USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 797 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 53 GLN : amide:sc= 0 X(o=-4,f=-4) USER MOD Set 1.2: A 69 GLN : amide:sc= -3.96! C(o=-4!,f=-4.4!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 105:sc= 1.09 USER MOD Single : A 19 CYS SG : rot -135:sc= 0.574 USER MOD Single : A 20 LYS NZ :NH3+ -139:sc= -0.909 (180deg=-1.48) USER MOD Single : A 24 SER OG : rot -56:sc= -4.32! USER MOD Single : A 27 HIS : no HE2:sc= -9.61! C(o=-9.6!,f=-11!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot 139:sc= -5.92! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 160:sc= -4.69! (180deg=-5.47!) USER MOD Single : A 55 LYS NZ :NH3+ 146:sc= -0.244 (180deg=-1.08) USER MOD Single : A 56 SER OG : rot -85:sc= 1.11 USER MOD Single : A 65 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.221) USER MOD Single : A 70 ASN :FLIP amide:sc= -14.1! C(o=-16!,f=-14!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= -0.254 USER MOD Single : A 83 THR OG1 : rot 107:sc= -0.374 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -163:sc= -0.0117 (180deg=-0.204) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl -178:sc= -8.53! (180deg=-8.67!) USER MOD Single : A 108 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.044) USER MOD ----------------------------------------------------------------- ATOM 29 N ALA A 2 4.661 -3.438 -0.060 1.00 44.23 N ATOM 30 CA ALA A 2 5.923 -3.753 0.588 1.00 43.24 C ATOM 31 C ALA A 2 6.310 -5.198 0.265 1.00 4.53 C ATOM 32 O ALA A 2 7.493 -5.531 0.217 1.00 44.12 O ATOM 33 CB ALA A 2 5.801 -3.504 2.092 1.00 10.22 C ATOM 0 HA ALA A 2 6.718 -3.107 0.215 1.00 43.24 H new ATOM 0 HB1 ALA A 2 6.748 -3.740 2.578 1.00 10.22 H new ATOM 0 HB2 ALA A 2 5.554 -2.457 2.269 1.00 10.22 H new ATOM 0 HB3 ALA A 2 5.014 -4.137 2.503 1.00 10.22 H new ATOM 39 N PHE A 3 5.291 -6.016 0.053 1.00 33.41 N ATOM 40 CA PHE A 3 5.509 -7.418 -0.263 1.00 44.42 C ATOM 41 C PHE A 3 6.090 -7.578 -1.670 1.00 33.12 C ATOM 42 O PHE A 3 6.438 -8.685 -2.079 1.00 51.40 O ATOM 43 CB PHE A 3 4.145 -8.107 -0.206 1.00 31.34 C ATOM 44 CG PHE A 3 3.798 -8.686 1.168 1.00 72.14 C ATOM 45 CD1 PHE A 3 4.337 -9.871 1.562 1.00 11.43 C ATOM 46 CD2 PHE A 3 2.950 -8.016 1.993 1.00 20.03 C ATOM 47 CE1 PHE A 3 4.015 -10.408 2.837 1.00 53.34 C ATOM 48 CE2 PHE A 3 2.628 -8.553 3.268 1.00 73.23 C ATOM 49 CZ PHE A 3 3.167 -9.738 3.662 1.00 11.24 C ATOM 0 H PHE A 3 4.311 -5.735 0.094 1.00 33.41 H new ATOM 0 HA PHE A 3 6.214 -7.854 0.445 1.00 44.42 H new ATOM 0 HB2 PHE A 3 3.375 -7.391 -0.492 1.00 31.34 H new ATOM 0 HB3 PHE A 3 4.123 -8.910 -0.943 1.00 31.34 H new ATOM 0 HD1 PHE A 3 5.010 -10.403 0.906 1.00 11.43 H new ATOM 0 HD2 PHE A 3 2.521 -7.076 1.679 1.00 20.03 H new ATOM 0 HE1 PHE A 3 4.444 -11.348 3.151 1.00 53.34 H new ATOM 0 HE2 PHE A 3 1.955 -8.021 3.924 1.00 73.23 H new ATOM 0 HZ PHE A 3 2.921 -10.147 4.631 1.00 11.24 H new ATOM 59 N ALA A 4 6.176 -6.457 -2.371 1.00 71.42 N ATOM 60 CA ALA A 4 6.708 -6.460 -3.723 1.00 41.33 C ATOM 61 C ALA A 4 8.130 -7.025 -3.706 1.00 75.43 C ATOM 62 O ALA A 4 8.653 -7.431 -4.743 1.00 54.32 O ATOM 63 CB ALA A 4 6.651 -5.042 -4.297 1.00 24.42 C ATOM 0 H ALA A 4 5.886 -5.541 -2.028 1.00 71.42 H new ATOM 0 HA ALA A 4 6.107 -7.099 -4.370 1.00 41.33 H new ATOM 0 HB1 ALA A 4 7.050 -5.044 -5.311 1.00 24.42 H new ATOM 0 HB2 ALA A 4 5.617 -4.698 -4.314 1.00 24.42 H new ATOM 0 HB3 ALA A 4 7.245 -4.373 -3.674 1.00 24.42 H new ATOM 69 N SER A 5 8.714 -7.035 -2.517 1.00 42.14 N ATOM 70 CA SER A 5 10.065 -7.544 -2.352 1.00 31.33 C ATOM 71 C SER A 5 10.021 -9.002 -1.888 1.00 44.32 C ATOM 72 O SER A 5 10.719 -9.853 -2.438 1.00 11.22 O ATOM 73 CB SER A 5 10.856 -6.694 -1.356 1.00 12.13 C ATOM 74 OG SER A 5 12.242 -7.025 -1.353 1.00 72.51 O ATOM 0 H SER A 5 8.277 -6.699 -1.659 1.00 42.14 H new ATOM 0 HA SER A 5 10.571 -7.491 -3.316 1.00 31.33 H new ATOM 0 HB2 SER A 5 10.736 -5.639 -1.604 1.00 12.13 H new ATOM 0 HB3 SER A 5 10.448 -6.835 -0.355 1.00 12.13 H new ATOM 0 HG SER A 5 12.712 -6.459 -0.705 1.00 72.51 H new ATOM 80 N VAL A 6 9.195 -9.245 -0.882 1.00 11.44 N ATOM 81 CA VAL A 6 9.051 -10.584 -0.338 1.00 21.41 C ATOM 82 C VAL A 6 8.470 -11.506 -1.412 1.00 33.23 C ATOM 83 O VAL A 6 9.117 -12.466 -1.827 1.00 73.33 O ATOM 84 CB VAL A 6 8.206 -10.544 0.937 1.00 51.11 C ATOM 85 CG1 VAL A 6 8.309 -11.863 1.705 1.00 72.10 C ATOM 86 CG2 VAL A 6 8.605 -9.361 1.822 1.00 72.41 C ATOM 0 H VAL A 6 8.618 -8.536 -0.429 1.00 11.44 H new ATOM 0 HA VAL A 6 10.023 -10.987 -0.054 1.00 21.41 H new ATOM 0 HB VAL A 6 7.165 -10.408 0.645 1.00 51.11 H new ATOM 0 HG11 VAL A 6 7.699 -11.808 2.607 1.00 72.10 H new ATOM 0 HG12 VAL A 6 7.953 -12.679 1.076 1.00 72.10 H new ATOM 0 HG13 VAL A 6 9.348 -12.044 1.980 1.00 72.10 H new ATOM 0 HG21 VAL A 6 7.989 -9.356 2.721 1.00 72.41 H new ATOM 0 HG22 VAL A 6 9.655 -9.453 2.101 1.00 72.41 H new ATOM 0 HG23 VAL A 6 8.456 -8.430 1.275 1.00 72.41 H new ATOM 96 N LEU A 7 7.255 -11.182 -1.830 1.00 62.02 N ATOM 97 CA LEU A 7 6.579 -11.969 -2.848 1.00 3.04 C ATOM 98 C LEU A 7 6.433 -11.132 -4.120 1.00 61.00 C ATOM 99 O LEU A 7 6.709 -9.933 -4.114 1.00 32.31 O ATOM 100 CB LEU A 7 5.252 -12.511 -2.312 1.00 45.02 C ATOM 101 CG LEU A 7 5.249 -12.946 -0.845 1.00 54.41 C ATOM 102 CD1 LEU A 7 3.819 -13.138 -0.334 1.00 65.42 C ATOM 103 CD2 LEU A 7 6.104 -14.198 -0.642 1.00 53.01 C ATOM 0 H LEU A 7 6.721 -10.385 -1.482 1.00 62.02 H new ATOM 0 HA LEU A 7 7.172 -12.845 -3.109 1.00 3.04 H new ATOM 0 HB2 LEU A 7 4.489 -11.744 -2.445 1.00 45.02 H new ATOM 0 HB3 LEU A 7 4.957 -13.363 -2.924 1.00 45.02 H new ATOM 0 HG LEU A 7 5.699 -12.150 -0.251 1.00 54.41 H new ATOM 0 HD11 LEU A 7 3.844 -13.447 0.711 1.00 65.42 H new ATOM 0 HD12 LEU A 7 3.272 -12.199 -0.421 1.00 65.42 H new ATOM 0 HD13 LEU A 7 3.321 -13.905 -0.927 1.00 65.42 H new ATOM 0 HD21 LEU A 7 6.084 -14.485 0.409 1.00 53.01 H new ATOM 0 HD22 LEU A 7 5.707 -15.012 -1.248 1.00 53.01 H new ATOM 0 HD23 LEU A 7 7.131 -13.990 -0.942 1.00 53.01 H new ATOM 115 N LYS A 8 6.000 -11.797 -5.181 1.00 14.12 N ATOM 116 CA LYS A 8 5.813 -11.129 -6.458 1.00 24.31 C ATOM 117 C LYS A 8 4.410 -10.521 -6.511 1.00 24.41 C ATOM 118 O LYS A 8 3.416 -11.234 -6.384 1.00 71.22 O ATOM 119 CB LYS A 8 6.112 -12.088 -7.612 1.00 63.03 C ATOM 120 CG LYS A 8 5.745 -11.458 -8.957 1.00 51.03 C ATOM 121 CD LYS A 8 6.597 -12.041 -10.087 1.00 13.13 C ATOM 122 CE LYS A 8 6.157 -13.466 -10.426 1.00 35.53 C ATOM 123 NZ LYS A 8 7.065 -14.064 -11.430 1.00 33.32 N ATOM 0 H LYS A 8 5.773 -12.791 -5.183 1.00 14.12 H new ATOM 0 HA LYS A 8 6.520 -10.307 -6.565 1.00 24.31 H new ATOM 0 HB2 LYS A 8 7.170 -12.351 -7.606 1.00 63.03 H new ATOM 0 HB3 LYS A 8 5.552 -13.013 -7.475 1.00 63.03 H new ATOM 0 HG2 LYS A 8 4.689 -11.630 -9.167 1.00 51.03 H new ATOM 0 HG3 LYS A 8 5.889 -10.379 -8.908 1.00 51.03 H new ATOM 0 HD2 LYS A 8 6.514 -11.411 -10.972 1.00 13.13 H new ATOM 0 HD3 LYS A 8 7.647 -12.041 -9.793 1.00 13.13 H new ATOM 0 HE2 LYS A 8 6.152 -14.076 -9.523 1.00 35.53 H new ATOM 0 HE3 LYS A 8 5.137 -13.456 -10.810 1.00 35.53 H new ATOM 0 HZ1 LYS A 8 6.752 -15.031 -11.649 1.00 33.32 H new ATOM 0 HZ2 LYS A 8 7.049 -13.491 -12.297 1.00 33.32 H new ATOM 0 HZ3 LYS A 8 8.033 -14.091 -11.050 1.00 33.32 H new ATOM 136 N ASP A 9 4.375 -9.210 -6.698 1.00 71.34 N ATOM 137 CA ASP A 9 3.110 -8.498 -6.770 1.00 22.42 C ATOM 138 C ASP A 9 2.173 -9.229 -7.733 1.00 54.44 C ATOM 139 O ASP A 9 0.981 -9.365 -7.462 1.00 13.14 O ATOM 140 CB ASP A 9 3.309 -7.074 -7.292 1.00 13.04 C ATOM 141 CG ASP A 9 2.218 -6.080 -6.889 1.00 11.25 C ATOM 142 OD1 ASP A 9 2.270 -4.894 -7.247 1.00 45.10 O ATOM 143 OD2 ASP A 9 1.270 -6.573 -6.165 1.00 65.54 O ATOM 0 H ASP A 9 5.202 -8.622 -6.802 1.00 71.34 H new ATOM 0 HA ASP A 9 2.687 -8.458 -5.766 1.00 22.42 H new ATOM 0 HB2 ASP A 9 4.269 -6.702 -6.933 1.00 13.04 H new ATOM 0 HB3 ASP A 9 3.366 -7.106 -8.380 1.00 13.04 H new ATOM 149 N ALA A 10 2.746 -9.679 -8.839 1.00 43.25 N ATOM 150 CA ALA A 10 1.977 -10.392 -9.845 1.00 13.40 C ATOM 151 C ALA A 10 1.450 -11.698 -9.247 1.00 2.32 C ATOM 152 O ALA A 10 0.371 -12.162 -9.613 1.00 4.33 O ATOM 153 CB ALA A 10 2.846 -10.626 -11.082 1.00 53.53 C ATOM 0 H ALA A 10 3.735 -9.564 -9.061 1.00 43.25 H new ATOM 0 HA ALA A 10 1.116 -9.802 -10.159 1.00 13.40 H new ATOM 0 HB1 ALA A 10 2.269 -11.161 -11.836 1.00 53.53 H new ATOM 0 HB2 ALA A 10 3.170 -9.667 -11.486 1.00 53.53 H new ATOM 0 HB3 ALA A 10 3.719 -11.217 -10.807 1.00 53.53 H new ATOM 159 N GLU A 11 2.236 -12.254 -8.337 1.00 5.10 N ATOM 160 CA GLU A 11 1.863 -13.497 -7.685 1.00 21.44 C ATOM 161 C GLU A 11 0.778 -13.242 -6.637 1.00 34.10 C ATOM 162 O GLU A 11 -0.337 -13.749 -6.756 1.00 42.15 O ATOM 163 CB GLU A 11 3.083 -14.175 -7.057 1.00 13.25 C ATOM 164 CG GLU A 11 3.813 -15.047 -8.080 1.00 2.33 C ATOM 165 CD GLU A 11 2.955 -16.244 -8.492 1.00 73.20 C ATOM 166 OE1 GLU A 11 1.946 -16.540 -7.834 1.00 2.12 O ATOM 167 OE2 GLU A 11 3.367 -16.877 -9.538 1.00 3.50 O ATOM 0 H GLU A 11 3.130 -11.866 -8.036 1.00 5.10 H new ATOM 0 HA GLU A 11 1.461 -14.173 -8.439 1.00 21.44 H new ATOM 0 HB2 GLU A 11 3.764 -13.418 -6.667 1.00 13.25 H new ATOM 0 HB3 GLU A 11 2.768 -14.786 -6.211 1.00 13.25 H new ATOM 0 HG2 GLU A 11 4.060 -14.452 -8.959 1.00 2.33 H new ATOM 0 HG3 GLU A 11 4.755 -15.398 -7.658 1.00 2.33 H new ATOM 175 N VAL A 12 1.141 -12.456 -5.634 1.00 21.50 N ATOM 176 CA VAL A 12 0.212 -12.128 -4.566 1.00 40.22 C ATOM 177 C VAL A 12 -1.070 -11.552 -5.171 1.00 10.22 C ATOM 178 O VAL A 12 -2.150 -11.697 -4.599 1.00 44.25 O ATOM 179 CB VAL A 12 0.879 -11.182 -3.565 1.00 54.23 C ATOM 180 CG1 VAL A 12 2.144 -11.809 -2.977 1.00 32.22 C ATOM 181 CG2 VAL A 12 1.186 -9.829 -4.211 1.00 23.23 C ATOM 0 H VAL A 12 2.066 -12.037 -5.538 1.00 21.50 H new ATOM 0 HA VAL A 12 -0.065 -13.024 -4.011 1.00 40.22 H new ATOM 0 HB VAL A 12 0.179 -11.012 -2.747 1.00 54.23 H new ATOM 0 HG11 VAL A 12 2.598 -11.116 -2.269 1.00 32.22 H new ATOM 0 HG12 VAL A 12 1.886 -12.735 -2.464 1.00 32.22 H new ATOM 0 HG13 VAL A 12 2.850 -12.023 -3.779 1.00 32.22 H new ATOM 0 HG21 VAL A 12 1.660 -9.175 -3.479 1.00 23.23 H new ATOM 0 HG22 VAL A 12 1.858 -9.974 -5.057 1.00 23.23 H new ATOM 0 HG23 VAL A 12 0.259 -9.373 -4.559 1.00 23.23 H new ATOM 191 N THR A 13 -0.909 -10.910 -6.319 1.00 24.42 N ATOM 192 CA THR A 13 -2.040 -10.312 -7.007 1.00 43.21 C ATOM 193 C THR A 13 -3.194 -11.311 -7.105 1.00 61.22 C ATOM 194 O THR A 13 -4.334 -10.983 -6.780 1.00 3.33 O ATOM 195 CB THR A 13 -1.553 -9.810 -8.368 1.00 12.20 C ATOM 196 OG1 THR A 13 -1.157 -8.464 -8.120 1.00 43.20 O ATOM 197 CG2 THR A 13 -2.689 -9.682 -9.385 1.00 60.33 C ATOM 0 H THR A 13 -0.012 -10.791 -6.790 1.00 24.42 H new ATOM 0 HA THR A 13 -2.435 -9.461 -6.453 1.00 43.21 H new ATOM 0 HB THR A 13 -0.794 -10.489 -8.755 1.00 12.20 H new ATOM 0 HG1 THR A 13 -0.179 -8.410 -8.097 1.00 43.20 H new ATOM 0 HG21 THR A 13 -2.290 -9.322 -10.333 1.00 60.33 H new ATOM 0 HG22 THR A 13 -3.156 -10.656 -9.534 1.00 60.33 H new ATOM 0 HG23 THR A 13 -3.432 -8.977 -9.013 1.00 60.33 H new ATOM 205 N ALA A 14 -2.859 -12.511 -7.555 1.00 64.43 N ATOM 206 CA ALA A 14 -3.853 -13.561 -7.700 1.00 42.04 C ATOM 207 C ALA A 14 -4.629 -13.707 -6.390 1.00 25.42 C ATOM 208 O ALA A 14 -5.805 -14.066 -6.397 1.00 60.44 O ATOM 209 CB ALA A 14 -3.165 -14.862 -8.119 1.00 42.21 C ATOM 0 H ALA A 14 -1.913 -12.780 -7.824 1.00 64.43 H new ATOM 0 HA ALA A 14 -4.570 -13.306 -8.481 1.00 42.04 H new ATOM 0 HB1 ALA A 14 -3.911 -15.649 -8.228 1.00 42.21 H new ATOM 0 HB2 ALA A 14 -2.653 -14.713 -9.070 1.00 42.21 H new ATOM 0 HB3 ALA A 14 -2.440 -15.152 -7.358 1.00 42.21 H new ATOM 215 N ALA A 15 -3.938 -13.422 -5.296 1.00 11.14 N ATOM 216 CA ALA A 15 -4.548 -13.517 -3.980 1.00 25.30 C ATOM 217 C ALA A 15 -5.374 -12.258 -3.713 1.00 52.11 C ATOM 218 O ALA A 15 -6.403 -12.317 -3.042 1.00 31.15 O ATOM 219 CB ALA A 15 -3.459 -13.734 -2.927 1.00 45.13 C ATOM 0 H ALA A 15 -2.962 -13.125 -5.294 1.00 11.14 H new ATOM 0 HA ALA A 15 -5.224 -14.371 -3.931 1.00 25.30 H new ATOM 0 HB1 ALA A 15 -3.916 -13.805 -1.940 1.00 45.13 H new ATOM 0 HB2 ALA A 15 -2.921 -14.656 -3.145 1.00 45.13 H new ATOM 0 HB3 ALA A 15 -2.763 -12.895 -2.945 1.00 45.13 H new ATOM 225 N LEU A 16 -4.893 -11.148 -4.253 1.00 13.41 N ATOM 226 CA LEU A 16 -5.575 -9.876 -4.081 1.00 50.15 C ATOM 227 C LEU A 16 -6.897 -9.903 -4.852 1.00 44.31 C ATOM 228 O LEU A 16 -7.881 -9.303 -4.423 1.00 74.25 O ATOM 229 CB LEU A 16 -4.656 -8.718 -4.476 1.00 52.13 C ATOM 230 CG LEU A 16 -3.810 -8.119 -3.351 1.00 33.12 C ATOM 231 CD1 LEU A 16 -2.577 -7.408 -3.911 1.00 12.41 C ATOM 232 CD2 LEU A 16 -4.651 -7.198 -2.464 1.00 45.43 C ATOM 0 H LEU A 16 -4.040 -11.103 -4.810 1.00 13.41 H new ATOM 0 HA LEU A 16 -5.821 -9.714 -3.032 1.00 50.15 H new ATOM 0 HB2 LEU A 16 -3.986 -9.064 -5.263 1.00 52.13 H new ATOM 0 HB3 LEU A 16 -5.268 -7.925 -4.905 1.00 52.13 H new ATOM 0 HG LEU A 16 -3.452 -8.934 -2.721 1.00 33.12 H new ATOM 0 HD11 LEU A 16 -1.993 -6.991 -3.090 1.00 12.41 H new ATOM 0 HD12 LEU A 16 -1.966 -8.121 -4.465 1.00 12.41 H new ATOM 0 HD13 LEU A 16 -2.891 -6.605 -4.577 1.00 12.41 H new ATOM 0 HD21 LEU A 16 -4.026 -6.785 -1.672 1.00 45.43 H new ATOM 0 HD22 LEU A 16 -5.058 -6.385 -3.066 1.00 45.43 H new ATOM 0 HD23 LEU A 16 -5.469 -7.767 -2.021 1.00 45.43 H new ATOM 244 N ASP A 17 -6.875 -10.604 -5.976 1.00 33.01 N ATOM 245 CA ASP A 17 -8.060 -10.717 -6.810 1.00 44.22 C ATOM 246 C ASP A 17 -9.013 -11.745 -6.198 1.00 53.22 C ATOM 247 O ASP A 17 -10.201 -11.762 -6.517 1.00 12.43 O ATOM 248 CB ASP A 17 -7.697 -11.188 -8.220 1.00 33.52 C ATOM 249 CG ASP A 17 -8.699 -10.799 -9.309 1.00 64.12 C ATOM 250 OD1 ASP A 17 -9.895 -11.111 -9.218 1.00 13.33 O ATOM 251 OD2 ASP A 17 -8.199 -10.139 -10.298 1.00 44.23 O ATOM 0 H ASP A 17 -6.056 -11.099 -6.329 1.00 33.01 H new ATOM 0 HA ASP A 17 -8.528 -9.734 -6.867 1.00 44.22 H new ATOM 0 HB2 ASP A 17 -6.721 -10.781 -8.483 1.00 33.52 H new ATOM 0 HB3 ASP A 17 -7.597 -12.273 -8.210 1.00 33.52 H new ATOM 257 N GLY A 18 -8.457 -12.577 -5.330 1.00 72.34 N ATOM 258 CA GLY A 18 -9.243 -13.606 -4.671 1.00 35.02 C ATOM 259 C GLY A 18 -10.167 -12.997 -3.614 1.00 72.00 C ATOM 260 O GLY A 18 -11.021 -13.687 -3.059 1.00 52.22 O ATOM 0 H GLY A 18 -7.471 -12.560 -5.068 1.00 72.34 H new ATOM 0 HA2 GLY A 18 -9.836 -14.145 -5.410 1.00 35.02 H new ATOM 0 HA3 GLY A 18 -8.579 -14.333 -4.203 1.00 35.02 H new ATOM 264 N CYS A 19 -9.965 -11.711 -3.367 1.00 64.14 N ATOM 265 CA CYS A 19 -10.769 -11.001 -2.387 1.00 23.40 C ATOM 266 C CYS A 19 -11.307 -9.726 -3.039 1.00 64.32 C ATOM 267 O CYS A 19 -11.592 -8.746 -2.353 1.00 23.33 O ATOM 268 CB CYS A 19 -9.974 -10.700 -1.115 1.00 22.22 C ATOM 269 SG CYS A 19 -8.277 -10.170 -1.548 1.00 64.42 S ATOM 0 H CYS A 19 -9.256 -11.142 -3.829 1.00 64.14 H new ATOM 0 HA CYS A 19 -11.604 -11.628 -2.075 1.00 23.40 H new ATOM 0 HB2 CYS A 19 -10.472 -9.919 -0.541 1.00 22.22 H new ATOM 0 HB3 CYS A 19 -9.937 -11.586 -0.481 1.00 22.22 H new ATOM 0 HG CYS A 19 -7.423 -10.780 -0.781 1.00 64.42 H new ATOM 275 N LYS A 20 -11.429 -9.780 -4.357 1.00 73.43 N ATOM 276 CA LYS A 20 -11.928 -8.642 -5.110 1.00 10.11 C ATOM 277 C LYS A 20 -13.455 -8.609 -5.024 1.00 53.12 C ATOM 278 O LYS A 20 -14.075 -7.586 -5.314 1.00 22.53 O ATOM 279 CB LYS A 20 -11.393 -8.671 -6.543 1.00 60.10 C ATOM 280 CG LYS A 20 -10.110 -7.847 -6.666 1.00 42.21 C ATOM 281 CD LYS A 20 -10.395 -6.356 -6.475 1.00 14.12 C ATOM 282 CE LYS A 20 -11.646 -5.934 -7.249 1.00 2.52 C ATOM 283 NZ LYS A 20 -11.574 -6.408 -8.649 1.00 23.22 N ATOM 0 H LYS A 20 -11.191 -10.594 -4.923 1.00 73.43 H new ATOM 0 HA LYS A 20 -11.564 -7.710 -4.678 1.00 10.11 H new ATOM 0 HB2 LYS A 20 -11.198 -9.701 -6.841 1.00 60.10 H new ATOM 0 HB3 LYS A 20 -12.148 -8.279 -7.225 1.00 60.10 H new ATOM 0 HG2 LYS A 20 -9.387 -8.181 -5.922 1.00 42.21 H new ATOM 0 HG3 LYS A 20 -9.660 -8.012 -7.645 1.00 42.21 H new ATOM 0 HD2 LYS A 20 -10.529 -6.140 -5.415 1.00 14.12 H new ATOM 0 HD3 LYS A 20 -9.539 -5.772 -6.814 1.00 14.12 H new ATOM 0 HE2 LYS A 20 -12.534 -6.342 -6.766 1.00 2.52 H new ATOM 0 HE3 LYS A 20 -11.743 -4.848 -7.231 1.00 2.52 H new ATOM 0 HZ1 LYS A 20 -11.926 -5.665 -9.286 1.00 23.22 H new ATOM 0 HZ2 LYS A 20 -10.587 -6.631 -8.890 1.00 23.22 H new ATOM 0 HZ3 LYS A 20 -12.158 -7.262 -8.757 1.00 23.22 H new ATOM 296 N ALA A 21 -14.018 -9.740 -4.625 1.00 53.03 N ATOM 297 CA ALA A 21 -15.461 -9.853 -4.498 1.00 33.41 C ATOM 298 C ALA A 21 -15.857 -9.657 -3.033 1.00 5.20 C ATOM 299 O ALA A 21 -15.708 -10.567 -2.219 1.00 12.22 O ATOM 300 CB ALA A 21 -15.918 -11.206 -5.049 1.00 2.15 C ATOM 0 H ALA A 21 -13.501 -10.586 -4.385 1.00 53.03 H new ATOM 0 HA ALA A 21 -15.959 -9.078 -5.081 1.00 33.41 H new ATOM 0 HB1 ALA A 21 -17.001 -11.291 -4.954 1.00 2.15 H new ATOM 0 HB2 ALA A 21 -15.639 -11.284 -6.100 1.00 2.15 H new ATOM 0 HB3 ALA A 21 -15.440 -12.008 -4.486 1.00 2.15 H new ATOM 306 N ALA A 22 -16.352 -8.463 -2.742 1.00 40.01 N ATOM 307 CA ALA A 22 -16.770 -8.135 -1.389 1.00 63.35 C ATOM 308 C ALA A 22 -17.519 -9.327 -0.789 1.00 41.41 C ATOM 309 O ALA A 22 -18.385 -9.911 -1.438 1.00 63.24 O ATOM 310 CB ALA A 22 -17.619 -6.863 -1.411 1.00 74.15 C ATOM 0 H ALA A 22 -16.473 -7.711 -3.420 1.00 40.01 H new ATOM 0 HA ALA A 22 -15.905 -7.937 -0.757 1.00 63.35 H new ATOM 0 HB1 ALA A 22 -17.932 -6.617 -0.396 1.00 74.15 H new ATOM 0 HB2 ALA A 22 -17.031 -6.040 -1.819 1.00 74.15 H new ATOM 0 HB3 ALA A 22 -18.499 -7.024 -2.034 1.00 74.15 H new ATOM 316 N GLY A 23 -17.159 -9.651 0.444 1.00 45.11 N ATOM 317 CA GLY A 23 -17.786 -10.762 1.139 1.00 1.12 C ATOM 318 C GLY A 23 -17.359 -12.100 0.532 1.00 54.10 C ATOM 319 O GLY A 23 -18.002 -13.123 0.763 1.00 64.32 O ATOM 0 H GLY A 23 -16.441 -9.163 0.980 1.00 45.11 H new ATOM 0 HA2 GLY A 23 -17.515 -10.735 2.194 1.00 1.12 H new ATOM 0 HA3 GLY A 23 -18.870 -10.664 1.085 1.00 1.12 H new ATOM 323 N SER A 24 -16.279 -12.049 -0.233 1.00 5.35 N ATOM 324 CA SER A 24 -15.759 -13.244 -0.875 1.00 3.03 C ATOM 325 C SER A 24 -14.277 -13.418 -0.536 1.00 2.24 C ATOM 326 O SER A 24 -13.587 -14.231 -1.149 1.00 52.10 O ATOM 327 CB SER A 24 -15.953 -13.183 -2.391 1.00 64.20 C ATOM 328 OG SER A 24 -14.808 -12.654 -3.055 1.00 21.21 O ATOM 0 H SER A 24 -15.749 -11.198 -0.423 1.00 5.35 H new ATOM 0 HA SER A 24 -16.314 -14.103 -0.499 1.00 3.03 H new ATOM 0 HB2 SER A 24 -16.162 -14.183 -2.770 1.00 64.20 H new ATOM 0 HB3 SER A 24 -16.822 -12.567 -2.621 1.00 64.20 H new ATOM 0 HG SER A 24 -14.595 -11.771 -2.686 1.00 21.21 H new ATOM 334 N PHE A 25 -13.831 -12.640 0.440 1.00 21.52 N ATOM 335 CA PHE A 25 -12.444 -12.698 0.868 1.00 25.22 C ATOM 336 C PHE A 25 -12.182 -13.947 1.713 1.00 43.21 C ATOM 337 O PHE A 25 -12.982 -14.292 2.581 1.00 23.12 O ATOM 338 CB PHE A 25 -12.187 -11.456 1.723 1.00 12.42 C ATOM 339 CG PHE A 25 -11.013 -11.599 2.693 1.00 25.01 C ATOM 340 CD1 PHE A 25 -9.774 -11.173 2.328 1.00 25.11 C ATOM 341 CD2 PHE A 25 -11.207 -12.152 3.920 1.00 73.40 C ATOM 342 CE1 PHE A 25 -8.683 -11.306 3.228 1.00 33.31 C ATOM 343 CE2 PHE A 25 -10.117 -12.286 4.820 1.00 50.30 C ATOM 344 CZ PHE A 25 -8.878 -11.860 4.455 1.00 50.20 C ATOM 0 H PHE A 25 -14.406 -11.966 0.946 1.00 21.52 H new ATOM 0 HA PHE A 25 -11.788 -12.736 -0.002 1.00 25.22 H new ATOM 0 HB2 PHE A 25 -12.000 -10.607 1.065 1.00 12.42 H new ATOM 0 HB3 PHE A 25 -13.088 -11.226 2.291 1.00 12.42 H new ATOM 0 HD1 PHE A 25 -9.620 -10.733 1.354 1.00 25.11 H new ATOM 0 HD2 PHE A 25 -12.191 -12.490 4.210 1.00 73.40 H new ATOM 0 HE1 PHE A 25 -7.699 -10.967 2.938 1.00 33.31 H new ATOM 0 HE2 PHE A 25 -10.272 -12.726 5.794 1.00 50.30 H new ATOM 0 HZ PHE A 25 -8.049 -11.962 5.139 1.00 50.20 H new ATOM 354 N ASP A 26 -11.059 -14.590 1.429 1.00 44.42 N ATOM 355 CA ASP A 26 -10.681 -15.792 2.152 1.00 74.44 C ATOM 356 C ASP A 26 -9.180 -15.757 2.444 1.00 11.20 C ATOM 357 O ASP A 26 -8.373 -16.182 1.619 1.00 70.10 O ATOM 358 CB ASP A 26 -10.972 -17.046 1.324 1.00 32.13 C ATOM 359 CG ASP A 26 -12.351 -17.668 1.555 1.00 1.04 C ATOM 360 OD1 ASP A 26 -13.308 -16.976 1.933 1.00 32.55 O ATOM 361 OD2 ASP A 26 -12.422 -18.936 1.328 1.00 11.20 O ATOM 0 H ASP A 26 -10.398 -14.301 0.708 1.00 44.42 H new ATOM 0 HA ASP A 26 -11.259 -15.826 3.075 1.00 74.44 H new ATOM 0 HB2 ASP A 26 -10.875 -16.796 0.267 1.00 32.13 H new ATOM 0 HB3 ASP A 26 -10.211 -17.794 1.546 1.00 32.13 H new ATOM 367 N HIS A 27 -8.851 -15.245 3.621 1.00 21.31 N ATOM 368 CA HIS A 27 -7.461 -15.149 4.033 1.00 42.53 C ATOM 369 C HIS A 27 -6.709 -16.410 3.602 1.00 50.52 C ATOM 370 O HIS A 27 -5.747 -16.333 2.839 1.00 2.03 O ATOM 371 CB HIS A 27 -7.357 -14.881 5.535 1.00 4.54 C ATOM 372 CG HIS A 27 -8.028 -15.926 6.394 1.00 52.13 C ATOM 373 ND1 HIS A 27 -7.375 -17.061 6.841 1.00 0.14 N ATOM 374 CD2 HIS A 27 -9.300 -15.996 6.882 1.00 41.32 C ATOM 375 CE1 HIS A 27 -8.225 -17.775 7.565 1.00 50.14 C ATOM 376 NE2 HIS A 27 -9.418 -17.113 7.588 1.00 64.30 N ATOM 0 H HIS A 27 -9.523 -14.892 4.302 1.00 21.31 H new ATOM 0 HA HIS A 27 -6.989 -14.300 3.538 1.00 42.53 H new ATOM 0 HB2 HIS A 27 -6.304 -14.820 5.811 1.00 4.54 H new ATOM 0 HB3 HIS A 27 -7.800 -13.909 5.752 1.00 4.54 H new ATOM 0 HD1 HIS A 27 -6.404 -17.306 6.646 1.00 0.14 H new ATOM 0 HD2 HIS A 27 -10.079 -15.266 6.721 1.00 41.32 H new ATOM 0 HE1 HIS A 27 -8.011 -18.715 8.051 1.00 50.14 H new ATOM 384 N LYS A 28 -7.177 -17.541 4.109 1.00 44.32 N ATOM 385 CA LYS A 28 -6.561 -18.817 3.786 1.00 43.40 C ATOM 386 C LYS A 28 -6.260 -18.868 2.287 1.00 42.13 C ATOM 387 O LYS A 28 -5.161 -19.245 1.883 1.00 3.21 O ATOM 388 CB LYS A 28 -7.434 -19.973 4.278 1.00 3.30 C ATOM 389 CG LYS A 28 -7.028 -20.404 5.689 1.00 61.32 C ATOM 390 CD LYS A 28 -7.846 -21.613 6.149 1.00 42.30 C ATOM 391 CE LYS A 28 -9.242 -21.187 6.609 1.00 64.03 C ATOM 392 NZ LYS A 28 -9.797 -22.174 7.562 1.00 42.12 N ATOM 0 H LYS A 28 -7.975 -17.600 4.741 1.00 44.32 H new ATOM 0 HA LYS A 28 -5.609 -18.923 4.306 1.00 43.40 H new ATOM 0 HB2 LYS A 28 -8.481 -19.670 4.273 1.00 3.30 H new ATOM 0 HB3 LYS A 28 -7.343 -20.818 3.595 1.00 3.30 H new ATOM 0 HG2 LYS A 28 -5.966 -20.651 5.707 1.00 61.32 H new ATOM 0 HG3 LYS A 28 -7.175 -19.576 6.383 1.00 61.32 H new ATOM 0 HD2 LYS A 28 -7.931 -22.331 5.333 1.00 42.30 H new ATOM 0 HD3 LYS A 28 -7.329 -22.118 6.965 1.00 42.30 H new ATOM 0 HE2 LYS A 28 -9.192 -20.206 7.080 1.00 64.03 H new ATOM 0 HE3 LYS A 28 -9.903 -21.093 5.747 1.00 64.03 H new ATOM 0 HZ1 LYS A 28 -10.745 -21.870 7.864 1.00 42.12 H new ATOM 0 HZ2 LYS A 28 -9.863 -23.104 7.100 1.00 42.12 H new ATOM 0 HZ3 LYS A 28 -9.174 -22.243 8.392 1.00 42.12 H new ATOM 405 N LYS A 29 -7.256 -18.483 1.502 1.00 21.43 N ATOM 406 CA LYS A 29 -7.112 -18.481 0.056 1.00 2.14 C ATOM 407 C LYS A 29 -6.019 -17.486 -0.341 1.00 74.21 C ATOM 408 O LYS A 29 -5.230 -17.754 -1.246 1.00 55.11 O ATOM 409 CB LYS A 29 -8.460 -18.215 -0.616 1.00 11.10 C ATOM 410 CG LYS A 29 -9.271 -19.506 -0.748 1.00 51.41 C ATOM 411 CD LYS A 29 -9.186 -20.340 0.531 1.00 24.23 C ATOM 412 CE LYS A 29 -10.042 -21.603 0.420 1.00 21.23 C ATOM 413 NZ LYS A 29 -10.381 -22.119 1.765 1.00 34.13 N ATOM 0 H LYS A 29 -8.166 -18.170 1.840 1.00 21.43 H new ATOM 0 HA LYS A 29 -6.795 -19.462 -0.297 1.00 2.14 H new ATOM 0 HB2 LYS A 29 -9.023 -17.486 -0.034 1.00 11.10 H new ATOM 0 HB3 LYS A 29 -8.299 -17.780 -1.602 1.00 11.10 H new ATOM 0 HG2 LYS A 29 -10.313 -19.265 -0.961 1.00 51.41 H new ATOM 0 HG3 LYS A 29 -8.900 -20.088 -1.591 1.00 51.41 H new ATOM 0 HD2 LYS A 29 -8.149 -20.615 0.722 1.00 24.23 H new ATOM 0 HD3 LYS A 29 -9.519 -19.744 1.381 1.00 24.23 H new ATOM 0 HE2 LYS A 29 -10.955 -21.383 -0.132 1.00 21.23 H new ATOM 0 HE3 LYS A 29 -9.504 -22.365 -0.144 1.00 21.23 H new ATOM 0 HZ1 LYS A 29 -10.962 -22.976 1.672 1.00 34.13 H new ATOM 0 HZ2 LYS A 29 -9.507 -22.348 2.280 1.00 34.13 H new ATOM 0 HZ3 LYS A 29 -10.913 -21.396 2.290 1.00 34.13 H new ATOM 426 N PHE A 30 -6.008 -16.359 0.355 1.00 54.10 N ATOM 427 CA PHE A 30 -5.026 -15.323 0.086 1.00 42.20 C ATOM 428 C PHE A 30 -3.605 -15.840 0.320 1.00 71.43 C ATOM 429 O PHE A 30 -2.804 -15.906 -0.611 1.00 5.00 O ATOM 430 CB PHE A 30 -5.305 -14.177 1.061 1.00 74.30 C ATOM 431 CG PHE A 30 -4.801 -12.815 0.581 1.00 13.31 C ATOM 432 CD1 PHE A 30 -5.689 -11.844 0.235 1.00 34.43 C ATOM 433 CD2 PHE A 30 -3.465 -12.574 0.500 1.00 13.23 C ATOM 434 CE1 PHE A 30 -5.222 -10.580 -0.210 1.00 44.11 C ATOM 435 CE2 PHE A 30 -2.997 -11.309 0.055 1.00 75.31 C ATOM 436 CZ PHE A 30 -3.886 -10.339 -0.291 1.00 5.01 C ATOM 0 H PHE A 30 -6.664 -16.141 1.105 1.00 54.10 H new ATOM 0 HA PHE A 30 -5.101 -15.001 -0.953 1.00 42.20 H new ATOM 0 HB2 PHE A 30 -6.379 -14.115 1.235 1.00 74.30 H new ATOM 0 HB3 PHE A 30 -4.840 -14.408 2.019 1.00 74.30 H new ATOM 0 HD1 PHE A 30 -6.750 -12.035 0.299 1.00 34.43 H new ATOM 0 HD2 PHE A 30 -2.760 -13.345 0.774 1.00 13.23 H new ATOM 0 HE1 PHE A 30 -5.927 -9.810 -0.484 1.00 44.11 H new ATOM 0 HE2 PHE A 30 -1.936 -11.117 -0.009 1.00 75.31 H new ATOM 0 HZ PHE A 30 -3.531 -9.377 -0.630 1.00 5.01 H new ATOM 446 N PHE A 31 -3.337 -16.195 1.568 1.00 44.22 N ATOM 447 CA PHE A 31 -2.027 -16.705 1.936 1.00 45.44 C ATOM 448 C PHE A 31 -1.612 -17.861 1.024 1.00 73.24 C ATOM 449 O PHE A 31 -0.425 -18.147 0.878 1.00 42.12 O ATOM 450 CB PHE A 31 -2.134 -17.217 3.373 1.00 24.41 C ATOM 451 CG PHE A 31 -2.289 -16.111 4.418 1.00 13.04 C ATOM 452 CD1 PHE A 31 -3.142 -16.279 5.464 1.00 12.14 C ATOM 453 CD2 PHE A 31 -1.575 -14.960 4.302 1.00 42.34 C ATOM 454 CE1 PHE A 31 -3.287 -15.252 6.434 1.00 23.15 C ATOM 455 CE2 PHE A 31 -1.719 -13.933 5.272 1.00 54.13 C ATOM 456 CZ PHE A 31 -2.572 -14.101 6.318 1.00 53.23 C ATOM 0 H PHE A 31 -4.005 -16.140 2.337 1.00 44.22 H new ATOM 0 HA PHE A 31 -1.281 -15.917 1.840 1.00 45.44 H new ATOM 0 HB2 PHE A 31 -2.987 -17.892 3.445 1.00 24.41 H new ATOM 0 HB3 PHE A 31 -1.244 -17.801 3.607 1.00 24.41 H new ATOM 0 HD1 PHE A 31 -3.709 -17.193 5.557 1.00 12.14 H new ATOM 0 HD2 PHE A 31 -0.898 -14.827 3.471 1.00 42.34 H new ATOM 0 HE1 PHE A 31 -3.965 -15.385 7.264 1.00 23.15 H new ATOM 0 HE2 PHE A 31 -1.151 -13.019 5.179 1.00 54.13 H new ATOM 0 HZ PHE A 31 -2.681 -13.320 7.056 1.00 53.23 H new ATOM 466 N LYS A 32 -2.615 -18.496 0.433 1.00 3.55 N ATOM 467 CA LYS A 32 -2.369 -19.615 -0.460 1.00 55.43 C ATOM 468 C LYS A 32 -1.892 -19.085 -1.814 1.00 25.40 C ATOM 469 O LYS A 32 -0.867 -19.528 -2.331 1.00 30.10 O ATOM 470 CB LYS A 32 -3.608 -20.508 -0.552 1.00 21.51 C ATOM 471 CG LYS A 32 -3.525 -21.664 0.448 1.00 53.13 C ATOM 472 CD LYS A 32 -4.918 -22.203 0.779 1.00 14.54 C ATOM 473 CE LYS A 32 -5.551 -22.874 -0.441 1.00 34.22 C ATOM 474 NZ LYS A 32 -5.054 -24.260 -0.586 1.00 25.42 N ATOM 0 H LYS A 32 -3.599 -18.256 0.556 1.00 3.55 H new ATOM 0 HA LYS A 32 -1.575 -20.249 -0.067 1.00 55.43 H new ATOM 0 HB2 LYS A 32 -4.503 -19.917 -0.357 1.00 21.51 H new ATOM 0 HB3 LYS A 32 -3.702 -20.903 -1.564 1.00 21.51 H new ATOM 0 HG2 LYS A 32 -2.910 -22.464 0.035 1.00 53.13 H new ATOM 0 HG3 LYS A 32 -3.036 -21.325 1.361 1.00 53.13 H new ATOM 0 HD2 LYS A 32 -4.849 -22.919 1.598 1.00 14.54 H new ATOM 0 HD3 LYS A 32 -5.555 -21.388 1.121 1.00 14.54 H new ATOM 0 HE2 LYS A 32 -6.636 -22.879 -0.338 1.00 34.22 H new ATOM 0 HE3 LYS A 32 -5.319 -22.302 -1.339 1.00 34.22 H new ATOM 0 HZ1 LYS A 32 -5.494 -24.701 -1.419 1.00 25.42 H new ATOM 0 HZ2 LYS A 32 -4.021 -24.248 -0.705 1.00 25.42 H new ATOM 0 HZ3 LYS A 32 -5.298 -24.807 0.264 1.00 25.42 H new ATOM 487 N ALA A 33 -2.656 -18.145 -2.349 1.00 75.44 N ATOM 488 CA ALA A 33 -2.324 -17.551 -3.633 1.00 20.10 C ATOM 489 C ALA A 33 -1.021 -16.760 -3.502 1.00 22.23 C ATOM 490 O ALA A 33 -0.305 -16.568 -4.484 1.00 33.54 O ATOM 491 CB ALA A 33 -3.489 -16.681 -4.110 1.00 4.12 C ATOM 0 H ALA A 33 -3.505 -17.780 -1.917 1.00 75.44 H new ATOM 0 HA ALA A 33 -2.166 -18.325 -4.385 1.00 20.10 H new ATOM 0 HB1 ALA A 33 -3.240 -16.235 -5.073 1.00 4.12 H new ATOM 0 HB2 ALA A 33 -4.383 -17.296 -4.215 1.00 4.12 H new ATOM 0 HB3 ALA A 33 -3.675 -15.891 -3.382 1.00 4.12 H new ATOM 497 N CYS A 34 -0.752 -16.322 -2.280 1.00 72.54 N ATOM 498 CA CYS A 34 0.452 -15.557 -2.008 1.00 3.31 C ATOM 499 C CYS A 34 1.564 -16.533 -1.619 1.00 44.12 C ATOM 500 O CYS A 34 2.745 -16.239 -1.802 1.00 72.32 O ATOM 501 CB CYS A 34 0.218 -14.499 -0.927 1.00 71.15 C ATOM 502 SG CYS A 34 -0.841 -13.159 -1.583 1.00 52.54 S ATOM 0 H CYS A 34 -1.348 -16.483 -1.468 1.00 72.54 H new ATOM 0 HA CYS A 34 0.747 -15.009 -2.903 1.00 3.31 H new ATOM 0 HB2 CYS A 34 -0.255 -14.954 -0.057 1.00 71.15 H new ATOM 0 HB3 CYS A 34 1.172 -14.090 -0.594 1.00 71.15 H new ATOM 0 HG CYS A 34 -1.708 -12.810 -0.680 1.00 52.54 H new ATOM 508 N GLY A 35 1.148 -17.674 -1.090 1.00 43.00 N ATOM 509 CA GLY A 35 2.095 -18.695 -0.674 1.00 34.10 C ATOM 510 C GLY A 35 2.476 -18.522 0.798 1.00 44.15 C ATOM 511 O GLY A 35 3.051 -19.425 1.404 1.00 44.33 O ATOM 0 H GLY A 35 0.168 -17.914 -0.940 1.00 43.00 H new ATOM 0 HA2 GLY A 35 1.661 -19.683 -0.827 1.00 34.10 H new ATOM 0 HA3 GLY A 35 2.990 -18.640 -1.294 1.00 34.10 H new ATOM 515 N LEU A 36 2.141 -17.356 1.330 1.00 42.25 N ATOM 516 CA LEU A 36 2.442 -17.053 2.718 1.00 13.35 C ATOM 517 C LEU A 36 2.131 -18.277 3.582 1.00 71.02 C ATOM 518 O LEU A 36 2.746 -18.475 4.629 1.00 72.14 O ATOM 519 CB LEU A 36 1.707 -15.786 3.161 1.00 5.53 C ATOM 520 CG LEU A 36 2.438 -14.465 2.911 1.00 3.21 C ATOM 521 CD1 LEU A 36 1.482 -13.277 3.033 1.00 74.23 C ATOM 522 CD2 LEU A 36 3.648 -14.324 3.837 1.00 10.53 C ATOM 0 H LEU A 36 1.664 -16.610 0.824 1.00 42.25 H new ATOM 0 HA LEU A 36 3.504 -16.838 2.839 1.00 13.35 H new ATOM 0 HB2 LEU A 36 0.746 -15.749 2.648 1.00 5.53 H new ATOM 0 HB3 LEU A 36 1.497 -15.866 4.228 1.00 5.53 H new ATOM 0 HG LEU A 36 2.814 -14.472 1.888 1.00 3.21 H new ATOM 0 HD11 LEU A 36 2.027 -12.351 2.851 1.00 74.23 H new ATOM 0 HD12 LEU A 36 0.682 -13.377 2.300 1.00 74.23 H new ATOM 0 HD13 LEU A 36 1.055 -13.255 4.036 1.00 74.23 H new ATOM 0 HD21 LEU A 36 4.150 -13.377 3.639 1.00 10.53 H new ATOM 0 HD22 LEU A 36 3.317 -14.349 4.875 1.00 10.53 H new ATOM 0 HD23 LEU A 36 4.341 -15.146 3.658 1.00 10.53 H new ATOM 534 N SER A 37 1.177 -19.067 3.111 1.00 51.40 N ATOM 535 CA SER A 37 0.777 -20.266 3.827 1.00 60.21 C ATOM 536 C SER A 37 1.933 -21.268 3.857 1.00 44.42 C ATOM 537 O SER A 37 2.275 -21.796 4.914 1.00 54.01 O ATOM 538 CB SER A 37 -0.459 -20.902 3.189 1.00 74.15 C ATOM 539 OG SER A 37 -0.837 -22.110 3.844 1.00 61.14 O ATOM 0 H SER A 37 0.670 -18.900 2.242 1.00 51.40 H new ATOM 0 HA SER A 37 0.521 -19.985 4.849 1.00 60.21 H new ATOM 0 HB2 SER A 37 -1.289 -20.196 3.224 1.00 74.15 H new ATOM 0 HB3 SER A 37 -0.259 -21.107 2.137 1.00 74.15 H new ATOM 0 HG SER A 37 -1.631 -22.484 3.408 1.00 61.14 H new ATOM 545 N GLY A 38 2.505 -21.498 2.684 1.00 74.42 N ATOM 546 CA GLY A 38 3.616 -22.427 2.562 1.00 34.12 C ATOM 547 C GLY A 38 4.953 -21.710 2.753 1.00 4.34 C ATOM 548 O GLY A 38 6.013 -22.305 2.567 1.00 64.15 O ATOM 0 H GLY A 38 2.220 -21.057 1.810 1.00 74.42 H new ATOM 0 HA2 GLY A 38 3.515 -23.220 3.303 1.00 34.12 H new ATOM 0 HA3 GLY A 38 3.591 -22.903 1.582 1.00 34.12 H new ATOM 552 N LYS A 39 4.860 -20.441 3.124 1.00 45.14 N ATOM 553 CA LYS A 39 6.050 -19.636 3.342 1.00 23.01 C ATOM 554 C LYS A 39 6.749 -20.103 4.621 1.00 71.03 C ATOM 555 O LYS A 39 6.287 -21.033 5.280 1.00 24.13 O ATOM 556 CB LYS A 39 5.697 -18.147 3.343 1.00 64.32 C ATOM 557 CG LYS A 39 5.612 -17.603 1.915 1.00 22.42 C ATOM 558 CD LYS A 39 6.923 -17.834 1.161 1.00 24.23 C ATOM 559 CE LYS A 39 7.146 -16.751 0.104 1.00 73.23 C ATOM 560 NZ LYS A 39 8.236 -17.142 -0.817 1.00 60.45 N ATOM 0 H LYS A 39 3.979 -19.951 3.279 1.00 45.14 H new ATOM 0 HA LYS A 39 6.757 -19.772 2.524 1.00 23.01 H new ATOM 0 HB2 LYS A 39 4.745 -17.996 3.851 1.00 64.32 H new ATOM 0 HB3 LYS A 39 6.449 -17.592 3.903 1.00 64.32 H new ATOM 0 HG2 LYS A 39 4.793 -18.089 1.385 1.00 22.42 H new ATOM 0 HG3 LYS A 39 5.386 -16.537 1.941 1.00 22.42 H new ATOM 0 HD2 LYS A 39 7.756 -17.837 1.865 1.00 24.23 H new ATOM 0 HD3 LYS A 39 6.905 -18.814 0.684 1.00 24.23 H new ATOM 0 HE2 LYS A 39 6.227 -16.589 -0.459 1.00 73.23 H new ATOM 0 HE3 LYS A 39 7.393 -15.807 0.589 1.00 73.23 H new ATOM 0 HZ1 LYS A 39 8.374 -16.396 -1.528 1.00 60.45 H new ATOM 0 HZ2 LYS A 39 9.116 -17.274 -0.278 1.00 60.45 H new ATOM 0 HZ3 LYS A 39 7.986 -18.032 -1.293 1.00 60.45 H new ATOM 573 N SER A 40 7.850 -19.436 4.932 1.00 24.15 N ATOM 574 CA SER A 40 8.617 -19.771 6.120 1.00 23.14 C ATOM 575 C SER A 40 8.078 -18.999 7.326 1.00 32.44 C ATOM 576 O SER A 40 7.504 -17.922 7.173 1.00 61.34 O ATOM 577 CB SER A 40 10.104 -19.470 5.919 1.00 32.23 C ATOM 578 OG SER A 40 10.935 -20.409 6.597 1.00 51.30 O ATOM 0 H SER A 40 8.230 -18.665 4.382 1.00 24.15 H new ATOM 0 HA SER A 40 8.512 -20.840 6.304 1.00 23.14 H new ATOM 0 HB2 SER A 40 10.336 -19.483 4.854 1.00 32.23 H new ATOM 0 HB3 SER A 40 10.323 -18.465 6.280 1.00 32.23 H new ATOM 0 HG SER A 40 11.876 -20.184 6.443 1.00 51.30 H new ATOM 584 N THR A 41 8.281 -19.581 8.499 1.00 1.35 N ATOM 585 CA THR A 41 7.822 -18.961 9.731 1.00 23.12 C ATOM 586 C THR A 41 8.633 -17.698 10.027 1.00 42.11 C ATOM 587 O THR A 41 8.146 -16.784 10.691 1.00 71.32 O ATOM 588 CB THR A 41 7.900 -20.008 10.844 1.00 1.34 C ATOM 589 OG1 THR A 41 6.672 -20.723 10.735 1.00 5.21 O ATOM 590 CG2 THR A 41 7.845 -19.383 12.240 1.00 34.31 C ATOM 0 H THR A 41 8.757 -20.475 8.623 1.00 1.35 H new ATOM 0 HA THR A 41 6.786 -18.632 9.646 1.00 23.12 H new ATOM 0 HB THR A 41 8.821 -20.582 10.739 1.00 1.34 H new ATOM 0 HG1 THR A 41 6.639 -21.424 11.420 1.00 5.21 H new ATOM 0 HG21 THR A 41 7.904 -20.169 12.993 1.00 34.31 H new ATOM 0 HG22 THR A 41 8.683 -18.697 12.365 1.00 34.31 H new ATOM 0 HG23 THR A 41 6.909 -18.837 12.358 1.00 34.31 H new ATOM 598 N ASP A 42 9.857 -17.687 9.520 1.00 41.13 N ATOM 599 CA ASP A 42 10.740 -16.551 9.721 1.00 5.12 C ATOM 600 C ASP A 42 10.202 -15.348 8.945 1.00 51.43 C ATOM 601 O ASP A 42 9.837 -14.334 9.538 1.00 32.14 O ATOM 602 CB ASP A 42 12.150 -16.852 9.209 1.00 43.33 C ATOM 603 CG ASP A 42 13.009 -15.619 8.916 1.00 32.54 C ATOM 604 OD1 ASP A 42 13.924 -15.662 8.081 1.00 24.53 O ATOM 605 OD2 ASP A 42 12.702 -14.567 9.597 1.00 73.33 O ATOM 0 H ASP A 42 10.258 -18.447 8.970 1.00 41.13 H new ATOM 0 HA ASP A 42 10.781 -16.342 10.790 1.00 5.12 H new ATOM 0 HB2 ASP A 42 12.664 -17.468 9.947 1.00 43.33 H new ATOM 0 HB3 ASP A 42 12.071 -17.446 8.298 1.00 43.33 H new ATOM 611 N GLU A 43 10.170 -15.499 7.629 1.00 75.31 N ATOM 612 CA GLU A 43 9.682 -14.438 6.765 1.00 53.31 C ATOM 613 C GLU A 43 8.306 -13.961 7.235 1.00 50.20 C ATOM 614 O GLU A 43 8.001 -12.771 7.168 1.00 42.01 O ATOM 615 CB GLU A 43 9.634 -14.896 5.306 1.00 20.31 C ATOM 616 CG GLU A 43 8.341 -15.660 5.013 1.00 11.14 C ATOM 617 CD GLU A 43 8.273 -16.079 3.544 1.00 73.44 C ATOM 618 OE1 GLU A 43 9.223 -16.686 3.027 1.00 31.34 O ATOM 619 OE2 GLU A 43 7.183 -15.754 2.934 1.00 64.32 O ATOM 0 H GLU A 43 10.474 -16.341 7.140 1.00 75.31 H new ATOM 0 HA GLU A 43 10.376 -13.600 6.825 1.00 53.31 H new ATOM 0 HB2 GLU A 43 9.707 -14.031 4.647 1.00 20.31 H new ATOM 0 HB3 GLU A 43 10.493 -15.532 5.092 1.00 20.31 H new ATOM 0 HG2 GLU A 43 8.284 -16.543 5.650 1.00 11.14 H new ATOM 0 HG3 GLU A 43 7.482 -15.035 5.257 1.00 11.14 H new ATOM 627 N VAL A 44 7.512 -14.914 7.700 1.00 12.23 N ATOM 628 CA VAL A 44 6.176 -14.606 8.181 1.00 13.13 C ATOM 629 C VAL A 44 6.235 -13.374 9.086 1.00 5.42 C ATOM 630 O VAL A 44 5.437 -12.450 8.936 1.00 4.32 O ATOM 631 CB VAL A 44 5.575 -15.829 8.876 1.00 30.44 C ATOM 632 CG1 VAL A 44 4.358 -15.440 9.718 1.00 50.44 C ATOM 633 CG2 VAL A 44 5.214 -16.915 7.860 1.00 24.15 C ATOM 0 H VAL A 44 7.768 -15.900 7.754 1.00 12.23 H new ATOM 0 HA VAL A 44 5.517 -14.365 7.347 1.00 13.13 H new ATOM 0 HB VAL A 44 6.330 -16.236 9.548 1.00 30.44 H new ATOM 0 HG11 VAL A 44 3.951 -16.328 10.201 1.00 50.44 H new ATOM 0 HG12 VAL A 44 4.657 -14.719 10.478 1.00 50.44 H new ATOM 0 HG13 VAL A 44 3.598 -14.996 9.075 1.00 50.44 H new ATOM 0 HG21 VAL A 44 4.789 -17.773 8.380 1.00 24.15 H new ATOM 0 HG22 VAL A 44 4.485 -16.522 7.151 1.00 24.15 H new ATOM 0 HG23 VAL A 44 6.111 -17.224 7.323 1.00 24.15 H new ATOM 643 N LYS A 45 7.189 -13.400 10.005 1.00 2.35 N ATOM 644 CA LYS A 45 7.364 -12.296 10.935 1.00 75.15 C ATOM 645 C LYS A 45 7.734 -11.033 10.155 1.00 5.22 C ATOM 646 O LYS A 45 7.346 -9.929 10.534 1.00 2.12 O ATOM 647 CB LYS A 45 8.373 -12.666 12.023 1.00 64.34 C ATOM 648 CG LYS A 45 7.750 -13.613 13.050 1.00 30.21 C ATOM 649 CD LYS A 45 7.946 -15.074 12.639 1.00 14.11 C ATOM 650 CE LYS A 45 8.096 -15.974 13.867 1.00 15.34 C ATOM 651 NZ LYS A 45 6.767 -16.364 14.390 1.00 53.54 N ATOM 0 H LYS A 45 7.849 -14.168 10.126 1.00 2.35 H new ATOM 0 HA LYS A 45 6.431 -12.086 11.458 1.00 75.15 H new ATOM 0 HB2 LYS A 45 9.245 -13.138 11.570 1.00 64.34 H new ATOM 0 HB3 LYS A 45 8.723 -11.762 12.522 1.00 64.34 H new ATOM 0 HG2 LYS A 45 8.201 -13.443 14.027 1.00 30.21 H new ATOM 0 HG3 LYS A 45 6.686 -13.399 13.149 1.00 30.21 H new ATOM 0 HD2 LYS A 45 7.096 -15.405 12.043 1.00 14.11 H new ATOM 0 HD3 LYS A 45 8.831 -15.163 12.009 1.00 14.11 H new ATOM 0 HE2 LYS A 45 8.666 -16.865 13.604 1.00 15.34 H new ATOM 0 HE3 LYS A 45 8.659 -15.452 14.641 1.00 15.34 H new ATOM 0 HZ1 LYS A 45 6.887 -16.975 15.223 1.00 53.54 H new ATOM 0 HZ2 LYS A 45 6.236 -15.511 14.659 1.00 53.54 H new ATOM 0 HZ3 LYS A 45 6.243 -16.880 13.655 1.00 53.54 H new ATOM 664 N LYS A 46 8.482 -11.237 9.080 1.00 34.24 N ATOM 665 CA LYS A 46 8.909 -10.128 8.244 1.00 24.44 C ATOM 666 C LYS A 46 7.734 -9.662 7.382 1.00 24.43 C ATOM 667 O LYS A 46 7.728 -8.534 6.893 1.00 12.23 O ATOM 668 CB LYS A 46 10.150 -10.514 7.436 1.00 21.03 C ATOM 669 CG LYS A 46 11.101 -11.375 8.270 1.00 44.01 C ATOM 670 CD LYS A 46 11.346 -10.749 9.644 1.00 1.51 C ATOM 671 CE LYS A 46 12.225 -9.501 9.529 1.00 31.45 C ATOM 672 NZ LYS A 46 11.447 -8.368 8.980 1.00 23.14 N ATOM 0 H LYS A 46 8.803 -12.154 8.769 1.00 34.24 H new ATOM 0 HA LYS A 46 9.208 -9.280 8.860 1.00 24.44 H new ATOM 0 HB2 LYS A 46 9.851 -11.059 6.541 1.00 21.03 H new ATOM 0 HB3 LYS A 46 10.666 -9.614 7.103 1.00 21.03 H new ATOM 0 HG2 LYS A 46 10.681 -12.374 8.391 1.00 44.01 H new ATOM 0 HG3 LYS A 46 12.049 -11.489 7.744 1.00 44.01 H new ATOM 0 HD2 LYS A 46 10.393 -10.486 10.103 1.00 1.51 H new ATOM 0 HD3 LYS A 46 11.825 -11.477 10.299 1.00 1.51 H new ATOM 0 HE2 LYS A 46 12.621 -9.237 10.509 1.00 31.45 H new ATOM 0 HE3 LYS A 46 13.080 -9.709 8.885 1.00 31.45 H new ATOM 0 HZ1 LYS A 46 11.923 -7.474 9.216 1.00 23.14 H new ATOM 0 HZ2 LYS A 46 11.379 -8.462 7.946 1.00 23.14 H new ATOM 0 HZ3 LYS A 46 10.492 -8.371 9.391 1.00 23.14 H new ATOM 685 N ALA A 47 6.769 -10.555 7.222 1.00 34.23 N ATOM 686 CA ALA A 47 5.591 -10.250 6.428 1.00 40.42 C ATOM 687 C ALA A 47 4.585 -9.482 7.288 1.00 25.35 C ATOM 688 O ALA A 47 3.911 -8.576 6.802 1.00 3.52 O ATOM 689 CB ALA A 47 5.006 -11.546 5.863 1.00 52.51 C ATOM 0 H ALA A 47 6.779 -11.490 7.629 1.00 34.23 H new ATOM 0 HA ALA A 47 5.853 -9.615 5.582 1.00 40.42 H new ATOM 0 HB1 ALA A 47 4.122 -11.317 5.267 1.00 52.51 H new ATOM 0 HB2 ALA A 47 5.749 -12.037 5.235 1.00 52.51 H new ATOM 0 HB3 ALA A 47 4.729 -12.208 6.683 1.00 52.51 H new ATOM 695 N PHE A 48 4.516 -9.874 8.552 1.00 3.02 N ATOM 696 CA PHE A 48 3.604 -9.234 9.485 1.00 24.32 C ATOM 697 C PHE A 48 3.952 -7.755 9.664 1.00 15.12 C ATOM 698 O PHE A 48 3.110 -6.963 10.086 1.00 3.12 O ATOM 699 CB PHE A 48 3.764 -9.950 10.828 1.00 1.52 C ATOM 700 CG PHE A 48 3.111 -9.219 12.004 1.00 70.44 C ATOM 701 CD1 PHE A 48 1.885 -9.606 12.448 1.00 51.24 C ATOM 702 CD2 PHE A 48 3.756 -8.184 12.604 1.00 4.13 C ATOM 703 CE1 PHE A 48 1.279 -8.928 13.538 1.00 32.23 C ATOM 704 CE2 PHE A 48 3.150 -7.506 13.695 1.00 23.30 C ATOM 705 CZ PHE A 48 1.924 -7.893 14.139 1.00 42.30 C ATOM 0 H PHE A 48 5.077 -10.627 8.952 1.00 3.02 H new ATOM 0 HA PHE A 48 2.583 -9.296 9.110 1.00 24.32 H new ATOM 0 HB2 PHE A 48 3.333 -10.948 10.750 1.00 1.52 H new ATOM 0 HB3 PHE A 48 4.826 -10.076 11.037 1.00 1.52 H new ATOM 0 HD1 PHE A 48 1.373 -10.429 11.971 1.00 51.24 H new ATOM 0 HD2 PHE A 48 4.729 -7.877 12.251 1.00 4.13 H new ATOM 0 HE1 PHE A 48 0.305 -9.234 13.890 1.00 32.23 H new ATOM 0 HE2 PHE A 48 3.662 -6.684 14.172 1.00 23.30 H new ATOM 0 HZ PHE A 48 1.463 -7.378 14.969 1.00 42.30 H new ATOM 715 N ALA A 49 5.192 -7.427 9.334 1.00 21.04 N ATOM 716 CA ALA A 49 5.661 -6.057 9.453 1.00 12.24 C ATOM 717 C ALA A 49 5.313 -5.290 8.176 1.00 75.42 C ATOM 718 O ALA A 49 5.472 -4.072 8.115 1.00 23.33 O ATOM 719 CB ALA A 49 7.163 -6.054 9.744 1.00 61.45 C ATOM 0 H ALA A 49 5.887 -8.087 8.984 1.00 21.04 H new ATOM 0 HA ALA A 49 5.167 -5.554 10.284 1.00 12.24 H new ATOM 0 HB1 ALA A 49 7.514 -5.026 9.833 1.00 61.45 H new ATOM 0 HB2 ALA A 49 7.354 -6.585 10.677 1.00 61.45 H new ATOM 0 HB3 ALA A 49 7.692 -6.549 8.930 1.00 61.45 H new ATOM 725 N ILE A 50 4.843 -6.036 7.186 1.00 10.32 N ATOM 726 CA ILE A 50 4.471 -5.442 5.913 1.00 13.35 C ATOM 727 C ILE A 50 3.171 -4.652 6.085 1.00 62.54 C ATOM 728 O ILE A 50 3.080 -3.501 5.663 1.00 40.34 O ATOM 729 CB ILE A 50 4.401 -6.512 4.822 1.00 20.15 C ATOM 730 CG1 ILE A 50 5.716 -7.289 4.732 1.00 70.11 C ATOM 731 CG2 ILE A 50 4.003 -5.900 3.478 1.00 3.40 C ATOM 732 CD1 ILE A 50 6.788 -6.471 4.009 1.00 53.31 C ATOM 0 H ILE A 50 4.711 -7.046 7.240 1.00 10.32 H new ATOM 0 HA ILE A 50 5.233 -4.735 5.585 1.00 13.35 H new ATOM 0 HB ILE A 50 3.623 -7.226 5.093 1.00 20.15 H new ATOM 0 HG12 ILE A 50 6.062 -7.543 5.734 1.00 70.11 H new ATOM 0 HG13 ILE A 50 5.552 -8.228 4.204 1.00 70.11 H new ATOM 0 HG21 ILE A 50 3.961 -6.682 2.720 1.00 3.40 H new ATOM 0 HG22 ILE A 50 3.024 -5.429 3.568 1.00 3.40 H new ATOM 0 HG23 ILE A 50 4.740 -5.152 3.186 1.00 3.40 H new ATOM 0 HD11 ILE A 50 7.712 -7.046 3.959 1.00 53.31 H new ATOM 0 HD12 ILE A 50 6.449 -6.239 2.999 1.00 53.31 H new ATOM 0 HD13 ILE A 50 6.967 -5.544 4.553 1.00 53.31 H new ATOM 744 N ILE A 51 2.198 -5.304 6.705 1.00 41.25 N ATOM 745 CA ILE A 51 0.908 -4.677 6.937 1.00 73.33 C ATOM 746 C ILE A 51 1.076 -3.525 7.929 1.00 43.34 C ATOM 747 O ILE A 51 0.756 -2.379 7.615 1.00 35.42 O ATOM 748 CB ILE A 51 -0.123 -5.720 7.375 1.00 41.24 C ATOM 749 CG1 ILE A 51 0.081 -7.040 6.628 1.00 11.30 C ATOM 750 CG2 ILE A 51 -1.547 -5.184 7.214 1.00 71.24 C ATOM 751 CD1 ILE A 51 0.506 -8.153 7.588 1.00 12.31 C ATOM 0 H ILE A 51 2.277 -6.259 7.053 1.00 41.25 H new ATOM 0 HA ILE A 51 0.521 -4.248 6.013 1.00 73.33 H new ATOM 0 HB ILE A 51 0.026 -5.924 8.435 1.00 41.24 H new ATOM 0 HG12 ILE A 51 -0.843 -7.323 6.124 1.00 11.30 H new ATOM 0 HG13 ILE A 51 0.839 -6.912 5.856 1.00 11.30 H new ATOM 0 HG21 ILE A 51 -2.260 -5.944 7.532 1.00 71.24 H new ATOM 0 HG22 ILE A 51 -1.671 -4.291 7.827 1.00 71.24 H new ATOM 0 HG23 ILE A 51 -1.726 -4.934 6.168 1.00 71.24 H new ATOM 0 HD11 ILE A 51 0.644 -9.080 7.032 1.00 12.31 H new ATOM 0 HD12 ILE A 51 1.443 -7.877 8.073 1.00 12.31 H new ATOM 0 HD13 ILE A 51 -0.266 -8.295 8.344 1.00 12.31 H new ATOM 763 N ASP A 52 1.580 -3.868 9.105 1.00 15.23 N ATOM 764 CA ASP A 52 1.795 -2.876 10.145 1.00 14.11 C ATOM 765 C ASP A 52 2.338 -1.592 9.515 1.00 52.03 C ATOM 766 O ASP A 52 3.514 -1.519 9.162 1.00 10.22 O ATOM 767 CB ASP A 52 2.817 -3.367 11.172 1.00 35.41 C ATOM 768 CG ASP A 52 2.428 -4.652 11.907 1.00 2.22 C ATOM 769 OD1 ASP A 52 1.241 -4.912 12.154 1.00 23.41 O ATOM 770 OD2 ASP A 52 3.417 -5.413 12.235 1.00 1.52 O ATOM 0 H ASP A 52 1.846 -4.819 9.361 1.00 15.23 H new ATOM 0 HA ASP A 52 0.842 -2.697 10.642 1.00 14.11 H new ATOM 0 HB2 ASP A 52 3.769 -3.529 10.666 1.00 35.41 H new ATOM 0 HB3 ASP A 52 2.977 -2.579 11.908 1.00 35.41 H new ATOM 776 N GLN A 53 1.455 -0.612 9.392 1.00 2.51 N ATOM 777 CA GLN A 53 1.831 0.666 8.810 1.00 25.33 C ATOM 778 C GLN A 53 2.388 1.597 9.889 1.00 10.01 C ATOM 779 O GLN A 53 3.043 2.592 9.647 1.00 34.11 O ATOM 780 CB GLN A 53 0.646 1.310 8.088 1.00 23.32 C ATOM 781 CG GLN A 53 -0.057 0.299 7.180 1.00 14.12 C ATOM 782 CD GLN A 53 -0.929 1.009 6.142 1.00 61.20 C ATOM 783 OE1 GLN A 53 -0.448 1.602 5.191 1.00 45.22 O ATOM 784 NE2 GLN A 53 -2.235 0.915 6.377 1.00 64.04 N ATOM 0 H GLN A 53 0.480 -0.677 9.685 1.00 2.51 H new ATOM 0 HA GLN A 53 2.612 0.491 8.070 1.00 25.33 H new ATOM 0 HB2 GLN A 53 -0.061 1.701 8.819 1.00 23.32 H new ATOM 0 HB3 GLN A 53 0.993 2.157 7.496 1.00 23.32 H new ATOM 0 HG2 GLN A 53 0.685 -0.320 6.675 1.00 14.12 H new ATOM 0 HG3 GLN A 53 -0.673 -0.369 7.782 1.00 14.12 H new ATOM 0 HE21 GLN A 53 -2.571 0.403 7.193 1.00 64.04 H new ATOM 0 HE22 GLN A 53 -2.901 1.355 5.741 1.00 64.04 H new ATOM 793 N ASP A 54 2.110 1.249 11.115 1.00 32.11 N ATOM 794 CA ASP A 54 2.600 2.071 12.257 1.00 44.44 C ATOM 795 C ASP A 54 3.501 1.225 13.163 1.00 52.33 C ATOM 796 O ASP A 54 4.191 1.810 13.996 1.00 31.04 O ATOM 797 CB ASP A 54 1.339 2.502 13.005 1.00 54.51 C ATOM 798 CG ASP A 54 0.479 1.274 13.309 1.00 4.31 C ATOM 799 OD1 ASP A 54 0.036 0.637 12.367 1.00 23.13 O ATOM 800 OD2 ASP A 54 0.276 0.991 14.478 1.00 24.05 O ATOM 0 H ASP A 54 1.563 0.428 11.376 1.00 32.11 H new ATOM 0 HA ASP A 54 3.190 2.927 11.930 1.00 44.44 H new ATOM 0 HB2 ASP A 54 1.609 3.008 13.932 1.00 54.51 H new ATOM 0 HB3 ASP A 54 0.774 3.215 12.405 1.00 54.51 H new ATOM 805 N LYS A 55 3.478 -0.089 12.996 1.00 40.10 N ATOM 806 CA LYS A 55 4.298 -0.962 13.818 1.00 3.14 C ATOM 807 C LYS A 55 3.881 -0.816 15.283 1.00 3.41 C ATOM 808 O LYS A 55 4.724 -0.854 16.179 1.00 55.02 O ATOM 809 CB LYS A 55 5.784 -0.690 13.572 1.00 73.43 C ATOM 810 CG LYS A 55 6.038 -0.320 12.109 1.00 12.11 C ATOM 811 CD LYS A 55 5.557 -1.429 11.171 1.00 25.11 C ATOM 812 CE LYS A 55 6.075 -1.207 9.749 1.00 45.13 C ATOM 813 NZ LYS A 55 7.547 -1.051 9.752 1.00 63.14 N ATOM 0 H LYS A 55 2.904 -0.570 12.303 1.00 40.10 H new ATOM 0 HA LYS A 55 4.138 -2.005 13.543 1.00 3.14 H new ATOM 0 HB2 LYS A 55 6.121 0.119 14.220 1.00 73.43 H new ATOM 0 HB3 LYS A 55 6.367 -1.573 13.834 1.00 73.43 H new ATOM 0 HG2 LYS A 55 5.523 0.611 11.871 1.00 12.11 H new ATOM 0 HG3 LYS A 55 7.103 -0.144 11.954 1.00 12.11 H new ATOM 0 HD2 LYS A 55 5.899 -2.396 11.540 1.00 25.11 H new ATOM 0 HD3 LYS A 55 4.467 -1.458 11.165 1.00 25.11 H new ATOM 0 HE2 LYS A 55 5.794 -2.050 9.118 1.00 45.13 H new ATOM 0 HE3 LYS A 55 5.610 -0.319 9.321 1.00 45.13 H new ATOM 0 HZ1 LYS A 55 7.941 -1.462 8.882 1.00 63.14 H new ATOM 0 HZ2 LYS A 55 7.789 -0.041 9.798 1.00 63.14 H new ATOM 0 HZ3 LYS A 55 7.946 -1.541 10.578 1.00 63.14 H new ATOM 826 N SER A 56 2.582 -0.651 15.482 1.00 52.24 N ATOM 827 CA SER A 56 2.043 -0.498 16.822 1.00 32.54 C ATOM 828 C SER A 56 2.433 -1.702 17.683 1.00 51.10 C ATOM 829 O SER A 56 2.368 -1.639 18.910 1.00 64.33 O ATOM 830 CB SER A 56 0.521 -0.340 16.790 1.00 65.23 C ATOM 831 OG SER A 56 -0.065 -1.046 15.699 1.00 14.43 O ATOM 0 H SER A 56 1.886 -0.620 14.737 1.00 52.24 H new ATOM 0 HA SER A 56 2.466 0.407 17.259 1.00 32.54 H new ATOM 0 HB2 SER A 56 0.099 -0.704 17.727 1.00 65.23 H new ATOM 0 HB3 SER A 56 0.267 0.718 16.716 1.00 65.23 H new ATOM 0 HG SER A 56 -0.044 -0.484 14.897 1.00 14.43 H new ATOM 837 N GLY A 57 2.829 -2.770 17.006 1.00 41.52 N ATOM 838 CA GLY A 57 3.230 -3.986 17.693 1.00 14.50 C ATOM 839 C GLY A 57 2.272 -5.136 17.375 1.00 12.35 C ATOM 840 O GLY A 57 2.680 -6.295 17.335 1.00 64.13 O ATOM 0 H GLY A 57 2.881 -2.818 15.988 1.00 41.52 H new ATOM 0 HA2 GLY A 57 4.243 -4.259 17.396 1.00 14.50 H new ATOM 0 HA3 GLY A 57 3.249 -3.811 18.769 1.00 14.50 H new ATOM 844 N PHE A 58 1.016 -4.775 17.159 1.00 53.43 N ATOM 845 CA PHE A 58 -0.004 -5.762 16.846 1.00 4.11 C ATOM 846 C PHE A 58 -0.849 -5.318 15.651 1.00 40.33 C ATOM 847 O PHE A 58 -0.522 -4.336 14.985 1.00 14.15 O ATOM 848 CB PHE A 58 -0.904 -5.880 18.077 1.00 14.10 C ATOM 849 CG PHE A 58 -0.201 -6.449 19.311 1.00 62.02 C ATOM 850 CD1 PHE A 58 -0.596 -7.643 19.829 1.00 61.05 C ATOM 851 CD2 PHE A 58 0.819 -5.761 19.890 1.00 44.03 C ATOM 852 CE1 PHE A 58 0.057 -8.171 20.974 1.00 60.25 C ATOM 853 CE2 PHE A 58 1.472 -6.289 21.035 1.00 64.13 C ATOM 854 CZ PHE A 58 1.077 -7.483 21.553 1.00 63.15 C ATOM 0 H PHE A 58 0.681 -3.812 17.195 1.00 53.43 H new ATOM 0 HA PHE A 58 0.464 -6.713 16.591 1.00 4.11 H new ATOM 0 HB2 PHE A 58 -1.301 -4.894 18.320 1.00 14.10 H new ATOM 0 HB3 PHE A 58 -1.756 -6.515 17.832 1.00 14.10 H new ATOM 0 HD1 PHE A 58 -1.406 -8.189 19.369 1.00 61.05 H new ATOM 0 HD2 PHE A 58 1.133 -4.813 19.479 1.00 44.03 H new ATOM 0 HE1 PHE A 58 -0.257 -9.119 21.385 1.00 60.25 H new ATOM 0 HE2 PHE A 58 2.282 -5.743 21.495 1.00 64.13 H new ATOM 0 HZ PHE A 58 1.573 -7.885 22.424 1.00 63.15 H new ATOM 864 N ILE A 59 -1.919 -6.062 15.414 1.00 32.03 N ATOM 865 CA ILE A 59 -2.814 -5.757 14.311 1.00 70.22 C ATOM 866 C ILE A 59 -4.248 -5.659 14.835 1.00 72.53 C ATOM 867 O ILE A 59 -5.038 -6.587 14.667 1.00 35.14 O ATOM 868 CB ILE A 59 -2.640 -6.776 13.182 1.00 5.35 C ATOM 869 CG1 ILE A 59 -1.268 -6.631 12.520 1.00 2.32 C ATOM 870 CG2 ILE A 59 -3.780 -6.671 12.168 1.00 41.32 C ATOM 871 CD1 ILE A 59 -1.042 -7.730 11.480 1.00 12.02 C ATOM 0 H ILE A 59 -2.187 -6.876 15.967 1.00 32.03 H new ATOM 0 HA ILE A 59 -2.566 -4.789 13.876 1.00 70.22 H new ATOM 0 HB ILE A 59 -2.685 -7.776 13.614 1.00 5.35 H new ATOM 0 HG12 ILE A 59 -1.192 -5.654 12.044 1.00 2.32 H new ATOM 0 HG13 ILE A 59 -0.487 -6.678 13.279 1.00 2.32 H new ATOM 0 HG21 ILE A 59 -3.632 -7.406 11.377 1.00 41.32 H new ATOM 0 HG22 ILE A 59 -4.730 -6.862 12.667 1.00 41.32 H new ATOM 0 HG23 ILE A 59 -3.792 -5.670 11.736 1.00 41.32 H new ATOM 0 HD11 ILE A 59 -0.060 -7.604 11.025 1.00 12.02 H new ATOM 0 HD12 ILE A 59 -1.095 -8.705 11.964 1.00 12.02 H new ATOM 0 HD13 ILE A 59 -1.810 -7.665 10.709 1.00 12.02 H new ATOM 883 N GLU A 60 -4.541 -4.528 15.458 1.00 4.33 N ATOM 884 CA GLU A 60 -5.866 -4.297 16.008 1.00 43.32 C ATOM 885 C GLU A 60 -6.933 -4.541 14.939 1.00 14.43 C ATOM 886 O GLU A 60 -6.621 -4.622 13.752 1.00 34.13 O ATOM 887 CB GLU A 60 -5.981 -2.885 16.586 1.00 51.10 C ATOM 888 CG GLU A 60 -5.168 -2.752 17.875 1.00 22.11 C ATOM 889 CD GLU A 60 -3.686 -2.526 17.568 1.00 71.24 C ATOM 890 OE1 GLU A 60 -2.825 -3.236 18.109 1.00 13.43 O ATOM 891 OE2 GLU A 60 -3.442 -1.574 16.732 1.00 64.42 O ATOM 0 H GLU A 60 -3.883 -3.761 15.594 1.00 4.33 H new ATOM 0 HA GLU A 60 -6.028 -5.002 16.824 1.00 43.32 H new ATOM 0 HB2 GLU A 60 -5.629 -2.159 15.853 1.00 51.10 H new ATOM 0 HB3 GLU A 60 -7.027 -2.654 16.786 1.00 51.10 H new ATOM 0 HG2 GLU A 60 -5.551 -1.921 18.467 1.00 22.11 H new ATOM 0 HG3 GLU A 60 -5.285 -3.653 18.477 1.00 22.11 H new ATOM 899 N GLU A 61 -8.171 -4.650 15.399 1.00 30.12 N ATOM 900 CA GLU A 61 -9.287 -4.883 14.498 1.00 65.04 C ATOM 901 C GLU A 61 -9.279 -3.853 13.366 1.00 25.21 C ATOM 902 O GLU A 61 -9.525 -4.194 12.210 1.00 11.22 O ATOM 903 CB GLU A 61 -10.617 -4.857 15.253 1.00 23.21 C ATOM 904 CG GLU A 61 -11.718 -5.549 14.448 1.00 73.23 C ATOM 905 CD GLU A 61 -13.043 -5.543 15.213 1.00 52.22 C ATOM 906 OE1 GLU A 61 -13.141 -4.917 16.279 1.00 44.33 O ATOM 907 OE2 GLU A 61 -13.994 -6.218 14.662 1.00 72.30 O ATOM 0 H GLU A 61 -8.426 -4.581 16.384 1.00 30.12 H new ATOM 0 HA GLU A 61 -9.175 -5.875 14.061 1.00 65.04 H new ATOM 0 HB2 GLU A 61 -10.501 -5.351 16.218 1.00 23.21 H new ATOM 0 HB3 GLU A 61 -10.904 -3.825 15.456 1.00 23.21 H new ATOM 0 HG2 GLU A 61 -11.845 -5.045 13.490 1.00 73.23 H new ATOM 0 HG3 GLU A 61 -11.424 -6.576 14.231 1.00 73.23 H new ATOM 915 N GLU A 62 -8.992 -2.614 13.739 1.00 75.34 N ATOM 916 CA GLU A 62 -8.949 -1.533 12.769 1.00 11.44 C ATOM 917 C GLU A 62 -7.831 -1.774 11.754 1.00 64.43 C ATOM 918 O GLU A 62 -7.886 -1.271 10.633 1.00 61.34 O ATOM 919 CB GLU A 62 -8.776 -0.181 13.464 1.00 2.51 C ATOM 920 CG GLU A 62 -9.979 0.137 14.354 1.00 54.02 C ATOM 921 CD GLU A 62 -9.813 1.496 15.037 1.00 50.15 C ATOM 922 OE1 GLU A 62 -9.761 1.566 16.273 1.00 2.35 O ATOM 923 OE2 GLU A 62 -9.736 2.503 14.234 1.00 11.54 O ATOM 0 H GLU A 62 -8.787 -2.335 14.699 1.00 75.34 H new ATOM 0 HA GLU A 62 -9.899 -1.512 12.235 1.00 11.44 H new ATOM 0 HB2 GLU A 62 -7.867 -0.191 14.065 1.00 2.51 H new ATOM 0 HB3 GLU A 62 -8.655 0.603 12.717 1.00 2.51 H new ATOM 0 HG2 GLU A 62 -10.889 0.136 13.755 1.00 54.02 H new ATOM 0 HG3 GLU A 62 -10.093 -0.641 15.108 1.00 54.02 H new ATOM 931 N GLU A 63 -6.842 -2.545 12.183 1.00 43.33 N ATOM 932 CA GLU A 63 -5.712 -2.859 11.325 1.00 60.44 C ATOM 933 C GLU A 63 -6.011 -4.106 10.490 1.00 63.23 C ATOM 934 O GLU A 63 -5.574 -4.210 9.344 1.00 11.24 O ATOM 935 CB GLU A 63 -4.434 -3.043 12.146 1.00 51.43 C ATOM 936 CG GLU A 63 -3.973 -1.713 12.746 1.00 22.13 C ATOM 937 CD GLU A 63 -2.467 -1.727 13.017 1.00 41.13 C ATOM 938 OE1 GLU A 63 -1.727 -1.252 12.129 1.00 44.33 O ATOM 939 OE2 GLU A 63 -2.090 -2.212 14.105 1.00 33.14 O ATOM 0 H GLU A 63 -6.800 -2.961 13.113 1.00 43.33 H new ATOM 0 HA GLU A 63 -5.551 -2.021 10.647 1.00 60.44 H new ATOM 0 HB2 GLU A 63 -4.610 -3.764 12.944 1.00 51.43 H new ATOM 0 HB3 GLU A 63 -3.647 -3.453 11.514 1.00 51.43 H new ATOM 0 HG2 GLU A 63 -4.216 -0.898 12.064 1.00 22.13 H new ATOM 0 HG3 GLU A 63 -4.512 -1.523 13.674 1.00 22.13 H new ATOM 946 N LEU A 64 -6.753 -5.021 11.096 1.00 63.34 N ATOM 947 CA LEU A 64 -7.115 -6.257 10.422 1.00 1.02 C ATOM 948 C LEU A 64 -7.738 -5.929 9.064 1.00 42.21 C ATOM 949 O LEU A 64 -7.285 -6.425 8.033 1.00 10.43 O ATOM 950 CB LEU A 64 -8.011 -7.113 11.319 1.00 33.12 C ATOM 951 CG LEU A 64 -7.292 -8.109 12.231 1.00 31.13 C ATOM 952 CD1 LEU A 64 -8.275 -8.779 13.193 1.00 23.55 C ATOM 953 CD2 LEU A 64 -6.504 -9.133 11.412 1.00 42.32 C ATOM 0 H LEU A 64 -7.113 -4.932 12.046 1.00 63.34 H new ATOM 0 HA LEU A 64 -6.228 -6.860 10.228 1.00 1.02 H new ATOM 0 HB2 LEU A 64 -8.610 -6.448 11.941 1.00 33.12 H new ATOM 0 HB3 LEU A 64 -8.704 -7.666 10.685 1.00 33.12 H new ATOM 0 HG LEU A 64 -6.572 -7.559 12.837 1.00 31.13 H new ATOM 0 HD11 LEU A 64 -7.739 -9.482 13.830 1.00 23.55 H new ATOM 0 HD12 LEU A 64 -8.753 -8.020 13.812 1.00 23.55 H new ATOM 0 HD13 LEU A 64 -9.035 -9.313 12.623 1.00 23.55 H new ATOM 0 HD21 LEU A 64 -6.003 -9.829 12.085 1.00 42.32 H new ATOM 0 HD22 LEU A 64 -7.186 -9.683 10.764 1.00 42.32 H new ATOM 0 HD23 LEU A 64 -5.761 -8.618 10.803 1.00 42.32 H new ATOM 965 N LYS A 65 -8.767 -5.095 9.106 1.00 22.35 N ATOM 966 CA LYS A 65 -9.457 -4.695 7.892 1.00 65.12 C ATOM 967 C LYS A 65 -8.438 -4.150 6.888 1.00 33.03 C ATOM 968 O LYS A 65 -8.703 -4.113 5.688 1.00 53.23 O ATOM 969 CB LYS A 65 -10.586 -3.715 8.215 1.00 33.42 C ATOM 970 CG LYS A 65 -10.028 -2.373 8.691 1.00 12.35 C ATOM 971 CD LYS A 65 -11.038 -1.643 9.579 1.00 54.21 C ATOM 972 CE LYS A 65 -12.344 -1.383 8.825 1.00 70.54 C ATOM 973 NZ LYS A 65 -12.135 -0.381 7.756 1.00 62.10 N ATOM 0 H LYS A 65 -9.139 -4.685 9.963 1.00 22.35 H new ATOM 0 HA LYS A 65 -9.937 -5.555 7.426 1.00 65.12 H new ATOM 0 HB2 LYS A 65 -11.204 -3.563 7.330 1.00 33.42 H new ATOM 0 HB3 LYS A 65 -11.231 -4.139 8.985 1.00 33.42 H new ATOM 0 HG2 LYS A 65 -9.103 -2.535 9.244 1.00 12.35 H new ATOM 0 HG3 LYS A 65 -9.780 -1.752 7.830 1.00 12.35 H new ATOM 0 HD2 LYS A 65 -11.240 -2.237 10.470 1.00 54.21 H new ATOM 0 HD3 LYS A 65 -10.614 -0.697 9.916 1.00 54.21 H new ATOM 0 HE2 LYS A 65 -12.712 -2.313 8.393 1.00 70.54 H new ATOM 0 HE3 LYS A 65 -13.107 -1.030 9.519 1.00 70.54 H new ATOM 0 HZ1 LYS A 65 -12.831 0.385 7.857 1.00 62.10 H new ATOM 0 HZ2 LYS A 65 -11.175 0.011 7.831 1.00 62.10 H new ATOM 0 HZ3 LYS A 65 -12.252 -0.834 6.827 1.00 62.10 H new ATOM 986 N LEU A 66 -7.295 -3.741 7.417 1.00 3.34 N ATOM 987 CA LEU A 66 -6.235 -3.199 6.583 1.00 74.40 C ATOM 988 C LEU A 66 -5.278 -4.325 6.187 1.00 30.32 C ATOM 989 O LEU A 66 -4.101 -4.081 5.925 1.00 55.15 O ATOM 990 CB LEU A 66 -5.548 -2.026 7.284 1.00 52.31 C ATOM 991 CG LEU A 66 -6.474 -0.944 7.844 1.00 22.15 C ATOM 992 CD1 LEU A 66 -5.678 0.118 8.606 1.00 31.31 C ATOM 993 CD2 LEU A 66 -7.334 -0.331 6.738 1.00 74.32 C ATOM 0 H LEU A 66 -7.079 -3.774 8.413 1.00 3.34 H new ATOM 0 HA LEU A 66 -6.647 -2.791 5.660 1.00 74.40 H new ATOM 0 HB2 LEU A 66 -4.946 -2.420 8.102 1.00 52.31 H new ATOM 0 HB3 LEU A 66 -4.861 -1.559 6.579 1.00 52.31 H new ATOM 0 HG LEU A 66 -7.153 -1.412 8.557 1.00 22.15 H new ATOM 0 HD11 LEU A 66 -6.360 0.875 8.994 1.00 31.31 H new ATOM 0 HD12 LEU A 66 -5.147 -0.350 9.435 1.00 31.31 H new ATOM 0 HD13 LEU A 66 -4.960 0.587 7.933 1.00 31.31 H new ATOM 0 HD21 LEU A 66 -7.983 0.435 7.164 1.00 74.32 H new ATOM 0 HD22 LEU A 66 -6.689 0.118 5.983 1.00 74.32 H new ATOM 0 HD23 LEU A 66 -7.944 -1.109 6.278 1.00 74.32 H new ATOM 1005 N PHE A 67 -5.818 -5.535 6.157 1.00 11.21 N ATOM 1006 CA PHE A 67 -5.027 -6.699 5.798 1.00 65.12 C ATOM 1007 C PHE A 67 -4.819 -6.775 4.284 1.00 70.22 C ATOM 1008 O PHE A 67 -4.208 -7.718 3.784 1.00 20.50 O ATOM 1009 CB PHE A 67 -5.810 -7.931 6.256 1.00 42.02 C ATOM 1010 CG PHE A 67 -5.272 -9.252 5.702 1.00 44.11 C ATOM 1011 CD1 PHE A 67 -3.959 -9.571 5.860 1.00 31.22 C ATOM 1012 CD2 PHE A 67 -6.106 -10.107 5.051 1.00 3.43 C ATOM 1013 CE1 PHE A 67 -3.460 -10.797 5.346 1.00 4.11 C ATOM 1014 CE2 PHE A 67 -5.606 -11.332 4.537 1.00 32.41 C ATOM 1015 CZ PHE A 67 -4.294 -11.652 4.695 1.00 3.34 C ATOM 0 H PHE A 67 -6.794 -5.734 6.376 1.00 11.21 H new ATOM 0 HA PHE A 67 -4.046 -6.642 6.270 1.00 65.12 H new ATOM 0 HB2 PHE A 67 -5.796 -7.973 7.345 1.00 42.02 H new ATOM 0 HB3 PHE A 67 -6.851 -7.820 5.954 1.00 42.02 H new ATOM 0 HD1 PHE A 67 -3.296 -8.892 6.376 1.00 31.22 H new ATOM 0 HD2 PHE A 67 -7.148 -9.854 4.925 1.00 3.43 H new ATOM 0 HE1 PHE A 67 -2.418 -11.051 5.472 1.00 4.11 H new ATOM 0 HE2 PHE A 67 -6.268 -12.011 4.020 1.00 32.41 H new ATOM 0 HZ PHE A 67 -3.914 -12.584 4.304 1.00 3.34 H new ATOM 1025 N LEU A 68 -5.339 -5.769 3.596 1.00 34.41 N ATOM 1026 CA LEU A 68 -5.219 -5.710 2.149 1.00 21.52 C ATOM 1027 C LEU A 68 -4.431 -4.459 1.758 1.00 1.31 C ATOM 1028 O LEU A 68 -4.085 -4.278 0.592 1.00 53.25 O ATOM 1029 CB LEU A 68 -6.598 -5.799 1.493 1.00 70.13 C ATOM 1030 CG LEU A 68 -7.302 -7.154 1.591 1.00 22.10 C ATOM 1031 CD1 LEU A 68 -8.495 -7.223 0.636 1.00 40.21 C ATOM 1032 CD2 LEU A 68 -6.317 -8.302 1.361 1.00 45.32 C ATOM 0 H LEU A 68 -5.845 -4.988 4.014 1.00 34.41 H new ATOM 0 HA LEU A 68 -4.659 -6.568 1.778 1.00 21.52 H new ATOM 0 HB2 LEU A 68 -7.242 -5.044 1.944 1.00 70.13 H new ATOM 0 HB3 LEU A 68 -6.494 -5.541 0.439 1.00 70.13 H new ATOM 0 HG LEU A 68 -7.693 -7.263 2.603 1.00 22.10 H new ATOM 0 HD11 LEU A 68 -8.977 -8.196 0.726 1.00 40.21 H new ATOM 0 HD12 LEU A 68 -9.209 -6.439 0.889 1.00 40.21 H new ATOM 0 HD13 LEU A 68 -8.150 -7.082 -0.388 1.00 40.21 H new ATOM 0 HD21 LEU A 68 -6.843 -9.254 1.436 1.00 45.32 H new ATOM 0 HD22 LEU A 68 -5.875 -8.209 0.369 1.00 45.32 H new ATOM 0 HD23 LEU A 68 -5.530 -8.262 2.114 1.00 45.32 H new ATOM 1044 N GLN A 69 -4.170 -3.627 2.756 1.00 43.03 N ATOM 1045 CA GLN A 69 -3.429 -2.397 2.531 1.00 62.44 C ATOM 1046 C GLN A 69 -1.928 -2.645 2.691 1.00 24.33 C ATOM 1047 O GLN A 69 -1.126 -1.721 2.568 1.00 4.25 O ATOM 1048 CB GLN A 69 -3.905 -1.290 3.472 1.00 15.22 C ATOM 1049 CG GLN A 69 -5.106 -0.547 2.882 1.00 31.41 C ATOM 1050 CD GLN A 69 -5.735 0.388 3.917 1.00 72.32 C ATOM 1051 OE1 GLN A 69 -5.074 0.923 4.791 1.00 23.12 O ATOM 1052 NE2 GLN A 69 -7.046 0.554 3.769 1.00 35.14 N ATOM 0 H GLN A 69 -4.458 -3.780 3.722 1.00 43.03 H new ATOM 0 HA GLN A 69 -3.616 -2.065 1.510 1.00 62.44 H new ATOM 0 HB2 GLN A 69 -4.177 -1.719 4.436 1.00 15.22 H new ATOM 0 HB3 GLN A 69 -3.092 -0.587 3.654 1.00 15.22 H new ATOM 0 HG2 GLN A 69 -4.790 0.028 2.011 1.00 31.41 H new ATOM 0 HG3 GLN A 69 -5.849 -1.266 2.537 1.00 31.41 H new ATOM 0 HE21 GLN A 69 -7.539 0.076 3.015 1.00 35.14 H new ATOM 0 HE22 GLN A 69 -7.559 1.160 4.410 1.00 35.14 H new ATOM 1061 N ASN A 70 -1.593 -3.898 2.964 1.00 42.14 N ATOM 1062 CA ASN A 70 -0.202 -4.279 3.142 1.00 11.04 C ATOM 1063 C ASN A 70 0.414 -4.599 1.779 1.00 40.52 C ATOM 1064 O ASN A 70 1.523 -4.160 1.477 1.00 72.24 O ATOM 1065 CB ASN A 70 -0.081 -5.526 4.020 1.00 72.52 C ATOM 1066 CG ASN A 70 -0.561 -6.772 3.271 1.00 4.23 C ATOM 1067 OD1 ASN A 70 -1.872 -6.981 3.353 1.00 32.24 O flip ATOM 1068 ND2 ASN A 70 0.209 -7.495 2.660 1.00 44.43 N flip ATOM 0 H ASN A 70 -2.261 -4.662 3.066 1.00 42.14 H new ATOM 0 HA ASN A 70 0.316 -3.448 3.621 1.00 11.04 H new ATOM 0 HB2 ASN A 70 0.956 -5.659 4.328 1.00 72.52 H new ATOM 0 HB3 ASN A 70 -0.669 -5.394 4.928 1.00 72.52 H new ATOM 0 HD21 ASN A 70 1.205 -7.276 2.638 1.00 44.43 H new ATOM 0 HD22 ASN A 70 -0.143 -8.318 2.172 1.00 44.43 H new ATOM 1075 N PHE A 71 -0.332 -5.360 0.992 1.00 50.21 N ATOM 1076 CA PHE A 71 0.127 -5.743 -0.332 1.00 71.24 C ATOM 1077 C PHE A 71 -0.165 -4.642 -1.354 1.00 30.11 C ATOM 1078 O PHE A 71 -0.010 -4.849 -2.556 1.00 60.25 O ATOM 1079 CB PHE A 71 -0.645 -7.005 -0.725 1.00 45.43 C ATOM 1080 CG PHE A 71 -0.484 -8.164 0.260 1.00 61.33 C ATOM 1081 CD1 PHE A 71 0.746 -8.700 0.485 1.00 73.13 C ATOM 1082 CD2 PHE A 71 -1.571 -8.659 0.910 1.00 22.52 C ATOM 1083 CE1 PHE A 71 0.895 -9.776 1.399 1.00 72.42 C ATOM 1084 CE2 PHE A 71 -1.422 -9.736 1.824 1.00 2.13 C ATOM 1085 CZ PHE A 71 -0.192 -10.272 2.049 1.00 11.43 C ATOM 0 H PHE A 71 -1.251 -5.722 1.246 1.00 50.21 H new ATOM 0 HA PHE A 71 1.204 -5.912 -0.318 1.00 71.24 H new ATOM 0 HB2 PHE A 71 -1.703 -6.759 -0.811 1.00 45.43 H new ATOM 0 HB3 PHE A 71 -0.312 -7.330 -1.711 1.00 45.43 H new ATOM 0 HD1 PHE A 71 1.609 -8.307 -0.032 1.00 73.13 H new ATOM 0 HD2 PHE A 71 -2.547 -8.233 0.731 1.00 22.52 H new ATOM 0 HE1 PHE A 71 1.872 -10.201 1.578 1.00 72.42 H new ATOM 0 HE2 PHE A 71 -2.285 -10.129 2.340 1.00 2.13 H new ATOM 0 HZ PHE A 71 -0.079 -11.091 2.744 1.00 11.43 H new ATOM 1095 N LYS A 72 -0.583 -3.496 -0.838 1.00 5.35 N ATOM 1096 CA LYS A 72 -0.898 -2.362 -1.690 1.00 4.33 C ATOM 1097 C LYS A 72 -1.329 -1.179 -0.819 1.00 63.55 C ATOM 1098 O LYS A 72 -1.807 -1.368 0.298 1.00 73.52 O ATOM 1099 CB LYS A 72 -1.931 -2.757 -2.747 1.00 11.54 C ATOM 1100 CG LYS A 72 -1.625 -2.089 -4.089 1.00 13.21 C ATOM 1101 CD LYS A 72 -2.547 -0.892 -4.328 1.00 54.44 C ATOM 1102 CE LYS A 72 -2.717 -0.621 -5.825 1.00 34.33 C ATOM 1103 NZ LYS A 72 -3.368 0.690 -6.044 1.00 22.02 N ATOM 0 H LYS A 72 -0.711 -3.328 0.160 1.00 5.35 H new ATOM 0 HA LYS A 72 -0.015 -2.045 -2.244 1.00 4.33 H new ATOM 0 HB2 LYS A 72 -1.936 -3.840 -2.869 1.00 11.54 H new ATOM 0 HB3 LYS A 72 -2.928 -2.469 -2.412 1.00 11.54 H new ATOM 0 HG2 LYS A 72 -0.586 -1.761 -4.108 1.00 13.21 H new ATOM 0 HG3 LYS A 72 -1.746 -2.812 -4.895 1.00 13.21 H new ATOM 0 HD2 LYS A 72 -3.521 -1.082 -3.876 1.00 54.44 H new ATOM 0 HD3 LYS A 72 -2.136 -0.009 -3.839 1.00 54.44 H new ATOM 0 HE2 LYS A 72 -1.744 -0.637 -6.316 1.00 34.33 H new ATOM 0 HE3 LYS A 72 -3.316 -1.411 -6.278 1.00 34.33 H new ATOM 0 HZ1 LYS A 72 -3.476 0.858 -7.065 1.00 22.02 H new ATOM 0 HZ2 LYS A 72 -4.305 0.692 -5.592 1.00 22.02 H new ATOM 0 HZ3 LYS A 72 -2.782 1.442 -5.629 1.00 22.02 H new ATOM 1116 N ALA A 73 -1.144 0.014 -1.364 1.00 65.14 N ATOM 1117 CA ALA A 73 -1.507 1.227 -0.652 1.00 33.33 C ATOM 1118 C ALA A 73 -2.778 1.814 -1.269 1.00 50.10 C ATOM 1119 O ALA A 73 -3.002 3.022 -1.206 1.00 42.04 O ATOM 1120 CB ALA A 73 -0.335 2.209 -0.685 1.00 11.45 C ATOM 0 H ALA A 73 -0.747 0.167 -2.291 1.00 65.14 H new ATOM 0 HA ALA A 73 -1.719 1.009 0.395 1.00 33.33 H new ATOM 0 HB1 ALA A 73 -0.608 3.119 -0.151 1.00 11.45 H new ATOM 0 HB2 ALA A 73 0.534 1.755 -0.208 1.00 11.45 H new ATOM 0 HB3 ALA A 73 -0.095 2.454 -1.720 1.00 11.45 H new ATOM 1126 N GLY A 74 -3.577 0.932 -1.851 1.00 51.12 N ATOM 1127 CA GLY A 74 -4.820 1.348 -2.479 1.00 45.24 C ATOM 1128 C GLY A 74 -5.853 0.220 -2.450 1.00 51.43 C ATOM 1129 O GLY A 74 -6.800 0.221 -3.236 1.00 23.42 O ATOM 0 H GLY A 74 -3.388 -0.069 -1.901 1.00 51.12 H new ATOM 0 HA2 GLY A 74 -5.217 2.223 -1.964 1.00 45.24 H new ATOM 0 HA3 GLY A 74 -4.629 1.645 -3.510 1.00 45.24 H new ATOM 1133 N ALA A 75 -5.637 -0.714 -1.536 1.00 42.02 N ATOM 1134 CA ALA A 75 -6.538 -1.845 -1.394 1.00 63.14 C ATOM 1135 C ALA A 75 -7.605 -1.514 -0.349 1.00 41.34 C ATOM 1136 O ALA A 75 -7.301 -0.928 0.689 1.00 55.33 O ATOM 1137 CB ALA A 75 -5.734 -3.095 -1.031 1.00 73.51 C ATOM 0 H ALA A 75 -4.851 -0.711 -0.886 1.00 42.02 H new ATOM 0 HA ALA A 75 -7.050 -2.048 -2.334 1.00 63.14 H new ATOM 0 HB1 ALA A 75 -6.409 -3.944 -0.924 1.00 73.51 H new ATOM 0 HB2 ALA A 75 -5.010 -3.304 -1.819 1.00 73.51 H new ATOM 0 HB3 ALA A 75 -5.208 -2.929 -0.091 1.00 73.51 H new ATOM 1143 N ARG A 76 -8.833 -1.903 -0.660 1.00 23.11 N ATOM 1144 CA ARG A 76 -9.947 -1.655 0.239 1.00 4.35 C ATOM 1145 C ARG A 76 -9.681 -2.295 1.603 1.00 22.32 C ATOM 1146 O ARG A 76 -8.574 -2.762 1.868 1.00 33.54 O ATOM 1147 CB ARG A 76 -11.251 -2.212 -0.333 1.00 33.43 C ATOM 1148 CG ARG A 76 -11.198 -3.738 -0.434 1.00 65.14 C ATOM 1149 CD ARG A 76 -12.602 -4.341 -0.375 1.00 73.43 C ATOM 1150 NE ARG A 76 -12.525 -5.815 -0.484 1.00 71.35 N ATOM 1151 CZ ARG A 76 -13.460 -6.660 -0.001 1.00 34.14 C ATOM 1152 NH1 ARG A 76 -13.289 -7.960 -0.154 1.00 55.00 N ATOM 1153 NH2 ARG A 76 -14.554 -6.183 0.631 1.00 41.31 N ATOM 0 H ARG A 76 -9.081 -2.388 -1.522 1.00 23.11 H new ATOM 0 HA ARG A 76 -10.046 -0.576 0.354 1.00 4.35 H new ATOM 0 HB2 ARG A 76 -12.087 -1.915 0.301 1.00 33.43 H new ATOM 0 HB3 ARG A 76 -11.431 -1.785 -1.319 1.00 33.43 H new ATOM 0 HG2 ARG A 76 -10.713 -4.028 -1.366 1.00 65.14 H new ATOM 0 HG3 ARG A 76 -10.592 -4.139 0.378 1.00 65.14 H new ATOM 0 HD2 ARG A 76 -13.087 -4.062 0.560 1.00 73.43 H new ATOM 0 HD3 ARG A 76 -13.213 -3.940 -1.183 1.00 73.43 H new ATOM 0 HE ARG A 76 -11.714 -6.218 -0.954 1.00 71.35 H new ATOM 0 HH11 ARG A 76 -12.459 -8.313 -0.631 1.00 55.00 H new ATOM 0 HH12 ARG A 76 -13.986 -8.612 0.205 1.00 55.00 H new ATOM 0 HH21 ARG A 76 -14.678 -5.177 0.746 1.00 41.31 H new ATOM 0 HH22 ARG A 76 -15.256 -6.829 0.993 1.00 41.31 H new ATOM 1166 N ALA A 77 -10.714 -2.297 2.432 1.00 12.43 N ATOM 1167 CA ALA A 77 -10.606 -2.872 3.762 1.00 32.21 C ATOM 1168 C ALA A 77 -11.672 -3.957 3.932 1.00 51.42 C ATOM 1169 O ALA A 77 -12.818 -3.776 3.522 1.00 45.23 O ATOM 1170 CB ALA A 77 -10.730 -1.764 4.810 1.00 62.13 C ATOM 0 H ALA A 77 -11.631 -1.909 2.208 1.00 12.43 H new ATOM 0 HA ALA A 77 -9.632 -3.342 3.898 1.00 32.21 H new ATOM 0 HB1 ALA A 77 -10.649 -2.196 5.807 1.00 62.13 H new ATOM 0 HB2 ALA A 77 -9.933 -1.035 4.664 1.00 62.13 H new ATOM 0 HB3 ALA A 77 -11.696 -1.271 4.706 1.00 62.13 H new ATOM 1176 N LEU A 78 -11.257 -5.060 4.537 1.00 12.32 N ATOM 1177 CA LEU A 78 -12.162 -6.173 4.766 1.00 30.32 C ATOM 1178 C LEU A 78 -13.413 -5.668 5.487 1.00 33.04 C ATOM 1179 O LEU A 78 -13.323 -4.821 6.375 1.00 71.20 O ATOM 1180 CB LEU A 78 -11.443 -7.305 5.502 1.00 22.45 C ATOM 1181 CG LEU A 78 -10.359 -8.039 4.710 1.00 51.13 C ATOM 1182 CD1 LEU A 78 -10.807 -8.285 3.268 1.00 62.43 C ATOM 1183 CD2 LEU A 78 -9.028 -7.288 4.776 1.00 1.41 C ATOM 0 H LEU A 78 -10.306 -5.207 4.876 1.00 12.32 H new ATOM 0 HA LEU A 78 -12.490 -6.598 3.818 1.00 30.32 H new ATOM 0 HB2 LEU A 78 -10.990 -6.895 6.405 1.00 22.45 H new ATOM 0 HB3 LEU A 78 -12.188 -8.034 5.822 1.00 22.45 H new ATOM 0 HG LEU A 78 -10.201 -9.015 5.170 1.00 51.13 H new ATOM 0 HD11 LEU A 78 -10.019 -8.808 2.726 1.00 62.43 H new ATOM 0 HD12 LEU A 78 -11.712 -8.892 3.267 1.00 62.43 H new ATOM 0 HD13 LEU A 78 -11.009 -7.331 2.782 1.00 62.43 H new ATOM 0 HD21 LEU A 78 -8.275 -7.831 4.205 1.00 1.41 H new ATOM 0 HD22 LEU A 78 -9.152 -6.290 4.356 1.00 1.41 H new ATOM 0 HD23 LEU A 78 -8.707 -7.207 5.815 1.00 1.41 H new ATOM 1195 N SER A 79 -14.552 -6.209 5.079 1.00 3.01 N ATOM 1196 CA SER A 79 -15.820 -5.824 5.675 1.00 4.42 C ATOM 1197 C SER A 79 -15.818 -6.157 7.169 1.00 53.54 C ATOM 1198 O SER A 79 -14.976 -6.921 7.637 1.00 1.53 O ATOM 1199 CB SER A 79 -16.990 -6.519 4.977 1.00 12.14 C ATOM 1200 OG SER A 79 -18.233 -6.243 5.617 1.00 32.13 O ATOM 0 H SER A 79 -14.623 -6.911 4.343 1.00 3.01 H new ATOM 0 HA SER A 79 -15.945 -4.749 5.549 1.00 4.42 H new ATOM 0 HB2 SER A 79 -17.037 -6.194 3.938 1.00 12.14 H new ATOM 0 HB3 SER A 79 -16.819 -7.595 4.967 1.00 12.14 H new ATOM 0 HG SER A 79 -18.955 -6.703 5.141 1.00 32.13 H new ATOM 1206 N ASP A 80 -16.772 -5.567 7.874 1.00 2.35 N ATOM 1207 CA ASP A 80 -16.891 -5.791 9.305 1.00 35.01 C ATOM 1208 C ASP A 80 -16.921 -7.296 9.580 1.00 4.23 C ATOM 1209 O ASP A 80 -16.541 -7.740 10.663 1.00 42.04 O ATOM 1210 CB ASP A 80 -18.186 -5.185 9.851 1.00 21.52 C ATOM 1211 CG ASP A 80 -19.370 -5.208 8.882 1.00 23.32 C ATOM 1212 OD1 ASP A 80 -20.119 -6.194 8.812 1.00 64.11 O ATOM 1213 OD2 ASP A 80 -19.511 -4.143 8.169 1.00 13.53 O ATOM 0 H ASP A 80 -17.469 -4.935 7.481 1.00 2.35 H new ATOM 0 HA ASP A 80 -16.038 -5.319 9.793 1.00 35.01 H new ATOM 0 HB2 ASP A 80 -18.467 -5.722 10.757 1.00 21.52 H new ATOM 0 HB3 ASP A 80 -17.992 -4.152 10.140 1.00 21.52 H new ATOM 1219 N ALA A 81 -17.375 -8.039 8.582 1.00 41.11 N ATOM 1220 CA ALA A 81 -17.459 -9.484 8.703 1.00 65.53 C ATOM 1221 C ALA A 81 -16.126 -10.105 8.277 1.00 34.43 C ATOM 1222 O ALA A 81 -15.525 -10.869 9.031 1.00 63.02 O ATOM 1223 CB ALA A 81 -18.634 -9.999 7.870 1.00 72.41 C ATOM 0 H ALA A 81 -17.689 -7.667 7.685 1.00 41.11 H new ATOM 0 HA ALA A 81 -17.642 -9.772 9.738 1.00 65.53 H new ATOM 0 HB1 ALA A 81 -18.697 -11.083 7.961 1.00 72.41 H new ATOM 0 HB2 ALA A 81 -19.560 -9.550 8.230 1.00 72.41 H new ATOM 0 HB3 ALA A 81 -18.484 -9.731 6.824 1.00 72.41 H new ATOM 1229 N GLU A 82 -15.705 -9.755 7.071 1.00 0.53 N ATOM 1230 CA GLU A 82 -14.455 -10.268 6.537 1.00 52.25 C ATOM 1231 C GLU A 82 -13.354 -10.195 7.597 1.00 54.33 C ATOM 1232 O GLU A 82 -12.578 -11.135 7.756 1.00 21.12 O ATOM 1233 CB GLU A 82 -14.048 -9.511 5.271 1.00 54.13 C ATOM 1234 CG GLU A 82 -14.939 -9.900 4.089 1.00 64.51 C ATOM 1235 CD GLU A 82 -14.944 -8.804 3.022 1.00 52.02 C ATOM 1236 OE1 GLU A 82 -15.976 -8.150 2.810 1.00 34.31 O ATOM 1237 OE2 GLU A 82 -13.825 -8.640 2.402 1.00 23.42 O ATOM 0 H GLU A 82 -16.207 -9.122 6.448 1.00 0.53 H new ATOM 0 HA GLU A 82 -14.601 -11.313 6.265 1.00 52.25 H new ATOM 0 HB2 GLU A 82 -14.119 -8.438 5.446 1.00 54.13 H new ATOM 0 HB3 GLU A 82 -13.007 -9.727 5.033 1.00 54.13 H new ATOM 0 HG2 GLU A 82 -14.584 -10.834 3.654 1.00 64.51 H new ATOM 0 HG3 GLU A 82 -15.956 -10.077 4.439 1.00 64.51 H new ATOM 1245 N THR A 83 -13.323 -9.069 8.294 1.00 45.40 N ATOM 1246 CA THR A 83 -12.330 -8.860 9.334 1.00 23.44 C ATOM 1247 C THR A 83 -12.572 -9.819 10.502 1.00 62.11 C ATOM 1248 O THR A 83 -11.627 -10.252 11.161 1.00 55.52 O ATOM 1249 CB THR A 83 -12.372 -7.386 9.740 1.00 11.12 C ATOM 1250 OG1 THR A 83 -11.843 -6.699 8.609 1.00 34.20 O ATOM 1251 CG2 THR A 83 -11.389 -7.060 10.867 1.00 74.03 C ATOM 0 H THR A 83 -13.970 -8.292 8.159 1.00 45.40 H new ATOM 0 HA THR A 83 -11.326 -9.083 8.973 1.00 23.44 H new ATOM 0 HB THR A 83 -13.383 -7.125 10.053 1.00 11.12 H new ATOM 0 HG1 THR A 83 -12.568 -6.239 8.137 1.00 34.20 H new ATOM 0 HG21 THR A 83 -11.460 -6.001 11.116 1.00 74.03 H new ATOM 0 HG22 THR A 83 -11.632 -7.657 11.746 1.00 74.03 H new ATOM 0 HG23 THR A 83 -10.374 -7.289 10.542 1.00 74.03 H new ATOM 1259 N LYS A 84 -13.842 -10.123 10.722 1.00 33.34 N ATOM 1260 CA LYS A 84 -14.221 -11.023 11.799 1.00 44.11 C ATOM 1261 C LYS A 84 -13.692 -12.426 11.495 1.00 45.11 C ATOM 1262 O LYS A 84 -13.205 -13.117 12.389 1.00 44.34 O ATOM 1263 CB LYS A 84 -15.732 -10.973 12.033 1.00 42.21 C ATOM 1264 CG LYS A 84 -16.082 -9.980 13.143 1.00 31.24 C ATOM 1265 CD LYS A 84 -17.531 -10.158 13.601 1.00 53.14 C ATOM 1266 CE LYS A 84 -18.509 -9.709 12.512 1.00 25.41 C ATOM 1267 NZ LYS A 84 -19.881 -9.611 13.057 1.00 73.34 N ATOM 0 H LYS A 84 -14.622 -9.762 10.173 1.00 33.34 H new ATOM 0 HA LYS A 84 -13.766 -10.706 12.738 1.00 44.11 H new ATOM 0 HB2 LYS A 84 -16.237 -10.686 11.111 1.00 42.21 H new ATOM 0 HB3 LYS A 84 -16.095 -11.965 12.300 1.00 42.21 H new ATOM 0 HG2 LYS A 84 -15.409 -10.123 13.989 1.00 31.24 H new ATOM 0 HG3 LYS A 84 -15.932 -8.961 12.785 1.00 31.24 H new ATOM 0 HD2 LYS A 84 -17.712 -11.204 13.849 1.00 53.14 H new ATOM 0 HD3 LYS A 84 -17.703 -9.581 14.510 1.00 53.14 H new ATOM 0 HE2 LYS A 84 -18.200 -8.743 12.113 1.00 25.41 H new ATOM 0 HE3 LYS A 84 -18.490 -10.417 11.683 1.00 25.41 H new ATOM 0 HZ1 LYS A 84 -20.532 -9.305 12.306 1.00 73.34 H new ATOM 0 HZ2 LYS A 84 -20.179 -10.540 13.416 1.00 73.34 H new ATOM 0 HZ3 LYS A 84 -19.898 -8.918 13.833 1.00 73.34 H new ATOM 1280 N ALA A 85 -13.805 -12.805 10.231 1.00 60.34 N ATOM 1281 CA ALA A 85 -13.344 -14.114 9.798 1.00 51.54 C ATOM 1282 C ALA A 85 -11.820 -14.178 9.916 1.00 10.43 C ATOM 1283 O ALA A 85 -11.276 -15.134 10.466 1.00 73.21 O ATOM 1284 CB ALA A 85 -13.830 -14.380 8.371 1.00 5.43 C ATOM 0 H ALA A 85 -14.209 -12.229 9.492 1.00 60.34 H new ATOM 0 HA ALA A 85 -13.757 -14.896 10.435 1.00 51.54 H new ATOM 0 HB1 ALA A 85 -13.485 -15.361 8.046 1.00 5.43 H new ATOM 0 HB2 ALA A 85 -14.919 -14.352 8.347 1.00 5.43 H new ATOM 0 HB3 ALA A 85 -13.433 -13.616 7.703 1.00 5.43 H new ATOM 1290 N PHE A 86 -11.174 -13.147 9.392 1.00 42.31 N ATOM 1291 CA PHE A 86 -9.723 -13.074 9.432 1.00 11.21 C ATOM 1292 C PHE A 86 -9.226 -12.816 10.856 1.00 14.41 C ATOM 1293 O PHE A 86 -8.040 -12.969 11.141 1.00 64.33 O ATOM 1294 CB PHE A 86 -9.309 -11.902 8.540 1.00 13.30 C ATOM 1295 CG PHE A 86 -7.814 -11.860 8.221 1.00 65.51 C ATOM 1296 CD1 PHE A 86 -7.128 -10.690 8.325 1.00 70.41 C ATOM 1297 CD2 PHE A 86 -7.169 -12.994 7.833 1.00 14.21 C ATOM 1298 CE1 PHE A 86 -5.740 -10.652 8.029 1.00 62.23 C ATOM 1299 CE2 PHE A 86 -5.781 -12.955 7.537 1.00 72.52 C ATOM 1300 CZ PHE A 86 -5.096 -11.785 7.641 1.00 63.42 C ATOM 0 H PHE A 86 -11.629 -12.355 8.937 1.00 42.31 H new ATOM 0 HA PHE A 86 -9.294 -14.016 9.091 1.00 11.21 H new ATOM 0 HB2 PHE A 86 -9.868 -11.955 7.606 1.00 13.30 H new ATOM 0 HB3 PHE A 86 -9.592 -10.970 9.028 1.00 13.30 H new ATOM 0 HD1 PHE A 86 -7.639 -9.790 8.633 1.00 70.41 H new ATOM 0 HD2 PHE A 86 -7.713 -13.923 7.750 1.00 14.21 H new ATOM 0 HE1 PHE A 86 -5.196 -9.723 8.112 1.00 62.23 H new ATOM 0 HE2 PHE A 86 -5.269 -13.855 7.229 1.00 72.52 H new ATOM 0 HZ PHE A 86 -4.040 -11.756 7.415 1.00 63.42 H new ATOM 1310 N LEU A 87 -10.160 -12.428 11.713 1.00 45.21 N ATOM 1311 CA LEU A 87 -9.831 -12.147 13.100 1.00 14.13 C ATOM 1312 C LEU A 87 -9.829 -13.455 13.894 1.00 4.11 C ATOM 1313 O LEU A 87 -8.829 -13.803 14.521 1.00 42.24 O ATOM 1314 CB LEU A 87 -10.774 -11.084 13.669 1.00 21.42 C ATOM 1315 CG LEU A 87 -10.693 -10.855 15.180 1.00 63.42 C ATOM 1316 CD1 LEU A 87 -9.285 -10.424 15.594 1.00 4.40 C ATOM 1317 CD2 LEU A 87 -11.757 -9.858 15.641 1.00 10.31 C ATOM 0 H LEU A 87 -11.143 -12.302 11.473 1.00 45.21 H new ATOM 0 HA LEU A 87 -8.829 -11.725 13.176 1.00 14.13 H new ATOM 0 HB2 LEU A 87 -10.569 -10.139 13.167 1.00 21.42 H new ATOM 0 HB3 LEU A 87 -11.797 -11.363 13.418 1.00 21.42 H new ATOM 0 HG LEU A 87 -10.900 -11.801 15.681 1.00 63.42 H new ATOM 0 HD11 LEU A 87 -9.255 -10.268 16.672 1.00 4.40 H new ATOM 0 HD12 LEU A 87 -8.571 -11.201 15.320 1.00 4.40 H new ATOM 0 HD13 LEU A 87 -9.024 -9.496 15.086 1.00 4.40 H new ATOM 0 HD21 LEU A 87 -11.678 -9.713 16.718 1.00 10.31 H new ATOM 0 HD22 LEU A 87 -11.606 -8.905 15.135 1.00 10.31 H new ATOM 0 HD23 LEU A 87 -12.747 -10.245 15.399 1.00 10.31 H new ATOM 1329 N LYS A 88 -10.959 -14.144 13.842 1.00 61.13 N ATOM 1330 CA LYS A 88 -11.099 -15.406 14.548 1.00 33.10 C ATOM 1331 C LYS A 88 -10.207 -16.458 13.886 1.00 20.12 C ATOM 1332 O LYS A 88 -9.796 -17.422 14.530 1.00 61.32 O ATOM 1333 CB LYS A 88 -12.572 -15.813 14.631 1.00 40.13 C ATOM 1334 CG LYS A 88 -13.151 -15.499 16.012 1.00 24.50 C ATOM 1335 CD LYS A 88 -13.389 -16.783 16.811 1.00 40.45 C ATOM 1336 CE LYS A 88 -14.673 -17.481 16.356 1.00 4.54 C ATOM 1337 NZ LYS A 88 -15.862 -16.739 16.832 1.00 42.21 N ATOM 0 H LYS A 88 -11.786 -13.852 13.322 1.00 61.13 H new ATOM 0 HA LYS A 88 -10.761 -15.305 15.579 1.00 33.10 H new ATOM 0 HB2 LYS A 88 -13.142 -15.287 13.866 1.00 40.13 H new ATOM 0 HB3 LYS A 88 -12.671 -16.879 14.425 1.00 40.13 H new ATOM 0 HG2 LYS A 88 -12.468 -14.848 16.558 1.00 24.50 H new ATOM 0 HG3 LYS A 88 -14.089 -14.955 15.902 1.00 24.50 H new ATOM 0 HD2 LYS A 88 -12.541 -17.456 16.686 1.00 40.45 H new ATOM 0 HD3 LYS A 88 -13.455 -16.548 17.873 1.00 40.45 H new ATOM 0 HE2 LYS A 88 -14.691 -17.550 15.268 1.00 4.54 H new ATOM 0 HE3 LYS A 88 -14.695 -18.501 16.740 1.00 4.54 H new ATOM 0 HZ1 LYS A 88 -16.700 -17.352 16.774 1.00 42.21 H new ATOM 0 HZ2 LYS A 88 -15.715 -16.445 17.819 1.00 42.21 H new ATOM 0 HZ3 LYS A 88 -16.007 -15.898 16.238 1.00 42.21 H new ATOM 1350 N ALA A 89 -9.934 -16.237 12.609 1.00 43.12 N ATOM 1351 CA ALA A 89 -9.098 -17.154 11.853 1.00 44.23 C ATOM 1352 C ALA A 89 -7.694 -17.178 12.462 1.00 53.33 C ATOM 1353 O ALA A 89 -7.140 -18.247 12.710 1.00 65.12 O ATOM 1354 CB ALA A 89 -9.087 -16.739 10.380 1.00 71.00 C ATOM 0 H ALA A 89 -10.277 -15.436 12.078 1.00 43.12 H new ATOM 0 HA ALA A 89 -9.497 -18.167 11.904 1.00 44.23 H new ATOM 0 HB1 ALA A 89 -8.460 -17.427 9.813 1.00 71.00 H new ATOM 0 HB2 ALA A 89 -10.103 -16.766 9.987 1.00 71.00 H new ATOM 0 HB3 ALA A 89 -8.690 -15.728 10.290 1.00 71.00 H new ATOM 1360 N GLY A 90 -7.160 -15.986 12.685 1.00 54.21 N ATOM 1361 CA GLY A 90 -5.832 -15.857 13.260 1.00 13.52 C ATOM 1362 C GLY A 90 -5.901 -15.781 14.787 1.00 60.32 C ATOM 1363 O GLY A 90 -5.336 -16.626 15.480 1.00 43.04 O ATOM 0 H GLY A 90 -7.623 -15.101 12.478 1.00 54.21 H new ATOM 0 HA2 GLY A 90 -5.219 -16.707 12.962 1.00 13.52 H new ATOM 0 HA3 GLY A 90 -5.348 -14.962 12.869 1.00 13.52 H new ATOM 1367 N ASP A 91 -6.598 -14.762 15.266 1.00 14.04 N ATOM 1368 CA ASP A 91 -6.748 -14.565 16.698 1.00 33.43 C ATOM 1369 C ASP A 91 -7.469 -15.773 17.302 1.00 51.43 C ATOM 1370 O ASP A 91 -8.596 -16.083 16.918 1.00 63.14 O ATOM 1371 CB ASP A 91 -7.582 -13.318 16.999 1.00 61.33 C ATOM 1372 CG ASP A 91 -7.229 -12.604 18.305 1.00 41.43 C ATOM 1373 OD1 ASP A 91 -6.054 -12.525 18.692 1.00 44.30 O ATOM 1374 OD2 ASP A 91 -8.234 -12.108 18.944 1.00 42.44 O ATOM 0 H ASP A 91 -7.065 -14.063 14.688 1.00 14.04 H new ATOM 0 HA ASP A 91 -5.753 -14.446 17.127 1.00 33.43 H new ATOM 0 HB2 ASP A 91 -7.466 -12.614 16.175 1.00 61.33 H new ATOM 0 HB3 ASP A 91 -8.634 -13.602 17.030 1.00 61.33 H new ATOM 1380 N SER A 92 -6.790 -16.421 18.237 1.00 42.45 N ATOM 1381 CA SER A 92 -7.351 -17.587 18.897 1.00 53.12 C ATOM 1382 C SER A 92 -7.905 -17.196 20.269 1.00 43.24 C ATOM 1383 O SER A 92 -8.652 -17.900 20.919 1.00 63.13 O ATOM 1384 CB SER A 92 -6.306 -18.694 19.042 1.00 24.12 C ATOM 1385 OG SER A 92 -6.885 -19.923 19.472 1.00 15.11 O ATOM 0 H SER A 92 -5.856 -16.160 18.553 1.00 42.45 H new ATOM 0 HA SER A 92 -8.164 -17.971 18.280 1.00 53.12 H new ATOM 0 HB2 SER A 92 -5.803 -18.845 18.087 1.00 24.12 H new ATOM 0 HB3 SER A 92 -5.545 -18.382 19.757 1.00 24.12 H new ATOM 0 HG SER A 92 -6.185 -20.604 19.551 1.00 15.11 H new ATOM 1391 N ASP A 93 -7.515 -16.031 20.708 1.00 35.02 N ATOM 1392 CA ASP A 93 -7.990 -15.533 22.030 1.00 52.11 C ATOM 1393 C ASP A 93 -9.161 -14.564 21.835 1.00 43.45 C ATOM 1394 O ASP A 93 -9.829 -14.261 22.822 1.00 24.11 O ATOM 1395 CB ASP A 93 -6.788 -14.808 22.635 1.00 44.53 C ATOM 1396 CG ASP A 93 -6.589 -13.467 21.925 1.00 65.40 C ATOM 1397 OD1 ASP A 93 -6.027 -12.573 22.536 1.00 0.32 O ATOM 1398 OD2 ASP A 93 -7.002 -13.356 20.782 1.00 2.13 O ATOM 0 H ASP A 93 -6.887 -15.402 20.208 1.00 35.02 H new ATOM 0 HA ASP A 93 -8.345 -16.338 22.674 1.00 52.11 H new ATOM 0 HB2 ASP A 93 -6.946 -14.647 23.701 1.00 44.53 H new ATOM 0 HB3 ASP A 93 -5.892 -15.421 22.535 1.00 44.53 H new ATOM 1403 N GLY A 94 -9.380 -14.105 20.611 1.00 73.30 N ATOM 1404 CA GLY A 94 -10.467 -13.179 20.343 1.00 41.43 C ATOM 1405 C GLY A 94 -10.441 -12.004 21.323 1.00 22.44 C ATOM 1406 O GLY A 94 -11.330 -11.873 22.163 1.00 4.44 O ATOM 0 H GLY A 94 -8.823 -14.357 19.794 1.00 73.30 H new ATOM 0 HA2 GLY A 94 -10.389 -12.807 19.321 1.00 41.43 H new ATOM 0 HA3 GLY A 94 -11.421 -13.700 20.420 1.00 41.43 H new ATOM 1410 N ASP A 95 -9.412 -11.181 21.184 1.00 71.11 N ATOM 1411 CA ASP A 95 -9.258 -10.022 22.047 1.00 35.40 C ATOM 1412 C ASP A 95 -9.501 -8.750 21.233 1.00 13.21 C ATOM 1413 O ASP A 95 -9.840 -7.707 21.791 1.00 62.01 O ATOM 1414 CB ASP A 95 -7.844 -9.951 22.626 1.00 12.51 C ATOM 1415 CG ASP A 95 -6.719 -9.981 21.590 1.00 61.41 C ATOM 1416 OD1 ASP A 95 -6.742 -10.785 20.646 1.00 23.20 O ATOM 1417 OD2 ASP A 95 -5.776 -9.122 21.783 1.00 31.32 O ATOM 0 H ASP A 95 -8.676 -11.294 20.486 1.00 71.11 H new ATOM 0 HA ASP A 95 -9.977 -10.110 22.862 1.00 35.40 H new ATOM 0 HB2 ASP A 95 -7.753 -9.037 23.212 1.00 12.51 H new ATOM 0 HB3 ASP A 95 -7.707 -10.786 23.314 1.00 12.51 H new ATOM 1423 N GLY A 96 -9.319 -8.877 19.927 1.00 20.20 N ATOM 1424 CA GLY A 96 -9.514 -7.750 19.031 1.00 70.33 C ATOM 1425 C GLY A 96 -8.210 -7.383 18.319 1.00 30.34 C ATOM 1426 O GLY A 96 -8.185 -6.475 17.490 1.00 34.21 O ATOM 0 H GLY A 96 -9.038 -9.743 19.468 1.00 20.20 H new ATOM 0 HA2 GLY A 96 -10.278 -7.995 18.294 1.00 70.33 H new ATOM 0 HA3 GLY A 96 -9.879 -6.891 19.595 1.00 70.33 H new ATOM 1430 N LYS A 97 -7.158 -8.108 18.670 1.00 61.32 N ATOM 1431 CA LYS A 97 -5.854 -7.870 18.075 1.00 24.42 C ATOM 1432 C LYS A 97 -5.256 -9.202 17.618 1.00 61.45 C ATOM 1433 O LYS A 97 -5.483 -10.237 18.244 1.00 42.52 O ATOM 1434 CB LYS A 97 -4.957 -7.094 19.042 1.00 34.34 C ATOM 1435 CG LYS A 97 -5.732 -5.961 19.718 1.00 50.21 C ATOM 1436 CD LYS A 97 -4.791 -5.045 20.503 1.00 64.11 C ATOM 1437 CE LYS A 97 -4.157 -5.790 21.680 1.00 41.53 C ATOM 1438 NZ LYS A 97 -3.091 -4.970 22.298 1.00 42.12 N ATOM 0 H LYS A 97 -7.182 -8.860 19.359 1.00 61.32 H new ATOM 0 HA LYS A 97 -5.949 -7.241 17.190 1.00 24.42 H new ATOM 0 HB2 LYS A 97 -4.561 -7.771 19.799 1.00 34.34 H new ATOM 0 HB3 LYS A 97 -4.103 -6.684 18.503 1.00 34.34 H new ATOM 0 HG2 LYS A 97 -6.266 -5.381 18.965 1.00 50.21 H new ATOM 0 HG3 LYS A 97 -6.482 -6.379 20.389 1.00 50.21 H new ATOM 0 HD2 LYS A 97 -4.010 -4.668 19.843 1.00 64.11 H new ATOM 0 HD3 LYS A 97 -5.343 -4.180 20.870 1.00 64.11 H new ATOM 0 HE2 LYS A 97 -4.920 -6.025 22.422 1.00 41.53 H new ATOM 0 HE3 LYS A 97 -3.742 -6.738 21.337 1.00 41.53 H new ATOM 0 HZ1 LYS A 97 -2.671 -5.490 23.095 1.00 42.12 H new ATOM 0 HZ2 LYS A 97 -2.356 -4.767 21.591 1.00 42.12 H new ATOM 0 HZ3 LYS A 97 -3.496 -4.076 22.643 1.00 42.12 H new ATOM 1451 N ILE A 98 -4.504 -9.134 16.529 1.00 62.10 N ATOM 1452 CA ILE A 98 -3.872 -10.322 15.980 1.00 2.11 C ATOM 1453 C ILE A 98 -2.353 -10.139 15.994 1.00 1.23 C ATOM 1454 O ILE A 98 -1.810 -9.362 15.210 1.00 14.21 O ATOM 1455 CB ILE A 98 -4.440 -10.640 14.596 1.00 51.14 C ATOM 1456 CG1 ILE A 98 -5.729 -11.457 14.706 1.00 0.05 C ATOM 1457 CG2 ILE A 98 -3.395 -11.334 13.720 1.00 22.22 C ATOM 1458 CD1 ILE A 98 -6.045 -12.165 13.387 1.00 2.51 C ATOM 0 H ILE A 98 -4.318 -8.275 16.012 1.00 62.10 H new ATOM 0 HA ILE A 98 -4.095 -11.192 16.598 1.00 2.11 H new ATOM 0 HB ILE A 98 -4.696 -9.699 14.108 1.00 51.14 H new ATOM 0 HG12 ILE A 98 -5.630 -12.194 15.503 1.00 0.05 H new ATOM 0 HG13 ILE A 98 -6.557 -10.802 14.978 1.00 0.05 H new ATOM 0 HG21 ILE A 98 -3.825 -11.549 12.742 1.00 22.22 H new ATOM 0 HG22 ILE A 98 -2.529 -10.682 13.601 1.00 22.22 H new ATOM 0 HG23 ILE A 98 -3.085 -12.266 14.193 1.00 22.22 H new ATOM 0 HD11 ILE A 98 -6.966 -12.738 13.493 1.00 2.51 H new ATOM 0 HD12 ILE A 98 -6.168 -11.424 12.597 1.00 2.51 H new ATOM 0 HD13 ILE A 98 -5.227 -12.838 13.130 1.00 2.51 H new ATOM 1470 N GLY A 99 -1.709 -10.868 16.894 1.00 15.44 N ATOM 1471 CA GLY A 99 -0.264 -10.795 17.021 1.00 63.40 C ATOM 1472 C GLY A 99 0.425 -11.567 15.893 1.00 34.13 C ATOM 1473 O GLY A 99 -0.202 -11.891 14.886 1.00 61.43 O ATOM 0 H GLY A 99 -2.162 -11.512 17.542 1.00 15.44 H new ATOM 0 HA2 GLY A 99 0.054 -9.753 17.001 1.00 63.40 H new ATOM 0 HA3 GLY A 99 0.041 -11.203 17.985 1.00 63.40 H new ATOM 1477 N ILE A 100 1.705 -11.839 16.101 1.00 53.32 N ATOM 1478 CA ILE A 100 2.485 -12.566 15.114 1.00 31.22 C ATOM 1479 C ILE A 100 2.268 -14.069 15.306 1.00 41.43 C ATOM 1480 O ILE A 100 2.209 -14.820 14.334 1.00 54.35 O ATOM 1481 CB ILE A 100 3.954 -12.144 15.176 1.00 62.11 C ATOM 1482 CG1 ILE A 100 4.552 -12.033 13.772 1.00 41.41 C ATOM 1483 CG2 ILE A 100 4.760 -13.091 16.068 1.00 14.23 C ATOM 1484 CD1 ILE A 100 4.294 -13.306 12.964 1.00 44.25 C ATOM 0 H ILE A 100 2.221 -11.569 16.938 1.00 53.32 H new ATOM 0 HA ILE A 100 2.149 -12.321 14.106 1.00 31.22 H new ATOM 0 HB ILE A 100 4.006 -11.154 15.628 1.00 62.11 H new ATOM 0 HG12 ILE A 100 4.120 -11.176 13.255 1.00 41.41 H new ATOM 0 HG13 ILE A 100 5.625 -11.854 13.843 1.00 41.41 H new ATOM 0 HG21 ILE A 100 5.801 -12.768 16.095 1.00 14.23 H new ATOM 0 HG22 ILE A 100 4.350 -13.077 17.078 1.00 14.23 H new ATOM 0 HG23 ILE A 100 4.704 -14.103 15.668 1.00 14.23 H new ATOM 0 HD11 ILE A 100 4.729 -13.201 11.970 1.00 44.25 H new ATOM 0 HD12 ILE A 100 4.749 -14.157 13.471 1.00 44.25 H new ATOM 0 HD13 ILE A 100 3.220 -13.469 12.874 1.00 44.25 H new ATOM 1496 N ASP A 101 2.156 -14.462 16.566 1.00 52.11 N ATOM 1497 CA ASP A 101 1.947 -15.861 16.897 1.00 32.24 C ATOM 1498 C ASP A 101 0.541 -16.279 16.462 1.00 31.41 C ATOM 1499 O ASP A 101 0.244 -17.470 16.369 1.00 45.41 O ATOM 1500 CB ASP A 101 2.064 -16.093 18.405 1.00 35.41 C ATOM 1501 CG ASP A 101 3.005 -15.134 19.136 1.00 13.12 C ATOM 1502 OD1 ASP A 101 2.766 -13.918 19.184 1.00 20.03 O ATOM 1503 OD2 ASP A 101 4.035 -15.689 19.679 1.00 13.14 O ATOM 0 H ASP A 101 2.206 -13.836 17.370 1.00 52.11 H new ATOM 0 HA ASP A 101 2.708 -16.447 16.382 1.00 32.24 H new ATOM 0 HB2 ASP A 101 1.071 -16.012 18.848 1.00 35.41 H new ATOM 0 HB3 ASP A 101 2.406 -17.114 18.575 1.00 35.41 H new ATOM 1509 N GLU A 102 -0.288 -15.277 16.207 1.00 24.51 N ATOM 1510 CA GLU A 102 -1.655 -15.526 15.784 1.00 72.41 C ATOM 1511 C GLU A 102 -1.792 -15.309 14.276 1.00 61.14 C ATOM 1512 O GLU A 102 -2.526 -16.033 13.605 1.00 51.24 O ATOM 1513 CB GLU A 102 -2.637 -14.644 16.556 1.00 14.42 C ATOM 1514 CG GLU A 102 -2.989 -15.267 17.909 1.00 63.35 C ATOM 1515 CD GLU A 102 -3.221 -14.187 18.967 1.00 50.13 C ATOM 1516 OE1 GLU A 102 -2.267 -13.417 19.210 1.00 11.33 O ATOM 1517 OE2 GLU A 102 -4.347 -14.156 19.508 1.00 13.41 O ATOM 0 H GLU A 102 -0.039 -14.291 16.285 1.00 24.51 H new ATOM 0 HA GLU A 102 -1.899 -16.565 16.005 1.00 72.41 H new ATOM 0 HB2 GLU A 102 -2.201 -13.657 16.709 1.00 14.42 H new ATOM 0 HB3 GLU A 102 -3.545 -14.505 15.969 1.00 14.42 H new ATOM 0 HG2 GLU A 102 -3.884 -15.881 17.809 1.00 63.35 H new ATOM 0 HG3 GLU A 102 -2.184 -15.928 18.229 1.00 63.35 H new ATOM 1524 N PHE A 103 -1.073 -14.309 13.786 1.00 33.25 N ATOM 1525 CA PHE A 103 -1.105 -13.988 12.370 1.00 52.42 C ATOM 1526 C PHE A 103 -0.243 -14.963 11.566 1.00 30.44 C ATOM 1527 O PHE A 103 -0.475 -15.167 10.376 1.00 50.13 O ATOM 1528 CB PHE A 103 -0.533 -12.577 12.219 1.00 52.34 C ATOM 1529 CG PHE A 103 -0.212 -12.187 10.774 1.00 23.13 C ATOM 1530 CD1 PHE A 103 -1.214 -11.831 9.927 1.00 72.33 C ATOM 1531 CD2 PHE A 103 1.076 -12.197 10.338 1.00 3.30 C ATOM 1532 CE1 PHE A 103 -0.916 -11.470 8.586 1.00 2.24 C ATOM 1533 CE2 PHE A 103 1.375 -11.835 8.998 1.00 73.24 C ATOM 1534 CZ PHE A 103 0.372 -11.479 8.150 1.00 23.40 C ATOM 0 H PHE A 103 -0.465 -13.711 14.345 1.00 33.25 H new ATOM 0 HA PHE A 103 -2.127 -14.056 11.996 1.00 52.42 H new ATOM 0 HB2 PHE A 103 -1.246 -11.861 12.628 1.00 52.34 H new ATOM 0 HB3 PHE A 103 0.375 -12.498 12.816 1.00 52.34 H new ATOM 0 HD1 PHE A 103 -2.237 -11.823 10.274 1.00 72.33 H new ATOM 0 HD2 PHE A 103 1.872 -12.480 11.011 1.00 3.30 H new ATOM 0 HE1 PHE A 103 -1.712 -11.188 7.913 1.00 2.24 H new ATOM 0 HE2 PHE A 103 2.398 -11.842 8.652 1.00 73.24 H new ATOM 0 HZ PHE A 103 0.599 -11.204 7.131 1.00 23.40 H new ATOM 1544 N ALA A 104 0.734 -15.541 12.250 1.00 32.10 N ATOM 1545 CA ALA A 104 1.632 -16.491 11.615 1.00 52.31 C ATOM 1546 C ALA A 104 1.043 -17.898 11.729 1.00 35.00 C ATOM 1547 O ALA A 104 1.500 -18.823 11.059 1.00 1.41 O ATOM 1548 CB ALA A 104 3.019 -16.386 12.252 1.00 61.05 C ATOM 0 H ALA A 104 0.923 -15.370 13.238 1.00 32.10 H new ATOM 0 HA ALA A 104 1.742 -16.265 10.554 1.00 52.31 H new ATOM 0 HB1 ALA A 104 3.693 -17.098 11.776 1.00 61.05 H new ATOM 0 HB2 ALA A 104 3.405 -15.376 12.118 1.00 61.05 H new ATOM 0 HB3 ALA A 104 2.948 -16.609 13.317 1.00 61.05 H new ATOM 1554 N ALA A 105 0.036 -18.016 12.583 1.00 61.15 N ATOM 1555 CA ALA A 105 -0.621 -19.295 12.793 1.00 25.10 C ATOM 1556 C ALA A 105 -1.574 -19.572 11.629 1.00 42.13 C ATOM 1557 O ALA A 105 -1.536 -20.648 11.033 1.00 15.35 O ATOM 1558 CB ALA A 105 -1.338 -19.284 14.144 1.00 32.42 C ATOM 0 H ALA A 105 -0.341 -17.247 13.137 1.00 61.15 H new ATOM 0 HA ALA A 105 0.111 -20.103 12.818 1.00 25.10 H new ATOM 0 HB1 ALA A 105 -1.831 -20.243 14.302 1.00 32.42 H new ATOM 0 HB2 ALA A 105 -0.613 -19.113 14.940 1.00 32.42 H new ATOM 0 HB3 ALA A 105 -2.082 -18.488 14.155 1.00 32.42 H new ATOM 1564 N MET A 106 -2.406 -18.582 11.339 1.00 65.23 N ATOM 1565 CA MET A 106 -3.367 -18.706 10.256 1.00 0.42 C ATOM 1566 C MET A 106 -2.671 -19.068 8.943 1.00 45.21 C ATOM 1567 O MET A 106 -3.320 -19.490 7.988 1.00 71.34 O ATOM 1568 CB MET A 106 -4.119 -17.384 10.088 1.00 42.21 C ATOM 1569 CG MET A 106 -3.147 -16.228 9.841 1.00 72.05 C ATOM 1570 SD MET A 106 -3.976 -14.668 10.097 1.00 71.12 S ATOM 1571 CE MET A 106 -5.613 -15.089 9.524 1.00 72.25 C ATOM 0 H MET A 106 -2.434 -17.691 11.835 1.00 65.23 H new ATOM 0 HA MET A 106 -4.067 -19.504 10.506 1.00 0.42 H new ATOM 0 HB2 MET A 106 -4.817 -17.462 9.254 1.00 42.21 H new ATOM 0 HB3 MET A 106 -4.711 -17.182 10.981 1.00 42.21 H new ATOM 0 HG2 MET A 106 -2.293 -16.310 10.513 1.00 72.05 H new ATOM 0 HG3 MET A 106 -2.758 -16.280 8.824 1.00 72.05 H new ATOM 0 HE1 MET A 106 -6.256 -14.211 9.582 1.00 72.25 H new ATOM 0 HE2 MET A 106 -5.560 -15.433 8.491 1.00 72.25 H new ATOM 0 HE3 MET A 106 -6.025 -15.881 10.149 1.00 72.25 H new ATOM 1581 N ILE A 107 -1.358 -18.889 8.937 1.00 23.14 N ATOM 1582 CA ILE A 107 -0.566 -19.192 7.757 1.00 11.22 C ATOM 1583 C ILE A 107 0.276 -20.442 8.020 1.00 72.01 C ATOM 1584 O ILE A 107 0.535 -21.224 7.106 1.00 11.42 O ATOM 1585 CB ILE A 107 0.258 -17.973 7.337 1.00 14.34 C ATOM 1586 CG1 ILE A 107 0.593 -17.095 8.545 1.00 35.01 C ATOM 1587 CG2 ILE A 107 -0.453 -17.184 6.235 1.00 24.31 C ATOM 1588 CD1 ILE A 107 1.320 -15.821 8.112 1.00 44.12 C ATOM 0 H ILE A 107 -0.823 -18.538 9.731 1.00 23.14 H new ATOM 0 HA ILE A 107 -1.215 -19.416 6.910 1.00 11.22 H new ATOM 0 HB ILE A 107 1.203 -18.325 6.923 1.00 14.34 H new ATOM 0 HG12 ILE A 107 -0.323 -16.833 9.074 1.00 35.01 H new ATOM 0 HG13 ILE A 107 1.216 -17.654 9.244 1.00 35.01 H new ATOM 0 HG21 ILE A 107 0.154 -16.323 5.955 1.00 24.31 H new ATOM 0 HG22 ILE A 107 -0.598 -17.824 5.365 1.00 24.31 H new ATOM 0 HG23 ILE A 107 -1.422 -16.842 6.599 1.00 24.31 H new ATOM 0 HD11 ILE A 107 1.546 -15.215 8.989 1.00 44.12 H new ATOM 0 HD12 ILE A 107 2.248 -16.086 7.605 1.00 44.12 H new ATOM 0 HD13 ILE A 107 0.685 -15.253 7.433 1.00 44.12 H new ATOM 1600 N LYS A 108 0.680 -20.592 9.273 1.00 54.01 N ATOM 1601 CA LYS A 108 1.487 -21.734 9.667 1.00 11.15 C ATOM 1602 C LYS A 108 0.774 -23.024 9.256 1.00 12.43 C ATOM 1603 O LYS A 108 1.407 -23.960 8.773 1.00 63.34 O ATOM 1604 CB LYS A 108 1.821 -21.664 11.159 1.00 74.30 C ATOM 1605 CG LYS A 108 2.570 -22.919 11.612 1.00 5.31 C ATOM 1606 CD LYS A 108 3.472 -22.616 12.811 1.00 52.32 C ATOM 1607 CE LYS A 108 4.315 -23.836 13.185 1.00 61.20 C ATOM 1608 NZ LYS A 108 3.460 -24.904 13.750 1.00 53.32 N ATOM 0 H LYS A 108 0.463 -19.942 10.028 1.00 54.01 H new ATOM 0 HA LYS A 108 2.445 -21.721 9.148 1.00 11.15 H new ATOM 0 HB2 LYS A 108 2.429 -20.781 11.358 1.00 74.30 H new ATOM 0 HB3 LYS A 108 0.903 -21.556 11.736 1.00 74.30 H new ATOM 0 HG2 LYS A 108 1.855 -23.698 11.878 1.00 5.31 H new ATOM 0 HG3 LYS A 108 3.171 -23.305 10.789 1.00 5.31 H new ATOM 0 HD2 LYS A 108 4.126 -21.776 12.576 1.00 52.32 H new ATOM 0 HD3 LYS A 108 2.862 -22.316 13.663 1.00 52.32 H new ATOM 0 HE2 LYS A 108 4.837 -24.208 12.304 1.00 61.20 H new ATOM 0 HE3 LYS A 108 5.077 -23.550 13.910 1.00 61.20 H new ATOM 0 HZ1 LYS A 108 4.059 -25.676 14.107 1.00 53.32 H new ATOM 0 HZ2 LYS A 108 2.892 -24.517 14.530 1.00 53.32 H new ATOM 0 HZ3 LYS A 108 2.828 -25.271 13.010 1.00 53.32 H new ATOM 1621 N GLY A 109 -0.535 -23.030 9.464 1.00 62.41 N ATOM 1622 CA GLY A 109 -1.341 -24.190 9.121 1.00 41.31 C ATOM 1623 C GLY A 109 -2.831 -23.841 9.119 1.00 4.34 C ATOM 1624 O GLY A 109 -3.624 -24.486 9.803 1.00 64.11 O ATOM 0 H GLY A 109 -1.057 -22.251 9.865 1.00 62.41 H new ATOM 0 HA2 GLY A 109 -1.050 -24.562 8.139 1.00 41.31 H new ATOM 0 HA3 GLY A 109 -1.153 -24.992 9.835 1.00 41.31 H new