 0.00 N ATOM 0 H GLN A 75 6.402 -18.546 1.610 1.00 0.00 H new ATOM 0 HA GLN A 75 7.922 -16.271 0.964 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.676 -17.713 -0.492 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.665 -16.462 -1.219 1.00 0.00 H new ATOM 0 HG2 GLN A 75 7.989 -18.861 0.039 1.00 0.00 H new ATOM 0 HG3 GLN A 75 7.263 -19.007 -1.549 1.00 0.00 H new ATOM 0 HE21 GLN A 75 9.433 -19.470 -2.324 1.00 0.00 H new ATOM 0 HE22 GLN A 75 10.548 -18.137 -2.644 1.00 0.00 H new ATOM 973 N ILE A 76 4.765 -15.759 1.657 1.00 0.00 N ATOM 974 CA ILE A 76 3.765 -14.733 1.923 1.00 0.00 C ATOM 975 C ILE A 76 4.170 -13.882 3.122 1.00 0.00 C ATOM 976 O ILE A 76 3.939 -12.673 3.145 1.00 0.00 O ATOM 977 CB ILE A 76 2.379 -15.351 2.193 1.00 0.00 C ATOM 978 CG1 ILE A 76 2.023 -16.362 1.100 1.00 0.00 C ATOM 979 CG2 ILE A 76 1.320 -14.263 2.283 1.00 0.00 C ATOM 980 CD1 ILE A 76 1.822 -15.736 -0.262 1.00 0.00 C ATOM 0 H ILE A 76 4.478 -16.704 1.913 1.00 0.00 H new ATOM 0 HA ILE A 76 3.705 -14.107 1.032 1.00 0.00 H new ATOM 0 HB ILE A 76 2.413 -15.875 3.148 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.815 -17.108 1.034 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.113 -16.889 1.386 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.347 -14.717 2.474 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.568 -13.580 3.096 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.285 -13.711 1.344 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.573 -16.512 -0.986 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.010 -15.011 -0.213 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.739 -15.233 -0.570 1.00 0.00 H new ATOM 992 N GLN A 77 4.780 -14.524 4.113 1.00 0.00 N ATOM 993 CA GLN A 77 5.224 -13.830 5.316 1.00 0.00 C ATOM 994 C GLN A 77 6.235 -12.743 4.968 1.00 0.00 C ATOM 995 O GLN A 77 6.078 -11.585 5.356 1.00 0.00 O ATOM 996 CB GLN A 77 5.842 -14.820 6.303 1.00 0.00 C ATOM 997 CG GLN A 77 5.930 -14.288 7.726 1.00 0.00 C ATOM 998 CD GLN A 77 4.590 -14.297 8.435 1.00 0.00 C ATOM 999 OE1 GLN A 77 3.733 -15.136 8.157 1.00 0.00 O ATOM 1000 NE2 GLN A 77 4.402 -13.359 9.355 1.00 0.00 N ATOM 0 H GLN A 77 4.978 -15.525 4.106 1.00 0.00 H new ATOM 0 HA GLN A 77 4.356 -13.362 5.780 1.00 0.00 H new ATOM 0 HB2 GLN A 77 5.252 -15.737 6.303 1.00 0.00 H new ATOM 0 HB3 GLN A 77 6.842 -15.085 5.961 1.00 0.00 H new ATOM 0 HG2 GLN A 77 6.641 -14.890 8.292 1.00 0.00 H new ATOM 0 HG3 GLN A 77 6.320 -13.270 7.706 1.00 0.00 H new ATOM 0 HE21 GLN A 77 5.140 -12.684 9.553 1.00 0.00 H new ATOM 0 HE22 GLN A 77 3.519 -13.314 9.864 1.00 0.00 H new ATOM 1009 N LYS A 78 7.272 -13.121 4.227 1.00 0.00 N ATOM 1010 CA LYS A 78 8.300 -12.172 3.824 1.00 0.00 C ATOM 1011 C LYS A 78 7.708 -11.098 2.926 1.00 0.00 C ATOM 1012 O LYS A 78 7.948 -9.907 3.130 1.00 0.00 O ATOM 1013 CB LYS A 78 9.449 -12.890 3.112 1.00 0.00 C ATOM 1014 CG LYS A 78 10.817 -12.582 3.697 1.00 0.00 C ATOM 1015 CD LYS A 78 11.576 -11.578 2.844 1.00 0.00 C ATOM 1016 CE LYS A 78 12.424 -12.271 1.789 1.00 0.00 C ATOM 1017 NZ LYS A 78 12.553 -11.451 0.554 1.00 0.00 N ATOM 0 H LYS A 78 7.421 -14.074 3.895 1.00 0.00 H new ATOM 0 HA LYS A 78 8.697 -11.695 4.720 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.278 -13.965 3.158 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.443 -12.611 2.058 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.702 -12.189 4.707 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.395 -13.503 3.778 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.870 -10.904 2.359 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.215 -10.967 3.482 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.415 -12.474 2.195 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.978 -13.234 1.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.138 -11.958 -0.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.610 -11.279 0.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.002 -10.542 0.786 1.00 0.00 H new ATOM 1031 N GLU A 79 6.912 -11.515 1.946 1.00 0.00 N ATOM 1032 CA GLU A 79 6.273 -10.564 1.049 1.00 0.00 C ATOM 1033 C GLU A 79 5.455 -9.581 1.868 1.00 0.00 C ATOM 1034 O GLU A 79 5.376 -8.396 1.547 1.00 0.00 O ATOM 1035 CB GLU A 79 5.386 -11.285 0.032 1.00 0.00 C ATOM 1036 CG GLU A 79 6.153 -11.854 -1.149 1.00 0.00 C ATOM 1037 CD GLU A 79 5.361 -12.901 -1.909 1.00 0.00 C ATOM 1038 OE1 GLU A 79 5.018 -13.941 -1.304 1.00 0.00 O ATOM 1039 OE2 GLU A 79 5.083 -12.683 -3.106 1.00 0.00 O ATOM 0 H GLU A 79 6.697 -12.494 1.756 1.00 0.00 H new ATOM 0 HA GLU A 79 7.041 -10.024 0.494 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.856 -12.094 0.534 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.631 -10.590 -0.336 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.422 -11.044 -1.827 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.084 -12.295 -0.794 1.00 0.00 H new ATOM 1046 N TYR A 80 4.885 -10.079 2.962 1.00 0.00 N ATOM 1047 CA TYR A 80 4.118 -9.237 3.858 1.00 0.00 C ATOM 1048 C TYR A 80 5.056 -8.208 4.471 1.00 0.00 C ATOM 1049 O TYR A 80 4.686 -7.052 4.671 1.00 0.00 O ATOM 1050 CB TYR A 80 3.453 -10.073 4.954 1.00 0.00 C ATOM 1051 CG TYR A 80 2.398 -9.321 5.733 1.00 0.00 C ATOM 1052 CD1 TYR A 80 2.736 -8.564 6.847 1.00 0.00 C ATOM 1053 CD2 TYR A 80 1.061 -9.369 5.352 1.00 0.00 C ATOM 1054 CE1 TYR A 80 1.772 -7.877 7.561 1.00 0.00 C ATOM 1055 CE2 TYR A 80 0.093 -8.683 6.060 1.00 0.00 C ATOM 1056 CZ TYR A 80 0.454 -7.940 7.165 1.00 0.00 C ATOM 1057 OH TYR A 80 -0.506 -7.256 7.873 1.00 0.00 O ATOM 0 H TYR A 80 4.943 -11.058 3.243 1.00 0.00 H new ATOM 0 HA TYR A 80 3.327 -8.735 3.301 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.999 -10.955 4.502 1.00 0.00 H new ATOM 0 HB3 TYR A 80 4.219 -10.427 5.644 1.00 0.00 H new ATOM 0 HD1 TYR A 80 3.768 -8.511 7.161 1.00 0.00 H new ATOM 0 HD2 TYR A 80 0.775 -9.952 4.489 1.00 0.00 H new ATOM 0 HE1 TYR A 80 2.051 -7.293 8.426 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -0.941 -8.728 5.750 1.00 0.00 H new ATOM 0 HH TYR A 80 -1.383 -7.404 7.462 1.00 0.00 H new ATOM 1067 N ASP A 81 6.290 -8.639 4.739 1.00 0.00 N ATOM 1068 CA ASP A 81 7.296 -7.751 5.295 1.00 0.00 C ATOM 1069 C ASP A 81 7.709 -6.720 4.254 1.00 0.00 C ATOM 1070 O ASP A 81 7.937 -5.556 4.579 1.00 0.00 O ATOM 1071 CB ASP A 81 8.515 -8.547 5.769 1.00 0.00 C ATOM 1072 CG ASP A 81 8.615 -8.607 7.281 1.00 0.00 C ATOM 1073 OD1 ASP A 81 7.851 -9.381 7.896 1.00 0.00 O ATOM 1074 OD2 ASP A 81 9.454 -7.878 7.851 1.00 0.00 O ATOM 0 H ASP A 81 6.610 -9.594 4.579 1.00 0.00 H new ATOM 0 HA ASP A 81 6.870 -7.235 6.155 1.00 0.00 H new ATOM 0 HB2 ASP A 81 8.461 -9.560 5.371 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.421 -8.094 5.366 1.00 0.00 H new ATOM 1079 N ALA A 82 7.780 -7.147 2.992 1.00 0.00 N ATOM 1080 CA ALA A 82 8.141 -6.241 1.912 1.00 0.00 C ATOM 1081 C ALA A 82 7.140 -5.099 1.847 1.00 0.00 C ATOM 1082 O ALA A 82 7.496 -3.952 1.575 1.00 0.00 O ATOM 1083 CB ALA A 82 8.194 -6.985 0.585 1.00 0.00 C ATOM 0 H ALA A 82 7.593 -8.106 2.699 1.00 0.00 H new ATOM 0 HA ALA A 82 9.132 -5.832 2.108 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.465 -6.291 -0.211 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.938 -7.780 0.643 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.217 -7.418 0.371 1.00 0.00 H new ATOM 1089 N LEU A 83 5.881 -5.426 2.125 1.00 0.00 N ATOM 1090 CA LEU A 83 4.817 -4.438 2.125 1.00 0.00 C ATOM 1091 C LEU A 83 4.893 -3.588 3.387 1.00 0.00 C ATOM 1092 O LEU A 83 4.551 -2.407 3.374 1.00 0.00 O ATOM 1093 CB LEU A 83 3.450 -5.122 2.035 1.00 0.00 C ATOM 1094 CG LEU A 83 3.256 -6.019 0.810 1.00 0.00 C ATOM 1095 CD1 LEU A 83 2.105 -6.987 1.037 1.00 0.00 C ATOM 1096 CD2 LEU A 83 3.009 -5.177 -0.433 1.00 0.00 C ATOM 0 H LEU A 83 5.576 -6.372 2.353 1.00 0.00 H new ATOM 0 HA LEU A 83 4.942 -3.794 1.254 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.300 -5.721 2.933 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.676 -4.355 2.031 1.00 0.00 H new ATOM 0 HG LEU A 83 4.167 -6.597 0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.981 -7.617 0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.321 -7.612 1.903 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.187 -6.426 1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.873 -5.831 -1.294 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.113 -4.573 -0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.864 -4.523 -0.605 1.00 0.00 H new ATOM 1108 N VAL A 84 5.359 -4.197 4.479 1.00 0.00 N ATOM 1109 CA VAL A 84 5.491 -3.491 5.745 1.00 0.00 C ATOM 1110 C VAL A 84 6.605 -2.455 5.665 1.00 0.00 C ATOM 1111 O VAL A 84 6.518 -1.384 6.264 1.00 0.00 O ATOM 1112 CB VAL A 84 5.779 -4.462 6.908 1.00 0.00 C ATOM 1113 CG1 VAL A 84 5.856 -3.711 8.230 1.00 0.00 C ATOM 1114 CG2 VAL A 84 4.721 -5.554 6.967 1.00 0.00 C ATOM 0 H VAL A 84 5.649 -5.174 4.508 1.00 0.00 H new ATOM 0 HA VAL A 84 4.541 -2.992 5.938 1.00 0.00 H new ATOM 0 HB VAL A 84 6.746 -4.933 6.730 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.060 -4.415 9.037 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.656 -2.972 8.183 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.908 -3.208 8.418 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.941 -6.229 7.794 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.740 -5.103 7.118 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.723 -6.113 6.031 1.00 0.00 H new ATOM 1124 N LYS A 85 7.653 -2.780 4.910 1.00 0.00 N ATOM 1125 CA LYS A 85 8.781 -1.873 4.742 1.00 0.00 C ATOM 1126 C LYS A 85 8.386 -0.693 3.862 1.00 0.00 C ATOM 1127 O LYS A 85 8.621 0.464 4.213 1.00 0.00 O ATOM 1128 CB LYS A 85 9.971 -2.610 4.128 1.00 0.00 C ATOM 1129 CG LYS A 85 10.452 -3.789 4.960 1.00 0.00 C ATOM 1130 CD LYS A 85 11.574 -3.386 5.902 1.00 0.00 C ATOM 1131 CE LYS A 85 12.121 -4.582 6.663 1.00 0.00 C ATOM 1132 NZ LYS A 85 13.596 -4.497 6.848 1.00 0.00 N ATOM 0 H LYS A 85 7.742 -3.663 4.407 1.00 0.00 H new ATOM 0 HA LYS A 85 9.070 -1.498 5.724 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.695 -2.965 3.135 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.795 -1.908 3.998 1.00 0.00 H new ATOM 0 HG2 LYS A 85 9.619 -4.193 5.536 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.798 -4.584 4.300 1.00 0.00 H new ATOM 0 HD2 LYS A 85 12.377 -2.918 5.333 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.207 -2.641 6.608 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.636 -4.645 7.637 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.875 -5.498 6.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.929 -5.332 7.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 14.061 -4.463 5.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 13.830 -3.637 7.384 1.00 0.00 H new ATOM 1146 N SER A 86 7.777 -0.999 2.724 1.00 0.00 N ATOM 1147 CA SER A 86 7.336 0.032 1.793 1.00 0.00 C ATOM 1148 C SER A 86 6.198 0.843 2.397 1.00 0.00 C ATOM 1149 O SER A 86 6.165 2.070 2.284 1.00 0.00 O ATOM 1150 CB SER A 86 6.889 -0.599 0.473 1.00 0.00 C ATOM 1151 OG SER A 86 7.246 0.217 -0.629 1.00 0.00 O ATOM 0 H SER A 86 7.577 -1.953 2.423 1.00 0.00 H new ATOM 0 HA SER A 86 8.175 0.700 1.597 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.345 -1.583 0.364 1.00 0.00 H new ATOM 0 HB3 SER A 86 5.809 -0.748 0.485 1.00 0.00 H new ATOM 0 HG SER A 86 6.951 -0.209 -1.461 1.00 0.00 H new ATOM 1157 N SER A 87 5.269 0.150 3.046 1.00 0.00 N ATOM 1158 CA SER A 87 4.129 0.802 3.677 1.00 0.00 C ATOM 1159 C SER A 87 4.592 1.696 4.820 1.00 0.00 C ATOM 1160 O SER A 87 4.174 2.848 4.928 1.00 0.00 O ATOM 1161 CB SER A 87 3.136 -0.239 4.196 1.00 0.00 C ATOM 1162 OG SER A 87 2.541 -0.955 3.126 1.00 0.00 O ATOM 0 H SER A 87 5.284 -0.865 3.149 1.00 0.00 H new ATOM 0 HA SER A 87 3.631 1.419 2.929 1.00 0.00 H new ATOM 0 HB2 SER A 87 3.648 -0.934 4.862 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.361 0.254 4.783 1.00 0.00 H new ATOM 0 HG SER A 87 3.084 -1.744 2.919 1.00 0.00 H new ATOM 1168 N GLU A 88 5.463 1.161 5.670 1.00 0.00 N ATOM 1169 CA GLU A 88 5.988 1.916 6.804 1.00 0.00 C ATOM 1170 C GLU A 88 6.600 3.232 6.336 1.00 0.00 C ATOM 1171 O GLU A 88 6.369 4.285 6.932 1.00 0.00 O ATOM 1172 CB GLU A 88 7.033 1.091 7.557 1.00 0.00 C ATOM 1173 CG GLU A 88 6.436 0.152 8.593 1.00 0.00 C ATOM 1174 CD GLU A 88 5.814 0.892 9.761 1.00 0.00 C ATOM 1175 OE1 GLU A 88 6.548 1.209 10.721 1.00 0.00 O ATOM 1176 OE2 GLU A 88 4.594 1.154 9.717 1.00 0.00 O ATOM 0 H GLU A 88 5.820 0.209 5.596 1.00 0.00 H new ATOM 0 HA GLU A 88 5.161 2.137 7.479 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.609 0.507 6.839 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.731 1.767 8.051 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.679 -0.472 8.119 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.214 -0.516 8.963 1.00 0.00 H new ATOM 1183 N ASP A 89 7.378 3.162 5.264 1.00 0.00 N ATOM 1184 CA ASP A 89 8.021 4.346 4.707 1.00 0.00 C ATOM 1185 C ASP A 89 6.977 5.327 4.181 1.00 0.00 C ATOM 1186 O ASP A 89 7.155 6.542 4.268 1.00 0.00 O ATOM 1187 CB ASP A 89 8.984 3.950 3.585 1.00 0.00 C ATOM 1188 CG ASP A 89 10.438 4.130 3.979 1.00 0.00 C ATOM 1189 OD1 ASP A 89 10.992 3.223 4.632 1.00 0.00 O ATOM 1190 OD2 ASP A 89 11.019 5.180 3.637 1.00 0.00 O ATOM 0 H ASP A 89 7.580 2.297 4.762 1.00 0.00 H new ATOM 0 HA ASP A 89 8.587 4.834 5.500 1.00 0.00 H new ATOM 0 HB2 ASP A 89 8.811 2.909 3.312 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.773 4.551 2.700 1.00 0.00 H new ATOM 1195 N LEU A 90 5.889 4.791 3.637 1.00 0.00 N ATOM 1196 CA LEU A 90 4.816 5.618 3.100 1.00 0.00 C ATOM 1197 C LEU A 90 4.222 6.509 4.186 1.00 0.00 C ATOM 1198 O LEU A 90 4.017 7.706 3.978 1.00 0.00 O ATOM 1199 CB LEU A 90 3.724 4.740 2.481 1.00 0.00 C ATOM 1200 CG LEU A 90 2.449 5.478 2.068 1.00 0.00 C ATOM 1201 CD1 LEU A 90 1.863 4.864 0.806 1.00 0.00 C ATOM 1202 CD2 LEU A 90 1.430 5.450 3.198 1.00 0.00 C ATOM 0 H LEU A 90 5.728 3.787 3.557 1.00 0.00 H new ATOM 0 HA LEU A 90 5.236 6.257 2.323 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.136 4.241 1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.458 3.961 3.196 1.00 0.00 H new ATOM 0 HG LEU A 90 2.703 6.517 1.858 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.957 5.401 0.527 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.590 4.933 -0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.622 3.817 0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.529 5.979 2.888 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.180 4.416 3.437 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.851 5.934 4.079 1.00 0.00 H new ATOM 1214 N LEU A 91 3.957 5.922 5.345 1.00 0.00 N ATOM 1215 CA LEU A 91 3.396 6.670 6.466 1.00 0.00 C ATOM 1216 C LEU A 91 4.358 7.768 6.885 1.00 0.00 C ATOM 1217 O LEU A 91 3.983 8.937 6.987 1.00 0.00 O ATOM 1218 CB LEU A 91 3.112 5.751 7.656 1.00 0.00 C ATOM 1219 CG LEU A 91 2.611 4.358 7.293 1.00 0.00 C ATOM 1220 CD1 LEU A 91 2.520 3.481 8.532 1.00 0.00 C ATOM 1221 CD2 LEU A 91 1.262 4.443 6.594 1.00 0.00 C ATOM 0 H LEU A 91 4.120 4.933 5.535 1.00 0.00 H new ATOM 0 HA LEU A 91 2.454 7.112 6.142 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.025 5.650 8.243 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.372 6.231 8.297 1.00 0.00 H new ATOM 0 HG LEU A 91 3.325 3.903 6.607 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.160 2.491 8.251 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.506 3.393 8.989 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.828 3.929 9.245 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.919 3.440 6.342 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.538 4.918 7.256 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.361 5.032 5.682 1.00 0.00 H new ATOM 1233 N SER A 92 5.606 7.380 7.118 1.00 0.00 N ATOM 1234 CA SER A 92 6.640 8.327 7.516 1.00 0.00 C ATOM 1235 C SER A 92 6.755 9.450 6.489 1.00 0.00 C ATOM 1236 O SER A 92 6.897 10.622 6.844 1.00 0.00 O ATOM 1237 CB SER A 92 7.986 7.617 7.667 1.00 0.00 C ATOM 1238 OG SER A 92 7.852 6.431 8.434 1.00 0.00 O ATOM 0 H SER A 92 5.927 6.415 7.038 1.00 0.00 H new ATOM 0 HA SER A 92 6.361 8.756 8.478 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.386 7.374 6.682 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.702 8.285 8.146 1.00 0.00 H new ATOM 0 HG SER A 92 7.510 5.710 7.865 1.00 0.00 H new ATOM 1244 N ALA A 93 6.681 9.082 5.215 1.00 0.00 N ATOM 1245 CA ALA A 93 6.765 10.053 4.133 1.00 0.00 C ATOM 1246 C ALA A 93 5.557 10.982 4.153 1.00 0.00 C ATOM 1247 O ALA A 93 5.680 12.189 3.943 1.00 0.00 O ATOM 1248 CB ALA A 93 6.869 9.344 2.792 1.00 0.00 C ATOM 0 H ALA A 93 6.563 8.117 4.907 1.00 0.00 H new ATOM 0 HA ALA A 93 7.663 10.654 4.277 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.931 10.083 1.993 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.762 8.720 2.779 1.00 0.00 H new ATOM 0 HB3 ALA A 93 5.988 8.720 2.641 1.00 0.00 H new ATOM 1254 N LEU A 94 4.388 10.408 4.419 1.00 0.00 N ATOM 1255 CA LEU A 94 3.155 11.182 4.476 1.00 0.00 C ATOM 1256 C LEU A 94 3.213 12.190 5.615 1.00 0.00 C ATOM 1257 O LEU A 94 2.837 13.350 5.453 1.00 0.00 O ATOM 1258 CB LEU A 94 1.951 10.254 4.653 1.00 0.00 C ATOM 1259 CG LEU A 94 1.158 9.972 3.376 1.00 0.00 C ATOM 1260 CD1 LEU A 94 2.060 9.372 2.309 1.00 0.00 C ATOM 1261 CD2 LEU A 94 -0.013 9.046 3.670 1.00 0.00 C ATOM 0 H LEU A 94 4.270 9.411 4.598 1.00 0.00 H new ATOM 0 HA LEU A 94 3.044 11.723 3.537 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.299 9.306 5.063 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.279 10.693 5.391 1.00 0.00 H new ATOM 0 HG LEU A 94 0.764 10.916 3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.478 9.178 1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.865 10.070 2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.484 8.437 2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.566 8.856 2.750 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.360 8.103 4.070 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.673 9.514 4.400 1.00 0.00 H new ATOM 1273 N GLN A 95 3.692 11.738 6.771 1.00 0.00 N ATOM 1274 CA GLN A 95 3.806 12.599 7.943 1.00 0.00 C ATOM 1275 C GLN A 95 4.637 13.834 7.624 1.00 0.00 C ATOM 1276 O GLN A 95 4.215 14.961 7.879 1.00 0.00 O ATOM 1277 CB GLN A 95 4.425 11.832 9.112 1.00 0.00 C ATOM 1278 CG GLN A 95 3.411 11.069 9.945 1.00 0.00 C ATOM 1279 CD GLN A 95 3.325 9.605 9.564 1.00 0.00 C ATOM 1280 OE1 GLN A 95 4.334 8.902 9.522 1.00 0.00 O ATOM 1281 NE2 GLN A 95 2.114 9.136 9.282 1.00 0.00 N ATOM 0 H GLN A 95 4.007 10.780 6.920 1.00 0.00 H new ATOM 0 HA GLN A 95 2.804 12.921 8.228 1.00 0.00 H new ATOM 0 HB2 GLN A 95 5.165 11.132 8.725 1.00 0.00 H new ATOM 0 HB3 GLN A 95 4.956 12.534 9.755 1.00 0.00 H new ATOM 0 HG2 GLN A 95 3.677 11.151 10.999 1.00 0.00 H new ATOM 0 HG3 GLN A 95 2.430 11.529 9.827 1.00 0.00 H new ATOM 0 HE21 GLN A 95 1.304 9.754 9.329 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.995 8.158 9.018 1.00 0.00 H new ATOM 1290 N LYS A 96 5.814 13.622 7.047 1.00 0.00 N ATOM 1291 CA LYS A 96 6.679 14.733 6.680 1.00 0.00 C ATOM 1292 C LYS A 96 5.984 15.607 5.642 1.00 0.00 C ATOM 1293 O LYS A 96 6.225 16.813 5.561 1.00 0.00 O ATOM 1294 CB LYS A 96 8.020 14.224 6.143 1.00 0.00 C ATOM 1295 CG LYS A 96 7.921 13.506 4.805 1.00 0.00 C ATOM 1296 CD LYS A 96 9.248 13.527 4.064 1.00 0.00 C ATOM 1297 CE LYS A 96 9.278 12.507 2.937 1.00 0.00 C ATOM 1298 NZ LYS A 96 8.191 12.737 1.946 1.00 0.00 N ATOM 0 H LYS A 96 6.188 12.699 6.825 1.00 0.00 H new ATOM 0 HA LYS A 96 6.879 15.330 7.570 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.702 15.068 6.041 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.459 13.546 6.875 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.609 12.474 4.966 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.153 13.979 4.193 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.423 14.523 3.658 1.00 0.00 H new ATOM 0 HD3 LYS A 96 10.059 13.321 4.763 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.243 12.552 2.433 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.183 11.504 3.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.425 12.253 1.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 7.296 12.362 2.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.092 13.757 1.769 1.00 0.00 H new ATOM 1312 N LYS A 97 5.112 14.985 4.851 1.00 0.00 N ATOM 1313 CA LYS A 97 4.369 15.689 3.814 1.00 0.00 C ATOM 1314 C LYS A 97 3.341 16.642 4.415 1.00 0.00 C ATOM 1315 O LYS A 97 3.340 17.835 4.112 1.00 0.00 O ATOM 1316 CB LYS A 97 3.671 14.691 2.891 1.00 0.00 C ATOM 1317 CG LYS A 97 3.595 15.152 1.445 1.00 0.00 C ATOM 1318 CD LYS A 97 3.881 14.015 0.480 1.00 0.00 C ATOM 1319 CE LYS A 97 5.341 13.594 0.534 1.00 0.00 C ATOM 1320 NZ LYS A 97 6.225 14.560 -0.172 1.00 0.00 N ATOM 0 H LYS A 97 4.904 13.988 4.911 1.00 0.00 H new ATOM 0 HA LYS A 97 5.083 16.277 3.237 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.200 13.739 2.933 1.00 0.00 H new ATOM 0 HB3 LYS A 97 2.661 14.512 3.260 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.604 15.560 1.244 1.00 0.00 H new ATOM 0 HG3 LYS A 97 4.311 15.958 1.281 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.246 13.163 0.722 1.00 0.00 H new ATOM 0 HD3 LYS A 97 3.627 14.324 -0.534 1.00 0.00 H new ATOM 0 HE2 LYS A 97 5.655 13.508 1.574 1.00 0.00 H new ATOM 0 HE3 LYS A 97 5.451 12.607 0.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 7.220 14.312 0.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 6.033 14.524 -1.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 6.041 15.521 0.181 1.00 0.00 H new ATOM 1334 N LYS A 98 2.460 16.111 5.256 1.00 0.00 N ATOM 1335 CA LYS A 98 1.421 16.933 5.879 1.00 0.00 C ATOM 1336 C LYS A 98 2.032 18.027 6.751 1.00 0.00 C ATOM 1337 O LYS A 98 1.641 19.190 6.661 1.00 0.00 O ATOM 1338 CB LYS A 98 0.453 16.085 6.710 1.00 0.00 C ATOM 1339 CG LYS A 98 1.106 14.942 7.470 1.00 0.00 C ATOM 1340 CD LYS A 98 0.499 13.604 7.081 1.00 0.00 C ATOM 1341 CE LYS A 98 -0.489 13.113 8.128 1.00 0.00 C ATOM 1342 NZ LYS A 98 0.147 12.175 9.095 1.00 0.00 N ATOM 0 H LYS A 98 2.441 15.126 5.522 1.00 0.00 H new ATOM 0 HA LYS A 98 0.859 17.401 5.071 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.057 16.733 7.422 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.310 15.675 6.048 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.177 14.931 7.266 1.00 0.00 H new ATOM 0 HG3 LYS A 98 0.987 15.100 8.542 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -0.006 13.698 6.119 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.292 12.867 6.954 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -0.901 13.966 8.667 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.324 12.615 7.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.586 11.587 9.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.823 11.565 8.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 0.648 12.718 9.827 1.00 0.00 H new ATOM 1356 N GLN A 99 2.990 17.651 7.593 1.00 0.00 N ATOM 1357 CA GLN A 99 3.644 18.613 8.472 1.00 0.00 C ATOM 1358 C GLN A 99 4.382 19.675 7.664 1.00 0.00 C ATOM 1359 O GLN A 99 4.496 20.825 8.089 1.00 0.00 O ATOM 1360 CB GLN A 99 4.613 17.905 9.420 1.00 0.00 C ATOM 1361 CG GLN A 99 5.768 17.223 8.710 1.00 0.00 C ATOM 1362 CD GLN A 99 7.117 17.792 9.104 1.00 0.00 C ATOM 1363 OE1 GLN A 99 7.315 19.008 9.100 1.00 0.00 O ATOM 1364 NE2 GLN A 99 8.053 16.915 9.447 1.00 0.00 N ATOM 0 H GLN A 99 3.329 16.693 7.685 1.00 0.00 H new ATOM 0 HA GLN A 99 2.872 19.105 9.064 1.00 0.00 H new ATOM 0 HB2 GLN A 99 5.011 18.631 10.128 1.00 0.00 H new ATOM 0 HB3 GLN A 99 4.064 17.163 9.999 1.00 0.00 H new ATOM 0 HG2 GLN A 99 5.749 16.157 8.935 1.00 0.00 H new ATOM 0 HG3 GLN A 99 5.637 17.324 7.633 1.00 0.00 H new ATOM 0 HE21 GLN A 99 7.845 15.917 9.436 1.00 0.00 H new ATOM 0 HE22 GLN A 99 8.980 17.240 9.722 1.00 0.00 H new ATOM 1373 N GLN A 100 4.879 19.286 6.492 1.00 0.00 N ATOM 1374 CA GLN A 100 5.601 20.211 5.625 1.00 0.00 C ATOM 1375 C GLN A 100 4.660 21.274 5.067 1.00 0.00 C ATOM 1376 O GLN A 100 5.021 22.446 4.967 1.00 0.00 O ATOM 1377 CB GLN A 100 6.272 19.453 4.479 1.00 0.00 C ATOM 1378 CG GLN A 100 7.707 19.047 4.774 1.00 0.00 C ATOM 1379 CD GLN A 100 8.315 18.207 3.668 1.00 0.00 C ATOM 1380 OE1 GLN A 100 8.426 16.906 3.905 1.00 0.00 O flip ATOM 1381 NE2 GLN A 100 8.680 18.722 2.611 1.00 0.00 N flip ATOM 0 H GLN A 100 4.795 18.339 6.123 1.00 0.00 H new ATOM 0 HA GLN A 100 6.369 20.705 6.220 1.00 0.00 H new ATOM 0 HB2 GLN A 100 5.689 18.559 4.256 1.00 0.00 H new ATOM 0 HB3 GLN A 100 6.256 20.076 3.585 1.00 0.00 H new ATOM 0 HG2 GLN A 100 8.311 19.942 4.919 1.00 0.00 H new ATOM 0 HG3 GLN A 100 7.737 18.487 5.709 1.00 0.00 H new ATOM 0 HE21 GLN A 100 8.576 19.727 2.471 1.00 0.00 H new ATOM 0 HE22 GLN A 100 9.086 18.144 1.876 1.00 0.00 H new ATOM 1390 N GLU A 101 3.451 20.854 4.706 1.00 0.00 N ATOM 1391 CA GLU A 101 2.453 21.767 4.159 1.00 0.00 C ATOM 1392 C GLU A 101 2.969 22.446 2.890 1.00 0.00 C ATOM 1393 O GLU A 101 2.572 23.567 2.572 1.00 0.00 O ATOM 1394 CB GLU A 101 2.073 22.821 5.201 1.00 0.00 C ATOM 1395 CG GLU A 101 0.662 22.659 5.741 1.00 0.00 C ATOM 1396 CD GLU A 101 0.280 23.756 6.716 1.00 0.00 C ATOM 1397 OE1 GLU A 101 -0.031 24.876 6.259 1.00 0.00 O ATOM 1398 OE2 GLU A 101 0.293 23.494 7.938 1.00 0.00 O ATOM 0 H GLU A 101 3.139 19.886 4.783 1.00 0.00 H new ATOM 0 HA GLU A 101 1.568 21.186 3.900 1.00 0.00 H new ATOM 0 HB2 GLU A 101 2.779 22.771 6.030 1.00 0.00 H new ATOM 0 HB3 GLU A 101 2.172 23.812 4.757 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -0.043 22.656 4.910 1.00 0.00 H new ATOM 0 HG3 GLU A 101 0.575 21.692 6.236 1.00 0.00 H new ATOM 1405 N GLU A 102 3.853 21.760 2.172 1.00 0.00 N ATOM 1406 CA GLU A 102 4.418 22.299 0.941 1.00 0.00 C ATOM 1407 C GLU A 102 5.011 21.187 0.083 1.00 0.00 C ATOM 1408 O GLU A 102 5.783 20.359 0.567 1.00 0.00 O ATOM 1409 CB GLU A 102 5.493 23.338 1.261 1.00 0.00 C ATOM 1410 CG GLU A 102 4.932 24.663 1.752 1.00 0.00 C ATOM 1411 CD GLU A 102 5.918 25.805 1.599 1.00 0.00 C ATOM 1412 OE1 GLU A 102 7.129 25.531 1.468 1.00 0.00 O ATOM 1413 OE2 GLU A 102 5.478 26.974 1.606 1.00 0.00 O ATOM 0 H GLU A 102 4.193 20.831 2.421 1.00 0.00 H new ATOM 0 HA GLU A 102 3.615 22.778 0.381 1.00 0.00 H new ATOM 0 HB2 GLU A 102 6.163 22.933 2.019 1.00 0.00 H new ATOM 0 HB3 GLU A 102 6.092 23.515 0.368 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.023 24.896 1.198 1.00 0.00 H new ATOM 0 HG3 GLU A 102 4.651 24.568 2.801 1.00 0.00 H new ATOM 1420 N GLU A 103 4.647 21.175 -1.195 1.00 0.00 N ATOM 1421 CA GLU A 103 5.144 20.163 -2.123 1.00 0.00 C ATOM 1422 C GLU A 103 6.602 20.425 -2.500 1.00 0.00 C ATOM 1423 O GLU A 103 7.261 19.568 -3.088 1.00 0.00 O ATOM 1424 CB GLU A 103 4.280 20.133 -3.385 1.00 0.00 C ATOM 1425 CG GLU A 103 2.786 20.150 -3.100 1.00 0.00 C ATOM 1426 CD GLU A 103 1.980 19.454 -4.177 1.00 0.00 C ATOM 1427 OE1 GLU A 103 2.507 18.503 -4.793 1.00 0.00 O ATOM 1428 OE2 GLU A 103 0.819 19.856 -4.404 1.00 0.00 O ATOM 0 H GLU A 103 4.010 21.854 -1.612 1.00 0.00 H new ATOM 0 HA GLU A 103 5.088 19.196 -1.624 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.532 20.991 -4.009 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.522 19.239 -3.960 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.597 19.667 -2.141 1.00 0.00 H new ATOM 0 HG3 GLU A 103 2.449 21.183 -3.009 1.00 0.00 H new TER 1435 GLU A 103