USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 683 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 ASN : amide:sc= -0.0328 X(o=-0.68,f=-0.59) USER MOD Set 1.2: A 83 GLN : amide:sc= -0.648 K(o=-0.68,f=-5.5!) USER MOD Single : A 12 LYS NZ :NH3+ 163:sc= -0.0314 (180deg=-0.255) USER MOD Single : A 17 LYS NZ :NH3+ 160:sc= -0.105 (180deg=-0.435) USER MOD Single : A 20 HIS : no HD1:sc= -1.96 K(o=-2,f=-2.8) USER MOD Single : A 26 SER OG : rot 180:sc= -0.0358 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.0582 X(o=-0.058,f=-0.26) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 46 GLN : amide:sc= -0.235 X(o=-0.23,f=0.18) USER MOD Single : A 51 CYS SG : rot 127:sc= 0.0957 USER MOD Single : A 55 HIS : no HD1:sc= -4.26 X(o=-4.3,f=-4.6) USER MOD Single : A 67 ASN : amide:sc= 0.257 K(o=0.26,f=-1.9!) USER MOD Single : A 71 THR OG1 : rot -160:sc= -1.4 USER MOD Single : A 72 LYS NZ :NH3+ 170:sc= 0.137 (180deg=-0.0552) USER MOD Single : A 73 HIS : no HD1:sc= -0.542 X(o=-0.54,f=-0.06) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0776 USER MOD Single : A 81 SER OG : rot 180:sc= 0.015 USER MOD Single : A 82 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.06) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 9 -17.008 -1.706 2.971 1.00 0.00 N ATOM 2 CA PRO A 9 -16.770 -1.668 1.499 1.00 0.00 C ATOM 3 C PRO A 9 -15.277 -1.643 1.162 1.00 0.00 C ATOM 4 O PRO A 9 -14.541 -0.774 1.633 1.00 0.00 O ATOM 5 CB PRO A 9 -17.458 -0.418 0.956 1.00 0.00 C ATOM 6 CG PRO A 9 -17.842 0.344 2.177 1.00 0.00 C ATOM 7 CD PRO A 9 -18.024 -0.680 3.270 1.00 0.00 C ATOM 0 HA PRO A 9 -17.177 -2.570 1.041 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -16.789 0.160 0.319 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -18.330 -0.673 0.354 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -17.071 1.066 2.444 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -18.761 0.906 2.013 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -17.871 -0.242 4.256 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -19.030 -1.100 3.260 1.00 0.00 H new ATOM 17 N ILE A 10 -14.842 -2.602 0.346 1.00 0.00 N ATOM 18 CA ILE A 10 -13.440 -2.693 -0.056 1.00 0.00 C ATOM 19 C ILE A 10 -13.247 -2.214 -1.494 1.00 0.00 C ATOM 20 O ILE A 10 -14.074 -2.485 -2.366 1.00 0.00 O ATOM 21 CB ILE A 10 -12.906 -4.137 0.073 1.00 0.00 C ATOM 22 CG1 ILE A 10 -13.061 -4.639 1.510 1.00 0.00 C ATOM 23 CG2 ILE A 10 -11.447 -4.211 -0.360 1.00 0.00 C ATOM 24 CD1 ILE A 10 -12.895 -6.138 1.648 1.00 0.00 C ATOM 0 H ILE A 10 -15.441 -3.327 -0.050 1.00 0.00 H new ATOM 0 HA ILE A 10 -12.877 -2.047 0.617 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.493 -4.779 -0.584 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -12.326 -4.140 2.142 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -14.046 -4.355 1.881 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -11.090 -5.236 -0.262 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -11.359 -3.894 -1.399 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -10.847 -3.556 0.271 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -13.018 -6.423 2.693 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -13.647 -6.645 1.043 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -11.901 -6.427 1.308 1.00 0.00 H new ATOM 36 N ARG A 11 -12.146 -1.502 -1.729 1.00 0.00 N ATOM 37 CA ARG A 11 -11.832 -0.984 -3.059 1.00 0.00 C ATOM 38 C ARG A 11 -10.454 -1.456 -3.521 1.00 0.00 C ATOM 39 O ARG A 11 -9.536 -1.610 -2.712 1.00 0.00 O ATOM 40 CB ARG A 11 -11.893 0.546 -3.063 1.00 0.00 C ATOM 41 CG ARG A 11 -13.020 1.105 -3.917 1.00 0.00 C ATOM 42 CD ARG A 11 -14.258 1.396 -3.083 1.00 0.00 C ATOM 43 NE ARG A 11 -14.228 2.738 -2.499 1.00 0.00 N ATOM 44 CZ ARG A 11 -15.033 3.140 -1.513 1.00 0.00 C ATOM 45 NH1 ARG A 11 -15.935 2.310 -0.996 1.00 0.00 N ATOM 46 NH2 ARG A 11 -14.936 4.377 -1.040 1.00 0.00 N ATOM 0 H ARG A 11 -11.456 -1.271 -1.014 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.576 -1.370 -3.755 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.014 0.900 -2.039 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.943 0.939 -3.426 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.687 2.020 -4.408 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -13.269 0.393 -4.704 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -15.146 1.292 -3.706 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -14.339 0.657 -2.286 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.551 3.406 -2.868 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -16.016 1.358 -1.353 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -16.546 2.626 -0.243 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.247 5.020 -1.430 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.551 4.685 -0.287 1.00 0.00 H new ATOM 60 N LYS A 12 -10.317 -1.683 -4.828 1.00 0.00 N ATOM 61 CA LYS A 12 -9.053 -2.137 -5.406 1.00 0.00 C ATOM 62 C LYS A 12 -8.482 -1.081 -6.352 1.00 0.00 C ATOM 63 O LYS A 12 -9.063 -0.799 -7.402 1.00 0.00 O ATOM 64 CB LYS A 12 -9.256 -3.459 -6.156 1.00 0.00 C ATOM 65 CG LYS A 12 -9.246 -4.686 -5.254 1.00 0.00 C ATOM 66 CD LYS A 12 -10.593 -4.898 -4.575 1.00 0.00 C ATOM 67 CE LYS A 12 -11.613 -5.513 -5.524 1.00 0.00 C ATOM 68 NZ LYS A 12 -11.277 -6.922 -5.874 1.00 0.00 N ATOM 0 H LYS A 12 -11.068 -1.559 -5.507 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.343 -2.296 -4.594 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.205 -3.420 -6.691 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.472 -3.565 -6.906 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.992 -5.568 -5.842 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.470 -4.574 -4.496 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.465 -5.547 -3.708 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.969 -3.944 -4.206 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.601 -5.480 -5.064 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.665 -4.917 -6.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.116 -7.390 -6.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.509 -6.932 -6.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.971 -7.429 -5.019 1.00 0.00 H new ATOM 82 N VAL A 13 -7.346 -0.496 -5.970 1.00 0.00 N ATOM 83 CA VAL A 13 -6.699 0.536 -6.781 1.00 0.00 C ATOM 84 C VAL A 13 -5.356 0.051 -7.332 1.00 0.00 C ATOM 85 O VAL A 13 -4.607 -0.647 -6.645 1.00 0.00 O ATOM 86 CB VAL A 13 -6.472 1.831 -5.968 1.00 0.00 C ATOM 87 CG1 VAL A 13 -5.991 2.960 -6.870 1.00 0.00 C ATOM 88 CG2 VAL A 13 -7.742 2.236 -5.233 1.00 0.00 C ATOM 0 H VAL A 13 -6.855 -0.719 -5.104 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.371 0.749 -7.612 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.697 1.633 -5.228 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.838 3.861 -6.275 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.051 2.673 -7.342 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.739 3.155 -7.639 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.559 3.150 -4.667 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.540 2.409 -5.955 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.037 1.439 -4.550 1.00 0.00 H new ATOM 98 N LEU A 14 -5.060 0.432 -8.577 1.00 0.00 N ATOM 99 CA LEU A 14 -3.809 0.046 -9.229 1.00 0.00 C ATOM 100 C LEU A 14 -2.844 1.230 -9.302 1.00 0.00 C ATOM 101 O LEU A 14 -3.203 2.307 -9.783 1.00 0.00 O ATOM 102 CB LEU A 14 -4.089 -0.491 -10.637 1.00 0.00 C ATOM 103 CG LEU A 14 -2.879 -1.089 -11.363 1.00 0.00 C ATOM 104 CD1 LEU A 14 -2.526 -2.453 -10.788 1.00 0.00 C ATOM 105 CD2 LEU A 14 -3.150 -1.192 -12.858 1.00 0.00 C ATOM 0 H LEU A 14 -5.672 1.009 -9.154 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.344 -0.740 -8.634 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.865 -1.254 -10.569 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.492 0.320 -11.244 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.028 -0.425 -11.212 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.664 -2.859 -11.318 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.286 -2.351 -9.730 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.374 -3.127 -10.904 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.280 -1.619 -13.357 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.016 -1.832 -13.028 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.349 -0.199 -13.261 1.00 0.00 H new ATOM 117 N LEU A 15 -1.616 1.020 -8.825 1.00 0.00 N ATOM 118 CA LEU A 15 -0.592 2.062 -8.834 1.00 0.00 C ATOM 119 C LEU A 15 0.546 1.699 -9.784 1.00 0.00 C ATOM 120 O LEU A 15 1.144 0.628 -9.670 1.00 0.00 O ATOM 121 CB LEU A 15 -0.043 2.279 -7.420 1.00 0.00 C ATOM 122 CG LEU A 15 0.886 3.487 -7.262 1.00 0.00 C ATOM 123 CD1 LEU A 15 0.164 4.632 -6.565 1.00 0.00 C ATOM 124 CD2 LEU A 15 2.143 3.099 -6.495 1.00 0.00 C ATOM 0 H LEU A 15 -1.307 0.133 -8.426 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.052 2.986 -9.184 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.883 2.394 -6.735 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.497 1.383 -7.115 1.00 0.00 H new ATOM 0 HG LEU A 15 1.181 3.824 -8.256 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.841 5.480 -6.462 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.703 4.929 -7.156 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.164 4.308 -5.577 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.790 3.970 -6.393 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.867 2.734 -5.506 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.672 2.315 -7.037 1.00 0.00 H new ATOM 136 N LEU A 16 0.844 2.601 -10.717 1.00 0.00 N ATOM 137 CA LEU A 16 1.914 2.380 -11.684 1.00 0.00 C ATOM 138 C LEU A 16 3.108 3.283 -11.383 1.00 0.00 C ATOM 139 O LEU A 16 3.009 4.507 -11.481 1.00 0.00 O ATOM 140 CB LEU A 16 1.405 2.634 -13.106 1.00 0.00 C ATOM 141 CG LEU A 16 0.783 1.417 -13.798 1.00 0.00 C ATOM 142 CD1 LEU A 16 -0.646 1.201 -13.323 1.00 0.00 C ATOM 143 CD2 LEU A 16 0.827 1.581 -15.311 1.00 0.00 C ATOM 0 H LEU A 16 0.359 3.492 -10.823 1.00 0.00 H new ATOM 0 HA LEU A 16 2.238 1.342 -11.606 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.664 3.433 -13.073 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.235 2.994 -13.714 1.00 0.00 H new ATOM 0 HG LEU A 16 1.367 0.536 -13.532 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.069 0.332 -13.827 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.650 1.034 -12.246 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.244 2.082 -13.556 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.381 0.707 -15.785 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.269 2.473 -15.597 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.863 1.681 -15.636 1.00 0.00 H new ATOM 155 N LYS A 17 4.234 2.671 -11.014 1.00 0.00 N ATOM 156 CA LYS A 17 5.448 3.422 -10.695 1.00 0.00 C ATOM 157 C LYS A 17 6.636 2.928 -11.519 1.00 0.00 C ATOM 158 O LYS A 17 6.854 1.722 -11.656 1.00 0.00 O ATOM 159 CB LYS A 17 5.767 3.326 -9.197 1.00 0.00 C ATOM 160 CG LYS A 17 5.982 1.902 -8.699 1.00 0.00 C ATOM 161 CD LYS A 17 7.336 1.746 -8.021 1.00 0.00 C ATOM 162 CE LYS A 17 7.669 0.284 -7.753 1.00 0.00 C ATOM 163 NZ LYS A 17 7.707 -0.522 -9.008 1.00 0.00 N ATOM 0 H LYS A 17 4.330 1.659 -10.929 1.00 0.00 H new ATOM 0 HA LYS A 17 5.267 4.466 -10.949 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.662 3.912 -8.988 1.00 0.00 H new ATOM 0 HB3 LYS A 17 4.951 3.778 -8.633 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.190 1.637 -7.998 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.911 1.208 -9.537 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.110 2.186 -8.650 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.337 2.297 -7.081 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.634 0.219 -7.251 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.928 -0.138 -7.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.250 -1.394 -8.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.737 -0.767 -9.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.160 0.032 -9.763 1.00 0.00 H new ATOM 177 N GLU A 18 7.401 3.874 -12.064 1.00 0.00 N ATOM 178 CA GLU A 18 8.572 3.552 -12.877 1.00 0.00 C ATOM 179 C GLU A 18 9.780 3.237 -11.998 1.00 0.00 C ATOM 180 O GLU A 18 9.739 3.425 -10.781 1.00 0.00 O ATOM 181 CB GLU A 18 8.907 4.716 -13.815 1.00 0.00 C ATOM 182 CG GLU A 18 7.802 5.044 -14.809 1.00 0.00 C ATOM 183 CD GLU A 18 8.319 5.293 -16.214 1.00 0.00 C ATOM 184 OE1 GLU A 18 9.341 5.996 -16.359 1.00 0.00 O ATOM 185 OE2 GLU A 18 7.697 4.789 -17.173 1.00 0.00 O ATOM 0 H GLU A 18 7.229 4.874 -11.956 1.00 0.00 H new ATOM 0 HA GLU A 18 8.334 2.669 -13.470 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.119 5.602 -13.217 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.817 4.477 -14.364 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.087 4.222 -14.832 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.263 5.927 -14.465 1.00 0.00 H new ATOM 192 N ASP A 19 10.856 2.761 -12.623 1.00 0.00 N ATOM 193 CA ASP A 19 12.079 2.423 -11.898 1.00 0.00 C ATOM 194 C ASP A 19 12.612 3.630 -11.125 1.00 0.00 C ATOM 195 O ASP A 19 13.096 3.490 -10.001 1.00 0.00 O ATOM 196 CB ASP A 19 13.151 1.908 -12.860 1.00 0.00 C ATOM 197 CG ASP A 19 13.900 0.718 -12.294 1.00 0.00 C ATOM 198 OD1 ASP A 19 13.362 -0.408 -12.361 1.00 0.00 O ATOM 199 OD2 ASP A 19 15.022 0.912 -11.781 1.00 0.00 O ATOM 0 H ASP A 19 10.905 2.601 -13.629 1.00 0.00 H new ATOM 0 HA ASP A 19 11.834 1.636 -11.185 1.00 0.00 H new ATOM 0 HB2 ASP A 19 12.685 1.627 -13.805 1.00 0.00 H new ATOM 0 HB3 ASP A 19 13.857 2.709 -13.079 1.00 0.00 H new ATOM 204 N HIS A 20 12.516 4.813 -11.734 1.00 0.00 N ATOM 205 CA HIS A 20 12.984 6.043 -11.099 1.00 0.00 C ATOM 206 C HIS A 20 12.012 6.509 -10.008 1.00 0.00 C ATOM 207 O HIS A 20 12.426 7.130 -9.028 1.00 0.00 O ATOM 208 CB HIS A 20 13.184 7.150 -12.146 1.00 0.00 C ATOM 209 CG HIS A 20 11.931 7.552 -12.868 1.00 0.00 C ATOM 210 ND1 HIS A 20 11.192 8.669 -12.535 1.00 0.00 N ATOM 211 CD2 HIS A 20 11.295 6.984 -13.920 1.00 0.00 C ATOM 212 CE1 HIS A 20 10.156 8.768 -13.349 1.00 0.00 C ATOM 213 NE2 HIS A 20 10.196 7.758 -14.199 1.00 0.00 N ATOM 0 H HIS A 20 12.119 4.944 -12.664 1.00 0.00 H new ATOM 0 HA HIS A 20 13.944 5.831 -10.628 1.00 0.00 H new ATOM 0 HB2 HIS A 20 13.603 8.028 -11.654 1.00 0.00 H new ATOM 0 HB3 HIS A 20 13.919 6.813 -12.878 1.00 0.00 H new ATOM 0 HD2 HIS A 20 11.596 6.088 -14.443 1.00 0.00 H new ATOM 0 HE1 HIS A 20 9.404 9.543 -13.324 1.00 0.00 H new ATOM 0 HE2 HIS A 20 9.520 7.582 -14.942 1.00 0.00 H new ATOM 222 N GLU A 21 10.722 6.206 -10.185 1.00 0.00 N ATOM 223 CA GLU A 21 9.694 6.593 -9.217 1.00 0.00 C ATOM 224 C GLU A 21 9.714 5.683 -7.989 1.00 0.00 C ATOM 225 O GLU A 21 10.336 4.618 -8.000 1.00 0.00 O ATOM 226 CB GLU A 21 8.306 6.550 -9.866 1.00 0.00 C ATOM 227 CG GLU A 21 8.139 7.528 -11.020 1.00 0.00 C ATOM 228 CD GLU A 21 7.081 8.583 -10.754 1.00 0.00 C ATOM 229 OE1 GLU A 21 7.145 9.237 -9.691 1.00 0.00 O ATOM 230 OE2 GLU A 21 6.188 8.757 -11.610 1.00 0.00 O ATOM 0 H GLU A 21 10.366 5.693 -10.991 1.00 0.00 H new ATOM 0 HA GLU A 21 9.912 7.611 -8.895 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.115 5.540 -10.227 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.553 6.765 -9.108 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.093 8.019 -11.214 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.875 6.976 -11.922 1.00 0.00 H new ATOM 237 N GLY A 22 9.024 6.113 -6.930 1.00 0.00 N ATOM 238 CA GLY A 22 8.968 5.334 -5.704 1.00 0.00 C ATOM 239 C GLY A 22 7.579 4.790 -5.412 1.00 0.00 C ATOM 240 O GLY A 22 6.785 4.570 -6.330 1.00 0.00 O ATOM 0 H GLY A 22 8.503 6.989 -6.902 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.671 4.504 -5.775 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.292 5.956 -4.869 1.00 0.00 H new ATOM 244 N LEU A 23 7.287 4.572 -4.127 1.00 0.00 N ATOM 245 CA LEU A 23 5.984 4.046 -3.705 1.00 0.00 C ATOM 246 C LEU A 23 4.865 5.060 -3.950 1.00 0.00 C ATOM 247 O LEU A 23 3.772 4.693 -4.383 1.00 0.00 O ATOM 248 CB LEU A 23 6.015 3.659 -2.220 1.00 0.00 C ATOM 249 CG LEU A 23 5.404 2.293 -1.889 1.00 0.00 C ATOM 250 CD1 LEU A 23 6.142 1.643 -0.727 1.00 0.00 C ATOM 251 CD2 LEU A 23 3.920 2.430 -1.569 1.00 0.00 C ATOM 0 H LEU A 23 7.935 4.751 -3.360 1.00 0.00 H new ATOM 0 HA LEU A 23 5.780 3.159 -4.304 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.051 3.668 -1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.486 4.423 -1.651 1.00 0.00 H new ATOM 0 HG LEU A 23 5.508 1.652 -2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.693 0.674 -0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.190 1.506 -0.993 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.072 2.283 0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.506 1.449 -1.337 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.792 3.090 -0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.399 2.849 -2.430 1.00 0.00 H new ATOM 263 N GLY A 24 5.139 6.333 -3.661 1.00 0.00 N ATOM 264 CA GLY A 24 4.140 7.373 -3.850 1.00 0.00 C ATOM 265 C GLY A 24 3.460 7.787 -2.553 1.00 0.00 C ATOM 266 O GLY A 24 2.902 8.882 -2.466 1.00 0.00 O ATOM 0 H GLY A 24 6.035 6.661 -3.300 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.613 8.246 -4.301 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.385 7.021 -4.553 1.00 0.00 H new ATOM 270 N ILE A 25 3.505 6.913 -1.542 1.00 0.00 N ATOM 271 CA ILE A 25 2.890 7.198 -0.247 1.00 0.00 C ATOM 272 C ILE A 25 3.688 6.570 0.897 1.00 0.00 C ATOM 273 O ILE A 25 4.612 5.788 0.667 1.00 0.00 O ATOM 274 CB ILE A 25 1.435 6.682 -0.180 1.00 0.00 C ATOM 275 CG1 ILE A 25 1.356 5.219 -0.631 1.00 0.00 C ATOM 276 CG2 ILE A 25 0.518 7.555 -1.023 1.00 0.00 C ATOM 277 CD1 ILE A 25 1.547 4.229 0.498 1.00 0.00 C ATOM 0 H ILE A 25 3.962 6.003 -1.598 1.00 0.00 H new ATOM 0 HA ILE A 25 2.889 8.282 -0.138 1.00 0.00 H new ATOM 0 HB ILE A 25 1.101 6.736 0.856 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.387 5.043 -1.098 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.115 5.040 -1.393 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.502 7.175 -0.963 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.547 8.579 -0.650 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.851 7.537 -2.061 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.479 3.214 0.107 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.527 4.378 0.951 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.773 4.381 1.250 1.00 0.00 H new ATOM 289 N SER A 26 3.315 6.916 2.130 1.00 0.00 N ATOM 290 CA SER A 26 3.981 6.389 3.319 1.00 0.00 C ATOM 291 C SER A 26 2.986 5.636 4.203 1.00 0.00 C ATOM 292 O SER A 26 1.850 6.077 4.390 1.00 0.00 O ATOM 293 CB SER A 26 4.630 7.529 4.105 1.00 0.00 C ATOM 294 OG SER A 26 5.352 8.399 3.246 1.00 0.00 O ATOM 0 H SER A 26 2.551 7.562 2.330 1.00 0.00 H new ATOM 0 HA SER A 26 4.756 5.691 3.003 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.862 8.092 4.635 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.302 7.118 4.859 1.00 0.00 H new ATOM 0 HG SER A 26 5.755 9.120 3.774 1.00 0.00 H new ATOM 300 N ILE A 27 3.418 4.492 4.738 1.00 0.00 N ATOM 301 CA ILE A 27 2.562 3.668 5.593 1.00 0.00 C ATOM 302 C ILE A 27 3.104 3.574 7.019 1.00 0.00 C ATOM 303 O ILE A 27 4.301 3.752 7.252 1.00 0.00 O ATOM 304 CB ILE A 27 2.403 2.242 5.022 1.00 0.00 C ATOM 305 CG1 ILE A 27 3.773 1.642 4.681 1.00 0.00 C ATOM 306 CG2 ILE A 27 1.503 2.258 3.793 1.00 0.00 C ATOM 307 CD1 ILE A 27 3.750 0.142 4.489 1.00 0.00 C ATOM 0 H ILE A 27 4.355 4.116 4.594 1.00 0.00 H new ATOM 0 HA ILE A 27 1.589 4.159 5.617 1.00 0.00 H new ATOM 0 HB ILE A 27 1.936 1.616 5.782 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.148 2.110 3.771 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.475 1.887 5.478 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.402 1.245 3.403 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.520 2.642 4.067 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.942 2.899 3.029 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.754 -0.210 4.251 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.406 -0.337 5.406 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.074 -0.110 3.672 1.00 0.00 H new ATOM 319 N THR A 28 2.210 3.292 7.970 1.00 0.00 N ATOM 320 CA THR A 28 2.592 3.175 9.377 1.00 0.00 C ATOM 321 C THR A 28 1.909 1.976 10.043 1.00 0.00 C ATOM 322 O THR A 28 0.927 1.441 9.524 1.00 0.00 O ATOM 323 CB THR A 28 2.240 4.465 10.130 1.00 0.00 C ATOM 324 OG1 THR A 28 0.843 4.556 10.355 1.00 0.00 O ATOM 325 CG2 THR A 28 2.664 5.722 9.398 1.00 0.00 C ATOM 0 H THR A 28 1.217 3.141 7.790 1.00 0.00 H new ATOM 0 HA THR A 28 3.670 3.016 9.419 1.00 0.00 H new ATOM 0 HB THR A 28 2.789 4.404 11.070 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.643 5.385 10.838 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.385 6.597 9.985 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.744 5.712 9.253 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.168 5.763 8.428 1.00 0.00 H new ATOM 333 N GLY A 29 2.435 1.566 11.202 1.00 0.00 N ATOM 334 CA GLY A 29 1.866 0.441 11.933 1.00 0.00 C ATOM 335 C GLY A 29 2.663 -0.841 11.758 1.00 0.00 C ATOM 336 O GLY A 29 3.833 -0.802 11.370 1.00 0.00 O ATOM 0 H GLY A 29 3.246 1.995 11.647 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.817 0.690 12.993 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.843 0.276 11.596 1.00 0.00 H new ATOM 340 N GLY A 30 2.028 -1.982 12.044 1.00 0.00 N ATOM 341 CA GLY A 30 2.705 -3.263 11.907 1.00 0.00 C ATOM 342 C GLY A 30 1.959 -4.407 12.574 1.00 0.00 C ATOM 343 O GLY A 30 1.545 -4.297 13.730 1.00 0.00 O ATOM 0 H GLY A 30 1.062 -2.040 12.366 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.832 -3.489 10.848 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.703 -3.188 12.339 1.00 0.00 H new ATOM 347 N LYS A 31 1.796 -5.511 11.839 1.00 0.00 N ATOM 348 CA LYS A 31 1.102 -6.696 12.353 1.00 0.00 C ATOM 349 C LYS A 31 1.748 -7.203 13.644 1.00 0.00 C ATOM 350 O LYS A 31 1.050 -7.648 14.557 1.00 0.00 O ATOM 351 CB LYS A 31 1.103 -7.811 11.302 1.00 0.00 C ATOM 352 CG LYS A 31 -0.159 -8.664 11.305 1.00 0.00 C ATOM 353 CD LYS A 31 -0.163 -9.663 12.456 1.00 0.00 C ATOM 354 CE LYS A 31 -0.825 -10.974 12.056 1.00 0.00 C ATOM 355 NZ LYS A 31 -0.800 -11.978 13.158 1.00 0.00 N ATOM 0 H LYS A 31 2.137 -5.609 10.883 1.00 0.00 H new ATOM 0 HA LYS A 31 0.074 -6.408 12.574 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.226 -7.366 10.315 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.966 -8.455 11.471 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.034 -8.019 11.381 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.239 -9.199 10.359 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.861 -9.854 12.776 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.689 -9.234 13.309 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.858 -10.783 11.764 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.318 -11.383 11.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.262 -12.854 12.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.186 -12.181 13.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.307 -11.600 13.984 1.00 0.00 H new ATOM 369 N GLU A 32 3.080 -7.131 13.715 1.00 0.00 N ATOM 370 CA GLU A 32 3.810 -7.581 14.902 1.00 0.00 C ATOM 371 C GLU A 32 3.424 -6.756 16.133 1.00 0.00 C ATOM 372 O GLU A 32 3.431 -7.264 17.255 1.00 0.00 O ATOM 373 CB GLU A 32 5.324 -7.500 14.669 1.00 0.00 C ATOM 374 CG GLU A 32 5.804 -6.147 14.157 1.00 0.00 C ATOM 375 CD GLU A 32 7.189 -5.789 14.661 1.00 0.00 C ATOM 376 OE1 GLU A 32 7.323 -5.478 15.864 1.00 0.00 O ATOM 377 OE2 GLU A 32 8.140 -5.818 13.852 1.00 0.00 O ATOM 0 H GLU A 32 3.672 -6.767 12.968 1.00 0.00 H new ATOM 0 HA GLU A 32 3.537 -8.620 15.085 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.837 -7.725 15.604 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.612 -8.270 13.954 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.810 -6.157 13.067 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.099 -5.375 14.465 1.00 0.00 H new ATOM 384 N HIS A 33 3.079 -5.486 15.913 1.00 0.00 N ATOM 385 CA HIS A 33 2.680 -4.594 17.001 1.00 0.00 C ATOM 386 C HIS A 33 1.236 -4.861 17.436 1.00 0.00 C ATOM 387 O HIS A 33 0.872 -4.599 18.583 1.00 0.00 O ATOM 388 CB HIS A 33 2.825 -3.129 16.576 1.00 0.00 C ATOM 389 CG HIS A 33 4.247 -2.664 16.457 1.00 0.00 C ATOM 390 ND1 HIS A 33 5.281 -3.181 17.212 1.00 0.00 N ATOM 391 CD2 HIS A 33 4.803 -1.712 15.668 1.00 0.00 C ATOM 392 CE1 HIS A 33 6.407 -2.566 16.895 1.00 0.00 C ATOM 393 NE2 HIS A 33 6.144 -1.672 15.960 1.00 0.00 N ATOM 0 H HIS A 33 3.068 -5.053 14.990 1.00 0.00 H new ATOM 0 HA HIS A 33 3.340 -4.791 17.846 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.327 -2.989 15.617 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.307 -2.499 17.299 1.00 0.00 H new ATOM 0 HD2 HIS A 33 4.287 -1.099 14.944 1.00 0.00 H new ATOM 0 HE1 HIS A 33 7.377 -2.762 17.327 1.00 0.00 H new ATOM 0 HE2 HIS A 33 6.827 -1.052 15.525 1.00 0.00 H new ATOM 402 N GLY A 34 0.420 -5.378 16.515 1.00 0.00 N ATOM 403 CA GLY A 34 -0.974 -5.664 16.822 1.00 0.00 C ATOM 404 C GLY A 34 -1.945 -4.741 16.099 1.00 0.00 C ATOM 405 O GLY A 34 -3.080 -4.564 16.543 1.00 0.00 O ATOM 0 H GLY A 34 0.701 -5.604 15.561 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.195 -6.697 16.553 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.129 -5.575 17.897 1.00 0.00 H new ATOM 409 N VAL A 35 -1.505 -4.155 14.984 1.00 0.00 N ATOM 410 CA VAL A 35 -2.351 -3.254 14.206 1.00 0.00 C ATOM 411 C VAL A 35 -1.990 -3.310 12.718 1.00 0.00 C ATOM 412 O VAL A 35 -0.810 -3.289 12.358 1.00 0.00 O ATOM 413 CB VAL A 35 -2.242 -1.797 14.714 1.00 0.00 C ATOM 414 CG1 VAL A 35 -0.814 -1.282 14.591 1.00 0.00 C ATOM 415 CG2 VAL A 35 -3.212 -0.889 13.968 1.00 0.00 C ATOM 0 H VAL A 35 -0.569 -4.289 14.602 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.380 -3.589 14.334 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.513 -1.788 15.770 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.765 -0.256 14.955 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.149 -1.910 15.184 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.505 -1.312 13.546 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.117 0.130 14.342 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.981 -0.907 12.903 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.232 -1.240 14.124 1.00 0.00 H new ATOM 425 N PRO A 36 -3.001 -3.386 11.829 1.00 0.00 N ATOM 426 CA PRO A 36 -2.772 -3.446 10.379 1.00 0.00 C ATOM 427 C PRO A 36 -2.045 -2.207 9.858 1.00 0.00 C ATOM 428 O PRO A 36 -2.086 -1.145 10.481 1.00 0.00 O ATOM 429 CB PRO A 36 -4.186 -3.529 9.786 1.00 0.00 C ATOM 430 CG PRO A 36 -5.051 -3.988 10.911 1.00 0.00 C ATOM 431 CD PRO A 36 -4.436 -3.426 12.159 1.00 0.00 C ATOM 0 HA PRO A 36 -2.137 -4.289 10.105 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.512 -2.560 9.407 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -4.223 -4.227 8.950 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.074 -3.634 10.786 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -5.093 -5.076 10.952 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -4.825 -2.434 12.390 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.634 -4.056 13.026 1.00 0.00 H new ATOM 439 N ILE A 37 -1.376 -2.351 8.714 1.00 0.00 N ATOM 440 CA ILE A 37 -0.637 -1.244 8.112 1.00 0.00 C ATOM 441 C ILE A 37 -1.569 -0.354 7.286 1.00 0.00 C ATOM 442 O ILE A 37 -2.360 -0.849 6.480 1.00 0.00 O ATOM 443 CB ILE A 37 0.522 -1.746 7.217 1.00 0.00 C ATOM 444 CG1 ILE A 37 1.343 -2.824 7.941 1.00 0.00 C ATOM 445 CG2 ILE A 37 1.416 -0.582 6.811 1.00 0.00 C ATOM 446 CD1 ILE A 37 0.922 -4.241 7.609 1.00 0.00 C ATOM 0 H ILE A 37 -1.331 -3.223 8.187 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.212 -0.663 8.931 1.00 0.00 H new ATOM 0 HB ILE A 37 0.094 -2.190 6.318 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.395 -2.698 7.685 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.256 -2.672 9.017 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.227 -0.948 6.182 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.830 0.151 6.257 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.832 -0.114 7.703 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.548 -4.945 8.158 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.121 -4.386 7.891 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.036 -4.413 6.539 1.00 0.00 H new ATOM 458 N LEU A 38 -1.477 0.961 7.502 1.00 0.00 N ATOM 459 CA LEU A 38 -2.319 1.922 6.788 1.00 0.00 C ATOM 460 C LEU A 38 -1.493 3.077 6.214 1.00 0.00 C ATOM 461 O LEU A 38 -0.370 3.331 6.656 1.00 0.00 O ATOM 462 CB LEU A 38 -3.396 2.483 7.724 1.00 0.00 C ATOM 463 CG LEU A 38 -4.252 1.436 8.444 1.00 0.00 C ATOM 464 CD1 LEU A 38 -3.668 1.123 9.812 1.00 0.00 C ATOM 465 CD2 LEU A 38 -5.689 1.921 8.577 1.00 0.00 C ATOM 0 H LEU A 38 -0.828 1.383 8.166 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.790 1.392 5.960 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.912 3.109 8.473 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.055 3.130 7.145 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.251 0.522 7.850 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.288 0.378 10.310 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.656 0.734 9.695 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.641 2.032 10.413 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.282 1.165 9.091 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.709 2.848 9.150 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.106 2.098 7.586 1.00 0.00 H new ATOM 477 N ILE A 39 -2.068 3.776 5.233 1.00 0.00 N ATOM 478 CA ILE A 39 -1.403 4.912 4.595 1.00 0.00 C ATOM 479 C ILE A 39 -1.802 6.226 5.266 1.00 0.00 C ATOM 480 O ILE A 39 -2.981 6.589 5.283 1.00 0.00 O ATOM 481 CB ILE A 39 -1.746 5.001 3.089 1.00 0.00 C ATOM 482 CG1 ILE A 39 -1.568 3.639 2.411 1.00 0.00 C ATOM 483 CG2 ILE A 39 -0.881 6.053 2.407 1.00 0.00 C ATOM 484 CD1 ILE A 39 -2.097 3.592 0.992 1.00 0.00 C ATOM 0 H ILE A 39 -2.997 3.573 4.863 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.331 4.751 4.707 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.791 5.296 2.993 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.509 3.382 2.403 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.076 2.878 3.004 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.135 6.102 1.348 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.058 7.024 2.869 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.170 5.786 2.516 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.936 2.597 0.577 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.164 3.817 0.994 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.572 4.328 0.383 1.00 0.00 H new ATOM 496 N SER A 40 -0.812 6.934 5.811 1.00 0.00 N ATOM 497 CA SER A 40 -1.052 8.211 6.482 1.00 0.00 C ATOM 498 C SER A 40 -0.460 9.377 5.685 1.00 0.00 C ATOM 499 O SER A 40 -1.080 10.435 5.571 1.00 0.00 O ATOM 500 CB SER A 40 -0.460 8.188 7.892 1.00 0.00 C ATOM 501 OG SER A 40 -1.267 8.920 8.799 1.00 0.00 O ATOM 0 H SER A 40 0.166 6.643 5.800 1.00 0.00 H new ATOM 0 HA SER A 40 -2.130 8.357 6.548 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.368 7.157 8.234 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.545 8.609 7.874 1.00 0.00 H new ATOM 0 HG SER A 40 -0.867 8.887 9.693 1.00 0.00 H new ATOM 507 N GLU A 41 0.743 9.181 5.139 1.00 0.00 N ATOM 508 CA GLU A 41 1.410 10.222 4.359 1.00 0.00 C ATOM 509 C GLU A 41 1.346 9.914 2.864 1.00 0.00 C ATOM 510 O GLU A 41 1.310 8.749 2.462 1.00 0.00 O ATOM 511 CB GLU A 41 2.869 10.358 4.801 1.00 0.00 C ATOM 512 CG GLU A 41 3.347 11.798 4.923 1.00 0.00 C ATOM 513 CD GLU A 41 4.643 11.914 5.703 1.00 0.00 C ATOM 514 OE1 GLU A 41 5.628 11.242 5.325 1.00 0.00 O ATOM 515 OE2 GLU A 41 4.674 12.675 6.693 1.00 0.00 O ATOM 0 H GLU A 41 1.272 8.313 5.223 1.00 0.00 H new ATOM 0 HA GLU A 41 0.891 11.164 4.537 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.994 9.862 5.763 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.505 9.834 4.087 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.487 12.217 3.927 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.577 12.393 5.413 1.00 0.00 H new ATOM 522 N ILE A 42 1.333 10.967 2.047 1.00 0.00 N ATOM 523 CA ILE A 42 1.276 10.816 0.594 1.00 0.00 C ATOM 524 C ILE A 42 2.328 11.696 -0.084 1.00 0.00 C ATOM 525 O ILE A 42 2.326 12.917 0.082 1.00 0.00 O ATOM 526 CB ILE A 42 -0.124 11.177 0.043 1.00 0.00 C ATOM 527 CG1 ILE A 42 -1.219 10.445 0.831 1.00 0.00 C ATOM 528 CG2 ILE A 42 -0.220 10.842 -1.442 1.00 0.00 C ATOM 529 CD1 ILE A 42 -2.624 10.763 0.363 1.00 0.00 C ATOM 0 H ILE A 42 1.361 11.935 2.368 1.00 0.00 H new ATOM 0 HA ILE A 42 1.481 9.769 0.371 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.272 12.250 0.163 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.054 9.370 0.752 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.130 10.704 1.886 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.212 11.103 -1.811 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.532 11.408 -1.992 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.049 9.775 -1.586 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.343 10.209 0.967 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.809 11.832 0.468 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.732 10.477 -0.683 1.00 0.00 H new ATOM 541 N HIS A 43 3.223 11.069 -0.849 1.00 0.00 N ATOM 542 CA HIS A 43 4.279 11.795 -1.552 1.00 0.00 C ATOM 543 C HIS A 43 3.710 12.557 -2.750 1.00 0.00 C ATOM 544 O HIS A 43 3.221 11.950 -3.704 1.00 0.00 O ATOM 545 CB HIS A 43 5.373 10.830 -2.021 1.00 0.00 C ATOM 546 CG HIS A 43 6.479 10.639 -1.028 1.00 0.00 C ATOM 547 ND1 HIS A 43 7.802 10.905 -1.314 1.00 0.00 N ATOM 548 CD2 HIS A 43 6.454 10.202 0.254 1.00 0.00 C ATOM 549 CE1 HIS A 43 8.543 10.640 -0.252 1.00 0.00 C ATOM 550 NE2 HIS A 43 7.748 10.212 0.712 1.00 0.00 N ATOM 0 H HIS A 43 3.237 10.060 -0.997 1.00 0.00 H new ATOM 0 HA HIS A 43 4.714 12.513 -0.857 1.00 0.00 H new ATOM 0 HB2 HIS A 43 4.922 9.862 -2.238 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.796 11.201 -2.955 1.00 0.00 H new ATOM 0 HD2 HIS A 43 5.579 9.902 0.812 1.00 0.00 H new ATOM 0 HE1 HIS A 43 9.615 10.754 -0.184 1.00 0.00 H new ATOM 0 HE2 HIS A 43 8.047 9.934 1.646 1.00 0.00 H new ATOM 559 N PRO A 44 3.764 13.904 -2.712 1.00 0.00 N ATOM 560 CA PRO A 44 3.249 14.750 -3.797 1.00 0.00 C ATOM 561 C PRO A 44 4.071 14.627 -5.080 1.00 0.00 C ATOM 562 O PRO A 44 5.300 14.543 -5.036 1.00 0.00 O ATOM 563 CB PRO A 44 3.356 16.169 -3.231 1.00 0.00 C ATOM 564 CG PRO A 44 4.418 16.088 -2.189 1.00 0.00 C ATOM 565 CD PRO A 44 4.327 14.706 -1.608 1.00 0.00 C ATOM 0 HA PRO A 44 2.236 14.464 -4.081 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.620 16.886 -4.009 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.408 16.496 -2.804 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.403 16.265 -2.622 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.267 16.845 -1.419 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.305 14.335 -1.300 1.00 0.00 H new ATOM 0 HD3 PRO A 44 3.685 14.682 -0.727 1.00 0.00 H new ATOM 573 N GLY A 45 3.380 14.621 -6.220 1.00 0.00 N ATOM 574 CA GLY A 45 4.052 14.509 -7.505 1.00 0.00 C ATOM 575 C GLY A 45 4.475 13.084 -7.825 1.00 0.00 C ATOM 576 O GLY A 45 5.462 12.866 -8.529 1.00 0.00 O ATOM 0 H GLY A 45 2.364 14.692 -6.276 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.388 14.871 -8.290 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.931 15.154 -7.508 1.00 0.00 H new ATOM 580 N GLN A 46 3.721 12.115 -7.307 1.00 0.00 N ATOM 581 CA GLN A 46 4.006 10.702 -7.534 1.00 0.00 C ATOM 582 C GLN A 46 2.758 9.984 -8.054 1.00 0.00 C ATOM 583 O GLN A 46 1.673 10.568 -8.086 1.00 0.00 O ATOM 584 CB GLN A 46 4.482 10.052 -6.229 1.00 0.00 C ATOM 585 CG GLN A 46 5.974 9.749 -6.201 1.00 0.00 C ATOM 586 CD GLN A 46 6.833 10.987 -6.391 1.00 0.00 C ATOM 587 OE1 GLN A 46 7.683 11.034 -7.279 1.00 0.00 O ATOM 588 NE2 GLN A 46 6.621 11.999 -5.554 1.00 0.00 N ATOM 0 H GLN A 46 2.902 12.287 -6.723 1.00 0.00 H new ATOM 0 HA GLN A 46 4.793 10.617 -8.283 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.239 10.712 -5.396 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.930 9.125 -6.073 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.226 9.280 -5.250 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.208 9.027 -6.984 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.906 11.921 -4.830 1.00 0.00 H new ATOM 0 HE22 GLN A 46 7.173 12.853 -5.636 1.00 0.00 H new ATOM 597 N PRO A 47 2.890 8.702 -8.462 1.00 0.00 N ATOM 598 CA PRO A 47 1.760 7.909 -8.971 1.00 0.00 C ATOM 599 C PRO A 47 0.559 7.913 -8.024 1.00 0.00 C ATOM 600 O PRO A 47 -0.585 7.837 -8.469 1.00 0.00 O ATOM 601 CB PRO A 47 2.338 6.497 -9.081 1.00 0.00 C ATOM 602 CG PRO A 47 3.799 6.702 -9.262 1.00 0.00 C ATOM 603 CD PRO A 47 4.145 7.924 -8.456 1.00 0.00 C ATOM 0 HA PRO A 47 1.381 8.310 -9.911 1.00 0.00 H new ATOM 0 HB2 PRO A 47 2.128 5.912 -8.186 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.906 5.957 -9.923 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.361 5.834 -8.917 1.00 0.00 H new ATOM 0 HG3 PRO A 47 4.046 6.845 -10.314 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.452 7.664 -7.443 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.967 8.482 -8.905 1.00 0.00 H new ATOM 611 N ALA A 48 0.829 8.002 -6.718 1.00 0.00 N ATOM 612 CA ALA A 48 -0.232 8.017 -5.711 1.00 0.00 C ATOM 613 C ALA A 48 -1.146 9.226 -5.894 1.00 0.00 C ATOM 614 O ALA A 48 -2.372 9.097 -5.870 1.00 0.00 O ATOM 615 CB ALA A 48 0.366 8.017 -4.310 1.00 0.00 C ATOM 0 H ALA A 48 1.773 8.065 -6.336 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.831 7.115 -5.840 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.436 8.028 -3.572 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.972 7.122 -4.173 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.990 8.901 -4.181 1.00 0.00 H new ATOM 621 N ASP A 49 -0.541 10.399 -6.086 1.00 0.00 N ATOM 622 CA ASP A 49 -1.301 11.632 -6.282 1.00 0.00 C ATOM 623 C ASP A 49 -2.028 11.612 -7.624 1.00 0.00 C ATOM 624 O ASP A 49 -3.178 12.043 -7.723 1.00 0.00 O ATOM 625 CB ASP A 49 -0.376 12.851 -6.206 1.00 0.00 C ATOM 626 CG ASP A 49 -1.140 14.148 -6.016 1.00 0.00 C ATOM 627 OD1 ASP A 49 -1.992 14.210 -5.103 1.00 0.00 O ATOM 628 OD2 ASP A 49 -0.885 15.103 -6.779 1.00 0.00 O ATOM 0 H ASP A 49 0.472 10.520 -6.110 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.042 11.702 -5.486 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.324 12.721 -5.381 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.216 12.912 -7.119 1.00 0.00 H new ATOM 633 N ARG A 50 -1.350 11.103 -8.652 1.00 0.00 N ATOM 634 CA ARG A 50 -1.926 11.015 -9.994 1.00 0.00 C ATOM 635 C ARG A 50 -3.117 10.054 -10.023 1.00 0.00 C ATOM 636 O ARG A 50 -4.051 10.241 -10.803 1.00 0.00 O ATOM 637 CB ARG A 50 -0.871 10.549 -10.999 1.00 0.00 C ATOM 638 CG ARG A 50 0.246 11.554 -11.230 1.00 0.00 C ATOM 639 CD ARG A 50 0.414 11.867 -12.710 1.00 0.00 C ATOM 640 NE ARG A 50 0.925 13.219 -12.929 1.00 0.00 N ATOM 641 CZ ARG A 50 0.179 14.324 -12.841 1.00 0.00 C ATOM 642 NH1 ARG A 50 -1.113 14.243 -12.526 1.00 0.00 N ATOM 643 NH2 ARG A 50 0.728 15.512 -13.068 1.00 0.00 N ATOM 0 H ARG A 50 -0.398 10.744 -8.581 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.274 12.010 -10.269 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.437 9.613 -10.648 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.358 10.337 -11.951 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.030 12.473 -10.685 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.181 11.159 -10.832 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.096 11.145 -13.158 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.545 11.756 -13.215 1.00 0.00 H new ATOM 0 HE ARG A 50 1.912 13.325 -13.163 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.539 13.333 -12.350 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.676 15.091 -12.461 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.717 15.579 -13.309 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.161 16.357 -13.001 1.00 0.00 H new ATOM 657 N CYS A 51 -3.076 9.023 -9.175 1.00 0.00 N ATOM 658 CA CYS A 51 -4.153 8.036 -9.117 1.00 0.00 C ATOM 659 C CYS A 51 -5.430 8.630 -8.513 1.00 0.00 C ATOM 660 O CYS A 51 -6.535 8.183 -8.830 1.00 0.00 O ATOM 661 CB CYS A 51 -3.717 6.820 -8.294 1.00 0.00 C ATOM 662 SG CYS A 51 -4.359 5.245 -8.909 1.00 0.00 S ATOM 0 H CYS A 51 -2.311 8.852 -8.522 1.00 0.00 H new ATOM 0 HA CYS A 51 -4.369 7.728 -10.140 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.628 6.776 -8.280 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.044 6.956 -7.263 1.00 0.00 H new ATOM 0 HG CYS A 51 -3.375 4.413 -9.082 1.00 0.00 H new ATOM 668 N GLY A 52 -5.278 9.635 -7.646 1.00 0.00 N ATOM 669 CA GLY A 52 -6.434 10.263 -7.020 1.00 0.00 C ATOM 670 C GLY A 52 -6.977 9.466 -5.842 1.00 0.00 C ATOM 671 O GLY A 52 -7.084 9.990 -4.732 1.00 0.00 O ATOM 0 H GLY A 52 -4.377 10.024 -7.367 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.159 11.262 -6.680 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.222 10.385 -7.763 1.00 0.00 H new ATOM 675 N GLY A 53 -7.323 8.199 -6.089 1.00 0.00 N ATOM 676 CA GLY A 53 -7.860 7.338 -5.041 1.00 0.00 C ATOM 677 C GLY A 53 -6.978 7.266 -3.802 1.00 0.00 C ATOM 678 O GLY A 53 -7.480 7.050 -2.697 1.00 0.00 O ATOM 0 H GLY A 53 -7.240 7.752 -7.002 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -8.847 7.701 -4.754 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.994 6.333 -5.441 1.00 0.00 H new ATOM 682 N LEU A 54 -5.666 7.449 -3.981 1.00 0.00 N ATOM 683 CA LEU A 54 -4.727 7.408 -2.861 1.00 0.00 C ATOM 684 C LEU A 54 -5.012 8.547 -1.880 1.00 0.00 C ATOM 685 O LEU A 54 -4.583 9.685 -2.085 1.00 0.00 O ATOM 686 CB LEU A 54 -3.279 7.483 -3.365 1.00 0.00 C ATOM 687 CG LEU A 54 -2.342 6.401 -2.819 1.00 0.00 C ATOM 688 CD1 LEU A 54 -2.407 6.348 -1.300 1.00 0.00 C ATOM 689 CD2 LEU A 54 -2.682 5.044 -3.420 1.00 0.00 C ATOM 0 H LEU A 54 -5.234 7.626 -4.888 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.859 6.461 -2.338 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.286 7.420 -4.453 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.871 8.460 -3.105 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.322 6.656 -3.106 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.734 5.573 -0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.108 7.312 -0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.426 6.121 -0.987 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.005 4.289 -3.020 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.709 4.781 -3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.575 5.089 -4.504 1.00 0.00 H new ATOM 701 N HIS A 55 -5.759 8.226 -0.824 1.00 0.00 N ATOM 702 CA HIS A 55 -6.135 9.204 0.194 1.00 0.00 C ATOM 703 C HIS A 55 -5.595 8.810 1.567 1.00 0.00 C ATOM 704 O HIS A 55 -5.326 7.635 1.824 1.00 0.00 O ATOM 705 CB HIS A 55 -7.665 9.332 0.259 1.00 0.00 C ATOM 706 CG HIS A 55 -8.372 8.026 0.501 1.00 0.00 C ATOM 707 ND1 HIS A 55 -8.197 7.270 1.645 1.00 0.00 N ATOM 708 CD2 HIS A 55 -9.249 7.334 -0.269 1.00 0.00 C ATOM 709 CE1 HIS A 55 -8.932 6.176 1.566 1.00 0.00 C ATOM 710 NE2 HIS A 55 -9.579 6.190 0.417 1.00 0.00 N ATOM 0 H HIS A 55 -6.118 7.287 -0.651 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.698 10.163 -0.084 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -7.929 10.030 1.053 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -8.025 9.762 -0.676 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -9.619 7.628 -1.240 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -8.993 5.401 2.316 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.221 5.468 0.090 1.00 0.00 H new ATOM 719 N VAL A 56 -5.457 9.796 2.454 1.00 0.00 N ATOM 720 CA VAL A 56 -4.970 9.541 3.808 1.00 0.00 C ATOM 721 C VAL A 56 -6.006 8.737 4.596 1.00 0.00 C ATOM 722 O VAL A 56 -7.185 9.096 4.627 1.00 0.00 O ATOM 723 CB VAL A 56 -4.661 10.850 4.569 1.00 0.00 C ATOM 724 CG1 VAL A 56 -4.043 10.552 5.930 1.00 0.00 C ATOM 725 CG2 VAL A 56 -3.746 11.750 3.751 1.00 0.00 C ATOM 0 H VAL A 56 -5.675 10.773 2.260 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.044 8.974 3.715 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.602 11.376 4.729 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.834 11.488 6.448 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.738 9.957 6.523 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.115 9.997 5.794 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.543 12.665 4.308 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.808 11.231 3.552 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.230 12.000 2.807 1.00 0.00 H new ATOM 735 N GLY A 57 -5.563 7.649 5.223 1.00 0.00 N ATOM 736 CA GLY A 57 -6.469 6.810 5.994 1.00 0.00 C ATOM 737 C GLY A 57 -6.897 5.562 5.236 1.00 0.00 C ATOM 738 O GLY A 57 -8.065 5.174 5.278 1.00 0.00 O ATOM 0 H GLY A 57 -4.593 7.333 5.211 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.984 6.517 6.925 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.353 7.388 6.264 1.00 0.00 H new ATOM 742 N ASP A 58 -5.942 4.934 4.547 1.00 0.00 N ATOM 743 CA ASP A 58 -6.208 3.721 3.775 1.00 0.00 C ATOM 744 C ASP A 58 -5.569 2.504 4.448 1.00 0.00 C ATOM 745 O ASP A 58 -4.358 2.483 4.673 1.00 0.00 O ATOM 746 CB ASP A 58 -5.667 3.871 2.346 1.00 0.00 C ATOM 747 CG ASP A 58 -6.768 3.966 1.304 1.00 0.00 C ATOM 748 OD1 ASP A 58 -7.761 3.214 1.413 1.00 0.00 O ATOM 749 OD2 ASP A 58 -6.634 4.791 0.376 1.00 0.00 O ATOM 0 H ASP A 58 -4.972 5.249 4.509 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.287 3.571 3.733 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.044 4.763 2.291 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.027 3.020 2.114 1.00 0.00 H new ATOM 754 N ALA A 59 -6.384 1.497 4.769 1.00 0.00 N ATOM 755 CA ALA A 59 -5.887 0.282 5.419 1.00 0.00 C ATOM 756 C ALA A 59 -5.582 -0.811 4.398 1.00 0.00 C ATOM 757 O ALA A 59 -6.432 -1.161 3.580 1.00 0.00 O ATOM 758 CB ALA A 59 -6.893 -0.220 6.448 1.00 0.00 C ATOM 0 H ALA A 59 -7.388 1.498 4.590 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.957 0.533 5.928 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.509 -1.123 6.922 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.052 0.547 7.205 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.838 -0.444 5.954 1.00 0.00 H new ATOM 764 N ILE A 60 -4.363 -1.350 4.458 1.00 0.00 N ATOM 765 CA ILE A 60 -3.939 -2.408 3.540 1.00 0.00 C ATOM 766 C ILE A 60 -4.516 -3.762 3.948 1.00 0.00 C ATOM 767 O ILE A 60 -4.602 -4.079 5.136 1.00 0.00 O ATOM 768 CB ILE A 60 -2.399 -2.535 3.481 1.00 0.00 C ATOM 769 CG1 ILE A 60 -1.746 -1.180 3.190 1.00 0.00 C ATOM 770 CG2 ILE A 60 -1.994 -3.559 2.430 1.00 0.00 C ATOM 771 CD1 ILE A 60 -0.380 -1.025 3.824 1.00 0.00 C ATOM 0 H ILE A 60 -3.652 -1.071 5.133 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.316 -2.126 2.557 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.048 -2.875 4.455 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.655 -1.053 2.111 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.399 -0.385 3.551 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.907 -3.638 2.399 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.422 -4.529 2.683 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.363 -3.244 1.454 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.026 -0.044 3.579 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.468 -1.121 4.906 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.287 -1.799 3.444 1.00 0.00 H new ATOM 783 N LEU A 61 -4.893 -4.561 2.952 1.00 0.00 N ATOM 784 CA LEU A 61 -5.447 -5.889 3.198 1.00 0.00 C ATOM 785 C LEU A 61 -4.742 -6.944 2.339 1.00 0.00 C ATOM 786 O LEU A 61 -4.287 -7.967 2.855 1.00 0.00 O ATOM 787 CB LEU A 61 -6.954 -5.897 2.928 1.00 0.00 C ATOM 788 CG LEU A 61 -7.799 -5.135 3.956 1.00 0.00 C ATOM 789 CD1 LEU A 61 -9.212 -4.915 3.434 1.00 0.00 C ATOM 790 CD2 LEU A 61 -7.830 -5.882 5.283 1.00 0.00 C ATOM 0 H LEU A 61 -4.824 -4.311 1.966 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.280 -6.139 4.246 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.134 -5.468 1.942 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.296 -6.931 2.893 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.339 -4.160 4.120 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.795 -4.373 4.179 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.173 -4.336 2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.681 -5.879 3.238 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.434 -5.326 6.000 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.263 -6.871 5.134 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.815 -5.984 5.667 1.00 0.00 H new ATOM 802 N ALA A 62 -4.647 -6.689 1.029 1.00 0.00 N ATOM 803 CA ALA A 62 -3.989 -7.619 0.113 1.00 0.00 C ATOM 804 C ALA A 62 -3.041 -6.895 -0.843 1.00 0.00 C ATOM 805 O ALA A 62 -3.307 -5.767 -1.265 1.00 0.00 O ATOM 806 CB ALA A 62 -5.026 -8.413 -0.671 1.00 0.00 C ATOM 0 H ALA A 62 -5.017 -5.849 0.584 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.392 -8.306 0.713 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.521 -9.101 -1.349 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.651 -8.978 0.021 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.649 -7.729 -1.247 1.00 0.00 H new ATOM 812 N VAL A 63 -1.936 -7.560 -1.186 1.00 0.00 N ATOM 813 CA VAL A 63 -0.944 -6.998 -2.099 1.00 0.00 C ATOM 814 C VAL A 63 -0.863 -7.836 -3.371 1.00 0.00 C ATOM 815 O VAL A 63 -0.477 -9.006 -3.327 1.00 0.00 O ATOM 816 CB VAL A 63 0.454 -6.931 -1.445 1.00 0.00 C ATOM 817 CG1 VAL A 63 1.436 -6.187 -2.341 1.00 0.00 C ATOM 818 CG2 VAL A 63 0.371 -6.278 -0.071 1.00 0.00 C ATOM 0 H VAL A 63 -1.707 -8.493 -0.842 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.261 -5.984 -2.343 1.00 0.00 H new ATOM 0 HB VAL A 63 0.821 -7.949 -1.317 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.413 -6.152 -1.860 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.520 -6.704 -3.297 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.078 -5.171 -2.508 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.365 -6.240 0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.021 -5.266 -0.172 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.291 -6.861 0.569 1.00 0.00 H new ATOM 828 N ASN A 64 -1.237 -7.231 -4.501 1.00 0.00 N ATOM 829 CA ASN A 64 -1.223 -7.917 -5.796 1.00 0.00 C ATOM 830 C ASN A 64 -2.008 -9.234 -5.728 1.00 0.00 C ATOM 831 O ASN A 64 -1.646 -10.220 -6.374 1.00 0.00 O ATOM 832 CB ASN A 64 0.220 -8.175 -6.253 1.00 0.00 C ATOM 833 CG ASN A 64 0.398 -7.990 -7.753 1.00 0.00 C ATOM 834 OD1 ASN A 64 0.024 -8.857 -8.543 1.00 0.00 O ATOM 835 ND2 ASN A 64 0.973 -6.858 -8.156 1.00 0.00 N ATOM 0 H ASN A 64 -1.555 -6.263 -4.545 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.708 -7.270 -6.527 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.892 -7.498 -5.724 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.509 -9.190 -5.978 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.117 -6.685 -9.151 1.00 0.00 H new ATOM 0 HD22 ASN A 64 1.269 -6.164 -7.470 1.00 0.00 H new ATOM 842 N GLY A 65 -3.086 -9.244 -4.935 1.00 0.00 N ATOM 843 CA GLY A 65 -3.902 -10.442 -4.792 1.00 0.00 C ATOM 844 C GLY A 65 -3.467 -11.345 -3.639 1.00 0.00 C ATOM 845 O GLY A 65 -4.224 -12.223 -3.220 1.00 0.00 O ATOM 0 H GLY A 65 -3.406 -8.443 -4.391 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -4.941 -10.148 -4.640 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -3.864 -11.010 -5.721 1.00 0.00 H new ATOM 849 N VAL A 66 -2.252 -11.136 -3.124 1.00 0.00 N ATOM 850 CA VAL A 66 -1.733 -11.943 -2.019 1.00 0.00 C ATOM 851 C VAL A 66 -2.126 -11.346 -0.668 1.00 0.00 C ATOM 852 O VAL A 66 -2.020 -10.137 -0.458 1.00 0.00 O ATOM 853 CB VAL A 66 -0.197 -12.079 -2.093 1.00 0.00 C ATOM 854 CG1 VAL A 66 0.307 -13.087 -1.069 1.00 0.00 C ATOM 855 CG2 VAL A 66 0.237 -12.475 -3.498 1.00 0.00 C ATOM 0 H VAL A 66 -1.611 -10.415 -3.455 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.178 -12.934 -2.113 1.00 0.00 H new ATOM 0 HB VAL A 66 0.243 -11.110 -1.858 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.392 -13.166 -1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.032 -12.757 -0.067 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.141 -14.061 -1.266 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.323 -12.566 -3.531 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.216 -13.430 -3.763 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.085 -11.712 -4.207 1.00 0.00 H new ATOM 865 N ASN A 67 -2.582 -12.208 0.243 1.00 0.00 N ATOM 866 CA ASN A 67 -3.000 -11.777 1.578 1.00 0.00 C ATOM 867 C ASN A 67 -1.804 -11.329 2.417 1.00 0.00 C ATOM 868 O ASN A 67 -0.767 -11.993 2.438 1.00 0.00 O ATOM 869 CB ASN A 67 -3.750 -12.906 2.301 1.00 0.00 C ATOM 870 CG ASN A 67 -2.977 -14.216 2.319 1.00 0.00 C ATOM 871 OD1 ASN A 67 -2.870 -14.899 1.300 1.00 0.00 O ATOM 872 ND2 ASN A 67 -2.435 -14.573 3.479 1.00 0.00 N ATOM 0 H ASN A 67 -2.671 -13.211 0.080 1.00 0.00 H new ATOM 0 HA ASN A 67 -3.670 -10.926 1.454 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -3.958 -12.599 3.326 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -4.713 -13.065 1.815 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -1.906 -15.442 3.549 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -2.548 -13.977 4.299 1.00 0.00 H new ATOM 879 N LEU A 68 -1.959 -10.201 3.113 1.00 0.00 N ATOM 880 CA LEU A 68 -0.893 -9.666 3.962 1.00 0.00 C ATOM 881 C LEU A 68 -1.341 -9.542 5.427 1.00 0.00 C ATOM 882 O LEU A 68 -0.699 -8.849 6.218 1.00 0.00 O ATOM 883 CB LEU A 68 -0.437 -8.299 3.436 1.00 0.00 C ATOM 884 CG LEU A 68 0.949 -7.844 3.910 1.00 0.00 C ATOM 885 CD1 LEU A 68 1.829 -7.473 2.725 1.00 0.00 C ATOM 886 CD2 LEU A 68 0.831 -6.672 4.876 1.00 0.00 C ATOM 0 H LEU A 68 -2.811 -9.641 3.105 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.059 -10.366 3.927 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.439 -8.328 2.346 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.170 -7.550 3.736 1.00 0.00 H new ATOM 0 HG LEU A 68 1.417 -8.676 4.437 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.807 -7.153 3.084 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.947 -8.339 2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.364 -6.660 2.167 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.826 -6.366 5.200 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.339 -5.837 4.377 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.244 -6.973 5.744 1.00 0.00 H new ATOM 898 N ARG A 69 -2.439 -10.214 5.787 1.00 0.00 N ATOM 899 CA ARG A 69 -2.953 -10.163 7.158 1.00 0.00 C ATOM 900 C ARG A 69 -2.027 -10.897 8.133 1.00 0.00 C ATOM 901 O ARG A 69 -1.918 -10.513 9.298 1.00 0.00 O ATOM 902 CB ARG A 69 -4.365 -10.757 7.223 1.00 0.00 C ATOM 903 CG ARG A 69 -5.071 -10.522 8.553 1.00 0.00 C ATOM 904 CD ARG A 69 -6.584 -10.625 8.411 1.00 0.00 C ATOM 905 NE ARG A 69 -7.287 -9.893 9.465 1.00 0.00 N ATOM 906 CZ ARG A 69 -7.411 -8.561 9.498 1.00 0.00 C ATOM 907 NH1 ARG A 69 -6.864 -7.806 8.547 1.00 0.00 N ATOM 908 NH2 ARG A 69 -8.082 -7.984 10.490 1.00 0.00 N ATOM 0 H ARG A 69 -2.986 -10.796 5.152 1.00 0.00 H new ATOM 0 HA ARG A 69 -2.993 -9.115 7.457 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -4.967 -10.328 6.422 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.307 -11.830 7.038 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.723 -11.252 9.284 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -4.807 -9.536 8.936 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.884 -10.236 7.438 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.880 -11.674 8.439 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.709 -10.432 10.222 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.345 -8.242 7.785 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -6.964 -6.791 8.581 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -8.501 -8.556 11.223 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.178 -6.969 10.518 1.00 0.00 H new ATOM 922 N ASP A 70 -1.367 -11.952 7.654 1.00 0.00 N ATOM 923 CA ASP A 70 -0.456 -12.736 8.489 1.00 0.00 C ATOM 924 C ASP A 70 1.013 -12.344 8.268 1.00 0.00 C ATOM 925 O ASP A 70 1.920 -13.046 8.719 1.00 0.00 O ATOM 926 CB ASP A 70 -0.649 -14.231 8.216 1.00 0.00 C ATOM 927 CG ASP A 70 -1.555 -14.886 9.239 1.00 0.00 C ATOM 928 OD1 ASP A 70 -2.765 -14.575 9.245 1.00 0.00 O ATOM 929 OD2 ASP A 70 -1.056 -15.706 10.038 1.00 0.00 O ATOM 0 H ASP A 70 -1.446 -12.283 6.693 1.00 0.00 H new ATOM 0 HA ASP A 70 -0.698 -12.520 9.530 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.071 -14.365 7.220 1.00 0.00 H new ATOM 0 HB3 ASP A 70 0.321 -14.728 8.221 1.00 0.00 H new ATOM 934 N THR A 71 1.246 -11.225 7.575 1.00 0.00 N ATOM 935 CA THR A 71 2.604 -10.757 7.305 1.00 0.00 C ATOM 936 C THR A 71 2.969 -9.586 8.220 1.00 0.00 C ATOM 937 O THR A 71 2.093 -8.958 8.814 1.00 0.00 O ATOM 938 CB THR A 71 2.739 -10.338 5.834 1.00 0.00 C ATOM 939 OG1 THR A 71 1.749 -10.964 5.031 1.00 0.00 O ATOM 940 CG2 THR A 71 4.087 -10.673 5.236 1.00 0.00 C ATOM 0 H THR A 71 0.512 -10.629 7.193 1.00 0.00 H new ATOM 0 HA THR A 71 3.293 -11.578 7.505 1.00 0.00 H new ATOM 0 HB THR A 71 2.616 -9.255 5.837 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.031 -10.948 4.093 1.00 0.00 H new ATOM 0 HG21 THR A 71 4.114 -10.350 4.195 1.00 0.00 H new ATOM 0 HG22 THR A 71 4.870 -10.161 5.795 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.250 -11.750 5.286 1.00 0.00 H new ATOM 948 N LYS A 72 4.269 -9.299 8.328 1.00 0.00 N ATOM 949 CA LYS A 72 4.754 -8.203 9.172 1.00 0.00 C ATOM 950 C LYS A 72 5.003 -6.940 8.346 1.00 0.00 C ATOM 951 O LYS A 72 5.137 -7.008 7.123 1.00 0.00 O ATOM 952 CB LYS A 72 6.042 -8.620 9.892 1.00 0.00 C ATOM 953 CG LYS A 72 5.807 -9.239 11.263 1.00 0.00 C ATOM 954 CD LYS A 72 5.190 -10.628 11.157 1.00 0.00 C ATOM 955 CE LYS A 72 6.257 -11.711 11.054 1.00 0.00 C ATOM 956 NZ LYS A 72 6.131 -12.510 9.801 1.00 0.00 N ATOM 0 H LYS A 72 5.005 -9.811 7.841 1.00 0.00 H new ATOM 0 HA LYS A 72 3.985 -7.981 9.912 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.581 -9.334 9.269 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.684 -7.746 10.003 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.753 -9.301 11.801 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.151 -8.593 11.846 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.564 -10.816 12.029 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.541 -10.672 10.283 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.244 -11.250 11.091 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.182 -12.375 11.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.969 -13.117 9.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.278 -13.103 9.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.058 -11.868 8.986 1.00 0.00 H new ATOM 970 N HIS A 73 5.065 -5.786 9.020 1.00 0.00 N ATOM 971 CA HIS A 73 5.301 -4.507 8.342 1.00 0.00 C ATOM 972 C HIS A 73 6.567 -4.564 7.486 1.00 0.00 C ATOM 973 O HIS A 73 6.538 -4.218 6.305 1.00 0.00 O ATOM 974 CB HIS A 73 5.414 -3.367 9.361 1.00 0.00 C ATOM 975 CG HIS A 73 5.485 -2.002 8.742 1.00 0.00 C ATOM 976 ND1 HIS A 73 6.675 -1.382 8.419 1.00 0.00 N ATOM 977 CD2 HIS A 73 4.505 -1.133 8.394 1.00 0.00 C ATOM 978 CE1 HIS A 73 6.424 -0.192 7.902 1.00 0.00 C ATOM 979 NE2 HIS A 73 5.115 -0.017 7.875 1.00 0.00 N ATOM 0 H HIS A 73 4.955 -5.712 10.031 1.00 0.00 H new ATOM 0 HA HIS A 73 4.449 -4.316 7.690 1.00 0.00 H new ATOM 0 HB2 HIS A 73 4.556 -3.407 10.032 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.303 -3.525 9.971 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.442 -1.289 8.504 1.00 0.00 H new ATOM 0 HE1 HIS A 73 7.163 0.517 7.560 1.00 0.00 H new ATOM 0 HE2 HIS A 73 4.635 0.812 7.525 1.00 0.00 H new ATOM 988 N LYS A 74 7.675 -5.007 8.088 1.00 0.00 N ATOM 989 CA LYS A 74 8.946 -5.113 7.370 1.00 0.00 C ATOM 990 C LYS A 74 8.823 -6.073 6.187 1.00 0.00 C ATOM 991 O LYS A 74 9.346 -5.804 5.106 1.00 0.00 O ATOM 992 CB LYS A 74 10.064 -5.583 8.306 1.00 0.00 C ATOM 993 CG LYS A 74 10.722 -4.458 9.088 1.00 0.00 C ATOM 994 CD LYS A 74 11.797 -3.760 8.268 1.00 0.00 C ATOM 995 CE LYS A 74 12.519 -2.698 9.084 1.00 0.00 C ATOM 996 NZ LYS A 74 13.743 -3.236 9.745 1.00 0.00 N ATOM 0 H LYS A 74 7.717 -5.296 9.065 1.00 0.00 H new ATOM 0 HA LYS A 74 9.198 -4.122 6.993 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.656 -6.311 9.008 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.824 -6.098 7.719 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.966 -3.733 9.390 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.163 -4.858 10.001 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.517 -4.495 7.908 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.345 -3.300 7.389 1.00 0.00 H new ATOM 0 HE2 LYS A 74 12.794 -1.867 8.435 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.843 -2.301 9.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 14.204 -2.480 10.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 13.479 -4.013 10.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 14.400 -3.591 9.022 1.00 0.00 H new ATOM 1010 N GLU A 75 8.121 -7.189 6.400 1.00 0.00 N ATOM 1011 CA GLU A 75 7.919 -8.184 5.349 1.00 0.00 C ATOM 1012 C GLU A 75 7.079 -7.605 4.209 1.00 0.00 C ATOM 1013 O GLU A 75 7.325 -7.897 3.039 1.00 0.00 O ATOM 1014 CB GLU A 75 7.244 -9.437 5.914 1.00 0.00 C ATOM 1015 CG GLU A 75 8.100 -10.190 6.924 1.00 0.00 C ATOM 1016 CD GLU A 75 7.772 -11.671 7.005 1.00 0.00 C ATOM 1017 OE1 GLU A 75 6.581 -12.031 6.881 1.00 0.00 O ATOM 1018 OE2 GLU A 75 8.709 -12.472 7.200 1.00 0.00 O ATOM 0 H GLU A 75 7.684 -7.424 7.291 1.00 0.00 H new ATOM 0 HA GLU A 75 8.897 -8.461 4.955 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.305 -9.151 6.388 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.994 -10.107 5.091 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.151 -10.072 6.659 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.967 -9.741 7.908 1.00 0.00 H new ATOM 1025 N ALA A 76 6.092 -6.776 4.557 1.00 0.00 N ATOM 1026 CA ALA A 76 5.226 -6.156 3.557 1.00 0.00 C ATOM 1027 C ALA A 76 6.021 -5.231 2.639 1.00 0.00 C ATOM 1028 O ALA A 76 5.732 -5.137 1.445 1.00 0.00 O ATOM 1029 CB ALA A 76 4.097 -5.386 4.225 1.00 0.00 C ATOM 0 H ALA A 76 5.875 -6.521 5.520 1.00 0.00 H new ATOM 0 HA ALA A 76 4.795 -6.953 2.951 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.465 -4.933 3.462 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.501 -6.068 4.832 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.515 -4.605 4.860 1.00 0.00 H new ATOM 1035 N VAL A 77 7.030 -4.558 3.196 1.00 0.00 N ATOM 1036 CA VAL A 77 7.871 -3.655 2.414 1.00 0.00 C ATOM 1037 C VAL A 77 8.607 -4.426 1.319 1.00 0.00 C ATOM 1038 O VAL A 77 8.738 -3.949 0.190 1.00 0.00 O ATOM 1039 CB VAL A 77 8.903 -2.921 3.300 1.00 0.00 C ATOM 1040 CG1 VAL A 77 9.638 -1.857 2.498 1.00 0.00 C ATOM 1041 CG2 VAL A 77 8.226 -2.306 4.519 1.00 0.00 C ATOM 0 H VAL A 77 7.282 -4.622 4.182 1.00 0.00 H new ATOM 0 HA VAL A 77 7.213 -2.912 1.964 1.00 0.00 H new ATOM 0 HB VAL A 77 9.634 -3.651 3.649 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.360 -1.352 3.140 1.00 0.00 H new ATOM 0 HG12 VAL A 77 10.160 -2.326 1.664 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.922 -1.130 2.115 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.970 -1.794 5.129 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.470 -1.591 4.194 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.753 -3.092 5.108 1.00 0.00 H new ATOM 1051 N THR A 78 9.073 -5.627 1.660 1.00 0.00 N ATOM 1052 CA THR A 78 9.784 -6.474 0.708 1.00 0.00 C ATOM 1053 C THR A 78 8.875 -6.848 -0.462 1.00 0.00 C ATOM 1054 O THR A 78 9.302 -6.833 -1.618 1.00 0.00 O ATOM 1055 CB THR A 78 10.303 -7.742 1.395 1.00 0.00 C ATOM 1056 OG1 THR A 78 10.444 -7.545 2.794 1.00 0.00 O ATOM 1057 CG2 THR A 78 11.640 -8.210 0.859 1.00 0.00 C ATOM 0 H THR A 78 8.970 -6.034 2.590 1.00 0.00 H new ATOM 0 HA THR A 78 10.635 -5.911 0.325 1.00 0.00 H new ATOM 0 HB THR A 78 9.555 -8.506 1.182 1.00 0.00 H new ATOM 0 HG1 THR A 78 10.775 -8.369 3.209 1.00 0.00 H new ATOM 0 HG21 THR A 78 11.949 -9.111 1.389 1.00 0.00 H new ATOM 0 HG22 THR A 78 11.549 -8.428 -0.205 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.385 -7.428 1.007 1.00 0.00 H new ATOM 1065 N ILE A 79 7.616 -7.173 -0.152 1.00 0.00 N ATOM 1066 CA ILE A 79 6.643 -7.540 -1.181 1.00 0.00 C ATOM 1067 C ILE A 79 6.488 -6.413 -2.199 1.00 0.00 C ATOM 1068 O ILE A 79 6.484 -6.655 -3.406 1.00 0.00 O ATOM 1069 CB ILE A 79 5.254 -7.865 -0.581 1.00 0.00 C ATOM 1070 CG1 ILE A 79 5.373 -8.869 0.571 1.00 0.00 C ATOM 1071 CG2 ILE A 79 4.322 -8.403 -1.661 1.00 0.00 C ATOM 1072 CD1 ILE A 79 6.131 -10.130 0.211 1.00 0.00 C ATOM 0 H ILE A 79 7.250 -7.189 0.800 1.00 0.00 H new ATOM 0 HA ILE A 79 7.027 -8.436 -1.669 1.00 0.00 H new ATOM 0 HB ILE A 79 4.833 -6.942 -0.182 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.871 -8.385 1.411 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.373 -9.142 0.907 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.349 -8.627 -1.223 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.204 -7.655 -2.445 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.746 -9.312 -2.088 1.00 0.00 H new ATOM 0 HD11 ILE A 79 6.172 -10.790 1.078 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.623 -10.639 -0.608 1.00 0.00 H new ATOM 0 HD13 ILE A 79 7.144 -9.870 -0.096 1.00 0.00 H new ATOM 1084 N LEU A 80 6.368 -5.181 -1.700 1.00 0.00 N ATOM 1085 CA LEU A 80 6.220 -4.010 -2.562 1.00 0.00 C ATOM 1086 C LEU A 80 7.394 -3.892 -3.536 1.00 0.00 C ATOM 1087 O LEU A 80 7.206 -3.537 -4.699 1.00 0.00 O ATOM 1088 CB LEU A 80 6.113 -2.735 -1.722 1.00 0.00 C ATOM 1089 CG LEU A 80 4.686 -2.303 -1.376 1.00 0.00 C ATOM 1090 CD1 LEU A 80 4.648 -1.639 -0.007 1.00 0.00 C ATOM 1091 CD2 LEU A 80 4.141 -1.365 -2.446 1.00 0.00 C ATOM 0 H LEU A 80 6.371 -4.970 -0.702 1.00 0.00 H new ATOM 0 HA LEU A 80 5.303 -4.135 -3.138 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.666 -2.882 -0.795 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.602 -1.922 -2.259 1.00 0.00 H new ATOM 0 HG LEU A 80 4.053 -3.190 -1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.626 -1.338 0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.998 -2.343 0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.293 -0.760 -0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.125 -1.067 -2.185 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.774 -0.480 -2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.133 -1.876 -3.409 1.00 0.00 H new ATOM 1103 N SER A 81 8.603 -4.193 -3.055 1.00 0.00 N ATOM 1104 CA SER A 81 9.801 -4.122 -3.894 1.00 0.00 C ATOM 1105 C SER A 81 9.706 -5.094 -5.072 1.00 0.00 C ATOM 1106 O SER A 81 10.145 -4.780 -6.178 1.00 0.00 O ATOM 1107 CB SER A 81 11.060 -4.419 -3.074 1.00 0.00 C ATOM 1108 OG SER A 81 10.959 -3.888 -1.764 1.00 0.00 O ATOM 0 H SER A 81 8.777 -4.487 -2.094 1.00 0.00 H new ATOM 0 HA SER A 81 9.868 -3.107 -4.286 1.00 0.00 H new ATOM 0 HB2 SER A 81 11.216 -5.496 -3.021 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.931 -3.995 -3.574 1.00 0.00 H new ATOM 0 HG SER A 81 11.776 -4.094 -1.263 1.00 0.00 H new ATOM 1114 N GLN A 82 9.124 -6.274 -4.827 1.00 0.00 N ATOM 1115 CA GLN A 82 8.963 -7.292 -5.872 1.00 0.00 C ATOM 1116 C GLN A 82 8.003 -6.816 -6.973 1.00 0.00 C ATOM 1117 O GLN A 82 8.085 -7.272 -8.114 1.00 0.00 O ATOM 1118 CB GLN A 82 8.449 -8.613 -5.271 1.00 0.00 C ATOM 1119 CG GLN A 82 9.268 -9.132 -4.094 1.00 0.00 C ATOM 1120 CD GLN A 82 10.752 -9.227 -4.399 1.00 0.00 C ATOM 1121 OE1 GLN A 82 11.194 -10.126 -5.116 1.00 0.00 O ATOM 1122 NE2 GLN A 82 11.532 -8.301 -3.852 1.00 0.00 N ATOM 0 H GLN A 82 8.757 -6.547 -3.915 1.00 0.00 H new ATOM 0 HA GLN A 82 9.944 -7.460 -6.317 1.00 0.00 H new ATOM 0 HB2 GLN A 82 7.418 -8.473 -4.946 1.00 0.00 H new ATOM 0 HB3 GLN A 82 8.437 -9.373 -6.052 1.00 0.00 H new ATOM 0 HG2 GLN A 82 9.120 -8.474 -3.238 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.898 -10.116 -3.807 1.00 0.00 H new ATOM 0 HE21 GLN A 82 11.125 -7.574 -3.264 1.00 0.00 H new ATOM 0 HE22 GLN A 82 12.538 -8.317 -4.020 1.00 0.00 H new ATOM 1131 N GLN A 83 7.094 -5.900 -6.621 1.00 0.00 N ATOM 1132 CA GLN A 83 6.119 -5.365 -7.573 1.00 0.00 C ATOM 1133 C GLN A 83 6.810 -4.551 -8.671 1.00 0.00 C ATOM 1134 O GLN A 83 7.645 -3.690 -8.384 1.00 0.00 O ATOM 1135 CB GLN A 83 5.088 -4.491 -6.848 1.00 0.00 C ATOM 1136 CG GLN A 83 4.571 -5.092 -5.547 1.00 0.00 C ATOM 1137 CD GLN A 83 3.973 -6.471 -5.738 1.00 0.00 C ATOM 1138 OE1 GLN A 83 2.846 -6.608 -6.205 1.00 0.00 O ATOM 1139 NE2 GLN A 83 4.728 -7.504 -5.380 1.00 0.00 N ATOM 0 H GLN A 83 7.015 -5.514 -5.680 1.00 0.00 H new ATOM 0 HA GLN A 83 5.609 -6.208 -8.038 1.00 0.00 H new ATOM 0 HB2 GLN A 83 5.536 -3.520 -6.635 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.244 -4.314 -7.515 1.00 0.00 H new ATOM 0 HG2 GLN A 83 5.389 -5.151 -4.829 1.00 0.00 H new ATOM 0 HG3 GLN A 83 3.818 -4.430 -5.119 1.00 0.00 H new ATOM 0 HE21 GLN A 83 5.660 -7.346 -4.996 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.376 -8.455 -5.489 1.00 0.00 H new ATOM 1148 N ARG A 84 6.460 -4.833 -9.928 1.00 0.00 N ATOM 1149 CA ARG A 84 7.053 -4.133 -11.066 1.00 0.00 C ATOM 1150 C ARG A 84 5.981 -3.487 -11.943 1.00 0.00 C ATOM 1151 O ARG A 84 4.901 -4.049 -12.135 1.00 0.00 O ATOM 1152 CB ARG A 84 7.886 -5.110 -11.902 1.00 0.00 C ATOM 1153 CG ARG A 84 9.199 -4.527 -12.403 1.00 0.00 C ATOM 1154 CD ARG A 84 10.307 -5.570 -12.423 1.00 0.00 C ATOM 1155 NE ARG A 84 10.719 -5.914 -13.785 1.00 0.00 N ATOM 1156 CZ ARG A 84 11.526 -5.157 -14.538 1.00 0.00 C ATOM 1157 NH1 ARG A 84 12.006 -4.006 -14.071 1.00 0.00 N ATOM 1158 NH2 ARG A 84 11.852 -5.554 -15.764 1.00 0.00 N ATOM 0 H ARG A 84 5.770 -5.540 -10.182 1.00 0.00 H new ATOM 0 HA ARG A 84 7.695 -3.342 -10.677 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.098 -5.996 -11.304 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.295 -5.437 -12.757 1.00 0.00 H new ATOM 0 HG2 ARG A 84 9.059 -4.125 -13.407 1.00 0.00 H new ATOM 0 HG3 ARG A 84 9.495 -3.694 -11.765 1.00 0.00 H new ATOM 0 HD2 ARG A 84 11.167 -5.194 -11.869 1.00 0.00 H new ATOM 0 HD3 ARG A 84 9.966 -6.469 -11.910 1.00 0.00 H new ATOM 0 HE ARG A 84 10.369 -6.785 -14.185 1.00 0.00 H new ATOM 0 HH11 ARG A 84 11.759 -3.694 -13.132 1.00 0.00 H new ATOM 0 HH12 ARG A 84 12.620 -3.436 -14.653 1.00 0.00 H new ATOM 0 HH21 ARG A 84 11.487 -6.434 -16.129 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.467 -4.979 -16.340 1.00 0.00 H new ATOM 1172 N GLY A 85 6.296 -2.307 -12.485 1.00 0.00 N ATOM 1173 CA GLY A 85 5.363 -1.599 -13.349 1.00 0.00 C ATOM 1174 C GLY A 85 4.048 -1.282 -12.662 1.00 0.00 C ATOM 1175 O GLY A 85 3.965 -0.336 -11.873 1.00 0.00 O ATOM 0 H GLY A 85 7.185 -1.829 -12.339 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.823 -0.671 -13.689 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.168 -2.202 -14.236 1.00 0.00 H new ATOM 1179 N GLU A 86 3.022 -2.081 -12.958 1.00 0.00 N ATOM 1180 CA GLU A 86 1.703 -1.891 -12.361 1.00 0.00 C ATOM 1181 C GLU A 86 1.570 -2.717 -11.086 1.00 0.00 C ATOM 1182 O GLU A 86 1.801 -3.928 -11.088 1.00 0.00 O ATOM 1183 CB GLU A 86 0.589 -2.258 -13.351 1.00 0.00 C ATOM 1184 CG GLU A 86 0.746 -3.631 -13.990 1.00 0.00 C ATOM 1185 CD GLU A 86 -0.585 -4.245 -14.384 1.00 0.00 C ATOM 1186 OE1 GLU A 86 -1.173 -3.793 -15.388 1.00 0.00 O ATOM 1187 OE2 GLU A 86 -1.038 -5.177 -13.686 1.00 0.00 O ATOM 0 H GLU A 86 3.081 -2.865 -13.608 1.00 0.00 H new ATOM 0 HA GLU A 86 1.598 -0.836 -12.109 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.369 -2.219 -12.833 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.556 -1.505 -14.139 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.379 -3.547 -14.873 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.257 -4.296 -13.294 1.00 0.00 H new ATOM 1194 N ILE A 87 1.206 -2.050 -9.998 1.00 0.00 N ATOM 1195 CA ILE A 87 1.050 -2.712 -8.711 1.00 0.00 C ATOM 1196 C ILE A 87 -0.388 -2.616 -8.216 1.00 0.00 C ATOM 1197 O ILE A 87 -0.931 -1.520 -8.064 1.00 0.00 O ATOM 1198 CB ILE A 87 1.989 -2.105 -7.646 1.00 0.00 C ATOM 1199 CG1 ILE A 87 3.379 -1.844 -8.239 1.00 0.00 C ATOM 1200 CG2 ILE A 87 2.083 -3.029 -6.441 1.00 0.00 C ATOM 1201 CD1 ILE A 87 4.370 -1.278 -7.243 1.00 0.00 C ATOM 0 H ILE A 87 1.013 -1.049 -9.982 1.00 0.00 H new ATOM 0 HA ILE A 87 1.313 -3.759 -8.861 1.00 0.00 H new ATOM 0 HB ILE A 87 1.575 -1.151 -7.319 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.774 -2.777 -8.641 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.283 -1.152 -9.076 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.748 -2.590 -5.697 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.092 -3.164 -6.008 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.477 -3.996 -6.754 1.00 0.00 H new ATOM 0 HD11 ILE A 87 5.330 -1.120 -7.735 1.00 0.00 H new ATOM 0 HD12 ILE A 87 3.998 -0.328 -6.859 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.496 -1.978 -6.417 1.00 0.00 H new ATOM 1213 N GLU A 88 -0.997 -3.771 -7.959 1.00 0.00 N ATOM 1214 CA GLU A 88 -2.370 -3.821 -7.473 1.00 0.00 C ATOM 1215 C GLU A 88 -2.393 -3.884 -5.950 1.00 0.00 C ATOM 1216 O GLU A 88 -1.781 -4.769 -5.349 1.00 0.00 O ATOM 1217 CB GLU A 88 -3.100 -5.031 -8.058 1.00 0.00 C ATOM 1218 CG GLU A 88 -4.613 -4.957 -7.918 1.00 0.00 C ATOM 1219 CD GLU A 88 -5.161 -5.963 -6.923 1.00 0.00 C ATOM 1220 OE1 GLU A 88 -4.927 -5.789 -5.708 1.00 0.00 O ATOM 1221 OE2 GLU A 88 -5.828 -6.925 -7.360 1.00 0.00 O ATOM 0 H GLU A 88 -0.559 -4.684 -8.080 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.881 -2.914 -7.795 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.845 -5.123 -9.114 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.742 -5.934 -7.564 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.896 -3.952 -7.605 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.072 -5.128 -8.892 1.00 0.00 H new ATOM 1228 N PHE A 89 -3.096 -2.940 -5.330 1.00 0.00 N ATOM 1229 CA PHE A 89 -3.190 -2.890 -3.876 1.00 0.00 C ATOM 1230 C PHE A 89 -4.644 -2.810 -3.420 1.00 0.00 C ATOM 1231 O PHE A 89 -5.414 -1.974 -3.900 1.00 0.00 O ATOM 1232 CB PHE A 89 -2.402 -1.694 -3.335 1.00 0.00 C ATOM 1233 CG PHE A 89 -1.141 -2.081 -2.612 1.00 0.00 C ATOM 1234 CD1 PHE A 89 0.015 -2.381 -3.317 1.00 0.00 C ATOM 1235 CD2 PHE A 89 -1.112 -2.140 -1.228 1.00 0.00 C ATOM 1236 CE1 PHE A 89 1.175 -2.734 -2.654 1.00 0.00 C ATOM 1237 CE2 PHE A 89 0.046 -2.493 -0.560 1.00 0.00 C ATOM 1238 CZ PHE A 89 1.190 -2.790 -1.274 1.00 0.00 C ATOM 0 H PHE A 89 -3.608 -2.201 -5.812 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.760 -3.810 -3.479 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.148 -1.033 -4.163 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.040 -1.126 -2.658 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.009 -2.338 -4.396 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.004 -1.908 -0.665 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.069 -2.966 -3.214 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.056 -2.536 0.519 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.095 -3.066 -0.754 1.00 0.00 H new ATOM 1248 N GLU A 90 -5.009 -3.686 -2.486 1.00 0.00 N ATOM 1249 CA GLU A 90 -6.364 -3.725 -1.949 1.00 0.00 C ATOM 1250 C GLU A 90 -6.413 -3.041 -0.585 1.00 0.00 C ATOM 1251 O GLU A 90 -5.792 -3.505 0.375 1.00 0.00 O ATOM 1252 CB GLU A 90 -6.833 -5.179 -1.837 1.00 0.00 C ATOM 1253 CG GLU A 90 -8.305 -5.337 -1.490 1.00 0.00 C ATOM 1254 CD GLU A 90 -8.563 -6.532 -0.591 1.00 0.00 C ATOM 1255 OE1 GLU A 90 -8.339 -7.675 -1.044 1.00 0.00 O ATOM 1256 OE2 GLU A 90 -8.984 -6.326 0.564 1.00 0.00 O ATOM 0 H GLU A 90 -4.380 -4.381 -2.085 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.031 -3.189 -2.624 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.638 -5.685 -2.783 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.236 -5.683 -1.077 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.658 -4.432 -0.996 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.882 -5.445 -2.408 1.00 0.00 H new ATOM 1263 N VAL A 91 -7.149 -1.932 -0.510 1.00 0.00 N ATOM 1264 CA VAL A 91 -7.276 -1.172 0.731 1.00 0.00 C ATOM 1265 C VAL A 91 -8.717 -0.703 0.954 1.00 0.00 C ATOM 1266 O VAL A 91 -9.566 -0.836 0.069 1.00 0.00 O ATOM 1267 CB VAL A 91 -6.336 0.057 0.740 1.00 0.00 C ATOM 1268 CG1 VAL A 91 -4.880 -0.375 0.850 1.00 0.00 C ATOM 1269 CG2 VAL A 91 -6.549 0.910 -0.503 1.00 0.00 C ATOM 0 H VAL A 91 -7.667 -1.540 -1.297 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.991 -1.844 1.540 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.579 0.661 1.614 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.238 0.506 0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.735 -0.934 1.774 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.623 -1.007 -0.000 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.878 1.768 -0.475 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.341 0.315 -1.392 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.581 1.258 -0.533 1.00 0.00 H new ATOM 1279 N VAL A 92 -8.983 -0.152 2.140 1.00 0.00 N ATOM 1280 CA VAL A 92 -10.318 0.340 2.479 1.00 0.00 C ATOM 1281 C VAL A 92 -10.252 1.725 3.126 1.00 0.00 C ATOM 1282 O VAL A 92 -9.277 2.058 3.803 1.00 0.00 O ATOM 1283 CB VAL A 92 -11.061 -0.632 3.424 1.00 0.00 C ATOM 1284 CG1 VAL A 92 -11.336 -1.952 2.721 1.00 0.00 C ATOM 1285 CG2 VAL A 92 -10.273 -0.860 4.709 1.00 0.00 C ATOM 0 H VAL A 92 -8.291 -0.036 2.881 1.00 0.00 H new ATOM 0 HA VAL A 92 -10.872 0.410 1.543 1.00 0.00 H new ATOM 0 HB VAL A 92 -12.015 -0.178 3.693 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -11.860 -2.624 3.401 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -11.953 -1.774 1.840 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -10.393 -2.406 2.417 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -10.820 -1.548 5.354 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -9.299 -1.286 4.468 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -10.136 0.090 5.225 1.00 0.00 H new ATOM 1295 N TYR A 93 -11.298 2.531 2.913 1.00 0.00 N ATOM 1296 CA TYR A 93 -11.358 3.881 3.477 1.00 0.00 C ATOM 1297 C TYR A 93 -11.615 3.831 4.983 1.00 0.00 C ATOM 1298 O TYR A 93 -12.627 3.288 5.432 1.00 0.00 O ATOM 1299 CB TYR A 93 -12.453 4.706 2.787 1.00 0.00 C ATOM 1300 CG TYR A 93 -12.080 6.157 2.538 1.00 0.00 C ATOM 1301 CD1 TYR A 93 -11.380 6.901 3.486 1.00 0.00 C ATOM 1302 CD2 TYR A 93 -12.436 6.784 1.349 1.00 0.00 C ATOM 1303 CE1 TYR A 93 -11.048 8.223 3.251 1.00 0.00 C ATOM 1304 CE2 TYR A 93 -12.106 8.104 1.109 1.00 0.00 C ATOM 1305 CZ TYR A 93 -11.414 8.819 2.062 1.00 0.00 C ATOM 1306 OH TYR A 93 -11.081 10.134 1.824 1.00 0.00 O ATOM 0 H TYR A 93 -12.112 2.271 2.355 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.394 4.359 3.304 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.698 4.238 1.834 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.355 4.675 3.399 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.092 6.438 4.418 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -12.980 6.229 0.599 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -10.505 8.786 3.995 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -12.389 8.573 0.178 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.411 10.400 0.941 1.00 0.00 H new ATOM 1316 N VAL A 94 -10.691 4.400 5.755 1.00 0.00 N ATOM 1317 CA VAL A 94 -10.808 4.423 7.210 1.00 0.00 C ATOM 1318 C VAL A 94 -10.756 5.857 7.736 1.00 0.00 C ATOM 1319 O VAL A 94 -9.872 6.631 7.364 1.00 0.00 O ATOM 1320 CB VAL A 94 -9.685 3.599 7.875 1.00 0.00 C ATOM 1321 CG1 VAL A 94 -9.923 3.476 9.373 1.00 0.00 C ATOM 1322 CG2 VAL A 94 -9.570 2.224 7.230 1.00 0.00 C ATOM 0 H VAL A 94 -9.851 4.852 5.395 1.00 0.00 H new ATOM 0 HA VAL A 94 -11.770 3.979 7.463 1.00 0.00 H new ATOM 0 HB VAL A 94 -8.742 4.124 7.723 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -9.120 2.892 9.822 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -9.943 4.469 9.821 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -10.877 2.979 9.550 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.772 1.661 7.714 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -10.513 1.689 7.343 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.342 2.337 6.170 1.00 0.00 H new ATOM 1332 N ALA A 95 -11.706 6.205 8.604 1.00 0.00 N ATOM 1333 CA ALA A 95 -11.766 7.545 9.181 1.00 0.00 C ATOM 1334 C ALA A 95 -11.609 7.495 10.699 1.00 0.00 C ATOM 1335 O ALA A 95 -10.589 8.011 11.203 1.00 0.00 O ATOM 1336 CB ALA A 95 -13.071 8.229 8.798 1.00 0.00 C ATOM 0 H ALA A 95 -12.444 5.577 8.922 1.00 0.00 H new ATOM 0 HA ALA A 95 -10.937 8.127 8.777 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -13.101 9.227 9.236 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.136 8.307 7.713 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -13.912 7.644 9.171 1.00 0.00 H new