USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=20 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 2 SER OG : rot 131:sc= 0.155 USER MOD Set 1.2: B 5 GLN :FLIP amide:sc= 0.147 F(o=-1.2,f=0.3) USER MOD Set 2.1: A 17 ASN : amide:sc= -1.54 K(o=0.012,f=-7.3!) USER MOD Set 2.2: B 16 LYS NZ :NH3+ 167:sc= 1.55 (180deg=0.535) USER MOD Set 3.1: A 16 LYS NZ :NH3+ 164:sc= 1.48 (180deg=0.489) USER MOD Set 3.2: B 17 ASN : amide:sc= -1.85 K(o=-0.37,f=-7!) USER MOD Set 4.1: A 2 SER OG : rot 131:sc= 0.125 USER MOD Set 4.2: A 5 GLN :FLIP amide:sc= 0.121 F(o=-1.2,f=0.25) USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.0907 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 131:sc= -0.1 (180deg=-0.196) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.115) USER MOD Single : A 29 LYS NZ :NH3+ -140:sc= -0.675 (180deg=-2.79!) USER MOD Single : B 1 GLY N :NH3+ -121:sc= 0.0961 (180deg=0) USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 LYS NZ :NH3+ 170:sc= -0.0767 (180deg=-0.154) USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 22 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : B 28 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.11) USER MOD Single : B 29 LYS NZ :NH3+ -140:sc= -0.673 (180deg=-2.77!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.538 -5.035 -5.836 1.00 0.00 N ATOM 2 CA GLY A 1 19.044 -3.639 -5.811 1.00 0.00 C ATOM 3 C GLY A 1 20.164 -2.648 -5.592 1.00 0.00 C ATOM 4 O GLY A 1 21.319 -3.038 -5.407 1.00 0.00 O ATOM 0 H1 GLY A 1 19.296 -5.472 -6.748 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.571 -5.040 -5.712 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.094 -5.574 -5.065 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.540 -3.415 -6.751 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.303 -3.530 -5.019 1.00 0.00 H new ATOM 10 N SER A 2 19.832 -1.367 -5.619 1.00 0.00 N ATOM 11 CA SER A 2 20.812 -0.315 -5.406 1.00 0.00 C ATOM 12 C SER A 2 20.420 0.524 -4.196 1.00 0.00 C ATOM 13 O SER A 2 19.235 0.744 -3.957 1.00 0.00 O ATOM 14 CB SER A 2 20.915 0.560 -6.651 1.00 0.00 C ATOM 15 OG SER A 2 21.153 -0.228 -7.808 1.00 0.00 O ATOM 0 H SER A 2 18.884 -1.030 -5.788 1.00 0.00 H new ATOM 0 HA SER A 2 21.786 -0.766 -5.216 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.994 1.129 -6.777 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.722 1.283 -6.526 1.00 0.00 H new ATOM 0 HG SER A 2 20.528 0.034 -8.516 1.00 0.00 H new ATOM 21 N MET A 3 21.417 0.993 -3.450 1.00 0.00 N ATOM 22 CA MET A 3 21.193 1.649 -2.160 1.00 0.00 C ATOM 23 C MET A 3 20.142 2.758 -2.246 1.00 0.00 C ATOM 24 O MET A 3 19.130 2.716 -1.541 1.00 0.00 O ATOM 25 CB MET A 3 22.510 2.219 -1.619 1.00 0.00 C ATOM 26 CG MET A 3 22.418 2.696 -0.180 1.00 0.00 C ATOM 27 SD MET A 3 22.179 1.338 0.981 1.00 0.00 S ATOM 28 CE MET A 3 22.062 2.226 2.528 1.00 0.00 C ATOM 0 H MET A 3 22.399 0.931 -3.719 1.00 0.00 H new ATOM 0 HA MET A 3 20.813 0.890 -1.476 1.00 0.00 H new ATOM 0 HB2 MET A 3 23.284 1.455 -1.691 1.00 0.00 H new ATOM 0 HB3 MET A 3 22.823 3.051 -2.250 1.00 0.00 H new ATOM 0 HG2 MET A 3 23.328 3.236 0.080 1.00 0.00 H new ATOM 0 HG3 MET A 3 21.592 3.400 -0.086 1.00 0.00 H new ATOM 0 HE1 MET A 3 21.913 1.518 3.343 1.00 0.00 H new ATOM 0 HE2 MET A 3 22.982 2.785 2.697 1.00 0.00 H new ATOM 0 HE3 MET A 3 21.220 2.917 2.488 1.00 0.00 H new ATOM 38 N LYS A 4 20.366 3.735 -3.121 1.00 0.00 N ATOM 39 CA LYS A 4 19.447 4.864 -3.240 1.00 0.00 C ATOM 40 C LYS A 4 18.100 4.440 -3.821 1.00 0.00 C ATOM 41 O LYS A 4 17.057 4.936 -3.399 1.00 0.00 O ATOM 42 CB LYS A 4 20.050 6.003 -4.071 1.00 0.00 C ATOM 43 CG LYS A 4 20.952 6.935 -3.271 1.00 0.00 C ATOM 44 CD LYS A 4 22.288 6.295 -2.931 1.00 0.00 C ATOM 45 CE LYS A 4 23.203 6.242 -4.143 1.00 0.00 C ATOM 46 NZ LYS A 4 24.490 5.564 -3.841 1.00 0.00 N ATOM 0 H LYS A 4 21.167 3.769 -3.752 1.00 0.00 H new ATOM 0 HA LYS A 4 19.278 5.234 -2.229 1.00 0.00 H new ATOM 0 HB2 LYS A 4 20.623 5.576 -4.894 1.00 0.00 H new ATOM 0 HB3 LYS A 4 19.242 6.585 -4.513 1.00 0.00 H new ATOM 0 HG2 LYS A 4 21.124 7.848 -3.841 1.00 0.00 H new ATOM 0 HG3 LYS A 4 20.446 7.225 -2.350 1.00 0.00 H new ATOM 0 HD2 LYS A 4 22.771 6.860 -2.133 1.00 0.00 H new ATOM 0 HD3 LYS A 4 22.124 5.286 -2.553 1.00 0.00 H new ATOM 0 HE2 LYS A 4 22.699 5.718 -4.955 1.00 0.00 H new ATOM 0 HE3 LYS A 4 23.401 7.255 -4.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 25.084 5.550 -4.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 24.984 6.078 -3.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 24.304 4.588 -3.532 1.00 0.00 H new ATOM 60 N GLN A 5 18.111 3.510 -4.768 1.00 0.00 N ATOM 61 CA GLN A 5 16.868 3.043 -5.370 1.00 0.00 C ATOM 62 C GLN A 5 16.004 2.311 -4.348 1.00 0.00 C ATOM 63 O GLN A 5 14.780 2.302 -4.458 1.00 0.00 O ATOM 64 CB GLN A 5 17.138 2.139 -6.575 1.00 0.00 C ATOM 65 CG GLN A 5 17.747 2.869 -7.760 1.00 0.00 C ATOM 66 CD GLN A 5 17.778 2.023 -9.018 1.00 0.00 C ATOM 67 OE1 GLN A 5 18.868 1.304 -9.228 1.00 0.00 O flip ATOM 68 NE2 GLN A 5 16.828 2.025 -9.802 1.00 0.00 N flip ATOM 0 H GLN A 5 18.955 3.069 -5.132 1.00 0.00 H new ATOM 0 HA GLN A 5 16.326 3.923 -5.717 1.00 0.00 H new ATOM 0 HB2 GLN A 5 17.808 1.334 -6.272 1.00 0.00 H new ATOM 0 HB3 GLN A 5 16.202 1.675 -6.887 1.00 0.00 H new ATOM 0 HG2 GLN A 5 17.177 3.778 -7.953 1.00 0.00 H new ATOM 0 HG3 GLN A 5 18.762 3.176 -7.509 1.00 0.00 H new ATOM 0 HE21 GLN A 5 16.005 2.594 -9.604 1.00 0.00 H new ATOM 0 HE22 GLN A 5 16.865 1.458 -10.649 1.00 0.00 H new ATOM 77 N LEU A 6 16.640 1.715 -3.346 1.00 0.00 N ATOM 78 CA LEU A 6 15.915 1.003 -2.301 1.00 0.00 C ATOM 79 C LEU A 6 15.237 1.982 -1.348 1.00 0.00 C ATOM 80 O LEU A 6 14.046 1.855 -1.071 1.00 0.00 O ATOM 81 CB LEU A 6 16.843 0.066 -1.519 1.00 0.00 C ATOM 82 CG LEU A 6 17.459 -1.082 -2.325 1.00 0.00 C ATOM 83 CD1 LEU A 6 18.411 -1.884 -1.456 1.00 0.00 C ATOM 84 CD2 LEU A 6 16.372 -1.985 -2.890 1.00 0.00 C ATOM 0 H LEU A 6 17.654 1.711 -3.235 1.00 0.00 H new ATOM 0 HA LEU A 6 15.149 0.399 -2.787 1.00 0.00 H new ATOM 0 HB2 LEU A 6 17.651 0.659 -1.090 1.00 0.00 H new ATOM 0 HB3 LEU A 6 16.283 -0.359 -0.686 1.00 0.00 H new ATOM 0 HG LEU A 6 18.019 -0.656 -3.157 1.00 0.00 H new ATOM 0 HD11 LEU A 6 18.841 -2.696 -2.042 1.00 0.00 H new ATOM 0 HD12 LEU A 6 19.209 -1.235 -1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 6 17.867 -2.298 -0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 6 16.830 -2.794 -3.459 1.00 0.00 H new ATOM 0 HD22 LEU A 6 15.785 -2.404 -2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 6 15.721 -1.405 -3.544 1.00 0.00 H new ATOM 96 N GLU A 7 15.985 2.968 -0.861 1.00 0.00 N ATOM 97 CA GLU A 7 15.428 3.948 0.069 1.00 0.00 C ATOM 98 C GLU A 7 14.354 4.805 -0.605 1.00 0.00 C ATOM 99 O GLU A 7 13.349 5.149 0.019 1.00 0.00 O ATOM 100 CB GLU A 7 16.527 4.831 0.672 1.00 0.00 C ATOM 101 CG GLU A 7 17.449 5.457 -0.356 1.00 0.00 C ATOM 102 CD GLU A 7 18.400 6.463 0.250 1.00 0.00 C ATOM 103 OE1 GLU A 7 18.150 7.677 0.110 1.00 0.00 O ATOM 104 OE2 GLU A 7 19.397 6.051 0.875 1.00 0.00 O ATOM 0 H GLU A 7 16.968 3.110 -1.091 1.00 0.00 H new ATOM 0 HA GLU A 7 14.957 3.395 0.882 1.00 0.00 H new ATOM 0 HB2 GLU A 7 16.061 5.624 1.258 1.00 0.00 H new ATOM 0 HB3 GLU A 7 17.122 4.232 1.362 1.00 0.00 H new ATOM 0 HG2 GLU A 7 18.023 4.672 -0.849 1.00 0.00 H new ATOM 0 HG3 GLU A 7 16.851 5.946 -1.125 1.00 0.00 H new ATOM 111 N ASP A 8 14.558 5.138 -1.879 1.00 0.00 N ATOM 112 CA ASP A 8 13.548 5.870 -2.642 1.00 0.00 C ATOM 113 C ASP A 8 12.338 4.984 -2.900 1.00 0.00 C ATOM 114 O ASP A 8 11.204 5.458 -2.936 1.00 0.00 O ATOM 115 CB ASP A 8 14.110 6.384 -3.971 1.00 0.00 C ATOM 116 CG ASP A 8 14.932 7.649 -3.809 1.00 0.00 C ATOM 117 OD1 ASP A 8 16.167 7.589 -3.965 1.00 0.00 O ATOM 118 OD2 ASP A 8 14.344 8.717 -3.531 1.00 0.00 O ATOM 0 H ASP A 8 15.406 4.915 -2.401 1.00 0.00 H new ATOM 0 HA ASP A 8 13.245 6.732 -2.048 1.00 0.00 H new ATOM 0 HB2 ASP A 8 14.729 5.609 -4.423 1.00 0.00 H new ATOM 0 HB3 ASP A 8 13.287 6.576 -4.659 1.00 0.00 H new ATOM 123 N LYS A 9 12.590 3.694 -3.083 1.00 0.00 N ATOM 124 CA LYS A 9 11.507 2.715 -3.233 1.00 0.00 C ATOM 125 C LYS A 9 10.636 2.723 -1.986 1.00 0.00 C ATOM 126 O LYS A 9 9.414 2.831 -2.066 1.00 0.00 O ATOM 127 CB LYS A 9 12.057 1.288 -3.402 1.00 0.00 C ATOM 128 CG LYS A 9 11.264 0.355 -4.329 1.00 0.00 C ATOM 129 CD LYS A 9 11.719 0.462 -5.784 1.00 0.00 C ATOM 130 CE LYS A 9 11.629 1.879 -6.335 1.00 0.00 C ATOM 131 NZ LYS A 9 10.225 2.326 -6.521 1.00 0.00 N ATOM 0 H LYS A 9 13.528 3.297 -3.132 1.00 0.00 H new ATOM 0 HA LYS A 9 10.937 2.993 -4.119 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.077 1.358 -3.779 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.112 0.824 -2.417 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.378 -0.674 -3.989 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.203 0.596 -4.263 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.748 0.112 -5.863 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.109 -0.200 -6.399 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.138 2.563 -5.656 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.153 1.929 -7.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.100 3.266 -6.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.008 2.377 -7.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.582 1.649 -6.063 1.00 0.00 H new ATOM 145 N VAL A 10 11.306 2.608 -0.837 1.00 0.00 N ATOM 146 CA VAL A 10 10.657 2.607 0.472 1.00 0.00 C ATOM 147 C VAL A 10 9.798 3.853 0.597 1.00 0.00 C ATOM 148 O VAL A 10 8.676 3.823 1.098 1.00 0.00 O ATOM 149 CB VAL A 10 11.705 2.590 1.610 1.00 0.00 C ATOM 150 CG1 VAL A 10 11.036 2.714 2.972 1.00 0.00 C ATOM 151 CG2 VAL A 10 12.536 1.319 1.548 1.00 0.00 C ATOM 0 H VAL A 10 12.320 2.512 -0.791 1.00 0.00 H new ATOM 0 HA VAL A 10 10.042 1.711 0.558 1.00 0.00 H new ATOM 0 HB VAL A 10 12.363 3.448 1.474 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.796 2.699 3.753 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.483 3.652 3.022 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.350 1.880 3.118 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.268 1.323 2.355 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.884 0.452 1.654 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.053 1.269 0.590 1.00 0.00 H new ATOM 161 N GLU A 11 10.346 4.937 0.076 1.00 0.00 N ATOM 162 CA GLU A 11 9.693 6.240 0.112 1.00 0.00 C ATOM 163 C GLU A 11 8.423 6.248 -0.742 1.00 0.00 C ATOM 164 O GLU A 11 7.357 6.656 -0.275 1.00 0.00 O ATOM 165 CB GLU A 11 10.663 7.323 -0.369 1.00 0.00 C ATOM 166 CG GLU A 11 10.140 8.737 -0.194 1.00 0.00 C ATOM 167 CD GLU A 11 11.119 9.782 -0.687 1.00 0.00 C ATOM 168 OE1 GLU A 11 10.881 10.372 -1.760 1.00 0.00 O ATOM 169 OE2 GLU A 11 12.136 10.018 -0.002 1.00 0.00 O ATOM 0 H GLU A 11 11.256 4.942 -0.385 1.00 0.00 H new ATOM 0 HA GLU A 11 9.404 6.448 1.142 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.602 7.223 0.175 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.885 7.156 -1.423 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.199 8.842 -0.733 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.925 8.914 0.860 1.00 0.00 H new ATOM 176 N GLU A 12 8.539 5.791 -1.989 1.00 0.00 N ATOM 177 CA GLU A 12 7.402 5.779 -2.913 1.00 0.00 C ATOM 178 C GLU A 12 6.296 4.861 -2.392 1.00 0.00 C ATOM 179 O GLU A 12 5.152 5.278 -2.209 1.00 0.00 O ATOM 180 CB GLU A 12 7.865 5.317 -4.298 1.00 0.00 C ATOM 181 CG GLU A 12 6.756 5.251 -5.337 1.00 0.00 C ATOM 182 CD GLU A 12 6.197 6.611 -5.698 1.00 0.00 C ATOM 183 OE1 GLU A 12 6.745 7.256 -6.617 1.00 0.00 O ATOM 184 OE2 GLU A 12 5.192 7.028 -5.089 1.00 0.00 O ATOM 0 H GLU A 12 9.406 5.425 -2.383 1.00 0.00 H new ATOM 0 HA GLU A 12 7.001 6.790 -2.989 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.641 5.995 -4.654 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.320 4.331 -4.206 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.139 4.772 -6.238 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.950 4.622 -4.959 1.00 0.00 H new ATOM 191 N LEU A 13 6.665 3.606 -2.180 1.00 0.00 N ATOM 192 CA LEU A 13 5.786 2.588 -1.601 1.00 0.00 C ATOM 193 C LEU A 13 4.978 3.100 -0.406 1.00 0.00 C ATOM 194 O LEU A 13 3.796 2.820 -0.315 1.00 0.00 O ATOM 195 CB LEU A 13 6.606 1.372 -1.172 1.00 0.00 C ATOM 196 CG LEU A 13 7.276 0.605 -2.310 1.00 0.00 C ATOM 197 CD1 LEU A 13 8.200 -0.464 -1.757 1.00 0.00 C ATOM 198 CD2 LEU A 13 6.230 -0.018 -3.221 1.00 0.00 C ATOM 0 H LEU A 13 7.596 3.256 -2.407 1.00 0.00 H new ATOM 0 HA LEU A 13 5.074 2.314 -2.380 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.376 1.701 -0.474 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.954 0.688 -0.628 1.00 0.00 H new ATOM 0 HG LEU A 13 7.870 1.307 -2.896 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.669 -1.001 -2.581 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.970 0.003 -1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.625 -1.163 -1.149 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.725 -0.561 -4.026 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.611 -0.707 -2.646 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.603 0.766 -3.644 1.00 0.00 H new ATOM 210 N LEU A 14 5.621 3.815 0.513 1.00 0.00 N ATOM 211 CA LEU A 14 4.921 4.395 1.677 1.00 0.00 C ATOM 212 C LEU A 14 3.750 5.266 1.237 1.00 0.00 C ATOM 213 O LEU A 14 2.632 5.109 1.728 1.00 0.00 O ATOM 214 CB LEU A 14 5.858 5.230 2.578 1.00 0.00 C ATOM 215 CG LEU A 14 6.345 4.544 3.865 1.00 0.00 C ATOM 216 CD1 LEU A 14 5.199 4.377 4.851 1.00 0.00 C ATOM 217 CD2 LEU A 14 6.972 3.196 3.559 1.00 0.00 C ATOM 0 H LEU A 14 6.621 4.011 0.483 1.00 0.00 H new ATOM 0 HA LEU A 14 4.554 3.549 2.258 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.730 5.519 1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.340 6.149 2.853 1.00 0.00 H new ATOM 0 HG LEU A 14 7.105 5.182 4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.565 3.890 5.755 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.793 5.356 5.106 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.417 3.766 4.400 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.308 2.732 4.486 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.235 2.553 3.078 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.824 3.334 2.893 1.00 0.00 H new ATOM 229 N SER A 15 4.014 6.180 0.310 1.00 0.00 N ATOM 230 CA SER A 15 2.985 7.073 -0.209 1.00 0.00 C ATOM 231 C SER A 15 1.863 6.269 -0.868 1.00 0.00 C ATOM 232 O SER A 15 0.677 6.573 -0.697 1.00 0.00 O ATOM 233 CB SER A 15 3.610 8.048 -1.212 1.00 0.00 C ATOM 234 OG SER A 15 2.680 9.023 -1.648 1.00 0.00 O ATOM 0 H SER A 15 4.937 6.322 -0.099 1.00 0.00 H new ATOM 0 HA SER A 15 2.555 7.641 0.616 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.466 8.542 -0.753 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.985 7.494 -2.072 1.00 0.00 H new ATOM 0 HG SER A 15 3.115 9.628 -2.285 1.00 0.00 H new ATOM 240 N LYS A 16 2.250 5.236 -1.608 1.00 0.00 N ATOM 241 CA LYS A 16 1.299 4.349 -2.269 1.00 0.00 C ATOM 242 C LYS A 16 0.505 3.570 -1.214 1.00 0.00 C ATOM 243 O LYS A 16 -0.723 3.539 -1.237 1.00 0.00 O ATOM 244 CB LYS A 16 2.068 3.383 -3.194 1.00 0.00 C ATOM 245 CG LYS A 16 1.265 2.772 -4.347 1.00 0.00 C ATOM 246 CD LYS A 16 0.043 2.011 -3.863 1.00 0.00 C ATOM 247 CE LYS A 16 -0.609 1.199 -4.971 1.00 0.00 C ATOM 248 NZ LYS A 16 0.196 0.006 -5.337 1.00 0.00 N ATOM 0 H LYS A 16 3.227 4.990 -1.766 1.00 0.00 H new ATOM 0 HA LYS A 16 0.599 4.931 -2.868 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.921 3.916 -3.614 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.468 2.571 -2.586 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.951 3.564 -5.027 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.906 2.099 -4.916 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.331 1.345 -3.050 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.683 2.715 -3.457 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.602 0.882 -4.651 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.743 1.829 -5.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.392 -0.655 -5.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.012 0.300 -5.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.532 -0.464 -4.473 1.00 0.00 H new ATOM 262 N ASN A 17 1.234 2.970 -0.280 1.00 0.00 N ATOM 263 CA ASN A 17 0.654 2.125 0.766 1.00 0.00 C ATOM 264 C ASN A 17 -0.395 2.896 1.565 1.00 0.00 C ATOM 265 O ASN A 17 -1.534 2.447 1.710 1.00 0.00 O ATOM 266 CB ASN A 17 1.775 1.624 1.692 1.00 0.00 C ATOM 267 CG ASN A 17 1.350 0.520 2.656 1.00 0.00 C ATOM 268 OD1 ASN A 17 0.196 0.432 3.066 1.00 0.00 O ATOM 269 ND2 ASN A 17 2.300 -0.327 3.047 1.00 0.00 N ATOM 0 H ASN A 17 2.249 3.054 -0.224 1.00 0.00 H new ATOM 0 HA ASN A 17 0.159 1.272 0.302 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.599 1.258 1.080 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.157 2.466 2.269 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.078 -1.074 3.705 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.250 -0.229 2.689 1.00 0.00 H new ATOM 276 N TYR A 18 -0.010 4.072 2.052 1.00 0.00 N ATOM 277 CA TYR A 18 -0.893 4.905 2.856 1.00 0.00 C ATOM 278 C TYR A 18 -2.160 5.278 2.085 1.00 0.00 C ATOM 279 O TYR A 18 -3.237 5.407 2.669 1.00 0.00 O ATOM 280 CB TYR A 18 -0.158 6.173 3.285 1.00 0.00 C ATOM 281 CG TYR A 18 -0.377 6.531 4.733 1.00 0.00 C ATOM 282 CD1 TYR A 18 -1.550 7.142 5.151 1.00 0.00 C ATOM 283 CD2 TYR A 18 0.592 6.249 5.683 1.00 0.00 C ATOM 284 CE1 TYR A 18 -1.751 7.462 6.478 1.00 0.00 C ATOM 285 CE2 TYR A 18 0.401 6.567 7.011 1.00 0.00 C ATOM 286 CZ TYR A 18 -0.773 7.173 7.405 1.00 0.00 C ATOM 287 OH TYR A 18 -0.972 7.490 8.732 1.00 0.00 O ATOM 0 H TYR A 18 0.917 4.471 1.901 1.00 0.00 H new ATOM 0 HA TYR A 18 -1.188 4.335 3.737 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.910 6.043 3.108 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.486 7.003 2.660 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.318 7.371 4.427 1.00 0.00 H new ATOM 0 HD2 TYR A 18 1.512 5.772 5.378 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.670 7.937 6.789 1.00 0.00 H new ATOM 0 HE2 TYR A 18 1.167 6.343 7.739 1.00 0.00 H new ATOM 0 HH TYR A 18 -0.188 7.219 9.254 1.00 0.00 H new ATOM 297 N HIS A 19 -2.025 5.438 0.770 1.00 0.00 N ATOM 298 CA HIS A 19 -3.157 5.804 -0.074 1.00 0.00 C ATOM 299 C HIS A 19 -4.256 4.755 0.019 1.00 0.00 C ATOM 300 O HIS A 19 -5.426 5.084 0.202 1.00 0.00 O ATOM 301 CB HIS A 19 -2.722 5.959 -1.535 1.00 0.00 C ATOM 302 CG HIS A 19 -3.830 6.399 -2.447 1.00 0.00 C ATOM 303 ND1 HIS A 19 -4.164 5.734 -3.607 1.00 0.00 N ATOM 304 CD2 HIS A 19 -4.684 7.445 -2.359 1.00 0.00 C ATOM 305 CE1 HIS A 19 -5.176 6.351 -4.189 1.00 0.00 C ATOM 306 NE2 HIS A 19 -5.509 7.391 -3.454 1.00 0.00 N ATOM 0 H HIS A 19 -1.145 5.320 0.268 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.542 6.759 0.283 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -1.909 6.683 -1.589 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.326 5.008 -1.891 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -4.711 8.185 -1.573 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -5.650 6.053 -5.112 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -6.259 8.050 -3.664 1.00 0.00 H new ATOM 315 N LEU A 20 -3.871 3.495 -0.091 1.00 0.00 N ATOM 316 CA LEU A 20 -4.836 2.409 -0.094 1.00 0.00 C ATOM 317 C LEU A 20 -5.437 2.228 1.290 1.00 0.00 C ATOM 318 O LEU A 20 -6.617 1.908 1.417 1.00 0.00 O ATOM 319 CB LEU A 20 -4.212 1.096 -0.578 1.00 0.00 C ATOM 320 CG LEU A 20 -3.943 0.980 -2.088 1.00 0.00 C ATOM 321 CD1 LEU A 20 -5.246 0.927 -2.859 1.00 0.00 C ATOM 322 CD2 LEU A 20 -3.090 2.121 -2.600 1.00 0.00 C ATOM 0 H LEU A 20 -2.899 3.199 -0.179 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.628 2.677 -0.793 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.269 0.952 -0.051 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.869 0.277 -0.285 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.392 0.053 -2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.035 0.845 -3.925 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.825 0.062 -2.536 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.817 1.836 -2.671 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.925 2.000 -3.671 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.600 3.067 -2.417 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.131 2.119 -2.082 1.00 0.00 H new ATOM 334 N GLU A 21 -4.631 2.455 2.327 1.00 0.00 N ATOM 335 CA GLU A 21 -5.129 2.403 3.698 1.00 0.00 C ATOM 336 C GLU A 21 -6.271 3.405 3.875 1.00 0.00 C ATOM 337 O GLU A 21 -7.253 3.135 4.570 1.00 0.00 O ATOM 338 CB GLU A 21 -4.017 2.709 4.707 1.00 0.00 C ATOM 339 CG GLU A 21 -2.860 1.722 4.683 1.00 0.00 C ATOM 340 CD GLU A 21 -1.848 1.989 5.777 1.00 0.00 C ATOM 341 OE1 GLU A 21 -1.739 1.155 6.700 1.00 0.00 O ATOM 342 OE2 GLU A 21 -1.166 3.032 5.735 1.00 0.00 O ATOM 0 H GLU A 21 -3.638 2.675 2.244 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.492 1.393 3.885 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.630 3.709 4.511 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.446 2.724 5.709 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.248 0.709 4.791 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.364 1.772 3.714 1.00 0.00 H new ATOM 349 N ASN A 22 -6.130 4.563 3.234 1.00 0.00 N ATOM 350 CA ASN A 22 -7.161 5.599 3.269 1.00 0.00 C ATOM 351 C ASN A 22 -8.420 5.133 2.549 1.00 0.00 C ATOM 352 O ASN A 22 -9.530 5.266 3.071 1.00 0.00 O ATOM 353 CB ASN A 22 -6.656 6.896 2.623 1.00 0.00 C ATOM 354 CG ASN A 22 -5.742 7.709 3.524 1.00 0.00 C ATOM 355 OD1 ASN A 22 -5.009 7.045 4.401 1.00 0.00 O flip ATOM 356 ND2 ASN A 22 -5.687 8.933 3.421 1.00 0.00 N flip ATOM 0 H ASN A 22 -5.308 4.809 2.682 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.398 5.792 4.315 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.123 6.651 1.705 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.512 7.509 2.340 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.267 9.413 2.733 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.061 9.468 4.023 1.00 0.00 H new ATOM 363 N GLU A 23 -8.238 4.586 1.349 1.00 0.00 N ATOM 364 CA GLU A 23 -9.355 4.118 0.535 1.00 0.00 C ATOM 365 C GLU A 23 -10.129 3.016 1.257 1.00 0.00 C ATOM 366 O GLU A 23 -11.357 3.066 1.337 1.00 0.00 O ATOM 367 CB GLU A 23 -8.859 3.598 -0.819 1.00 0.00 C ATOM 368 CG GLU A 23 -8.000 4.590 -1.589 1.00 0.00 C ATOM 369 CD GLU A 23 -8.698 5.911 -1.826 1.00 0.00 C ATOM 370 OE1 GLU A 23 -8.277 6.924 -1.235 1.00 0.00 O ATOM 371 OE2 GLU A 23 -9.678 5.942 -2.596 1.00 0.00 O ATOM 0 H GLU A 23 -7.323 4.456 0.918 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.021 4.964 0.367 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.285 2.686 -0.657 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.720 3.329 -1.430 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.076 4.766 -1.039 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.722 4.154 -2.549 1.00 0.00 H new ATOM 378 N VAL A 24 -9.398 2.036 1.790 1.00 0.00 N ATOM 379 CA VAL A 24 -10.004 0.918 2.510 1.00 0.00 C ATOM 380 C VAL A 24 -10.910 1.416 3.637 1.00 0.00 C ATOM 381 O VAL A 24 -12.076 1.033 3.728 1.00 0.00 O ATOM 382 CB VAL A 24 -8.935 -0.025 3.110 1.00 0.00 C ATOM 383 CG1 VAL A 24 -9.570 -1.059 4.029 1.00 0.00 C ATOM 384 CG2 VAL A 24 -8.162 -0.718 2.005 1.00 0.00 C ATOM 0 H VAL A 24 -8.380 1.995 1.735 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.596 0.364 1.781 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.247 0.581 3.700 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.795 -1.708 4.436 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -10.085 -0.553 4.845 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.285 -1.657 3.464 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.414 -1.378 2.443 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.848 -1.303 1.393 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.668 0.029 1.383 1.00 0.00 H new ATOM 394 N ALA A 25 -10.357 2.279 4.485 1.00 0.00 N ATOM 395 CA ALA A 25 -11.083 2.813 5.635 1.00 0.00 C ATOM 396 C ALA A 25 -12.373 3.519 5.221 1.00 0.00 C ATOM 397 O ALA A 25 -13.422 3.328 5.840 1.00 0.00 O ATOM 398 CB ALA A 25 -10.193 3.766 6.413 1.00 0.00 C ATOM 0 H ALA A 25 -9.402 2.626 4.397 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.360 1.971 6.269 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.742 4.160 7.269 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.308 3.234 6.763 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.889 4.590 5.767 1.00 0.00 H new ATOM 404 N ARG A 26 -12.288 4.324 4.166 1.00 0.00 N ATOM 405 CA ARG A 26 -13.438 5.067 3.669 1.00 0.00 C ATOM 406 C ARG A 26 -14.521 4.108 3.193 1.00 0.00 C ATOM 407 O ARG A 26 -15.671 4.186 3.627 1.00 0.00 O ATOM 408 CB ARG A 26 -13.008 5.970 2.514 1.00 0.00 C ATOM 409 CG ARG A 26 -14.061 6.981 2.090 1.00 0.00 C ATOM 410 CD ARG A 26 -13.637 7.713 0.828 1.00 0.00 C ATOM 411 NE ARG A 26 -12.253 8.178 0.911 1.00 0.00 N ATOM 412 CZ ARG A 26 -11.296 7.820 0.054 1.00 0.00 C ATOM 413 NH1 ARG A 26 -11.586 7.060 -0.996 1.00 0.00 N ATOM 414 NH2 ARG A 26 -10.052 8.236 0.239 1.00 0.00 N ATOM 0 H ARG A 26 -11.429 4.478 3.637 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.838 5.678 4.478 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -12.103 6.504 2.802 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.752 5.348 1.657 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -15.010 6.473 1.918 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -14.225 7.699 2.893 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -13.748 7.051 -0.031 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -14.297 8.564 0.662 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.005 8.814 1.669 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.545 6.747 -1.150 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -10.850 6.789 -1.648 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.826 8.830 1.037 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -9.320 7.962 -0.416 1.00 0.00 H new ATOM 428 N LEU A 27 -14.130 3.192 2.315 1.00 0.00 N ATOM 429 CA LEU A 27 -15.053 2.215 1.746 1.00 0.00 C ATOM 430 C LEU A 27 -15.680 1.339 2.827 1.00 0.00 C ATOM 431 O LEU A 27 -16.802 0.859 2.668 1.00 0.00 O ATOM 432 CB LEU A 27 -14.326 1.337 0.726 1.00 0.00 C ATOM 433 CG LEU A 27 -13.790 2.072 -0.501 1.00 0.00 C ATOM 434 CD1 LEU A 27 -12.957 1.138 -1.359 1.00 0.00 C ATOM 435 CD2 LEU A 27 -14.929 2.665 -1.315 1.00 0.00 C ATOM 0 H LEU A 27 -13.171 3.105 1.979 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.853 2.765 1.251 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.493 0.842 1.225 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.008 0.555 0.392 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.154 2.888 -0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.583 1.679 -2.229 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.116 0.762 -0.777 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.573 0.301 -1.689 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.524 3.184 -2.184 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.594 1.867 -1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.487 3.370 -0.699 1.00 0.00 H new ATOM 447 N LYS A 28 -14.964 1.148 3.929 1.00 0.00 N ATOM 448 CA LYS A 28 -15.436 0.300 5.010 1.00 0.00 C ATOM 449 C LYS A 28 -16.616 0.960 5.712 1.00 0.00 C ATOM 450 O LYS A 28 -17.641 0.324 5.961 1.00 0.00 O ATOM 451 CB LYS A 28 -14.310 0.038 6.013 1.00 0.00 C ATOM 452 CG LYS A 28 -14.547 -1.176 6.902 1.00 0.00 C ATOM 453 CD LYS A 28 -14.483 -2.477 6.110 1.00 0.00 C ATOM 454 CE LYS A 28 -13.064 -2.789 5.653 1.00 0.00 C ATOM 455 NZ LYS A 28 -12.180 -3.159 6.789 1.00 0.00 N ATOM 0 H LYS A 28 -14.051 1.572 4.095 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.758 -0.653 4.591 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.376 -0.099 5.468 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -14.185 0.919 6.643 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.801 -1.197 7.696 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.522 -1.090 7.383 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.856 -3.296 6.725 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.138 -2.407 5.242 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.087 -3.606 4.931 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.650 -1.921 5.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.285 -3.541 6.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.986 -2.316 7.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.650 -3.879 7.374 1.00 0.00 H new ATOM 469 N LYS A 29 -16.464 2.242 6.035 1.00 0.00 N ATOM 470 CA LYS A 29 -17.552 3.021 6.605 1.00 0.00 C ATOM 471 C LYS A 29 -18.724 3.100 5.629 1.00 0.00 C ATOM 472 O LYS A 29 -19.884 3.061 6.038 1.00 0.00 O ATOM 473 CB LYS A 29 -17.068 4.433 6.944 1.00 0.00 C ATOM 474 CG LYS A 29 -15.865 4.476 7.881 1.00 0.00 C ATOM 475 CD LYS A 29 -15.261 5.872 7.975 1.00 0.00 C ATOM 476 CE LYS A 29 -16.089 6.819 8.843 1.00 0.00 C ATOM 477 NZ LYS A 29 -17.343 7.272 8.179 1.00 0.00 N ATOM 0 H LYS A 29 -15.595 2.761 5.910 1.00 0.00 H new ATOM 0 HA LYS A 29 -17.886 2.527 7.517 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -16.812 4.949 6.019 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -17.889 4.986 7.400 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -16.168 4.145 8.874 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -15.107 3.776 7.529 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.253 5.800 8.384 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -15.170 6.291 6.973 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -16.340 6.319 9.779 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.485 7.690 9.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -17.501 8.279 8.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -17.259 7.139 7.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -18.146 6.715 8.536 1.00 0.00 H new ATOM 491 N LEU A 30 -18.410 3.196 4.340 1.00 0.00 N ATOM 492 CA LEU A 30 -19.432 3.315 3.306 1.00 0.00 C ATOM 493 C LEU A 30 -20.254 2.035 3.176 1.00 0.00 C ATOM 494 O LEU A 30 -21.480 2.074 3.266 1.00 0.00 O ATOM 495 CB LEU A 30 -18.800 3.669 1.959 1.00 0.00 C ATOM 496 CG LEU A 30 -18.118 5.037 1.894 1.00 0.00 C ATOM 497 CD1 LEU A 30 -17.499 5.257 0.524 1.00 0.00 C ATOM 498 CD2 LEU A 30 -19.108 6.147 2.214 1.00 0.00 C ATOM 0 H LEU A 30 -17.453 3.194 3.987 1.00 0.00 H new ATOM 0 HA LEU A 30 -20.104 4.119 3.606 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -18.066 2.903 1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -19.574 3.631 1.192 1.00 0.00 H new ATOM 0 HG LEU A 30 -17.325 5.060 2.641 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -17.018 6.235 0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -16.757 4.482 0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -18.277 5.212 -0.238 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -18.603 7.111 2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -19.924 6.126 1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -19.507 6.000 3.217 1.00 0.00 H new ATOM 510 N VAL A 31 -19.587 0.904 2.965 1.00 0.00 N ATOM 511 CA VAL A 31 -20.277 -0.372 2.824 1.00 0.00 C ATOM 512 C VAL A 31 -20.969 -0.788 4.131 1.00 0.00 C ATOM 513 O VAL A 31 -21.870 -1.628 4.126 1.00 0.00 O ATOM 514 CB VAL A 31 -19.300 -1.481 2.366 1.00 0.00 C ATOM 515 CG1 VAL A 31 -18.315 -1.843 3.468 1.00 0.00 C ATOM 516 CG2 VAL A 31 -20.060 -2.707 1.897 1.00 0.00 C ATOM 0 H VAL A 31 -18.572 0.846 2.888 1.00 0.00 H new ATOM 0 HA VAL A 31 -21.044 -0.241 2.061 1.00 0.00 H new ATOM 0 HB VAL A 31 -18.726 -1.091 1.525 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -17.643 -2.625 3.113 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -17.734 -0.962 3.741 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -18.861 -2.202 4.340 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -19.353 -3.474 1.580 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -20.670 -3.092 2.714 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -20.704 -2.438 1.059 1.00 0.00 H new ATOM 526 N GLY A 32 -20.560 -0.189 5.246 1.00 0.00 N ATOM 527 CA GLY A 32 -21.174 -0.498 6.521 1.00 0.00 C ATOM 528 C GLY A 32 -22.473 0.255 6.735 1.00 0.00 C ATOM 529 O GLY A 32 -23.167 0.036 7.727 1.00 0.00 O ATOM 0 H GLY A 32 -19.814 0.505 5.287 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -21.365 -1.570 6.579 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -20.479 -0.254 7.324 1.00 0.00 H new ATOM 533 N GLU A 33 -22.789 1.155 5.812 1.00 0.00 N ATOM 534 CA GLU A 33 -24.024 1.922 5.873 1.00 0.00 C ATOM 535 C GLU A 33 -25.156 1.152 5.207 1.00 0.00 C ATOM 536 O GLU A 33 -25.905 0.452 5.919 1.00 0.00 O ATOM 537 CB GLU A 33 -23.843 3.283 5.188 1.00 0.00 C ATOM 538 CG GLU A 33 -22.938 4.238 5.944 1.00 0.00 C ATOM 539 CD GLU A 33 -23.542 4.700 7.252 1.00 0.00 C ATOM 540 OE1 GLU A 33 -24.312 5.685 7.239 1.00 0.00 O ATOM 541 OE2 GLU A 33 -23.247 4.090 8.300 1.00 0.00 O ATOM 542 OXT GLU A 33 -25.285 1.236 3.967 1.00 0.00 O ATOM 0 H GLU A 33 -22.201 1.372 5.007 1.00 0.00 H new ATOM 0 HA GLU A 33 -24.277 2.087 6.920 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -23.434 3.125 4.190 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -24.821 3.748 5.062 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -21.984 3.749 6.141 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -22.728 5.106 5.319 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 19.528 4.816 6.200 1.00 0.00 N ATOM 551 CA GLY B 1 19.050 3.414 6.180 1.00 0.00 C ATOM 552 C GLY B 1 20.181 2.438 5.949 1.00 0.00 C ATOM 553 O GLY B 1 21.327 2.846 5.745 1.00 0.00 O ATOM 0 H1 GLY B 1 19.291 5.251 7.115 1.00 0.00 H new ATOM 0 H2 GLY B 1 20.559 4.833 6.065 1.00 0.00 H new ATOM 0 H3 GLY B 1 19.070 5.350 5.434 1.00 0.00 H new ATOM 0 HA2 GLY B 1 18.559 3.184 7.126 1.00 0.00 H new ATOM 0 HA3 GLY B 1 18.302 3.296 5.396 1.00 0.00 H new ATOM 559 N SER B 2 19.867 1.152 5.979 1.00 0.00 N ATOM 560 CA SER B 2 20.861 0.115 5.751 1.00 0.00 C ATOM 561 C SER B 2 20.465 -0.729 4.545 1.00 0.00 C ATOM 562 O SER B 2 19.280 -0.969 4.325 1.00 0.00 O ATOM 563 CB SER B 2 20.994 -0.764 6.993 1.00 0.00 C ATOM 564 OG SER B 2 21.230 0.021 8.149 1.00 0.00 O ATOM 0 H SER B 2 18.927 0.801 6.160 1.00 0.00 H new ATOM 0 HA SER B 2 21.824 0.583 5.550 1.00 0.00 H new ATOM 0 HB2 SER B 2 20.085 -1.350 7.127 1.00 0.00 H new ATOM 0 HB3 SER B 2 21.812 -1.471 6.856 1.00 0.00 H new ATOM 0 HG SER B 2 20.614 -0.251 8.861 1.00 0.00 H new ATOM 570 N MET B 3 21.457 -1.185 3.785 1.00 0.00 N ATOM 571 CA MET B 3 21.222 -1.844 2.498 1.00 0.00 C ATOM 572 C MET B 3 20.185 -2.964 2.601 1.00 0.00 C ATOM 573 O MET B 3 19.163 -2.936 1.913 1.00 0.00 O ATOM 574 CB MET B 3 22.536 -2.397 1.939 1.00 0.00 C ATOM 575 CG MET B 3 22.432 -2.877 0.502 1.00 0.00 C ATOM 576 SD MET B 3 22.169 -1.523 -0.658 1.00 0.00 S ATOM 577 CE MET B 3 22.032 -2.412 -2.202 1.00 0.00 C ATOM 0 H MET B 3 22.442 -1.110 4.039 1.00 0.00 H new ATOM 0 HA MET B 3 20.823 -1.091 1.818 1.00 0.00 H new ATOM 0 HB2 MET B 3 23.301 -1.623 2.000 1.00 0.00 H new ATOM 0 HB3 MET B 3 22.868 -3.224 2.566 1.00 0.00 H new ATOM 0 HG2 MET B 3 23.344 -3.410 0.233 1.00 0.00 H new ATOM 0 HG3 MET B 3 21.610 -3.588 0.418 1.00 0.00 H new ATOM 0 HE1 MET B 3 21.867 -1.705 -3.015 1.00 0.00 H new ATOM 0 HE2 MET B 3 22.952 -2.967 -2.385 1.00 0.00 H new ATOM 0 HE3 MET B 3 21.194 -3.106 -2.149 1.00 0.00 H new ATOM 587 N LYS B 4 20.436 -3.938 3.472 1.00 0.00 N ATOM 588 CA LYS B 4 19.534 -5.080 3.604 1.00 0.00 C ATOM 589 C LYS B 4 18.189 -4.676 4.203 1.00 0.00 C ATOM 590 O LYS B 4 17.151 -5.194 3.800 1.00 0.00 O ATOM 591 CB LYS B 4 20.165 -6.206 4.430 1.00 0.00 C ATOM 592 CG LYS B 4 21.068 -7.127 3.619 1.00 0.00 C ATOM 593 CD LYS B 4 22.389 -6.470 3.258 1.00 0.00 C ATOM 594 CE LYS B 4 23.320 -6.407 4.455 1.00 0.00 C ATOM 595 NZ LYS B 4 24.592 -5.712 4.130 1.00 0.00 N ATOM 0 H LYS B 4 21.247 -3.961 4.091 1.00 0.00 H new ATOM 0 HA LYS B 4 19.356 -5.453 2.595 1.00 0.00 H new ATOM 0 HB2 LYS B 4 20.744 -5.768 5.243 1.00 0.00 H new ATOM 0 HB3 LYS B 4 19.372 -6.798 4.886 1.00 0.00 H new ATOM 0 HG2 LYS B 4 21.261 -8.036 4.188 1.00 0.00 H new ATOM 0 HG3 LYS B 4 20.552 -7.426 2.706 1.00 0.00 H new ATOM 0 HD2 LYS B 4 22.867 -7.028 2.452 1.00 0.00 H new ATOM 0 HD3 LYS B 4 22.206 -5.463 2.884 1.00 0.00 H new ATOM 0 HE2 LYS B 4 22.823 -5.889 5.275 1.00 0.00 H new ATOM 0 HE3 LYS B 4 23.536 -7.418 4.801 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 25.201 -5.690 4.973 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 25.079 -6.220 3.365 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 24.388 -4.739 3.825 1.00 0.00 H new ATOM 609 N GLN B 5 18.199 -3.743 5.147 1.00 0.00 N ATOM 610 CA GLN B 5 16.960 -3.294 5.768 1.00 0.00 C ATOM 611 C GLN B 5 16.070 -2.574 4.758 1.00 0.00 C ATOM 612 O GLN B 5 14.848 -2.585 4.884 1.00 0.00 O ATOM 613 CB GLN B 5 17.237 -2.387 6.969 1.00 0.00 C ATOM 614 CG GLN B 5 17.880 -3.109 8.144 1.00 0.00 C ATOM 615 CD GLN B 5 17.915 -2.268 9.404 1.00 0.00 C ATOM 616 OE1 GLN B 5 18.989 -1.521 9.596 1.00 0.00 O flip ATOM 617 NE2 GLN B 5 16.985 -2.297 10.208 1.00 0.00 N flip ATOM 0 H GLN B 5 19.042 -3.287 5.496 1.00 0.00 H new ATOM 0 HA GLN B 5 16.434 -4.180 6.123 1.00 0.00 H new ATOM 0 HB2 GLN B 5 17.888 -1.571 6.655 1.00 0.00 H new ATOM 0 HB3 GLN B 5 16.300 -1.938 7.298 1.00 0.00 H new ATOM 0 HG2 GLN B 5 17.331 -4.030 8.343 1.00 0.00 H new ATOM 0 HG3 GLN B 5 18.897 -3.395 7.876 1.00 0.00 H new ATOM 0 HE21 GLN B 5 16.172 -2.886 10.026 1.00 0.00 H new ATOM 0 HE22 GLN B 5 17.027 -1.732 11.057 1.00 0.00 H new ATOM 626 N LEU B 6 16.686 -1.970 3.748 1.00 0.00 N ATOM 627 CA LEU B 6 15.938 -1.268 2.712 1.00 0.00 C ATOM 628 C LEU B 6 15.262 -2.257 1.770 1.00 0.00 C ATOM 629 O LEU B 6 14.066 -2.147 1.508 1.00 0.00 O ATOM 630 CB LEU B 6 16.844 -0.322 1.919 1.00 0.00 C ATOM 631 CG LEU B 6 17.453 0.836 2.714 1.00 0.00 C ATOM 632 CD1 LEU B 6 18.385 1.651 1.832 1.00 0.00 C ATOM 633 CD2 LEU B 6 16.362 1.724 3.292 1.00 0.00 C ATOM 0 H LEU B 6 17.698 -1.952 3.625 1.00 0.00 H new ATOM 0 HA LEU B 6 15.170 -0.673 3.206 1.00 0.00 H new ATOM 0 HB2 LEU B 6 17.655 -0.906 1.483 1.00 0.00 H new ATOM 0 HB3 LEU B 6 16.269 0.093 1.091 1.00 0.00 H new ATOM 0 HG LEU B 6 18.029 0.419 3.540 1.00 0.00 H new ATOM 0 HD11 LEU B 6 18.810 2.471 2.411 1.00 0.00 H new ATOM 0 HD12 LEU B 6 19.188 1.013 1.463 1.00 0.00 H new ATOM 0 HD13 LEU B 6 17.826 2.055 0.988 1.00 0.00 H new ATOM 0 HD21 LEU B 6 16.817 2.540 3.853 1.00 0.00 H new ATOM 0 HD22 LEU B 6 15.758 2.133 2.482 1.00 0.00 H new ATOM 0 HD23 LEU B 6 15.728 1.136 3.956 1.00 0.00 H new ATOM 645 N GLU B 7 16.017 -3.233 1.273 1.00 0.00 N ATOM 646 CA GLU B 7 15.461 -4.219 0.351 1.00 0.00 C ATOM 647 C GLU B 7 14.410 -5.091 1.041 1.00 0.00 C ATOM 648 O GLU B 7 13.399 -5.451 0.432 1.00 0.00 O ATOM 649 CB GLU B 7 16.562 -5.086 -0.270 1.00 0.00 C ATOM 650 CG GLU B 7 17.512 -5.700 0.741 1.00 0.00 C ATOM 651 CD GLU B 7 18.478 -6.681 0.113 1.00 0.00 C ATOM 652 OE1 GLU B 7 18.267 -7.902 0.258 1.00 0.00 O ATOM 653 OE2 GLU B 7 19.450 -6.243 -0.532 1.00 0.00 O ATOM 0 H GLU B 7 17.005 -3.362 1.490 1.00 0.00 H new ATOM 0 HA GLU B 7 14.971 -3.672 -0.454 1.00 0.00 H new ATOM 0 HB2 GLU B 7 16.098 -5.885 -0.848 1.00 0.00 H new ATOM 0 HB3 GLU B 7 17.136 -4.479 -0.970 1.00 0.00 H new ATOM 0 HG2 GLU B 7 18.075 -4.907 1.233 1.00 0.00 H new ATOM 0 HG3 GLU B 7 16.935 -6.208 1.514 1.00 0.00 H new ATOM 660 N ASP B 8 14.637 -5.419 2.312 1.00 0.00 N ATOM 661 CA ASP B 8 13.648 -6.162 3.091 1.00 0.00 C ATOM 662 C ASP B 8 12.430 -5.292 3.368 1.00 0.00 C ATOM 663 O ASP B 8 11.303 -5.782 3.436 1.00 0.00 O ATOM 664 CB ASP B 8 14.232 -6.666 4.415 1.00 0.00 C ATOM 665 CG ASP B 8 15.062 -7.924 4.252 1.00 0.00 C ATOM 666 OD1 ASP B 8 16.300 -7.851 4.391 1.00 0.00 O ATOM 667 OD2 ASP B 8 14.478 -9.001 3.997 1.00 0.00 O ATOM 0 H ASP B 8 15.489 -5.184 2.821 1.00 0.00 H new ATOM 0 HA ASP B 8 13.351 -7.028 2.499 1.00 0.00 H new ATOM 0 HB2 ASP B 8 14.850 -5.883 4.855 1.00 0.00 H new ATOM 0 HB3 ASP B 8 13.419 -6.861 5.114 1.00 0.00 H new ATOM 672 N LYS B 9 12.667 -4.000 3.542 1.00 0.00 N ATOM 673 CA LYS B 9 11.571 -3.036 3.709 1.00 0.00 C ATOM 674 C LYS B 9 10.681 -3.059 2.477 1.00 0.00 C ATOM 675 O LYS B 9 9.463 -3.189 2.577 1.00 0.00 O ATOM 676 CB LYS B 9 12.102 -1.603 3.869 1.00 0.00 C ATOM 677 CG LYS B 9 11.305 -0.682 4.805 1.00 0.00 C ATOM 678 CD LYS B 9 11.780 -0.779 6.255 1.00 0.00 C ATOM 679 CE LYS B 9 11.718 -2.194 6.813 1.00 0.00 C ATOM 680 NZ LYS B 9 10.325 -2.663 7.033 1.00 0.00 N ATOM 0 H LYS B 9 13.600 -3.589 3.572 1.00 0.00 H new ATOM 0 HA LYS B 9 11.019 -3.321 4.604 1.00 0.00 H new ATOM 0 HB2 LYS B 9 13.128 -1.657 4.234 1.00 0.00 H new ATOM 0 HB3 LYS B 9 12.139 -1.140 2.883 1.00 0.00 H new ATOM 0 HG2 LYS B 9 11.398 0.349 4.463 1.00 0.00 H new ATOM 0 HG3 LYS B 9 10.248 -0.941 4.753 1.00 0.00 H new ATOM 0 HD2 LYS B 9 12.805 -0.414 6.320 1.00 0.00 H new ATOM 0 HD3 LYS B 9 11.169 -0.124 6.875 1.00 0.00 H new ATOM 0 HE2 LYS B 9 12.222 -2.874 6.126 1.00 0.00 H new ATOM 0 HE3 LYS B 9 12.263 -2.233 7.756 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 10.331 -3.680 7.250 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 9.905 -2.142 7.829 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 9.763 -2.496 6.174 1.00 0.00 H new ATOM 694 N VAL B 10 11.331 -2.935 1.318 1.00 0.00 N ATOM 695 CA VAL B 10 10.665 -2.942 0.019 1.00 0.00 C ATOM 696 C VAL B 10 9.821 -4.198 -0.094 1.00 0.00 C ATOM 697 O VAL B 10 8.692 -4.182 -0.581 1.00 0.00 O ATOM 698 CB VAL B 10 11.695 -2.911 -1.136 1.00 0.00 C ATOM 699 CG1 VAL B 10 11.007 -3.043 -2.488 1.00 0.00 C ATOM 700 CG2 VAL B 10 12.512 -1.630 -1.086 1.00 0.00 C ATOM 0 H VAL B 10 12.343 -2.826 1.257 1.00 0.00 H new ATOM 0 HA VAL B 10 10.039 -2.053 -0.058 1.00 0.00 H new ATOM 0 HB VAL B 10 12.365 -3.761 -1.010 1.00 0.00 H new ATOM 0 HG11 VAL B 10 11.755 -3.018 -3.281 1.00 0.00 H new ATOM 0 HG12 VAL B 10 10.465 -3.988 -2.530 1.00 0.00 H new ATOM 0 HG13 VAL B 10 10.308 -2.218 -2.623 1.00 0.00 H new ATOM 0 HG21 VAL B 10 13.231 -1.625 -1.905 1.00 0.00 H new ATOM 0 HG22 VAL B 10 11.848 -0.771 -1.181 1.00 0.00 H new ATOM 0 HG23 VAL B 10 13.044 -1.574 -0.136 1.00 0.00 H new ATOM 710 N GLU B 11 10.389 -5.277 0.418 1.00 0.00 N ATOM 711 CA GLU B 11 9.750 -6.588 0.391 1.00 0.00 C ATOM 712 C GLU B 11 8.493 -6.613 1.263 1.00 0.00 C ATOM 713 O GLU B 11 7.424 -7.031 0.812 1.00 0.00 O ATOM 714 CB GLU B 11 10.738 -7.658 0.860 1.00 0.00 C ATOM 715 CG GLU B 11 10.232 -9.079 0.687 1.00 0.00 C ATOM 716 CD GLU B 11 11.223 -10.110 1.179 1.00 0.00 C ATOM 717 OE1 GLU B 11 10.986 -10.699 2.254 1.00 0.00 O ATOM 718 OE2 GLU B 11 12.244 -10.334 0.498 1.00 0.00 O ATOM 0 H GLU B 11 11.306 -5.272 0.865 1.00 0.00 H new ATOM 0 HA GLU B 11 9.449 -6.798 -0.635 1.00 0.00 H new ATOM 0 HB2 GLU B 11 11.671 -7.545 0.307 1.00 0.00 H new ATOM 0 HB3 GLU B 11 10.968 -7.490 1.912 1.00 0.00 H new ATOM 0 HG2 GLU B 11 9.293 -9.195 1.228 1.00 0.00 H new ATOM 0 HG3 GLU B 11 10.018 -9.259 -0.366 1.00 0.00 H new ATOM 725 N GLU B 12 8.621 -6.154 2.508 1.00 0.00 N ATOM 726 CA GLU B 12 7.499 -6.160 3.448 1.00 0.00 C ATOM 727 C GLU B 12 6.372 -5.256 2.943 1.00 0.00 C ATOM 728 O GLU B 12 5.229 -5.687 2.779 1.00 0.00 O ATOM 729 CB GLU B 12 7.974 -5.689 4.825 1.00 0.00 C ATOM 730 CG GLU B 12 6.880 -5.647 5.881 1.00 0.00 C ATOM 731 CD GLU B 12 6.359 -7.022 6.242 1.00 0.00 C ATOM 732 OE1 GLU B 12 6.928 -7.652 7.157 1.00 0.00 O ATOM 733 OE2 GLU B 12 5.372 -7.471 5.627 1.00 0.00 O ATOM 0 H GLU B 12 9.488 -5.774 2.889 1.00 0.00 H new ATOM 0 HA GLU B 12 7.115 -7.177 3.530 1.00 0.00 H new ATOM 0 HB2 GLU B 12 8.770 -6.350 5.168 1.00 0.00 H new ATOM 0 HB3 GLU B 12 8.407 -4.694 4.727 1.00 0.00 H new ATOM 0 HG2 GLU B 12 7.266 -5.163 6.778 1.00 0.00 H new ATOM 0 HG3 GLU B 12 6.055 -5.035 5.518 1.00 0.00 H new ATOM 740 N LEU B 13 6.723 -3.997 2.725 1.00 0.00 N ATOM 741 CA LEU B 13 5.823 -2.990 2.157 1.00 0.00 C ATOM 742 C LEU B 13 5.007 -3.514 0.973 1.00 0.00 C ATOM 743 O LEU B 13 3.819 -3.251 0.897 1.00 0.00 O ATOM 744 CB LEU B 13 6.620 -1.764 1.715 1.00 0.00 C ATOM 745 CG LEU B 13 7.297 -0.986 2.842 1.00 0.00 C ATOM 746 CD1 LEU B 13 8.201 0.093 2.272 1.00 0.00 C ATOM 747 CD2 LEU B 13 6.257 -0.375 3.765 1.00 0.00 C ATOM 0 H LEU B 13 7.653 -3.636 2.939 1.00 0.00 H new ATOM 0 HA LEU B 13 5.119 -2.725 2.946 1.00 0.00 H new ATOM 0 HB2 LEU B 13 7.384 -2.084 1.006 1.00 0.00 H new ATOM 0 HB3 LEU B 13 5.951 -1.089 1.180 1.00 0.00 H new ATOM 0 HG LEU B 13 7.908 -1.678 3.422 1.00 0.00 H new ATOM 0 HD11 LEU B 13 8.676 0.638 3.088 1.00 0.00 H new ATOM 0 HD12 LEU B 13 8.968 -0.367 1.648 1.00 0.00 H new ATOM 0 HD13 LEU B 13 7.609 0.783 1.670 1.00 0.00 H new ATOM 0 HD21 LEU B 13 6.757 0.176 4.562 1.00 0.00 H new ATOM 0 HD22 LEU B 13 5.621 0.305 3.198 1.00 0.00 H new ATOM 0 HD23 LEU B 13 5.646 -1.166 4.199 1.00 0.00 H new ATOM 759 N LEU B 14 5.646 -4.222 0.045 1.00 0.00 N ATOM 760 CA LEU B 14 4.939 -4.812 -1.106 1.00 0.00 C ATOM 761 C LEU B 14 3.785 -5.698 -0.651 1.00 0.00 C ATOM 762 O LEU B 14 2.659 -5.553 -1.126 1.00 0.00 O ATOM 763 CB LEU B 14 5.871 -5.636 -2.021 1.00 0.00 C ATOM 764 CG LEU B 14 6.330 -4.944 -3.316 1.00 0.00 C ATOM 765 CD1 LEU B 14 5.168 -4.793 -4.288 1.00 0.00 C ATOM 766 CD2 LEU B 14 6.943 -3.585 -3.021 1.00 0.00 C ATOM 0 H LEU B 14 6.649 -4.405 0.061 1.00 0.00 H new ATOM 0 HA LEU B 14 4.554 -3.969 -1.680 1.00 0.00 H new ATOM 0 HB2 LEU B 14 6.756 -5.915 -1.448 1.00 0.00 H new ATOM 0 HB3 LEU B 14 5.360 -6.561 -2.288 1.00 0.00 H new ATOM 0 HG LEU B 14 7.092 -5.573 -3.776 1.00 0.00 H new ATOM 0 HD11 LEU B 14 5.515 -4.301 -5.197 1.00 0.00 H new ATOM 0 HD12 LEU B 14 4.772 -5.777 -4.537 1.00 0.00 H new ATOM 0 HD13 LEU B 14 4.384 -4.192 -3.827 1.00 0.00 H new ATOM 0 HD21 LEU B 14 7.259 -3.118 -3.954 1.00 0.00 H new ATOM 0 HD22 LEU B 14 6.204 -2.952 -2.530 1.00 0.00 H new ATOM 0 HD23 LEU B 14 7.806 -3.709 -2.367 1.00 0.00 H new ATOM 778 N SER B 15 4.074 -6.609 0.271 1.00 0.00 N ATOM 779 CA SER B 15 3.063 -7.513 0.802 1.00 0.00 C ATOM 780 C SER B 15 1.942 -6.725 1.481 1.00 0.00 C ATOM 781 O SER B 15 0.760 -7.045 1.334 1.00 0.00 O ATOM 782 CB SER B 15 3.709 -8.488 1.791 1.00 0.00 C ATOM 783 OG SER B 15 2.794 -9.485 2.208 1.00 0.00 O ATOM 0 H SER B 15 5.005 -6.741 0.667 1.00 0.00 H new ATOM 0 HA SER B 15 2.628 -8.080 -0.021 1.00 0.00 H new ATOM 0 HB2 SER B 15 4.575 -8.959 1.326 1.00 0.00 H new ATOM 0 HB3 SER B 15 4.072 -7.939 2.660 1.00 0.00 H new ATOM 0 HG SER B 15 3.236 -10.092 2.837 1.00 0.00 H new ATOM 789 N LYS B 16 2.326 -5.685 2.214 1.00 0.00 N ATOM 790 CA LYS B 16 1.372 -4.814 2.890 1.00 0.00 C ATOM 791 C LYS B 16 0.553 -4.044 1.847 1.00 0.00 C ATOM 792 O LYS B 16 -0.675 -4.021 1.896 1.00 0.00 O ATOM 793 CB LYS B 16 2.141 -3.838 3.803 1.00 0.00 C ATOM 794 CG LYS B 16 1.345 -3.235 4.964 1.00 0.00 C ATOM 795 CD LYS B 16 0.107 -2.492 4.495 1.00 0.00 C ATOM 796 CE LYS B 16 -0.539 -1.688 5.613 1.00 0.00 C ATOM 797 NZ LYS B 16 0.253 -0.483 5.965 1.00 0.00 N ATOM 0 H LYS B 16 3.302 -5.423 2.356 1.00 0.00 H new ATOM 0 HA LYS B 16 0.689 -5.407 3.498 1.00 0.00 H new ATOM 0 HB2 LYS B 16 3.005 -4.360 4.214 1.00 0.00 H new ATOM 0 HB3 LYS B 16 2.524 -3.023 3.189 1.00 0.00 H new ATOM 0 HG2 LYS B 16 1.050 -4.029 5.650 1.00 0.00 H new ATOM 0 HG3 LYS B 16 1.985 -2.552 5.523 1.00 0.00 H new ATOM 0 HD2 LYS B 16 0.375 -1.823 3.677 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -0.615 -3.206 4.099 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -1.541 -1.386 5.309 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -0.650 -2.319 6.495 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -0.319 0.146 6.564 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 1.109 -0.769 6.482 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 0.525 0.020 5.096 1.00 0.00 H new ATOM 811 N ASN B 17 1.258 -3.442 0.897 1.00 0.00 N ATOM 812 CA ASN B 17 0.651 -2.601 -0.137 1.00 0.00 C ATOM 813 C ASN B 17 -0.399 -3.383 -0.921 1.00 0.00 C ATOM 814 O ASN B 17 -1.545 -2.949 -1.049 1.00 0.00 O ATOM 815 CB ASN B 17 1.754 -2.085 -1.079 1.00 0.00 C ATOM 816 CG ASN B 17 1.300 -0.985 -2.034 1.00 0.00 C ATOM 817 OD1 ASN B 17 0.139 -0.910 -2.424 1.00 0.00 O ATOM 818 ND2 ASN B 17 2.233 -0.128 -2.441 1.00 0.00 N ATOM 0 H ASN B 17 2.272 -3.521 0.819 1.00 0.00 H new ATOM 0 HA ASN B 17 0.152 -1.755 0.336 1.00 0.00 H new ATOM 0 HB2 ASN B 17 2.582 -1.709 -0.478 1.00 0.00 H new ATOM 0 HB3 ASN B 17 2.138 -2.922 -1.663 1.00 0.00 H new ATOM 0 HD21 ASN B 17 1.991 0.617 -3.095 1.00 0.00 H new ATOM 0 HD22 ASN B 17 3.190 -0.216 -2.099 1.00 0.00 H new ATOM 825 N TYR B 18 -0.004 -4.554 -1.414 1.00 0.00 N ATOM 826 CA TYR B 18 -0.887 -5.398 -2.206 1.00 0.00 C ATOM 827 C TYR B 18 -2.138 -5.788 -1.419 1.00 0.00 C ATOM 828 O TYR B 18 -3.221 -5.932 -1.989 1.00 0.00 O ATOM 829 CB TYR B 18 -0.141 -6.655 -2.646 1.00 0.00 C ATOM 830 CG TYR B 18 -0.375 -7.015 -4.090 1.00 0.00 C ATOM 831 CD1 TYR B 18 -1.545 -7.645 -4.490 1.00 0.00 C ATOM 832 CD2 TYR B 18 0.577 -6.723 -5.054 1.00 0.00 C ATOM 833 CE1 TYR B 18 -1.758 -7.974 -5.813 1.00 0.00 C ATOM 834 CE2 TYR B 18 0.372 -7.047 -6.378 1.00 0.00 C ATOM 835 CZ TYR B 18 -0.798 -7.673 -6.755 1.00 0.00 C ATOM 836 OH TYR B 18 -1.006 -8.004 -8.077 1.00 0.00 O ATOM 0 H TYR B 18 0.930 -4.940 -1.276 1.00 0.00 H new ATOM 0 HA TYR B 18 -1.202 -4.831 -3.082 1.00 0.00 H new ATOM 0 HB2 TYR B 18 0.927 -6.510 -2.484 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -0.449 -7.490 -2.017 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -2.300 -7.881 -3.755 1.00 0.00 H new ATOM 0 HD2 TYR B 18 1.495 -6.233 -4.763 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -2.673 -8.465 -6.109 1.00 0.00 H new ATOM 0 HE2 TYR B 18 1.124 -6.812 -7.117 1.00 0.00 H new ATOM 0 HH TYR B 18 -0.234 -7.722 -8.610 1.00 0.00 H new ATOM 846 N HIS B 19 -1.985 -5.946 -0.106 1.00 0.00 N ATOM 847 CA HIS B 19 -3.099 -6.328 0.755 1.00 0.00 C ATOM 848 C HIS B 19 -4.213 -5.293 0.679 1.00 0.00 C ATOM 849 O HIS B 19 -5.381 -5.637 0.515 1.00 0.00 O ATOM 850 CB HIS B 19 -2.642 -6.473 2.209 1.00 0.00 C ATOM 851 CG HIS B 19 -3.730 -6.933 3.137 1.00 0.00 C ATOM 852 ND1 HIS B 19 -4.058 -6.273 4.301 1.00 0.00 N ATOM 853 CD2 HIS B 19 -4.570 -7.993 3.060 1.00 0.00 C ATOM 854 CE1 HIS B 19 -5.050 -6.904 4.898 1.00 0.00 C ATOM 855 NE2 HIS B 19 -5.378 -7.949 4.168 1.00 0.00 N ATOM 0 H HIS B 19 -1.100 -5.815 0.384 1.00 0.00 H new ATOM 0 HA HIS B 19 -3.474 -7.289 0.404 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -1.815 -7.182 2.252 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -2.259 -5.514 2.558 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -4.598 -8.733 2.274 1.00 0.00 H new ATOM 0 HE1 HIS B 19 -5.515 -6.613 5.828 1.00 0.00 H new ATOM 0 HE2 HIS B 19 -6.115 -8.619 4.390 1.00 0.00 H new ATOM 864 N LEU B 20 -3.840 -4.028 0.785 1.00 0.00 N ATOM 865 CA LEU B 20 -4.819 -2.954 0.798 1.00 0.00 C ATOM 866 C LEU B 20 -5.445 -2.786 -0.578 1.00 0.00 C ATOM 867 O LEU B 20 -6.630 -2.481 -0.686 1.00 0.00 O ATOM 868 CB LEU B 20 -4.206 -1.631 1.270 1.00 0.00 C ATOM 869 CG LEU B 20 -3.925 -1.500 2.775 1.00 0.00 C ATOM 870 CD1 LEU B 20 -5.218 -1.466 3.563 1.00 0.00 C ATOM 871 CD2 LEU B 20 -3.052 -2.619 3.284 1.00 0.00 C ATOM 0 H LEU B 20 -2.871 -3.721 0.863 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.597 -3.230 1.510 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -3.269 -1.480 0.734 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -4.875 -0.822 0.977 1.00 0.00 H new ATOM 0 HG LEU B 20 -3.391 -0.560 2.917 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -4.994 -1.373 4.626 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -5.817 -0.614 3.242 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -5.775 -2.387 3.389 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -2.878 -2.488 4.352 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -3.548 -3.574 3.112 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.098 -2.605 2.757 1.00 0.00 H new ATOM 883 N GLU B 21 -4.652 -3.005 -1.627 1.00 0.00 N ATOM 884 CA GLU B 21 -5.174 -2.966 -2.992 1.00 0.00 C ATOM 885 C GLU B 21 -6.305 -3.979 -3.147 1.00 0.00 C ATOM 886 O GLU B 21 -7.315 -3.707 -3.802 1.00 0.00 O ATOM 887 CB GLU B 21 -4.068 -3.252 -4.017 1.00 0.00 C ATOM 888 CG GLU B 21 -2.925 -2.244 -4.005 1.00 0.00 C ATOM 889 CD GLU B 21 -1.920 -2.496 -5.110 1.00 0.00 C ATOM 890 OE1 GLU B 21 -1.820 -1.656 -6.031 1.00 0.00 O ATOM 891 OE2 GLU B 21 -1.229 -3.532 -5.075 1.00 0.00 O ATOM 0 H GLU B 21 -3.655 -3.209 -1.559 1.00 0.00 H new ATOM 0 HA GLU B 21 -5.559 -1.964 -3.180 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -3.662 -4.246 -3.828 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -4.509 -3.272 -5.014 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -3.331 -1.238 -4.109 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -2.418 -2.285 -3.041 1.00 0.00 H new ATOM 898 N ASN B 22 -6.135 -5.137 -2.516 1.00 0.00 N ATOM 899 CA ASN B 22 -7.152 -6.186 -2.535 1.00 0.00 C ATOM 900 C ASN B 22 -8.408 -5.735 -1.797 1.00 0.00 C ATOM 901 O ASN B 22 -9.524 -5.881 -2.305 1.00 0.00 O ATOM 902 CB ASN B 22 -6.620 -7.474 -1.895 1.00 0.00 C ATOM 903 CG ASN B 22 -5.715 -8.280 -2.813 1.00 0.00 C ATOM 904 OD1 ASN B 22 -4.996 -7.609 -3.702 1.00 0.00 O flip ATOM 905 ND2 ASN B 22 -5.657 -9.507 -2.717 1.00 0.00 N flip ATOM 0 H ASN B 22 -5.299 -5.374 -1.982 1.00 0.00 H new ATOM 0 HA ASN B 22 -7.402 -6.384 -3.577 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -6.071 -7.220 -0.989 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -7.463 -8.095 -1.593 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -6.224 -9.992 -2.021 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -5.042 -10.038 -3.333 1.00 0.00 H new ATOM 912 N GLU B 23 -8.215 -5.185 -0.600 1.00 0.00 N ATOM 913 CA GLU B 23 -9.325 -4.727 0.229 1.00 0.00 C ATOM 914 C GLU B 23 -10.121 -3.636 -0.482 1.00 0.00 C ATOM 915 O GLU B 23 -11.351 -3.697 -0.543 1.00 0.00 O ATOM 916 CB GLU B 23 -8.812 -4.197 1.573 1.00 0.00 C ATOM 917 CG GLU B 23 -7.937 -5.179 2.338 1.00 0.00 C ATOM 918 CD GLU B 23 -8.629 -6.499 2.602 1.00 0.00 C ATOM 919 OE1 GLU B 23 -8.206 -7.523 2.028 1.00 0.00 O ATOM 920 OE2 GLU B 23 -9.607 -6.518 3.379 1.00 0.00 O ATOM 0 H GLU B 23 -7.295 -5.046 -0.182 1.00 0.00 H new ATOM 0 HA GLU B 23 -9.980 -5.579 0.409 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -8.245 -3.283 1.398 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -9.666 -3.928 2.195 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -7.023 -5.360 1.773 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -7.642 -4.732 3.288 1.00 0.00 H new ATOM 927 N VAL B 24 -9.408 -2.647 -1.025 1.00 0.00 N ATOM 928 CA VAL B 24 -10.039 -1.538 -1.736 1.00 0.00 C ATOM 929 C VAL B 24 -10.954 -2.051 -2.847 1.00 0.00 C ATOM 930 O VAL B 24 -12.131 -1.692 -2.915 1.00 0.00 O ATOM 931 CB VAL B 24 -8.992 -0.579 -2.352 1.00 0.00 C ATOM 932 CG1 VAL B 24 -9.658 0.448 -3.260 1.00 0.00 C ATOM 933 CG2 VAL B 24 -8.211 0.124 -1.260 1.00 0.00 C ATOM 0 H VAL B 24 -8.390 -2.593 -0.984 1.00 0.00 H new ATOM 0 HA VAL B 24 -10.627 -0.990 -1.000 1.00 0.00 H new ATOM 0 HB VAL B 24 -8.305 -1.174 -2.953 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -8.900 1.109 -3.679 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -10.180 -0.065 -4.068 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -10.372 1.035 -2.683 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -7.479 0.795 -1.710 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -8.895 0.700 -0.636 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -7.696 -0.616 -0.647 1.00 0.00 H new ATOM 943 N ALA B 25 -10.403 -2.906 -3.704 1.00 0.00 N ATOM 944 CA ALA B 25 -11.136 -3.452 -4.844 1.00 0.00 C ATOM 945 C ALA B 25 -12.408 -4.177 -4.412 1.00 0.00 C ATOM 946 O ALA B 25 -13.465 -4.012 -5.026 1.00 0.00 O ATOM 947 CB ALA B 25 -10.240 -4.390 -5.633 1.00 0.00 C ATOM 0 H ALA B 25 -9.442 -3.239 -3.630 1.00 0.00 H new ATOM 0 HA ALA B 25 -11.437 -2.616 -5.476 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -10.793 -4.793 -6.481 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -9.369 -3.843 -5.994 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -9.914 -5.208 -4.990 1.00 0.00 H new ATOM 953 N ARG B 26 -12.301 -4.974 -3.355 1.00 0.00 N ATOM 954 CA ARG B 26 -13.436 -5.731 -2.842 1.00 0.00 C ATOM 955 C ARG B 26 -14.524 -4.787 -2.353 1.00 0.00 C ATOM 956 O ARG B 26 -15.679 -4.880 -2.769 1.00 0.00 O ATOM 957 CB ARG B 26 -12.980 -6.629 -1.692 1.00 0.00 C ATOM 958 CG ARG B 26 -14.017 -7.651 -1.250 1.00 0.00 C ATOM 959 CD ARG B 26 -13.564 -8.376 0.008 1.00 0.00 C ATOM 960 NE ARG B 26 -12.176 -8.823 -0.094 1.00 0.00 N ATOM 961 CZ ARG B 26 -11.209 -8.449 0.745 1.00 0.00 C ATOM 962 NH1 ARG B 26 -11.494 -7.693 1.800 1.00 0.00 N ATOM 963 NH2 ARG B 26 -9.960 -8.842 0.540 1.00 0.00 N ATOM 0 H ARG B 26 -11.435 -5.113 -2.834 1.00 0.00 H new ATOM 0 HA ARG B 26 -13.839 -6.347 -3.646 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -12.074 -7.154 -1.993 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -12.717 -6.003 -0.839 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -14.968 -7.152 -1.064 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -14.186 -8.373 -2.049 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -13.671 -7.714 0.867 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -14.211 -9.235 0.185 1.00 0.00 H new ATOM 0 HE ARG B 26 -11.932 -9.460 -0.853 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -12.455 -7.397 1.970 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -10.752 -7.409 2.439 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -9.736 -9.432 -0.261 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -9.223 -8.554 1.183 1.00 0.00 H new ATOM 977 N LEU B 27 -14.133 -3.862 -1.482 1.00 0.00 N ATOM 978 CA LEU B 27 -15.061 -2.899 -0.901 1.00 0.00 C ATOM 979 C LEU B 27 -15.716 -2.033 -1.973 1.00 0.00 C ATOM 980 O LEU B 27 -16.843 -1.570 -1.799 1.00 0.00 O ATOM 981 CB LEU B 27 -14.330 -2.013 0.111 1.00 0.00 C ATOM 982 CG LEU B 27 -13.768 -2.740 1.331 1.00 0.00 C ATOM 983 CD1 LEU B 27 -12.937 -1.793 2.176 1.00 0.00 C ATOM 984 CD2 LEU B 27 -14.890 -3.348 2.160 1.00 0.00 C ATOM 0 H LEU B 27 -13.170 -3.759 -1.161 1.00 0.00 H new ATOM 0 HA LEU B 27 -15.848 -3.458 -0.395 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -13.510 -1.508 -0.399 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -15.017 -1.240 0.454 1.00 0.00 H new ATOM 0 HG LEU B 27 -13.125 -3.548 0.982 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -12.544 -2.327 3.041 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -12.109 -1.406 1.582 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -13.560 -0.964 2.513 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -14.467 -3.861 3.024 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -15.561 -2.559 2.499 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -15.447 -4.061 1.552 1.00 0.00 H new ATOM 996 N LYS B 28 -15.018 -1.834 -3.086 1.00 0.00 N ATOM 997 CA LYS B 28 -15.517 -0.992 -4.160 1.00 0.00 C ATOM 998 C LYS B 28 -16.700 -1.668 -4.844 1.00 0.00 C ATOM 999 O LYS B 28 -17.736 -1.044 -5.074 1.00 0.00 O ATOM 1000 CB LYS B 28 -14.409 -0.717 -5.177 1.00 0.00 C ATOM 1001 CG LYS B 28 -14.675 0.492 -6.063 1.00 0.00 C ATOM 1002 CD LYS B 28 -14.615 1.793 -5.272 1.00 0.00 C ATOM 1003 CE LYS B 28 -13.193 2.125 -4.840 1.00 0.00 C ATOM 1004 NZ LYS B 28 -12.337 2.516 -5.992 1.00 0.00 N ATOM 0 H LYS B 28 -14.103 -2.247 -3.265 1.00 0.00 H new ATOM 0 HA LYS B 28 -15.846 -0.042 -3.738 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -13.470 -0.566 -4.645 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -14.281 -1.597 -5.808 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -13.941 0.522 -6.869 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -15.656 0.394 -6.528 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -15.010 2.607 -5.880 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -15.253 1.714 -4.392 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -13.215 2.937 -4.113 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -12.755 1.261 -4.340 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -11.441 2.910 -5.641 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -12.141 1.680 -6.579 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -12.830 3.232 -6.563 1.00 0.00 H new ATOM 1018 N LYS B 29 -16.535 -2.948 -5.167 1.00 0.00 N ATOM 1019 CA LYS B 29 -17.620 -3.743 -5.720 1.00 0.00 C ATOM 1020 C LYS B 29 -18.778 -3.844 -4.728 1.00 0.00 C ATOM 1021 O LYS B 29 -19.943 -3.847 -5.119 1.00 0.00 O ATOM 1022 CB LYS B 29 -17.120 -5.149 -6.066 1.00 0.00 C ATOM 1023 CG LYS B 29 -15.933 -5.176 -7.021 1.00 0.00 C ATOM 1024 CD LYS B 29 -15.312 -6.563 -7.126 1.00 0.00 C ATOM 1025 CE LYS B 29 -16.142 -7.520 -7.980 1.00 0.00 C ATOM 1026 NZ LYS B 29 -17.376 -7.994 -7.295 1.00 0.00 N ATOM 0 H LYS B 29 -15.657 -3.455 -5.054 1.00 0.00 H new ATOM 0 HA LYS B 29 -17.975 -3.250 -6.625 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -16.841 -5.660 -5.144 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -17.940 -5.715 -6.508 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -16.256 -4.848 -8.009 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -15.179 -4.467 -6.681 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -14.312 -6.477 -7.552 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -15.198 -6.982 -6.126 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -16.418 -7.022 -8.909 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -15.530 -8.381 -8.250 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -17.522 -9.003 -7.502 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -17.276 -7.862 -6.268 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -18.193 -7.449 -7.636 1.00 0.00 H new ATOM 1040 N LEU B 30 -18.446 -3.925 -3.442 1.00 0.00 N ATOM 1041 CA LEU B 30 -19.452 -4.062 -2.396 1.00 0.00 C ATOM 1042 C LEU B 30 -20.290 -2.794 -2.253 1.00 0.00 C ATOM 1043 O LEU B 30 -21.518 -2.849 -2.322 1.00 0.00 O ATOM 1044 CB LEU B 30 -18.796 -4.408 -1.057 1.00 0.00 C ATOM 1045 CG LEU B 30 -18.091 -5.766 -1.003 1.00 0.00 C ATOM 1046 CD1 LEU B 30 -17.449 -5.979 0.359 1.00 0.00 C ATOM 1047 CD2 LEU B 30 -19.067 -6.890 -1.313 1.00 0.00 C ATOM 0 H LEU B 30 -17.485 -3.898 -3.100 1.00 0.00 H new ATOM 0 HA LEU B 30 -20.116 -4.876 -2.688 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -18.071 -3.631 -0.816 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -19.560 -4.383 -0.280 1.00 0.00 H new ATOM 0 HG LEU B 30 -17.307 -5.775 -1.760 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -16.952 -6.949 0.379 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -16.717 -5.193 0.543 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -18.217 -5.948 1.132 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -18.546 -7.847 -1.269 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -19.875 -6.883 -0.581 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -19.481 -6.747 -2.311 1.00 0.00 H new ATOM 1059 N VAL B 31 -19.633 -1.653 -2.057 1.00 0.00 N ATOM 1060 CA VAL B 31 -20.338 -0.386 -1.906 1.00 0.00 C ATOM 1061 C VAL B 31 -21.057 0.021 -3.203 1.00 0.00 C ATOM 1062 O VAL B 31 -21.974 0.844 -3.183 1.00 0.00 O ATOM 1063 CB VAL B 31 -19.370 0.737 -1.463 1.00 0.00 C ATOM 1064 CG1 VAL B 31 -18.404 1.112 -2.576 1.00 0.00 C ATOM 1065 CG2 VAL B 31 -20.138 1.953 -0.983 1.00 0.00 C ATOM 0 H VAL B 31 -18.617 -1.581 -1.999 1.00 0.00 H new ATOM 0 HA VAL B 31 -21.091 -0.528 -1.131 1.00 0.00 H new ATOM 0 HB VAL B 31 -18.780 0.354 -0.630 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -17.739 1.903 -2.230 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -17.814 0.239 -2.855 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -18.965 1.463 -3.442 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -19.436 2.729 -0.677 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -20.765 2.329 -1.791 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -20.765 1.676 -0.136 1.00 0.00 H new ATOM 1075 N GLY B 32 -20.654 -0.573 -4.324 1.00 0.00 N ATOM 1076 CA GLY B 32 -21.292 -0.275 -5.590 1.00 0.00 C ATOM 1077 C GLY B 32 -22.582 -1.046 -5.784 1.00 0.00 C ATOM 1078 O GLY B 32 -23.302 -0.833 -6.760 1.00 0.00 O ATOM 0 H GLY B 32 -19.897 -1.255 -4.375 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -21.499 0.794 -5.646 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -20.606 -0.510 -6.404 1.00 0.00 H new ATOM 1082 N GLU B 33 -22.870 -1.950 -4.859 1.00 0.00 N ATOM 1083 CA GLU B 33 -24.095 -2.731 -4.907 1.00 0.00 C ATOM 1084 C GLU B 33 -25.229 -1.971 -4.231 1.00 0.00 C ATOM 1085 O GLU B 33 -25.999 -1.290 -4.939 1.00 0.00 O ATOM 1086 CB GLU B 33 -23.888 -4.089 -4.220 1.00 0.00 C ATOM 1087 CG GLU B 33 -22.978 -5.035 -4.986 1.00 0.00 C ATOM 1088 CD GLU B 33 -23.592 -5.517 -6.284 1.00 0.00 C ATOM 1089 OE1 GLU B 33 -24.351 -6.506 -6.253 1.00 0.00 O ATOM 1090 OE2 GLU B 33 -23.315 -4.920 -7.342 1.00 0.00 O ATOM 1091 OXT GLU B 33 -25.334 -2.036 -2.989 1.00 0.00 O ATOM 0 H GLU B 33 -22.268 -2.161 -4.063 1.00 0.00 H new ATOM 0 HA GLU B 33 -24.358 -2.903 -5.951 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -23.470 -3.923 -3.227 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -24.858 -4.566 -4.081 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -22.035 -4.531 -5.200 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -22.744 -5.895 -4.358 1.00 0.00 H new TER 1098 GLU B 33