USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 406 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 NoAdj-H: A 20 HIS HD1 : A 20 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 45 HIS HD1 : A 45 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 48 HIS HD1 : A 48 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -56:sc= 0.335 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -1.01 K(o=-1,f=-3.3!) USER MOD Single : A 13 LYS NZ :NH3+ -163:sc= -0.0329 (180deg=-0.258) USER MOD Single : A 16 HIS : no HE2:sc= -6.15! C(o=-6.1!,f=-7.2!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 33 LYS NZ :NH3+ -152:sc= 0.177 (180deg=-0.446) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot -143:sc= 0.565 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.643 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.207 -24.096 -0.385 1.00 0.00 N ATOM 2 CA GLY A 1 12.088 -24.998 -1.104 1.00 0.00 C ATOM 3 C GLY A 1 11.603 -25.285 -2.510 1.00 0.00 C ATOM 4 O GLY A 1 12.239 -24.889 -3.487 1.00 0.00 O ATOM 0 H1 GLY A 1 11.583 -23.932 0.571 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.147 -23.191 -0.894 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.259 -24.518 -0.316 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.087 -24.565 -1.149 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.171 -25.935 -0.553 1.00 0.00 H new ATOM 8 N SER A 2 10.473 -25.978 -2.615 1.00 0.00 N ATOM 9 CA SER A 2 9.905 -26.323 -3.913 1.00 0.00 C ATOM 10 C SER A 2 8.854 -25.300 -4.336 1.00 0.00 C ATOM 11 O SER A 2 8.135 -24.753 -3.501 1.00 0.00 O ATOM 12 CB SER A 2 9.284 -27.720 -3.867 1.00 0.00 C ATOM 13 OG SER A 2 10.267 -28.722 -4.063 1.00 0.00 O ATOM 0 H SER A 2 9.933 -26.311 -1.816 1.00 0.00 H new ATOM 0 HA SER A 2 10.710 -26.315 -4.648 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.793 -27.871 -2.906 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.515 -27.805 -4.635 1.00 0.00 H new ATOM 0 HG SER A 2 9.845 -29.606 -4.027 1.00 0.00 H new ATOM 19 N SER A 3 8.772 -25.049 -5.638 1.00 0.00 N ATOM 20 CA SER A 3 7.813 -24.090 -6.173 1.00 0.00 C ATOM 21 C SER A 3 8.155 -22.672 -5.726 1.00 0.00 C ATOM 22 O SER A 3 7.275 -21.895 -5.358 1.00 0.00 O ATOM 23 CB SER A 3 6.395 -24.450 -5.723 1.00 0.00 C ATOM 24 OG SER A 3 5.429 -23.679 -6.416 1.00 0.00 O ATOM 0 H SER A 3 9.358 -25.497 -6.342 1.00 0.00 H new ATOM 0 HA SER A 3 7.864 -24.132 -7.261 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.213 -25.510 -5.898 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.297 -24.283 -4.650 1.00 0.00 H new ATOM 0 HG SER A 3 5.620 -22.726 -6.291 1.00 0.00 H new ATOM 30 N GLY A 4 9.443 -22.342 -5.761 1.00 0.00 N ATOM 31 CA GLY A 4 9.881 -21.019 -5.358 1.00 0.00 C ATOM 32 C GLY A 4 9.584 -19.965 -6.406 1.00 0.00 C ATOM 33 O GLY A 4 8.512 -19.966 -7.011 1.00 0.00 O ATOM 0 H GLY A 4 10.190 -22.968 -6.061 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.390 -20.746 -4.424 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.953 -21.039 -5.161 1.00 0.00 H new ATOM 37 N SER A 5 10.535 -19.062 -6.621 1.00 0.00 N ATOM 38 CA SER A 5 10.368 -17.994 -7.600 1.00 0.00 C ATOM 39 C SER A 5 11.696 -17.291 -7.869 1.00 0.00 C ATOM 40 O SER A 5 12.602 -17.312 -7.036 1.00 0.00 O ATOM 41 CB SER A 5 9.332 -16.981 -7.109 1.00 0.00 C ATOM 42 OG SER A 5 9.776 -16.326 -5.933 1.00 0.00 O ATOM 0 H SER A 5 11.429 -19.048 -6.131 1.00 0.00 H new ATOM 0 HA SER A 5 10.017 -18.439 -8.531 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.141 -16.244 -7.889 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.388 -17.488 -6.912 1.00 0.00 H new ATOM 0 HG SER A 5 9.097 -15.683 -5.641 1.00 0.00 H new ATOM 48 N SER A 6 11.802 -16.670 -9.039 1.00 0.00 N ATOM 49 CA SER A 6 13.019 -15.964 -9.421 1.00 0.00 C ATOM 50 C SER A 6 12.688 -14.681 -10.178 1.00 0.00 C ATOM 51 O SER A 6 11.974 -14.704 -11.180 1.00 0.00 O ATOM 52 CB SER A 6 13.907 -16.863 -10.284 1.00 0.00 C ATOM 53 OG SER A 6 15.214 -16.329 -10.400 1.00 0.00 O ATOM 0 H SER A 6 11.060 -16.641 -9.739 1.00 0.00 H new ATOM 0 HA SER A 6 13.557 -15.700 -8.510 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.956 -17.860 -9.846 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.466 -16.972 -11.275 1.00 0.00 H new ATOM 0 HG SER A 6 15.762 -16.923 -10.955 1.00 0.00 H new ATOM 59 N GLY A 7 13.214 -13.561 -9.690 1.00 0.00 N ATOM 60 CA GLY A 7 12.963 -12.283 -10.332 1.00 0.00 C ATOM 61 C GLY A 7 13.167 -11.112 -9.391 1.00 0.00 C ATOM 62 O GLY A 7 12.394 -10.154 -9.406 1.00 0.00 O ATOM 0 H GLY A 7 13.809 -13.516 -8.863 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.626 -12.175 -11.191 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.942 -12.265 -10.713 1.00 0.00 H new ATOM 66 N SER A 8 14.208 -11.190 -8.569 1.00 0.00 N ATOM 67 CA SER A 8 14.508 -10.130 -7.613 1.00 0.00 C ATOM 68 C SER A 8 13.368 -9.964 -6.612 1.00 0.00 C ATOM 69 O SER A 8 12.902 -8.857 -6.343 1.00 0.00 O ATOM 70 CB SER A 8 14.757 -8.810 -8.344 1.00 0.00 C ATOM 71 OG SER A 8 16.056 -8.777 -8.910 1.00 0.00 O ATOM 0 H SER A 8 14.858 -11.976 -8.545 1.00 0.00 H new ATOM 0 HA SER A 8 15.410 -10.410 -7.068 1.00 0.00 H new ATOM 0 HB2 SER A 8 14.012 -8.679 -9.129 1.00 0.00 H new ATOM 0 HB3 SER A 8 14.638 -7.978 -7.650 1.00 0.00 H new ATOM 0 HG SER A 8 16.190 -7.924 -9.373 1.00 0.00 H new ATOM 77 N PRO A 9 12.908 -11.090 -6.048 1.00 0.00 N ATOM 78 CA PRO A 9 11.818 -11.096 -5.068 1.00 0.00 C ATOM 79 C PRO A 9 12.233 -10.481 -3.735 1.00 0.00 C ATOM 80 O PRO A 9 11.454 -10.459 -2.783 1.00 0.00 O ATOM 81 CB PRO A 9 11.504 -12.584 -4.896 1.00 0.00 C ATOM 82 CG PRO A 9 12.770 -13.282 -5.255 1.00 0.00 C ATOM 83 CD PRO A 9 13.417 -12.444 -6.322 1.00 0.00 C ATOM 0 HA PRO A 9 10.967 -10.503 -5.402 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.204 -12.810 -3.873 1.00 0.00 H new ATOM 0 HB3 PRO A 9 10.684 -12.893 -5.544 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.422 -13.379 -4.387 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.570 -14.290 -5.618 1.00 0.00 H new ATOM 0 HD2 PRO A 9 14.505 -12.485 -6.260 1.00 0.00 H new ATOM 0 HD3 PRO A 9 13.141 -12.782 -7.321 1.00 0.00 H new ATOM 91 N GLU A 10 13.464 -9.984 -3.676 1.00 0.00 N ATOM 92 CA GLU A 10 13.982 -9.370 -2.459 1.00 0.00 C ATOM 93 C GLU A 10 14.206 -7.874 -2.658 1.00 0.00 C ATOM 94 O GLU A 10 14.933 -7.458 -3.559 1.00 0.00 O ATOM 95 CB GLU A 10 15.291 -10.041 -2.039 1.00 0.00 C ATOM 96 CG GLU A 10 15.156 -11.535 -1.790 1.00 0.00 C ATOM 97 CD GLU A 10 16.491 -12.254 -1.825 1.00 0.00 C ATOM 98 OE1 GLU A 10 17.517 -11.617 -1.508 1.00 0.00 O ATOM 99 OE2 GLU A 10 16.508 -13.455 -2.169 1.00 0.00 O ATOM 0 H GLU A 10 14.121 -9.994 -4.456 1.00 0.00 H new ATOM 0 HA GLU A 10 13.243 -9.508 -1.670 1.00 0.00 H new ATOM 0 HB2 GLU A 10 16.039 -9.876 -2.814 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.661 -9.562 -1.132 1.00 0.00 H new ATOM 0 HG2 GLU A 10 14.685 -11.697 -0.820 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.495 -11.967 -2.541 1.00 0.00 H new ATOM 106 N GLY A 11 13.574 -7.068 -1.809 1.00 0.00 N ATOM 107 CA GLY A 11 13.716 -5.627 -1.908 1.00 0.00 C ATOM 108 C GLY A 11 13.589 -4.939 -0.563 1.00 0.00 C ATOM 109 O GLY A 11 14.082 -5.440 0.446 1.00 0.00 O ATOM 0 H GLY A 11 12.966 -7.388 -1.055 1.00 0.00 H new ATOM 0 HA2 GLY A 11 14.686 -5.390 -2.344 1.00 0.00 H new ATOM 0 HA3 GLY A 11 12.957 -5.236 -2.586 1.00 0.00 H new ATOM 113 N GLN A 12 12.928 -3.786 -0.551 1.00 0.00 N ATOM 114 CA GLN A 12 12.740 -3.026 0.679 1.00 0.00 C ATOM 115 C GLN A 12 11.268 -2.985 1.074 1.00 0.00 C ATOM 116 O GLN A 12 10.440 -2.409 0.368 1.00 0.00 O ATOM 117 CB GLN A 12 13.276 -1.603 0.512 1.00 0.00 C ATOM 118 CG GLN A 12 14.769 -1.544 0.231 1.00 0.00 C ATOM 119 CD GLN A 12 15.596 -2.176 1.333 1.00 0.00 C ATOM 120 OE1 GLN A 12 15.074 -2.529 2.392 1.00 0.00 O ATOM 121 NE2 GLN A 12 16.893 -2.322 1.091 1.00 0.00 N ATOM 0 H GLN A 12 12.514 -3.358 -1.379 1.00 0.00 H new ATOM 0 HA GLN A 12 13.296 -3.525 1.473 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.742 -1.116 -0.304 1.00 0.00 H new ATOM 0 HB3 GLN A 12 13.062 -1.035 1.417 1.00 0.00 H new ATOM 0 HG2 GLN A 12 14.978 -2.051 -0.711 1.00 0.00 H new ATOM 0 HG3 GLN A 12 15.071 -0.504 0.107 1.00 0.00 H new ATOM 0 HE21 GLN A 12 17.283 -2.016 0.200 1.00 0.00 H new ATOM 0 HE22 GLN A 12 17.499 -2.741 1.796 1.00 0.00 H new ATOM 130 N LYS A 13 10.947 -3.600 2.208 1.00 0.00 N ATOM 131 CA LYS A 13 9.574 -3.633 2.698 1.00 0.00 C ATOM 132 C LYS A 13 9.065 -2.224 2.985 1.00 0.00 C ATOM 133 O LYS A 13 9.399 -1.629 4.009 1.00 0.00 O ATOM 134 CB LYS A 13 9.485 -4.487 3.965 1.00 0.00 C ATOM 135 CG LYS A 13 10.083 -5.874 3.808 1.00 0.00 C ATOM 136 CD LYS A 13 10.471 -6.470 5.150 1.00 0.00 C ATOM 137 CE LYS A 13 11.746 -5.842 5.692 1.00 0.00 C ATOM 138 NZ LYS A 13 12.938 -6.219 4.882 1.00 0.00 N ATOM 0 H LYS A 13 11.619 -4.082 2.805 1.00 0.00 H new ATOM 0 HA LYS A 13 8.948 -4.075 1.923 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.996 -3.970 4.778 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.439 -4.583 4.256 1.00 0.00 H new ATOM 0 HG2 LYS A 13 9.364 -6.527 3.313 1.00 0.00 H new ATOM 0 HG3 LYS A 13 10.961 -5.822 3.165 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.660 -6.322 5.863 1.00 0.00 H new ATOM 0 HD3 LYS A 13 10.611 -7.546 5.045 1.00 0.00 H new ATOM 0 HE2 LYS A 13 11.641 -4.757 5.701 1.00 0.00 H new ATOM 0 HE3 LYS A 13 11.895 -6.156 6.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 13.803 -6.023 5.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.895 -7.232 4.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 12.949 -5.665 4.002 1.00 0.00 H new ATOM 152 N VAL A 14 8.252 -1.697 2.074 1.00 0.00 N ATOM 153 CA VAL A 14 7.694 -0.360 2.231 1.00 0.00 C ATOM 154 C VAL A 14 6.170 -0.396 2.224 1.00 0.00 C ATOM 155 O VAL A 14 5.546 -0.508 1.169 1.00 0.00 O ATOM 156 CB VAL A 14 8.179 0.585 1.115 1.00 0.00 C ATOM 157 CG1 VAL A 14 7.969 -0.050 -0.251 1.00 0.00 C ATOM 158 CG2 VAL A 14 7.465 1.926 1.205 1.00 0.00 C ATOM 0 H VAL A 14 7.966 -2.176 1.220 1.00 0.00 H new ATOM 0 HA VAL A 14 8.041 0.017 3.193 1.00 0.00 H new ATOM 0 HB VAL A 14 9.247 0.758 1.248 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.317 0.632 -1.027 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.530 -0.983 -0.309 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.909 -0.255 -0.398 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.820 2.581 0.409 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.391 1.774 1.098 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.672 2.384 2.172 1.00 0.00 H new ATOM 168 N ASP A 15 5.576 -0.300 3.409 1.00 0.00 N ATOM 169 CA ASP A 15 4.124 -0.320 3.540 1.00 0.00 C ATOM 170 C ASP A 15 3.535 -1.560 2.874 1.00 0.00 C ATOM 171 O ASP A 15 2.576 -1.469 2.107 1.00 0.00 O ATOM 172 CB ASP A 15 3.517 0.942 2.924 1.00 0.00 C ATOM 173 CG ASP A 15 3.540 2.120 3.877 1.00 0.00 C ATOM 174 OD1 ASP A 15 3.554 1.890 5.104 1.00 0.00 O ATOM 175 OD2 ASP A 15 3.544 3.273 3.396 1.00 0.00 O ATOM 0 H ASP A 15 6.078 -0.208 4.292 1.00 0.00 H new ATOM 0 HA ASP A 15 3.880 -0.350 4.602 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.065 1.201 2.018 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.488 0.739 2.627 1.00 0.00 H new ATOM 180 N HIS A 16 4.117 -2.717 3.171 1.00 0.00 N ATOM 181 CA HIS A 16 3.650 -3.976 2.600 1.00 0.00 C ATOM 182 C HIS A 16 2.508 -4.557 3.428 1.00 0.00 C ATOM 183 O HIS A 16 2.572 -4.590 4.657 1.00 0.00 O ATOM 184 CB HIS A 16 4.800 -4.981 2.520 1.00 0.00 C ATOM 185 CG HIS A 16 5.749 -4.717 1.392 1.00 0.00 C ATOM 186 ND1 HIS A 16 6.203 -5.704 0.543 1.00 0.00 N ATOM 187 CD2 HIS A 16 6.329 -3.568 0.975 1.00 0.00 C ATOM 188 CE1 HIS A 16 7.023 -5.174 -0.346 1.00 0.00 C ATOM 189 NE2 HIS A 16 7.116 -3.878 -0.107 1.00 0.00 N ATOM 0 H HIS A 16 4.912 -2.809 3.803 1.00 0.00 H new ATOM 0 HA HIS A 16 3.281 -3.776 1.594 1.00 0.00 H new ATOM 0 HB2 HIS A 16 5.352 -4.964 3.460 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.388 -5.984 2.410 1.00 0.00 H new ATOM 0 HD1 HIS A 16 5.946 -6.690 0.594 1.00 0.00 H new ATOM 0 HD2 HIS A 16 6.198 -2.589 1.412 1.00 0.00 H new ATOM 0 HE1 HIS A 16 7.531 -5.709 -1.135 1.00 0.00 H new ATOM 198 N CYS A 17 1.462 -5.013 2.746 1.00 0.00 N ATOM 199 CA CYS A 17 0.304 -5.592 3.417 1.00 0.00 C ATOM 200 C CYS A 17 0.714 -6.783 4.277 1.00 0.00 C ATOM 201 O CYS A 17 1.267 -7.762 3.778 1.00 0.00 O ATOM 202 CB CYS A 17 -0.742 -6.026 2.389 1.00 0.00 C ATOM 203 SG CYS A 17 -2.364 -6.440 3.109 1.00 0.00 S ATOM 0 H CYS A 17 1.393 -4.993 1.729 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.129 -4.830 4.066 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.873 -5.226 1.660 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.365 -6.893 1.847 1.00 0.00 H new ATOM 208 N ALA A 18 0.436 -6.693 5.574 1.00 0.00 N ATOM 209 CA ALA A 18 0.773 -7.763 6.504 1.00 0.00 C ATOM 210 C ALA A 18 -0.027 -9.026 6.201 1.00 0.00 C ATOM 211 O ALA A 18 0.235 -10.089 6.764 1.00 0.00 O ATOM 212 CB ALA A 18 0.530 -7.314 7.937 1.00 0.00 C ATOM 0 H ALA A 18 -0.022 -5.889 6.004 1.00 0.00 H new ATOM 0 HA ALA A 18 1.831 -7.996 6.382 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.786 -8.124 8.620 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.150 -6.445 8.156 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.520 -7.052 8.063 1.00 0.00 H new ATOM 218 N ARG A 19 -1.005 -8.901 5.309 1.00 0.00 N ATOM 219 CA ARG A 19 -1.845 -10.032 4.934 1.00 0.00 C ATOM 220 C ARG A 19 -1.282 -10.743 3.707 1.00 0.00 C ATOM 221 O ARG A 19 -1.048 -11.952 3.730 1.00 0.00 O ATOM 222 CB ARG A 19 -3.274 -9.562 4.653 1.00 0.00 C ATOM 223 CG ARG A 19 -4.163 -10.640 4.054 1.00 0.00 C ATOM 224 CD ARG A 19 -5.609 -10.180 3.961 1.00 0.00 C ATOM 225 NE ARG A 19 -6.529 -11.301 3.785 1.00 0.00 N ATOM 226 CZ ARG A 19 -6.904 -12.106 4.773 1.00 0.00 C ATOM 227 NH1 ARG A 19 -6.440 -11.914 6.001 1.00 0.00 N ATOM 228 NH2 ARG A 19 -7.745 -13.104 4.535 1.00 0.00 N ATOM 0 H ARG A 19 -1.235 -8.029 4.833 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.858 -10.735 5.767 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.721 -9.209 5.583 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.240 -8.711 3.973 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.799 -10.903 3.061 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.105 -11.542 4.664 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.874 -9.632 4.865 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.716 -9.488 3.126 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.904 -11.475 2.853 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.794 -11.147 6.188 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.729 -12.533 6.758 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.105 -13.254 3.592 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.032 -13.721 5.295 1.00 0.00 H new ATOM 242 N HIS A 20 -1.067 -9.985 2.636 1.00 0.00 N ATOM 243 CA HIS A 20 -0.531 -10.543 1.400 1.00 0.00 C ATOM 244 C HIS A 20 0.967 -10.278 1.288 1.00 0.00 C ATOM 245 O HIS A 20 1.730 -11.141 0.857 1.00 0.00 O ATOM 246 CB HIS A 20 -1.258 -9.951 0.191 1.00 0.00 C ATOM 247 CG HIS A 20 -2.748 -10.078 0.267 1.00 0.00 C ATOM 248 ND1 HIS A 20 -3.553 -9.144 0.884 1.00 0.00 N ATOM 249 CD2 HIS A 20 -3.580 -11.037 -0.203 1.00 0.00 C ATOM 250 CE1 HIS A 20 -4.815 -9.523 0.792 1.00 0.00 C ATOM 251 NE2 HIS A 20 -4.858 -10.669 0.136 1.00 0.00 N ATOM 0 H HIS A 20 -1.256 -8.983 2.600 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.690 -11.621 1.418 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -0.996 -8.897 0.100 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -0.905 -10.447 -0.713 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -3.292 -11.926 -0.744 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -5.666 -8.988 1.186 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -5.704 -11.195 -0.083 1.00 0.00 H new ATOM 259 N GLY A 21 1.381 -9.076 1.678 1.00 0.00 N ATOM 260 CA GLY A 21 2.786 -8.718 1.613 1.00 0.00 C ATOM 261 C GLY A 21 3.110 -7.859 0.407 1.00 0.00 C ATOM 262 O GLY A 21 4.278 -7.609 0.111 1.00 0.00 O ATOM 0 H GLY A 21 0.768 -8.344 2.038 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.064 -8.183 2.521 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.388 -9.626 1.581 1.00 0.00 H new ATOM 266 N GLU A 22 2.073 -7.408 -0.292 1.00 0.00 N ATOM 267 CA GLU A 22 2.255 -6.574 -1.475 1.00 0.00 C ATOM 268 C GLU A 22 2.431 -5.109 -1.086 1.00 0.00 C ATOM 269 O GLU A 22 1.902 -4.656 -0.071 1.00 0.00 O ATOM 270 CB GLU A 22 1.060 -6.723 -2.419 1.00 0.00 C ATOM 271 CG GLU A 22 1.233 -7.824 -3.452 1.00 0.00 C ATOM 272 CD GLU A 22 1.850 -9.080 -2.868 1.00 0.00 C ATOM 273 OE1 GLU A 22 3.088 -9.115 -2.710 1.00 0.00 O ATOM 274 OE2 GLU A 22 1.094 -10.027 -2.568 1.00 0.00 O ATOM 0 H GLU A 22 1.100 -7.606 -0.060 1.00 0.00 H new ATOM 0 HA GLU A 22 3.158 -6.906 -1.988 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.166 -6.927 -1.830 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.894 -5.777 -2.934 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.262 -8.068 -3.884 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.861 -7.459 -4.265 1.00 0.00 H new ATOM 281 N LYS A 23 3.178 -4.372 -1.901 1.00 0.00 N ATOM 282 CA LYS A 23 3.425 -2.958 -1.645 1.00 0.00 C ATOM 283 C LYS A 23 2.122 -2.165 -1.672 1.00 0.00 C ATOM 284 O LYS A 23 1.388 -2.190 -2.661 1.00 0.00 O ATOM 285 CB LYS A 23 4.399 -2.394 -2.682 1.00 0.00 C ATOM 286 CG LYS A 23 5.626 -3.263 -2.900 1.00 0.00 C ATOM 287 CD LYS A 23 6.427 -2.804 -4.107 1.00 0.00 C ATOM 288 CE LYS A 23 7.379 -1.674 -3.746 1.00 0.00 C ATOM 289 NZ LYS A 23 8.338 -1.384 -4.848 1.00 0.00 N ATOM 0 H LYS A 23 3.623 -4.731 -2.745 1.00 0.00 H new ATOM 0 HA LYS A 23 3.866 -2.865 -0.653 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.876 -2.273 -3.631 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.719 -1.401 -2.366 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.256 -3.234 -2.011 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.319 -4.300 -3.039 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.993 -3.644 -4.510 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.747 -2.472 -4.892 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.806 -0.775 -3.517 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.931 -1.938 -2.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.970 -0.608 -4.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.903 -2.234 -5.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.812 -1.107 -5.702 1.00 0.00 H new ATOM 303 N LEU A 24 1.841 -1.462 -0.581 1.00 0.00 N ATOM 304 CA LEU A 24 0.627 -0.659 -0.480 1.00 0.00 C ATOM 305 C LEU A 24 0.818 0.704 -1.138 1.00 0.00 C ATOM 306 O LEU A 24 1.444 1.598 -0.568 1.00 0.00 O ATOM 307 CB LEU A 24 0.232 -0.479 0.987 1.00 0.00 C ATOM 308 CG LEU A 24 -0.123 -1.756 1.749 1.00 0.00 C ATOM 309 CD1 LEU A 24 -0.088 -1.510 3.249 1.00 0.00 C ATOM 310 CD2 LEU A 24 -1.491 -2.269 1.322 1.00 0.00 C ATOM 0 H LEU A 24 2.437 -1.431 0.246 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.171 -1.185 -1.003 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.055 0.013 1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.622 0.196 1.032 1.00 0.00 H new ATOM 0 HG LEU A 24 0.619 -2.517 1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.343 -2.430 3.775 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.912 -1.190 3.542 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.808 -0.733 3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.727 -3.178 1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.246 -1.511 1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.481 -2.486 0.254 1.00 0.00 H new ATOM 322 N LEU A 25 0.274 0.856 -2.340 1.00 0.00 N ATOM 323 CA LEU A 25 0.383 2.111 -3.076 1.00 0.00 C ATOM 324 C LEU A 25 -0.992 2.733 -3.297 1.00 0.00 C ATOM 325 O LEU A 25 -1.113 3.802 -3.897 1.00 0.00 O ATOM 326 CB LEU A 25 1.071 1.877 -4.422 1.00 0.00 C ATOM 327 CG LEU A 25 2.423 1.165 -4.370 1.00 0.00 C ATOM 328 CD1 LEU A 25 2.890 0.803 -5.771 1.00 0.00 C ATOM 329 CD2 LEU A 25 3.457 2.034 -3.669 1.00 0.00 C ATOM 0 H LEU A 25 -0.247 0.126 -2.826 1.00 0.00 H new ATOM 0 HA LEU A 25 0.983 2.801 -2.483 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.400 1.295 -5.054 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.210 2.842 -4.909 1.00 0.00 H new ATOM 0 HG LEU A 25 2.305 0.244 -3.799 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.854 0.297 -5.714 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.160 0.142 -6.238 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.991 1.710 -6.367 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.413 1.511 -3.641 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.572 2.972 -4.212 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.128 2.242 -2.651 1.00 0.00 H new ATOM 341 N LEU A 26 -2.027 2.060 -2.805 1.00 0.00 N ATOM 342 CA LEU A 26 -3.394 2.548 -2.946 1.00 0.00 C ATOM 343 C LEU A 26 -3.963 2.971 -1.595 1.00 0.00 C ATOM 344 O LEU A 26 -3.430 2.612 -0.545 1.00 0.00 O ATOM 345 CB LEU A 26 -4.280 1.468 -3.570 1.00 0.00 C ATOM 346 CG LEU A 26 -3.779 0.865 -4.882 1.00 0.00 C ATOM 347 CD1 LEU A 26 -4.505 -0.437 -5.182 1.00 0.00 C ATOM 348 CD2 LEU A 26 -3.958 1.853 -6.026 1.00 0.00 C ATOM 0 H LEU A 26 -1.945 1.175 -2.305 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.377 3.419 -3.601 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.401 0.662 -2.846 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.269 1.893 -3.743 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.716 0.649 -4.778 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.135 -0.852 -6.120 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.326 -1.148 -4.375 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.575 -0.246 -5.266 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.596 1.407 -6.952 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.014 2.100 -6.131 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.392 2.760 -5.815 1.00 0.00 H new ATOM 360 N PHE A 27 -5.050 3.735 -1.630 1.00 0.00 N ATOM 361 CA PHE A 27 -5.693 4.206 -0.409 1.00 0.00 C ATOM 362 C PHE A 27 -7.211 4.098 -0.516 1.00 0.00 C ATOM 363 O PHE A 27 -7.849 4.860 -1.243 1.00 0.00 O ATOM 364 CB PHE A 27 -5.292 5.655 -0.123 1.00 0.00 C ATOM 365 CG PHE A 27 -5.718 6.138 1.234 1.00 0.00 C ATOM 366 CD1 PHE A 27 -7.014 6.576 1.453 1.00 0.00 C ATOM 367 CD2 PHE A 27 -4.823 6.154 2.291 1.00 0.00 C ATOM 368 CE1 PHE A 27 -7.410 7.021 2.700 1.00 0.00 C ATOM 369 CE2 PHE A 27 -5.213 6.597 3.541 1.00 0.00 C ATOM 370 CZ PHE A 27 -6.507 7.032 3.745 1.00 0.00 C ATOM 0 H PHE A 27 -5.504 4.041 -2.491 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.359 3.574 0.414 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.209 5.748 -0.210 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.729 6.302 -0.884 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.724 6.570 0.639 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.809 5.816 2.137 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -8.423 7.359 2.857 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.506 6.603 4.357 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.813 7.380 4.720 1.00 0.00 H new ATOM 380 N CYS A 28 -7.783 3.145 0.212 1.00 0.00 N ATOM 381 CA CYS A 28 -9.226 2.934 0.199 1.00 0.00 C ATOM 382 C CYS A 28 -9.950 4.090 0.883 1.00 0.00 C ATOM 383 O CYS A 28 -9.611 4.471 2.003 1.00 0.00 O ATOM 384 CB CYS A 28 -9.576 1.616 0.892 1.00 0.00 C ATOM 385 SG CYS A 28 -11.107 0.839 0.282 1.00 0.00 S ATOM 0 H CYS A 28 -7.269 2.506 0.819 1.00 0.00 H new ATOM 0 HA CYS A 28 -9.553 2.888 -0.840 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -8.749 0.918 0.760 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.674 1.796 1.963 1.00 0.00 H new ATOM 390 N GLN A 29 -10.949 4.642 0.202 1.00 0.00 N ATOM 391 CA GLN A 29 -11.721 5.754 0.744 1.00 0.00 C ATOM 392 C GLN A 29 -12.851 5.248 1.634 1.00 0.00 C ATOM 393 O GLN A 29 -13.110 5.806 2.700 1.00 0.00 O ATOM 394 CB GLN A 29 -12.291 6.607 -0.390 1.00 0.00 C ATOM 395 CG GLN A 29 -11.302 7.617 -0.948 1.00 0.00 C ATOM 396 CD GLN A 29 -11.288 8.915 -0.165 1.00 0.00 C ATOM 397 OE1 GLN A 29 -11.583 8.935 1.031 1.00 0.00 O ATOM 398 NE2 GLN A 29 -10.945 10.008 -0.836 1.00 0.00 N ATOM 0 H GLN A 29 -11.243 4.337 -0.726 1.00 0.00 H new ATOM 0 HA GLN A 29 -11.053 6.367 1.349 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.622 5.951 -1.196 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.172 7.136 -0.028 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.302 7.183 -0.941 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.551 7.827 -1.988 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -10.708 9.945 -1.826 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.918 10.910 -0.361 1.00 0.00 H new ATOM 407 N GLU A 30 -13.521 4.190 1.189 1.00 0.00 N ATOM 408 CA GLU A 30 -14.624 3.611 1.946 1.00 0.00 C ATOM 409 C GLU A 30 -14.172 3.211 3.348 1.00 0.00 C ATOM 410 O GLU A 30 -14.890 3.420 4.326 1.00 0.00 O ATOM 411 CB GLU A 30 -15.190 2.392 1.214 1.00 0.00 C ATOM 412 CG GLU A 30 -15.864 2.733 -0.105 1.00 0.00 C ATOM 413 CD GLU A 30 -16.975 1.764 -0.460 1.00 0.00 C ATOM 414 OE1 GLU A 30 -17.787 1.442 0.433 1.00 0.00 O ATOM 415 OE2 GLU A 30 -17.033 1.329 -1.628 1.00 0.00 O ATOM 0 H GLU A 30 -13.319 3.717 0.308 1.00 0.00 H new ATOM 0 HA GLU A 30 -15.404 4.367 2.036 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.383 1.684 1.027 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -15.910 1.892 1.862 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.271 3.743 -0.050 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.119 2.733 -0.900 1.00 0.00 H new ATOM 422 N ASP A 31 -12.978 2.636 3.436 1.00 0.00 N ATOM 423 CA ASP A 31 -12.429 2.207 4.717 1.00 0.00 C ATOM 424 C ASP A 31 -11.393 3.205 5.226 1.00 0.00 C ATOM 425 O ASP A 31 -11.098 3.255 6.419 1.00 0.00 O ATOM 426 CB ASP A 31 -11.798 0.820 4.587 1.00 0.00 C ATOM 427 CG ASP A 31 -12.824 -0.258 4.298 1.00 0.00 C ATOM 428 OD1 ASP A 31 -13.420 -0.783 5.262 1.00 0.00 O ATOM 429 OD2 ASP A 31 -13.031 -0.577 3.109 1.00 0.00 O ATOM 0 H ASP A 31 -12.372 2.456 2.636 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.246 2.160 5.437 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.056 0.835 3.788 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.269 0.577 5.509 1.00 0.00 H new ATOM 434 N GLY A 32 -10.843 3.998 4.311 1.00 0.00 N ATOM 435 CA GLY A 32 -9.846 4.983 4.686 1.00 0.00 C ATOM 436 C GLY A 32 -8.532 4.349 5.100 1.00 0.00 C ATOM 437 O GLY A 32 -7.808 4.892 5.934 1.00 0.00 O ATOM 0 H GLY A 32 -11.070 3.975 3.317 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.672 5.657 3.847 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.229 5.588 5.508 1.00 0.00 H new ATOM 441 N LYS A 33 -8.224 3.195 4.517 1.00 0.00 N ATOM 442 CA LYS A 33 -6.990 2.485 4.830 1.00 0.00 C ATOM 443 C LYS A 33 -6.287 2.029 3.555 1.00 0.00 C ATOM 444 O LYS A 33 -6.933 1.724 2.553 1.00 0.00 O ATOM 445 CB LYS A 33 -7.284 1.278 5.723 1.00 0.00 C ATOM 446 CG LYS A 33 -8.426 0.413 5.219 1.00 0.00 C ATOM 447 CD LYS A 33 -7.922 -0.725 4.347 1.00 0.00 C ATOM 448 CE LYS A 33 -7.550 -1.943 5.180 1.00 0.00 C ATOM 449 NZ LYS A 33 -6.086 -2.009 5.443 1.00 0.00 N ATOM 0 H LYS A 33 -8.813 2.732 3.825 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.331 3.170 5.362 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.384 0.668 5.802 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.521 1.629 6.727 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.977 0.006 6.067 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.124 1.027 4.650 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.690 -0.998 3.624 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.053 -0.392 3.779 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.088 -1.913 6.127 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.867 -2.848 4.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.800 -3.001 5.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.570 -1.599 4.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.864 -1.473 6.306 1.00 0.00 H new ATOM 463 N VAL A 34 -4.959 1.983 3.601 1.00 0.00 N ATOM 464 CA VAL A 34 -4.169 1.562 2.451 1.00 0.00 C ATOM 465 C VAL A 34 -4.351 0.074 2.174 1.00 0.00 C ATOM 466 O VAL A 34 -4.336 -0.745 3.094 1.00 0.00 O ATOM 467 CB VAL A 34 -2.671 1.854 2.661 1.00 0.00 C ATOM 468 CG1 VAL A 34 -2.353 3.298 2.306 1.00 0.00 C ATOM 469 CG2 VAL A 34 -2.265 1.547 4.095 1.00 0.00 C ATOM 0 H VAL A 34 -4.408 2.232 4.423 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.527 2.135 1.595 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.096 1.207 1.998 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.290 3.485 2.461 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.605 3.480 1.261 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.935 3.966 2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.204 1.759 4.226 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.846 2.167 4.778 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.454 0.495 4.309 1.00 0.00 H new ATOM 479 N ILE A 35 -4.522 -0.269 0.902 1.00 0.00 N ATOM 480 CA ILE A 35 -4.706 -1.660 0.505 1.00 0.00 C ATOM 481 C ILE A 35 -3.865 -1.996 -0.722 1.00 0.00 C ATOM 482 O ILE A 35 -3.500 -1.114 -1.499 1.00 0.00 O ATOM 483 CB ILE A 35 -6.184 -1.968 0.200 1.00 0.00 C ATOM 484 CG1 ILE A 35 -6.640 -1.207 -1.046 1.00 0.00 C ATOM 485 CG2 ILE A 35 -7.056 -1.610 1.394 1.00 0.00 C ATOM 486 CD1 ILE A 35 -7.951 -1.706 -1.613 1.00 0.00 C ATOM 0 H ILE A 35 -4.537 0.396 0.129 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.382 -2.274 1.345 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.285 -3.036 0.007 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.739 -0.150 -0.800 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.869 -1.285 -1.812 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.098 -1.833 1.164 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.743 -2.192 2.261 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.953 -0.548 1.614 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.212 -1.121 -2.495 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.851 -2.755 -1.891 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.735 -1.602 -0.863 1.00 0.00 H new ATOM 498 N CYS A 36 -3.562 -3.279 -0.892 1.00 0.00 N ATOM 499 CA CYS A 36 -2.766 -3.734 -2.025 1.00 0.00 C ATOM 500 C CYS A 36 -3.659 -4.304 -3.123 1.00 0.00 C ATOM 501 O CYS A 36 -4.870 -4.437 -2.946 1.00 0.00 O ATOM 502 CB CYS A 36 -1.757 -4.792 -1.573 1.00 0.00 C ATOM 503 SG CYS A 36 -2.507 -6.227 -0.739 1.00 0.00 S ATOM 0 H CYS A 36 -3.856 -4.022 -0.258 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.228 -2.876 -2.428 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.199 -5.141 -2.442 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.038 -4.328 -0.898 1.00 0.00 H new ATOM 508 N TRP A 37 -3.052 -4.637 -4.257 1.00 0.00 N ATOM 509 CA TRP A 37 -3.792 -5.192 -5.385 1.00 0.00 C ATOM 510 C TRP A 37 -4.712 -6.319 -4.930 1.00 0.00 C ATOM 511 O TRP A 37 -5.936 -6.211 -5.023 1.00 0.00 O ATOM 512 CB TRP A 37 -2.824 -5.707 -6.452 1.00 0.00 C ATOM 513 CG TRP A 37 -1.494 -5.016 -6.430 1.00 0.00 C ATOM 514 CD1 TRP A 37 -0.265 -5.607 -6.352 1.00 0.00 C ATOM 515 CD2 TRP A 37 -1.260 -3.605 -6.485 1.00 0.00 C ATOM 516 NE1 TRP A 37 0.718 -4.648 -6.355 1.00 0.00 N ATOM 517 CE2 TRP A 37 0.134 -3.411 -6.437 1.00 0.00 C ATOM 518 CE3 TRP A 37 -2.093 -2.486 -6.572 1.00 0.00 C ATOM 519 CZ2 TRP A 37 0.712 -2.145 -6.471 1.00 0.00 C ATOM 520 CZ3 TRP A 37 -1.518 -1.229 -6.606 1.00 0.00 C ATOM 521 CH2 TRP A 37 -0.127 -1.067 -6.556 1.00 0.00 C ATOM 0 H TRP A 37 -2.050 -4.532 -4.420 1.00 0.00 H new ATOM 0 HA TRP A 37 -4.404 -4.398 -5.812 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -2.672 -6.777 -6.309 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.276 -5.578 -7.435 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.092 -6.672 -6.296 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.721 -4.827 -6.304 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -3.166 -2.601 -6.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.784 -2.018 -6.432 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -2.152 -0.357 -6.672 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.291 -0.072 -6.585 1.00 0.00 H new ATOM 532 N LEU A 38 -4.118 -7.401 -4.438 1.00 0.00 N ATOM 533 CA LEU A 38 -4.886 -8.549 -3.968 1.00 0.00 C ATOM 534 C LEU A 38 -6.057 -8.102 -3.099 1.00 0.00 C ATOM 535 O LEU A 38 -7.157 -8.646 -3.193 1.00 0.00 O ATOM 536 CB LEU A 38 -3.985 -9.501 -3.179 1.00 0.00 C ATOM 537 CG LEU A 38 -2.639 -9.838 -3.822 1.00 0.00 C ATOM 538 CD1 LEU A 38 -2.035 -11.077 -3.178 1.00 0.00 C ATOM 539 CD2 LEU A 38 -2.799 -10.039 -5.322 1.00 0.00 C ATOM 0 H LEU A 38 -3.107 -7.507 -4.354 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.282 -9.071 -4.839 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.797 -9.063 -2.199 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.529 -10.431 -3.014 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.961 -9.001 -3.658 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.078 -11.302 -3.648 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.883 -10.897 -2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.711 -11.922 -3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.831 -10.278 -5.762 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.494 -10.858 -5.507 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.187 -9.125 -5.772 1.00 0.00 H new ATOM 551 N CYS A 39 -5.813 -7.106 -2.253 1.00 0.00 N ATOM 552 CA CYS A 39 -6.847 -6.583 -1.368 1.00 0.00 C ATOM 553 C CYS A 39 -7.959 -5.910 -2.168 1.00 0.00 C ATOM 554 O CYS A 39 -9.137 -6.213 -1.987 1.00 0.00 O ATOM 555 CB CYS A 39 -6.243 -5.588 -0.376 1.00 0.00 C ATOM 556 SG CYS A 39 -5.632 -6.350 1.162 1.00 0.00 S ATOM 0 H CYS A 39 -4.908 -6.645 -2.162 1.00 0.00 H new ATOM 0 HA CYS A 39 -7.276 -7.420 -0.817 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.420 -5.062 -0.860 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -6.995 -4.840 -0.125 1.00 0.00 H new ATOM 561 N GLU A 40 -7.573 -4.995 -3.052 1.00 0.00 N ATOM 562 CA GLU A 40 -8.537 -4.279 -3.879 1.00 0.00 C ATOM 563 C GLU A 40 -9.409 -5.253 -4.667 1.00 0.00 C ATOM 564 O GLU A 40 -10.623 -5.078 -4.762 1.00 0.00 O ATOM 565 CB GLU A 40 -7.815 -3.333 -4.840 1.00 0.00 C ATOM 566 CG GLU A 40 -8.725 -2.723 -5.893 1.00 0.00 C ATOM 567 CD GLU A 40 -8.145 -1.464 -6.508 1.00 0.00 C ATOM 568 OE1 GLU A 40 -7.255 -0.853 -5.879 1.00 0.00 O ATOM 569 OE2 GLU A 40 -8.580 -1.089 -7.616 1.00 0.00 O ATOM 0 H GLU A 40 -6.601 -4.732 -3.214 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.179 -3.695 -3.219 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.349 -2.532 -4.266 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.012 -3.877 -5.337 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.907 -3.456 -6.679 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.690 -2.491 -5.443 1.00 0.00 H new ATOM 576 N ARG A 41 -8.779 -6.279 -5.229 1.00 0.00 N ATOM 577 CA ARG A 41 -9.496 -7.280 -6.010 1.00 0.00 C ATOM 578 C ARG A 41 -10.248 -8.245 -5.098 1.00 0.00 C ATOM 579 O ARG A 41 -11.069 -9.038 -5.559 1.00 0.00 O ATOM 580 CB ARG A 41 -8.523 -8.057 -6.899 1.00 0.00 C ATOM 581 CG ARG A 41 -7.747 -9.134 -6.158 1.00 0.00 C ATOM 582 CD ARG A 41 -6.814 -9.890 -7.091 1.00 0.00 C ATOM 583 NE ARG A 41 -6.485 -11.217 -6.579 1.00 0.00 N ATOM 584 CZ ARG A 41 -5.781 -12.114 -7.260 1.00 0.00 C ATOM 585 NH1 ARG A 41 -5.332 -11.827 -8.474 1.00 0.00 N ATOM 586 NH2 ARG A 41 -5.523 -13.301 -6.726 1.00 0.00 N ATOM 0 H ARG A 41 -7.774 -6.439 -5.158 1.00 0.00 H new ATOM 0 HA ARG A 41 -10.220 -6.763 -6.640 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -9.079 -8.518 -7.715 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.818 -7.358 -7.349 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.169 -8.679 -5.354 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -8.444 -9.832 -5.694 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.281 -9.985 -8.071 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.897 -9.317 -7.229 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.814 -11.469 -5.647 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.527 -10.915 -8.887 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.792 -12.518 -8.994 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.865 -13.525 -5.792 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.982 -13.989 -7.250 1.00 0.00 H new ATOM 600 N SER A 42 -9.962 -8.171 -3.802 1.00 0.00 N ATOM 601 CA SER A 42 -10.608 -9.040 -2.825 1.00 0.00 C ATOM 602 C SER A 42 -12.024 -8.559 -2.524 1.00 0.00 C ATOM 603 O SER A 42 -12.260 -7.365 -2.345 1.00 0.00 O ATOM 604 CB SER A 42 -9.788 -9.090 -1.535 1.00 0.00 C ATOM 605 OG SER A 42 -10.153 -10.206 -0.742 1.00 0.00 O ATOM 0 H SER A 42 -9.287 -7.518 -3.404 1.00 0.00 H new ATOM 0 HA SER A 42 -10.666 -10.043 -3.248 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.727 -9.143 -1.777 1.00 0.00 H new ATOM 0 HB3 SER A 42 -9.940 -8.172 -0.968 1.00 0.00 H new ATOM 0 HG SER A 42 -9.613 -10.216 0.076 1.00 0.00 H new ATOM 611 N GLN A 43 -12.962 -9.499 -2.469 1.00 0.00 N ATOM 612 CA GLN A 43 -14.355 -9.172 -2.190 1.00 0.00 C ATOM 613 C GLN A 43 -14.469 -8.281 -0.958 1.00 0.00 C ATOM 614 O GLN A 43 -15.489 -7.626 -0.747 1.00 0.00 O ATOM 615 CB GLN A 43 -15.170 -10.451 -1.986 1.00 0.00 C ATOM 616 CG GLN A 43 -16.653 -10.198 -1.766 1.00 0.00 C ATOM 617 CD GLN A 43 -17.376 -11.412 -1.217 1.00 0.00 C ATOM 618 OE1 GLN A 43 -17.945 -12.203 -1.970 1.00 0.00 O ATOM 619 NE2 GLN A 43 -17.358 -11.566 0.102 1.00 0.00 N ATOM 0 H GLN A 43 -12.783 -10.493 -2.614 1.00 0.00 H new ATOM 0 HA GLN A 43 -14.753 -8.628 -3.047 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -15.045 -11.095 -2.857 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -14.771 -10.993 -1.129 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -16.777 -9.363 -1.076 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -17.111 -9.903 -2.710 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -16.874 -10.886 0.688 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -17.828 -12.364 0.529 1.00 0.00 H new ATOM 628 N GLU A 44 -13.415 -8.261 -0.149 1.00 0.00 N ATOM 629 CA GLU A 44 -13.398 -7.450 1.063 1.00 0.00 C ATOM 630 C GLU A 44 -13.330 -5.965 0.723 1.00 0.00 C ATOM 631 O GLU A 44 -14.030 -5.147 1.320 1.00 0.00 O ATOM 632 CB GLU A 44 -12.210 -7.838 1.946 1.00 0.00 C ATOM 633 CG GLU A 44 -12.189 -9.308 2.329 1.00 0.00 C ATOM 634 CD GLU A 44 -12.959 -9.590 3.604 1.00 0.00 C ATOM 635 OE1 GLU A 44 -13.191 -8.640 4.380 1.00 0.00 O ATOM 636 OE2 GLU A 44 -13.330 -10.762 3.825 1.00 0.00 O ATOM 0 H GLU A 44 -12.562 -8.797 -0.310 1.00 0.00 H new ATOM 0 HA GLU A 44 -14.323 -7.638 1.608 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.285 -7.595 1.423 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.231 -7.235 2.854 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.612 -9.897 1.516 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.156 -9.632 2.454 1.00 0.00 H new ATOM 643 N HIS A 45 -12.481 -5.623 -0.241 1.00 0.00 N ATOM 644 CA HIS A 45 -12.320 -4.235 -0.662 1.00 0.00 C ATOM 645 C HIS A 45 -12.728 -4.060 -2.121 1.00 0.00 C ATOM 646 O HIS A 45 -12.369 -3.071 -2.761 1.00 0.00 O ATOM 647 CB HIS A 45 -10.872 -3.785 -0.466 1.00 0.00 C ATOM 648 CG HIS A 45 -10.499 -3.574 0.969 1.00 0.00 C ATOM 649 ND1 HIS A 45 -10.963 -2.515 1.719 1.00 0.00 N ATOM 650 CD2 HIS A 45 -9.702 -4.296 1.791 1.00 0.00 C ATOM 651 CE1 HIS A 45 -10.466 -2.592 2.941 1.00 0.00 C ATOM 652 NE2 HIS A 45 -9.698 -3.665 3.011 1.00 0.00 N ATOM 0 H HIS A 45 -11.894 -6.287 -0.745 1.00 0.00 H new ATOM 0 HA HIS A 45 -12.971 -3.615 -0.045 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -10.206 -4.531 -0.900 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -10.711 -2.857 -1.015 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -9.169 -5.200 1.535 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -10.655 -1.897 3.745 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -9.185 -3.974 3.837 1.00 0.00 H new ATOM 660 N ARG A 46 -13.478 -5.025 -2.642 1.00 0.00 N ATOM 661 CA ARG A 46 -13.932 -4.978 -4.026 1.00 0.00 C ATOM 662 C ARG A 46 -14.923 -3.837 -4.235 1.00 0.00 C ATOM 663 O ARG A 46 -15.765 -3.568 -3.379 1.00 0.00 O ATOM 664 CB ARG A 46 -14.579 -6.308 -4.419 1.00 0.00 C ATOM 665 CG ARG A 46 -15.982 -6.490 -3.862 1.00 0.00 C ATOM 666 CD ARG A 46 -16.753 -7.552 -4.631 1.00 0.00 C ATOM 667 NE ARG A 46 -18.074 -7.793 -4.057 1.00 0.00 N ATOM 668 CZ ARG A 46 -19.167 -7.134 -4.426 1.00 0.00 C ATOM 669 NH1 ARG A 46 -19.097 -6.200 -5.364 1.00 0.00 N ATOM 670 NH2 ARG A 46 -20.333 -7.410 -3.856 1.00 0.00 N ATOM 0 H ARG A 46 -13.784 -5.850 -2.126 1.00 0.00 H new ATOM 0 HA ARG A 46 -13.063 -4.803 -4.661 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -14.617 -6.377 -5.506 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.949 -7.126 -4.070 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -15.924 -6.771 -2.810 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -16.519 -5.543 -3.909 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -16.861 -7.241 -5.670 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -16.184 -8.482 -4.634 1.00 0.00 H new ATOM 0 HE ARG A 46 -18.162 -8.506 -3.333 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -18.202 -5.986 -5.805 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -19.938 -5.696 -5.645 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -20.390 -8.128 -3.134 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -21.172 -6.904 -4.140 1.00 0.00 H new ATOM 684 N GLY A 47 -14.816 -3.168 -5.379 1.00 0.00 N ATOM 685 CA GLY A 47 -15.708 -2.063 -5.679 1.00 0.00 C ATOM 686 C GLY A 47 -15.272 -0.771 -5.018 1.00 0.00 C ATOM 687 O GLY A 47 -15.583 0.318 -5.501 1.00 0.00 O ATOM 0 H GLY A 47 -14.127 -3.372 -6.103 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -15.752 -1.918 -6.758 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -16.716 -2.314 -5.349 1.00 0.00 H new ATOM 691 N HIS A 48 -14.552 -0.890 -3.907 1.00 0.00 N ATOM 692 CA HIS A 48 -14.074 0.279 -3.177 1.00 0.00 C ATOM 693 C HIS A 48 -13.110 1.097 -4.031 1.00 0.00 C ATOM 694 O HIS A 48 -12.251 0.543 -4.718 1.00 0.00 O ATOM 695 CB HIS A 48 -13.387 -0.149 -1.880 1.00 0.00 C ATOM 696 CG HIS A 48 -14.222 -1.058 -1.032 1.00 0.00 C ATOM 697 ND1 HIS A 48 -13.814 -1.523 0.201 1.00 0.00 N ATOM 698 CD2 HIS A 48 -15.450 -1.587 -1.244 1.00 0.00 C ATOM 699 CE1 HIS A 48 -14.754 -2.299 0.709 1.00 0.00 C ATOM 700 NE2 HIS A 48 -15.757 -2.355 -0.148 1.00 0.00 N ATOM 0 H HIS A 48 -14.287 -1.784 -3.493 1.00 0.00 H new ATOM 0 HA HIS A 48 -14.935 0.902 -2.935 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -12.450 -0.651 -2.123 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -13.132 0.740 -1.303 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -16.072 -1.434 -2.113 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -14.710 -2.802 1.663 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -16.620 -2.883 -0.017 1.00 0.00 H new ATOM 708 N HIS A 49 -13.260 2.417 -3.985 1.00 0.00 N ATOM 709 CA HIS A 49 -12.402 3.311 -4.755 1.00 0.00 C ATOM 710 C HIS A 49 -11.126 3.637 -3.985 1.00 0.00 C ATOM 711 O HIS A 49 -11.175 4.040 -2.822 1.00 0.00 O ATOM 712 CB HIS A 49 -13.150 4.601 -5.095 1.00 0.00 C ATOM 713 CG HIS A 49 -14.173 4.432 -6.176 1.00 0.00 C ATOM 714 ND1 HIS A 49 -15.518 4.274 -5.921 1.00 0.00 N ATOM 715 CD2 HIS A 49 -14.040 4.401 -7.523 1.00 0.00 C ATOM 716 CE1 HIS A 49 -16.169 4.150 -7.064 1.00 0.00 C ATOM 717 NE2 HIS A 49 -15.295 4.224 -8.052 1.00 0.00 N ATOM 0 H HIS A 49 -13.967 2.891 -3.423 1.00 0.00 H new ATOM 0 HA HIS A 49 -12.127 2.804 -5.680 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -13.641 4.974 -4.196 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -12.430 5.359 -5.403 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -13.119 4.497 -8.078 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -17.235 4.012 -7.172 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -15.516 4.160 -9.046 1.00 0.00 H new ATOM 726 N THR A 50 -9.983 3.458 -4.640 1.00 0.00 N ATOM 727 CA THR A 50 -8.694 3.731 -4.017 1.00 0.00 C ATOM 728 C THR A 50 -7.873 4.703 -4.856 1.00 0.00 C ATOM 729 O THR A 50 -8.087 4.833 -6.061 1.00 0.00 O ATOM 730 CB THR A 50 -7.885 2.437 -3.811 1.00 0.00 C ATOM 731 OG1 THR A 50 -7.457 1.920 -5.076 1.00 0.00 O ATOM 732 CG2 THR A 50 -8.714 1.389 -3.084 1.00 0.00 C ATOM 0 H THR A 50 -9.924 3.125 -5.602 1.00 0.00 H new ATOM 0 HA THR A 50 -8.901 4.180 -3.045 1.00 0.00 H new ATOM 0 HB THR A 50 -7.013 2.674 -3.201 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.490 0.941 -5.057 1.00 0.00 H new ATOM 0 HG21 THR A 50 -8.121 0.484 -2.950 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.013 1.774 -2.109 1.00 0.00 H new ATOM 0 HG23 THR A 50 -9.603 1.157 -3.671 1.00 0.00 H new ATOM 740 N PHE A 51 -6.931 5.384 -4.211 1.00 0.00 N ATOM 741 CA PHE A 51 -6.077 6.345 -4.899 1.00 0.00 C ATOM 742 C PHE A 51 -4.603 6.006 -4.696 1.00 0.00 C ATOM 743 O PHE A 51 -4.195 5.497 -3.651 1.00 0.00 O ATOM 744 CB PHE A 51 -6.359 7.762 -4.396 1.00 0.00 C ATOM 745 CG PHE A 51 -7.717 8.275 -4.781 1.00 0.00 C ATOM 746 CD1 PHE A 51 -8.845 7.889 -4.073 1.00 0.00 C ATOM 747 CD2 PHE A 51 -7.867 9.143 -5.850 1.00 0.00 C ATOM 748 CE1 PHE A 51 -10.096 8.360 -4.425 1.00 0.00 C ATOM 749 CE2 PHE A 51 -9.115 9.617 -6.206 1.00 0.00 C ATOM 750 CZ PHE A 51 -10.231 9.224 -5.493 1.00 0.00 C ATOM 0 H PHE A 51 -6.740 5.288 -3.214 1.00 0.00 H new ATOM 0 HA PHE A 51 -6.301 6.294 -5.965 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -6.268 7.778 -3.310 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.599 8.437 -4.790 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -8.745 7.213 -3.237 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -6.998 9.453 -6.412 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -10.967 8.052 -3.865 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -9.218 10.294 -7.041 1.00 0.00 H new ATOM 0 HZ PHE A 51 -11.208 9.592 -5.771 1.00 0.00 H new ATOM 760 N PRO A 52 -3.784 6.293 -5.718 1.00 0.00 N ATOM 761 CA PRO A 52 -2.343 6.027 -5.677 1.00 0.00 C ATOM 762 C PRO A 52 -1.611 6.946 -4.704 1.00 0.00 C ATOM 763 O PRO A 52 -1.174 8.037 -5.073 1.00 0.00 O ATOM 764 CB PRO A 52 -1.890 6.300 -7.114 1.00 0.00 C ATOM 765 CG PRO A 52 -2.897 7.257 -7.653 1.00 0.00 C ATOM 766 CD PRO A 52 -4.201 6.900 -6.993 1.00 0.00 C ATOM 0 HA PRO A 52 -2.125 5.016 -5.332 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.887 6.725 -7.139 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.862 5.382 -7.701 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.616 8.286 -7.430 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.973 7.175 -8.737 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.825 7.780 -6.834 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -4.780 6.204 -7.599 1.00 0.00 H new ATOM 774 N THR A 53 -1.481 6.499 -3.459 1.00 0.00 N ATOM 775 CA THR A 53 -0.803 7.282 -2.433 1.00 0.00 C ATOM 776 C THR A 53 0.451 7.946 -2.988 1.00 0.00 C ATOM 777 O THR A 53 0.597 9.167 -2.928 1.00 0.00 O ATOM 778 CB THR A 53 -0.416 6.408 -1.225 1.00 0.00 C ATOM 779 OG1 THR A 53 0.849 5.779 -1.461 1.00 0.00 O ATOM 780 CG2 THR A 53 -1.475 5.348 -0.962 1.00 0.00 C ATOM 0 H THR A 53 -1.836 5.599 -3.137 1.00 0.00 H new ATOM 0 HA THR A 53 -1.503 8.051 -2.107 1.00 0.00 H new ATOM 0 HB THR A 53 -0.343 7.051 -0.348 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.089 5.227 -0.688 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.180 4.743 -0.105 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.430 5.831 -0.754 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.576 4.709 -1.839 1.00 0.00 H new ATOM 788 N SER A 54 1.355 7.136 -3.530 1.00 0.00 N ATOM 789 CA SER A 54 2.599 7.646 -4.093 1.00 0.00 C ATOM 790 C SER A 54 2.674 7.362 -5.591 1.00 0.00 C ATOM 791 O SER A 54 3.476 7.959 -6.307 1.00 0.00 O ATOM 792 CB SER A 54 3.801 7.018 -3.383 1.00 0.00 C ATOM 793 OG SER A 54 4.919 7.888 -3.407 1.00 0.00 O ATOM 0 H SER A 54 1.249 6.123 -3.591 1.00 0.00 H new ATOM 0 HA SER A 54 2.621 8.725 -3.943 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.538 6.787 -2.351 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.060 6.075 -3.864 1.00 0.00 H new ATOM 0 HG SER A 54 5.673 7.465 -2.946 1.00 0.00 H new ATOM 799 N GLY A 55 1.831 6.445 -6.056 1.00 0.00 N ATOM 800 CA GLY A 55 1.817 6.097 -7.465 1.00 0.00 C ATOM 801 C GLY A 55 2.090 7.290 -8.359 1.00 0.00 C ATOM 802 O GLY A 55 1.821 8.437 -8.000 1.00 0.00 O ATOM 0 H GLY A 55 1.158 5.937 -5.482 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.565 5.327 -7.653 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.848 5.669 -7.721 1.00 0.00 H new ATOM 806 N PRO A 56 2.638 7.026 -9.554 1.00 0.00 N ATOM 807 CA PRO A 56 2.960 8.074 -10.527 1.00 0.00 C ATOM 808 C PRO A 56 1.712 8.708 -11.131 1.00 0.00 C ATOM 809 O PRO A 56 1.792 9.447 -12.112 1.00 0.00 O ATOM 810 CB PRO A 56 3.755 7.328 -11.602 1.00 0.00 C ATOM 811 CG PRO A 56 3.294 5.915 -11.502 1.00 0.00 C ATOM 812 CD PRO A 56 2.985 5.682 -10.048 1.00 0.00 C ATOM 0 HA PRO A 56 3.505 8.900 -10.071 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.562 7.738 -12.593 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.828 7.408 -11.428 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.412 5.748 -12.120 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.064 5.228 -11.852 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.160 4.981 -9.920 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.841 5.267 -9.516 1.00 0.00 H new ATOM 820 N SER A 57 0.559 8.415 -10.538 1.00 0.00 N ATOM 821 CA SER A 57 -0.707 8.954 -11.020 1.00 0.00 C ATOM 822 C SER A 57 -1.046 8.396 -12.399 1.00 0.00 C ATOM 823 O SER A 57 -1.489 9.127 -13.285 1.00 0.00 O ATOM 824 CB SER A 57 -0.647 10.482 -11.076 1.00 0.00 C ATOM 825 OG SER A 57 -0.260 11.023 -9.825 1.00 0.00 O ATOM 0 H SER A 57 0.476 7.807 -9.723 1.00 0.00 H new ATOM 0 HA SER A 57 -1.490 8.653 -10.324 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.060 10.793 -11.845 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.622 10.877 -11.361 1.00 0.00 H new ATOM 0 HG SER A 57 -0.227 12.000 -9.887 1.00 0.00 H new ATOM 831 N SER A 58 -0.833 7.095 -12.572 1.00 0.00 N ATOM 832 CA SER A 58 -1.112 6.438 -13.844 1.00 0.00 C ATOM 833 C SER A 58 -0.273 7.046 -14.964 1.00 0.00 C ATOM 834 O SER A 58 -0.749 7.225 -16.084 1.00 0.00 O ATOM 835 CB SER A 58 -2.599 6.552 -14.186 1.00 0.00 C ATOM 836 OG SER A 58 -3.384 5.747 -13.323 1.00 0.00 O ATOM 0 H SER A 58 -0.469 6.476 -11.848 1.00 0.00 H new ATOM 0 HA SER A 58 -0.849 5.385 -13.746 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.915 7.592 -14.106 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.762 6.248 -15.220 1.00 0.00 H new ATOM 0 HG SER A 58 -4.330 5.839 -13.561 1.00 0.00 H new ATOM 842 N GLY A 59 0.981 7.360 -14.653 1.00 0.00 N ATOM 843 CA GLY A 59 1.867 7.944 -15.642 1.00 0.00 C ATOM 844 C GLY A 59 2.517 6.898 -16.527 1.00 0.00 C ATOM 845 O GLY A 59 1.803 6.140 -17.181 1.00 0.00 O ATOM 0 H GLY A 59 1.399 7.220 -13.733 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.305 8.642 -16.262 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.642 8.520 -15.136 1.00 0.00 H new TER 849 GLY A 59 HETATM 850 ZN ZN A 201 -3.439 -7.173 1.154 1.00 0.00 ZN HETATM 851 ZN ZN A 401 -12.168 -0.879 1.262 1.00 0.00 ZN