USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 560 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 18 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: B 22 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Set 2.1: A 18 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 22 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Set 3.1: A 17 ASN : amide:sc= -2.99! C(o=-5.8!,f=-11!) USER MOD Set 3.2: B 17 ASN : amide:sc= -2.85! C(o=-5.8!,f=-11!) USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.0969 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0197 USER MOD Single : A 3 MET CE :methyl -164:sc= -0.276 (180deg=-0.958) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.343 X(o=-0.34,f=-0.12) USER MOD Single : A 9 LYS NZ :NH3+ 169:sc= -0.0177 (180deg=-0.152) USER MOD Single : A 15 SER OG : rot 58:sc= 0.964 USER MOD Single : A 16 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0696) USER MOD Single : A 19 HIS : no HD1:sc=-0.00135 X(o=-0.0014,f=-0.17) USER MOD Single : A 28 LYS NZ :NH3+ -167:sc= 1.09 (180deg=0.687) USER MOD Single : A 29 LYS NZ :NH3+ -164:sc= -0.0811 (180deg=-0.459) USER MOD Single : B 1 GLY N :NH3+ -117:sc= 0.1 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= -0.0122 USER MOD Single : B 3 MET CE :methyl -164:sc= -0.247 (180deg=-0.934) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 GLN : amide:sc= -0.364 X(o=-0.36,f=-0.13) USER MOD Single : B 9 LYS NZ :NH3+ 169:sc=-0.00977 (180deg=-0.133) USER MOD Single : B 15 SER OG : rot 57:sc= 0.988 USER MOD Single : B 16 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0584) USER MOD Single : B 19 HIS : no HD1:sc=-0.00232 X(o=-0.0023,f=-0.19) USER MOD Single : B 28 LYS NZ :NH3+ -166:sc= 1.09 (180deg=0.869) USER MOD Single : B 29 LYS NZ :NH3+ -163:sc= -0.0972 (180deg=-0.473) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.157 -3.889 -6.779 1.00 0.00 N ATOM 2 CA GLY A 1 -23.644 -4.162 -5.416 1.00 0.00 C ATOM 3 C GLY A 1 -22.878 -2.985 -4.863 1.00 0.00 C ATOM 4 O GLY A 1 -22.605 -2.023 -5.582 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.196 -3.928 -6.773 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.848 -2.944 -7.083 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.787 -4.603 -7.439 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.477 -4.398 -4.754 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.997 -5.039 -5.439 1.00 0.00 H new ATOM 10 N SER A 2 -22.532 -3.051 -3.588 1.00 0.00 N ATOM 11 CA SER A 2 -21.790 -1.981 -2.947 1.00 0.00 C ATOM 12 C SER A 2 -20.780 -2.541 -1.956 1.00 0.00 C ATOM 13 O SER A 2 -19.576 -2.385 -2.136 1.00 0.00 O ATOM 14 CB SER A 2 -22.752 -1.025 -2.236 1.00 0.00 C ATOM 15 OG SER A 2 -23.702 -1.743 -1.464 1.00 0.00 O ATOM 0 H SER A 2 -22.754 -3.836 -2.976 1.00 0.00 H new ATOM 0 HA SER A 2 -21.247 -1.432 -3.716 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.189 -0.350 -1.591 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.267 -0.408 -2.972 1.00 0.00 H new ATOM 0 HG SER A 2 -24.305 -1.112 -1.018 1.00 0.00 H new ATOM 21 N MET A 3 -21.287 -3.227 -0.938 1.00 0.00 N ATOM 22 CA MET A 3 -20.463 -3.712 0.164 1.00 0.00 C ATOM 23 C MET A 3 -19.280 -4.541 -0.325 1.00 0.00 C ATOM 24 O MET A 3 -18.132 -4.192 -0.071 1.00 0.00 O ATOM 25 CB MET A 3 -21.306 -4.535 1.141 1.00 0.00 C ATOM 26 CG MET A 3 -22.436 -3.751 1.791 1.00 0.00 C ATOM 27 SD MET A 3 -21.861 -2.289 2.681 1.00 0.00 S ATOM 28 CE MET A 3 -20.765 -3.028 3.891 1.00 0.00 C ATOM 0 H MET A 3 -22.276 -3.462 -0.853 1.00 0.00 H new ATOM 0 HA MET A 3 -20.065 -2.836 0.676 1.00 0.00 H new ATOM 0 HB2 MET A 3 -21.727 -5.390 0.612 1.00 0.00 H new ATOM 0 HB3 MET A 3 -20.656 -4.932 1.921 1.00 0.00 H new ATOM 0 HG2 MET A 3 -23.147 -3.446 1.023 1.00 0.00 H new ATOM 0 HG3 MET A 3 -22.972 -4.402 2.481 1.00 0.00 H new ATOM 0 HE1 MET A 3 -20.558 -2.307 4.682 1.00 0.00 H new ATOM 0 HE2 MET A 3 -21.239 -3.911 4.320 1.00 0.00 H new ATOM 0 HE3 MET A 3 -19.831 -3.315 3.408 1.00 0.00 H new ATOM 38 N LYS A 4 -19.553 -5.615 -1.055 1.00 0.00 N ATOM 39 CA LYS A 4 -18.499 -6.543 -1.459 1.00 0.00 C ATOM 40 C LYS A 4 -17.786 -6.065 -2.722 1.00 0.00 C ATOM 41 O LYS A 4 -16.737 -6.590 -3.084 1.00 0.00 O ATOM 42 CB LYS A 4 -19.049 -7.957 -1.675 1.00 0.00 C ATOM 43 CG LYS A 4 -19.425 -8.686 -0.389 1.00 0.00 C ATOM 44 CD LYS A 4 -20.738 -8.189 0.201 1.00 0.00 C ATOM 45 CE LYS A 4 -21.922 -8.552 -0.682 1.00 0.00 C ATOM 46 NZ LYS A 4 -23.216 -8.136 -0.081 1.00 0.00 N ATOM 0 H LYS A 4 -20.487 -5.866 -1.379 1.00 0.00 H new ATOM 0 HA LYS A 4 -17.776 -6.573 -0.644 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -19.928 -7.898 -2.316 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -18.304 -8.547 -2.209 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -19.502 -9.754 -0.590 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -18.629 -8.557 0.344 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -20.878 -8.619 1.193 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -20.695 -7.107 0.326 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -21.806 -8.077 -1.656 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -21.931 -9.629 -0.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -23.995 -8.403 -0.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -23.340 -8.608 0.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -23.219 -7.105 0.057 1.00 0.00 H new ATOM 60 N GLN A 5 -18.343 -5.053 -3.364 1.00 0.00 N ATOM 61 CA GLN A 5 -17.785 -4.510 -4.598 1.00 0.00 C ATOM 62 C GLN A 5 -16.767 -3.441 -4.262 1.00 0.00 C ATOM 63 O GLN A 5 -15.668 -3.411 -4.812 1.00 0.00 O ATOM 64 CB GLN A 5 -18.890 -3.928 -5.482 1.00 0.00 C ATOM 65 CG GLN A 5 -19.706 -4.979 -6.218 1.00 0.00 C ATOM 66 CD GLN A 5 -18.910 -5.674 -7.309 1.00 0.00 C ATOM 67 OE1 GLN A 5 -18.877 -5.219 -8.453 1.00 0.00 O ATOM 68 NE2 GLN A 5 -18.275 -6.785 -6.972 1.00 0.00 N ATOM 0 H GLN A 5 -19.192 -4.583 -3.049 1.00 0.00 H new ATOM 0 HA GLN A 5 -17.298 -5.314 -5.150 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -19.559 -3.329 -4.864 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -18.441 -3.254 -6.211 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -20.064 -5.721 -5.505 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -20.586 -4.509 -6.658 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -18.326 -7.131 -6.014 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -17.735 -7.295 -7.670 1.00 0.00 H new ATOM 77 N LEU A 6 -17.142 -2.576 -3.338 1.00 0.00 N ATOM 78 CA LEU A 6 -16.225 -1.594 -2.800 1.00 0.00 C ATOM 79 C LEU A 6 -15.151 -2.315 -2.006 1.00 0.00 C ATOM 80 O LEU A 6 -13.971 -1.996 -2.113 1.00 0.00 O ATOM 81 CB LEU A 6 -16.959 -0.592 -1.908 1.00 0.00 C ATOM 82 CG LEU A 6 -17.618 0.611 -2.606 1.00 0.00 C ATOM 83 CD1 LEU A 6 -16.568 1.644 -2.984 1.00 0.00 C ATOM 84 CD2 LEU A 6 -18.404 0.181 -3.837 1.00 0.00 C ATOM 0 H LEU A 6 -18.082 -2.535 -2.944 1.00 0.00 H new ATOM 0 HA LEU A 6 -15.772 -1.038 -3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -17.731 -1.130 -1.358 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -16.251 -0.211 -1.172 1.00 0.00 H new ATOM 0 HG LEU A 6 -18.320 1.059 -1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -17.049 2.489 -3.477 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -16.058 1.991 -2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -15.842 1.194 -3.662 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -18.856 1.056 -4.304 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -17.733 -0.304 -4.546 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -19.187 -0.518 -3.543 1.00 0.00 H new ATOM 96 N GLU A 7 -15.575 -3.311 -1.226 1.00 0.00 N ATOM 97 CA GLU A 7 -14.648 -4.155 -0.480 1.00 0.00 C ATOM 98 C GLU A 7 -13.677 -4.848 -1.430 1.00 0.00 C ATOM 99 O GLU A 7 -12.517 -5.079 -1.077 1.00 0.00 O ATOM 100 CB GLU A 7 -15.407 -5.194 0.343 1.00 0.00 C ATOM 101 CG GLU A 7 -14.519 -6.042 1.235 1.00 0.00 C ATOM 102 CD GLU A 7 -15.305 -7.053 2.044 1.00 0.00 C ATOM 103 OE1 GLU A 7 -15.582 -6.775 3.229 1.00 0.00 O ATOM 104 OE2 GLU A 7 -15.651 -8.117 1.490 1.00 0.00 O ATOM 0 H GLU A 7 -16.558 -3.551 -1.096 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.082 -3.519 0.201 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -16.145 -4.684 0.962 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -15.956 -5.849 -0.334 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.786 -6.564 0.621 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.964 -5.393 1.912 1.00 0.00 H new ATOM 111 N ASP A 8 -14.148 -5.176 -2.637 1.00 0.00 N ATOM 112 CA ASP A 8 -13.262 -5.736 -3.659 1.00 0.00 C ATOM 113 C ASP A 8 -12.095 -4.797 -3.917 1.00 0.00 C ATOM 114 O ASP A 8 -10.949 -5.229 -4.022 1.00 0.00 O ATOM 115 CB ASP A 8 -13.996 -5.999 -4.977 1.00 0.00 C ATOM 116 CG ASP A 8 -14.577 -7.395 -5.059 1.00 0.00 C ATOM 117 OD1 ASP A 8 -15.758 -7.523 -5.437 1.00 0.00 O ATOM 118 OD2 ASP A 8 -13.850 -8.357 -4.744 1.00 0.00 O ATOM 0 H ASP A 8 -15.120 -5.066 -2.926 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.898 -6.689 -3.277 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.798 -5.270 -5.092 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.306 -5.848 -5.808 1.00 0.00 H new ATOM 123 N LYS A 9 -12.397 -3.509 -3.994 1.00 0.00 N ATOM 124 CA LYS A 9 -11.385 -2.494 -4.249 1.00 0.00 C ATOM 125 C LYS A 9 -10.513 -2.268 -3.019 1.00 0.00 C ATOM 126 O LYS A 9 -9.301 -2.069 -3.140 1.00 0.00 O ATOM 127 CB LYS A 9 -12.044 -1.181 -4.670 1.00 0.00 C ATOM 128 CG LYS A 9 -12.888 -1.301 -5.928 1.00 0.00 C ATOM 129 CD LYS A 9 -12.046 -1.703 -7.129 1.00 0.00 C ATOM 130 CE LYS A 9 -12.895 -1.876 -8.378 1.00 0.00 C ATOM 131 NZ LYS A 9 -13.604 -0.623 -8.749 1.00 0.00 N ATOM 0 H LYS A 9 -13.341 -3.140 -3.883 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.749 -2.850 -5.059 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.671 -0.821 -3.854 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.270 -0.431 -4.832 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -13.674 -2.039 -5.770 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -13.380 -0.349 -6.129 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.284 -0.945 -7.309 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.524 -2.635 -6.912 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.261 -2.192 -9.206 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.624 -2.670 -8.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -14.018 -0.726 -9.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.360 -0.435 -8.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.931 0.170 -8.750 1.00 0.00 H new ATOM 145 N VAL A 10 -11.128 -2.304 -1.838 1.00 0.00 N ATOM 146 CA VAL A 10 -10.398 -2.112 -0.588 1.00 0.00 C ATOM 147 C VAL A 10 -9.298 -3.164 -0.450 1.00 0.00 C ATOM 148 O VAL A 10 -8.123 -2.834 -0.298 1.00 0.00 O ATOM 149 CB VAL A 10 -11.312 -2.207 0.659 1.00 0.00 C ATOM 150 CG1 VAL A 10 -10.580 -1.718 1.894 1.00 0.00 C ATOM 151 CG2 VAL A 10 -12.599 -1.425 0.488 1.00 0.00 C ATOM 0 H VAL A 10 -12.129 -2.464 -1.721 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.976 -1.108 -0.633 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.573 -3.258 0.780 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.238 -1.792 2.760 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.694 -2.331 2.058 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -10.282 -0.679 1.753 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.206 -1.522 1.388 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -12.366 -0.374 0.319 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.152 -1.816 -0.366 1.00 0.00 H new ATOM 161 N GLU A 11 -9.689 -4.433 -0.537 1.00 0.00 N ATOM 162 CA GLU A 11 -8.752 -5.539 -0.364 1.00 0.00 C ATOM 163 C GLU A 11 -7.786 -5.625 -1.550 1.00 0.00 C ATOM 164 O GLU A 11 -6.699 -6.195 -1.444 1.00 0.00 O ATOM 165 CB GLU A 11 -9.515 -6.858 -0.199 1.00 0.00 C ATOM 166 CG GLU A 11 -8.625 -8.033 0.172 1.00 0.00 C ATOM 167 CD GLU A 11 -9.391 -9.336 0.306 1.00 0.00 C ATOM 168 OE1 GLU A 11 -9.498 -10.066 -0.701 1.00 0.00 O ATOM 169 OE2 GLU A 11 -9.875 -9.627 1.418 1.00 0.00 O ATOM 0 H GLU A 11 -10.649 -4.721 -0.726 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.167 -5.356 0.538 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.277 -6.733 0.570 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.035 -7.086 -1.129 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.851 -8.149 -0.586 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.120 -7.816 1.113 1.00 0.00 H new ATOM 176 N GLU A 12 -8.176 -5.043 -2.674 1.00 0.00 N ATOM 177 CA GLU A 12 -7.310 -4.992 -3.842 1.00 0.00 C ATOM 178 C GLU A 12 -6.156 -4.034 -3.573 1.00 0.00 C ATOM 179 O GLU A 12 -5.000 -4.320 -3.889 1.00 0.00 O ATOM 180 CB GLU A 12 -8.107 -4.567 -5.078 1.00 0.00 C ATOM 181 CG GLU A 12 -7.286 -4.510 -6.355 1.00 0.00 C ATOM 182 CD GLU A 12 -8.140 -4.322 -7.594 1.00 0.00 C ATOM 183 OE1 GLU A 12 -8.676 -3.212 -7.787 1.00 0.00 O ATOM 184 OE2 GLU A 12 -8.266 -5.288 -8.377 1.00 0.00 O ATOM 0 H GLU A 12 -9.086 -4.600 -2.802 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.902 -5.984 -4.038 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.934 -5.263 -5.221 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.544 -3.585 -4.896 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.570 -3.691 -6.285 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.710 -5.430 -6.453 1.00 0.00 H new ATOM 191 N LEU A 13 -6.470 -2.906 -2.952 1.00 0.00 N ATOM 192 CA LEU A 13 -5.442 -1.984 -2.502 1.00 0.00 C ATOM 193 C LEU A 13 -4.703 -2.575 -1.311 1.00 0.00 C ATOM 194 O LEU A 13 -3.543 -2.252 -1.068 1.00 0.00 O ATOM 195 CB LEU A 13 -6.040 -0.627 -2.130 1.00 0.00 C ATOM 196 CG LEU A 13 -6.661 0.151 -3.290 1.00 0.00 C ATOM 197 CD1 LEU A 13 -7.105 1.525 -2.825 1.00 0.00 C ATOM 198 CD2 LEU A 13 -5.680 0.274 -4.446 1.00 0.00 C ATOM 0 H LEU A 13 -7.425 -2.610 -2.750 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.741 -1.829 -3.322 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.803 -0.781 -1.367 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.259 -0.015 -1.680 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.534 -0.399 -3.642 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.545 2.068 -3.662 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.845 1.419 -2.032 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.244 2.077 -2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.144 0.831 -5.260 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.786 0.799 -4.110 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.406 -0.721 -4.798 1.00 0.00 H new ATOM 210 N LEU A 14 -5.389 -3.439 -0.573 1.00 0.00 N ATOM 211 CA LEU A 14 -4.786 -4.165 0.541 1.00 0.00 C ATOM 212 C LEU A 14 -3.714 -5.120 0.020 1.00 0.00 C ATOM 213 O LEU A 14 -2.762 -5.457 0.723 1.00 0.00 O ATOM 214 CB LEU A 14 -5.856 -4.957 1.290 1.00 0.00 C ATOM 215 CG LEU A 14 -5.446 -5.479 2.669 1.00 0.00 C ATOM 216 CD1 LEU A 14 -5.310 -4.332 3.657 1.00 0.00 C ATOM 217 CD2 LEU A 14 -6.454 -6.500 3.172 1.00 0.00 C ATOM 0 H LEU A 14 -6.374 -3.656 -0.727 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.329 -3.447 1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.736 -4.324 1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.153 -5.805 0.673 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.476 -5.968 2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.018 -4.724 4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.550 -3.635 3.303 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.264 -3.813 3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.147 -6.861 4.154 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.437 -6.034 3.247 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.502 -7.338 2.476 1.00 0.00 H new ATOM 229 N SER A 15 -3.884 -5.539 -1.228 1.00 0.00 N ATOM 230 CA SER A 15 -2.947 -6.435 -1.883 1.00 0.00 C ATOM 231 C SER A 15 -1.652 -5.698 -2.185 1.00 0.00 C ATOM 232 O SER A 15 -0.561 -6.216 -1.943 1.00 0.00 O ATOM 233 CB SER A 15 -3.554 -6.994 -3.171 1.00 0.00 C ATOM 234 OG SER A 15 -4.824 -7.575 -2.925 1.00 0.00 O ATOM 0 H SER A 15 -4.675 -5.266 -1.811 1.00 0.00 H new ATOM 0 HA SER A 15 -2.732 -7.269 -1.215 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.652 -6.196 -3.907 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.885 -7.741 -3.598 1.00 0.00 H new ATOM 0 HG SER A 15 -5.419 -6.905 -2.529 1.00 0.00 H new ATOM 240 N LYS A 16 -1.768 -4.479 -2.708 1.00 0.00 N ATOM 241 CA LYS A 16 -0.591 -3.649 -2.898 1.00 0.00 C ATOM 242 C LYS A 16 -0.032 -3.236 -1.548 1.00 0.00 C ATOM 243 O LYS A 16 1.177 -3.186 -1.377 1.00 0.00 O ATOM 244 CB LYS A 16 -0.866 -2.414 -3.762 1.00 0.00 C ATOM 245 CG LYS A 16 -1.007 -2.720 -5.246 1.00 0.00 C ATOM 246 CD LYS A 16 -0.679 -1.507 -6.113 1.00 0.00 C ATOM 247 CE LYS A 16 -1.687 -0.376 -5.954 1.00 0.00 C ATOM 248 NZ LYS A 16 -3.026 -0.743 -6.484 1.00 0.00 N ATOM 0 H LYS A 16 -2.648 -4.055 -3.001 1.00 0.00 H new ATOM 0 HA LYS A 16 0.143 -4.248 -3.437 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.779 -1.933 -3.412 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.056 -1.698 -3.624 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.345 -3.545 -5.511 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.025 -3.049 -5.453 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.315 -1.140 -5.855 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.645 -1.812 -7.159 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.774 -0.114 -4.900 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.322 0.510 -6.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.637 0.099 -6.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.927 -1.114 -7.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.452 -1.471 -5.876 1.00 0.00 H new ATOM 262 N ASN A 17 -0.915 -2.970 -0.583 1.00 0.00 N ATOM 263 CA ASN A 17 -0.485 -2.699 0.788 1.00 0.00 C ATOM 264 C ASN A 17 0.422 -3.810 1.271 1.00 0.00 C ATOM 265 O ASN A 17 1.486 -3.553 1.826 1.00 0.00 O ATOM 266 CB ASN A 17 -1.675 -2.582 1.744 1.00 0.00 C ATOM 267 CG ASN A 17 -2.120 -1.155 1.968 1.00 0.00 C ATOM 268 OD1 ASN A 17 -1.630 -0.477 2.864 1.00 0.00 O ATOM 269 ND2 ASN A 17 -3.063 -0.694 1.171 1.00 0.00 N ATOM 0 H ASN A 17 -1.925 -2.937 -0.725 1.00 0.00 H new ATOM 0 HA ASN A 17 0.048 -1.748 0.781 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.510 -3.158 1.346 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.408 -3.027 2.702 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.410 0.258 1.289 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.446 -1.289 0.436 1.00 0.00 H new ATOM 276 N TYR A 18 0.005 -5.047 1.036 1.00 0.00 N ATOM 277 CA TYR A 18 0.810 -6.193 1.429 1.00 0.00 C ATOM 278 C TYR A 18 2.155 -6.188 0.702 1.00 0.00 C ATOM 279 O TYR A 18 3.207 -6.328 1.320 1.00 0.00 O ATOM 280 CB TYR A 18 0.065 -7.501 1.151 1.00 0.00 C ATOM 281 CG TYR A 18 0.870 -8.734 1.495 1.00 0.00 C ATOM 282 CD1 TYR A 18 1.026 -9.138 2.814 1.00 0.00 C ATOM 283 CD2 TYR A 18 1.480 -9.489 0.500 1.00 0.00 C ATOM 284 CE1 TYR A 18 1.769 -10.258 3.133 1.00 0.00 C ATOM 285 CE2 TYR A 18 2.223 -10.610 0.811 1.00 0.00 C ATOM 286 CZ TYR A 18 2.364 -10.990 2.127 1.00 0.00 C ATOM 287 OH TYR A 18 3.107 -12.108 2.439 1.00 0.00 O ATOM 0 H TYR A 18 -0.877 -5.280 0.580 1.00 0.00 H new ATOM 0 HA TYR A 18 0.995 -6.120 2.501 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.863 -7.511 1.723 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.209 -7.537 0.097 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.559 -8.568 3.603 1.00 0.00 H new ATOM 0 HD2 TYR A 18 1.371 -9.194 -0.533 1.00 0.00 H new ATOM 0 HE1 TYR A 18 1.883 -10.559 4.164 1.00 0.00 H new ATOM 0 HE2 TYR A 18 2.691 -11.186 0.026 1.00 0.00 H new ATOM 0 HH TYR A 18 3.456 -12.509 1.616 1.00 0.00 H new ATOM 297 N HIS A 19 2.108 -6.000 -0.611 1.00 0.00 N ATOM 298 CA HIS A 19 3.310 -6.062 -1.438 1.00 0.00 C ATOM 299 C HIS A 19 4.274 -4.917 -1.135 1.00 0.00 C ATOM 300 O HIS A 19 5.450 -5.152 -0.881 1.00 0.00 O ATOM 301 CB HIS A 19 2.943 -6.062 -2.922 1.00 0.00 C ATOM 302 CG HIS A 19 2.372 -7.362 -3.391 1.00 0.00 C ATOM 303 ND1 HIS A 19 1.154 -7.470 -4.026 1.00 0.00 N ATOM 304 CD2 HIS A 19 2.866 -8.620 -3.318 1.00 0.00 C ATOM 305 CE1 HIS A 19 0.926 -8.734 -4.322 1.00 0.00 C ATOM 306 NE2 HIS A 19 1.950 -9.452 -3.904 1.00 0.00 N ATOM 0 H HIS A 19 1.251 -5.803 -1.128 1.00 0.00 H new ATOM 0 HA HIS A 19 3.819 -6.995 -1.195 1.00 0.00 H new ATOM 0 HB2 HIS A 19 2.221 -5.267 -3.110 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.832 -5.831 -3.509 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.808 -8.913 -2.879 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.049 -9.117 -4.822 1.00 0.00 H new ATOM 0 HE2 HIS A 19 2.044 -10.463 -4.001 1.00 0.00 H new ATOM 315 N LEU A 20 3.768 -3.690 -1.154 1.00 0.00 N ATOM 316 CA LEU A 20 4.588 -2.505 -0.903 1.00 0.00 C ATOM 317 C LEU A 20 5.245 -2.607 0.454 1.00 0.00 C ATOM 318 O LEU A 20 6.457 -2.482 0.585 1.00 0.00 O ATOM 319 CB LEU A 20 3.736 -1.235 -0.922 1.00 0.00 C ATOM 320 CG LEU A 20 2.884 -1.024 -2.158 1.00 0.00 C ATOM 321 CD1 LEU A 20 2.205 0.331 -2.124 1.00 0.00 C ATOM 322 CD2 LEU A 20 3.698 -1.194 -3.431 1.00 0.00 C ATOM 0 H LEU A 20 2.786 -3.486 -1.342 1.00 0.00 H new ATOM 0 HA LEU A 20 5.341 -2.453 -1.690 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.081 -1.248 -0.051 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.398 -0.376 -0.810 1.00 0.00 H new ATOM 0 HG LEU A 20 2.109 -1.791 -2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.600 0.457 -3.022 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.566 0.396 -1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.960 1.116 -2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.056 -1.036 -4.297 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.510 -0.467 -3.444 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.113 -2.201 -3.466 1.00 0.00 H new ATOM 334 N GLU A 21 4.416 -2.849 1.455 1.00 0.00 N ATOM 335 CA GLU A 21 4.870 -2.919 2.840 1.00 0.00 C ATOM 336 C GLU A 21 5.951 -3.986 2.993 1.00 0.00 C ATOM 337 O GLU A 21 6.931 -3.797 3.720 1.00 0.00 O ATOM 338 CB GLU A 21 3.690 -3.216 3.767 1.00 0.00 C ATOM 339 CG GLU A 21 3.811 -2.577 5.139 1.00 0.00 C ATOM 340 CD GLU A 21 2.605 -2.856 6.014 1.00 0.00 C ATOM 341 OE1 GLU A 21 2.650 -3.831 6.792 1.00 0.00 O ATOM 342 OE2 GLU A 21 1.616 -2.101 5.919 1.00 0.00 O ATOM 0 H GLU A 21 3.415 -3.002 1.336 1.00 0.00 H new ATOM 0 HA GLU A 21 5.297 -1.955 3.117 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.772 -2.867 3.294 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.597 -4.295 3.886 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.709 -2.949 5.633 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.933 -1.500 5.026 1.00 0.00 H new ATOM 349 N ASN A 22 5.774 -5.103 2.294 1.00 0.00 N ATOM 350 CA ASN A 22 6.776 -6.162 2.273 1.00 0.00 C ATOM 351 C ASN A 22 8.029 -5.702 1.540 1.00 0.00 C ATOM 352 O ASN A 22 9.146 -5.965 1.986 1.00 0.00 O ATOM 353 CB ASN A 22 6.228 -7.432 1.614 1.00 0.00 C ATOM 354 CG ASN A 22 5.427 -8.300 2.567 1.00 0.00 C ATOM 355 OD1 ASN A 22 4.818 -7.812 3.522 1.00 0.00 O ATOM 356 ND2 ASN A 22 5.429 -9.600 2.318 1.00 0.00 N ATOM 0 H ASN A 22 4.944 -5.298 1.734 1.00 0.00 H new ATOM 0 HA ASN A 22 7.032 -6.392 3.307 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.598 -7.153 0.770 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.058 -8.013 1.213 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.914 -10.237 2.926 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.945 -9.965 1.518 1.00 0.00 H new ATOM 363 N GLU A 23 7.844 -5.004 0.422 1.00 0.00 N ATOM 364 CA GLU A 23 8.974 -4.507 -0.359 1.00 0.00 C ATOM 365 C GLU A 23 9.805 -3.522 0.455 1.00 0.00 C ATOM 366 O GLU A 23 11.035 -3.562 0.413 1.00 0.00 O ATOM 367 CB GLU A 23 8.501 -3.845 -1.657 1.00 0.00 C ATOM 368 CG GLU A 23 7.895 -4.818 -2.659 1.00 0.00 C ATOM 369 CD GLU A 23 8.875 -5.886 -3.108 1.00 0.00 C ATOM 370 OE1 GLU A 23 8.999 -6.911 -2.407 1.00 0.00 O ATOM 371 OE2 GLU A 23 9.517 -5.696 -4.162 1.00 0.00 O ATOM 0 H GLU A 23 6.928 -4.771 0.038 1.00 0.00 H new ATOM 0 HA GLU A 23 9.597 -5.364 -0.616 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.763 -3.080 -1.416 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.345 -3.337 -2.123 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.023 -5.296 -2.213 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.544 -4.264 -3.530 1.00 0.00 H new ATOM 378 N VAL A 24 9.131 -2.652 1.201 1.00 0.00 N ATOM 379 CA VAL A 24 9.814 -1.695 2.062 1.00 0.00 C ATOM 380 C VAL A 24 10.660 -2.434 3.098 1.00 0.00 C ATOM 381 O VAL A 24 11.794 -2.051 3.378 1.00 0.00 O ATOM 382 CB VAL A 24 8.826 -0.760 2.802 1.00 0.00 C ATOM 383 CG1 VAL A 24 9.577 0.306 3.578 1.00 0.00 C ATOM 384 CG2 VAL A 24 7.854 -0.109 1.836 1.00 0.00 C ATOM 0 H VAL A 24 8.113 -2.591 1.226 1.00 0.00 H new ATOM 0 HA VAL A 24 10.445 -1.083 1.417 1.00 0.00 H new ATOM 0 HB VAL A 24 8.256 -1.372 3.501 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.865 0.952 4.091 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.229 -0.169 4.311 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.178 0.901 2.890 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.174 0.541 2.387 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.407 0.481 1.105 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.281 -0.880 1.321 1.00 0.00 H new ATOM 394 N ALA A 25 10.104 -3.509 3.645 1.00 0.00 N ATOM 395 CA ALA A 25 10.800 -4.310 4.645 1.00 0.00 C ATOM 396 C ALA A 25 12.048 -4.957 4.052 1.00 0.00 C ATOM 397 O ALA A 25 13.116 -4.946 4.667 1.00 0.00 O ATOM 398 CB ALA A 25 9.868 -5.373 5.216 1.00 0.00 C ATOM 0 H ALA A 25 9.170 -3.847 3.412 1.00 0.00 H new ATOM 0 HA ALA A 25 11.113 -3.649 5.454 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.402 -5.963 5.961 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.009 -4.891 5.682 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.526 -6.026 4.413 1.00 0.00 H new ATOM 404 N ARG A 26 11.906 -5.513 2.851 1.00 0.00 N ATOM 405 CA ARG A 26 13.029 -6.137 2.155 1.00 0.00 C ATOM 406 C ARG A 26 14.123 -5.113 1.904 1.00 0.00 C ATOM 407 O ARG A 26 15.278 -5.321 2.276 1.00 0.00 O ATOM 408 CB ARG A 26 12.583 -6.739 0.818 1.00 0.00 C ATOM 409 CG ARG A 26 11.414 -7.708 0.928 1.00 0.00 C ATOM 410 CD ARG A 26 11.720 -8.873 1.854 1.00 0.00 C ATOM 411 NE ARG A 26 10.573 -9.770 1.983 1.00 0.00 N ATOM 412 CZ ARG A 26 10.475 -10.740 2.890 1.00 0.00 C ATOM 413 NH1 ARG A 26 11.465 -10.958 3.749 1.00 0.00 N ATOM 414 NH2 ARG A 26 9.386 -11.500 2.933 1.00 0.00 N ATOM 0 H ARG A 26 11.024 -5.544 2.339 1.00 0.00 H new ATOM 0 HA ARG A 26 13.412 -6.937 2.789 1.00 0.00 H new ATOM 0 HB2 ARG A 26 12.307 -5.930 0.142 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.429 -7.257 0.366 1.00 0.00 H new ATOM 0 HG2 ARG A 26 10.536 -7.176 1.294 1.00 0.00 H new ATOM 0 HG3 ARG A 26 11.165 -8.089 -0.063 1.00 0.00 H new ATOM 0 HD2 ARG A 26 12.576 -9.428 1.471 1.00 0.00 H new ATOM 0 HD3 ARG A 26 11.999 -8.494 2.837 1.00 0.00 H new ATOM 0 HE ARG A 26 9.796 -9.644 1.335 1.00 0.00 H new ATOM 0 HH11 ARG A 26 12.305 -10.381 3.716 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.385 -11.702 4.442 1.00 0.00 H new ATOM 0 HH21 ARG A 26 8.626 -11.340 2.272 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.310 -12.243 3.627 1.00 0.00 H new ATOM 428 N LEU A 27 13.741 -3.997 1.294 1.00 0.00 N ATOM 429 CA LEU A 27 14.681 -2.941 0.948 1.00 0.00 C ATOM 430 C LEU A 27 15.346 -2.351 2.183 1.00 0.00 C ATOM 431 O LEU A 27 16.523 -2.005 2.150 1.00 0.00 O ATOM 432 CB LEU A 27 13.979 -1.825 0.184 1.00 0.00 C ATOM 433 CG LEU A 27 13.941 -1.953 -1.346 1.00 0.00 C ATOM 434 CD1 LEU A 27 13.531 -3.350 -1.785 1.00 0.00 C ATOM 435 CD2 LEU A 27 12.984 -0.929 -1.927 1.00 0.00 C ATOM 0 H LEU A 27 12.776 -3.801 1.027 1.00 0.00 H new ATOM 0 HA LEU A 27 15.448 -3.393 0.320 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.953 -1.759 0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.466 -0.883 0.434 1.00 0.00 H new ATOM 0 HG LEU A 27 14.948 -1.768 -1.719 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.516 -3.400 -2.874 1.00 0.00 H new ATOM 0 HD12 LEU A 27 14.245 -4.077 -1.398 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.537 -3.576 -1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.962 -1.026 -3.012 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.984 -1.098 -1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 27 13.317 0.074 -1.659 1.00 0.00 H new ATOM 447 N LYS A 28 14.593 -2.232 3.269 1.00 0.00 N ATOM 448 CA LYS A 28 15.118 -1.668 4.508 1.00 0.00 C ATOM 449 C LYS A 28 16.320 -2.483 4.983 1.00 0.00 C ATOM 450 O LYS A 28 17.336 -1.932 5.419 1.00 0.00 O ATOM 451 CB LYS A 28 14.031 -1.663 5.586 1.00 0.00 C ATOM 452 CG LYS A 28 14.225 -0.626 6.687 1.00 0.00 C ATOM 453 CD LYS A 28 13.752 0.761 6.256 1.00 0.00 C ATOM 454 CE LYS A 28 14.877 1.616 5.688 1.00 0.00 C ATOM 455 NZ LYS A 28 15.867 1.996 6.727 1.00 0.00 N ATOM 0 H LYS A 28 13.615 -2.519 3.318 1.00 0.00 H new ATOM 0 HA LYS A 28 15.435 -0.642 4.322 1.00 0.00 H new ATOM 0 HB2 LYS A 28 13.067 -1.489 5.109 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.987 -2.652 6.042 1.00 0.00 H new ATOM 0 HG2 LYS A 28 13.677 -0.935 7.577 1.00 0.00 H new ATOM 0 HG3 LYS A 28 15.279 -0.581 6.961 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.967 0.656 5.507 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.310 1.272 7.111 1.00 0.00 H new ATOM 0 HE2 LYS A 28 15.380 1.069 4.891 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.457 2.517 5.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.486 2.747 6.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.368 2.341 7.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 16.442 1.167 6.979 1.00 0.00 H new ATOM 469 N LYS A 29 16.203 -3.797 4.854 1.00 0.00 N ATOM 470 CA LYS A 29 17.259 -4.718 5.252 1.00 0.00 C ATOM 471 C LYS A 29 18.385 -4.724 4.214 1.00 0.00 C ATOM 472 O LYS A 29 19.513 -5.129 4.494 1.00 0.00 O ATOM 473 CB LYS A 29 16.676 -6.125 5.405 1.00 0.00 C ATOM 474 CG LYS A 29 17.616 -7.118 6.064 1.00 0.00 C ATOM 475 CD LYS A 29 17.851 -6.774 7.524 1.00 0.00 C ATOM 476 CE LYS A 29 18.739 -7.803 8.203 1.00 0.00 C ATOM 477 NZ LYS A 29 18.192 -9.178 8.069 1.00 0.00 N ATOM 0 H LYS A 29 15.375 -4.254 4.471 1.00 0.00 H new ATOM 0 HA LYS A 29 17.674 -4.392 6.206 1.00 0.00 H new ATOM 0 HB2 LYS A 29 15.759 -6.065 5.992 1.00 0.00 H new ATOM 0 HB3 LYS A 29 16.400 -6.501 4.420 1.00 0.00 H new ATOM 0 HG2 LYS A 29 17.199 -8.122 5.988 1.00 0.00 H new ATOM 0 HG3 LYS A 29 18.568 -7.128 5.533 1.00 0.00 H new ATOM 0 HD2 LYS A 29 18.312 -5.789 7.597 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.895 -6.717 8.044 1.00 0.00 H new ATOM 0 HE2 LYS A 29 19.738 -7.765 7.768 1.00 0.00 H new ATOM 0 HE3 LYS A 29 18.842 -7.554 9.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 18.658 -9.805 8.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 17.168 -9.164 8.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 18.366 -9.529 7.106 1.00 0.00 H new ATOM 491 N LEU A 30 18.068 -4.249 3.019 1.00 0.00 N ATOM 492 CA LEU A 30 19.018 -4.229 1.916 1.00 0.00 C ATOM 493 C LEU A 30 19.816 -2.935 1.926 1.00 0.00 C ATOM 494 O LEU A 30 20.952 -2.888 1.456 1.00 0.00 O ATOM 495 CB LEU A 30 18.296 -4.410 0.585 1.00 0.00 C ATOM 496 CG LEU A 30 17.626 -5.774 0.403 1.00 0.00 C ATOM 497 CD1 LEU A 30 16.712 -5.753 -0.801 1.00 0.00 C ATOM 498 CD2 LEU A 30 18.664 -6.878 0.255 1.00 0.00 C ATOM 0 H LEU A 30 17.151 -3.868 2.787 1.00 0.00 H new ATOM 0 HA LEU A 30 19.713 -5.060 2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 30 17.538 -3.632 0.489 1.00 0.00 H new ATOM 0 HB3 LEU A 30 19.011 -4.260 -0.224 1.00 0.00 H new ATOM 0 HG LEU A 30 17.034 -5.981 1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 30 16.242 -6.730 -0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 30 15.942 -4.995 -0.660 1.00 0.00 H new ATOM 0 HD13 LEU A 30 17.292 -5.520 -1.694 1.00 0.00 H new ATOM 0 HD21 LEU A 30 18.160 -7.836 0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 30 19.288 -6.677 -0.616 1.00 0.00 H new ATOM 0 HD23 LEU A 30 19.288 -6.913 1.148 1.00 0.00 H new ATOM 510 N VAL A 31 19.213 -1.882 2.462 1.00 0.00 N ATOM 511 CA VAL A 31 19.940 -0.654 2.742 1.00 0.00 C ATOM 512 C VAL A 31 20.840 -0.893 3.951 1.00 0.00 C ATOM 513 O VAL A 31 21.863 -0.231 4.139 1.00 0.00 O ATOM 514 CB VAL A 31 18.986 0.538 3.022 1.00 0.00 C ATOM 515 CG1 VAL A 31 19.767 1.815 3.297 1.00 0.00 C ATOM 516 CG2 VAL A 31 18.028 0.750 1.860 1.00 0.00 C ATOM 0 H VAL A 31 18.224 -1.855 2.711 1.00 0.00 H new ATOM 0 HA VAL A 31 20.531 -0.392 1.864 1.00 0.00 H new ATOM 0 HB VAL A 31 18.406 0.293 3.912 1.00 0.00 H new ATOM 0 HG11 VAL A 31 19.072 2.632 3.490 1.00 0.00 H new ATOM 0 HG12 VAL A 31 20.407 1.670 4.168 1.00 0.00 H new ATOM 0 HG13 VAL A 31 20.383 2.059 2.431 1.00 0.00 H new ATOM 0 HG21 VAL A 31 17.370 1.591 2.080 1.00 0.00 H new ATOM 0 HG22 VAL A 31 18.596 0.961 0.954 1.00 0.00 H new ATOM 0 HG23 VAL A 31 17.431 -0.150 1.712 1.00 0.00 H new ATOM 526 N GLY A 32 20.444 -1.875 4.754 1.00 0.00 N ATOM 527 CA GLY A 32 21.235 -2.283 5.893 1.00 0.00 C ATOM 528 C GLY A 32 20.952 -1.444 7.115 1.00 0.00 C ATOM 529 O GLY A 32 21.777 -1.361 8.026 1.00 0.00 O ATOM 0 H GLY A 32 19.578 -2.399 4.631 1.00 0.00 H new ATOM 0 HA2 GLY A 32 21.031 -3.330 6.118 1.00 0.00 H new ATOM 0 HA3 GLY A 32 22.293 -2.211 5.642 1.00 0.00 H new ATOM 533 N GLU A 33 19.784 -0.822 7.138 1.00 0.00 N ATOM 534 CA GLU A 33 19.413 0.056 8.235 1.00 0.00 C ATOM 535 C GLU A 33 18.014 -0.281 8.726 1.00 0.00 C ATOM 536 O GLU A 33 17.042 0.137 8.073 1.00 0.00 O ATOM 537 CB GLU A 33 19.483 1.526 7.807 1.00 0.00 C ATOM 538 CG GLU A 33 20.880 1.986 7.420 1.00 0.00 C ATOM 539 CD GLU A 33 20.941 3.465 7.090 1.00 0.00 C ATOM 540 OE1 GLU A 33 21.305 4.258 7.982 1.00 0.00 O ATOM 541 OE2 GLU A 33 20.623 3.828 5.940 1.00 0.00 O ATOM 542 OXT GLU A 33 17.894 -0.959 9.764 1.00 0.00 O ATOM 0 H GLU A 33 19.076 -0.909 6.409 1.00 0.00 H new ATOM 0 HA GLU A 33 20.122 -0.097 9.049 1.00 0.00 H new ATOM 0 HB2 GLU A 33 18.812 1.681 6.962 1.00 0.00 H new ATOM 0 HB3 GLU A 33 19.118 2.150 8.623 1.00 0.00 H new ATOM 0 HG2 GLU A 33 21.568 1.772 8.238 1.00 0.00 H new ATOM 0 HG3 GLU A 33 21.221 1.412 6.559 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 -24.372 3.996 5.759 1.00 0.00 N ATOM 551 CA GLY B 1 -23.803 4.271 4.420 1.00 0.00 C ATOM 552 C GLY B 1 -23.018 3.094 3.892 1.00 0.00 C ATOM 553 O GLY B 1 -22.761 2.139 4.622 1.00 0.00 O ATOM 0 H1 GLY B 1 -25.410 4.022 5.707 1.00 0.00 H new ATOM 0 H2 GLY B 1 -24.065 3.056 6.080 1.00 0.00 H new ATOM 0 H3 GLY B 1 -24.041 4.717 6.432 1.00 0.00 H new ATOM 0 HA2 GLY B 1 -24.608 4.512 3.726 1.00 0.00 H new ATOM 0 HA3 GLY B 1 -23.155 5.146 4.473 1.00 0.00 H new ATOM 559 N SER B 2 -22.630 3.159 2.629 1.00 0.00 N ATOM 560 CA SER B 2 -21.872 2.088 2.010 1.00 0.00 C ATOM 561 C SER B 2 -20.817 2.648 1.065 1.00 0.00 C ATOM 562 O SER B 2 -19.622 2.486 1.295 1.00 0.00 O ATOM 563 CB SER B 2 -22.812 1.141 1.258 1.00 0.00 C ATOM 564 OG SER B 2 -23.732 1.867 0.452 1.00 0.00 O ATOM 0 H SER B 2 -22.829 3.946 2.012 1.00 0.00 H new ATOM 0 HA SER B 2 -21.363 1.529 2.795 1.00 0.00 H new ATOM 0 HB2 SER B 2 -22.229 0.466 0.632 1.00 0.00 H new ATOM 0 HB3 SER B 2 -23.357 0.523 1.971 1.00 0.00 H new ATOM 0 HG SER B 2 -24.320 1.240 -0.019 1.00 0.00 H new ATOM 570 N MET B 3 -21.276 3.340 0.028 1.00 0.00 N ATOM 571 CA MET B 3 -20.403 3.824 -1.037 1.00 0.00 C ATOM 572 C MET B 3 -19.232 4.638 -0.494 1.00 0.00 C ATOM 573 O MET B 3 -18.078 4.271 -0.689 1.00 0.00 O ATOM 574 CB MET B 3 -21.197 4.659 -2.042 1.00 0.00 C ATOM 575 CG MET B 3 -22.306 3.888 -2.742 1.00 0.00 C ATOM 576 SD MET B 3 -21.705 2.428 -3.619 1.00 0.00 S ATOM 577 CE MET B 3 -20.549 3.166 -4.774 1.00 0.00 C ATOM 0 H MET B 3 -22.259 3.581 -0.099 1.00 0.00 H new ATOM 0 HA MET B 3 -19.993 2.948 -1.539 1.00 0.00 H new ATOM 0 HB2 MET B 3 -21.632 5.514 -1.526 1.00 0.00 H new ATOM 0 HB3 MET B 3 -20.513 5.054 -2.793 1.00 0.00 H new ATOM 0 HG2 MET B 3 -23.049 3.582 -2.006 1.00 0.00 H new ATOM 0 HG3 MET B 3 -22.810 4.548 -3.448 1.00 0.00 H new ATOM 0 HE1 MET B 3 -20.314 2.450 -5.561 1.00 0.00 H new ATOM 0 HE2 MET B 3 -20.995 4.057 -5.216 1.00 0.00 H new ATOM 0 HE3 MET B 3 -19.635 3.440 -4.248 1.00 0.00 H new ATOM 587 N LYS B 4 -19.525 5.716 0.222 1.00 0.00 N ATOM 588 CA LYS B 4 -18.479 6.632 0.674 1.00 0.00 C ATOM 589 C LYS B 4 -17.822 6.144 1.962 1.00 0.00 C ATOM 590 O LYS B 4 -16.780 6.651 2.363 1.00 0.00 O ATOM 591 CB LYS B 4 -19.032 8.049 0.873 1.00 0.00 C ATOM 592 CG LYS B 4 -19.351 8.789 -0.423 1.00 0.00 C ATOM 593 CD LYS B 4 -20.644 8.307 -1.066 1.00 0.00 C ATOM 594 CE LYS B 4 -21.860 8.679 -0.231 1.00 0.00 C ATOM 595 NZ LYS B 4 -23.133 8.282 -0.889 1.00 0.00 N ATOM 0 H LYS B 4 -20.470 5.979 0.502 1.00 0.00 H new ATOM 0 HA LYS B 4 -17.720 6.659 -0.108 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -19.938 7.991 1.476 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -18.307 8.632 1.441 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -19.427 9.857 -0.219 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -18.528 8.656 -1.125 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -20.739 8.741 -2.061 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -20.606 7.225 -1.192 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -21.791 8.197 0.744 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -21.863 9.755 -0.055 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -23.935 8.554 -0.286 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -23.213 8.761 -1.808 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -23.143 7.252 -1.034 1.00 0.00 H new ATOM 609 N GLN B 5 -18.415 5.135 2.580 1.00 0.00 N ATOM 610 CA GLN B 5 -17.913 4.585 3.834 1.00 0.00 C ATOM 611 C GLN B 5 -16.894 3.505 3.539 1.00 0.00 C ATOM 612 O GLN B 5 -15.827 3.446 4.149 1.00 0.00 O ATOM 613 CB GLN B 5 -19.060 4.010 4.668 1.00 0.00 C ATOM 614 CG GLN B 5 -19.897 5.064 5.373 1.00 0.00 C ATOM 615 CD GLN B 5 -19.146 5.742 6.503 1.00 0.00 C ATOM 616 OE1 GLN B 5 -19.174 5.285 7.645 1.00 0.00 O ATOM 617 NE2 GLN B 5 -18.477 6.842 6.200 1.00 0.00 N ATOM 0 H GLN B 5 -19.255 4.674 2.230 1.00 0.00 H new ATOM 0 HA GLN B 5 -17.441 5.384 4.406 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -19.708 3.420 4.019 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -18.649 3.329 5.413 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -20.214 5.815 4.650 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -20.801 4.601 5.768 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -18.477 7.191 5.242 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -17.961 7.341 6.925 1.00 0.00 H new ATOM 626 N LEU B 6 -17.236 2.652 2.593 1.00 0.00 N ATOM 627 CA LEU B 6 -16.306 1.666 2.089 1.00 0.00 C ATOM 628 C LEU B 6 -15.195 2.381 1.344 1.00 0.00 C ATOM 629 O LEU B 6 -14.022 2.054 1.502 1.00 0.00 O ATOM 630 CB LEU B 6 -17.012 0.672 1.163 1.00 0.00 C ATOM 631 CG LEU B 6 -17.706 -0.529 1.828 1.00 0.00 C ATOM 632 CD1 LEU B 6 -16.682 -1.571 2.245 1.00 0.00 C ATOM 633 CD2 LEU B 6 -18.539 -0.098 3.027 1.00 0.00 C ATOM 0 H LEU B 6 -18.158 2.624 2.157 1.00 0.00 H new ATOM 0 HA LEU B 6 -15.890 1.103 2.924 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -17.758 1.218 0.586 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -16.278 0.289 0.454 1.00 0.00 H new ATOM 0 HG LEU B 6 -18.380 -0.970 1.094 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -17.190 -2.414 2.714 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -16.138 -1.918 1.367 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -15.982 -1.130 2.954 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -19.015 -0.972 3.472 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -17.895 0.380 3.765 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -19.305 0.607 2.703 1.00 0.00 H new ATOM 645 N GLU B 7 -15.578 3.384 0.551 1.00 0.00 N ATOM 646 CA GLU B 7 -14.614 4.223 -0.154 1.00 0.00 C ATOM 647 C GLU B 7 -13.678 4.908 0.838 1.00 0.00 C ATOM 648 O GLU B 7 -12.504 5.137 0.532 1.00 0.00 O ATOM 649 CB GLU B 7 -15.332 5.270 -1.005 1.00 0.00 C ATOM 650 CG GLU B 7 -14.404 6.117 -1.857 1.00 0.00 C ATOM 651 CD GLU B 7 -15.157 7.134 -2.691 1.00 0.00 C ATOM 652 OE1 GLU B 7 -15.392 6.865 -3.887 1.00 0.00 O ATOM 653 OE2 GLU B 7 -15.517 8.196 -2.144 1.00 0.00 O ATOM 0 H GLU B 7 -16.553 3.633 0.382 1.00 0.00 H new ATOM 0 HA GLU B 7 -14.024 3.585 -0.812 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -16.047 4.766 -1.656 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -15.905 5.925 -0.349 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -13.693 6.634 -1.212 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -13.825 5.468 -2.514 1.00 0.00 H new ATOM 660 N ASP B 8 -14.197 5.231 2.027 1.00 0.00 N ATOM 661 CA ASP B 8 -13.349 5.783 3.088 1.00 0.00 C ATOM 662 C ASP B 8 -12.200 4.833 3.394 1.00 0.00 C ATOM 663 O ASP B 8 -11.059 5.254 3.563 1.00 0.00 O ATOM 664 CB ASP B 8 -14.137 6.046 4.374 1.00 0.00 C ATOM 665 CG ASP B 8 -14.712 7.447 4.443 1.00 0.00 C ATOM 666 OD1 ASP B 8 -15.913 7.581 4.751 1.00 0.00 O ATOM 667 OD2 ASP B 8 -13.961 8.409 4.192 1.00 0.00 O ATOM 0 H ASP B 8 -15.180 5.123 2.276 1.00 0.00 H new ATOM 0 HA ASP B 8 -12.961 6.734 2.724 1.00 0.00 H new ATOM 0 HB2 ASP B 8 -14.949 5.322 4.450 1.00 0.00 H new ATOM 0 HB3 ASP B 8 -13.485 5.885 5.232 1.00 0.00 H new ATOM 672 N LYS B 9 -12.515 3.546 3.449 1.00 0.00 N ATOM 673 CA LYS B 9 -11.521 2.520 3.738 1.00 0.00 C ATOM 674 C LYS B 9 -10.599 2.296 2.543 1.00 0.00 C ATOM 675 O LYS B 9 -9.394 2.100 2.713 1.00 0.00 O ATOM 676 CB LYS B 9 -12.208 1.208 4.125 1.00 0.00 C ATOM 677 CG LYS B 9 -13.101 1.327 5.349 1.00 0.00 C ATOM 678 CD LYS B 9 -12.305 1.718 6.585 1.00 0.00 C ATOM 679 CE LYS B 9 -13.203 1.896 7.797 1.00 0.00 C ATOM 680 NZ LYS B 9 -13.935 0.648 8.141 1.00 0.00 N ATOM 0 H LYS B 9 -13.457 3.186 3.296 1.00 0.00 H new ATOM 0 HA LYS B 9 -10.915 2.865 4.576 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -12.805 0.858 3.283 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -11.447 0.451 4.313 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -13.876 2.071 5.164 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -13.606 0.377 5.526 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -11.558 0.952 6.794 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -11.765 2.645 6.392 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -12.601 2.209 8.650 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -13.920 2.694 7.602 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -14.387 0.756 9.072 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -14.663 0.463 7.422 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -13.268 -0.149 8.170 1.00 0.00 H new ATOM 694 N VAL B 10 -11.167 2.334 1.337 1.00 0.00 N ATOM 695 CA VAL B 10 -10.387 2.142 0.116 1.00 0.00 C ATOM 696 C VAL B 10 -9.276 3.188 0.029 1.00 0.00 C ATOM 697 O VAL B 10 -8.097 2.851 -0.078 1.00 0.00 O ATOM 698 CB VAL B 10 -11.252 2.250 -1.165 1.00 0.00 C ATOM 699 CG1 VAL B 10 -10.475 1.760 -2.372 1.00 0.00 C ATOM 700 CG2 VAL B 10 -12.551 1.478 -1.049 1.00 0.00 C ATOM 0 H VAL B 10 -12.162 2.496 1.181 1.00 0.00 H new ATOM 0 HA VAL B 10 -9.972 1.136 0.171 1.00 0.00 H new ATOM 0 HB VAL B 10 -11.501 3.304 -1.291 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -11.097 1.843 -3.263 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -9.578 2.366 -2.498 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -10.191 0.718 -2.223 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -13.121 1.585 -1.972 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -12.334 0.424 -0.877 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -13.134 1.869 -0.215 1.00 0.00 H new ATOM 710 N GLU B 11 -9.660 4.458 0.107 1.00 0.00 N ATOM 711 CA GLU B 11 -8.708 5.555 -0.028 1.00 0.00 C ATOM 712 C GLU B 11 -7.786 5.627 1.195 1.00 0.00 C ATOM 713 O GLU B 11 -6.687 6.182 1.132 1.00 0.00 O ATOM 714 CB GLU B 11 -9.451 6.882 -0.214 1.00 0.00 C ATOM 715 CG GLU B 11 -8.538 8.052 -0.545 1.00 0.00 C ATOM 716 CD GLU B 11 -9.288 9.361 -0.701 1.00 0.00 C ATOM 717 OE1 GLU B 11 -9.425 10.088 0.304 1.00 0.00 O ATOM 718 OE2 GLU B 11 -9.736 9.658 -1.828 1.00 0.00 O ATOM 0 H GLU B 11 -10.624 4.753 0.263 1.00 0.00 H new ATOM 0 HA GLU B 11 -8.093 5.370 -0.909 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -10.185 6.769 -1.012 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -10.003 7.110 0.698 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -7.792 8.158 0.243 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -7.999 7.836 -1.467 1.00 0.00 H new ATOM 725 N GLU B 12 -8.229 5.048 2.303 1.00 0.00 N ATOM 726 CA GLU B 12 -7.414 4.986 3.506 1.00 0.00 C ATOM 727 C GLU B 12 -6.260 4.019 3.282 1.00 0.00 C ATOM 728 O GLU B 12 -5.115 4.293 3.653 1.00 0.00 O ATOM 729 CB GLU B 12 -8.264 4.561 4.707 1.00 0.00 C ATOM 730 CG GLU B 12 -7.495 4.495 6.014 1.00 0.00 C ATOM 731 CD GLU B 12 -8.399 4.310 7.214 1.00 0.00 C ATOM 732 OE1 GLU B 12 -8.969 3.211 7.366 1.00 0.00 O ATOM 733 OE2 GLU B 12 -8.536 5.265 8.005 1.00 0.00 O ATOM 0 H GLU B 12 -9.148 4.615 2.392 1.00 0.00 H new ATOM 0 HA GLU B 12 -7.008 5.974 3.722 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -9.092 5.261 4.819 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -8.699 3.583 4.503 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -6.782 3.671 5.971 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -6.917 5.411 6.137 1.00 0.00 H new ATOM 740 N LEU B 13 -6.557 2.896 2.645 1.00 0.00 N ATOM 741 CA LEU B 13 -5.519 1.967 2.232 1.00 0.00 C ATOM 742 C LEU B 13 -4.726 2.556 1.076 1.00 0.00 C ATOM 743 O LEU B 13 -3.558 2.228 0.882 1.00 0.00 O ATOM 744 CB LEU B 13 -6.114 0.619 1.830 1.00 0.00 C ATOM 745 CG LEU B 13 -6.787 -0.157 2.961 1.00 0.00 C ATOM 746 CD1 LEU B 13 -7.220 -1.525 2.473 1.00 0.00 C ATOM 747 CD2 LEU B 13 -5.853 -0.293 4.152 1.00 0.00 C ATOM 0 H LEU B 13 -7.505 2.608 2.404 1.00 0.00 H new ATOM 0 HA LEU B 13 -4.852 1.802 3.078 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -6.845 0.784 1.039 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -5.321 0.001 1.408 1.00 0.00 H new ATOM 0 HG LEU B 13 -7.669 0.398 3.280 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -7.698 -2.068 3.288 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -7.926 -1.411 1.650 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -6.348 -2.081 2.129 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -6.353 -0.849 4.945 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -4.952 -0.825 3.849 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -5.583 0.698 4.518 1.00 0.00 H new ATOM 759 N LEU B 14 -5.374 3.430 0.312 1.00 0.00 N ATOM 760 CA LEU B 14 -4.721 4.156 -0.772 1.00 0.00 C ATOM 761 C LEU B 14 -3.666 5.102 -0.202 1.00 0.00 C ATOM 762 O LEU B 14 -2.688 5.441 -0.863 1.00 0.00 O ATOM 763 CB LEU B 14 -5.754 4.959 -1.562 1.00 0.00 C ATOM 764 CG LEU B 14 -5.284 5.482 -2.922 1.00 0.00 C ATOM 765 CD1 LEU B 14 -5.115 4.339 -3.907 1.00 0.00 C ATOM 766 CD2 LEU B 14 -6.265 6.511 -3.462 1.00 0.00 C ATOM 0 H LEU B 14 -6.362 3.654 0.426 1.00 0.00 H new ATOM 0 HA LEU B 14 -4.241 3.438 -1.437 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -6.633 4.334 -1.717 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -6.070 5.808 -0.955 1.00 0.00 H new ATOM 0 HG LEU B 14 -4.315 5.963 -2.789 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -4.781 4.732 -4.867 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -4.375 3.636 -3.525 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -6.068 3.827 -4.037 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -5.917 6.873 -4.429 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -7.247 6.052 -3.578 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -6.336 7.347 -2.766 1.00 0.00 H new ATOM 778 N SER B 15 -3.884 5.517 1.037 1.00 0.00 N ATOM 779 CA SER B 15 -2.968 6.403 1.731 1.00 0.00 C ATOM 780 C SER B 15 -1.691 5.655 2.087 1.00 0.00 C ATOM 781 O SER B 15 -0.587 6.167 1.896 1.00 0.00 O ATOM 782 CB SER B 15 -3.624 6.968 2.991 1.00 0.00 C ATOM 783 OG SER B 15 -4.865 7.588 2.685 1.00 0.00 O ATOM 0 H SER B 15 -4.700 5.248 1.587 1.00 0.00 H new ATOM 0 HA SER B 15 -2.717 7.235 1.073 1.00 0.00 H new ATOM 0 HB2 SER B 15 -3.782 6.167 3.713 1.00 0.00 H new ATOM 0 HB3 SER B 15 -2.957 7.692 3.459 1.00 0.00 H new ATOM 0 HG SER B 15 -5.454 6.941 2.244 1.00 0.00 H new ATOM 789 N LYS B 16 -1.838 4.434 2.596 1.00 0.00 N ATOM 790 CA LYS B 16 -0.675 3.594 2.829 1.00 0.00 C ATOM 791 C LYS B 16 -0.065 3.182 1.501 1.00 0.00 C ATOM 792 O LYS B 16 1.149 3.122 1.382 1.00 0.00 O ATOM 793 CB LYS B 16 -0.991 2.359 3.678 1.00 0.00 C ATOM 794 CG LYS B 16 -1.188 2.663 5.156 1.00 0.00 C ATOM 795 CD LYS B 16 -0.910 1.444 6.032 1.00 0.00 C ATOM 796 CE LYS B 16 -1.923 0.325 5.826 1.00 0.00 C ATOM 797 NZ LYS B 16 -3.278 0.701 6.309 1.00 0.00 N ATOM 0 H LYS B 16 -2.733 4.014 2.849 1.00 0.00 H new ATOM 0 HA LYS B 16 0.041 4.186 3.398 1.00 0.00 H new ATOM 0 HB2 LYS B 16 -1.893 1.885 3.291 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -0.180 1.638 3.570 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -0.527 3.479 5.450 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -2.210 3.004 5.323 1.00 0.00 H new ATOM 0 HD2 LYS B 16 0.090 1.067 5.816 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -0.917 1.746 7.079 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -1.973 0.073 4.767 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -1.587 -0.569 6.351 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -3.897 -0.135 6.291 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -3.212 1.062 7.282 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -3.674 1.438 5.692 1.00 0.00 H new ATOM 811 N ASN B 17 -0.908 2.927 0.499 1.00 0.00 N ATOM 812 CA ASN B 17 -0.423 2.656 -0.854 1.00 0.00 C ATOM 813 C ASN B 17 0.511 3.762 -1.294 1.00 0.00 C ATOM 814 O ASN B 17 1.598 3.501 -1.801 1.00 0.00 O ATOM 815 CB ASN B 17 -1.575 2.553 -1.856 1.00 0.00 C ATOM 816 CG ASN B 17 -2.021 1.129 -2.103 1.00 0.00 C ATOM 817 OD1 ASN B 17 -1.500 0.446 -2.976 1.00 0.00 O ATOM 818 ND2 ASN B 17 -3.003 0.676 -1.347 1.00 0.00 N ATOM 0 H ASN B 17 -1.923 2.903 0.598 1.00 0.00 H new ATOM 0 HA ASN B 17 0.102 1.701 -0.831 1.00 0.00 H new ATOM 0 HB2 ASN B 17 -2.421 3.134 -1.489 1.00 0.00 H new ATOM 0 HB3 ASN B 17 -1.268 3.000 -2.801 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -3.353 -0.273 -1.480 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -3.412 1.275 -0.630 1.00 0.00 H new ATOM 825 N TYR B 18 0.092 5.003 -1.074 1.00 0.00 N ATOM 826 CA TYR B 18 0.920 6.146 -1.428 1.00 0.00 C ATOM 827 C TYR B 18 2.232 6.127 -0.644 1.00 0.00 C ATOM 828 O TYR B 18 3.312 6.260 -1.218 1.00 0.00 O ATOM 829 CB TYR B 18 0.174 7.457 -1.173 1.00 0.00 C ATOM 830 CG TYR B 18 1.000 8.687 -1.480 1.00 0.00 C ATOM 831 CD1 TYR B 18 1.216 9.094 -2.791 1.00 0.00 C ATOM 832 CD2 TYR B 18 1.575 9.433 -0.458 1.00 0.00 C ATOM 833 CE1 TYR B 18 1.982 10.208 -3.074 1.00 0.00 C ATOM 834 CE2 TYR B 18 2.338 10.549 -0.734 1.00 0.00 C ATOM 835 CZ TYR B 18 2.541 10.932 -2.042 1.00 0.00 C ATOM 836 OH TYR B 18 3.308 12.041 -2.318 1.00 0.00 O ATOM 0 H TYR B 18 -0.808 5.241 -0.656 1.00 0.00 H new ATOM 0 HA TYR B 18 1.149 6.078 -2.492 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -0.731 7.475 -1.780 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -0.141 7.491 -0.130 1.00 0.00 H new ATOM 0 HD1 TYR B 18 0.778 8.530 -3.601 1.00 0.00 H new ATOM 0 HD2 TYR B 18 1.422 9.134 0.569 1.00 0.00 H new ATOM 0 HE1 TYR B 18 2.142 10.510 -4.098 1.00 0.00 H new ATOM 0 HE2 TYR B 18 2.774 11.120 0.072 1.00 0.00 H new ATOM 0 HH TYR B 18 3.625 12.436 -1.479 1.00 0.00 H new ATOM 846 N HIS B 19 2.132 5.934 0.666 1.00 0.00 N ATOM 847 CA HIS B 19 3.300 5.983 1.542 1.00 0.00 C ATOM 848 C HIS B 19 4.266 4.833 1.272 1.00 0.00 C ATOM 849 O HIS B 19 5.454 5.060 1.069 1.00 0.00 O ATOM 850 CB HIS B 19 2.874 5.979 3.010 1.00 0.00 C ATOM 851 CG HIS B 19 2.291 7.282 3.461 1.00 0.00 C ATOM 852 ND1 HIS B 19 1.048 7.395 4.049 1.00 0.00 N ATOM 853 CD2 HIS B 19 2.800 8.534 3.422 1.00 0.00 C ATOM 854 CE1 HIS B 19 0.820 8.660 4.347 1.00 0.00 C ATOM 855 NE2 HIS B 19 1.867 9.370 3.979 1.00 0.00 N ATOM 0 H HIS B 19 1.253 5.742 1.147 1.00 0.00 H new ATOM 0 HA HIS B 19 3.825 6.914 1.325 1.00 0.00 H new ATOM 0 HB2 HIS B 19 2.141 5.188 3.166 1.00 0.00 H new ATOM 0 HB3 HIS B 19 3.738 5.741 3.631 1.00 0.00 H new ATOM 0 HD2 HIS B 19 3.763 8.822 3.026 1.00 0.00 H new ATOM 0 HE1 HIS B 19 -0.074 9.048 4.814 1.00 0.00 H new ATOM 0 HE2 HIS B 19 1.967 10.379 4.091 1.00 0.00 H new ATOM 864 N LEU B 20 3.751 3.610 1.264 1.00 0.00 N ATOM 865 CA LEU B 20 4.572 2.420 1.042 1.00 0.00 C ATOM 866 C LEU B 20 5.284 2.521 -0.287 1.00 0.00 C ATOM 867 O LEU B 20 6.500 2.387 -0.369 1.00 0.00 O ATOM 868 CB LEU B 20 3.711 1.156 1.023 1.00 0.00 C ATOM 869 CG LEU B 20 2.807 0.950 2.222 1.00 0.00 C ATOM 870 CD1 LEU B 20 2.119 -0.398 2.153 1.00 0.00 C ATOM 871 CD2 LEU B 20 3.570 1.109 3.529 1.00 0.00 C ATOM 0 H LEU B 20 2.761 3.413 1.410 1.00 0.00 H new ATOM 0 HA LEU B 20 5.292 2.360 1.858 1.00 0.00 H new ATOM 0 HB2 LEU B 20 3.093 1.175 0.126 1.00 0.00 H new ATOM 0 HB3 LEU B 20 4.370 0.292 0.937 1.00 0.00 H new ATOM 0 HG LEU B 20 2.040 1.724 2.195 1.00 0.00 H new ATOM 0 HD11 LEU B 20 1.476 -0.523 3.024 1.00 0.00 H new ATOM 0 HD12 LEU B 20 1.517 -0.453 1.246 1.00 0.00 H new ATOM 0 HD13 LEU B 20 2.869 -1.189 2.139 1.00 0.00 H new ATOM 0 HD21 LEU B 20 2.891 0.955 4.368 1.00 0.00 H new ATOM 0 HD22 LEU B 20 4.374 0.374 3.573 1.00 0.00 H new ATOM 0 HD23 LEU B 20 3.992 2.112 3.584 1.00 0.00 H new ATOM 883 N GLU B 21 4.497 2.773 -1.320 1.00 0.00 N ATOM 884 CA GLU B 21 5.010 2.846 -2.684 1.00 0.00 C ATOM 885 C GLU B 21 6.104 3.906 -2.789 1.00 0.00 C ATOM 886 O GLU B 21 7.109 3.711 -3.478 1.00 0.00 O ATOM 887 CB GLU B 21 3.874 3.156 -3.659 1.00 0.00 C ATOM 888 CG GLU B 21 4.049 2.517 -5.025 1.00 0.00 C ATOM 889 CD GLU B 21 2.885 2.802 -5.949 1.00 0.00 C ATOM 890 OE1 GLU B 21 2.954 3.790 -6.704 1.00 0.00 O ATOM 891 OE2 GLU B 21 1.902 2.035 -5.913 1.00 0.00 O ATOM 0 H GLU B 21 3.493 2.932 -1.242 1.00 0.00 H new ATOM 0 HA GLU B 21 5.442 1.880 -2.945 1.00 0.00 H new ATOM 0 HB2 GLU B 21 2.933 2.816 -3.227 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.796 4.236 -3.781 1.00 0.00 H new ATOM 0 HG2 GLU B 21 4.969 2.885 -5.480 1.00 0.00 H new ATOM 0 HG3 GLU B 21 4.160 1.439 -4.907 1.00 0.00 H new ATOM 898 N ASN B 22 5.907 5.020 -2.092 1.00 0.00 N ATOM 899 CA ASN B 22 6.917 6.070 -2.027 1.00 0.00 C ATOM 900 C ASN B 22 8.137 5.598 -1.247 1.00 0.00 C ATOM 901 O ASN B 22 9.272 5.851 -1.649 1.00 0.00 O ATOM 902 CB ASN B 22 6.353 7.340 -1.385 1.00 0.00 C ATOM 903 CG ASN B 22 5.593 8.216 -2.364 1.00 0.00 C ATOM 904 OD1 ASN B 22 5.010 7.735 -3.340 1.00 0.00 O ATOM 905 ND2 ASN B 22 5.603 9.516 -2.112 1.00 0.00 N ATOM 0 H ASN B 22 5.057 5.219 -1.564 1.00 0.00 H new ATOM 0 HA ASN B 22 7.217 6.301 -3.049 1.00 0.00 H new ATOM 0 HB2 ASN B 22 5.690 7.062 -0.566 1.00 0.00 H new ATOM 0 HB3 ASN B 22 7.171 7.915 -0.952 1.00 0.00 H new ATOM 0 HD21 ASN B 22 5.117 10.160 -2.736 1.00 0.00 H new ATOM 0 HD22 ASN B 22 6.097 9.873 -1.294 1.00 0.00 H new ATOM 912 N GLU B 23 7.902 4.898 -0.138 1.00 0.00 N ATOM 913 CA GLU B 23 8.995 4.388 0.686 1.00 0.00 C ATOM 914 C GLU B 23 9.851 3.401 -0.100 1.00 0.00 C ATOM 915 O GLU B 23 11.078 3.435 -0.016 1.00 0.00 O ATOM 916 CB GLU B 23 8.463 3.725 1.960 1.00 0.00 C ATOM 917 CG GLU B 23 7.825 4.699 2.941 1.00 0.00 C ATOM 918 CD GLU B 23 8.794 5.760 3.428 1.00 0.00 C ATOM 919 OE1 GLU B 23 8.946 6.789 2.736 1.00 0.00 O ATOM 920 OE2 GLU B 23 9.398 5.565 4.503 1.00 0.00 O ATOM 0 H GLU B 23 6.970 4.672 0.209 1.00 0.00 H new ATOM 0 HA GLU B 23 9.615 5.237 0.974 1.00 0.00 H new ATOM 0 HB2 GLU B 23 7.728 2.968 1.685 1.00 0.00 H new ATOM 0 HB3 GLU B 23 9.283 3.207 2.458 1.00 0.00 H new ATOM 0 HG2 GLU B 23 6.973 5.183 2.464 1.00 0.00 H new ATOM 0 HG3 GLU B 23 7.439 4.145 3.797 1.00 0.00 H new ATOM 927 N VAL B 24 9.199 2.538 -0.873 1.00 0.00 N ATOM 928 CA VAL B 24 9.909 1.579 -1.711 1.00 0.00 C ATOM 929 C VAL B 24 10.801 2.315 -2.709 1.00 0.00 C ATOM 930 O VAL B 24 11.940 1.921 -2.954 1.00 0.00 O ATOM 931 CB VAL B 24 8.944 0.654 -2.494 1.00 0.00 C ATOM 932 CG1 VAL B 24 9.717 -0.416 -3.245 1.00 0.00 C ATOM 933 CG2 VAL B 24 7.929 0.007 -1.571 1.00 0.00 C ATOM 0 H VAL B 24 8.182 2.483 -0.936 1.00 0.00 H new ATOM 0 HA VAL B 24 10.509 0.960 -1.044 1.00 0.00 H new ATOM 0 HB VAL B 24 8.407 1.273 -3.213 1.00 0.00 H new ATOM 0 HG11 VAL B 24 9.020 -1.055 -3.788 1.00 0.00 H new ATOM 0 HG12 VAL B 24 10.401 0.057 -3.950 1.00 0.00 H new ATOM 0 HG13 VAL B 24 10.285 -1.019 -2.537 1.00 0.00 H new ATOM 0 HG21 VAL B 24 7.267 -0.636 -2.151 1.00 0.00 H new ATOM 0 HG22 VAL B 24 8.448 -0.590 -0.821 1.00 0.00 H new ATOM 0 HG23 VAL B 24 7.342 0.781 -1.077 1.00 0.00 H new ATOM 943 N ALA B 25 10.275 3.401 -3.270 1.00 0.00 N ATOM 944 CA ALA B 25 11.018 4.203 -4.235 1.00 0.00 C ATOM 945 C ALA B 25 12.245 4.835 -3.588 1.00 0.00 C ATOM 946 O ALA B 25 13.336 4.813 -4.158 1.00 0.00 O ATOM 947 CB ALA B 25 10.118 5.275 -4.839 1.00 0.00 C ATOM 0 H ALA B 25 9.336 3.745 -3.072 1.00 0.00 H new ATOM 0 HA ALA B 25 11.360 3.545 -5.034 1.00 0.00 H new ATOM 0 HB1 ALA B 25 10.687 5.865 -5.557 1.00 0.00 H new ATOM 0 HB2 ALA B 25 9.276 4.801 -5.344 1.00 0.00 H new ATOM 0 HB3 ALA B 25 9.746 5.926 -4.048 1.00 0.00 H new ATOM 953 N ARG B 26 12.062 5.389 -2.394 1.00 0.00 N ATOM 954 CA ARG B 26 13.163 5.998 -1.654 1.00 0.00 C ATOM 955 C ARG B 26 14.237 4.960 -1.368 1.00 0.00 C ATOM 956 O ARG B 26 15.405 5.147 -1.705 1.00 0.00 O ATOM 957 CB ARG B 26 12.666 6.598 -0.334 1.00 0.00 C ATOM 958 CG ARG B 26 11.509 7.573 -0.487 1.00 0.00 C ATOM 959 CD ARG B 26 11.858 8.741 -1.396 1.00 0.00 C ATOM 960 NE ARG B 26 10.721 9.644 -1.569 1.00 0.00 N ATOM 961 CZ ARG B 26 10.667 10.618 -2.474 1.00 0.00 C ATOM 962 NH1 ARG B 26 11.695 10.835 -3.289 1.00 0.00 N ATOM 963 NH2 ARG B 26 9.583 11.377 -2.560 1.00 0.00 N ATOM 0 H ARG B 26 11.161 5.429 -1.917 1.00 0.00 H new ATOM 0 HA ARG B 26 13.583 6.797 -2.265 1.00 0.00 H new ATOM 0 HB2 ARG B 26 12.358 5.788 0.327 1.00 0.00 H new ATOM 0 HB3 ARG B 26 13.495 7.110 0.154 1.00 0.00 H new ATOM 0 HG2 ARG B 26 10.644 7.047 -0.890 1.00 0.00 H new ATOM 0 HG3 ARG B 26 11.223 7.951 0.494 1.00 0.00 H new ATOM 0 HD2 ARG B 26 12.700 9.291 -0.976 1.00 0.00 H new ATOM 0 HD3 ARG B 26 12.176 8.364 -2.368 1.00 0.00 H new ATOM 0 HE ARG B 26 9.916 9.519 -0.955 1.00 0.00 H new ATOM 0 HH11 ARG B 26 12.530 10.253 -3.222 1.00 0.00 H new ATOM 0 HH12 ARG B 26 11.648 11.583 -3.981 1.00 0.00 H new ATOM 0 HH21 ARG B 26 8.795 11.213 -1.934 1.00 0.00 H new ATOM 0 HH22 ARG B 26 9.538 12.125 -3.252 1.00 0.00 H new ATOM 977 N LEU B 27 13.818 3.847 -0.776 1.00 0.00 N ATOM 978 CA LEU B 27 14.734 2.780 -0.395 1.00 0.00 C ATOM 979 C LEU B 27 15.445 2.189 -1.604 1.00 0.00 C ATOM 980 O LEU B 27 16.616 1.831 -1.523 1.00 0.00 O ATOM 981 CB LEU B 27 13.991 1.668 0.335 1.00 0.00 C ATOM 982 CG LEU B 27 13.892 1.794 1.861 1.00 0.00 C ATOM 983 CD1 LEU B 27 13.476 3.193 2.289 1.00 0.00 C ATOM 984 CD2 LEU B 27 12.908 0.776 2.398 1.00 0.00 C ATOM 0 H LEU B 27 12.841 3.660 -0.548 1.00 0.00 H new ATOM 0 HA LEU B 27 15.479 3.223 0.267 1.00 0.00 H new ATOM 0 HB2 LEU B 27 12.980 1.612 -0.068 1.00 0.00 H new ATOM 0 HB3 LEU B 27 14.480 0.722 0.102 1.00 0.00 H new ATOM 0 HG LEU B 27 14.882 1.603 2.274 1.00 0.00 H new ATOM 0 HD11 LEU B 27 13.418 3.239 3.376 1.00 0.00 H new ATOM 0 HD12 LEU B 27 14.211 3.916 1.934 1.00 0.00 H new ATOM 0 HD13 LEU B 27 12.501 3.429 1.863 1.00 0.00 H new ATOM 0 HD21 LEU B 27 12.842 0.870 3.482 1.00 0.00 H new ATOM 0 HD22 LEU B 27 11.926 0.952 1.958 1.00 0.00 H new ATOM 0 HD23 LEU B 27 13.246 -0.228 2.141 1.00 0.00 H new ATOM 996 N LYS B 28 14.737 2.084 -2.721 1.00 0.00 N ATOM 997 CA LYS B 28 15.308 1.519 -3.939 1.00 0.00 C ATOM 998 C LYS B 28 16.535 2.326 -4.361 1.00 0.00 C ATOM 999 O LYS B 28 17.563 1.769 -4.757 1.00 0.00 O ATOM 1000 CB LYS B 28 14.264 1.527 -5.059 1.00 0.00 C ATOM 1001 CG LYS B 28 14.496 0.494 -6.156 1.00 0.00 C ATOM 1002 CD LYS B 28 13.996 -0.892 -5.751 1.00 0.00 C ATOM 1003 CE LYS B 28 15.091 -1.760 -5.141 1.00 0.00 C ATOM 1004 NZ LYS B 28 16.118 -2.147 -6.142 1.00 0.00 N ATOM 0 H LYS B 28 13.766 2.383 -2.810 1.00 0.00 H new ATOM 0 HA LYS B 28 15.610 0.490 -3.746 1.00 0.00 H new ATOM 0 HB2 LYS B 28 13.280 1.357 -4.621 1.00 0.00 H new ATOM 0 HB3 LYS B 28 14.244 2.519 -5.511 1.00 0.00 H new ATOM 0 HG2 LYS B 28 13.987 0.811 -7.066 1.00 0.00 H new ATOM 0 HG3 LYS B 28 15.560 0.443 -6.387 1.00 0.00 H new ATOM 0 HD2 LYS B 28 13.182 -0.784 -5.034 1.00 0.00 H new ATOM 0 HD3 LYS B 28 13.585 -1.395 -6.626 1.00 0.00 H new ATOM 0 HE2 LYS B 28 15.568 -1.220 -4.323 1.00 0.00 H new ATOM 0 HE3 LYS B 28 14.645 -2.658 -4.713 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 16.704 -2.916 -5.759 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 15.650 -2.470 -7.013 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 16.720 -1.327 -6.356 1.00 0.00 H new ATOM 1018 N LYS B 29 16.425 3.642 -4.228 1.00 0.00 N ATOM 1019 CA LYS B 29 17.502 4.555 -4.584 1.00 0.00 C ATOM 1020 C LYS B 29 18.584 4.552 -3.502 1.00 0.00 C ATOM 1021 O LYS B 29 19.725 4.962 -3.734 1.00 0.00 O ATOM 1022 CB LYS B 29 16.937 5.969 -4.755 1.00 0.00 C ATOM 1023 CG LYS B 29 17.909 6.956 -5.374 1.00 0.00 C ATOM 1024 CD LYS B 29 18.198 6.617 -6.826 1.00 0.00 C ATOM 1025 CE LYS B 29 19.119 7.643 -7.462 1.00 0.00 C ATOM 1026 NZ LYS B 29 18.579 9.024 -7.342 1.00 0.00 N ATOM 0 H LYS B 29 15.589 4.105 -3.871 1.00 0.00 H new ATOM 0 HA LYS B 29 17.950 4.227 -5.522 1.00 0.00 H new ATOM 0 HB2 LYS B 29 16.043 5.918 -5.376 1.00 0.00 H new ATOM 0 HB3 LYS B 29 16.627 6.345 -3.780 1.00 0.00 H new ATOM 0 HG2 LYS B 29 17.497 7.963 -5.310 1.00 0.00 H new ATOM 0 HG3 LYS B 29 18.840 6.956 -4.807 1.00 0.00 H new ATOM 0 HD2 LYS B 29 18.655 5.629 -6.887 1.00 0.00 H new ATOM 0 HD3 LYS B 29 17.262 6.571 -7.383 1.00 0.00 H new ATOM 0 HE2 LYS B 29 20.099 7.594 -6.988 1.00 0.00 H new ATOM 0 HE3 LYS B 29 19.262 7.399 -8.515 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 19.066 9.647 -8.018 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 17.560 9.018 -7.549 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 18.733 9.374 -6.375 1.00 0.00 H new ATOM 1040 N LEU B 30 18.217 4.074 -2.323 1.00 0.00 N ATOM 1041 CA LEU B 30 19.122 4.043 -1.181 1.00 0.00 C ATOM 1042 C LEU B 30 19.912 2.743 -1.168 1.00 0.00 C ATOM 1043 O LEU B 30 21.033 2.689 -0.662 1.00 0.00 O ATOM 1044 CB LEU B 30 18.344 4.224 0.118 1.00 0.00 C ATOM 1045 CG LEU B 30 17.678 5.593 0.280 1.00 0.00 C ATOM 1046 CD1 LEU B 30 16.715 5.577 1.446 1.00 0.00 C ATOM 1047 CD2 LEU B 30 18.715 6.688 0.478 1.00 0.00 C ATOM 0 H LEU B 30 17.289 3.698 -2.130 1.00 0.00 H new ATOM 0 HA LEU B 30 19.829 4.868 -1.270 1.00 0.00 H new ATOM 0 HB2 LEU B 30 17.576 3.453 0.176 1.00 0.00 H new ATOM 0 HB3 LEU B 30 19.021 4.063 0.957 1.00 0.00 H new ATOM 0 HG LEU B 30 17.126 5.806 -0.635 1.00 0.00 H new ATOM 0 HD11 LEU B 30 16.250 6.558 1.547 1.00 0.00 H new ATOM 0 HD12 LEU B 30 15.944 4.826 1.271 1.00 0.00 H new ATOM 0 HD13 LEU B 30 17.256 5.335 2.361 1.00 0.00 H new ATOM 0 HD21 LEU B 30 18.213 7.649 0.590 1.00 0.00 H new ATOM 0 HD22 LEU B 30 19.300 6.478 1.373 1.00 0.00 H new ATOM 0 HD23 LEU B 30 19.377 6.723 -0.388 1.00 0.00 H new ATOM 1059 N VAL B 31 19.320 1.696 -1.729 1.00 0.00 N ATOM 1060 CA VAL B 31 20.046 0.461 -1.984 1.00 0.00 C ATOM 1061 C VAL B 31 20.995 0.697 -3.154 1.00 0.00 C ATOM 1062 O VAL B 31 22.020 0.028 -3.302 1.00 0.00 O ATOM 1063 CB VAL B 31 19.093 -0.719 -2.307 1.00 0.00 C ATOM 1064 CG1 VAL B 31 19.874 -2.002 -2.554 1.00 0.00 C ATOM 1065 CG2 VAL B 31 18.089 -0.928 -1.185 1.00 0.00 C ATOM 0 H VAL B 31 18.341 1.678 -2.015 1.00 0.00 H new ATOM 0 HA VAL B 31 20.598 0.188 -1.085 1.00 0.00 H new ATOM 0 HB VAL B 31 18.551 -0.464 -3.217 1.00 0.00 H new ATOM 0 HG11 VAL B 31 19.181 -2.813 -2.778 1.00 0.00 H new ATOM 0 HG12 VAL B 31 20.550 -1.860 -3.397 1.00 0.00 H new ATOM 0 HG13 VAL B 31 20.451 -2.254 -1.664 1.00 0.00 H new ATOM 0 HG21 VAL B 31 17.432 -1.761 -1.435 1.00 0.00 H new ATOM 0 HG22 VAL B 31 18.619 -1.150 -0.259 1.00 0.00 H new ATOM 0 HG23 VAL B 31 17.495 -0.023 -1.055 1.00 0.00 H new ATOM 1075 N GLY B 32 20.641 1.684 -3.968 1.00 0.00 N ATOM 1076 CA GLY B 32 21.482 2.090 -5.070 1.00 0.00 C ATOM 1077 C GLY B 32 21.245 1.255 -6.305 1.00 0.00 C ATOM 1078 O GLY B 32 22.108 1.168 -7.179 1.00 0.00 O ATOM 0 H GLY B 32 19.774 2.214 -3.879 1.00 0.00 H new ATOM 0 HA2 GLY B 32 21.295 3.139 -5.301 1.00 0.00 H new ATOM 0 HA3 GLY B 32 22.528 2.011 -4.775 1.00 0.00 H new ATOM 1082 N GLU B 33 20.071 0.647 -6.382 1.00 0.00 N ATOM 1083 CA GLU B 33 19.740 -0.223 -7.498 1.00 0.00 C ATOM 1084 C GLU B 33 18.370 0.129 -8.047 1.00 0.00 C ATOM 1085 O GLU B 33 17.367 -0.287 -7.438 1.00 0.00 O ATOM 1086 CB GLU B 33 19.777 -1.693 -7.075 1.00 0.00 C ATOM 1087 CG GLU B 33 21.152 -2.165 -6.632 1.00 0.00 C ATOM 1088 CD GLU B 33 21.186 -3.644 -6.310 1.00 0.00 C ATOM 1089 OE1 GLU B 33 21.576 -4.433 -7.195 1.00 0.00 O ATOM 1090 OE2 GLU B 33 20.821 -4.012 -5.176 1.00 0.00 O ATOM 1091 OXT GLU B 33 18.303 0.822 -9.082 1.00 0.00 O ATOM 0 H GLU B 33 19.332 0.741 -5.685 1.00 0.00 H new ATOM 0 HA GLU B 33 20.485 -0.074 -8.279 1.00 0.00 H new ATOM 0 HB2 GLU B 33 19.070 -1.846 -6.260 1.00 0.00 H new ATOM 0 HB3 GLU B 33 19.441 -2.311 -7.908 1.00 0.00 H new ATOM 0 HG2 GLU B 33 21.876 -1.952 -7.419 1.00 0.00 H new ATOM 0 HG3 GLU B 33 21.460 -1.599 -5.753 1.00 0.00 H new TER 1098 GLU B 33