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: A 17 ASN : amide:sc= -3.7 K(o=-7.5,f=-14!) USER MOD Set 1.2: B 17 ASN : amide:sc= -3.76 K(o=-7.5,f=-14!) USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.103 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -163:sc= -0.0908 (180deg=-0.817) USER MOD Single : A 4 LYS NZ :NH3+ -169:sc=-0.00812 (180deg=-0.108) USER MOD Single : A 5 GLN : amide:sc= -2.17 K(o=-2.2,f=-0.39) USER MOD Single : A 9 LYS NZ :NH3+ 168:sc= -0.0228 (180deg=-0.187) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.325 X(o=-0.33,f=0.068) USER MOD Single : A 22 ASN : amide:sc= -0.0022 K(o=-0.0022,f=0.71) USER MOD Single : A 28 LYS NZ :NH3+ -178:sc= 0.822 (180deg=0.773) USER MOD Single : A 29 LYS NZ :NH3+ -163:sc= -0.0563 (180deg=-0.362) USER MOD Single : B 1 GLY N :NH3+ -119:sc= 0.11 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 3 MET CE :methyl -163:sc= -0.137 (180deg=-0.822) USER MOD Single : B 4 LYS NZ :NH3+ -168:sc= -0.0142 (180deg=-0.157) USER MOD Single : B 5 GLN : amide:sc= -2.1 K(o=-2.1,f=-0.38) USER MOD Single : B 9 LYS NZ :NH3+ 167:sc= -0.016 (180deg=-0.169) USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS : no HD1:sc= -0.319 X(o=-0.32,f=0.066) USER MOD Single : B 22 ASN : amide:sc= -0.0141 K(o=-0.014,f=0.8) USER MOD Single : B 28 LYS NZ :NH3+ 179:sc= 0.744 (180deg=0.688) USER MOD Single : B 29 LYS NZ :NH3+ -163:sc= -0.0592 (180deg=-0.373) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.685 -4.203 -7.117 1.00 0.00 N ATOM 2 CA GLY A 1 -24.302 -4.260 -5.686 1.00 0.00 C ATOM 3 C GLY A 1 -23.216 -3.262 -5.357 1.00 0.00 C ATOM 4 O GLY A 1 -22.618 -2.671 -6.258 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.690 -3.946 -7.198 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.105 -3.490 -7.603 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.529 -5.133 -7.555 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.177 -4.062 -5.067 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.959 -5.265 -5.441 1.00 0.00 H new ATOM 10 N SER A 2 -22.948 -3.074 -4.075 1.00 0.00 N ATOM 11 CA SER A 2 -21.929 -2.132 -3.647 1.00 0.00 C ATOM 12 C SER A 2 -20.908 -2.795 -2.733 1.00 0.00 C ATOM 13 O SER A 2 -19.716 -2.814 -3.039 1.00 0.00 O ATOM 14 CB SER A 2 -22.580 -0.944 -2.935 1.00 0.00 C ATOM 15 OG SER A 2 -23.551 -1.381 -1.996 1.00 0.00 O ATOM 0 H SER A 2 -23.422 -3.561 -3.314 1.00 0.00 H new ATOM 0 HA SER A 2 -21.404 -1.778 -4.534 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.815 -0.358 -2.426 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.048 -0.288 -3.669 1.00 0.00 H new ATOM 0 HG SER A 2 -23.951 -0.604 -1.553 1.00 0.00 H new ATOM 21 N MET A 3 -21.398 -3.372 -1.640 1.00 0.00 N ATOM 22 CA MET A 3 -20.550 -3.892 -0.566 1.00 0.00 C ATOM 23 C MET A 3 -19.394 -4.749 -1.077 1.00 0.00 C ATOM 24 O MET A 3 -18.238 -4.436 -0.824 1.00 0.00 O ATOM 25 CB MET A 3 -21.386 -4.698 0.429 1.00 0.00 C ATOM 26 CG MET A 3 -22.450 -3.879 1.144 1.00 0.00 C ATOM 27 SD MET A 3 -21.763 -2.510 2.099 1.00 0.00 S ATOM 28 CE MET A 3 -20.714 -3.389 3.255 1.00 0.00 C ATOM 0 H MET A 3 -22.397 -3.494 -1.471 1.00 0.00 H new ATOM 0 HA MET A 3 -20.113 -3.024 -0.072 1.00 0.00 H new ATOM 0 HB2 MET A 3 -21.868 -5.521 -0.099 1.00 0.00 H new ATOM 0 HB3 MET A 3 -20.722 -5.141 1.171 1.00 0.00 H new ATOM 0 HG2 MET A 3 -23.153 -3.486 0.409 1.00 0.00 H new ATOM 0 HG3 MET A 3 -23.016 -4.531 1.809 1.00 0.00 H new ATOM 0 HE1 MET A 3 -20.462 -2.733 4.089 1.00 0.00 H new ATOM 0 HE2 MET A 3 -21.241 -4.266 3.630 1.00 0.00 H new ATOM 0 HE3 MET A 3 -19.800 -3.703 2.751 1.00 0.00 H new ATOM 38 N LYS A 4 -19.701 -5.812 -1.813 1.00 0.00 N ATOM 39 CA LYS A 4 -18.677 -6.770 -2.236 1.00 0.00 C ATOM 40 C LYS A 4 -17.693 -6.168 -3.238 1.00 0.00 C ATOM 41 O LYS A 4 -16.548 -6.596 -3.319 1.00 0.00 O ATOM 42 CB LYS A 4 -19.330 -8.020 -2.829 1.00 0.00 C ATOM 43 CG LYS A 4 -20.056 -8.875 -1.801 1.00 0.00 C ATOM 44 CD LYS A 4 -19.083 -9.495 -0.810 1.00 0.00 C ATOM 45 CE LYS A 4 -19.800 -10.333 0.238 1.00 0.00 C ATOM 46 NZ LYS A 4 -20.676 -9.507 1.112 1.00 0.00 N ATOM 0 H LYS A 4 -20.645 -6.034 -2.129 1.00 0.00 H new ATOM 0 HA LYS A 4 -18.109 -7.042 -1.347 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -20.037 -7.718 -3.602 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -18.564 -8.624 -3.315 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -20.783 -8.265 -1.266 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -20.613 -9.663 -2.308 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.367 -10.118 -1.346 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.514 -8.706 -0.318 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -20.400 -11.097 -0.257 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -19.064 -10.853 0.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.997 -10.077 1.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -20.143 -8.684 1.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -21.501 -9.181 0.569 1.00 0.00 H new ATOM 60 N GLN A 5 -18.130 -5.153 -3.961 1.00 0.00 N ATOM 61 CA GLN A 5 -17.321 -4.551 -5.015 1.00 0.00 C ATOM 62 C GLN A 5 -16.442 -3.472 -4.420 1.00 0.00 C ATOM 63 O GLN A 5 -15.259 -3.366 -4.742 1.00 0.00 O ATOM 64 CB GLN A 5 -18.200 -3.963 -6.127 1.00 0.00 C ATOM 65 CG GLN A 5 -18.861 -5.009 -7.018 1.00 0.00 C ATOM 66 CD GLN A 5 -19.944 -5.803 -6.316 1.00 0.00 C ATOM 67 OE1 GLN A 5 -20.147 -6.979 -6.603 1.00 0.00 O ATOM 68 NE2 GLN A 5 -20.668 -5.162 -5.413 1.00 0.00 N ATOM 0 H GLN A 5 -19.047 -4.723 -3.839 1.00 0.00 H new ATOM 0 HA GLN A 5 -16.699 -5.328 -5.460 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -18.975 -3.345 -5.674 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -17.591 -3.306 -6.747 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -19.291 -4.514 -7.889 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -18.099 -5.696 -7.386 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -20.470 -4.184 -5.201 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -21.424 -5.646 -4.929 1.00 0.00 H new ATOM 77 N LEU A 6 -17.031 -2.685 -3.535 1.00 0.00 N ATOM 78 CA LEU A 6 -16.287 -1.703 -2.774 1.00 0.00 C ATOM 79 C LEU A 6 -15.265 -2.422 -1.912 1.00 0.00 C ATOM 80 O LEU A 6 -14.089 -2.070 -1.905 1.00 0.00 O ATOM 81 CB LEU A 6 -17.227 -0.870 -1.892 1.00 0.00 C ATOM 82 CG LEU A 6 -17.840 0.393 -2.524 1.00 0.00 C ATOM 83 CD1 LEU A 6 -16.787 1.476 -2.715 1.00 0.00 C ATOM 84 CD2 LEU A 6 -18.513 0.073 -3.850 1.00 0.00 C ATOM 0 H LEU A 6 -18.029 -2.710 -3.327 1.00 0.00 H new ATOM 0 HA LEU A 6 -15.782 -1.024 -3.462 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -18.042 -1.514 -1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -16.677 -0.570 -1.000 1.00 0.00 H new ATOM 0 HG LEU A 6 -18.599 0.767 -1.836 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -17.248 2.356 -3.163 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -16.359 1.742 -1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -15.999 1.106 -3.371 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -18.937 0.984 -4.272 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -17.778 -0.340 -4.541 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -19.308 -0.655 -3.688 1.00 0.00 H new ATOM 96 N GLU A 7 -15.727 -3.457 -1.211 1.00 0.00 N ATOM 97 CA GLU A 7 -14.853 -4.295 -0.402 1.00 0.00 C ATOM 98 C GLU A 7 -13.773 -4.924 -1.273 1.00 0.00 C ATOM 99 O GLU A 7 -12.629 -5.075 -0.838 1.00 0.00 O ATOM 100 CB GLU A 7 -15.657 -5.387 0.310 1.00 0.00 C ATOM 101 CG GLU A 7 -14.839 -6.234 1.274 1.00 0.00 C ATOM 102 CD GLU A 7 -14.275 -5.428 2.429 1.00 0.00 C ATOM 103 OE1 GLU A 7 -14.975 -5.293 3.454 1.00 0.00 O ATOM 104 OE2 GLU A 7 -13.135 -4.932 2.307 1.00 0.00 O ATOM 0 H GLU A 7 -16.709 -3.734 -1.190 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.379 -3.668 0.353 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -16.476 -4.921 0.858 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -16.105 -6.040 -0.439 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.464 -7.036 1.667 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.020 -6.706 0.731 1.00 0.00 H new ATOM 111 N ASP A 8 -14.131 -5.286 -2.508 1.00 0.00 N ATOM 112 CA ASP A 8 -13.138 -5.809 -3.446 1.00 0.00 C ATOM 113 C ASP A 8 -12.032 -4.788 -3.677 1.00 0.00 C ATOM 114 O ASP A 8 -10.852 -5.123 -3.629 1.00 0.00 O ATOM 115 CB ASP A 8 -13.760 -6.200 -4.789 1.00 0.00 C ATOM 116 CG ASP A 8 -14.229 -7.642 -4.818 1.00 0.00 C ATOM 117 OD1 ASP A 8 -15.328 -7.901 -5.353 1.00 0.00 O ATOM 118 OD2 ASP A 8 -13.496 -8.511 -4.307 1.00 0.00 O ATOM 0 H ASP A 8 -15.081 -5.228 -2.875 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.720 -6.709 -2.994 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.604 -5.543 -4.999 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.029 -6.044 -5.583 1.00 0.00 H new ATOM 123 N LYS A 9 -12.422 -3.540 -3.907 1.00 0.00 N ATOM 124 CA LYS A 9 -11.462 -2.466 -4.150 1.00 0.00 C ATOM 125 C LYS A 9 -10.544 -2.271 -2.947 1.00 0.00 C ATOM 126 O LYS A 9 -9.328 -2.126 -3.103 1.00 0.00 O ATOM 127 CB LYS A 9 -12.188 -1.156 -4.470 1.00 0.00 C ATOM 128 CG LYS A 9 -13.063 -1.225 -5.712 1.00 0.00 C ATOM 129 CD LYS A 9 -12.257 -1.611 -6.942 1.00 0.00 C ATOM 130 CE LYS A 9 -13.125 -1.652 -8.188 1.00 0.00 C ATOM 131 NZ LYS A 9 -13.680 -0.315 -8.527 1.00 0.00 N ATOM 0 H LYS A 9 -13.398 -3.245 -3.931 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.853 -2.751 -5.008 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.806 -0.877 -3.617 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.449 -0.365 -4.601 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -13.861 -1.951 -5.556 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -13.539 -0.259 -5.877 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.446 -0.897 -7.086 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.798 -2.587 -6.785 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.537 -2.023 -9.027 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.943 -2.356 -8.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -14.092 -0.342 -9.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.417 -0.060 -7.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.920 0.394 -8.498 1.00 0.00 H new ATOM 145 N VAL A 10 -11.131 -2.278 -1.754 1.00 0.00 N ATOM 146 CA VAL A 10 -10.369 -2.115 -0.519 1.00 0.00 C ATOM 147 C VAL A 10 -9.309 -3.212 -0.404 1.00 0.00 C ATOM 148 O VAL A 10 -8.133 -2.942 -0.167 1.00 0.00 O ATOM 149 CB VAL A 10 -11.272 -2.182 0.737 1.00 0.00 C ATOM 150 CG1 VAL A 10 -10.538 -1.658 1.954 1.00 0.00 C ATOM 151 CG2 VAL A 10 -12.566 -1.415 0.556 1.00 0.00 C ATOM 0 H VAL A 10 -12.135 -2.395 -1.616 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.904 -1.130 -0.565 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.523 -3.232 0.886 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.191 -1.714 2.825 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.647 -2.261 2.129 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -10.247 -0.621 1.785 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.165 -1.492 1.464 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -12.343 -0.367 0.356 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.123 -1.833 -0.282 1.00 0.00 H new ATOM 161 N GLU A 11 -9.738 -4.452 -0.602 1.00 0.00 N ATOM 162 CA GLU A 11 -8.869 -5.613 -0.436 1.00 0.00 C ATOM 163 C GLU A 11 -7.809 -5.691 -1.541 1.00 0.00 C ATOM 164 O GLU A 11 -6.717 -6.206 -1.318 1.00 0.00 O ATOM 165 CB GLU A 11 -9.722 -6.888 -0.429 1.00 0.00 C ATOM 166 CG GLU A 11 -8.930 -8.185 -0.328 1.00 0.00 C ATOM 167 CD GLU A 11 -8.199 -8.334 0.992 1.00 0.00 C ATOM 168 OE1 GLU A 11 -6.973 -8.101 1.023 1.00 0.00 O ATOM 169 OE2 GLU A 11 -8.853 -8.684 1.997 1.00 0.00 O ATOM 0 H GLU A 11 -10.692 -4.682 -0.881 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.343 -5.514 0.513 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.419 -6.838 0.408 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.320 -6.914 -1.340 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.608 -9.029 -0.458 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.208 -8.227 -1.143 1.00 0.00 H new ATOM 176 N GLU A 12 -8.128 -5.191 -2.729 1.00 0.00 N ATOM 177 CA GLU A 12 -7.163 -5.170 -3.825 1.00 0.00 C ATOM 178 C GLU A 12 -5.992 -4.271 -3.469 1.00 0.00 C ATOM 179 O GLU A 12 -4.829 -4.644 -3.643 1.00 0.00 O ATOM 180 CB GLU A 12 -7.811 -4.694 -5.125 1.00 0.00 C ATOM 181 CG GLU A 12 -8.778 -5.698 -5.727 1.00 0.00 C ATOM 182 CD GLU A 12 -9.431 -5.183 -6.992 1.00 0.00 C ATOM 183 OE1 GLU A 12 -8.922 -5.487 -8.090 1.00 0.00 O ATOM 184 OE2 GLU A 12 -10.450 -4.471 -6.882 1.00 0.00 O ATOM 0 H GLU A 12 -9.040 -4.797 -2.959 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.804 -6.188 -3.979 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.341 -3.760 -4.936 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.029 -4.475 -5.852 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.246 -6.624 -5.947 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.549 -5.939 -4.995 1.00 0.00 H new ATOM 191 N LEU A 13 -6.305 -3.095 -2.947 1.00 0.00 N ATOM 192 CA LEU A 13 -5.280 -2.186 -2.470 1.00 0.00 C ATOM 193 C LEU A 13 -4.574 -2.801 -1.277 1.00 0.00 C ATOM 194 O LEU A 13 -3.368 -2.650 -1.114 1.00 0.00 O ATOM 195 CB LEU A 13 -5.887 -0.844 -2.076 1.00 0.00 C ATOM 196 CG LEU A 13 -6.593 -0.095 -3.202 1.00 0.00 C ATOM 197 CD1 LEU A 13 -7.177 1.197 -2.675 1.00 0.00 C ATOM 198 CD2 LEU A 13 -5.637 0.185 -4.350 1.00 0.00 C ATOM 0 H LEU A 13 -7.259 -2.750 -2.844 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.563 -2.016 -3.273 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.600 -1.009 -1.268 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.096 -0.208 -1.678 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.401 -0.721 -3.581 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.679 1.726 -3.485 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.895 0.976 -1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.378 1.821 -2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.164 0.720 -5.140 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.806 0.793 -3.992 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.254 -0.757 -4.742 1.00 0.00 H new ATOM 210 N LEU A 14 -5.344 -3.515 -0.465 1.00 0.00 N ATOM 211 CA LEU A 14 -4.823 -4.207 0.705 1.00 0.00 C ATOM 212 C LEU A 14 -3.812 -5.271 0.299 1.00 0.00 C ATOM 213 O LEU A 14 -2.863 -5.560 1.026 1.00 0.00 O ATOM 214 CB LEU A 14 -5.966 -4.879 1.462 1.00 0.00 C ATOM 215 CG LEU A 14 -5.689 -5.141 2.938 1.00 0.00 C ATOM 216 CD1 LEU A 14 -5.579 -3.826 3.682 1.00 0.00 C ATOM 217 CD2 LEU A 14 -6.782 -6.004 3.543 1.00 0.00 C ATOM 0 H LEU A 14 -6.348 -3.630 -0.600 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.332 -3.471 1.342 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.855 -4.254 1.379 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.197 -5.827 0.976 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.745 -5.678 3.028 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.381 -4.020 4.736 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.763 -3.237 3.262 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.513 -3.273 3.584 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.566 -6.179 4.597 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.741 -5.495 3.449 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.825 -6.958 3.018 1.00 0.00 H new ATOM 229 N SER A 15 -4.033 -5.846 -0.869 1.00 0.00 N ATOM 230 CA SER A 15 -3.196 -6.913 -1.371 1.00 0.00 C ATOM 231 C SER A 15 -1.855 -6.349 -1.813 1.00 0.00 C ATOM 232 O SER A 15 -0.810 -6.973 -1.611 1.00 0.00 O ATOM 233 CB SER A 15 -3.893 -7.634 -2.529 1.00 0.00 C ATOM 234 OG SER A 15 -3.280 -8.885 -2.806 1.00 0.00 O ATOM 0 H SER A 15 -4.797 -5.585 -1.493 1.00 0.00 H new ATOM 0 HA SER A 15 -3.023 -7.638 -0.576 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.944 -7.789 -2.283 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.863 -7.007 -3.420 1.00 0.00 H new ATOM 0 HG SER A 15 -3.748 -9.321 -3.548 1.00 0.00 H new ATOM 240 N LYS A 16 -1.871 -5.157 -2.400 1.00 0.00 N ATOM 241 CA LYS A 16 -0.623 -4.518 -2.754 1.00 0.00 C ATOM 242 C LYS A 16 -0.036 -3.836 -1.528 1.00 0.00 C ATOM 243 O LYS A 16 1.168 -3.757 -1.404 1.00 0.00 O ATOM 244 CB LYS A 16 -0.756 -3.557 -3.944 1.00 0.00 C ATOM 245 CG LYS A 16 -1.446 -2.233 -3.657 1.00 0.00 C ATOM 246 CD LYS A 16 -1.611 -1.437 -4.945 1.00 0.00 C ATOM 247 CE LYS A 16 -2.031 0.003 -4.691 1.00 0.00 C ATOM 248 NZ LYS A 16 -2.342 0.714 -5.961 1.00 0.00 N ATOM 0 H LYS A 16 -2.713 -4.631 -2.633 1.00 0.00 H new ATOM 0 HA LYS A 16 0.067 -5.292 -3.092 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.242 -3.348 -4.330 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.304 -4.066 -4.737 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.421 -2.413 -3.205 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.862 -1.658 -2.938 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.671 -1.446 -5.497 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.355 -1.923 -5.576 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.906 0.018 -4.041 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.234 0.528 -4.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.625 1.693 -5.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.499 0.720 -6.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.120 0.227 -6.450 1.00 0.00 H new ATOM 262 N ASN A 17 -0.892 -3.384 -0.603 1.00 0.00 N ATOM 263 CA ASN A 17 -0.430 -2.957 0.724 1.00 0.00 C ATOM 264 C ASN A 17 0.443 -4.046 1.303 1.00 0.00 C ATOM 265 O ASN A 17 1.520 -3.780 1.816 1.00 0.00 O ATOM 266 CB ASN A 17 -1.600 -2.750 1.702 1.00 0.00 C ATOM 267 CG ASN A 17 -2.366 -1.457 1.528 1.00 0.00 C ATOM 268 OD1 ASN A 17 -3.585 -1.433 1.661 1.00 0.00 O ATOM 269 ND2 ASN A 17 -1.670 -0.365 1.303 1.00 0.00 N ATOM 0 H ASN A 17 -1.899 -3.305 -0.746 1.00 0.00 H new ATOM 0 HA ASN A 17 0.104 -2.015 0.600 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.295 -3.583 1.593 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.213 -2.790 2.720 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -2.143 0.536 1.234 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.657 -0.419 1.197 1.00 0.00 H new ATOM 276 N TYR A 18 -0.048 -5.279 1.203 1.00 0.00 N ATOM 277 CA TYR A 18 0.663 -6.436 1.736 1.00 0.00 C ATOM 278 C TYR A 18 2.035 -6.587 1.080 1.00 0.00 C ATOM 279 O TYR A 18 3.064 -6.480 1.742 1.00 0.00 O ATOM 280 CB TYR A 18 -0.166 -7.709 1.526 1.00 0.00 C ATOM 281 CG TYR A 18 0.462 -8.957 2.108 1.00 0.00 C ATOM 282 CD1 TYR A 18 1.172 -9.842 1.304 1.00 0.00 C ATOM 283 CD2 TYR A 18 0.341 -9.252 3.460 1.00 0.00 C ATOM 284 CE1 TYR A 18 1.743 -10.984 1.831 1.00 0.00 C ATOM 285 CE2 TYR A 18 0.911 -10.392 3.993 1.00 0.00 C ATOM 286 CZ TYR A 18 1.608 -11.254 3.176 1.00 0.00 C ATOM 287 OH TYR A 18 2.170 -12.394 3.708 1.00 0.00 O ATOM 0 H TYR A 18 -0.938 -5.502 0.756 1.00 0.00 H new ATOM 0 HA TYR A 18 0.812 -6.280 2.804 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.150 -7.567 1.974 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.320 -7.857 0.457 1.00 0.00 H new ATOM 0 HD1 TYR A 18 1.279 -9.633 0.250 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.207 -8.580 4.104 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.292 -11.661 1.193 1.00 0.00 H new ATOM 0 HE2 TYR A 18 0.810 -10.606 5.047 1.00 0.00 H new ATOM 0 HH TYR A 18 1.983 -12.433 4.669 1.00 0.00 H new ATOM 297 N HIS A 19 2.041 -6.805 -0.230 1.00 0.00 N ATOM 298 CA HIS A 19 3.283 -7.075 -0.952 1.00 0.00 C ATOM 299 C HIS A 19 4.222 -5.874 -0.935 1.00 0.00 C ATOM 300 O HIS A 19 5.424 -6.025 -0.740 1.00 0.00 O ATOM 301 CB HIS A 19 2.991 -7.501 -2.391 1.00 0.00 C ATOM 302 CG HIS A 19 2.451 -8.893 -2.504 1.00 0.00 C ATOM 303 ND1 HIS A 19 3.248 -9.991 -2.734 1.00 0.00 N ATOM 304 CD2 HIS A 19 1.186 -9.364 -2.410 1.00 0.00 C ATOM 305 CE1 HIS A 19 2.499 -11.075 -2.775 1.00 0.00 C ATOM 306 NE2 HIS A 19 1.242 -10.724 -2.581 1.00 0.00 N ATOM 0 H HIS A 19 1.205 -6.801 -0.814 1.00 0.00 H new ATOM 0 HA HIS A 19 3.785 -7.894 -0.437 1.00 0.00 H new ATOM 0 HB2 HIS A 19 2.275 -6.805 -2.829 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.907 -7.427 -2.977 1.00 0.00 H new ATOM 0 HD2 HIS A 19 0.297 -8.778 -2.233 1.00 0.00 H new ATOM 0 HE1 HIS A 19 2.855 -12.081 -2.940 1.00 0.00 H new ATOM 0 HE2 HIS A 19 0.444 -11.359 -2.561 1.00 0.00 H new ATOM 315 N LEU A 20 3.666 -4.687 -1.124 1.00 0.00 N ATOM 316 CA LEU A 20 4.432 -3.458 -1.126 1.00 0.00 C ATOM 317 C LEU A 20 4.998 -3.172 0.277 1.00 0.00 C ATOM 318 O LEU A 20 6.095 -2.628 0.412 1.00 0.00 O ATOM 319 CB LEU A 20 3.520 -2.342 -1.677 1.00 0.00 C ATOM 320 CG LEU A 20 3.861 -0.911 -1.330 1.00 0.00 C ATOM 321 CD1 LEU A 20 5.305 -0.610 -1.618 1.00 0.00 C ATOM 322 CD2 LEU A 20 2.996 0.058 -2.102 1.00 0.00 C ATOM 0 H LEU A 20 2.667 -4.553 -1.281 1.00 0.00 H new ATOM 0 HA LEU A 20 5.307 -3.528 -1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.506 -2.428 -2.764 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.506 -2.537 -1.329 1.00 0.00 H new ATOM 0 HG LEU A 20 3.675 -0.791 -0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.519 0.427 -1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.939 -1.271 -1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.505 -0.767 -2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.264 1.080 -1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.152 -0.087 -3.171 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.948 -0.118 -1.861 1.00 0.00 H new ATOM 334 N GLU A 21 4.279 -3.584 1.320 1.00 0.00 N ATOM 335 CA GLU A 21 4.813 -3.508 2.681 1.00 0.00 C ATOM 336 C GLU A 21 6.036 -4.411 2.818 1.00 0.00 C ATOM 337 O GLU A 21 7.034 -4.033 3.436 1.00 0.00 O ATOM 338 CB GLU A 21 3.755 -3.899 3.719 1.00 0.00 C ATOM 339 CG GLU A 21 3.142 -2.719 4.449 1.00 0.00 C ATOM 340 CD GLU A 21 2.053 -3.140 5.414 1.00 0.00 C ATOM 341 OE1 GLU A 21 2.329 -3.208 6.629 1.00 0.00 O ATOM 342 OE2 GLU A 21 0.923 -3.403 4.955 1.00 0.00 O ATOM 0 H GLU A 21 3.337 -3.969 1.252 1.00 0.00 H new ATOM 0 HA GLU A 21 5.105 -2.475 2.868 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.962 -4.457 3.222 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.208 -4.570 4.449 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.922 -2.188 4.995 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.729 -2.020 3.722 1.00 0.00 H new ATOM 349 N ASN A 22 5.954 -5.601 2.232 1.00 0.00 N ATOM 350 CA ASN A 22 7.083 -6.529 2.226 1.00 0.00 C ATOM 351 C ASN A 22 8.226 -5.980 1.383 1.00 0.00 C ATOM 352 O ASN A 22 9.396 -6.229 1.674 1.00 0.00 O ATOM 353 CB ASN A 22 6.677 -7.908 1.696 1.00 0.00 C ATOM 354 CG ASN A 22 5.808 -8.689 2.664 1.00 0.00 C ATOM 355 OD1 ASN A 22 4.582 -8.647 2.591 1.00 0.00 O ATOM 356 ND2 ASN A 22 6.435 -9.410 3.578 1.00 0.00 N ATOM 0 H ASN A 22 5.121 -5.946 1.756 1.00 0.00 H new ATOM 0 HA ASN A 22 7.414 -6.639 3.259 1.00 0.00 H new ATOM 0 HB2 ASN A 22 6.141 -7.785 0.755 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.576 -8.485 1.478 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.899 -9.956 4.253 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.455 -9.421 3.608 1.00 0.00 H new ATOM 363 N GLU A 23 7.883 -5.231 0.336 1.00 0.00 N ATOM 364 CA GLU A 23 8.887 -4.619 -0.528 1.00 0.00 C ATOM 365 C GLU A 23 9.762 -3.661 0.270 1.00 0.00 C ATOM 366 O GLU A 23 10.988 -3.725 0.192 1.00 0.00 O ATOM 367 CB GLU A 23 8.234 -3.877 -1.697 1.00 0.00 C ATOM 368 CG GLU A 23 7.420 -4.770 -2.619 1.00 0.00 C ATOM 369 CD GLU A 23 8.250 -5.861 -3.269 1.00 0.00 C ATOM 370 OE1 GLU A 23 8.408 -6.934 -2.652 1.00 0.00 O ATOM 371 OE2 GLU A 23 8.736 -5.640 -4.397 1.00 0.00 O ATOM 0 H GLU A 23 6.919 -5.035 0.067 1.00 0.00 H new ATOM 0 HA GLU A 23 9.508 -5.418 -0.933 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.586 -3.095 -1.301 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.011 -3.383 -2.280 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.609 -5.227 -2.051 1.00 0.00 H new ATOM 0 HG3 GLU A 23 6.960 -4.159 -3.396 1.00 0.00 H new ATOM 378 N VAL A 24 9.127 -2.787 1.048 1.00 0.00 N ATOM 379 CA VAL A 24 9.868 -1.862 1.898 1.00 0.00 C ATOM 380 C VAL A 24 10.710 -2.637 2.909 1.00 0.00 C ATOM 381 O VAL A 24 11.877 -2.317 3.134 1.00 0.00 O ATOM 382 CB VAL A 24 8.943 -0.871 2.654 1.00 0.00 C ATOM 383 CG1 VAL A 24 9.713 -0.128 3.729 1.00 0.00 C ATOM 384 CG2 VAL A 24 8.359 0.134 1.703 1.00 0.00 C ATOM 0 H VAL A 24 8.112 -2.701 1.107 1.00 0.00 H new ATOM 0 HA VAL A 24 10.510 -1.277 1.240 1.00 0.00 H new ATOM 0 HB VAL A 24 8.144 -1.453 3.114 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.044 0.561 4.245 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.121 -0.842 4.444 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.528 0.432 3.271 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.713 0.821 2.250 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.163 0.694 1.227 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.776 -0.383 0.941 1.00 0.00 H new ATOM 394 N ALA A 25 10.109 -3.667 3.499 1.00 0.00 N ATOM 395 CA ALA A 25 10.781 -4.491 4.498 1.00 0.00 C ATOM 396 C ALA A 25 12.081 -5.075 3.950 1.00 0.00 C ATOM 397 O ALA A 25 13.118 -5.031 4.616 1.00 0.00 O ATOM 398 CB ALA A 25 9.858 -5.605 4.973 1.00 0.00 C ATOM 0 H ALA A 25 9.150 -3.952 3.300 1.00 0.00 H new ATOM 0 HA ALA A 25 11.031 -3.854 5.347 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.373 -6.211 5.718 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.961 -5.171 5.415 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.578 -6.231 4.126 1.00 0.00 H new ATOM 404 N ARG A 26 12.021 -5.615 2.736 1.00 0.00 N ATOM 405 CA ARG A 26 13.205 -6.162 2.086 1.00 0.00 C ATOM 406 C ARG A 26 14.266 -5.084 1.916 1.00 0.00 C ATOM 407 O ARG A 26 15.362 -5.190 2.466 1.00 0.00 O ATOM 408 CB ARG A 26 12.858 -6.751 0.717 1.00 0.00 C ATOM 409 CG ARG A 26 11.987 -7.993 0.777 1.00 0.00 C ATOM 410 CD ARG A 26 11.772 -8.573 -0.610 1.00 0.00 C ATOM 411 NE ARG A 26 11.023 -9.828 -0.576 1.00 0.00 N ATOM 412 CZ ARG A 26 11.358 -10.914 -1.275 1.00 0.00 C ATOM 413 NH1 ARG A 26 12.438 -10.910 -2.047 1.00 0.00 N ATOM 414 NH2 ARG A 26 10.611 -12.007 -1.202 1.00 0.00 N ATOM 0 H ARG A 26 11.166 -5.685 2.184 1.00 0.00 H new ATOM 0 HA ARG A 26 13.594 -6.956 2.723 1.00 0.00 H new ATOM 0 HB2 ARG A 26 12.347 -5.991 0.126 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.783 -6.994 0.194 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.455 -8.739 1.419 1.00 0.00 H new ATOM 0 HG3 ARG A 26 11.025 -7.746 1.225 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.237 -7.850 -1.225 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.739 -8.742 -1.085 1.00 0.00 H new ATOM 0 HE ARG A 26 10.195 -9.876 0.018 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.018 -10.073 -2.109 1.00 0.00 H new ATOM 0 HH12 ARG A 26 12.688 -11.744 -2.579 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.780 -12.018 -0.611 1.00 0.00 H new ATOM 0 HH22 ARG A 26 10.868 -12.837 -1.737 1.00 0.00 H new ATOM 428 N LEU A 27 13.910 -4.037 1.182 1.00 0.00 N ATOM 429 CA LEU A 27 14.834 -2.952 0.858 1.00 0.00 C ATOM 430 C LEU A 27 15.469 -2.361 2.112 1.00 0.00 C ATOM 431 O LEU A 27 16.657 -2.043 2.124 1.00 0.00 O ATOM 432 CB LEU A 27 14.107 -1.836 0.109 1.00 0.00 C ATOM 433 CG LEU A 27 13.904 -2.012 -1.404 1.00 0.00 C ATOM 434 CD1 LEU A 27 13.494 -3.428 -1.772 1.00 0.00 C ATOM 435 CD2 LEU A 27 12.854 -1.029 -1.880 1.00 0.00 C ATOM 0 H LEU A 27 12.975 -3.914 0.794 1.00 0.00 H new ATOM 0 HA LEU A 27 15.617 -3.377 0.231 1.00 0.00 H new ATOM 0 HB2 LEU A 27 13.126 -1.707 0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.658 -0.909 0.269 1.00 0.00 H new ATOM 0 HG LEU A 27 14.857 -1.819 -1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.363 -3.500 -2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 27 14.268 -4.126 -1.453 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.556 -3.676 -1.276 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.704 -1.148 -2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.915 -1.219 -1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 27 13.186 -0.012 -1.670 1.00 0.00 H new ATOM 447 N LYS A 28 14.667 -2.223 3.161 1.00 0.00 N ATOM 448 CA LYS A 28 15.116 -1.623 4.411 1.00 0.00 C ATOM 449 C LYS A 28 16.310 -2.388 4.980 1.00 0.00 C ATOM 450 O LYS A 28 17.265 -1.795 5.486 1.00 0.00 O ATOM 451 CB LYS A 28 13.972 -1.621 5.427 1.00 0.00 C ATOM 452 CG LYS A 28 14.024 -0.462 6.405 1.00 0.00 C ATOM 453 CD LYS A 28 13.800 0.859 5.691 1.00 0.00 C ATOM 454 CE LYS A 28 13.804 2.034 6.646 1.00 0.00 C ATOM 455 NZ LYS A 28 15.085 2.151 7.388 1.00 0.00 N ATOM 0 H LYS A 28 13.692 -2.522 3.169 1.00 0.00 H new ATOM 0 HA LYS A 28 15.425 -0.597 4.210 1.00 0.00 H new ATOM 0 HB2 LYS A 28 13.023 -1.590 4.892 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.993 -2.557 5.985 1.00 0.00 H new ATOM 0 HG2 LYS A 28 13.265 -0.597 7.176 1.00 0.00 H new ATOM 0 HG3 LYS A 28 14.991 -0.449 6.908 1.00 0.00 H new ATOM 0 HD2 LYS A 28 14.578 1.001 4.940 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.848 0.827 5.161 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.624 2.953 6.089 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.984 1.926 7.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.029 2.948 8.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.263 1.272 7.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.862 2.315 6.716 1.00 0.00 H new ATOM 469 N LYS A 29 16.252 -3.711 4.876 1.00 0.00 N ATOM 470 CA LYS A 29 17.318 -4.571 5.373 1.00 0.00 C ATOM 471 C LYS A 29 18.526 -4.522 4.434 1.00 0.00 C ATOM 472 O LYS A 29 19.668 -4.699 4.858 1.00 0.00 O ATOM 473 CB LYS A 29 16.789 -6.008 5.535 1.00 0.00 C ATOM 474 CG LYS A 29 17.796 -7.007 6.099 1.00 0.00 C ATOM 475 CD LYS A 29 18.571 -7.724 5.000 1.00 0.00 C ATOM 476 CE LYS A 29 17.688 -8.682 4.211 1.00 0.00 C ATOM 477 NZ LYS A 29 17.113 -9.747 5.074 1.00 0.00 N ATOM 0 H LYS A 29 15.473 -4.213 4.449 1.00 0.00 H new ATOM 0 HA LYS A 29 17.647 -4.214 6.349 1.00 0.00 H new ATOM 0 HB2 LYS A 29 15.917 -5.986 6.188 1.00 0.00 H new ATOM 0 HB3 LYS A 29 16.450 -6.366 4.563 1.00 0.00 H new ATOM 0 HG2 LYS A 29 18.495 -6.486 6.754 1.00 0.00 H new ATOM 0 HG3 LYS A 29 17.273 -7.742 6.711 1.00 0.00 H new ATOM 0 HD2 LYS A 29 19.004 -6.988 4.322 1.00 0.00 H new ATOM 0 HD3 LYS A 29 19.400 -8.276 5.442 1.00 0.00 H new ATOM 0 HE2 LYS A 29 16.881 -8.124 3.737 1.00 0.00 H new ATOM 0 HE3 LYS A 29 18.272 -9.139 3.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 16.767 -10.527 4.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 17.846 -10.104 5.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 16.324 -9.357 5.628 1.00 0.00 H new ATOM 491 N LEU A 30 18.264 -4.249 3.163 1.00 0.00 N ATOM 492 CA LEU A 30 19.312 -4.150 2.156 1.00 0.00 C ATOM 493 C LEU A 30 20.078 -2.845 2.305 1.00 0.00 C ATOM 494 O LEU A 30 21.278 -2.785 2.038 1.00 0.00 O ATOM 495 CB LEU A 30 18.730 -4.264 0.744 1.00 0.00 C ATOM 496 CG LEU A 30 18.612 -5.689 0.199 1.00 0.00 C ATOM 497 CD1 LEU A 30 17.591 -6.504 0.973 1.00 0.00 C ATOM 498 CD2 LEU A 30 18.263 -5.664 -1.278 1.00 0.00 C ATOM 0 H LEU A 30 17.323 -4.091 2.802 1.00 0.00 H new ATOM 0 HA LEU A 30 20.002 -4.979 2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 30 17.740 -3.807 0.739 1.00 0.00 H new ATOM 0 HB3 LEU A 30 19.353 -3.683 0.064 1.00 0.00 H new ATOM 0 HG LEU A 30 19.581 -6.172 0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 30 17.536 -7.510 0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 30 17.889 -6.561 2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 30 16.614 -6.027 0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 30 18.183 -6.685 -1.650 1.00 0.00 H new ATOM 0 HD22 LEU A 30 17.312 -5.151 -1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 30 19.044 -5.138 -1.827 1.00 0.00 H new ATOM 510 N VAL A 31 19.377 -1.797 2.722 1.00 0.00 N ATOM 511 CA VAL A 31 20.029 -0.547 3.085 1.00 0.00 C ATOM 512 C VAL A 31 20.732 -0.736 4.423 1.00 0.00 C ATOM 513 O VAL A 31 21.714 -0.065 4.744 1.00 0.00 O ATOM 514 CB VAL A 31 19.024 0.627 3.186 1.00 0.00 C ATOM 515 CG1 VAL A 31 19.738 1.931 3.507 1.00 0.00 C ATOM 516 CG2 VAL A 31 18.225 0.766 1.900 1.00 0.00 C ATOM 0 H VAL A 31 18.361 -1.789 2.816 1.00 0.00 H new ATOM 0 HA VAL A 31 20.745 -0.294 2.303 1.00 0.00 H new ATOM 0 HB VAL A 31 18.334 0.405 4.000 1.00 0.00 H new ATOM 0 HG11 VAL A 31 19.009 2.739 3.572 1.00 0.00 H new ATOM 0 HG12 VAL A 31 20.260 1.835 4.459 1.00 0.00 H new ATOM 0 HG13 VAL A 31 20.458 2.155 2.720 1.00 0.00 H new ATOM 0 HG21 VAL A 31 17.526 1.597 1.994 1.00 0.00 H new ATOM 0 HG22 VAL A 31 18.904 0.956 1.069 1.00 0.00 H new ATOM 0 HG23 VAL A 31 17.672 -0.155 1.714 1.00 0.00 H new ATOM 526 N GLY A 32 20.219 -1.690 5.186 1.00 0.00 N ATOM 527 CA GLY A 32 20.822 -2.055 6.446 1.00 0.00 C ATOM 528 C GLY A 32 20.324 -1.198 7.583 1.00 0.00 C ATOM 529 O GLY A 32 21.056 -0.937 8.539 1.00 0.00 O ATOM 0 H GLY A 32 19.383 -2.223 4.948 1.00 0.00 H new ATOM 0 HA2 GLY A 32 20.607 -3.102 6.661 1.00 0.00 H new ATOM 0 HA3 GLY A 32 21.905 -1.961 6.370 1.00 0.00 H new ATOM 533 N GLU A 33 19.079 -0.760 7.484 1.00 0.00 N ATOM 534 CA GLU A 33 18.495 0.097 8.505 1.00 0.00 C ATOM 535 C GLU A 33 17.196 -0.502 9.025 1.00 0.00 C ATOM 536 O GLU A 33 16.112 0.020 8.686 1.00 0.00 O ATOM 537 CB GLU A 33 18.245 1.502 7.948 1.00 0.00 C ATOM 538 CG GLU A 33 19.515 2.273 7.622 1.00 0.00 C ATOM 539 CD GLU A 33 20.323 2.624 8.858 1.00 0.00 C ATOM 540 OE1 GLU A 33 21.228 1.846 9.215 1.00 0.00 O ATOM 541 OE2 GLU A 33 20.048 3.678 9.467 1.00 0.00 O ATOM 542 OXT GLU A 33 17.265 -1.501 9.766 1.00 0.00 O ATOM 0 H GLU A 33 18.454 -0.983 6.709 1.00 0.00 H new ATOM 0 HA GLU A 33 19.200 0.172 9.333 1.00 0.00 H new ATOM 0 HB2 GLU A 33 17.639 1.421 7.045 1.00 0.00 H new ATOM 0 HB3 GLU A 33 17.663 2.071 8.673 1.00 0.00 H new ATOM 0 HG2 GLU A 33 20.132 1.680 6.947 1.00 0.00 H new ATOM 0 HG3 GLU A 33 19.253 3.189 7.093 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 -24.915 4.348 6.084 1.00 0.00 N ATOM 551 CA GLY B 1 -24.479 4.401 4.668 1.00 0.00 C ATOM 552 C GLY B 1 -23.387 3.394 4.380 1.00 0.00 C ATOM 553 O GLY B 1 -22.831 2.795 5.301 1.00 0.00 O ATOM 0 H1 GLY B 1 -25.924 4.098 6.128 1.00 0.00 H new ATOM 0 H2 GLY B 1 -24.359 3.631 6.592 1.00 0.00 H new ATOM 0 H3 GLY B 1 -24.769 5.277 6.527 1.00 0.00 H new ATOM 0 HA2 GLY B 1 -25.332 4.209 4.017 1.00 0.00 H new ATOM 0 HA3 GLY B 1 -24.120 5.404 4.435 1.00 0.00 H new ATOM 559 N SER B 2 -23.068 3.204 3.111 1.00 0.00 N ATOM 560 CA SER B 2 -22.039 2.253 2.725 1.00 0.00 C ATOM 561 C SER B 2 -20.977 2.908 1.850 1.00 0.00 C ATOM 562 O SER B 2 -19.800 2.919 2.205 1.00 0.00 O ATOM 563 CB SER B 2 -22.673 1.070 1.993 1.00 0.00 C ATOM 564 OG SER B 2 -23.617 1.515 1.029 1.00 0.00 O ATOM 0 H SER B 2 -23.506 3.695 2.331 1.00 0.00 H new ATOM 0 HA SER B 2 -21.549 1.896 3.631 1.00 0.00 H new ATOM 0 HB2 SER B 2 -21.897 0.483 1.503 1.00 0.00 H new ATOM 0 HB3 SER B 2 -23.164 0.414 2.712 1.00 0.00 H new ATOM 0 HG SER B 2 -24.008 0.741 0.572 1.00 0.00 H new ATOM 570 N MET B 3 -21.418 3.484 0.736 1.00 0.00 N ATOM 571 CA MET B 3 -20.524 3.996 -0.305 1.00 0.00 C ATOM 572 C MET B 3 -19.383 4.846 0.251 1.00 0.00 C ATOM 573 O MET B 3 -18.219 4.520 0.046 1.00 0.00 O ATOM 574 CB MET B 3 -21.315 4.809 -1.333 1.00 0.00 C ATOM 575 CG MET B 3 -22.353 3.995 -2.090 1.00 0.00 C ATOM 576 SD MET B 3 -21.635 2.614 -3.004 1.00 0.00 S ATOM 577 CE MET B 3 -20.538 3.482 -4.126 1.00 0.00 C ATOM 0 H MET B 3 -22.408 3.611 0.526 1.00 0.00 H new ATOM 0 HA MET B 3 -20.075 3.124 -0.781 1.00 0.00 H new ATOM 0 HB2 MET B 3 -21.814 5.634 -0.824 1.00 0.00 H new ATOM 0 HB3 MET B 3 -20.620 5.249 -2.048 1.00 0.00 H new ATOM 0 HG2 MET B 3 -23.092 3.613 -1.385 1.00 0.00 H new ATOM 0 HG3 MET B 3 -22.883 4.647 -2.784 1.00 0.00 H new ATOM 0 HE1 MET B 3 -20.255 2.819 -4.944 1.00 0.00 H new ATOM 0 HE2 MET B 3 -21.048 4.358 -4.528 1.00 0.00 H new ATOM 0 HE3 MET B 3 -19.644 3.798 -3.589 1.00 0.00 H new ATOM 587 N LYS B 4 -19.710 5.913 0.971 1.00 0.00 N ATOM 588 CA LYS B 4 -18.698 6.866 1.433 1.00 0.00 C ATOM 589 C LYS B 4 -17.761 6.260 2.475 1.00 0.00 C ATOM 590 O LYS B 4 -16.617 6.681 2.605 1.00 0.00 O ATOM 591 CB LYS B 4 -19.368 8.120 1.998 1.00 0.00 C ATOM 592 CG LYS B 4 -20.044 8.978 0.940 1.00 0.00 C ATOM 593 CD LYS B 4 -19.029 9.591 -0.013 1.00 0.00 C ATOM 594 CE LYS B 4 -19.703 10.424 -1.091 1.00 0.00 C ATOM 595 NZ LYS B 4 -20.554 9.596 -1.987 1.00 0.00 N ATOM 0 H LYS B 4 -20.664 6.143 1.249 1.00 0.00 H new ATOM 0 HA LYS B 4 -18.092 7.134 0.567 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -20.109 7.823 2.741 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -18.620 8.719 2.516 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -20.753 8.371 0.377 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -20.616 9.770 1.423 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -18.334 10.215 0.548 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -18.442 8.799 -0.478 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -20.314 11.196 -0.623 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -18.943 10.934 -1.683 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -20.829 10.156 -2.819 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -20.021 8.758 -2.295 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -21.407 9.295 -1.474 1.00 0.00 H new ATOM 609 N GLN B 5 -18.233 5.248 3.181 1.00 0.00 N ATOM 610 CA GLN B 5 -17.477 4.644 4.269 1.00 0.00 C ATOM 611 C GLN B 5 -16.583 3.556 3.715 1.00 0.00 C ATOM 612 O GLN B 5 -15.416 3.439 4.087 1.00 0.00 O ATOM 613 CB GLN B 5 -18.406 4.069 5.346 1.00 0.00 C ATOM 614 CG GLN B 5 -19.097 5.122 6.203 1.00 0.00 C ATOM 615 CD GLN B 5 -20.143 5.927 5.452 1.00 0.00 C ATOM 616 OE1 GLN B 5 -20.350 7.109 5.729 1.00 0.00 O ATOM 617 NE2 GLN B 5 -20.837 5.289 4.522 1.00 0.00 N ATOM 0 H GLN B 5 -19.146 4.822 3.019 1.00 0.00 H new ATOM 0 HA GLN B 5 -16.869 5.418 4.738 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -19.166 3.454 4.864 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -17.828 3.411 5.995 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -19.570 4.632 7.054 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -18.346 5.802 6.604 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -20.638 4.309 4.319 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -21.571 5.777 4.008 1.00 0.00 H new ATOM 626 N LEU B 6 -17.140 2.770 2.808 1.00 0.00 N ATOM 627 CA LEU B 6 -16.371 1.782 2.080 1.00 0.00 C ATOM 628 C LEU B 6 -15.310 2.491 1.258 1.00 0.00 C ATOM 629 O LEU B 6 -14.136 2.130 1.297 1.00 0.00 O ATOM 630 CB LEU B 6 -17.280 0.953 1.163 1.00 0.00 C ATOM 631 CG LEU B 6 -17.928 -0.304 1.772 1.00 0.00 C ATOM 632 CD1 LEU B 6 -16.893 -1.396 2.009 1.00 0.00 C ATOM 633 CD2 LEU B 6 -18.652 0.024 3.069 1.00 0.00 C ATOM 0 H LEU B 6 -18.129 2.800 2.559 1.00 0.00 H new ATOM 0 HA LEU B 6 -15.898 1.103 2.790 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -18.076 1.602 0.799 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -16.697 0.647 0.295 1.00 0.00 H new ATOM 0 HG LEU B 6 -18.660 -0.673 1.054 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -17.380 -2.271 2.440 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -16.428 -1.669 1.062 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -16.129 -1.031 2.696 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -19.099 -0.883 3.475 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -17.942 0.432 3.789 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -19.434 0.758 2.874 1.00 0.00 H new ATOM 645 N GLU B 7 -15.736 3.527 0.536 1.00 0.00 N ATOM 646 CA GLU B 7 -14.824 4.356 -0.239 1.00 0.00 C ATOM 647 C GLU B 7 -13.775 4.981 0.672 1.00 0.00 C ATOM 648 O GLU B 7 -12.615 5.124 0.279 1.00 0.00 O ATOM 649 CB GLU B 7 -15.592 5.451 -0.986 1.00 0.00 C ATOM 650 CG GLU B 7 -14.729 6.288 -1.921 1.00 0.00 C ATOM 651 CD GLU B 7 -14.127 5.476 -3.052 1.00 0.00 C ATOM 652 OE1 GLU B 7 -14.782 5.349 -4.106 1.00 0.00 O ATOM 653 OE2 GLU B 7 -13.000 4.965 -2.881 1.00 0.00 O ATOM 0 H GLU B 7 -16.714 3.810 0.474 1.00 0.00 H new ATOM 0 HA GLU B 7 -14.323 3.723 -0.971 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -16.392 4.989 -1.564 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -16.064 6.110 -0.258 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -15.332 7.094 -2.340 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -13.927 6.754 -1.348 1.00 0.00 H new ATOM 660 N ASP B 8 -14.179 5.348 1.892 1.00 0.00 N ATOM 661 CA ASP B 8 -13.219 5.870 2.867 1.00 0.00 C ATOM 662 C ASP B 8 -12.132 4.841 3.146 1.00 0.00 C ATOM 663 O ASP B 8 -10.949 5.168 3.144 1.00 0.00 O ATOM 664 CB ASP B 8 -13.893 6.271 4.182 1.00 0.00 C ATOM 665 CG ASP B 8 -14.357 7.715 4.188 1.00 0.00 C ATOM 666 OD1 ASP B 8 -15.473 7.977 4.681 1.00 0.00 O ATOM 667 OD2 ASP B 8 -13.604 8.584 3.699 1.00 0.00 O ATOM 0 H ASP B 8 -15.143 5.295 2.222 1.00 0.00 H new ATOM 0 HA ASP B 8 -12.776 6.765 2.430 1.00 0.00 H new ATOM 0 HB2 ASP B 8 -14.748 5.619 4.361 1.00 0.00 H new ATOM 0 HB3 ASP B 8 -13.195 6.115 5.005 1.00 0.00 H new ATOM 672 N LYS B 9 -12.541 3.597 3.364 1.00 0.00 N ATOM 673 CA LYS B 9 -11.600 2.517 3.648 1.00 0.00 C ATOM 674 C LYS B 9 -10.634 2.312 2.484 1.00 0.00 C ATOM 675 O LYS B 9 -9.427 2.167 2.689 1.00 0.00 O ATOM 676 CB LYS B 9 -12.348 1.213 3.941 1.00 0.00 C ATOM 677 CG LYS B 9 -13.272 1.290 5.148 1.00 0.00 C ATOM 678 CD LYS B 9 -12.513 1.673 6.410 1.00 0.00 C ATOM 679 CE LYS B 9 -13.431 1.727 7.619 1.00 0.00 C ATOM 680 NZ LYS B 9 -14.009 0.397 7.942 1.00 0.00 N ATOM 0 H LYS B 9 -13.520 3.309 3.350 1.00 0.00 H new ATOM 0 HA LYS B 9 -11.025 2.800 4.529 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -12.934 0.937 3.064 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -11.621 0.417 4.102 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -14.058 2.021 4.959 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -13.761 0.327 5.295 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -11.716 0.951 6.589 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -12.038 2.644 6.269 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -12.875 2.099 8.480 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -14.237 2.436 7.430 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -14.445 0.428 8.886 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -14.731 0.151 7.235 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -13.256 -0.320 7.932 1.00 0.00 H new ATOM 694 N VAL B 10 -11.173 2.318 1.268 1.00 0.00 N ATOM 695 CA VAL B 10 -10.364 2.144 0.067 1.00 0.00 C ATOM 696 C VAL B 10 -9.294 3.234 -0.013 1.00 0.00 C ATOM 697 O VAL B 10 -8.115 2.956 -0.214 1.00 0.00 O ATOM 698 CB VAL B 10 -11.216 2.213 -1.227 1.00 0.00 C ATOM 699 CG1 VAL B 10 -10.438 1.680 -2.411 1.00 0.00 C ATOM 700 CG2 VAL B 10 -12.524 1.457 -1.097 1.00 0.00 C ATOM 0 H VAL B 10 -12.169 2.442 1.089 1.00 0.00 H new ATOM 0 HA VAL B 10 -9.908 1.156 0.138 1.00 0.00 H new ATOM 0 HB VAL B 10 -11.452 3.265 -1.389 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -11.055 1.738 -3.308 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -9.536 2.276 -2.552 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -10.162 0.642 -2.227 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -13.084 1.536 -2.029 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -12.318 0.408 -0.885 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -13.111 1.883 -0.284 1.00 0.00 H new ATOM 710 N GLU B 11 -9.721 4.476 0.168 1.00 0.00 N ATOM 711 CA GLU B 11 -8.839 5.629 0.034 1.00 0.00 C ATOM 712 C GLU B 11 -7.822 5.703 1.180 1.00 0.00 C ATOM 713 O GLU B 11 -6.719 6.210 0.996 1.00 0.00 O ATOM 714 CB GLU B 11 -9.681 6.911 -0.009 1.00 0.00 C ATOM 715 CG GLU B 11 -8.873 8.200 -0.077 1.00 0.00 C ATOM 716 CD GLU B 11 -8.096 8.343 -1.369 1.00 0.00 C ATOM 717 OE1 GLU B 11 -6.868 8.123 -1.350 1.00 0.00 O ATOM 718 OE2 GLU B 11 -8.718 8.670 -2.400 1.00 0.00 O ATOM 0 H GLU B 11 -10.683 4.713 0.411 1.00 0.00 H new ATOM 0 HA GLU B 11 -8.277 5.523 -0.894 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -10.342 6.866 -0.874 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -10.316 6.942 0.876 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -9.546 9.050 0.032 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -8.179 8.233 0.763 1.00 0.00 H new ATOM 725 N GLU B 12 -8.193 5.210 2.356 1.00 0.00 N ATOM 726 CA GLU B 12 -7.275 5.187 3.492 1.00 0.00 C ATOM 727 C GLU B 12 -6.096 4.279 3.187 1.00 0.00 C ATOM 728 O GLU B 12 -4.940 4.641 3.412 1.00 0.00 O ATOM 729 CB GLU B 12 -7.978 4.719 4.767 1.00 0.00 C ATOM 730 CG GLU B 12 -8.962 5.732 5.325 1.00 0.00 C ATOM 731 CD GLU B 12 -9.668 5.231 6.569 1.00 0.00 C ATOM 732 OE1 GLU B 12 -9.198 5.541 7.683 1.00 0.00 O ATOM 733 OE2 GLU B 12 -10.689 4.528 6.427 1.00 0.00 O ATOM 0 H GLU B 12 -9.117 4.823 2.549 1.00 0.00 H new ATOM 0 HA GLU B 12 -6.918 6.203 3.658 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -8.506 3.788 4.560 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -7.227 4.498 5.526 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -8.434 6.656 5.558 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -9.703 5.972 4.562 1.00 0.00 H new ATOM 740 N LEU B 13 -6.396 3.104 2.656 1.00 0.00 N ATOM 741 CA LEU B 13 -5.359 2.187 2.221 1.00 0.00 C ATOM 742 C LEU B 13 -4.601 2.794 1.056 1.00 0.00 C ATOM 743 O LEU B 13 -3.391 2.633 0.942 1.00 0.00 O ATOM 744 CB LEU B 13 -5.961 0.849 1.807 1.00 0.00 C ATOM 745 CG LEU B 13 -6.717 0.109 2.906 1.00 0.00 C ATOM 746 CD1 LEU B 13 -7.287 -1.181 2.358 1.00 0.00 C ATOM 747 CD2 LEU B 13 -5.807 -0.175 4.091 1.00 0.00 C ATOM 0 H LEU B 13 -7.348 2.765 2.517 1.00 0.00 H new ATOM 0 HA LEU B 13 -4.675 2.014 3.051 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -6.640 1.017 0.971 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -5.160 0.206 1.443 1.00 0.00 H new ATOM 0 HG LEU B 13 -7.535 0.741 3.252 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -7.826 -1.705 3.147 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -7.970 -0.958 1.539 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -6.476 -1.811 1.992 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -6.368 -0.703 4.862 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -4.968 -0.791 3.766 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -5.432 0.765 4.495 1.00 0.00 H new ATOM 759 N LEU B 14 -5.333 3.512 0.213 1.00 0.00 N ATOM 760 CA LEU B 14 -4.760 4.196 -0.938 1.00 0.00 C ATOM 761 C LEU B 14 -3.759 5.254 -0.496 1.00 0.00 C ATOM 762 O LEU B 14 -2.780 5.536 -1.188 1.00 0.00 O ATOM 763 CB LEU B 14 -5.867 4.872 -1.744 1.00 0.00 C ATOM 764 CG LEU B 14 -5.530 5.127 -3.210 1.00 0.00 C ATOM 765 CD1 LEU B 14 -5.400 3.810 -3.946 1.00 0.00 C ATOM 766 CD2 LEU B 14 -6.589 5.999 -3.862 1.00 0.00 C ATOM 0 H LEU B 14 -6.341 3.636 0.309 1.00 0.00 H new ATOM 0 HA LEU B 14 -4.249 3.454 -1.552 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -6.762 4.252 -1.695 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -6.111 5.823 -1.272 1.00 0.00 H new ATOM 0 HG LEU B 14 -4.578 5.656 -3.262 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -5.159 4.000 -4.992 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -4.606 3.217 -3.493 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -6.341 3.264 -3.884 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -6.328 6.168 -4.907 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -7.556 5.500 -3.805 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -6.643 6.956 -3.342 1.00 0.00 H new ATOM 778 N SER B 15 -4.019 5.831 0.662 1.00 0.00 N ATOM 779 CA SER B 15 -3.197 6.894 1.195 1.00 0.00 C ATOM 780 C SER B 15 -1.880 6.323 1.689 1.00 0.00 C ATOM 781 O SER B 15 -0.823 6.937 1.518 1.00 0.00 O ATOM 782 CB SER B 15 -3.938 7.617 2.324 1.00 0.00 C ATOM 783 OG SER B 15 -3.326 8.858 2.633 1.00 0.00 O ATOM 0 H SER B 15 -4.806 5.574 1.257 1.00 0.00 H new ATOM 0 HA SER B 15 -2.987 7.619 0.408 1.00 0.00 H new ATOM 0 HB2 SER B 15 -4.975 7.784 2.032 1.00 0.00 H new ATOM 0 HB3 SER B 15 -3.954 6.986 3.213 1.00 0.00 H new ATOM 0 HG SER B 15 -3.822 9.296 3.356 1.00 0.00 H new ATOM 789 N LYS B 16 -1.927 5.133 2.280 1.00 0.00 N ATOM 790 CA LYS B 16 -0.699 4.487 2.684 1.00 0.00 C ATOM 791 C LYS B 16 -0.069 3.796 1.485 1.00 0.00 C ATOM 792 O LYS B 16 1.138 3.700 1.412 1.00 0.00 O ATOM 793 CB LYS B 16 -0.890 3.529 3.870 1.00 0.00 C ATOM 794 CG LYS B 16 -1.576 2.208 3.561 1.00 0.00 C ATOM 795 CD LYS B 16 -1.794 1.416 4.844 1.00 0.00 C ATOM 796 CE LYS B 16 -2.213 -0.020 4.577 1.00 0.00 C ATOM 797 NZ LYS B 16 -2.578 -0.728 5.833 1.00 0.00 N ATOM 0 H LYS B 16 -2.781 4.614 2.483 1.00 0.00 H new ATOM 0 HA LYS B 16 -0.017 5.256 3.045 1.00 0.00 H new ATOM 0 HB2 LYS B 16 0.089 3.315 4.299 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -1.468 4.044 4.637 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -2.532 2.392 3.072 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -0.969 1.628 2.866 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -0.875 1.420 5.430 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -2.558 1.908 5.446 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -3.062 -0.030 3.893 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -1.399 -0.551 4.083 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -2.859 -1.705 5.612 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -1.760 -0.740 6.475 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -3.371 -0.235 6.291 1.00 0.00 H new ATOM 811 N ASN B 17 -0.891 3.348 0.530 1.00 0.00 N ATOM 812 CA ASN B 17 -0.378 2.914 -0.777 1.00 0.00 C ATOM 813 C ASN B 17 0.524 3.998 -1.323 1.00 0.00 C ATOM 814 O ASN B 17 1.616 3.725 -1.797 1.00 0.00 O ATOM 815 CB ASN B 17 -1.508 2.713 -1.801 1.00 0.00 C ATOM 816 CG ASN B 17 -2.290 1.426 -1.658 1.00 0.00 C ATOM 817 OD1 ASN B 17 -3.501 1.411 -1.843 1.00 0.00 O ATOM 818 ND2 ASN B 17 -1.613 0.328 -1.400 1.00 0.00 N ATOM 0 H ASN B 17 -1.903 3.276 0.634 1.00 0.00 H new ATOM 0 HA ASN B 17 0.144 1.969 -0.630 1.00 0.00 H new ATOM 0 HB2 ASN B 17 -2.201 3.550 -1.721 1.00 0.00 H new ATOM 0 HB3 ASN B 17 -1.079 2.749 -2.802 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -2.096 -0.569 -1.349 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -0.605 0.374 -1.251 1.00 0.00 H new ATOM 825 N TYR B 18 0.039 5.235 -1.243 1.00 0.00 N ATOM 826 CA TYR B 18 0.778 6.383 -1.751 1.00 0.00 C ATOM 827 C TYR B 18 2.122 6.529 -1.041 1.00 0.00 C ATOM 828 O TYR B 18 3.176 6.421 -1.665 1.00 0.00 O ATOM 829 CB TYR B 18 -0.052 7.660 -1.581 1.00 0.00 C ATOM 830 CG TYR B 18 0.608 8.903 -2.138 1.00 0.00 C ATOM 831 CD1 TYR B 18 1.293 9.783 -1.309 1.00 0.00 C ATOM 832 CD2 TYR B 18 0.546 9.194 -3.493 1.00 0.00 C ATOM 833 CE1 TYR B 18 1.892 10.918 -1.815 1.00 0.00 C ATOM 834 CE2 TYR B 18 1.144 10.326 -4.007 1.00 0.00 C ATOM 835 CZ TYR B 18 1.817 11.185 -3.164 1.00 0.00 C ATOM 836 OH TYR B 18 2.413 12.318 -3.671 1.00 0.00 O ATOM 0 H TYR B 18 -0.865 5.466 -0.830 1.00 0.00 H new ATOM 0 HA TYR B 18 0.972 6.221 -2.811 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -1.016 7.522 -2.071 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -0.253 7.812 -0.520 1.00 0.00 H new ATOM 0 HD1 TYR B 18 1.358 9.575 -0.251 1.00 0.00 H new ATOM 0 HD2 TYR B 18 0.021 8.523 -4.157 1.00 0.00 H new ATOM 0 HE1 TYR B 18 2.417 11.594 -1.156 1.00 0.00 H new ATOM 0 HE2 TYR B 18 1.085 10.538 -5.064 1.00 0.00 H new ATOM 0 HH TYR B 18 2.269 12.358 -4.640 1.00 0.00 H new ATOM 846 N HIS B 19 2.078 6.748 0.268 1.00 0.00 N ATOM 847 CA HIS B 19 3.293 7.012 1.038 1.00 0.00 C ATOM 848 C HIS B 19 4.224 5.805 1.062 1.00 0.00 C ATOM 849 O HIS B 19 5.434 5.948 0.914 1.00 0.00 O ATOM 850 CB HIS B 19 2.950 7.445 2.466 1.00 0.00 C ATOM 851 CG HIS B 19 2.412 8.840 2.552 1.00 0.00 C ATOM 852 ND1 HIS B 19 3.206 9.935 2.815 1.00 0.00 N ATOM 853 CD2 HIS B 19 1.155 9.319 2.399 1.00 0.00 C ATOM 854 CE1 HIS B 19 2.460 11.024 2.821 1.00 0.00 C ATOM 855 NE2 HIS B 19 1.212 10.679 2.569 1.00 0.00 N ATOM 0 H HIS B 19 1.219 6.749 0.819 1.00 0.00 H new ATOM 0 HA HIS B 19 3.818 7.827 0.539 1.00 0.00 H new ATOM 0 HB2 HIS B 19 2.216 6.754 2.881 1.00 0.00 H new ATOM 0 HB3 HIS B 19 3.844 7.370 3.085 1.00 0.00 H new ATOM 0 HD2 HIS B 19 0.271 8.738 2.183 1.00 0.00 H new ATOM 0 HE1 HIS B 19 2.812 12.029 3.002 1.00 0.00 H new ATOM 0 HE2 HIS B 19 0.420 11.318 2.510 1.00 0.00 H new ATOM 864 N LEU B 20 3.651 4.621 1.230 1.00 0.00 N ATOM 865 CA LEU B 20 4.408 3.386 1.267 1.00 0.00 C ATOM 866 C LEU B 20 5.029 3.091 -0.111 1.00 0.00 C ATOM 867 O LEU B 20 6.128 2.541 -0.197 1.00 0.00 O ATOM 868 CB LEU B 20 3.467 2.278 1.784 1.00 0.00 C ATOM 869 CG LEU B 20 3.811 0.842 1.455 1.00 0.00 C ATOM 870 CD1 LEU B 20 5.240 0.531 1.801 1.00 0.00 C ATOM 871 CD2 LEU B 20 2.909 -0.118 2.196 1.00 0.00 C ATOM 0 H LEU B 20 2.645 4.494 1.344 1.00 0.00 H new ATOM 0 HA LEU B 20 5.256 3.453 1.948 1.00 0.00 H new ATOM 0 HB2 LEU B 20 3.411 2.367 2.869 1.00 0.00 H new ATOM 0 HB3 LEU B 20 2.469 2.480 1.395 1.00 0.00 H new ATOM 0 HG LEU B 20 3.666 0.719 0.382 1.00 0.00 H new ATOM 0 HD11 LEU B 20 5.457 -0.508 1.553 1.00 0.00 H new ATOM 0 HD12 LEU B 20 5.902 1.185 1.234 1.00 0.00 H new ATOM 0 HD13 LEU B 20 5.399 0.690 2.868 1.00 0.00 H new ATOM 0 HD21 LEU B 20 3.179 -1.142 1.940 1.00 0.00 H new ATOM 0 HD22 LEU B 20 3.024 0.030 3.270 1.00 0.00 H new ATOM 0 HD23 LEU B 20 1.872 0.065 1.913 1.00 0.00 H new ATOM 883 N GLU B 21 4.357 3.505 -1.185 1.00 0.00 N ATOM 884 CA GLU B 21 4.947 3.420 -2.521 1.00 0.00 C ATOM 885 C GLU B 21 6.181 4.312 -2.609 1.00 0.00 C ATOM 886 O GLU B 21 7.207 3.920 -3.173 1.00 0.00 O ATOM 887 CB GLU B 21 3.934 3.816 -3.602 1.00 0.00 C ATOM 888 CG GLU B 21 3.344 2.636 -4.351 1.00 0.00 C ATOM 889 CD GLU B 21 2.298 3.056 -5.361 1.00 0.00 C ATOM 890 OE1 GLU B 21 2.626 3.116 -6.563 1.00 0.00 O ATOM 891 OE2 GLU B 21 1.148 3.322 -4.951 1.00 0.00 O ATOM 0 H GLU B 21 3.416 3.898 -1.158 1.00 0.00 H new ATOM 0 HA GLU B 21 5.240 2.384 -2.694 1.00 0.00 H new ATOM 0 HB2 GLU B 21 3.125 4.381 -3.139 1.00 0.00 H new ATOM 0 HB3 GLU B 21 4.420 4.481 -4.316 1.00 0.00 H new ATOM 0 HG2 GLU B 21 4.142 2.098 -4.862 1.00 0.00 H new ATOM 0 HG3 GLU B 21 2.898 1.943 -3.638 1.00 0.00 H new ATOM 898 N ASN B 22 6.084 5.507 -2.033 1.00 0.00 N ATOM 899 CA ASN B 22 7.216 6.426 -1.986 1.00 0.00 C ATOM 900 C ASN B 22 8.320 5.874 -1.092 1.00 0.00 C ATOM 901 O ASN B 22 9.502 6.115 -1.336 1.00 0.00 O ATOM 902 CB ASN B 22 6.791 7.810 -1.483 1.00 0.00 C ATOM 903 CG ASN B 22 5.972 8.589 -2.497 1.00 0.00 C ATOM 904 OD1 ASN B 22 4.744 8.543 -2.495 1.00 0.00 O ATOM 905 ND2 ASN B 22 6.649 9.312 -3.376 1.00 0.00 N ATOM 0 H ASN B 22 5.234 5.861 -1.593 1.00 0.00 H new ATOM 0 HA ASN B 22 7.595 6.529 -3.003 1.00 0.00 H new ATOM 0 HB2 ASN B 22 6.210 7.694 -0.568 1.00 0.00 H new ATOM 0 HB3 ASN B 22 7.681 8.385 -1.225 1.00 0.00 H new ATOM 0 HD21 ASN B 22 6.151 9.855 -4.082 1.00 0.00 H new ATOM 0 HD22 ASN B 22 7.669 9.326 -3.347 1.00 0.00 H new ATOM 912 N GLU B 23 7.929 5.130 -0.058 1.00 0.00 N ATOM 913 CA GLU B 23 8.894 4.515 0.847 1.00 0.00 C ATOM 914 C GLU B 23 9.792 3.548 0.088 1.00 0.00 C ATOM 915 O GLU B 23 11.015 3.602 0.215 1.00 0.00 O ATOM 916 CB GLU B 23 8.188 3.783 1.992 1.00 0.00 C ATOM 917 CG GLU B 23 7.340 4.684 2.877 1.00 0.00 C ATOM 918 CD GLU B 23 8.142 5.781 3.550 1.00 0.00 C ATOM 919 OE1 GLU B 23 8.339 6.843 2.925 1.00 0.00 O ATOM 920 OE2 GLU B 23 8.565 5.578 4.708 1.00 0.00 O ATOM 0 H GLU B 23 6.954 4.940 0.172 1.00 0.00 H new ATOM 0 HA GLU B 23 9.506 5.310 1.274 1.00 0.00 H new ATOM 0 HB2 GLU B 23 7.553 3.002 1.573 1.00 0.00 H new ATOM 0 HB3 GLU B 23 8.938 3.287 2.609 1.00 0.00 H new ATOM 0 HG2 GLU B 23 6.551 5.136 2.276 1.00 0.00 H new ATOM 0 HG3 GLU B 23 6.852 4.078 3.640 1.00 0.00 H new ATOM 927 N VAL B 24 9.183 2.674 -0.713 1.00 0.00 N ATOM 928 CA VAL B 24 9.951 1.741 -1.529 1.00 0.00 C ATOM 929 C VAL B 24 10.839 2.506 -2.508 1.00 0.00 C ATOM 930 O VAL B 24 12.011 2.178 -2.685 1.00 0.00 O ATOM 931 CB VAL B 24 9.050 0.756 -2.320 1.00 0.00 C ATOM 932 CG1 VAL B 24 9.856 0.004 -3.363 1.00 0.00 C ATOM 933 CG2 VAL B 24 8.421 -0.243 -1.392 1.00 0.00 C ATOM 0 H VAL B 24 8.171 2.594 -0.812 1.00 0.00 H new ATOM 0 HA VAL B 24 10.561 1.154 -0.843 1.00 0.00 H new ATOM 0 HB VAL B 24 8.275 1.344 -2.812 1.00 0.00 H new ATOM 0 HG11 VAL B 24 9.202 -0.680 -3.904 1.00 0.00 H new ATOM 0 HG12 VAL B 24 10.298 0.714 -4.063 1.00 0.00 H new ATOM 0 HG13 VAL B 24 10.648 -0.562 -2.872 1.00 0.00 H new ATOM 0 HG21 VAL B 24 7.793 -0.926 -1.964 1.00 0.00 H new ATOM 0 HG22 VAL B 24 9.202 -0.809 -0.883 1.00 0.00 H new ATOM 0 HG23 VAL B 24 7.812 0.279 -0.654 1.00 0.00 H new ATOM 943 N ALA B 25 10.269 3.541 -3.122 1.00 0.00 N ATOM 944 CA ALA B 25 10.987 4.355 -4.098 1.00 0.00 C ATOM 945 C ALA B 25 12.266 4.933 -3.502 1.00 0.00 C ATOM 946 O ALA B 25 13.327 4.883 -4.128 1.00 0.00 O ATOM 947 CB ALA B 25 10.091 5.476 -4.615 1.00 0.00 C ATOM 0 H ALA B 25 9.306 3.836 -2.959 1.00 0.00 H new ATOM 0 HA ALA B 25 11.265 3.711 -4.932 1.00 0.00 H new ATOM 0 HB1 ALA B 25 10.640 6.075 -5.342 1.00 0.00 H new ATOM 0 HB2 ALA B 25 9.209 5.047 -5.090 1.00 0.00 H new ATOM 0 HB3 ALA B 25 9.783 6.109 -3.783 1.00 0.00 H new ATOM 953 N ARG B 26 12.163 5.476 -2.292 1.00 0.00 N ATOM 954 CA ARG B 26 13.324 6.019 -1.598 1.00 0.00 C ATOM 955 C ARG B 26 14.370 4.934 -1.379 1.00 0.00 C ATOM 956 O ARG B 26 15.490 5.029 -1.880 1.00 0.00 O ATOM 957 CB ARG B 26 12.926 6.616 -0.246 1.00 0.00 C ATOM 958 CG ARG B 26 12.069 7.864 -0.346 1.00 0.00 C ATOM 959 CD ARG B 26 11.801 8.450 1.031 1.00 0.00 C ATOM 960 NE ARG B 26 11.066 9.712 0.964 1.00 0.00 N ATOM 961 CZ ARG B 26 11.379 10.794 1.676 1.00 0.00 C ATOM 962 NH1 ARG B 26 12.437 10.786 2.483 1.00 0.00 N ATOM 963 NH2 ARG B 26 10.638 11.890 1.576 1.00 0.00 N ATOM 0 H ARG B 26 11.288 5.551 -1.773 1.00 0.00 H new ATOM 0 HA ARG B 26 13.743 6.807 -2.223 1.00 0.00 H new ATOM 0 HB2 ARG B 26 12.385 5.862 0.326 1.00 0.00 H new ATOM 0 HB3 ARG B 26 13.830 6.854 0.314 1.00 0.00 H new ATOM 0 HG2 ARG B 26 12.570 8.605 -0.970 1.00 0.00 H new ATOM 0 HG3 ARG B 26 11.124 7.623 -0.833 1.00 0.00 H new ATOM 0 HD2 ARG B 26 11.234 7.733 1.624 1.00 0.00 H new ATOM 0 HD3 ARG B 26 12.748 8.611 1.546 1.00 0.00 H new ATOM 0 HE ARG B 26 10.265 9.768 0.334 1.00 0.00 H new ATOM 0 HH11 ARG B 26 13.014 9.948 2.559 1.00 0.00 H new ATOM 0 HH12 ARG B 26 12.671 11.618 3.025 1.00 0.00 H new ATOM 0 HH21 ARG B 26 9.829 11.904 0.954 1.00 0.00 H new ATOM 0 HH22 ARG B 26 10.877 12.719 2.121 1.00 0.00 H new ATOM 977 N LEU B 27 13.975 3.892 -0.657 1.00 0.00 N ATOM 978 CA LEU B 27 14.878 2.801 -0.292 1.00 0.00 C ATOM 979 C LEU B 27 15.559 2.203 -1.518 1.00 0.00 C ATOM 980 O LEU B 27 16.742 1.869 -1.480 1.00 0.00 O ATOM 981 CB LEU B 27 14.113 1.691 0.429 1.00 0.00 C ATOM 982 CG LEU B 27 13.852 1.872 1.932 1.00 0.00 C ATOM 983 CD1 LEU B 27 13.435 3.291 2.278 1.00 0.00 C ATOM 984 CD2 LEU B 27 12.778 0.896 2.369 1.00 0.00 C ATOM 0 H LEU B 27 13.024 3.777 -0.308 1.00 0.00 H new ATOM 0 HA LEU B 27 15.637 3.222 0.367 1.00 0.00 H new ATOM 0 HB2 LEU B 27 13.150 1.568 -0.067 1.00 0.00 H new ATOM 0 HB3 LEU B 27 14.663 0.760 0.293 1.00 0.00 H new ATOM 0 HG LEU B 27 14.784 1.674 2.462 1.00 0.00 H new ATOM 0 HD11 LEU B 27 13.262 3.368 3.351 1.00 0.00 H new ATOM 0 HD12 LEU B 27 14.225 3.984 1.987 1.00 0.00 H new ATOM 0 HD13 LEU B 27 12.518 3.541 1.744 1.00 0.00 H new ATOM 0 HD21 LEU B 27 12.587 1.018 3.435 1.00 0.00 H new ATOM 0 HD22 LEU B 27 11.862 1.090 1.812 1.00 0.00 H new ATOM 0 HD23 LEU B 27 13.112 -0.123 2.175 1.00 0.00 H new ATOM 996 N LYS B 28 14.799 2.070 -2.599 1.00 0.00 N ATOM 997 CA LYS B 28 15.293 1.460 -3.826 1.00 0.00 C ATOM 998 C LYS B 28 16.517 2.214 -4.348 1.00 0.00 C ATOM 999 O LYS B 28 17.490 1.608 -4.803 1.00 0.00 O ATOM 1000 CB LYS B 28 14.192 1.461 -4.889 1.00 0.00 C ATOM 1001 CG LYS B 28 14.277 0.298 -5.861 1.00 0.00 C ATOM 1002 CD LYS B 28 14.015 -1.020 -5.154 1.00 0.00 C ATOM 1003 CE LYS B 28 14.051 -2.200 -6.105 1.00 0.00 C ATOM 1004 NZ LYS B 28 15.358 -2.323 -6.798 1.00 0.00 N ATOM 0 H LYS B 28 13.829 2.380 -2.649 1.00 0.00 H new ATOM 0 HA LYS B 28 15.584 0.432 -3.608 1.00 0.00 H new ATOM 0 HB2 LYS B 28 13.221 1.438 -4.393 1.00 0.00 H new ATOM 0 HB3 LYS B 28 14.242 2.395 -5.449 1.00 0.00 H new ATOM 0 HG2 LYS B 28 13.552 0.435 -6.663 1.00 0.00 H new ATOM 0 HG3 LYS B 28 15.264 0.277 -6.324 1.00 0.00 H new ATOM 0 HD2 LYS B 28 14.760 -1.164 -4.371 1.00 0.00 H new ATOM 0 HD3 LYS B 28 13.042 -0.980 -4.665 1.00 0.00 H new ATOM 0 HE2 LYS B 28 13.848 -3.117 -5.551 1.00 0.00 H new ATOM 0 HE3 LYS B 28 13.258 -2.092 -6.845 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 15.342 -3.153 -7.425 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 15.534 -1.467 -7.362 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 16.115 -2.436 -6.094 1.00 0.00 H new ATOM 1018 N LYS B 29 16.466 3.537 -4.252 1.00 0.00 N ATOM 1019 CA LYS B 29 17.559 4.388 -4.708 1.00 0.00 C ATOM 1020 C LYS B 29 18.724 4.337 -3.718 1.00 0.00 C ATOM 1021 O LYS B 29 19.883 4.513 -4.094 1.00 0.00 O ATOM 1022 CB LYS B 29 17.046 5.826 -4.897 1.00 0.00 C ATOM 1023 CG LYS B 29 18.081 6.819 -5.422 1.00 0.00 C ATOM 1024 CD LYS B 29 18.818 7.537 -4.296 1.00 0.00 C ATOM 1025 CE LYS B 29 17.907 8.501 -3.547 1.00 0.00 C ATOM 1026 NZ LYS B 29 17.366 9.562 -4.438 1.00 0.00 N ATOM 0 H LYS B 29 15.674 4.047 -3.860 1.00 0.00 H new ATOM 0 HA LYS B 29 17.927 4.024 -5.667 1.00 0.00 H new ATOM 0 HB2 LYS B 29 16.202 5.806 -5.586 1.00 0.00 H new ATOM 0 HB3 LYS B 29 16.669 6.189 -3.941 1.00 0.00 H new ATOM 0 HG2 LYS B 29 18.802 6.292 -6.047 1.00 0.00 H new ATOM 0 HG3 LYS B 29 17.586 7.555 -6.056 1.00 0.00 H new ATOM 0 HD2 LYS B 29 19.221 6.802 -3.599 1.00 0.00 H new ATOM 0 HD3 LYS B 29 19.666 8.084 -4.708 1.00 0.00 H new ATOM 0 HE2 LYS B 29 17.081 7.947 -3.100 1.00 0.00 H new ATOM 0 HE3 LYS B 29 18.461 8.962 -2.729 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 16.998 10.346 -3.861 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 18.123 9.914 -5.058 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 16.598 9.169 -5.019 1.00 0.00 H new ATOM 1040 N LEU B 30 18.408 4.070 -2.459 1.00 0.00 N ATOM 1041 CA LEU B 30 19.416 3.964 -1.411 1.00 0.00 C ATOM 1042 C LEU B 30 20.176 2.652 -1.528 1.00 0.00 C ATOM 1043 O LEU B 30 21.368 2.585 -1.227 1.00 0.00 O ATOM 1044 CB LEU B 30 18.779 4.085 -0.024 1.00 0.00 C ATOM 1045 CG LEU B 30 18.647 5.513 0.513 1.00 0.00 C ATOM 1046 CD1 LEU B 30 17.664 6.331 -0.306 1.00 0.00 C ATOM 1047 CD2 LEU B 30 18.240 5.494 1.978 1.00 0.00 C ATOM 0 H LEU B 30 17.452 3.921 -2.135 1.00 0.00 H new ATOM 0 HA LEU B 30 20.119 4.787 -1.538 1.00 0.00 H new ATOM 0 HB2 LEU B 30 17.787 3.634 -0.057 1.00 0.00 H new ATOM 0 HB3 LEU B 30 19.371 3.502 0.682 1.00 0.00 H new ATOM 0 HG LEU B 30 19.623 5.991 0.427 1.00 0.00 H new ATOM 0 HD11 LEU B 30 17.597 7.338 0.105 1.00 0.00 H new ATOM 0 HD12 LEU B 30 18.006 6.383 -1.340 1.00 0.00 H new ATOM 0 HD13 LEU B 30 16.682 5.860 -0.273 1.00 0.00 H new ATOM 0 HD21 LEU B 30 18.151 6.517 2.344 1.00 0.00 H new ATOM 0 HD22 LEU B 30 17.281 4.986 2.083 1.00 0.00 H new ATOM 0 HD23 LEU B 30 18.996 4.966 2.559 1.00 0.00 H new ATOM 1059 N VAL B 31 19.483 1.609 -1.967 1.00 0.00 N ATOM 1060 CA VAL B 31 20.140 0.352 -2.301 1.00 0.00 C ATOM 1061 C VAL B 31 20.900 0.533 -3.608 1.00 0.00 C ATOM 1062 O VAL B 31 21.892 -0.143 -3.884 1.00 0.00 O ATOM 1063 CB VAL B 31 19.131 -0.814 -2.441 1.00 0.00 C ATOM 1064 CG1 VAL B 31 19.848 -2.125 -2.731 1.00 0.00 C ATOM 1065 CG2 VAL B 31 18.280 -0.944 -1.188 1.00 0.00 C ATOM 0 H VAL B 31 18.472 1.608 -2.100 1.00 0.00 H new ATOM 0 HA VAL B 31 20.821 0.094 -1.489 1.00 0.00 H new ATOM 0 HB VAL B 31 18.476 -0.589 -3.283 1.00 0.00 H new ATOM 0 HG11 VAL B 31 19.116 -2.927 -2.825 1.00 0.00 H new ATOM 0 HG12 VAL B 31 20.409 -2.035 -3.661 1.00 0.00 H new ATOM 0 HG13 VAL B 31 20.534 -2.353 -1.915 1.00 0.00 H new ATOM 0 HG21 VAL B 31 17.578 -1.769 -1.309 1.00 0.00 H new ATOM 0 HG22 VAL B 31 18.923 -1.137 -0.330 1.00 0.00 H new ATOM 0 HG23 VAL B 31 17.727 -0.019 -1.026 1.00 0.00 H new ATOM 1075 N GLY B 32 20.423 1.486 -4.397 1.00 0.00 N ATOM 1076 CA GLY B 32 21.079 1.843 -5.631 1.00 0.00 C ATOM 1077 C GLY B 32 20.614 0.993 -6.788 1.00 0.00 C ATOM 1078 O GLY B 32 21.376 0.730 -7.719 1.00 0.00 O ATOM 0 H GLY B 32 19.580 2.024 -4.196 1.00 0.00 H new ATOM 0 HA2 GLY B 32 20.887 2.893 -5.853 1.00 0.00 H new ATOM 0 HA3 GLY B 32 22.157 1.735 -5.512 1.00 0.00 H new ATOM 1082 N GLU B 33 19.364 0.561 -6.736 1.00 0.00 N ATOM 1083 CA GLU B 33 18.815 -0.292 -7.778 1.00 0.00 C ATOM 1084 C GLU B 33 17.536 0.315 -8.343 1.00 0.00 C ATOM 1085 O GLU B 33 16.443 -0.196 -8.027 1.00 0.00 O ATOM 1086 CB GLU B 33 18.539 -1.697 -7.231 1.00 0.00 C ATOM 1087 CG GLU B 33 19.791 -2.472 -6.847 1.00 0.00 C ATOM 1088 CD GLU B 33 20.655 -2.825 -8.044 1.00 0.00 C ATOM 1089 OE1 GLU B 33 21.604 -2.070 -8.335 1.00 0.00 O ATOM 1090 OE2 GLU B 33 20.381 -3.860 -8.687 1.00 0.00 O ATOM 1091 OXT GLU B 33 17.631 1.316 -9.084 1.00 0.00 O ATOM 0 H GLU B 33 18.712 0.786 -5.985 1.00 0.00 H new ATOM 0 HA GLU B 33 19.548 -0.370 -8.581 1.00 0.00 H new ATOM 0 HB2 GLU B 33 17.894 -1.614 -6.357 1.00 0.00 H new ATOM 0 HB3 GLU B 33 17.989 -2.265 -7.981 1.00 0.00 H new ATOM 0 HG2 GLU B 33 20.377 -1.881 -6.143 1.00 0.00 H new ATOM 0 HG3 GLU B 33 19.502 -3.387 -6.331 1.00 0.00 H new TER 1098 GLU B 33