USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 712 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 66 THR OG1 : rot 104:sc= -0.485 USER MOD Set 1.2: A 83 MET CE :methyl 152:sc= -6.28! (180deg=-9.76!) USER MOD Set 2.1: A 68 MET CE :methyl 178:sc= -1.98 (180deg=-0.859) USER MOD Set 2.2: A 72 GLN : amide:sc= -1.79 K(o=-3.8,f=-11!) USER MOD Set 3.1: A 7 SER OG : rot 180:sc= -0.0356 USER MOD Set 3.2: A 56 GLN : amide:sc= -5.7! C(o=-5.7!,f=-5.5!) USER MOD Set 4.1: A 13 LYS NZ :NH3+ 180:sc= 0.882 (180deg=0) USER MOD Set 4.2: A 81 GLN : amide:sc= -1.76! C(o=-0.88!,f=-10!) USER MOD Single : A 1 MET CE :methyl 141:sc= -1.38 (180deg=-3.36!) USER MOD Single : A 1 MET N :NH3+ 165:sc= -0.0795 (180deg=-0.307) USER MOD Single : A 5 LYS NZ :NH3+ -177:sc=-0.000852 (180deg=-0.00697) USER MOD Single : A 6 SER OG : rot 180:sc= -2.88! USER MOD Single : A 19 THR OG1 : rot 70:sc= -0.492 USER MOD Single : A 21 MET CE :methyl -149:sc= -4.86! (180deg=-7.29!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -0.215 USER MOD Single : A 32 GLN : amide:sc= -0.0141 X(o=-0.014,f=-0.0088) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -150:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -1.26 K(o=-1.3,f=-2.6!) USER MOD Single : A 57 CYS SG : rot -30:sc= 1.17 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -41:sc= -0.0279 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 31:sc= 0.96 USER MOD Single : A 89 ASN : amide:sc= -1.31 X(o=-1.3,f=-1.4) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.098 -1.726 10.273 1.00 0.00 N ATOM 2 CA MET A 1 9.730 -0.563 10.864 1.00 0.00 C ATOM 3 C MET A 1 10.757 0.015 9.902 1.00 0.00 C ATOM 4 O MET A 1 11.728 0.617 10.357 1.00 0.00 O ATOM 5 CB MET A 1 10.389 -0.959 12.183 1.00 0.00 C ATOM 6 CG MET A 1 9.357 -0.898 13.306 1.00 0.00 C ATOM 7 SD MET A 1 9.178 0.742 14.050 1.00 0.00 S ATOM 8 CE MET A 1 7.892 1.413 12.967 1.00 0.00 C ATOM 0 H1 MET A 1 8.595 -2.260 11.010 1.00 0.00 H new ATOM 0 H2 MET A 1 8.422 -1.421 9.544 1.00 0.00 H new ATOM 0 H3 MET A 1 9.823 -2.333 9.840 1.00 0.00 H new ATOM 0 HA MET A 1 8.978 0.201 11.061 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.802 -1.965 12.108 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.220 -0.289 12.402 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.390 -1.216 12.915 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.637 -1.610 14.083 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.191 2.003 13.557 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.350 2.047 12.208 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.360 0.594 12.483 1.00 0.00 H new ATOM 20 N LEU A 2 10.530 -0.175 8.610 1.00 0.00 N ATOM 21 CA LEU A 2 11.447 0.336 7.606 1.00 0.00 C ATOM 22 C LEU A 2 10.650 1.018 6.492 1.00 0.00 C ATOM 23 O LEU A 2 9.423 1.065 6.542 1.00 0.00 O ATOM 24 CB LEU A 2 12.371 -0.778 7.108 1.00 0.00 C ATOM 25 CG LEU A 2 13.872 -0.497 7.204 1.00 0.00 C ATOM 26 CD1 LEU A 2 14.496 -1.248 8.383 1.00 0.00 C ATOM 27 CD2 LEU A 2 14.575 -0.818 5.883 1.00 0.00 C ATOM 0 H LEU A 2 9.724 -0.676 8.236 1.00 0.00 H new ATOM 0 HA LEU A 2 12.102 1.093 8.038 1.00 0.00 H new ATOM 0 HB2 LEU A 2 12.154 -1.683 7.675 1.00 0.00 H new ATOM 0 HB3 LEU A 2 12.127 -0.987 6.067 1.00 0.00 H new ATOM 0 HG LEU A 2 14.009 0.568 7.392 1.00 0.00 H new ATOM 0 HD11 LEU A 2 15.563 -1.031 8.429 1.00 0.00 H new ATOM 0 HD12 LEU A 2 14.021 -0.929 9.310 1.00 0.00 H new ATOM 0 HD13 LEU A 2 14.349 -2.320 8.250 1.00 0.00 H new ATOM 0 HD21 LEU A 2 15.641 -0.610 5.978 1.00 0.00 H new ATOM 0 HD22 LEU A 2 14.431 -1.871 5.641 1.00 0.00 H new ATOM 0 HD23 LEU A 2 14.154 -0.202 5.088 1.00 0.00 H new ATOM 39 N VAL A 3 11.382 1.529 5.512 1.00 0.00 N ATOM 40 CA VAL A 3 10.758 2.207 4.388 1.00 0.00 C ATOM 41 C VAL A 3 10.644 1.235 3.212 1.00 0.00 C ATOM 42 O VAL A 3 11.075 0.086 3.307 1.00 0.00 O ATOM 43 CB VAL A 3 11.541 3.475 4.042 1.00 0.00 C ATOM 44 CG1 VAL A 3 12.653 3.175 3.034 1.00 0.00 C ATOM 45 CG2 VAL A 3 10.608 4.569 3.520 1.00 0.00 C ATOM 0 H VAL A 3 12.400 1.487 5.473 1.00 0.00 H new ATOM 0 HA VAL A 3 9.748 2.525 4.646 1.00 0.00 H new ATOM 0 HB VAL A 3 12.008 3.841 4.956 1.00 0.00 H new ATOM 0 HG11 VAL A 3 13.194 4.093 2.805 1.00 0.00 H new ATOM 0 HG12 VAL A 3 13.341 2.444 3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 3 12.216 2.774 2.119 1.00 0.00 H new ATOM 0 HG21 VAL A 3 11.189 5.460 3.281 1.00 0.00 H new ATOM 0 HG22 VAL A 3 10.100 4.216 2.623 1.00 0.00 H new ATOM 0 HG23 VAL A 3 9.869 4.812 4.284 1.00 0.00 H new ATOM 55 N ALA A 4 10.061 1.731 2.131 1.00 0.00 N ATOM 56 CA ALA A 4 9.885 0.920 0.937 1.00 0.00 C ATOM 57 C ALA A 4 8.658 0.024 1.112 1.00 0.00 C ATOM 58 O ALA A 4 8.782 -1.135 1.506 1.00 0.00 O ATOM 59 CB ALA A 4 11.161 0.117 0.673 1.00 0.00 C ATOM 0 H ALA A 4 9.704 2.684 2.056 1.00 0.00 H new ATOM 0 HA ALA A 4 9.711 1.551 0.066 1.00 0.00 H new ATOM 0 HB1 ALA A 4 11.030 -0.491 -0.222 1.00 0.00 H new ATOM 0 HB2 ALA A 4 11.998 0.801 0.528 1.00 0.00 H new ATOM 0 HB3 ALA A 4 11.366 -0.531 1.525 1.00 0.00 H new ATOM 65 N LYS A 5 7.500 0.594 0.809 1.00 0.00 N ATOM 66 CA LYS A 5 6.251 -0.140 0.927 1.00 0.00 C ATOM 67 C LYS A 5 5.770 -0.546 -0.466 1.00 0.00 C ATOM 68 O LYS A 5 6.332 -0.113 -1.472 1.00 0.00 O ATOM 69 CB LYS A 5 5.226 0.674 1.720 1.00 0.00 C ATOM 70 CG LYS A 5 5.599 0.734 3.201 1.00 0.00 C ATOM 71 CD LYS A 5 5.336 -0.608 3.889 1.00 0.00 C ATOM 72 CE LYS A 5 4.390 -0.438 5.078 1.00 0.00 C ATOM 73 NZ LYS A 5 4.994 -1.006 6.305 1.00 0.00 N ATOM 0 H LYS A 5 7.401 1.555 0.482 1.00 0.00 H new ATOM 0 HA LYS A 5 6.400 -1.060 1.493 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.167 1.684 1.315 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.238 0.228 1.608 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.651 0.999 3.304 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.023 1.518 3.693 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.905 -1.309 3.174 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.279 -1.038 4.228 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.172 0.619 5.229 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.441 -0.933 4.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.319 -0.929 7.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.227 -2.007 6.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.861 -0.482 6.540 1.00 0.00 H new ATOM 87 N SER A 6 4.735 -1.373 -0.483 1.00 0.00 N ATOM 88 CA SER A 6 4.172 -1.843 -1.736 1.00 0.00 C ATOM 89 C SER A 6 2.684 -2.149 -1.560 1.00 0.00 C ATOM 90 O SER A 6 2.182 -2.183 -0.437 1.00 0.00 O ATOM 91 CB SER A 6 4.912 -3.083 -2.243 1.00 0.00 C ATOM 92 OG SER A 6 4.172 -3.775 -3.244 1.00 0.00 O ATOM 0 H SER A 6 4.271 -1.730 0.353 1.00 0.00 H new ATOM 0 HA SER A 6 4.289 -1.054 -2.479 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.880 -2.787 -2.648 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.108 -3.755 -1.407 1.00 0.00 H new ATOM 0 HG SER A 6 4.679 -4.559 -3.542 1.00 0.00 H new ATOM 98 N SER A 7 2.018 -2.364 -2.685 1.00 0.00 N ATOM 99 CA SER A 7 0.597 -2.666 -2.669 1.00 0.00 C ATOM 100 C SER A 7 0.364 -4.112 -3.108 1.00 0.00 C ATOM 101 O SER A 7 0.981 -4.582 -4.063 1.00 0.00 O ATOM 102 CB SER A 7 -0.181 -1.705 -3.570 1.00 0.00 C ATOM 103 OG SER A 7 -1.240 -2.361 -4.261 1.00 0.00 O ATOM 0 H SER A 7 2.437 -2.335 -3.615 1.00 0.00 H new ATOM 0 HA SER A 7 0.232 -2.540 -1.650 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.589 -0.893 -2.968 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.499 -1.255 -4.293 1.00 0.00 H new ATOM 0 HG SER A 7 -1.713 -1.714 -4.824 1.00 0.00 H new ATOM 109 N ILE A 8 -0.528 -4.779 -2.391 1.00 0.00 N ATOM 110 CA ILE A 8 -0.851 -6.163 -2.695 1.00 0.00 C ATOM 111 C ILE A 8 -2.360 -6.371 -2.564 1.00 0.00 C ATOM 112 O ILE A 8 -2.897 -6.377 -1.457 1.00 0.00 O ATOM 113 CB ILE A 8 -0.022 -7.109 -1.826 1.00 0.00 C ATOM 114 CG1 ILE A 8 1.444 -6.671 -1.781 1.00 0.00 C ATOM 115 CG2 ILE A 8 -0.172 -8.558 -2.294 1.00 0.00 C ATOM 116 CD1 ILE A 8 2.172 -7.057 -3.069 1.00 0.00 C ATOM 0 H ILE A 8 -1.038 -4.386 -1.600 1.00 0.00 H new ATOM 0 HA ILE A 8 -0.585 -6.399 -3.726 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.405 -7.058 -0.807 1.00 0.00 H new ATOM 0 HG12 ILE A 8 1.500 -5.592 -1.637 1.00 0.00 H new ATOM 0 HG13 ILE A 8 1.939 -7.133 -0.927 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.428 -9.210 -1.659 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.219 -8.854 -2.231 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.168 -8.644 -3.326 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.211 -6.734 -3.010 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.135 -8.139 -3.198 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.689 -6.574 -3.919 1.00 0.00 H new ATOM 128 N LEU A 9 -3.004 -6.536 -3.710 1.00 0.00 N ATOM 129 CA LEU A 9 -4.443 -6.745 -3.737 1.00 0.00 C ATOM 130 C LEU A 9 -4.736 -8.246 -3.716 1.00 0.00 C ATOM 131 O LEU A 9 -4.064 -9.023 -4.392 1.00 0.00 O ATOM 132 CB LEU A 9 -5.068 -6.011 -4.926 1.00 0.00 C ATOM 133 CG LEU A 9 -6.587 -5.838 -4.884 1.00 0.00 C ATOM 134 CD1 LEU A 9 -6.983 -4.693 -3.950 1.00 0.00 C ATOM 135 CD2 LEU A 9 -7.157 -5.653 -6.291 1.00 0.00 C ATOM 0 H LEU A 9 -2.557 -6.529 -4.627 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.908 -6.318 -2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.612 -5.024 -4.999 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.809 -6.550 -5.837 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.023 -6.750 -4.478 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.068 -4.592 -3.939 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.628 -4.906 -2.942 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.535 -3.764 -4.303 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.239 -5.532 -6.232 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.717 -4.767 -6.748 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.922 -6.528 -6.897 1.00 0.00 H new ATOM 147 N LEU A 10 -5.742 -8.609 -2.934 1.00 0.00 N ATOM 148 CA LEU A 10 -6.134 -10.003 -2.817 1.00 0.00 C ATOM 149 C LEU A 10 -7.596 -10.155 -3.240 1.00 0.00 C ATOM 150 O LEU A 10 -8.338 -9.174 -3.290 1.00 0.00 O ATOM 151 CB LEU A 10 -5.845 -10.524 -1.407 1.00 0.00 C ATOM 152 CG LEU A 10 -5.391 -11.982 -1.311 1.00 0.00 C ATOM 153 CD1 LEU A 10 -3.950 -12.141 -1.801 1.00 0.00 C ATOM 154 CD2 LEU A 10 -5.577 -12.522 0.108 1.00 0.00 C ATOM 0 H LEU A 10 -6.298 -7.961 -2.375 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.541 -10.623 -3.490 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.076 -9.895 -0.959 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.746 -10.404 -0.805 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.022 -12.580 -1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.652 -13.187 -1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.882 -11.822 -2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.288 -11.528 -1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.247 -13.560 0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.987 -11.926 0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.630 -12.465 0.384 1.00 0.00 H new ATOM 166 N ASP A 11 -7.969 -11.391 -3.534 1.00 0.00 N ATOM 167 CA ASP A 11 -9.329 -11.685 -3.951 1.00 0.00 C ATOM 168 C ASP A 11 -9.756 -13.035 -3.371 1.00 0.00 C ATOM 169 O ASP A 11 -9.309 -14.084 -3.834 1.00 0.00 O ATOM 170 CB ASP A 11 -9.431 -11.772 -5.476 1.00 0.00 C ATOM 171 CG ASP A 11 -10.818 -11.476 -6.048 1.00 0.00 C ATOM 172 OD1 ASP A 11 -11.810 -11.391 -5.309 1.00 0.00 O ATOM 173 OD2 ASP A 11 -10.859 -11.328 -7.329 1.00 0.00 O ATOM 0 H ASP A 11 -7.352 -12.202 -3.492 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.973 -10.882 -3.591 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -8.717 -11.074 -5.913 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.131 -12.772 -5.789 1.00 0.00 H new ATOM 178 N VAL A 12 -10.617 -12.965 -2.367 1.00 0.00 N ATOM 179 CA VAL A 12 -11.110 -14.169 -1.718 1.00 0.00 C ATOM 180 C VAL A 12 -12.514 -14.485 -2.238 1.00 0.00 C ATOM 181 O VAL A 12 -13.346 -13.589 -2.371 1.00 0.00 O ATOM 182 CB VAL A 12 -11.059 -14.003 -0.198 1.00 0.00 C ATOM 183 CG1 VAL A 12 -11.021 -15.363 0.501 1.00 0.00 C ATOM 184 CG2 VAL A 12 -9.867 -13.138 0.219 1.00 0.00 C ATOM 0 H VAL A 12 -10.986 -12.094 -1.987 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.474 -15.021 -1.960 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.970 -13.492 0.114 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.985 -15.216 1.580 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.915 -15.931 0.241 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.136 -15.913 0.180 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.854 -13.036 1.304 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.942 -13.609 -0.112 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.956 -12.152 -0.237 1.00 0.00 H new ATOM 194 N LYS A 13 -12.733 -15.761 -2.518 1.00 0.00 N ATOM 195 CA LYS A 13 -14.022 -16.206 -3.021 1.00 0.00 C ATOM 196 C LYS A 13 -14.848 -16.772 -1.864 1.00 0.00 C ATOM 197 O LYS A 13 -14.410 -17.692 -1.175 1.00 0.00 O ATOM 198 CB LYS A 13 -13.834 -17.188 -4.180 1.00 0.00 C ATOM 199 CG LYS A 13 -15.077 -17.226 -5.071 1.00 0.00 C ATOM 200 CD LYS A 13 -15.868 -18.519 -4.855 1.00 0.00 C ATOM 201 CE LYS A 13 -16.978 -18.663 -5.897 1.00 0.00 C ATOM 202 NZ LYS A 13 -16.580 -19.624 -6.950 1.00 0.00 N ATOM 0 H LYS A 13 -12.040 -16.501 -2.406 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.582 -15.366 -3.432 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.966 -16.896 -4.772 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.632 -18.185 -3.788 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -15.711 -16.367 -4.853 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -14.781 -17.147 -6.117 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -15.196 -19.375 -4.914 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -16.301 -18.522 -3.855 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -17.895 -19.002 -5.415 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -17.193 -17.693 -6.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -17.345 -19.710 -7.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -15.717 -19.285 -7.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -16.398 -20.554 -6.521 1.00 0.00 H new ATOM 216 N PRO A 14 -16.059 -16.181 -1.680 1.00 0.00 N ATOM 217 CA PRO A 14 -16.951 -16.616 -0.618 1.00 0.00 C ATOM 218 C PRO A 14 -17.614 -17.948 -0.971 1.00 0.00 C ATOM 219 O PRO A 14 -18.027 -18.158 -2.111 1.00 0.00 O ATOM 220 CB PRO A 14 -17.947 -15.480 -0.452 1.00 0.00 C ATOM 221 CG PRO A 14 -17.865 -14.663 -1.731 1.00 0.00 C ATOM 222 CD PRO A 14 -16.610 -15.088 -2.475 1.00 0.00 C ATOM 0 HA PRO A 14 -16.429 -16.809 0.319 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -18.955 -15.864 -0.298 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -17.702 -14.870 0.417 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -18.749 -14.829 -2.347 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -17.831 -13.598 -1.502 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -16.842 -15.414 -3.489 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -15.902 -14.264 -2.559 1.00 0.00 H new ATOM 230 N TRP A 15 -17.697 -18.814 0.028 1.00 0.00 N ATOM 231 CA TRP A 15 -18.305 -20.121 -0.162 1.00 0.00 C ATOM 232 C TRP A 15 -19.577 -19.934 -0.990 1.00 0.00 C ATOM 233 O TRP A 15 -19.901 -20.768 -1.834 1.00 0.00 O ATOM 234 CB TRP A 15 -18.560 -20.808 1.180 1.00 0.00 C ATOM 235 CG TRP A 15 -17.601 -21.960 1.483 1.00 0.00 C ATOM 236 CD1 TRP A 15 -16.966 -22.225 2.634 1.00 0.00 C ATOM 237 CD2 TRP A 15 -17.189 -22.999 0.569 1.00 0.00 C ATOM 238 NE1 TRP A 15 -16.178 -23.354 2.528 1.00 0.00 N ATOM 239 CE2 TRP A 15 -16.319 -23.839 1.233 1.00 0.00 C ATOM 240 CE3 TRP A 15 -17.541 -23.221 -0.774 1.00 0.00 C ATOM 241 CZ2 TRP A 15 -15.728 -24.958 0.634 1.00 0.00 C ATOM 242 CZ3 TRP A 15 -16.942 -24.344 -1.358 1.00 0.00 C ATOM 243 CH2 TRP A 15 -16.064 -25.199 -0.703 1.00 0.00 C ATOM 0 H TRP A 15 -17.353 -18.637 0.972 1.00 0.00 H new ATOM 0 HA TRP A 15 -17.631 -20.785 -0.704 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -18.484 -20.067 1.976 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -19.582 -21.187 1.194 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -17.059 -21.630 3.531 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -15.599 -23.758 3.264 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -18.220 -22.576 -1.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -15.049 -25.601 1.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -17.179 -24.561 -2.389 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -15.643 -26.046 -1.224 1.00 0.00 H new ATOM 254 N ASP A 16 -20.266 -18.834 -0.720 1.00 0.00 N ATOM 255 CA ASP A 16 -21.496 -18.528 -1.429 1.00 0.00 C ATOM 256 C ASP A 16 -22.082 -17.224 -0.885 1.00 0.00 C ATOM 257 O ASP A 16 -21.464 -16.559 -0.055 1.00 0.00 O ATOM 258 CB ASP A 16 -22.536 -19.633 -1.232 1.00 0.00 C ATOM 259 CG ASP A 16 -22.876 -20.433 -2.491 1.00 0.00 C ATOM 260 OD1 ASP A 16 -22.064 -21.234 -2.978 1.00 0.00 O ATOM 261 OD2 ASP A 16 -24.047 -20.204 -2.982 1.00 0.00 O ATOM 0 H ASP A 16 -19.995 -18.144 -0.019 1.00 0.00 H new ATOM 0 HA ASP A 16 -21.261 -18.440 -2.490 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -22.172 -20.322 -0.469 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -23.452 -19.185 -0.846 1.00 0.00 H new ATOM 266 N ASP A 17 -23.270 -16.897 -1.373 1.00 0.00 N ATOM 267 CA ASP A 17 -23.946 -15.684 -0.946 1.00 0.00 C ATOM 268 C ASP A 17 -24.208 -15.756 0.560 1.00 0.00 C ATOM 269 O ASP A 17 -24.501 -14.742 1.191 1.00 0.00 O ATOM 270 CB ASP A 17 -25.295 -15.528 -1.653 1.00 0.00 C ATOM 271 CG ASP A 17 -26.498 -16.065 -0.877 1.00 0.00 C ATOM 272 OD1 ASP A 17 -26.611 -17.275 -0.630 1.00 0.00 O ATOM 273 OD2 ASP A 17 -27.357 -15.173 -0.515 1.00 0.00 O ATOM 0 H ASP A 17 -23.781 -17.451 -2.060 1.00 0.00 H new ATOM 0 HA ASP A 17 -23.308 -14.836 -1.194 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -25.459 -14.471 -1.861 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -25.245 -16.038 -2.615 1.00 0.00 H new ATOM 278 N GLU A 18 -24.092 -16.964 1.093 1.00 0.00 N ATOM 279 CA GLU A 18 -24.313 -17.180 2.512 1.00 0.00 C ATOM 280 C GLU A 18 -23.120 -16.663 3.319 1.00 0.00 C ATOM 281 O GLU A 18 -23.281 -16.217 4.454 1.00 0.00 O ATOM 282 CB GLU A 18 -24.575 -18.659 2.807 1.00 0.00 C ATOM 283 CG GLU A 18 -23.318 -19.497 2.562 1.00 0.00 C ATOM 284 CD GLU A 18 -23.522 -20.940 3.029 1.00 0.00 C ATOM 285 OE1 GLU A 18 -23.302 -21.245 4.211 1.00 0.00 O ATOM 286 OE2 GLU A 18 -23.925 -21.757 2.117 1.00 0.00 O ATOM 0 H GLU A 18 -23.848 -17.803 0.567 1.00 0.00 H new ATOM 0 HA GLU A 18 -25.199 -16.621 2.812 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -24.899 -18.776 3.841 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -25.387 -19.021 2.176 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -23.070 -19.486 1.501 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -22.473 -19.056 3.091 1.00 0.00 H new ATOM 293 N THR A 19 -21.951 -16.738 2.701 1.00 0.00 N ATOM 294 CA THR A 19 -20.732 -16.283 3.348 1.00 0.00 C ATOM 295 C THR A 19 -20.808 -14.781 3.633 1.00 0.00 C ATOM 296 O THR A 19 -20.749 -13.968 2.712 1.00 0.00 O ATOM 297 CB THR A 19 -19.550 -16.674 2.458 1.00 0.00 C ATOM 298 OG1 THR A 19 -19.273 -18.024 2.821 1.00 0.00 O ATOM 299 CG2 THR A 19 -18.269 -15.920 2.821 1.00 0.00 C ATOM 0 H THR A 19 -21.822 -17.107 1.759 1.00 0.00 H new ATOM 0 HA THR A 19 -20.598 -16.760 4.319 1.00 0.00 H new ATOM 0 HB THR A 19 -19.802 -16.481 1.415 1.00 0.00 H new ATOM 0 HG1 THR A 19 -19.998 -18.603 2.505 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.462 -16.235 2.160 1.00 0.00 H new ATOM 0 HG22 THR A 19 -18.433 -14.848 2.709 1.00 0.00 H new ATOM 0 HG23 THR A 19 -17.998 -16.139 3.854 1.00 0.00 H new ATOM 307 N ASP A 20 -20.938 -14.460 4.912 1.00 0.00 N ATOM 308 CA ASP A 20 -21.023 -13.070 5.329 1.00 0.00 C ATOM 309 C ASP A 20 -19.958 -12.256 4.594 1.00 0.00 C ATOM 310 O ASP A 20 -18.936 -12.798 4.173 1.00 0.00 O ATOM 311 CB ASP A 20 -20.772 -12.931 6.832 1.00 0.00 C ATOM 312 CG ASP A 20 -21.976 -12.451 7.646 1.00 0.00 C ATOM 313 OD1 ASP A 20 -22.452 -11.306 7.291 1.00 0.00 O ATOM 314 OD2 ASP A 20 -22.434 -13.136 8.572 1.00 0.00 O ATOM 0 H ASP A 20 -20.987 -15.138 5.673 1.00 0.00 H new ATOM 0 HA ASP A 20 -22.024 -12.707 5.095 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -20.450 -13.896 7.222 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -19.948 -12.234 6.985 1.00 0.00 H new ATOM 319 N MET A 21 -20.231 -10.966 4.460 1.00 0.00 N ATOM 320 CA MET A 21 -19.308 -10.071 3.784 1.00 0.00 C ATOM 321 C MET A 21 -18.670 -9.093 4.771 1.00 0.00 C ATOM 322 O MET A 21 -17.497 -8.744 4.637 1.00 0.00 O ATOM 323 CB MET A 21 -20.055 -9.290 2.701 1.00 0.00 C ATOM 324 CG MET A 21 -20.311 -10.165 1.472 1.00 0.00 C ATOM 325 SD MET A 21 -19.592 -9.409 0.024 1.00 0.00 S ATOM 326 CE MET A 21 -18.894 -10.850 -0.764 1.00 0.00 C ATOM 0 H MET A 21 -21.079 -10.519 4.809 1.00 0.00 H new ATOM 0 HA MET A 21 -18.517 -10.669 3.332 1.00 0.00 H new ATOM 0 HB2 MET A 21 -21.003 -8.928 3.098 1.00 0.00 H new ATOM 0 HB3 MET A 21 -19.474 -8.414 2.413 1.00 0.00 H new ATOM 0 HG2 MET A 21 -19.883 -11.156 1.625 1.00 0.00 H new ATOM 0 HG3 MET A 21 -21.383 -10.299 1.328 1.00 0.00 H new ATOM 0 HE1 MET A 21 -18.000 -10.565 -1.318 1.00 0.00 H new ATOM 0 HE2 MET A 21 -18.631 -11.588 -0.006 1.00 0.00 H new ATOM 0 HE3 MET A 21 -19.624 -11.279 -1.450 1.00 0.00 H new ATOM 336 N ALA A 22 -19.469 -8.676 5.742 1.00 0.00 N ATOM 337 CA ALA A 22 -18.997 -7.743 6.752 1.00 0.00 C ATOM 338 C ALA A 22 -17.822 -8.368 7.507 1.00 0.00 C ATOM 339 O ALA A 22 -16.680 -7.937 7.350 1.00 0.00 O ATOM 340 CB ALA A 22 -20.153 -7.369 7.681 1.00 0.00 C ATOM 0 H ALA A 22 -20.441 -8.967 5.851 1.00 0.00 H new ATOM 0 HA ALA A 22 -18.640 -6.823 6.288 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -19.799 -6.669 8.438 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -20.950 -6.904 7.101 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -20.535 -8.267 8.167 1.00 0.00 H new ATOM 346 N LYS A 23 -18.141 -9.371 8.309 1.00 0.00 N ATOM 347 CA LYS A 23 -17.126 -10.059 9.089 1.00 0.00 C ATOM 348 C LYS A 23 -15.949 -10.418 8.181 1.00 0.00 C ATOM 349 O LYS A 23 -14.827 -9.963 8.403 1.00 0.00 O ATOM 350 CB LYS A 23 -17.732 -11.263 9.814 1.00 0.00 C ATOM 351 CG LYS A 23 -18.380 -10.839 11.133 1.00 0.00 C ATOM 352 CD LYS A 23 -17.704 -11.525 12.322 1.00 0.00 C ATOM 353 CE LYS A 23 -17.978 -10.765 13.622 1.00 0.00 C ATOM 354 NZ LYS A 23 -16.760 -10.054 14.073 1.00 0.00 N ATOM 0 H LYS A 23 -19.089 -9.725 8.436 1.00 0.00 H new ATOM 0 HA LYS A 23 -16.739 -9.406 9.871 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -18.476 -11.740 9.176 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -16.956 -12.004 10.007 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -18.310 -9.757 11.245 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -19.441 -11.090 11.119 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -18.068 -12.548 12.411 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -16.629 -11.583 12.150 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -18.787 -10.051 13.469 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -18.307 -11.460 14.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.963 -9.543 14.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -15.998 -10.742 14.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.463 -9.377 13.342 1.00 0.00 H new ATOM 368 N LEU A 24 -16.243 -11.230 7.176 1.00 0.00 N ATOM 369 CA LEU A 24 -15.221 -11.655 6.234 1.00 0.00 C ATOM 370 C LEU A 24 -14.323 -10.464 5.891 1.00 0.00 C ATOM 371 O LEU A 24 -13.100 -10.590 5.874 1.00 0.00 O ATOM 372 CB LEU A 24 -15.862 -12.314 5.011 1.00 0.00 C ATOM 373 CG LEU A 24 -15.168 -13.574 4.487 1.00 0.00 C ATOM 374 CD1 LEU A 24 -15.944 -14.179 3.315 1.00 0.00 C ATOM 375 CD2 LEU A 24 -13.710 -13.286 4.123 1.00 0.00 C ATOM 0 H LEU A 24 -17.174 -11.605 6.993 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.583 -12.417 6.681 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -16.893 -12.567 5.258 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -15.898 -11.581 4.205 1.00 0.00 H new ATOM 0 HG LEU A 24 -15.159 -14.317 5.285 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -15.430 -15.073 2.961 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -16.949 -14.444 3.642 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -16.006 -13.452 2.506 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -13.240 -14.198 3.754 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.673 -12.519 3.349 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.177 -12.936 5.007 1.00 0.00 H new ATOM 387 N GLU A 25 -14.965 -9.337 5.626 1.00 0.00 N ATOM 388 CA GLU A 25 -14.241 -8.125 5.284 1.00 0.00 C ATOM 389 C GLU A 25 -13.510 -7.579 6.513 1.00 0.00 C ATOM 390 O GLU A 25 -12.283 -7.486 6.521 1.00 0.00 O ATOM 391 CB GLU A 25 -15.179 -7.072 4.692 1.00 0.00 C ATOM 392 CG GLU A 25 -14.400 -5.837 4.235 1.00 0.00 C ATOM 393 CD GLU A 25 -15.321 -4.622 4.112 1.00 0.00 C ATOM 394 OE1 GLU A 25 -16.218 -4.708 3.189 1.00 0.00 O ATOM 395 OE2 GLU A 25 -15.171 -3.651 4.870 1.00 0.00 O ATOM 0 H GLU A 25 -15.980 -9.237 5.641 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.500 -8.371 4.523 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -15.721 -7.497 3.847 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -15.922 -6.783 5.435 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.602 -5.622 4.946 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -13.926 -6.037 3.274 1.00 0.00 H new ATOM 402 N GLU A 26 -14.295 -7.232 7.523 1.00 0.00 N ATOM 403 CA GLU A 26 -13.739 -6.699 8.755 1.00 0.00 C ATOM 404 C GLU A 26 -12.543 -7.540 9.204 1.00 0.00 C ATOM 405 O GLU A 26 -11.460 -7.007 9.444 1.00 0.00 O ATOM 406 CB GLU A 26 -14.803 -6.629 9.851 1.00 0.00 C ATOM 407 CG GLU A 26 -15.713 -5.414 9.656 1.00 0.00 C ATOM 408 CD GLU A 26 -15.115 -4.169 10.313 1.00 0.00 C ATOM 409 OE1 GLU A 26 -15.007 -4.111 11.547 1.00 0.00 O ATOM 410 OE2 GLU A 26 -14.754 -3.240 9.493 1.00 0.00 O ATOM 0 H GLU A 26 -15.312 -7.310 7.513 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.393 -5.683 8.566 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -15.401 -7.541 9.841 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.321 -6.574 10.827 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -15.860 -5.233 8.591 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -16.695 -5.619 10.083 1.00 0.00 H new ATOM 417 N CYS A 27 -12.777 -8.839 9.306 1.00 0.00 N ATOM 418 CA CYS A 27 -11.733 -9.759 9.723 1.00 0.00 C ATOM 419 C CYS A 27 -10.437 -9.368 9.010 1.00 0.00 C ATOM 420 O CYS A 27 -9.419 -9.121 9.654 1.00 0.00 O ATOM 421 CB CYS A 27 -12.118 -11.214 9.452 1.00 0.00 C ATOM 422 SG CYS A 27 -12.428 -12.085 11.031 1.00 0.00 S ATOM 0 H CYS A 27 -13.676 -9.277 9.107 1.00 0.00 H new ATOM 0 HA CYS A 27 -11.590 -9.687 10.801 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -13.009 -11.252 8.825 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -11.320 -11.713 8.902 1.00 0.00 H new ATOM 0 HG CYS A 27 -12.756 -13.319 10.789 1.00 0.00 H new ATOM 428 N VAL A 28 -10.516 -9.327 7.687 1.00 0.00 N ATOM 429 CA VAL A 28 -9.362 -8.971 6.879 1.00 0.00 C ATOM 430 C VAL A 28 -8.701 -7.722 7.464 1.00 0.00 C ATOM 431 O VAL A 28 -7.477 -7.644 7.546 1.00 0.00 O ATOM 432 CB VAL A 28 -9.781 -8.798 5.418 1.00 0.00 C ATOM 433 CG1 VAL A 28 -8.575 -8.455 4.540 1.00 0.00 C ATOM 434 CG2 VAL A 28 -10.498 -10.048 4.901 1.00 0.00 C ATOM 0 H VAL A 28 -11.361 -9.534 7.155 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.620 -9.770 6.898 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.482 -7.965 5.366 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.899 -8.337 3.506 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.125 -7.525 4.887 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.841 -9.258 4.601 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.785 -9.898 3.860 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.830 -10.907 4.974 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -11.390 -10.230 5.501 1.00 0.00 H new ATOM 444 N ARG A 29 -9.541 -6.774 7.855 1.00 0.00 N ATOM 445 CA ARG A 29 -9.055 -5.532 8.429 1.00 0.00 C ATOM 446 C ARG A 29 -8.367 -5.800 9.770 1.00 0.00 C ATOM 447 O ARG A 29 -7.244 -5.354 9.996 1.00 0.00 O ATOM 448 CB ARG A 29 -10.197 -4.537 8.640 1.00 0.00 C ATOM 449 CG ARG A 29 -10.091 -3.365 7.662 1.00 0.00 C ATOM 450 CD ARG A 29 -10.640 -2.079 8.285 1.00 0.00 C ATOM 451 NE ARG A 29 -10.300 -0.918 7.432 1.00 0.00 N ATOM 452 CZ ARG A 29 -10.877 -0.660 6.251 1.00 0.00 C ATOM 453 NH1 ARG A 29 -11.826 -1.478 5.775 1.00 0.00 N ATOM 454 NH2 ARG A 29 -10.506 0.417 5.546 1.00 0.00 N ATOM 0 H ARG A 29 -10.556 -6.842 7.785 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.339 -5.102 7.728 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.154 -5.042 8.506 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.175 -4.164 9.664 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.049 -3.219 7.376 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -10.643 -3.596 6.751 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -11.722 -2.153 8.398 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -10.223 -1.942 9.283 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.582 -0.274 7.764 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -12.109 -2.298 6.312 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -12.265 -1.281 4.876 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.784 1.040 5.909 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.945 0.614 4.647 1.00 0.00 H new ATOM 468 N SER A 30 -9.072 -6.528 10.624 1.00 0.00 N ATOM 469 CA SER A 30 -8.544 -6.861 11.936 1.00 0.00 C ATOM 470 C SER A 30 -7.048 -7.169 11.836 1.00 0.00 C ATOM 471 O SER A 30 -6.238 -6.562 12.534 1.00 0.00 O ATOM 472 CB SER A 30 -9.291 -8.050 12.545 1.00 0.00 C ATOM 473 OG SER A 30 -8.427 -9.157 12.783 1.00 0.00 O ATOM 0 H SER A 30 -10.004 -6.896 10.433 1.00 0.00 H new ATOM 0 HA SER A 30 -8.688 -6.002 12.591 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.756 -7.745 13.482 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.095 -8.355 11.875 1.00 0.00 H new ATOM 0 HG SER A 30 -8.941 -9.895 13.173 1.00 0.00 H new ATOM 479 N ILE A 31 -6.728 -8.111 10.960 1.00 0.00 N ATOM 480 CA ILE A 31 -5.344 -8.507 10.760 1.00 0.00 C ATOM 481 C ILE A 31 -4.454 -7.264 10.786 1.00 0.00 C ATOM 482 O ILE A 31 -4.831 -6.214 10.266 1.00 0.00 O ATOM 483 CB ILE A 31 -5.204 -9.338 9.482 1.00 0.00 C ATOM 484 CG1 ILE A 31 -5.696 -10.769 9.702 1.00 0.00 C ATOM 485 CG2 ILE A 31 -3.768 -9.299 8.958 1.00 0.00 C ATOM 486 CD1 ILE A 31 -6.796 -11.131 8.702 1.00 0.00 C ATOM 0 H ILE A 31 -7.403 -8.611 10.381 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.011 -9.154 11.572 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.839 -8.895 8.715 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.863 -11.464 9.598 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.075 -10.875 10.719 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.696 -9.897 8.050 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.489 -8.269 8.737 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.094 -9.703 9.713 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.128 -12.154 8.881 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -7.638 -10.450 8.825 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.407 -11.048 7.687 1.00 0.00 H new ATOM 498 N GLN A 32 -3.289 -7.421 11.396 1.00 0.00 N ATOM 499 CA GLN A 32 -2.342 -6.324 11.497 1.00 0.00 C ATOM 500 C GLN A 32 -0.914 -6.863 11.606 1.00 0.00 C ATOM 501 O GLN A 32 -0.695 -7.941 12.157 1.00 0.00 O ATOM 502 CB GLN A 32 -2.677 -5.417 12.682 1.00 0.00 C ATOM 503 CG GLN A 32 -2.249 -3.974 12.407 1.00 0.00 C ATOM 504 CD GLN A 32 -3.462 -3.087 12.120 1.00 0.00 C ATOM 505 OE1 GLN A 32 -4.333 -2.895 12.952 1.00 0.00 O ATOM 506 NE2 GLN A 32 -3.470 -2.558 10.900 1.00 0.00 N ATOM 0 H GLN A 32 -2.979 -8.292 11.826 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.415 -5.723 10.590 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.749 -5.451 12.879 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -2.177 -5.784 13.578 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.703 -3.583 13.266 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.567 -3.949 11.557 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.709 -2.760 10.252 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.237 -1.951 10.613 1.00 0.00 H new ATOM 515 N ALA A 33 0.019 -6.090 11.073 1.00 0.00 N ATOM 516 CA ALA A 33 1.420 -6.477 11.103 1.00 0.00 C ATOM 517 C ALA A 33 2.292 -5.231 10.934 1.00 0.00 C ATOM 518 O ALA A 33 1.865 -4.247 10.331 1.00 0.00 O ATOM 519 CB ALA A 33 1.684 -7.525 10.021 1.00 0.00 C ATOM 0 H ALA A 33 -0.167 -5.197 10.617 1.00 0.00 H new ATOM 0 HA ALA A 33 1.673 -6.929 12.062 1.00 0.00 H new ATOM 0 HB1 ALA A 33 2.735 -7.815 10.044 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.062 -8.401 10.204 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.444 -7.107 9.043 1.00 0.00 H new ATOM 525 N ASP A 34 3.498 -5.314 11.475 1.00 0.00 N ATOM 526 CA ASP A 34 4.434 -4.206 11.392 1.00 0.00 C ATOM 527 C ASP A 34 4.625 -3.815 9.925 1.00 0.00 C ATOM 528 O ASP A 34 4.420 -2.659 9.557 1.00 0.00 O ATOM 529 CB ASP A 34 5.801 -4.596 11.958 1.00 0.00 C ATOM 530 CG ASP A 34 6.585 -3.451 12.602 1.00 0.00 C ATOM 531 OD1 ASP A 34 6.448 -2.283 12.210 1.00 0.00 O ATOM 532 OD2 ASP A 34 7.374 -3.802 13.560 1.00 0.00 O ATOM 0 H ASP A 34 3.849 -6.132 11.973 1.00 0.00 H new ATOM 0 HA ASP A 34 4.027 -3.377 11.971 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.659 -5.382 12.700 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.402 -5.021 11.154 1.00 0.00 H new ATOM 537 N GLY A 35 5.012 -4.799 9.128 1.00 0.00 N ATOM 538 CA GLY A 35 5.232 -4.572 7.710 1.00 0.00 C ATOM 539 C GLY A 35 3.926 -4.713 6.923 1.00 0.00 C ATOM 540 O GLY A 35 3.946 -4.851 5.701 1.00 0.00 O ATOM 0 H GLY A 35 5.179 -5.756 9.437 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.647 -3.576 7.558 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.966 -5.284 7.334 1.00 0.00 H new ATOM 544 N LEU A 36 2.824 -4.673 7.656 1.00 0.00 N ATOM 545 CA LEU A 36 1.513 -4.794 7.043 1.00 0.00 C ATOM 546 C LEU A 36 0.698 -3.533 7.335 1.00 0.00 C ATOM 547 O LEU A 36 0.545 -3.143 8.493 1.00 0.00 O ATOM 548 CB LEU A 36 0.828 -6.087 7.494 1.00 0.00 C ATOM 549 CG LEU A 36 -0.432 -6.483 6.721 1.00 0.00 C ATOM 550 CD1 LEU A 36 -0.314 -7.906 6.172 1.00 0.00 C ATOM 551 CD2 LEU A 36 -1.683 -6.303 7.584 1.00 0.00 C ATOM 0 H LEU A 36 2.812 -4.558 8.669 1.00 0.00 H new ATOM 0 HA LEU A 36 1.605 -4.870 5.960 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.548 -6.902 7.418 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.568 -5.989 8.548 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.532 -5.816 5.865 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.223 -8.162 5.627 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.542 -7.967 5.500 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.177 -8.604 6.998 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.565 -6.591 7.011 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.606 -6.931 8.472 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.771 -5.259 7.884 1.00 0.00 H new ATOM 563 N VAL A 37 0.198 -2.929 6.268 1.00 0.00 N ATOM 564 CA VAL A 37 -0.597 -1.720 6.396 1.00 0.00 C ATOM 565 C VAL A 37 -1.896 -1.881 5.604 1.00 0.00 C ATOM 566 O VAL A 37 -1.871 -1.985 4.378 1.00 0.00 O ATOM 567 CB VAL A 37 0.224 -0.506 5.956 1.00 0.00 C ATOM 568 CG1 VAL A 37 -0.677 0.709 5.720 1.00 0.00 C ATOM 569 CG2 VAL A 37 1.318 -0.186 6.976 1.00 0.00 C ATOM 0 H VAL A 37 0.328 -3.254 5.310 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.871 -1.552 7.438 1.00 0.00 H new ATOM 0 HB VAL A 37 0.708 -0.753 5.011 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.069 1.558 5.408 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.403 0.478 4.941 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.201 0.958 6.643 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.887 0.681 6.640 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.862 0.032 7.942 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.985 -1.042 7.074 1.00 0.00 H new ATOM 579 N TRP A 38 -3.000 -1.899 6.336 1.00 0.00 N ATOM 580 CA TRP A 38 -4.306 -2.047 5.717 1.00 0.00 C ATOM 581 C TRP A 38 -4.694 -0.700 5.102 1.00 0.00 C ATOM 582 O TRP A 38 -4.378 0.352 5.655 1.00 0.00 O ATOM 583 CB TRP A 38 -5.336 -2.561 6.725 1.00 0.00 C ATOM 584 CG TRP A 38 -5.327 -4.081 6.902 1.00 0.00 C ATOM 585 CD1 TRP A 38 -5.132 -4.779 8.029 1.00 0.00 C ATOM 586 CD2 TRP A 38 -5.531 -5.069 5.870 1.00 0.00 C ATOM 587 NE1 TRP A 38 -5.195 -6.138 7.800 1.00 0.00 N ATOM 588 CE2 TRP A 38 -5.446 -6.320 6.445 1.00 0.00 C ATOM 589 CE3 TRP A 38 -5.781 -4.909 4.495 1.00 0.00 C ATOM 590 CZ2 TRP A 38 -5.597 -7.508 5.719 1.00 0.00 C ATOM 591 CZ3 TRP A 38 -5.929 -6.106 3.784 1.00 0.00 C ATOM 592 CH2 TRP A 38 -5.845 -7.374 4.348 1.00 0.00 C ATOM 0 H TRP A 38 -3.017 -1.814 7.352 1.00 0.00 H new ATOM 0 HA TRP A 38 -4.274 -2.796 4.925 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.150 -2.092 7.691 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -6.330 -2.248 6.405 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -4.948 -4.334 8.996 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.079 -6.874 8.497 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -5.853 -3.939 4.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -5.526 -8.476 6.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -6.122 -6.040 2.723 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -5.971 -8.252 3.731 1.00 0.00 H new ATOM 603 N GLY A 39 -5.372 -0.776 3.967 1.00 0.00 N ATOM 604 CA GLY A 39 -5.806 0.423 3.272 1.00 0.00 C ATOM 605 C GLY A 39 -7.329 0.462 3.143 1.00 0.00 C ATOM 606 O GLY A 39 -8.028 0.821 4.090 1.00 0.00 O ATOM 0 H GLY A 39 -5.632 -1.651 3.511 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.461 1.305 3.811 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.353 0.457 2.281 1.00 0.00 H new ATOM 610 N SER A 40 -7.802 0.087 1.963 1.00 0.00 N ATOM 611 CA SER A 40 -9.230 0.075 1.698 1.00 0.00 C ATOM 612 C SER A 40 -9.577 -1.081 0.758 1.00 0.00 C ATOM 613 O SER A 40 -8.917 -1.279 -0.259 1.00 0.00 O ATOM 614 CB SER A 40 -9.690 1.404 1.097 1.00 0.00 C ATOM 615 OG SER A 40 -10.710 2.021 1.880 1.00 0.00 O ATOM 0 H SER A 40 -7.221 -0.211 1.180 1.00 0.00 H new ATOM 0 HA SER A 40 -9.753 -0.064 2.644 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.838 2.079 1.015 1.00 0.00 H new ATOM 0 HB3 SER A 40 -10.061 1.235 0.086 1.00 0.00 H new ATOM 0 HG SER A 40 -10.975 2.868 1.464 1.00 0.00 H new ATOM 621 N SER A 41 -10.616 -1.815 1.133 1.00 0.00 N ATOM 622 CA SER A 41 -11.059 -2.946 0.337 1.00 0.00 C ATOM 623 C SER A 41 -12.072 -2.483 -0.711 1.00 0.00 C ATOM 624 O SER A 41 -12.526 -1.339 -0.679 1.00 0.00 O ATOM 625 CB SER A 41 -11.671 -4.036 1.220 1.00 0.00 C ATOM 626 OG SER A 41 -12.861 -3.593 1.868 1.00 0.00 O ATOM 0 H SER A 41 -11.163 -1.648 1.978 1.00 0.00 H new ATOM 0 HA SER A 41 -10.191 -3.370 -0.167 1.00 0.00 H new ATOM 0 HB2 SER A 41 -11.894 -4.912 0.612 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.943 -4.346 1.970 1.00 0.00 H new ATOM 0 HG SER A 41 -12.960 -4.058 2.725 1.00 0.00 H new ATOM 632 N LYS A 42 -12.397 -3.393 -1.618 1.00 0.00 N ATOM 633 CA LYS A 42 -13.348 -3.092 -2.674 1.00 0.00 C ATOM 634 C LYS A 42 -14.329 -4.256 -2.818 1.00 0.00 C ATOM 635 O LYS A 42 -14.018 -5.386 -2.441 1.00 0.00 O ATOM 636 CB LYS A 42 -12.615 -2.741 -3.971 1.00 0.00 C ATOM 637 CG LYS A 42 -11.263 -3.454 -4.046 1.00 0.00 C ATOM 638 CD LYS A 42 -10.452 -2.965 -5.248 1.00 0.00 C ATOM 639 CE LYS A 42 -11.182 -3.266 -6.559 1.00 0.00 C ATOM 640 NZ LYS A 42 -10.456 -2.672 -7.704 1.00 0.00 N ATOM 0 H LYS A 42 -12.018 -4.340 -1.643 1.00 0.00 H new ATOM 0 HA LYS A 42 -13.935 -2.210 -2.418 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.227 -3.024 -4.827 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.465 -1.663 -4.028 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.703 -3.277 -3.128 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.419 -4.530 -4.121 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.278 -1.892 -5.162 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.474 -3.447 -5.253 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.268 -4.344 -6.695 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.196 -2.868 -6.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.964 -2.885 -8.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.396 -1.641 -7.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.497 -3.072 -7.752 1.00 0.00 H new ATOM 654 N LEU A 43 -15.495 -3.942 -3.365 1.00 0.00 N ATOM 655 CA LEU A 43 -16.525 -4.949 -3.563 1.00 0.00 C ATOM 656 C LEU A 43 -16.842 -5.059 -5.056 1.00 0.00 C ATOM 657 O LEU A 43 -16.651 -4.105 -5.808 1.00 0.00 O ATOM 658 CB LEU A 43 -17.747 -4.643 -2.695 1.00 0.00 C ATOM 659 CG LEU A 43 -17.800 -5.351 -1.340 1.00 0.00 C ATOM 660 CD1 LEU A 43 -17.522 -6.848 -1.492 1.00 0.00 C ATOM 661 CD2 LEU A 43 -16.851 -4.691 -0.338 1.00 0.00 C ATOM 0 H LEU A 43 -15.749 -3.005 -3.677 1.00 0.00 H new ATOM 0 HA LEU A 43 -16.170 -5.927 -3.239 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -17.786 -3.567 -2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -18.643 -4.908 -3.257 1.00 0.00 H new ATOM 0 HG LEU A 43 -18.810 -5.250 -0.942 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -17.566 -7.327 -0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -18.271 -7.292 -2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -16.531 -6.992 -1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -16.909 -5.214 0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -15.830 -4.739 -0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -17.137 -3.649 -0.198 1.00 0.00 H new ATOM 673 N VAL A 44 -17.322 -6.234 -5.440 1.00 0.00 N ATOM 674 CA VAL A 44 -17.668 -6.481 -6.830 1.00 0.00 C ATOM 675 C VAL A 44 -18.777 -7.533 -6.894 1.00 0.00 C ATOM 676 O VAL A 44 -18.559 -8.693 -6.549 1.00 0.00 O ATOM 677 CB VAL A 44 -16.419 -6.881 -7.617 1.00 0.00 C ATOM 678 CG1 VAL A 44 -16.778 -7.277 -9.050 1.00 0.00 C ATOM 679 CG2 VAL A 44 -15.379 -5.759 -7.602 1.00 0.00 C ATOM 0 H VAL A 44 -17.479 -7.024 -4.814 1.00 0.00 H new ATOM 0 HA VAL A 44 -18.052 -5.573 -7.296 1.00 0.00 H new ATOM 0 HB VAL A 44 -15.980 -7.751 -7.129 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -15.872 -7.557 -9.588 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -17.466 -8.123 -9.032 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -17.252 -6.434 -9.552 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -14.501 -6.069 -8.169 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -15.804 -4.863 -8.054 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -15.090 -5.545 -6.573 1.00 0.00 H new ATOM 689 N PRO A 45 -19.975 -7.077 -7.351 1.00 0.00 N ATOM 690 CA PRO A 45 -21.119 -7.966 -7.465 1.00 0.00 C ATOM 691 C PRO A 45 -20.973 -8.895 -8.672 1.00 0.00 C ATOM 692 O PRO A 45 -20.541 -8.467 -9.741 1.00 0.00 O ATOM 693 CB PRO A 45 -22.324 -7.045 -7.567 1.00 0.00 C ATOM 694 CG PRO A 45 -21.777 -5.686 -7.973 1.00 0.00 C ATOM 695 CD PRO A 45 -20.271 -5.710 -7.769 1.00 0.00 C ATOM 0 HA PRO A 45 -21.218 -8.636 -6.611 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -23.037 -7.415 -8.304 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -22.851 -6.985 -6.615 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -22.018 -5.473 -9.015 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -22.231 -4.897 -7.373 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -19.743 -5.454 -8.687 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -19.962 -4.989 -7.012 1.00 0.00 H new ATOM 703 N VAL A 46 -21.342 -10.150 -8.460 1.00 0.00 N ATOM 704 CA VAL A 46 -21.257 -11.144 -9.517 1.00 0.00 C ATOM 705 C VAL A 46 -22.576 -11.171 -10.292 1.00 0.00 C ATOM 706 O VAL A 46 -23.313 -10.186 -10.305 1.00 0.00 O ATOM 707 CB VAL A 46 -20.882 -12.504 -8.927 1.00 0.00 C ATOM 708 CG1 VAL A 46 -22.123 -13.244 -8.421 1.00 0.00 C ATOM 709 CG2 VAL A 46 -20.116 -13.351 -9.946 1.00 0.00 C ATOM 0 H VAL A 46 -21.700 -10.501 -7.572 1.00 0.00 H new ATOM 0 HA VAL A 46 -20.470 -10.884 -10.224 1.00 0.00 H new ATOM 0 HB VAL A 46 -20.225 -12.330 -8.075 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -21.828 -14.208 -8.007 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -22.610 -12.650 -7.648 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -22.815 -13.401 -9.248 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -19.861 -14.313 -9.501 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -20.738 -13.512 -10.827 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -19.202 -12.832 -10.237 1.00 0.00 H new ATOM 719 N GLY A 47 -22.834 -12.309 -10.919 1.00 0.00 N ATOM 720 CA GLY A 47 -24.051 -12.477 -11.694 1.00 0.00 C ATOM 721 C GLY A 47 -24.867 -13.667 -11.183 1.00 0.00 C ATOM 722 O GLY A 47 -24.905 -14.718 -11.820 1.00 0.00 O ATOM 0 H GLY A 47 -22.221 -13.124 -10.906 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -24.651 -11.569 -11.637 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -23.800 -12.628 -12.744 1.00 0.00 H new ATOM 726 N TYR A 48 -25.499 -13.460 -10.037 1.00 0.00 N ATOM 727 CA TYR A 48 -26.312 -14.502 -9.432 1.00 0.00 C ATOM 728 C TYR A 48 -26.852 -14.056 -8.072 1.00 0.00 C ATOM 729 O TYR A 48 -27.960 -14.427 -7.688 1.00 0.00 O ATOM 730 CB TYR A 48 -25.381 -15.699 -9.230 1.00 0.00 C ATOM 731 CG TYR A 48 -25.967 -17.031 -9.703 1.00 0.00 C ATOM 732 CD1 TYR A 48 -27.240 -17.401 -9.315 1.00 0.00 C ATOM 733 CD2 TYR A 48 -25.226 -17.862 -10.518 1.00 0.00 C ATOM 734 CE1 TYR A 48 -27.793 -18.654 -9.760 1.00 0.00 C ATOM 735 CE2 TYR A 48 -25.778 -19.115 -10.963 1.00 0.00 C ATOM 736 CZ TYR A 48 -27.035 -19.449 -10.561 1.00 0.00 C ATOM 737 OH TYR A 48 -27.556 -20.632 -10.982 1.00 0.00 O ATOM 0 H TYR A 48 -25.465 -12.586 -9.511 1.00 0.00 H new ATOM 0 HA TYR A 48 -27.166 -14.739 -10.066 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -24.448 -15.515 -9.763 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -25.133 -15.779 -8.172 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -27.821 -16.750 -8.678 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -24.231 -17.572 -10.822 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -28.787 -18.955 -9.464 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -25.208 -19.775 -11.601 1.00 0.00 H new ATOM 0 HH TYR A 48 -26.903 -21.094 -11.548 1.00 0.00 H new ATOM 747 N GLY A 49 -26.044 -13.266 -7.380 1.00 0.00 N ATOM 748 CA GLY A 49 -26.426 -12.767 -6.071 1.00 0.00 C ATOM 749 C GLY A 49 -25.223 -12.724 -5.127 1.00 0.00 C ATOM 750 O GLY A 49 -25.289 -12.120 -4.057 1.00 0.00 O ATOM 0 H GLY A 49 -25.126 -12.959 -7.702 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -26.852 -11.768 -6.169 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -27.202 -13.404 -5.647 1.00 0.00 H new ATOM 754 N ILE A 50 -24.151 -13.373 -5.556 1.00 0.00 N ATOM 755 CA ILE A 50 -22.935 -13.417 -4.763 1.00 0.00 C ATOM 756 C ILE A 50 -22.109 -12.157 -5.031 1.00 0.00 C ATOM 757 O ILE A 50 -22.358 -11.444 -6.003 1.00 0.00 O ATOM 758 CB ILE A 50 -22.173 -14.719 -5.022 1.00 0.00 C ATOM 759 CG1 ILE A 50 -22.661 -15.834 -4.097 1.00 0.00 C ATOM 760 CG2 ILE A 50 -20.662 -14.501 -4.909 1.00 0.00 C ATOM 761 CD1 ILE A 50 -23.328 -16.956 -4.896 1.00 0.00 C ATOM 0 H ILE A 50 -24.099 -13.873 -6.443 1.00 0.00 H new ATOM 0 HA ILE A 50 -23.174 -13.421 -3.700 1.00 0.00 H new ATOM 0 HB ILE A 50 -22.378 -15.037 -6.044 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -21.821 -16.236 -3.531 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -23.368 -15.428 -3.373 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -20.144 -15.441 -5.097 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -20.346 -13.759 -5.642 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -20.419 -14.147 -3.907 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -23.666 -17.737 -4.214 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -24.182 -16.556 -5.442 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -22.611 -17.376 -5.602 1.00 0.00 H new ATOM 773 N LYS A 51 -21.145 -11.921 -4.155 1.00 0.00 N ATOM 774 CA LYS A 51 -20.282 -10.760 -4.285 1.00 0.00 C ATOM 775 C LYS A 51 -18.823 -11.194 -4.135 1.00 0.00 C ATOM 776 O LYS A 51 -18.540 -12.250 -3.571 1.00 0.00 O ATOM 777 CB LYS A 51 -20.702 -9.667 -3.300 1.00 0.00 C ATOM 778 CG LYS A 51 -21.896 -8.874 -3.836 1.00 0.00 C ATOM 779 CD LYS A 51 -23.191 -9.291 -3.137 1.00 0.00 C ATOM 780 CE LYS A 51 -23.668 -8.202 -2.174 1.00 0.00 C ATOM 781 NZ LYS A 51 -23.938 -8.775 -0.836 1.00 0.00 N ATOM 0 H LYS A 51 -20.942 -12.515 -3.351 1.00 0.00 H new ATOM 0 HA LYS A 51 -20.384 -10.320 -5.277 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.960 -10.116 -2.341 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.864 -8.993 -3.121 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -21.725 -7.808 -3.687 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -21.991 -9.034 -4.910 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -23.963 -9.488 -3.881 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -23.031 -10.220 -2.590 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -22.912 -7.421 -2.096 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -24.571 -7.733 -2.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -24.261 -8.022 -0.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -24.676 -9.504 -0.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -23.068 -9.201 -0.459 1.00 0.00 H new ATOM 795 N LYS A 52 -17.933 -10.358 -4.650 1.00 0.00 N ATOM 796 CA LYS A 52 -16.510 -10.642 -4.581 1.00 0.00 C ATOM 797 C LYS A 52 -15.963 -10.162 -3.234 1.00 0.00 C ATOM 798 O LYS A 52 -16.506 -9.235 -2.636 1.00 0.00 O ATOM 799 CB LYS A 52 -15.785 -10.045 -5.787 1.00 0.00 C ATOM 800 CG LYS A 52 -15.025 -11.125 -6.561 1.00 0.00 C ATOM 801 CD LYS A 52 -14.683 -10.649 -7.974 1.00 0.00 C ATOM 802 CE LYS A 52 -14.364 -11.833 -8.888 1.00 0.00 C ATOM 803 NZ LYS A 52 -14.375 -11.411 -10.307 1.00 0.00 N ATOM 0 H LYS A 52 -18.171 -9.483 -5.117 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.333 -11.716 -4.633 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.506 -9.560 -6.445 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -15.090 -9.275 -5.453 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -14.109 -11.383 -6.029 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.628 -12.031 -6.615 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.520 -10.084 -8.384 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.829 -9.973 -7.937 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -13.387 -12.244 -8.632 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -15.095 -12.627 -8.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.157 -12.227 -10.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -15.315 -11.040 -10.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.661 -10.669 -10.454 1.00 0.00 H new ATOM 817 N LEU A 53 -14.897 -10.815 -2.799 1.00 0.00 N ATOM 818 CA LEU A 53 -14.270 -10.467 -1.535 1.00 0.00 C ATOM 819 C LEU A 53 -12.855 -9.948 -1.798 1.00 0.00 C ATOM 820 O LEU A 53 -11.875 -10.602 -1.445 1.00 0.00 O ATOM 821 CB LEU A 53 -14.322 -11.650 -0.566 1.00 0.00 C ATOM 822 CG LEU A 53 -14.816 -11.338 0.847 1.00 0.00 C ATOM 823 CD1 LEU A 53 -13.711 -10.691 1.684 1.00 0.00 C ATOM 824 CD2 LEU A 53 -16.082 -10.480 0.809 1.00 0.00 C ATOM 0 H LEU A 53 -14.451 -11.584 -3.299 1.00 0.00 H new ATOM 0 HA LEU A 53 -14.819 -9.662 -1.047 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -14.968 -12.417 -0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -13.323 -12.079 -0.494 1.00 0.00 H new ATOM 0 HG LEU A 53 -15.079 -12.278 1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -14.089 -10.479 2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.862 -11.371 1.753 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.394 -9.761 1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -16.412 -10.273 1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -15.870 -9.541 0.298 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -16.868 -11.014 0.275 1.00 0.00 H new ATOM 836 N GLN A 54 -12.792 -8.778 -2.416 1.00 0.00 N ATOM 837 CA GLN A 54 -11.514 -8.164 -2.730 1.00 0.00 C ATOM 838 C GLN A 54 -11.122 -7.166 -1.639 1.00 0.00 C ATOM 839 O GLN A 54 -11.985 -6.550 -1.016 1.00 0.00 O ATOM 840 CB GLN A 54 -11.552 -7.488 -4.102 1.00 0.00 C ATOM 841 CG GLN A 54 -10.846 -8.345 -5.154 1.00 0.00 C ATOM 842 CD GLN A 54 -10.423 -7.499 -6.357 1.00 0.00 C ATOM 843 OE1 GLN A 54 -11.068 -6.532 -6.727 1.00 0.00 O ATOM 844 NE2 GLN A 54 -9.305 -7.914 -6.944 1.00 0.00 N ATOM 0 H GLN A 54 -13.607 -8.238 -2.708 1.00 0.00 H new ATOM 0 HA GLN A 54 -10.757 -8.947 -2.768 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -12.587 -7.319 -4.400 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -11.074 -6.510 -4.043 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.970 -8.820 -4.713 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -11.510 -9.144 -5.483 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.813 -8.732 -6.584 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.939 -7.415 -7.755 1.00 0.00 H new ATOM 853 N ILE A 55 -9.818 -7.037 -1.440 1.00 0.00 N ATOM 854 CA ILE A 55 -9.300 -6.125 -0.434 1.00 0.00 C ATOM 855 C ILE A 55 -7.908 -5.648 -0.853 1.00 0.00 C ATOM 856 O ILE A 55 -7.237 -6.303 -1.649 1.00 0.00 O ATOM 857 CB ILE A 55 -9.336 -6.776 0.950 1.00 0.00 C ATOM 858 CG1 ILE A 55 -7.977 -7.380 1.308 1.00 0.00 C ATOM 859 CG2 ILE A 55 -10.462 -7.807 1.041 1.00 0.00 C ATOM 860 CD1 ILE A 55 -7.682 -8.614 0.452 1.00 0.00 C ATOM 0 H ILE A 55 -9.105 -7.549 -1.959 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.932 -5.240 -0.361 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.548 -6.001 1.686 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.194 -6.636 1.161 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.963 -7.653 2.363 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -10.466 -8.255 2.035 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.419 -7.318 0.860 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.305 -8.584 0.293 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.710 -9.024 0.727 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.453 -9.366 0.620 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.672 -8.333 -0.601 1.00 0.00 H new ATOM 872 N GLN A 56 -7.515 -4.511 -0.298 1.00 0.00 N ATOM 873 CA GLN A 56 -6.215 -3.939 -0.605 1.00 0.00 C ATOM 874 C GLN A 56 -5.439 -3.666 0.686 1.00 0.00 C ATOM 875 O GLN A 56 -6.025 -3.293 1.700 1.00 0.00 O ATOM 876 CB GLN A 56 -6.360 -2.663 -1.436 1.00 0.00 C ATOM 877 CG GLN A 56 -4.991 -2.127 -1.861 1.00 0.00 C ATOM 878 CD GLN A 56 -4.484 -2.848 -3.111 1.00 0.00 C ATOM 879 OE1 GLN A 56 -5.004 -2.690 -4.204 1.00 0.00 O ATOM 880 NE2 GLN A 56 -3.442 -3.644 -2.892 1.00 0.00 N ATOM 0 H GLN A 56 -8.074 -3.971 0.362 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.653 -4.659 -1.200 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.965 -2.867 -2.319 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.887 -1.905 -0.856 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.060 -1.057 -2.057 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.277 -2.257 -1.047 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.055 -3.731 -1.952 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -3.029 -4.168 -3.664 1.00 0.00 H new ATOM 889 N CYS A 57 -4.131 -3.865 0.604 1.00 0.00 N ATOM 890 CA CYS A 57 -3.268 -3.645 1.752 1.00 0.00 C ATOM 891 C CYS A 57 -1.990 -2.957 1.268 1.00 0.00 C ATOM 892 O CYS A 57 -1.894 -2.563 0.107 1.00 0.00 O ATOM 893 CB CYS A 57 -2.968 -4.950 2.493 1.00 0.00 C ATOM 894 SG CYS A 57 -2.167 -6.143 1.358 1.00 0.00 S ATOM 0 H CYS A 57 -3.649 -4.176 -0.239 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.774 -3.003 2.473 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.318 -4.753 3.345 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.891 -5.374 2.888 1.00 0.00 H new ATOM 0 HG CYS A 57 -2.580 -5.931 0.144 1.00 0.00 H new ATOM 900 N VAL A 58 -1.040 -2.832 2.183 1.00 0.00 N ATOM 901 CA VAL A 58 0.228 -2.198 1.864 1.00 0.00 C ATOM 902 C VAL A 58 1.355 -2.917 2.609 1.00 0.00 C ATOM 903 O VAL A 58 1.598 -2.648 3.784 1.00 0.00 O ATOM 904 CB VAL A 58 0.161 -0.704 2.182 1.00 0.00 C ATOM 905 CG1 VAL A 58 1.535 -0.049 2.034 1.00 0.00 C ATOM 906 CG2 VAL A 58 -0.878 -0.002 1.305 1.00 0.00 C ATOM 0 H VAL A 58 -1.123 -3.159 3.146 1.00 0.00 H new ATOM 0 HA VAL A 58 0.438 -2.281 0.798 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.151 -0.597 3.221 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.459 1.013 2.266 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.239 -0.521 2.720 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.888 -0.172 1.010 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.905 1.059 1.552 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.610 -0.124 0.255 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.860 -0.441 1.482 1.00 0.00 H new ATOM 916 N VAL A 59 2.012 -3.818 1.893 1.00 0.00 N ATOM 917 CA VAL A 59 3.107 -4.579 2.472 1.00 0.00 C ATOM 918 C VAL A 59 4.400 -3.768 2.360 1.00 0.00 C ATOM 919 O VAL A 59 4.458 -2.785 1.622 1.00 0.00 O ATOM 920 CB VAL A 59 3.201 -5.952 1.803 1.00 0.00 C ATOM 921 CG1 VAL A 59 1.813 -6.484 1.446 1.00 0.00 C ATOM 922 CG2 VAL A 59 4.104 -5.899 0.569 1.00 0.00 C ATOM 0 H VAL A 59 1.808 -4.038 0.918 1.00 0.00 H new ATOM 0 HA VAL A 59 2.928 -4.761 3.532 1.00 0.00 H new ATOM 0 HB VAL A 59 3.650 -6.643 2.517 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.909 -7.461 0.972 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.215 -6.578 2.352 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.324 -5.793 0.759 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.154 -6.887 0.112 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.697 -5.187 -0.149 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.105 -5.585 0.864 1.00 0.00 H new ATOM 932 N GLU A 60 5.406 -4.211 3.101 1.00 0.00 N ATOM 933 CA GLU A 60 6.694 -3.539 3.093 1.00 0.00 C ATOM 934 C GLU A 60 7.612 -4.166 2.042 1.00 0.00 C ATOM 935 O GLU A 60 8.189 -5.228 2.271 1.00 0.00 O ATOM 936 CB GLU A 60 7.340 -3.578 4.480 1.00 0.00 C ATOM 937 CG GLU A 60 8.861 -3.453 4.379 1.00 0.00 C ATOM 938 CD GLU A 60 9.430 -2.695 5.581 1.00 0.00 C ATOM 939 OE1 GLU A 60 9.165 -1.434 5.605 1.00 0.00 O ATOM 940 OE2 GLU A 60 10.090 -3.300 6.438 1.00 0.00 O ATOM 0 H GLU A 60 5.355 -5.027 3.711 1.00 0.00 H new ATOM 0 HA GLU A 60 6.536 -2.493 2.831 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.945 -2.768 5.092 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.080 -4.511 4.980 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.308 -4.446 4.326 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.126 -2.934 3.458 1.00 0.00 H new ATOM 947 N ASP A 61 7.719 -3.482 0.912 1.00 0.00 N ATOM 948 CA ASP A 61 8.558 -3.958 -0.174 1.00 0.00 C ATOM 949 C ASP A 61 8.162 -5.393 -0.527 1.00 0.00 C ATOM 950 O ASP A 61 7.301 -5.612 -1.377 1.00 0.00 O ATOM 951 CB ASP A 61 10.034 -3.960 0.229 1.00 0.00 C ATOM 952 CG ASP A 61 10.938 -4.841 -0.634 1.00 0.00 C ATOM 953 OD1 ASP A 61 10.778 -4.913 -1.861 1.00 0.00 O ATOM 954 OD2 ASP A 61 11.854 -5.481 0.013 1.00 0.00 O ATOM 0 H ASP A 61 7.238 -2.602 0.725 1.00 0.00 H new ATOM 0 HA ASP A 61 8.418 -3.291 -1.025 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.407 -2.936 0.192 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.112 -4.290 1.265 1.00 0.00 H new ATOM 959 N ASP A 62 8.810 -6.334 0.145 1.00 0.00 N ATOM 960 CA ASP A 62 8.537 -7.742 -0.087 1.00 0.00 C ATOM 961 C ASP A 62 8.833 -8.531 1.190 1.00 0.00 C ATOM 962 O ASP A 62 9.110 -9.729 1.133 1.00 0.00 O ATOM 963 CB ASP A 62 9.422 -8.298 -1.204 1.00 0.00 C ATOM 964 CG ASP A 62 8.761 -9.360 -2.085 1.00 0.00 C ATOM 965 OD1 ASP A 62 7.981 -8.897 -3.002 1.00 0.00 O ATOM 966 OD2 ASP A 62 8.981 -10.567 -1.905 1.00 0.00 O ATOM 0 H ASP A 62 9.523 -6.148 0.850 1.00 0.00 H new ATOM 0 HA ASP A 62 7.490 -7.840 -0.375 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.744 -7.471 -1.837 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.320 -8.726 -0.757 1.00 0.00 H new ATOM 971 N LYS A 63 8.764 -7.829 2.311 1.00 0.00 N ATOM 972 CA LYS A 63 9.022 -8.450 3.599 1.00 0.00 C ATOM 973 C LYS A 63 7.734 -9.093 4.118 1.00 0.00 C ATOM 974 O LYS A 63 7.768 -10.167 4.715 1.00 0.00 O ATOM 975 CB LYS A 63 9.637 -7.437 4.568 1.00 0.00 C ATOM 976 CG LYS A 63 11.165 -7.513 4.543 1.00 0.00 C ATOM 977 CD LYS A 63 11.771 -6.199 4.046 1.00 0.00 C ATOM 978 CE LYS A 63 12.735 -5.615 5.080 1.00 0.00 C ATOM 979 NZ LYS A 63 14.082 -5.442 4.491 1.00 0.00 N ATOM 0 H LYS A 63 8.533 -6.836 2.354 1.00 0.00 H new ATOM 0 HA LYS A 63 9.758 -9.247 3.497 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.315 -6.431 4.301 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.276 -7.629 5.578 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.538 -7.734 5.543 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.482 -8.331 3.896 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.298 -6.369 3.107 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.976 -5.483 3.839 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.360 -4.655 5.434 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.792 -6.274 5.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.725 -5.045 5.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.444 -6.364 4.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.025 -4.795 3.679 1.00 0.00 H new ATOM 993 N VAL A 64 6.627 -8.407 3.870 1.00 0.00 N ATOM 994 CA VAL A 64 5.330 -8.898 4.304 1.00 0.00 C ATOM 995 C VAL A 64 4.518 -9.331 3.081 1.00 0.00 C ATOM 996 O VAL A 64 4.478 -8.623 2.076 1.00 0.00 O ATOM 997 CB VAL A 64 4.622 -7.834 5.145 1.00 0.00 C ATOM 998 CG1 VAL A 64 3.193 -8.262 5.482 1.00 0.00 C ATOM 999 CG2 VAL A 64 5.415 -7.523 6.416 1.00 0.00 C ATOM 0 H VAL A 64 6.602 -7.516 3.374 1.00 0.00 H new ATOM 0 HA VAL A 64 5.447 -9.773 4.943 1.00 0.00 H new ATOM 0 HB VAL A 64 4.567 -6.921 4.552 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.713 -7.488 6.080 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.630 -8.409 4.560 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.216 -9.194 6.046 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.890 -6.764 6.996 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.516 -8.430 7.013 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.404 -7.154 6.146 1.00 0.00 H new ATOM 1009 N GLY A 65 3.892 -10.491 3.207 1.00 0.00 N ATOM 1010 CA GLY A 65 3.083 -11.027 2.125 1.00 0.00 C ATOM 1011 C GLY A 65 1.777 -11.620 2.658 1.00 0.00 C ATOM 1012 O GLY A 65 1.555 -11.657 3.867 1.00 0.00 O ATOM 0 H GLY A 65 3.928 -11.076 4.042 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.862 -10.238 1.406 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.644 -11.795 1.592 1.00 0.00 H new ATOM 1016 N THR A 66 0.946 -12.067 1.729 1.00 0.00 N ATOM 1017 CA THR A 66 -0.333 -12.656 2.090 1.00 0.00 C ATOM 1018 C THR A 66 -0.135 -14.079 2.618 1.00 0.00 C ATOM 1019 O THR A 66 -0.837 -15.001 2.206 1.00 0.00 O ATOM 1020 CB THR A 66 -1.249 -12.585 0.866 1.00 0.00 C ATOM 1021 OG1 THR A 66 -2.484 -13.125 1.326 1.00 0.00 O ATOM 1022 CG2 THR A 66 -0.816 -13.541 -0.246 1.00 0.00 C ATOM 0 H THR A 66 1.133 -12.034 0.727 1.00 0.00 H new ATOM 0 HA THR A 66 -0.807 -12.104 2.902 1.00 0.00 H new ATOM 0 HB THR A 66 -1.263 -11.565 0.482 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.123 -12.398 1.477 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.499 -13.450 -1.090 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.194 -13.290 -0.569 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.834 -14.565 0.127 1.00 0.00 H new ATOM 1030 N ASP A 67 0.823 -14.211 3.523 1.00 0.00 N ATOM 1031 CA ASP A 67 1.123 -15.506 4.112 1.00 0.00 C ATOM 1032 C ASP A 67 0.389 -15.634 5.448 1.00 0.00 C ATOM 1033 O ASP A 67 -0.487 -16.486 5.600 1.00 0.00 O ATOM 1034 CB ASP A 67 2.622 -15.655 4.380 1.00 0.00 C ATOM 1035 CG ASP A 67 3.336 -14.369 4.800 1.00 0.00 C ATOM 1036 OD1 ASP A 67 3.282 -13.350 4.097 1.00 0.00 O ATOM 1037 OD2 ASP A 67 3.977 -14.441 5.917 1.00 0.00 O ATOM 0 H ASP A 67 1.402 -13.443 3.863 1.00 0.00 H new ATOM 0 HA ASP A 67 0.804 -16.278 3.412 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.763 -16.402 5.161 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.100 -16.040 3.479 1.00 0.00 H new ATOM 1042 N MET A 68 0.772 -14.777 6.383 1.00 0.00 N ATOM 1043 CA MET A 68 0.161 -14.785 7.701 1.00 0.00 C ATOM 1044 C MET A 68 -1.299 -14.332 7.632 1.00 0.00 C ATOM 1045 O MET A 68 -2.165 -14.915 8.282 1.00 0.00 O ATOM 1046 CB MET A 68 0.941 -13.853 8.631 1.00 0.00 C ATOM 1047 CG MET A 68 1.097 -14.472 10.022 1.00 0.00 C ATOM 1048 SD MET A 68 0.474 -13.350 11.263 1.00 0.00 S ATOM 1049 CE MET A 68 -1.280 -13.516 10.976 1.00 0.00 C ATOM 0 H MET A 68 1.498 -14.072 6.254 1.00 0.00 H new ATOM 0 HA MET A 68 0.188 -15.804 8.087 1.00 0.00 H new ATOM 0 HB2 MET A 68 1.924 -13.650 8.207 1.00 0.00 H new ATOM 0 HB3 MET A 68 0.424 -12.897 8.710 1.00 0.00 H new ATOM 0 HG2 MET A 68 0.557 -15.418 10.071 1.00 0.00 H new ATOM 0 HG3 MET A 68 2.147 -14.694 10.215 1.00 0.00 H new ATOM 0 HE1 MET A 68 -1.826 -12.905 11.695 1.00 0.00 H new ATOM 0 HE2 MET A 68 -1.516 -13.185 9.965 1.00 0.00 H new ATOM 0 HE3 MET A 68 -1.571 -14.560 11.093 1.00 0.00 H new ATOM 1059 N LEU A 69 -1.526 -13.296 6.838 1.00 0.00 N ATOM 1060 CA LEU A 69 -2.866 -12.757 6.675 1.00 0.00 C ATOM 1061 C LEU A 69 -3.781 -13.843 6.105 1.00 0.00 C ATOM 1062 O LEU A 69 -4.888 -14.051 6.599 1.00 0.00 O ATOM 1063 CB LEU A 69 -2.831 -11.479 5.837 1.00 0.00 C ATOM 1064 CG LEU A 69 -2.993 -11.663 4.326 1.00 0.00 C ATOM 1065 CD1 LEU A 69 -4.431 -12.047 3.971 1.00 0.00 C ATOM 1066 CD2 LEU A 69 -2.530 -10.417 3.569 1.00 0.00 C ATOM 0 H LEU A 69 -0.805 -12.815 6.300 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.280 -12.465 7.640 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.621 -10.816 6.189 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.884 -10.973 6.022 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.353 -12.487 4.012 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.518 -12.172 2.892 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.691 -12.983 4.466 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.110 -11.261 4.302 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.656 -10.574 2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.125 -9.559 3.882 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.479 -10.228 3.787 1.00 0.00 H new ATOM 1078 N GLU A 70 -3.284 -14.507 5.071 1.00 0.00 N ATOM 1079 CA GLU A 70 -4.043 -15.566 4.428 1.00 0.00 C ATOM 1080 C GLU A 70 -4.438 -16.634 5.451 1.00 0.00 C ATOM 1081 O GLU A 70 -5.618 -16.942 5.608 1.00 0.00 O ATOM 1082 CB GLU A 70 -3.254 -16.181 3.270 1.00 0.00 C ATOM 1083 CG GLU A 70 -4.063 -17.279 2.576 1.00 0.00 C ATOM 1084 CD GLU A 70 -3.158 -18.174 1.728 1.00 0.00 C ATOM 1085 OE1 GLU A 70 -2.022 -17.788 1.415 1.00 0.00 O ATOM 1086 OE2 GLU A 70 -3.673 -19.308 1.391 1.00 0.00 O ATOM 0 H GLU A 70 -2.366 -14.332 4.663 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.954 -15.133 4.014 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.995 -15.405 2.550 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.317 -16.595 3.643 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.580 -17.882 3.323 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.829 -16.828 1.945 1.00 0.00 H new ATOM 1093 N GLU A 71 -3.427 -17.169 6.119 1.00 0.00 N ATOM 1094 CA GLU A 71 -3.654 -18.195 7.122 1.00 0.00 C ATOM 1095 C GLU A 71 -4.611 -17.682 8.200 1.00 0.00 C ATOM 1096 O GLU A 71 -5.164 -18.467 8.968 1.00 0.00 O ATOM 1097 CB GLU A 71 -2.332 -18.659 7.739 1.00 0.00 C ATOM 1098 CG GLU A 71 -1.507 -19.460 6.731 1.00 0.00 C ATOM 1099 CD GLU A 71 -1.694 -20.965 6.940 1.00 0.00 C ATOM 1100 OE1 GLU A 71 -1.176 -21.523 7.918 1.00 0.00 O ATOM 1101 OE2 GLU A 71 -2.408 -21.555 6.042 1.00 0.00 O ATOM 0 H GLU A 71 -2.449 -16.911 5.985 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.114 -19.056 6.636 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.761 -17.794 8.076 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.532 -19.271 8.618 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.804 -19.191 5.717 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.453 -19.203 6.833 1.00 0.00 H new ATOM 1108 N GLN A 72 -4.779 -16.369 8.221 1.00 0.00 N ATOM 1109 CA GLN A 72 -5.660 -15.741 9.190 1.00 0.00 C ATOM 1110 C GLN A 72 -7.045 -15.514 8.580 1.00 0.00 C ATOM 1111 O GLN A 72 -8.060 -15.821 9.203 1.00 0.00 O ATOM 1112 CB GLN A 72 -5.065 -14.429 9.704 1.00 0.00 C ATOM 1113 CG GLN A 72 -5.910 -13.853 10.843 1.00 0.00 C ATOM 1114 CD GLN A 72 -5.035 -13.494 12.046 1.00 0.00 C ATOM 1115 OE1 GLN A 72 -3.855 -13.797 12.102 1.00 0.00 O ATOM 1116 NE2 GLN A 72 -5.678 -12.832 13.004 1.00 0.00 N ATOM 0 H GLN A 72 -4.319 -15.721 7.581 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.766 -16.411 10.043 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -4.046 -14.599 10.052 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -5.007 -13.708 8.889 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -6.439 -12.966 10.496 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -6.667 -14.578 11.142 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.667 -12.609 12.894 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -5.182 -12.547 13.848 1.00 0.00 H new ATOM 1125 N ILE A 73 -7.042 -14.977 7.369 1.00 0.00 N ATOM 1126 CA ILE A 73 -8.285 -14.705 6.668 1.00 0.00 C ATOM 1127 C ILE A 73 -8.873 -16.020 6.151 1.00 0.00 C ATOM 1128 O ILE A 73 -9.993 -16.384 6.505 1.00 0.00 O ATOM 1129 CB ILE A 73 -8.065 -13.659 5.573 1.00 0.00 C ATOM 1130 CG1 ILE A 73 -7.474 -12.373 6.155 1.00 0.00 C ATOM 1131 CG2 ILE A 73 -9.356 -13.397 4.797 1.00 0.00 C ATOM 1132 CD1 ILE A 73 -7.250 -11.328 5.059 1.00 0.00 C ATOM 0 H ILE A 73 -6.198 -14.723 6.855 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.018 -14.272 7.349 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.339 -14.055 4.863 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -8.145 -11.971 6.914 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.529 -12.594 6.650 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -9.171 -12.650 4.025 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.695 -14.323 4.332 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -10.123 -13.031 5.480 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.829 -10.424 5.499 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.560 -11.724 4.314 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.201 -11.091 4.582 1.00 0.00 H new ATOM 1144 N THR A 74 -8.090 -16.698 5.324 1.00 0.00 N ATOM 1145 CA THR A 74 -8.519 -17.964 4.757 1.00 0.00 C ATOM 1146 C THR A 74 -8.638 -19.027 5.852 1.00 0.00 C ATOM 1147 O THR A 74 -9.134 -20.124 5.605 1.00 0.00 O ATOM 1148 CB THR A 74 -7.537 -18.343 3.647 1.00 0.00 C ATOM 1149 OG1 THR A 74 -6.380 -18.795 4.347 1.00 0.00 O ATOM 1150 CG2 THR A 74 -7.044 -17.126 2.862 1.00 0.00 C ATOM 0 H THR A 74 -7.161 -16.394 5.033 1.00 0.00 H new ATOM 0 HA THR A 74 -9.513 -17.883 4.317 1.00 0.00 H new ATOM 0 HB THR A 74 -8.014 -19.047 2.965 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.216 -18.212 5.118 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.350 -17.450 2.087 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.893 -16.622 2.401 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.537 -16.438 3.538 1.00 0.00 H new ATOM 1158 N ALA A 75 -8.173 -18.662 7.038 1.00 0.00 N ATOM 1159 CA ALA A 75 -8.220 -19.570 8.171 1.00 0.00 C ATOM 1160 C ALA A 75 -9.653 -20.073 8.356 1.00 0.00 C ATOM 1161 O ALA A 75 -9.875 -21.110 8.980 1.00 0.00 O ATOM 1162 CB ALA A 75 -7.686 -18.861 9.417 1.00 0.00 C ATOM 0 H ALA A 75 -7.762 -17.750 7.239 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.585 -20.438 7.993 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.721 -19.543 10.267 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.656 -18.549 9.245 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.300 -17.985 9.628 1.00 0.00 H new ATOM 1168 N PHE A 76 -10.588 -19.316 7.803 1.00 0.00 N ATOM 1169 CA PHE A 76 -11.994 -19.672 7.899 1.00 0.00 C ATOM 1170 C PHE A 76 -12.461 -20.408 6.642 1.00 0.00 C ATOM 1171 O PHE A 76 -12.992 -19.792 5.719 1.00 0.00 O ATOM 1172 CB PHE A 76 -12.778 -18.365 8.032 1.00 0.00 C ATOM 1173 CG PHE A 76 -13.287 -18.085 9.447 1.00 0.00 C ATOM 1174 CD1 PHE A 76 -14.262 -18.865 9.986 1.00 0.00 C ATOM 1175 CD2 PHE A 76 -12.764 -17.056 10.167 1.00 0.00 C ATOM 1176 CE1 PHE A 76 -14.734 -18.605 11.299 1.00 0.00 C ATOM 1177 CE2 PHE A 76 -13.236 -16.796 11.480 1.00 0.00 C ATOM 1178 CZ PHE A 76 -14.211 -17.577 12.019 1.00 0.00 C ATOM 0 H PHE A 76 -10.400 -18.457 7.286 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.153 -20.331 8.753 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -12.142 -17.538 7.716 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -13.628 -18.392 7.350 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -14.677 -19.682 9.415 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.989 -16.437 9.739 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -15.509 -19.224 11.726 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.821 -15.978 12.051 1.00 0.00 H new ATOM 0 HZ PHE A 76 -14.569 -17.380 13.019 1.00 0.00 H new ATOM 1188 N GLU A 77 -12.246 -21.715 6.646 1.00 0.00 N ATOM 1189 CA GLU A 77 -12.638 -22.542 5.517 1.00 0.00 C ATOM 1190 C GLU A 77 -14.160 -22.680 5.464 1.00 0.00 C ATOM 1191 O GLU A 77 -14.701 -23.271 4.531 1.00 0.00 O ATOM 1192 CB GLU A 77 -11.965 -23.914 5.583 1.00 0.00 C ATOM 1193 CG GLU A 77 -11.071 -24.146 4.364 1.00 0.00 C ATOM 1194 CD GLU A 77 -11.763 -25.050 3.341 1.00 0.00 C ATOM 1195 OE1 GLU A 77 -13.000 -25.113 3.306 1.00 0.00 O ATOM 1196 OE2 GLU A 77 -10.967 -25.703 2.562 1.00 0.00 O ATOM 0 H GLU A 77 -11.805 -22.222 7.413 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.305 -22.054 4.601 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.370 -23.988 6.494 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.725 -24.694 5.635 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -10.825 -23.190 3.902 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.131 -24.600 4.679 1.00 0.00 H new ATOM 1203 N ASP A 78 -14.809 -22.123 6.476 1.00 0.00 N ATOM 1204 CA ASP A 78 -16.259 -22.177 6.556 1.00 0.00 C ATOM 1205 C ASP A 78 -16.845 -20.896 5.959 1.00 0.00 C ATOM 1206 O ASP A 78 -17.998 -20.555 6.223 1.00 0.00 O ATOM 1207 CB ASP A 78 -16.727 -22.279 8.009 1.00 0.00 C ATOM 1208 CG ASP A 78 -17.932 -23.193 8.237 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -17.794 -24.423 8.322 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -19.066 -22.587 8.330 1.00 0.00 O ATOM 0 H ASP A 78 -14.357 -21.632 7.248 1.00 0.00 H new ATOM 0 HA ASP A 78 -16.595 -23.056 6.007 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -15.897 -22.638 8.618 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -16.975 -21.280 8.366 1.00 0.00 H new ATOM 1215 N TYR A 79 -16.026 -20.221 5.166 1.00 0.00 N ATOM 1216 CA TYR A 79 -16.449 -18.985 4.530 1.00 0.00 C ATOM 1217 C TYR A 79 -15.671 -18.741 3.235 1.00 0.00 C ATOM 1218 O TYR A 79 -16.252 -18.362 2.219 1.00 0.00 O ATOM 1219 CB TYR A 79 -16.128 -17.867 5.524 1.00 0.00 C ATOM 1220 CG TYR A 79 -17.173 -17.698 6.629 1.00 0.00 C ATOM 1221 CD1 TYR A 79 -18.488 -17.438 6.301 1.00 0.00 C ATOM 1222 CD2 TYR A 79 -16.800 -17.805 7.953 1.00 0.00 C ATOM 1223 CE1 TYR A 79 -19.471 -17.279 7.342 1.00 0.00 C ATOM 1224 CE2 TYR A 79 -17.782 -17.645 8.994 1.00 0.00 C ATOM 1225 CZ TYR A 79 -19.069 -17.390 8.636 1.00 0.00 C ATOM 1226 OH TYR A 79 -19.998 -17.240 9.619 1.00 0.00 O ATOM 0 H TYR A 79 -15.071 -20.507 4.949 1.00 0.00 H new ATOM 0 HA TYR A 79 -17.508 -19.026 4.277 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -15.160 -18.069 5.982 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -16.034 -16.927 4.980 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -18.780 -17.354 5.265 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -15.771 -18.009 8.209 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -20.504 -17.076 7.100 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -17.503 -17.726 10.034 1.00 0.00 H new ATOM 0 HH TYR A 79 -19.569 -17.346 10.494 1.00 0.00 H new ATOM 1236 N VAL A 80 -14.368 -18.966 3.315 1.00 0.00 N ATOM 1237 CA VAL A 80 -13.504 -18.775 2.163 1.00 0.00 C ATOM 1238 C VAL A 80 -13.517 -20.041 1.304 1.00 0.00 C ATOM 1239 O VAL A 80 -13.249 -21.134 1.801 1.00 0.00 O ATOM 1240 CB VAL A 80 -12.099 -18.378 2.622 1.00 0.00 C ATOM 1241 CG1 VAL A 80 -11.148 -18.253 1.430 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -12.134 -17.083 3.435 1.00 0.00 C ATOM 0 H VAL A 80 -13.890 -19.279 4.160 1.00 0.00 H new ATOM 0 HA VAL A 80 -13.872 -17.958 1.542 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.721 -19.169 3.270 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -10.157 -17.970 1.784 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.089 -19.209 0.910 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -11.520 -17.491 0.746 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -11.123 -16.823 3.749 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.541 -16.279 2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.763 -17.222 4.315 1.00 0.00 H new ATOM 1252 N GLN A 81 -13.831 -19.852 0.032 1.00 0.00 N ATOM 1253 CA GLN A 81 -13.883 -20.966 -0.900 1.00 0.00 C ATOM 1254 C GLN A 81 -12.488 -21.257 -1.458 1.00 0.00 C ATOM 1255 O GLN A 81 -12.122 -22.415 -1.651 1.00 0.00 O ATOM 1256 CB GLN A 81 -14.878 -20.691 -2.029 1.00 0.00 C ATOM 1257 CG GLN A 81 -15.197 -21.972 -2.803 1.00 0.00 C ATOM 1258 CD GLN A 81 -15.287 -21.697 -4.306 1.00 0.00 C ATOM 1259 OE1 GLN A 81 -16.342 -21.408 -4.847 1.00 0.00 O ATOM 1260 NE2 GLN A 81 -14.126 -21.802 -4.945 1.00 0.00 N ATOM 0 H GLN A 81 -14.052 -18.944 -0.376 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.229 -21.848 -0.362 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -15.796 -20.273 -1.616 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -14.466 -19.945 -2.708 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.426 -22.718 -2.612 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -16.139 -22.390 -2.449 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.281 -22.048 -4.430 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -14.081 -21.637 -5.951 1.00 0.00 H new ATOM 1269 N SER A 82 -11.747 -20.185 -1.700 1.00 0.00 N ATOM 1270 CA SER A 82 -10.400 -20.310 -2.231 1.00 0.00 C ATOM 1271 C SER A 82 -9.779 -18.925 -2.413 1.00 0.00 C ATOM 1272 O SER A 82 -10.288 -18.106 -3.178 1.00 0.00 O ATOM 1273 CB SER A 82 -10.401 -21.070 -3.558 1.00 0.00 C ATOM 1274 OG SER A 82 -10.408 -22.482 -3.366 1.00 0.00 O ATOM 0 H SER A 82 -12.054 -19.226 -1.538 1.00 0.00 H new ATOM 0 HA SER A 82 -9.802 -20.878 -1.518 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.275 -20.779 -4.141 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.522 -20.788 -4.138 1.00 0.00 H new ATOM 0 HG SER A 82 -10.885 -22.697 -2.537 1.00 0.00 H new ATOM 1280 N MET A 83 -8.685 -18.703 -1.697 1.00 0.00 N ATOM 1281 CA MET A 83 -7.989 -17.430 -1.770 1.00 0.00 C ATOM 1282 C MET A 83 -6.913 -17.456 -2.859 1.00 0.00 C ATOM 1283 O MET A 83 -6.356 -18.509 -3.162 1.00 0.00 O ATOM 1284 CB MET A 83 -7.339 -17.125 -0.419 1.00 0.00 C ATOM 1285 CG MET A 83 -6.288 -16.022 -0.552 1.00 0.00 C ATOM 1286 SD MET A 83 -4.705 -16.734 -0.965 1.00 0.00 S ATOM 1287 CE MET A 83 -3.622 -15.601 -0.110 1.00 0.00 C ATOM 0 H MET A 83 -8.264 -19.383 -1.064 1.00 0.00 H new ATOM 0 HA MET A 83 -8.714 -16.655 -2.018 1.00 0.00 H new ATOM 0 HB2 MET A 83 -8.103 -16.819 0.295 1.00 0.00 H new ATOM 0 HB3 MET A 83 -6.875 -18.028 -0.023 1.00 0.00 H new ATOM 0 HG2 MET A 83 -6.589 -15.312 -1.323 1.00 0.00 H new ATOM 0 HG3 MET A 83 -6.213 -15.465 0.382 1.00 0.00 H new ATOM 0 HE1 MET A 83 -2.703 -16.116 0.169 1.00 0.00 H new ATOM 0 HE2 MET A 83 -3.384 -14.762 -0.764 1.00 0.00 H new ATOM 0 HE3 MET A 83 -4.117 -15.232 0.788 1.00 0.00 H new ATOM 1297 N ASP A 84 -6.655 -16.282 -3.418 1.00 0.00 N ATOM 1298 CA ASP A 84 -5.657 -16.156 -4.467 1.00 0.00 C ATOM 1299 C ASP A 84 -5.103 -14.730 -4.468 1.00 0.00 C ATOM 1300 O ASP A 84 -5.424 -13.934 -3.587 1.00 0.00 O ATOM 1301 CB ASP A 84 -6.267 -16.429 -5.842 1.00 0.00 C ATOM 1302 CG ASP A 84 -6.204 -17.887 -6.301 1.00 0.00 C ATOM 1303 OD1 ASP A 84 -5.191 -18.574 -6.106 1.00 0.00 O ATOM 1304 OD2 ASP A 84 -7.268 -18.319 -6.889 1.00 0.00 O ATOM 0 H ASP A 84 -7.120 -15.410 -3.164 1.00 0.00 H new ATOM 0 HA ASP A 84 -4.868 -16.883 -4.273 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.310 -16.113 -5.829 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -5.756 -15.810 -6.579 1.00 0.00 H new ATOM 1309 N VAL A 85 -4.280 -14.450 -5.468 1.00 0.00 N ATOM 1310 CA VAL A 85 -3.679 -13.134 -5.596 1.00 0.00 C ATOM 1311 C VAL A 85 -4.353 -12.380 -6.745 1.00 0.00 C ATOM 1312 O VAL A 85 -4.816 -12.991 -7.706 1.00 0.00 O ATOM 1313 CB VAL A 85 -2.164 -13.266 -5.775 1.00 0.00 C ATOM 1314 CG1 VAL A 85 -1.824 -13.860 -7.144 1.00 0.00 C ATOM 1315 CG2 VAL A 85 -1.470 -11.918 -5.574 1.00 0.00 C ATOM 0 H VAL A 85 -4.015 -15.112 -6.197 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.837 -12.552 -4.688 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.794 -13.950 -5.012 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.742 -13.943 -7.246 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.274 -14.849 -7.234 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.214 -13.212 -7.929 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.395 -12.039 -5.706 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.847 -11.202 -6.304 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.673 -11.551 -4.568 1.00 0.00 H new ATOM 1325 N ALA A 86 -4.386 -11.062 -6.606 1.00 0.00 N ATOM 1326 CA ALA A 86 -4.995 -10.218 -7.620 1.00 0.00 C ATOM 1327 C ALA A 86 -3.896 -9.541 -8.441 1.00 0.00 C ATOM 1328 O ALA A 86 -4.129 -9.131 -9.578 1.00 0.00 O ATOM 1329 CB ALA A 86 -5.928 -9.208 -6.950 1.00 0.00 C ATOM 0 H ALA A 86 -4.001 -10.559 -5.807 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.598 -10.815 -8.305 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.385 -8.575 -7.710 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.707 -9.739 -6.404 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.357 -8.589 -6.258 1.00 0.00 H new ATOM 1335 N ALA A 87 -2.722 -9.445 -7.835 1.00 0.00 N ATOM 1336 CA ALA A 87 -1.587 -8.825 -8.497 1.00 0.00 C ATOM 1337 C ALA A 87 -0.442 -8.667 -7.494 1.00 0.00 C ATOM 1338 O ALA A 87 -0.594 -8.989 -6.317 1.00 0.00 O ATOM 1339 CB ALA A 87 -2.018 -7.489 -9.105 1.00 0.00 C ATOM 0 H ALA A 87 -2.532 -9.786 -6.893 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.227 -9.453 -9.312 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.167 -7.024 -9.602 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.813 -7.659 -9.831 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.382 -6.831 -8.316 1.00 0.00 H new ATOM 1345 N PHE A 88 0.679 -8.171 -7.998 1.00 0.00 N ATOM 1346 CA PHE A 88 1.849 -7.967 -7.161 1.00 0.00 C ATOM 1347 C PHE A 88 2.720 -6.832 -7.704 1.00 0.00 C ATOM 1348 O PHE A 88 3.512 -7.036 -8.623 1.00 0.00 O ATOM 1349 CB PHE A 88 2.653 -9.268 -7.190 1.00 0.00 C ATOM 1350 CG PHE A 88 2.970 -9.834 -5.805 1.00 0.00 C ATOM 1351 CD1 PHE A 88 2.019 -10.523 -5.118 1.00 0.00 C ATOM 1352 CD2 PHE A 88 4.202 -9.649 -5.260 1.00 0.00 C ATOM 1353 CE1 PHE A 88 2.313 -11.048 -3.832 1.00 0.00 C ATOM 1354 CE2 PHE A 88 4.497 -10.175 -3.974 1.00 0.00 C ATOM 1355 CZ PHE A 88 3.546 -10.864 -3.287 1.00 0.00 C ATOM 0 H PHE A 88 0.801 -7.905 -8.975 1.00 0.00 H new ATOM 0 HA PHE A 88 1.541 -7.702 -6.150 1.00 0.00 H new ATOM 0 HB2 PHE A 88 2.097 -10.014 -7.758 1.00 0.00 H new ATOM 0 HB3 PHE A 88 3.588 -9.094 -7.723 1.00 0.00 H new ATOM 0 HD1 PHE A 88 1.041 -10.671 -5.551 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.957 -9.102 -5.805 1.00 0.00 H new ATOM 0 HE1 PHE A 88 1.558 -11.594 -3.286 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.476 -10.028 -3.542 1.00 0.00 H new ATOM 0 HZ PHE A 88 3.770 -11.265 -2.309 1.00 0.00 H new ATOM 1365 N ASN A 89 2.543 -5.658 -7.113 1.00 0.00 N ATOM 1366 CA ASN A 89 3.303 -4.491 -7.525 1.00 0.00 C ATOM 1367 C ASN A 89 3.464 -3.545 -6.333 1.00 0.00 C ATOM 1368 O ASN A 89 2.889 -3.776 -5.270 1.00 0.00 O ATOM 1369 CB ASN A 89 2.581 -3.729 -8.638 1.00 0.00 C ATOM 1370 CG ASN A 89 3.546 -2.811 -9.391 1.00 0.00 C ATOM 1371 OD1 ASN A 89 4.558 -3.235 -9.924 1.00 0.00 O ATOM 1372 ND2 ASN A 89 3.179 -1.533 -9.404 1.00 0.00 N ATOM 0 H ASN A 89 1.884 -5.491 -6.352 1.00 0.00 H new ATOM 0 HA ASN A 89 4.272 -4.831 -7.890 1.00 0.00 H new ATOM 0 HB2 ASN A 89 2.129 -4.436 -9.334 1.00 0.00 H new ATOM 0 HB3 ASN A 89 1.770 -3.139 -8.212 1.00 0.00 H new ATOM 0 HD21 ASN A 89 3.758 -0.841 -9.880 1.00 0.00 H new ATOM 0 HD22 ASN A 89 2.319 -1.245 -8.938 1.00 0.00 H new ATOM 1379 N LYS A 90 4.251 -2.501 -6.549 1.00 0.00 N ATOM 1380 CA LYS A 90 4.495 -1.519 -5.506 1.00 0.00 C ATOM 1381 C LYS A 90 3.286 -0.589 -5.394 1.00 0.00 C ATOM 1382 O LYS A 90 2.369 -0.609 -6.211 1.00 0.00 O ATOM 1383 CB LYS A 90 5.815 -0.787 -5.759 1.00 0.00 C ATOM 1384 CG LYS A 90 6.948 -1.397 -4.932 1.00 0.00 C ATOM 1385 CD LYS A 90 8.293 -0.766 -5.296 1.00 0.00 C ATOM 1386 CE LYS A 90 8.543 0.502 -4.479 1.00 0.00 C ATOM 1387 NZ LYS A 90 9.995 0.740 -4.321 1.00 0.00 N ATOM 0 H LYS A 90 4.728 -2.314 -7.431 1.00 0.00 H new ATOM 0 HA LYS A 90 4.609 -2.009 -4.539 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.066 -0.838 -6.819 1.00 0.00 H new ATOM 0 HB3 LYS A 90 5.704 0.268 -5.508 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.748 -1.250 -3.871 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.989 -2.473 -5.102 1.00 0.00 H new ATOM 0 HD2 LYS A 90 9.095 -1.482 -5.117 1.00 0.00 H new ATOM 0 HD3 LYS A 90 8.311 -0.527 -6.359 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.080 1.357 -4.973 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.075 0.408 -3.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 10.146 1.605 -3.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 10.428 -0.068 -3.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 10.433 0.851 -5.258 1.00 0.00 H new ATOM 1401 N ILE A 91 3.307 0.240 -4.346 1.00 0.00 N ATOM 1402 CA ILE A 91 2.238 1.185 -4.096 1.00 0.00 C ATOM 1403 C ILE A 91 2.772 2.607 -4.214 1.00 0.00 C ATOM 1404 O ILE A 91 2.099 3.481 -4.756 1.00 0.00 O ATOM 1405 CB ILE A 91 1.656 0.939 -2.707 1.00 0.00 C ATOM 1406 CG1 ILE A 91 0.618 2.011 -2.393 1.00 0.00 C ATOM 1407 CG2 ILE A 91 2.773 0.992 -1.671 1.00 0.00 C ATOM 1408 CD1 ILE A 91 -0.746 1.357 -2.188 1.00 0.00 C ATOM 1409 OXT ILE A 91 3.881 2.894 -3.765 1.00 0.00 O ATOM 0 H ILE A 91 4.061 0.268 -3.659 1.00 0.00 H new ATOM 0 HA ILE A 91 1.447 1.051 -4.834 1.00 0.00 H new ATOM 0 HB ILE A 91 1.183 -0.043 -2.680 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.907 2.561 -1.497 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.568 2.733 -3.208 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.358 0.816 -0.679 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.514 0.225 -1.895 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.247 1.973 -1.697 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.487 2.124 -1.964 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.035 0.827 -3.095 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.691 0.652 -1.358 1.00 0.00 H new TER 1421 ILE A 91