USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 774 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 62 TYR OH : rot -69:sc= -0.0718 USER MOD Set 1.2: A 89 SER OG : rot -170:sc= 0.522 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 55 GLN : amide:sc= -3 K(o=-3,f=-9.4!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 150:sc= -0.393 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.438 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.08 X(o=-0.08,f=0) USER MOD Single : A 29 THR OG1 : rot 129:sc= 0.564 USER MOD Single : A 30 GLN : amide:sc= -7.76! C(o=-7.8!,f=-11!) USER MOD Single : A 31 THR OG1 : rot -80:sc= 0.99 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 116:sc= 0.761 USER MOD Single : A 35 SER OG : rot 150:sc= -0.583 USER MOD Single : A 36 ASN : amide:sc= 0.26 X(o=0.26,f=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -160:sc= -0.0561 USER MOD Single : A 71 ASN : amide:sc= -0.664 K(o=-0.66,f=-1.2!) USER MOD Single : A 72 THR OG1 : rot 61:sc= 1.24 USER MOD Single : A 77 HIS : no HD1:sc= -0.472 X(o=-0.47,f=-0.79) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 38:sc= 0.0209 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 2.462 -0.233 -1.955 1.00 3.13 N ATOM 2 CA PRO A 1 3.573 -0.753 -2.759 1.00 14.45 C ATOM 3 C PRO A 1 3.377 -2.216 -3.139 1.00 60.15 C ATOM 4 O PRO A 1 2.519 -2.904 -2.584 1.00 5.24 O ATOM 5 CB PRO A 1 4.783 -0.598 -1.834 1.00 53.20 C ATOM 6 CG PRO A 1 4.213 -0.619 -0.458 1.00 1.14 C ATOM 7 CD PRO A 1 2.858 0.026 -0.560 1.00 64.42 C ATOM 0 H2 PRO A 1 1.692 -0.902 -1.970 1.00 3.13 H new ATOM 0 H3 PRO A 1 2.116 0.630 -2.374 1.00 3.13 H new ATOM 0 HA PRO A 1 3.673 -0.224 -3.707 1.00 14.45 H new ATOM 0 HB2 PRO A 1 5.498 -1.408 -1.979 1.00 53.20 H new ATOM 0 HB3 PRO A 1 5.313 0.334 -2.029 1.00 53.20 H new ATOM 0 HG2 PRO A 1 4.132 -1.640 -0.085 1.00 1.14 H new ATOM 0 HG3 PRO A 1 4.852 -0.075 0.237 1.00 1.14 H new ATOM 0 HD2 PRO A 1 2.151 -0.410 0.146 1.00 64.42 H new ATOM 0 HD3 PRO A 1 2.904 1.094 -0.347 1.00 64.42 H new ATOM 15 N LEU A 2 4.177 -2.687 -4.090 1.00 30.14 N ATOM 16 CA LEU A 2 4.092 -4.071 -4.545 1.00 3.52 C ATOM 17 C LEU A 2 5.132 -4.353 -5.625 1.00 34.00 C ATOM 18 O LEU A 2 4.922 -4.047 -6.799 1.00 44.53 O ATOM 19 CB LEU A 2 2.690 -4.367 -5.080 1.00 63.01 C ATOM 20 CG LEU A 2 1.793 -5.216 -4.178 1.00 43.14 C ATOM 21 CD1 LEU A 2 0.362 -4.704 -4.216 1.00 34.41 C ATOM 22 CD2 LEU A 2 1.850 -6.679 -4.595 1.00 1.45 C ATOM 0 H LEU A 2 4.891 -2.131 -4.561 1.00 30.14 H new ATOM 0 HA LEU A 2 4.294 -4.721 -3.694 1.00 3.52 H new ATOM 0 HB2 LEU A 2 2.187 -3.419 -5.269 1.00 63.01 H new ATOM 0 HB3 LEU A 2 2.789 -4.873 -6.040 1.00 63.01 H new ATOM 0 HG LEU A 2 2.159 -5.136 -3.154 1.00 43.14 H new ATOM 0 HD11 LEU A 2 -0.262 -5.320 -3.569 1.00 34.41 H new ATOM 0 HD12 LEU A 2 0.336 -3.671 -3.869 1.00 34.41 H new ATOM 0 HD13 LEU A 2 -0.015 -4.754 -5.237 1.00 34.41 H new ATOM 0 HD21 LEU A 2 1.206 -7.269 -3.943 1.00 1.45 H new ATOM 0 HD22 LEU A 2 1.510 -6.777 -5.626 1.00 1.45 H new ATOM 0 HD23 LEU A 2 2.875 -7.040 -4.516 1.00 1.45 H new ATOM 34 N THR A 3 6.253 -4.942 -5.221 1.00 10.34 N ATOM 35 CA THR A 3 7.325 -5.267 -6.153 1.00 53.12 C ATOM 36 C THR A 3 7.127 -6.653 -6.756 1.00 23.12 C ATOM 37 O THR A 3 6.307 -7.437 -6.278 1.00 22.03 O ATOM 38 CB THR A 3 8.703 -5.209 -5.468 1.00 12.04 C ATOM 39 OG1 THR A 3 9.690 -4.738 -6.392 1.00 22.23 O ATOM 40 CG2 THR A 3 9.104 -6.579 -4.943 1.00 63.31 C ATOM 0 H THR A 3 6.442 -5.204 -4.253 1.00 10.34 H new ATOM 0 HA THR A 3 7.291 -4.520 -6.946 1.00 53.12 H new ATOM 0 HB THR A 3 8.637 -4.520 -4.626 1.00 12.04 H new ATOM 0 HG1 THR A 3 10.563 -4.702 -5.948 1.00 22.23 H new ATOM 0 HG21 THR A 3 10.081 -6.513 -4.463 1.00 63.31 H new ATOM 0 HG22 THR A 3 8.366 -6.921 -4.218 1.00 63.31 H new ATOM 0 HG23 THR A 3 9.153 -7.286 -5.771 1.00 63.31 H new ATOM 48 N ARG A 4 7.884 -6.950 -7.807 1.00 44.51 N ATOM 49 CA ARG A 4 7.792 -8.242 -8.475 1.00 72.12 C ATOM 50 C ARG A 4 8.766 -9.243 -7.861 1.00 2.33 C ATOM 51 O ARG A 4 9.776 -8.875 -7.260 1.00 14.44 O ATOM 52 CB ARG A 4 8.077 -8.089 -9.970 1.00 53.23 C ATOM 53 CG ARG A 4 6.915 -7.502 -10.755 1.00 13.12 C ATOM 54 CD ARG A 4 7.242 -7.390 -12.236 1.00 4.45 C ATOM 55 NE ARG A 4 6.797 -8.561 -12.985 1.00 61.21 N ATOM 56 CZ ARG A 4 6.936 -8.689 -14.300 1.00 3.01 C ATOM 57 NH1 ARG A 4 7.506 -7.723 -15.007 1.00 11.54 N ATOM 58 NH2 ARG A 4 6.506 -9.786 -14.910 1.00 52.44 N ATOM 0 H ARG A 4 8.568 -6.313 -8.214 1.00 44.51 H new ATOM 0 HA ARG A 4 6.778 -8.619 -8.342 1.00 72.12 H new ATOM 0 HB2 ARG A 4 8.952 -7.452 -10.101 1.00 53.23 H new ATOM 0 HB3 ARG A 4 8.329 -9.065 -10.385 1.00 53.23 H new ATOM 0 HG2 ARG A 4 6.032 -8.128 -10.623 1.00 13.12 H new ATOM 0 HG3 ARG A 4 6.669 -6.516 -10.360 1.00 13.12 H new ATOM 0 HD2 ARG A 4 6.769 -6.497 -12.645 1.00 4.45 H new ATOM 0 HD3 ARG A 4 8.318 -7.267 -12.361 1.00 4.45 H new ATOM 0 HE ARG A 4 6.355 -9.323 -12.471 1.00 61.21 H new ATOM 0 HH11 ARG A 4 7.839 -6.879 -14.541 1.00 11.54 H new ATOM 0 HH12 ARG A 4 7.611 -7.824 -16.016 1.00 11.54 H new ATOM 0 HH21 ARG A 4 6.068 -10.532 -14.369 1.00 52.44 H new ATOM 0 HH22 ARG A 4 6.613 -9.883 -15.920 1.00 52.44 H new ATOM 72 N PRO A 5 8.458 -10.539 -8.013 1.00 61.25 N ATOM 73 CA PRO A 5 9.294 -11.619 -7.481 1.00 33.52 C ATOM 74 C PRO A 5 10.620 -11.746 -8.223 1.00 31.13 C ATOM 75 O PRO A 5 10.788 -12.626 -9.068 1.00 0.33 O ATOM 76 CB PRO A 5 8.438 -12.870 -7.698 1.00 51.10 C ATOM 77 CG PRO A 5 7.545 -12.524 -8.839 1.00 74.00 C ATOM 78 CD PRO A 5 7.271 -11.050 -8.719 1.00 33.45 C ATOM 0 HA PRO A 5 9.567 -11.447 -6.440 1.00 33.52 H new ATOM 0 HB2 PRO A 5 9.056 -13.738 -7.928 1.00 51.10 H new ATOM 0 HB3 PRO A 5 7.863 -13.116 -6.805 1.00 51.10 H new ATOM 0 HG2 PRO A 5 8.021 -12.756 -9.792 1.00 74.00 H new ATOM 0 HG3 PRO A 5 6.619 -13.098 -8.798 1.00 74.00 H new ATOM 0 HD2 PRO A 5 7.152 -10.582 -9.696 1.00 33.45 H new ATOM 0 HD3 PRO A 5 6.356 -10.856 -8.160 1.00 33.45 H new ATOM 86 N TYR A 6 11.559 -10.863 -7.901 1.00 73.23 N ATOM 87 CA TYR A 6 12.870 -10.875 -8.539 1.00 71.31 C ATOM 88 C TYR A 6 13.981 -10.985 -7.499 1.00 74.21 C ATOM 89 O TYR A 6 14.044 -10.197 -6.555 1.00 11.41 O ATOM 90 CB TYR A 6 13.064 -9.611 -9.377 1.00 42.25 C ATOM 91 CG TYR A 6 13.010 -9.858 -10.868 1.00 62.31 C ATOM 92 CD1 TYR A 6 14.101 -10.391 -11.544 1.00 32.11 C ATOM 93 CD2 TYR A 6 11.868 -9.560 -11.601 1.00 34.15 C ATOM 94 CE1 TYR A 6 14.056 -10.618 -12.906 1.00 10.02 C ATOM 95 CE2 TYR A 6 11.813 -9.785 -12.963 1.00 22.15 C ATOM 96 CZ TYR A 6 12.910 -10.314 -13.611 1.00 1.44 C ATOM 97 OH TYR A 6 12.861 -10.540 -14.967 1.00 51.41 O ATOM 0 H TYR A 6 11.437 -10.130 -7.202 1.00 73.23 H new ATOM 0 HA TYR A 6 12.920 -11.747 -9.192 1.00 71.31 H new ATOM 0 HB2 TYR A 6 12.295 -8.886 -9.109 1.00 42.25 H new ATOM 0 HB3 TYR A 6 14.025 -9.163 -9.126 1.00 42.25 H new ATOM 0 HD1 TYR A 6 14.999 -10.632 -10.995 1.00 32.11 H new ATOM 0 HD2 TYR A 6 11.008 -9.145 -11.097 1.00 34.15 H new ATOM 0 HE1 TYR A 6 14.914 -11.031 -13.416 1.00 10.02 H new ATOM 0 HE2 TYR A 6 10.917 -9.548 -13.517 1.00 22.15 H new ATOM 0 HH TYR A 6 11.983 -10.273 -15.312 1.00 51.41 H new ATOM 107 N LEU A 7 14.855 -11.968 -7.679 1.00 65.44 N ATOM 108 CA LEU A 7 15.966 -12.183 -6.758 1.00 31.10 C ATOM 109 C LEU A 7 17.230 -11.491 -7.258 1.00 60.31 C ATOM 110 O LEU A 7 17.668 -11.716 -8.385 1.00 65.23 O ATOM 111 CB LEU A 7 16.226 -13.680 -6.582 1.00 31.15 C ATOM 112 CG LEU A 7 16.505 -14.468 -7.862 1.00 34.42 C ATOM 113 CD1 LEU A 7 17.970 -14.867 -7.935 1.00 24.23 C ATOM 114 CD2 LEU A 7 15.611 -15.698 -7.936 1.00 62.01 C ATOM 0 H LEU A 7 14.816 -12.629 -8.454 1.00 65.44 H new ATOM 0 HA LEU A 7 15.695 -11.752 -5.794 1.00 31.10 H new ATOM 0 HB2 LEU A 7 17.075 -13.804 -5.910 1.00 31.15 H new ATOM 0 HB3 LEU A 7 15.361 -14.123 -6.088 1.00 31.15 H new ATOM 0 HG LEU A 7 16.281 -13.828 -8.716 1.00 34.42 H new ATOM 0 HD11 LEU A 7 18.149 -15.427 -8.853 1.00 24.23 H new ATOM 0 HD12 LEU A 7 18.592 -13.972 -7.929 1.00 24.23 H new ATOM 0 HD13 LEU A 7 18.221 -15.489 -7.076 1.00 24.23 H new ATOM 0 HD21 LEU A 7 15.823 -16.247 -8.853 1.00 62.01 H new ATOM 0 HD22 LEU A 7 15.803 -16.340 -7.076 1.00 62.01 H new ATOM 0 HD23 LEU A 7 14.566 -15.389 -7.931 1.00 62.01 H new ATOM 126 N GLY A 8 17.813 -10.649 -6.410 1.00 31.21 N ATOM 127 CA GLY A 8 19.022 -9.939 -6.783 1.00 63.11 C ATOM 128 C GLY A 8 20.184 -10.248 -5.860 1.00 0.44 C ATOM 129 O GLY A 8 21.189 -9.536 -5.855 1.00 13.12 O ATOM 0 H GLY A 8 17.469 -10.446 -5.471 1.00 31.21 H new ATOM 0 HA2 GLY A 8 19.294 -10.203 -7.805 1.00 63.11 H new ATOM 0 HA3 GLY A 8 18.828 -8.866 -6.771 1.00 63.11 H new ATOM 133 N PHE A 9 20.047 -11.311 -5.074 1.00 43.30 N ATOM 134 CA PHE A 9 21.093 -11.710 -4.140 1.00 21.44 C ATOM 135 C PHE A 9 21.123 -13.227 -3.973 1.00 10.21 C ATOM 136 O PHE A 9 20.237 -13.933 -4.456 1.00 2.45 O ATOM 137 CB PHE A 9 20.876 -11.041 -2.781 1.00 53.21 C ATOM 138 CG PHE A 9 19.607 -11.467 -2.099 1.00 23.12 C ATOM 139 CD1 PHE A 9 18.374 -11.065 -2.586 1.00 62.12 C ATOM 140 CD2 PHE A 9 19.648 -12.270 -0.971 1.00 21.25 C ATOM 141 CE1 PHE A 9 17.206 -11.455 -1.960 1.00 33.32 C ATOM 142 CE2 PHE A 9 18.483 -12.664 -0.340 1.00 52.00 C ATOM 143 CZ PHE A 9 17.260 -12.257 -0.836 1.00 51.31 C ATOM 0 H PHE A 9 19.222 -11.911 -5.065 1.00 43.30 H new ATOM 0 HA PHE A 9 22.051 -11.387 -4.547 1.00 21.44 H new ATOM 0 HB2 PHE A 9 21.722 -11.270 -2.133 1.00 53.21 H new ATOM 0 HB3 PHE A 9 20.861 -9.959 -2.916 1.00 53.21 H new ATOM 0 HD1 PHE A 9 18.325 -10.440 -3.465 1.00 62.12 H new ATOM 0 HD2 PHE A 9 20.602 -12.592 -0.580 1.00 21.25 H new ATOM 0 HE1 PHE A 9 16.251 -11.133 -2.349 1.00 33.32 H new ATOM 0 HE2 PHE A 9 18.529 -13.289 0.539 1.00 52.00 H new ATOM 0 HZ PHE A 9 16.348 -12.565 -0.346 1.00 51.31 H new ATOM 153 N ARG A 10 22.149 -13.721 -3.287 1.00 14.40 N ATOM 154 CA ARG A 10 22.296 -15.153 -3.058 1.00 12.22 C ATOM 155 C ARG A 10 22.139 -15.485 -1.577 1.00 21.32 C ATOM 156 O ARG A 10 22.351 -14.634 -0.713 1.00 22.42 O ATOM 157 CB ARG A 10 23.659 -15.633 -3.558 1.00 24.42 C ATOM 158 CG ARG A 10 23.756 -15.722 -5.072 1.00 42.21 C ATOM 159 CD ARG A 10 25.180 -16.005 -5.524 1.00 4.04 C ATOM 160 NE ARG A 10 25.223 -16.935 -6.649 1.00 42.31 N ATOM 161 CZ ARG A 10 25.010 -16.573 -7.909 1.00 62.24 C ATOM 162 NH1 ARG A 10 24.742 -15.309 -8.204 1.00 14.45 N ATOM 163 NH2 ARG A 10 25.066 -17.478 -8.879 1.00 4.52 N ATOM 0 H ARG A 10 22.890 -13.150 -2.880 1.00 14.40 H new ATOM 0 HA ARG A 10 21.512 -15.667 -3.613 1.00 12.22 H new ATOM 0 HB2 ARG A 10 24.430 -14.955 -3.192 1.00 24.42 H new ATOM 0 HB3 ARG A 10 23.868 -16.614 -3.131 1.00 24.42 H new ATOM 0 HG2 ARG A 10 23.095 -16.509 -5.434 1.00 42.21 H new ATOM 0 HG3 ARG A 10 23.411 -14.788 -5.515 1.00 42.21 H new ATOM 0 HD2 ARG A 10 25.663 -15.070 -5.808 1.00 4.04 H new ATOM 0 HD3 ARG A 10 25.749 -16.417 -4.691 1.00 4.04 H new ATOM 0 HE ARG A 10 25.428 -17.916 -6.457 1.00 42.31 H new ATOM 0 HH11 ARG A 10 24.699 -14.610 -7.462 1.00 14.45 H new ATOM 0 HH12 ARG A 10 24.579 -15.035 -9.173 1.00 14.45 H new ATOM 0 HH21 ARG A 10 25.273 -18.452 -8.657 1.00 4.52 H new ATOM 0 HH22 ARG A 10 24.902 -17.199 -9.846 1.00 4.52 H new ATOM 177 N VAL A 11 21.766 -16.729 -1.291 1.00 13.30 N ATOM 178 CA VAL A 11 21.581 -17.174 0.085 1.00 71.31 C ATOM 179 C VAL A 11 21.933 -18.650 0.237 1.00 50.23 C ATOM 180 O VAL A 11 21.339 -19.510 -0.413 1.00 21.04 O ATOM 181 CB VAL A 11 20.132 -16.952 0.557 1.00 74.41 C ATOM 182 CG1 VAL A 11 19.884 -15.480 0.848 1.00 62.11 C ATOM 183 CG2 VAL A 11 19.148 -17.472 -0.481 1.00 43.32 C ATOM 0 H VAL A 11 21.586 -17.446 -1.994 1.00 13.30 H new ATOM 0 HA VAL A 11 22.252 -16.578 0.703 1.00 71.31 H new ATOM 0 HB VAL A 11 19.980 -17.510 1.481 1.00 74.41 H new ATOM 0 HG11 VAL A 11 18.855 -15.343 1.180 1.00 62.11 H new ATOM 0 HG12 VAL A 11 20.565 -15.144 1.630 1.00 62.11 H new ATOM 0 HG13 VAL A 11 20.054 -14.897 -0.057 1.00 62.11 H new ATOM 0 HG21 VAL A 11 18.129 -17.307 -0.131 1.00 43.32 H new ATOM 0 HG22 VAL A 11 19.299 -16.943 -1.422 1.00 43.32 H new ATOM 0 HG23 VAL A 11 19.311 -18.539 -0.634 1.00 43.32 H new ATOM 193 N ALA A 12 22.903 -18.935 1.099 1.00 32.33 N ATOM 194 CA ALA A 12 23.333 -20.307 1.339 1.00 73.43 C ATOM 195 C ALA A 12 22.894 -20.787 2.718 1.00 21.31 C ATOM 196 O ALA A 12 23.233 -20.181 3.734 1.00 13.43 O ATOM 197 CB ALA A 12 24.843 -20.420 1.194 1.00 22.02 C ATOM 0 H ALA A 12 23.406 -18.234 1.643 1.00 32.33 H new ATOM 0 HA ALA A 12 22.859 -20.946 0.594 1.00 73.43 H new ATOM 0 HB1 ALA A 12 25.150 -21.450 1.376 1.00 22.02 H new ATOM 0 HB2 ALA A 12 25.135 -20.127 0.185 1.00 22.02 H new ATOM 0 HB3 ALA A 12 25.328 -19.764 1.917 1.00 22.02 H new ATOM 203 N VAL A 13 22.138 -21.880 2.747 1.00 72.15 N ATOM 204 CA VAL A 13 21.653 -22.442 4.002 1.00 51.24 C ATOM 205 C VAL A 13 22.668 -23.409 4.599 1.00 24.15 C ATOM 206 O VAL A 13 23.218 -24.259 3.900 1.00 3.13 O ATOM 207 CB VAL A 13 20.313 -23.177 3.807 1.00 2.52 C ATOM 208 CG1 VAL A 13 20.498 -24.399 2.921 1.00 1.11 C ATOM 209 CG2 VAL A 13 19.721 -23.568 5.153 1.00 55.35 C ATOM 0 H VAL A 13 21.848 -22.394 1.915 1.00 72.15 H new ATOM 0 HA VAL A 13 21.505 -21.607 4.687 1.00 51.24 H new ATOM 0 HB VAL A 13 19.616 -22.502 3.311 1.00 2.52 H new ATOM 0 HG11 VAL A 13 19.541 -24.905 2.795 1.00 1.11 H new ATOM 0 HG12 VAL A 13 20.875 -24.088 1.947 1.00 1.11 H new ATOM 0 HG13 VAL A 13 21.210 -25.081 3.386 1.00 1.11 H new ATOM 0 HG21 VAL A 13 18.775 -24.086 4.998 1.00 55.35 H new ATOM 0 HG22 VAL A 13 20.413 -24.226 5.678 1.00 55.35 H new ATOM 0 HG23 VAL A 13 19.550 -22.672 5.749 1.00 55.35 H new ATOM 219 N GLY A 14 22.912 -23.274 5.900 1.00 44.24 N ATOM 220 CA GLY A 14 23.861 -24.143 6.571 1.00 44.34 C ATOM 221 C GLY A 14 23.735 -24.084 8.080 1.00 52.21 C ATOM 222 O GLY A 14 22.632 -23.956 8.612 1.00 2.54 O ATOM 0 H GLY A 14 22.469 -22.578 6.500 1.00 44.24 H new ATOM 0 HA2 GLY A 14 23.708 -25.169 6.237 1.00 44.34 H new ATOM 0 HA3 GLY A 14 24.874 -23.861 6.283 1.00 44.34 H new ATOM 226 N ARG A 15 24.866 -24.179 8.771 1.00 32.43 N ATOM 227 CA ARG A 15 24.876 -24.139 10.229 1.00 61.24 C ATOM 228 C ARG A 15 25.948 -23.180 10.738 1.00 13.04 C ATOM 229 O ARG A 15 27.061 -23.141 10.214 1.00 72.23 O ATOM 230 CB ARG A 15 25.117 -25.539 10.797 1.00 43.11 C ATOM 231 CG ARG A 15 24.309 -26.625 10.105 1.00 3.42 C ATOM 232 CD ARG A 15 22.815 -26.415 10.298 1.00 64.44 C ATOM 233 NE ARG A 15 22.222 -27.450 11.141 1.00 51.24 N ATOM 234 CZ ARG A 15 22.080 -28.715 10.761 1.00 23.05 C ATOM 235 NH1 ARG A 15 22.488 -29.100 9.560 1.00 33.10 N ATOM 236 NH2 ARG A 15 21.531 -29.598 11.585 1.00 34.13 N ATOM 0 H ARG A 15 25.787 -24.284 8.345 1.00 32.43 H new ATOM 0 HA ARG A 15 23.903 -23.781 10.565 1.00 61.24 H new ATOM 0 HB2 ARG A 15 26.177 -25.778 10.714 1.00 43.11 H new ATOM 0 HB3 ARG A 15 24.873 -25.538 11.859 1.00 43.11 H new ATOM 0 HG2 ARG A 15 24.542 -26.631 9.040 1.00 3.42 H new ATOM 0 HG3 ARG A 15 24.595 -27.600 10.500 1.00 3.42 H new ATOM 0 HD2 ARG A 15 22.641 -25.437 10.748 1.00 64.44 H new ATOM 0 HD3 ARG A 15 22.321 -26.411 9.326 1.00 64.44 H new ATOM 0 HE ARG A 15 21.899 -27.187 12.072 1.00 51.24 H new ATOM 0 HH11 ARG A 15 22.912 -28.424 8.925 1.00 33.10 H new ATOM 0 HH12 ARG A 15 22.378 -30.072 9.271 1.00 33.10 H new ATOM 0 HH21 ARG A 15 21.218 -29.306 12.511 1.00 34.13 H new ATOM 0 HH22 ARG A 15 21.422 -30.569 11.293 1.00 34.13 H new ATOM 250 N ASP A 16 25.604 -22.408 11.763 1.00 12.31 N ATOM 251 CA ASP A 16 26.536 -21.449 12.344 1.00 0.35 C ATOM 252 C ASP A 16 27.176 -22.011 13.610 1.00 34.30 C ATOM 253 O ASP A 16 26.942 -23.163 13.976 1.00 64.21 O ATOM 254 CB ASP A 16 25.819 -20.136 12.661 1.00 13.51 C ATOM 255 CG ASP A 16 24.442 -20.357 13.255 1.00 13.34 C ATOM 256 OD1 ASP A 16 23.541 -20.803 12.515 1.00 60.13 O ATOM 257 OD2 ASP A 16 24.264 -20.083 14.461 1.00 4.50 O ATOM 0 H ASP A 16 24.687 -22.428 12.209 1.00 12.31 H new ATOM 0 HA ASP A 16 27.323 -21.258 11.614 1.00 0.35 H new ATOM 0 HB2 ASP A 16 26.423 -19.555 13.358 1.00 13.51 H new ATOM 0 HB3 ASP A 16 25.728 -19.546 11.749 1.00 13.51 H new ATOM 262 N SER A 17 27.984 -21.191 14.274 1.00 52.24 N ATOM 263 CA SER A 17 28.661 -21.608 15.496 1.00 63.14 C ATOM 264 C SER A 17 27.662 -21.801 16.632 1.00 72.10 C ATOM 265 O SER A 17 27.903 -22.571 17.562 1.00 61.14 O ATOM 266 CB SER A 17 29.715 -20.574 15.898 1.00 30.51 C ATOM 267 OG SER A 17 30.757 -21.174 16.648 1.00 30.14 O ATOM 0 H SER A 17 28.186 -20.234 13.986 1.00 52.24 H new ATOM 0 HA SER A 17 29.153 -22.561 15.303 1.00 63.14 H new ATOM 0 HB2 SER A 17 30.129 -20.105 15.005 1.00 30.51 H new ATOM 0 HB3 SER A 17 29.248 -19.784 16.486 1.00 30.51 H new ATOM 0 HG SER A 17 31.419 -20.493 16.892 1.00 30.14 H new ATOM 273 N SER A 18 26.538 -21.096 16.550 1.00 42.34 N ATOM 274 CA SER A 18 25.503 -21.185 17.572 1.00 34.53 C ATOM 275 C SER A 18 24.667 -22.449 17.390 1.00 40.11 C ATOM 276 O SER A 18 24.543 -23.262 18.305 1.00 60.14 O ATOM 277 CB SER A 18 24.599 -19.952 17.523 1.00 4.42 C ATOM 278 OG SER A 18 23.894 -19.787 18.741 1.00 21.12 O ATOM 0 H SER A 18 26.321 -20.457 15.785 1.00 42.34 H new ATOM 0 HA SER A 18 25.992 -21.230 18.545 1.00 34.53 H new ATOM 0 HB2 SER A 18 25.200 -19.065 17.324 1.00 4.42 H new ATOM 0 HB3 SER A 18 23.891 -20.049 16.700 1.00 4.42 H new ATOM 0 HG SER A 18 23.325 -18.991 18.684 1.00 21.12 H new ATOM 284 N GLY A 19 24.095 -22.606 16.200 1.00 60.12 N ATOM 285 CA GLY A 19 23.278 -23.772 15.918 1.00 42.14 C ATOM 286 C GLY A 19 21.798 -23.447 15.880 1.00 30.55 C ATOM 287 O GLY A 19 21.010 -24.026 16.630 1.00 51.23 O ATOM 0 H GLY A 19 24.183 -21.947 15.427 1.00 60.12 H new ATOM 0 HA2 GLY A 19 23.578 -24.199 14.961 1.00 42.14 H new ATOM 0 HA3 GLY A 19 23.461 -24.532 16.678 1.00 42.14 H new ATOM 291 N CYS A 20 21.419 -22.520 15.008 1.00 2.25 N ATOM 292 CA CYS A 20 20.023 -22.117 14.878 1.00 22.25 C ATOM 293 C CYS A 20 19.591 -22.119 13.416 1.00 73.31 C ATOM 294 O CYS A 20 18.465 -21.741 13.089 1.00 61.52 O ATOM 295 CB CYS A 20 19.813 -20.728 15.483 1.00 31.31 C ATOM 296 SG CYS A 20 19.824 -20.701 17.291 1.00 10.10 S ATOM 0 H CYS A 20 22.059 -22.033 14.380 1.00 2.25 H new ATOM 0 HA CYS A 20 19.410 -22.837 15.420 1.00 22.25 H new ATOM 0 HB2 CYS A 20 20.593 -20.062 15.116 1.00 31.31 H new ATOM 0 HB3 CYS A 20 18.862 -20.330 15.130 1.00 31.31 H new ATOM 0 HG CYS A 20 20.272 -19.553 17.705 1.00 10.10 H new ATOM 302 N THR A 21 20.493 -22.546 12.538 1.00 42.12 N ATOM 303 CA THR A 21 20.207 -22.595 11.110 1.00 54.53 C ATOM 304 C THR A 21 19.903 -21.205 10.562 1.00 4.51 C ATOM 305 O THR A 21 18.804 -20.681 10.742 1.00 15.44 O ATOM 306 CB THR A 21 19.016 -23.524 10.807 1.00 62.02 C ATOM 307 OG1 THR A 21 18.729 -24.340 11.948 1.00 41.00 O ATOM 308 CG2 THR A 21 19.313 -24.409 9.606 1.00 72.32 C ATOM 0 H THR A 21 21.429 -22.863 12.791 1.00 42.12 H new ATOM 0 HA THR A 21 21.099 -22.988 10.623 1.00 54.53 H new ATOM 0 HB THR A 21 18.149 -22.905 10.577 1.00 62.02 H new ATOM 0 HG1 THR A 21 17.970 -24.926 11.748 1.00 41.00 H new ATOM 0 HG21 THR A 21 18.458 -25.056 9.411 1.00 72.32 H new ATOM 0 HG22 THR A 21 19.503 -23.785 8.732 1.00 72.32 H new ATOM 0 HG23 THR A 21 20.191 -25.020 9.813 1.00 72.32 H new ATOM 316 N THR A 22 20.886 -20.610 9.891 1.00 35.53 N ATOM 317 CA THR A 22 20.724 -19.281 9.317 1.00 12.45 C ATOM 318 C THR A 22 21.434 -19.172 7.973 1.00 3.42 C ATOM 319 O THR A 22 22.475 -19.794 7.757 1.00 31.21 O ATOM 320 CB THR A 22 21.266 -18.191 10.262 1.00 65.41 C ATOM 321 OG1 THR A 22 21.434 -16.962 9.547 1.00 64.21 O ATOM 322 CG2 THR A 22 22.595 -18.616 10.870 1.00 13.44 C ATOM 0 H THR A 22 21.802 -21.029 9.732 1.00 35.53 H new ATOM 0 HA THR A 22 19.655 -19.127 9.173 1.00 12.45 H new ATOM 0 HB THR A 22 20.545 -18.046 11.067 1.00 65.41 H new ATOM 0 HG1 THR A 22 21.777 -16.274 10.155 1.00 64.21 H new ATOM 0 HG21 THR A 22 22.959 -17.832 11.534 1.00 13.44 H new ATOM 0 HG22 THR A 22 22.458 -19.536 11.437 1.00 13.44 H new ATOM 0 HG23 THR A 22 23.321 -18.785 10.075 1.00 13.44 H new ATOM 330 N LEU A 23 20.867 -18.377 7.072 1.00 2.25 N ATOM 331 CA LEU A 23 21.447 -18.185 5.748 1.00 64.32 C ATOM 332 C LEU A 23 22.332 -16.943 5.715 1.00 55.21 C ATOM 333 O LEU A 23 22.207 -16.058 6.562 1.00 43.25 O ATOM 334 CB LEU A 23 20.342 -18.066 4.697 1.00 32.44 C ATOM 335 CG LEU A 23 19.738 -19.383 4.206 1.00 2.33 C ATOM 336 CD1 LEU A 23 19.064 -20.121 5.352 1.00 21.21 C ATOM 337 CD2 LEU A 23 18.749 -19.128 3.078 1.00 11.34 C ATOM 0 H LEU A 23 20.006 -17.855 7.235 1.00 2.25 H new ATOM 0 HA LEU A 23 22.064 -19.054 5.520 1.00 64.32 H new ATOM 0 HB2 LEU A 23 19.540 -17.453 5.109 1.00 32.44 H new ATOM 0 HB3 LEU A 23 20.743 -17.530 3.837 1.00 32.44 H new ATOM 0 HG LEU A 23 20.543 -20.009 3.822 1.00 2.33 H new ATOM 0 HD11 LEU A 23 18.640 -21.055 4.984 1.00 21.21 H new ATOM 0 HD12 LEU A 23 19.799 -20.337 6.128 1.00 21.21 H new ATOM 0 HD13 LEU A 23 18.269 -19.501 5.767 1.00 21.21 H new ATOM 0 HD21 LEU A 23 18.329 -20.076 2.741 1.00 11.34 H new ATOM 0 HD22 LEU A 23 17.947 -18.483 3.436 1.00 11.34 H new ATOM 0 HD23 LEU A 23 19.262 -18.643 2.248 1.00 11.34 H new ATOM 349 N SER A 24 23.223 -16.883 4.731 1.00 53.34 N ATOM 350 CA SER A 24 24.129 -15.749 4.588 1.00 72.10 C ATOM 351 C SER A 24 24.018 -15.137 3.195 1.00 61.01 C ATOM 352 O SER A 24 24.021 -15.849 2.190 1.00 23.13 O ATOM 353 CB SER A 24 25.571 -16.186 4.852 1.00 1.44 C ATOM 354 OG SER A 24 26.394 -15.072 5.152 1.00 2.24 O ATOM 0 H SER A 24 23.337 -17.606 4.021 1.00 53.34 H new ATOM 0 HA SER A 24 23.845 -14.994 5.321 1.00 72.10 H new ATOM 0 HB2 SER A 24 25.594 -16.893 5.681 1.00 1.44 H new ATOM 0 HB3 SER A 24 25.962 -16.707 3.978 1.00 1.44 H new ATOM 0 HG SER A 24 27.310 -15.378 5.318 1.00 2.24 H new ATOM 360 N ILE A 25 23.920 -13.813 3.143 1.00 2.15 N ATOM 361 CA ILE A 25 23.810 -13.104 1.875 1.00 75.35 C ATOM 362 C ILE A 25 25.186 -12.800 1.293 1.00 11.21 C ATOM 363 O ILE A 25 26.031 -12.201 1.957 1.00 45.43 O ATOM 364 CB ILE A 25 23.028 -11.787 2.032 1.00 41.51 C ATOM 365 CG1 ILE A 25 21.680 -12.045 2.708 1.00 23.13 C ATOM 366 CG2 ILE A 25 22.828 -11.124 0.677 1.00 65.11 C ATOM 367 CD1 ILE A 25 21.426 -11.159 3.908 1.00 41.15 C ATOM 0 H ILE A 25 23.915 -13.209 3.965 1.00 2.15 H new ATOM 0 HA ILE A 25 23.268 -13.759 1.194 1.00 75.35 H new ATOM 0 HB ILE A 25 23.607 -11.113 2.663 1.00 41.51 H new ATOM 0 HG12 ILE A 25 20.883 -11.894 1.980 1.00 23.13 H new ATOM 0 HG13 ILE A 25 21.633 -13.088 3.020 1.00 23.13 H new ATOM 0 HG21 ILE A 25 22.274 -10.194 0.805 1.00 65.11 H new ATOM 0 HG22 ILE A 25 23.799 -10.909 0.230 1.00 65.11 H new ATOM 0 HG23 ILE A 25 22.268 -11.793 0.024 1.00 65.11 H new ATOM 0 HD11 ILE A 25 20.453 -11.397 4.337 1.00 41.15 H new ATOM 0 HD12 ILE A 25 22.202 -11.327 4.655 1.00 41.15 H new ATOM 0 HD13 ILE A 25 21.440 -10.114 3.598 1.00 41.15 H new ATOM 379 N GLN A 26 25.402 -13.215 0.049 1.00 31.32 N ATOM 380 CA GLN A 26 26.676 -12.986 -0.622 1.00 52.40 C ATOM 381 C GLN A 26 26.546 -11.893 -1.678 1.00 15.32 C ATOM 382 O GLN A 26 27.372 -11.791 -2.584 1.00 32.20 O ATOM 383 CB GLN A 26 27.176 -14.279 -1.268 1.00 43.53 C ATOM 384 CG GLN A 26 27.654 -15.315 -0.264 1.00 72.33 C ATOM 385 CD GLN A 26 27.132 -16.706 -0.568 1.00 41.24 C ATOM 386 OE1 GLN A 26 27.906 -17.637 -0.790 1.00 64.23 O ATOM 387 NE2 GLN A 26 25.813 -16.854 -0.580 1.00 55.22 N ATOM 0 H GLN A 26 24.712 -13.711 -0.514 1.00 31.32 H new ATOM 0 HA GLN A 26 27.398 -12.659 0.126 1.00 52.40 H new ATOM 0 HB2 GLN A 26 26.374 -14.709 -1.868 1.00 43.53 H new ATOM 0 HB3 GLN A 26 27.993 -14.042 -1.950 1.00 43.53 H new ATOM 0 HG2 GLN A 26 28.744 -15.333 -0.257 1.00 72.33 H new ATOM 0 HG3 GLN A 26 27.334 -15.021 0.736 1.00 72.33 H new ATOM 0 HE21 GLN A 26 25.208 -16.055 -0.390 1.00 55.22 H new ATOM 0 HE22 GLN A 26 25.404 -17.767 -0.779 1.00 55.22 H new ATOM 396 N GLU A 27 25.502 -11.078 -1.554 1.00 24.03 N ATOM 397 CA GLU A 27 25.264 -9.994 -2.499 1.00 3.50 C ATOM 398 C GLU A 27 24.703 -8.765 -1.788 1.00 20.51 C ATOM 399 O GLU A 27 24.690 -8.698 -0.559 1.00 12.13 O ATOM 400 CB GLU A 27 24.299 -10.446 -3.596 1.00 61.55 C ATOM 401 CG GLU A 27 24.793 -10.149 -5.002 1.00 50.22 C ATOM 402 CD GLU A 27 25.459 -11.346 -5.652 1.00 52.04 C ATOM 403 OE1 GLU A 27 25.996 -12.199 -4.916 1.00 63.21 O ATOM 404 OE2 GLU A 27 25.442 -11.429 -6.899 1.00 33.35 O ATOM 0 H GLU A 27 24.809 -11.148 -0.809 1.00 24.03 H new ATOM 0 HA GLU A 27 26.218 -9.726 -2.952 1.00 3.50 H new ATOM 0 HB2 GLU A 27 24.128 -11.518 -3.499 1.00 61.55 H new ATOM 0 HB3 GLU A 27 23.337 -9.955 -3.447 1.00 61.55 H new ATOM 0 HG2 GLU A 27 23.953 -9.827 -5.618 1.00 50.22 H new ATOM 0 HG3 GLU A 27 25.499 -9.320 -4.967 1.00 50.22 H new ATOM 411 N VAL A 28 24.240 -7.796 -2.571 1.00 5.45 N ATOM 412 CA VAL A 28 23.677 -6.570 -2.017 1.00 44.22 C ATOM 413 C VAL A 28 22.251 -6.349 -2.509 1.00 64.12 C ATOM 414 O VAL A 28 22.021 -5.619 -3.474 1.00 10.34 O ATOM 415 CB VAL A 28 24.532 -5.343 -2.387 1.00 0.12 C ATOM 416 CG1 VAL A 28 24.274 -4.200 -1.416 1.00 71.35 C ATOM 417 CG2 VAL A 28 26.008 -5.710 -2.411 1.00 1.14 C ATOM 0 H VAL A 28 24.244 -7.836 -3.590 1.00 5.45 H new ATOM 0 HA VAL A 28 23.670 -6.686 -0.933 1.00 44.22 H new ATOM 0 HB VAL A 28 24.247 -5.011 -3.385 1.00 0.12 H new ATOM 0 HG11 VAL A 28 24.887 -3.342 -1.693 1.00 71.35 H new ATOM 0 HG12 VAL A 28 23.221 -3.921 -1.454 1.00 71.35 H new ATOM 0 HG13 VAL A 28 24.530 -4.517 -0.405 1.00 71.35 H new ATOM 0 HG21 VAL A 28 26.597 -4.831 -2.674 1.00 1.14 H new ATOM 0 HG22 VAL A 28 26.310 -6.068 -1.427 1.00 1.14 H new ATOM 0 HG23 VAL A 28 26.176 -6.494 -3.149 1.00 1.14 H new ATOM 427 N THR A 29 21.295 -6.985 -1.840 1.00 20.23 N ATOM 428 CA THR A 29 19.891 -6.859 -2.209 1.00 33.45 C ATOM 429 C THR A 29 19.339 -5.494 -1.814 1.00 72.30 C ATOM 430 O THR A 29 18.319 -5.051 -2.342 1.00 65.24 O ATOM 431 CB THR A 29 19.036 -7.957 -1.547 1.00 53.22 C ATOM 432 OG1 THR A 29 17.723 -7.966 -2.119 1.00 13.23 O ATOM 433 CG2 THR A 29 18.939 -7.736 -0.045 1.00 41.02 C ATOM 0 H THR A 29 21.468 -7.593 -1.039 1.00 20.23 H new ATOM 0 HA THR A 29 19.837 -6.970 -3.292 1.00 33.45 H new ATOM 0 HB THR A 29 19.517 -8.919 -1.726 1.00 53.22 H new ATOM 0 HG1 THR A 29 17.496 -8.876 -2.403 1.00 13.23 H new ATOM 0 HG21 THR A 29 18.331 -8.523 0.400 1.00 41.02 H new ATOM 0 HG22 THR A 29 19.938 -7.758 0.391 1.00 41.02 H new ATOM 0 HG23 THR A 29 18.479 -6.767 0.151 1.00 41.02 H new ATOM 441 N GLN A 30 20.019 -4.833 -0.883 1.00 51.43 N ATOM 442 CA GLN A 30 19.595 -3.517 -0.419 1.00 22.02 C ATOM 443 C GLN A 30 20.057 -2.426 -1.379 1.00 1.21 C ATOM 444 O GLN A 30 20.725 -1.472 -0.978 1.00 23.33 O ATOM 445 CB GLN A 30 20.145 -3.246 0.983 1.00 63.14 C ATOM 446 CG GLN A 30 19.307 -3.857 2.094 1.00 54.41 C ATOM 447 CD GLN A 30 19.780 -5.242 2.488 1.00 12.34 C ATOM 448 OE1 GLN A 30 20.817 -5.712 2.021 1.00 23.43 O ATOM 449 NE2 GLN A 30 19.020 -5.903 3.353 1.00 34.32 N ATOM 0 H GLN A 30 20.865 -5.186 -0.436 1.00 51.43 H new ATOM 0 HA GLN A 30 18.506 -3.506 -0.383 1.00 22.02 H new ATOM 0 HB2 GLN A 30 21.160 -3.637 1.048 1.00 63.14 H new ATOM 0 HB3 GLN A 30 20.208 -2.169 1.137 1.00 63.14 H new ATOM 0 HG2 GLN A 30 19.337 -3.205 2.967 1.00 54.41 H new ATOM 0 HG3 GLN A 30 18.267 -3.910 1.772 1.00 54.41 H new ATOM 0 HE21 GLN A 30 18.168 -5.474 3.715 1.00 34.32 H new ATOM 0 HE22 GLN A 30 19.288 -6.839 3.656 1.00 34.32 H new ATOM 458 N THR A 31 19.697 -2.572 -2.650 1.00 42.24 N ATOM 459 CA THR A 31 20.076 -1.600 -3.668 1.00 52.04 C ATOM 460 C THR A 31 19.067 -1.579 -4.811 1.00 61.30 C ATOM 461 O THR A 31 19.370 -1.117 -5.911 1.00 62.43 O ATOM 462 CB THR A 31 21.475 -1.900 -4.239 1.00 33.20 C ATOM 463 OG1 THR A 31 21.558 -3.274 -4.634 1.00 61.10 O ATOM 464 CG2 THR A 31 22.555 -1.596 -3.212 1.00 32.22 C ATOM 0 H THR A 31 19.143 -3.354 -2.999 1.00 42.24 H new ATOM 0 HA THR A 31 20.092 -0.624 -3.182 1.00 52.04 H new ATOM 0 HB THR A 31 21.633 -1.262 -5.109 1.00 33.20 H new ATOM 0 HG1 THR A 31 21.726 -3.831 -3.846 1.00 61.10 H new ATOM 0 HG21 THR A 31 23.534 -1.816 -3.638 1.00 32.22 H new ATOM 0 HG22 THR A 31 22.508 -0.543 -2.935 1.00 32.22 H new ATOM 0 HG23 THR A 31 22.398 -2.212 -2.326 1.00 32.22 H new ATOM 472 N TYR A 32 17.867 -2.082 -4.543 1.00 51.34 N ATOM 473 CA TYR A 32 16.813 -2.122 -5.551 1.00 24.33 C ATOM 474 C TYR A 32 15.562 -1.402 -5.059 1.00 74.00 C ATOM 475 O TYR A 32 15.262 -1.397 -3.865 1.00 14.24 O ATOM 476 CB TYR A 32 16.475 -3.571 -5.907 1.00 1.11 C ATOM 477 CG TYR A 32 17.474 -4.214 -6.842 1.00 43.42 C ATOM 478 CD1 TYR A 32 18.753 -4.540 -6.406 1.00 74.44 C ATOM 479 CD2 TYR A 32 17.141 -4.493 -8.162 1.00 33.14 C ATOM 480 CE1 TYR A 32 19.669 -5.127 -7.257 1.00 62.14 C ATOM 481 CE2 TYR A 32 18.050 -5.081 -9.019 1.00 42.12 C ATOM 482 CZ TYR A 32 19.313 -5.396 -8.563 1.00 1.24 C ATOM 483 OH TYR A 32 20.223 -5.980 -9.414 1.00 75.12 O ATOM 0 H TYR A 32 17.600 -2.467 -3.637 1.00 51.34 H new ATOM 0 HA TYR A 32 17.177 -1.611 -6.442 1.00 24.33 H new ATOM 0 HB2 TYR A 32 16.418 -4.158 -4.990 1.00 1.11 H new ATOM 0 HB3 TYR A 32 15.487 -3.602 -6.367 1.00 1.11 H new ATOM 0 HD1 TYR A 32 19.035 -4.331 -5.385 1.00 74.44 H new ATOM 0 HD2 TYR A 32 16.154 -4.246 -8.524 1.00 33.14 H new ATOM 0 HE1 TYR A 32 20.659 -5.374 -6.902 1.00 62.14 H new ATOM 0 HE2 TYR A 32 17.773 -5.293 -10.041 1.00 42.12 H new ATOM 0 HH TYR A 32 19.814 -6.103 -10.296 1.00 75.12 H new ATOM 493 N THR A 33 14.832 -0.794 -5.990 1.00 25.12 N ATOM 494 CA THR A 33 13.613 -0.070 -5.653 1.00 43.14 C ATOM 495 C THR A 33 12.747 0.152 -6.888 1.00 45.42 C ATOM 496 O THR A 33 13.018 -0.397 -7.955 1.00 74.40 O ATOM 497 CB THR A 33 13.929 1.293 -5.010 1.00 1.34 C ATOM 498 OG1 THR A 33 15.300 1.335 -4.597 1.00 34.51 O ATOM 499 CG2 THR A 33 13.026 1.549 -3.812 1.00 72.44 C ATOM 0 H THR A 33 15.064 -0.789 -6.983 1.00 25.12 H new ATOM 0 HA THR A 33 13.068 -0.684 -4.936 1.00 43.14 H new ATOM 0 HB THR A 33 13.750 2.070 -5.753 1.00 1.34 H new ATOM 0 HG1 THR A 33 15.775 2.022 -5.109 1.00 34.51 H new ATOM 0 HG21 THR A 33 13.268 2.518 -3.374 1.00 72.44 H new ATOM 0 HG22 THR A 33 11.985 1.546 -4.134 1.00 72.44 H new ATOM 0 HG23 THR A 33 13.178 0.767 -3.068 1.00 72.44 H new ATOM 507 N GLY A 34 11.705 0.963 -6.736 1.00 53.42 N ATOM 508 CA GLY A 34 10.815 1.245 -7.848 1.00 23.50 C ATOM 509 C GLY A 34 9.408 0.737 -7.607 1.00 34.30 C ATOM 510 O GLY A 34 8.471 1.130 -8.302 1.00 50.21 O ATOM 0 H GLY A 34 11.461 1.430 -5.863 1.00 53.42 H new ATOM 0 HA2 GLY A 34 10.785 2.321 -8.022 1.00 23.50 H new ATOM 0 HA3 GLY A 34 11.213 0.787 -8.753 1.00 23.50 H new ATOM 514 N SER A 35 9.258 -0.141 -6.620 1.00 74.33 N ATOM 515 CA SER A 35 7.955 -0.708 -6.293 1.00 74.21 C ATOM 516 C SER A 35 6.948 0.393 -5.974 1.00 31.23 C ATOM 517 O SER A 35 5.784 0.318 -6.366 1.00 64.22 O ATOM 518 CB SER A 35 8.075 -1.665 -5.105 1.00 71.15 C ATOM 519 OG SER A 35 6.975 -1.524 -4.223 1.00 50.13 O ATOM 0 H SER A 35 10.023 -0.475 -6.033 1.00 74.33 H new ATOM 0 HA SER A 35 7.599 -1.262 -7.162 1.00 74.21 H new ATOM 0 HB2 SER A 35 8.127 -2.692 -5.465 1.00 71.15 H new ATOM 0 HB3 SER A 35 9.003 -1.469 -4.568 1.00 71.15 H new ATOM 0 HG SER A 35 6.796 -2.381 -3.784 1.00 50.13 H new ATOM 525 N ASN A 36 7.406 1.415 -5.258 1.00 74.10 N ATOM 526 CA ASN A 36 6.546 2.532 -4.884 1.00 52.24 C ATOM 527 C ASN A 36 7.322 3.571 -4.082 1.00 4.53 C ATOM 528 O ASN A 36 6.776 4.215 -3.187 1.00 40.51 O ATOM 529 CB ASN A 36 5.350 2.033 -4.071 1.00 71.33 C ATOM 530 CG ASN A 36 4.035 2.599 -4.570 1.00 55.11 C ATOM 531 OD1 ASN A 36 3.568 3.632 -4.089 1.00 21.33 O ATOM 532 ND2 ASN A 36 3.430 1.923 -5.540 1.00 55.41 N ATOM 0 H ASN A 36 8.367 1.493 -4.925 1.00 74.10 H new ATOM 0 HA ASN A 36 6.184 3.001 -5.799 1.00 52.24 H new ATOM 0 HB2 ASN A 36 5.314 0.944 -4.114 1.00 71.33 H new ATOM 0 HB3 ASN A 36 5.486 2.306 -3.025 1.00 71.33 H new ATOM 0 HD21 ASN A 36 2.542 2.255 -5.916 1.00 55.41 H new ATOM 0 HD22 ASN A 36 3.853 1.071 -5.909 1.00 55.41 H new ATOM 539 N GLY A 37 8.601 3.730 -4.409 1.00 64.31 N ATOM 540 CA GLY A 37 9.433 4.692 -3.710 1.00 14.12 C ATOM 541 C GLY A 37 10.315 5.488 -4.651 1.00 14.41 C ATOM 542 O GLY A 37 10.341 6.717 -4.598 1.00 13.22 O ATOM 0 H GLY A 37 9.076 3.209 -5.146 1.00 64.31 H new ATOM 0 HA2 GLY A 37 8.798 5.376 -3.147 1.00 14.12 H new ATOM 0 HA3 GLY A 37 10.058 4.169 -2.986 1.00 14.12 H new ATOM 546 N GLY A 38 11.041 4.786 -5.515 1.00 43.21 N ATOM 547 CA GLY A 38 11.920 5.452 -6.459 1.00 2.15 C ATOM 548 C GLY A 38 12.471 4.505 -7.506 1.00 20.21 C ATOM 549 O GLY A 38 11.841 4.276 -8.538 1.00 42.00 O ATOM 0 H GLY A 38 11.036 3.768 -5.578 1.00 43.21 H new ATOM 0 HA2 GLY A 38 11.375 6.257 -6.952 1.00 2.15 H new ATOM 0 HA3 GLY A 38 12.747 5.912 -5.918 1.00 2.15 H new ATOM 553 N ALA A 39 13.651 3.954 -7.241 1.00 60.30 N ATOM 554 CA ALA A 39 14.286 3.026 -8.169 1.00 23.14 C ATOM 555 C ALA A 39 15.580 2.467 -7.586 1.00 71.11 C ATOM 556 O ALA A 39 16.058 2.932 -6.551 1.00 73.30 O ATOM 557 CB ALA A 39 14.558 3.713 -9.499 1.00 34.41 C ATOM 0 H ALA A 39 14.186 4.134 -6.392 1.00 60.30 H new ATOM 0 HA ALA A 39 13.603 2.193 -8.336 1.00 23.14 H new ATOM 0 HB1 ALA A 39 15.032 3.008 -10.182 1.00 34.41 H new ATOM 0 HB2 ALA A 39 13.618 4.059 -9.929 1.00 34.41 H new ATOM 0 HB3 ALA A 39 15.219 4.565 -9.340 1.00 34.41 H new ATOM 563 N ASP A 40 16.141 1.467 -8.257 1.00 5.04 N ATOM 564 CA ASP A 40 17.381 0.845 -7.805 1.00 73.54 C ATOM 565 C ASP A 40 18.455 1.896 -7.550 1.00 5.53 C ATOM 566 O ASP A 40 18.718 2.751 -8.398 1.00 35.43 O ATOM 567 CB ASP A 40 17.875 -0.167 -8.841 1.00 41.51 C ATOM 568 CG ASP A 40 18.320 0.496 -10.130 1.00 73.23 C ATOM 569 OD1 ASP A 40 19.462 0.998 -10.176 1.00 44.13 O ATOM 570 OD2 ASP A 40 17.525 0.511 -11.094 1.00 25.04 O ATOM 0 H ASP A 40 15.758 1.070 -9.115 1.00 5.04 H new ATOM 0 HA ASP A 40 17.178 0.326 -6.868 1.00 73.54 H new ATOM 0 HB2 ASP A 40 18.706 -0.735 -8.422 1.00 41.51 H new ATOM 0 HB3 ASP A 40 17.079 -0.879 -9.058 1.00 41.51 H new ATOM 575 N LEU A 41 19.074 1.830 -6.376 1.00 60.40 N ATOM 576 CA LEU A 41 20.120 2.777 -6.007 1.00 63.15 C ATOM 577 C LEU A 41 20.671 2.467 -4.619 1.00 64.14 C ATOM 578 O LEU A 41 19.914 2.261 -3.672 1.00 15.11 O ATOM 579 CB LEU A 41 19.578 4.207 -6.046 1.00 33.44 C ATOM 580 CG LEU A 41 20.396 5.214 -6.855 1.00 32.32 C ATOM 581 CD1 LEU A 41 19.605 6.495 -7.068 1.00 41.10 C ATOM 582 CD2 LEU A 41 21.717 5.509 -6.159 1.00 54.34 C ATOM 0 H LEU A 41 18.869 1.130 -5.663 1.00 60.40 H new ATOM 0 HA LEU A 41 20.932 2.683 -6.729 1.00 63.15 H new ATOM 0 HB2 LEU A 41 18.567 4.180 -6.453 1.00 33.44 H new ATOM 0 HB3 LEU A 41 19.500 4.572 -5.022 1.00 33.44 H new ATOM 0 HG LEU A 41 20.612 4.779 -7.831 1.00 32.32 H new ATOM 0 HD11 LEU A 41 20.203 7.200 -7.646 1.00 41.10 H new ATOM 0 HD12 LEU A 41 18.686 6.270 -7.609 1.00 41.10 H new ATOM 0 HD13 LEU A 41 19.358 6.935 -6.102 1.00 41.10 H new ATOM 0 HD21 LEU A 41 22.286 6.228 -6.749 1.00 54.34 H new ATOM 0 HD22 LEU A 41 21.522 5.924 -5.170 1.00 54.34 H new ATOM 0 HD23 LEU A 41 22.290 4.587 -6.059 1.00 54.34 H new ATOM 594 N MET A 42 21.995 2.437 -4.507 1.00 3.41 N ATOM 595 CA MET A 42 22.648 2.156 -3.233 1.00 54.03 C ATOM 596 C MET A 42 22.109 3.066 -2.134 1.00 34.42 C ATOM 597 O MET A 42 22.339 4.274 -2.146 1.00 51.12 O ATOM 598 CB MET A 42 24.162 2.333 -3.361 1.00 52.34 C ATOM 599 CG MET A 42 24.838 1.227 -4.154 1.00 62.14 C ATOM 600 SD MET A 42 25.728 1.849 -5.594 1.00 74.44 S ATOM 601 CE MET A 42 27.424 1.587 -5.083 1.00 42.42 C ATOM 0 H MET A 42 22.637 2.604 -5.282 1.00 3.41 H new ATOM 0 HA MET A 42 22.432 1.122 -2.963 1.00 54.03 H new ATOM 0 HB2 MET A 42 24.368 3.290 -3.840 1.00 52.34 H new ATOM 0 HB3 MET A 42 24.600 2.374 -2.364 1.00 52.34 H new ATOM 0 HG2 MET A 42 25.532 0.693 -3.506 1.00 62.14 H new ATOM 0 HG3 MET A 42 24.087 0.507 -4.479 1.00 62.14 H new ATOM 0 HE1 MET A 42 28.098 1.924 -5.871 1.00 42.42 H new ATOM 0 HE2 MET A 42 27.621 2.152 -4.172 1.00 42.42 H new ATOM 0 HE3 MET A 42 27.587 0.526 -4.895 1.00 42.42 H new ATOM 611 N GLY A 43 21.389 2.476 -1.184 1.00 2.15 N ATOM 612 CA GLY A 43 20.829 3.249 -0.091 1.00 34.25 C ATOM 613 C GLY A 43 20.766 2.462 1.204 1.00 43.04 C ATOM 614 O GLY A 43 21.526 2.706 2.141 1.00 43.42 O ATOM 0 H GLY A 43 21.184 1.477 -1.152 1.00 2.15 H new ATOM 0 HA2 GLY A 43 21.430 4.145 0.061 1.00 34.25 H new ATOM 0 HA3 GLY A 43 19.826 3.580 -0.361 1.00 34.25 H new ATOM 618 N PRO A 44 19.841 1.493 1.268 1.00 51.15 N ATOM 619 CA PRO A 44 19.659 0.649 2.452 1.00 3.02 C ATOM 620 C PRO A 44 20.823 -0.314 2.662 1.00 1.52 C ATOM 621 O PRO A 44 20.902 -0.993 3.685 1.00 1.12 O ATOM 622 CB PRO A 44 18.375 -0.124 2.143 1.00 31.31 C ATOM 623 CG PRO A 44 18.296 -0.148 0.656 1.00 54.13 C ATOM 624 CD PRO A 44 18.901 1.147 0.188 1.00 22.31 C ATOM 0 HA PRO A 44 19.608 1.238 3.368 1.00 3.02 H new ATOM 0 HB2 PRO A 44 18.412 -1.133 2.554 1.00 31.31 H new ATOM 0 HB3 PRO A 44 17.504 0.366 2.578 1.00 31.31 H new ATOM 0 HG2 PRO A 44 18.839 -1.002 0.250 1.00 54.13 H new ATOM 0 HG3 PRO A 44 17.263 -0.239 0.322 1.00 54.13 H new ATOM 0 HD2 PRO A 44 19.412 1.030 -0.768 1.00 22.31 H new ATOM 0 HD3 PRO A 44 18.143 1.919 0.052 1.00 22.31 H new ATOM 632 N ALA A 45 21.725 -0.366 1.687 1.00 32.12 N ATOM 633 CA ALA A 45 22.886 -1.244 1.767 1.00 12.30 C ATOM 634 C ALA A 45 24.074 -0.526 2.399 1.00 32.41 C ATOM 635 O ALA A 45 24.731 -1.061 3.293 1.00 54.21 O ATOM 636 CB ALA A 45 23.253 -1.760 0.384 1.00 45.33 C ATOM 0 H ALA A 45 21.674 0.189 0.833 1.00 32.12 H new ATOM 0 HA ALA A 45 22.628 -2.091 2.402 1.00 12.30 H new ATOM 0 HB1 ALA A 45 24.122 -2.414 0.458 1.00 45.33 H new ATOM 0 HB2 ALA A 45 22.413 -2.317 -0.031 1.00 45.33 H new ATOM 0 HB3 ALA A 45 23.488 -0.918 -0.268 1.00 45.33 H new ATOM 642 N PHE A 46 24.345 0.687 1.929 1.00 61.40 N ATOM 643 CA PHE A 46 25.456 1.477 2.447 1.00 32.44 C ATOM 644 C PHE A 46 25.066 2.176 3.746 1.00 12.41 C ATOM 645 O PHE A 46 25.904 2.398 4.620 1.00 55.11 O ATOM 646 CB PHE A 46 25.901 2.511 1.411 1.00 20.14 C ATOM 647 CG PHE A 46 27.392 2.595 1.251 1.00 0.54 C ATOM 648 CD1 PHE A 46 28.141 3.441 2.054 1.00 23.52 C ATOM 649 CD2 PHE A 46 28.044 1.830 0.299 1.00 64.33 C ATOM 650 CE1 PHE A 46 29.513 3.521 1.908 1.00 23.23 C ATOM 651 CE2 PHE A 46 29.416 1.905 0.149 1.00 44.55 C ATOM 652 CZ PHE A 46 30.152 2.751 0.955 1.00 12.53 C ATOM 0 H PHE A 46 23.811 1.144 1.190 1.00 61.40 H new ATOM 0 HA PHE A 46 26.286 0.801 2.654 1.00 32.44 H new ATOM 0 HB2 PHE A 46 25.453 2.265 0.448 1.00 20.14 H new ATOM 0 HB3 PHE A 46 25.519 3.490 1.699 1.00 20.14 H new ATOM 0 HD1 PHE A 46 27.647 4.044 2.802 1.00 23.52 H new ATOM 0 HD2 PHE A 46 27.474 1.167 -0.334 1.00 64.33 H new ATOM 0 HE1 PHE A 46 30.086 4.185 2.539 1.00 23.23 H new ATOM 0 HE2 PHE A 46 29.912 1.303 -0.598 1.00 44.55 H new ATOM 0 HZ PHE A 46 31.224 2.811 0.841 1.00 12.53 H new ATOM 662 N ALA A 47 23.788 2.522 3.864 1.00 1.33 N ATOM 663 CA ALA A 47 23.286 3.195 5.056 1.00 51.43 C ATOM 664 C ALA A 47 23.181 2.228 6.230 1.00 63.02 C ATOM 665 O ALA A 47 23.487 2.583 7.368 1.00 64.23 O ATOM 666 CB ALA A 47 21.933 3.832 4.772 1.00 65.13 C ATOM 0 H ALA A 47 23.082 2.347 3.149 1.00 1.33 H new ATOM 0 HA ALA A 47 23.995 3.978 5.326 1.00 51.43 H new ATOM 0 HB1 ALA A 47 21.570 4.331 5.671 1.00 65.13 H new ATOM 0 HB2 ALA A 47 22.036 4.561 3.968 1.00 65.13 H new ATOM 0 HB3 ALA A 47 21.223 3.061 4.473 1.00 65.13 H new ATOM 672 N ALA A 48 22.746 1.005 5.946 1.00 65.33 N ATOM 673 CA ALA A 48 22.603 -0.014 6.978 1.00 11.03 C ATOM 674 C ALA A 48 23.881 -0.833 7.123 1.00 1.33 C ATOM 675 O ALA A 48 24.058 -1.557 8.102 1.00 45.21 O ATOM 676 CB ALA A 48 21.424 -0.923 6.663 1.00 64.15 C ATOM 0 H ALA A 48 22.486 0.696 5.009 1.00 65.33 H new ATOM 0 HA ALA A 48 22.416 0.489 7.927 1.00 11.03 H new ATOM 0 HB1 ALA A 48 21.329 -1.679 7.442 1.00 64.15 H new ATOM 0 HB2 ALA A 48 20.510 -0.331 6.619 1.00 64.15 H new ATOM 0 HB3 ALA A 48 21.587 -1.411 5.702 1.00 64.15 H new ATOM 682 N GLY A 49 24.770 -0.713 6.141 1.00 32.24 N ATOM 683 CA GLY A 49 26.020 -1.449 6.179 1.00 42.10 C ATOM 684 C GLY A 49 25.890 -2.843 5.598 1.00 3.10 C ATOM 685 O GLY A 49 26.853 -3.611 5.587 1.00 31.42 O ATOM 0 H GLY A 49 24.647 -0.120 5.321 1.00 32.24 H new ATOM 0 HA2 GLY A 49 26.780 -0.897 5.625 1.00 42.10 H new ATOM 0 HA3 GLY A 49 26.365 -1.519 7.210 1.00 42.10 H new ATOM 689 N LEU A 50 24.697 -3.172 5.115 1.00 43.10 N ATOM 690 CA LEU A 50 24.444 -4.484 4.531 1.00 71.42 C ATOM 691 C LEU A 50 25.352 -4.731 3.330 1.00 10.42 C ATOM 692 O LEU A 50 25.253 -4.044 2.313 1.00 11.23 O ATOM 693 CB LEU A 50 22.978 -4.602 4.109 1.00 63.22 C ATOM 694 CG LEU A 50 22.001 -5.051 5.196 1.00 71.14 C ATOM 695 CD1 LEU A 50 20.792 -4.129 5.241 1.00 63.15 C ATOM 696 CD2 LEU A 50 21.567 -6.491 4.961 1.00 3.24 C ATOM 0 H LEU A 50 23.890 -2.548 5.116 1.00 43.10 H new ATOM 0 HA LEU A 50 24.660 -5.238 5.287 1.00 71.42 H new ATOM 0 HB2 LEU A 50 22.650 -3.633 3.731 1.00 63.22 H new ATOM 0 HB3 LEU A 50 22.915 -5.306 3.279 1.00 63.22 H new ATOM 0 HG LEU A 50 22.509 -4.998 6.159 1.00 71.14 H new ATOM 0 HD11 LEU A 50 20.108 -4.464 6.020 1.00 63.15 H new ATOM 0 HD12 LEU A 50 21.118 -3.112 5.457 1.00 63.15 H new ATOM 0 HD13 LEU A 50 20.283 -4.150 4.278 1.00 63.15 H new ATOM 0 HD21 LEU A 50 20.872 -6.794 5.744 1.00 3.24 H new ATOM 0 HD22 LEU A 50 21.077 -6.570 3.991 1.00 3.24 H new ATOM 0 HD23 LEU A 50 22.441 -7.142 4.980 1.00 3.24 H new ATOM 708 N ARG A 51 26.235 -5.716 3.455 1.00 71.11 N ATOM 709 CA ARG A 51 27.160 -6.054 2.380 1.00 52.23 C ATOM 710 C ARG A 51 27.373 -7.563 2.300 1.00 4.51 C ATOM 711 O ARG A 51 26.827 -8.321 3.102 1.00 42.33 O ATOM 712 CB ARG A 51 28.501 -5.349 2.592 1.00 52.45 C ATOM 713 CG ARG A 51 28.808 -4.295 1.540 1.00 71.44 C ATOM 714 CD ARG A 51 30.305 -4.148 1.319 1.00 23.13 C ATOM 715 NE ARG A 51 30.612 -3.567 0.015 1.00 61.52 N ATOM 716 CZ ARG A 51 31.807 -3.644 -0.561 1.00 73.21 C ATOM 717 NH1 ARG A 51 32.801 -4.274 0.049 1.00 62.22 N ATOM 718 NH2 ARG A 51 32.008 -3.091 -1.750 1.00 41.50 N ATOM 0 H ARG A 51 26.329 -6.294 4.290 1.00 71.11 H new ATOM 0 HA ARG A 51 26.724 -5.716 1.440 1.00 52.23 H new ATOM 0 HB2 ARG A 51 28.504 -4.880 3.576 1.00 52.45 H new ATOM 0 HB3 ARG A 51 29.297 -6.093 2.592 1.00 52.45 H new ATOM 0 HG2 ARG A 51 28.325 -4.565 0.601 1.00 71.44 H new ATOM 0 HG3 ARG A 51 28.389 -3.338 1.850 1.00 71.44 H new ATOM 0 HD2 ARG A 51 30.727 -3.520 2.104 1.00 23.13 H new ATOM 0 HD3 ARG A 51 30.781 -5.125 1.402 1.00 23.13 H new ATOM 0 HE ARG A 51 29.869 -3.075 -0.481 1.00 61.52 H new ATOM 0 HH11 ARG A 51 32.650 -4.701 0.963 1.00 62.22 H new ATOM 0 HH12 ARG A 51 33.717 -4.332 -0.395 1.00 62.22 H new ATOM 0 HH21 ARG A 51 31.245 -2.606 -2.223 1.00 41.50 H new ATOM 0 HH22 ARG A 51 32.926 -3.150 -2.192 1.00 41.50 H new ATOM 732 N VAL A 52 28.171 -7.992 1.327 1.00 2.43 N ATOM 733 CA VAL A 52 28.458 -9.409 1.143 1.00 74.32 C ATOM 734 C VAL A 52 29.010 -10.029 2.421 1.00 20.24 C ATOM 735 O VAL A 52 30.035 -9.592 2.943 1.00 31.32 O ATOM 736 CB VAL A 52 29.465 -9.634 -0.001 1.00 31.35 C ATOM 737 CG1 VAL A 52 28.839 -9.282 -1.341 1.00 55.01 C ATOM 738 CG2 VAL A 52 30.729 -8.822 0.236 1.00 22.34 C ATOM 0 H VAL A 52 28.630 -7.378 0.654 1.00 2.43 H new ATOM 0 HA VAL A 52 27.515 -9.892 0.887 1.00 74.32 H new ATOM 0 HB VAL A 52 29.736 -10.689 -0.021 1.00 31.35 H new ATOM 0 HG11 VAL A 52 29.565 -9.447 -2.137 1.00 55.01 H new ATOM 0 HG12 VAL A 52 27.965 -9.911 -1.511 1.00 55.01 H new ATOM 0 HG13 VAL A 52 28.537 -8.235 -1.338 1.00 55.01 H new ATOM 0 HG21 VAL A 52 31.430 -8.993 -0.581 1.00 22.34 H new ATOM 0 HG22 VAL A 52 30.477 -7.762 0.283 1.00 22.34 H new ATOM 0 HG23 VAL A 52 31.187 -9.128 1.176 1.00 22.34 H new ATOM 748 N GLY A 53 28.323 -11.052 2.922 1.00 41.13 N ATOM 749 CA GLY A 53 28.760 -11.716 4.135 1.00 24.45 C ATOM 750 C GLY A 53 27.845 -11.437 5.311 1.00 23.12 C ATOM 751 O GLY A 53 28.187 -11.733 6.456 1.00 1.44 O ATOM 0 H GLY A 53 27.472 -11.432 2.509 1.00 41.13 H new ATOM 0 HA2 GLY A 53 28.805 -12.791 3.961 1.00 24.45 H new ATOM 0 HA3 GLY A 53 29.771 -11.390 4.380 1.00 24.45 H new ATOM 755 N ASP A 54 26.680 -10.865 5.029 1.00 42.10 N ATOM 756 CA ASP A 54 25.713 -10.545 6.072 1.00 11.23 C ATOM 757 C ASP A 54 24.580 -11.566 6.094 1.00 15.44 C ATOM 758 O ASP A 54 23.986 -11.870 5.060 1.00 24.00 O ATOM 759 CB ASP A 54 25.147 -9.140 5.859 1.00 73.10 C ATOM 760 CG ASP A 54 25.970 -8.073 6.552 1.00 10.55 C ATOM 761 OD1 ASP A 54 26.982 -7.631 5.969 1.00 42.10 O ATOM 762 OD2 ASP A 54 25.602 -7.678 7.678 1.00 15.13 O ATOM 0 H ASP A 54 26.382 -10.613 4.086 1.00 42.10 H new ATOM 0 HA ASP A 54 26.227 -10.579 7.033 1.00 11.23 H new ATOM 0 HB2 ASP A 54 25.106 -8.926 4.791 1.00 73.10 H new ATOM 0 HB3 ASP A 54 24.123 -9.104 6.231 1.00 73.10 H new ATOM 767 N GLN A 55 24.286 -12.091 7.280 1.00 52.45 N ATOM 768 CA GLN A 55 23.225 -13.079 7.435 1.00 12.40 C ATOM 769 C GLN A 55 21.913 -12.411 7.834 1.00 41.50 C ATOM 770 O GLN A 55 21.837 -11.730 8.858 1.00 31.42 O ATOM 771 CB GLN A 55 23.619 -14.121 8.483 1.00 62.13 C ATOM 772 CG GLN A 55 24.830 -14.952 8.089 1.00 53.15 C ATOM 773 CD GLN A 55 25.139 -16.045 9.092 1.00 31.30 C ATOM 774 OE1 GLN A 55 25.833 -15.816 10.083 1.00 32.11 O ATOM 775 NE2 GLN A 55 24.624 -17.243 8.840 1.00 20.12 N ATOM 0 H GLN A 55 24.767 -11.849 8.146 1.00 52.45 H new ATOM 0 HA GLN A 55 23.082 -13.575 6.475 1.00 12.40 H new ATOM 0 HB2 GLN A 55 23.827 -13.615 9.426 1.00 62.13 H new ATOM 0 HB3 GLN A 55 22.773 -14.786 8.658 1.00 62.13 H new ATOM 0 HG2 GLN A 55 24.655 -15.400 7.111 1.00 53.15 H new ATOM 0 HG3 GLN A 55 25.697 -14.299 7.990 1.00 53.15 H new ATOM 0 HE21 GLN A 55 24.054 -17.388 8.006 1.00 20.12 H new ATOM 0 HE22 GLN A 55 24.798 -18.018 9.480 1.00 20.12 H new ATOM 784 N LEU A 56 20.883 -12.608 7.019 1.00 33.02 N ATOM 785 CA LEU A 56 19.573 -12.024 7.287 1.00 72.22 C ATOM 786 C LEU A 56 18.734 -12.948 8.164 1.00 72.12 C ATOM 787 O LEU A 56 18.232 -13.973 7.702 1.00 53.10 O ATOM 788 CB LEU A 56 18.840 -11.744 5.974 1.00 54.02 C ATOM 789 CG LEU A 56 18.764 -10.278 5.547 1.00 43.41 C ATOM 790 CD1 LEU A 56 18.069 -10.149 4.201 1.00 52.34 C ATOM 791 CD2 LEU A 56 18.044 -9.451 6.603 1.00 64.15 C ATOM 0 H LEU A 56 20.929 -13.167 6.167 1.00 33.02 H new ATOM 0 HA LEU A 56 19.723 -11.085 7.820 1.00 72.22 H new ATOM 0 HB2 LEU A 56 19.330 -12.308 5.180 1.00 54.02 H new ATOM 0 HB3 LEU A 56 17.824 -12.130 6.059 1.00 54.02 H new ATOM 0 HG LEU A 56 19.780 -9.896 5.446 1.00 43.41 H new ATOM 0 HD11 LEU A 56 18.024 -9.098 3.914 1.00 52.34 H new ATOM 0 HD12 LEU A 56 18.626 -10.708 3.449 1.00 52.34 H new ATOM 0 HD13 LEU A 56 17.057 -10.548 4.274 1.00 52.34 H new ATOM 0 HD21 LEU A 56 17.999 -8.410 6.282 1.00 64.15 H new ATOM 0 HD22 LEU A 56 17.032 -9.833 6.737 1.00 64.15 H new ATOM 0 HD23 LEU A 56 18.584 -9.517 7.547 1.00 64.15 H new ATOM 803 N VAL A 57 18.584 -12.577 9.432 1.00 61.45 N ATOM 804 CA VAL A 57 17.803 -13.371 10.373 1.00 50.31 C ATOM 805 C VAL A 57 16.360 -12.882 10.439 1.00 64.12 C ATOM 806 O VAL A 57 15.429 -13.679 10.556 1.00 42.20 O ATOM 807 CB VAL A 57 18.414 -13.326 11.786 1.00 35.23 C ATOM 808 CG1 VAL A 57 17.785 -14.390 12.673 1.00 12.15 C ATOM 809 CG2 VAL A 57 19.923 -13.500 11.720 1.00 63.13 C ATOM 0 H VAL A 57 18.993 -11.732 9.831 1.00 61.45 H new ATOM 0 HA VAL A 57 17.819 -14.399 10.011 1.00 50.31 H new ATOM 0 HB VAL A 57 18.203 -12.350 12.223 1.00 35.23 H new ATOM 0 HG11 VAL A 57 18.229 -14.344 13.667 1.00 12.15 H new ATOM 0 HG12 VAL A 57 16.712 -14.215 12.746 1.00 12.15 H new ATOM 0 HG13 VAL A 57 17.963 -15.375 12.242 1.00 12.15 H new ATOM 0 HG21 VAL A 57 20.338 -13.466 12.727 1.00 63.13 H new ATOM 0 HG22 VAL A 57 20.159 -14.461 11.263 1.00 63.13 H new ATOM 0 HG23 VAL A 57 20.356 -12.698 11.122 1.00 63.13 H new ATOM 819 N ARG A 58 16.183 -11.567 10.362 1.00 33.22 N ATOM 820 CA ARG A 58 14.853 -10.972 10.414 1.00 50.32 C ATOM 821 C ARG A 58 14.294 -11.012 11.833 1.00 1.30 C ATOM 822 O ARG A 58 13.995 -9.973 12.423 1.00 31.32 O ATOM 823 CB ARG A 58 13.906 -11.703 9.460 1.00 0.05 C ATOM 824 CG ARG A 58 13.052 -10.771 8.616 1.00 22.03 C ATOM 825 CD ARG A 58 11.572 -10.942 8.921 1.00 23.12 C ATOM 826 NE ARG A 58 11.228 -10.454 10.254 1.00 61.30 N ATOM 827 CZ ARG A 58 10.005 -10.521 10.768 1.00 52.44 C ATOM 828 NH1 ARG A 58 9.015 -11.052 10.064 1.00 53.11 N ATOM 829 NH2 ARG A 58 9.770 -10.055 11.988 1.00 62.21 N ATOM 0 H ARG A 58 16.943 -10.894 10.263 1.00 33.22 H new ATOM 0 HA ARG A 58 14.936 -9.930 10.105 1.00 50.32 H new ATOM 0 HB2 ARG A 58 14.492 -12.343 8.800 1.00 0.05 H new ATOM 0 HB3 ARG A 58 13.253 -12.356 10.039 1.00 0.05 H new ATOM 0 HG2 ARG A 58 13.346 -9.738 8.802 1.00 22.03 H new ATOM 0 HG3 ARG A 58 13.232 -10.968 7.559 1.00 22.03 H new ATOM 0 HD2 ARG A 58 10.984 -10.406 8.176 1.00 23.12 H new ATOM 0 HD3 ARG A 58 11.305 -11.996 8.840 1.00 23.12 H new ATOM 0 HE ARG A 58 11.967 -10.039 10.821 1.00 61.30 H new ATOM 0 HH11 ARG A 58 9.192 -11.410 9.125 1.00 53.11 H new ATOM 0 HH12 ARG A 58 8.077 -11.102 10.461 1.00 53.11 H new ATOM 0 HH21 ARG A 58 10.529 -9.645 12.532 1.00 62.21 H new ATOM 0 HH22 ARG A 58 8.830 -10.107 12.382 1.00 62.21 H new ATOM 843 N PHE A 59 14.155 -12.217 12.375 1.00 23.10 N ATOM 844 CA PHE A 59 13.631 -12.393 13.724 1.00 11.23 C ATOM 845 C PHE A 59 14.761 -12.647 14.718 1.00 14.41 C ATOM 846 O PHE A 59 15.807 -13.187 14.360 1.00 35.33 O ATOM 847 CB PHE A 59 12.635 -13.554 13.760 1.00 53.31 C ATOM 848 CG PHE A 59 11.886 -13.662 15.058 1.00 43.33 C ATOM 849 CD1 PHE A 59 11.310 -12.542 15.636 1.00 41.14 C ATOM 850 CD2 PHE A 59 11.758 -14.883 15.699 1.00 4.04 C ATOM 851 CE1 PHE A 59 10.622 -12.639 16.830 1.00 14.50 C ATOM 852 CE2 PHE A 59 11.071 -14.986 16.894 1.00 54.20 C ATOM 853 CZ PHE A 59 10.501 -13.862 17.459 1.00 34.13 C ATOM 0 H PHE A 59 14.398 -13.087 11.900 1.00 23.10 H new ATOM 0 HA PHE A 59 13.119 -11.475 14.010 1.00 11.23 H new ATOM 0 HB2 PHE A 59 11.920 -13.434 12.946 1.00 53.31 H new ATOM 0 HB3 PHE A 59 13.170 -14.487 13.580 1.00 53.31 H new ATOM 0 HD1 PHE A 59 11.400 -11.583 15.148 1.00 41.14 H new ATOM 0 HD2 PHE A 59 12.200 -15.765 15.260 1.00 4.04 H new ATOM 0 HE1 PHE A 59 10.179 -11.758 17.271 1.00 14.50 H new ATOM 0 HE2 PHE A 59 10.980 -15.944 17.385 1.00 54.20 H new ATOM 0 HZ PHE A 59 9.961 -13.940 18.391 1.00 34.13 H new ATOM 863 N ALA A 60 14.541 -12.251 15.968 1.00 61.41 N ATOM 864 CA ALA A 60 15.539 -12.437 17.014 1.00 11.21 C ATOM 865 C ALA A 60 15.700 -13.912 17.364 1.00 33.31 C ATOM 866 O ALA A 60 16.548 -14.279 18.176 1.00 11.24 O ATOM 867 CB ALA A 60 15.161 -11.637 18.252 1.00 53.11 C ATOM 0 H ALA A 60 13.681 -11.800 16.280 1.00 61.41 H new ATOM 0 HA ALA A 60 16.495 -12.074 16.638 1.00 11.21 H new ATOM 0 HB1 ALA A 60 15.915 -11.785 19.025 1.00 53.11 H new ATOM 0 HB2 ALA A 60 15.105 -10.578 17.998 1.00 53.11 H new ATOM 0 HB3 ALA A 60 14.192 -11.974 18.621 1.00 53.11 H new ATOM 873 N GLY A 61 14.878 -14.756 16.746 1.00 44.43 N ATOM 874 CA GLY A 61 14.946 -16.182 17.006 1.00 14.32 C ATOM 875 C GLY A 61 16.242 -16.799 16.520 1.00 75.51 C ATOM 876 O GLY A 61 16.514 -17.972 16.778 1.00 32.15 O ATOM 0 H GLY A 61 14.167 -14.477 16.070 1.00 44.43 H new ATOM 0 HA2 GLY A 61 14.842 -16.358 18.077 1.00 14.32 H new ATOM 0 HA3 GLY A 61 14.106 -16.677 16.519 1.00 14.32 H new ATOM 880 N TYR A 62 17.042 -16.010 15.812 1.00 22.33 N ATOM 881 CA TYR A 62 18.315 -16.488 15.285 1.00 52.12 C ATOM 882 C TYR A 62 18.095 -17.466 14.134 1.00 2.54 C ATOM 883 O TYR A 62 18.866 -18.408 13.948 1.00 32.01 O ATOM 884 CB TYR A 62 19.130 -17.160 16.391 1.00 15.24 C ATOM 885 CG TYR A 62 20.568 -16.698 16.450 1.00 61.14 C ATOM 886 CD1 TYR A 62 21.442 -16.950 15.399 1.00 20.10 C ATOM 887 CD2 TYR A 62 21.054 -16.011 17.555 1.00 12.01 C ATOM 888 CE1 TYR A 62 22.757 -16.531 15.448 1.00 45.21 C ATOM 889 CE2 TYR A 62 22.367 -15.587 17.612 1.00 42.40 C ATOM 890 CZ TYR A 62 23.215 -15.849 16.556 1.00 21.12 C ATOM 891 OH TYR A 62 24.525 -15.429 16.610 1.00 75.43 O ATOM 0 H TYR A 62 16.832 -15.037 15.590 1.00 22.33 H new ATOM 0 HA TYR A 62 18.868 -15.628 14.907 1.00 52.12 H new ATOM 0 HB2 TYR A 62 18.654 -16.963 17.352 1.00 15.24 H new ATOM 0 HB3 TYR A 62 19.110 -18.239 16.241 1.00 15.24 H new ATOM 0 HD1 TYR A 62 21.087 -17.483 14.529 1.00 20.10 H new ATOM 0 HD2 TYR A 62 20.393 -15.805 18.384 1.00 12.01 H new ATOM 0 HE1 TYR A 62 23.423 -16.736 14.623 1.00 45.21 H new ATOM 0 HE2 TYR A 62 22.728 -15.053 18.479 1.00 42.40 H new ATOM 0 HH TYR A 62 25.115 -16.208 16.686 1.00 75.43 H new ATOM 901 N THR A 63 17.037 -17.234 13.363 1.00 3.12 N ATOM 902 CA THR A 63 16.714 -18.093 12.231 1.00 42.41 C ATOM 903 C THR A 63 15.822 -17.369 11.229 1.00 50.11 C ATOM 904 O THR A 63 14.959 -16.578 11.609 1.00 35.02 O ATOM 905 CB THR A 63 16.010 -19.384 12.688 1.00 25.33 C ATOM 906 OG1 THR A 63 15.463 -20.071 11.557 1.00 24.01 O ATOM 907 CG2 THR A 63 14.903 -19.074 13.684 1.00 51.32 C ATOM 0 H THR A 63 16.389 -16.458 13.502 1.00 3.12 H new ATOM 0 HA THR A 63 17.658 -18.353 11.752 1.00 42.41 H new ATOM 0 HB THR A 63 16.748 -20.020 13.176 1.00 25.33 H new ATOM 0 HG1 THR A 63 15.019 -20.892 11.856 1.00 24.01 H new ATOM 0 HG21 THR A 63 14.421 -20.002 13.992 1.00 51.32 H new ATOM 0 HG22 THR A 63 15.327 -18.578 14.557 1.00 51.32 H new ATOM 0 HG23 THR A 63 14.167 -18.420 13.218 1.00 51.32 H new ATOM 915 N VAL A 64 16.035 -17.645 9.946 1.00 3.22 N ATOM 916 CA VAL A 64 15.249 -17.021 8.889 1.00 73.01 C ATOM 917 C VAL A 64 14.662 -18.069 7.949 1.00 5.42 C ATOM 918 O VAL A 64 15.157 -19.194 7.869 1.00 53.31 O ATOM 919 CB VAL A 64 16.096 -16.029 8.070 1.00 71.21 C ATOM 920 CG1 VAL A 64 17.090 -16.774 7.192 1.00 41.11 C ATOM 921 CG2 VAL A 64 15.200 -15.130 7.231 1.00 23.20 C ATOM 0 H VAL A 64 16.746 -18.297 9.614 1.00 3.22 H new ATOM 0 HA VAL A 64 14.438 -16.479 9.376 1.00 73.01 H new ATOM 0 HB VAL A 64 16.658 -15.400 8.761 1.00 71.21 H new ATOM 0 HG11 VAL A 64 17.680 -16.057 6.621 1.00 41.11 H new ATOM 0 HG12 VAL A 64 17.753 -17.371 7.818 1.00 41.11 H new ATOM 0 HG13 VAL A 64 16.551 -17.428 6.507 1.00 41.11 H new ATOM 0 HG21 VAL A 64 15.815 -14.435 6.659 1.00 23.20 H new ATOM 0 HG22 VAL A 64 14.610 -15.740 6.547 1.00 23.20 H new ATOM 0 HG23 VAL A 64 14.532 -14.569 7.885 1.00 23.20 H new ATOM 931 N THR A 65 13.605 -17.692 7.238 1.00 55.33 N ATOM 932 CA THR A 65 12.950 -18.598 6.303 1.00 34.22 C ATOM 933 C THR A 65 13.719 -18.684 4.990 1.00 53.01 C ATOM 934 O THR A 65 14.498 -19.612 4.776 1.00 33.24 O ATOM 935 CB THR A 65 11.504 -18.155 6.010 1.00 12.13 C ATOM 936 OG1 THR A 65 11.379 -16.740 6.190 1.00 3.32 O ATOM 937 CG2 THR A 65 10.522 -18.875 6.922 1.00 73.44 C ATOM 0 H THR A 65 13.184 -16.765 7.292 1.00 55.33 H new ATOM 0 HA THR A 65 12.932 -19.580 6.775 1.00 34.22 H new ATOM 0 HB THR A 65 11.272 -18.412 4.976 1.00 12.13 H new ATOM 0 HG1 THR A 65 10.435 -16.509 6.317 1.00 3.32 H new ATOM 0 HG21 THR A 65 9.508 -18.546 6.697 1.00 73.44 H new ATOM 0 HG22 THR A 65 10.599 -19.951 6.762 1.00 73.44 H new ATOM 0 HG23 THR A 65 10.755 -18.645 7.962 1.00 73.44 H new ATOM 945 N GLU A 66 13.495 -17.710 4.114 1.00 51.35 N ATOM 946 CA GLU A 66 14.168 -17.677 2.820 1.00 1.35 C ATOM 947 C GLU A 66 14.191 -16.260 2.255 1.00 52.42 C ATOM 948 O GLU A 66 13.781 -15.307 2.919 1.00 12.04 O ATOM 949 CB GLU A 66 13.475 -18.620 1.835 1.00 15.22 C ATOM 950 CG GLU A 66 12.086 -18.158 1.426 1.00 71.41 C ATOM 951 CD GLU A 66 11.018 -19.197 1.711 1.00 64.01 C ATOM 952 OE1 GLU A 66 11.268 -20.392 1.444 1.00 13.55 O ATOM 953 OE2 GLU A 66 9.935 -18.816 2.200 1.00 55.14 O ATOM 0 H GLU A 66 12.853 -16.934 4.276 1.00 51.35 H new ATOM 0 HA GLU A 66 15.196 -18.008 2.966 1.00 1.35 H new ATOM 0 HB2 GLU A 66 14.093 -18.719 0.943 1.00 15.22 H new ATOM 0 HB3 GLU A 66 13.402 -19.611 2.283 1.00 15.22 H new ATOM 0 HG2 GLU A 66 11.843 -17.237 1.956 1.00 71.41 H new ATOM 0 HG3 GLU A 66 12.084 -17.923 0.362 1.00 71.41 H new ATOM 960 N LEU A 67 14.673 -16.128 1.024 1.00 21.01 N ATOM 961 CA LEU A 67 14.750 -14.828 0.368 1.00 45.44 C ATOM 962 C LEU A 67 13.357 -14.272 0.093 1.00 34.34 C ATOM 963 O LEU A 67 13.135 -13.064 0.160 1.00 41.43 O ATOM 964 CB LEU A 67 15.533 -14.941 -0.942 1.00 4.14 C ATOM 965 CG LEU A 67 15.165 -16.119 -1.844 1.00 61.11 C ATOM 966 CD1 LEU A 67 14.624 -15.623 -3.176 1.00 2.41 C ATOM 967 CD2 LEU A 67 16.370 -17.023 -2.059 1.00 62.04 C ATOM 0 H LEU A 67 15.016 -16.906 0.460 1.00 21.01 H new ATOM 0 HA LEU A 67 15.269 -14.142 1.038 1.00 45.44 H new ATOM 0 HB2 LEU A 67 15.393 -14.019 -1.507 1.00 4.14 H new ATOM 0 HB3 LEU A 67 16.594 -15.010 -0.703 1.00 4.14 H new ATOM 0 HG LEU A 67 14.384 -16.699 -1.351 1.00 61.11 H new ATOM 0 HD11 LEU A 67 14.367 -16.476 -3.805 1.00 2.41 H new ATOM 0 HD12 LEU A 67 13.734 -15.018 -3.005 1.00 2.41 H new ATOM 0 HD13 LEU A 67 15.382 -15.020 -3.675 1.00 2.41 H new ATOM 0 HD21 LEU A 67 16.089 -17.856 -2.703 1.00 62.04 H new ATOM 0 HD22 LEU A 67 17.172 -16.454 -2.530 1.00 62.04 H new ATOM 0 HD23 LEU A 67 16.713 -17.407 -1.098 1.00 62.04 H new ATOM 979 N ALA A 68 12.420 -15.164 -0.213 1.00 13.22 N ATOM 980 CA ALA A 68 11.046 -14.763 -0.493 1.00 24.44 C ATOM 981 C ALA A 68 10.453 -13.984 0.676 1.00 31.10 C ATOM 982 O ALA A 68 9.663 -13.061 0.481 1.00 11.22 O ATOM 983 CB ALA A 68 10.193 -15.985 -0.803 1.00 4.43 C ATOM 0 H ALA A 68 12.587 -16.168 -0.273 1.00 13.22 H new ATOM 0 HA ALA A 68 11.054 -14.109 -1.365 1.00 24.44 H new ATOM 0 HB1 ALA A 68 9.170 -15.671 -1.010 1.00 4.43 H new ATOM 0 HB2 ALA A 68 10.598 -16.500 -1.674 1.00 4.43 H new ATOM 0 HB3 ALA A 68 10.199 -16.660 0.053 1.00 4.43 H new ATOM 989 N ALA A 69 10.838 -14.363 1.890 1.00 2.43 N ATOM 990 CA ALA A 69 10.345 -13.698 3.090 1.00 32.11 C ATOM 991 C ALA A 69 10.855 -12.263 3.172 1.00 31.31 C ATOM 992 O ALA A 69 10.091 -11.337 3.443 1.00 12.30 O ATOM 993 CB ALA A 69 10.754 -14.477 4.331 1.00 31.42 C ATOM 0 H ALA A 69 11.490 -15.127 2.069 1.00 2.43 H new ATOM 0 HA ALA A 69 9.257 -13.666 3.036 1.00 32.11 H new ATOM 0 HB1 ALA A 69 10.379 -13.969 5.219 1.00 31.42 H new ATOM 0 HB2 ALA A 69 10.335 -15.482 4.284 1.00 31.42 H new ATOM 0 HB3 ALA A 69 11.841 -14.539 4.380 1.00 31.42 H new ATOM 999 N PHE A 70 12.151 -12.087 2.937 1.00 11.31 N ATOM 1000 CA PHE A 70 12.763 -10.764 2.986 1.00 24.21 C ATOM 1001 C PHE A 70 12.277 -9.896 1.829 1.00 32.23 C ATOM 1002 O PHE A 70 12.127 -8.683 1.970 1.00 61.31 O ATOM 1003 CB PHE A 70 14.288 -10.883 2.943 1.00 63.20 C ATOM 1004 CG PHE A 70 14.988 -9.565 2.769 1.00 33.43 C ATOM 1005 CD1 PHE A 70 15.222 -8.742 3.859 1.00 41.35 C ATOM 1006 CD2 PHE A 70 15.411 -9.151 1.517 1.00 3.30 C ATOM 1007 CE1 PHE A 70 15.865 -7.528 3.701 1.00 33.32 C ATOM 1008 CE2 PHE A 70 16.055 -7.938 1.354 1.00 70.44 C ATOM 1009 CZ PHE A 70 16.283 -7.127 2.447 1.00 12.35 C ATOM 0 H PHE A 70 12.797 -12.843 2.711 1.00 11.31 H new ATOM 0 HA PHE A 70 12.468 -10.289 3.922 1.00 24.21 H new ATOM 0 HB2 PHE A 70 14.634 -11.350 3.865 1.00 63.20 H new ATOM 0 HB3 PHE A 70 14.570 -11.546 2.125 1.00 63.20 H new ATOM 0 HD1 PHE A 70 14.899 -9.052 4.842 1.00 41.35 H new ATOM 0 HD2 PHE A 70 15.236 -9.782 0.658 1.00 3.30 H new ATOM 0 HE1 PHE A 70 16.040 -6.894 4.557 1.00 33.32 H new ATOM 0 HE2 PHE A 70 16.379 -7.626 0.372 1.00 70.44 H new ATOM 0 HZ PHE A 70 16.787 -6.180 2.322 1.00 12.35 H new ATOM 1019 N ASN A 71 12.032 -10.528 0.686 1.00 45.34 N ATOM 1020 CA ASN A 71 11.564 -9.814 -0.497 1.00 10.24 C ATOM 1021 C ASN A 71 10.110 -9.383 -0.331 1.00 52.13 C ATOM 1022 O ASN A 71 9.705 -8.324 -0.813 1.00 21.12 O ATOM 1023 CB ASN A 71 11.709 -10.694 -1.740 1.00 13.40 C ATOM 1024 CG ASN A 71 11.518 -9.913 -3.026 1.00 73.01 C ATOM 1025 OD1 ASN A 71 10.988 -8.802 -3.018 1.00 11.20 O ATOM 1026 ND2 ASN A 71 11.950 -10.493 -4.140 1.00 33.23 N ATOM 0 H ASN A 71 12.150 -11.533 0.554 1.00 45.34 H new ATOM 0 HA ASN A 71 12.177 -8.921 -0.619 1.00 10.24 H new ATOM 0 HB2 ASN A 71 12.696 -11.156 -1.742 1.00 13.40 H new ATOM 0 HB3 ASN A 71 10.979 -11.502 -1.697 1.00 13.40 H new ATOM 0 HD21 ASN A 71 11.848 -10.016 -5.036 1.00 33.23 H new ATOM 0 HD22 ASN A 71 12.383 -11.415 -4.100 1.00 33.23 H new ATOM 1033 N THR A 72 9.327 -10.211 0.354 1.00 41.11 N ATOM 1034 CA THR A 72 7.918 -9.917 0.583 1.00 42.21 C ATOM 1035 C THR A 72 7.750 -8.777 1.581 1.00 55.12 C ATOM 1036 O THR A 72 6.981 -7.844 1.349 1.00 53.24 O ATOM 1037 CB THR A 72 7.163 -11.155 1.103 1.00 42.23 C ATOM 1038 OG1 THR A 72 7.232 -12.211 0.139 1.00 63.34 O ATOM 1039 CG2 THR A 72 5.708 -10.819 1.391 1.00 33.33 C ATOM 0 H THR A 72 9.645 -11.091 0.760 1.00 41.11 H new ATOM 0 HA THR A 72 7.497 -9.621 -0.378 1.00 42.21 H new ATOM 0 HB THR A 72 7.635 -11.479 2.030 1.00 42.23 H new ATOM 0 HG1 THR A 72 8.168 -12.461 -0.006 1.00 63.34 H new ATOM 0 HG21 THR A 72 5.195 -11.708 1.757 1.00 33.33 H new ATOM 0 HG22 THR A 72 5.658 -10.035 2.146 1.00 33.33 H new ATOM 0 HG23 THR A 72 5.227 -10.473 0.476 1.00 33.33 H new ATOM 1047 N VAL A 73 8.474 -8.858 2.693 1.00 54.34 N ATOM 1048 CA VAL A 73 8.405 -7.831 3.726 1.00 64.23 C ATOM 1049 C VAL A 73 8.871 -6.482 3.191 1.00 2.41 C ATOM 1050 O VAL A 73 8.247 -5.452 3.446 1.00 10.40 O ATOM 1051 CB VAL A 73 9.261 -8.209 4.950 1.00 74.03 C ATOM 1052 CG1 VAL A 73 8.664 -9.410 5.668 1.00 12.53 C ATOM 1053 CG2 VAL A 73 10.696 -8.488 4.531 1.00 42.34 C ATOM 0 H VAL A 73 9.115 -9.624 2.901 1.00 54.34 H new ATOM 0 HA VAL A 73 7.361 -7.757 4.030 1.00 64.23 H new ATOM 0 HB VAL A 73 9.266 -7.367 5.642 1.00 74.03 H new ATOM 0 HG11 VAL A 73 9.282 -9.663 6.530 1.00 12.53 H new ATOM 0 HG12 VAL A 73 7.655 -9.169 6.003 1.00 12.53 H new ATOM 0 HG13 VAL A 73 8.627 -10.260 4.986 1.00 12.53 H new ATOM 0 HG21 VAL A 73 11.286 -8.753 5.408 1.00 42.34 H new ATOM 0 HG22 VAL A 73 10.713 -9.313 3.819 1.00 42.34 H new ATOM 0 HG23 VAL A 73 11.119 -7.598 4.065 1.00 42.34 H new ATOM 1063 N VAL A 74 9.973 -6.494 2.447 1.00 32.22 N ATOM 1064 CA VAL A 74 10.522 -5.271 1.874 1.00 24.23 C ATOM 1065 C VAL A 74 9.622 -4.729 0.770 1.00 42.20 C ATOM 1066 O VAL A 74 9.447 -3.518 0.636 1.00 23.04 O ATOM 1067 CB VAL A 74 11.934 -5.504 1.303 1.00 12.01 C ATOM 1068 CG1 VAL A 74 12.438 -4.253 0.599 1.00 31.50 C ATOM 1069 CG2 VAL A 74 12.891 -5.927 2.407 1.00 65.35 C ATOM 0 H VAL A 74 10.503 -7.337 2.227 1.00 32.22 H new ATOM 0 HA VAL A 74 10.580 -4.541 2.681 1.00 24.23 H new ATOM 0 HB VAL A 74 11.883 -6.309 0.570 1.00 12.01 H new ATOM 0 HG11 VAL A 74 13.437 -4.436 0.202 1.00 31.50 H new ATOM 0 HG12 VAL A 74 11.763 -3.999 -0.219 1.00 31.50 H new ATOM 0 HG13 VAL A 74 12.476 -3.426 1.309 1.00 31.50 H new ATOM 0 HG21 VAL A 74 13.884 -6.087 1.986 1.00 65.35 H new ATOM 0 HG22 VAL A 74 12.940 -5.145 3.165 1.00 65.35 H new ATOM 0 HG23 VAL A 74 12.536 -6.852 2.862 1.00 65.35 H new ATOM 1079 N ALA A 75 9.053 -5.634 -0.019 1.00 54.44 N ATOM 1080 CA ALA A 75 8.168 -5.246 -1.111 1.00 72.21 C ATOM 1081 C ALA A 75 6.849 -4.694 -0.580 1.00 5.03 C ATOM 1082 O ALA A 75 6.345 -3.685 -1.072 1.00 52.14 O ATOM 1083 CB ALA A 75 7.913 -6.432 -2.030 1.00 45.33 C ATOM 0 H ALA A 75 9.189 -6.640 0.077 1.00 54.44 H new ATOM 0 HA ALA A 75 8.659 -4.457 -1.680 1.00 72.21 H new ATOM 0 HB1 ALA A 75 7.251 -6.128 -2.841 1.00 45.33 H new ATOM 0 HB2 ALA A 75 8.859 -6.781 -2.445 1.00 45.33 H new ATOM 0 HB3 ALA A 75 7.447 -7.238 -1.463 1.00 45.33 H new ATOM 1089 N ARG A 76 6.296 -5.362 0.427 1.00 25.03 N ATOM 1090 CA ARG A 76 5.035 -4.939 1.024 1.00 44.41 C ATOM 1091 C ARG A 76 5.234 -3.701 1.894 1.00 41.10 C ATOM 1092 O ARG A 76 4.280 -2.986 2.202 1.00 31.13 O ATOM 1093 CB ARG A 76 4.436 -6.071 1.859 1.00 21.53 C ATOM 1094 CG ARG A 76 3.991 -7.267 1.033 1.00 20.34 C ATOM 1095 CD ARG A 76 3.031 -6.855 -0.072 1.00 22.04 C ATOM 1096 NE ARG A 76 2.028 -7.883 -0.337 1.00 65.04 N ATOM 1097 CZ ARG A 76 0.869 -7.641 -0.940 1.00 5.13 C ATOM 1098 NH1 ARG A 76 0.569 -6.412 -1.337 1.00 30.12 N ATOM 1099 NH2 ARG A 76 0.009 -8.629 -1.146 1.00 75.22 N ATOM 0 H ARG A 76 6.702 -6.199 0.847 1.00 25.03 H new ATOM 0 HA ARG A 76 4.346 -4.689 0.217 1.00 44.41 H new ATOM 0 HB2 ARG A 76 5.173 -6.400 2.592 1.00 21.53 H new ATOM 0 HB3 ARG A 76 3.582 -5.687 2.417 1.00 21.53 H new ATOM 0 HG2 ARG A 76 4.863 -7.753 0.596 1.00 20.34 H new ATOM 0 HG3 ARG A 76 3.509 -7.999 1.681 1.00 20.34 H new ATOM 0 HD2 ARG A 76 2.533 -5.926 0.208 1.00 22.04 H new ATOM 0 HD3 ARG A 76 3.593 -6.653 -0.984 1.00 22.04 H new ATOM 0 HE ARG A 76 2.228 -8.839 -0.043 1.00 65.04 H new ATOM 0 HH11 ARG A 76 1.229 -5.650 -1.180 1.00 30.12 H new ATOM 0 HH12 ARG A 76 -0.321 -6.229 -1.800 1.00 30.12 H new ATOM 0 HH21 ARG A 76 0.237 -9.575 -0.841 1.00 75.22 H new ATOM 0 HH22 ARG A 76 -0.881 -8.443 -1.609 1.00 75.22 H new ATOM 1113 N HIS A 77 6.480 -3.454 2.287 1.00 14.12 N ATOM 1114 CA HIS A 77 6.804 -2.303 3.122 1.00 53.51 C ATOM 1115 C HIS A 77 6.995 -1.051 2.271 1.00 40.05 C ATOM 1116 O HIS A 77 6.082 -0.237 2.131 1.00 1.12 O ATOM 1117 CB HIS A 77 8.068 -2.577 3.937 1.00 14.25 C ATOM 1118 CG HIS A 77 7.799 -3.241 5.253 1.00 43.31 C ATOM 1119 ND1 HIS A 77 6.682 -4.013 5.492 1.00 1.32 N ATOM 1120 CD2 HIS A 77 8.512 -3.246 6.404 1.00 40.04 C ATOM 1121 CE1 HIS A 77 6.718 -4.463 6.734 1.00 44.23 C ATOM 1122 NE2 HIS A 77 7.819 -4.012 7.308 1.00 21.23 N ATOM 0 H HIS A 77 7.281 -4.035 2.041 1.00 14.12 H new ATOM 0 HA HIS A 77 5.971 -2.134 3.804 1.00 53.51 H new ATOM 0 HB2 HIS A 77 8.739 -3.206 3.352 1.00 14.25 H new ATOM 0 HB3 HIS A 77 8.588 -1.635 4.114 1.00 14.25 H new ATOM 0 HD2 HIS A 77 9.451 -2.741 6.578 1.00 40.04 H new ATOM 0 HE1 HIS A 77 5.974 -5.092 7.200 1.00 44.23 H new ATOM 0 HE2 HIS A 77 8.107 -4.202 8.268 1.00 21.23 H new ATOM 1130 N VAL A 78 8.188 -0.903 1.703 1.00 22.54 N ATOM 1131 CA VAL A 78 8.499 0.249 0.866 1.00 63.55 C ATOM 1132 C VAL A 78 7.966 1.537 1.482 1.00 31.33 C ATOM 1133 O VAL A 78 7.263 2.306 0.827 1.00 43.32 O ATOM 1134 CB VAL A 78 7.912 0.088 -0.549 1.00 42.34 C ATOM 1135 CG1 VAL A 78 8.484 1.140 -1.487 1.00 45.14 C ATOM 1136 CG2 VAL A 78 8.177 -1.312 -1.080 1.00 64.43 C ATOM 0 H VAL A 78 8.955 -1.567 1.808 1.00 22.54 H new ATOM 0 HA VAL A 78 9.585 0.306 0.797 1.00 63.55 H new ATOM 0 HB VAL A 78 6.833 0.232 -0.494 1.00 42.34 H new ATOM 0 HG11 VAL A 78 8.058 1.011 -2.482 1.00 45.14 H new ATOM 0 HG12 VAL A 78 8.237 2.134 -1.113 1.00 45.14 H new ATOM 0 HG13 VAL A 78 9.567 1.031 -1.539 1.00 45.14 H new ATOM 0 HG21 VAL A 78 7.755 -1.408 -2.081 1.00 64.43 H new ATOM 0 HG22 VAL A 78 9.252 -1.488 -1.121 1.00 64.43 H new ATOM 0 HG23 VAL A 78 7.714 -2.045 -0.420 1.00 64.43 H new ATOM 1146 N ARG A 79 8.305 1.765 2.747 1.00 51.42 N ATOM 1147 CA ARG A 79 7.860 2.961 3.453 1.00 34.40 C ATOM 1148 C ARG A 79 8.895 4.075 3.342 1.00 44.42 C ATOM 1149 O ARG A 79 10.088 3.832 3.159 1.00 63.03 O ATOM 1150 CB ARG A 79 7.596 2.640 4.925 1.00 15.24 C ATOM 1151 CG ARG A 79 6.218 2.051 5.183 1.00 2.30 C ATOM 1152 CD ARG A 79 6.089 1.541 6.610 1.00 75.14 C ATOM 1153 NE ARG A 79 5.469 0.220 6.664 1.00 30.50 N ATOM 1154 CZ ARG A 79 4.171 0.008 6.480 1.00 55.44 C ATOM 1155 NH1 ARG A 79 3.359 1.027 6.230 1.00 70.44 N ATOM 1156 NH2 ARG A 79 3.682 -1.223 6.544 1.00 34.45 N ATOM 0 H ARG A 79 8.886 1.138 3.304 1.00 51.42 H new ATOM 0 HA ARG A 79 6.934 3.303 2.990 1.00 34.40 H new ATOM 0 HB2 ARG A 79 8.353 1.939 5.277 1.00 15.24 H new ATOM 0 HB3 ARG A 79 7.708 3.551 5.513 1.00 15.24 H new ATOM 0 HG2 ARG A 79 5.457 2.808 4.996 1.00 2.30 H new ATOM 0 HG3 ARG A 79 6.034 1.234 4.485 1.00 2.30 H new ATOM 0 HD2 ARG A 79 7.076 1.497 7.070 1.00 75.14 H new ATOM 0 HD3 ARG A 79 5.496 2.244 7.194 1.00 75.14 H new ATOM 0 HE ARG A 79 6.066 -0.585 6.854 1.00 30.50 H new ATOM 0 HH11 ARG A 79 3.731 1.975 6.179 1.00 70.44 H new ATOM 0 HH12 ARG A 79 2.362 0.862 6.089 1.00 70.44 H new ATOM 0 HH21 ARG A 79 4.303 -2.009 6.735 1.00 34.45 H new ATOM 0 HH22 ARG A 79 2.685 -1.384 6.402 1.00 34.45 H new ATOM 1170 N PRO A 80 8.431 5.329 3.454 1.00 32.43 N ATOM 1171 CA PRO A 80 9.300 6.506 3.370 1.00 62.14 C ATOM 1172 C PRO A 80 10.221 6.634 4.578 1.00 2.40 C ATOM 1173 O PRO A 80 9.884 7.295 5.560 1.00 13.22 O ATOM 1174 CB PRO A 80 8.312 7.674 3.324 1.00 40.03 C ATOM 1175 CG PRO A 80 7.086 7.160 3.997 1.00 63.04 C ATOM 1176 CD PRO A 80 7.021 5.693 3.673 1.00 31.15 C ATOM 0 HA PRO A 80 9.967 6.460 2.509 1.00 62.14 H new ATOM 0 HB2 PRO A 80 8.709 8.549 3.839 1.00 40.03 H new ATOM 0 HB3 PRO A 80 8.103 7.976 2.298 1.00 40.03 H new ATOM 0 HG2 PRO A 80 7.136 7.320 5.074 1.00 63.04 H new ATOM 0 HG3 PRO A 80 6.197 7.679 3.638 1.00 63.04 H new ATOM 0 HD2 PRO A 80 6.580 5.120 4.489 1.00 31.15 H new ATOM 0 HD3 PRO A 80 6.415 5.504 2.787 1.00 31.15 H new ATOM 1184 N SER A 81 11.386 5.999 4.499 1.00 41.12 N ATOM 1185 CA SER A 81 12.355 6.040 5.588 1.00 52.00 C ATOM 1186 C SER A 81 11.797 5.364 6.837 1.00 61.34 C ATOM 1187 O SER A 81 11.197 6.013 7.692 1.00 13.41 O ATOM 1188 CB SER A 81 12.736 7.487 5.905 1.00 3.23 C ATOM 1189 OG SER A 81 13.942 7.546 6.647 1.00 64.21 O ATOM 0 H SER A 81 11.682 5.450 3.692 1.00 41.12 H new ATOM 0 HA SER A 81 13.246 5.498 5.270 1.00 52.00 H new ATOM 0 HB2 SER A 81 12.848 8.048 4.977 1.00 3.23 H new ATOM 0 HB3 SER A 81 11.934 7.962 6.470 1.00 3.23 H new ATOM 0 HG SER A 81 14.165 8.482 6.836 1.00 64.21 H new ATOM 1195 N ALA A 82 12.000 4.054 6.933 1.00 24.13 N ATOM 1196 CA ALA A 82 11.520 3.289 8.077 1.00 24.42 C ATOM 1197 C ALA A 82 12.634 2.434 8.672 1.00 23.03 C ATOM 1198 O ALA A 82 13.377 1.772 7.947 1.00 12.21 O ATOM 1199 CB ALA A 82 10.342 2.416 7.671 1.00 22.33 C ATOM 0 H ALA A 82 12.493 3.501 6.232 1.00 24.13 H new ATOM 0 HA ALA A 82 11.190 3.993 8.841 1.00 24.42 H new ATOM 0 HB1 ALA A 82 9.994 1.850 8.535 1.00 22.33 H new ATOM 0 HB2 ALA A 82 9.533 3.046 7.300 1.00 22.33 H new ATOM 0 HB3 ALA A 82 10.654 1.726 6.887 1.00 22.33 H new ATOM 1205 N SER A 83 12.745 2.453 9.997 1.00 44.32 N ATOM 1206 CA SER A 83 13.772 1.683 10.689 1.00 1.31 C ATOM 1207 C SER A 83 13.159 0.488 11.413 1.00 43.13 C ATOM 1208 O SER A 83 12.367 0.651 12.341 1.00 20.52 O ATOM 1209 CB SER A 83 14.519 2.570 11.687 1.00 14.43 C ATOM 1210 OG SER A 83 14.512 3.925 11.270 1.00 34.25 O ATOM 0 H SER A 83 12.136 2.993 10.612 1.00 44.32 H new ATOM 0 HA SER A 83 14.477 1.313 9.945 1.00 1.31 H new ATOM 0 HB2 SER A 83 14.056 2.486 12.670 1.00 14.43 H new ATOM 0 HB3 SER A 83 15.547 2.223 11.788 1.00 14.43 H new ATOM 0 HG SER A 83 14.994 4.471 11.925 1.00 34.25 H new ATOM 1216 N ILE A 84 13.532 -0.712 10.980 1.00 1.24 N ATOM 1217 CA ILE A 84 13.021 -1.935 11.587 1.00 13.50 C ATOM 1218 C ILE A 84 14.147 -2.751 12.212 1.00 12.45 C ATOM 1219 O ILE A 84 15.285 -2.744 11.744 1.00 25.33 O ATOM 1220 CB ILE A 84 12.281 -2.807 10.556 1.00 34.43 C ATOM 1221 CG1 ILE A 84 13.215 -3.175 9.402 1.00 24.32 C ATOM 1222 CG2 ILE A 84 11.048 -2.083 10.036 1.00 10.14 C ATOM 1223 CD1 ILE A 84 13.235 -2.150 8.290 1.00 73.20 C ATOM 0 H ILE A 84 14.186 -0.863 10.212 1.00 1.24 H new ATOM 0 HA ILE A 84 12.320 -1.633 12.365 1.00 13.50 H new ATOM 0 HB ILE A 84 11.959 -3.726 11.045 1.00 34.43 H new ATOM 0 HG12 ILE A 84 14.226 -3.299 9.789 1.00 24.32 H new ATOM 0 HG13 ILE A 84 12.911 -4.138 8.992 1.00 24.32 H new ATOM 0 HG21 ILE A 84 10.536 -2.713 9.308 1.00 10.14 H new ATOM 0 HG22 ILE A 84 10.375 -1.868 10.866 1.00 10.14 H new ATOM 0 HG23 ILE A 84 11.348 -1.149 9.560 1.00 10.14 H new ATOM 0 HD11 ILE A 84 13.918 -2.477 7.506 1.00 73.20 H new ATOM 0 HD12 ILE A 84 12.232 -2.043 7.876 1.00 73.20 H new ATOM 0 HD13 ILE A 84 13.569 -1.191 8.685 1.00 73.20 H new ATOM 1235 N PRO A 85 13.823 -3.473 13.296 1.00 42.44 N ATOM 1236 CA PRO A 85 14.793 -4.310 14.008 1.00 43.25 C ATOM 1237 C PRO A 85 15.210 -5.532 13.196 1.00 33.14 C ATOM 1238 O PRO A 85 14.405 -6.431 12.951 1.00 14.41 O ATOM 1239 CB PRO A 85 14.036 -4.737 15.267 1.00 10.24 C ATOM 1240 CG PRO A 85 12.597 -4.663 14.888 1.00 3.31 C ATOM 1241 CD PRO A 85 12.485 -3.528 13.908 1.00 3.53 C ATOM 0 HA PRO A 85 15.720 -3.775 14.213 1.00 43.25 H new ATOM 0 HB2 PRO A 85 14.313 -5.746 15.573 1.00 10.24 H new ATOM 0 HB3 PRO A 85 14.259 -4.077 16.106 1.00 10.24 H new ATOM 0 HG2 PRO A 85 12.263 -5.599 14.441 1.00 3.31 H new ATOM 0 HG3 PRO A 85 11.972 -4.486 15.763 1.00 3.31 H new ATOM 0 HD2 PRO A 85 11.710 -3.714 13.164 1.00 3.53 H new ATOM 0 HD3 PRO A 85 12.231 -2.592 14.405 1.00 3.53 H new ATOM 1249 N VAL A 86 16.473 -5.560 12.783 1.00 54.24 N ATOM 1250 CA VAL A 86 16.996 -6.673 12.000 1.00 24.01 C ATOM 1251 C VAL A 86 18.310 -7.183 12.581 1.00 22.24 C ATOM 1252 O VAL A 86 19.325 -6.486 12.557 1.00 73.22 O ATOM 1253 CB VAL A 86 17.220 -6.270 10.531 1.00 41.15 C ATOM 1254 CG1 VAL A 86 17.459 -7.501 9.669 1.00 3.25 C ATOM 1255 CG2 VAL A 86 16.036 -5.468 10.012 1.00 34.41 C ATOM 0 H VAL A 86 17.153 -4.825 12.978 1.00 54.24 H new ATOM 0 HA VAL A 86 16.250 -7.467 12.041 1.00 24.01 H new ATOM 0 HB VAL A 86 18.108 -5.640 10.477 1.00 41.15 H new ATOM 0 HG11 VAL A 86 17.615 -7.196 8.634 1.00 3.25 H new ATOM 0 HG12 VAL A 86 18.341 -8.031 10.028 1.00 3.25 H new ATOM 0 HG13 VAL A 86 16.592 -8.159 9.726 1.00 3.25 H new ATOM 0 HG21 VAL A 86 16.211 -5.192 8.972 1.00 34.41 H new ATOM 0 HG22 VAL A 86 15.131 -6.071 10.079 1.00 34.41 H new ATOM 0 HG23 VAL A 86 15.917 -4.566 10.612 1.00 34.41 H new ATOM 1265 N VAL A 87 18.285 -8.405 13.104 1.00 31.03 N ATOM 1266 CA VAL A 87 19.474 -9.010 13.691 1.00 65.41 C ATOM 1267 C VAL A 87 20.269 -9.785 12.646 1.00 61.22 C ATOM 1268 O VAL A 87 19.722 -10.627 11.933 1.00 25.42 O ATOM 1269 CB VAL A 87 19.109 -9.958 14.849 1.00 61.33 C ATOM 1270 CG1 VAL A 87 20.366 -10.487 15.523 1.00 12.22 C ATOM 1271 CG2 VAL A 87 18.212 -9.251 15.853 1.00 4.43 C ATOM 0 H VAL A 87 17.454 -8.995 13.133 1.00 31.03 H new ATOM 0 HA VAL A 87 20.085 -8.195 14.078 1.00 65.41 H new ATOM 0 HB VAL A 87 18.560 -10.807 14.442 1.00 61.33 H new ATOM 0 HG11 VAL A 87 20.088 -11.155 16.338 1.00 12.22 H new ATOM 0 HG12 VAL A 87 20.967 -11.033 14.796 1.00 12.22 H new ATOM 0 HG13 VAL A 87 20.945 -9.653 15.919 1.00 12.22 H new ATOM 0 HG21 VAL A 87 17.964 -9.935 16.664 1.00 4.43 H new ATOM 0 HG22 VAL A 87 18.732 -8.382 16.257 1.00 4.43 H new ATOM 0 HG23 VAL A 87 17.296 -8.928 15.358 1.00 4.43 H new ATOM 1281 N PHE A 88 21.563 -9.495 12.560 1.00 62.33 N ATOM 1282 CA PHE A 88 22.434 -10.165 11.601 1.00 44.42 C ATOM 1283 C PHE A 88 23.345 -11.169 12.302 1.00 50.52 C ATOM 1284 O PHE A 88 23.516 -11.123 13.520 1.00 41.41 O ATOM 1285 CB PHE A 88 23.277 -9.137 10.842 1.00 25.52 C ATOM 1286 CG PHE A 88 22.468 -8.026 10.239 1.00 52.51 C ATOM 1287 CD1 PHE A 88 21.332 -8.303 9.496 1.00 54.53 C ATOM 1288 CD2 PHE A 88 22.842 -6.703 10.415 1.00 25.33 C ATOM 1289 CE1 PHE A 88 20.585 -7.281 8.939 1.00 63.21 C ATOM 1290 CE2 PHE A 88 22.100 -5.678 9.861 1.00 12.32 C ATOM 1291 CZ PHE A 88 20.969 -5.967 9.123 1.00 62.12 C ATOM 0 H PHE A 88 22.032 -8.801 13.142 1.00 62.33 H new ATOM 0 HA PHE A 88 21.806 -10.705 10.892 1.00 44.42 H new ATOM 0 HB2 PHE A 88 24.015 -8.711 11.522 1.00 25.52 H new ATOM 0 HB3 PHE A 88 23.829 -9.645 10.051 1.00 25.52 H new ATOM 0 HD1 PHE A 88 21.026 -9.329 9.350 1.00 54.53 H new ATOM 0 HD2 PHE A 88 23.725 -6.471 10.992 1.00 25.33 H new ATOM 0 HE1 PHE A 88 19.702 -7.510 8.361 1.00 63.21 H new ATOM 0 HE2 PHE A 88 22.404 -4.652 10.005 1.00 12.32 H new ATOM 0 HZ PHE A 88 20.386 -5.167 8.691 1.00 62.12 H new ATOM 1301 N SER A 89 23.926 -12.075 11.523 1.00 63.40 N ATOM 1302 CA SER A 89 24.816 -13.094 12.068 1.00 11.14 C ATOM 1303 C SER A 89 26.055 -13.259 11.193 1.00 14.50 C ATOM 1304 O SER A 89 25.995 -13.086 9.975 1.00 31.55 O ATOM 1305 CB SER A 89 24.082 -14.431 12.190 1.00 52.35 C ATOM 1306 OG SER A 89 23.475 -14.566 13.463 1.00 2.20 O ATOM 0 H SER A 89 23.797 -12.125 10.512 1.00 63.40 H new ATOM 0 HA SER A 89 25.133 -12.770 13.059 1.00 11.14 H new ATOM 0 HB2 SER A 89 23.322 -14.504 11.412 1.00 52.35 H new ATOM 0 HB3 SER A 89 24.783 -15.250 12.029 1.00 52.35 H new ATOM 0 HG SER A 89 23.151 -15.484 13.575 1.00 2.20 H new ATOM 1312 N ARG A 90 27.176 -13.593 11.823 1.00 42.33 N ATOM 1313 CA ARG A 90 28.430 -13.780 11.103 1.00 40.44 C ATOM 1314 C ARG A 90 29.113 -15.077 11.527 1.00 54.31 C ATOM 1315 O ARG A 90 30.113 -15.058 12.244 1.00 10.42 O ATOM 1316 CB ARG A 90 29.366 -12.594 11.348 1.00 35.55 C ATOM 1317 CG ARG A 90 29.279 -11.518 10.278 1.00 25.44 C ATOM 1318 CD ARG A 90 30.524 -10.645 10.265 1.00 24.30 C ATOM 1319 NE ARG A 90 30.841 -10.165 8.923 1.00 44.41 N ATOM 1320 CZ ARG A 90 31.929 -9.459 8.633 1.00 70.33 C ATOM 1321 NH1 ARG A 90 32.799 -9.155 9.585 1.00 3.43 N ATOM 1322 NH2 ARG A 90 32.148 -9.058 7.387 1.00 11.41 N ATOM 0 H ARG A 90 27.242 -13.740 12.830 1.00 42.33 H new ATOM 0 HA ARG A 90 28.203 -13.841 10.039 1.00 40.44 H new ATOM 0 HB2 ARG A 90 29.132 -12.151 12.316 1.00 35.55 H new ATOM 0 HB3 ARG A 90 30.392 -12.957 11.403 1.00 35.55 H new ATOM 0 HG2 ARG A 90 29.150 -11.984 9.301 1.00 25.44 H new ATOM 0 HG3 ARG A 90 28.400 -10.898 10.454 1.00 25.44 H new ATOM 0 HD2 ARG A 90 30.377 -9.793 10.929 1.00 24.30 H new ATOM 0 HD3 ARG A 90 31.369 -11.212 10.656 1.00 24.30 H new ATOM 0 HE ARG A 90 30.192 -10.383 8.167 1.00 44.41 H new ATOM 0 HH11 ARG A 90 32.635 -9.463 10.543 1.00 3.43 H new ATOM 0 HH12 ARG A 90 33.633 -8.613 9.359 1.00 3.43 H new ATOM 0 HH21 ARG A 90 31.481 -9.292 6.651 1.00 11.41 H new ATOM 0 HH22 ARG A 90 32.983 -8.516 7.165 1.00 11.41 H new ATOM 1336 N ASP A 91 28.565 -16.201 11.080 1.00 73.15 N ATOM 1337 CA ASP A 91 29.121 -17.508 11.412 1.00 15.31 C ATOM 1338 C ASP A 91 29.002 -17.784 12.908 1.00 45.32 C ATOM 1339 O ASP A 91 29.975 -18.167 13.557 1.00 14.33 O ATOM 1340 CB ASP A 91 30.586 -17.587 10.980 1.00 34.23 C ATOM 1341 CG ASP A 91 30.874 -16.747 9.752 1.00 54.31 C ATOM 1342 OD1 ASP A 91 30.102 -16.841 8.775 1.00 61.23 O ATOM 1343 OD2 ASP A 91 31.871 -15.995 9.767 1.00 20.03 O ATOM 0 H ASP A 91 27.736 -16.234 10.487 1.00 73.15 H new ATOM 0 HA ASP A 91 28.551 -18.266 10.875 1.00 15.31 H new ATOM 0 HB2 ASP A 91 31.222 -17.255 11.801 1.00 34.23 H new ATOM 0 HB3 ASP A 91 30.846 -18.626 10.775 1.00 34.23 H new ATOM 1348 N GLY A 92 27.804 -17.585 13.448 1.00 20.25 N ATOM 1349 CA GLY A 92 27.581 -17.816 14.864 1.00 62.33 C ATOM 1350 C GLY A 92 27.569 -16.531 15.666 1.00 4.54 C ATOM 1351 O GLY A 92 27.046 -16.490 16.780 1.00 41.10 O ATOM 0 H GLY A 92 26.984 -17.268 12.931 1.00 20.25 H new ATOM 0 HA2 GLY A 92 26.632 -18.334 14.999 1.00 62.33 H new ATOM 0 HA3 GLY A 92 28.360 -18.474 15.249 1.00 62.33 H new ATOM 1355 N VAL A 93 28.149 -15.476 15.101 1.00 24.41 N ATOM 1356 CA VAL A 93 28.204 -14.183 15.772 1.00 43.13 C ATOM 1357 C VAL A 93 26.812 -13.580 15.917 1.00 53.33 C ATOM 1358 O VAL A 93 26.003 -13.626 14.989 1.00 25.13 O ATOM 1359 CB VAL A 93 29.104 -13.193 15.008 1.00 12.33 C ATOM 1360 CG1 VAL A 93 29.122 -11.841 15.706 1.00 64.12 C ATOM 1361 CG2 VAL A 93 30.512 -13.750 14.871 1.00 64.33 C ATOM 0 H VAL A 93 28.587 -15.492 14.180 1.00 24.41 H new ATOM 0 HA VAL A 93 28.626 -14.357 16.762 1.00 43.13 H new ATOM 0 HB VAL A 93 28.695 -13.054 14.007 1.00 12.33 H new ATOM 0 HG11 VAL A 93 29.763 -11.154 15.153 1.00 64.12 H new ATOM 0 HG12 VAL A 93 28.110 -11.439 15.747 1.00 64.12 H new ATOM 0 HG13 VAL A 93 29.507 -11.960 16.719 1.00 64.12 H new ATOM 0 HG21 VAL A 93 31.134 -13.038 14.329 1.00 64.33 H new ATOM 0 HG22 VAL A 93 30.934 -13.920 15.862 1.00 64.33 H new ATOM 0 HG23 VAL A 93 30.479 -14.692 14.324 1.00 64.33 H new ATOM 1371 N VAL A 94 26.537 -13.013 17.087 1.00 4.43 N ATOM 1372 CA VAL A 94 25.243 -12.398 17.354 1.00 14.12 C ATOM 1373 C VAL A 94 25.376 -10.890 17.531 1.00 3.44 C ATOM 1374 O VAL A 94 26.025 -10.419 18.465 1.00 25.42 O ATOM 1375 CB VAL A 94 24.586 -12.995 18.613 1.00 24.41 C ATOM 1376 CG1 VAL A 94 25.496 -12.828 19.820 1.00 24.14 C ATOM 1377 CG2 VAL A 94 23.231 -12.352 18.863 1.00 0.25 C ATOM 0 H VAL A 94 27.194 -12.967 17.866 1.00 4.43 H new ATOM 0 HA VAL A 94 24.611 -12.605 16.490 1.00 14.12 H new ATOM 0 HB VAL A 94 24.431 -14.062 18.450 1.00 24.41 H new ATOM 0 HG11 VAL A 94 25.015 -13.256 20.700 1.00 24.14 H new ATOM 0 HG12 VAL A 94 26.440 -13.341 19.637 1.00 24.14 H new ATOM 0 HG13 VAL A 94 25.685 -11.768 19.989 1.00 24.14 H new ATOM 0 HG21 VAL A 94 22.782 -12.786 19.756 1.00 0.25 H new ATOM 0 HG22 VAL A 94 23.358 -11.279 19.006 1.00 0.25 H new ATOM 0 HG23 VAL A 94 22.580 -12.530 18.007 1.00 0.25 H new ATOM 1387 N MET A 95 24.757 -10.136 16.629 1.00 62.14 N ATOM 1388 CA MET A 95 24.806 -8.680 16.686 1.00 13.35 C ATOM 1389 C MET A 95 23.464 -8.075 16.285 1.00 2.44 C ATOM 1390 O MET A 95 22.648 -8.727 15.634 1.00 2.03 O ATOM 1391 CB MET A 95 25.912 -8.148 15.773 1.00 73.34 C ATOM 1392 CG MET A 95 26.482 -6.813 16.222 1.00 55.54 C ATOM 1393 SD MET A 95 27.406 -6.935 17.765 1.00 34.21 S ATOM 1394 CE MET A 95 29.083 -6.728 17.173 1.00 41.02 C ATOM 0 H MET A 95 24.215 -10.509 15.850 1.00 62.14 H new ATOM 0 HA MET A 95 25.023 -8.389 17.714 1.00 13.35 H new ATOM 0 HB2 MET A 95 26.718 -8.881 15.727 1.00 73.34 H new ATOM 0 HB3 MET A 95 25.518 -8.044 14.762 1.00 73.34 H new ATOM 0 HG2 MET A 95 27.135 -6.421 15.442 1.00 55.54 H new ATOM 0 HG3 MET A 95 25.668 -6.098 16.346 1.00 55.54 H new ATOM 0 HE1 MET A 95 29.775 -6.780 18.014 1.00 41.02 H new ATOM 0 HE2 MET A 95 29.318 -7.519 16.461 1.00 41.02 H new ATOM 0 HE3 MET A 95 29.179 -5.759 16.683 1.00 41.02 H new ATOM 1404 N SER A 96 23.243 -6.824 16.679 1.00 74.43 N ATOM 1405 CA SER A 96 21.998 -6.133 16.363 1.00 31.14 C ATOM 1406 C SER A 96 22.269 -4.868 15.554 1.00 32.35 C ATOM 1407 O SER A 96 23.111 -4.051 15.924 1.00 41.32 O ATOM 1408 CB SER A 96 21.247 -5.779 17.648 1.00 31.24 C ATOM 1409 OG SER A 96 22.112 -5.178 18.596 1.00 42.53 O ATOM 0 H SER A 96 23.909 -6.269 17.217 1.00 74.43 H new ATOM 0 HA SER A 96 21.382 -6.802 15.763 1.00 31.14 H new ATOM 0 HB2 SER A 96 20.427 -5.099 17.418 1.00 31.24 H new ATOM 0 HB3 SER A 96 20.805 -6.680 18.074 1.00 31.24 H new ATOM 0 HG SER A 96 22.744 -4.588 18.134 1.00 42.53 H new ATOM 1415 N ALA A 97 21.548 -4.715 14.449 1.00 70.25 N ATOM 1416 CA ALA A 97 21.708 -3.550 13.588 1.00 41.05 C ATOM 1417 C ALA A 97 20.366 -3.096 13.023 1.00 2.33 C ATOM 1418 O ALA A 97 19.520 -3.917 12.667 1.00 44.34 O ATOM 1419 CB ALA A 97 22.681 -3.858 12.459 1.00 53.44 C ATOM 0 H ALA A 97 20.847 -5.383 14.129 1.00 70.25 H new ATOM 0 HA ALA A 97 22.113 -2.737 14.190 1.00 41.05 H new ATOM 0 HB1 ALA A 97 22.791 -2.979 11.824 1.00 53.44 H new ATOM 0 HB2 ALA A 97 23.651 -4.127 12.878 1.00 53.44 H new ATOM 0 HB3 ALA A 97 22.299 -4.689 11.866 1.00 53.44 H new ATOM 1425 N THR A 98 20.176 -1.782 12.945 1.00 22.22 N ATOM 1426 CA THR A 98 18.936 -1.219 12.426 1.00 4.22 C ATOM 1427 C THR A 98 19.056 -0.903 10.940 1.00 71.13 C ATOM 1428 O THR A 98 20.027 -0.284 10.503 1.00 31.32 O ATOM 1429 CB THR A 98 18.543 0.064 13.182 1.00 51.51 C ATOM 1430 OG1 THR A 98 18.853 -0.072 14.573 1.00 0.42 O ATOM 1431 CG2 THR A 98 17.060 0.358 13.014 1.00 33.01 C ATOM 0 H THR A 98 20.865 -1.088 13.235 1.00 22.22 H new ATOM 0 HA THR A 98 18.161 -1.971 12.573 1.00 4.22 H new ATOM 0 HB THR A 98 19.112 0.894 12.763 1.00 51.51 H new ATOM 0 HG1 THR A 98 18.602 0.749 15.046 1.00 0.42 H new ATOM 0 HG21 THR A 98 16.806 1.269 13.557 1.00 33.01 H new ATOM 0 HG22 THR A 98 16.833 0.491 11.956 1.00 33.01 H new ATOM 0 HG23 THR A 98 16.477 -0.474 13.409 1.00 33.01 H new ATOM 1439 N ILE A 99 18.063 -1.331 10.167 1.00 22.21 N ATOM 1440 CA ILE A 99 18.057 -1.092 8.729 1.00 2.13 C ATOM 1441 C ILE A 99 17.169 0.095 8.373 1.00 12.23 C ATOM 1442 O ILE A 99 15.994 0.136 8.738 1.00 54.42 O ATOM 1443 CB ILE A 99 17.573 -2.332 7.954 1.00 2.33 C ATOM 1444 CG1 ILE A 99 18.435 -3.547 8.304 1.00 53.03 C ATOM 1445 CG2 ILE A 99 17.605 -2.066 6.457 1.00 41.13 C ATOM 1446 CD1 ILE A 99 18.052 -4.797 7.543 1.00 22.53 C ATOM 0 H ILE A 99 17.253 -1.845 10.513 1.00 22.21 H new ATOM 0 HA ILE A 99 19.085 -0.873 8.441 1.00 2.13 H new ATOM 0 HB ILE A 99 16.544 -2.545 8.243 1.00 2.33 H new ATOM 0 HG12 ILE A 99 19.480 -3.312 8.100 1.00 53.03 H new ATOM 0 HG13 ILE A 99 18.355 -3.743 9.373 1.00 53.03 H new ATOM 0 HG21 ILE A 99 17.260 -2.951 5.923 1.00 41.13 H new ATOM 0 HG22 ILE A 99 16.953 -1.224 6.223 1.00 41.13 H new ATOM 0 HG23 ILE A 99 18.624 -1.832 6.151 1.00 41.13 H new ATOM 0 HD11 ILE A 99 18.704 -5.618 7.841 1.00 22.53 H new ATOM 0 HD12 ILE A 99 17.017 -5.056 7.766 1.00 22.53 H new ATOM 0 HD13 ILE A 99 18.159 -4.619 6.473 1.00 22.53 H new ATOM 1458 N VAL A 100 17.738 1.059 7.657 1.00 52.43 N ATOM 1459 CA VAL A 100 16.997 2.247 7.248 1.00 20.20 C ATOM 1460 C VAL A 100 16.741 2.245 5.745 1.00 20.41 C ATOM 1461 O VAL A 100 17.536 2.774 4.968 1.00 20.51 O ATOM 1462 CB VAL A 100 17.749 3.536 7.628 1.00 45.14 C ATOM 1463 CG1 VAL A 100 17.621 3.810 9.118 1.00 2.22 C ATOM 1464 CG2 VAL A 100 19.212 3.439 7.219 1.00 54.11 C ATOM 0 H VAL A 100 18.710 1.041 7.348 1.00 52.43 H new ATOM 0 HA VAL A 100 16.044 2.222 7.776 1.00 20.20 H new ATOM 0 HB VAL A 100 17.299 4.370 7.090 1.00 45.14 H new ATOM 0 HG11 VAL A 100 18.159 4.725 9.367 1.00 2.22 H new ATOM 0 HG12 VAL A 100 16.569 3.926 9.378 1.00 2.22 H new ATOM 0 HG13 VAL A 100 18.044 2.976 9.679 1.00 2.22 H new ATOM 0 HG21 VAL A 100 19.729 4.358 7.495 1.00 54.11 H new ATOM 0 HG22 VAL A 100 19.677 2.595 7.728 1.00 54.11 H new ATOM 0 HG23 VAL A 100 19.280 3.294 6.141 1.00 54.11 H new ATOM 1474 N VAL A 101 15.625 1.646 5.341 1.00 30.14 N ATOM 1475 CA VAL A 101 15.262 1.576 3.931 1.00 62.21 C ATOM 1476 C VAL A 101 14.367 2.745 3.535 1.00 31.50 C ATOM 1477 O VAL A 101 13.219 2.835 3.967 1.00 35.50 O ATOM 1478 CB VAL A 101 14.540 0.256 3.602 1.00 21.31 C ATOM 1479 CG1 VAL A 101 14.117 0.228 2.141 1.00 14.14 C ATOM 1480 CG2 VAL A 101 15.430 -0.934 3.930 1.00 14.24 C ATOM 0 H VAL A 101 14.957 1.202 5.971 1.00 30.14 H new ATOM 0 HA VAL A 101 16.191 1.625 3.362 1.00 62.21 H new ATOM 0 HB VAL A 101 13.642 0.190 4.217 1.00 21.31 H new ATOM 0 HG11 VAL A 101 13.609 -0.712 1.927 1.00 14.14 H new ATOM 0 HG12 VAL A 101 13.441 1.060 1.942 1.00 14.14 H new ATOM 0 HG13 VAL A 101 14.998 0.317 1.505 1.00 14.14 H new ATOM 0 HG21 VAL A 101 14.904 -1.858 3.691 1.00 14.24 H new ATOM 0 HG22 VAL A 101 16.346 -0.876 3.343 1.00 14.24 H new ATOM 0 HG23 VAL A 101 15.678 -0.921 4.991 1.00 14.24 H new ATOM 1490 N GLY A 102 14.901 3.639 2.709 1.00 41.01 N ATOM 1491 CA GLY A 102 14.136 4.791 2.268 1.00 65.24 C ATOM 1492 C GLY A 102 13.770 4.715 0.799 1.00 40.43 C ATOM 1493 O GLY A 102 14.271 5.493 -0.013 1.00 21.03 O ATOM 0 H GLY A 102 15.849 3.586 2.337 1.00 41.01 H new ATOM 0 HA2 GLY A 102 13.226 4.868 2.863 1.00 65.24 H new ATOM 0 HA3 GLY A 102 14.713 5.698 2.449 1.00 65.24 H new ATOM 1497 N GLU A 103 12.895 3.775 0.456 1.00 12.22 N ATOM 1498 CA GLU A 103 12.464 3.600 -0.926 1.00 44.30 C ATOM 1499 C GLU A 103 11.860 4.890 -1.475 1.00 63.51 C ATOM 1500 O GLU A 103 12.315 5.419 -2.490 1.00 62.31 O ATOM 1501 CB GLU A 103 11.445 2.463 -1.026 1.00 42.42 C ATOM 1502 CG GLU A 103 11.910 1.170 -0.378 1.00 43.14 C ATOM 1503 CD GLU A 103 13.294 0.753 -0.837 1.00 23.12 C ATOM 1504 OE1 GLU A 103 14.273 1.437 -0.470 1.00 34.51 O ATOM 1505 OE2 GLU A 103 13.398 -0.258 -1.563 1.00 24.24 O ATOM 0 H GLU A 103 12.471 3.123 1.116 1.00 12.22 H new ATOM 0 HA GLU A 103 13.340 3.346 -1.524 1.00 44.30 H new ATOM 0 HB2 GLU A 103 10.513 2.780 -0.558 1.00 42.42 H new ATOM 0 HB3 GLU A 103 11.226 2.274 -2.077 1.00 42.42 H new ATOM 0 HG2 GLU A 103 11.911 1.291 0.705 1.00 43.14 H new ATOM 0 HG3 GLU A 103 11.200 0.376 -0.609 1.00 43.14 H new ATOM 1512 N LEU A 104 10.833 5.390 -0.798 1.00 33.51 N ATOM 1513 CA LEU A 104 10.165 6.617 -1.217 1.00 35.30 C ATOM 1514 C LEU A 104 10.807 7.837 -0.565 1.00 64.30 C ATOM 1515 O LEU A 104 10.736 8.012 0.651 1.00 64.42 O ATOM 1516 CB LEU A 104 8.678 6.558 -0.861 1.00 51.35 C ATOM 1517 CG LEU A 104 7.815 7.703 -1.394 1.00 0.14 C ATOM 1518 CD1 LEU A 104 7.918 7.790 -2.908 1.00 61.44 C ATOM 1519 CD2 LEU A 104 6.366 7.522 -0.965 1.00 40.43 C ATOM 0 H LEU A 104 10.444 4.965 0.044 1.00 33.51 H new ATOM 0 HA LEU A 104 10.271 6.708 -2.298 1.00 35.30 H new ATOM 0 HB2 LEU A 104 8.272 5.618 -1.236 1.00 51.35 H new ATOM 0 HB3 LEU A 104 8.585 6.535 0.225 1.00 51.35 H new ATOM 0 HG LEU A 104 8.184 8.638 -0.972 1.00 0.14 H new ATOM 0 HD11 LEU A 104 7.297 8.610 -3.268 1.00 61.44 H new ATOM 0 HD12 LEU A 104 8.955 7.968 -3.193 1.00 61.44 H new ATOM 0 HD13 LEU A 104 7.576 6.854 -3.350 1.00 61.44 H new ATOM 0 HD21 LEU A 104 5.766 8.345 -1.353 1.00 40.43 H new ATOM 0 HD22 LEU A 104 5.985 6.579 -1.358 1.00 40.43 H new ATOM 0 HD23 LEU A 104 6.307 7.512 0.123 1.00 40.43 H new ATOM 1531 N GLU A 105 11.433 8.678 -1.383 1.00 34.11 N ATOM 1532 CA GLU A 105 12.087 9.882 -0.885 1.00 15.32 C ATOM 1533 C GLU A 105 11.702 11.097 -1.724 1.00 50.15 C ATOM 1534 O GLU A 105 12.395 12.114 -1.716 1.00 13.02 O ATOM 1535 CB GLU A 105 13.606 9.704 -0.892 1.00 2.34 C ATOM 1536 CG GLU A 105 14.246 9.884 0.475 1.00 43.13 C ATOM 1537 CD GLU A 105 15.612 10.538 0.397 1.00 23.15 C ATOM 1538 OE1 GLU A 105 15.671 11.759 0.144 1.00 42.41 O ATOM 1539 OE2 GLU A 105 16.622 9.829 0.590 1.00 32.32 O ATOM 0 H GLU A 105 11.501 8.547 -2.392 1.00 34.11 H new ATOM 0 HA GLU A 105 11.753 10.049 0.139 1.00 15.32 H new ATOM 0 HB2 GLU A 105 13.845 8.709 -1.268 1.00 2.34 H new ATOM 0 HB3 GLU A 105 14.044 10.421 -1.586 1.00 2.34 H new ATOM 0 HG2 GLU A 105 13.592 10.491 1.101 1.00 43.13 H new ATOM 0 HG3 GLU A 105 14.340 8.912 0.959 1.00 43.13 H new TER 1546 GLU A 105