USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 740 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 30 ASN : amide:sc= -1.36 K(o=-1.4,f=-6.6!) USER MOD Set 1.2: A 97 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 74 LYS NZ :NH3+ 136:sc= 0.912 (180deg=0) USER MOD Set 2.2: A 78 GLN : amide:sc= -0.613 K(o=0.3,f=-12!) USER MOD Set 3.1: A 67 SER OG : rot 160:sc= 1.22 USER MOD Set 3.2: A 86 ASN : amide:sc= -0.0226 K(o=1.2,f=-7.7!) USER MOD Set 4.1: A 60 ASN : amide:sc= -0.355 K(o=-0.35,f=-1.6!) USER MOD Set 4.2: A 62 GLN : amide:sc= 0 X(o=-0.35,f=-0.35) USER MOD Set 5.1: A 42 ASN : amide:sc= -0.113 K(o=-0.093,f=-4.3!) USER MOD Set 5.2: A 57 THR OG1 : rot -160:sc= 0.02 USER MOD Set 6.1: A 37 ASN : amide:sc= -3.5! C(o=-3.4!,f=-6.7!) USER MOD Set 6.2: A 53 ASN : amide:sc= 0.0798 K(o=-3.4,f=-9.8!) USER MOD Set 7.1: A 46 SER OG : rot 150:sc= 0.0111 USER MOD Set 7.2: A 48 LYS NZ :NH3+ -165:sc= 0.00924 (180deg=0) USER MOD Set 8.1: A 19 THR OG1 : rot -67:sc= 0.985 USER MOD Set 8.2: A 33 SER OG : rot 179:sc= 0.846 USER MOD Set 9.1: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 9.2: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set10.1: A 11 SER OG : rot 180:sc= 0.73 USER MOD Set10.2: A 20 SER OG : rot 121:sc= 0.807 USER MOD Set11.1: A 7 THR OG1 : rot -160:sc= 0.033 USER MOD Set11.2: A 93 ASN : amide:sc= -0.948 K(o=-0.91,f=-5.1!) USER MOD Set12.1: A 1 LEU N :NH3+ -166:sc= -0.149 (180deg=-0.547) USER MOD Set12.2: A 3 LYS NZ :NH3+ -157:sc= -0.287 (180deg=-0.756) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.758 K(o=-0.76,f=-1.6!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.962 K(o=-0.96,f=-2.7!) USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 16 SER OG : rot 103:sc= 0.118 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.163 K(o=-0.16,f=-2!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -170:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN :FLIP amide:sc= -1.69 F(o=-3.9!,f=-1.7) USER MOD Single : A 52 SER OG : rot 78:sc= 0.9 USER MOD Single : A 61 THR OG1 : rot 171:sc= 1.25 USER MOD Single : A 66 SER OG : rot 180:sc= 0.0187 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 60:sc= -0.0148 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HE2:sc= -1.42 X(o=-1.4,f=-1.4) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 84.229 12.011 -3.996 1.00 0.30 N ATOM 2 CA LEU A 1 83.279 10.973 -4.483 1.00 0.28 C ATOM 3 C LEU A 1 82.366 10.528 -3.343 1.00 0.26 C ATOM 4 O LEU A 1 82.798 10.325 -2.225 1.00 0.27 O ATOM 5 CB LEU A 1 84.053 9.755 -4.992 1.00 0.29 C ATOM 6 CG LEU A 1 84.973 10.154 -6.151 1.00 0.33 C ATOM 7 CD1 LEU A 1 85.780 8.928 -6.592 1.00 0.34 C ATOM 8 CD2 LEU A 1 84.137 10.677 -7.335 1.00 0.42 C ATOM 0 H1 LEU A 1 84.680 12.477 -4.809 1.00 0.30 H new ATOM 0 H2 LEU A 1 83.713 12.718 -3.434 1.00 0.30 H new ATOM 0 H3 LEU A 1 84.958 11.564 -3.405 1.00 0.30 H new ATOM 0 HA LEU A 1 82.684 11.399 -5.291 1.00 0.28 H new ATOM 0 HB2 LEU A 1 84.643 9.326 -4.182 1.00 0.29 H new ATOM 0 HB3 LEU A 1 83.356 8.984 -5.321 1.00 0.29 H new ATOM 0 HG LEU A 1 85.648 10.944 -5.822 1.00 0.33 H new ATOM 0 HD11 LEU A 1 86.438 9.203 -7.417 1.00 0.34 H new ATOM 0 HD12 LEU A 1 86.378 8.566 -5.756 1.00 0.34 H new ATOM 0 HD13 LEU A 1 85.099 8.142 -6.918 1.00 0.34 H new ATOM 0 HD21 LEU A 1 84.800 10.958 -8.153 1.00 0.42 H new ATOM 0 HD22 LEU A 1 83.455 9.896 -7.672 1.00 0.42 H new ATOM 0 HD23 LEU A 1 83.563 11.548 -7.018 1.00 0.42 H new ATOM 22 N GLY A 2 81.107 10.375 -3.626 1.00 0.24 N ATOM 23 CA GLY A 2 80.140 9.934 -2.582 1.00 0.24 C ATOM 24 C GLY A 2 79.982 11.012 -1.502 1.00 0.25 C ATOM 25 O GLY A 2 80.012 12.184 -1.801 1.00 0.33 O ATOM 0 H GLY A 2 80.699 10.538 -4.547 1.00 0.24 H new ATOM 0 HA2 GLY A 2 79.173 9.725 -3.039 1.00 0.24 H new ATOM 0 HA3 GLY A 2 80.485 9.005 -2.128 1.00 0.24 H new ATOM 29 N LYS A 3 79.788 10.602 -0.254 1.00 0.23 N ATOM 30 CA LYS A 3 79.597 11.546 0.909 1.00 0.23 C ATOM 31 C LYS A 3 78.160 12.074 0.928 1.00 0.19 C ATOM 32 O LYS A 3 77.864 13.076 1.548 1.00 0.20 O ATOM 33 CB LYS A 3 80.581 12.728 0.873 1.00 0.28 C ATOM 34 CG LYS A 3 82.019 12.201 0.844 1.00 0.34 C ATOM 35 CD LYS A 3 83.003 13.361 1.044 1.00 1.04 C ATOM 36 CE LYS A 3 82.855 14.387 -0.085 1.00 1.30 C ATOM 37 NZ LYS A 3 82.657 13.683 -1.384 1.00 1.98 N ATOM 0 H LYS A 3 79.754 9.617 0.009 1.00 0.23 H new ATOM 0 HA LYS A 3 79.798 10.978 1.818 1.00 0.23 H new ATOM 0 HB2 LYS A 3 80.392 13.345 -0.005 1.00 0.28 H new ATOM 0 HB3 LYS A 3 80.434 13.363 1.746 1.00 0.28 H new ATOM 0 HG2 LYS A 3 82.158 11.455 1.627 1.00 0.34 H new ATOM 0 HG3 LYS A 3 82.215 11.706 -0.107 1.00 0.34 H new ATOM 0 HD2 LYS A 3 82.820 13.840 2.006 1.00 1.04 H new ATOM 0 HD3 LYS A 3 84.024 12.980 1.067 1.00 1.04 H new ATOM 0 HE2 LYS A 3 82.008 15.043 0.116 1.00 1.30 H new ATOM 0 HE3 LYS A 3 83.743 15.018 -0.134 1.00 1.30 H new ATOM 0 HZ1 LYS A 3 82.941 14.309 -2.165 1.00 1.98 H new ATOM 0 HZ2 LYS A 3 83.238 12.820 -1.403 1.00 1.98 H new ATOM 0 HZ3 LYS A 3 81.654 13.428 -1.491 1.00 1.98 H new ATOM 51 N PHE A 4 77.268 11.410 0.251 1.00 0.17 N ATOM 52 CA PHE A 4 75.847 11.869 0.217 1.00 0.17 C ATOM 53 C PHE A 4 75.324 12.165 1.632 1.00 0.16 C ATOM 54 O PHE A 4 74.341 12.860 1.791 1.00 0.15 O ATOM 55 CB PHE A 4 74.979 10.771 -0.421 1.00 0.18 C ATOM 56 CG PHE A 4 74.694 9.675 0.593 1.00 0.18 C ATOM 57 CD1 PHE A 4 75.650 8.687 0.848 1.00 0.21 C ATOM 58 CD2 PHE A 4 73.478 9.668 1.288 1.00 0.19 C ATOM 59 CE1 PHE A 4 75.389 7.687 1.794 1.00 0.24 C ATOM 60 CE2 PHE A 4 73.217 8.672 2.235 1.00 0.23 C ATOM 61 CZ PHE A 4 74.172 7.680 2.489 1.00 0.25 C ATOM 0 H PHE A 4 77.460 10.563 -0.285 1.00 0.17 H new ATOM 0 HA PHE A 4 75.795 12.787 -0.368 1.00 0.17 H new ATOM 0 HB2 PHE A 4 74.042 11.199 -0.778 1.00 0.18 H new ATOM 0 HB3 PHE A 4 75.489 10.351 -1.288 1.00 0.18 H new ATOM 0 HD1 PHE A 4 76.590 8.695 0.316 1.00 0.21 H new ATOM 0 HD2 PHE A 4 72.741 10.433 1.093 1.00 0.19 H new ATOM 0 HE1 PHE A 4 76.126 6.921 1.988 1.00 0.24 H new ATOM 0 HE2 PHE A 4 72.279 8.668 2.770 1.00 0.23 H new ATOM 0 HZ PHE A 4 73.971 6.910 3.220 1.00 0.25 H new ATOM 71 N SER A 5 75.926 11.632 2.660 1.00 0.15 N ATOM 72 CA SER A 5 75.393 11.882 4.030 1.00 0.15 C ATOM 73 C SER A 5 75.648 13.326 4.464 1.00 0.14 C ATOM 74 O SER A 5 75.092 13.793 5.440 1.00 0.14 O ATOM 75 CB SER A 5 76.067 10.922 5.009 1.00 0.18 C ATOM 76 OG SER A 5 77.435 11.279 5.153 1.00 0.21 O ATOM 0 H SER A 5 76.755 11.040 2.613 1.00 0.15 H new ATOM 0 HA SER A 5 74.316 11.717 4.024 1.00 0.15 H new ATOM 0 HB2 SER A 5 75.566 10.960 5.976 1.00 0.18 H new ATOM 0 HB3 SER A 5 75.983 9.897 4.647 1.00 0.18 H new ATOM 0 HG SER A 5 77.869 10.665 5.782 1.00 0.21 H new ATOM 82 N GLN A 6 76.468 14.048 3.751 1.00 0.15 N ATOM 83 CA GLN A 6 76.736 15.465 4.131 1.00 0.16 C ATOM 84 C GLN A 6 75.507 16.329 3.834 1.00 0.14 C ATOM 85 O GLN A 6 75.308 17.355 4.455 1.00 0.15 O ATOM 86 CB GLN A 6 77.938 15.994 3.344 1.00 0.20 C ATOM 87 CG GLN A 6 79.218 15.314 3.840 1.00 0.25 C ATOM 88 CD GLN A 6 80.412 15.837 3.038 1.00 0.29 C ATOM 89 OE1 GLN A 6 80.243 16.589 2.099 1.00 0.93 O ATOM 90 NE2 GLN A 6 81.619 15.469 3.372 1.00 1.12 N ATOM 0 H GLN A 6 76.964 13.719 2.923 1.00 0.15 H new ATOM 0 HA GLN A 6 76.954 15.510 5.198 1.00 0.16 H new ATOM 0 HB2 GLN A 6 77.801 15.802 2.280 1.00 0.20 H new ATOM 0 HB3 GLN A 6 78.018 17.074 3.465 1.00 0.20 H new ATOM 0 HG2 GLN A 6 79.362 15.515 4.902 1.00 0.25 H new ATOM 0 HG3 GLN A 6 79.136 14.233 3.728 1.00 0.25 H new ATOM 0 HE21 GLN A 6 81.760 14.838 4.161 1.00 1.12 H new ATOM 0 HE22 GLN A 6 82.421 15.813 2.844 1.00 1.12 H new ATOM 99 N THR A 7 74.686 15.935 2.885 1.00 0.13 N ATOM 100 CA THR A 7 73.470 16.752 2.546 1.00 0.14 C ATOM 101 C THR A 7 72.206 15.883 2.574 1.00 0.13 C ATOM 102 O THR A 7 71.191 16.262 2.025 1.00 0.14 O ATOM 103 CB THR A 7 73.630 17.360 1.152 1.00 0.16 C ATOM 104 OG1 THR A 7 73.924 16.329 0.221 1.00 0.17 O ATOM 105 CG2 THR A 7 74.766 18.383 1.161 1.00 0.20 C ATOM 0 H THR A 7 74.804 15.086 2.332 1.00 0.13 H new ATOM 0 HA THR A 7 73.371 17.544 3.289 1.00 0.14 H new ATOM 0 HB THR A 7 72.704 17.858 0.865 1.00 0.16 H new ATOM 0 HG1 THR A 7 74.332 16.718 -0.580 1.00 0.17 H new ATOM 0 HG21 THR A 7 74.876 18.813 0.166 1.00 0.20 H new ATOM 0 HG22 THR A 7 74.538 19.174 1.875 1.00 0.20 H new ATOM 0 HG23 THR A 7 75.696 17.892 1.449 1.00 0.20 H new ATOM 113 N CYS A 8 72.241 14.737 3.220 1.00 0.13 N ATOM 114 CA CYS A 8 71.013 13.868 3.296 1.00 0.13 C ATOM 115 C CYS A 8 70.797 13.482 4.762 1.00 0.13 C ATOM 116 O CYS A 8 71.727 13.465 5.543 1.00 0.14 O ATOM 117 CB CYS A 8 71.194 12.625 2.416 1.00 0.12 C ATOM 118 SG CYS A 8 71.530 13.150 0.713 1.00 0.12 S ATOM 0 H CYS A 8 73.063 14.365 3.697 1.00 0.13 H new ATOM 0 HA CYS A 8 70.138 14.404 2.928 1.00 0.13 H new ATOM 0 HB2 CYS A 8 72.016 12.015 2.791 1.00 0.12 H new ATOM 0 HB3 CYS A 8 70.297 12.007 2.449 1.00 0.12 H new ATOM 123 N TYR A 9 69.580 13.203 5.160 1.00 0.13 N ATOM 124 CA TYR A 9 69.330 12.855 6.596 1.00 0.14 C ATOM 125 C TYR A 9 68.185 11.841 6.713 1.00 0.14 C ATOM 126 O TYR A 9 67.527 11.513 5.746 1.00 0.14 O ATOM 127 CB TYR A 9 68.981 14.132 7.363 1.00 0.16 C ATOM 128 CG TYR A 9 67.647 14.658 6.898 1.00 0.18 C ATOM 129 CD1 TYR A 9 67.572 15.495 5.779 1.00 0.23 C ATOM 130 CD2 TYR A 9 66.486 14.308 7.590 1.00 0.21 C ATOM 131 CE1 TYR A 9 66.332 15.984 5.351 1.00 0.27 C ATOM 132 CE2 TYR A 9 65.244 14.798 7.165 1.00 0.26 C ATOM 133 CZ TYR A 9 65.167 15.636 6.045 1.00 0.27 C ATOM 134 OH TYR A 9 63.944 16.116 5.627 1.00 0.33 O ATOM 0 H TYR A 9 68.755 13.201 4.560 1.00 0.13 H new ATOM 0 HA TYR A 9 70.228 12.404 7.019 1.00 0.14 H new ATOM 0 HB2 TYR A 9 68.949 13.927 8.433 1.00 0.16 H new ATOM 0 HB3 TYR A 9 69.754 14.884 7.206 1.00 0.16 H new ATOM 0 HD1 TYR A 9 68.471 15.764 5.245 1.00 0.23 H new ATOM 0 HD2 TYR A 9 66.545 13.660 8.452 1.00 0.21 H new ATOM 0 HE1 TYR A 9 66.274 16.629 4.487 1.00 0.27 H new ATOM 0 HE2 TYR A 9 64.346 14.530 7.701 1.00 0.26 H new ATOM 0 HH TYR A 9 63.240 15.777 6.219 1.00 0.33 H new ATOM 144 N ASN A 10 67.980 11.316 7.894 1.00 0.15 N ATOM 145 CA ASN A 10 66.912 10.291 8.101 1.00 0.16 C ATOM 146 C ASN A 10 67.147 9.121 7.144 1.00 0.15 C ATOM 147 O ASN A 10 66.223 8.525 6.627 1.00 0.16 O ATOM 148 CB ASN A 10 65.522 10.905 7.865 1.00 0.18 C ATOM 149 CG ASN A 10 65.061 11.653 9.125 1.00 0.21 C ATOM 150 OD1 ASN A 10 65.555 11.410 10.209 1.00 0.81 O ATOM 151 ND2 ASN A 10 64.126 12.557 9.028 1.00 0.67 N ATOM 0 H ASN A 10 68.511 11.556 8.731 1.00 0.15 H new ATOM 0 HA ASN A 10 66.952 9.932 9.129 1.00 0.16 H new ATOM 0 HB2 ASN A 10 65.556 11.589 7.017 1.00 0.18 H new ATOM 0 HB3 ASN A 10 64.807 10.122 7.614 1.00 0.18 H new ATOM 0 HD21 ASN A 10 63.812 13.057 9.860 1.00 0.67 H new ATOM 0 HD22 ASN A 10 63.709 12.764 8.120 1.00 0.67 H new ATOM 158 N SER A 11 68.386 8.787 6.913 1.00 0.14 N ATOM 159 CA SER A 11 68.701 7.654 6.004 1.00 0.14 C ATOM 160 C SER A 11 68.201 6.352 6.624 1.00 0.13 C ATOM 161 O SER A 11 68.262 6.151 7.821 1.00 0.14 O ATOM 162 CB SER A 11 70.215 7.569 5.799 1.00 0.15 C ATOM 163 OG SER A 11 70.645 8.677 5.017 1.00 0.18 O ATOM 0 H SER A 11 69.197 9.254 7.318 1.00 0.14 H new ATOM 0 HA SER A 11 68.212 7.813 5.043 1.00 0.14 H new ATOM 0 HB2 SER A 11 70.725 7.569 6.762 1.00 0.15 H new ATOM 0 HB3 SER A 11 70.475 6.635 5.301 1.00 0.15 H new ATOM 0 HG SER A 11 71.615 8.627 4.885 1.00 0.18 H new ATOM 169 N ALA A 12 67.700 5.468 5.804 1.00 0.13 N ATOM 170 CA ALA A 12 67.176 4.170 6.327 1.00 0.13 C ATOM 171 C ALA A 12 67.474 3.059 5.322 1.00 0.13 C ATOM 172 O ALA A 12 67.668 3.304 4.147 1.00 0.13 O ATOM 173 CB ALA A 12 65.663 4.296 6.521 1.00 0.13 C ATOM 0 H ALA A 12 67.630 5.587 4.793 1.00 0.13 H new ATOM 0 HA ALA A 12 67.653 3.929 7.277 1.00 0.13 H new ATOM 0 HB1 ALA A 12 65.266 3.356 6.903 1.00 0.13 H new ATOM 0 HB2 ALA A 12 65.453 5.094 7.233 1.00 0.13 H new ATOM 0 HB3 ALA A 12 65.192 4.528 5.566 1.00 0.13 H new ATOM 179 N ILE A 13 67.525 1.833 5.785 1.00 0.13 N ATOM 180 CA ILE A 13 67.820 0.685 4.872 1.00 0.14 C ATOM 181 C ILE A 13 66.886 -0.485 5.183 1.00 0.14 C ATOM 182 O ILE A 13 66.669 -0.847 6.322 1.00 0.16 O ATOM 183 CB ILE A 13 69.291 0.252 5.031 1.00 0.14 C ATOM 184 CG1 ILE A 13 70.190 1.310 4.373 1.00 0.15 C ATOM 185 CG2 ILE A 13 69.516 -1.104 4.352 1.00 0.16 C ATOM 186 CD1 ILE A 13 71.650 1.120 4.786 1.00 0.17 C ATOM 0 H ILE A 13 67.374 1.578 6.761 1.00 0.13 H new ATOM 0 HA ILE A 13 67.656 0.998 3.841 1.00 0.14 H new ATOM 0 HB ILE A 13 69.533 0.160 6.090 1.00 0.14 H new ATOM 0 HG12 ILE A 13 70.103 1.243 3.289 1.00 0.15 H new ATOM 0 HG13 ILE A 13 69.854 2.307 4.659 1.00 0.15 H new ATOM 0 HG21 ILE A 13 70.558 -1.401 4.470 1.00 0.16 H new ATOM 0 HG22 ILE A 13 68.871 -1.853 4.812 1.00 0.16 H new ATOM 0 HG23 ILE A 13 69.279 -1.023 3.291 1.00 0.16 H new ATOM 0 HD11 ILE A 13 72.266 1.881 4.307 1.00 0.17 H new ATOM 0 HD12 ILE A 13 71.737 1.212 5.869 1.00 0.17 H new ATOM 0 HD13 ILE A 13 71.990 0.131 4.477 1.00 0.17 H new ATOM 198 N GLN A 14 66.344 -1.085 4.156 1.00 0.14 N ATOM 199 CA GLN A 14 65.432 -2.250 4.338 1.00 0.16 C ATOM 200 C GLN A 14 65.811 -3.302 3.298 1.00 0.15 C ATOM 201 O GLN A 14 65.594 -3.126 2.116 1.00 0.15 O ATOM 202 CB GLN A 14 63.982 -1.807 4.120 1.00 0.18 C ATOM 203 CG GLN A 14 63.047 -2.984 4.397 1.00 0.23 C ATOM 204 CD GLN A 14 61.597 -2.548 4.185 1.00 1.00 C ATOM 205 OE1 GLN A 14 61.324 -1.667 3.395 1.00 1.65 O ATOM 206 NE2 GLN A 14 60.650 -3.130 4.867 1.00 1.56 N ATOM 0 H GLN A 14 66.498 -0.812 3.185 1.00 0.14 H new ATOM 0 HA GLN A 14 65.524 -2.657 5.345 1.00 0.16 H new ATOM 0 HB2 GLN A 14 63.741 -0.973 4.780 1.00 0.18 H new ATOM 0 HB3 GLN A 14 63.847 -1.454 3.098 1.00 0.18 H new ATOM 0 HG2 GLN A 14 63.288 -3.816 3.735 1.00 0.23 H new ATOM 0 HG3 GLN A 14 63.185 -3.339 5.418 1.00 0.23 H new ATOM 0 HE21 GLN A 14 60.880 -3.870 5.530 1.00 1.56 H new ATOM 0 HE22 GLN A 14 59.679 -2.845 4.737 1.00 1.56 H new ATOM 215 N GLY A 15 66.396 -4.382 3.721 1.00 0.17 N ATOM 216 CA GLY A 15 66.812 -5.416 2.736 1.00 0.16 C ATOM 217 C GLY A 15 68.030 -4.888 1.971 1.00 0.14 C ATOM 218 O GLY A 15 69.054 -4.599 2.556 1.00 0.14 O ATOM 0 H GLY A 15 66.604 -4.595 4.697 1.00 0.17 H new ATOM 0 HA2 GLY A 15 67.058 -6.348 3.245 1.00 0.16 H new ATOM 0 HA3 GLY A 15 65.996 -5.634 2.047 1.00 0.16 H new ATOM 222 N SER A 16 67.919 -4.726 0.675 1.00 0.12 N ATOM 223 CA SER A 16 69.061 -4.181 -0.133 1.00 0.12 C ATOM 224 C SER A 16 68.698 -2.780 -0.646 1.00 0.11 C ATOM 225 O SER A 16 69.406 -2.204 -1.449 1.00 0.12 O ATOM 226 CB SER A 16 69.315 -5.097 -1.329 1.00 0.14 C ATOM 227 OG SER A 16 68.143 -5.153 -2.133 1.00 0.20 O ATOM 0 H SER A 16 67.082 -4.949 0.136 1.00 0.12 H new ATOM 0 HA SER A 16 69.954 -4.127 0.489 1.00 0.12 H new ATOM 0 HB2 SER A 16 70.155 -4.725 -1.915 1.00 0.14 H new ATOM 0 HB3 SER A 16 69.583 -6.096 -0.986 1.00 0.14 H new ATOM 0 HG SER A 16 68.260 -4.584 -2.922 1.00 0.20 H new ATOM 233 N VAL A 17 67.580 -2.243 -0.221 1.00 0.11 N ATOM 234 CA VAL A 17 67.146 -0.898 -0.726 1.00 0.11 C ATOM 235 C VAL A 17 67.628 0.248 0.180 1.00 0.11 C ATOM 236 O VAL A 17 67.302 0.318 1.350 1.00 0.13 O ATOM 237 CB VAL A 17 65.617 -0.872 -0.793 1.00 0.14 C ATOM 238 CG1 VAL A 17 65.134 0.523 -1.194 1.00 0.16 C ATOM 239 CG2 VAL A 17 65.141 -1.891 -1.830 1.00 0.19 C ATOM 0 H VAL A 17 66.948 -2.676 0.453 1.00 0.11 H new ATOM 0 HA VAL A 17 67.589 -0.748 -1.711 1.00 0.11 H new ATOM 0 HB VAL A 17 65.210 -1.122 0.187 1.00 0.14 H new ATOM 0 HG11 VAL A 17 64.045 0.532 -1.239 1.00 0.16 H new ATOM 0 HG12 VAL A 17 65.473 1.251 -0.457 1.00 0.16 H new ATOM 0 HG13 VAL A 17 65.540 0.781 -2.172 1.00 0.16 H new ATOM 0 HG21 VAL A 17 64.052 -1.876 -1.881 1.00 0.19 H new ATOM 0 HG22 VAL A 17 65.554 -1.637 -2.806 1.00 0.19 H new ATOM 0 HG23 VAL A 17 65.477 -2.887 -1.542 1.00 0.19 H new ATOM 249 N LEU A 18 68.356 1.172 -0.383 1.00 0.11 N ATOM 250 CA LEU A 18 68.816 2.364 0.395 1.00 0.12 C ATOM 251 C LEU A 18 67.792 3.480 0.151 1.00 0.12 C ATOM 252 O LEU A 18 67.465 3.796 -0.976 1.00 0.13 O ATOM 253 CB LEU A 18 70.210 2.798 -0.096 1.00 0.14 C ATOM 254 CG LEU A 18 70.631 4.133 0.542 1.00 0.17 C ATOM 255 CD1 LEU A 18 70.724 3.990 2.065 1.00 0.24 C ATOM 256 CD2 LEU A 18 71.996 4.552 -0.017 1.00 0.20 C ATOM 0 H LEU A 18 68.656 1.155 -1.358 1.00 0.11 H new ATOM 0 HA LEU A 18 68.891 2.138 1.459 1.00 0.12 H new ATOM 0 HB2 LEU A 18 70.941 2.028 0.149 1.00 0.14 H new ATOM 0 HB3 LEU A 18 70.202 2.897 -1.182 1.00 0.14 H new ATOM 0 HG LEU A 18 69.885 4.891 0.306 1.00 0.17 H new ATOM 0 HD11 LEU A 18 71.023 4.943 2.502 1.00 0.24 H new ATOM 0 HD12 LEU A 18 69.752 3.697 2.463 1.00 0.24 H new ATOM 0 HD13 LEU A 18 71.463 3.229 2.314 1.00 0.24 H new ATOM 0 HD21 LEU A 18 72.298 5.498 0.432 1.00 0.20 H new ATOM 0 HD22 LEU A 18 72.736 3.786 0.217 1.00 0.20 H new ATOM 0 HD23 LEU A 18 71.926 4.670 -1.098 1.00 0.20 H new ATOM 268 N THR A 19 67.279 4.075 1.206 1.00 0.13 N ATOM 269 CA THR A 19 66.257 5.164 1.056 1.00 0.14 C ATOM 270 C THR A 19 66.677 6.385 1.883 1.00 0.14 C ATOM 271 O THR A 19 67.054 6.263 3.032 1.00 0.14 O ATOM 272 CB THR A 19 64.915 4.629 1.572 1.00 0.16 C ATOM 273 OG1 THR A 19 64.504 3.535 0.767 1.00 0.20 O ATOM 274 CG2 THR A 19 63.833 5.714 1.542 1.00 0.19 C ATOM 0 H THR A 19 67.526 3.851 2.170 1.00 0.13 H new ATOM 0 HA THR A 19 66.171 5.462 0.011 1.00 0.14 H new ATOM 0 HB THR A 19 65.050 4.309 2.605 1.00 0.16 H new ATOM 0 HG1 THR A 19 64.291 3.854 -0.135 1.00 0.20 H new ATOM 0 HG21 THR A 19 62.895 5.302 1.914 1.00 0.19 H new ATOM 0 HG22 THR A 19 64.138 6.549 2.172 1.00 0.19 H new ATOM 0 HG23 THR A 19 63.696 6.063 0.518 1.00 0.19 H new ATOM 282 N SER A 20 66.620 7.559 1.324 1.00 0.14 N ATOM 283 CA SER A 20 67.033 8.748 2.134 1.00 0.15 C ATOM 284 C SER A 20 66.460 10.045 1.552 1.00 0.14 C ATOM 285 O SER A 20 66.129 10.133 0.387 1.00 0.14 O ATOM 286 CB SER A 20 68.558 8.838 2.145 1.00 0.16 C ATOM 287 OG SER A 20 68.958 9.881 3.025 1.00 0.22 O ATOM 0 H SER A 20 66.315 7.751 0.370 1.00 0.14 H new ATOM 0 HA SER A 20 66.647 8.625 3.146 1.00 0.15 H new ATOM 0 HB2 SER A 20 68.988 7.889 2.467 1.00 0.16 H new ATOM 0 HB3 SER A 20 68.930 9.032 1.139 1.00 0.16 H new ATOM 0 HG SER A 20 69.537 9.514 3.726 1.00 0.22 H new ATOM 293 N THR A 21 66.375 11.060 2.375 1.00 0.16 N ATOM 294 CA THR A 21 65.859 12.385 1.906 1.00 0.16 C ATOM 295 C THR A 21 67.070 13.284 1.635 1.00 0.15 C ATOM 296 O THR A 21 67.896 13.483 2.504 1.00 0.17 O ATOM 297 CB THR A 21 64.985 13.003 3.003 1.00 0.19 C ATOM 298 OG1 THR A 21 63.862 12.163 3.236 1.00 0.22 O ATOM 299 CG2 THR A 21 64.508 14.390 2.572 1.00 0.25 C ATOM 0 H THR A 21 66.643 11.028 3.359 1.00 0.16 H new ATOM 0 HA THR A 21 65.260 12.274 1.002 1.00 0.16 H new ATOM 0 HB THR A 21 65.569 13.098 3.918 1.00 0.19 H new ATOM 0 HG1 THR A 21 63.301 12.554 3.938 1.00 0.22 H new ATOM 0 HG21 THR A 21 63.888 14.822 3.357 1.00 0.25 H new ATOM 0 HG22 THR A 21 65.370 15.033 2.396 1.00 0.25 H new ATOM 0 HG23 THR A 21 63.925 14.306 1.655 1.00 0.25 H new ATOM 307 N CYS A 22 67.196 13.814 0.436 1.00 0.14 N ATOM 308 CA CYS A 22 68.379 14.682 0.106 1.00 0.15 C ATOM 309 C CYS A 22 67.937 16.070 -0.357 1.00 0.15 C ATOM 310 O CYS A 22 66.819 16.270 -0.792 1.00 0.16 O ATOM 311 CB CYS A 22 69.178 14.009 -1.008 1.00 0.14 C ATOM 312 SG CYS A 22 69.941 12.498 -0.358 1.00 0.14 S ATOM 0 H CYS A 22 66.532 13.683 -0.327 1.00 0.14 H new ATOM 0 HA CYS A 22 68.988 14.803 1.002 1.00 0.15 H new ATOM 0 HB2 CYS A 22 68.525 13.770 -1.848 1.00 0.14 H new ATOM 0 HB3 CYS A 22 69.945 14.687 -1.383 1.00 0.14 H new ATOM 317 N GLU A 23 68.819 17.032 -0.263 1.00 0.18 N ATOM 318 CA GLU A 23 68.481 18.422 -0.684 1.00 0.19 C ATOM 319 C GLU A 23 68.806 18.658 -2.163 1.00 0.19 C ATOM 320 O GLU A 23 69.793 18.188 -2.691 1.00 0.22 O ATOM 321 CB GLU A 23 69.264 19.425 0.164 1.00 0.24 C ATOM 322 CG GLU A 23 68.762 20.835 -0.144 1.00 0.27 C ATOM 323 CD GLU A 23 69.401 21.829 0.827 1.00 0.32 C ATOM 324 OE1 GLU A 23 70.139 21.389 1.693 1.00 0.36 O ATOM 325 OE2 GLU A 23 69.142 23.013 0.687 1.00 0.35 O ATOM 0 H GLU A 23 69.768 16.911 0.091 1.00 0.18 H new ATOM 0 HA GLU A 23 67.409 18.560 -0.540 1.00 0.19 H new ATOM 0 HB2 GLU A 23 69.136 19.203 1.223 1.00 0.24 H new ATOM 0 HB3 GLU A 23 70.330 19.349 -0.051 1.00 0.24 H new ATOM 0 HG2 GLU A 23 69.009 21.104 -1.171 1.00 0.27 H new ATOM 0 HG3 GLU A 23 67.676 20.873 -0.057 1.00 0.27 H new ATOM 332 N ARG A 24 67.969 19.425 -2.810 1.00 0.20 N ATOM 333 CA ARG A 24 68.168 19.776 -4.247 1.00 0.23 C ATOM 334 C ARG A 24 69.160 20.934 -4.364 1.00 0.25 C ATOM 335 O ARG A 24 69.300 21.747 -3.473 1.00 0.24 O ATOM 336 CB ARG A 24 66.836 20.244 -4.843 1.00 0.24 C ATOM 337 CG ARG A 24 65.875 19.067 -5.007 1.00 0.34 C ATOM 338 CD ARG A 24 64.570 19.582 -5.626 1.00 0.51 C ATOM 339 NE ARG A 24 63.566 18.472 -5.733 1.00 0.97 N ATOM 340 CZ ARG A 24 63.809 17.382 -6.412 1.00 1.52 C ATOM 341 NH1 ARG A 24 64.879 17.288 -7.153 1.00 1.87 N ATOM 342 NH2 ARG A 24 62.950 16.399 -6.385 1.00 2.24 N ATOM 0 H ARG A 24 67.134 19.833 -2.391 1.00 0.20 H new ATOM 0 HA ARG A 24 68.543 18.899 -4.774 1.00 0.23 H new ATOM 0 HB2 ARG A 24 66.388 20.999 -4.197 1.00 0.24 H new ATOM 0 HB3 ARG A 24 67.010 20.715 -5.810 1.00 0.24 H new ATOM 0 HG2 ARG A 24 66.319 18.302 -5.644 1.00 0.34 H new ATOM 0 HG3 ARG A 24 65.678 18.602 -4.041 1.00 0.34 H new ATOM 0 HD2 ARG A 24 64.165 20.389 -5.016 1.00 0.51 H new ATOM 0 HD3 ARG A 24 64.768 19.998 -6.614 1.00 0.51 H new ATOM 0 HE ARG A 24 62.667 18.571 -5.262 1.00 0.97 H new ATOM 0 HH11 ARG A 24 65.533 18.069 -7.205 1.00 1.87 H new ATOM 0 HH12 ARG A 24 65.061 16.434 -7.680 1.00 1.87 H new ATOM 0 HH21 ARG A 24 62.095 16.484 -5.836 1.00 2.24 H new ATOM 0 HH22 ARG A 24 63.134 15.546 -6.913 1.00 2.24 H new ATOM 356 N THR A 25 69.847 21.010 -5.472 1.00 0.32 N ATOM 357 CA THR A 25 70.832 22.106 -5.685 1.00 0.37 C ATOM 358 C THR A 25 70.125 23.460 -5.612 1.00 0.34 C ATOM 359 O THR A 25 70.647 24.415 -5.076 1.00 0.35 O ATOM 360 CB THR A 25 71.483 21.933 -7.059 1.00 0.45 C ATOM 361 OG1 THR A 25 72.193 20.702 -7.094 1.00 1.12 O ATOM 362 CG2 THR A 25 72.442 23.093 -7.337 1.00 1.23 C ATOM 0 H THR A 25 69.766 20.351 -6.246 1.00 0.32 H new ATOM 0 HA THR A 25 71.597 22.066 -4.910 1.00 0.37 H new ATOM 0 HB THR A 25 70.707 21.927 -7.825 1.00 0.45 H new ATOM 0 HG1 THR A 25 72.609 20.589 -7.974 1.00 1.12 H new ATOM 0 HG21 THR A 25 72.900 22.960 -8.317 1.00 1.23 H new ATOM 0 HG22 THR A 25 71.891 24.033 -7.319 1.00 1.23 H new ATOM 0 HG23 THR A 25 73.219 23.113 -6.573 1.00 1.23 H new ATOM 370 N ASN A 26 68.946 23.554 -6.169 1.00 0.32 N ATOM 371 CA ASN A 26 68.209 24.857 -6.143 1.00 0.30 C ATOM 372 C ASN A 26 67.306 24.913 -4.910 1.00 0.27 C ATOM 373 O ASN A 26 66.280 25.565 -4.907 1.00 0.25 O ATOM 374 CB ASN A 26 67.370 25.002 -7.413 1.00 0.31 C ATOM 375 CG ASN A 26 68.287 25.365 -8.583 1.00 1.30 C ATOM 376 OD1 ASN A 26 69.339 25.944 -8.389 1.00 1.98 O ATOM 377 ND2 ASN A 26 67.934 25.047 -9.794 1.00 2.23 N ATOM 0 H ASN A 26 68.461 22.790 -6.639 1.00 0.32 H new ATOM 0 HA ASN A 26 68.926 25.676 -6.097 1.00 0.30 H new ATOM 0 HB2 ASN A 26 66.843 24.071 -7.623 1.00 0.31 H new ATOM 0 HB3 ASN A 26 66.612 25.773 -7.276 1.00 0.31 H new ATOM 0 HD21 ASN A 26 68.539 25.283 -10.580 1.00 2.23 H new ATOM 0 HD22 ASN A 26 67.052 24.561 -9.957 1.00 2.23 H new ATOM 384 N GLY A 27 67.689 24.244 -3.859 1.00 0.27 N ATOM 385 CA GLY A 27 66.868 24.264 -2.618 1.00 0.26 C ATOM 386 C GLY A 27 65.633 23.380 -2.790 1.00 0.23 C ATOM 387 O GLY A 27 65.212 23.092 -3.892 1.00 0.22 O ATOM 0 H GLY A 27 68.539 23.682 -3.806 1.00 0.27 H new ATOM 0 HA2 GLY A 27 67.462 23.912 -1.774 1.00 0.26 H new ATOM 0 HA3 GLY A 27 66.564 25.286 -2.390 1.00 0.26 H new ATOM 391 N GLY A 28 65.103 22.889 -1.700 1.00 0.23 N ATOM 392 CA GLY A 28 63.937 21.947 -1.769 1.00 0.23 C ATOM 393 C GLY A 28 64.462 20.561 -1.380 1.00 0.23 C ATOM 394 O GLY A 28 65.618 20.265 -1.608 1.00 0.24 O ATOM 0 H GLY A 28 65.428 23.100 -0.756 1.00 0.23 H new ATOM 0 HA2 GLY A 28 63.144 22.264 -1.092 1.00 0.23 H new ATOM 0 HA3 GLY A 28 63.512 21.931 -2.773 1.00 0.23 H new ATOM 398 N TYR A 29 63.645 19.695 -0.818 1.00 0.22 N ATOM 399 CA TYR A 29 64.146 18.323 -0.447 1.00 0.21 C ATOM 400 C TYR A 29 63.525 17.275 -1.365 1.00 0.20 C ATOM 401 O TYR A 29 62.401 17.401 -1.809 1.00 0.21 O ATOM 402 CB TYR A 29 63.784 17.988 1.013 1.00 0.24 C ATOM 403 CG TYR A 29 64.767 18.656 1.950 1.00 0.27 C ATOM 404 CD1 TYR A 29 66.072 18.145 2.084 1.00 0.27 C ATOM 405 CD2 TYR A 29 64.379 19.782 2.685 1.00 0.31 C ATOM 406 CE1 TYR A 29 66.976 18.765 2.954 1.00 0.32 C ATOM 407 CE2 TYR A 29 65.285 20.399 3.552 1.00 0.35 C ATOM 408 CZ TYR A 29 66.582 19.890 3.688 1.00 0.36 C ATOM 409 OH TYR A 29 67.474 20.503 4.543 1.00 0.42 O ATOM 0 H TYR A 29 62.664 19.874 -0.602 1.00 0.22 H new ATOM 0 HA TYR A 29 65.230 18.316 -0.558 1.00 0.21 H new ATOM 0 HB2 TYR A 29 62.771 18.325 1.233 1.00 0.24 H new ATOM 0 HB3 TYR A 29 63.800 16.909 1.163 1.00 0.24 H new ATOM 0 HD1 TYR A 29 66.375 17.277 1.517 1.00 0.27 H new ATOM 0 HD2 TYR A 29 63.378 20.175 2.582 1.00 0.31 H new ATOM 0 HE1 TYR A 29 67.978 18.375 3.059 1.00 0.32 H new ATOM 0 HE2 TYR A 29 64.984 21.269 4.117 1.00 0.35 H new ATOM 0 HH TYR A 29 67.041 21.269 4.974 1.00 0.42 H new ATOM 419 N ASN A 30 64.267 16.234 -1.641 1.00 0.19 N ATOM 420 CA ASN A 30 63.768 15.142 -2.533 1.00 0.20 C ATOM 421 C ASN A 30 63.906 13.800 -1.815 1.00 0.19 C ATOM 422 O ASN A 30 64.810 13.598 -1.027 1.00 0.21 O ATOM 423 CB ASN A 30 64.612 15.119 -3.813 1.00 0.23 C ATOM 424 CG ASN A 30 64.063 14.057 -4.770 1.00 0.27 C ATOM 425 OD1 ASN A 30 62.972 13.558 -4.581 1.00 0.42 O ATOM 426 ND2 ASN A 30 64.779 13.692 -5.800 1.00 0.35 N ATOM 0 H ASN A 30 65.211 16.091 -1.282 1.00 0.19 H new ATOM 0 HA ASN A 30 62.721 15.317 -2.782 1.00 0.20 H new ATOM 0 HB2 ASN A 30 64.593 16.098 -4.291 1.00 0.23 H new ATOM 0 HB3 ASN A 30 65.652 14.902 -3.571 1.00 0.23 H new ATOM 0 HD21 ASN A 30 64.422 12.988 -6.446 1.00 0.35 H new ATOM 0 HD22 ASN A 30 65.695 14.111 -5.959 1.00 0.35 H new ATOM 433 N THR A 31 63.012 12.881 -2.088 1.00 0.18 N ATOM 434 CA THR A 31 63.059 11.532 -1.439 1.00 0.17 C ATOM 435 C THR A 31 63.287 10.508 -2.547 1.00 0.15 C ATOM 436 O THR A 31 62.614 10.532 -3.557 1.00 0.17 O ATOM 437 CB THR A 31 61.705 11.302 -0.758 1.00 0.21 C ATOM 438 OG1 THR A 31 61.500 12.320 0.211 1.00 0.28 O ATOM 439 CG2 THR A 31 61.621 9.937 -0.067 1.00 0.23 C ATOM 0 H THR A 31 62.240 13.010 -2.742 1.00 0.18 H new ATOM 0 HA THR A 31 63.853 11.449 -0.697 1.00 0.17 H new ATOM 0 HB THR A 31 60.937 11.329 -1.531 1.00 0.21 H new ATOM 0 HG1 THR A 31 60.635 12.183 0.651 1.00 0.28 H new ATOM 0 HG21 THR A 31 60.642 9.825 0.399 1.00 0.23 H new ATOM 0 HG22 THR A 31 61.765 9.147 -0.804 1.00 0.23 H new ATOM 0 HG23 THR A 31 62.396 9.867 0.696 1.00 0.23 H new ATOM 447 N SER A 32 64.237 9.626 -2.403 1.00 0.15 N ATOM 448 CA SER A 32 64.487 8.647 -3.500 1.00 0.16 C ATOM 449 C SER A 32 65.079 7.351 -2.953 1.00 0.16 C ATOM 450 O SER A 32 65.514 7.266 -1.822 1.00 0.17 O ATOM 451 CB SER A 32 65.460 9.262 -4.506 1.00 0.20 C ATOM 452 OG SER A 32 66.743 9.383 -3.906 1.00 0.27 O ATOM 0 H SER A 32 64.843 9.540 -1.587 1.00 0.15 H new ATOM 0 HA SER A 32 63.538 8.415 -3.983 1.00 0.16 H new ATOM 0 HB2 SER A 32 65.521 8.639 -5.398 1.00 0.20 H new ATOM 0 HB3 SER A 32 65.101 10.241 -4.825 1.00 0.20 H new ATOM 0 HG SER A 32 67.326 9.917 -4.485 1.00 0.27 H new ATOM 458 N SER A 33 65.085 6.335 -3.774 1.00 0.16 N ATOM 459 CA SER A 33 65.628 5.012 -3.364 1.00 0.16 C ATOM 460 C SER A 33 66.442 4.416 -4.514 1.00 0.14 C ATOM 461 O SER A 33 66.138 4.611 -5.673 1.00 0.15 O ATOM 462 CB SER A 33 64.466 4.070 -3.030 1.00 0.18 C ATOM 463 OG SER A 33 63.854 4.489 -1.817 1.00 0.24 O ATOM 0 H SER A 33 64.729 6.370 -4.729 1.00 0.16 H new ATOM 0 HA SER A 33 66.267 5.136 -2.489 1.00 0.16 H new ATOM 0 HB2 SER A 33 63.736 4.074 -3.839 1.00 0.18 H new ATOM 0 HB3 SER A 33 64.829 3.047 -2.933 1.00 0.18 H new ATOM 0 HG SER A 33 63.100 3.899 -1.610 1.00 0.24 H new ATOM 469 N ILE A 34 67.468 3.679 -4.190 1.00 0.14 N ATOM 470 CA ILE A 34 68.319 3.046 -5.244 1.00 0.14 C ATOM 471 C ILE A 34 68.694 1.640 -4.784 1.00 0.13 C ATOM 472 O ILE A 34 69.012 1.421 -3.633 1.00 0.16 O ATOM 473 CB ILE A 34 69.593 3.879 -5.445 1.00 0.17 C ATOM 474 CG1 ILE A 34 70.373 3.344 -6.650 1.00 0.21 C ATOM 475 CG2 ILE A 34 70.477 3.793 -4.198 1.00 0.17 C ATOM 476 CD1 ILE A 34 71.468 4.343 -7.031 1.00 0.28 C ATOM 0 H ILE A 34 67.758 3.485 -3.232 1.00 0.14 H new ATOM 0 HA ILE A 34 67.774 2.998 -6.187 1.00 0.14 H new ATOM 0 HB ILE A 34 69.312 4.918 -5.619 1.00 0.17 H new ATOM 0 HG12 ILE A 34 70.815 2.377 -6.411 1.00 0.21 H new ATOM 0 HG13 ILE A 34 69.699 3.187 -7.493 1.00 0.21 H new ATOM 0 HG21 ILE A 34 71.378 4.387 -4.349 1.00 0.17 H new ATOM 0 HG22 ILE A 34 69.930 4.177 -3.337 1.00 0.17 H new ATOM 0 HG23 ILE A 34 70.753 2.754 -4.019 1.00 0.17 H new ATOM 0 HD11 ILE A 34 72.024 3.964 -7.888 1.00 0.28 H new ATOM 0 HD12 ILE A 34 71.014 5.300 -7.287 1.00 0.28 H new ATOM 0 HD13 ILE A 34 72.147 4.477 -6.189 1.00 0.28 H new ATOM 488 N ASP A 35 68.661 0.679 -5.664 1.00 0.14 N ATOM 489 CA ASP A 35 69.016 -0.706 -5.244 1.00 0.14 C ATOM 490 C ASP A 35 70.541 -0.848 -5.245 1.00 0.13 C ATOM 491 O ASP A 35 71.182 -0.761 -6.273 1.00 0.14 O ATOM 492 CB ASP A 35 68.397 -1.719 -6.217 1.00 0.15 C ATOM 493 CG ASP A 35 68.391 -3.108 -5.567 1.00 0.16 C ATOM 494 OD1 ASP A 35 69.010 -3.256 -4.525 1.00 0.18 O ATOM 495 OD2 ASP A 35 67.771 -3.998 -6.125 1.00 0.20 O ATOM 0 H ASP A 35 68.407 0.789 -6.646 1.00 0.14 H new ATOM 0 HA ASP A 35 68.629 -0.899 -4.243 1.00 0.14 H new ATOM 0 HB2 ASP A 35 67.380 -1.420 -6.473 1.00 0.15 H new ATOM 0 HB3 ASP A 35 68.966 -1.742 -7.146 1.00 0.15 H new ATOM 500 N LEU A 36 71.120 -1.086 -4.102 1.00 0.13 N ATOM 501 CA LEU A 36 72.600 -1.255 -4.021 1.00 0.14 C ATOM 502 C LEU A 36 72.962 -2.649 -4.508 1.00 0.13 C ATOM 503 O LEU A 36 74.118 -3.002 -4.625 1.00 0.13 O ATOM 504 CB LEU A 36 73.043 -1.139 -2.565 1.00 0.16 C ATOM 505 CG LEU A 36 72.668 0.231 -1.992 1.00 0.17 C ATOM 506 CD1 LEU A 36 72.887 0.223 -0.468 1.00 0.22 C ATOM 507 CD2 LEU A 36 73.539 1.323 -2.639 1.00 0.24 C ATOM 0 H LEU A 36 70.629 -1.172 -3.212 1.00 0.13 H new ATOM 0 HA LEU A 36 73.086 -0.492 -4.629 1.00 0.14 H new ATOM 0 HB2 LEU A 36 72.575 -1.926 -1.974 1.00 0.16 H new ATOM 0 HB3 LEU A 36 74.121 -1.285 -2.495 1.00 0.16 H new ATOM 0 HG LEU A 36 71.620 0.440 -2.207 1.00 0.17 H new ATOM 0 HD11 LEU A 36 72.621 1.197 -0.057 1.00 0.22 H new ATOM 0 HD12 LEU A 36 72.261 -0.545 -0.014 1.00 0.22 H new ATOM 0 HD13 LEU A 36 73.934 0.012 -0.252 1.00 0.22 H new ATOM 0 HD21 LEU A 36 73.268 2.295 -2.228 1.00 0.24 H new ATOM 0 HD22 LEU A 36 74.590 1.121 -2.431 1.00 0.24 H new ATOM 0 HD23 LEU A 36 73.377 1.327 -3.717 1.00 0.24 H new ATOM 519 N ASN A 37 71.980 -3.455 -4.759 1.00 0.13 N ATOM 520 CA ASN A 37 72.251 -4.848 -5.191 1.00 0.12 C ATOM 521 C ASN A 37 73.072 -4.848 -6.484 1.00 0.11 C ATOM 522 O ASN A 37 73.946 -5.673 -6.670 1.00 0.11 O ATOM 523 CB ASN A 37 70.914 -5.558 -5.409 1.00 0.14 C ATOM 524 CG ASN A 37 71.153 -7.023 -5.750 1.00 0.15 C ATOM 525 OD1 ASN A 37 71.840 -7.336 -6.704 1.00 0.24 O ATOM 526 ND2 ASN A 37 70.610 -7.941 -5.000 1.00 0.22 N ATOM 0 H ASN A 37 70.993 -3.209 -4.684 1.00 0.13 H new ATOM 0 HA ASN A 37 72.824 -5.371 -4.425 1.00 0.12 H new ATOM 0 HB2 ASN A 37 70.301 -5.480 -4.511 1.00 0.14 H new ATOM 0 HB3 ASN A 37 70.362 -5.074 -6.215 1.00 0.14 H new ATOM 0 HD21 ASN A 37 70.760 -8.927 -5.212 1.00 0.22 H new ATOM 0 HD22 ASN A 37 70.035 -7.673 -4.201 1.00 0.22 H new ATOM 533 N SER A 38 72.791 -3.955 -7.390 1.00 0.12 N ATOM 534 CA SER A 38 73.545 -3.926 -8.677 1.00 0.12 C ATOM 535 C SER A 38 74.979 -3.411 -8.483 1.00 0.12 C ATOM 536 O SER A 38 75.700 -3.243 -9.447 1.00 0.13 O ATOM 537 CB SER A 38 72.820 -3.012 -9.665 1.00 0.12 C ATOM 538 OG SER A 38 72.632 -1.734 -9.072 1.00 1.29 O ATOM 0 H SER A 38 72.069 -3.240 -7.296 1.00 0.12 H new ATOM 0 HA SER A 38 73.596 -4.945 -9.059 1.00 0.12 H new ATOM 0 HB2 SER A 38 73.399 -2.918 -10.583 1.00 0.12 H new ATOM 0 HB3 SER A 38 71.857 -3.444 -9.938 1.00 0.12 H new ATOM 0 HG SER A 38 72.169 -1.145 -9.704 1.00 1.29 H new ATOM 544 N VAL A 39 75.402 -3.115 -7.269 1.00 0.12 N ATOM 545 CA VAL A 39 76.798 -2.578 -7.082 1.00 0.13 C ATOM 546 C VAL A 39 77.538 -3.264 -5.909 1.00 0.14 C ATOM 547 O VAL A 39 78.703 -3.003 -5.694 1.00 0.16 O ATOM 548 CB VAL A 39 76.723 -1.059 -6.842 1.00 0.14 C ATOM 549 CG1 VAL A 39 76.509 -0.332 -8.174 1.00 0.15 C ATOM 550 CG2 VAL A 39 75.555 -0.734 -5.909 1.00 0.17 C ATOM 0 H VAL A 39 74.854 -3.219 -6.415 1.00 0.12 H new ATOM 0 HA VAL A 39 77.367 -2.792 -7.987 1.00 0.13 H new ATOM 0 HB VAL A 39 77.658 -0.731 -6.388 1.00 0.14 H new ATOM 0 HG11 VAL A 39 76.457 0.742 -7.998 1.00 0.15 H new ATOM 0 HG12 VAL A 39 77.340 -0.550 -8.845 1.00 0.15 H new ATOM 0 HG13 VAL A 39 75.578 -0.671 -8.628 1.00 0.15 H new ATOM 0 HG21 VAL A 39 75.509 0.343 -5.745 1.00 0.17 H new ATOM 0 HG22 VAL A 39 74.623 -1.072 -6.362 1.00 0.17 H new ATOM 0 HG23 VAL A 39 75.700 -1.241 -4.955 1.00 0.17 H new ATOM 560 N ILE A 40 76.894 -4.136 -5.158 1.00 0.14 N ATOM 561 CA ILE A 40 77.600 -4.820 -4.006 1.00 0.15 C ATOM 562 C ILE A 40 77.747 -6.332 -4.247 1.00 0.13 C ATOM 563 O ILE A 40 76.795 -7.018 -4.561 1.00 0.13 O ATOM 564 CB ILE A 40 76.817 -4.629 -2.704 1.00 0.17 C ATOM 565 CG1 ILE A 40 76.684 -3.142 -2.371 1.00 0.24 C ATOM 566 CG2 ILE A 40 77.574 -5.318 -1.562 1.00 0.17 C ATOM 567 CD1 ILE A 40 75.687 -2.985 -1.221 1.00 0.27 C ATOM 0 H ILE A 40 75.919 -4.405 -5.288 1.00 0.14 H new ATOM 0 HA ILE A 40 78.588 -4.365 -3.931 1.00 0.15 H new ATOM 0 HB ILE A 40 75.823 -5.060 -2.825 1.00 0.17 H new ATOM 0 HG12 ILE A 40 77.653 -2.729 -2.090 1.00 0.24 H new ATOM 0 HG13 ILE A 40 76.343 -2.588 -3.245 1.00 0.24 H new ATOM 0 HG21 ILE A 40 77.024 -5.187 -0.630 1.00 0.17 H new ATOM 0 HG22 ILE A 40 77.672 -6.382 -1.780 1.00 0.17 H new ATOM 0 HG23 ILE A 40 78.565 -4.875 -1.463 1.00 0.17 H new ATOM 0 HD11 ILE A 40 75.582 -1.929 -0.972 1.00 0.27 H new ATOM 0 HD12 ILE A 40 74.719 -3.385 -1.522 1.00 0.27 H new ATOM 0 HD13 ILE A 40 76.049 -3.529 -0.349 1.00 0.27 H new ATOM 579 N GLU A 41 78.947 -6.850 -4.064 1.00 0.14 N ATOM 580 CA GLU A 41 79.205 -8.328 -4.232 1.00 0.13 C ATOM 581 C GLU A 41 79.813 -8.868 -2.935 1.00 0.12 C ATOM 582 O GLU A 41 80.494 -8.164 -2.224 1.00 0.12 O ATOM 583 CB GLU A 41 80.213 -8.572 -5.367 1.00 0.16 C ATOM 584 CG GLU A 41 80.612 -10.053 -5.409 1.00 0.19 C ATOM 585 CD GLU A 41 81.362 -10.346 -6.709 1.00 0.24 C ATOM 586 OE1 GLU A 41 81.527 -9.427 -7.494 1.00 0.33 O ATOM 587 OE2 GLU A 41 81.758 -11.484 -6.899 1.00 0.30 O ATOM 0 H GLU A 41 79.769 -6.305 -3.802 1.00 0.14 H new ATOM 0 HA GLU A 41 78.265 -8.827 -4.467 1.00 0.13 H new ATOM 0 HB2 GLU A 41 79.776 -8.278 -6.321 1.00 0.16 H new ATOM 0 HB3 GLU A 41 81.098 -7.953 -5.217 1.00 0.16 H new ATOM 0 HG2 GLU A 41 81.241 -10.295 -4.552 1.00 0.19 H new ATOM 0 HG3 GLU A 41 79.724 -10.681 -5.340 1.00 0.19 H new ATOM 594 N ASN A 42 79.611 -10.129 -2.647 1.00 0.12 N ATOM 595 CA ASN A 42 80.207 -10.756 -1.433 1.00 0.12 C ATOM 596 C ASN A 42 81.431 -11.554 -1.884 1.00 0.12 C ATOM 597 O ASN A 42 81.311 -12.486 -2.655 1.00 0.12 O ATOM 598 CB ASN A 42 79.178 -11.701 -0.803 1.00 0.14 C ATOM 599 CG ASN A 42 79.838 -12.528 0.304 1.00 0.14 C ATOM 600 OD1 ASN A 42 80.905 -12.192 0.779 1.00 0.19 O ATOM 601 ND2 ASN A 42 79.238 -13.603 0.737 1.00 0.27 N ATOM 0 H ASN A 42 79.047 -10.761 -3.215 1.00 0.12 H new ATOM 0 HA ASN A 42 80.492 -10.002 -0.699 1.00 0.12 H new ATOM 0 HB2 ASN A 42 78.347 -11.127 -0.393 1.00 0.14 H new ATOM 0 HB3 ASN A 42 78.764 -12.362 -1.565 1.00 0.14 H new ATOM 0 HD21 ASN A 42 79.665 -14.163 1.475 1.00 0.27 H new ATOM 0 HD22 ASN A 42 78.343 -13.883 0.337 1.00 0.27 H new ATOM 608 N VAL A 43 82.609 -11.204 -1.417 1.00 0.12 N ATOM 609 CA VAL A 43 83.841 -11.956 -1.833 1.00 0.14 C ATOM 610 C VAL A 43 84.432 -12.700 -0.632 1.00 0.13 C ATOM 611 O VAL A 43 85.098 -12.138 0.213 1.00 0.13 O ATOM 612 CB VAL A 43 84.878 -10.975 -2.389 1.00 0.16 C ATOM 613 CG1 VAL A 43 86.130 -11.749 -2.811 1.00 0.21 C ATOM 614 CG2 VAL A 43 84.294 -10.257 -3.610 1.00 0.22 C ATOM 0 H VAL A 43 82.771 -10.434 -0.768 1.00 0.12 H new ATOM 0 HA VAL A 43 83.573 -12.679 -2.604 1.00 0.14 H new ATOM 0 HB VAL A 43 85.138 -10.244 -1.623 1.00 0.16 H new ATOM 0 HG11 VAL A 43 86.871 -11.055 -3.207 1.00 0.21 H new ATOM 0 HG12 VAL A 43 86.545 -12.268 -1.947 1.00 0.21 H new ATOM 0 HG13 VAL A 43 85.867 -12.476 -3.579 1.00 0.21 H new ATOM 0 HG21 VAL A 43 85.030 -9.558 -4.008 1.00 0.22 H new ATOM 0 HG22 VAL A 43 84.039 -10.990 -4.375 1.00 0.22 H new ATOM 0 HG23 VAL A 43 83.397 -9.711 -3.317 1.00 0.22 H new ATOM 624 N ASP A 44 84.202 -13.980 -0.591 1.00 0.13 N ATOM 625 CA ASP A 44 84.744 -14.848 0.496 1.00 0.14 C ATOM 626 C ASP A 44 84.611 -14.206 1.884 1.00 0.13 C ATOM 627 O ASP A 44 85.496 -14.350 2.706 1.00 0.14 O ATOM 628 CB ASP A 44 86.217 -15.155 0.210 1.00 0.16 C ATOM 629 CG ASP A 44 86.686 -16.300 1.113 1.00 0.17 C ATOM 630 OD1 ASP A 44 85.973 -16.618 2.052 1.00 0.16 O ATOM 631 OD2 ASP A 44 87.751 -16.837 0.851 1.00 0.23 O ATOM 0 H ASP A 44 83.645 -14.478 -1.285 1.00 0.13 H new ATOM 0 HA ASP A 44 84.156 -15.766 0.508 1.00 0.14 H new ATOM 0 HB2 ASP A 44 86.346 -15.428 -0.837 1.00 0.16 H new ATOM 0 HB3 ASP A 44 86.825 -14.267 0.385 1.00 0.16 H new ATOM 636 N GLY A 45 83.507 -13.549 2.186 1.00 0.14 N ATOM 637 CA GLY A 45 83.334 -12.963 3.565 1.00 0.16 C ATOM 638 C GLY A 45 83.104 -11.444 3.574 1.00 0.14 C ATOM 639 O GLY A 45 82.555 -10.932 4.529 1.00 0.13 O ATOM 0 H GLY A 45 82.727 -13.394 1.547 1.00 0.14 H new ATOM 0 HA2 GLY A 45 82.490 -13.451 4.053 1.00 0.16 H new ATOM 0 HA3 GLY A 45 84.220 -13.190 4.159 1.00 0.16 H new ATOM 643 N SER A 46 83.551 -10.695 2.587 1.00 0.14 N ATOM 644 CA SER A 46 83.390 -9.197 2.643 1.00 0.14 C ATOM 645 C SER A 46 82.591 -8.640 1.466 1.00 0.13 C ATOM 646 O SER A 46 82.728 -9.064 0.336 1.00 0.15 O ATOM 647 CB SER A 46 84.780 -8.560 2.626 1.00 0.16 C ATOM 648 OG SER A 46 84.653 -7.155 2.448 1.00 1.34 O ATOM 0 H SER A 46 84.016 -11.050 1.752 1.00 0.14 H new ATOM 0 HA SER A 46 82.841 -8.960 3.555 1.00 0.14 H new ATOM 0 HB2 SER A 46 85.302 -8.774 3.559 1.00 0.16 H new ATOM 0 HB3 SER A 46 85.378 -8.987 1.821 1.00 0.16 H new ATOM 0 HG SER A 46 85.399 -6.700 2.892 1.00 1.34 H new ATOM 654 N LEU A 47 81.795 -7.635 1.735 1.00 0.12 N ATOM 655 CA LEU A 47 81.007 -6.965 0.665 1.00 0.12 C ATOM 656 C LEU A 47 81.954 -6.096 -0.166 1.00 0.13 C ATOM 657 O LEU A 47 82.723 -5.321 0.368 1.00 0.15 O ATOM 658 CB LEU A 47 79.944 -6.064 1.308 1.00 0.14 C ATOM 659 CG LEU A 47 79.030 -6.897 2.213 1.00 0.15 C ATOM 660 CD1 LEU A 47 78.014 -5.970 2.891 1.00 0.25 C ATOM 661 CD2 LEU A 47 78.290 -7.959 1.375 1.00 0.25 C ATOM 0 H LEU A 47 81.659 -7.247 2.668 1.00 0.12 H new ATOM 0 HA LEU A 47 80.524 -7.712 0.035 1.00 0.12 H new ATOM 0 HB2 LEU A 47 80.425 -5.277 1.889 1.00 0.14 H new ATOM 0 HB3 LEU A 47 79.354 -5.574 0.534 1.00 0.14 H new ATOM 0 HG LEU A 47 79.629 -7.401 2.972 1.00 0.15 H new ATOM 0 HD11 LEU A 47 77.360 -6.557 3.537 1.00 0.25 H new ATOM 0 HD12 LEU A 47 78.542 -5.227 3.488 1.00 0.25 H new ATOM 0 HD13 LEU A 47 77.417 -5.467 2.131 1.00 0.25 H new ATOM 0 HD21 LEU A 47 77.642 -8.548 2.024 1.00 0.25 H new ATOM 0 HD22 LEU A 47 77.688 -7.466 0.612 1.00 0.25 H new ATOM 0 HD23 LEU A 47 79.016 -8.615 0.896 1.00 0.25 H new ATOM 673 N LYS A 48 81.905 -6.226 -1.474 1.00 0.13 N ATOM 674 CA LYS A 48 82.805 -5.415 -2.363 1.00 0.16 C ATOM 675 C LYS A 48 81.953 -4.602 -3.337 1.00 0.15 C ATOM 676 O LYS A 48 80.813 -4.918 -3.591 1.00 0.14 O ATOM 677 CB LYS A 48 83.728 -6.347 -3.163 1.00 0.21 C ATOM 678 CG LYS A 48 84.593 -7.198 -2.219 1.00 0.28 C ATOM 679 CD LYS A 48 85.435 -6.293 -1.307 1.00 0.87 C ATOM 680 CE LYS A 48 86.613 -7.083 -0.734 1.00 1.19 C ATOM 681 NZ LYS A 48 87.177 -6.344 0.430 1.00 1.84 N ATOM 0 H LYS A 48 81.277 -6.862 -1.966 1.00 0.13 H new ATOM 0 HA LYS A 48 83.409 -4.748 -1.748 1.00 0.16 H new ATOM 0 HB2 LYS A 48 83.131 -6.997 -3.802 1.00 0.21 H new ATOM 0 HB3 LYS A 48 84.369 -5.757 -3.818 1.00 0.21 H new ATOM 0 HG2 LYS A 48 83.956 -7.844 -1.614 1.00 0.28 H new ATOM 0 HG3 LYS A 48 85.246 -7.849 -2.801 1.00 0.28 H new ATOM 0 HD2 LYS A 48 85.801 -5.434 -1.870 1.00 0.87 H new ATOM 0 HD3 LYS A 48 84.818 -5.904 -0.497 1.00 0.87 H new ATOM 0 HE2 LYS A 48 86.285 -8.076 -0.426 1.00 1.19 H new ATOM 0 HE3 LYS A 48 87.379 -7.223 -1.497 1.00 1.19 H new ATOM 0 HZ1 LYS A 48 88.114 -6.729 0.665 1.00 1.84 H new ATOM 0 HZ2 LYS A 48 87.267 -5.336 0.191 1.00 1.84 H new ATOM 0 HZ3 LYS A 48 86.544 -6.450 1.248 1.00 1.84 H new ATOM 695 N TRP A 49 82.507 -3.555 -3.886 1.00 0.14 N ATOM 696 CA TRP A 49 81.730 -2.700 -4.838 1.00 0.13 C ATOM 697 C TRP A 49 81.599 -3.390 -6.206 1.00 0.13 C ATOM 698 O TRP A 49 82.350 -3.107 -7.118 1.00 0.13 O ATOM 699 CB TRP A 49 82.466 -1.359 -5.019 1.00 0.13 C ATOM 700 CG TRP A 49 82.170 -0.466 -3.856 1.00 0.13 C ATOM 701 CD1 TRP A 49 83.066 -0.073 -2.922 1.00 0.14 C ATOM 702 CD2 TRP A 49 80.899 0.133 -3.484 1.00 0.15 C ATOM 703 NE1 TRP A 49 82.423 0.735 -2.001 1.00 0.14 N ATOM 704 CE2 TRP A 49 81.087 0.894 -2.308 1.00 0.15 C ATOM 705 CE3 TRP A 49 79.613 0.093 -4.053 1.00 0.18 C ATOM 706 CZ2 TRP A 49 80.037 1.591 -1.716 1.00 0.17 C ATOM 707 CZ3 TRP A 49 78.550 0.794 -3.459 1.00 0.21 C ATOM 708 CH2 TRP A 49 78.763 1.545 -2.295 1.00 0.20 C ATOM 0 H TRP A 49 83.466 -3.252 -3.718 1.00 0.14 H new ATOM 0 HA TRP A 49 80.732 -2.537 -4.432 1.00 0.13 H new ATOM 0 HB2 TRP A 49 83.540 -1.529 -5.096 1.00 0.13 H new ATOM 0 HB3 TRP A 49 82.151 -0.882 -5.947 1.00 0.13 H new ATOM 0 HD1 TRP A 49 84.111 -0.345 -2.899 1.00 0.14 H new ATOM 0 HE1 TRP A 49 82.880 1.161 -1.195 1.00 0.14 H new ATOM 0 HE3 TRP A 49 79.442 -0.480 -4.952 1.00 0.18 H new ATOM 0 HZ2 TRP A 49 80.204 2.164 -0.816 1.00 0.17 H new ATOM 0 HZ3 TRP A 49 77.565 0.754 -3.901 1.00 0.21 H new ATOM 0 HH2 TRP A 49 77.945 2.088 -1.845 1.00 0.20 H new ATOM 719 N GLN A 50 80.663 -4.295 -6.357 1.00 0.12 N ATOM 720 CA GLN A 50 80.503 -4.998 -7.669 1.00 0.13 C ATOM 721 C GLN A 50 79.160 -5.768 -7.651 1.00 0.12 C ATOM 722 O GLN A 50 78.796 -6.322 -6.642 1.00 0.13 O ATOM 723 CB GLN A 50 81.686 -5.970 -7.825 1.00 0.16 C ATOM 724 CG GLN A 50 81.673 -6.646 -9.194 1.00 0.26 C ATOM 725 CD GLN A 50 82.772 -7.708 -9.233 1.00 1.10 C ATOM 726 OE1 GLN A 50 83.488 -7.927 -8.164 1.00 1.88 O flip ATOM 727 NE2 GLN A 50 82.987 -8.339 -10.248 1.00 1.92 N flip ATOM 0 H GLN A 50 80.004 -4.577 -5.631 1.00 0.12 H new ATOM 0 HA GLN A 50 80.494 -4.298 -8.504 1.00 0.13 H new ATOM 0 HB2 GLN A 50 82.623 -5.429 -7.693 1.00 0.16 H new ATOM 0 HB3 GLN A 50 81.642 -6.728 -7.043 1.00 0.16 H new ATOM 0 HG2 GLN A 50 80.701 -7.103 -9.379 1.00 0.26 H new ATOM 0 HG3 GLN A 50 81.834 -5.908 -9.980 1.00 0.26 H new ATOM 0 HE21 GLN A 50 82.427 -8.168 -11.083 1.00 1.92 H new ATOM 0 HE22 GLN A 50 83.727 -9.040 -10.265 1.00 1.92 H new ATOM 736 N PRO A 51 78.409 -5.805 -8.742 1.00 0.11 N ATOM 737 CA PRO A 51 77.092 -6.538 -8.775 1.00 0.11 C ATOM 738 C PRO A 51 77.246 -8.057 -8.573 1.00 0.12 C ATOM 739 O PRO A 51 78.255 -8.635 -8.916 1.00 0.14 O ATOM 740 CB PRO A 51 76.531 -6.242 -10.182 1.00 0.13 C ATOM 741 CG PRO A 51 77.718 -5.846 -11.001 1.00 0.15 C ATOM 742 CD PRO A 51 78.689 -5.158 -10.042 1.00 0.14 C ATOM 0 HA PRO A 51 76.441 -6.209 -7.965 1.00 0.11 H new ATOM 0 HB2 PRO A 51 76.037 -7.119 -10.602 1.00 0.13 H new ATOM 0 HB3 PRO A 51 75.790 -5.443 -10.151 1.00 0.13 H new ATOM 0 HG2 PRO A 51 78.180 -6.718 -11.463 1.00 0.15 H new ATOM 0 HG3 PRO A 51 77.427 -5.174 -11.808 1.00 0.15 H new ATOM 0 HD2 PRO A 51 79.725 -5.303 -10.348 1.00 0.14 H new ATOM 0 HD3 PRO A 51 78.517 -4.082 -10.000 1.00 0.14 H new ATOM 750 N SER A 52 76.233 -8.697 -8.030 1.00 0.11 N ATOM 751 CA SER A 52 76.292 -10.178 -7.815 1.00 0.12 C ATOM 752 C SER A 52 75.163 -10.613 -6.865 1.00 0.15 C ATOM 753 O SER A 52 75.174 -11.709 -6.343 1.00 0.32 O ATOM 754 CB SER A 52 77.648 -10.566 -7.214 1.00 0.12 C ATOM 755 OG SER A 52 78.561 -10.856 -8.266 1.00 0.29 O ATOM 0 H SER A 52 75.366 -8.253 -7.726 1.00 0.11 H new ATOM 0 HA SER A 52 76.169 -10.680 -8.775 1.00 0.12 H new ATOM 0 HB2 SER A 52 78.032 -9.753 -6.597 1.00 0.12 H new ATOM 0 HB3 SER A 52 77.536 -11.434 -6.564 1.00 0.12 H new ATOM 0 HG SER A 52 78.888 -10.018 -8.655 1.00 0.29 H new ATOM 761 N ASN A 53 74.193 -9.771 -6.642 1.00 0.16 N ATOM 762 CA ASN A 53 73.074 -10.155 -5.734 1.00 0.16 C ATOM 763 C ASN A 53 73.636 -10.594 -4.378 1.00 0.10 C ATOM 764 O ASN A 53 73.450 -11.714 -3.948 1.00 0.12 O ATOM 765 CB ASN A 53 72.283 -11.301 -6.371 1.00 0.23 C ATOM 766 CG ASN A 53 70.925 -11.440 -5.676 1.00 0.28 C ATOM 767 OD1 ASN A 53 70.616 -10.699 -4.764 1.00 0.27 O ATOM 768 ND2 ASN A 53 70.098 -12.369 -6.070 1.00 0.48 N ATOM 0 H ASN A 53 74.126 -8.837 -7.047 1.00 0.16 H new ATOM 0 HA ASN A 53 72.414 -9.301 -5.580 1.00 0.16 H new ATOM 0 HB2 ASN A 53 72.140 -11.110 -7.435 1.00 0.23 H new ATOM 0 HB3 ASN A 53 72.842 -12.233 -6.287 1.00 0.23 H new ATOM 0 HD21 ASN A 53 69.192 -12.473 -5.612 1.00 0.48 H new ATOM 0 HD22 ASN A 53 70.357 -12.991 -6.836 1.00 0.48 H new ATOM 775 N PHE A 54 74.337 -9.719 -3.709 1.00 0.09 N ATOM 776 CA PHE A 54 74.934 -10.081 -2.387 1.00 0.09 C ATOM 777 C PHE A 54 73.842 -10.481 -1.384 1.00 0.09 C ATOM 778 O PHE A 54 74.004 -11.402 -0.605 1.00 0.14 O ATOM 779 CB PHE A 54 75.734 -8.886 -1.840 1.00 0.11 C ATOM 780 CG PHE A 54 74.808 -7.858 -1.219 1.00 0.10 C ATOM 781 CD1 PHE A 54 74.174 -6.899 -2.020 1.00 0.12 C ATOM 782 CD2 PHE A 54 74.592 -7.867 0.166 1.00 0.11 C ATOM 783 CE1 PHE A 54 73.322 -5.949 -1.435 1.00 0.13 C ATOM 784 CE2 PHE A 54 73.741 -6.920 0.750 1.00 0.12 C ATOM 785 CZ PHE A 54 73.106 -5.960 -0.050 1.00 0.12 C ATOM 0 H PHE A 54 74.524 -8.766 -4.020 1.00 0.09 H new ATOM 0 HA PHE A 54 75.598 -10.934 -2.527 1.00 0.09 H new ATOM 0 HB2 PHE A 54 76.451 -9.233 -1.096 1.00 0.11 H new ATOM 0 HB3 PHE A 54 76.307 -8.427 -2.645 1.00 0.11 H new ATOM 0 HD1 PHE A 54 74.341 -6.891 -3.087 1.00 0.12 H new ATOM 0 HD2 PHE A 54 75.082 -8.605 0.784 1.00 0.11 H new ATOM 0 HE1 PHE A 54 72.833 -5.210 -2.052 1.00 0.13 H new ATOM 0 HE2 PHE A 54 73.574 -6.930 1.817 1.00 0.12 H new ATOM 0 HZ PHE A 54 72.451 -5.229 0.400 1.00 0.12 H new ATOM 795 N ILE A 55 72.743 -9.782 -1.382 1.00 11.77 N ATOM 796 CA ILE A 55 71.659 -10.107 -0.415 1.00 13.68 C ATOM 797 C ILE A 55 71.265 -11.580 -0.554 1.00 0.11 C ATOM 798 O ILE A 55 70.691 -12.165 0.342 1.00 0.12 O ATOM 799 CB ILE A 55 70.465 -9.168 -0.655 1.00 15.58 C ATOM 800 CG1 ILE A 55 69.264 -9.593 0.201 1.00 16.46 C ATOM 801 CG2 ILE A 55 70.061 -9.136 -2.129 1.00 20.33 C ATOM 802 CD1 ILE A 55 69.656 -9.597 1.681 1.00 19.63 C ATOM 0 H ILE A 55 72.548 -9.000 -2.007 1.00 11.77 H new ATOM 0 HA ILE A 55 72.007 -9.955 0.607 1.00 13.68 H new ATOM 0 HB ILE A 55 70.778 -8.165 -0.365 1.00 15.58 H new ATOM 0 HG12 ILE A 55 68.430 -8.910 0.038 1.00 16.46 H new ATOM 0 HG13 ILE A 55 68.926 -10.585 -0.098 1.00 16.46 H new ATOM 0 HG21 ILE A 55 69.214 -8.462 -2.260 1.00 20.33 H new ATOM 0 HG22 ILE A 55 70.901 -8.785 -2.729 1.00 20.33 H new ATOM 0 HG23 ILE A 55 69.780 -10.139 -2.451 1.00 20.33 H new ATOM 0 HD11 ILE A 55 68.799 -9.899 2.283 1.00 19.63 H new ATOM 0 HD12 ILE A 55 70.476 -10.298 1.838 1.00 19.63 H new ATOM 0 HD13 ILE A 55 69.972 -8.597 1.976 1.00 19.63 H new ATOM 814 N GLU A 56 71.586 -12.191 -1.657 1.00 0.13 N ATOM 815 CA GLU A 56 71.243 -13.631 -1.826 1.00 0.15 C ATOM 816 C GLU A 56 72.030 -14.456 -0.800 1.00 0.13 C ATOM 817 O GLU A 56 71.563 -15.480 -0.341 1.00 0.14 O ATOM 818 CB GLU A 56 71.602 -14.090 -3.241 1.00 0.19 C ATOM 819 CG GLU A 56 71.067 -15.505 -3.474 1.00 0.23 C ATOM 820 CD GLU A 56 71.359 -15.926 -4.916 1.00 1.10 C ATOM 821 OE1 GLU A 56 71.769 -15.075 -5.689 1.00 1.62 O ATOM 822 OE2 GLU A 56 71.168 -17.093 -5.223 1.00 1.40 O ATOM 0 H GLU A 56 72.068 -11.760 -2.446 1.00 0.13 H new ATOM 0 HA GLU A 56 70.173 -13.772 -1.670 1.00 0.15 H new ATOM 0 HB2 GLU A 56 71.178 -13.405 -3.975 1.00 0.19 H new ATOM 0 HB3 GLU A 56 72.683 -14.073 -3.376 1.00 0.19 H new ATOM 0 HG2 GLU A 56 71.534 -16.202 -2.778 1.00 0.23 H new ATOM 0 HG3 GLU A 56 69.994 -15.536 -3.284 1.00 0.23 H new ATOM 829 N THR A 57 73.224 -14.027 -0.449 1.00 0.12 N ATOM 830 CA THR A 57 74.045 -14.812 0.545 1.00 0.11 C ATOM 831 C THR A 57 74.311 -13.980 1.803 1.00 0.11 C ATOM 832 O THR A 57 75.195 -14.291 2.577 1.00 0.11 O ATOM 833 CB THR A 57 75.383 -15.219 -0.082 1.00 0.13 C ATOM 834 OG1 THR A 57 76.139 -14.053 -0.384 1.00 0.14 O ATOM 835 CG2 THR A 57 75.130 -16.009 -1.368 1.00 0.18 C ATOM 0 H THR A 57 73.664 -13.177 -0.801 1.00 0.12 H new ATOM 0 HA THR A 57 73.483 -15.704 0.820 1.00 0.11 H new ATOM 0 HB THR A 57 75.937 -15.841 0.621 1.00 0.13 H new ATOM 0 HG1 THR A 57 76.823 -14.270 -1.051 1.00 0.14 H new ATOM 0 HG21 THR A 57 76.083 -16.297 -1.812 1.00 0.18 H new ATOM 0 HG22 THR A 57 74.552 -16.904 -1.138 1.00 0.18 H new ATOM 0 HG23 THR A 57 74.575 -15.390 -2.072 1.00 0.18 H new ATOM 843 N CYS A 58 73.554 -12.936 2.032 1.00 0.10 N ATOM 844 CA CYS A 58 73.765 -12.098 3.257 1.00 0.11 C ATOM 845 C CYS A 58 72.417 -11.836 3.932 1.00 0.10 C ATOM 846 O CYS A 58 71.379 -11.904 3.309 1.00 0.10 O ATOM 847 CB CYS A 58 74.425 -10.772 2.866 1.00 0.11 C ATOM 848 SG CYS A 58 76.050 -11.109 2.137 1.00 0.12 S ATOM 0 H CYS A 58 72.797 -12.626 1.423 1.00 0.10 H new ATOM 0 HA CYS A 58 74.417 -12.625 3.953 1.00 0.11 H new ATOM 0 HB2 CYS A 58 73.798 -10.236 2.154 1.00 0.11 H new ATOM 0 HB3 CYS A 58 74.531 -10.132 3.742 1.00 0.11 H new ATOM 853 N ARG A 59 72.426 -11.588 5.218 1.00 0.11 N ATOM 854 CA ARG A 59 71.143 -11.363 5.954 1.00 0.11 C ATOM 855 C ARG A 59 71.312 -10.254 7.000 1.00 0.12 C ATOM 856 O ARG A 59 72.391 -9.733 7.206 1.00 0.12 O ATOM 857 CB ARG A 59 70.736 -12.660 6.664 1.00 0.12 C ATOM 858 CG ARG A 59 71.823 -13.070 7.659 1.00 0.15 C ATOM 859 CD ARG A 59 71.517 -14.472 8.195 1.00 0.17 C ATOM 860 NE ARG A 59 72.520 -14.837 9.236 1.00 0.25 N ATOM 861 CZ ARG A 59 72.302 -15.853 10.026 1.00 0.30 C ATOM 862 NH1 ARG A 59 71.215 -16.563 9.893 1.00 0.31 N ATOM 863 NH2 ARG A 59 73.171 -16.161 10.949 1.00 0.39 N ATOM 0 H ARG A 59 73.268 -11.531 5.791 1.00 0.11 H new ATOM 0 HA ARG A 59 70.375 -11.064 5.240 1.00 0.11 H new ATOM 0 HB2 ARG A 59 69.789 -12.519 7.184 1.00 0.12 H new ATOM 0 HB3 ARG A 59 70.582 -13.453 5.932 1.00 0.12 H new ATOM 0 HG2 ARG A 59 72.799 -13.059 7.174 1.00 0.15 H new ATOM 0 HG3 ARG A 59 71.868 -12.356 8.481 1.00 0.15 H new ATOM 0 HD2 ARG A 59 70.512 -14.500 8.617 1.00 0.17 H new ATOM 0 HD3 ARG A 59 71.541 -15.197 7.382 1.00 0.17 H new ATOM 0 HE ARG A 59 73.377 -14.292 9.331 1.00 0.25 H new ATOM 0 HH11 ARG A 59 70.535 -16.324 9.171 1.00 0.31 H new ATOM 0 HH12 ARG A 59 71.046 -17.357 10.511 1.00 0.31 H new ATOM 0 HH21 ARG A 59 74.021 -15.608 11.054 1.00 0.39 H new ATOM 0 HH22 ARG A 59 73.000 -16.955 11.566 1.00 0.39 H new ATOM 877 N ASN A 60 70.248 -9.924 7.683 1.00 0.12 N ATOM 878 CA ASN A 60 70.309 -8.879 8.753 1.00 0.13 C ATOM 879 C ASN A 60 71.004 -7.604 8.252 1.00 0.12 C ATOM 880 O ASN A 60 71.870 -7.065 8.912 1.00 0.13 O ATOM 881 CB ASN A 60 71.061 -9.433 9.969 1.00 0.13 C ATOM 882 CG ASN A 60 70.909 -8.482 11.157 1.00 0.18 C ATOM 883 OD1 ASN A 60 70.051 -7.621 11.159 1.00 1.08 O ATOM 884 ND2 ASN A 60 71.715 -8.603 12.179 1.00 1.14 N ATOM 0 H ASN A 60 69.326 -10.338 7.545 1.00 0.12 H new ATOM 0 HA ASN A 60 69.288 -8.619 9.034 1.00 0.13 H new ATOM 0 HB2 ASN A 60 70.673 -10.418 10.229 1.00 0.13 H new ATOM 0 HB3 ASN A 60 72.116 -9.560 9.727 1.00 0.13 H new ATOM 0 HD21 ASN A 60 71.624 -7.975 12.978 1.00 1.14 H new ATOM 0 HD22 ASN A 60 72.435 -9.325 12.178 1.00 1.14 H new ATOM 891 N THR A 61 70.608 -7.088 7.116 1.00 0.12 N ATOM 892 CA THR A 61 71.233 -5.820 6.635 1.00 0.12 C ATOM 893 C THR A 61 70.626 -4.658 7.427 1.00 0.11 C ATOM 894 O THR A 61 69.422 -4.551 7.549 1.00 0.11 O ATOM 895 CB THR A 61 70.934 -5.600 5.152 1.00 0.14 C ATOM 896 OG1 THR A 61 69.531 -5.635 4.943 1.00 0.22 O ATOM 897 CG2 THR A 61 71.605 -6.675 4.295 1.00 0.24 C ATOM 0 H THR A 61 69.890 -7.483 6.509 1.00 0.12 H new ATOM 0 HA THR A 61 72.312 -5.877 6.775 1.00 0.12 H new ATOM 0 HB THR A 61 71.330 -4.628 4.859 1.00 0.14 H new ATOM 0 HG1 THR A 61 69.329 -5.344 4.029 1.00 0.22 H new ATOM 0 HG21 THR A 61 71.377 -6.497 3.244 1.00 0.24 H new ATOM 0 HG22 THR A 61 72.684 -6.638 4.444 1.00 0.24 H new ATOM 0 HG23 THR A 61 71.232 -7.657 4.586 1.00 0.24 H new ATOM 905 N GLN A 62 71.435 -3.778 7.960 1.00 9.83 N ATOM 906 CA GLN A 62 70.876 -2.627 8.738 1.00 11.89 C ATOM 907 C GLN A 62 71.768 -1.401 8.558 1.00 11.16 C ATOM 908 O GLN A 62 72.884 -1.493 8.088 1.00 9.58 O ATOM 909 CB GLN A 62 70.825 -2.983 10.228 1.00 13.81 C ATOM 910 CG GLN A 62 69.752 -4.046 10.474 1.00 19.41 C ATOM 911 CD GLN A 62 69.689 -4.375 11.969 1.00 22.33 C ATOM 912 OE1 GLN A 62 68.754 -3.999 12.645 1.00 28.20 O ATOM 913 NE2 GLN A 62 70.652 -5.067 12.516 1.00 24.17 N ATOM 0 H GLN A 62 72.452 -3.804 7.892 1.00 9.83 H new ATOM 0 HA GLN A 62 69.871 -2.412 8.374 1.00 11.89 H new ATOM 0 HB2 GLN A 62 71.797 -3.352 10.556 1.00 13.81 H new ATOM 0 HB3 GLN A 62 70.608 -2.092 10.816 1.00 13.81 H new ATOM 0 HG2 GLN A 62 68.783 -3.686 10.129 1.00 19.41 H new ATOM 0 HG3 GLN A 62 69.979 -4.946 9.902 1.00 19.41 H new ATOM 0 HE21 GLN A 62 71.438 -5.384 11.949 1.00 24.17 H new ATOM 0 HE22 GLN A 62 70.618 -5.291 13.511 1.00 24.17 H new ATOM 922 N LEU A 63 71.282 -0.250 8.936 1.00 0.12 N ATOM 923 CA LEU A 63 72.095 0.992 8.802 1.00 0.13 C ATOM 924 C LEU A 63 72.986 1.134 10.035 1.00 0.13 C ATOM 925 O LEU A 63 72.520 1.102 11.157 1.00 0.14 O ATOM 926 CB LEU A 63 71.148 2.198 8.682 1.00 0.15 C ATOM 927 CG LEU A 63 71.931 3.518 8.558 1.00 0.18 C ATOM 928 CD1 LEU A 63 72.629 3.603 7.198 1.00 0.18 C ATOM 929 CD2 LEU A 63 70.952 4.687 8.690 1.00 0.21 C ATOM 0 H LEU A 63 70.352 -0.116 9.334 1.00 0.12 H new ATOM 0 HA LEU A 63 72.723 0.944 7.912 1.00 0.13 H new ATOM 0 HB2 LEU A 63 70.505 2.072 7.811 1.00 0.15 H new ATOM 0 HB3 LEU A 63 70.498 2.240 9.556 1.00 0.15 H new ATOM 0 HG LEU A 63 72.685 3.559 9.344 1.00 0.18 H new ATOM 0 HD11 LEU A 63 73.177 4.543 7.129 1.00 0.18 H new ATOM 0 HD12 LEU A 63 73.323 2.769 7.092 1.00 0.18 H new ATOM 0 HD13 LEU A 63 71.884 3.558 6.403 1.00 0.18 H new ATOM 0 HD21 LEU A 63 71.495 5.628 8.604 1.00 0.21 H new ATOM 0 HD22 LEU A 63 70.204 4.626 7.900 1.00 0.21 H new ATOM 0 HD23 LEU A 63 70.459 4.641 9.661 1.00 0.21 H new ATOM 941 N ALA A 64 74.270 1.291 9.827 1.00 0.12 N ATOM 942 CA ALA A 64 75.224 1.437 10.972 1.00 0.14 C ATOM 943 C ALA A 64 75.922 2.794 10.879 1.00 0.14 C ATOM 944 O ALA A 64 76.459 3.161 9.852 1.00 0.15 O ATOM 945 CB ALA A 64 76.281 0.334 10.890 1.00 0.14 C ATOM 0 H ALA A 64 74.703 1.325 8.904 1.00 0.12 H new ATOM 0 HA ALA A 64 74.678 1.363 11.912 1.00 0.14 H new ATOM 0 HB1 ALA A 64 76.978 0.436 11.722 1.00 0.14 H new ATOM 0 HB2 ALA A 64 75.795 -0.640 10.941 1.00 0.14 H new ATOM 0 HB3 ALA A 64 76.824 0.420 9.949 1.00 0.14 H new ATOM 951 N GLY A 65 75.929 3.539 11.949 1.00 0.16 N ATOM 952 CA GLY A 65 76.613 4.866 11.939 1.00 0.17 C ATOM 953 C GLY A 65 75.896 5.840 11.001 1.00 0.17 C ATOM 954 O GLY A 65 74.710 5.736 10.759 1.00 0.17 O ATOM 0 H GLY A 65 75.489 3.287 12.834 1.00 0.16 H new ATOM 0 HA2 GLY A 65 76.635 5.276 12.949 1.00 0.17 H new ATOM 0 HA3 GLY A 65 77.649 4.744 11.621 1.00 0.17 H new ATOM 958 N SER A 66 76.619 6.797 10.485 1.00 0.18 N ATOM 959 CA SER A 66 76.014 7.810 9.572 1.00 0.18 C ATOM 960 C SER A 66 76.039 7.326 8.118 1.00 0.17 C ATOM 961 O SER A 66 75.107 7.558 7.373 1.00 0.16 O ATOM 962 CB SER A 66 76.821 9.104 9.671 1.00 0.21 C ATOM 963 OG SER A 66 78.201 8.805 9.510 1.00 1.19 O ATOM 0 H SER A 66 77.616 6.922 10.660 1.00 0.18 H new ATOM 0 HA SER A 66 74.978 7.972 9.869 1.00 0.18 H new ATOM 0 HB2 SER A 66 76.497 9.809 8.905 1.00 0.21 H new ATOM 0 HB3 SER A 66 76.650 9.581 10.636 1.00 0.21 H new ATOM 0 HG SER A 66 78.724 9.632 9.571 1.00 1.19 H new ATOM 969 N SER A 67 77.108 6.691 7.695 1.00 0.17 N ATOM 970 CA SER A 67 77.200 6.238 6.265 1.00 0.17 C ATOM 971 C SER A 67 77.667 4.784 6.149 1.00 0.16 C ATOM 972 O SER A 67 77.955 4.319 5.065 1.00 0.17 O ATOM 973 CB SER A 67 78.222 7.122 5.547 1.00 0.19 C ATOM 974 OG SER A 67 79.515 6.873 6.080 1.00 0.20 O ATOM 0 H SER A 67 77.918 6.467 8.273 1.00 0.17 H new ATOM 0 HA SER A 67 76.207 6.315 5.822 1.00 0.17 H new ATOM 0 HB2 SER A 67 78.211 6.915 4.477 1.00 0.19 H new ATOM 0 HB3 SER A 67 77.961 8.173 5.671 1.00 0.19 H new ATOM 0 HG SER A 67 80.195 7.174 5.442 1.00 0.20 H new ATOM 980 N GLU A 68 77.781 4.061 7.237 1.00 0.15 N ATOM 981 CA GLU A 68 78.272 2.648 7.142 1.00 0.15 C ATOM 982 C GLU A 68 77.110 1.655 7.122 1.00 0.13 C ATOM 983 O GLU A 68 76.144 1.785 7.846 1.00 0.13 O ATOM 984 CB GLU A 68 79.172 2.343 8.342 1.00 0.16 C ATOM 985 CG GLU A 68 80.489 3.110 8.206 1.00 0.22 C ATOM 986 CD GLU A 68 81.312 2.508 7.065 1.00 1.15 C ATOM 987 OE1 GLU A 68 80.962 1.428 6.617 1.00 1.77 O ATOM 988 OE2 GLU A 68 82.277 3.135 6.658 1.00 1.37 O ATOM 0 H GLU A 68 77.558 4.383 8.179 1.00 0.15 H new ATOM 0 HA GLU A 68 78.830 2.543 6.211 1.00 0.15 H new ATOM 0 HB2 GLU A 68 78.669 2.625 9.267 1.00 0.16 H new ATOM 0 HB3 GLU A 68 79.368 1.272 8.399 1.00 0.16 H new ATOM 0 HG2 GLU A 68 80.290 4.164 8.009 1.00 0.22 H new ATOM 0 HG3 GLU A 68 81.050 3.060 9.139 1.00 0.22 H new ATOM 995 N LEU A 69 77.232 0.641 6.302 1.00 0.13 N ATOM 996 CA LEU A 69 76.182 -0.418 6.206 1.00 0.12 C ATOM 997 C LEU A 69 76.763 -1.708 6.795 1.00 0.13 C ATOM 998 O LEU A 69 77.769 -2.216 6.339 1.00 0.14 O ATOM 999 CB LEU A 69 75.799 -0.596 4.725 1.00 0.14 C ATOM 1000 CG LEU A 69 75.140 -1.960 4.463 1.00 0.14 C ATOM 1001 CD1 LEU A 69 74.006 -2.233 5.473 1.00 0.15 C ATOM 1002 CD2 LEU A 69 74.573 -1.953 3.039 1.00 0.18 C ATOM 0 H LEU A 69 78.031 0.501 5.684 1.00 0.13 H new ATOM 0 HA LEU A 69 75.283 -0.149 6.760 1.00 0.12 H new ATOM 0 HB2 LEU A 69 75.116 0.200 4.429 1.00 0.14 H new ATOM 0 HB3 LEU A 69 76.690 -0.498 4.105 1.00 0.14 H new ATOM 0 HG LEU A 69 75.885 -2.747 4.578 1.00 0.14 H new ATOM 0 HD11 LEU A 69 73.558 -3.204 5.263 1.00 0.15 H new ATOM 0 HD12 LEU A 69 74.412 -2.231 6.485 1.00 0.15 H new ATOM 0 HD13 LEU A 69 73.246 -1.457 5.385 1.00 0.15 H new ATOM 0 HD21 LEU A 69 74.100 -2.913 2.831 1.00 0.18 H new ATOM 0 HD22 LEU A 69 73.835 -1.157 2.945 1.00 0.18 H new ATOM 0 HD23 LEU A 69 75.381 -1.785 2.327 1.00 0.18 H new ATOM 1014 N ALA A 70 76.139 -2.222 7.822 1.00 0.12 N ATOM 1015 CA ALA A 70 76.642 -3.466 8.480 1.00 0.12 C ATOM 1016 C ALA A 70 75.746 -4.637 8.086 1.00 0.12 C ATOM 1017 O ALA A 70 74.541 -4.513 7.982 1.00 0.13 O ATOM 1018 CB ALA A 70 76.604 -3.257 9.995 1.00 0.15 C ATOM 0 H ALA A 70 75.294 -1.830 8.238 1.00 0.12 H new ATOM 0 HA ALA A 70 77.663 -3.683 8.166 1.00 0.12 H new ATOM 0 HB1 ALA A 70 76.968 -4.155 10.495 1.00 0.15 H new ATOM 0 HB2 ALA A 70 77.238 -2.411 10.262 1.00 0.15 H new ATOM 0 HB3 ALA A 70 75.580 -3.056 10.309 1.00 0.15 H new ATOM 1024 N ALA A 71 76.335 -5.775 7.860 1.00 0.12 N ATOM 1025 CA ALA A 71 75.544 -6.971 7.463 1.00 0.13 C ATOM 1026 C ALA A 71 76.327 -8.230 7.827 1.00 0.13 C ATOM 1027 O ALA A 71 77.487 -8.171 8.186 1.00 0.14 O ATOM 1028 CB ALA A 71 75.341 -6.995 5.947 1.00 0.15 C ATOM 0 H ALA A 71 77.340 -5.930 7.934 1.00 0.12 H new ATOM 0 HA ALA A 71 74.583 -6.932 7.975 1.00 0.13 H new ATOM 0 HB1 ALA A 71 74.761 -7.876 5.672 1.00 0.15 H new ATOM 0 HB2 ALA A 71 74.807 -6.097 5.637 1.00 0.15 H new ATOM 0 HB3 ALA A 71 76.311 -7.030 5.451 1.00 0.15 H new ATOM 1034 N GLU A 72 75.704 -9.376 7.693 1.00 0.13 N ATOM 1035 CA GLU A 72 76.391 -10.673 7.977 1.00 0.12 C ATOM 1036 C GLU A 72 76.414 -11.443 6.655 1.00 0.12 C ATOM 1037 O GLU A 72 75.420 -11.485 5.958 1.00 0.11 O ATOM 1038 CB GLU A 72 75.588 -11.447 9.028 1.00 0.14 C ATOM 1039 CG GLU A 72 75.436 -10.578 10.279 1.00 0.18 C ATOM 1040 CD GLU A 72 74.633 -11.336 11.337 1.00 0.20 C ATOM 1041 OE1 GLU A 72 74.087 -12.377 11.006 1.00 0.29 O ATOM 1042 OE2 GLU A 72 74.571 -10.859 12.459 1.00 0.36 O ATOM 0 H GLU A 72 74.733 -9.467 7.394 1.00 0.13 H new ATOM 0 HA GLU A 72 77.401 -10.526 8.361 1.00 0.12 H new ATOM 0 HB2 GLU A 72 74.608 -11.712 8.632 1.00 0.14 H new ATOM 0 HB3 GLU A 72 76.094 -12.380 9.277 1.00 0.14 H new ATOM 0 HG2 GLU A 72 76.418 -10.315 10.673 1.00 0.18 H new ATOM 0 HG3 GLU A 72 74.933 -9.644 10.026 1.00 0.18 H new ATOM 1049 N CYS A 73 77.531 -12.023 6.274 1.00 0.12 N ATOM 1050 CA CYS A 73 77.586 -12.746 4.955 1.00 0.12 C ATOM 1051 C CYS A 73 78.264 -14.111 5.074 1.00 0.12 C ATOM 1052 O CYS A 73 79.137 -14.329 5.892 1.00 0.13 O ATOM 1053 CB CYS A 73 78.360 -11.889 3.951 1.00 0.13 C ATOM 1054 SG CYS A 73 77.369 -10.435 3.515 1.00 0.14 S ATOM 0 H CYS A 73 78.398 -12.029 6.811 1.00 0.12 H new ATOM 0 HA CYS A 73 76.562 -12.912 4.621 1.00 0.12 H new ATOM 0 HB2 CYS A 73 79.313 -11.579 4.379 1.00 0.13 H new ATOM 0 HB3 CYS A 73 78.586 -12.471 3.057 1.00 0.13 H new ATOM 1059 N LYS A 74 77.836 -15.032 4.253 1.00 0.13 N ATOM 1060 CA LYS A 74 78.415 -16.404 4.286 1.00 0.13 C ATOM 1061 C LYS A 74 79.811 -16.438 3.672 1.00 0.13 C ATOM 1062 O LYS A 74 80.059 -15.931 2.596 1.00 0.13 O ATOM 1063 CB LYS A 74 77.519 -17.376 3.504 1.00 0.16 C ATOM 1064 CG LYS A 74 76.218 -17.590 4.272 1.00 0.20 C ATOM 1065 CD LYS A 74 75.377 -18.695 3.610 1.00 0.22 C ATOM 1066 CE LYS A 74 75.897 -20.080 4.023 1.00 0.30 C ATOM 1067 NZ LYS A 74 74.869 -21.113 3.708 1.00 0.38 N ATOM 0 H LYS A 74 77.105 -14.891 3.556 1.00 0.13 H new ATOM 0 HA LYS A 74 78.479 -16.702 5.333 1.00 0.13 H new ATOM 0 HB2 LYS A 74 77.308 -16.976 2.512 1.00 0.16 H new ATOM 0 HB3 LYS A 74 78.032 -18.327 3.362 1.00 0.16 H new ATOM 0 HG2 LYS A 74 76.439 -17.862 5.304 1.00 0.20 H new ATOM 0 HG3 LYS A 74 75.649 -16.661 4.302 1.00 0.20 H new ATOM 0 HD2 LYS A 74 74.332 -18.590 3.901 1.00 0.22 H new ATOM 0 HD3 LYS A 74 75.418 -18.592 2.526 1.00 0.22 H new ATOM 0 HE2 LYS A 74 76.825 -20.303 3.497 1.00 0.30 H new ATOM 0 HE3 LYS A 74 76.124 -20.092 5.089 1.00 0.30 H new ATOM 0 HZ1 LYS A 74 75.328 -21.937 3.270 1.00 0.38 H new ATOM 0 HZ2 LYS A 74 74.393 -21.407 4.584 1.00 0.38 H new ATOM 0 HZ3 LYS A 74 74.169 -20.716 3.050 1.00 0.38 H new ATOM 1081 N THR A 75 80.706 -17.084 4.359 1.00 0.13 N ATOM 1082 CA THR A 75 82.100 -17.235 3.862 1.00 0.14 C ATOM 1083 C THR A 75 82.180 -18.524 3.056 1.00 0.15 C ATOM 1084 O THR A 75 81.238 -19.289 2.987 1.00 0.15 O ATOM 1085 CB THR A 75 83.073 -17.343 5.039 1.00 0.15 C ATOM 1086 OG1 THR A 75 82.894 -18.599 5.680 1.00 0.25 O ATOM 1087 CG2 THR A 75 82.812 -16.223 6.046 1.00 0.23 C ATOM 0 H THR A 75 80.528 -17.523 5.262 1.00 0.13 H new ATOM 0 HA THR A 75 82.364 -16.370 3.254 1.00 0.14 H new ATOM 0 HB THR A 75 84.093 -17.255 4.666 1.00 0.15 H new ATOM 0 HG1 THR A 75 83.516 -18.673 6.433 1.00 0.25 H new ATOM 0 HG21 THR A 75 83.511 -16.312 6.878 1.00 0.23 H new ATOM 0 HG22 THR A 75 82.948 -15.257 5.559 1.00 0.23 H new ATOM 0 HG23 THR A 75 81.791 -16.300 6.420 1.00 0.23 H new ATOM 1095 N ARG A 76 83.300 -18.781 2.456 1.00 0.17 N ATOM 1096 CA ARG A 76 83.434 -20.030 1.671 1.00 0.19 C ATOM 1097 C ARG A 76 83.153 -21.211 2.598 1.00 0.18 C ATOM 1098 O ARG A 76 82.785 -22.279 2.149 1.00 0.19 O ATOM 1099 CB ARG A 76 84.859 -20.155 1.116 1.00 0.22 C ATOM 1100 CG ARG A 76 85.059 -19.176 -0.043 1.00 0.25 C ATOM 1101 CD ARG A 76 86.487 -19.307 -0.587 1.00 0.35 C ATOM 1102 NE ARG A 76 86.713 -20.704 -1.066 1.00 1.36 N ATOM 1103 CZ ARG A 76 87.768 -20.984 -1.783 1.00 1.94 C ATOM 1104 NH1 ARG A 76 88.636 -20.048 -2.057 1.00 2.11 N ATOM 1105 NH2 ARG A 76 87.962 -22.201 -2.219 1.00 2.94 N ATOM 0 H ARG A 76 84.126 -18.183 2.474 1.00 0.17 H new ATOM 0 HA ARG A 76 82.731 -20.018 0.838 1.00 0.19 H new ATOM 0 HB2 ARG A 76 85.584 -19.951 1.904 1.00 0.22 H new ATOM 0 HB3 ARG A 76 85.037 -21.175 0.776 1.00 0.22 H new ATOM 0 HG2 ARG A 76 84.338 -19.381 -0.834 1.00 0.25 H new ATOM 0 HG3 ARG A 76 84.880 -18.155 0.295 1.00 0.25 H new ATOM 0 HD2 ARG A 76 86.642 -18.602 -1.404 1.00 0.35 H new ATOM 0 HD3 ARG A 76 87.208 -19.057 0.191 1.00 0.35 H new ATOM 0 HE ARG A 76 86.044 -21.438 -0.833 1.00 1.36 H new ATOM 0 HH11 ARG A 76 88.490 -19.100 -1.711 1.00 2.11 H new ATOM 0 HH12 ARG A 76 89.461 -20.265 -2.617 1.00 2.11 H new ATOM 0 HH21 ARG A 76 87.288 -22.935 -1.999 1.00 2.94 H new ATOM 0 HH22 ARG A 76 88.787 -22.417 -2.779 1.00 2.94 H new ATOM 1119 N ALA A 77 83.359 -21.051 3.889 1.00 0.17 N ATOM 1120 CA ALA A 77 83.139 -22.205 4.817 1.00 0.17 C ATOM 1121 C ALA A 77 81.676 -22.285 5.278 1.00 0.17 C ATOM 1122 O ALA A 77 81.360 -23.048 6.165 1.00 0.17 O ATOM 1123 CB ALA A 77 84.066 -22.084 6.027 1.00 0.17 C ATOM 0 H ALA A 77 83.665 -20.184 4.331 1.00 0.17 H new ATOM 0 HA ALA A 77 83.368 -23.122 4.275 1.00 0.17 H new ATOM 0 HB1 ALA A 77 83.900 -22.927 6.698 1.00 0.17 H new ATOM 0 HB2 ALA A 77 85.103 -22.085 5.692 1.00 0.17 H new ATOM 0 HB3 ALA A 77 83.856 -21.154 6.555 1.00 0.17 H new ATOM 1129 N GLN A 78 80.785 -21.516 4.692 1.00 0.17 N ATOM 1130 CA GLN A 78 79.330 -21.544 5.075 1.00 0.18 C ATOM 1131 C GLN A 78 79.082 -21.044 6.509 1.00 0.18 C ATOM 1132 O GLN A 78 78.189 -21.525 7.178 1.00 0.20 O ATOM 1133 CB GLN A 78 78.760 -22.961 4.929 1.00 0.20 C ATOM 1134 CG GLN A 78 78.909 -23.425 3.478 1.00 0.31 C ATOM 1135 CD GLN A 78 77.984 -22.609 2.570 1.00 0.59 C ATOM 1136 OE1 GLN A 78 76.796 -22.508 2.819 1.00 1.56 O ATOM 1137 NE2 GLN A 78 78.481 -22.021 1.515 1.00 0.41 N ATOM 0 H GLN A 78 81.009 -20.855 3.948 1.00 0.17 H new ATOM 0 HA GLN A 78 78.821 -20.864 4.392 1.00 0.18 H new ATOM 0 HB2 GLN A 78 79.284 -23.645 5.596 1.00 0.20 H new ATOM 0 HB3 GLN A 78 77.710 -22.974 5.220 1.00 0.20 H new ATOM 0 HG2 GLN A 78 79.944 -23.310 3.155 1.00 0.31 H new ATOM 0 HG3 GLN A 78 78.667 -24.485 3.400 1.00 0.31 H new ATOM 0 HE21 GLN A 78 79.476 -22.105 1.306 1.00 0.41 H new ATOM 0 HE22 GLN A 78 77.874 -21.478 0.901 1.00 0.41 H new ATOM 1146 N GLN A 79 79.839 -20.078 6.982 1.00 0.17 N ATOM 1147 CA GLN A 79 79.617 -19.540 8.374 1.00 0.19 C ATOM 1148 C GLN A 79 79.325 -18.031 8.291 1.00 0.17 C ATOM 1149 O GLN A 79 80.059 -17.292 7.671 1.00 0.21 O ATOM 1150 CB GLN A 79 80.884 -19.774 9.204 1.00 0.22 C ATOM 1151 CG GLN A 79 80.678 -19.240 10.623 1.00 1.18 C ATOM 1152 CD GLN A 79 81.886 -19.614 11.485 1.00 1.51 C ATOM 1153 OE1 GLN A 79 82.724 -20.392 11.072 1.00 1.87 O ATOM 1154 NE2 GLN A 79 82.005 -19.102 12.679 1.00 2.23 N ATOM 0 H GLN A 79 80.601 -19.637 6.467 1.00 0.17 H new ATOM 0 HA GLN A 79 78.773 -20.047 8.842 1.00 0.19 H new ATOM 0 HB2 GLN A 79 81.118 -20.838 9.236 1.00 0.22 H new ATOM 0 HB3 GLN A 79 81.733 -19.275 8.737 1.00 0.22 H new ATOM 0 HG2 GLN A 79 80.553 -18.157 10.602 1.00 1.18 H new ATOM 0 HG3 GLN A 79 79.767 -19.658 11.052 1.00 1.18 H new ATOM 0 HE21 GLN A 79 81.302 -18.449 13.026 1.00 2.23 H new ATOM 0 HE22 GLN A 79 82.801 -19.354 13.265 1.00 2.23 H new ATOM 1163 N PHE A 80 78.257 -17.559 8.904 1.00 0.15 N ATOM 1164 CA PHE A 80 77.943 -16.089 8.819 1.00 0.14 C ATOM 1165 C PHE A 80 78.914 -15.280 9.697 1.00 0.13 C ATOM 1166 O PHE A 80 79.044 -15.538 10.878 1.00 0.14 O ATOM 1167 CB PHE A 80 76.510 -15.809 9.328 1.00 0.16 C ATOM 1168 CG PHE A 80 75.467 -16.124 8.279 1.00 0.19 C ATOM 1169 CD1 PHE A 80 75.258 -15.237 7.216 1.00 0.22 C ATOM 1170 CD2 PHE A 80 74.685 -17.282 8.386 1.00 0.24 C ATOM 1171 CE1 PHE A 80 74.275 -15.509 6.259 1.00 0.28 C ATOM 1172 CE2 PHE A 80 73.697 -17.551 7.429 1.00 0.30 C ATOM 1173 CZ PHE A 80 73.494 -16.664 6.366 1.00 0.31 C ATOM 0 H PHE A 80 77.600 -18.117 9.450 1.00 0.15 H new ATOM 0 HA PHE A 80 78.038 -15.794 7.774 1.00 0.14 H new ATOM 0 HB2 PHE A 80 76.319 -16.405 10.220 1.00 0.16 H new ATOM 0 HB3 PHE A 80 76.427 -14.762 9.620 1.00 0.16 H new ATOM 0 HD1 PHE A 80 75.857 -14.342 7.135 1.00 0.22 H new ATOM 0 HD2 PHE A 80 74.844 -17.967 9.206 1.00 0.24 H new ATOM 0 HE1 PHE A 80 74.119 -14.826 5.437 1.00 0.28 H new ATOM 0 HE2 PHE A 80 73.093 -18.442 7.512 1.00 0.30 H new ATOM 0 HZ PHE A 80 72.734 -16.872 5.628 1.00 0.31 H new ATOM 1183 N VAL A 81 79.569 -14.284 9.133 1.00 0.12 N ATOM 1184 CA VAL A 81 80.512 -13.430 9.942 1.00 0.12 C ATOM 1185 C VAL A 81 80.144 -11.958 9.749 1.00 0.12 C ATOM 1186 O VAL A 81 79.461 -11.599 8.810 1.00 0.12 O ATOM 1187 CB VAL A 81 81.970 -13.693 9.524 1.00 0.14 C ATOM 1188 CG1 VAL A 81 82.156 -15.191 9.290 1.00 0.18 C ATOM 1189 CG2 VAL A 81 82.340 -13.014 8.199 1.00 0.16 C ATOM 0 H VAL A 81 79.492 -14.026 8.149 1.00 0.12 H new ATOM 0 HA VAL A 81 80.420 -13.684 10.998 1.00 0.12 H new ATOM 0 HB VAL A 81 82.597 -13.299 10.324 1.00 0.14 H new ATOM 0 HG11 VAL A 81 83.186 -15.388 8.993 1.00 0.18 H new ATOM 0 HG12 VAL A 81 81.933 -15.733 10.209 1.00 0.18 H new ATOM 0 HG13 VAL A 81 81.481 -15.522 8.501 1.00 0.18 H new ATOM 0 HG21 VAL A 81 83.379 -13.234 7.955 1.00 0.16 H new ATOM 0 HG22 VAL A 81 81.694 -13.389 7.405 1.00 0.16 H new ATOM 0 HG23 VAL A 81 82.210 -11.936 8.294 1.00 0.16 H new ATOM 1199 N SER A 82 80.560 -11.104 10.644 1.00 0.15 N ATOM 1200 CA SER A 82 80.199 -9.661 10.519 1.00 0.15 C ATOM 1201 C SER A 82 80.969 -8.990 9.377 1.00 0.16 C ATOM 1202 O SER A 82 82.178 -9.076 9.292 1.00 0.25 O ATOM 1203 CB SER A 82 80.529 -8.943 11.827 1.00 0.23 C ATOM 1204 OG SER A 82 80.181 -7.571 11.705 1.00 0.26 O ATOM 0 H SER A 82 81.132 -11.341 11.454 1.00 0.15 H new ATOM 0 HA SER A 82 79.133 -9.596 10.303 1.00 0.15 H new ATOM 0 HB2 SER A 82 79.983 -9.397 12.654 1.00 0.23 H new ATOM 0 HB3 SER A 82 81.591 -9.043 12.053 1.00 0.23 H new ATOM 0 HG SER A 82 80.389 -7.105 12.542 1.00 0.26 H new ATOM 1210 N THR A 83 80.268 -8.294 8.515 1.00 0.12 N ATOM 1211 CA THR A 83 80.928 -7.576 7.379 1.00 0.17 C ATOM 1212 C THR A 83 80.418 -6.134 7.339 1.00 0.12 C ATOM 1213 O THR A 83 79.348 -5.826 7.826 1.00 0.11 O ATOM 1214 CB THR A 83 80.615 -8.284 6.053 1.00 0.27 C ATOM 1215 OG1 THR A 83 81.184 -7.544 4.983 1.00 0.31 O ATOM 1216 CG2 THR A 83 79.099 -8.407 5.849 1.00 0.29 C ATOM 0 H THR A 83 79.254 -8.192 8.551 1.00 0.12 H new ATOM 0 HA THR A 83 82.008 -7.578 7.524 1.00 0.17 H new ATOM 0 HB THR A 83 81.041 -9.287 6.078 1.00 0.27 H new ATOM 0 HG1 THR A 83 82.155 -7.486 5.105 1.00 0.31 H new ATOM 0 HG21 THR A 83 78.899 -8.911 4.904 1.00 0.29 H new ATOM 0 HG22 THR A 83 78.667 -8.984 6.667 1.00 0.29 H new ATOM 0 HG23 THR A 83 78.652 -7.413 5.831 1.00 0.29 H new ATOM 1224 N LYS A 84 81.178 -5.246 6.752 1.00 0.12 N ATOM 1225 CA LYS A 84 80.741 -3.824 6.673 1.00 0.14 C ATOM 1226 C LYS A 84 81.350 -3.173 5.430 1.00 0.13 C ATOM 1227 O LYS A 84 82.325 -3.637 4.874 1.00 0.15 O ATOM 1228 CB LYS A 84 81.203 -3.069 7.922 1.00 0.25 C ATOM 1229 CG LYS A 84 82.732 -3.093 8.006 1.00 0.34 C ATOM 1230 CD LYS A 84 83.183 -2.571 9.376 1.00 0.48 C ATOM 1231 CE LYS A 84 82.810 -1.092 9.520 1.00 1.17 C ATOM 1232 NZ LYS A 84 83.570 -0.491 10.652 1.00 1.98 N ATOM 0 H LYS A 84 82.082 -5.446 6.324 1.00 0.12 H new ATOM 0 HA LYS A 84 79.653 -3.785 6.611 1.00 0.14 H new ATOM 0 HB2 LYS A 84 80.848 -2.039 7.888 1.00 0.25 H new ATOM 0 HB3 LYS A 84 80.773 -3.525 8.814 1.00 0.25 H new ATOM 0 HG2 LYS A 84 83.098 -4.108 7.854 1.00 0.34 H new ATOM 0 HG3 LYS A 84 83.159 -2.479 7.213 1.00 0.34 H new ATOM 0 HD2 LYS A 84 82.713 -3.152 10.169 1.00 0.48 H new ATOM 0 HD3 LYS A 84 84.260 -2.696 9.486 1.00 0.48 H new ATOM 0 HE2 LYS A 84 83.033 -0.559 8.596 1.00 1.17 H new ATOM 0 HE3 LYS A 84 81.739 -0.992 9.695 1.00 1.17 H new ATOM 0 HZ1 LYS A 84 83.315 0.513 10.747 1.00 1.98 H new ATOM 0 HZ2 LYS A 84 83.336 -0.993 11.532 1.00 1.98 H new ATOM 0 HZ3 LYS A 84 84.590 -0.573 10.467 1.00 1.98 H new ATOM 1246 N ILE A 85 80.756 -2.098 4.997 1.00 0.13 N ATOM 1247 CA ILE A 85 81.242 -1.381 3.789 1.00 0.13 C ATOM 1248 C ILE A 85 80.917 0.111 3.928 1.00 0.13 C ATOM 1249 O ILE A 85 79.926 0.492 4.518 1.00 0.13 O ATOM 1250 CB ILE A 85 80.548 -1.962 2.553 1.00 0.14 C ATOM 1251 CG1 ILE A 85 81.147 -1.342 1.287 1.00 0.17 C ATOM 1252 CG2 ILE A 85 79.050 -1.665 2.610 1.00 0.16 C ATOM 1253 CD1 ILE A 85 80.641 -2.107 0.061 1.00 0.20 C ATOM 0 H ILE A 85 79.938 -1.679 5.439 1.00 0.13 H new ATOM 0 HA ILE A 85 82.320 -1.502 3.684 1.00 0.13 H new ATOM 0 HB ILE A 85 80.698 -3.041 2.534 1.00 0.14 H new ATOM 0 HG12 ILE A 85 80.867 -0.291 1.215 1.00 0.17 H new ATOM 0 HG13 ILE A 85 82.236 -1.380 1.330 1.00 0.17 H new ATOM 0 HG21 ILE A 85 78.563 -2.081 1.728 1.00 0.16 H new ATOM 0 HG22 ILE A 85 78.624 -2.115 3.506 1.00 0.16 H new ATOM 0 HG23 ILE A 85 78.894 -0.587 2.636 1.00 0.16 H new ATOM 0 HD11 ILE A 85 81.065 -1.668 -0.842 1.00 0.20 H new ATOM 0 HD12 ILE A 85 80.943 -3.152 0.134 1.00 0.20 H new ATOM 0 HD13 ILE A 85 79.554 -2.046 0.017 1.00 0.20 H new ATOM 1265 N ASN A 86 81.754 0.954 3.385 1.00 0.13 N ATOM 1266 CA ASN A 86 81.508 2.427 3.475 1.00 0.14 C ATOM 1267 C ASN A 86 80.681 2.885 2.266 1.00 0.13 C ATOM 1268 O ASN A 86 81.164 2.898 1.155 1.00 0.13 O ATOM 1269 CB ASN A 86 82.852 3.166 3.490 1.00 0.15 C ATOM 1270 CG ASN A 86 82.633 4.619 3.922 1.00 0.17 C ATOM 1271 OD1 ASN A 86 81.525 5.119 3.874 1.00 0.17 O ATOM 1272 ND2 ASN A 86 83.648 5.320 4.350 1.00 0.23 N ATOM 0 H ASN A 86 82.600 0.688 2.881 1.00 0.13 H new ATOM 0 HA ASN A 86 80.960 2.650 4.390 1.00 0.14 H new ATOM 0 HB2 ASN A 86 83.542 2.673 4.174 1.00 0.15 H new ATOM 0 HB3 ASN A 86 83.307 3.135 2.500 1.00 0.15 H new ATOM 0 HD21 ASN A 86 83.512 6.287 4.644 1.00 0.23 H new ATOM 0 HD22 ASN A 86 84.577 4.900 4.390 1.00 0.23 H new ATOM 1279 N LEU A 87 79.452 3.281 2.473 1.00 0.13 N ATOM 1280 CA LEU A 87 78.608 3.760 1.328 1.00 0.13 C ATOM 1281 C LEU A 87 79.170 5.074 0.791 1.00 0.13 C ATOM 1282 O LEU A 87 78.864 5.477 -0.313 1.00 0.13 O ATOM 1283 CB LEU A 87 77.169 4.014 1.789 1.00 0.14 C ATOM 1284 CG LEU A 87 76.613 2.791 2.520 1.00 0.15 C ATOM 1285 CD1 LEU A 87 75.140 3.039 2.859 1.00 0.18 C ATOM 1286 CD2 LEU A 87 76.730 1.552 1.630 1.00 0.21 C ATOM 0 H LEU A 87 78.993 3.295 3.384 1.00 0.13 H new ATOM 0 HA LEU A 87 78.617 2.992 0.555 1.00 0.13 H new ATOM 0 HB2 LEU A 87 77.141 4.882 2.448 1.00 0.14 H new ATOM 0 HB3 LEU A 87 76.542 4.246 0.928 1.00 0.14 H new ATOM 0 HG LEU A 87 77.182 2.625 3.435 1.00 0.15 H new ATOM 0 HD11 LEU A 87 74.736 2.171 3.381 1.00 0.18 H new ATOM 0 HD12 LEU A 87 75.057 3.918 3.498 1.00 0.18 H new ATOM 0 HD13 LEU A 87 74.578 3.204 1.940 1.00 0.18 H new ATOM 0 HD21 LEU A 87 76.332 0.686 2.158 1.00 0.21 H new ATOM 0 HD22 LEU A 87 76.164 1.709 0.712 1.00 0.21 H new ATOM 0 HD23 LEU A 87 77.778 1.378 1.385 1.00 0.21 H new ATOM 1298 N ASP A 88 79.951 5.771 1.560 1.00 0.14 N ATOM 1299 CA ASP A 88 80.475 7.079 1.077 1.00 0.15 C ATOM 1300 C ASP A 88 81.465 6.896 -0.079 1.00 0.15 C ATOM 1301 O ASP A 88 81.846 7.850 -0.719 1.00 0.15 O ATOM 1302 CB ASP A 88 81.181 7.797 2.227 1.00 0.17 C ATOM 1303 CG ASP A 88 80.146 8.262 3.253 1.00 0.18 C ATOM 1304 OD1 ASP A 88 79.002 8.447 2.871 1.00 0.19 O ATOM 1305 OD2 ASP A 88 80.514 8.425 4.405 1.00 0.22 O ATOM 0 H ASP A 88 80.250 5.497 2.496 1.00 0.14 H new ATOM 0 HA ASP A 88 79.631 7.668 0.717 1.00 0.15 H new ATOM 0 HB2 ASP A 88 81.901 7.129 2.699 1.00 0.17 H new ATOM 0 HB3 ASP A 88 81.741 8.652 1.847 1.00 0.17 H new ATOM 1310 N ASP A 89 81.935 5.705 -0.333 1.00 0.16 N ATOM 1311 CA ASP A 89 82.936 5.514 -1.425 1.00 0.17 C ATOM 1312 C ASP A 89 82.387 5.883 -2.807 1.00 0.16 C ATOM 1313 O ASP A 89 83.110 6.399 -3.634 1.00 0.16 O ATOM 1314 CB ASP A 89 83.344 4.043 -1.479 1.00 0.20 C ATOM 1315 CG ASP A 89 84.148 3.688 -0.225 1.00 0.23 C ATOM 1316 OD1 ASP A 89 84.856 4.551 0.265 1.00 0.27 O ATOM 1317 OD2 ASP A 89 84.039 2.559 0.225 1.00 0.26 O ATOM 0 H ASP A 89 81.670 4.856 0.167 1.00 0.16 H new ATOM 0 HA ASP A 89 83.776 6.170 -1.197 1.00 0.17 H new ATOM 0 HB2 ASP A 89 82.458 3.411 -1.546 1.00 0.20 H new ATOM 0 HB3 ASP A 89 83.940 3.853 -2.372 1.00 0.20 H new ATOM 1322 N HIS A 90 81.149 5.551 -3.107 1.00 0.16 N ATOM 1323 CA HIS A 90 80.626 5.830 -4.489 1.00 0.17 C ATOM 1324 C HIS A 90 79.177 6.331 -4.469 1.00 0.16 C ATOM 1325 O HIS A 90 78.666 6.785 -5.475 1.00 0.17 O ATOM 1326 CB HIS A 90 80.722 4.526 -5.286 1.00 0.21 C ATOM 1327 CG HIS A 90 82.165 4.097 -5.305 1.00 0.22 C ATOM 1328 ND1 HIS A 90 83.117 4.762 -6.066 1.00 0.26 N ATOM 1329 CD2 HIS A 90 82.847 3.107 -4.632 1.00 0.25 C ATOM 1330 CE1 HIS A 90 84.305 4.176 -5.838 1.00 0.29 C ATOM 1331 NE2 HIS A 90 84.195 3.162 -4.974 1.00 0.28 N ATOM 0 H HIS A 90 80.489 5.107 -2.469 1.00 0.16 H new ATOM 0 HA HIS A 90 81.221 6.620 -4.947 1.00 0.17 H new ATOM 0 HB2 HIS A 90 80.101 3.755 -4.831 1.00 0.21 H new ATOM 0 HB3 HIS A 90 80.355 4.672 -6.302 1.00 0.21 H new ATOM 0 HD1 HIS A 90 82.946 5.553 -6.687 1.00 0.26 H new ATOM 0 HD2 HIS A 90 82.405 2.399 -3.946 1.00 0.25 H new ATOM 0 HE1 HIS A 90 85.233 4.486 -6.296 1.00 0.29 H new ATOM 1339 N ILE A 91 78.506 6.270 -3.352 1.00 0.15 N ATOM 1340 CA ILE A 91 77.095 6.764 -3.317 1.00 0.14 C ATOM 1341 C ILE A 91 77.108 8.273 -3.099 1.00 0.14 C ATOM 1342 O ILE A 91 77.394 8.751 -2.019 1.00 0.15 O ATOM 1343 CB ILE A 91 76.334 6.087 -2.170 1.00 0.15 C ATOM 1344 CG1 ILE A 91 76.218 4.571 -2.444 1.00 0.16 C ATOM 1345 CG2 ILE A 91 74.938 6.712 -2.042 1.00 0.17 C ATOM 1346 CD1 ILE A 91 75.419 4.312 -3.740 1.00 0.17 C ATOM 0 H ILE A 91 78.866 5.905 -2.470 1.00 0.15 H new ATOM 0 HA ILE A 91 76.600 6.527 -4.259 1.00 0.14 H new ATOM 0 HB ILE A 91 76.876 6.234 -1.236 1.00 0.15 H new ATOM 0 HG12 ILE A 91 77.213 4.135 -2.531 1.00 0.16 H new ATOM 0 HG13 ILE A 91 75.727 4.081 -1.604 1.00 0.16 H new ATOM 0 HG21 ILE A 91 74.397 6.231 -1.227 1.00 0.17 H new ATOM 0 HG22 ILE A 91 75.034 7.778 -1.834 1.00 0.17 H new ATOM 0 HG23 ILE A 91 74.390 6.572 -2.974 1.00 0.17 H new ATOM 0 HD11 ILE A 91 75.348 3.239 -3.916 1.00 0.17 H new ATOM 0 HD12 ILE A 91 74.417 4.730 -3.640 1.00 0.17 H new ATOM 0 HD13 ILE A 91 75.927 4.785 -4.581 1.00 0.17 H new ATOM 1358 N ALA A 92 76.796 9.025 -4.131 1.00 0.15 N ATOM 1359 CA ALA A 92 76.796 10.522 -4.003 1.00 0.16 C ATOM 1360 C ALA A 92 75.392 11.087 -4.216 1.00 0.16 C ATOM 1361 O ALA A 92 74.479 10.406 -4.639 1.00 0.15 O ATOM 1362 CB ALA A 92 77.724 11.163 -5.049 1.00 0.17 C ATOM 0 H ALA A 92 76.542 8.670 -5.053 1.00 0.15 H new ATOM 0 HA ALA A 92 77.147 10.755 -2.998 1.00 0.16 H new ATOM 0 HB1 ALA A 92 77.706 12.247 -4.935 1.00 0.17 H new ATOM 0 HB2 ALA A 92 78.741 10.799 -4.904 1.00 0.17 H new ATOM 0 HB3 ALA A 92 77.383 10.897 -6.050 1.00 0.17 H new ATOM 1368 N ASN A 93 75.239 12.354 -3.936 1.00 0.17 N ATOM 1369 CA ASN A 93 73.929 13.043 -4.121 1.00 0.18 C ATOM 1370 C ASN A 93 74.081 14.014 -5.291 1.00 0.18 C ATOM 1371 O ASN A 93 74.780 15.003 -5.189 1.00 0.19 O ATOM 1372 CB ASN A 93 73.591 13.823 -2.847 1.00 0.20 C ATOM 1373 CG ASN A 93 72.230 14.503 -3.000 1.00 0.20 C ATOM 1374 OD1 ASN A 93 71.388 14.049 -3.751 1.00 0.34 O ATOM 1375 ND2 ASN A 93 71.977 15.584 -2.312 1.00 0.34 N ATOM 0 H ASN A 93 75.984 12.953 -3.579 1.00 0.17 H new ATOM 0 HA ASN A 93 73.133 12.325 -4.321 1.00 0.18 H new ATOM 0 HB2 ASN A 93 73.577 13.149 -1.990 1.00 0.20 H new ATOM 0 HB3 ASN A 93 74.361 14.570 -2.652 1.00 0.20 H new ATOM 0 HD21 ASN A 93 71.073 16.048 -2.405 1.00 0.34 H new ATOM 0 HD22 ASN A 93 72.683 15.965 -1.682 1.00 0.34 H new ATOM 1382 N ILE A 94 73.429 13.750 -6.395 1.00 0.18 N ATOM 1383 CA ILE A 94 73.522 14.669 -7.578 1.00 0.18 C ATOM 1384 C ILE A 94 72.142 15.305 -7.772 1.00 0.18 C ATOM 1385 O ILE A 94 71.214 14.695 -8.259 1.00 0.17 O ATOM 1386 CB ILE A 94 73.934 13.838 -8.808 1.00 0.19 C ATOM 1387 CG1 ILE A 94 75.373 13.329 -8.597 1.00 0.26 C ATOM 1388 CG2 ILE A 94 73.891 14.681 -10.087 1.00 0.24 C ATOM 1389 CD1 ILE A 94 75.752 12.248 -9.625 1.00 0.23 C ATOM 0 H ILE A 94 72.832 12.934 -6.532 1.00 0.18 H new ATOM 0 HA ILE A 94 74.264 15.454 -7.432 1.00 0.18 H new ATOM 0 HB ILE A 94 73.236 13.008 -8.918 1.00 0.19 H new ATOM 0 HG12 ILE A 94 76.069 14.164 -8.674 1.00 0.26 H new ATOM 0 HG13 ILE A 94 75.471 12.924 -7.590 1.00 0.26 H new ATOM 0 HG21 ILE A 94 74.187 14.067 -10.938 1.00 0.24 H new ATOM 0 HG22 ILE A 94 72.879 15.054 -10.243 1.00 0.24 H new ATOM 0 HG23 ILE A 94 74.577 15.523 -9.991 1.00 0.24 H new ATOM 0 HD11 ILE A 94 76.774 11.915 -9.443 1.00 0.23 H new ATOM 0 HD12 ILE A 94 75.072 11.401 -9.530 1.00 0.23 H new ATOM 0 HD13 ILE A 94 75.679 12.661 -10.631 1.00 0.23 H new ATOM 1401 N ASP A 95 72.030 16.548 -7.391 1.00 0.18 N ATOM 1402 CA ASP A 95 70.746 17.299 -7.544 1.00 0.18 C ATOM 1403 C ASP A 95 69.621 16.721 -6.672 1.00 0.18 C ATOM 1404 O ASP A 95 68.467 16.762 -7.049 1.00 0.18 O ATOM 1405 CB ASP A 95 70.315 17.274 -9.016 1.00 0.18 C ATOM 1406 CG ASP A 95 69.320 18.411 -9.276 1.00 0.19 C ATOM 1407 OD1 ASP A 95 68.859 18.999 -8.310 1.00 0.22 O ATOM 1408 OD2 ASP A 95 69.037 18.672 -10.434 1.00 0.22 O ATOM 0 H ASP A 95 72.788 17.087 -6.972 1.00 0.18 H new ATOM 0 HA ASP A 95 70.923 18.322 -7.213 1.00 0.18 H new ATOM 0 HB2 ASP A 95 71.185 17.383 -9.663 1.00 0.18 H new ATOM 0 HB3 ASP A 95 69.858 16.314 -9.256 1.00 0.18 H new ATOM 1413 N GLY A 96 69.919 16.209 -5.506 1.00 0.18 N ATOM 1414 CA GLY A 96 68.829 15.671 -4.631 1.00 0.18 C ATOM 1415 C GLY A 96 68.489 14.228 -5.014 1.00 0.18 C ATOM 1416 O GLY A 96 67.638 13.606 -4.410 1.00 0.19 O ATOM 0 H GLY A 96 70.861 16.139 -5.122 1.00 0.18 H new ATOM 0 HA2 GLY A 96 69.141 15.712 -3.587 1.00 0.18 H new ATOM 0 HA3 GLY A 96 67.941 16.296 -4.723 1.00 0.18 H new ATOM 1420 N THR A 97 69.159 13.688 -5.998 1.00 0.17 N ATOM 1421 CA THR A 97 68.896 12.274 -6.418 1.00 0.18 C ATOM 1422 C THR A 97 70.178 11.466 -6.217 1.00 0.17 C ATOM 1423 O THR A 97 71.247 11.875 -6.626 1.00 0.18 O ATOM 1424 CB THR A 97 68.475 12.251 -7.892 1.00 0.21 C ATOM 1425 OG1 THR A 97 67.189 12.845 -8.015 1.00 0.24 O ATOM 1426 CG2 THR A 97 68.422 10.808 -8.398 1.00 0.23 C ATOM 0 H THR A 97 69.883 14.167 -6.534 1.00 0.17 H new ATOM 0 HA THR A 97 68.094 11.840 -5.822 1.00 0.18 H new ATOM 0 HB THR A 97 69.200 12.808 -8.486 1.00 0.21 H new ATOM 0 HG1 THR A 97 66.913 12.836 -8.955 1.00 0.24 H new ATOM 0 HG21 THR A 97 68.122 10.801 -9.446 1.00 0.23 H new ATOM 0 HG22 THR A 97 69.407 10.351 -8.299 1.00 0.23 H new ATOM 0 HG23 THR A 97 67.699 10.243 -7.810 1.00 0.23 H new ATOM 1434 N LEU A 98 70.093 10.329 -5.574 1.00 0.17 N ATOM 1435 CA LEU A 98 71.324 9.522 -5.340 1.00 0.17 C ATOM 1436 C LEU A 98 71.750 8.837 -6.640 1.00 0.16 C ATOM 1437 O LEU A 98 70.937 8.283 -7.353 1.00 0.17 O ATOM 1438 CB LEU A 98 71.047 8.437 -4.291 1.00 0.18 C ATOM 1439 CG LEU A 98 70.573 9.046 -2.963 1.00 0.18 C ATOM 1440 CD1 LEU A 98 70.432 7.909 -1.950 1.00 0.22 C ATOM 1441 CD2 LEU A 98 71.596 10.075 -2.454 1.00 0.26 C ATOM 0 H LEU A 98 69.231 9.929 -5.204 1.00 0.17 H new ATOM 0 HA LEU A 98 72.113 10.187 -4.990 1.00 0.17 H new ATOM 0 HB2 LEU A 98 70.290 7.750 -4.668 1.00 0.18 H new ATOM 0 HB3 LEU A 98 71.952 7.853 -4.122 1.00 0.18 H new ATOM 0 HG LEU A 98 69.619 9.555 -3.102 1.00 0.18 H new ATOM 0 HD11 LEU A 98 70.096 8.312 -0.995 1.00 0.22 H new ATOM 0 HD12 LEU A 98 69.703 7.185 -2.315 1.00 0.22 H new ATOM 0 HD13 LEU A 98 71.396 7.418 -1.817 1.00 0.22 H new ATOM 0 HD21 LEU A 98 71.248 10.499 -1.512 1.00 0.26 H new ATOM 0 HD22 LEU A 98 72.558 9.586 -2.298 1.00 0.26 H new ATOM 0 HD23 LEU A 98 71.709 10.871 -3.190 1.00 0.26 H new ATOM 1453 N LYS A 99 73.027 8.850 -6.937 1.00 0.16 N ATOM 1454 CA LYS A 99 73.527 8.176 -8.176 1.00 0.16 C ATOM 1455 C LYS A 99 74.915 7.582 -7.912 1.00 0.16 C ATOM 1456 O LYS A 99 75.806 8.255 -7.426 1.00 0.18 O ATOM 1457 CB LYS A 99 73.626 9.184 -9.331 1.00 0.17 C ATOM 1458 CG LYS A 99 72.226 9.486 -9.877 1.00 0.19 C ATOM 1459 CD LYS A 99 72.325 10.483 -11.035 1.00 0.23 C ATOM 1460 CE LYS A 99 70.934 10.737 -11.617 1.00 0.66 C ATOM 1461 NZ LYS A 99 71.015 11.822 -12.635 1.00 1.38 N ATOM 0 H LYS A 99 73.747 9.300 -6.372 1.00 0.16 H new ATOM 0 HA LYS A 99 72.828 7.386 -8.449 1.00 0.16 H new ATOM 0 HB2 LYS A 99 74.097 10.104 -8.984 1.00 0.17 H new ATOM 0 HB3 LYS A 99 74.257 8.782 -10.124 1.00 0.17 H new ATOM 0 HG2 LYS A 99 71.752 8.565 -10.217 1.00 0.19 H new ATOM 0 HG3 LYS A 99 71.597 9.895 -9.086 1.00 0.19 H new ATOM 0 HD2 LYS A 99 72.760 11.419 -10.685 1.00 0.23 H new ATOM 0 HD3 LYS A 99 72.987 10.093 -11.808 1.00 0.23 H new ATOM 0 HE2 LYS A 99 70.545 9.825 -12.071 1.00 0.66 H new ATOM 0 HE3 LYS A 99 70.241 11.018 -10.824 1.00 0.66 H new ATOM 0 HZ1 LYS A 99 70.070 11.997 -13.032 1.00 1.38 H new ATOM 0 HZ2 LYS A 99 71.369 12.692 -12.188 1.00 1.38 H new ATOM 0 HZ3 LYS A 99 71.663 11.536 -13.396 1.00 1.38 H new ATOM 1475 N TYR A 100 75.112 6.336 -8.243 1.00 0.16 N ATOM 1476 CA TYR A 100 76.442 5.690 -8.039 1.00 0.17 C ATOM 1477 C TYR A 100 77.433 6.275 -9.052 1.00 0.21 C ATOM 1478 O TYR A 100 77.100 6.491 -10.201 1.00 0.22 O ATOM 1479 CB TYR A 100 76.299 4.185 -8.296 1.00 0.17 C ATOM 1480 CG TYR A 100 77.649 3.517 -8.200 1.00 0.19 C ATOM 1481 CD1 TYR A 100 78.518 3.538 -9.297 1.00 0.25 C ATOM 1482 CD2 TYR A 100 78.036 2.880 -7.013 1.00 0.19 C ATOM 1483 CE1 TYR A 100 79.772 2.922 -9.212 1.00 0.29 C ATOM 1484 CE2 TYR A 100 79.291 2.266 -6.927 1.00 0.24 C ATOM 1485 CZ TYR A 100 80.159 2.286 -8.025 1.00 0.28 C ATOM 1486 OH TYR A 100 81.397 1.681 -7.939 1.00 0.33 O ATOM 0 H TYR A 100 74.400 5.730 -8.651 1.00 0.16 H new ATOM 0 HA TYR A 100 76.798 5.866 -7.024 1.00 0.17 H new ATOM 0 HB2 TYR A 100 75.614 3.747 -7.570 1.00 0.17 H new ATOM 0 HB3 TYR A 100 75.869 4.015 -9.283 1.00 0.17 H new ATOM 0 HD1 TYR A 100 78.220 4.031 -10.211 1.00 0.25 H new ATOM 0 HD2 TYR A 100 77.367 2.863 -6.166 1.00 0.19 H new ATOM 0 HE1 TYR A 100 80.440 2.937 -10.060 1.00 0.29 H new ATOM 0 HE2 TYR A 100 79.590 1.776 -6.012 1.00 0.24 H new ATOM 0 HH TYR A 100 81.508 1.288 -7.048 1.00 0.33 H new ATOM 1496 N GLU A 101 78.652 6.522 -8.644 1.00 0.26 N ATOM 1497 CA GLU A 101 79.666 7.082 -9.591 1.00 0.33 C ATOM 1498 C GLU A 101 81.053 6.554 -9.220 1.00 0.40 C ATOM 1499 O GLU A 101 81.882 6.446 -10.109 1.00 1.14 O ATOM 1500 CB GLU A 101 79.654 8.617 -9.518 1.00 0.41 C ATOM 1501 CG GLU A 101 80.019 9.086 -8.105 1.00 0.45 C ATOM 1502 CD GLU A 101 79.988 10.616 -8.053 1.00 1.09 C ATOM 1503 OE1 GLU A 101 79.897 11.224 -9.107 1.00 1.69 O ATOM 1504 OE2 GLU A 101 80.057 11.154 -6.960 1.00 1.44 O ATOM 1505 OXT GLU A 101 81.263 6.261 -8.055 1.00 1.12 O ATOM 0 H GLU A 101 78.990 6.360 -7.695 1.00 0.26 H new ATOM 0 HA GLU A 101 79.422 6.774 -10.608 1.00 0.33 H new ATOM 0 HB2 GLU A 101 80.361 9.028 -10.239 1.00 0.41 H new ATOM 0 HB3 GLU A 101 78.668 8.993 -9.790 1.00 0.41 H new ATOM 0 HG2 GLU A 101 79.318 8.672 -7.380 1.00 0.45 H new ATOM 0 HG3 GLU A 101 81.010 8.722 -7.834 1.00 0.45 H new TER 1512 GLU A 101