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 Single : A 3 THR OG1 : rot 120:sc= -0.516 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 -49:sc= -0.0121 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.156 USER MOD Single : A 22 THR OG1 : rot -150:sc= -1.1 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot -43:sc= 1.11 USER MOD Single : A 30 GLN : amide:sc= -5.01! C(o=-5!,f=-15!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -94:sc= 0.205 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.148 X(o=-0.15,f=-0.18) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -1.52 K(o=-1.5,f=-6.5!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.225 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0571 USER MOD Single : A 71 ASN : amide:sc= 0.0817 K(o=0.082,f=-3.5!) USER MOD Single : A 72 THR OG1 : rot 65:sc= 1.32 USER MOD Single : A 77 HIS : no HD1:sc= -2.76 K(o=-2.8,f=-3.4) USER MOD Single : A 81 SER OG : rot 57:sc= 1.16 USER MOD Single : A 83 SER OG : rot 180:sc= -0.556 USER MOD Single : A 89 SER OG : rot -54:sc= 1.33 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 2.583 -0.886 -1.063 1.00 13.05 N ATOM 2 CA PRO A 1 3.732 -1.650 -1.556 1.00 21.53 C ATOM 3 C PRO A 1 3.315 -2.804 -2.462 1.00 25.25 C ATOM 4 O PRO A 1 2.937 -3.875 -1.985 1.00 62.45 O ATOM 5 CB PRO A 1 4.380 -2.183 -0.275 1.00 73.10 C ATOM 6 CG PRO A 1 3.271 -2.231 0.718 1.00 34.44 C ATOM 7 CD PRO A 1 2.361 -1.083 0.380 1.00 50.12 C ATOM 0 H2 PRO A 1 1.746 -1.165 -1.575 1.00 13.05 H new ATOM 0 H3 PRO A 1 2.731 0.106 -1.250 1.00 13.05 H new ATOM 0 HA PRO A 1 4.398 -1.038 -2.164 1.00 21.53 H new ATOM 0 HB2 PRO A 1 4.814 -3.170 -0.432 1.00 73.10 H new ATOM 0 HB3 PRO A 1 5.186 -1.531 0.062 1.00 73.10 H new ATOM 0 HG2 PRO A 1 2.738 -3.180 0.662 1.00 34.44 H new ATOM 0 HG3 PRO A 1 3.653 -2.139 1.735 1.00 34.44 H new ATOM 0 HD2 PRO A 1 1.319 -1.318 0.598 1.00 50.12 H new ATOM 0 HD3 PRO A 1 2.612 -0.189 0.951 1.00 50.12 H new ATOM 15 N LEU A 2 3.387 -2.579 -3.769 1.00 24.42 N ATOM 16 CA LEU A 2 3.018 -3.601 -4.742 1.00 71.22 C ATOM 17 C LEU A 2 4.216 -3.995 -5.600 1.00 4.02 C ATOM 18 O LEU A 2 4.105 -4.126 -6.819 1.00 63.33 O ATOM 19 CB LEU A 2 1.882 -3.097 -5.634 1.00 31.10 C ATOM 20 CG LEU A 2 0.830 -4.134 -6.031 1.00 42.54 C ATOM 21 CD1 LEU A 2 1.493 -5.365 -6.629 1.00 3.20 C ATOM 22 CD2 LEU A 2 -0.023 -4.515 -4.831 1.00 12.15 C ATOM 0 H LEU A 2 3.697 -1.698 -4.179 1.00 24.42 H new ATOM 0 HA LEU A 2 2.680 -4.482 -4.196 1.00 71.22 H new ATOM 0 HB2 LEU A 2 1.380 -2.277 -5.120 1.00 31.10 H new ATOM 0 HB3 LEU A 2 2.317 -2.684 -6.544 1.00 31.10 H new ATOM 0 HG LEU A 2 0.181 -3.693 -6.787 1.00 42.54 H new ATOM 0 HD11 LEU A 2 0.729 -6.092 -6.905 1.00 3.20 H new ATOM 0 HD12 LEU A 2 2.059 -5.079 -7.515 1.00 3.20 H new ATOM 0 HD13 LEU A 2 2.167 -5.808 -5.895 1.00 3.20 H new ATOM 0 HD21 LEU A 2 -0.766 -5.254 -5.132 1.00 12.15 H new ATOM 0 HD22 LEU A 2 0.612 -4.936 -4.052 1.00 12.15 H new ATOM 0 HD23 LEU A 2 -0.528 -3.628 -4.447 1.00 12.15 H new ATOM 34 N THR A 3 5.363 -4.184 -4.954 1.00 70.41 N ATOM 35 CA THR A 3 6.582 -4.564 -5.657 1.00 20.43 C ATOM 36 C THR A 3 7.010 -5.981 -5.289 1.00 54.34 C ATOM 37 O THR A 3 6.686 -6.477 -4.210 1.00 51.31 O ATOM 38 CB THR A 3 7.737 -3.594 -5.343 1.00 74.24 C ATOM 39 OG1 THR A 3 7.240 -2.254 -5.256 1.00 2.11 O ATOM 40 CG2 THR A 3 8.815 -3.672 -6.414 1.00 33.22 C ATOM 0 H THR A 3 5.473 -4.080 -3.945 1.00 70.41 H new ATOM 0 HA THR A 3 6.359 -4.520 -6.723 1.00 20.43 H new ATOM 0 HB THR A 3 8.175 -3.882 -4.387 1.00 74.24 H new ATOM 0 HG1 THR A 3 7.422 -1.895 -4.362 1.00 2.11 H new ATOM 0 HG21 THR A 3 9.620 -2.979 -6.171 1.00 33.22 H new ATOM 0 HG22 THR A 3 9.211 -4.687 -6.458 1.00 33.22 H new ATOM 0 HG23 THR A 3 8.387 -3.407 -7.381 1.00 33.22 H new ATOM 48 N ARG A 4 7.739 -6.627 -6.193 1.00 41.32 N ATOM 49 CA ARG A 4 8.211 -7.987 -5.964 1.00 34.14 C ATOM 50 C ARG A 4 9.021 -8.490 -7.155 1.00 2.33 C ATOM 51 O ARG A 4 8.613 -9.402 -7.874 1.00 41.42 O ATOM 52 CB ARG A 4 7.028 -8.923 -5.706 1.00 42.14 C ATOM 53 CG ARG A 4 5.875 -8.728 -6.677 1.00 71.22 C ATOM 54 CD ARG A 4 4.665 -8.115 -5.989 1.00 62.23 C ATOM 55 NE ARG A 4 3.410 -8.585 -6.568 1.00 74.53 N ATOM 56 CZ ARG A 4 2.918 -9.803 -6.368 1.00 24.25 C ATOM 57 NH1 ARG A 4 3.573 -10.669 -5.606 1.00 3.42 N ATOM 58 NH2 ARG A 4 1.769 -10.157 -6.929 1.00 24.32 N ATOM 0 H ARG A 4 8.016 -6.230 -7.091 1.00 41.32 H new ATOM 0 HA ARG A 4 8.857 -7.978 -5.086 1.00 34.14 H new ATOM 0 HB2 ARG A 4 7.372 -9.955 -5.767 1.00 42.14 H new ATOM 0 HB3 ARG A 4 6.667 -8.767 -4.690 1.00 42.14 H new ATOM 0 HG2 ARG A 4 6.193 -8.084 -7.497 1.00 71.22 H new ATOM 0 HG3 ARG A 4 5.599 -9.688 -7.114 1.00 71.22 H new ATOM 0 HD2 ARG A 4 4.689 -8.360 -4.927 1.00 62.23 H new ATOM 0 HD3 ARG A 4 4.716 -7.029 -6.066 1.00 62.23 H new ATOM 0 HE ARG A 4 2.882 -7.943 -7.159 1.00 74.53 H new ATOM 0 HH11 ARG A 4 4.456 -10.400 -5.172 1.00 3.42 H new ATOM 0 HH12 ARG A 4 3.193 -11.603 -5.454 1.00 3.42 H new ATOM 0 HH21 ARG A 4 1.262 -9.494 -7.515 1.00 24.32 H new ATOM 0 HH22 ARG A 4 1.393 -11.092 -6.774 1.00 24.32 H new ATOM 72 N PRO A 5 10.197 -7.882 -7.369 1.00 43.43 N ATOM 73 CA PRO A 5 11.090 -8.251 -8.472 1.00 53.21 C ATOM 74 C PRO A 5 11.725 -9.622 -8.270 1.00 35.41 C ATOM 75 O PRO A 5 11.354 -10.360 -7.356 1.00 42.11 O ATOM 76 CB PRO A 5 12.160 -7.157 -8.444 1.00 0.22 C ATOM 77 CG PRO A 5 12.165 -6.668 -7.036 1.00 62.44 C ATOM 78 CD PRO A 5 10.747 -6.787 -6.552 1.00 32.24 C ATOM 0 HA PRO A 5 10.558 -8.321 -9.421 1.00 53.21 H new ATOM 0 HB2 PRO A 5 13.136 -7.550 -8.730 1.00 0.22 H new ATOM 0 HB3 PRO A 5 11.923 -6.353 -9.141 1.00 0.22 H new ATOM 0 HG2 PRO A 5 12.839 -7.262 -6.419 1.00 62.44 H new ATOM 0 HG3 PRO A 5 12.510 -5.636 -6.983 1.00 62.44 H new ATOM 0 HD2 PRO A 5 10.704 -7.019 -5.488 1.00 32.24 H new ATOM 0 HD3 PRO A 5 10.193 -5.860 -6.698 1.00 32.24 H new ATOM 86 N TYR A 6 12.682 -9.958 -9.127 1.00 60.11 N ATOM 87 CA TYR A 6 13.367 -11.243 -9.043 1.00 40.53 C ATOM 88 C TYR A 6 14.570 -11.159 -8.108 1.00 55.41 C ATOM 89 O TYR A 6 15.160 -10.092 -7.931 1.00 21.34 O ATOM 90 CB TYR A 6 13.818 -11.695 -10.433 1.00 22.20 C ATOM 91 CG TYR A 6 12.693 -11.774 -11.439 1.00 54.44 C ATOM 92 CD1 TYR A 6 11.769 -12.811 -11.400 1.00 24.15 C ATOM 93 CD2 TYR A 6 12.552 -10.809 -12.430 1.00 32.21 C ATOM 94 CE1 TYR A 6 10.740 -12.887 -12.318 1.00 10.14 C ATOM 95 CE2 TYR A 6 11.525 -10.876 -13.351 1.00 74.22 C ATOM 96 CZ TYR A 6 10.622 -11.917 -13.291 1.00 74.12 C ATOM 97 OH TYR A 6 9.597 -11.988 -14.207 1.00 33.33 O ATOM 0 H TYR A 6 13.001 -9.359 -9.888 1.00 60.11 H new ATOM 0 HA TYR A 6 12.667 -11.974 -8.639 1.00 40.53 H new ATOM 0 HB2 TYR A 6 14.576 -11.004 -10.802 1.00 22.20 H new ATOM 0 HB3 TYR A 6 14.291 -12.674 -10.352 1.00 22.20 H new ATOM 0 HD1 TYR A 6 11.857 -13.571 -10.638 1.00 24.15 H new ATOM 0 HD2 TYR A 6 13.258 -9.993 -12.480 1.00 32.21 H new ATOM 0 HE1 TYR A 6 10.032 -13.701 -12.274 1.00 10.14 H new ATOM 0 HE2 TYR A 6 11.429 -10.118 -14.114 1.00 74.22 H new ATOM 0 HH TYR A 6 9.656 -11.228 -14.823 1.00 33.33 H new ATOM 107 N LEU A 7 14.927 -12.291 -7.513 1.00 4.14 N ATOM 108 CA LEU A 7 16.060 -12.348 -6.595 1.00 62.03 C ATOM 109 C LEU A 7 17.367 -12.055 -7.325 1.00 41.40 C ATOM 110 O LEU A 7 17.642 -12.625 -8.380 1.00 5.31 O ATOM 111 CB LEU A 7 16.133 -13.723 -5.928 1.00 52.32 C ATOM 112 CG LEU A 7 16.770 -14.838 -6.757 1.00 63.22 C ATOM 113 CD1 LEU A 7 16.946 -16.094 -5.917 1.00 41.32 C ATOM 114 CD2 LEU A 7 15.930 -15.133 -7.991 1.00 15.01 C ATOM 0 H LEU A 7 14.449 -13.182 -7.649 1.00 4.14 H new ATOM 0 HA LEU A 7 15.914 -11.587 -5.829 1.00 62.03 H new ATOM 0 HB2 LEU A 7 16.693 -13.624 -4.998 1.00 52.32 H new ATOM 0 HB3 LEU A 7 15.122 -14.029 -5.660 1.00 52.32 H new ATOM 0 HG LEU A 7 17.754 -14.503 -7.084 1.00 63.22 H new ATOM 0 HD11 LEU A 7 17.401 -16.877 -6.524 1.00 41.32 H new ATOM 0 HD12 LEU A 7 17.590 -15.875 -5.065 1.00 41.32 H new ATOM 0 HD13 LEU A 7 15.973 -16.432 -5.559 1.00 41.32 H new ATOM 0 HD21 LEU A 7 16.399 -15.929 -8.569 1.00 15.01 H new ATOM 0 HD22 LEU A 7 14.932 -15.446 -7.685 1.00 15.01 H new ATOM 0 HD23 LEU A 7 15.856 -14.235 -8.604 1.00 15.01 H new ATOM 126 N GLY A 8 18.171 -11.162 -6.754 1.00 74.20 N ATOM 127 CA GLY A 8 19.440 -10.810 -7.363 1.00 21.31 C ATOM 128 C GLY A 8 20.612 -11.027 -6.426 1.00 41.32 C ATOM 129 O GLY A 8 21.677 -10.435 -6.605 1.00 52.04 O ATOM 0 H GLY A 8 17.966 -10.677 -5.881 1.00 74.20 H new ATOM 0 HA2 GLY A 8 19.584 -11.405 -8.265 1.00 21.31 H new ATOM 0 HA3 GLY A 8 19.414 -9.765 -7.672 1.00 21.31 H new ATOM 133 N PHE A 9 20.417 -11.876 -5.423 1.00 13.32 N ATOM 134 CA PHE A 9 21.465 -12.167 -4.452 1.00 45.33 C ATOM 135 C PHE A 9 21.638 -13.672 -4.273 1.00 64.13 C ATOM 136 O PHE A 9 20.908 -14.466 -4.866 1.00 64.45 O ATOM 137 CB PHE A 9 21.139 -11.516 -3.106 1.00 41.15 C ATOM 138 CG PHE A 9 19.774 -11.865 -2.587 1.00 55.34 C ATOM 139 CD1 PHE A 9 18.650 -11.203 -3.056 1.00 10.13 C ATOM 140 CD2 PHE A 9 19.614 -12.854 -1.631 1.00 35.04 C ATOM 141 CE1 PHE A 9 17.392 -11.522 -2.580 1.00 52.35 C ATOM 142 CE2 PHE A 9 18.358 -13.177 -1.152 1.00 30.40 C ATOM 143 CZ PHE A 9 17.246 -12.510 -1.626 1.00 51.45 C ATOM 0 H PHE A 9 19.542 -12.375 -5.261 1.00 13.32 H new ATOM 0 HA PHE A 9 22.400 -11.754 -4.830 1.00 45.33 H new ATOM 0 HB2 PHE A 9 21.886 -11.821 -2.373 1.00 41.15 H new ATOM 0 HB3 PHE A 9 21.215 -10.433 -3.207 1.00 41.15 H new ATOM 0 HD1 PHE A 9 18.758 -10.429 -3.802 1.00 10.13 H new ATOM 0 HD2 PHE A 9 20.480 -13.379 -1.255 1.00 35.04 H new ATOM 0 HE1 PHE A 9 16.524 -10.999 -2.954 1.00 52.35 H new ATOM 0 HE2 PHE A 9 18.247 -13.951 -0.407 1.00 30.40 H new ATOM 0 HZ PHE A 9 16.264 -12.760 -1.252 1.00 51.45 H new ATOM 153 N ARG A 10 22.610 -14.057 -3.452 1.00 10.40 N ATOM 154 CA ARG A 10 22.881 -15.466 -3.196 1.00 12.02 C ATOM 155 C ARG A 10 22.578 -15.823 -1.743 1.00 51.54 C ATOM 156 O ARG A 10 22.834 -15.034 -0.833 1.00 72.12 O ATOM 157 CB ARG A 10 24.340 -15.794 -3.519 1.00 54.11 C ATOM 158 CG ARG A 10 24.640 -15.831 -5.009 1.00 32.44 C ATOM 159 CD ARG A 10 25.968 -16.515 -5.292 1.00 62.12 C ATOM 160 NE ARG A 10 26.430 -16.269 -6.656 1.00 24.15 N ATOM 161 CZ ARG A 10 27.438 -16.926 -7.220 1.00 11.33 C ATOM 162 NH1 ARG A 10 28.085 -17.864 -6.542 1.00 12.55 N ATOM 163 NH2 ARG A 10 27.800 -16.645 -8.465 1.00 72.11 N ATOM 0 H ARG A 10 23.223 -13.412 -2.953 1.00 10.40 H new ATOM 0 HA ARG A 10 22.231 -16.058 -3.841 1.00 12.02 H new ATOM 0 HB2 ARG A 10 24.984 -15.053 -3.046 1.00 54.11 H new ATOM 0 HB3 ARG A 10 24.592 -16.760 -3.082 1.00 54.11 H new ATOM 0 HG2 ARG A 10 23.840 -16.357 -5.530 1.00 32.44 H new ATOM 0 HG3 ARG A 10 24.662 -14.815 -5.402 1.00 32.44 H new ATOM 0 HD2 ARG A 10 26.717 -16.158 -4.585 1.00 62.12 H new ATOM 0 HD3 ARG A 10 25.864 -17.588 -5.132 1.00 62.12 H new ATOM 0 HE ARG A 10 25.953 -15.554 -7.205 1.00 24.15 H new ATOM 0 HH11 ARG A 10 27.809 -18.083 -5.585 1.00 12.55 H new ATOM 0 HH12 ARG A 10 28.858 -18.367 -6.978 1.00 12.55 H new ATOM 0 HH21 ARG A 10 27.305 -15.924 -8.990 1.00 72.11 H new ATOM 0 HH22 ARG A 10 28.574 -17.150 -8.897 1.00 72.11 H new ATOM 177 N VAL A 11 22.031 -17.016 -1.534 1.00 53.20 N ATOM 178 CA VAL A 11 21.693 -17.477 -0.193 1.00 23.42 C ATOM 179 C VAL A 11 22.087 -18.937 0.001 1.00 30.41 C ATOM 180 O VAL A 11 21.573 -19.825 -0.678 1.00 74.14 O ATOM 181 CB VAL A 11 20.188 -17.321 0.092 1.00 11.25 C ATOM 182 CG1 VAL A 11 19.839 -15.860 0.335 1.00 62.12 C ATOM 183 CG2 VAL A 11 19.367 -17.890 -1.054 1.00 74.34 C ATOM 0 H VAL A 11 21.812 -17.681 -2.276 1.00 53.20 H new ATOM 0 HA VAL A 11 22.253 -16.856 0.506 1.00 23.42 H new ATOM 0 HB VAL A 11 19.947 -17.882 0.995 1.00 11.25 H new ATOM 0 HG11 VAL A 11 18.771 -15.769 0.535 1.00 62.12 H new ATOM 0 HG12 VAL A 11 20.401 -15.489 1.192 1.00 62.12 H new ATOM 0 HG13 VAL A 11 20.094 -15.273 -0.548 1.00 62.12 H new ATOM 0 HG21 VAL A 11 18.306 -17.771 -0.835 1.00 74.34 H new ATOM 0 HG22 VAL A 11 19.610 -17.359 -1.974 1.00 74.34 H new ATOM 0 HG23 VAL A 11 19.596 -18.949 -1.175 1.00 74.34 H new ATOM 193 N ALA A 12 23.003 -19.179 0.934 1.00 55.23 N ATOM 194 CA ALA A 12 23.464 -20.532 1.219 1.00 13.34 C ATOM 195 C ALA A 12 22.940 -21.017 2.566 1.00 35.45 C ATOM 196 O ALA A 12 23.190 -20.399 3.601 1.00 11.01 O ATOM 197 CB ALA A 12 24.984 -20.588 1.191 1.00 71.11 C ATOM 0 H ALA A 12 23.440 -18.455 1.505 1.00 55.23 H new ATOM 0 HA ALA A 12 23.073 -21.194 0.446 1.00 13.34 H new ATOM 0 HB1 ALA A 12 25.315 -21.604 1.406 1.00 71.11 H new ATOM 0 HB2 ALA A 12 25.341 -20.291 0.205 1.00 71.11 H new ATOM 0 HB3 ALA A 12 25.387 -19.909 1.943 1.00 71.11 H new ATOM 203 N VAL A 13 22.210 -22.128 2.547 1.00 70.53 N ATOM 204 CA VAL A 13 21.651 -22.697 3.767 1.00 74.50 C ATOM 205 C VAL A 13 22.639 -23.648 4.433 1.00 34.32 C ATOM 206 O VAL A 13 23.077 -24.627 3.831 1.00 74.43 O ATOM 207 CB VAL A 13 20.339 -23.453 3.484 1.00 72.53 C ATOM 208 CG1 VAL A 13 20.554 -24.515 2.416 1.00 22.31 C ATOM 209 CG2 VAL A 13 19.795 -24.073 4.762 1.00 70.40 C ATOM 0 H VAL A 13 21.992 -22.652 1.699 1.00 70.53 H new ATOM 0 HA VAL A 13 21.444 -21.864 4.439 1.00 74.50 H new ATOM 0 HB VAL A 13 19.603 -22.741 3.111 1.00 72.53 H new ATOM 0 HG11 VAL A 13 19.616 -25.039 2.230 1.00 22.31 H new ATOM 0 HG12 VAL A 13 20.894 -24.041 1.495 1.00 22.31 H new ATOM 0 HG13 VAL A 13 21.305 -25.227 2.757 1.00 22.31 H new ATOM 0 HG21 VAL A 13 18.868 -24.603 4.543 1.00 70.40 H new ATOM 0 HG22 VAL A 13 20.526 -24.773 5.167 1.00 70.40 H new ATOM 0 HG23 VAL A 13 19.600 -23.288 5.493 1.00 70.40 H new ATOM 219 N GLY A 14 22.986 -23.353 5.682 1.00 12.23 N ATOM 220 CA GLY A 14 23.920 -24.191 6.411 1.00 72.33 C ATOM 221 C GLY A 14 23.839 -23.983 7.910 1.00 52.41 C ATOM 222 O GLY A 14 22.761 -23.735 8.451 1.00 4.44 O ATOM 0 H GLY A 14 22.637 -22.548 6.202 1.00 12.23 H new ATOM 0 HA2 GLY A 14 23.720 -25.238 6.181 1.00 72.33 H new ATOM 0 HA3 GLY A 14 24.934 -23.979 6.072 1.00 72.33 H new ATOM 226 N ARG A 15 24.980 -24.085 8.583 1.00 44.25 N ATOM 227 CA ARG A 15 25.033 -23.908 10.029 1.00 65.32 C ATOM 228 C ARG A 15 26.174 -22.974 10.421 1.00 24.10 C ATOM 229 O ARG A 15 27.230 -22.967 9.788 1.00 62.52 O ATOM 230 CB ARG A 15 25.206 -25.261 10.723 1.00 51.41 C ATOM 231 CG ARG A 15 24.924 -25.219 12.216 1.00 73.31 C ATOM 232 CD ARG A 15 23.572 -25.834 12.545 1.00 41.34 C ATOM 233 NE ARG A 15 23.449 -26.159 13.963 1.00 1.31 N ATOM 234 CZ ARG A 15 24.110 -27.150 14.550 1.00 63.21 C ATOM 235 NH1 ARG A 15 24.937 -27.909 13.844 1.00 22.10 N ATOM 236 NH2 ARG A 15 23.945 -27.384 15.846 1.00 44.24 N ATOM 0 H ARG A 15 25.881 -24.289 8.150 1.00 44.25 H new ATOM 0 HA ARG A 15 24.093 -23.460 10.350 1.00 65.32 H new ATOM 0 HB2 ARG A 15 24.540 -25.987 10.256 1.00 51.41 H new ATOM 0 HB3 ARG A 15 26.225 -25.614 10.564 1.00 51.41 H new ATOM 0 HG2 ARG A 15 25.708 -25.755 12.751 1.00 73.31 H new ATOM 0 HG3 ARG A 15 24.949 -24.186 12.563 1.00 73.31 H new ATOM 0 HD2 ARG A 15 22.780 -25.141 12.262 1.00 41.34 H new ATOM 0 HD3 ARG A 15 23.431 -26.738 11.952 1.00 41.34 H new ATOM 0 HE ARG A 15 22.821 -25.594 14.534 1.00 1.31 H new ATOM 0 HH11 ARG A 15 25.067 -27.732 12.848 1.00 22.10 H new ATOM 0 HH12 ARG A 15 25.444 -28.670 14.297 1.00 22.10 H new ATOM 0 HH21 ARG A 15 23.310 -26.802 16.392 1.00 44.24 H new ATOM 0 HH22 ARG A 15 24.453 -28.146 16.296 1.00 44.24 H new ATOM 250 N ASP A 16 25.954 -22.187 11.468 1.00 11.11 N ATOM 251 CA ASP A 16 26.963 -21.249 11.945 1.00 4.24 C ATOM 252 C ASP A 16 27.757 -21.847 13.103 1.00 40.03 C ATOM 253 O ASP A 16 27.548 -22.999 13.482 1.00 33.20 O ATOM 254 CB ASP A 16 26.306 -19.939 12.384 1.00 23.22 C ATOM 255 CG ASP A 16 25.043 -20.167 13.190 1.00 32.24 C ATOM 256 OD1 ASP A 16 23.991 -20.445 12.578 1.00 53.42 O ATOM 257 OD2 ASP A 16 25.106 -20.067 14.434 1.00 73.22 O ATOM 0 H ASP A 16 25.085 -22.180 12.003 1.00 11.11 H new ATOM 0 HA ASP A 16 27.650 -21.045 11.124 1.00 4.24 H new ATOM 0 HB2 ASP A 16 27.014 -19.362 12.979 1.00 23.22 H new ATOM 0 HB3 ASP A 16 26.069 -19.342 11.503 1.00 23.22 H new ATOM 262 N SER A 17 28.669 -21.056 13.659 1.00 64.51 N ATOM 263 CA SER A 17 29.498 -21.510 14.770 1.00 43.51 C ATOM 264 C SER A 17 28.644 -21.812 15.997 1.00 32.10 C ATOM 265 O SER A 17 29.028 -22.608 16.854 1.00 42.20 O ATOM 266 CB SER A 17 30.549 -20.452 15.114 1.00 20.22 C ATOM 267 OG SER A 17 31.725 -21.051 15.630 1.00 21.13 O ATOM 0 H SER A 17 28.853 -20.099 13.359 1.00 64.51 H new ATOM 0 HA SER A 17 30.001 -22.427 14.465 1.00 43.51 H new ATOM 0 HB2 SER A 17 30.793 -19.874 14.223 1.00 20.22 H new ATOM 0 HB3 SER A 17 30.141 -19.754 15.845 1.00 20.22 H new ATOM 0 HG SER A 17 32.382 -20.355 15.841 1.00 21.13 H new ATOM 273 N SER A 18 27.482 -21.171 16.074 1.00 10.11 N ATOM 274 CA SER A 18 26.573 -21.368 17.198 1.00 44.54 C ATOM 275 C SER A 18 25.636 -22.543 16.939 1.00 54.34 C ATOM 276 O SER A 18 25.568 -23.483 17.729 1.00 73.12 O ATOM 277 CB SER A 18 25.760 -20.097 17.451 1.00 74.10 C ATOM 278 OG SER A 18 24.418 -20.409 17.785 1.00 41.14 O ATOM 0 H SER A 18 27.148 -20.511 15.372 1.00 10.11 H new ATOM 0 HA SER A 18 27.170 -21.591 18.082 1.00 44.54 H new ATOM 0 HB2 SER A 18 26.216 -19.525 18.259 1.00 74.10 H new ATOM 0 HB3 SER A 18 25.780 -19.466 16.563 1.00 74.10 H new ATOM 0 HG SER A 18 23.919 -19.580 17.944 1.00 41.14 H new ATOM 284 N GLY A 19 24.913 -22.481 15.824 1.00 11.32 N ATOM 285 CA GLY A 19 23.988 -23.545 15.480 1.00 41.23 C ATOM 286 C GLY A 19 22.541 -23.099 15.545 1.00 51.33 C ATOM 287 O GLY A 19 21.771 -23.586 16.373 1.00 12.02 O ATOM 0 H GLY A 19 24.952 -21.713 15.154 1.00 11.32 H new ATOM 0 HA2 GLY A 19 24.209 -23.904 14.475 1.00 41.23 H new ATOM 0 HA3 GLY A 19 24.137 -24.385 16.158 1.00 41.23 H new ATOM 291 N CYS A 20 22.170 -22.169 14.671 1.00 62.51 N ATOM 292 CA CYS A 20 20.806 -21.655 14.634 1.00 34.50 C ATOM 293 C CYS A 20 20.154 -21.939 13.284 1.00 21.15 C ATOM 294 O CYS A 20 18.941 -21.796 13.125 1.00 23.13 O ATOM 295 CB CYS A 20 20.797 -20.152 14.912 1.00 3.40 C ATOM 296 SG CYS A 20 21.330 -19.139 13.512 1.00 71.11 S ATOM 0 H CYS A 20 22.795 -21.756 13.979 1.00 62.51 H new ATOM 0 HA CYS A 20 20.232 -22.163 15.409 1.00 34.50 H new ATOM 0 HB2 CYS A 20 19.789 -19.853 15.200 1.00 3.40 H new ATOM 0 HB3 CYS A 20 21.446 -19.947 15.763 1.00 3.40 H new ATOM 0 HG CYS A 20 22.449 -19.603 13.042 1.00 71.11 H new ATOM 302 N THR A 21 20.968 -22.341 12.313 1.00 51.21 N ATOM 303 CA THR A 21 20.472 -22.642 10.976 1.00 52.30 C ATOM 304 C THR A 21 19.928 -21.390 10.296 1.00 24.05 C ATOM 305 O THR A 21 18.741 -21.080 10.400 1.00 70.14 O ATOM 306 CB THR A 21 19.365 -23.712 11.015 1.00 21.42 C ATOM 307 OG1 THR A 21 19.543 -24.560 12.156 1.00 43.34 O ATOM 308 CG2 THR A 21 19.379 -24.552 9.746 1.00 12.44 C ATOM 0 H THR A 21 21.974 -22.466 12.428 1.00 51.21 H new ATOM 0 HA THR A 21 21.318 -23.025 10.405 1.00 52.30 H new ATOM 0 HB THR A 21 18.403 -23.205 11.086 1.00 21.42 H new ATOM 0 HG1 THR A 21 18.834 -25.237 12.175 1.00 43.34 H new ATOM 0 HG21 THR A 21 18.589 -25.301 9.797 1.00 12.44 H new ATOM 0 HG22 THR A 21 19.214 -23.908 8.882 1.00 12.44 H new ATOM 0 HG23 THR A 21 20.344 -25.049 9.649 1.00 12.44 H new ATOM 316 N THR A 22 20.805 -20.672 9.600 1.00 34.51 N ATOM 317 CA THR A 22 20.413 -19.454 8.904 1.00 54.34 C ATOM 318 C THR A 22 21.139 -19.325 7.569 1.00 34.24 C ATOM 319 O THR A 22 22.193 -19.927 7.364 1.00 25.33 O ATOM 320 CB THR A 22 20.701 -18.203 9.755 1.00 41.33 C ATOM 321 OG1 THR A 22 20.544 -17.022 8.960 1.00 73.33 O ATOM 322 CG2 THR A 22 22.110 -18.251 10.327 1.00 12.31 C ATOM 0 H THR A 22 21.791 -20.914 9.504 1.00 34.51 H new ATOM 0 HA THR A 22 19.340 -19.524 8.726 1.00 54.34 H new ATOM 0 HB THR A 22 19.990 -18.181 10.581 1.00 41.33 H new ATOM 0 HG1 THR A 22 21.144 -16.322 9.292 1.00 73.33 H new ATOM 0 HG21 THR A 22 22.291 -17.357 10.924 1.00 12.31 H new ATOM 0 HG22 THR A 22 22.218 -19.135 10.955 1.00 12.31 H new ATOM 0 HG23 THR A 22 22.832 -18.295 9.512 1.00 12.31 H new ATOM 330 N LEU A 23 20.569 -18.537 6.665 1.00 53.22 N ATOM 331 CA LEU A 23 21.163 -18.328 5.349 1.00 72.32 C ATOM 332 C LEU A 23 21.990 -17.047 5.322 1.00 65.43 C ATOM 333 O LEU A 23 21.600 -16.032 5.897 1.00 54.42 O ATOM 334 CB LEU A 23 20.071 -18.267 4.279 1.00 43.52 C ATOM 335 CG LEU A 23 19.653 -19.605 3.668 1.00 4.32 C ATOM 336 CD1 LEU A 23 19.148 -20.549 4.748 1.00 71.24 C ATOM 337 CD2 LEU A 23 18.590 -19.395 2.600 1.00 2.40 C ATOM 0 H LEU A 23 19.696 -18.032 6.819 1.00 53.22 H new ATOM 0 HA LEU A 23 21.824 -19.169 5.138 1.00 72.32 H new ATOM 0 HB2 LEU A 23 19.189 -17.798 4.715 1.00 43.52 H new ATOM 0 HB3 LEU A 23 20.414 -17.615 3.476 1.00 43.52 H new ATOM 0 HG LEU A 23 20.526 -20.057 3.198 1.00 4.32 H new ATOM 0 HD11 LEU A 23 18.855 -21.496 4.295 1.00 71.24 H new ATOM 0 HD12 LEU A 23 19.939 -20.725 5.477 1.00 71.24 H new ATOM 0 HD13 LEU A 23 18.287 -20.104 5.247 1.00 71.24 H new ATOM 0 HD21 LEU A 23 18.305 -20.358 2.176 1.00 2.40 H new ATOM 0 HD22 LEU A 23 17.715 -18.921 3.045 1.00 2.40 H new ATOM 0 HD23 LEU A 23 18.987 -18.755 1.812 1.00 2.40 H new ATOM 349 N SER A 24 23.135 -17.103 4.648 1.00 10.51 N ATOM 350 CA SER A 24 24.019 -15.947 4.547 1.00 71.20 C ATOM 351 C SER A 24 23.953 -15.333 3.152 1.00 15.31 C ATOM 352 O SER A 24 23.894 -16.046 2.150 1.00 20.11 O ATOM 353 CB SER A 24 25.459 -16.350 4.871 1.00 32.11 C ATOM 354 OG SER A 24 26.238 -16.452 3.692 1.00 53.43 O ATOM 0 H SER A 24 23.472 -17.935 4.164 1.00 10.51 H new ATOM 0 HA SER A 24 23.686 -15.202 5.269 1.00 71.20 H new ATOM 0 HB2 SER A 24 25.903 -15.615 5.542 1.00 32.11 H new ATOM 0 HB3 SER A 24 25.463 -17.305 5.397 1.00 32.11 H new ATOM 0 HG SER A 24 27.154 -16.709 3.926 1.00 53.43 H new ATOM 360 N ILE A 25 23.962 -14.005 3.096 1.00 31.23 N ATOM 361 CA ILE A 25 23.904 -13.294 1.825 1.00 32.22 C ATOM 362 C ILE A 25 25.299 -12.903 1.350 1.00 60.43 C ATOM 363 O ILE A 25 25.980 -12.101 1.988 1.00 62.32 O ATOM 364 CB ILE A 25 23.035 -12.027 1.928 1.00 1.34 C ATOM 365 CG1 ILE A 25 21.752 -12.323 2.708 1.00 62.35 C ATOM 366 CG2 ILE A 25 22.708 -11.495 0.541 1.00 12.42 C ATOM 367 CD1 ILE A 25 20.835 -11.128 2.839 1.00 1.43 C ATOM 0 H ILE A 25 24.009 -13.400 3.916 1.00 31.23 H new ATOM 0 HA ILE A 25 23.454 -13.975 1.102 1.00 32.22 H new ATOM 0 HB ILE A 25 23.596 -11.263 2.466 1.00 1.34 H new ATOM 0 HG12 ILE A 25 21.214 -13.131 2.213 1.00 62.35 H new ATOM 0 HG13 ILE A 25 22.016 -12.679 3.704 1.00 62.35 H new ATOM 0 HG21 ILE A 25 22.093 -10.599 0.630 1.00 12.42 H new ATOM 0 HG22 ILE A 25 23.632 -11.250 0.018 1.00 12.42 H new ATOM 0 HG23 ILE A 25 22.164 -12.254 -0.021 1.00 12.42 H new ATOM 0 HD11 ILE A 25 19.946 -11.411 3.403 1.00 1.43 H new ATOM 0 HD12 ILE A 25 21.356 -10.325 3.361 1.00 1.43 H new ATOM 0 HD13 ILE A 25 20.541 -10.785 1.847 1.00 1.43 H new ATOM 379 N GLN A 26 25.716 -13.475 0.225 1.00 44.45 N ATOM 380 CA GLN A 26 27.030 -13.185 -0.337 1.00 44.41 C ATOM 381 C GLN A 26 26.955 -12.029 -1.329 1.00 43.14 C ATOM 382 O GLN A 26 27.883 -11.805 -2.107 1.00 34.44 O ATOM 383 CB GLN A 26 27.600 -14.427 -1.025 1.00 12.33 C ATOM 384 CG GLN A 26 28.119 -15.475 -0.054 1.00 63.12 C ATOM 385 CD GLN A 26 27.686 -16.880 -0.425 1.00 53.42 C ATOM 386 OE1 GLN A 26 28.351 -17.562 -1.205 1.00 42.51 O ATOM 387 NE2 GLN A 26 26.564 -17.320 0.133 1.00 24.22 N ATOM 0 H GLN A 26 25.164 -14.141 -0.315 1.00 44.45 H new ATOM 0 HA GLN A 26 27.691 -12.896 0.480 1.00 44.41 H new ATOM 0 HB2 GLN A 26 26.826 -14.874 -1.650 1.00 12.33 H new ATOM 0 HB3 GLN A 26 28.410 -14.125 -1.688 1.00 12.33 H new ATOM 0 HG2 GLN A 26 29.208 -15.430 -0.025 1.00 63.12 H new ATOM 0 HG3 GLN A 26 27.763 -15.242 0.950 1.00 63.12 H new ATOM 0 HE21 GLN A 26 26.044 -16.721 0.774 1.00 24.22 H new ATOM 0 HE22 GLN A 26 26.222 -18.257 -0.080 1.00 24.22 H new ATOM 396 N GLU A 27 25.845 -11.298 -1.297 1.00 20.52 N ATOM 397 CA GLU A 27 25.650 -10.166 -2.195 1.00 34.51 C ATOM 398 C GLU A 27 24.907 -9.035 -1.490 1.00 44.42 C ATOM 399 O GLU A 27 24.600 -9.124 -0.301 1.00 71.35 O ATOM 400 CB GLU A 27 24.874 -10.603 -3.440 1.00 13.44 C ATOM 401 CG GLU A 27 25.580 -11.675 -4.252 1.00 52.34 C ATOM 402 CD GLU A 27 25.215 -11.627 -5.723 1.00 40.44 C ATOM 403 OE1 GLU A 27 24.987 -10.514 -6.243 1.00 22.23 O ATOM 404 OE2 GLU A 27 25.158 -12.702 -6.355 1.00 73.42 O ATOM 0 H GLU A 27 25.068 -11.470 -0.659 1.00 20.52 H new ATOM 0 HA GLU A 27 26.631 -9.800 -2.497 1.00 34.51 H new ATOM 0 HB2 GLU A 27 23.896 -10.975 -3.136 1.00 13.44 H new ATOM 0 HB3 GLU A 27 24.702 -9.733 -4.074 1.00 13.44 H new ATOM 0 HG2 GLU A 27 26.658 -11.556 -4.145 1.00 52.34 H new ATOM 0 HG3 GLU A 27 25.326 -12.656 -3.850 1.00 52.34 H new ATOM 411 N VAL A 28 24.623 -7.969 -2.232 1.00 70.13 N ATOM 412 CA VAL A 28 23.917 -6.819 -1.680 1.00 73.31 C ATOM 413 C VAL A 28 22.674 -6.492 -2.500 1.00 51.02 C ATOM 414 O VAL A 28 22.736 -5.730 -3.465 1.00 54.35 O ATOM 415 CB VAL A 28 24.824 -5.576 -1.626 1.00 24.14 C ATOM 416 CG1 VAL A 28 25.791 -5.672 -0.455 1.00 44.34 C ATOM 417 CG2 VAL A 28 25.577 -5.408 -2.937 1.00 73.31 C ATOM 0 H VAL A 28 24.871 -7.878 -3.217 1.00 70.13 H new ATOM 0 HA VAL A 28 23.620 -7.087 -0.666 1.00 73.31 H new ATOM 0 HB VAL A 28 24.197 -4.696 -1.479 1.00 24.14 H new ATOM 0 HG11 VAL A 28 26.424 -4.785 -0.432 1.00 44.34 H new ATOM 0 HG12 VAL A 28 25.229 -5.740 0.476 1.00 44.34 H new ATOM 0 HG13 VAL A 28 26.414 -6.559 -0.569 1.00 44.34 H new ATOM 0 HG21 VAL A 28 26.213 -4.525 -2.881 1.00 73.31 H new ATOM 0 HG22 VAL A 28 26.194 -6.288 -3.118 1.00 73.31 H new ATOM 0 HG23 VAL A 28 24.864 -5.291 -3.753 1.00 73.31 H new ATOM 427 N THR A 29 21.544 -7.073 -2.110 1.00 33.14 N ATOM 428 CA THR A 29 20.285 -6.844 -2.808 1.00 64.33 C ATOM 429 C THR A 29 19.545 -5.645 -2.228 1.00 53.24 C ATOM 430 O THR A 29 18.383 -5.405 -2.555 1.00 52.34 O ATOM 431 CB THR A 29 19.371 -8.081 -2.738 1.00 35.52 C ATOM 432 OG1 THR A 29 18.177 -7.852 -3.494 1.00 54.31 O ATOM 433 CG2 THR A 29 19.009 -8.406 -1.296 1.00 41.41 C ATOM 0 H THR A 29 21.475 -7.706 -1.313 1.00 33.14 H new ATOM 0 HA THR A 29 20.533 -6.644 -3.850 1.00 64.33 H new ATOM 0 HB THR A 29 19.911 -8.928 -3.161 1.00 35.52 H new ATOM 0 HG1 THR A 29 17.842 -6.950 -3.311 1.00 54.31 H new ATOM 0 HG21 THR A 29 18.363 -9.283 -1.272 1.00 41.41 H new ATOM 0 HG22 THR A 29 19.918 -8.609 -0.730 1.00 41.41 H new ATOM 0 HG23 THR A 29 18.487 -7.559 -0.852 1.00 41.41 H new ATOM 441 N GLN A 30 20.225 -4.895 -1.367 1.00 73.10 N ATOM 442 CA GLN A 30 19.629 -3.720 -0.742 1.00 4.01 C ATOM 443 C GLN A 30 19.886 -2.470 -1.578 1.00 34.24 C ATOM 444 O GLN A 30 20.287 -1.430 -1.053 1.00 73.53 O ATOM 445 CB GLN A 30 20.189 -3.528 0.669 1.00 71.12 C ATOM 446 CG GLN A 30 19.514 -4.401 1.715 1.00 64.23 C ATOM 447 CD GLN A 30 19.518 -3.769 3.093 1.00 70.33 C ATOM 448 OE1 GLN A 30 20.572 -3.587 3.702 1.00 44.32 O ATOM 449 NE2 GLN A 30 18.335 -3.431 3.592 1.00 20.23 N ATOM 0 H GLN A 30 21.188 -5.080 -1.086 1.00 73.10 H new ATOM 0 HA GLN A 30 18.552 -3.879 -0.680 1.00 4.01 H new ATOM 0 HB2 GLN A 30 21.257 -3.746 0.660 1.00 71.12 H new ATOM 0 HB3 GLN A 30 20.080 -2.482 0.955 1.00 71.12 H new ATOM 0 HG2 GLN A 30 18.485 -4.595 1.412 1.00 64.23 H new ATOM 0 HG3 GLN A 30 20.021 -5.365 1.760 1.00 64.23 H new ATOM 0 HE21 GLN A 30 17.486 -3.600 3.052 1.00 20.23 H new ATOM 0 HE22 GLN A 30 18.275 -3.002 4.515 1.00 20.23 H new ATOM 458 N THR A 31 19.652 -2.578 -2.882 1.00 31.11 N ATOM 459 CA THR A 31 19.859 -1.458 -3.791 1.00 13.33 C ATOM 460 C THR A 31 18.697 -1.321 -4.768 1.00 12.30 C ATOM 461 O THR A 31 18.874 -0.868 -5.899 1.00 65.12 O ATOM 462 CB THR A 31 21.168 -1.614 -4.587 1.00 23.25 C ATOM 463 OG1 THR A 31 21.181 -2.875 -5.266 1.00 2.23 O ATOM 464 CG2 THR A 31 22.376 -1.516 -3.666 1.00 53.24 C ATOM 0 H THR A 31 19.319 -3.430 -3.332 1.00 31.11 H new ATOM 0 HA THR A 31 19.922 -0.560 -3.176 1.00 13.33 H new ATOM 0 HB THR A 31 21.221 -0.807 -5.318 1.00 23.25 H new ATOM 0 HG1 THR A 31 22.016 -2.966 -5.771 1.00 2.23 H new ATOM 0 HG21 THR A 31 23.289 -1.629 -4.250 1.00 53.24 H new ATOM 0 HG22 THR A 31 22.379 -0.544 -3.172 1.00 53.24 H new ATOM 0 HG23 THR A 31 22.326 -2.304 -2.915 1.00 53.24 H new ATOM 472 N TYR A 32 17.508 -1.713 -4.325 1.00 31.53 N ATOM 473 CA TYR A 32 16.316 -1.636 -5.162 1.00 4.14 C ATOM 474 C TYR A 32 15.230 -0.805 -4.487 1.00 13.34 C ATOM 475 O TYR A 32 15.103 -0.802 -3.262 1.00 22.25 O ATOM 476 CB TYR A 32 15.787 -3.039 -5.463 1.00 43.04 C ATOM 477 CG TYR A 32 16.212 -3.569 -6.814 1.00 51.45 C ATOM 478 CD1 TYR A 32 17.501 -4.044 -7.023 1.00 35.33 C ATOM 479 CD2 TYR A 32 15.324 -3.594 -7.883 1.00 34.23 C ATOM 480 CE1 TYR A 32 17.893 -4.528 -8.256 1.00 32.34 C ATOM 481 CE2 TYR A 32 15.707 -4.078 -9.119 1.00 12.22 C ATOM 482 CZ TYR A 32 16.992 -4.543 -9.300 1.00 64.24 C ATOM 483 OH TYR A 32 17.379 -5.026 -10.530 1.00 11.13 O ATOM 0 H TYR A 32 17.343 -2.088 -3.391 1.00 31.53 H new ATOM 0 HA TYR A 32 16.591 -1.150 -6.098 1.00 4.14 H new ATOM 0 HB2 TYR A 32 16.134 -3.723 -4.688 1.00 43.04 H new ATOM 0 HB3 TYR A 32 14.698 -3.026 -5.413 1.00 43.04 H new ATOM 0 HD1 TYR A 32 18.209 -4.035 -6.207 1.00 35.33 H new ATOM 0 HD2 TYR A 32 14.317 -3.229 -7.745 1.00 34.23 H new ATOM 0 HE1 TYR A 32 18.899 -4.893 -8.402 1.00 32.34 H new ATOM 0 HE2 TYR A 32 15.004 -4.092 -9.939 1.00 12.22 H new ATOM 0 HH TYR A 32 16.627 -4.968 -11.156 1.00 11.13 H new ATOM 493 N THR A 33 14.445 -0.099 -5.295 1.00 62.04 N ATOM 494 CA THR A 33 13.369 0.737 -4.779 1.00 2.14 C ATOM 495 C THR A 33 12.045 -0.018 -4.765 1.00 12.35 C ATOM 496 O THR A 33 11.938 -1.114 -5.313 1.00 10.21 O ATOM 497 CB THR A 33 13.206 2.022 -5.613 1.00 30.23 C ATOM 498 OG1 THR A 33 12.185 2.849 -5.044 1.00 33.32 O ATOM 499 CG2 THR A 33 12.852 1.690 -7.054 1.00 61.34 C ATOM 0 H THR A 33 14.535 -0.090 -6.311 1.00 62.04 H new ATOM 0 HA THR A 33 13.641 1.008 -3.759 1.00 2.14 H new ATOM 0 HB THR A 33 14.155 2.558 -5.603 1.00 30.23 H new ATOM 0 HG1 THR A 33 11.330 2.663 -5.485 1.00 33.32 H new ATOM 0 HG21 THR A 33 12.742 2.613 -7.624 1.00 61.34 H new ATOM 0 HG22 THR A 33 13.645 1.085 -7.493 1.00 61.34 H new ATOM 0 HG23 THR A 33 11.915 1.134 -7.080 1.00 61.34 H new ATOM 507 N GLY A 34 11.037 0.577 -4.134 1.00 35.12 N ATOM 508 CA GLY A 34 9.732 -0.054 -4.061 1.00 33.20 C ATOM 509 C GLY A 34 8.821 0.364 -5.199 1.00 23.53 C ATOM 510 O GLY A 34 7.607 0.470 -5.024 1.00 45.22 O ATOM 0 H GLY A 34 11.101 1.484 -3.672 1.00 35.12 H new ATOM 0 HA2 GLY A 34 9.854 -1.137 -4.077 1.00 33.20 H new ATOM 0 HA3 GLY A 34 9.262 0.200 -3.111 1.00 33.20 H new ATOM 514 N SER A 35 9.408 0.602 -6.367 1.00 42.21 N ATOM 515 CA SER A 35 8.642 1.016 -7.537 1.00 3.32 C ATOM 516 C SER A 35 8.098 2.430 -7.357 1.00 14.00 C ATOM 517 O SER A 35 8.618 3.385 -7.932 1.00 74.04 O ATOM 518 CB SER A 35 7.490 0.042 -7.789 1.00 61.03 C ATOM 519 OG SER A 35 7.669 -0.654 -9.010 1.00 64.53 O ATOM 0 H SER A 35 10.411 0.515 -6.529 1.00 42.21 H new ATOM 0 HA SER A 35 9.309 1.009 -8.399 1.00 3.32 H new ATOM 0 HB2 SER A 35 7.426 -0.671 -6.967 1.00 61.03 H new ATOM 0 HB3 SER A 35 6.547 0.588 -7.813 1.00 61.03 H new ATOM 0 HG SER A 35 6.921 -1.272 -9.147 1.00 64.53 H new ATOM 525 N ASN A 36 7.046 2.555 -6.554 1.00 21.53 N ATOM 526 CA ASN A 36 6.429 3.851 -6.297 1.00 43.05 C ATOM 527 C ASN A 36 7.176 4.601 -5.198 1.00 73.22 C ATOM 528 O ASN A 36 6.585 5.006 -4.198 1.00 5.31 O ATOM 529 CB ASN A 36 4.962 3.672 -5.902 1.00 61.13 C ATOM 530 CG ASN A 36 4.200 4.983 -5.899 1.00 1.03 C ATOM 531 OD1 ASN A 36 4.180 5.705 -6.896 1.00 22.03 O ATOM 532 ND2 ASN A 36 3.568 5.297 -4.774 1.00 23.24 N ATOM 0 H ASN A 36 6.603 1.774 -6.070 1.00 21.53 H new ATOM 0 HA ASN A 36 6.482 4.439 -7.214 1.00 43.05 H new ATOM 0 HB2 ASN A 36 4.484 2.979 -6.594 1.00 61.13 H new ATOM 0 HB3 ASN A 36 4.908 3.221 -4.911 1.00 61.13 H new ATOM 0 HD21 ASN A 36 3.039 6.167 -4.712 1.00 23.24 H new ATOM 0 HD22 ASN A 36 3.612 4.668 -3.972 1.00 23.24 H new ATOM 539 N GLY A 37 8.479 4.782 -5.392 1.00 74.04 N ATOM 540 CA GLY A 37 9.285 5.483 -4.410 1.00 74.01 C ATOM 541 C GLY A 37 10.455 6.215 -5.036 1.00 61.12 C ATOM 542 O GLY A 37 10.501 7.444 -5.032 1.00 44.24 O ATOM 0 H GLY A 37 8.991 4.456 -6.212 1.00 74.04 H new ATOM 0 HA2 GLY A 37 8.659 6.196 -3.873 1.00 74.01 H new ATOM 0 HA3 GLY A 37 9.658 4.770 -3.675 1.00 74.01 H new ATOM 546 N GLY A 38 11.406 5.457 -5.575 1.00 35.10 N ATOM 547 CA GLY A 38 12.570 6.059 -6.198 1.00 73.54 C ATOM 548 C GLY A 38 13.078 5.252 -7.377 1.00 53.43 C ATOM 549 O GLY A 38 12.407 5.153 -8.405 1.00 25.14 O ATOM 0 H GLY A 38 11.391 4.437 -5.591 1.00 35.10 H new ATOM 0 HA2 GLY A 38 12.320 7.066 -6.532 1.00 73.54 H new ATOM 0 HA3 GLY A 38 13.365 6.156 -5.458 1.00 73.54 H new ATOM 553 N ALA A 39 14.266 4.677 -7.230 1.00 65.33 N ATOM 554 CA ALA A 39 14.864 3.875 -8.291 1.00 54.23 C ATOM 555 C ALA A 39 15.985 2.996 -7.750 1.00 23.53 C ATOM 556 O ALA A 39 16.598 3.312 -6.730 1.00 34.14 O ATOM 557 CB ALA A 39 15.385 4.775 -9.402 1.00 61.42 C ATOM 0 H ALA A 39 14.834 4.751 -6.386 1.00 65.33 H new ATOM 0 HA ALA A 39 14.092 3.222 -8.699 1.00 54.23 H new ATOM 0 HB1 ALA A 39 15.829 4.163 -10.188 1.00 61.42 H new ATOM 0 HB2 ALA A 39 14.561 5.356 -9.816 1.00 61.42 H new ATOM 0 HB3 ALA A 39 16.139 5.451 -8.999 1.00 61.42 H new ATOM 563 N ASP A 40 16.249 1.891 -8.438 1.00 71.52 N ATOM 564 CA ASP A 40 17.298 0.965 -8.026 1.00 73.22 C ATOM 565 C ASP A 40 18.617 1.700 -7.809 1.00 35.14 C ATOM 566 O ASP A 40 19.300 2.067 -8.765 1.00 63.01 O ATOM 567 CB ASP A 40 17.479 -0.134 -9.075 1.00 12.31 C ATOM 568 CG ASP A 40 16.156 -0.693 -9.562 1.00 45.53 C ATOM 569 OD1 ASP A 40 15.173 -0.642 -8.795 1.00 54.12 O ATOM 570 OD2 ASP A 40 16.106 -1.181 -10.711 1.00 34.44 O ATOM 0 H ASP A 40 15.751 1.614 -9.284 1.00 71.52 H new ATOM 0 HA ASP A 40 16.997 0.510 -7.083 1.00 73.22 H new ATOM 0 HB2 ASP A 40 18.036 0.265 -9.923 1.00 12.31 H new ATOM 0 HB3 ASP A 40 18.078 -0.941 -8.652 1.00 12.31 H new ATOM 575 N LEU A 41 18.968 1.913 -6.545 1.00 73.32 N ATOM 576 CA LEU A 41 20.205 2.605 -6.201 1.00 53.32 C ATOM 577 C LEU A 41 20.691 2.196 -4.815 1.00 34.44 C ATOM 578 O LEU A 41 19.954 1.580 -4.045 1.00 13.33 O ATOM 579 CB LEU A 41 19.996 4.120 -6.254 1.00 60.21 C ATOM 580 CG LEU A 41 21.014 4.909 -7.077 1.00 44.34 C ATOM 581 CD1 LEU A 41 20.308 5.870 -8.021 1.00 0.31 C ATOM 582 CD2 LEU A 41 21.970 5.662 -6.164 1.00 2.25 C ATOM 0 H LEU A 41 18.413 1.616 -5.742 1.00 73.32 H new ATOM 0 HA LEU A 41 20.965 2.323 -6.930 1.00 53.32 H new ATOM 0 HB2 LEU A 41 19.003 4.316 -6.657 1.00 60.21 H new ATOM 0 HB3 LEU A 41 20.007 4.504 -5.234 1.00 60.21 H new ATOM 0 HG LEU A 41 21.593 4.205 -7.674 1.00 44.34 H new ATOM 0 HD11 LEU A 41 21.049 6.423 -8.598 1.00 0.31 H new ATOM 0 HD12 LEU A 41 19.665 5.308 -8.699 1.00 0.31 H new ATOM 0 HD13 LEU A 41 19.703 6.569 -7.443 1.00 0.31 H new ATOM 0 HD21 LEU A 41 22.688 6.218 -6.768 1.00 2.25 H new ATOM 0 HD22 LEU A 41 21.407 6.355 -5.540 1.00 2.25 H new ATOM 0 HD23 LEU A 41 22.502 4.953 -5.530 1.00 2.25 H new ATOM 594 N MET A 42 21.935 2.543 -4.503 1.00 11.22 N ATOM 595 CA MET A 42 22.518 2.214 -3.207 1.00 52.31 C ATOM 596 C MET A 42 21.927 3.091 -2.107 1.00 65.21 C ATOM 597 O MET A 42 22.300 4.254 -1.960 1.00 53.23 O ATOM 598 CB MET A 42 24.038 2.384 -3.250 1.00 33.21 C ATOM 599 CG MET A 42 24.726 1.446 -4.228 1.00 44.43 C ATOM 600 SD MET A 42 26.204 2.173 -4.963 1.00 24.42 S ATOM 601 CE MET A 42 25.830 2.011 -6.707 1.00 22.01 C ATOM 0 H MET A 42 22.559 3.052 -5.129 1.00 11.22 H new ATOM 0 HA MET A 42 22.282 1.173 -2.984 1.00 52.31 H new ATOM 0 HB2 MET A 42 24.273 3.414 -3.520 1.00 33.21 H new ATOM 0 HB3 MET A 42 24.443 2.216 -2.252 1.00 33.21 H new ATOM 0 HG2 MET A 42 24.997 0.524 -3.713 1.00 44.43 H new ATOM 0 HG3 MET A 42 24.027 1.175 -5.019 1.00 44.43 H new ATOM 0 HE1 MET A 42 26.653 2.418 -7.295 1.00 22.01 H new ATOM 0 HE2 MET A 42 25.694 0.958 -6.954 1.00 22.01 H new ATOM 0 HE3 MET A 42 24.916 2.558 -6.935 1.00 22.01 H new ATOM 611 N GLY A 43 21.004 2.524 -1.336 1.00 41.12 N ATOM 612 CA GLY A 43 20.377 3.269 -0.260 1.00 22.00 C ATOM 613 C GLY A 43 20.291 2.469 1.025 1.00 54.32 C ATOM 614 O GLY A 43 21.046 2.692 1.972 1.00 75.44 O ATOM 0 H GLY A 43 20.679 1.562 -1.437 1.00 41.12 H new ATOM 0 HA2 GLY A 43 20.942 4.183 -0.078 1.00 22.00 H new ATOM 0 HA3 GLY A 43 19.375 3.569 -0.566 1.00 22.00 H new ATOM 618 N PRO A 44 19.350 1.514 1.070 1.00 53.42 N ATOM 619 CA PRO A 44 19.144 0.661 2.243 1.00 31.54 C ATOM 620 C PRO A 44 20.291 -0.322 2.454 1.00 73.35 C ATOM 621 O PRO A 44 20.355 -1.006 3.474 1.00 22.35 O ATOM 622 CB PRO A 44 17.851 -0.089 1.914 1.00 34.22 C ATOM 623 CG PRO A 44 17.785 -0.095 0.426 1.00 72.51 C ATOM 624 CD PRO A 44 18.415 1.194 -0.022 1.00 12.31 C ATOM 0 HA PRO A 44 19.094 1.241 3.165 1.00 31.54 H new ATOM 0 HB2 PRO A 44 17.869 -1.103 2.314 1.00 34.22 H new ATOM 0 HB3 PRO A 44 16.983 0.409 2.347 1.00 34.22 H new ATOM 0 HG2 PRO A 44 18.317 -0.953 0.015 1.00 72.51 H new ATOM 0 HG3 PRO A 44 16.753 -0.165 0.082 1.00 72.51 H new ATOM 0 HD2 PRO A 44 18.933 1.078 -0.974 1.00 12.31 H new ATOM 0 HD3 PRO A 44 17.671 1.979 -0.157 1.00 12.31 H new ATOM 632 N ALA A 45 21.194 -0.387 1.481 1.00 61.00 N ATOM 633 CA ALA A 45 22.340 -1.285 1.561 1.00 11.51 C ATOM 634 C ALA A 45 23.428 -0.706 2.459 1.00 22.52 C ATOM 635 O ALA A 45 23.606 -1.144 3.596 1.00 11.34 O ATOM 636 CB ALA A 45 22.892 -1.561 0.171 1.00 70.05 C ATOM 0 H ALA A 45 21.154 0.171 0.628 1.00 61.00 H new ATOM 0 HA ALA A 45 22.005 -2.225 2.000 1.00 11.51 H new ATOM 0 HB1 ALA A 45 23.747 -2.233 0.246 1.00 70.05 H new ATOM 0 HB2 ALA A 45 22.119 -2.025 -0.442 1.00 70.05 H new ATOM 0 HB3 ALA A 45 23.206 -0.624 -0.288 1.00 70.05 H new ATOM 642 N PHE A 46 24.155 0.278 1.941 1.00 0.24 N ATOM 643 CA PHE A 46 25.228 0.915 2.696 1.00 12.24 C ATOM 644 C PHE A 46 24.702 1.490 4.009 1.00 64.23 C ATOM 645 O PHE A 46 25.361 1.404 5.044 1.00 24.43 O ATOM 646 CB PHE A 46 25.877 2.023 1.865 1.00 50.51 C ATOM 647 CG PHE A 46 27.324 1.770 1.554 1.00 64.00 C ATOM 648 CD1 PHE A 46 28.271 1.748 2.566 1.00 54.21 C ATOM 649 CD2 PHE A 46 27.739 1.554 0.250 1.00 51.04 C ATOM 650 CE1 PHE A 46 29.603 1.515 2.283 1.00 23.23 C ATOM 651 CE2 PHE A 46 29.070 1.320 -0.039 1.00 60.30 C ATOM 652 CZ PHE A 46 30.004 1.301 0.979 1.00 54.42 C ATOM 0 H PHE A 46 24.021 0.652 1.002 1.00 0.24 H new ATOM 0 HA PHE A 46 25.977 0.157 2.925 1.00 12.24 H new ATOM 0 HB2 PHE A 46 25.327 2.135 0.931 1.00 50.51 H new ATOM 0 HB3 PHE A 46 25.789 2.968 2.402 1.00 50.51 H new ATOM 0 HD1 PHE A 46 27.964 1.915 3.588 1.00 54.21 H new ATOM 0 HD2 PHE A 46 27.014 1.569 -0.550 1.00 51.04 H new ATOM 0 HE1 PHE A 46 30.330 1.500 3.081 1.00 23.23 H new ATOM 0 HE2 PHE A 46 29.380 1.152 -1.060 1.00 60.30 H new ATOM 0 HZ PHE A 46 31.045 1.119 0.756 1.00 54.42 H new ATOM 662 N ALA A 47 23.511 2.077 3.956 1.00 62.22 N ATOM 663 CA ALA A 47 22.896 2.665 5.139 1.00 30.53 C ATOM 664 C ALA A 47 22.723 1.625 6.242 1.00 53.15 C ATOM 665 O ALA A 47 22.913 1.920 7.421 1.00 32.10 O ATOM 666 CB ALA A 47 21.554 3.287 4.783 1.00 43.14 C ATOM 0 H ALA A 47 22.953 2.158 3.106 1.00 62.22 H new ATOM 0 HA ALA A 47 23.558 3.446 5.512 1.00 30.53 H new ATOM 0 HB1 ALA A 47 21.106 3.722 5.676 1.00 43.14 H new ATOM 0 HB2 ALA A 47 21.701 4.066 4.035 1.00 43.14 H new ATOM 0 HB3 ALA A 47 20.892 2.519 4.383 1.00 43.14 H new ATOM 672 N ALA A 48 22.360 0.408 5.849 1.00 0.22 N ATOM 673 CA ALA A 48 22.162 -0.675 6.804 1.00 24.02 C ATOM 674 C ALA A 48 23.456 -1.451 7.029 1.00 35.32 C ATOM 675 O ALA A 48 23.552 -2.262 7.949 1.00 22.14 O ATOM 676 CB ALA A 48 21.061 -1.608 6.323 1.00 22.33 C ATOM 0 H ALA A 48 22.197 0.148 4.876 1.00 0.22 H new ATOM 0 HA ALA A 48 21.861 -0.237 7.756 1.00 24.02 H new ATOM 0 HB1 ALA A 48 20.924 -2.412 7.046 1.00 22.33 H new ATOM 0 HB2 ALA A 48 20.130 -1.050 6.220 1.00 22.33 H new ATOM 0 HB3 ALA A 48 21.339 -2.031 5.358 1.00 22.33 H new ATOM 682 N GLY A 49 24.448 -1.198 6.181 1.00 10.33 N ATOM 683 CA GLY A 49 25.722 -1.882 6.305 1.00 51.25 C ATOM 684 C GLY A 49 25.749 -3.197 5.551 1.00 10.12 C ATOM 685 O GLY A 49 26.632 -4.028 5.769 1.00 34.05 O ATOM 0 H GLY A 49 24.392 -0.532 5.411 1.00 10.33 H new ATOM 0 HA2 GLY A 49 26.516 -1.236 5.931 1.00 51.25 H new ATOM 0 HA3 GLY A 49 25.931 -2.066 7.359 1.00 51.25 H new ATOM 689 N LEU A 50 24.780 -3.388 4.663 1.00 33.23 N ATOM 690 CA LEU A 50 24.694 -4.613 3.876 1.00 64.24 C ATOM 691 C LEU A 50 25.977 -4.840 3.081 1.00 33.24 C ATOM 692 O LEU A 50 26.346 -4.027 2.234 1.00 10.11 O ATOM 693 CB LEU A 50 23.497 -4.550 2.926 1.00 41.23 C ATOM 694 CG LEU A 50 22.694 -5.842 2.770 1.00 4.04 C ATOM 695 CD1 LEU A 50 23.614 -7.003 2.425 1.00 73.11 C ATOM 696 CD2 LEU A 50 21.911 -6.139 4.041 1.00 62.22 C ATOM 0 H LEU A 50 24.043 -2.710 4.470 1.00 33.23 H new ATOM 0 HA LEU A 50 24.561 -5.448 4.563 1.00 64.24 H new ATOM 0 HB2 LEU A 50 22.823 -3.767 3.274 1.00 41.23 H new ATOM 0 HB3 LEU A 50 23.855 -4.248 1.942 1.00 41.23 H new ATOM 0 HG LEU A 50 21.985 -5.711 1.952 1.00 4.04 H new ATOM 0 HD11 LEU A 50 23.025 -7.914 2.318 1.00 73.11 H new ATOM 0 HD12 LEU A 50 24.130 -6.792 1.488 1.00 73.11 H new ATOM 0 HD13 LEU A 50 24.346 -7.136 3.221 1.00 73.11 H new ATOM 0 HD21 LEU A 50 21.345 -7.062 3.913 1.00 62.22 H new ATOM 0 HD22 LEU A 50 22.602 -6.250 4.876 1.00 62.22 H new ATOM 0 HD23 LEU A 50 21.224 -5.318 4.245 1.00 62.22 H new ATOM 708 N ARG A 51 26.650 -5.952 3.360 1.00 42.43 N ATOM 709 CA ARG A 51 27.891 -6.286 2.671 1.00 74.24 C ATOM 710 C ARG A 51 27.985 -7.788 2.420 1.00 60.33 C ATOM 711 O ARG A 51 27.355 -8.585 3.115 1.00 73.42 O ATOM 712 CB ARG A 51 29.096 -5.818 3.489 1.00 74.15 C ATOM 713 CG ARG A 51 29.932 -4.759 2.789 1.00 21.13 C ATOM 714 CD ARG A 51 31.420 -5.024 2.957 1.00 1.02 C ATOM 715 NE ARG A 51 32.232 -4.121 2.145 1.00 32.33 N ATOM 716 CZ ARG A 51 33.527 -4.304 1.916 1.00 43.23 C ATOM 717 NH1 ARG A 51 34.155 -5.351 2.434 1.00 53.25 N ATOM 718 NH2 ARG A 51 34.198 -3.438 1.166 1.00 31.31 N ATOM 0 H ARG A 51 26.357 -6.636 4.058 1.00 42.43 H new ATOM 0 HA ARG A 51 27.893 -5.773 1.709 1.00 74.24 H new ATOM 0 HB2 ARG A 51 28.746 -5.421 4.442 1.00 74.15 H new ATOM 0 HB3 ARG A 51 29.728 -6.677 3.714 1.00 74.15 H new ATOM 0 HG2 ARG A 51 29.682 -4.739 1.728 1.00 21.13 H new ATOM 0 HG3 ARG A 51 29.688 -3.776 3.192 1.00 21.13 H new ATOM 0 HD2 ARG A 51 31.692 -4.911 4.006 1.00 1.02 H new ATOM 0 HD3 ARG A 51 31.638 -6.055 2.680 1.00 1.02 H new ATOM 0 HE ARG A 51 31.780 -3.306 1.732 1.00 32.33 H new ATOM 0 HH11 ARG A 51 33.643 -6.019 3.010 1.00 53.25 H new ATOM 0 HH12 ARG A 51 35.150 -5.488 2.256 1.00 53.25 H new ATOM 0 HH21 ARG A 51 33.719 -2.632 0.765 1.00 31.31 H new ATOM 0 HH22 ARG A 51 35.193 -3.579 0.990 1.00 31.31 H new ATOM 732 N VAL A 52 28.776 -8.168 1.421 1.00 4.14 N ATOM 733 CA VAL A 52 28.954 -9.574 1.079 1.00 40.13 C ATOM 734 C VAL A 52 29.529 -10.357 2.253 1.00 20.33 C ATOM 735 O VAL A 52 30.675 -10.151 2.649 1.00 4.12 O ATOM 736 CB VAL A 52 29.881 -9.742 -0.139 1.00 45.24 C ATOM 737 CG1 VAL A 52 29.174 -9.306 -1.414 1.00 30.15 C ATOM 738 CG2 VAL A 52 31.169 -8.957 0.060 1.00 65.31 C ATOM 0 H VAL A 52 29.304 -7.521 0.835 1.00 4.14 H new ATOM 0 HA VAL A 52 27.968 -9.967 0.833 1.00 40.13 H new ATOM 0 HB VAL A 52 30.136 -10.797 -0.236 1.00 45.24 H new ATOM 0 HG11 VAL A 52 29.845 -9.432 -2.264 1.00 30.15 H new ATOM 0 HG12 VAL A 52 28.282 -9.915 -1.562 1.00 30.15 H new ATOM 0 HG13 VAL A 52 28.887 -8.258 -1.331 1.00 30.15 H new ATOM 0 HG21 VAL A 52 31.812 -9.087 -0.810 1.00 65.31 H new ATOM 0 HG22 VAL A 52 30.935 -7.900 0.184 1.00 65.31 H new ATOM 0 HG23 VAL A 52 31.683 -9.321 0.949 1.00 65.31 H new ATOM 748 N GLY A 53 28.724 -11.259 2.807 1.00 30.03 N ATOM 749 CA GLY A 53 29.170 -12.061 3.931 1.00 3.25 C ATOM 750 C GLY A 53 28.338 -11.827 5.177 1.00 63.32 C ATOM 751 O GLY A 53 28.726 -12.228 6.275 1.00 50.43 O ATOM 0 H GLY A 53 27.771 -11.448 2.497 1.00 30.03 H new ATOM 0 HA2 GLY A 53 29.125 -13.116 3.661 1.00 3.25 H new ATOM 0 HA3 GLY A 53 30.213 -11.831 4.146 1.00 3.25 H new ATOM 755 N ASP A 54 27.193 -11.177 5.007 1.00 13.44 N ATOM 756 CA ASP A 54 26.304 -10.889 6.127 1.00 34.51 C ATOM 757 C ASP A 54 25.126 -11.860 6.149 1.00 45.40 C ATOM 758 O ASP A 54 24.602 -12.237 5.101 1.00 10.45 O ATOM 759 CB ASP A 54 25.793 -9.450 6.044 1.00 31.25 C ATOM 760 CG ASP A 54 26.917 -8.434 6.087 1.00 51.34 C ATOM 761 OD1 ASP A 54 28.090 -8.850 6.187 1.00 34.40 O ATOM 762 OD2 ASP A 54 26.624 -7.221 6.020 1.00 72.41 O ATOM 0 H ASP A 54 26.858 -10.839 4.105 1.00 13.44 H new ATOM 0 HA ASP A 54 26.871 -11.012 7.050 1.00 34.51 H new ATOM 0 HB2 ASP A 54 25.226 -9.321 5.122 1.00 31.25 H new ATOM 0 HB3 ASP A 54 25.106 -9.263 6.870 1.00 31.25 H new ATOM 767 N GLN A 55 24.718 -12.260 7.349 1.00 42.22 N ATOM 768 CA GLN A 55 23.604 -13.187 7.506 1.00 23.50 C ATOM 769 C GLN A 55 22.315 -12.440 7.828 1.00 55.12 C ATOM 770 O GLN A 55 22.276 -11.611 8.738 1.00 54.53 O ATOM 771 CB GLN A 55 23.909 -14.201 8.610 1.00 23.13 C ATOM 772 CG GLN A 55 25.131 -15.060 8.327 1.00 71.40 C ATOM 773 CD GLN A 55 24.839 -16.544 8.435 1.00 54.01 C ATOM 774 OE1 GLN A 55 24.462 -17.187 7.455 1.00 64.34 O ATOM 775 NE2 GLN A 55 25.011 -17.096 9.630 1.00 33.12 N ATOM 0 H GLN A 55 25.142 -11.957 8.226 1.00 42.22 H new ATOM 0 HA GLN A 55 23.469 -13.716 6.563 1.00 23.50 H new ATOM 0 HB2 GLN A 55 24.059 -13.669 9.549 1.00 23.13 H new ATOM 0 HB3 GLN A 55 23.043 -14.849 8.746 1.00 23.13 H new ATOM 0 HG2 GLN A 55 25.502 -14.839 7.326 1.00 71.40 H new ATOM 0 HG3 GLN A 55 25.925 -14.798 9.027 1.00 71.40 H new ATOM 0 HE21 GLN A 55 25.325 -16.525 10.415 1.00 33.12 H new ATOM 0 HE22 GLN A 55 24.829 -18.091 9.763 1.00 33.12 H new ATOM 784 N LEU A 56 21.261 -12.738 7.076 1.00 53.11 N ATOM 785 CA LEU A 56 19.968 -12.094 7.281 1.00 51.33 C ATOM 786 C LEU A 56 18.931 -13.098 7.772 1.00 75.44 C ATOM 787 O LEU A 56 18.327 -13.821 6.978 1.00 14.25 O ATOM 788 CB LEU A 56 19.489 -11.442 5.982 1.00 22.30 C ATOM 789 CG LEU A 56 18.679 -10.155 6.136 1.00 54.10 C ATOM 790 CD1 LEU A 56 19.168 -9.096 5.160 1.00 31.11 C ATOM 791 CD2 LEU A 56 17.196 -10.430 5.928 1.00 4.14 C ATOM 0 H LEU A 56 21.276 -13.421 6.319 1.00 53.11 H new ATOM 0 HA LEU A 56 20.090 -11.324 8.043 1.00 51.33 H new ATOM 0 HB2 LEU A 56 20.361 -11.227 5.364 1.00 22.30 H new ATOM 0 HB3 LEU A 56 18.883 -12.166 5.438 1.00 22.30 H new ATOM 0 HG LEU A 56 18.820 -9.779 7.149 1.00 54.10 H new ATOM 0 HD11 LEU A 56 18.579 -8.187 5.284 1.00 31.11 H new ATOM 0 HD12 LEU A 56 20.218 -8.878 5.356 1.00 31.11 H new ATOM 0 HD13 LEU A 56 19.058 -9.463 4.140 1.00 31.11 H new ATOM 0 HD21 LEU A 56 16.635 -9.503 6.041 1.00 4.14 H new ATOM 0 HD22 LEU A 56 17.037 -10.830 4.927 1.00 4.14 H new ATOM 0 HD23 LEU A 56 16.853 -11.154 6.667 1.00 4.14 H new ATOM 803 N VAL A 57 18.727 -13.137 9.085 1.00 71.34 N ATOM 804 CA VAL A 57 17.760 -14.051 9.682 1.00 51.25 C ATOM 805 C VAL A 57 16.365 -13.437 9.703 1.00 13.21 C ATOM 806 O VAL A 57 15.362 -14.150 9.748 1.00 42.13 O ATOM 807 CB VAL A 57 18.162 -14.434 11.118 1.00 64.10 C ATOM 808 CG1 VAL A 57 19.385 -15.339 11.107 1.00 73.44 C ATOM 809 CG2 VAL A 57 18.421 -13.187 11.949 1.00 15.43 C ATOM 0 H VAL A 57 19.218 -12.546 9.756 1.00 71.34 H new ATOM 0 HA VAL A 57 17.750 -14.949 9.064 1.00 51.25 H new ATOM 0 HB VAL A 57 17.337 -14.982 11.573 1.00 64.10 H new ATOM 0 HG11 VAL A 57 19.654 -15.599 12.131 1.00 73.44 H new ATOM 0 HG12 VAL A 57 19.160 -16.248 10.549 1.00 73.44 H new ATOM 0 HG13 VAL A 57 20.218 -14.819 10.634 1.00 73.44 H new ATOM 0 HG21 VAL A 57 18.704 -13.476 12.961 1.00 15.43 H new ATOM 0 HG22 VAL A 57 19.228 -12.610 11.498 1.00 15.43 H new ATOM 0 HG23 VAL A 57 17.517 -12.579 11.985 1.00 15.43 H new ATOM 819 N ARG A 58 16.308 -12.109 9.671 1.00 72.43 N ATOM 820 CA ARG A 58 15.035 -11.399 9.687 1.00 10.42 C ATOM 821 C ARG A 58 14.426 -11.406 11.086 1.00 20.43 C ATOM 822 O ARG A 58 14.104 -10.355 11.641 1.00 61.25 O ATOM 823 CB ARG A 58 14.060 -12.031 8.692 1.00 45.23 C ATOM 824 CG ARG A 58 13.081 -11.039 8.085 1.00 64.45 C ATOM 825 CD ARG A 58 11.710 -11.142 8.734 1.00 61.02 C ATOM 826 NE ARG A 58 10.759 -11.865 7.894 1.00 64.25 N ATOM 827 CZ ARG A 58 9.449 -11.876 8.109 1.00 74.14 C ATOM 828 NH1 ARG A 58 8.936 -11.206 9.131 1.00 33.02 N ATOM 829 NH2 ARG A 58 8.648 -12.558 7.299 1.00 11.15 N ATOM 0 H ARG A 58 17.128 -11.504 9.634 1.00 72.43 H new ATOM 0 HA ARG A 58 15.221 -10.365 9.395 1.00 10.42 H new ATOM 0 HB2 ARG A 58 14.628 -12.505 7.891 1.00 45.23 H new ATOM 0 HB3 ARG A 58 13.500 -12.819 9.195 1.00 45.23 H new ATOM 0 HG2 ARG A 58 13.466 -10.026 8.204 1.00 64.45 H new ATOM 0 HG3 ARG A 58 12.993 -11.222 7.014 1.00 64.45 H new ATOM 0 HD2 ARG A 58 11.801 -11.647 9.695 1.00 61.02 H new ATOM 0 HD3 ARG A 58 11.328 -10.141 8.935 1.00 61.02 H new ATOM 0 HE ARG A 58 11.121 -12.390 7.098 1.00 64.25 H new ATOM 0 HH11 ARG A 58 9.548 -10.680 9.755 1.00 33.02 H new ATOM 0 HH12 ARG A 58 7.929 -11.216 9.294 1.00 33.02 H new ATOM 0 HH21 ARG A 58 9.039 -13.074 6.511 1.00 11.15 H new ATOM 0 HH22 ARG A 58 7.642 -12.566 7.465 1.00 11.15 H new ATOM 843 N PHE A 59 14.270 -12.599 11.652 1.00 44.14 N ATOM 844 CA PHE A 59 13.699 -12.744 12.985 1.00 33.12 C ATOM 845 C PHE A 59 14.795 -12.942 14.028 1.00 12.23 C ATOM 846 O PHE A 59 15.861 -13.480 13.730 1.00 54.42 O ATOM 847 CB PHE A 59 12.726 -13.925 13.021 1.00 43.13 C ATOM 848 CG PHE A 59 11.917 -13.997 14.284 1.00 22.40 C ATOM 849 CD1 PHE A 59 11.321 -12.861 14.807 1.00 44.01 C ATOM 850 CD2 PHE A 59 11.752 -15.202 14.948 1.00 11.04 C ATOM 851 CE1 PHE A 59 10.577 -12.925 15.970 1.00 41.13 C ATOM 852 CE2 PHE A 59 11.008 -15.272 16.111 1.00 22.24 C ATOM 853 CZ PHE A 59 10.419 -14.132 16.622 1.00 22.10 C ATOM 0 H PHE A 59 14.531 -13.479 11.207 1.00 44.14 H new ATOM 0 HA PHE A 59 13.157 -11.828 13.222 1.00 33.12 H new ATOM 0 HB2 PHE A 59 12.049 -13.854 12.169 1.00 43.13 H new ATOM 0 HB3 PHE A 59 13.288 -14.852 12.906 1.00 43.13 H new ATOM 0 HD1 PHE A 59 11.439 -11.915 14.300 1.00 44.01 H new ATOM 0 HD2 PHE A 59 12.210 -16.097 14.552 1.00 11.04 H new ATOM 0 HE1 PHE A 59 10.119 -12.032 16.369 1.00 41.13 H new ATOM 0 HE2 PHE A 59 10.887 -16.217 16.620 1.00 22.24 H new ATOM 0 HZ PHE A 59 9.836 -14.184 17.530 1.00 22.10 H new ATOM 863 N ALA A 60 14.524 -12.502 15.253 1.00 62.11 N ATOM 864 CA ALA A 60 15.486 -12.631 16.341 1.00 74.52 C ATOM 865 C ALA A 60 15.613 -14.083 16.791 1.00 1.20 C ATOM 866 O ALA A 60 16.439 -14.408 17.643 1.00 73.51 O ATOM 867 CB ALA A 60 15.080 -11.747 17.511 1.00 25.50 C ATOM 0 H ALA A 60 13.647 -12.053 15.516 1.00 62.11 H new ATOM 0 HA ALA A 60 16.459 -12.305 15.974 1.00 74.52 H new ATOM 0 HB1 ALA A 60 15.807 -11.853 18.316 1.00 25.50 H new ATOM 0 HB2 ALA A 60 15.047 -10.707 17.187 1.00 25.50 H new ATOM 0 HB3 ALA A 60 14.095 -12.047 17.869 1.00 25.50 H new ATOM 873 N GLY A 61 14.789 -14.952 16.213 1.00 12.32 N ATOM 874 CA GLY A 61 14.825 -16.358 16.569 1.00 64.11 C ATOM 875 C GLY A 61 16.060 -17.059 16.037 1.00 10.33 C ATOM 876 O GLY A 61 16.272 -18.243 16.300 1.00 11.21 O ATOM 0 H GLY A 61 14.097 -14.707 15.505 1.00 12.32 H new ATOM 0 HA2 GLY A 61 14.794 -16.456 17.654 1.00 64.11 H new ATOM 0 HA3 GLY A 61 13.935 -16.851 16.179 1.00 64.11 H new ATOM 880 N TYR A 62 16.876 -16.327 15.286 1.00 31.44 N ATOM 881 CA TYR A 62 18.094 -16.887 14.713 1.00 71.12 C ATOM 882 C TYR A 62 17.766 -17.952 13.671 1.00 71.12 C ATOM 883 O TYR A 62 18.104 -19.125 13.835 1.00 2.23 O ATOM 884 CB TYR A 62 18.972 -17.487 15.813 1.00 53.15 C ATOM 885 CG TYR A 62 19.079 -16.616 17.044 1.00 33.41 C ATOM 886 CD1 TYR A 62 19.731 -15.390 16.997 1.00 34.14 C ATOM 887 CD2 TYR A 62 18.529 -17.020 18.254 1.00 20.25 C ATOM 888 CE1 TYR A 62 19.832 -14.592 18.120 1.00 15.42 C ATOM 889 CE2 TYR A 62 18.624 -16.228 19.382 1.00 52.41 C ATOM 890 CZ TYR A 62 19.276 -15.014 19.310 1.00 61.41 C ATOM 891 OH TYR A 62 19.374 -14.223 20.431 1.00 11.41 O ATOM 0 H TYR A 62 16.716 -15.345 15.060 1.00 31.44 H new ATOM 0 HA TYR A 62 18.639 -16.080 14.223 1.00 71.12 H new ATOM 0 HB2 TYR A 62 18.568 -18.458 16.099 1.00 53.15 H new ATOM 0 HB3 TYR A 62 19.971 -17.662 15.414 1.00 53.15 H new ATOM 0 HD1 TYR A 62 20.166 -15.055 16.067 1.00 34.14 H new ATOM 0 HD2 TYR A 62 18.018 -17.970 18.314 1.00 20.25 H new ATOM 0 HE1 TYR A 62 20.344 -13.642 18.067 1.00 15.42 H new ATOM 0 HE2 TYR A 62 18.190 -16.557 20.315 1.00 52.41 H new ATOM 0 HH TYR A 62 18.929 -14.666 21.184 1.00 11.41 H new ATOM 901 N THR A 63 17.104 -17.535 12.596 1.00 44.03 N ATOM 902 CA THR A 63 16.729 -18.451 11.526 1.00 43.11 C ATOM 903 C THR A 63 15.944 -17.731 10.436 1.00 43.15 C ATOM 904 O THR A 63 15.356 -16.676 10.674 1.00 40.03 O ATOM 905 CB THR A 63 15.886 -19.624 12.061 1.00 51.34 C ATOM 906 OG1 THR A 63 15.309 -20.350 10.969 1.00 3.14 O ATOM 907 CG2 THR A 63 14.784 -19.122 12.981 1.00 34.12 C ATOM 0 H THR A 63 16.816 -16.568 12.443 1.00 44.03 H new ATOM 0 HA THR A 63 17.655 -18.841 11.105 1.00 43.11 H new ATOM 0 HB THR A 63 16.541 -20.284 12.630 1.00 51.34 H new ATOM 0 HG1 THR A 63 14.776 -21.095 11.317 1.00 3.14 H new ATOM 0 HG21 THR A 63 14.202 -19.968 13.347 1.00 34.12 H new ATOM 0 HG22 THR A 63 15.227 -18.594 13.826 1.00 34.12 H new ATOM 0 HG23 THR A 63 14.132 -18.443 12.431 1.00 34.12 H new ATOM 915 N VAL A 64 15.938 -18.308 9.238 1.00 44.31 N ATOM 916 CA VAL A 64 15.224 -17.721 8.111 1.00 75.45 C ATOM 917 C VAL A 64 14.624 -18.802 7.218 1.00 33.22 C ATOM 918 O VAL A 64 15.082 -19.945 7.213 1.00 24.24 O ATOM 919 CB VAL A 64 16.148 -16.827 7.264 1.00 50.42 C ATOM 920 CG1 VAL A 64 17.154 -17.672 6.498 1.00 44.21 C ATOM 921 CG2 VAL A 64 15.330 -15.965 6.314 1.00 44.25 C ATOM 0 H VAL A 64 16.420 -19.181 9.024 1.00 44.31 H new ATOM 0 HA VAL A 64 14.423 -17.111 8.528 1.00 75.45 H new ATOM 0 HB VAL A 64 16.700 -16.167 7.933 1.00 50.42 H new ATOM 0 HG11 VAL A 64 17.798 -17.023 5.905 1.00 44.21 H new ATOM 0 HG12 VAL A 64 17.761 -18.241 7.202 1.00 44.21 H new ATOM 0 HG13 VAL A 64 16.624 -18.359 5.837 1.00 44.21 H new ATOM 0 HG21 VAL A 64 15.999 -15.339 5.723 1.00 44.25 H new ATOM 0 HG22 VAL A 64 14.750 -16.605 5.649 1.00 44.25 H new ATOM 0 HG23 VAL A 64 14.654 -15.332 6.888 1.00 44.25 H new ATOM 931 N THR A 65 13.594 -18.434 6.462 1.00 43.32 N ATOM 932 CA THR A 65 12.930 -19.371 5.565 1.00 24.31 C ATOM 933 C THR A 65 13.628 -19.425 4.211 1.00 64.20 C ATOM 934 O THR A 65 14.356 -20.372 3.915 1.00 20.45 O ATOM 935 CB THR A 65 11.452 -18.995 5.353 1.00 11.31 C ATOM 936 OG1 THR A 65 11.252 -17.608 5.648 1.00 4.20 O ATOM 937 CG2 THR A 65 10.546 -19.841 6.235 1.00 61.34 C ATOM 0 H THR A 65 13.202 -17.493 6.453 1.00 43.32 H new ATOM 0 HA THR A 65 12.983 -20.352 6.038 1.00 24.31 H new ATOM 0 HB THR A 65 11.198 -19.185 4.310 1.00 11.31 H new ATOM 0 HG1 THR A 65 10.310 -17.377 5.509 1.00 4.20 H new ATOM 0 HG21 THR A 65 9.507 -19.557 6.068 1.00 61.34 H new ATOM 0 HG22 THR A 65 10.679 -20.894 5.988 1.00 61.34 H new ATOM 0 HG23 THR A 65 10.802 -19.678 7.282 1.00 61.34 H new ATOM 945 N GLU A 66 13.402 -18.402 3.392 1.00 22.35 N ATOM 946 CA GLU A 66 14.011 -18.335 2.069 1.00 54.10 C ATOM 947 C GLU A 66 14.092 -16.891 1.581 1.00 65.53 C ATOM 948 O GLU A 66 13.657 -15.966 2.267 1.00 22.14 O ATOM 949 CB GLU A 66 13.212 -19.177 1.072 1.00 35.45 C ATOM 950 CG GLU A 66 11.808 -18.653 0.820 1.00 42.45 C ATOM 951 CD GLU A 66 11.188 -19.228 -0.439 1.00 21.42 C ATOM 952 OE1 GLU A 66 11.934 -19.474 -1.410 1.00 12.33 O ATOM 953 OE2 GLU A 66 9.956 -19.434 -0.452 1.00 2.22 O ATOM 0 H GLU A 66 12.802 -17.609 3.621 1.00 22.35 H new ATOM 0 HA GLU A 66 15.023 -18.734 2.142 1.00 54.10 H new ATOM 0 HB2 GLU A 66 13.752 -19.214 0.126 1.00 35.45 H new ATOM 0 HB3 GLU A 66 13.148 -20.200 1.443 1.00 35.45 H new ATOM 0 HG2 GLU A 66 11.176 -18.894 1.675 1.00 42.45 H new ATOM 0 HG3 GLU A 66 11.838 -17.566 0.742 1.00 42.45 H new ATOM 960 N LEU A 67 14.654 -16.707 0.391 1.00 53.30 N ATOM 961 CA LEU A 67 14.794 -15.376 -0.191 1.00 31.25 C ATOM 962 C LEU A 67 13.429 -14.778 -0.517 1.00 63.25 C ATOM 963 O LEU A 67 13.260 -13.559 -0.525 1.00 24.34 O ATOM 964 CB LEU A 67 15.652 -15.439 -1.455 1.00 43.32 C ATOM 965 CG LEU A 67 15.298 -16.542 -2.453 1.00 2.01 C ATOM 966 CD1 LEU A 67 14.652 -15.950 -3.696 1.00 21.21 C ATOM 967 CD2 LEU A 67 16.537 -17.343 -2.824 1.00 24.42 C ATOM 0 H LEU A 67 15.020 -17.462 -0.189 1.00 53.30 H new ATOM 0 HA LEU A 67 15.285 -14.735 0.542 1.00 31.25 H new ATOM 0 HB2 LEU A 67 15.582 -14.479 -1.966 1.00 43.32 H new ATOM 0 HB3 LEU A 67 16.693 -15.566 -1.157 1.00 43.32 H new ATOM 0 HG LEU A 67 14.582 -17.215 -1.982 1.00 2.01 H new ATOM 0 HD11 LEU A 67 14.407 -16.750 -4.395 1.00 21.21 H new ATOM 0 HD12 LEU A 67 13.741 -15.421 -3.416 1.00 21.21 H new ATOM 0 HD13 LEU A 67 15.344 -15.254 -4.170 1.00 21.21 H new ATOM 0 HD21 LEU A 67 16.266 -18.124 -3.535 1.00 24.42 H new ATOM 0 HD22 LEU A 67 17.276 -16.681 -3.276 1.00 24.42 H new ATOM 0 HD23 LEU A 67 16.958 -17.799 -1.928 1.00 24.42 H new ATOM 979 N ALA A 68 12.458 -15.645 -0.786 1.00 1.15 N ATOM 980 CA ALA A 68 11.107 -15.203 -1.109 1.00 4.42 C ATOM 981 C ALA A 68 10.533 -14.333 0.005 1.00 63.04 C ATOM 982 O ALA A 68 9.815 -13.368 -0.256 1.00 71.52 O ATOM 983 CB ALA A 68 10.206 -16.402 -1.363 1.00 11.35 C ATOM 0 H ALA A 68 12.582 -16.657 -0.787 1.00 1.15 H new ATOM 0 HA ALA A 68 11.155 -14.601 -2.016 1.00 4.42 H new ATOM 0 HB1 ALA A 68 9.200 -16.057 -1.603 1.00 11.35 H new ATOM 0 HB2 ALA A 68 10.599 -16.982 -2.198 1.00 11.35 H new ATOM 0 HB3 ALA A 68 10.172 -17.027 -0.471 1.00 11.35 H new ATOM 989 N ALA A 69 10.854 -14.681 1.246 1.00 23.43 N ATOM 990 CA ALA A 69 10.371 -13.932 2.399 1.00 3.52 C ATOM 991 C ALA A 69 11.006 -12.546 2.458 1.00 20.32 C ATOM 992 O ALA A 69 10.369 -11.578 2.872 1.00 12.51 O ATOM 993 CB ALA A 69 10.652 -14.698 3.683 1.00 65.20 C ATOM 0 H ALA A 69 11.447 -15.478 1.479 1.00 23.43 H new ATOM 0 HA ALA A 69 9.293 -13.806 2.293 1.00 3.52 H new ATOM 0 HB1 ALA A 69 10.286 -14.126 4.535 1.00 65.20 H new ATOM 0 HB2 ALA A 69 10.146 -15.663 3.649 1.00 65.20 H new ATOM 0 HB3 ALA A 69 11.726 -14.855 3.786 1.00 65.20 H new ATOM 999 N PHE A 70 12.265 -12.459 2.043 1.00 62.35 N ATOM 1000 CA PHE A 70 12.987 -11.192 2.050 1.00 70.21 C ATOM 1001 C PHE A 70 12.403 -10.228 1.021 1.00 5.12 C ATOM 1002 O PHE A 70 12.275 -9.032 1.279 1.00 32.01 O ATOM 1003 CB PHE A 70 14.472 -11.425 1.763 1.00 53.04 C ATOM 1004 CG PHE A 70 15.310 -10.186 1.896 1.00 54.41 C ATOM 1005 CD1 PHE A 70 15.670 -9.708 3.146 1.00 64.34 C ATOM 1006 CD2 PHE A 70 15.736 -9.497 0.771 1.00 31.44 C ATOM 1007 CE1 PHE A 70 16.442 -8.568 3.272 1.00 73.22 C ATOM 1008 CE2 PHE A 70 16.508 -8.357 0.891 1.00 34.24 C ATOM 1009 CZ PHE A 70 16.860 -7.891 2.143 1.00 31.31 C ATOM 0 H PHE A 70 12.807 -13.251 1.697 1.00 62.35 H new ATOM 0 HA PHE A 70 12.881 -10.747 3.040 1.00 70.21 H new ATOM 0 HB2 PHE A 70 14.851 -12.185 2.446 1.00 53.04 H new ATOM 0 HB3 PHE A 70 14.581 -11.821 0.753 1.00 53.04 H new ATOM 0 HD1 PHE A 70 15.344 -10.232 4.032 1.00 64.34 H new ATOM 0 HD2 PHE A 70 15.462 -9.855 -0.210 1.00 31.44 H new ATOM 0 HE1 PHE A 70 16.718 -8.207 4.252 1.00 73.22 H new ATOM 0 HE2 PHE A 70 16.836 -7.831 0.007 1.00 34.24 H new ATOM 0 HZ PHE A 70 17.461 -6.999 2.239 1.00 31.31 H new ATOM 1019 N ASN A 71 12.053 -10.758 -0.146 1.00 32.31 N ATOM 1020 CA ASN A 71 11.484 -9.945 -1.215 1.00 20.32 C ATOM 1021 C ASN A 71 10.189 -9.278 -0.761 1.00 22.43 C ATOM 1022 O ASN A 71 9.893 -8.146 -1.143 1.00 4.53 O ATOM 1023 CB ASN A 71 11.221 -10.805 -2.453 1.00 1.01 C ATOM 1024 CG ASN A 71 11.291 -10.004 -3.739 1.00 2.24 C ATOM 1025 OD1 ASN A 71 10.647 -8.963 -3.870 1.00 45.31 O ATOM 1026 ND2 ASN A 71 12.076 -10.487 -4.695 1.00 35.42 N ATOM 0 H ASN A 71 12.153 -11.747 -0.376 1.00 32.31 H new ATOM 0 HA ASN A 71 12.204 -9.166 -1.468 1.00 20.32 H new ATOM 0 HB2 ASN A 71 11.951 -11.614 -2.492 1.00 1.01 H new ATOM 0 HB3 ASN A 71 10.237 -11.267 -2.369 1.00 1.01 H new ATOM 0 HD21 ASN A 71 12.164 -9.991 -5.582 1.00 35.42 H new ATOM 0 HD22 ASN A 71 12.591 -11.354 -4.542 1.00 35.42 H new ATOM 1033 N THR A 72 9.419 -9.989 0.058 1.00 5.42 N ATOM 1034 CA THR A 72 8.156 -9.467 0.564 1.00 4.25 C ATOM 1035 C THR A 72 8.389 -8.374 1.602 1.00 60.33 C ATOM 1036 O THR A 72 7.755 -7.320 1.561 1.00 75.12 O ATOM 1037 CB THR A 72 7.300 -10.582 1.193 1.00 14.22 C ATOM 1038 OG1 THR A 72 8.122 -11.710 1.513 1.00 14.34 O ATOM 1039 CG2 THR A 72 6.189 -11.010 0.246 1.00 12.01 C ATOM 0 H THR A 72 9.649 -10.928 0.385 1.00 5.42 H new ATOM 0 HA THR A 72 7.623 -9.047 -0.289 1.00 4.25 H new ATOM 0 HB THR A 72 6.849 -10.192 2.105 1.00 14.22 H new ATOM 0 HG1 THR A 72 8.763 -11.460 2.211 1.00 14.34 H new ATOM 0 HG21 THR A 72 5.598 -11.798 0.712 1.00 12.01 H new ATOM 0 HG22 THR A 72 5.548 -10.156 0.028 1.00 12.01 H new ATOM 0 HG23 THR A 72 6.625 -11.383 -0.681 1.00 12.01 H new ATOM 1047 N VAL A 73 9.304 -8.632 2.531 1.00 35.33 N ATOM 1048 CA VAL A 73 9.621 -7.669 3.579 1.00 64.40 C ATOM 1049 C VAL A 73 10.191 -6.384 2.990 1.00 64.14 C ATOM 1050 O VAL A 73 9.862 -5.285 3.435 1.00 52.44 O ATOM 1051 CB VAL A 73 10.630 -8.250 4.588 1.00 62.13 C ATOM 1052 CG1 VAL A 73 11.013 -7.203 5.623 1.00 63.43 C ATOM 1053 CG2 VAL A 73 10.059 -9.490 5.258 1.00 33.40 C ATOM 0 H VAL A 73 9.839 -9.499 2.579 1.00 35.33 H new ATOM 0 HA VAL A 73 8.688 -7.445 4.097 1.00 64.40 H new ATOM 0 HB VAL A 73 11.532 -8.539 4.048 1.00 62.13 H new ATOM 0 HG11 VAL A 73 11.726 -7.631 6.327 1.00 63.43 H new ATOM 0 HG12 VAL A 73 11.466 -6.346 5.124 1.00 63.43 H new ATOM 0 HG13 VAL A 73 10.122 -6.880 6.161 1.00 63.43 H new ATOM 0 HG21 VAL A 73 10.785 -9.887 5.967 1.00 33.40 H new ATOM 0 HG22 VAL A 73 9.142 -9.229 5.785 1.00 33.40 H new ATOM 0 HG23 VAL A 73 9.841 -10.244 4.502 1.00 33.40 H new ATOM 1063 N VAL A 74 11.049 -6.530 1.984 1.00 1.15 N ATOM 1064 CA VAL A 74 11.665 -5.381 1.332 1.00 54.41 C ATOM 1065 C VAL A 74 10.619 -4.522 0.630 1.00 15.43 C ATOM 1066 O VAL A 74 10.579 -3.305 0.808 1.00 2.42 O ATOM 1067 CB VAL A 74 12.725 -5.820 0.305 1.00 41.32 C ATOM 1068 CG1 VAL A 74 13.294 -4.612 -0.425 1.00 30.40 C ATOM 1069 CG2 VAL A 74 13.831 -6.611 0.987 1.00 41.23 C ATOM 0 H VAL A 74 11.333 -7.433 1.604 1.00 1.15 H new ATOM 0 HA VAL A 74 12.148 -4.795 2.114 1.00 54.41 H new ATOM 0 HB VAL A 74 12.247 -6.467 -0.431 1.00 41.32 H new ATOM 0 HG11 VAL A 74 14.041 -4.942 -1.147 1.00 30.40 H new ATOM 0 HG12 VAL A 74 12.491 -4.091 -0.947 1.00 30.40 H new ATOM 0 HG13 VAL A 74 13.757 -3.937 0.295 1.00 30.40 H new ATOM 0 HG21 VAL A 74 14.572 -6.913 0.247 1.00 41.23 H new ATOM 0 HG22 VAL A 74 14.308 -5.990 1.745 1.00 41.23 H new ATOM 0 HG23 VAL A 74 13.407 -7.497 1.459 1.00 41.23 H new ATOM 1079 N ALA A 75 9.772 -5.164 -0.168 1.00 12.05 N ATOM 1080 CA ALA A 75 8.723 -4.459 -0.894 1.00 61.33 C ATOM 1081 C ALA A 75 7.670 -3.906 0.060 1.00 21.41 C ATOM 1082 O ALA A 75 7.219 -2.771 -0.089 1.00 2.54 O ATOM 1083 CB ALA A 75 8.078 -5.383 -1.917 1.00 41.44 C ATOM 0 H ALA A 75 9.792 -6.171 -0.328 1.00 12.05 H new ATOM 0 HA ALA A 75 9.179 -3.618 -1.416 1.00 61.33 H new ATOM 0 HB1 ALA A 75 7.296 -4.844 -2.452 1.00 41.44 H new ATOM 0 HB2 ALA A 75 8.833 -5.725 -2.625 1.00 41.44 H new ATOM 0 HB3 ALA A 75 7.642 -6.242 -1.407 1.00 41.44 H new ATOM 1089 N ARG A 76 7.282 -4.717 1.039 1.00 11.33 N ATOM 1090 CA ARG A 76 6.280 -4.309 2.017 1.00 42.31 C ATOM 1091 C ARG A 76 6.623 -2.945 2.610 1.00 23.32 C ATOM 1092 O ARG A 76 5.805 -2.025 2.592 1.00 44.11 O ATOM 1093 CB ARG A 76 6.172 -5.350 3.133 1.00 52.34 C ATOM 1094 CG ARG A 76 4.997 -6.300 2.967 1.00 64.24 C ATOM 1095 CD ARG A 76 4.824 -6.723 1.516 1.00 31.33 C ATOM 1096 NE ARG A 76 3.764 -5.971 0.850 1.00 62.12 N ATOM 1097 CZ ARG A 76 2.470 -6.201 1.038 1.00 74.41 C ATOM 1098 NH1 ARG A 76 2.077 -7.157 1.868 1.00 33.35 N ATOM 1099 NH2 ARG A 76 1.565 -5.474 0.395 1.00 72.31 N ATOM 0 H ARG A 76 7.646 -5.660 1.176 1.00 11.33 H new ATOM 0 HA ARG A 76 5.320 -4.233 1.506 1.00 42.31 H new ATOM 0 HB2 ARG A 76 7.095 -5.929 3.169 1.00 52.34 H new ATOM 0 HB3 ARG A 76 6.081 -4.836 4.090 1.00 52.34 H new ATOM 0 HG2 ARG A 76 5.150 -7.182 3.589 1.00 64.24 H new ATOM 0 HG3 ARG A 76 4.085 -5.817 3.318 1.00 64.24 H new ATOM 0 HD2 ARG A 76 5.763 -6.577 0.981 1.00 31.33 H new ATOM 0 HD3 ARG A 76 4.595 -7.788 1.474 1.00 31.33 H new ATOM 0 HE ARG A 76 4.033 -5.228 0.205 1.00 62.12 H new ATOM 0 HH11 ARG A 76 2.769 -7.718 2.364 1.00 33.35 H new ATOM 0 HH12 ARG A 76 1.082 -7.331 2.011 1.00 33.35 H new ATOM 0 HH21 ARG A 76 1.863 -4.738 -0.245 1.00 72.31 H new ATOM 0 HH22 ARG A 76 0.571 -5.652 0.540 1.00 72.31 H new ATOM 1113 N HIS A 77 7.838 -2.823 3.136 1.00 30.44 N ATOM 1114 CA HIS A 77 8.290 -1.572 3.735 1.00 35.44 C ATOM 1115 C HIS A 77 8.759 -0.595 2.662 1.00 1.34 C ATOM 1116 O HIS A 77 9.959 -0.384 2.482 1.00 74.55 O ATOM 1117 CB HIS A 77 9.420 -1.838 4.730 1.00 11.41 C ATOM 1118 CG HIS A 77 9.056 -2.817 5.803 1.00 21.21 C ATOM 1119 ND1 HIS A 77 9.774 -3.969 6.045 1.00 32.41 N ATOM 1120 CD2 HIS A 77 8.044 -2.810 6.702 1.00 70.31 C ATOM 1121 CE1 HIS A 77 9.218 -4.630 7.045 1.00 11.11 C ATOM 1122 NE2 HIS A 77 8.167 -3.947 7.462 1.00 74.52 N ATOM 0 H HIS A 77 8.527 -3.575 3.160 1.00 30.44 H new ATOM 0 HA HIS A 77 7.448 -1.125 4.264 1.00 35.44 H new ATOM 0 HB2 HIS A 77 10.289 -2.212 4.189 1.00 11.41 H new ATOM 0 HB3 HIS A 77 9.714 -0.896 5.194 1.00 11.41 H new ATOM 0 HD2 HIS A 77 7.282 -2.051 6.803 1.00 70.31 H new ATOM 0 HE1 HIS A 77 9.564 -5.569 7.452 1.00 11.11 H new ATOM 0 HE2 HIS A 77 7.547 -4.220 8.225 1.00 74.52 H new ATOM 1130 N VAL A 78 7.806 0.000 1.952 1.00 14.03 N ATOM 1131 CA VAL A 78 8.121 0.956 0.897 1.00 25.34 C ATOM 1132 C VAL A 78 8.078 2.387 1.421 1.00 33.32 C ATOM 1133 O VAL A 78 7.804 3.325 0.672 1.00 32.42 O ATOM 1134 CB VAL A 78 7.147 0.825 -0.289 1.00 25.34 C ATOM 1135 CG1 VAL A 78 5.780 1.379 0.080 1.00 73.12 C ATOM 1136 CG2 VAL A 78 7.705 1.530 -1.516 1.00 11.34 C ATOM 0 H VAL A 78 6.808 -0.163 2.088 1.00 14.03 H new ATOM 0 HA VAL A 78 9.130 0.728 0.555 1.00 25.34 H new ATOM 0 HB VAL A 78 7.031 -0.232 -0.528 1.00 25.34 H new ATOM 0 HG11 VAL A 78 5.105 1.278 -0.770 1.00 73.12 H new ATOM 0 HG12 VAL A 78 5.380 0.825 0.929 1.00 73.12 H new ATOM 0 HG13 VAL A 78 5.874 2.432 0.346 1.00 73.12 H new ATOM 0 HG21 VAL A 78 7.004 1.428 -2.345 1.00 11.34 H new ATOM 0 HG22 VAL A 78 7.852 2.587 -1.293 1.00 11.34 H new ATOM 0 HG23 VAL A 78 8.660 1.081 -1.791 1.00 11.34 H new ATOM 1146 N ARG A 79 8.350 2.547 2.712 1.00 1.10 N ATOM 1147 CA ARG A 79 8.341 3.864 3.337 1.00 42.32 C ATOM 1148 C ARG A 79 9.605 4.643 2.982 1.00 74.11 C ATOM 1149 O ARG A 79 10.645 4.071 2.656 1.00 71.21 O ATOM 1150 CB ARG A 79 8.221 3.731 4.856 1.00 24.11 C ATOM 1151 CG ARG A 79 6.805 3.918 5.374 1.00 12.01 C ATOM 1152 CD ARG A 79 5.949 2.689 5.112 1.00 30.43 C ATOM 1153 NE ARG A 79 4.841 2.976 4.205 1.00 64.23 N ATOM 1154 CZ ARG A 79 3.938 2.073 3.839 1.00 41.31 C ATOM 1155 NH1 ARG A 79 4.011 0.833 4.301 1.00 34.22 N ATOM 1156 NH2 ARG A 79 2.959 2.411 3.009 1.00 2.12 N ATOM 0 H ARG A 79 8.579 1.781 3.345 1.00 1.10 H new ATOM 0 HA ARG A 79 7.478 4.412 2.958 1.00 42.32 H new ATOM 0 HB2 ARG A 79 8.581 2.747 5.156 1.00 24.11 H new ATOM 0 HB3 ARG A 79 8.872 4.466 5.329 1.00 24.11 H new ATOM 0 HG2 ARG A 79 6.832 4.122 6.444 1.00 12.01 H new ATOM 0 HG3 ARG A 79 6.353 4.786 4.895 1.00 12.01 H new ATOM 0 HD2 ARG A 79 6.569 1.899 4.688 1.00 30.43 H new ATOM 0 HD3 ARG A 79 5.556 2.313 6.057 1.00 30.43 H new ATOM 0 HE ARG A 79 4.756 3.922 3.832 1.00 64.23 H new ATOM 0 HH11 ARG A 79 4.762 0.570 4.939 1.00 34.22 H new ATOM 0 HH12 ARG A 79 3.316 0.142 4.018 1.00 34.22 H new ATOM 0 HH21 ARG A 79 2.900 3.365 2.652 1.00 2.12 H new ATOM 0 HH22 ARG A 79 2.266 1.717 2.728 1.00 2.12 H new ATOM 1170 N PRO A 80 9.514 5.980 3.046 1.00 73.43 N ATOM 1171 CA PRO A 80 10.640 6.865 2.735 1.00 53.34 C ATOM 1172 C PRO A 80 11.742 6.792 3.785 1.00 2.25 C ATOM 1173 O PRO A 80 12.824 7.352 3.604 1.00 33.52 O ATOM 1174 CB PRO A 80 10.003 8.257 2.723 1.00 3.43 C ATOM 1175 CG PRO A 80 8.809 8.135 3.605 1.00 75.02 C ATOM 1176 CD PRO A 80 8.305 6.729 3.427 1.00 50.31 C ATOM 0 HA PRO A 80 11.124 6.595 1.797 1.00 53.34 H new ATOM 0 HB2 PRO A 80 10.695 9.012 3.096 1.00 3.43 H new ATOM 0 HB3 PRO A 80 9.720 8.554 1.713 1.00 3.43 H new ATOM 0 HG2 PRO A 80 9.071 8.327 4.645 1.00 75.02 H new ATOM 0 HG3 PRO A 80 8.044 8.861 3.330 1.00 75.02 H new ATOM 0 HD2 PRO A 80 7.864 6.341 4.345 1.00 50.31 H new ATOM 0 HD3 PRO A 80 7.537 6.672 2.656 1.00 50.31 H new ATOM 1184 N SER A 81 11.461 6.099 4.884 1.00 22.11 N ATOM 1185 CA SER A 81 12.429 5.956 5.966 1.00 74.41 C ATOM 1186 C SER A 81 11.828 5.176 7.132 1.00 62.23 C ATOM 1187 O SER A 81 11.241 5.756 8.044 1.00 54.31 O ATOM 1188 CB SER A 81 12.897 7.331 6.445 1.00 63.11 C ATOM 1189 OG SER A 81 14.125 7.692 5.835 1.00 14.25 O ATOM 0 H SER A 81 10.571 5.628 5.049 1.00 22.11 H new ATOM 0 HA SER A 81 13.286 5.402 5.583 1.00 74.41 H new ATOM 0 HB2 SER A 81 12.138 8.078 6.213 1.00 63.11 H new ATOM 0 HB3 SER A 81 13.014 7.322 7.529 1.00 63.11 H new ATOM 0 HG SER A 81 14.023 7.675 4.860 1.00 14.25 H new ATOM 1195 N ALA A 82 11.981 3.856 7.094 1.00 51.12 N ATOM 1196 CA ALA A 82 11.456 2.996 8.147 1.00 23.20 C ATOM 1197 C ALA A 82 12.570 2.180 8.795 1.00 72.33 C ATOM 1198 O ALA A 82 13.376 1.555 8.105 1.00 1.23 O ATOM 1199 CB ALA A 82 10.380 2.076 7.590 1.00 64.42 C ATOM 0 H ALA A 82 12.464 3.359 6.345 1.00 51.12 H new ATOM 0 HA ALA A 82 11.013 3.631 8.914 1.00 23.20 H new ATOM 0 HB1 ALA A 82 9.997 1.439 8.388 1.00 64.42 H new ATOM 0 HB2 ALA A 82 9.566 2.674 7.181 1.00 64.42 H new ATOM 0 HB3 ALA A 82 10.805 1.454 6.802 1.00 64.42 H new ATOM 1205 N SER A 83 12.609 2.190 10.123 1.00 34.22 N ATOM 1206 CA SER A 83 13.627 1.454 10.864 1.00 75.21 C ATOM 1207 C SER A 83 13.128 0.060 11.234 1.00 12.20 C ATOM 1208 O SER A 83 12.603 -0.153 12.327 1.00 1.24 O ATOM 1209 CB SER A 83 14.021 2.219 12.128 1.00 12.34 C ATOM 1210 OG SER A 83 15.242 2.913 11.944 1.00 4.53 O ATOM 0 H SER A 83 11.947 2.700 10.709 1.00 34.22 H new ATOM 0 HA SER A 83 14.503 1.350 10.224 1.00 75.21 H new ATOM 0 HB2 SER A 83 13.233 2.926 12.390 1.00 12.34 H new ATOM 0 HB3 SER A 83 14.116 1.524 12.963 1.00 12.34 H new ATOM 0 HG SER A 83 15.471 3.395 12.766 1.00 4.53 H new ATOM 1216 N ILE A 84 13.296 -0.885 10.315 1.00 13.31 N ATOM 1217 CA ILE A 84 12.864 -2.258 10.544 1.00 0.14 C ATOM 1218 C ILE A 84 13.921 -3.045 11.311 1.00 33.45 C ATOM 1219 O ILE A 84 15.109 -3.015 10.990 1.00 53.23 O ATOM 1220 CB ILE A 84 12.562 -2.982 9.219 1.00 12.21 C ATOM 1221 CG1 ILE A 84 11.526 -2.199 8.410 1.00 50.13 C ATOM 1222 CG2 ILE A 84 12.072 -4.397 9.488 1.00 4.12 C ATOM 1223 CD1 ILE A 84 10.173 -2.113 9.082 1.00 64.15 C ATOM 0 H ILE A 84 13.728 -0.725 9.405 1.00 13.31 H new ATOM 0 HA ILE A 84 11.950 -2.207 11.136 1.00 0.14 H new ATOM 0 HB ILE A 84 13.482 -3.041 8.637 1.00 12.21 H new ATOM 0 HG12 ILE A 84 11.900 -1.190 8.235 1.00 50.13 H new ATOM 0 HG13 ILE A 84 11.408 -2.669 7.434 1.00 50.13 H new ATOM 0 HG21 ILE A 84 11.863 -4.896 8.542 1.00 4.12 H new ATOM 0 HG22 ILE A 84 12.839 -4.951 10.028 1.00 4.12 H new ATOM 0 HG23 ILE A 84 11.162 -4.359 10.087 1.00 4.12 H new ATOM 0 HD11 ILE A 84 9.489 -1.544 8.452 1.00 64.15 H new ATOM 0 HD12 ILE A 84 9.777 -3.117 9.233 1.00 64.15 H new ATOM 0 HD13 ILE A 84 10.277 -1.616 10.046 1.00 64.15 H new ATOM 1235 N PRO A 85 13.480 -3.770 12.350 1.00 21.44 N ATOM 1236 CA PRO A 85 14.372 -4.582 13.184 1.00 74.51 C ATOM 1237 C PRO A 85 14.914 -5.798 12.440 1.00 55.05 C ATOM 1238 O PRO A 85 14.195 -6.773 12.216 1.00 44.41 O ATOM 1239 CB PRO A 85 13.472 -5.022 14.342 1.00 41.21 C ATOM 1240 CG PRO A 85 12.091 -4.982 13.785 1.00 70.22 C ATOM 1241 CD PRO A 85 12.078 -3.854 12.791 1.00 15.31 C ATOM 0 HA PRO A 85 15.254 -4.025 13.499 1.00 74.51 H new ATOM 0 HB2 PRO A 85 13.731 -6.023 14.686 1.00 41.21 H new ATOM 0 HB3 PRO A 85 13.573 -4.354 15.198 1.00 41.21 H new ATOM 0 HG2 PRO A 85 11.836 -5.927 13.306 1.00 70.22 H new ATOM 0 HG3 PRO A 85 11.357 -4.816 14.573 1.00 70.22 H new ATOM 0 HD2 PRO A 85 11.407 -4.061 11.958 1.00 15.31 H new ATOM 0 HD3 PRO A 85 11.744 -2.922 13.246 1.00 15.31 H new ATOM 1249 N VAL A 86 16.185 -5.734 12.058 1.00 23.11 N ATOM 1250 CA VAL A 86 16.824 -6.831 11.340 1.00 1.51 C ATOM 1251 C VAL A 86 18.006 -7.387 12.126 1.00 71.42 C ATOM 1252 O VAL A 86 18.949 -6.664 12.446 1.00 41.33 O ATOM 1253 CB VAL A 86 17.312 -6.382 9.950 1.00 73.25 C ATOM 1254 CG1 VAL A 86 18.045 -7.516 9.249 1.00 34.22 C ATOM 1255 CG2 VAL A 86 16.143 -5.892 9.108 1.00 1.32 C ATOM 0 H VAL A 86 16.793 -4.934 12.234 1.00 23.11 H new ATOM 0 HA VAL A 86 16.072 -7.611 11.219 1.00 1.51 H new ATOM 0 HB VAL A 86 18.010 -5.555 10.079 1.00 73.25 H new ATOM 0 HG11 VAL A 86 18.382 -7.180 8.268 1.00 34.22 H new ATOM 0 HG12 VAL A 86 18.906 -7.816 9.846 1.00 34.22 H new ATOM 0 HG13 VAL A 86 17.372 -8.365 9.130 1.00 34.22 H new ATOM 0 HG21 VAL A 86 16.506 -5.579 8.129 1.00 1.32 H new ATOM 0 HG22 VAL A 86 15.419 -6.698 8.986 1.00 1.32 H new ATOM 0 HG23 VAL A 86 15.665 -5.048 9.605 1.00 1.32 H new ATOM 1265 N VAL A 87 17.949 -8.679 12.434 1.00 33.21 N ATOM 1266 CA VAL A 87 19.015 -9.335 13.181 1.00 3.24 C ATOM 1267 C VAL A 87 20.081 -9.892 12.244 1.00 33.11 C ATOM 1268 O VAL A 87 19.787 -10.702 11.364 1.00 11.42 O ATOM 1269 CB VAL A 87 18.467 -10.478 14.056 1.00 61.35 C ATOM 1270 CG1 VAL A 87 19.607 -11.249 14.704 1.00 2.40 C ATOM 1271 CG2 VAL A 87 17.514 -9.934 15.108 1.00 11.55 C ATOM 0 H VAL A 87 17.175 -9.292 12.177 1.00 33.21 H new ATOM 0 HA VAL A 87 19.462 -8.578 13.825 1.00 3.24 H new ATOM 0 HB VAL A 87 17.912 -11.166 13.418 1.00 61.35 H new ATOM 0 HG11 VAL A 87 19.200 -12.052 15.318 1.00 2.40 H new ATOM 0 HG12 VAL A 87 20.246 -11.673 13.929 1.00 2.40 H new ATOM 0 HG13 VAL A 87 20.193 -10.575 15.329 1.00 2.40 H new ATOM 0 HG21 VAL A 87 17.137 -10.756 15.717 1.00 11.55 H new ATOM 0 HG22 VAL A 87 18.042 -9.223 15.744 1.00 11.55 H new ATOM 0 HG23 VAL A 87 16.679 -9.432 14.618 1.00 11.55 H new ATOM 1281 N PHE A 88 21.320 -9.454 12.439 1.00 40.21 N ATOM 1282 CA PHE A 88 22.431 -9.909 11.610 1.00 13.55 C ATOM 1283 C PHE A 88 23.379 -10.796 12.412 1.00 71.15 C ATOM 1284 O PHE A 88 23.711 -10.493 13.557 1.00 3.52 O ATOM 1285 CB PHE A 88 23.194 -8.711 11.041 1.00 11.33 C ATOM 1286 CG PHE A 88 24.664 -8.965 10.864 1.00 35.54 C ATOM 1287 CD1 PHE A 88 25.114 -9.877 9.923 1.00 53.22 C ATOM 1288 CD2 PHE A 88 25.595 -8.294 11.640 1.00 12.11 C ATOM 1289 CE1 PHE A 88 26.465 -10.113 9.757 1.00 24.31 C ATOM 1290 CE2 PHE A 88 26.948 -8.526 11.479 1.00 54.04 C ATOM 1291 CZ PHE A 88 27.383 -9.438 10.537 1.00 45.41 C ATOM 0 H PHE A 88 21.581 -8.785 13.163 1.00 40.21 H new ATOM 0 HA PHE A 88 22.022 -10.495 10.787 1.00 13.55 H new ATOM 0 HB2 PHE A 88 22.762 -8.439 10.078 1.00 11.33 H new ATOM 0 HB3 PHE A 88 23.058 -7.856 11.704 1.00 11.33 H new ATOM 0 HD1 PHE A 88 24.400 -10.410 9.312 1.00 53.22 H new ATOM 0 HD2 PHE A 88 25.260 -7.582 12.379 1.00 12.11 H new ATOM 0 HE1 PHE A 88 26.803 -10.825 9.018 1.00 24.31 H new ATOM 0 HE2 PHE A 88 27.664 -7.995 12.089 1.00 54.04 H new ATOM 0 HZ PHE A 88 28.440 -9.623 10.411 1.00 45.41 H new ATOM 1301 N SER A 89 23.810 -11.895 11.800 1.00 41.42 N ATOM 1302 CA SER A 89 24.716 -12.829 12.456 1.00 24.45 C ATOM 1303 C SER A 89 26.016 -12.969 11.670 1.00 70.43 C ATOM 1304 O SER A 89 26.024 -12.878 10.442 1.00 60.40 O ATOM 1305 CB SER A 89 24.049 -14.198 12.609 1.00 42.42 C ATOM 1306 OG SER A 89 23.604 -14.403 13.938 1.00 12.34 O ATOM 0 H SER A 89 23.546 -12.160 10.851 1.00 41.42 H new ATOM 0 HA SER A 89 24.951 -12.435 13.445 1.00 24.45 H new ATOM 0 HB2 SER A 89 23.205 -14.273 11.924 1.00 42.42 H new ATOM 0 HB3 SER A 89 24.754 -14.982 12.333 1.00 42.42 H new ATOM 0 HG SER A 89 24.349 -14.261 14.558 1.00 12.34 H new ATOM 1312 N ARG A 90 27.113 -13.191 12.386 1.00 21.33 N ATOM 1313 CA ARG A 90 28.419 -13.343 11.757 1.00 42.14 C ATOM 1314 C ARG A 90 29.097 -14.631 12.214 1.00 60.22 C ATOM 1315 O ARG A 90 30.011 -14.605 13.039 1.00 55.22 O ATOM 1316 CB ARG A 90 29.309 -12.142 12.083 1.00 30.13 C ATOM 1317 CG ARG A 90 30.660 -12.178 11.387 1.00 14.51 C ATOM 1318 CD ARG A 90 31.803 -12.046 12.382 1.00 74.55 C ATOM 1319 NE ARG A 90 33.100 -11.959 11.716 1.00 13.11 N ATOM 1320 CZ ARG A 90 33.508 -10.891 11.040 1.00 70.14 C ATOM 1321 NH1 ARG A 90 32.725 -9.826 10.940 1.00 52.10 N ATOM 1322 NH2 ARG A 90 34.702 -10.887 10.461 1.00 23.25 N ATOM 0 H ARG A 90 27.123 -13.270 13.403 1.00 21.33 H new ATOM 0 HA ARG A 90 28.270 -13.394 10.678 1.00 42.14 H new ATOM 0 HB2 ARG A 90 28.788 -11.227 11.800 1.00 30.13 H new ATOM 0 HB3 ARG A 90 29.466 -12.099 13.161 1.00 30.13 H new ATOM 0 HG2 ARG A 90 30.762 -13.113 10.836 1.00 14.51 H new ATOM 0 HG3 ARG A 90 30.716 -11.370 10.657 1.00 14.51 H new ATOM 0 HD2 ARG A 90 31.650 -11.158 12.995 1.00 74.55 H new ATOM 0 HD3 ARG A 90 31.798 -12.903 13.056 1.00 74.55 H new ATOM 0 HE ARG A 90 33.726 -12.762 11.773 1.00 13.11 H new ATOM 0 HH11 ARG A 90 31.806 -9.825 11.383 1.00 52.10 H new ATOM 0 HH12 ARG A 90 33.041 -9.007 10.420 1.00 52.10 H new ATOM 0 HH21 ARG A 90 35.307 -11.705 10.535 1.00 23.25 H new ATOM 0 HH22 ARG A 90 35.014 -10.066 9.942 1.00 23.25 H new ATOM 1336 N ASP A 91 28.643 -15.756 11.673 1.00 61.40 N ATOM 1337 CA ASP A 91 29.206 -17.055 12.025 1.00 73.14 C ATOM 1338 C ASP A 91 28.924 -17.392 13.486 1.00 41.43 C ATOM 1339 O ASP A 91 29.822 -17.793 14.225 1.00 12.41 O ATOM 1340 CB ASP A 91 30.713 -17.068 11.767 1.00 62.53 C ATOM 1341 CG ASP A 91 31.106 -16.207 10.582 1.00 34.24 C ATOM 1342 OD1 ASP A 91 30.445 -16.311 9.528 1.00 73.44 O ATOM 1343 OD2 ASP A 91 32.073 -15.428 10.710 1.00 30.35 O ATOM 0 H ASP A 91 27.887 -15.795 10.989 1.00 61.40 H new ATOM 0 HA ASP A 91 28.732 -17.811 11.399 1.00 73.14 H new ATOM 0 HB2 ASP A 91 31.234 -16.715 12.657 1.00 62.53 H new ATOM 0 HB3 ASP A 91 31.040 -18.093 11.592 1.00 62.53 H new ATOM 1348 N GLY A 92 27.670 -17.224 13.895 1.00 22.34 N ATOM 1349 CA GLY A 92 27.293 -17.514 15.267 1.00 50.45 C ATOM 1350 C GLY A 92 27.178 -16.261 16.113 1.00 74.23 C ATOM 1351 O GLY A 92 26.558 -16.277 17.177 1.00 44.24 O ATOM 0 H GLY A 92 26.909 -16.893 13.302 1.00 22.34 H new ATOM 0 HA2 GLY A 92 26.340 -18.043 15.275 1.00 50.45 H new ATOM 0 HA3 GLY A 92 28.032 -18.182 15.710 1.00 50.45 H new ATOM 1355 N VAL A 93 27.777 -15.173 15.641 1.00 52.44 N ATOM 1356 CA VAL A 93 27.739 -13.906 16.361 1.00 1.24 C ATOM 1357 C VAL A 93 26.325 -13.338 16.401 1.00 51.22 C ATOM 1358 O VAL A 93 25.590 -13.405 15.416 1.00 54.13 O ATOM 1359 CB VAL A 93 28.680 -12.868 15.721 1.00 12.33 C ATOM 1360 CG1 VAL A 93 28.611 -11.548 16.475 1.00 61.21 C ATOM 1361 CG2 VAL A 93 30.106 -13.395 15.682 1.00 42.23 C ATOM 0 H VAL A 93 28.295 -15.143 14.763 1.00 52.44 H new ATOM 0 HA VAL A 93 28.074 -14.110 17.378 1.00 1.24 H new ATOM 0 HB VAL A 93 28.354 -12.691 14.696 1.00 12.33 H new ATOM 0 HG11 VAL A 93 29.282 -10.827 16.009 1.00 61.21 H new ATOM 0 HG12 VAL A 93 27.591 -11.165 16.446 1.00 61.21 H new ATOM 0 HG13 VAL A 93 28.910 -11.705 17.511 1.00 61.21 H new ATOM 0 HG21 VAL A 93 30.757 -12.649 15.227 1.00 42.23 H new ATOM 0 HG22 VAL A 93 30.445 -13.602 16.697 1.00 42.23 H new ATOM 0 HG23 VAL A 93 30.139 -14.312 15.094 1.00 42.23 H new ATOM 1371 N VAL A 94 25.950 -12.777 17.546 1.00 32.53 N ATOM 1372 CA VAL A 94 24.624 -12.196 17.715 1.00 55.45 C ATOM 1373 C VAL A 94 24.705 -10.683 17.887 1.00 51.01 C ATOM 1374 O VAL A 94 25.229 -10.189 18.885 1.00 61.32 O ATOM 1375 CB VAL A 94 23.895 -12.801 18.929 1.00 72.12 C ATOM 1376 CG1 VAL A 94 22.551 -12.121 19.139 1.00 12.42 C ATOM 1377 CG2 VAL A 94 23.720 -14.302 18.751 1.00 52.33 C ATOM 0 H VAL A 94 26.547 -12.713 18.371 1.00 32.53 H new ATOM 0 HA VAL A 94 24.060 -12.427 16.811 1.00 55.45 H new ATOM 0 HB VAL A 94 24.503 -12.631 19.817 1.00 72.12 H new ATOM 0 HG11 VAL A 94 22.051 -12.562 20.001 1.00 12.42 H new ATOM 0 HG12 VAL A 94 22.705 -11.056 19.314 1.00 12.42 H new ATOM 0 HG13 VAL A 94 21.932 -12.257 18.252 1.00 12.42 H new ATOM 0 HG21 VAL A 94 23.203 -14.713 19.618 1.00 52.33 H new ATOM 0 HG22 VAL A 94 23.133 -14.496 17.853 1.00 52.33 H new ATOM 0 HG23 VAL A 94 24.698 -14.773 18.654 1.00 52.33 H new ATOM 1387 N MET A 95 24.182 -9.952 16.907 1.00 22.45 N ATOM 1388 CA MET A 95 24.194 -8.495 16.952 1.00 42.21 C ATOM 1389 C MET A 95 22.895 -7.923 16.393 1.00 63.15 C ATOM 1390 O MET A 95 22.191 -8.587 15.632 1.00 41.44 O ATOM 1391 CB MET A 95 25.386 -7.949 16.164 1.00 64.13 C ATOM 1392 CG MET A 95 25.775 -6.532 16.553 1.00 21.12 C ATOM 1393 SD MET A 95 26.471 -6.434 18.214 1.00 74.21 S ATOM 1394 CE MET A 95 27.717 -5.169 17.985 1.00 45.13 C ATOM 0 H MET A 95 23.745 -10.345 16.073 1.00 22.45 H new ATOM 0 HA MET A 95 24.286 -8.189 17.994 1.00 42.21 H new ATOM 0 HB2 MET A 95 26.242 -8.606 16.315 1.00 64.13 H new ATOM 0 HB3 MET A 95 25.149 -7.973 15.100 1.00 64.13 H new ATOM 0 HG2 MET A 95 26.501 -6.149 15.836 1.00 21.12 H new ATOM 0 HG3 MET A 95 24.897 -5.889 16.493 1.00 21.12 H new ATOM 0 HE1 MET A 95 28.236 -4.995 18.927 1.00 45.13 H new ATOM 0 HE2 MET A 95 28.433 -5.496 17.231 1.00 45.13 H new ATOM 0 HE3 MET A 95 27.241 -4.245 17.657 1.00 45.13 H new ATOM 1404 N SER A 96 22.584 -6.689 16.775 1.00 42.31 N ATOM 1405 CA SER A 96 21.368 -6.030 16.314 1.00 14.34 C ATOM 1406 C SER A 96 21.700 -4.813 15.456 1.00 63.44 C ATOM 1407 O SER A 96 22.544 -3.995 15.820 1.00 62.04 O ATOM 1408 CB SER A 96 20.509 -5.606 17.508 1.00 71.13 C ATOM 1409 OG SER A 96 20.483 -6.616 18.501 1.00 31.14 O ATOM 0 H SER A 96 23.157 -6.125 17.403 1.00 42.31 H new ATOM 0 HA SER A 96 20.809 -6.740 15.705 1.00 14.34 H new ATOM 0 HB2 SER A 96 20.903 -4.683 17.934 1.00 71.13 H new ATOM 0 HB3 SER A 96 19.494 -5.395 17.173 1.00 71.13 H new ATOM 0 HG SER A 96 19.929 -6.321 19.254 1.00 31.14 H new ATOM 1415 N ALA A 97 21.030 -4.703 14.313 1.00 4.52 N ATOM 1416 CA ALA A 97 21.253 -3.586 13.403 1.00 74.24 C ATOM 1417 C ALA A 97 19.941 -3.113 12.784 1.00 4.35 C ATOM 1418 O ALA A 97 19.085 -3.921 12.423 1.00 44.24 O ATOM 1419 CB ALA A 97 22.239 -3.981 12.314 1.00 62.41 C ATOM 0 H ALA A 97 20.329 -5.373 13.996 1.00 4.52 H new ATOM 0 HA ALA A 97 21.674 -2.760 13.977 1.00 74.24 H new ATOM 0 HB1 ALA A 97 22.396 -3.137 11.642 1.00 62.41 H new ATOM 0 HB2 ALA A 97 23.188 -4.265 12.768 1.00 62.41 H new ATOM 0 HB3 ALA A 97 21.840 -4.824 11.751 1.00 62.41 H new ATOM 1425 N THR A 98 19.789 -1.797 12.666 1.00 21.24 N ATOM 1426 CA THR A 98 18.581 -1.216 12.094 1.00 64.01 C ATOM 1427 C THR A 98 18.799 -0.818 10.638 1.00 22.54 C ATOM 1428 O THR A 98 19.798 -0.182 10.302 1.00 1.31 O ATOM 1429 CB THR A 98 18.122 0.021 12.889 1.00 72.33 C ATOM 1430 OG1 THR A 98 18.245 -0.226 14.294 1.00 70.42 O ATOM 1431 CG2 THR A 98 16.680 0.373 12.555 1.00 1.41 C ATOM 0 H THR A 98 20.488 -1.114 12.959 1.00 21.24 H new ATOM 0 HA THR A 98 17.806 -1.981 12.147 1.00 64.01 H new ATOM 0 HB THR A 98 18.759 0.861 12.612 1.00 72.33 H new ATOM 0 HG1 THR A 98 17.953 0.566 14.792 1.00 70.42 H new ATOM 0 HG21 THR A 98 16.377 1.249 13.128 1.00 1.41 H new ATOM 0 HG22 THR A 98 16.595 0.589 11.490 1.00 1.41 H new ATOM 0 HG23 THR A 98 16.033 -0.467 12.808 1.00 1.41 H new ATOM 1439 N ILE A 99 17.859 -1.197 9.780 1.00 72.15 N ATOM 1440 CA ILE A 99 17.948 -0.878 8.360 1.00 1.11 C ATOM 1441 C ILE A 99 16.999 0.257 7.991 1.00 33.01 C ATOM 1442 O ILE A 99 15.802 0.196 8.273 1.00 51.11 O ATOM 1443 CB ILE A 99 17.628 -2.105 7.486 1.00 51.31 C ATOM 1444 CG1 ILE A 99 16.197 -2.582 7.743 1.00 50.33 C ATOM 1445 CG2 ILE A 99 18.622 -3.224 7.759 1.00 41.52 C ATOM 1446 CD1 ILE A 99 15.215 -2.146 6.678 1.00 34.31 C ATOM 0 H ILE A 99 17.027 -1.725 10.043 1.00 72.15 H new ATOM 0 HA ILE A 99 18.975 -0.566 8.171 1.00 1.11 H new ATOM 0 HB ILE A 99 17.713 -1.818 6.438 1.00 51.31 H new ATOM 0 HG12 ILE A 99 16.191 -3.670 7.808 1.00 50.33 H new ATOM 0 HG13 ILE A 99 15.864 -2.203 8.710 1.00 50.33 H new ATOM 0 HG21 ILE A 99 18.382 -4.084 7.134 1.00 41.52 H new ATOM 0 HG22 ILE A 99 19.630 -2.879 7.530 1.00 41.52 H new ATOM 0 HG23 ILE A 99 18.566 -3.512 8.809 1.00 41.52 H new ATOM 0 HD11 ILE A 99 14.221 -2.519 6.925 1.00 34.31 H new ATOM 0 HD12 ILE A 99 15.192 -1.057 6.628 1.00 34.31 H new ATOM 0 HD13 ILE A 99 15.524 -2.547 5.712 1.00 34.31 H new ATOM 1458 N VAL A 100 17.541 1.292 7.357 1.00 14.11 N ATOM 1459 CA VAL A 100 16.742 2.440 6.946 1.00 13.41 C ATOM 1460 C VAL A 100 16.388 2.362 5.465 1.00 2.12 C ATOM 1461 O VAL A 100 17.157 2.798 4.608 1.00 24.43 O ATOM 1462 CB VAL A 100 17.481 3.764 7.217 1.00 51.20 C ATOM 1463 CG1 VAL A 100 17.470 4.088 8.703 1.00 32.22 C ATOM 1464 CG2 VAL A 100 18.906 3.696 6.688 1.00 13.23 C ATOM 0 H VAL A 100 18.530 1.359 7.117 1.00 14.11 H new ATOM 0 HA VAL A 100 15.826 2.416 7.537 1.00 13.41 H new ATOM 0 HB VAL A 100 16.960 4.565 6.692 1.00 51.20 H new ATOM 0 HG11 VAL A 100 17.997 5.027 8.875 1.00 32.22 H new ATOM 0 HG12 VAL A 100 16.440 4.182 9.047 1.00 32.22 H new ATOM 0 HG13 VAL A 100 17.965 3.288 9.253 1.00 32.22 H new ATOM 0 HG21 VAL A 100 19.414 4.640 6.888 1.00 13.23 H new ATOM 0 HG22 VAL A 100 19.440 2.885 7.183 1.00 13.23 H new ATOM 0 HG23 VAL A 100 18.887 3.515 5.613 1.00 13.23 H new ATOM 1474 N VAL A 101 15.218 1.804 5.170 1.00 1.34 N ATOM 1475 CA VAL A 101 14.761 1.670 3.793 1.00 52.15 C ATOM 1476 C VAL A 101 13.905 2.862 3.379 1.00 50.00 C ATOM 1477 O VAL A 101 12.795 3.045 3.877 1.00 2.52 O ATOM 1478 CB VAL A 101 13.949 0.376 3.594 1.00 24.00 C ATOM 1479 CG1 VAL A 101 13.293 0.363 2.222 1.00 35.52 C ATOM 1480 CG2 VAL A 101 14.839 -0.844 3.780 1.00 11.13 C ATOM 0 H VAL A 101 14.570 1.438 5.867 1.00 1.34 H new ATOM 0 HA VAL A 101 15.652 1.631 3.167 1.00 52.15 H new ATOM 0 HB VAL A 101 13.162 0.342 4.347 1.00 24.00 H new ATOM 0 HG11 VAL A 101 12.724 -0.559 2.100 1.00 35.52 H new ATOM 0 HG12 VAL A 101 12.623 1.218 2.131 1.00 35.52 H new ATOM 0 HG13 VAL A 101 14.061 0.420 1.451 1.00 35.52 H new ATOM 0 HG21 VAL A 101 14.250 -1.750 3.636 1.00 11.13 H new ATOM 0 HG22 VAL A 101 15.649 -0.818 3.051 1.00 11.13 H new ATOM 0 HG23 VAL A 101 15.257 -0.839 4.787 1.00 11.13 H new ATOM 1490 N GLY A 102 14.429 3.671 2.463 1.00 62.21 N ATOM 1491 CA GLY A 102 13.700 4.835 1.997 1.00 54.51 C ATOM 1492 C GLY A 102 13.366 4.758 0.520 1.00 34.14 C ATOM 1493 O GLY A 102 14.257 4.632 -0.318 1.00 5.21 O ATOM 0 H GLY A 102 15.346 3.540 2.036 1.00 62.21 H new ATOM 0 HA2 GLY A 102 12.778 4.936 2.570 1.00 54.51 H new ATOM 0 HA3 GLY A 102 14.292 5.730 2.186 1.00 54.51 H new ATOM 1497 N GLU A 103 12.077 4.831 0.202 1.00 10.40 N ATOM 1498 CA GLU A 103 11.628 4.766 -1.184 1.00 23.11 C ATOM 1499 C GLU A 103 10.123 5.000 -1.280 1.00 64.12 C ATOM 1500 O GLU A 103 9.340 4.053 -1.362 1.00 23.31 O ATOM 1501 CB GLU A 103 11.985 3.409 -1.795 1.00 53.21 C ATOM 1502 CG GLU A 103 11.539 2.226 -0.952 1.00 43.13 C ATOM 1503 CD GLU A 103 12.668 1.254 -0.668 1.00 42.31 C ATOM 1504 OE1 GLU A 103 13.817 1.714 -0.499 1.00 62.21 O ATOM 1505 OE2 GLU A 103 12.403 0.035 -0.615 1.00 2.31 O ATOM 0 H GLU A 103 11.326 4.935 0.885 1.00 10.40 H new ATOM 0 HA GLU A 103 12.136 5.553 -1.742 1.00 23.11 H new ATOM 0 HB2 GLU A 103 11.529 3.333 -2.782 1.00 53.21 H new ATOM 0 HB3 GLU A 103 13.064 3.357 -1.937 1.00 53.21 H new ATOM 0 HG2 GLU A 103 11.132 2.590 -0.009 1.00 43.13 H new ATOM 0 HG3 GLU A 103 10.733 1.701 -1.466 1.00 43.13 H new ATOM 1512 N LEU A 104 9.726 6.267 -1.269 1.00 40.44 N ATOM 1513 CA LEU A 104 8.315 6.628 -1.355 1.00 31.40 C ATOM 1514 C LEU A 104 8.149 8.071 -1.818 1.00 54.31 C ATOM 1515 O LEU A 104 7.443 8.344 -2.788 1.00 73.04 O ATOM 1516 CB LEU A 104 7.636 6.434 0.002 1.00 74.32 C ATOM 1517 CG LEU A 104 6.131 6.163 -0.033 1.00 41.04 C ATOM 1518 CD1 LEU A 104 5.387 7.358 -0.610 1.00 22.32 C ATOM 1519 CD2 LEU A 104 5.834 4.907 -0.840 1.00 51.41 C ATOM 0 H LEU A 104 10.361 7.062 -1.201 1.00 40.44 H new ATOM 0 HA LEU A 104 7.842 5.975 -2.088 1.00 31.40 H new ATOM 0 HB2 LEU A 104 8.123 5.604 0.514 1.00 74.32 H new ATOM 0 HB3 LEU A 104 7.810 7.326 0.604 1.00 74.32 H new ATOM 0 HG LEU A 104 5.786 6.005 0.989 1.00 41.04 H new ATOM 0 HD11 LEU A 104 4.318 7.147 -0.627 1.00 22.32 H new ATOM 0 HD12 LEU A 104 5.574 8.236 0.008 1.00 22.32 H new ATOM 0 HD13 LEU A 104 5.736 7.548 -1.625 1.00 22.32 H new ATOM 0 HD21 LEU A 104 4.759 4.729 -0.854 1.00 51.41 H new ATOM 0 HD22 LEU A 104 6.194 5.037 -1.861 1.00 51.41 H new ATOM 0 HD23 LEU A 104 6.336 4.054 -0.384 1.00 51.41 H new ATOM 1531 N GLU A 105 8.805 8.991 -1.118 1.00 42.43 N ATOM 1532 CA GLU A 105 8.730 10.407 -1.460 1.00 4.15 C ATOM 1533 C GLU A 105 9.242 10.653 -2.876 1.00 53.11 C ATOM 1534 O GLU A 105 10.445 10.607 -3.129 1.00 21.43 O ATOM 1535 CB GLU A 105 9.540 11.238 -0.462 1.00 13.41 C ATOM 1536 CG GLU A 105 8.691 12.182 0.374 1.00 41.03 C ATOM 1537 CD GLU A 105 9.379 12.603 1.658 1.00 42.24 C ATOM 1538 OE1 GLU A 105 10.580 12.941 1.603 1.00 43.41 O ATOM 1539 OE2 GLU A 105 8.718 12.595 2.716 1.00 35.45 O ATOM 0 H GLU A 105 9.394 8.782 -0.312 1.00 42.43 H new ATOM 0 HA GLU A 105 7.684 10.711 -1.413 1.00 4.15 H new ATOM 0 HB2 GLU A 105 10.082 10.565 0.203 1.00 13.41 H new ATOM 0 HB3 GLU A 105 10.286 11.818 -1.006 1.00 13.41 H new ATOM 0 HG2 GLU A 105 8.454 13.068 -0.214 1.00 41.03 H new ATOM 0 HG3 GLU A 105 7.745 11.697 0.615 1.00 41.03 H new TER 1546 GLU A 105