USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 634 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 Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -4.62! C(o=-4.6!,f=-11!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.496) USER MOD Single : A 24 SER OG : rot 174:sc= -1.87 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 TYR OH : rot -149:sc= 0.52 USER MOD Single : B 11 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.36) USER MOD Single : B 13 TYR OH : rot 180:sc=-0.00831 USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : C 1 GLY N :NH3+ -172:sc= -0.0239 (180deg=-0.107) USER MOD Single : C 2 TYR OH : rot 180:sc= 0 USER MOD Single : C 11 GLN : amide:sc= -0.773 X(o=-0.77,f=-0.73) USER MOD Single : C 13 TYR OH : rot 165:sc= -0.154 USER MOD Single : C 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 24 SER OG : rot 180:sc= 0.146 USER MOD Single : C 25 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N TYR A 2 126.563 -4.678 -11.677 1.00 0.00 N ATOM 11 CA TYR A 2 126.200 -3.943 -10.465 1.00 0.00 C ATOM 12 C TYR A 2 125.961 -4.880 -9.272 1.00 0.00 C ATOM 13 O TYR A 2 125.815 -6.090 -9.441 1.00 0.00 O ATOM 14 CB TYR A 2 124.951 -3.098 -10.706 1.00 0.00 C ATOM 15 CG TYR A 2 125.090 -2.002 -11.748 1.00 0.00 C ATOM 16 CD1 TYR A 2 126.275 -1.793 -12.447 1.00 0.00 C ATOM 17 CD2 TYR A 2 124.020 -1.164 -12.021 1.00 0.00 C ATOM 18 CE1 TYR A 2 126.383 -0.781 -13.384 1.00 0.00 C ATOM 19 CE2 TYR A 2 124.119 -0.150 -12.954 1.00 0.00 C ATOM 20 CZ TYR A 2 125.303 0.038 -13.632 1.00 0.00 C ATOM 21 OH TYR A 2 125.407 1.047 -14.561 1.00 0.00 O ATOM 0 HA TYR A 2 127.042 -3.294 -10.222 1.00 0.00 H new ATOM 0 HB2 TYR A 2 124.139 -3.760 -11.007 1.00 0.00 H new ATOM 0 HB3 TYR A 2 124.656 -2.641 -9.761 1.00 0.00 H new ATOM 0 HD1 TYR A 2 127.125 -2.432 -12.255 1.00 0.00 H new ATOM 0 HD2 TYR A 2 123.089 -1.307 -11.493 1.00 0.00 H new ATOM 0 HE1 TYR A 2 127.310 -0.634 -13.919 1.00 0.00 H new ATOM 0 HE2 TYR A 2 123.273 0.492 -13.151 1.00 0.00 H new ATOM 0 HH TYR A 2 124.556 1.530 -14.616 1.00 0.00 H new ATOM 31 N ILE A 3 125.890 -4.300 -8.068 1.00 0.00 N ATOM 32 CA ILE A 3 125.628 -5.066 -6.844 1.00 0.00 C ATOM 33 C ILE A 3 124.187 -4.934 -6.419 1.00 0.00 C ATOM 34 O ILE A 3 123.508 -3.973 -6.782 1.00 0.00 O ATOM 35 CB ILE A 3 126.429 -4.609 -5.622 1.00 0.00 C ATOM 36 CG1 ILE A 3 126.304 -3.100 -5.416 1.00 0.00 C ATOM 37 CG2 ILE A 3 127.880 -5.038 -5.691 1.00 0.00 C ATOM 38 CD1 ILE A 3 127.236 -2.557 -4.357 1.00 0.00 C ATOM 0 H ILE A 3 126.011 -3.299 -7.915 1.00 0.00 H new ATOM 0 HA ILE A 3 125.912 -6.082 -7.119 1.00 0.00 H new ATOM 0 HB ILE A 3 125.997 -5.106 -4.754 1.00 0.00 H new ATOM 0 HG12 ILE A 3 126.506 -2.594 -6.360 1.00 0.00 H new ATOM 0 HG13 ILE A 3 125.276 -2.863 -5.141 1.00 0.00 H new ATOM 0 HG21 ILE A 3 128.405 -4.690 -4.802 1.00 0.00 H new ATOM 0 HG22 ILE A 3 127.936 -6.125 -5.743 1.00 0.00 H new ATOM 0 HG23 ILE A 3 128.345 -4.608 -6.578 1.00 0.00 H new ATOM 0 HD11 ILE A 3 127.093 -1.480 -4.264 1.00 0.00 H new ATOM 0 HD12 ILE A 3 127.020 -3.036 -3.402 1.00 0.00 H new ATOM 0 HD13 ILE A 3 128.268 -2.763 -4.640 1.00 0.00 H new ATOM 50 N PRO A 4 123.699 -5.877 -5.609 1.00 0.00 N ATOM 51 CA PRO A 4 122.354 -5.822 -5.116 1.00 0.00 C ATOM 52 C PRO A 4 122.245 -4.990 -3.835 1.00 0.00 C ATOM 53 O PRO A 4 123.209 -4.828 -3.089 1.00 0.00 O ATOM 54 CB PRO A 4 121.992 -7.289 -4.894 1.00 0.00 C ATOM 55 CG PRO A 4 123.304 -8.006 -4.714 1.00 0.00 C ATOM 56 CD PRO A 4 124.415 -7.045 -5.086 1.00 0.00 C ATOM 0 HA PRO A 4 121.671 -5.328 -5.807 1.00 0.00 H new ATOM 0 HB2 PRO A 4 121.357 -7.408 -4.016 1.00 0.00 H new ATOM 0 HB3 PRO A 4 121.440 -7.690 -5.744 1.00 0.00 H new ATOM 0 HG2 PRO A 4 123.418 -8.340 -3.683 1.00 0.00 H new ATOM 0 HG3 PRO A 4 123.342 -8.895 -5.343 1.00 0.00 H new ATOM 0 HD2 PRO A 4 125.027 -6.786 -4.222 1.00 0.00 H new ATOM 0 HD3 PRO A 4 125.083 -7.474 -5.833 1.00 0.00 H new ATOM 64 N GLU A 5 121.054 -4.430 -3.639 1.00 0.00 N ATOM 65 CA GLU A 5 120.742 -3.555 -2.509 1.00 0.00 C ATOM 66 C GLU A 5 120.991 -4.226 -1.153 1.00 0.00 C ATOM 67 O GLU A 5 120.750 -5.419 -0.975 1.00 0.00 O ATOM 68 CB GLU A 5 119.279 -3.104 -2.613 1.00 0.00 C ATOM 69 CG GLU A 5 118.706 -2.512 -1.334 1.00 0.00 C ATOM 70 CD GLU A 5 118.561 -1.005 -1.389 1.00 0.00 C ATOM 71 OE1 GLU A 5 117.645 -0.520 -2.087 1.00 0.00 O ATOM 72 OE2 GLU A 5 119.367 -0.311 -0.733 1.00 0.00 O ATOM 0 H GLU A 5 120.265 -4.573 -4.270 1.00 0.00 H new ATOM 0 HA GLU A 5 121.411 -2.696 -2.560 1.00 0.00 H new ATOM 0 HB2 GLU A 5 119.196 -2.364 -3.409 1.00 0.00 H new ATOM 0 HB3 GLU A 5 118.669 -3.958 -2.907 1.00 0.00 H new ATOM 0 HG2 GLU A 5 117.731 -2.958 -1.140 1.00 0.00 H new ATOM 0 HG3 GLU A 5 119.351 -2.779 -0.497 1.00 0.00 H new ATOM 79 N ALA A 6 121.474 -3.423 -0.199 1.00 0.00 N ATOM 80 CA ALA A 6 121.761 -3.894 1.157 1.00 0.00 C ATOM 81 C ALA A 6 120.521 -3.848 2.052 1.00 0.00 C ATOM 82 O ALA A 6 119.518 -3.221 1.713 1.00 0.00 O ATOM 83 CB ALA A 6 122.886 -3.070 1.777 1.00 0.00 C ATOM 0 H ALA A 6 121.676 -2.434 -0.345 1.00 0.00 H new ATOM 0 HA ALA A 6 122.075 -4.935 1.081 1.00 0.00 H new ATOM 0 HB1 ALA A 6 123.089 -3.431 2.785 1.00 0.00 H new ATOM 0 HB2 ALA A 6 123.786 -3.167 1.169 1.00 0.00 H new ATOM 0 HB3 ALA A 6 122.588 -2.022 1.820 1.00 0.00 H new ATOM 89 N PRO A 7 120.582 -4.524 3.216 1.00 0.00 N ATOM 90 CA PRO A 7 119.470 -4.567 4.174 1.00 0.00 C ATOM 91 C PRO A 7 119.067 -3.176 4.659 1.00 0.00 C ATOM 92 O PRO A 7 119.894 -2.267 4.712 1.00 0.00 O ATOM 93 CB PRO A 7 120.021 -5.384 5.351 1.00 0.00 C ATOM 94 CG PRO A 7 121.216 -6.108 4.825 1.00 0.00 C ATOM 95 CD PRO A 7 121.749 -5.293 3.681 1.00 0.00 C ATOM 0 HA PRO A 7 118.576 -4.995 3.721 1.00 0.00 H new ATOM 0 HB2 PRO A 7 120.293 -4.735 6.183 1.00 0.00 H new ATOM 0 HB3 PRO A 7 119.273 -6.084 5.724 1.00 0.00 H new ATOM 0 HG2 PRO A 7 121.971 -6.223 5.602 1.00 0.00 H new ATOM 0 HG3 PRO A 7 120.945 -7.110 4.493 1.00 0.00 H new ATOM 0 HD2 PRO A 7 122.558 -4.636 4.002 1.00 0.00 H new ATOM 0 HD3 PRO A 7 122.149 -5.928 2.891 1.00 0.00 H new ATOM 103 N ARG A 8 117.792 -3.015 5.013 1.00 0.00 N ATOM 104 CA ARG A 8 117.286 -1.732 5.493 1.00 0.00 C ATOM 105 C ARG A 8 116.925 -1.799 6.974 1.00 0.00 C ATOM 106 O ARG A 8 115.767 -1.625 7.357 1.00 0.00 O ATOM 107 CB ARG A 8 116.078 -1.293 4.687 1.00 0.00 C ATOM 108 CG ARG A 8 116.409 -0.768 3.302 1.00 0.00 C ATOM 109 CD ARG A 8 116.891 -1.883 2.399 1.00 0.00 C ATOM 110 NE ARG A 8 115.934 -2.986 2.331 1.00 0.00 N ATOM 111 CZ ARG A 8 115.058 -3.159 1.343 1.00 0.00 C ATOM 112 NH1 ARG A 8 115.003 -2.302 0.329 1.00 0.00 N ATOM 113 NH2 ARG A 8 114.229 -4.194 1.370 1.00 0.00 N ATOM 0 H ARG A 8 117.093 -3.757 4.976 1.00 0.00 H new ATOM 0 HA ARG A 8 118.082 -0.998 5.365 1.00 0.00 H new ATOM 0 HB2 ARG A 8 115.395 -2.137 4.589 1.00 0.00 H new ATOM 0 HB3 ARG A 8 115.549 -0.517 5.240 1.00 0.00 H new ATOM 0 HG2 ARG A 8 115.527 -0.299 2.867 1.00 0.00 H new ATOM 0 HG3 ARG A 8 117.176 0.003 3.375 1.00 0.00 H new ATOM 0 HD2 ARG A 8 117.062 -1.489 1.397 1.00 0.00 H new ATOM 0 HD3 ARG A 8 117.848 -2.256 2.763 1.00 0.00 H new ATOM 0 HE ARG A 8 115.937 -3.668 3.090 1.00 0.00 H new ATOM 0 HH11 ARG A 8 115.636 -1.502 0.302 1.00 0.00 H new ATOM 0 HH12 ARG A 8 114.328 -2.444 -0.423 1.00 0.00 H new ATOM 0 HH21 ARG A 8 114.263 -4.855 2.146 1.00 0.00 H new ATOM 0 HH22 ARG A 8 113.557 -4.329 0.615 1.00 0.00 H new ATOM 127 N ASP A 9 117.935 -2.032 7.796 1.00 0.00 N ATOM 128 CA ASP A 9 117.763 -2.102 9.244 1.00 0.00 C ATOM 129 C ASP A 9 118.414 -0.898 9.921 1.00 0.00 C ATOM 130 O ASP A 9 118.607 -0.890 11.137 1.00 0.00 O ATOM 131 CB ASP A 9 118.394 -3.377 9.807 1.00 0.00 C ATOM 132 CG ASP A 9 119.877 -3.471 9.506 1.00 0.00 C ATOM 133 OD1 ASP A 9 120.289 -3.040 8.409 1.00 0.00 O ATOM 134 OD2 ASP A 9 120.626 -3.977 10.368 1.00 0.00 O ATOM 0 H ASP A 9 118.895 -2.178 7.483 1.00 0.00 H new ATOM 0 HA ASP A 9 116.692 -2.105 9.446 1.00 0.00 H new ATOM 0 HB2 ASP A 9 118.243 -3.408 10.886 1.00 0.00 H new ATOM 0 HB3 ASP A 9 117.886 -4.246 9.389 1.00 0.00 H new ATOM 139 N GLY A 10 118.762 0.110 9.130 1.00 0.00 N ATOM 140 CA GLY A 10 119.397 1.293 9.675 1.00 0.00 C ATOM 141 C GLY A 10 120.877 1.092 9.920 1.00 0.00 C ATOM 142 O GLY A 10 121.528 1.951 10.515 1.00 0.00 O ATOM 0 H GLY A 10 118.615 0.128 8.121 1.00 0.00 H new ATOM 0 HA2 GLY A 10 119.255 2.127 8.988 1.00 0.00 H new ATOM 0 HA3 GLY A 10 118.910 1.565 10.612 1.00 0.00 H new ATOM 146 N GLN A 11 121.425 -0.029 9.449 1.00 0.00 N ATOM 147 CA GLN A 11 122.846 -0.281 9.628 1.00 0.00 C ATOM 148 C GLN A 11 123.591 -0.003 8.345 1.00 0.00 C ATOM 149 O GLN A 11 123.040 -0.138 7.252 1.00 0.00 O ATOM 150 CB GLN A 11 123.142 -1.713 10.088 1.00 0.00 C ATOM 151 CG GLN A 11 123.851 -1.767 11.431 1.00 0.00 C ATOM 152 CD GLN A 11 124.886 -0.665 11.574 1.00 0.00 C ATOM 153 OE1 GLN A 11 125.969 -0.720 10.992 1.00 0.00 O ATOM 154 NE2 GLN A 11 124.532 0.359 12.321 1.00 0.00 N ATOM 0 H GLN A 11 120.916 -0.760 8.952 1.00 0.00 H new ATOM 0 HA GLN A 11 123.185 0.393 10.415 1.00 0.00 H new ATOM 0 HB2 GLN A 11 122.207 -2.269 10.154 1.00 0.00 H new ATOM 0 HB3 GLN A 11 123.757 -2.211 9.338 1.00 0.00 H new ATOM 0 HG2 GLN A 11 123.117 -1.681 12.232 1.00 0.00 H new ATOM 0 HG3 GLN A 11 124.336 -2.736 11.546 1.00 0.00 H new ATOM 0 HE21 GLN A 11 123.624 0.362 12.785 1.00 0.00 H new ATOM 0 HE22 GLN A 11 125.166 1.150 12.436 1.00 0.00 H new ATOM 163 N ALA A 12 124.846 0.385 8.484 1.00 0.00 N ATOM 164 CA ALA A 12 125.677 0.693 7.346 1.00 0.00 C ATOM 165 C ALA A 12 126.436 -0.528 6.913 1.00 0.00 C ATOM 166 O ALA A 12 126.959 -1.286 7.730 1.00 0.00 O ATOM 167 CB ALA A 12 126.627 1.831 7.679 1.00 0.00 C ATOM 0 H ALA A 12 125.311 0.493 9.385 1.00 0.00 H new ATOM 0 HA ALA A 12 125.041 1.012 6.520 1.00 0.00 H new ATOM 0 HB1 ALA A 12 127.248 2.052 6.811 1.00 0.00 H new ATOM 0 HB2 ALA A 12 126.053 2.717 7.950 1.00 0.00 H new ATOM 0 HB3 ALA A 12 127.263 1.541 8.515 1.00 0.00 H new ATOM 173 N TYR A 13 126.463 -0.723 5.614 1.00 0.00 N ATOM 174 CA TYR A 13 127.122 -1.863 5.038 1.00 0.00 C ATOM 175 C TYR A 13 128.243 -1.453 4.118 1.00 0.00 C ATOM 176 O TYR A 13 128.254 -0.366 3.542 1.00 0.00 O ATOM 177 CB TYR A 13 126.124 -2.710 4.284 1.00 0.00 C ATOM 178 CG TYR A 13 125.242 -3.461 5.237 1.00 0.00 C ATOM 179 CD1 TYR A 13 125.772 -4.451 6.035 1.00 0.00 C ATOM 180 CD2 TYR A 13 123.912 -3.157 5.370 1.00 0.00 C ATOM 181 CE1 TYR A 13 124.997 -5.129 6.951 1.00 0.00 C ATOM 182 CE2 TYR A 13 123.115 -3.824 6.283 1.00 0.00 C ATOM 183 CZ TYR A 13 123.666 -4.808 7.075 1.00 0.00 C ATOM 184 OH TYR A 13 122.881 -5.480 7.984 1.00 0.00 O ATOM 0 H TYR A 13 126.030 -0.097 4.934 1.00 0.00 H new ATOM 0 HA TYR A 13 127.554 -2.443 5.853 1.00 0.00 H new ATOM 0 HB2 TYR A 13 125.515 -2.077 3.639 1.00 0.00 H new ATOM 0 HB3 TYR A 13 126.650 -3.412 3.637 1.00 0.00 H new ATOM 0 HD1 TYR A 13 126.818 -4.701 5.941 1.00 0.00 H new ATOM 0 HD2 TYR A 13 123.479 -2.384 4.752 1.00 0.00 H new ATOM 0 HE1 TYR A 13 125.431 -5.904 7.565 1.00 0.00 H new ATOM 0 HE2 TYR A 13 122.068 -3.575 6.374 1.00 0.00 H new ATOM 0 HH TYR A 13 121.966 -5.131 7.947 1.00 0.00 H new ATOM 194 N VAL A 14 129.171 -2.355 3.997 1.00 0.00 N ATOM 195 CA VAL A 14 130.337 -2.196 3.171 1.00 0.00 C ATOM 196 C VAL A 14 130.228 -3.236 2.097 1.00 0.00 C ATOM 197 O VAL A 14 129.494 -4.212 2.259 1.00 0.00 O ATOM 198 CB VAL A 14 131.577 -2.384 4.059 1.00 0.00 C ATOM 199 CG1 VAL A 14 132.821 -1.681 3.546 1.00 0.00 C ATOM 200 CG2 VAL A 14 131.187 -1.887 5.449 1.00 0.00 C ATOM 0 H VAL A 14 129.139 -3.250 4.484 1.00 0.00 H new ATOM 0 HA VAL A 14 130.419 -1.212 2.708 1.00 0.00 H new ATOM 0 HB VAL A 14 131.858 -3.437 4.065 1.00 0.00 H new ATOM 0 HG11 VAL A 14 133.650 -1.864 4.230 1.00 0.00 H new ATOM 0 HG12 VAL A 14 133.074 -2.065 2.558 1.00 0.00 H new ATOM 0 HG13 VAL A 14 132.633 -0.609 3.482 1.00 0.00 H new ATOM 0 HG21 VAL A 14 132.034 -1.997 6.126 1.00 0.00 H new ATOM 0 HG22 VAL A 14 130.901 -0.837 5.393 1.00 0.00 H new ATOM 0 HG23 VAL A 14 130.346 -2.472 5.822 1.00 0.00 H new ATOM 210 N ARG A 15 130.880 -3.027 0.986 1.00 0.00 N ATOM 211 CA ARG A 15 130.738 -3.966 -0.093 1.00 0.00 C ATOM 212 C ARG A 15 131.988 -4.815 -0.225 1.00 0.00 C ATOM 213 O ARG A 15 133.048 -4.365 -0.658 1.00 0.00 O ATOM 214 CB ARG A 15 130.377 -3.196 -1.366 1.00 0.00 C ATOM 215 CG ARG A 15 129.168 -3.698 -2.128 1.00 0.00 C ATOM 216 CD ARG A 15 128.823 -5.137 -1.820 1.00 0.00 C ATOM 217 NE ARG A 15 129.948 -6.043 -2.036 1.00 0.00 N ATOM 218 CZ ARG A 15 130.721 -6.039 -3.121 1.00 0.00 C ATOM 219 NH1 ARG A 15 130.408 -5.312 -4.165 1.00 0.00 N ATOM 220 NH2 ARG A 15 131.812 -6.782 -3.164 1.00 0.00 N ATOM 0 H ARG A 15 131.499 -2.237 0.805 1.00 0.00 H new ATOM 0 HA ARG A 15 129.929 -4.669 0.105 1.00 0.00 H new ATOM 0 HB2 ARG A 15 130.206 -2.153 -1.099 1.00 0.00 H new ATOM 0 HB3 ARG A 15 131.237 -3.217 -2.035 1.00 0.00 H new ATOM 0 HG2 ARG A 15 128.311 -3.067 -1.892 1.00 0.00 H new ATOM 0 HG3 ARG A 15 129.353 -3.597 -3.197 1.00 0.00 H new ATOM 0 HD2 ARG A 15 128.493 -5.214 -0.784 1.00 0.00 H new ATOM 0 HD3 ARG A 15 127.986 -5.448 -2.445 1.00 0.00 H new ATOM 0 HE ARG A 15 130.156 -6.725 -1.307 1.00 0.00 H new ATOM 0 HH11 ARG A 15 129.564 -4.740 -4.153 1.00 0.00 H new ATOM 0 HH12 ARG A 15 131.009 -5.318 -4.989 1.00 0.00 H new ATOM 0 HH21 ARG A 15 132.066 -7.362 -2.364 1.00 0.00 H new ATOM 0 HH22 ARG A 15 132.401 -6.776 -3.997 1.00 0.00 H new ATOM 234 N LYS A 16 131.810 -6.075 0.181 1.00 0.00 N ATOM 235 CA LYS A 16 132.868 -7.079 0.162 1.00 0.00 C ATOM 236 C LYS A 16 132.364 -8.433 -0.328 1.00 0.00 C ATOM 237 O LYS A 16 131.425 -8.984 0.244 1.00 0.00 O ATOM 238 CB LYS A 16 133.466 -7.203 1.565 1.00 0.00 C ATOM 239 CG LYS A 16 133.841 -8.614 2.010 1.00 0.00 C ATOM 240 CD LYS A 16 133.704 -8.740 3.513 1.00 0.00 C ATOM 241 CE LYS A 16 134.968 -9.264 4.169 1.00 0.00 C ATOM 242 NZ LYS A 16 134.860 -9.254 5.656 1.00 0.00 N ATOM 0 H LYS A 16 130.920 -6.426 0.534 1.00 0.00 H new ATOM 0 HA LYS A 16 133.636 -6.755 -0.541 1.00 0.00 H new ATOM 0 HB2 LYS A 16 134.358 -6.579 1.615 1.00 0.00 H new ATOM 0 HB3 LYS A 16 132.752 -6.796 2.280 1.00 0.00 H new ATOM 0 HG2 LYS A 16 133.198 -9.342 1.516 1.00 0.00 H new ATOM 0 HG3 LYS A 16 134.865 -8.838 1.710 1.00 0.00 H new ATOM 0 HD2 LYS A 16 133.456 -7.766 3.935 1.00 0.00 H new ATOM 0 HD3 LYS A 16 132.874 -9.408 3.744 1.00 0.00 H new ATOM 0 HE2 LYS A 16 135.163 -10.280 3.825 1.00 0.00 H new ATOM 0 HE3 LYS A 16 135.818 -8.655 3.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 135.791 -9.047 6.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 134.180 -8.524 5.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 134.533 -10.184 5.987 1.00 0.00 H new ATOM 256 N ASP A 17 133.016 -9.007 -1.327 1.00 0.00 N ATOM 257 CA ASP A 17 132.643 -10.336 -1.795 1.00 0.00 C ATOM 258 C ASP A 17 131.169 -10.435 -2.194 1.00 0.00 C ATOM 259 O ASP A 17 130.492 -11.403 -1.851 1.00 0.00 O ATOM 260 CB ASP A 17 132.957 -11.360 -0.702 1.00 0.00 C ATOM 261 CG ASP A 17 134.075 -12.306 -1.096 1.00 0.00 C ATOM 262 OD1 ASP A 17 135.015 -11.860 -1.786 1.00 0.00 O ATOM 263 OD2 ASP A 17 134.009 -13.494 -0.715 1.00 0.00 O ATOM 0 H ASP A 17 133.797 -8.581 -1.826 1.00 0.00 H new ATOM 0 HA ASP A 17 133.225 -10.542 -2.693 1.00 0.00 H new ATOM 0 HB2 ASP A 17 133.234 -10.836 0.213 1.00 0.00 H new ATOM 0 HB3 ASP A 17 132.059 -11.937 -0.480 1.00 0.00 H new ATOM 268 N GLY A 18 130.679 -9.454 -2.938 1.00 0.00 N ATOM 269 CA GLY A 18 129.303 -9.465 -3.391 1.00 0.00 C ATOM 270 C GLY A 18 128.269 -9.436 -2.273 1.00 0.00 C ATOM 271 O GLY A 18 127.101 -9.737 -2.518 1.00 0.00 O ATOM 0 H GLY A 18 131.217 -8.642 -3.239 1.00 0.00 H new ATOM 0 HA2 GLY A 18 129.141 -8.605 -4.041 1.00 0.00 H new ATOM 0 HA3 GLY A 18 129.140 -10.357 -3.996 1.00 0.00 H new ATOM 275 N GLU A 19 128.667 -9.089 -1.045 1.00 0.00 N ATOM 276 CA GLU A 19 127.714 -9.056 0.056 1.00 0.00 C ATOM 277 C GLU A 19 127.866 -7.792 0.881 1.00 0.00 C ATOM 278 O GLU A 19 128.883 -7.103 0.804 1.00 0.00 O ATOM 279 CB GLU A 19 127.896 -10.274 0.966 1.00 0.00 C ATOM 280 CG GLU A 19 129.104 -11.135 0.634 1.00 0.00 C ATOM 281 CD GLU A 19 129.234 -12.336 1.550 1.00 0.00 C ATOM 282 OE1 GLU A 19 129.738 -12.169 2.681 1.00 0.00 O ATOM 283 OE2 GLU A 19 128.830 -13.444 1.137 1.00 0.00 O ATOM 0 H GLU A 19 129.623 -8.833 -0.796 1.00 0.00 H new ATOM 0 HA GLU A 19 126.716 -9.073 -0.381 1.00 0.00 H new ATOM 0 HB2 GLU A 19 127.982 -9.931 1.997 1.00 0.00 H new ATOM 0 HB3 GLU A 19 126.999 -10.891 0.909 1.00 0.00 H new ATOM 0 HG2 GLU A 19 129.029 -11.477 -0.398 1.00 0.00 H new ATOM 0 HG3 GLU A 19 130.008 -10.529 0.705 1.00 0.00 H new ATOM 290 N TRP A 20 126.846 -7.490 1.675 1.00 0.00 N ATOM 291 CA TRP A 20 126.872 -6.316 2.513 1.00 0.00 C ATOM 292 C TRP A 20 127.363 -6.658 3.900 1.00 0.00 C ATOM 293 O TRP A 20 126.780 -7.486 4.601 1.00 0.00 O ATOM 294 CB TRP A 20 125.504 -5.646 2.571 1.00 0.00 C ATOM 295 CG TRP A 20 125.137 -5.102 1.240 1.00 0.00 C ATOM 296 CD1 TRP A 20 124.136 -5.504 0.406 1.00 0.00 C ATOM 297 CD2 TRP A 20 125.830 -4.062 0.572 1.00 0.00 C ATOM 298 NE1 TRP A 20 124.157 -4.745 -0.741 1.00 0.00 N ATOM 299 CE2 TRP A 20 125.193 -3.857 -0.659 1.00 0.00 C ATOM 300 CE3 TRP A 20 126.932 -3.278 0.908 1.00 0.00 C ATOM 301 CZ2 TRP A 20 125.625 -2.896 -1.557 1.00 0.00 C ATOM 302 CZ3 TRP A 20 127.362 -2.333 0.018 1.00 0.00 C ATOM 303 CH2 TRP A 20 126.707 -2.146 -1.205 1.00 0.00 C ATOM 0 H TRP A 20 125.995 -8.047 1.750 1.00 0.00 H new ATOM 0 HA TRP A 20 127.570 -5.606 2.069 1.00 0.00 H new ATOM 0 HB2 TRP A 20 124.753 -6.366 2.896 1.00 0.00 H new ATOM 0 HB3 TRP A 20 125.516 -4.843 3.308 1.00 0.00 H new ATOM 0 HD1 TRP A 20 123.434 -6.298 0.614 1.00 0.00 H new ATOM 0 HE1 TRP A 20 123.507 -4.831 -1.523 1.00 0.00 H new ATOM 0 HE3 TRP A 20 127.437 -3.414 1.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 125.123 -2.746 -2.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 128.219 -1.722 0.262 1.00 0.00 H new ATOM 0 HH2 TRP A 20 127.068 -1.389 -1.886 1.00 0.00 H new ATOM 314 N VAL A 21 128.452 -6.021 4.278 1.00 0.00 N ATOM 315 CA VAL A 21 129.059 -6.251 5.575 1.00 0.00 C ATOM 316 C VAL A 21 129.007 -5.007 6.422 1.00 0.00 C ATOM 317 O VAL A 21 129.340 -3.913 5.983 1.00 0.00 O ATOM 318 CB VAL A 21 130.510 -6.746 5.431 1.00 0.00 C ATOM 319 CG1 VAL A 21 130.584 -7.700 4.261 1.00 0.00 C ATOM 320 CG2 VAL A 21 131.474 -5.589 5.239 1.00 0.00 C ATOM 0 H VAL A 21 128.939 -5.335 3.701 1.00 0.00 H new ATOM 0 HA VAL A 21 128.484 -7.030 6.075 1.00 0.00 H new ATOM 0 HB VAL A 21 130.803 -7.259 6.347 1.00 0.00 H new ATOM 0 HG11 VAL A 21 131.607 -8.058 4.148 1.00 0.00 H new ATOM 0 HG12 VAL A 21 129.921 -8.546 4.439 1.00 0.00 H new ATOM 0 HG13 VAL A 21 130.278 -7.184 3.351 1.00 0.00 H new ATOM 0 HG21 VAL A 21 132.489 -5.974 5.141 1.00 0.00 H new ATOM 0 HG22 VAL A 21 131.206 -5.038 4.338 1.00 0.00 H new ATOM 0 HG23 VAL A 21 131.420 -4.924 6.101 1.00 0.00 H new ATOM 330 N LEU A 22 128.558 -5.201 7.636 1.00 0.00 N ATOM 331 CA LEU A 22 128.410 -4.129 8.591 1.00 0.00 C ATOM 332 C LEU A 22 129.687 -3.301 8.716 1.00 0.00 C ATOM 333 O LEU A 22 130.760 -3.821 9.020 1.00 0.00 O ATOM 334 CB LEU A 22 128.028 -4.754 9.932 1.00 0.00 C ATOM 335 CG LEU A 22 126.826 -4.164 10.704 1.00 0.00 C ATOM 336 CD1 LEU A 22 127.226 -3.000 11.587 1.00 0.00 C ATOM 337 CD2 LEU A 22 125.723 -3.662 9.789 1.00 0.00 C ATOM 0 H LEU A 22 128.282 -6.115 7.994 1.00 0.00 H new ATOM 0 HA LEU A 22 127.633 -3.442 8.255 1.00 0.00 H new ATOM 0 HB2 LEU A 22 127.825 -5.811 9.759 1.00 0.00 H new ATOM 0 HB3 LEU A 22 128.900 -4.699 10.584 1.00 0.00 H new ATOM 0 HG LEU A 22 126.460 -4.996 11.306 1.00 0.00 H new ATOM 0 HD11 LEU A 22 126.347 -2.620 12.108 1.00 0.00 H new ATOM 0 HD12 LEU A 22 127.965 -3.333 12.316 1.00 0.00 H new ATOM 0 HD13 LEU A 22 127.654 -2.208 10.973 1.00 0.00 H new ATOM 0 HD21 LEU A 22 124.907 -3.260 10.389 1.00 0.00 H new ATOM 0 HD22 LEU A 22 126.116 -2.879 9.140 1.00 0.00 H new ATOM 0 HD23 LEU A 22 125.353 -4.486 9.179 1.00 0.00 H new ATOM 349 N LEU A 23 129.539 -2.001 8.490 1.00 0.00 N ATOM 350 CA LEU A 23 130.645 -1.054 8.581 1.00 0.00 C ATOM 351 C LEU A 23 131.275 -1.106 9.953 1.00 0.00 C ATOM 352 O LEU A 23 132.486 -0.951 10.109 1.00 0.00 O ATOM 353 CB LEU A 23 130.119 0.350 8.332 1.00 0.00 C ATOM 354 CG LEU A 23 131.109 1.510 8.576 1.00 0.00 C ATOM 355 CD1 LEU A 23 132.508 1.194 8.083 1.00 0.00 C ATOM 356 CD2 LEU A 23 130.634 2.778 7.905 1.00 0.00 C ATOM 0 H LEU A 23 128.648 -1.573 8.238 1.00 0.00 H new ATOM 0 HA LEU A 23 131.396 -1.317 7.836 1.00 0.00 H new ATOM 0 HB2 LEU A 23 129.774 0.407 7.299 1.00 0.00 H new ATOM 0 HB3 LEU A 23 129.248 0.506 8.968 1.00 0.00 H new ATOM 0 HG LEU A 23 131.147 1.650 9.656 1.00 0.00 H new ATOM 0 HD11 LEU A 23 133.163 2.043 8.279 1.00 0.00 H new ATOM 0 HD12 LEU A 23 132.887 0.315 8.604 1.00 0.00 H new ATOM 0 HD13 LEU A 23 132.480 0.997 7.011 1.00 0.00 H new ATOM 0 HD21 LEU A 23 131.349 3.579 8.093 1.00 0.00 H new ATOM 0 HD22 LEU A 23 130.549 2.612 6.831 1.00 0.00 H new ATOM 0 HD23 LEU A 23 129.661 3.060 8.307 1.00 0.00 H new ATOM 368 N SER A 24 130.441 -1.306 10.949 1.00 0.00 N ATOM 369 CA SER A 24 130.899 -1.353 12.328 1.00 0.00 C ATOM 370 C SER A 24 131.803 -2.557 12.561 1.00 0.00 C ATOM 371 O SER A 24 132.621 -2.549 13.481 1.00 0.00 O ATOM 372 CB SER A 24 129.701 -1.411 13.279 1.00 0.00 C ATOM 373 OG SER A 24 128.537 -0.887 12.664 1.00 0.00 O ATOM 0 H SER A 24 129.436 -1.440 10.833 1.00 0.00 H new ATOM 0 HA SER A 24 131.473 -0.448 12.526 1.00 0.00 H new ATOM 0 HB2 SER A 24 129.523 -2.443 13.582 1.00 0.00 H new ATOM 0 HB3 SER A 24 129.924 -0.846 14.184 1.00 0.00 H new ATOM 0 HG SER A 24 127.766 -1.024 13.253 1.00 0.00 H new ATOM 379 N THR A 25 131.702 -3.570 11.703 1.00 0.00 N ATOM 380 CA THR A 25 132.575 -4.728 11.826 1.00 0.00 C ATOM 381 C THR A 25 133.998 -4.320 11.446 1.00 0.00 C ATOM 382 O THR A 25 134.979 -4.956 11.831 1.00 0.00 O ATOM 383 CB THR A 25 132.105 -5.877 10.929 1.00 0.00 C ATOM 384 OG1 THR A 25 130.814 -6.312 11.314 1.00 0.00 O ATOM 385 CG2 THR A 25 133.015 -7.088 10.943 1.00 0.00 C ATOM 0 H THR A 25 131.037 -3.611 10.930 1.00 0.00 H new ATOM 0 HA THR A 25 132.548 -5.079 12.858 1.00 0.00 H new ATOM 0 HB THR A 25 132.110 -5.462 9.921 1.00 0.00 H new ATOM 0 HG1 THR A 25 130.528 -7.045 10.730 1.00 0.00 H new ATOM 0 HG21 THR A 25 132.610 -7.855 10.282 1.00 0.00 H new ATOM 0 HG22 THR A 25 134.009 -6.800 10.599 1.00 0.00 H new ATOM 0 HG23 THR A 25 133.082 -7.481 11.957 1.00 0.00 H new ATOM 393 N PHE A 26 134.072 -3.239 10.668 1.00 0.00 N ATOM 394 CA PHE A 26 135.326 -2.677 10.174 1.00 0.00 C ATOM 395 C PHE A 26 135.773 -1.516 11.040 1.00 0.00 C ATOM 396 O PHE A 26 136.868 -0.988 10.879 1.00 0.00 O ATOM 397 CB PHE A 26 135.127 -2.251 8.716 1.00 0.00 C ATOM 398 CG PHE A 26 135.005 -3.457 7.823 1.00 0.00 C ATOM 399 CD1 PHE A 26 133.858 -4.243 7.864 1.00 0.00 C ATOM 400 CD2 PHE A 26 136.036 -3.833 6.978 1.00 0.00 C ATOM 401 CE1 PHE A 26 133.744 -5.377 7.078 1.00 0.00 C ATOM 402 CE2 PHE A 26 135.923 -4.964 6.186 1.00 0.00 C ATOM 403 CZ PHE A 26 134.774 -5.736 6.240 1.00 0.00 C ATOM 0 H PHE A 26 133.248 -2.723 10.360 1.00 0.00 H new ATOM 0 HA PHE A 26 136.115 -3.427 10.222 1.00 0.00 H new ATOM 0 HB2 PHE A 26 134.231 -1.636 8.630 1.00 0.00 H new ATOM 0 HB3 PHE A 26 135.967 -1.636 8.393 1.00 0.00 H new ATOM 0 HD1 PHE A 26 133.045 -3.965 8.518 1.00 0.00 H new ATOM 0 HD2 PHE A 26 136.937 -3.239 6.936 1.00 0.00 H new ATOM 0 HE1 PHE A 26 132.848 -5.979 7.123 1.00 0.00 H new ATOM 0 HE2 PHE A 26 136.731 -5.244 5.526 1.00 0.00 H new ATOM 0 HZ PHE A 26 134.687 -6.619 5.625 1.00 0.00 H new ATOM 413 N LEU A 27 134.931 -1.133 11.979 1.00 0.00 N ATOM 414 CA LEU A 27 135.247 -0.045 12.872 1.00 0.00 C ATOM 415 C LEU A 27 135.448 -0.544 14.300 1.00 0.00 C ATOM 416 O LEU A 27 134.536 -1.218 14.824 1.00 0.00 O ATOM 417 CB LEU A 27 134.126 0.980 12.817 1.00 0.00 C ATOM 418 CG LEU A 27 134.495 2.303 12.162 1.00 0.00 C ATOM 419 CD1 LEU A 27 135.288 2.124 10.878 1.00 0.00 C ATOM 420 CD2 LEU A 27 133.263 3.128 11.932 1.00 0.00 C ATOM 421 OXT LEU A 27 136.515 -0.257 14.882 1.00 0.00 O ATOM 0 H LEU A 27 134.020 -1.563 12.141 1.00 0.00 H new ATOM 0 HA LEU A 27 136.182 0.416 12.554 1.00 0.00 H new ATOM 0 HB2 LEU A 27 133.284 0.547 12.277 1.00 0.00 H new ATOM 0 HB3 LEU A 27 133.785 1.178 13.833 1.00 0.00 H new ATOM 0 HG LEU A 27 135.152 2.834 12.851 1.00 0.00 H new ATOM 0 HD11 LEU A 27 135.523 3.101 10.456 1.00 0.00 H new ATOM 0 HD12 LEU A 27 136.214 1.590 11.093 1.00 0.00 H new ATOM 0 HD13 LEU A 27 134.697 1.552 10.162 1.00 0.00 H new ATOM 0 HD21 LEU A 27 133.540 4.072 11.463 1.00 0.00 H new ATOM 0 HD22 LEU A 27 132.578 2.586 11.280 1.00 0.00 H new ATOM 0 HD23 LEU A 27 132.775 3.326 12.886 1.00 0.00 H new ATOM 434 N GLY B 1 116.789 -5.964 -3.812 1.00 0.00 N ATOM 435 CA GLY B 1 117.138 -5.987 -5.260 1.00 0.00 C ATOM 436 C GLY B 1 118.487 -5.359 -5.546 1.00 0.00 C ATOM 437 O GLY B 1 119.525 -5.917 -5.188 1.00 0.00 O ATOM 0 H1 GLY B 1 115.858 -6.405 -3.672 1.00 0.00 H new ATOM 0 H2 GLY B 1 117.506 -6.491 -3.274 1.00 0.00 H new ATOM 0 H3 GLY B 1 116.759 -4.980 -3.478 1.00 0.00 H new ATOM 0 HA2 GLY B 1 117.140 -7.018 -5.613 1.00 0.00 H new ATOM 0 HA3 GLY B 1 116.369 -5.459 -5.823 1.00 0.00 H new ATOM 443 N TYR B 2 118.476 -4.199 -6.198 1.00 0.00 N ATOM 444 CA TYR B 2 119.711 -3.500 -6.539 1.00 0.00 C ATOM 445 C TYR B 2 119.651 -2.025 -6.123 1.00 0.00 C ATOM 446 O TYR B 2 118.625 -1.365 -6.284 1.00 0.00 O ATOM 447 CB TYR B 2 119.984 -3.625 -8.034 1.00 0.00 C ATOM 448 CG TYR B 2 120.920 -4.759 -8.398 1.00 0.00 C ATOM 449 CD1 TYR B 2 120.675 -6.058 -7.969 1.00 0.00 C ATOM 450 CD2 TYR B 2 122.048 -4.529 -9.177 1.00 0.00 C ATOM 451 CE1 TYR B 2 121.528 -7.094 -8.302 1.00 0.00 C ATOM 452 CE2 TYR B 2 122.904 -5.561 -9.514 1.00 0.00 C ATOM 453 CZ TYR B 2 122.640 -6.839 -9.074 1.00 0.00 C ATOM 454 OH TYR B 2 123.493 -7.867 -9.407 1.00 0.00 O ATOM 0 H TYR B 2 117.626 -3.724 -6.500 1.00 0.00 H new ATOM 0 HA TYR B 2 120.529 -3.964 -5.988 1.00 0.00 H new ATOM 0 HB2 TYR B 2 119.037 -3.768 -8.555 1.00 0.00 H new ATOM 0 HB3 TYR B 2 120.408 -2.688 -8.395 1.00 0.00 H new ATOM 0 HD1 TYR B 2 119.803 -6.262 -7.365 1.00 0.00 H new ATOM 0 HD2 TYR B 2 122.259 -3.528 -9.524 1.00 0.00 H new ATOM 0 HE1 TYR B 2 121.324 -8.097 -7.959 1.00 0.00 H new ATOM 0 HE2 TYR B 2 123.776 -5.366 -10.120 1.00 0.00 H new ATOM 0 HH TYR B 2 124.406 -7.521 -9.489 1.00 0.00 H new ATOM 464 N ILE B 3 120.760 -1.525 -5.577 1.00 0.00 N ATOM 465 CA ILE B 3 120.850 -0.133 -5.118 1.00 0.00 C ATOM 466 C ILE B 3 121.307 0.826 -6.197 1.00 0.00 C ATOM 467 O ILE B 3 121.944 0.434 -7.174 1.00 0.00 O ATOM 468 CB ILE B 3 121.827 0.076 -3.960 1.00 0.00 C ATOM 469 CG1 ILE B 3 123.131 -0.673 -4.195 1.00 0.00 C ATOM 470 CG2 ILE B 3 121.213 -0.307 -2.641 1.00 0.00 C ATOM 471 CD1 ILE B 3 124.105 -0.606 -3.036 1.00 0.00 C ATOM 0 H ILE B 3 121.615 -2.065 -5.440 1.00 0.00 H new ATOM 0 HA ILE B 3 119.826 0.074 -4.806 1.00 0.00 H new ATOM 0 HB ILE B 3 122.056 1.141 -3.918 1.00 0.00 H new ATOM 0 HG12 ILE B 3 122.904 -1.718 -4.404 1.00 0.00 H new ATOM 0 HG13 ILE B 3 123.614 -0.268 -5.084 1.00 0.00 H new ATOM 0 HG21 ILE B 3 121.937 -0.145 -1.842 1.00 0.00 H new ATOM 0 HG22 ILE B 3 120.329 0.305 -2.460 1.00 0.00 H new ATOM 0 HG23 ILE B 3 120.928 -1.359 -2.664 1.00 0.00 H new ATOM 0 HD11 ILE B 3 125.007 -1.165 -3.286 1.00 0.00 H new ATOM 0 HD12 ILE B 3 124.366 0.434 -2.839 1.00 0.00 H new ATOM 0 HD13 ILE B 3 123.644 -1.039 -2.148 1.00 0.00 H new ATOM 483 N PRO B 4 121.014 2.121 -5.997 1.00 0.00 N ATOM 484 CA PRO B 4 121.417 3.165 -6.908 1.00 0.00 C ATOM 485 C PRO B 4 122.777 3.756 -6.528 1.00 0.00 C ATOM 486 O PRO B 4 123.194 3.706 -5.373 1.00 0.00 O ATOM 487 CB PRO B 4 120.295 4.180 -6.759 1.00 0.00 C ATOM 488 CG PRO B 4 119.876 4.060 -5.321 1.00 0.00 C ATOM 489 CD PRO B 4 120.294 2.680 -4.843 1.00 0.00 C ATOM 0 HA PRO B 4 121.552 2.819 -7.933 1.00 0.00 H new ATOM 0 HB2 PRO B 4 120.637 5.189 -6.991 1.00 0.00 H new ATOM 0 HB3 PRO B 4 119.468 3.961 -7.434 1.00 0.00 H new ATOM 0 HG2 PRO B 4 120.348 4.835 -4.717 1.00 0.00 H new ATOM 0 HG3 PRO B 4 118.798 4.191 -5.222 1.00 0.00 H new ATOM 0 HD2 PRO B 4 120.932 2.737 -3.961 1.00 0.00 H new ATOM 0 HD3 PRO B 4 119.432 2.070 -4.574 1.00 0.00 H new ATOM 497 N GLU B 5 123.476 4.267 -7.540 1.00 0.00 N ATOM 498 CA GLU B 5 124.815 4.825 -7.383 1.00 0.00 C ATOM 499 C GLU B 5 124.897 5.981 -6.386 1.00 0.00 C ATOM 500 O GLU B 5 124.003 6.823 -6.301 1.00 0.00 O ATOM 501 CB GLU B 5 125.356 5.269 -8.740 1.00 0.00 C ATOM 502 CG GLU B 5 126.707 5.951 -8.649 1.00 0.00 C ATOM 503 CD GLU B 5 127.720 5.399 -9.627 1.00 0.00 C ATOM 504 OE1 GLU B 5 127.353 5.163 -10.798 1.00 0.00 O ATOM 505 OE2 GLU B 5 128.882 5.205 -9.217 1.00 0.00 O ATOM 0 H GLU B 5 123.126 4.305 -8.497 1.00 0.00 H new ATOM 0 HA GLU B 5 125.429 4.025 -6.969 1.00 0.00 H new ATOM 0 HB2 GLU B 5 125.438 4.400 -9.393 1.00 0.00 H new ATOM 0 HB3 GLU B 5 124.642 5.950 -9.203 1.00 0.00 H new ATOM 0 HG2 GLU B 5 126.581 7.018 -8.830 1.00 0.00 H new ATOM 0 HG3 GLU B 5 127.094 5.843 -7.636 1.00 0.00 H new ATOM 512 N ALA B 6 126.010 6.005 -5.649 1.00 0.00 N ATOM 513 CA ALA B 6 126.280 7.043 -4.657 1.00 0.00 C ATOM 514 C ALA B 6 126.993 8.250 -5.282 1.00 0.00 C ATOM 515 O ALA B 6 127.794 8.100 -6.206 1.00 0.00 O ATOM 516 CB ALA B 6 127.121 6.480 -3.522 1.00 0.00 C ATOM 0 H ALA B 6 126.748 5.305 -5.725 1.00 0.00 H new ATOM 0 HA ALA B 6 125.321 7.382 -4.266 1.00 0.00 H new ATOM 0 HB1 ALA B 6 127.315 7.264 -2.790 1.00 0.00 H new ATOM 0 HB2 ALA B 6 126.584 5.661 -3.043 1.00 0.00 H new ATOM 0 HB3 ALA B 6 128.067 6.111 -3.918 1.00 0.00 H new ATOM 522 N PRO B 7 126.704 9.465 -4.777 1.00 0.00 N ATOM 523 CA PRO B 7 127.302 10.710 -5.268 1.00 0.00 C ATOM 524 C PRO B 7 128.795 10.592 -5.584 1.00 0.00 C ATOM 525 O PRO B 7 129.502 9.760 -5.014 1.00 0.00 O ATOM 526 CB PRO B 7 127.108 11.695 -4.107 1.00 0.00 C ATOM 527 CG PRO B 7 126.183 11.045 -3.124 1.00 0.00 C ATOM 528 CD PRO B 7 125.757 9.716 -3.686 1.00 0.00 C ATOM 0 HA PRO B 7 126.835 11.012 -6.205 1.00 0.00 H new ATOM 0 HB2 PRO B 7 128.064 11.930 -3.638 1.00 0.00 H new ATOM 0 HB3 PRO B 7 126.689 12.635 -4.466 1.00 0.00 H new ATOM 0 HG2 PRO B 7 126.682 10.909 -2.165 1.00 0.00 H new ATOM 0 HG3 PRO B 7 125.314 11.678 -2.944 1.00 0.00 H new ATOM 0 HD2 PRO B 7 125.803 8.931 -2.931 1.00 0.00 H new ATOM 0 HD3 PRO B 7 124.730 9.748 -4.050 1.00 0.00 H new ATOM 536 N ARG B 8 129.263 11.447 -6.494 1.00 0.00 N ATOM 537 CA ARG B 8 130.668 11.475 -6.900 1.00 0.00 C ATOM 538 C ARG B 8 131.341 12.758 -6.432 1.00 0.00 C ATOM 539 O ARG B 8 131.762 13.585 -7.243 1.00 0.00 O ATOM 540 CB ARG B 8 130.773 11.363 -8.411 1.00 0.00 C ATOM 541 CG ARG B 8 130.827 9.931 -8.907 1.00 0.00 C ATOM 542 CD ARG B 8 129.445 9.306 -8.979 1.00 0.00 C ATOM 543 NE ARG B 8 129.002 9.098 -10.358 1.00 0.00 N ATOM 544 CZ ARG B 8 129.643 8.331 -11.239 1.00 0.00 C ATOM 545 NH1 ARG B 8 130.759 7.703 -10.894 1.00 0.00 N ATOM 546 NH2 ARG B 8 129.167 8.193 -12.469 1.00 0.00 N ATOM 0 H ARG B 8 128.681 12.137 -6.969 1.00 0.00 H new ATOM 0 HA ARG B 8 131.175 10.629 -6.437 1.00 0.00 H new ATOM 0 HB2 ARG B 8 129.919 11.865 -8.865 1.00 0.00 H new ATOM 0 HB3 ARG B 8 131.667 11.889 -8.746 1.00 0.00 H new ATOM 0 HG2 ARG B 8 131.289 9.905 -9.894 1.00 0.00 H new ATOM 0 HG3 ARG B 8 131.459 9.340 -8.244 1.00 0.00 H new ATOM 0 HD2 ARG B 8 129.453 8.351 -8.454 1.00 0.00 H new ATOM 0 HD3 ARG B 8 128.731 9.948 -8.463 1.00 0.00 H new ATOM 0 HE ARG B 8 128.150 9.569 -10.664 1.00 0.00 H new ATOM 0 HH11 ARG B 8 131.131 7.806 -9.950 1.00 0.00 H new ATOM 0 HH12 ARG B 8 131.245 7.117 -11.573 1.00 0.00 H new ATOM 0 HH21 ARG B 8 128.310 8.674 -12.741 1.00 0.00 H new ATOM 0 HH22 ARG B 8 129.658 7.606 -13.143 1.00 0.00 H new ATOM 560 N ASP B 9 131.443 12.918 -5.124 1.00 0.00 N ATOM 561 CA ASP B 9 132.068 14.100 -4.550 1.00 0.00 C ATOM 562 C ASP B 9 133.399 13.756 -3.884 1.00 0.00 C ATOM 563 O ASP B 9 133.903 14.521 -3.062 1.00 0.00 O ATOM 564 CB ASP B 9 131.156 14.750 -3.509 1.00 0.00 C ATOM 565 CG ASP B 9 130.905 13.856 -2.309 1.00 0.00 C ATOM 566 OD1 ASP B 9 130.888 12.619 -2.484 1.00 0.00 O ATOM 567 OD2 ASP B 9 130.723 14.393 -1.197 1.00 0.00 O ATOM 0 H ASP B 9 131.101 12.245 -4.438 1.00 0.00 H new ATOM 0 HA ASP B 9 132.244 14.796 -5.371 1.00 0.00 H new ATOM 0 HB2 ASP B 9 131.604 15.685 -3.173 1.00 0.00 H new ATOM 0 HB3 ASP B 9 130.203 15.003 -3.974 1.00 0.00 H new ATOM 572 N GLY B 10 133.962 12.608 -4.233 1.00 0.00 N ATOM 573 CA GLY B 10 135.225 12.200 -3.643 1.00 0.00 C ATOM 574 C GLY B 10 135.068 11.699 -2.225 1.00 0.00 C ATOM 575 O GLY B 10 136.061 11.433 -1.547 1.00 0.00 O ATOM 0 H GLY B 10 133.571 11.953 -4.910 1.00 0.00 H new ATOM 0 HA2 GLY B 10 135.671 11.416 -4.254 1.00 0.00 H new ATOM 0 HA3 GLY B 10 135.916 13.043 -3.652 1.00 0.00 H new ATOM 579 N GLN B 11 133.826 11.544 -1.772 1.00 0.00 N ATOM 580 CA GLN B 11 133.586 11.044 -0.431 1.00 0.00 C ATOM 581 C GLN B 11 133.113 9.617 -0.489 1.00 0.00 C ATOM 582 O GLN B 11 132.494 9.188 -1.462 1.00 0.00 O ATOM 583 CB GLN B 11 132.575 11.883 0.329 1.00 0.00 C ATOM 584 CG GLN B 11 133.211 12.754 1.402 1.00 0.00 C ATOM 585 CD GLN B 11 133.477 14.169 0.928 1.00 0.00 C ATOM 586 OE1 GLN B 11 134.628 14.572 0.756 1.00 0.00 O ATOM 587 NE2 GLN B 11 132.417 14.930 0.715 1.00 0.00 N ATOM 0 H GLN B 11 132.985 11.755 -2.309 1.00 0.00 H new ATOM 0 HA GLN B 11 134.533 11.103 0.106 1.00 0.00 H new ATOM 0 HB2 GLN B 11 132.036 12.518 -0.374 1.00 0.00 H new ATOM 0 HB3 GLN B 11 131.840 11.225 0.792 1.00 0.00 H new ATOM 0 HG2 GLN B 11 132.557 12.784 2.274 1.00 0.00 H new ATOM 0 HG3 GLN B 11 134.149 12.301 1.723 1.00 0.00 H new ATOM 0 HE21 GLN B 11 131.481 14.556 0.870 1.00 0.00 H new ATOM 0 HE22 GLN B 11 132.535 15.891 0.395 1.00 0.00 H new ATOM 596 N ALA B 12 133.418 8.889 0.558 1.00 0.00 N ATOM 597 CA ALA B 12 133.050 7.487 0.657 1.00 0.00 C ATOM 598 C ALA B 12 131.732 7.308 1.358 1.00 0.00 C ATOM 599 O ALA B 12 131.443 7.959 2.361 1.00 0.00 O ATOM 600 CB ALA B 12 134.142 6.692 1.356 1.00 0.00 C ATOM 0 H ALA B 12 133.927 9.246 1.367 1.00 0.00 H new ATOM 0 HA ALA B 12 132.938 7.105 -0.358 1.00 0.00 H new ATOM 0 HB1 ALA B 12 133.846 5.645 1.419 1.00 0.00 H new ATOM 0 HB2 ALA B 12 135.070 6.773 0.790 1.00 0.00 H new ATOM 0 HB3 ALA B 12 134.294 7.088 2.360 1.00 0.00 H new ATOM 606 N TYR B 13 130.930 6.422 0.805 1.00 0.00 N ATOM 607 CA TYR B 13 129.629 6.145 1.347 1.00 0.00 C ATOM 608 C TYR B 13 129.492 4.702 1.737 1.00 0.00 C ATOM 609 O TYR B 13 130.146 3.805 1.205 1.00 0.00 O ATOM 610 CB TYR B 13 128.550 6.482 0.337 1.00 0.00 C ATOM 611 CG TYR B 13 128.334 7.958 0.178 1.00 0.00 C ATOM 612 CD1 TYR B 13 127.651 8.688 1.129 1.00 0.00 C ATOM 613 CD2 TYR B 13 128.830 8.617 -0.920 1.00 0.00 C ATOM 614 CE1 TYR B 13 127.472 10.050 0.990 1.00 0.00 C ATOM 615 CE2 TYR B 13 128.659 9.977 -1.073 1.00 0.00 C ATOM 616 CZ TYR B 13 127.982 10.691 -0.113 1.00 0.00 C ATOM 617 OH TYR B 13 127.808 12.050 -0.263 1.00 0.00 O ATOM 0 H TYR B 13 131.165 5.880 -0.027 1.00 0.00 H new ATOM 0 HA TYR B 13 129.512 6.765 2.236 1.00 0.00 H new ATOM 0 HB2 TYR B 13 128.818 6.054 -0.629 1.00 0.00 H new ATOM 0 HB3 TYR B 13 127.614 6.015 0.644 1.00 0.00 H new ATOM 0 HD1 TYR B 13 127.250 8.186 1.997 1.00 0.00 H new ATOM 0 HD2 TYR B 13 129.363 8.061 -1.677 1.00 0.00 H new ATOM 0 HE1 TYR B 13 126.935 10.608 1.743 1.00 0.00 H new ATOM 0 HE2 TYR B 13 129.055 10.479 -1.943 1.00 0.00 H new ATOM 0 HH TYR B 13 128.231 12.344 -1.097 1.00 0.00 H new ATOM 627 N VAL B 14 128.610 4.520 2.668 1.00 0.00 N ATOM 628 CA VAL B 14 128.269 3.242 3.211 1.00 0.00 C ATOM 629 C VAL B 14 126.861 2.951 2.774 1.00 0.00 C ATOM 630 O VAL B 14 126.112 3.878 2.464 1.00 0.00 O ATOM 631 CB VAL B 14 128.342 3.341 4.735 1.00 0.00 C ATOM 632 CG1 VAL B 14 128.959 2.125 5.386 1.00 0.00 C ATOM 633 CG2 VAL B 14 129.110 4.608 5.092 1.00 0.00 C ATOM 0 H VAL B 14 128.086 5.288 3.088 1.00 0.00 H new ATOM 0 HA VAL B 14 128.941 2.452 2.874 1.00 0.00 H new ATOM 0 HB VAL B 14 127.325 3.386 5.125 1.00 0.00 H new ATOM 0 HG11 VAL B 14 128.980 2.262 6.467 1.00 0.00 H new ATOM 0 HG12 VAL B 14 128.367 1.243 5.143 1.00 0.00 H new ATOM 0 HG13 VAL B 14 129.976 1.992 5.018 1.00 0.00 H new ATOM 0 HG21 VAL B 14 129.175 4.701 6.176 1.00 0.00 H new ATOM 0 HG22 VAL B 14 130.114 4.556 4.671 1.00 0.00 H new ATOM 0 HG23 VAL B 14 128.591 5.475 4.684 1.00 0.00 H new ATOM 643 N ARG B 15 126.483 1.698 2.721 1.00 0.00 N ATOM 644 CA ARG B 15 125.152 1.380 2.282 1.00 0.00 C ATOM 645 C ARG B 15 124.313 0.970 3.485 1.00 0.00 C ATOM 646 O ARG B 15 124.424 -0.136 4.014 1.00 0.00 O ATOM 647 CB ARG B 15 125.199 0.304 1.184 1.00 0.00 C ATOM 648 CG ARG B 15 124.368 0.545 -0.073 1.00 0.00 C ATOM 649 CD ARG B 15 123.105 1.329 0.154 1.00 0.00 C ATOM 650 NE ARG B 15 121.937 0.449 0.179 1.00 0.00 N ATOM 651 CZ ARG B 15 121.345 0.025 1.284 1.00 0.00 C ATOM 652 NH1 ARG B 15 121.638 0.573 2.446 1.00 0.00 N ATOM 653 NH2 ARG B 15 120.419 -0.916 1.229 1.00 0.00 N ATOM 0 H ARG B 15 127.065 0.899 2.971 1.00 0.00 H new ATOM 0 HA ARG B 15 124.678 2.254 1.836 1.00 0.00 H new ATOM 0 HB2 ARG B 15 126.238 0.177 0.881 1.00 0.00 H new ATOM 0 HB3 ARG B 15 124.878 -0.640 1.624 1.00 0.00 H new ATOM 0 HG2 ARG B 15 124.982 1.073 -0.803 1.00 0.00 H new ATOM 0 HG3 ARG B 15 124.108 -0.418 -0.512 1.00 0.00 H new ATOM 0 HD2 ARG B 15 123.175 1.873 1.096 1.00 0.00 H new ATOM 0 HD3 ARG B 15 122.988 2.072 -0.635 1.00 0.00 H new ATOM 0 HE ARG B 15 121.553 0.142 -0.715 1.00 0.00 H new ATOM 0 HH11 ARG B 15 122.323 1.327 2.496 1.00 0.00 H new ATOM 0 HH12 ARG B 15 121.179 0.243 3.295 1.00 0.00 H new ATOM 0 HH21 ARG B 15 120.156 -1.321 0.330 1.00 0.00 H new ATOM 0 HH22 ARG B 15 119.967 -1.238 2.085 1.00 0.00 H new ATOM 667 N LYS B 16 123.461 1.920 3.892 1.00 0.00 N ATOM 668 CA LYS B 16 122.553 1.755 5.025 1.00 0.00 C ATOM 669 C LYS B 16 121.149 2.261 4.692 1.00 0.00 C ATOM 670 O LYS B 16 120.983 3.425 4.326 1.00 0.00 O ATOM 671 CB LYS B 16 123.103 2.512 6.246 1.00 0.00 C ATOM 672 CG LYS B 16 122.074 3.359 6.991 1.00 0.00 C ATOM 673 CD LYS B 16 122.740 4.240 8.031 1.00 0.00 C ATOM 674 CE LYS B 16 121.770 4.645 9.126 1.00 0.00 C ATOM 675 NZ LYS B 16 121.631 6.126 9.226 1.00 0.00 N ATOM 0 H LYS B 16 123.385 2.830 3.438 1.00 0.00 H new ATOM 0 HA LYS B 16 122.484 0.691 5.252 1.00 0.00 H new ATOM 0 HB2 LYS B 16 123.530 1.790 6.941 1.00 0.00 H new ATOM 0 HB3 LYS B 16 123.917 3.159 5.918 1.00 0.00 H new ATOM 0 HG2 LYS B 16 121.527 3.979 6.281 1.00 0.00 H new ATOM 0 HG3 LYS B 16 121.345 2.709 7.474 1.00 0.00 H new ATOM 0 HD2 LYS B 16 123.585 3.710 8.471 1.00 0.00 H new ATOM 0 HD3 LYS B 16 123.140 5.133 7.550 1.00 0.00 H new ATOM 0 HE2 LYS B 16 120.794 4.201 8.929 1.00 0.00 H new ATOM 0 HE3 LYS B 16 122.114 4.247 10.081 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 120.960 6.361 9.985 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 122.557 6.548 9.439 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 121.278 6.503 8.323 1.00 0.00 H new ATOM 689 N ASP B 17 120.133 1.427 4.873 1.00 0.00 N ATOM 690 CA ASP B 17 118.759 1.862 4.649 1.00 0.00 C ATOM 691 C ASP B 17 118.533 2.397 3.235 1.00 0.00 C ATOM 692 O ASP B 17 117.899 3.436 3.050 1.00 0.00 O ATOM 693 CB ASP B 17 118.394 2.933 5.689 1.00 0.00 C ATOM 694 CG ASP B 17 117.264 2.487 6.592 1.00 0.00 C ATOM 695 OD1 ASP B 17 117.303 1.328 7.057 1.00 0.00 O ATOM 696 OD2 ASP B 17 116.341 3.292 6.834 1.00 0.00 O ATOM 0 H ASP B 17 120.231 0.456 5.171 1.00 0.00 H new ATOM 0 HA ASP B 17 118.112 0.992 4.759 1.00 0.00 H new ATOM 0 HB2 ASP B 17 119.271 3.165 6.294 1.00 0.00 H new ATOM 0 HB3 ASP B 17 118.108 3.852 5.177 1.00 0.00 H new ATOM 701 N GLY B 18 119.027 1.675 2.239 1.00 0.00 N ATOM 702 CA GLY B 18 118.848 2.073 0.856 1.00 0.00 C ATOM 703 C GLY B 18 119.466 3.413 0.508 1.00 0.00 C ATOM 704 O GLY B 18 119.120 3.999 -0.518 1.00 0.00 O ATOM 0 H GLY B 18 119.554 0.811 2.366 1.00 0.00 H new ATOM 0 HA2 GLY B 18 119.280 1.308 0.211 1.00 0.00 H new ATOM 0 HA3 GLY B 18 117.781 2.110 0.636 1.00 0.00 H new ATOM 708 N GLU B 19 120.355 3.928 1.355 1.00 0.00 N ATOM 709 CA GLU B 19 120.953 5.219 1.088 1.00 0.00 C ATOM 710 C GLU B 19 122.456 5.204 1.281 1.00 0.00 C ATOM 711 O GLU B 19 123.005 4.322 1.942 1.00 0.00 O ATOM 712 CB GLU B 19 120.331 6.238 2.026 1.00 0.00 C ATOM 713 CG GLU B 19 118.828 6.377 1.846 1.00 0.00 C ATOM 714 CD GLU B 19 118.167 7.126 2.986 1.00 0.00 C ATOM 715 OE1 GLU B 19 118.885 7.816 3.740 1.00 0.00 O ATOM 716 OE2 GLU B 19 116.930 7.022 3.125 1.00 0.00 O ATOM 0 H GLU B 19 120.668 3.476 2.214 1.00 0.00 H new ATOM 0 HA GLU B 19 120.764 5.477 0.046 1.00 0.00 H new ATOM 0 HB2 GLU B 19 120.542 5.951 3.056 1.00 0.00 H new ATOM 0 HB3 GLU B 19 120.801 7.208 1.863 1.00 0.00 H new ATOM 0 HG2 GLU B 19 118.625 6.897 0.910 1.00 0.00 H new ATOM 0 HG3 GLU B 19 118.383 5.385 1.763 1.00 0.00 H new ATOM 723 N TRP B 20 123.117 6.205 0.711 1.00 0.00 N ATOM 724 CA TRP B 20 124.552 6.325 0.832 1.00 0.00 C ATOM 725 C TRP B 20 124.904 7.262 1.964 1.00 0.00 C ATOM 726 O TRP B 20 124.621 8.460 1.915 1.00 0.00 O ATOM 727 CB TRP B 20 125.190 6.774 -0.484 1.00 0.00 C ATOM 728 CG TRP B 20 125.057 5.702 -1.510 1.00 0.00 C ATOM 729 CD1 TRP B 20 124.348 5.722 -2.681 1.00 0.00 C ATOM 730 CD2 TRP B 20 125.633 4.407 -1.409 1.00 0.00 C ATOM 731 NE1 TRP B 20 124.464 4.500 -3.311 1.00 0.00 N ATOM 732 CE2 TRP B 20 125.249 3.689 -2.548 1.00 0.00 C ATOM 733 CE3 TRP B 20 126.447 3.783 -0.459 1.00 0.00 C ATOM 734 CZ2 TRP B 20 125.646 2.388 -2.762 1.00 0.00 C ATOM 735 CZ3 TRP B 20 126.837 2.486 -0.678 1.00 0.00 C ATOM 736 CH2 TRP B 20 126.434 1.805 -1.826 1.00 0.00 C ATOM 0 H TRP B 20 122.675 6.942 0.162 1.00 0.00 H new ATOM 0 HA TRP B 20 124.959 5.340 1.063 1.00 0.00 H new ATOM 0 HB2 TRP B 20 124.710 7.687 -0.837 1.00 0.00 H new ATOM 0 HB3 TRP B 20 126.243 7.008 -0.326 1.00 0.00 H new ATOM 0 HD1 TRP B 20 123.785 6.565 -3.054 1.00 0.00 H new ATOM 0 HE1 TRP B 20 124.034 4.246 -4.200 1.00 0.00 H new ATOM 0 HE3 TRP B 20 126.762 4.311 0.429 1.00 0.00 H new ATOM 0 HZ2 TRP B 20 125.339 1.850 -3.647 1.00 0.00 H new ATOM 0 HZ3 TRP B 20 127.463 1.987 0.047 1.00 0.00 H new ATOM 0 HH2 TRP B 20 126.759 0.785 -1.973 1.00 0.00 H new ATOM 747 N VAL B 21 125.533 6.703 2.982 1.00 0.00 N ATOM 748 CA VAL B 21 125.940 7.481 4.136 1.00 0.00 C ATOM 749 C VAL B 21 127.425 7.668 4.118 1.00 0.00 C ATOM 750 O VAL B 21 128.182 6.765 3.791 1.00 0.00 O ATOM 751 CB VAL B 21 125.600 6.830 5.487 1.00 0.00 C ATOM 752 CG1 VAL B 21 125.786 7.841 6.610 1.00 0.00 C ATOM 753 CG2 VAL B 21 124.195 6.254 5.541 1.00 0.00 C ATOM 0 H VAL B 21 125.773 5.713 3.032 1.00 0.00 H new ATOM 0 HA VAL B 21 125.390 8.418 4.057 1.00 0.00 H new ATOM 0 HB VAL B 21 126.287 5.993 5.612 1.00 0.00 H new ATOM 0 HG11 VAL B 21 125.543 7.373 7.564 1.00 0.00 H new ATOM 0 HG12 VAL B 21 126.821 8.181 6.625 1.00 0.00 H new ATOM 0 HG13 VAL B 21 125.126 8.693 6.445 1.00 0.00 H new ATOM 0 HG21 VAL B 21 124.021 5.810 6.521 1.00 0.00 H new ATOM 0 HG22 VAL B 21 123.469 7.049 5.368 1.00 0.00 H new ATOM 0 HG23 VAL B 21 124.085 5.489 4.772 1.00 0.00 H new ATOM 763 N LEU B 22 127.823 8.848 4.478 1.00 0.00 N ATOM 764 CA LEU B 22 129.212 9.194 4.535 1.00 0.00 C ATOM 765 C LEU B 22 129.972 8.274 5.473 1.00 0.00 C ATOM 766 O LEU B 22 129.635 8.141 6.648 1.00 0.00 O ATOM 767 CB LEU B 22 129.321 10.622 4.975 1.00 0.00 C ATOM 768 CG LEU B 22 129.585 11.614 3.849 1.00 0.00 C ATOM 769 CD1 LEU B 22 130.048 12.925 4.415 1.00 0.00 C ATOM 770 CD2 LEU B 22 130.624 11.086 2.879 1.00 0.00 C ATOM 0 H LEU B 22 127.191 9.604 4.742 1.00 0.00 H new ATOM 0 HA LEU B 22 129.660 9.075 3.549 1.00 0.00 H new ATOM 0 HB2 LEU B 22 128.398 10.904 5.481 1.00 0.00 H new ATOM 0 HB3 LEU B 22 130.124 10.702 5.708 1.00 0.00 H new ATOM 0 HG LEU B 22 128.651 11.757 3.306 1.00 0.00 H new ATOM 0 HD11 LEU B 22 130.234 13.627 3.602 1.00 0.00 H new ATOM 0 HD12 LEU B 22 129.279 13.328 5.074 1.00 0.00 H new ATOM 0 HD13 LEU B 22 130.967 12.773 4.980 1.00 0.00 H new ATOM 0 HD21 LEU B 22 130.789 11.818 2.088 1.00 0.00 H new ATOM 0 HD22 LEU B 22 131.560 10.908 3.409 1.00 0.00 H new ATOM 0 HD23 LEU B 22 130.272 10.152 2.441 1.00 0.00 H new ATOM 782 N LEU B 23 131.004 7.655 4.939 1.00 0.00 N ATOM 783 CA LEU B 23 131.843 6.752 5.704 1.00 0.00 C ATOM 784 C LEU B 23 132.467 7.448 6.894 1.00 0.00 C ATOM 785 O LEU B 23 132.605 6.866 7.970 1.00 0.00 O ATOM 786 CB LEU B 23 132.953 6.240 4.821 1.00 0.00 C ATOM 787 CG LEU B 23 134.075 5.489 5.551 1.00 0.00 C ATOM 788 CD1 LEU B 23 133.570 4.246 6.254 1.00 0.00 C ATOM 789 CD2 LEU B 23 135.184 5.124 4.596 1.00 0.00 C ATOM 0 H LEU B 23 131.286 7.762 3.965 1.00 0.00 H new ATOM 0 HA LEU B 23 131.216 5.936 6.063 1.00 0.00 H new ATOM 0 HB2 LEU B 23 132.522 5.577 4.071 1.00 0.00 H new ATOM 0 HB3 LEU B 23 133.390 7.084 4.287 1.00 0.00 H new ATOM 0 HG LEU B 23 134.464 6.166 6.312 1.00 0.00 H new ATOM 0 HD11 LEU B 23 134.400 3.749 6.756 1.00 0.00 H new ATOM 0 HD12 LEU B 23 132.816 4.525 6.990 1.00 0.00 H new ATOM 0 HD13 LEU B 23 133.130 3.568 5.523 1.00 0.00 H new ATOM 0 HD21 LEU B 23 135.968 4.593 5.135 1.00 0.00 H new ATOM 0 HD22 LEU B 23 134.789 4.484 3.807 1.00 0.00 H new ATOM 0 HD23 LEU B 23 135.598 6.031 4.155 1.00 0.00 H new ATOM 801 N SER B 24 132.887 8.683 6.682 1.00 0.00 N ATOM 802 CA SER B 24 133.553 9.451 7.727 1.00 0.00 C ATOM 803 C SER B 24 132.625 9.680 8.906 1.00 0.00 C ATOM 804 O SER B 24 133.086 9.933 10.020 1.00 0.00 O ATOM 805 CB SER B 24 134.029 10.797 7.176 1.00 0.00 C ATOM 806 OG SER B 24 135.021 10.619 6.180 1.00 0.00 O ATOM 0 H SER B 24 132.780 9.178 5.797 1.00 0.00 H new ATOM 0 HA SER B 24 134.415 8.878 8.069 1.00 0.00 H new ATOM 0 HB2 SER B 24 133.183 11.342 6.757 1.00 0.00 H new ATOM 0 HB3 SER B 24 134.429 11.405 7.988 1.00 0.00 H new ATOM 0 HG SER B 24 135.307 11.494 5.843 1.00 0.00 H new ATOM 812 N THR B 25 131.326 9.521 8.690 1.00 0.00 N ATOM 813 CA THR B 25 130.400 9.648 9.798 1.00 0.00 C ATOM 814 C THR B 25 130.633 8.468 10.740 1.00 0.00 C ATOM 815 O THR B 25 130.213 8.478 11.897 1.00 0.00 O ATOM 816 CB THR B 25 128.941 9.681 9.318 1.00 0.00 C ATOM 817 OG1 THR B 25 128.567 11.004 8.961 1.00 0.00 O ATOM 818 CG2 THR B 25 127.939 9.174 10.343 1.00 0.00 C ATOM 0 H THR B 25 130.903 9.310 7.786 1.00 0.00 H new ATOM 0 HA THR B 25 130.578 10.591 10.315 1.00 0.00 H new ATOM 0 HB THR B 25 128.909 9.009 8.461 1.00 0.00 H new ATOM 0 HG1 THR B 25 127.636 11.010 8.656 1.00 0.00 H new ATOM 0 HG21 THR B 25 126.933 9.230 9.927 1.00 0.00 H new ATOM 0 HG22 THR B 25 128.170 8.139 10.596 1.00 0.00 H new ATOM 0 HG23 THR B 25 127.995 9.789 11.241 1.00 0.00 H new ATOM 826 N PHE B 26 131.304 7.439 10.206 1.00 0.00 N ATOM 827 CA PHE B 26 131.602 6.230 10.946 1.00 0.00 C ATOM 828 C PHE B 26 133.054 6.184 11.419 1.00 0.00 C ATOM 829 O PHE B 26 133.380 5.419 12.315 1.00 0.00 O ATOM 830 CB PHE B 26 131.305 5.008 10.069 1.00 0.00 C ATOM 831 CG PHE B 26 129.839 4.882 9.716 1.00 0.00 C ATOM 832 CD1 PHE B 26 129.299 5.579 8.643 1.00 0.00 C ATOM 833 CD2 PHE B 26 129.000 4.069 10.466 1.00 0.00 C ATOM 834 CE1 PHE B 26 127.951 5.468 8.329 1.00 0.00 C ATOM 835 CE2 PHE B 26 127.657 3.953 10.156 1.00 0.00 C ATOM 836 CZ PHE B 26 127.130 4.653 9.088 1.00 0.00 C ATOM 0 H PHE B 26 131.651 7.432 9.247 1.00 0.00 H new ATOM 0 HA PHE B 26 130.970 6.221 11.834 1.00 0.00 H new ATOM 0 HB2 PHE B 26 131.890 5.074 9.152 1.00 0.00 H new ATOM 0 HB3 PHE B 26 131.628 4.106 10.589 1.00 0.00 H new ATOM 0 HD1 PHE B 26 129.935 6.215 8.046 1.00 0.00 H new ATOM 0 HD2 PHE B 26 129.402 3.519 11.304 1.00 0.00 H new ATOM 0 HE1 PHE B 26 127.544 6.017 7.493 1.00 0.00 H new ATOM 0 HE2 PHE B 26 127.020 3.314 10.750 1.00 0.00 H new ATOM 0 HZ PHE B 26 126.081 4.564 8.846 1.00 0.00 H new ATOM 846 N LEU B 27 133.935 7.017 10.871 1.00 0.00 N ATOM 847 CA LEU B 27 135.327 7.005 11.313 1.00 0.00 C ATOM 848 C LEU B 27 135.623 8.194 12.221 1.00 0.00 C ATOM 849 O LEU B 27 136.263 7.988 13.274 1.00 0.00 O ATOM 850 CB LEU B 27 136.282 7.012 10.113 1.00 0.00 C ATOM 851 CG LEU B 27 135.801 6.230 8.882 1.00 0.00 C ATOM 852 CD1 LEU B 27 136.793 6.339 7.746 1.00 0.00 C ATOM 853 CD2 LEU B 27 135.604 4.761 9.190 1.00 0.00 C ATOM 854 OXT LEU B 27 135.215 9.321 11.870 1.00 0.00 O ATOM 0 H LEU B 27 133.718 7.693 10.138 1.00 0.00 H new ATOM 0 HA LEU B 27 135.485 6.088 11.880 1.00 0.00 H new ATOM 0 HB2 LEU B 27 136.460 8.046 9.818 1.00 0.00 H new ATOM 0 HB3 LEU B 27 137.240 6.602 10.431 1.00 0.00 H new ATOM 0 HG LEU B 27 134.847 6.672 8.594 1.00 0.00 H new ATOM 0 HD11 LEU B 27 136.427 5.776 6.888 1.00 0.00 H new ATOM 0 HD12 LEU B 27 136.914 7.386 7.468 1.00 0.00 H new ATOM 0 HD13 LEU B 27 137.754 5.934 8.062 1.00 0.00 H new ATOM 0 HD21 LEU B 27 135.263 4.244 8.293 1.00 0.00 H new ATOM 0 HD22 LEU B 27 136.548 4.329 9.522 1.00 0.00 H new ATOM 0 HD23 LEU B 27 134.858 4.651 9.977 1.00 0.00 H new ATOM 867 N GLY C 1 121.842 4.285 -13.413 1.00 0.00 N ATOM 868 CA GLY C 1 121.547 4.930 -12.104 1.00 0.00 C ATOM 869 C GLY C 1 122.140 4.173 -10.935 1.00 0.00 C ATOM 870 O GLY C 1 122.390 4.749 -9.876 1.00 0.00 O ATOM 0 H1 GLY C 1 121.533 4.909 -14.185 1.00 0.00 H new ATOM 0 H2 GLY C 1 122.865 4.115 -13.493 1.00 0.00 H new ATOM 0 H3 GLY C 1 121.334 3.379 -13.476 1.00 0.00 H new ATOM 0 HA2 GLY C 1 121.937 5.948 -12.109 1.00 0.00 H new ATOM 0 HA3 GLY C 1 120.467 5.003 -11.974 1.00 0.00 H new ATOM 876 N TYR C 2 122.363 2.877 -11.124 1.00 0.00 N ATOM 877 CA TYR C 2 122.930 2.042 -10.068 1.00 0.00 C ATOM 878 C TYR C 2 124.442 1.897 -10.226 1.00 0.00 C ATOM 879 O TYR C 2 124.994 2.146 -11.297 1.00 0.00 O ATOM 880 CB TYR C 2 122.277 0.662 -10.040 1.00 0.00 C ATOM 881 CG TYR C 2 120.808 0.646 -9.661 1.00 0.00 C ATOM 882 CD1 TYR C 2 120.063 1.816 -9.544 1.00 0.00 C ATOM 883 CD2 TYR C 2 120.166 -0.560 -9.424 1.00 0.00 C ATOM 884 CE1 TYR C 2 118.723 1.777 -9.202 1.00 0.00 C ATOM 885 CE2 TYR C 2 118.829 -0.608 -9.084 1.00 0.00 C ATOM 886 CZ TYR C 2 118.112 0.563 -8.974 1.00 0.00 C ATOM 887 OH TYR C 2 116.779 0.520 -8.634 1.00 0.00 O ATOM 0 H TYR C 2 122.162 2.383 -11.993 1.00 0.00 H new ATOM 0 HA TYR C 2 122.726 2.542 -9.121 1.00 0.00 H new ATOM 0 HB2 TYR C 2 122.386 0.207 -11.024 1.00 0.00 H new ATOM 0 HB3 TYR C 2 122.823 0.034 -9.336 1.00 0.00 H new ATOM 0 HD1 TYR C 2 120.538 2.769 -9.723 1.00 0.00 H new ATOM 0 HD2 TYR C 2 120.724 -1.481 -9.507 1.00 0.00 H new ATOM 0 HE1 TYR C 2 118.159 2.694 -9.114 1.00 0.00 H new ATOM 0 HE2 TYR C 2 118.348 -1.558 -8.905 1.00 0.00 H new ATOM 0 HH TYR C 2 116.503 -0.412 -8.509 1.00 0.00 H new ATOM 897 N ILE C 3 125.103 1.491 -9.144 1.00 0.00 N ATOM 898 CA ILE C 3 126.555 1.307 -9.144 1.00 0.00 C ATOM 899 C ILE C 3 126.965 -0.077 -9.595 1.00 0.00 C ATOM 900 O ILE C 3 126.199 -1.032 -9.484 1.00 0.00 O ATOM 901 CB ILE C 3 127.186 1.476 -7.761 1.00 0.00 C ATOM 902 CG1 ILE C 3 126.338 0.818 -6.678 1.00 0.00 C ATOM 903 CG2 ILE C 3 127.440 2.928 -7.431 1.00 0.00 C ATOM 904 CD1 ILE C 3 126.875 1.043 -5.286 1.00 0.00 C ATOM 0 H ILE C 3 124.655 1.282 -8.252 1.00 0.00 H new ATOM 0 HA ILE C 3 126.905 2.077 -9.831 1.00 0.00 H new ATOM 0 HB ILE C 3 128.151 0.971 -7.791 1.00 0.00 H new ATOM 0 HG12 ILE C 3 125.321 1.206 -6.736 1.00 0.00 H new ATOM 0 HG13 ILE C 3 126.282 -0.253 -6.870 1.00 0.00 H new ATOM 0 HG21 ILE C 3 127.889 3.003 -6.440 1.00 0.00 H new ATOM 0 HG22 ILE C 3 128.118 3.356 -8.170 1.00 0.00 H new ATOM 0 HG23 ILE C 3 126.497 3.475 -7.445 1.00 0.00 H new ATOM 0 HD11 ILE C 3 126.227 0.550 -4.562 1.00 0.00 H new ATOM 0 HD12 ILE C 3 127.881 0.630 -5.213 1.00 0.00 H new ATOM 0 HD13 ILE C 3 126.906 2.112 -5.076 1.00 0.00 H new ATOM 916 N PRO C 4 128.215 -0.213 -10.062 1.00 0.00 N ATOM 917 CA PRO C 4 128.756 -1.479 -10.472 1.00 0.00 C ATOM 918 C PRO C 4 129.427 -2.200 -9.306 1.00 0.00 C ATOM 919 O PRO C 4 129.965 -1.577 -8.396 1.00 0.00 O ATOM 920 CB PRO C 4 129.750 -1.100 -11.568 1.00 0.00 C ATOM 921 CG PRO C 4 130.113 0.338 -11.305 1.00 0.00 C ATOM 922 CD PRO C 4 129.218 0.844 -10.191 1.00 0.00 C ATOM 0 HA PRO C 4 127.997 -2.178 -10.825 1.00 0.00 H new ATOM 0 HB2 PRO C 4 130.632 -1.739 -11.535 1.00 0.00 H new ATOM 0 HB3 PRO C 4 129.307 -1.218 -12.557 1.00 0.00 H new ATOM 0 HG2 PRO C 4 131.162 0.422 -11.020 1.00 0.00 H new ATOM 0 HG3 PRO C 4 129.978 0.937 -12.206 1.00 0.00 H new ATOM 0 HD2 PRO C 4 129.772 0.989 -9.264 1.00 0.00 H new ATOM 0 HD3 PRO C 4 128.763 1.802 -10.443 1.00 0.00 H new ATOM 930 N GLU C 5 129.322 -3.524 -9.333 1.00 0.00 N ATOM 931 CA GLU C 5 129.834 -4.391 -8.285 1.00 0.00 C ATOM 932 C GLU C 5 131.328 -4.237 -8.022 1.00 0.00 C ATOM 933 O GLU C 5 132.143 -4.094 -8.933 1.00 0.00 O ATOM 934 CB GLU C 5 129.505 -5.846 -8.632 1.00 0.00 C ATOM 935 CG GLU C 5 130.235 -6.877 -7.783 1.00 0.00 C ATOM 936 CD GLU C 5 129.386 -7.437 -6.658 1.00 0.00 C ATOM 937 OE1 GLU C 5 128.375 -8.109 -6.954 1.00 0.00 O ATOM 938 OE2 GLU C 5 129.735 -7.203 -5.478 1.00 0.00 O ATOM 0 H GLU C 5 128.872 -4.030 -10.096 1.00 0.00 H new ATOM 0 HA GLU C 5 129.342 -4.090 -7.360 1.00 0.00 H new ATOM 0 HB2 GLU C 5 128.431 -5.999 -8.523 1.00 0.00 H new ATOM 0 HB3 GLU C 5 129.747 -6.020 -9.680 1.00 0.00 H new ATOM 0 HG2 GLU C 5 130.565 -7.696 -8.422 1.00 0.00 H new ATOM 0 HG3 GLU C 5 131.131 -6.421 -7.361 1.00 0.00 H new ATOM 945 N ALA C 6 131.651 -4.317 -6.736 1.00 0.00 N ATOM 946 CA ALA C 6 133.018 -4.241 -6.240 1.00 0.00 C ATOM 947 C ALA C 6 133.695 -5.611 -6.320 1.00 0.00 C ATOM 948 O ALA C 6 133.024 -6.642 -6.347 1.00 0.00 O ATOM 949 CB ALA C 6 133.026 -3.746 -4.797 1.00 0.00 C ATOM 0 H ALA C 6 130.958 -4.438 -5.998 1.00 0.00 H new ATOM 0 HA ALA C 6 133.572 -3.539 -6.863 1.00 0.00 H new ATOM 0 HB1 ALA C 6 134.053 -3.693 -4.436 1.00 0.00 H new ATOM 0 HB2 ALA C 6 132.573 -2.756 -4.750 1.00 0.00 H new ATOM 0 HB3 ALA C 6 132.457 -4.435 -4.173 1.00 0.00 H new ATOM 955 N PRO C 7 135.036 -5.641 -6.350 1.00 0.00 N ATOM 956 CA PRO C 7 135.799 -6.894 -6.417 1.00 0.00 C ATOM 957 C PRO C 7 135.371 -7.905 -5.353 1.00 0.00 C ATOM 958 O PRO C 7 134.878 -7.528 -4.291 1.00 0.00 O ATOM 959 CB PRO C 7 137.238 -6.446 -6.153 1.00 0.00 C ATOM 960 CG PRO C 7 137.284 -5.014 -6.565 1.00 0.00 C ATOM 961 CD PRO C 7 135.912 -4.455 -6.308 1.00 0.00 C ATOM 0 HA PRO C 7 135.652 -7.400 -7.371 1.00 0.00 H new ATOM 0 HB2 PRO C 7 137.500 -6.562 -5.101 1.00 0.00 H new ATOM 0 HB3 PRO C 7 137.948 -7.043 -6.725 1.00 0.00 H new ATOM 0 HG2 PRO C 7 138.038 -4.470 -5.996 1.00 0.00 H new ATOM 0 HG3 PRO C 7 137.551 -4.921 -7.618 1.00 0.00 H new ATOM 0 HD2 PRO C 7 135.859 -3.952 -5.342 1.00 0.00 H new ATOM 0 HD3 PRO C 7 135.630 -3.722 -7.064 1.00 0.00 H new ATOM 969 N ARG C 8 135.569 -9.192 -5.643 1.00 0.00 N ATOM 970 CA ARG C 8 135.213 -10.260 -4.711 1.00 0.00 C ATOM 971 C ARG C 8 136.462 -10.937 -4.169 1.00 0.00 C ATOM 972 O ARG C 8 136.691 -12.128 -4.388 1.00 0.00 O ATOM 973 CB ARG C 8 134.336 -11.293 -5.387 1.00 0.00 C ATOM 974 CG ARG C 8 132.847 -10.997 -5.296 1.00 0.00 C ATOM 975 CD ARG C 8 132.393 -10.038 -6.382 1.00 0.00 C ATOM 976 NE ARG C 8 130.998 -10.265 -6.764 1.00 0.00 N ATOM 977 CZ ARG C 8 130.610 -10.722 -7.955 1.00 0.00 C ATOM 978 NH1 ARG C 8 131.503 -11.021 -8.891 1.00 0.00 N ATOM 979 NH2 ARG C 8 129.319 -10.885 -8.208 1.00 0.00 N ATOM 0 H ARG C 8 135.975 -9.519 -6.519 1.00 0.00 H new ATOM 0 HA ARG C 8 134.662 -9.810 -3.885 1.00 0.00 H new ATOM 0 HB2 ARG C 8 134.618 -11.363 -6.437 1.00 0.00 H new ATOM 0 HB3 ARG C 8 134.530 -12.268 -4.940 1.00 0.00 H new ATOM 0 HG2 ARG C 8 132.286 -11.928 -5.376 1.00 0.00 H new ATOM 0 HG3 ARG C 8 132.620 -10.572 -4.318 1.00 0.00 H new ATOM 0 HD2 ARG C 8 132.511 -9.012 -6.033 1.00 0.00 H new ATOM 0 HD3 ARG C 8 133.032 -10.152 -7.257 1.00 0.00 H new ATOM 0 HE ARG C 8 130.276 -10.060 -6.074 1.00 0.00 H new ATOM 0 HH11 ARG C 8 132.498 -10.902 -8.703 1.00 0.00 H new ATOM 0 HH12 ARG C 8 131.194 -11.370 -9.798 1.00 0.00 H new ATOM 0 HH21 ARG C 8 128.627 -10.661 -7.493 1.00 0.00 H new ATOM 0 HH22 ARG C 8 129.018 -11.234 -9.118 1.00 0.00 H new ATOM 993 N ASP C 9 137.261 -10.167 -3.456 1.00 0.00 N ATOM 994 CA ASP C 9 138.492 -10.673 -2.867 1.00 0.00 C ATOM 995 C ASP C 9 138.366 -10.807 -1.351 1.00 0.00 C ATOM 996 O ASP C 9 139.368 -10.967 -0.653 1.00 0.00 O ATOM 997 CB ASP C 9 139.660 -9.739 -3.178 1.00 0.00 C ATOM 998 CG ASP C 9 139.428 -8.333 -2.662 1.00 0.00 C ATOM 999 OD1 ASP C 9 138.267 -7.872 -2.696 1.00 0.00 O ATOM 1000 OD2 ASP C 9 140.406 -7.692 -2.224 1.00 0.00 O ATOM 0 H ASP C 9 137.080 -9.181 -3.268 1.00 0.00 H new ATOM 0 HA ASP C 9 138.677 -11.656 -3.301 1.00 0.00 H new ATOM 0 HB2 ASP C 9 140.571 -10.140 -2.734 1.00 0.00 H new ATOM 0 HB3 ASP C 9 139.818 -9.706 -4.256 1.00 0.00 H new ATOM 1005 N GLY C 10 137.142 -10.738 -0.842 1.00 0.00 N ATOM 1006 CA GLY C 10 136.935 -10.852 0.590 1.00 0.00 C ATOM 1007 C GLY C 10 137.231 -9.560 1.320 1.00 0.00 C ATOM 1008 O GLY C 10 137.274 -9.533 2.549 1.00 0.00 O ATOM 0 H GLY C 10 136.293 -10.606 -1.391 1.00 0.00 H new ATOM 0 HA2 GLY C 10 135.904 -11.147 0.783 1.00 0.00 H new ATOM 0 HA3 GLY C 10 137.572 -11.643 0.985 1.00 0.00 H new ATOM 1012 N GLN C 11 137.421 -8.482 0.567 1.00 0.00 N ATOM 1013 CA GLN C 11 137.695 -7.186 1.164 1.00 0.00 C ATOM 1014 C GLN C 11 136.476 -6.304 1.040 1.00 0.00 C ATOM 1015 O GLN C 11 135.669 -6.460 0.125 1.00 0.00 O ATOM 1016 CB GLN C 11 138.869 -6.499 0.493 1.00 0.00 C ATOM 1017 CG GLN C 11 140.173 -6.423 1.309 1.00 0.00 C ATOM 1018 CD GLN C 11 140.081 -6.924 2.747 1.00 0.00 C ATOM 1019 OE1 GLN C 11 140.479 -8.051 3.041 1.00 0.00 O ATOM 1020 NE2 GLN C 11 139.565 -6.099 3.649 1.00 0.00 N ATOM 0 H GLN C 11 137.390 -8.482 -0.453 1.00 0.00 H new ATOM 0 HA GLN C 11 137.944 -7.349 2.213 1.00 0.00 H new ATOM 0 HB2 GLN C 11 139.080 -7.018 -0.442 1.00 0.00 H new ATOM 0 HB3 GLN C 11 138.568 -5.484 0.233 1.00 0.00 H new ATOM 0 HG2 GLN C 11 140.939 -7.000 0.791 1.00 0.00 H new ATOM 0 HG3 GLN C 11 140.511 -5.387 1.325 1.00 0.00 H new ATOM 0 HE21 GLN C 11 139.245 -5.172 3.368 1.00 0.00 H new ATOM 0 HE22 GLN C 11 139.488 -6.392 4.623 1.00 0.00 H new ATOM 1029 N ALA C 12 136.355 -5.387 1.971 1.00 0.00 N ATOM 1030 CA ALA C 12 135.235 -4.465 2.016 1.00 0.00 C ATOM 1031 C ALA C 12 135.534 -3.166 1.306 1.00 0.00 C ATOM 1032 O ALA C 12 136.623 -2.603 1.420 1.00 0.00 O ATOM 1033 CB ALA C 12 134.833 -4.210 3.453 1.00 0.00 C ATOM 0 H ALA C 12 137.031 -5.256 2.723 1.00 0.00 H new ATOM 0 HA ALA C 12 134.403 -4.930 1.487 1.00 0.00 H new ATOM 0 HB1 ALA C 12 133.992 -3.517 3.478 1.00 0.00 H new ATOM 0 HB2 ALA C 12 134.543 -5.150 3.922 1.00 0.00 H new ATOM 0 HB3 ALA C 12 135.675 -3.779 3.995 1.00 0.00 H new ATOM 1039 N TYR C 13 134.547 -2.710 0.567 1.00 0.00 N ATOM 1040 CA TYR C 13 134.654 -1.485 -0.192 1.00 0.00 C ATOM 1041 C TYR C 13 133.629 -0.473 0.253 1.00 0.00 C ATOM 1042 O TYR C 13 132.544 -0.799 0.732 1.00 0.00 O ATOM 1043 CB TYR C 13 134.458 -1.770 -1.660 1.00 0.00 C ATOM 1044 CG TYR C 13 135.637 -2.471 -2.241 1.00 0.00 C ATOM 1045 CD1 TYR C 13 136.806 -1.790 -2.452 1.00 0.00 C ATOM 1046 CD2 TYR C 13 135.587 -3.807 -2.539 1.00 0.00 C ATOM 1047 CE1 TYR C 13 137.914 -2.420 -2.951 1.00 0.00 C ATOM 1048 CE2 TYR C 13 136.691 -4.464 -3.040 1.00 0.00 C ATOM 1049 CZ TYR C 13 137.859 -3.764 -3.244 1.00 0.00 C ATOM 1050 OH TYR C 13 138.969 -4.406 -3.743 1.00 0.00 O ATOM 0 H TYR C 13 133.646 -3.180 0.476 1.00 0.00 H new ATOM 0 HA TYR C 13 135.649 -1.074 -0.020 1.00 0.00 H new ATOM 0 HB2 TYR C 13 133.566 -2.381 -1.797 1.00 0.00 H new ATOM 0 HB3 TYR C 13 134.289 -0.835 -2.194 1.00 0.00 H new ATOM 0 HD1 TYR C 13 136.855 -0.736 -2.220 1.00 0.00 H new ATOM 0 HD2 TYR C 13 134.669 -4.354 -2.379 1.00 0.00 H new ATOM 0 HE1 TYR C 13 138.826 -1.866 -3.114 1.00 0.00 H new ATOM 0 HE2 TYR C 13 136.640 -5.518 -3.270 1.00 0.00 H new ATOM 0 HH TYR C 13 138.845 -5.376 -3.673 1.00 0.00 H new ATOM 1060 N VAL C 14 134.003 0.753 0.052 1.00 0.00 N ATOM 1061 CA VAL C 14 133.197 1.902 0.368 1.00 0.00 C ATOM 1062 C VAL C 14 132.815 2.504 -0.963 1.00 0.00 C ATOM 1063 O VAL C 14 133.524 2.291 -1.947 1.00 0.00 O ATOM 1064 CB VAL C 14 134.053 2.875 1.210 1.00 0.00 C ATOM 1065 CG1 VAL C 14 133.309 3.502 2.377 1.00 0.00 C ATOM 1066 CG2 VAL C 14 135.286 2.131 1.714 1.00 0.00 C ATOM 0 H VAL C 14 134.909 0.994 -0.350 1.00 0.00 H new ATOM 0 HA VAL C 14 132.304 1.664 0.945 1.00 0.00 H new ATOM 0 HB VAL C 14 134.330 3.704 0.559 1.00 0.00 H new ATOM 0 HG11 VAL C 14 133.978 4.171 2.918 1.00 0.00 H new ATOM 0 HG12 VAL C 14 132.455 4.067 2.003 1.00 0.00 H new ATOM 0 HG13 VAL C 14 132.959 2.718 3.049 1.00 0.00 H new ATOM 0 HG21 VAL C 14 135.900 2.806 2.310 1.00 0.00 H new ATOM 0 HG22 VAL C 14 134.975 1.286 2.328 1.00 0.00 H new ATOM 0 HG23 VAL C 14 135.865 1.769 0.864 1.00 0.00 H new ATOM 1076 N ARG C 15 131.707 3.214 -1.044 1.00 0.00 N ATOM 1077 CA ARG C 15 131.322 3.751 -2.331 1.00 0.00 C ATOM 1078 C ARG C 15 131.612 5.244 -2.351 1.00 0.00 C ATOM 1079 O ARG C 15 130.925 6.056 -1.732 1.00 0.00 O ATOM 1080 CB ARG C 15 129.834 3.404 -2.611 1.00 0.00 C ATOM 1081 CG ARG C 15 129.484 2.914 -4.023 1.00 0.00 C ATOM 1082 CD ARG C 15 130.696 2.814 -4.935 1.00 0.00 C ATOM 1083 NE ARG C 15 130.348 2.747 -6.350 1.00 0.00 N ATOM 1084 CZ ARG C 15 130.257 3.808 -7.141 1.00 0.00 C ATOM 1085 NH1 ARG C 15 130.222 5.028 -6.613 1.00 0.00 N ATOM 1086 NH2 ARG C 15 130.149 3.631 -8.452 1.00 0.00 N ATOM 0 H ARG C 15 131.080 3.426 -0.268 1.00 0.00 H new ATOM 0 HA ARG C 15 131.902 3.303 -3.137 1.00 0.00 H new ATOM 0 HB2 ARG C 15 129.526 2.637 -1.901 1.00 0.00 H new ATOM 0 HB3 ARG C 15 129.235 4.290 -2.402 1.00 0.00 H new ATOM 0 HG2 ARG C 15 129.006 1.937 -3.954 1.00 0.00 H new ATOM 0 HG3 ARG C 15 128.757 3.594 -4.468 1.00 0.00 H new ATOM 0 HD2 ARG C 15 131.341 3.676 -4.767 1.00 0.00 H new ATOM 0 HD3 ARG C 15 131.272 1.928 -4.667 1.00 0.00 H new ATOM 0 HE ARG C 15 130.164 1.829 -6.755 1.00 0.00 H new ATOM 0 HH11 ARG C 15 130.265 5.147 -5.601 1.00 0.00 H new ATOM 0 HH12 ARG C 15 130.152 5.845 -7.220 1.00 0.00 H new ATOM 0 HH21 ARG C 15 130.137 2.688 -8.840 1.00 0.00 H new ATOM 0 HH22 ARG C 15 130.078 4.438 -9.071 1.00 0.00 H new ATOM 1100 N LYS C 16 132.679 5.562 -3.097 1.00 0.00 N ATOM 1101 CA LYS C 16 133.166 6.923 -3.270 1.00 0.00 C ATOM 1102 C LYS C 16 133.556 7.204 -4.716 1.00 0.00 C ATOM 1103 O LYS C 16 134.292 6.429 -5.323 1.00 0.00 O ATOM 1104 CB LYS C 16 134.364 7.161 -2.349 1.00 0.00 C ATOM 1105 CG LYS C 16 135.591 7.767 -3.018 1.00 0.00 C ATOM 1106 CD LYS C 16 136.731 7.866 -2.006 1.00 0.00 C ATOM 1107 CE LYS C 16 137.883 8.725 -2.495 1.00 0.00 C ATOM 1108 NZ LYS C 16 139.109 7.921 -2.755 1.00 0.00 N ATOM 0 H LYS C 16 133.230 4.867 -3.601 1.00 0.00 H new ATOM 0 HA LYS C 16 132.358 7.606 -3.008 1.00 0.00 H new ATOM 0 HB2 LYS C 16 134.052 7.818 -1.537 1.00 0.00 H new ATOM 0 HB3 LYS C 16 134.649 6.210 -1.898 1.00 0.00 H new ATOM 0 HG2 LYS C 16 135.896 7.153 -3.865 1.00 0.00 H new ATOM 0 HG3 LYS C 16 135.353 8.756 -3.410 1.00 0.00 H new ATOM 0 HD2 LYS C 16 136.347 8.279 -1.073 1.00 0.00 H new ATOM 0 HD3 LYS C 16 137.100 6.865 -1.783 1.00 0.00 H new ATOM 0 HE2 LYS C 16 137.588 9.241 -3.409 1.00 0.00 H new ATOM 0 HE3 LYS C 16 138.103 9.492 -1.753 1.00 0.00 H new ATOM 0 HZ1 LYS C 16 139.871 8.547 -3.087 1.00 0.00 H new ATOM 0 HZ2 LYS C 16 139.407 7.449 -1.878 1.00 0.00 H new ATOM 0 HZ3 LYS C 16 138.907 7.205 -3.482 1.00 0.00 H new ATOM 1122 N ASP C 17 133.115 8.331 -5.243 1.00 0.00 N ATOM 1123 CA ASP C 17 133.472 8.762 -6.590 1.00 0.00 C ATOM 1124 C ASP C 17 133.345 7.665 -7.646 1.00 0.00 C ATOM 1125 O ASP C 17 134.226 7.508 -8.492 1.00 0.00 O ATOM 1126 CB ASP C 17 134.893 9.360 -6.619 1.00 0.00 C ATOM 1127 CG ASP C 17 135.877 8.770 -5.654 1.00 0.00 C ATOM 1128 OD1 ASP C 17 136.173 7.564 -5.769 1.00 0.00 O ATOM 1129 OD2 ASP C 17 136.397 9.528 -4.817 1.00 0.00 O ATOM 0 H ASP C 17 132.498 8.978 -4.752 1.00 0.00 H new ATOM 0 HA ASP C 17 132.744 9.529 -6.852 1.00 0.00 H new ATOM 0 HB2 ASP C 17 135.292 9.248 -7.627 1.00 0.00 H new ATOM 0 HB3 ASP C 17 134.819 10.430 -6.423 1.00 0.00 H new ATOM 1134 N GLY C 18 132.238 6.942 -7.632 1.00 0.00 N ATOM 1135 CA GLY C 18 132.014 5.916 -8.633 1.00 0.00 C ATOM 1136 C GLY C 18 132.905 4.690 -8.518 1.00 0.00 C ATOM 1137 O GLY C 18 132.942 3.882 -9.446 1.00 0.00 O ATOM 0 H GLY C 18 131.489 7.045 -6.947 1.00 0.00 H new ATOM 0 HA2 GLY C 18 130.974 5.595 -8.574 1.00 0.00 H new ATOM 0 HA3 GLY C 18 132.157 6.357 -9.620 1.00 0.00 H new ATOM 1141 N GLU C 19 133.651 4.537 -7.422 1.00 0.00 N ATOM 1142 CA GLU C 19 134.537 3.386 -7.311 1.00 0.00 C ATOM 1143 C GLU C 19 134.453 2.725 -5.955 1.00 0.00 C ATOM 1144 O GLU C 19 134.036 3.336 -4.971 1.00 0.00 O ATOM 1145 CB GLU C 19 135.983 3.813 -7.560 1.00 0.00 C ATOM 1146 CG GLU C 19 136.166 4.720 -8.769 1.00 0.00 C ATOM 1147 CD GLU C 19 137.033 5.927 -8.465 1.00 0.00 C ATOM 1148 OE1 GLU C 19 137.935 5.810 -7.608 1.00 0.00 O ATOM 1149 OE2 GLU C 19 136.809 6.989 -9.082 1.00 0.00 O ATOM 0 H GLU C 19 133.659 5.174 -6.625 1.00 0.00 H new ATOM 0 HA GLU C 19 134.215 2.665 -8.062 1.00 0.00 H new ATOM 0 HB2 GLU C 19 136.356 4.327 -6.674 1.00 0.00 H new ATOM 0 HB3 GLU C 19 136.596 2.921 -7.693 1.00 0.00 H new ATOM 0 HG2 GLU C 19 136.615 4.150 -9.582 1.00 0.00 H new ATOM 0 HG3 GLU C 19 135.190 5.057 -9.117 1.00 0.00 H new ATOM 1156 N TRP C 20 134.897 1.477 -5.905 1.00 0.00 N ATOM 1157 CA TRP C 20 134.916 0.743 -4.664 1.00 0.00 C ATOM 1158 C TRP C 20 136.278 0.882 -4.032 1.00 0.00 C ATOM 1159 O TRP C 20 137.283 0.407 -4.562 1.00 0.00 O ATOM 1160 CB TRP C 20 134.542 -0.720 -4.862 1.00 0.00 C ATOM 1161 CG TRP C 20 133.100 -0.862 -5.206 1.00 0.00 C ATOM 1162 CD1 TRP C 20 132.560 -1.299 -6.379 1.00 0.00 C ATOM 1163 CD2 TRP C 20 132.003 -0.531 -4.353 1.00 0.00 C ATOM 1164 NE1 TRP C 20 131.188 -1.273 -6.297 1.00 0.00 N ATOM 1165 CE2 TRP C 20 130.827 -0.805 -5.065 1.00 0.00 C ATOM 1166 CE3 TRP C 20 131.901 -0.035 -3.050 1.00 0.00 C ATOM 1167 CZ2 TRP C 20 129.569 -0.600 -4.521 1.00 0.00 C ATOM 1168 CZ3 TRP C 20 130.650 0.167 -2.514 1.00 0.00 C ATOM 1169 CH2 TRP C 20 129.498 -0.116 -3.247 1.00 0.00 C ATOM 0 H TRP C 20 135.246 0.959 -6.711 1.00 0.00 H new ATOM 0 HA TRP C 20 134.163 1.163 -3.997 1.00 0.00 H new ATOM 0 HB2 TRP C 20 135.153 -1.151 -5.656 1.00 0.00 H new ATOM 0 HB3 TRP C 20 134.759 -1.281 -3.953 1.00 0.00 H new ATOM 0 HD1 TRP C 20 133.125 -1.618 -7.243 1.00 0.00 H new ATOM 0 HE1 TRP C 20 130.544 -1.557 -7.036 1.00 0.00 H new ATOM 0 HE3 TRP C 20 132.788 0.186 -2.475 1.00 0.00 H new ATOM 0 HZ2 TRP C 20 128.675 -0.816 -5.086 1.00 0.00 H new ATOM 0 HZ3 TRP C 20 130.559 0.551 -1.509 1.00 0.00 H new ATOM 0 HH2 TRP C 20 128.530 0.051 -2.798 1.00 0.00 H new ATOM 1180 N VAL C 21 136.302 1.571 -2.910 1.00 0.00 N ATOM 1181 CA VAL C 21 137.531 1.828 -2.202 1.00 0.00 C ATOM 1182 C VAL C 21 137.564 1.042 -0.926 1.00 0.00 C ATOM 1183 O VAL C 21 136.581 0.943 -0.204 1.00 0.00 O ATOM 1184 CB VAL C 21 137.698 3.340 -1.935 1.00 0.00 C ATOM 1185 CG1 VAL C 21 137.243 4.105 -3.164 1.00 0.00 C ATOM 1186 CG2 VAL C 21 136.912 3.776 -0.710 1.00 0.00 C ATOM 0 H VAL C 21 135.472 1.966 -2.468 1.00 0.00 H new ATOM 0 HA VAL C 21 138.369 1.507 -2.820 1.00 0.00 H new ATOM 0 HB VAL C 21 138.748 3.553 -1.735 1.00 0.00 H new ATOM 0 HG11 VAL C 21 137.356 5.175 -2.989 1.00 0.00 H new ATOM 0 HG12 VAL C 21 137.850 3.812 -4.021 1.00 0.00 H new ATOM 0 HG13 VAL C 21 136.196 3.879 -3.367 1.00 0.00 H new ATOM 0 HG21 VAL C 21 137.051 4.845 -0.550 1.00 0.00 H new ATOM 0 HG22 VAL C 21 135.853 3.567 -0.864 1.00 0.00 H new ATOM 0 HG23 VAL C 21 137.267 3.229 0.164 1.00 0.00 H new ATOM 1196 N LEU C 22 138.701 0.449 -0.693 1.00 0.00 N ATOM 1197 CA LEU C 22 138.907 -0.374 0.462 1.00 0.00 C ATOM 1198 C LEU C 22 138.549 0.347 1.750 1.00 0.00 C ATOM 1199 O LEU C 22 139.079 1.417 2.050 1.00 0.00 O ATOM 1200 CB LEU C 22 140.345 -0.824 0.471 1.00 0.00 C ATOM 1201 CG LEU C 22 140.582 -2.259 -0.006 1.00 0.00 C ATOM 1202 CD1 LEU C 22 141.807 -2.874 0.625 1.00 0.00 C ATOM 1203 CD2 LEU C 22 139.400 -3.152 0.289 1.00 0.00 C ATOM 0 H LEU C 22 139.515 0.524 -1.303 1.00 0.00 H new ATOM 0 HA LEU C 22 138.245 -1.238 0.407 1.00 0.00 H new ATOM 0 HB2 LEU C 22 140.924 -0.149 -0.159 1.00 0.00 H new ATOM 0 HB3 LEU C 22 140.733 -0.726 1.485 1.00 0.00 H new ATOM 0 HG LEU C 22 140.728 -2.188 -1.084 1.00 0.00 H new ATOM 0 HD11 LEU C 22 141.934 -3.892 0.256 1.00 0.00 H new ATOM 0 HD12 LEU C 22 142.685 -2.282 0.367 1.00 0.00 H new ATOM 0 HD13 LEU C 22 141.688 -2.893 1.708 1.00 0.00 H new ATOM 0 HD21 LEU C 22 139.609 -4.161 -0.065 1.00 0.00 H new ATOM 0 HD22 LEU C 22 139.220 -3.175 1.364 1.00 0.00 H new ATOM 0 HD23 LEU C 22 138.516 -2.765 -0.218 1.00 0.00 H new ATOM 1215 N LEU C 23 137.656 -0.265 2.515 1.00 0.00 N ATOM 1216 CA LEU C 23 137.228 0.292 3.785 1.00 0.00 C ATOM 1217 C LEU C 23 138.408 0.486 4.710 1.00 0.00 C ATOM 1218 O LEU C 23 138.508 1.493 5.407 1.00 0.00 O ATOM 1219 CB LEU C 23 136.229 -0.635 4.460 1.00 0.00 C ATOM 1220 CG LEU C 23 135.724 -0.172 5.839 1.00 0.00 C ATOM 1221 CD1 LEU C 23 135.591 1.337 5.916 1.00 0.00 C ATOM 1222 CD2 LEU C 23 134.392 -0.809 6.172 1.00 0.00 C ATOM 0 H LEU C 23 137.213 -1.152 2.274 1.00 0.00 H new ATOM 0 HA LEU C 23 136.761 1.256 3.584 1.00 0.00 H new ATOM 0 HB2 LEU C 23 135.370 -0.758 3.800 1.00 0.00 H new ATOM 0 HB3 LEU C 23 136.689 -1.617 4.571 1.00 0.00 H new ATOM 0 HG LEU C 23 136.470 -0.491 6.567 1.00 0.00 H new ATOM 0 HD11 LEU C 23 135.232 1.621 6.905 1.00 0.00 H new ATOM 0 HD12 LEU C 23 136.563 1.798 5.737 1.00 0.00 H new ATOM 0 HD13 LEU C 23 134.883 1.679 5.161 1.00 0.00 H new ATOM 0 HD21 LEU C 23 134.059 -0.465 7.151 1.00 0.00 H new ATOM 0 HD22 LEU C 23 133.656 -0.528 5.419 1.00 0.00 H new ATOM 0 HD23 LEU C 23 134.501 -1.893 6.186 1.00 0.00 H new ATOM 1234 N SER C 24 139.290 -0.498 4.733 1.00 0.00 N ATOM 1235 CA SER C 24 140.448 -0.454 5.611 1.00 0.00 C ATOM 1236 C SER C 24 141.360 0.708 5.254 1.00 0.00 C ATOM 1237 O SER C 24 142.100 1.197 6.109 1.00 0.00 O ATOM 1238 CB SER C 24 141.226 -1.771 5.539 1.00 0.00 C ATOM 1239 OG SER C 24 140.787 -2.566 4.450 1.00 0.00 O ATOM 0 H SER C 24 139.227 -1.336 4.155 1.00 0.00 H new ATOM 0 HA SER C 24 140.089 -0.309 6.630 1.00 0.00 H new ATOM 0 HB2 SER C 24 142.291 -1.562 5.435 1.00 0.00 H new ATOM 0 HB3 SER C 24 141.099 -2.323 6.470 1.00 0.00 H new ATOM 0 HG SER C 24 141.301 -3.400 4.426 1.00 0.00 H new ATOM 1245 N THR C 25 141.280 1.197 4.020 1.00 0.00 N ATOM 1246 CA THR C 25 142.085 2.347 3.648 1.00 0.00 C ATOM 1247 C THR C 25 141.550 3.575 4.385 1.00 0.00 C ATOM 1248 O THR C 25 142.225 4.597 4.510 1.00 0.00 O ATOM 1249 CB THR C 25 142.046 2.586 2.134 1.00 0.00 C ATOM 1250 OG1 THR C 25 142.676 1.520 1.445 1.00 0.00 O ATOM 1251 CG2 THR C 25 142.716 3.870 1.692 1.00 0.00 C ATOM 0 H THR C 25 140.683 0.825 3.282 1.00 0.00 H new ATOM 0 HA THR C 25 143.122 2.160 3.926 1.00 0.00 H new ATOM 0 HB THR C 25 140.986 2.656 1.891 1.00 0.00 H new ATOM 0 HG1 THR C 25 142.641 1.688 0.480 1.00 0.00 H new ATOM 0 HG21 THR C 25 142.645 3.963 0.608 1.00 0.00 H new ATOM 0 HG22 THR C 25 142.221 4.719 2.163 1.00 0.00 H new ATOM 0 HG23 THR C 25 143.765 3.853 1.986 1.00 0.00 H new ATOM 1259 N PHE C 26 140.303 3.447 4.850 1.00 0.00 N ATOM 1260 CA PHE C 26 139.599 4.511 5.561 1.00 0.00 C ATOM 1261 C PHE C 26 139.622 4.296 7.076 1.00 0.00 C ATOM 1262 O PHE C 26 139.208 5.169 7.836 1.00 0.00 O ATOM 1263 CB PHE C 26 138.168 4.618 5.022 1.00 0.00 C ATOM 1264 CG PHE C 26 138.118 5.291 3.659 1.00 0.00 C ATOM 1265 CD1 PHE C 26 138.520 4.604 2.518 1.00 0.00 C ATOM 1266 CD2 PHE C 26 137.687 6.606 3.515 1.00 0.00 C ATOM 1267 CE1 PHE C 26 138.491 5.211 1.269 1.00 0.00 C ATOM 1268 CE2 PHE C 26 137.654 7.215 2.267 1.00 0.00 C ATOM 1269 CZ PHE C 26 138.057 6.515 1.141 1.00 0.00 C ATOM 0 H PHE C 26 139.753 2.595 4.741 1.00 0.00 H new ATOM 0 HA PHE C 26 140.114 5.455 5.382 1.00 0.00 H new ATOM 0 HB2 PHE C 26 137.733 3.621 4.950 1.00 0.00 H new ATOM 0 HB3 PHE C 26 137.557 5.182 5.727 1.00 0.00 H new ATOM 0 HD1 PHE C 26 138.860 3.583 2.605 1.00 0.00 H new ATOM 0 HD2 PHE C 26 137.373 7.162 4.386 1.00 0.00 H new ATOM 0 HE1 PHE C 26 138.809 4.661 0.396 1.00 0.00 H new ATOM 0 HE2 PHE C 26 137.314 8.236 2.174 1.00 0.00 H new ATOM 0 HZ PHE C 26 138.032 6.987 0.170 1.00 0.00 H new ATOM 1279 N LEU C 27 140.137 3.151 7.517 1.00 0.00 N ATOM 1280 CA LEU C 27 140.231 2.862 8.946 1.00 0.00 C ATOM 1281 C LEU C 27 141.686 2.879 9.404 1.00 0.00 C ATOM 1282 O LEU C 27 142.048 3.778 10.191 1.00 0.00 O ATOM 1283 CB LEU C 27 139.601 1.507 9.271 1.00 0.00 C ATOM 1284 CG LEU C 27 138.441 1.096 8.365 1.00 0.00 C ATOM 1285 CD1 LEU C 27 137.954 -0.292 8.706 1.00 0.00 C ATOM 1286 CD2 LEU C 27 137.282 2.067 8.477 1.00 0.00 C ATOM 1287 OXT LEU C 27 142.452 1.992 8.971 1.00 0.00 O ATOM 0 H LEU C 27 140.493 2.413 6.910 1.00 0.00 H new ATOM 0 HA LEU C 27 139.683 3.639 9.480 1.00 0.00 H new ATOM 0 HB2 LEU C 27 140.375 0.741 9.214 1.00 0.00 H new ATOM 0 HB3 LEU C 27 139.247 1.526 10.302 1.00 0.00 H new ATOM 0 HG LEU C 27 138.817 1.107 7.342 1.00 0.00 H new ATOM 0 HD11 LEU C 27 137.128 -0.560 8.047 1.00 0.00 H new ATOM 0 HD12 LEU C 27 138.768 -1.005 8.577 1.00 0.00 H new ATOM 0 HD13 LEU C 27 137.613 -0.314 9.741 1.00 0.00 H new ATOM 0 HD21 LEU C 27 136.474 1.746 7.820 1.00 0.00 H new ATOM 0 HD22 LEU C 27 136.925 2.090 9.507 1.00 0.00 H new ATOM 0 HD23 LEU C 27 137.613 3.064 8.185 1.00 0.00 H new