USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 664 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 4 GLN : amide:sc= -0.0221! C(o=-5.3!,f=-11!) USER MOD Set 1.2: A 71 GLN : amide:sc= -5.27! C(o=-5.3!,f=-14!) USER MOD Set 2.1: A 15 GLN : amide:sc= 1.16 K(o=-2.5,f=-3.6) USER MOD Set 2.2: A 57 THR OG1 : rot 170:sc= -3.69! USER MOD Set 3.1: A 51 MET CE :methyl -178:sc= -4.05! (180deg=-3.99!) USER MOD Set 3.2: A 52 SER OG : rot -150:sc= -3.82! USER MOD Set 4.1: A 27 ASN :FLIP amide:sc= -2.97! C(o=-5.3!,f=-4.3!) USER MOD Set 4.2: A 45 LYS NZ :NH3+ 150:sc= -1.31! (180deg=-1.15!) USER MOD Set 5.1: A 43 ASN : amide:sc=-0.00656! C(o=1.1!,f=-3.6!) USER MOD Set 5.2: A 46 SER OG : rot 83:sc= 1.13 USER MOD Set 6.1: A 37 LYS NZ :NH3+ 177:sc= 0.717 (180deg=-0.0177) USER MOD Set 6.2: A 56 SER OG : rot 76:sc= 1.6 USER MOD Set 7.1: A 30 THR OG1 : rot -81:sc= -1.71! USER MOD Set 7.2: A 31 SER OG : rot 120:sc= -0.255 USER MOD Set 8.1: A 3 GLN : amide:sc= -2.3! C(o=-3.4!,f=-9.5!) USER MOD Set 8.2: A 5 LYS NZ :NH3+ -179:sc= 0.941 (180deg=0.401) USER MOD Set 8.3: A 66 GLN : amide:sc= -2.08! C(o=-3.4!,f=-10!) USER MOD Single : A 11 LYS NZ :NH3+ 179:sc= -6.27! (180deg=-6.53!) USER MOD Single : A 12 THR OG1 : rot -150:sc= -1.96! USER MOD Single : A 24 GLN : amide:sc= -2.26! C(o=-2.3!,f=-9.2!) USER MOD Single : A 40 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.107) USER MOD Single : A 41 LYS NZ :NH3+ -149:sc= 1.27 (180deg=-0.188) USER MOD Single : A 48 MET CE :methyl -163:sc= -0.103 (180deg=-0.74) USER MOD Single : A 59 THR OG1 : rot 69:sc= -0.737! USER MOD Single : A 62 THR OG1 : rot 180:sc= -4.21! USER MOD Single : A 76 LYS NZ :NH3+ 171:sc= 0.515 (180deg=0.464) USER MOD Single : A 80 TYR OH : rot 15:sc= -2.03 USER MOD Single : A 82 GLN :FLIP amide:sc= -3.49! C(o=-4.7!,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 2 -16.979 7.008 -1.300 1.00 0.00 N ATOM 2 CA VAL A 2 -17.611 5.695 -1.154 1.00 0.00 C ATOM 3 C VAL A 2 -16.539 4.647 -0.840 1.00 0.00 C ATOM 4 O VAL A 2 -16.139 3.866 -1.699 1.00 0.00 O ATOM 5 CB VAL A 2 -18.398 5.358 -2.428 1.00 0.00 C ATOM 6 CG1 VAL A 2 -19.533 6.362 -2.617 1.00 0.00 C ATOM 7 CG2 VAL A 2 -17.507 5.409 -3.669 1.00 0.00 C ATOM 0 HA VAL A 2 -18.319 5.703 -0.325 1.00 0.00 H new ATOM 0 HB VAL A 2 -18.789 4.347 -2.311 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -20.088 6.118 -3.523 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -20.203 6.320 -1.758 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -19.119 7.367 -2.705 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -18.098 5.165 -4.552 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -17.090 6.410 -3.777 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -16.696 4.688 -3.565 1.00 0.00 H new ATOM 19 N GLN A 3 -16.028 4.685 0.390 1.00 0.00 N ATOM 20 CA GLN A 3 -14.894 3.895 0.820 1.00 0.00 C ATOM 21 C GLN A 3 -15.270 2.852 1.864 1.00 0.00 C ATOM 22 O GLN A 3 -15.688 3.210 2.963 1.00 0.00 O ATOM 23 CB GLN A 3 -13.906 4.893 1.425 1.00 0.00 C ATOM 24 CG GLN A 3 -12.534 4.292 1.702 1.00 0.00 C ATOM 25 CD GLN A 3 -11.671 5.294 2.452 1.00 0.00 C ATOM 26 OE1 GLN A 3 -11.219 5.007 3.553 1.00 0.00 O ATOM 27 NE2 GLN A 3 -11.465 6.483 1.892 1.00 0.00 N ATOM 0 H GLN A 3 -16.406 5.282 1.126 1.00 0.00 H new ATOM 0 HA GLN A 3 -14.481 3.342 -0.024 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -13.794 5.739 0.747 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -14.318 5.283 2.356 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -12.639 3.379 2.288 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -12.053 4.015 0.764 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -11.857 6.689 0.973 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -10.915 7.189 2.382 1.00 0.00 H new ATOM 36 N GLN A 4 -15.043 1.573 1.567 1.00 0.00 N ATOM 37 CA GLN A 4 -15.279 0.535 2.554 1.00 0.00 C ATOM 38 C GLN A 4 -13.970 -0.216 2.775 1.00 0.00 C ATOM 39 O GLN A 4 -13.098 -0.208 1.908 1.00 0.00 O ATOM 40 CB GLN A 4 -16.399 -0.427 2.121 1.00 0.00 C ATOM 41 CG GLN A 4 -17.425 -0.557 3.251 1.00 0.00 C ATOM 42 CD GLN A 4 -16.736 -1.033 4.518 1.00 0.00 C ATOM 43 OE1 GLN A 4 -16.266 -0.223 5.310 1.00 0.00 O ATOM 44 NE2 GLN A 4 -16.525 -2.335 4.649 1.00 0.00 N ATOM 0 H GLN A 4 -14.702 1.240 0.665 1.00 0.00 H new ATOM 0 HA GLN A 4 -15.613 0.994 3.485 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -16.882 -0.056 1.217 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -15.981 -1.404 1.881 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -17.909 0.404 3.428 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -18.207 -1.260 2.965 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -16.928 -2.987 3.976 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -15.960 -2.685 5.423 1.00 0.00 H new ATOM 53 N LYS A 5 -13.813 -0.835 3.941 1.00 0.00 N ATOM 54 CA LYS A 5 -12.650 -1.614 4.272 1.00 0.00 C ATOM 55 C LYS A 5 -13.017 -2.753 5.215 1.00 0.00 C ATOM 56 O LYS A 5 -14.031 -2.708 5.914 1.00 0.00 O ATOM 57 CB LYS A 5 -11.577 -0.730 4.904 1.00 0.00 C ATOM 58 CG LYS A 5 -12.146 0.336 5.844 1.00 0.00 C ATOM 59 CD LYS A 5 -12.541 1.562 5.019 1.00 0.00 C ATOM 60 CE LYS A 5 -13.140 2.645 5.906 1.00 0.00 C ATOM 61 NZ LYS A 5 -13.541 3.808 5.097 1.00 0.00 N ATOM 0 H LYS A 5 -14.508 -0.802 4.687 1.00 0.00 H new ATOM 0 HA LYS A 5 -12.252 -2.042 3.352 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.879 -1.358 5.458 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.007 -0.241 4.114 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.013 -0.055 6.377 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.406 0.610 6.596 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.666 1.954 4.501 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -13.262 1.273 4.254 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -14.004 2.250 6.440 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.413 2.951 6.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -13.932 4.545 5.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.712 4.183 4.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -14.263 3.518 4.407 1.00 0.00 H new ATOM 75 N VAL A 6 -12.173 -3.781 5.205 1.00 0.00 N ATOM 76 CA VAL A 6 -12.253 -4.943 6.072 1.00 0.00 C ATOM 77 C VAL A 6 -10.821 -5.237 6.509 1.00 0.00 C ATOM 78 O VAL A 6 -9.951 -5.416 5.662 1.00 0.00 O ATOM 79 CB VAL A 6 -12.892 -6.122 5.332 1.00 0.00 C ATOM 80 CG1 VAL A 6 -14.390 -5.869 5.183 1.00 0.00 C ATOM 81 CG2 VAL A 6 -12.284 -6.310 3.944 1.00 0.00 C ATOM 0 H VAL A 6 -11.382 -3.825 4.563 1.00 0.00 H new ATOM 0 HA VAL A 6 -12.885 -4.765 6.942 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.708 -7.025 5.914 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -14.850 -6.706 4.657 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -14.842 -5.769 6.170 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -14.549 -4.952 4.616 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -12.762 -7.155 3.449 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -12.440 -5.408 3.353 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -11.215 -6.502 4.038 1.00 0.00 H new ATOM 91 N GLU A 7 -10.529 -5.202 7.807 1.00 0.00 N ATOM 92 CA GLU A 7 -9.151 -5.375 8.230 1.00 0.00 C ATOM 93 C GLU A 7 -8.734 -6.834 8.308 1.00 0.00 C ATOM 94 O GLU A 7 -9.560 -7.723 8.506 1.00 0.00 O ATOM 95 CB GLU A 7 -8.892 -4.609 9.530 1.00 0.00 C ATOM 96 CG GLU A 7 -9.763 -5.079 10.699 1.00 0.00 C ATOM 97 CD GLU A 7 -9.189 -6.314 11.382 1.00 0.00 C ATOM 98 OE1 GLU A 7 -7.946 -6.447 11.359 1.00 0.00 O ATOM 99 OE2 GLU A 7 -10.006 -7.093 11.918 1.00 0.00 O ATOM 0 H GLU A 7 -11.205 -5.060 8.558 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.512 -4.944 7.460 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.842 -4.717 9.803 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.070 -3.547 9.359 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.857 -4.273 11.427 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.767 -5.300 10.337 1.00 0.00 H new ATOM 106 N VAL A 8 -7.432 -7.052 8.144 1.00 0.00 N ATOM 107 CA VAL A 8 -6.806 -8.359 8.152 1.00 0.00 C ATOM 108 C VAL A 8 -5.345 -8.217 8.547 1.00 0.00 C ATOM 109 O VAL A 8 -4.812 -7.111 8.587 1.00 0.00 O ATOM 110 CB VAL A 8 -6.906 -8.973 6.761 1.00 0.00 C ATOM 111 CG1 VAL A 8 -8.312 -9.513 6.592 1.00 0.00 C ATOM 112 CG2 VAL A 8 -6.631 -7.932 5.677 1.00 0.00 C ATOM 0 H VAL A 8 -6.766 -6.293 7.997 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.311 -9.005 8.870 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.164 -9.765 6.661 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.414 -9.960 5.603 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.505 -10.269 7.353 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.029 -8.699 6.698 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.709 -8.399 4.695 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.360 -7.125 5.754 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.627 -7.528 5.807 1.00 0.00 H new ATOM 122 N ARG A 9 -4.677 -9.331 8.826 1.00 0.00 N ATOM 123 CA ARG A 9 -3.278 -9.253 9.191 1.00 0.00 C ATOM 124 C ARG A 9 -2.433 -9.159 7.938 1.00 0.00 C ATOM 125 O ARG A 9 -2.791 -9.707 6.894 1.00 0.00 O ATOM 126 CB ARG A 9 -2.866 -10.514 9.933 1.00 0.00 C ATOM 127 CG ARG A 9 -1.453 -10.435 10.500 1.00 0.00 C ATOM 128 CD ARG A 9 -0.989 -11.847 10.854 1.00 0.00 C ATOM 129 NE ARG A 9 -0.313 -12.509 9.728 1.00 0.00 N ATOM 130 CZ ARG A 9 -0.880 -13.340 8.841 1.00 0.00 C ATOM 131 NH1 ARG A 9 -2.210 -13.435 8.734 1.00 0.00 N ATOM 132 NH2 ARG A 9 -0.092 -14.092 8.064 1.00 0.00 N ATOM 0 H ARG A 9 -5.072 -10.271 8.806 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.132 -8.376 9.822 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.568 -10.697 10.746 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.933 -11.366 9.256 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.778 -9.987 9.771 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.436 -9.798 11.385 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.311 -11.802 11.706 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.848 -12.443 11.161 1.00 0.00 H new ATOM 0 HE ARG A 9 0.682 -12.318 9.610 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.812 -12.870 9.333 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.623 -14.073 8.053 1.00 0.00 H new ATOM 0 HH21 ARG A 9 0.922 -14.028 8.152 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.505 -14.730 7.384 1.00 0.00 H new ATOM 146 N LEU A 10 -1.286 -8.493 8.051 1.00 0.00 N ATOM 147 CA LEU A 10 -0.349 -8.490 6.959 1.00 0.00 C ATOM 148 C LEU A 10 0.269 -9.866 6.845 1.00 0.00 C ATOM 149 O LEU A 10 1.339 -10.119 7.388 1.00 0.00 O ATOM 150 CB LEU A 10 0.753 -7.458 7.145 1.00 0.00 C ATOM 151 CG LEU A 10 0.383 -6.173 6.430 1.00 0.00 C ATOM 152 CD1 LEU A 10 -0.380 -6.519 5.153 1.00 0.00 C ATOM 153 CD2 LEU A 10 -0.424 -5.282 7.362 1.00 0.00 C ATOM 0 H LEU A 10 -0.998 -7.963 8.873 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.892 -8.227 6.051 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.905 -7.263 8.207 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.694 -7.844 6.754 1.00 0.00 H new ATOM 0 HG LEU A 10 1.277 -5.618 6.148 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.651 -5.601 4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.250 -7.131 4.507 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.284 -7.072 5.408 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.688 -4.359 6.845 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.333 -5.801 7.665 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.170 -5.046 8.245 1.00 0.00 H new ATOM 165 N LYS A 11 -0.394 -10.748 6.119 1.00 0.00 N ATOM 166 CA LYS A 11 0.150 -12.052 5.858 1.00 0.00 C ATOM 167 C LYS A 11 1.285 -11.852 4.868 1.00 0.00 C ATOM 168 O LYS A 11 2.353 -12.432 5.035 1.00 0.00 O ATOM 169 CB LYS A 11 -0.962 -12.941 5.350 1.00 0.00 C ATOM 170 CG LYS A 11 -0.392 -14.194 4.728 1.00 0.00 C ATOM 171 CD LYS A 11 -0.178 -13.990 3.238 1.00 0.00 C ATOM 172 CE LYS A 11 -1.467 -13.435 2.651 1.00 0.00 C ATOM 173 NZ LYS A 11 -2.163 -14.405 1.784 1.00 0.00 N ATOM 0 H LYS A 11 -1.310 -10.577 5.703 1.00 0.00 H new ATOM 0 HA LYS A 11 0.553 -12.547 6.742 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.628 -13.206 6.171 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.560 -12.402 4.615 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.553 -14.449 5.207 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.069 -15.032 4.894 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.649 -13.301 3.062 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.085 -14.933 2.758 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.132 -13.137 3.462 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.242 -12.536 2.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.042 -13.981 1.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.549 -14.659 0.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.389 -15.260 2.331 1.00 0.00 H new ATOM 187 N THR A 12 1.054 -11.018 3.854 1.00 0.00 N ATOM 188 CA THR A 12 2.105 -10.630 2.940 1.00 0.00 C ATOM 189 C THR A 12 3.063 -9.700 3.683 1.00 0.00 C ATOM 190 O THR A 12 4.278 -9.866 3.667 1.00 0.00 O ATOM 191 CB THR A 12 1.497 -9.877 1.747 1.00 0.00 C ATOM 192 OG1 THR A 12 0.807 -8.719 2.186 1.00 0.00 O ATOM 193 CG2 THR A 12 0.469 -10.754 1.044 1.00 0.00 C ATOM 0 H THR A 12 0.144 -10.603 3.653 1.00 0.00 H new ATOM 0 HA THR A 12 2.632 -11.512 2.577 1.00 0.00 H new ATOM 0 HB THR A 12 2.316 -9.611 1.079 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.069 -8.525 1.571 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.044 -10.211 0.200 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.951 -11.663 0.685 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.325 -11.016 1.743 1.00 0.00 H new ATOM 201 N GLY A 13 2.483 -8.699 4.354 1.00 0.00 N ATOM 202 CA GLY A 13 3.253 -7.582 4.864 1.00 0.00 C ATOM 203 C GLY A 13 3.838 -6.844 3.669 1.00 0.00 C ATOM 204 O GLY A 13 4.922 -6.284 3.767 1.00 0.00 O ATOM 0 H GLY A 13 1.484 -8.648 4.551 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.620 -6.917 5.452 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.047 -7.933 5.523 1.00 0.00 H new ATOM 208 N LEU A 14 3.151 -6.945 2.523 1.00 0.00 N ATOM 209 CA LEU A 14 3.381 -6.207 1.296 1.00 0.00 C ATOM 210 C LEU A 14 4.868 -6.012 1.042 1.00 0.00 C ATOM 211 O LEU A 14 5.369 -4.890 0.991 1.00 0.00 O ATOM 212 CB LEU A 14 2.587 -4.914 1.322 1.00 0.00 C ATOM 213 CG LEU A 14 1.071 -5.161 1.243 1.00 0.00 C ATOM 214 CD1 LEU A 14 0.670 -6.079 0.100 1.00 0.00 C ATOM 215 CD2 LEU A 14 0.479 -5.778 2.503 1.00 0.00 C ATOM 0 H LEU A 14 2.368 -7.592 2.434 1.00 0.00 H new ATOM 0 HA LEU A 14 3.019 -6.783 0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.817 -4.367 2.236 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.895 -4.284 0.487 1.00 0.00 H new ATOM 0 HG LEU A 14 0.677 -4.156 1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.412 -6.211 0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.980 -5.638 -0.847 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.154 -7.048 0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.593 -5.921 2.369 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.953 -6.741 2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.653 -5.114 3.350 1.00 0.00 H new ATOM 227 N GLN A 15 5.555 -7.130 0.875 1.00 0.00 N ATOM 228 CA GLN A 15 6.997 -7.122 0.750 1.00 0.00 C ATOM 229 C GLN A 15 7.471 -7.082 -0.700 1.00 0.00 C ATOM 230 O GLN A 15 8.150 -6.138 -1.093 1.00 0.00 O ATOM 231 CB GLN A 15 7.581 -8.302 1.526 1.00 0.00 C ATOM 232 CG GLN A 15 7.078 -8.248 2.971 1.00 0.00 C ATOM 233 CD GLN A 15 7.734 -9.315 3.833 1.00 0.00 C ATOM 234 OE1 GLN A 15 8.945 -9.306 4.028 1.00 0.00 O ATOM 235 NE2 GLN A 15 6.949 -10.250 4.358 1.00 0.00 N ATOM 0 H GLN A 15 5.132 -8.057 0.823 1.00 0.00 H new ATOM 0 HA GLN A 15 7.371 -6.197 1.188 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.286 -9.242 1.060 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.670 -8.264 1.505 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.283 -7.263 3.391 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.996 -8.382 2.985 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.945 -10.233 4.179 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.350 -10.985 4.940 1.00 0.00 H new ATOM 244 N ALA A 16 7.141 -8.093 -1.505 1.00 0.00 N ATOM 245 CA ALA A 16 7.644 -8.154 -2.865 1.00 0.00 C ATOM 246 C ALA A 16 6.652 -8.720 -3.879 1.00 0.00 C ATOM 247 O ALA A 16 6.595 -8.232 -5.005 1.00 0.00 O ATOM 248 CB ALA A 16 8.927 -8.979 -2.871 1.00 0.00 C ATOM 0 H ALA A 16 6.535 -8.869 -1.237 1.00 0.00 H new ATOM 0 HA ALA A 16 7.827 -7.128 -3.183 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.319 -9.035 -3.887 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.666 -8.508 -2.223 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.715 -9.985 -2.508 1.00 0.00 H new ATOM 254 N ARG A 17 5.881 -9.752 -3.533 1.00 0.00 N ATOM 255 CA ARG A 17 4.985 -10.323 -4.532 1.00 0.00 C ATOM 256 C ARG A 17 3.530 -10.130 -4.166 1.00 0.00 C ATOM 257 O ARG A 17 2.856 -9.364 -4.853 1.00 0.00 O ATOM 258 CB ARG A 17 5.307 -11.782 -4.863 1.00 0.00 C ATOM 259 CG ARG A 17 4.298 -12.282 -5.907 1.00 0.00 C ATOM 260 CD ARG A 17 4.151 -11.259 -7.039 1.00 0.00 C ATOM 261 NE ARG A 17 3.041 -11.588 -7.944 1.00 0.00 N ATOM 262 CZ ARG A 17 2.020 -10.755 -8.207 1.00 0.00 C ATOM 263 NH1 ARG A 17 1.825 -9.656 -7.475 1.00 0.00 N ATOM 264 NH2 ARG A 17 1.173 -11.007 -9.209 1.00 0.00 N ATOM 0 H ARG A 17 5.858 -10.191 -2.613 1.00 0.00 H new ATOM 0 HA ARG A 17 5.162 -9.762 -5.450 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.323 -11.867 -5.248 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.255 -12.394 -3.963 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.628 -13.238 -6.313 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.331 -12.453 -5.435 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.989 -10.269 -6.613 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.080 -11.213 -7.608 1.00 0.00 H new ATOM 0 HE ARG A 17 3.046 -12.501 -8.399 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.456 -9.439 -6.703 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.045 -9.034 -7.687 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.297 -11.840 -9.785 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.402 -10.367 -9.398 1.00 0.00 H new ATOM 278 N PRO A 18 3.021 -10.810 -3.131 1.00 0.00 N ATOM 279 CA PRO A 18 1.663 -10.615 -2.662 1.00 0.00 C ATOM 280 C PRO A 18 1.461 -9.154 -2.272 1.00 0.00 C ATOM 281 O PRO A 18 0.338 -8.665 -2.310 1.00 0.00 O ATOM 282 CB PRO A 18 1.485 -11.563 -1.491 1.00 0.00 C ATOM 283 CG PRO A 18 2.901 -11.621 -0.947 1.00 0.00 C ATOM 284 CD PRO A 18 3.739 -11.666 -2.218 1.00 0.00 C ATOM 0 HA PRO A 18 0.917 -10.830 -3.427 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.776 -11.182 -0.756 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.123 -12.542 -1.805 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.137 -10.750 -0.336 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.061 -12.501 -0.324 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.752 -11.304 -2.043 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.826 -12.681 -2.605 1.00 0.00 H new ATOM 292 N ALA A 19 2.547 -8.451 -1.936 1.00 0.00 N ATOM 293 CA ALA A 19 2.544 -7.016 -1.759 1.00 0.00 C ATOM 294 C ALA A 19 1.979 -6.339 -2.998 1.00 0.00 C ATOM 295 O ALA A 19 0.980 -5.616 -2.951 1.00 0.00 O ATOM 296 CB ALA A 19 3.993 -6.577 -1.656 1.00 0.00 C ATOM 0 H ALA A 19 3.460 -8.879 -1.780 1.00 0.00 H new ATOM 0 HA ALA A 19 1.953 -6.755 -0.881 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.037 -5.496 -1.521 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.462 -7.068 -0.804 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.522 -6.851 -2.569 1.00 0.00 H new ATOM 302 N ALA A 20 2.651 -6.611 -4.118 1.00 0.00 N ATOM 303 CA ALA A 20 2.295 -6.097 -5.420 1.00 0.00 C ATOM 304 C ALA A 20 0.920 -6.618 -5.797 1.00 0.00 C ATOM 305 O ALA A 20 0.149 -5.902 -6.417 1.00 0.00 O ATOM 306 CB ALA A 20 3.340 -6.538 -6.441 1.00 0.00 C ATOM 0 H ALA A 20 3.476 -7.210 -4.134 1.00 0.00 H new ATOM 0 HA ALA A 20 2.267 -5.008 -5.402 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.074 -6.151 -7.425 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.317 -6.151 -6.152 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.377 -7.627 -6.477 1.00 0.00 H new ATOM 312 N LEU A 21 0.615 -7.855 -5.404 1.00 0.00 N ATOM 313 CA LEU A 21 -0.664 -8.505 -5.627 1.00 0.00 C ATOM 314 C LEU A 21 -1.769 -7.677 -4.974 1.00 0.00 C ATOM 315 O LEU A 21 -2.789 -7.401 -5.600 1.00 0.00 O ATOM 316 CB LEU A 21 -0.576 -9.917 -5.043 1.00 0.00 C ATOM 317 CG LEU A 21 -1.594 -10.881 -5.650 1.00 0.00 C ATOM 318 CD1 LEU A 21 -3.025 -10.408 -5.419 1.00 0.00 C ATOM 319 CD2 LEU A 21 -1.320 -11.024 -7.142 1.00 0.00 C ATOM 0 H LEU A 21 1.279 -8.447 -4.905 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.901 -8.579 -6.688 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.428 -10.309 -5.205 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.729 -9.868 -3.965 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.489 -11.848 -5.159 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.720 -11.120 -5.865 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.216 -10.337 -4.348 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.163 -9.429 -5.878 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.044 -11.711 -7.581 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.407 -10.050 -7.623 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.313 -11.414 -7.291 1.00 0.00 H new ATOM 331 N PHE A 22 -1.546 -7.266 -3.721 1.00 0.00 N ATOM 332 CA PHE A 22 -2.441 -6.417 -2.957 1.00 0.00 C ATOM 333 C PHE A 22 -2.730 -5.150 -3.751 1.00 0.00 C ATOM 334 O PHE A 22 -3.878 -4.903 -4.118 1.00 0.00 O ATOM 335 CB PHE A 22 -1.773 -6.064 -1.625 1.00 0.00 C ATOM 336 CG PHE A 22 -2.526 -5.057 -0.774 1.00 0.00 C ATOM 337 CD1 PHE A 22 -3.888 -4.797 -1.004 1.00 0.00 C ATOM 338 CD2 PHE A 22 -1.805 -4.241 0.113 1.00 0.00 C ATOM 339 CE1 PHE A 22 -4.512 -3.703 -0.381 1.00 0.00 C ATOM 340 CE2 PHE A 22 -2.435 -3.170 0.768 1.00 0.00 C ATOM 341 CZ PHE A 22 -3.795 -2.906 0.530 1.00 0.00 C ATOM 0 H PHE A 22 -0.708 -7.528 -3.202 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.380 -6.936 -2.763 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.643 -6.979 -1.048 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.777 -5.671 -1.829 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.456 -5.439 -1.661 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.759 -4.438 0.293 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.544 -3.474 -0.602 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.876 -2.550 1.453 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.288 -2.094 1.045 1.00 0.00 H new ATOM 351 N VAL A 23 -1.686 -4.355 -4.001 1.00 0.00 N ATOM 352 CA VAL A 23 -1.813 -3.108 -4.743 1.00 0.00 C ATOM 353 C VAL A 23 -2.523 -3.361 -6.071 1.00 0.00 C ATOM 354 O VAL A 23 -3.423 -2.617 -6.448 1.00 0.00 O ATOM 355 CB VAL A 23 -0.420 -2.504 -4.935 1.00 0.00 C ATOM 356 CG1 VAL A 23 -0.431 -1.357 -5.941 1.00 0.00 C ATOM 357 CG2 VAL A 23 0.057 -1.976 -3.584 1.00 0.00 C ATOM 0 H VAL A 23 -0.735 -4.561 -3.694 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.420 -2.393 -4.189 1.00 0.00 H new ATOM 0 HB VAL A 23 0.245 -3.277 -5.321 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.577 -0.957 -6.048 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.780 -1.723 -6.907 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.098 -0.570 -5.589 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.050 -1.539 -3.694 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.636 -1.215 -3.225 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.099 -2.796 -2.867 1.00 0.00 H new ATOM 367 N GLN A 24 -2.109 -4.418 -6.762 1.00 0.00 N ATOM 368 CA GLN A 24 -2.610 -4.915 -8.023 1.00 0.00 C ATOM 369 C GLN A 24 -4.125 -5.069 -7.997 1.00 0.00 C ATOM 370 O GLN A 24 -4.818 -4.452 -8.794 1.00 0.00 O ATOM 371 CB GLN A 24 -1.932 -6.269 -8.215 1.00 0.00 C ATOM 372 CG GLN A 24 -2.338 -7.036 -9.460 1.00 0.00 C ATOM 373 CD GLN A 24 -1.937 -8.496 -9.297 1.00 0.00 C ATOM 374 OE1 GLN A 24 -0.754 -8.839 -9.256 1.00 0.00 O ATOM 375 NE2 GLN A 24 -2.922 -9.377 -9.163 1.00 0.00 N ATOM 0 H GLN A 24 -1.344 -4.996 -6.415 1.00 0.00 H new ATOM 0 HA GLN A 24 -2.392 -4.226 -8.839 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.853 -6.114 -8.241 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -2.144 -6.888 -7.343 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -3.414 -6.957 -9.617 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -1.855 -6.609 -10.339 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.893 -9.066 -9.201 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.708 -10.364 -9.022 1.00 0.00 H new ATOM 384 N GLU A 25 -4.644 -5.898 -7.095 1.00 0.00 N ATOM 385 CA GLU A 25 -6.062 -6.198 -7.003 1.00 0.00 C ATOM 386 C GLU A 25 -6.854 -5.022 -6.486 1.00 0.00 C ATOM 387 O GLU A 25 -7.921 -4.726 -7.014 1.00 0.00 O ATOM 388 CB GLU A 25 -6.266 -7.369 -6.050 1.00 0.00 C ATOM 389 CG GLU A 25 -5.489 -8.568 -6.559 1.00 0.00 C ATOM 390 CD GLU A 25 -6.215 -9.169 -7.750 1.00 0.00 C ATOM 391 OE1 GLU A 25 -7.351 -9.642 -7.536 1.00 0.00 O ATOM 392 OE2 GLU A 25 -5.640 -9.112 -8.861 1.00 0.00 O ATOM 0 H GLU A 25 -4.079 -6.385 -6.399 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.414 -6.439 -8.006 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.929 -7.101 -5.048 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.326 -7.612 -5.976 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.482 -8.267 -6.847 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.386 -9.311 -5.768 1.00 0.00 H new ATOM 399 N ALA A 26 -6.336 -4.379 -5.440 1.00 0.00 N ATOM 400 CA ALA A 26 -6.950 -3.181 -4.884 1.00 0.00 C ATOM 401 C ALA A 26 -7.159 -2.176 -6.014 1.00 0.00 C ATOM 402 O ALA A 26 -8.213 -1.559 -6.146 1.00 0.00 O ATOM 403 CB ALA A 26 -6.009 -2.606 -3.835 1.00 0.00 C ATOM 0 H ALA A 26 -5.486 -4.673 -4.960 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.911 -3.408 -4.423 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.450 -1.707 -3.405 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.847 -3.343 -3.048 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.055 -2.356 -4.300 1.00 0.00 H new ATOM 409 N ASN A 27 -6.122 -2.051 -6.839 1.00 0.00 N ATOM 410 CA ASN A 27 -6.073 -1.237 -8.031 1.00 0.00 C ATOM 411 C ASN A 27 -7.046 -1.721 -9.082 1.00 0.00 C ATOM 412 O ASN A 27 -7.715 -0.920 -9.728 1.00 0.00 O ATOM 413 CB ASN A 27 -4.710 -1.455 -8.660 1.00 0.00 C ATOM 414 CG ASN A 27 -3.863 -0.197 -8.563 1.00 0.00 C ATOM 415 OD1 ASN A 27 -2.769 -0.283 -7.815 1.00 0.00 O flip ATOM 416 ND2 ASN A 27 -4.209 0.839 -9.121 1.00 0.00 N flip ATOM 0 H ASN A 27 -5.247 -2.548 -6.675 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.294 -0.208 -7.746 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -4.202 -2.280 -8.161 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -4.828 -1.739 -9.706 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -5.058 0.855 -9.686 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -3.647 1.684 -9.020 1.00 0.00 H new ATOM 423 N ARG A 28 -7.064 -3.045 -9.251 1.00 0.00 N ATOM 424 CA ARG A 28 -7.737 -3.840 -10.265 1.00 0.00 C ATOM 425 C ARG A 28 -9.248 -3.688 -10.432 1.00 0.00 C ATOM 426 O ARG A 28 -9.886 -4.604 -10.947 1.00 0.00 O ATOM 427 CB ARG A 28 -7.440 -5.295 -9.942 1.00 0.00 C ATOM 428 CG ARG A 28 -6.371 -5.840 -10.878 1.00 0.00 C ATOM 429 CD ARG A 28 -6.561 -7.353 -10.938 1.00 0.00 C ATOM 430 NE ARG A 28 -7.953 -7.676 -11.269 1.00 0.00 N ATOM 431 CZ ARG A 28 -8.517 -8.873 -11.070 1.00 0.00 C ATOM 432 NH1 ARG A 28 -7.799 -9.874 -10.551 1.00 0.00 N ATOM 433 NH2 ARG A 28 -9.803 -9.056 -11.387 1.00 0.00 N ATOM 0 H ARG A 28 -6.549 -3.646 -8.607 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.345 -3.472 -11.213 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.106 -5.384 -8.908 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.350 -5.888 -10.035 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.466 -5.400 -11.870 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.375 -5.590 -10.513 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.893 -7.781 -11.685 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.295 -7.799 -9.980 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.529 -6.940 -11.678 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.820 -9.726 -10.306 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.230 -10.786 -10.400 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.347 -8.286 -11.777 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.240 -9.965 -11.238 1.00 0.00 H new ATOM 447 N PHE A 29 -9.834 -2.561 -10.039 1.00 0.00 N ATOM 448 CA PHE A 29 -11.240 -2.317 -10.223 1.00 0.00 C ATOM 449 C PHE A 29 -11.423 -0.890 -10.725 1.00 0.00 C ATOM 450 O PHE A 29 -11.520 -0.657 -11.926 1.00 0.00 O ATOM 451 CB PHE A 29 -11.959 -2.573 -8.902 1.00 0.00 C ATOM 452 CG PHE A 29 -12.252 -4.029 -8.658 1.00 0.00 C ATOM 453 CD1 PHE A 29 -12.721 -4.831 -9.712 1.00 0.00 C ATOM 454 CD2 PHE A 29 -12.096 -4.575 -7.375 1.00 0.00 C ATOM 455 CE1 PHE A 29 -13.034 -6.183 -9.483 1.00 0.00 C ATOM 456 CE2 PHE A 29 -12.422 -5.919 -7.142 1.00 0.00 C ATOM 457 CZ PHE A 29 -12.883 -6.726 -8.197 1.00 0.00 C ATOM 0 H PHE A 29 -9.336 -1.796 -9.584 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.672 -2.987 -10.966 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -11.349 -2.190 -8.084 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -12.895 -2.014 -8.891 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.841 -4.409 -10.699 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -11.725 -3.961 -6.568 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.389 -6.802 -10.294 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -12.319 -6.335 -6.151 1.00 0.00 H new ATOM 0 HZ PHE A 29 -13.121 -7.764 -8.018 1.00 0.00 H new ATOM 467 N THR A 30 -11.493 0.057 -9.792 1.00 0.00 N ATOM 468 CA THR A 30 -11.683 1.475 -10.064 1.00 0.00 C ATOM 469 C THR A 30 -11.260 2.240 -8.815 1.00 0.00 C ATOM 470 O THR A 30 -10.370 3.084 -8.829 1.00 0.00 O ATOM 471 CB THR A 30 -13.170 1.734 -10.344 1.00 0.00 C ATOM 472 OG1 THR A 30 -13.965 0.985 -9.440 1.00 0.00 O ATOM 473 CG2 THR A 30 -13.544 1.358 -11.775 1.00 0.00 C ATOM 0 H THR A 30 -11.416 -0.150 -8.796 1.00 0.00 H new ATOM 0 HA THR A 30 -11.096 1.792 -10.926 1.00 0.00 H new ATOM 0 HB THR A 30 -13.354 2.800 -10.211 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.044 0.062 -9.761 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.604 1.554 -11.938 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.954 1.951 -12.473 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.342 0.299 -11.938 1.00 0.00 H new ATOM 481 N SER A 31 -11.961 1.886 -7.743 1.00 0.00 N ATOM 482 CA SER A 31 -11.898 2.332 -6.373 1.00 0.00 C ATOM 483 C SER A 31 -10.571 2.884 -5.874 1.00 0.00 C ATOM 484 O SER A 31 -9.512 2.281 -6.032 1.00 0.00 O ATOM 485 CB SER A 31 -12.264 1.122 -5.522 1.00 0.00 C ATOM 486 OG SER A 31 -13.300 0.401 -6.161 1.00 0.00 O ATOM 0 H SER A 31 -12.688 1.177 -7.841 1.00 0.00 H new ATOM 0 HA SER A 31 -12.575 3.183 -6.300 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.392 0.483 -5.383 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.585 1.443 -4.531 1.00 0.00 H new ATOM 0 HG SER A 31 -12.994 -0.510 -6.354 1.00 0.00 H new ATOM 492 N ASP A 32 -10.687 4.000 -5.158 1.00 0.00 N ATOM 493 CA ASP A 32 -9.605 4.615 -4.422 1.00 0.00 C ATOM 494 C ASP A 32 -9.434 3.729 -3.201 1.00 0.00 C ATOM 495 O ASP A 32 -10.201 3.825 -2.248 1.00 0.00 O ATOM 496 CB ASP A 32 -10.064 6.009 -4.033 1.00 0.00 C ATOM 497 CG ASP A 32 -9.009 6.802 -3.288 1.00 0.00 C ATOM 498 OD1 ASP A 32 -7.819 6.542 -3.556 1.00 0.00 O ATOM 499 OD2 ASP A 32 -9.418 7.665 -2.482 1.00 0.00 O ATOM 0 H ASP A 32 -11.566 4.510 -5.077 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.669 4.706 -4.972 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.350 6.554 -4.933 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.956 5.930 -3.411 1.00 0.00 H new ATOM 504 N VAL A 33 -8.521 2.776 -3.290 1.00 0.00 N ATOM 505 CA VAL A 33 -8.385 1.754 -2.266 1.00 0.00 C ATOM 506 C VAL A 33 -7.336 2.097 -1.216 1.00 0.00 C ATOM 507 O VAL A 33 -6.425 2.888 -1.455 1.00 0.00 O ATOM 508 CB VAL A 33 -8.134 0.406 -2.932 1.00 0.00 C ATOM 509 CG1 VAL A 33 -9.241 0.170 -3.964 1.00 0.00 C ATOM 510 CG2 VAL A 33 -6.754 0.410 -3.584 1.00 0.00 C ATOM 0 H VAL A 33 -7.861 2.689 -4.063 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.320 1.700 -1.709 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.152 -0.402 -2.200 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -9.082 -0.790 -4.455 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -10.210 0.167 -3.464 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -9.220 0.966 -4.709 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.574 -0.554 -4.060 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.708 1.200 -4.334 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.993 0.587 -2.824 1.00 0.00 H new ATOM 520 N PHE A 34 -7.448 1.470 -0.047 1.00 0.00 N ATOM 521 CA PHE A 34 -6.573 1.750 1.076 1.00 0.00 C ATOM 522 C PHE A 34 -6.217 0.503 1.871 1.00 0.00 C ATOM 523 O PHE A 34 -6.721 -0.586 1.618 1.00 0.00 O ATOM 524 CB PHE A 34 -7.210 2.785 2.012 1.00 0.00 C ATOM 525 CG PHE A 34 -7.584 4.099 1.364 1.00 0.00 C ATOM 526 CD1 PHE A 34 -8.774 4.211 0.628 1.00 0.00 C ATOM 527 CD2 PHE A 34 -6.712 5.199 1.452 1.00 0.00 C ATOM 528 CE1 PHE A 34 -9.065 5.402 -0.057 1.00 0.00 C ATOM 529 CE2 PHE A 34 -7.023 6.405 0.801 1.00 0.00 C ATOM 530 CZ PHE A 34 -8.194 6.503 0.036 1.00 0.00 C ATOM 0 H PHE A 34 -8.150 0.754 0.143 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.650 2.148 0.654 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.106 2.348 2.453 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.518 2.986 2.829 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -9.465 3.382 0.589 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.799 5.116 2.023 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -9.960 5.473 -0.657 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -6.362 7.254 0.890 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.427 7.422 -0.481 1.00 0.00 H new ATOM 540 N LEU A 35 -5.308 0.676 2.818 1.00 0.00 N ATOM 541 CA LEU A 35 -4.928 -0.305 3.802 1.00 0.00 C ATOM 542 C LEU A 35 -4.700 0.511 5.062 1.00 0.00 C ATOM 543 O LEU A 35 -4.060 1.559 4.991 1.00 0.00 O ATOM 544 CB LEU A 35 -3.677 -1.065 3.371 1.00 0.00 C ATOM 545 CG LEU A 35 -3.413 -2.174 4.385 1.00 0.00 C ATOM 546 CD1 LEU A 35 -4.640 -3.079 4.469 1.00 0.00 C ATOM 547 CD2 LEU A 35 -2.207 -3.000 3.949 1.00 0.00 C ATOM 0 H LEU A 35 -4.794 1.551 2.919 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.684 -1.076 3.947 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.814 -1.487 2.375 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.823 -0.390 3.317 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.211 -1.731 5.360 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.457 -3.874 5.192 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.503 -2.493 4.784 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.837 -3.517 3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.024 -3.790 4.678 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.404 -3.445 2.974 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.330 -2.357 3.884 1.00 0.00 H new ATOM 559 N GLU A 36 -5.278 0.101 6.185 1.00 0.00 N ATOM 560 CA GLU A 36 -5.216 0.918 7.380 1.00 0.00 C ATOM 561 C GLU A 36 -4.677 0.122 8.560 1.00 0.00 C ATOM 562 O GLU A 36 -5.432 -0.639 9.165 1.00 0.00 O ATOM 563 CB GLU A 36 -6.607 1.472 7.695 1.00 0.00 C ATOM 564 CG GLU A 36 -7.575 1.414 6.507 1.00 0.00 C ATOM 565 CD GLU A 36 -8.976 1.814 6.948 1.00 0.00 C ATOM 566 OE1 GLU A 36 -9.257 3.032 6.946 1.00 0.00 O ATOM 567 OE2 GLU A 36 -9.742 0.892 7.293 1.00 0.00 O ATOM 0 H GLU A 36 -5.786 -0.778 6.288 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.532 1.747 7.201 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.032 0.911 8.527 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.511 2.507 8.024 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.231 2.080 5.716 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.591 0.407 6.091 1.00 0.00 H new ATOM 574 N LYS A 37 -3.405 0.318 8.906 1.00 0.00 N ATOM 575 CA LYS A 37 -2.715 -0.378 9.985 1.00 0.00 C ATOM 576 C LYS A 37 -3.434 -0.140 11.299 1.00 0.00 C ATOM 577 O LYS A 37 -3.223 0.892 11.933 1.00 0.00 O ATOM 578 CB LYS A 37 -1.281 0.133 10.058 1.00 0.00 C ATOM 579 CG LYS A 37 -0.464 -0.344 8.862 1.00 0.00 C ATOM 580 CD LYS A 37 0.380 -1.553 9.261 1.00 0.00 C ATOM 581 CE LYS A 37 1.137 -1.281 10.563 1.00 0.00 C ATOM 582 NZ LYS A 37 2.113 -0.190 10.404 1.00 0.00 N ATOM 0 H LYS A 37 -2.808 0.990 8.424 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.708 -1.451 9.792 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.282 1.223 10.090 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.815 -0.213 10.981 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.128 -0.608 8.039 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.181 0.460 8.507 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.262 -2.426 9.384 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.088 -1.787 8.466 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.428 -1.024 11.350 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.652 -2.187 10.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.571 0.002 11.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.833 -0.467 9.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.625 0.667 10.075 1.00 0.00 H new ATOM 596 N ASP A 38 -4.324 -1.060 11.676 1.00 0.00 N ATOM 597 CA ASP A 38 -5.182 -0.913 12.840 1.00 0.00 C ATOM 598 C ASP A 38 -5.917 0.427 12.764 1.00 0.00 C ATOM 599 O ASP A 38 -6.183 1.052 13.787 1.00 0.00 O ATOM 600 CB ASP A 38 -4.354 -1.013 14.120 1.00 0.00 C ATOM 601 CG ASP A 38 -3.592 -2.328 14.199 1.00 0.00 C ATOM 602 OD1 ASP A 38 -4.250 -3.357 14.460 1.00 0.00 O ATOM 603 OD2 ASP A 38 -2.361 -2.284 13.982 1.00 0.00 O ATOM 0 H ASP A 38 -4.466 -1.935 11.172 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.920 -1.715 12.854 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.650 -0.182 14.163 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.010 -0.921 14.985 1.00 0.00 H new ATOM 608 N GLY A 39 -6.224 0.890 11.548 1.00 0.00 N ATOM 609 CA GLY A 39 -6.847 2.190 11.390 1.00 0.00 C ATOM 610 C GLY A 39 -5.962 3.173 10.618 1.00 0.00 C ATOM 611 O GLY A 39 -6.469 4.130 10.035 1.00 0.00 O ATOM 0 H GLY A 39 -6.051 0.387 10.677 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.797 2.073 10.868 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.072 2.603 12.373 1.00 0.00 H new ATOM 615 N LYS A 40 -4.646 2.945 10.571 1.00 0.00 N ATOM 616 CA LYS A 40 -3.714 3.823 9.885 1.00 0.00 C ATOM 617 C LYS A 40 -3.843 3.596 8.385 1.00 0.00 C ATOM 618 O LYS A 40 -3.037 2.877 7.794 1.00 0.00 O ATOM 619 CB LYS A 40 -2.296 3.519 10.375 1.00 0.00 C ATOM 620 CG LYS A 40 -2.238 3.587 11.899 1.00 0.00 C ATOM 621 CD LYS A 40 -2.763 4.941 12.369 1.00 0.00 C ATOM 622 CE LYS A 40 -2.953 4.933 13.883 1.00 0.00 C ATOM 623 NZ LYS A 40 -1.684 4.679 14.584 1.00 0.00 N ATOM 0 H LYS A 40 -4.202 2.140 11.013 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.934 4.869 10.097 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.991 2.529 10.036 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.594 4.233 9.945 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.834 2.784 12.332 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.213 3.444 12.241 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.064 5.729 12.087 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.710 5.163 11.877 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.362 5.891 14.205 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.680 4.168 14.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.810 4.847 15.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.393 3.693 14.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.950 5.318 14.217 1.00 0.00 H new ATOM 637 N LYS A 41 -4.902 4.141 7.791 1.00 0.00 N ATOM 638 CA LYS A 41 -5.178 3.888 6.394 1.00 0.00 C ATOM 639 C LYS A 41 -4.388 4.760 5.432 1.00 0.00 C ATOM 640 O LYS A 41 -4.054 5.907 5.721 1.00 0.00 O ATOM 641 CB LYS A 41 -6.680 3.935 6.126 1.00 0.00 C ATOM 642 CG LYS A 41 -7.114 4.973 5.107 1.00 0.00 C ATOM 643 CD LYS A 41 -6.977 6.357 5.737 1.00 0.00 C ATOM 644 CE LYS A 41 -7.005 7.450 4.672 1.00 0.00 C ATOM 645 NZ LYS A 41 -5.797 7.384 3.833 1.00 0.00 N ATOM 0 H LYS A 41 -5.572 4.753 8.256 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.824 2.878 6.190 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.004 2.952 5.783 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.196 4.131 7.066 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.499 4.903 4.210 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.145 4.796 4.802 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.787 6.518 6.449 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.044 6.414 6.297 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.893 7.337 4.050 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.071 8.428 5.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.550 8.339 3.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.009 6.994 4.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.978 6.772 3.012 1.00 0.00 H new ATOM 659 N VAL A 42 -4.170 4.195 4.249 1.00 0.00 N ATOM 660 CA VAL A 42 -3.382 4.765 3.170 1.00 0.00 C ATOM 661 C VAL A 42 -3.771 4.119 1.860 1.00 0.00 C ATOM 662 O VAL A 42 -4.309 3.018 1.882 1.00 0.00 O ATOM 663 CB VAL A 42 -1.915 4.453 3.437 1.00 0.00 C ATOM 664 CG1 VAL A 42 -1.514 5.028 4.782 1.00 0.00 C ATOM 665 CG2 VAL A 42 -1.747 2.938 3.513 1.00 0.00 C ATOM 0 H VAL A 42 -4.558 3.283 4.008 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.553 5.840 3.116 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.301 4.879 2.643 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.464 4.806 4.974 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.660 6.108 4.774 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.129 4.584 5.565 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.701 2.697 3.704 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.364 2.544 4.321 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.056 2.490 2.569 1.00 0.00 H new ATOM 675 N ASN A 43 -3.533 4.794 0.733 1.00 0.00 N ATOM 676 CA ASN A 43 -3.833 4.267 -0.577 1.00 0.00 C ATOM 677 C ASN A 43 -3.197 2.919 -0.804 1.00 0.00 C ATOM 678 O ASN A 43 -2.023 2.839 -1.146 1.00 0.00 O ATOM 679 CB ASN A 43 -3.323 5.237 -1.628 1.00 0.00 C ATOM 680 CG ASN A 43 -4.384 5.320 -2.690 1.00 0.00 C ATOM 681 OD1 ASN A 43 -4.220 4.803 -3.792 1.00 0.00 O ATOM 682 ND2 ASN A 43 -5.481 5.955 -2.306 1.00 0.00 N ATOM 0 H ASN A 43 -3.123 5.728 0.716 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.914 4.144 -0.649 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.135 6.218 -1.191 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.380 4.890 -2.050 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.271 6.042 -2.946 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.536 6.357 -1.370 1.00 0.00 H new ATOM 689 N ALA A 44 -4.012 1.885 -0.661 1.00 0.00 N ATOM 690 CA ALA A 44 -3.641 0.489 -0.795 1.00 0.00 C ATOM 691 C ALA A 44 -2.940 0.235 -2.115 1.00 0.00 C ATOM 692 O ALA A 44 -1.972 -0.515 -2.189 1.00 0.00 O ATOM 693 CB ALA A 44 -4.894 -0.376 -0.751 1.00 0.00 C ATOM 0 H ALA A 44 -5.000 2.006 -0.437 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.967 0.241 0.025 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.616 -1.425 -0.852 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.406 -0.226 0.199 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.558 -0.097 -1.569 1.00 0.00 H new ATOM 699 N LYS A 45 -3.462 0.868 -3.163 1.00 0.00 N ATOM 700 CA LYS A 45 -2.929 0.722 -4.503 1.00 0.00 C ATOM 701 C LYS A 45 -1.701 1.608 -4.736 1.00 0.00 C ATOM 702 O LYS A 45 -1.021 1.456 -5.749 1.00 0.00 O ATOM 703 CB LYS A 45 -4.037 1.009 -5.512 1.00 0.00 C ATOM 704 CG LYS A 45 -4.759 2.321 -5.214 1.00 0.00 C ATOM 705 CD LYS A 45 -5.539 2.725 -6.457 1.00 0.00 C ATOM 706 CE LYS A 45 -6.668 1.731 -6.737 1.00 0.00 C ATOM 707 NZ LYS A 45 -7.131 1.836 -8.131 1.00 0.00 N ATOM 0 H LYS A 45 -4.265 1.494 -3.101 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.583 -0.303 -4.634 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.612 1.049 -6.515 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.756 0.190 -5.503 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.432 2.201 -4.365 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.042 3.097 -4.945 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.953 3.724 -6.323 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.867 2.771 -7.314 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.321 0.717 -6.541 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.500 1.920 -6.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.479 0.910 -8.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.900 2.534 -8.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.342 2.138 -8.737 1.00 0.00 H new ATOM 721 N SER A 46 -1.437 2.549 -3.828 1.00 0.00 N ATOM 722 CA SER A 46 -0.275 3.414 -3.890 1.00 0.00 C ATOM 723 C SER A 46 0.835 2.974 -2.928 1.00 0.00 C ATOM 724 O SER A 46 0.678 2.067 -2.108 1.00 0.00 O ATOM 725 CB SER A 46 -0.694 4.849 -3.585 1.00 0.00 C ATOM 726 OG SER A 46 -1.626 5.307 -4.545 1.00 0.00 O ATOM 0 H SER A 46 -2.036 2.728 -3.022 1.00 0.00 H new ATOM 0 HA SER A 46 0.133 3.348 -4.899 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.133 4.902 -2.589 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.182 5.497 -3.582 1.00 0.00 H new ATOM 0 HG SER A 46 -2.524 4.996 -4.304 1.00 0.00 H new ATOM 732 N ILE A 47 1.964 3.683 -3.018 1.00 0.00 N ATOM 733 CA ILE A 47 3.157 3.451 -2.216 1.00 0.00 C ATOM 734 C ILE A 47 2.869 3.394 -0.723 1.00 0.00 C ATOM 735 O ILE A 47 3.267 2.456 -0.047 1.00 0.00 O ATOM 736 CB ILE A 47 4.191 4.548 -2.499 1.00 0.00 C ATOM 737 CG1 ILE A 47 5.517 4.152 -1.842 1.00 0.00 C ATOM 738 CG2 ILE A 47 3.688 5.906 -1.979 1.00 0.00 C ATOM 739 CD1 ILE A 47 5.579 4.584 -0.377 1.00 0.00 C ATOM 0 H ILE A 47 2.071 4.457 -3.673 1.00 0.00 H new ATOM 0 HA ILE A 47 3.547 2.474 -2.503 1.00 0.00 H new ATOM 0 HB ILE A 47 4.344 4.651 -3.573 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.646 3.072 -1.908 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.343 4.606 -2.390 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.433 6.674 -2.187 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.753 6.163 -2.477 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.521 5.845 -0.904 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.536 4.284 0.051 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.477 5.667 -0.312 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.769 4.109 0.177 1.00 0.00 H new ATOM 751 N MET A 48 2.207 4.407 -0.178 1.00 0.00 N ATOM 752 CA MET A 48 2.012 4.434 1.250 1.00 0.00 C ATOM 753 C MET A 48 1.077 3.316 1.689 1.00 0.00 C ATOM 754 O MET A 48 1.179 2.837 2.818 1.00 0.00 O ATOM 755 CB MET A 48 1.545 5.826 1.656 1.00 0.00 C ATOM 756 CG MET A 48 1.233 5.876 3.151 1.00 0.00 C ATOM 757 SD MET A 48 0.658 7.480 3.744 1.00 0.00 S ATOM 758 CE MET A 48 2.086 8.476 3.282 1.00 0.00 C ATOM 0 H MET A 48 1.810 5.194 -0.691 1.00 0.00 H new ATOM 0 HA MET A 48 2.950 4.242 1.770 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.316 6.558 1.416 1.00 0.00 H new ATOM 0 HB3 MET A 48 0.657 6.098 1.085 1.00 0.00 H new ATOM 0 HG2 MET A 48 0.474 5.127 3.376 1.00 0.00 H new ATOM 0 HG3 MET A 48 2.129 5.598 3.706 1.00 0.00 H new ATOM 0 HE1 MET A 48 2.060 9.422 3.823 1.00 0.00 H new ATOM 0 HE2 MET A 48 3.001 7.939 3.533 1.00 0.00 H new ATOM 0 HE3 MET A 48 2.062 8.671 2.210 1.00 0.00 H new ATOM 768 N GLY A 49 0.188 2.876 0.800 1.00 0.00 N ATOM 769 CA GLY A 49 -0.668 1.756 1.088 1.00 0.00 C ATOM 770 C GLY A 49 0.197 0.518 1.186 1.00 0.00 C ATOM 771 O GLY A 49 0.227 -0.088 2.247 1.00 0.00 O ATOM 0 H GLY A 49 0.051 3.287 -0.123 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.207 1.919 2.021 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.416 1.637 0.304 1.00 0.00 H new ATOM 775 N LEU A 50 0.912 0.157 0.120 1.00 0.00 N ATOM 776 CA LEU A 50 1.764 -1.010 0.100 1.00 0.00 C ATOM 777 C LEU A 50 3.028 -0.873 0.927 1.00 0.00 C ATOM 778 O LEU A 50 3.218 -1.543 1.936 1.00 0.00 O ATOM 779 CB LEU A 50 2.210 -1.210 -1.337 1.00 0.00 C ATOM 780 CG LEU A 50 2.047 -2.669 -1.737 1.00 0.00 C ATOM 781 CD1 LEU A 50 3.234 -3.436 -1.192 1.00 0.00 C ATOM 782 CD2 LEU A 50 0.773 -3.256 -1.141 1.00 0.00 C ATOM 0 H LEU A 50 0.909 0.678 -0.757 1.00 0.00 H new ATOM 0 HA LEU A 50 1.186 -1.834 0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.622 -0.575 -2.000 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.252 -0.909 -1.448 1.00 0.00 H new ATOM 0 HG LEU A 50 1.988 -2.741 -2.823 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.144 -4.488 -1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.154 -3.030 -1.613 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.260 -3.343 -0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.678 -4.300 -1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.818 -3.193 -0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.089 -2.695 -1.502 1.00 0.00 H new ATOM 794 N MET A 51 3.921 -0.028 0.423 1.00 0.00 N ATOM 795 CA MET A 51 5.255 0.153 0.935 1.00 0.00 C ATOM 796 C MET A 51 5.225 0.699 2.355 1.00 0.00 C ATOM 797 O MET A 51 6.096 0.380 3.158 1.00 0.00 O ATOM 798 CB MET A 51 6.028 1.117 0.029 1.00 0.00 C ATOM 799 CG MET A 51 7.494 1.122 0.460 1.00 0.00 C ATOM 800 SD MET A 51 8.186 2.766 0.737 1.00 0.00 S ATOM 801 CE MET A 51 7.099 3.299 2.077 1.00 0.00 C ATOM 0 H MET A 51 3.719 0.566 -0.381 1.00 0.00 H new ATOM 0 HA MET A 51 5.752 -0.817 0.950 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.941 0.809 -1.013 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.609 2.121 0.100 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.592 0.541 1.377 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.086 0.616 -0.303 1.00 0.00 H new ATOM 0 HE1 MET A 51 7.350 4.320 2.365 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.063 3.261 1.742 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.227 2.638 2.934 1.00 0.00 H new ATOM 811 N SER A 52 4.274 1.588 2.639 1.00 0.00 N ATOM 812 CA SER A 52 4.228 2.172 3.968 1.00 0.00 C ATOM 813 C SER A 52 3.535 1.270 4.987 1.00 0.00 C ATOM 814 O SER A 52 4.178 0.701 5.864 1.00 0.00 O ATOM 815 CB SER A 52 3.611 3.566 3.935 1.00 0.00 C ATOM 816 OG SER A 52 4.289 4.383 3.002 1.00 0.00 O ATOM 0 H SER A 52 3.553 1.907 1.992 1.00 0.00 H new ATOM 0 HA SER A 52 5.260 2.270 4.304 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.556 3.498 3.669 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.661 4.016 4.926 1.00 0.00 H new ATOM 0 HG SER A 52 4.248 5.317 3.295 1.00 0.00 H new ATOM 822 N LEU A 53 2.209 1.174 4.907 1.00 0.00 N ATOM 823 CA LEU A 53 1.423 0.469 5.908 1.00 0.00 C ATOM 824 C LEU A 53 1.443 -1.036 5.690 1.00 0.00 C ATOM 825 O LEU A 53 1.827 -1.800 6.578 1.00 0.00 O ATOM 826 CB LEU A 53 -0.006 0.976 5.881 1.00 0.00 C ATOM 827 CG LEU A 53 -0.062 2.374 6.489 1.00 0.00 C ATOM 828 CD1 LEU A 53 0.606 2.410 7.863 1.00 0.00 C ATOM 829 CD2 LEU A 53 0.621 3.387 5.577 1.00 0.00 C ATOM 0 H LEU A 53 1.657 1.580 4.152 1.00 0.00 H new ATOM 0 HA LEU A 53 1.869 0.665 6.883 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.376 0.999 4.856 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.654 0.299 6.438 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.114 2.635 6.600 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.549 3.420 8.269 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.095 1.720 8.534 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.651 2.116 7.767 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.569 4.377 6.030 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.665 3.106 5.438 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.118 3.404 4.610 1.00 0.00 H new ATOM 841 N ALA A 54 0.995 -1.433 4.497 1.00 0.00 N ATOM 842 CA ALA A 54 0.868 -2.795 4.013 1.00 0.00 C ATOM 843 C ALA A 54 2.108 -3.623 4.321 1.00 0.00 C ATOM 844 O ALA A 54 2.004 -4.786 4.690 1.00 0.00 O ATOM 845 CB ALA A 54 0.584 -2.747 2.511 1.00 0.00 C ATOM 0 H ALA A 54 0.691 -0.755 3.798 1.00 0.00 H new ATOM 0 HA ALA A 54 0.042 -3.286 4.527 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.485 -3.762 2.127 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.342 -2.200 2.333 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.406 -2.245 2.001 1.00 0.00 H new ATOM 851 N VAL A 55 3.284 -3.017 4.212 1.00 0.00 N ATOM 852 CA VAL A 55 4.531 -3.714 4.466 1.00 0.00 C ATOM 853 C VAL A 55 4.699 -4.184 5.918 1.00 0.00 C ATOM 854 O VAL A 55 5.642 -4.902 6.247 1.00 0.00 O ATOM 855 CB VAL A 55 5.701 -2.853 3.988 1.00 0.00 C ATOM 856 CG1 VAL A 55 6.041 -1.785 5.025 1.00 0.00 C ATOM 857 CG2 VAL A 55 6.919 -3.741 3.749 1.00 0.00 C ATOM 0 H VAL A 55 3.396 -2.038 3.948 1.00 0.00 H new ATOM 0 HA VAL A 55 4.512 -4.640 3.891 1.00 0.00 H new ATOM 0 HB VAL A 55 5.417 -2.358 3.060 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.876 -1.183 4.667 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.174 -1.144 5.185 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.316 -2.265 5.964 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.754 -3.129 3.408 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.192 -4.242 4.678 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.682 -4.487 2.990 1.00 0.00 H new ATOM 867 N SER A 56 3.789 -3.816 6.817 1.00 0.00 N ATOM 868 CA SER A 56 3.917 -4.235 8.194 1.00 0.00 C ATOM 869 C SER A 56 3.321 -5.623 8.409 1.00 0.00 C ATOM 870 O SER A 56 2.305 -5.752 9.096 1.00 0.00 O ATOM 871 CB SER A 56 3.269 -3.192 9.104 1.00 0.00 C ATOM 872 OG SER A 56 3.639 -1.885 8.697 1.00 0.00 O ATOM 0 H SER A 56 2.973 -3.239 6.614 1.00 0.00 H new ATOM 0 HA SER A 56 4.975 -4.308 8.448 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.184 -3.296 9.073 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.576 -3.359 10.136 1.00 0.00 H new ATOM 0 HG SER A 56 3.140 -1.640 7.890 1.00 0.00 H new ATOM 878 N THR A 57 3.938 -6.651 7.818 1.00 0.00 N ATOM 879 CA THR A 57 3.569 -8.049 7.995 1.00 0.00 C ATOM 880 C THR A 57 3.219 -8.341 9.458 1.00 0.00 C ATOM 881 O THR A 57 4.011 -8.079 10.360 1.00 0.00 O ATOM 882 CB THR A 57 4.726 -8.936 7.528 1.00 0.00 C ATOM 883 OG1 THR A 57 5.490 -8.269 6.541 1.00 0.00 O ATOM 884 CG2 THR A 57 4.150 -10.210 6.923 1.00 0.00 C ATOM 0 H THR A 57 4.729 -6.524 7.187 1.00 0.00 H new ATOM 0 HA THR A 57 2.684 -8.264 7.396 1.00 0.00 H new ATOM 0 HB THR A 57 5.366 -9.167 8.379 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.312 -8.773 6.368 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.963 -10.852 6.585 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.560 -10.735 7.674 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.514 -9.955 6.076 1.00 0.00 H new ATOM 892 N GLY A 58 2.008 -8.843 9.696 1.00 0.00 N ATOM 893 CA GLY A 58 1.518 -9.130 11.030 1.00 0.00 C ATOM 894 C GLY A 58 0.550 -8.060 11.544 1.00 0.00 C ATOM 895 O GLY A 58 -0.139 -8.293 12.532 1.00 0.00 O ATOM 0 H GLY A 58 1.339 -9.061 8.958 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.017 -10.098 11.029 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.363 -9.210 11.714 1.00 0.00 H new ATOM 899 N THR A 59 0.450 -6.900 10.890 1.00 0.00 N ATOM 900 CA THR A 59 -0.436 -5.856 11.382 1.00 0.00 C ATOM 901 C THR A 59 -1.851 -6.093 10.873 1.00 0.00 C ATOM 902 O THR A 59 -2.029 -6.469 9.716 1.00 0.00 O ATOM 903 CB THR A 59 0.031 -4.473 10.917 1.00 0.00 C ATOM 904 OG1 THR A 59 1.405 -4.287 11.183 1.00 0.00 O ATOM 905 CG2 THR A 59 -0.761 -3.390 11.644 1.00 0.00 C ATOM 0 H THR A 59 0.961 -6.668 10.038 1.00 0.00 H new ATOM 0 HA THR A 59 -0.418 -5.889 12.471 1.00 0.00 H new ATOM 0 HB THR A 59 -0.135 -4.405 9.842 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.933 -4.874 10.602 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.426 -2.408 11.310 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.822 -3.505 11.423 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.602 -3.482 12.718 1.00 0.00 H new ATOM 913 N GLU A 60 -2.863 -5.865 11.711 1.00 0.00 N ATOM 914 CA GLU A 60 -4.232 -5.965 11.247 1.00 0.00 C ATOM 915 C GLU A 60 -4.598 -4.649 10.568 1.00 0.00 C ATOM 916 O GLU A 60 -5.062 -3.698 11.194 1.00 0.00 O ATOM 917 CB GLU A 60 -5.154 -6.297 12.411 1.00 0.00 C ATOM 918 CG GLU A 60 -4.547 -7.450 13.210 1.00 0.00 C ATOM 919 CD GLU A 60 -4.623 -8.761 12.443 1.00 0.00 C ATOM 920 OE1 GLU A 60 -5.632 -8.955 11.732 1.00 0.00 O ATOM 921 OE2 GLU A 60 -3.663 -9.548 12.580 1.00 0.00 O ATOM 0 H GLU A 60 -2.757 -5.615 12.694 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.344 -6.772 10.523 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.284 -5.423 13.050 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.142 -6.573 12.042 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.507 -7.224 13.444 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.072 -7.552 14.160 1.00 0.00 H new ATOM 928 N VAL A 61 -4.317 -4.570 9.277 1.00 0.00 N ATOM 929 CA VAL A 61 -4.602 -3.399 8.481 1.00 0.00 C ATOM 930 C VAL A 61 -5.909 -3.617 7.727 1.00 0.00 C ATOM 931 O VAL A 61 -6.185 -4.699 7.210 1.00 0.00 O ATOM 932 CB VAL A 61 -3.421 -3.100 7.561 1.00 0.00 C ATOM 933 CG1 VAL A 61 -2.175 -2.815 8.385 1.00 0.00 C ATOM 934 CG2 VAL A 61 -3.083 -4.324 6.733 1.00 0.00 C ATOM 0 H VAL A 61 -3.880 -5.328 8.752 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.734 -2.521 9.114 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.701 -2.250 6.938 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.339 -2.603 7.719 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.354 -1.954 9.029 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.938 -3.684 8.999 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.239 -4.100 6.080 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.821 -5.150 7.394 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.946 -4.604 6.128 1.00 0.00 H new ATOM 944 N THR A 62 -6.740 -2.583 7.687 1.00 0.00 N ATOM 945 CA THR A 62 -8.037 -2.675 7.053 1.00 0.00 C ATOM 946 C THR A 62 -7.909 -2.404 5.561 1.00 0.00 C ATOM 947 O THR A 62 -7.384 -1.365 5.162 1.00 0.00 O ATOM 948 CB THR A 62 -9.004 -1.710 7.737 1.00 0.00 C ATOM 949 OG1 THR A 62 -8.868 -1.781 9.142 1.00 0.00 O ATOM 950 CG2 THR A 62 -10.445 -2.072 7.393 1.00 0.00 C ATOM 0 H THR A 62 -6.532 -1.669 8.090 1.00 0.00 H new ATOM 0 HA THR A 62 -8.438 -3.683 7.162 1.00 0.00 H new ATOM 0 HB THR A 62 -8.768 -0.705 7.386 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.494 -1.155 9.563 1.00 0.00 H new ATOM 0 HG21 THR A 62 -11.123 -1.376 7.887 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.587 -2.013 6.314 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.656 -3.086 7.732 1.00 0.00 H new ATOM 958 N LEU A 63 -8.356 -3.351 4.741 1.00 0.00 N ATOM 959 CA LEU A 63 -8.321 -3.235 3.302 1.00 0.00 C ATOM 960 C LEU A 63 -9.544 -2.485 2.817 1.00 0.00 C ATOM 961 O LEU A 63 -10.668 -2.953 2.981 1.00 0.00 O ATOM 962 CB LEU A 63 -8.304 -4.626 2.695 1.00 0.00 C ATOM 963 CG LEU A 63 -7.313 -4.667 1.544 1.00 0.00 C ATOM 964 CD1 LEU A 63 -7.550 -3.503 0.582 1.00 0.00 C ATOM 965 CD2 LEU A 63 -5.909 -4.629 2.131 1.00 0.00 C ATOM 0 H LEU A 63 -8.757 -4.229 5.070 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.427 -2.689 3.001 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.029 -5.361 3.452 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.300 -4.891 2.340 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.442 -5.582 0.966 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.829 -3.553 -0.234 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.560 -3.565 0.178 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.430 -2.560 1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.176 -4.657 1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -5.780 -3.712 2.706 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.764 -5.490 2.783 1.00 0.00 H new ATOM 977 N ILE A 64 -9.309 -1.326 2.221 1.00 0.00 N ATOM 978 CA ILE A 64 -10.313 -0.420 1.717 1.00 0.00 C ATOM 979 C ILE A 64 -10.331 -0.382 0.197 1.00 0.00 C ATOM 980 O ILE A 64 -9.310 -0.584 -0.455 1.00 0.00 O ATOM 981 CB ILE A 64 -9.945 1.001 2.157 1.00 0.00 C ATOM 982 CG1 ILE A 64 -9.810 1.169 3.664 1.00 0.00 C ATOM 983 CG2 ILE A 64 -11.001 1.986 1.671 1.00 0.00 C ATOM 984 CD1 ILE A 64 -9.584 2.650 3.948 1.00 0.00 C ATOM 0 H ILE A 64 -8.361 -0.980 2.071 1.00 0.00 H new ATOM 0 HA ILE A 64 -11.277 -0.759 2.096 1.00 0.00 H new ATOM 0 HB ILE A 64 -8.969 1.198 1.713 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -10.708 0.815 4.170 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -8.977 0.576 4.042 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -10.732 2.994 1.988 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -11.058 1.951 0.583 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -11.970 1.719 2.094 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.483 2.803 5.022 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -8.675 2.982 3.447 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -10.433 3.225 3.578 1.00 0.00 H new ATOM 996 N ALA A 65 -11.485 -0.022 -0.351 1.00 0.00 N ATOM 997 CA ALA A 65 -11.658 0.370 -1.726 1.00 0.00 C ATOM 998 C ALA A 65 -12.776 1.374 -1.699 1.00 0.00 C ATOM 999 O ALA A 65 -13.762 1.211 -0.981 1.00 0.00 O ATOM 1000 CB ALA A 65 -11.988 -0.786 -2.651 1.00 0.00 C ATOM 0 H ALA A 65 -12.355 0.003 0.180 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.729 0.775 -2.127 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.104 -0.415 -3.669 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.181 -1.518 -2.621 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -12.917 -1.257 -2.328 1.00 0.00 H new ATOM 1006 N GLN A 66 -12.575 2.446 -2.442 1.00 0.00 N ATOM 1007 CA GLN A 66 -13.494 3.539 -2.420 1.00 0.00 C ATOM 1008 C GLN A 66 -13.679 4.064 -3.827 1.00 0.00 C ATOM 1009 O GLN A 66 -13.125 5.101 -4.201 1.00 0.00 O ATOM 1010 CB GLN A 66 -12.876 4.563 -1.488 1.00 0.00 C ATOM 1011 CG GLN A 66 -13.778 5.767 -1.376 1.00 0.00 C ATOM 1012 CD GLN A 66 -12.908 6.996 -1.381 1.00 0.00 C ATOM 1013 OE1 GLN A 66 -12.770 7.668 -0.361 1.00 0.00 O ATOM 1014 NE2 GLN A 66 -12.318 7.279 -2.533 1.00 0.00 N ATOM 0 H GLN A 66 -11.778 2.572 -3.066 1.00 0.00 H new ATOM 0 HA GLN A 66 -14.488 3.264 -2.066 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -12.719 4.123 -0.503 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -11.898 4.864 -1.862 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -14.483 5.795 -2.207 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -14.367 5.719 -0.460 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -12.472 6.682 -3.345 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -11.709 8.094 -2.608 1.00 0.00 H new ATOM 1023 N GLY A 67 -14.412 3.294 -4.623 1.00 0.00 N ATOM 1024 CA GLY A 67 -14.709 3.624 -5.996 1.00 0.00 C ATOM 1025 C GLY A 67 -15.841 2.730 -6.481 1.00 0.00 C ATOM 1026 O GLY A 67 -16.609 2.209 -5.671 1.00 0.00 O ATOM 0 H GLY A 67 -14.820 2.410 -4.319 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.994 4.673 -6.079 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.825 3.484 -6.618 1.00 0.00 H new ATOM 1030 N GLU A 68 -15.910 2.524 -7.797 1.00 0.00 N ATOM 1031 CA GLU A 68 -16.941 1.723 -8.435 1.00 0.00 C ATOM 1032 C GLU A 68 -17.028 0.325 -7.830 1.00 0.00 C ATOM 1033 O GLU A 68 -18.124 -0.204 -7.660 1.00 0.00 O ATOM 1034 CB GLU A 68 -16.671 1.635 -9.938 1.00 0.00 C ATOM 1035 CG GLU A 68 -16.483 3.020 -10.563 1.00 0.00 C ATOM 1036 CD GLU A 68 -17.696 3.911 -10.345 1.00 0.00 C ATOM 1037 OE1 GLU A 68 -18.732 3.623 -10.983 1.00 0.00 O ATOM 1038 OE2 GLU A 68 -17.557 4.861 -9.546 1.00 0.00 O ATOM 0 H GLU A 68 -15.238 2.918 -8.455 1.00 0.00 H new ATOM 0 HA GLU A 68 -17.900 2.212 -8.265 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -15.779 1.033 -10.113 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -17.501 1.125 -10.427 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -15.602 3.496 -10.133 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -16.298 2.914 -11.632 1.00 0.00 H new ATOM 1045 N ASP A 69 -15.893 -0.297 -7.506 1.00 0.00 N ATOM 1046 CA ASP A 69 -15.934 -1.607 -6.905 1.00 0.00 C ATOM 1047 C ASP A 69 -15.468 -1.395 -5.485 1.00 0.00 C ATOM 1048 O ASP A 69 -14.424 -1.925 -5.147 1.00 0.00 O ATOM 1049 CB ASP A 69 -15.004 -2.575 -7.642 1.00 0.00 C ATOM 1050 CG ASP A 69 -15.181 -2.533 -9.153 1.00 0.00 C ATOM 1051 OD1 ASP A 69 -14.510 -1.678 -9.776 1.00 0.00 O ATOM 1052 OD2 ASP A 69 -15.975 -3.357 -9.654 1.00 0.00 O ATOM 0 H ASP A 69 -14.958 0.085 -7.650 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.930 -2.047 -6.950 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.970 -2.335 -7.396 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -15.189 -3.589 -7.288 1.00 0.00 H new ATOM 1057 N GLU A 70 -16.123 -0.537 -4.699 1.00 0.00 N ATOM 1058 CA GLU A 70 -15.727 -0.245 -3.336 1.00 0.00 C ATOM 1059 C GLU A 70 -15.567 -1.559 -2.575 1.00 0.00 C ATOM 1060 O GLU A 70 -14.461 -2.090 -2.471 1.00 0.00 O ATOM 1061 CB GLU A 70 -16.811 0.648 -2.738 1.00 0.00 C ATOM 1062 CG GLU A 70 -16.493 1.043 -1.300 1.00 0.00 C ATOM 1063 CD GLU A 70 -17.737 0.977 -0.436 1.00 0.00 C ATOM 1064 OE1 GLU A 70 -18.351 -0.113 -0.435 1.00 0.00 O ATOM 1065 OE2 GLU A 70 -18.047 2.004 0.205 1.00 0.00 O ATOM 0 H GLU A 70 -16.951 -0.024 -5.003 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.770 0.274 -3.281 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -16.918 1.546 -3.346 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -17.768 0.127 -2.768 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -15.729 0.379 -0.896 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -16.082 2.052 -1.278 1.00 0.00 H new ATOM 1072 N GLN A 71 -16.681 -2.102 -2.079 1.00 0.00 N ATOM 1073 CA GLN A 71 -16.697 -3.365 -1.367 1.00 0.00 C ATOM 1074 C GLN A 71 -15.920 -4.441 -2.106 1.00 0.00 C ATOM 1075 O GLN A 71 -15.072 -5.102 -1.516 1.00 0.00 O ATOM 1076 CB GLN A 71 -18.140 -3.821 -1.185 1.00 0.00 C ATOM 1077 CG GLN A 71 -18.633 -3.401 0.195 1.00 0.00 C ATOM 1078 CD GLN A 71 -17.787 -4.018 1.306 1.00 0.00 C ATOM 1079 OE1 GLN A 71 -17.707 -3.472 2.401 1.00 0.00 O ATOM 1080 NE2 GLN A 71 -17.122 -5.142 1.046 1.00 0.00 N ATOM 0 H GLN A 71 -17.600 -1.668 -2.165 1.00 0.00 H new ATOM 0 HA GLN A 71 -16.219 -3.211 -0.400 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -18.772 -3.383 -1.958 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -18.207 -4.903 -1.294 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -18.605 -2.314 0.277 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -19.673 -3.704 0.318 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -17.202 -5.581 0.129 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -16.533 -5.564 1.764 1.00 0.00 H new ATOM 1089 N GLU A 72 -16.202 -4.594 -3.398 1.00 0.00 N ATOM 1090 CA GLU A 72 -15.617 -5.615 -4.244 1.00 0.00 C ATOM 1091 C GLU A 72 -14.091 -5.569 -4.175 1.00 0.00 C ATOM 1092 O GLU A 72 -13.420 -6.593 -4.034 1.00 0.00 O ATOM 1093 CB GLU A 72 -16.118 -5.343 -5.663 1.00 0.00 C ATOM 1094 CG GLU A 72 -15.400 -6.200 -6.697 1.00 0.00 C ATOM 1095 CD GLU A 72 -15.746 -7.674 -6.565 1.00 0.00 C ATOM 1096 OE1 GLU A 72 -16.949 -7.964 -6.395 1.00 0.00 O ATOM 1097 OE2 GLU A 72 -14.798 -8.485 -6.642 1.00 0.00 O ATOM 0 H GLU A 72 -16.861 -3.993 -3.892 1.00 0.00 H new ATOM 0 HA GLU A 72 -15.909 -6.613 -3.917 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.189 -5.537 -5.712 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -15.974 -4.289 -5.902 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.663 -5.855 -7.697 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.323 -6.071 -6.588 1.00 0.00 H new ATOM 1104 N ALA A 73 -13.547 -4.365 -4.293 1.00 0.00 N ATOM 1105 CA ALA A 73 -12.128 -4.137 -4.290 1.00 0.00 C ATOM 1106 C ALA A 73 -11.561 -4.419 -2.904 1.00 0.00 C ATOM 1107 O ALA A 73 -10.689 -5.271 -2.749 1.00 0.00 O ATOM 1108 CB ALA A 73 -11.966 -2.687 -4.717 1.00 0.00 C ATOM 0 H ALA A 73 -14.098 -3.512 -4.395 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.580 -4.794 -4.965 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.907 -2.431 -4.741 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.395 -2.550 -5.710 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.480 -2.039 -4.007 1.00 0.00 H new ATOM 1114 N LEU A 74 -12.084 -3.725 -1.894 1.00 0.00 N ATOM 1115 CA LEU A 74 -11.607 -3.841 -0.527 1.00 0.00 C ATOM 1116 C LEU A 74 -11.610 -5.292 -0.026 1.00 0.00 C ATOM 1117 O LEU A 74 -10.623 -5.756 0.551 1.00 0.00 O ATOM 1118 CB LEU A 74 -12.417 -2.886 0.351 1.00 0.00 C ATOM 1119 CG LEU A 74 -13.918 -3.127 0.245 1.00 0.00 C ATOM 1120 CD1 LEU A 74 -14.402 -3.947 1.427 1.00 0.00 C ATOM 1121 CD2 LEU A 74 -14.649 -1.791 0.212 1.00 0.00 C ATOM 0 H LEU A 74 -12.854 -3.065 -2.007 1.00 0.00 H new ATOM 0 HA LEU A 74 -10.559 -3.547 -0.477 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -12.106 -3.001 1.389 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -12.196 -1.858 0.064 1.00 0.00 H new ATOM 0 HG LEU A 74 -14.125 -3.677 -0.673 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -15.476 -4.112 1.340 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -13.887 -4.907 1.439 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -14.192 -3.411 2.352 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -15.722 -1.965 0.136 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -14.435 -1.237 1.126 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -14.313 -1.214 -0.650 1.00 0.00 H new ATOM 1133 N GLU A 75 -12.703 -6.019 -0.281 1.00 0.00 N ATOM 1134 CA GLU A 75 -12.850 -7.396 0.152 1.00 0.00 C ATOM 1135 C GLU A 75 -11.799 -8.317 -0.467 1.00 0.00 C ATOM 1136 O GLU A 75 -11.213 -9.113 0.265 1.00 0.00 O ATOM 1137 CB GLU A 75 -14.282 -7.881 -0.091 1.00 0.00 C ATOM 1138 CG GLU A 75 -14.671 -7.836 -1.567 1.00 0.00 C ATOM 1139 CD GLU A 75 -16.184 -7.876 -1.746 1.00 0.00 C ATOM 1140 OE1 GLU A 75 -16.877 -7.253 -0.909 1.00 0.00 O ATOM 1141 OE2 GLU A 75 -16.618 -8.509 -2.732 1.00 0.00 O ATOM 0 H GLU A 75 -13.508 -5.660 -0.795 1.00 0.00 H new ATOM 0 HA GLU A 75 -12.668 -7.433 1.226 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.384 -8.902 0.278 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.974 -7.264 0.483 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -14.273 -6.929 -2.022 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -14.219 -8.679 -2.090 1.00 0.00 H new ATOM 1148 N LYS A 76 -11.539 -8.215 -1.780 1.00 0.00 N ATOM 1149 CA LYS A 76 -10.538 -9.060 -2.424 1.00 0.00 C ATOM 1150 C LYS A 76 -9.219 -8.952 -1.678 1.00 0.00 C ATOM 1151 O LYS A 76 -8.598 -9.943 -1.302 1.00 0.00 O ATOM 1152 CB LYS A 76 -10.234 -8.596 -3.850 1.00 0.00 C ATOM 1153 CG LYS A 76 -11.426 -8.532 -4.792 1.00 0.00 C ATOM 1154 CD LYS A 76 -10.880 -8.459 -6.224 1.00 0.00 C ATOM 1155 CE LYS A 76 -9.870 -7.318 -6.390 1.00 0.00 C ATOM 1156 NZ LYS A 76 -9.404 -7.195 -7.783 1.00 0.00 N ATOM 0 H LYS A 76 -12.007 -7.560 -2.406 1.00 0.00 H new ATOM 0 HA LYS A 76 -10.943 -10.072 -2.424 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.780 -7.606 -3.801 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.490 -9.267 -4.280 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -12.060 -9.410 -4.668 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.042 -7.660 -4.572 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.404 -9.406 -6.480 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.706 -8.318 -6.921 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.327 -6.380 -6.076 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.016 -7.491 -5.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.844 -6.324 -7.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.814 -8.017 -8.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.224 -7.157 -8.421 1.00 0.00 H new ATOM 1170 N LEU A 77 -8.803 -7.705 -1.482 1.00 0.00 N ATOM 1171 CA LEU A 77 -7.517 -7.408 -0.902 1.00 0.00 C ATOM 1172 C LEU A 77 -7.424 -7.844 0.546 1.00 0.00 C ATOM 1173 O LEU A 77 -6.471 -8.538 0.885 1.00 0.00 O ATOM 1174 CB LEU A 77 -7.183 -5.940 -1.107 1.00 0.00 C ATOM 1175 CG LEU A 77 -6.870 -5.692 -2.584 1.00 0.00 C ATOM 1176 CD1 LEU A 77 -5.905 -6.757 -3.072 1.00 0.00 C ATOM 1177 CD2 LEU A 77 -8.103 -5.853 -3.460 1.00 0.00 C ATOM 0 H LEU A 77 -9.353 -6.881 -1.723 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.759 -7.994 -1.421 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.020 -5.318 -0.792 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.328 -5.660 -0.491 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.474 -4.679 -2.655 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.677 -6.587 -4.124 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.985 -6.709 -2.489 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.359 -7.741 -2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.837 -5.668 -4.501 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.491 -6.867 -3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.866 -5.140 -3.149 1.00 0.00 H new ATOM 1189 N ALA A 78 -8.383 -7.473 1.403 1.00 0.00 N ATOM 1190 CA ALA A 78 -8.308 -7.910 2.793 1.00 0.00 C ATOM 1191 C ALA A 78 -8.372 -9.432 2.872 1.00 0.00 C ATOM 1192 O ALA A 78 -7.708 -10.038 3.711 1.00 0.00 O ATOM 1193 CB ALA A 78 -9.392 -7.259 3.645 1.00 0.00 C ATOM 0 H ALA A 78 -9.189 -6.894 1.168 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.350 -7.587 3.200 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.305 -7.608 4.674 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.274 -6.176 3.618 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.373 -7.527 3.253 1.00 0.00 H new ATOM 1199 N ALA A 79 -9.159 -10.061 1.994 1.00 0.00 N ATOM 1200 CA ALA A 79 -9.213 -11.509 1.913 1.00 0.00 C ATOM 1201 C ALA A 79 -7.810 -12.041 1.654 1.00 0.00 C ATOM 1202 O ALA A 79 -7.292 -12.875 2.394 1.00 0.00 O ATOM 1203 CB ALA A 79 -10.097 -11.896 0.731 1.00 0.00 C ATOM 0 H ALA A 79 -9.767 -9.581 1.330 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.609 -11.921 2.841 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.149 -12.982 0.655 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.099 -11.495 0.880 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.675 -11.488 -0.188 1.00 0.00 H new ATOM 1209 N TYR A 80 -7.206 -11.510 0.594 1.00 0.00 N ATOM 1210 CA TYR A 80 -5.911 -11.912 0.114 1.00 0.00 C ATOM 1211 C TYR A 80 -4.795 -11.690 1.128 1.00 0.00 C ATOM 1212 O TYR A 80 -4.258 -12.651 1.664 1.00 0.00 O ATOM 1213 CB TYR A 80 -5.654 -11.131 -1.172 1.00 0.00 C ATOM 1214 CG TYR A 80 -4.350 -11.498 -1.837 1.00 0.00 C ATOM 1215 CD1 TYR A 80 -4.136 -12.818 -2.267 1.00 0.00 C ATOM 1216 CD2 TYR A 80 -3.285 -10.579 -1.829 1.00 0.00 C ATOM 1217 CE1 TYR A 80 -2.866 -13.214 -2.717 1.00 0.00 C ATOM 1218 CE2 TYR A 80 -2.009 -10.978 -2.273 1.00 0.00 C ATOM 1219 CZ TYR A 80 -1.807 -12.289 -2.732 1.00 0.00 C ATOM 1220 OH TYR A 80 -0.581 -12.667 -3.191 1.00 0.00 O ATOM 0 H TYR A 80 -7.627 -10.766 0.037 1.00 0.00 H new ATOM 0 HA TYR A 80 -5.911 -12.987 -0.066 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -6.473 -11.310 -1.869 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -5.653 -10.064 -0.948 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -4.949 -13.529 -2.252 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -3.445 -9.569 -1.483 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.703 -14.228 -3.051 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -1.188 -10.277 -2.260 1.00 0.00 H new ATOM 0 HH TYR A 80 -0.662 -13.511 -3.683 1.00 0.00 H new ATOM 1230 N VAL A 81 -4.458 -10.425 1.382 1.00 0.00 N ATOM 1231 CA VAL A 81 -3.324 -9.947 2.175 1.00 0.00 C ATOM 1232 C VAL A 81 -2.981 -10.731 3.436 1.00 0.00 C ATOM 1233 O VAL A 81 -1.814 -10.771 3.811 1.00 0.00 O ATOM 1234 CB VAL A 81 -3.586 -8.504 2.585 1.00 0.00 C ATOM 1235 CG1 VAL A 81 -3.767 -7.647 1.338 1.00 0.00 C ATOM 1236 CG2 VAL A 81 -4.846 -8.450 3.452 1.00 0.00 C ATOM 0 H VAL A 81 -5.010 -9.651 1.012 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.466 -10.074 1.515 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.741 -8.120 3.157 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.955 -6.614 1.631 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.863 -7.694 0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.613 -8.020 0.760 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.039 -7.419 3.749 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.695 -8.829 2.884 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.702 -9.063 4.342 1.00 0.00 H new ATOM 1246 N GLN A 82 -3.989 -11.308 4.088 1.00 0.00 N ATOM 1247 CA GLN A 82 -3.921 -11.976 5.375 1.00 0.00 C ATOM 1248 C GLN A 82 -3.867 -13.513 5.318 1.00 0.00 C ATOM 1249 O GLN A 82 -3.510 -14.163 6.299 1.00 0.00 O ATOM 1250 CB GLN A 82 -5.245 -11.607 6.038 1.00 0.00 C ATOM 1251 CG GLN A 82 -6.335 -12.400 5.314 1.00 0.00 C ATOM 1252 CD GLN A 82 -7.644 -12.493 6.066 1.00 0.00 C ATOM 1253 OE1 GLN A 82 -8.700 -12.001 5.442 1.00 0.00 O flip ATOM 1254 NE2 GLN A 82 -7.707 -13.017 7.172 1.00 0.00 N flip ATOM 0 H GLN A 82 -4.933 -11.319 3.702 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.007 -11.668 5.883 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.228 -11.853 7.100 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -5.431 -10.536 5.962 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.519 -11.939 4.344 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -5.967 -13.408 5.123 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.862 -13.382 7.612 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -8.604 -13.088 7.652 1.00 0.00 H new ATOM 1263 N GLU A 83 -4.292 -14.064 4.181 1.00 0.00 N ATOM 1264 CA GLU A 83 -4.660 -15.453 3.968 1.00 0.00 C ATOM 1265 C GLU A 83 -3.691 -16.552 4.423 1.00 0.00 C ATOM 1266 O GLU A 83 -4.140 -17.580 4.923 1.00 0.00 O ATOM 1267 CB GLU A 83 -5.041 -15.555 2.493 1.00 0.00 C ATOM 1268 CG GLU A 83 -5.717 -16.874 2.125 1.00 0.00 C ATOM 1269 CD GLU A 83 -6.059 -16.917 0.639 1.00 0.00 C ATOM 1270 OE1 GLU A 83 -5.863 -15.877 -0.028 1.00 0.00 O ATOM 1271 OE2 GLU A 83 -6.512 -17.997 0.201 1.00 0.00 O ATOM 0 H GLU A 83 -4.393 -13.510 3.331 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.484 -15.677 4.646 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -5.709 -14.731 2.241 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -4.144 -15.434 1.886 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -5.059 -17.706 2.375 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -6.625 -16.998 2.715 1.00 0.00 H new ATOM 1278 N GLU A 84 -2.384 -16.393 4.224 1.00 0.00 N ATOM 1279 CA GLU A 84 -1.431 -17.456 4.513 1.00 0.00 C ATOM 1280 C GLU A 84 -0.249 -16.898 5.312 1.00 0.00 C ATOM 1281 O GLU A 84 -0.423 -16.338 6.393 1.00 0.00 O ATOM 1282 CB GLU A 84 -1.029 -18.038 3.147 1.00 0.00 C ATOM 1283 CG GLU A 84 -0.474 -16.957 2.201 1.00 0.00 C ATOM 1284 CD GLU A 84 -0.540 -17.399 0.750 1.00 0.00 C ATOM 1285 OE1 GLU A 84 0.003 -18.483 0.455 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -1.137 -16.632 -0.034 1.00 0.00 O ATOM 0 H GLU A 84 -1.963 -15.537 3.863 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.849 -18.246 5.137 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.278 -18.815 3.291 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.895 -18.513 2.686 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.042 -16.035 2.328 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.559 -16.734 2.468 1.00 0.00 H new ATOM 1293 N VAL A 85 0.941 -16.985 4.728 1.00 0.00 N ATOM 1294 CA VAL A 85 2.143 -16.281 5.116 1.00 0.00 C ATOM 1295 C VAL A 85 2.697 -15.816 3.780 1.00 0.00 C ATOM 1296 O VAL A 85 2.536 -16.539 2.749 1.00 0.00 O ATOM 1297 CB VAL A 85 3.193 -17.185 5.876 1.00 0.00 C ATOM 1298 CG1 VAL A 85 4.634 -16.616 5.997 1.00 0.00 C ATOM 1299 CG2 VAL A 85 2.776 -17.551 7.321 1.00 0.00 C ATOM 1300 OXT VAL A 85 3.317 -14.710 3.695 1.00 0.00 O ATOM 0 H VAL A 85 1.094 -17.589 3.921 1.00 0.00 H new ATOM 0 HA VAL A 85 1.933 -15.480 5.825 1.00 0.00 H new ATOM 0 HB VAL A 85 3.201 -18.054 5.219 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.261 -17.325 6.537 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.046 -16.453 5.001 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.607 -15.670 6.538 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.547 -18.172 7.776 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.652 -16.640 7.906 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.834 -18.099 7.300 1.00 0.00 H new TER 1310 VAL A 85