USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 509 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 38 SER OG : rot -176:sc= 1.09 USER MOD Set 1.2: A 67 SER OG : rot -61:sc= 1.14 USER MOD Set 2.1: A 35 LYS NZ :NH3+ -160:sc= 2.5e-06 (180deg=0) USER MOD Set 2.2: A 37 SER OG : rot 180:sc=0.000853 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.22 X(o=-0.22,f=-0.057) USER MOD Single : A 13 ASN : amide:sc= -0.197 K(o=-0.2,f=-2.3!) USER MOD Single : A 17 LYS NZ :NH3+ -157:sc= -0.143 (180deg=-0.643) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc=-0.00428 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -77:sc= 0.44 USER MOD Single : A 66 TYR OH : rot 180:sc= -0.229 USER MOD Single : A 68 SER OG : rot -85:sc= 1.58 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.0393 X(o=-0.039,f=-0.46) USER MOD Single : A 78 SER OG : rot 180:sc=-0.00316 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0.0747 X(o=0.075,f=0) USER MOD ----------------------------------------------------------------- ATOM 52 N GLU A 5 7.327 -8.330 -7.529 1.00 43.21 N ATOM 53 CA GLU A 5 7.038 -9.525 -8.313 1.00 24.01 C ATOM 54 C GLU A 5 7.981 -10.664 -7.936 1.00 23.03 C ATOM 55 O GLU A 5 9.081 -10.780 -8.477 1.00 1.43 O ATOM 56 CB GLU A 5 7.159 -9.223 -9.808 1.00 53.31 C ATOM 57 CG GLU A 5 6.483 -10.255 -10.694 1.00 74.51 C ATOM 58 CD GLU A 5 5.473 -9.639 -11.643 1.00 0.12 C ATOM 59 OE1 GLU A 5 5.897 -8.944 -12.590 1.00 63.52 O ATOM 60 OE2 GLU A 5 4.260 -9.850 -11.438 1.00 74.30 O ATOM 0 HA GLU A 5 6.016 -9.834 -8.093 1.00 24.01 H new ATOM 0 HB2 GLU A 5 6.724 -8.244 -10.009 1.00 53.31 H new ATOM 0 HB3 GLU A 5 8.214 -9.164 -10.074 1.00 53.31 H new ATOM 0 HG2 GLU A 5 7.241 -10.785 -11.271 1.00 74.51 H new ATOM 0 HG3 GLU A 5 5.983 -10.994 -10.068 1.00 74.51 H new ATOM 67 N VAL A 6 7.542 -11.503 -7.003 1.00 25.41 N ATOM 68 CA VAL A 6 8.346 -12.634 -6.553 1.00 13.23 C ATOM 69 C VAL A 6 7.722 -13.957 -6.982 1.00 50.14 C ATOM 70 O VAL A 6 6.539 -14.203 -6.746 1.00 53.50 O ATOM 71 CB VAL A 6 8.511 -12.630 -5.021 1.00 63.24 C ATOM 72 CG1 VAL A 6 9.366 -13.806 -4.574 1.00 5.21 C ATOM 73 CG2 VAL A 6 9.114 -11.314 -4.554 1.00 55.32 C ATOM 0 H VAL A 6 6.635 -11.421 -6.544 1.00 25.41 H new ATOM 0 HA VAL A 6 9.327 -12.531 -7.018 1.00 13.23 H new ATOM 0 HB VAL A 6 7.526 -12.734 -4.566 1.00 63.24 H new ATOM 0 HG11 VAL A 6 9.472 -13.787 -3.489 1.00 5.21 H new ATOM 0 HG12 VAL A 6 8.889 -14.738 -4.876 1.00 5.21 H new ATOM 0 HG13 VAL A 6 10.351 -13.736 -5.036 1.00 5.21 H new ATOM 0 HG21 VAL A 6 9.223 -11.328 -3.470 1.00 55.32 H new ATOM 0 HG22 VAL A 6 10.092 -11.178 -5.016 1.00 55.32 H new ATOM 0 HG23 VAL A 6 8.459 -10.491 -4.842 1.00 55.32 H new ATOM 83 N ILE A 7 8.525 -14.806 -7.614 1.00 45.11 N ATOM 84 CA ILE A 7 8.052 -16.105 -8.075 1.00 65.13 C ATOM 85 C ILE A 7 8.943 -17.230 -7.559 1.00 4.34 C ATOM 86 O ILE A 7 10.093 -17.368 -7.977 1.00 0.40 O ATOM 87 CB ILE A 7 8.001 -16.172 -9.613 1.00 54.11 C ATOM 88 CG1 ILE A 7 7.649 -17.588 -10.072 1.00 74.43 C ATOM 89 CG2 ILE A 7 9.330 -15.732 -10.208 1.00 10.54 C ATOM 90 CD1 ILE A 7 7.366 -17.690 -11.555 1.00 21.32 C ATOM 0 H ILE A 7 9.506 -14.617 -7.818 1.00 45.11 H new ATOM 0 HA ILE A 7 7.044 -16.232 -7.679 1.00 65.13 H new ATOM 0 HB ILE A 7 7.225 -15.492 -9.965 1.00 54.11 H new ATOM 0 HG12 ILE A 7 8.471 -18.258 -9.820 1.00 74.43 H new ATOM 0 HG13 ILE A 7 6.776 -17.934 -9.519 1.00 74.43 H new ATOM 0 HG21 ILE A 7 9.277 -15.785 -11.295 1.00 10.54 H new ATOM 0 HG22 ILE A 7 9.543 -14.707 -9.905 1.00 10.54 H new ATOM 0 HG23 ILE A 7 10.124 -16.388 -9.851 1.00 10.54 H new ATOM 0 HD11 ILE A 7 7.124 -18.722 -11.809 1.00 21.32 H new ATOM 0 HD12 ILE A 7 6.524 -17.046 -11.810 1.00 21.32 H new ATOM 0 HD13 ILE A 7 8.246 -17.375 -12.116 1.00 21.32 H new ATOM 102 N VAL A 8 8.404 -18.033 -6.647 1.00 62.34 N ATOM 103 CA VAL A 8 9.149 -19.149 -6.075 1.00 51.41 C ATOM 104 C VAL A 8 8.283 -20.400 -5.988 1.00 62.42 C ATOM 105 O VAL A 8 7.084 -20.321 -5.720 1.00 61.40 O ATOM 106 CB VAL A 8 9.680 -18.807 -4.670 1.00 43.34 C ATOM 107 CG1 VAL A 8 10.431 -19.991 -4.081 1.00 10.25 C ATOM 108 CG2 VAL A 8 10.570 -17.574 -4.723 1.00 52.33 C ATOM 0 H VAL A 8 7.455 -17.932 -6.288 1.00 62.34 H new ATOM 0 HA VAL A 8 9.993 -19.340 -6.738 1.00 51.41 H new ATOM 0 HB VAL A 8 8.831 -18.587 -4.023 1.00 43.34 H new ATOM 0 HG11 VAL A 8 10.799 -19.731 -3.088 1.00 10.25 H new ATOM 0 HG12 VAL A 8 9.760 -20.847 -4.007 1.00 10.25 H new ATOM 0 HG13 VAL A 8 11.273 -20.245 -4.725 1.00 10.25 H new ATOM 0 HG21 VAL A 8 10.936 -17.347 -3.722 1.00 52.33 H new ATOM 0 HG22 VAL A 8 11.415 -17.764 -5.385 1.00 52.33 H new ATOM 0 HG23 VAL A 8 9.997 -16.727 -5.101 1.00 52.33 H new ATOM 118 N TYR A 9 8.899 -21.555 -6.216 1.00 74.32 N ATOM 119 CA TYR A 9 8.184 -22.825 -6.166 1.00 31.24 C ATOM 120 C TYR A 9 8.497 -23.575 -4.875 1.00 32.54 C ATOM 121 O TYR A 9 9.644 -23.618 -4.432 1.00 20.12 O ATOM 122 CB TYR A 9 8.551 -23.690 -7.373 1.00 4.41 C ATOM 123 CG TYR A 9 7.844 -23.284 -8.646 1.00 50.20 C ATOM 124 CD1 TYR A 9 7.975 -21.998 -9.157 1.00 62.42 C ATOM 125 CD2 TYR A 9 7.044 -24.185 -9.337 1.00 53.02 C ATOM 126 CE1 TYR A 9 7.330 -21.623 -10.320 1.00 2.32 C ATOM 127 CE2 TYR A 9 6.396 -23.819 -10.501 1.00 43.42 C ATOM 128 CZ TYR A 9 6.542 -22.536 -10.988 1.00 64.43 C ATOM 129 OH TYR A 9 5.898 -22.167 -12.147 1.00 30.13 O ATOM 0 H TYR A 9 9.891 -21.638 -6.437 1.00 74.32 H new ATOM 0 HA TYR A 9 7.115 -22.612 -6.192 1.00 31.24 H new ATOM 0 HB2 TYR A 9 9.628 -23.638 -7.533 1.00 4.41 H new ATOM 0 HB3 TYR A 9 8.312 -24.730 -7.150 1.00 4.41 H new ATOM 0 HD1 TYR A 9 8.591 -21.280 -8.636 1.00 62.42 H new ATOM 0 HD2 TYR A 9 6.926 -25.189 -8.958 1.00 53.02 H new ATOM 0 HE1 TYR A 9 7.443 -20.620 -10.704 1.00 2.32 H new ATOM 0 HE2 TYR A 9 5.779 -24.533 -11.027 1.00 43.42 H new ATOM 0 HH TYR A 9 5.385 -22.927 -12.493 1.00 30.13 H new ATOM 139 N GLU A 10 7.467 -24.166 -4.277 1.00 31.24 N ATOM 140 CA GLU A 10 7.631 -24.915 -3.036 1.00 64.03 C ATOM 141 C GLU A 10 7.859 -26.397 -3.321 1.00 51.23 C ATOM 142 O GLU A 10 7.295 -27.263 -2.652 1.00 75.03 O ATOM 143 CB GLU A 10 6.403 -24.739 -2.142 1.00 34.34 C ATOM 144 CG GLU A 10 6.613 -25.222 -0.716 1.00 62.35 C ATOM 145 CD GLU A 10 5.925 -24.340 0.306 1.00 12.44 C ATOM 146 OE1 GLU A 10 6.242 -23.132 0.356 1.00 33.54 O ATOM 147 OE2 GLU A 10 5.070 -24.855 1.057 1.00 62.14 O ATOM 0 H GLU A 10 6.511 -24.141 -4.631 1.00 31.24 H new ATOM 0 HA GLU A 10 8.507 -24.524 -2.518 1.00 64.03 H new ATOM 0 HB2 GLU A 10 6.126 -23.685 -2.122 1.00 34.34 H new ATOM 0 HB3 GLU A 10 5.565 -25.280 -2.580 1.00 34.34 H new ATOM 0 HG2 GLU A 10 6.237 -26.241 -0.623 1.00 62.35 H new ATOM 0 HG3 GLU A 10 7.681 -25.255 -0.501 1.00 62.35 H new ATOM 154 N HIS A 11 8.689 -26.681 -4.320 1.00 3.42 N ATOM 155 CA HIS A 11 8.992 -28.057 -4.694 1.00 61.44 C ATOM 156 C HIS A 11 9.847 -28.101 -5.957 1.00 70.34 C ATOM 157 O HIS A 11 10.351 -27.075 -6.414 1.00 71.33 O ATOM 158 CB HIS A 11 7.700 -28.845 -4.912 1.00 32.14 C ATOM 159 CG HIS A 11 7.540 -30.004 -3.976 1.00 42.20 C ATOM 160 ND1 HIS A 11 6.319 -30.406 -3.478 1.00 70.41 N ATOM 161 CD2 HIS A 11 8.457 -30.849 -3.449 1.00 52.10 C ATOM 162 CE1 HIS A 11 6.492 -31.448 -2.684 1.00 15.10 C ATOM 163 NE2 HIS A 11 7.780 -31.737 -2.650 1.00 11.24 N ATOM 0 H HIS A 11 9.163 -25.976 -4.885 1.00 3.42 H new ATOM 0 HA HIS A 11 9.554 -28.513 -3.879 1.00 61.44 H new ATOM 0 HB2 HIS A 11 6.850 -28.173 -4.794 1.00 32.14 H new ATOM 0 HB3 HIS A 11 7.676 -29.211 -5.938 1.00 32.14 H new ATOM 0 HD2 HIS A 11 9.522 -30.828 -3.624 1.00 52.10 H new ATOM 0 HE1 HIS A 11 5.712 -31.974 -2.153 1.00 15.10 H new ATOM 0 HE2 HIS A 11 8.203 -32.497 -2.117 1.00 11.24 H new ATOM 171 N VAL A 12 10.007 -29.297 -6.517 1.00 12.42 N ATOM 172 CA VAL A 12 10.800 -29.474 -7.727 1.00 23.30 C ATOM 173 C VAL A 12 10.178 -28.735 -8.906 1.00 35.11 C ATOM 174 O VAL A 12 8.993 -28.404 -8.888 1.00 10.20 O ATOM 175 CB VAL A 12 10.946 -30.964 -8.089 1.00 23.34 C ATOM 176 CG1 VAL A 12 12.037 -31.157 -9.131 1.00 40.52 C ATOM 177 CG2 VAL A 12 11.236 -31.788 -6.843 1.00 64.43 C ATOM 0 H VAL A 12 9.598 -30.157 -6.151 1.00 12.42 H new ATOM 0 HA VAL A 12 11.787 -29.059 -7.522 1.00 23.30 H new ATOM 0 HB VAL A 12 10.005 -31.310 -8.516 1.00 23.34 H new ATOM 0 HG11 VAL A 12 12.125 -32.216 -9.374 1.00 40.52 H new ATOM 0 HG12 VAL A 12 11.783 -30.598 -10.032 1.00 40.52 H new ATOM 0 HG13 VAL A 12 12.986 -30.795 -8.735 1.00 40.52 H new ATOM 0 HG21 VAL A 12 11.336 -32.838 -7.117 1.00 64.43 H new ATOM 0 HG22 VAL A 12 12.163 -31.442 -6.386 1.00 64.43 H new ATOM 0 HG23 VAL A 12 10.417 -31.675 -6.133 1.00 64.43 H new ATOM 187 N ASN A 13 10.985 -28.480 -9.931 1.00 33.14 N ATOM 188 CA ASN A 13 10.513 -27.779 -11.119 1.00 72.54 C ATOM 189 C ASN A 13 9.897 -28.756 -12.118 1.00 4.54 C ATOM 190 O ASN A 13 10.287 -28.795 -13.285 1.00 3.12 O ATOM 191 CB ASN A 13 11.664 -27.017 -11.778 1.00 61.02 C ATOM 192 CG ASN A 13 11.189 -25.789 -12.531 1.00 33.31 C ATOM 193 OD1 ASN A 13 10.068 -25.321 -12.332 1.00 74.22 O ATOM 194 ND2 ASN A 13 12.042 -25.262 -13.401 1.00 51.12 N ATOM 0 H ASN A 13 11.969 -28.748 -9.962 1.00 33.14 H new ATOM 0 HA ASN A 13 9.746 -27.069 -10.811 1.00 72.54 H new ATOM 0 HB2 ASN A 13 12.381 -26.717 -11.014 1.00 61.02 H new ATOM 0 HB3 ASN A 13 12.189 -27.681 -12.465 1.00 61.02 H new ATOM 0 HD21 ASN A 13 11.778 -24.435 -13.937 1.00 51.12 H new ATOM 0 HD22 ASN A 13 12.961 -25.684 -13.533 1.00 51.12 H new ATOM 201 N PHE A 14 8.933 -29.542 -11.650 1.00 41.45 N ATOM 202 CA PHE A 14 8.263 -30.518 -12.501 1.00 63.15 C ATOM 203 C PHE A 14 7.153 -31.234 -11.738 1.00 71.00 C ATOM 204 O PHE A 14 6.822 -32.382 -12.032 1.00 44.15 O ATOM 205 CB PHE A 14 9.271 -31.539 -13.034 1.00 4.41 C ATOM 206 CG PHE A 14 9.505 -32.693 -12.102 1.00 3.24 C ATOM 207 CD1 PHE A 14 9.739 -32.475 -10.753 1.00 73.24 C ATOM 208 CD2 PHE A 14 9.492 -33.995 -12.574 1.00 23.42 C ATOM 209 CE1 PHE A 14 9.954 -33.535 -9.893 1.00 30.14 C ATOM 210 CE2 PHE A 14 9.706 -35.059 -11.718 1.00 24.22 C ATOM 211 CZ PHE A 14 9.939 -34.829 -10.376 1.00 12.31 C ATOM 0 H PHE A 14 8.599 -29.522 -10.687 1.00 41.45 H new ATOM 0 HA PHE A 14 7.817 -29.985 -13.341 1.00 63.15 H new ATOM 0 HB2 PHE A 14 8.917 -31.922 -13.991 1.00 4.41 H new ATOM 0 HB3 PHE A 14 10.220 -31.037 -13.223 1.00 4.41 H new ATOM 0 HD1 PHE A 14 9.753 -31.465 -10.370 1.00 73.24 H new ATOM 0 HD2 PHE A 14 9.313 -34.181 -13.623 1.00 23.42 H new ATOM 0 HE1 PHE A 14 10.134 -33.352 -8.844 1.00 30.14 H new ATOM 0 HE2 PHE A 14 9.691 -36.070 -12.098 1.00 24.22 H new ATOM 0 HZ PHE A 14 10.109 -35.659 -9.706 1.00 12.31 H new ATOM 221 N GLY A 15 6.581 -30.546 -10.754 1.00 72.42 N ATOM 222 CA GLY A 15 5.514 -31.132 -9.963 1.00 5.33 C ATOM 223 C GLY A 15 5.402 -30.504 -8.587 1.00 70.43 C ATOM 224 O GLY A 15 5.307 -31.208 -7.582 1.00 54.35 O ATOM 0 H GLY A 15 6.837 -29.594 -10.491 1.00 72.42 H new ATOM 0 HA2 GLY A 15 4.568 -31.015 -10.491 1.00 5.33 H new ATOM 0 HA3 GLY A 15 5.690 -32.203 -9.858 1.00 5.33 H new ATOM 228 N GLY A 16 5.415 -29.176 -8.542 1.00 12.44 N ATOM 229 CA GLY A 16 5.315 -28.476 -7.274 1.00 54.01 C ATOM 230 C GLY A 16 4.473 -27.219 -7.371 1.00 4.33 C ATOM 231 O GLY A 16 4.082 -26.807 -8.463 1.00 10.41 O ATOM 0 H GLY A 16 5.493 -28.572 -9.360 1.00 12.44 H new ATOM 0 HA2 GLY A 16 4.883 -29.142 -6.528 1.00 54.01 H new ATOM 0 HA3 GLY A 16 6.315 -28.214 -6.927 1.00 54.01 H new ATOM 235 N LYS A 17 4.192 -26.607 -6.225 1.00 65.21 N ATOM 236 CA LYS A 17 3.392 -25.389 -6.183 1.00 72.45 C ATOM 237 C LYS A 17 4.272 -24.154 -6.339 1.00 43.32 C ATOM 238 O LYS A 17 5.491 -24.224 -6.182 1.00 21.54 O ATOM 239 CB LYS A 17 2.613 -25.311 -4.868 1.00 71.25 C ATOM 240 CG LYS A 17 1.280 -24.594 -4.993 1.00 34.31 C ATOM 241 CD LYS A 17 1.191 -23.413 -4.042 1.00 1.51 C ATOM 242 CE LYS A 17 0.899 -23.863 -2.619 1.00 34.02 C ATOM 243 NZ LYS A 17 -0.412 -24.562 -2.517 1.00 32.23 N ATOM 0 H LYS A 17 4.507 -26.935 -5.312 1.00 65.21 H new ATOM 0 HA LYS A 17 2.688 -25.418 -7.014 1.00 72.45 H new ATOM 0 HB2 LYS A 17 2.439 -26.321 -4.498 1.00 71.25 H new ATOM 0 HB3 LYS A 17 3.223 -24.799 -4.124 1.00 71.25 H new ATOM 0 HG2 LYS A 17 1.147 -24.248 -6.018 1.00 34.31 H new ATOM 0 HG3 LYS A 17 0.469 -25.292 -4.784 1.00 34.31 H new ATOM 0 HD2 LYS A 17 2.128 -22.856 -4.063 1.00 1.51 H new ATOM 0 HD3 LYS A 17 0.408 -22.733 -4.377 1.00 1.51 H new ATOM 0 HE2 LYS A 17 1.693 -24.528 -2.278 1.00 34.02 H new ATOM 0 HE3 LYS A 17 0.902 -22.997 -1.956 1.00 34.02 H new ATOM 0 HZ1 LYS A 17 -0.759 -24.508 -1.538 1.00 32.23 H new ATOM 0 HZ2 LYS A 17 -1.098 -24.108 -3.153 1.00 32.23 H new ATOM 0 HZ3 LYS A 17 -0.296 -25.559 -2.789 1.00 32.23 H new ATOM 257 N SER A 18 3.647 -23.022 -6.648 1.00 61.11 N ATOM 258 CA SER A 18 4.375 -21.771 -6.827 1.00 74.12 C ATOM 259 C SER A 18 3.556 -20.589 -6.318 1.00 54.34 C ATOM 260 O SER A 18 2.353 -20.707 -6.085 1.00 15.24 O ATOM 261 CB SER A 18 4.724 -21.567 -8.302 1.00 44.34 C ATOM 262 OG SER A 18 3.690 -20.876 -8.981 1.00 12.31 O ATOM 0 H SER A 18 2.638 -22.946 -6.780 1.00 61.11 H new ATOM 0 HA SER A 18 5.296 -21.829 -6.248 1.00 74.12 H new ATOM 0 HB2 SER A 18 5.655 -21.006 -8.384 1.00 44.34 H new ATOM 0 HB3 SER A 18 4.891 -22.534 -8.776 1.00 44.34 H new ATOM 0 HG SER A 18 3.939 -20.757 -9.921 1.00 12.31 H new ATOM 268 N PHE A 19 4.217 -19.448 -6.149 1.00 75.42 N ATOM 269 CA PHE A 19 3.551 -18.243 -5.667 1.00 64.52 C ATOM 270 C PHE A 19 3.763 -17.082 -6.634 1.00 1.24 C ATOM 271 O PHE A 19 4.873 -16.567 -6.769 1.00 64.42 O ATOM 272 CB PHE A 19 4.073 -17.868 -4.279 1.00 22.03 C ATOM 273 CG PHE A 19 4.197 -19.040 -3.348 1.00 23.32 C ATOM 274 CD1 PHE A 19 3.180 -19.976 -3.251 1.00 53.23 C ATOM 275 CD2 PHE A 19 5.332 -19.207 -2.570 1.00 15.02 C ATOM 276 CE1 PHE A 19 3.291 -21.055 -2.395 1.00 2.21 C ATOM 277 CE2 PHE A 19 5.449 -20.284 -1.712 1.00 32.41 C ATOM 278 CZ PHE A 19 4.428 -21.210 -1.625 1.00 75.02 C ATOM 0 H PHE A 19 5.213 -19.333 -6.339 1.00 75.42 H new ATOM 0 HA PHE A 19 2.482 -18.448 -5.602 1.00 64.52 H new ATOM 0 HB2 PHE A 19 5.048 -17.392 -4.383 1.00 22.03 H new ATOM 0 HB3 PHE A 19 3.404 -17.131 -3.835 1.00 22.03 H new ATOM 0 HD1 PHE A 19 2.290 -19.861 -3.852 1.00 53.23 H new ATOM 0 HD2 PHE A 19 6.134 -18.487 -2.635 1.00 15.02 H new ATOM 0 HE1 PHE A 19 2.490 -21.776 -2.328 1.00 2.21 H new ATOM 0 HE2 PHE A 19 6.338 -20.401 -1.110 1.00 32.41 H new ATOM 0 HZ PHE A 19 4.518 -22.054 -0.957 1.00 75.02 H new ATOM 288 N ASP A 20 2.691 -16.674 -7.303 1.00 75.42 N ATOM 289 CA ASP A 20 2.757 -15.573 -8.257 1.00 63.31 C ATOM 290 C ASP A 20 2.132 -14.310 -7.673 1.00 63.05 C ATOM 291 O ASP A 20 1.331 -13.643 -8.327 1.00 71.22 O ATOM 292 CB ASP A 20 2.049 -15.954 -9.558 1.00 15.20 C ATOM 293 CG ASP A 20 0.757 -16.709 -9.314 1.00 60.41 C ATOM 294 OD1 ASP A 20 0.825 -17.923 -9.028 1.00 1.21 O ATOM 295 OD2 ASP A 20 -0.322 -16.087 -9.410 1.00 61.42 O ATOM 0 H ASP A 20 1.765 -17.089 -7.202 1.00 75.42 H new ATOM 0 HA ASP A 20 3.807 -15.372 -8.470 1.00 63.31 H new ATOM 0 HB2 ASP A 20 1.836 -15.051 -10.130 1.00 15.20 H new ATOM 0 HB3 ASP A 20 2.715 -16.567 -10.165 1.00 15.20 H new ATOM 473 N LYS A 35 14.006 -30.727 2.075 1.00 41.13 N ATOM 474 CA LYS A 35 14.077 -29.364 1.562 1.00 50.13 C ATOM 475 C LYS A 35 14.680 -29.340 0.161 1.00 63.40 C ATOM 476 O LYS A 35 15.897 -29.442 -0.003 1.00 14.34 O ATOM 477 CB LYS A 35 14.907 -28.486 2.501 1.00 63.10 C ATOM 478 CG LYS A 35 15.284 -27.142 1.903 1.00 41.24 C ATOM 479 CD LYS A 35 14.061 -26.393 1.399 1.00 24.21 C ATOM 480 CE LYS A 35 14.077 -26.256 -0.116 1.00 14.14 C ATOM 481 NZ LYS A 35 14.450 -24.880 -0.544 1.00 44.50 N ATOM 0 HA LYS A 35 13.062 -28.970 1.508 1.00 50.13 H new ATOM 0 HB2 LYS A 35 14.346 -28.320 3.421 1.00 63.10 H new ATOM 0 HB3 LYS A 35 15.817 -29.020 2.775 1.00 63.10 H new ATOM 0 HG2 LYS A 35 15.797 -26.540 2.653 1.00 41.24 H new ATOM 0 HG3 LYS A 35 15.984 -27.292 1.081 1.00 41.24 H new ATOM 0 HD2 LYS A 35 13.158 -26.919 1.708 1.00 24.21 H new ATOM 0 HD3 LYS A 35 14.026 -25.403 1.855 1.00 24.21 H new ATOM 0 HE2 LYS A 35 14.783 -26.971 -0.538 1.00 14.14 H new ATOM 0 HE3 LYS A 35 13.093 -26.506 -0.514 1.00 14.14 H new ATOM 0 HZ1 LYS A 35 14.132 -24.722 -1.521 1.00 44.50 H new ATOM 0 HZ2 LYS A 35 13.997 -24.186 0.084 1.00 44.50 H new ATOM 0 HZ3 LYS A 35 15.483 -24.769 -0.494 1.00 44.50 H new ATOM 495 N ILE A 36 13.823 -29.205 -0.845 1.00 42.22 N ATOM 496 CA ILE A 36 14.273 -29.165 -2.231 1.00 60.41 C ATOM 497 C ILE A 36 13.263 -28.444 -3.117 1.00 34.13 C ATOM 498 O ILE A 36 12.113 -28.867 -3.236 1.00 12.13 O ATOM 499 CB ILE A 36 14.507 -30.582 -2.788 1.00 21.24 C ATOM 500 CG1 ILE A 36 13.374 -31.516 -2.358 1.00 20.22 C ATOM 501 CG2 ILE A 36 15.851 -31.120 -2.319 1.00 31.02 C ATOM 502 CD1 ILE A 36 13.090 -32.619 -3.353 1.00 74.12 C ATOM 0 H ILE A 36 12.813 -29.121 -0.727 1.00 42.22 H new ATOM 0 HA ILE A 36 15.216 -28.619 -2.240 1.00 60.41 H new ATOM 0 HB ILE A 36 14.518 -30.531 -3.877 1.00 21.24 H new ATOM 0 HG12 ILE A 36 13.627 -31.962 -1.396 1.00 20.22 H new ATOM 0 HG13 ILE A 36 12.467 -30.930 -2.209 1.00 20.22 H new ATOM 0 HG21 ILE A 36 16.002 -32.122 -2.721 1.00 31.02 H new ATOM 0 HG22 ILE A 36 16.648 -30.464 -2.670 1.00 31.02 H new ATOM 0 HG23 ILE A 36 15.867 -31.160 -1.230 1.00 31.02 H new ATOM 0 HD11 ILE A 36 12.276 -33.242 -2.983 1.00 74.12 H new ATOM 0 HD12 ILE A 36 12.806 -32.181 -4.310 1.00 74.12 H new ATOM 0 HD13 ILE A 36 13.983 -33.230 -3.484 1.00 74.12 H new ATOM 514 N SER A 37 13.701 -27.354 -3.738 1.00 14.42 N ATOM 515 CA SER A 37 12.834 -26.572 -4.612 1.00 10.42 C ATOM 516 C SER A 37 13.657 -25.671 -5.528 1.00 13.53 C ATOM 517 O SER A 37 14.877 -25.805 -5.616 1.00 1.43 O ATOM 518 CB SER A 37 11.866 -25.727 -3.782 1.00 12.43 C ATOM 519 OG SER A 37 12.507 -24.572 -3.269 1.00 43.31 O ATOM 0 H SER A 37 14.651 -26.992 -3.652 1.00 14.42 H new ATOM 0 HA SER A 37 12.262 -27.264 -5.230 1.00 10.42 H new ATOM 0 HB2 SER A 37 11.016 -25.432 -4.398 1.00 12.43 H new ATOM 0 HB3 SER A 37 11.472 -26.323 -2.959 1.00 12.43 H new ATOM 0 HG SER A 37 11.866 -24.048 -2.744 1.00 43.31 H new ATOM 525 N SER A 38 12.979 -24.752 -6.208 1.00 54.22 N ATOM 526 CA SER A 38 13.645 -23.830 -7.121 1.00 32.21 C ATOM 527 C SER A 38 13.268 -22.386 -6.806 1.00 12.14 C ATOM 528 O SER A 38 12.163 -22.110 -6.336 1.00 45.31 O ATOM 529 CB SER A 38 13.279 -24.160 -8.569 1.00 62.14 C ATOM 530 OG SER A 38 14.371 -23.915 -9.439 1.00 55.14 O ATOM 0 H SER A 38 11.969 -24.626 -6.144 1.00 54.22 H new ATOM 0 HA SER A 38 14.721 -23.943 -6.991 1.00 32.21 H new ATOM 0 HB2 SER A 38 12.979 -25.205 -8.642 1.00 62.14 H new ATOM 0 HB3 SER A 38 12.423 -23.560 -8.877 1.00 62.14 H new ATOM 0 HG SER A 38 14.093 -24.074 -10.365 1.00 55.14 H new ATOM 536 N ILE A 39 14.193 -21.469 -7.067 1.00 62.02 N ATOM 537 CA ILE A 39 13.958 -20.053 -6.813 1.00 24.13 C ATOM 538 C ILE A 39 14.176 -19.224 -8.074 1.00 71.41 C ATOM 539 O ILE A 39 15.116 -19.462 -8.832 1.00 64.13 O ATOM 540 CB ILE A 39 14.878 -19.521 -5.698 1.00 23.43 C ATOM 541 CG1 ILE A 39 14.202 -19.672 -4.333 1.00 62.45 C ATOM 542 CG2 ILE A 39 15.239 -18.067 -5.958 1.00 4.42 C ATOM 543 CD1 ILE A 39 13.758 -21.087 -4.032 1.00 45.22 C ATOM 0 H ILE A 39 15.112 -21.681 -7.454 1.00 62.02 H new ATOM 0 HA ILE A 39 12.920 -19.958 -6.494 1.00 24.13 H new ATOM 0 HB ILE A 39 15.796 -20.108 -5.694 1.00 23.43 H new ATOM 0 HG12 ILE A 39 14.892 -19.343 -3.556 1.00 62.45 H new ATOM 0 HG13 ILE A 39 13.336 -19.011 -4.290 1.00 62.45 H new ATOM 0 HG21 ILE A 39 15.889 -17.706 -5.161 1.00 4.42 H new ATOM 0 HG22 ILE A 39 15.756 -17.986 -6.914 1.00 4.42 H new ATOM 0 HG23 ILE A 39 14.330 -17.466 -5.985 1.00 4.42 H new ATOM 0 HD11 ILE A 39 13.288 -21.119 -3.049 1.00 45.22 H new ATOM 0 HD12 ILE A 39 13.043 -21.412 -4.788 1.00 45.22 H new ATOM 0 HD13 ILE A 39 14.623 -21.750 -4.042 1.00 45.22 H new ATOM 555 N LYS A 40 13.301 -18.249 -8.293 1.00 11.35 N ATOM 556 CA LYS A 40 13.397 -17.381 -9.460 1.00 44.12 C ATOM 557 C LYS A 40 13.011 -15.948 -9.107 1.00 23.22 C ATOM 558 O LYS A 40 12.053 -15.717 -8.369 1.00 50.25 O ATOM 559 CB LYS A 40 12.497 -17.901 -10.583 1.00 42.34 C ATOM 560 CG LYS A 40 12.814 -17.302 -11.943 1.00 15.32 C ATOM 561 CD LYS A 40 11.556 -16.819 -12.646 1.00 11.34 C ATOM 562 CE LYS A 40 11.844 -16.403 -14.080 1.00 73.12 C ATOM 563 NZ LYS A 40 10.782 -16.867 -15.016 1.00 13.44 N ATOM 0 H LYS A 40 12.516 -18.040 -7.676 1.00 11.35 H new ATOM 0 HA LYS A 40 14.432 -17.386 -9.800 1.00 44.12 H new ATOM 0 HB2 LYS A 40 12.593 -18.985 -10.642 1.00 42.34 H new ATOM 0 HB3 LYS A 40 11.458 -17.686 -10.334 1.00 42.34 H new ATOM 0 HG2 LYS A 40 13.507 -16.469 -11.822 1.00 15.32 H new ATOM 0 HG3 LYS A 40 13.315 -18.047 -12.562 1.00 15.32 H new ATOM 0 HD2 LYS A 40 10.807 -17.611 -12.639 1.00 11.34 H new ATOM 0 HD3 LYS A 40 11.133 -15.976 -12.099 1.00 11.34 H new ATOM 0 HE2 LYS A 40 11.926 -15.317 -14.134 1.00 73.12 H new ATOM 0 HE3 LYS A 40 12.806 -16.811 -14.391 1.00 73.12 H new ATOM 0 HZ1 LYS A 40 11.015 -16.564 -15.983 1.00 13.44 H new ATOM 0 HZ2 LYS A 40 10.720 -17.905 -14.984 1.00 13.44 H new ATOM 0 HZ3 LYS A 40 9.868 -16.457 -14.735 1.00 13.44 H new ATOM 577 N VAL A 41 13.763 -14.989 -9.639 1.00 34.23 N ATOM 578 CA VAL A 41 13.497 -13.579 -9.381 1.00 41.23 C ATOM 579 C VAL A 41 13.518 -12.771 -10.674 1.00 43.10 C ATOM 580 O VAL A 41 14.365 -12.988 -11.541 1.00 53.14 O ATOM 581 CB VAL A 41 14.525 -12.984 -8.400 1.00 72.13 C ATOM 582 CG1 VAL A 41 15.940 -13.201 -8.913 1.00 23.21 C ATOM 583 CG2 VAL A 41 14.252 -11.505 -8.175 1.00 15.30 C ATOM 0 H VAL A 41 14.560 -15.163 -10.251 1.00 34.23 H new ATOM 0 HA VAL A 41 12.504 -13.520 -8.935 1.00 41.23 H new ATOM 0 HB VAL A 41 14.428 -13.498 -7.443 1.00 72.13 H new ATOM 0 HG11 VAL A 41 16.652 -12.774 -8.207 1.00 23.21 H new ATOM 0 HG12 VAL A 41 16.129 -14.269 -9.018 1.00 23.21 H new ATOM 0 HG13 VAL A 41 16.054 -12.715 -9.882 1.00 23.21 H new ATOM 0 HG21 VAL A 41 14.988 -11.101 -7.479 1.00 15.30 H new ATOM 0 HG22 VAL A 41 14.320 -10.974 -9.124 1.00 15.30 H new ATOM 0 HG23 VAL A 41 13.252 -11.379 -7.760 1.00 15.30 H new ATOM 593 N LYS A 42 12.581 -11.837 -10.797 1.00 3.12 N ATOM 594 CA LYS A 42 12.492 -10.993 -11.983 1.00 32.42 C ATOM 595 C LYS A 42 12.170 -9.552 -11.602 1.00 42.22 C ATOM 596 O LYS A 42 11.388 -8.882 -12.276 1.00 51.30 O ATOM 597 CB LYS A 42 11.423 -11.531 -12.937 1.00 15.14 C ATOM 598 CG LYS A 42 11.528 -10.973 -14.345 1.00 65.45 C ATOM 599 CD LYS A 42 11.988 -12.034 -15.332 1.00 0.02 C ATOM 600 CE LYS A 42 13.473 -12.328 -15.183 1.00 10.41 C ATOM 601 NZ LYS A 42 14.309 -11.352 -15.935 1.00 44.11 N ATOM 0 H LYS A 42 11.872 -11.645 -10.089 1.00 3.12 H new ATOM 0 HA LYS A 42 13.460 -11.010 -12.484 1.00 32.42 H new ATOM 0 HB2 LYS A 42 11.499 -12.618 -12.979 1.00 15.14 H new ATOM 0 HB3 LYS A 42 10.438 -11.296 -12.535 1.00 15.14 H new ATOM 0 HG2 LYS A 42 10.559 -10.581 -14.655 1.00 65.45 H new ATOM 0 HG3 LYS A 42 12.228 -10.137 -14.355 1.00 65.45 H new ATOM 0 HD2 LYS A 42 11.417 -12.949 -15.176 1.00 0.02 H new ATOM 0 HD3 LYS A 42 11.782 -11.700 -16.349 1.00 0.02 H new ATOM 0 HE2 LYS A 42 13.744 -12.302 -14.128 1.00 10.41 H new ATOM 0 HE3 LYS A 42 13.681 -13.336 -15.541 1.00 10.41 H new ATOM 0 HZ1 LYS A 42 15.314 -11.586 -15.808 1.00 44.11 H new ATOM 0 HZ2 LYS A 42 14.068 -11.395 -16.946 1.00 44.11 H new ATOM 0 HZ3 LYS A 42 14.129 -10.392 -15.577 1.00 44.11 H new ATOM 615 N SER A 43 12.780 -9.080 -10.519 1.00 71.32 N ATOM 616 CA SER A 43 12.556 -7.719 -10.048 1.00 3.50 C ATOM 617 C SER A 43 13.378 -7.436 -8.794 1.00 33.03 C ATOM 618 O SER A 43 13.223 -8.105 -7.773 1.00 64.41 O ATOM 619 CB SER A 43 11.071 -7.493 -9.760 1.00 32.40 C ATOM 620 OG SER A 43 10.612 -6.292 -10.355 1.00 4.43 O ATOM 0 H SER A 43 13.433 -9.620 -9.952 1.00 71.32 H new ATOM 0 HA SER A 43 12.874 -7.033 -10.833 1.00 3.50 H new ATOM 0 HB2 SER A 43 10.492 -8.335 -10.140 1.00 32.40 H new ATOM 0 HB3 SER A 43 10.908 -7.454 -8.683 1.00 32.40 H new ATOM 0 HG SER A 43 9.660 -6.172 -10.157 1.00 4.43 H new ATOM 626 N GLY A 44 14.252 -6.438 -8.879 1.00 24.22 N ATOM 627 CA GLY A 44 15.086 -6.084 -7.745 1.00 51.40 C ATOM 628 C GLY A 44 15.832 -7.275 -7.178 1.00 74.54 C ATOM 629 O GLY A 44 16.271 -8.154 -7.921 1.00 52.04 O ATOM 0 H GLY A 44 14.398 -5.868 -9.713 1.00 24.22 H new ATOM 0 HA2 GLY A 44 15.803 -5.322 -8.050 1.00 51.40 H new ATOM 0 HA3 GLY A 44 14.465 -5.644 -6.965 1.00 51.40 H new ATOM 633 N THR A 45 15.977 -7.307 -5.857 1.00 64.03 N ATOM 634 CA THR A 45 16.678 -8.398 -5.191 1.00 74.15 C ATOM 635 C THR A 45 16.071 -8.687 -3.823 1.00 3.51 C ATOM 636 O THR A 45 15.436 -7.821 -3.221 1.00 32.25 O ATOM 637 CB THR A 45 18.176 -8.083 -5.021 1.00 14.25 C ATOM 638 OG1 THR A 45 18.342 -6.937 -4.178 1.00 41.00 O ATOM 639 CG2 THR A 45 18.832 -7.827 -6.369 1.00 1.12 C ATOM 0 H THR A 45 15.618 -6.590 -5.227 1.00 64.03 H new ATOM 0 HA THR A 45 16.570 -9.277 -5.826 1.00 74.15 H new ATOM 0 HB THR A 45 18.657 -8.946 -4.560 1.00 14.25 H new ATOM 0 HG1 THR A 45 19.297 -6.744 -4.073 1.00 41.00 H new ATOM 0 HG21 THR A 45 19.889 -7.607 -6.223 1.00 1.12 H new ATOM 0 HG22 THR A 45 18.729 -8.711 -6.998 1.00 1.12 H new ATOM 0 HG23 THR A 45 18.348 -6.979 -6.854 1.00 1.12 H new ATOM 647 N TRP A 46 16.272 -9.906 -3.338 1.00 21.25 N ATOM 648 CA TRP A 46 15.745 -10.308 -2.038 1.00 52.13 C ATOM 649 C TRP A 46 16.856 -10.842 -1.142 1.00 20.44 C ATOM 650 O TRP A 46 17.978 -11.069 -1.596 1.00 13.13 O ATOM 651 CB TRP A 46 14.658 -11.370 -2.212 1.00 53.32 C ATOM 652 CG TRP A 46 13.731 -11.089 -3.357 1.00 23.44 C ATOM 653 CD1 TRP A 46 13.195 -9.881 -3.700 1.00 21.30 C ATOM 654 CD2 TRP A 46 13.231 -12.037 -4.306 1.00 62.12 C ATOM 655 NE1 TRP A 46 12.392 -10.021 -4.806 1.00 13.21 N ATOM 656 CE2 TRP A 46 12.398 -11.333 -5.198 1.00 32.44 C ATOM 657 CE3 TRP A 46 13.408 -13.411 -4.492 1.00 11.24 C ATOM 658 CZ2 TRP A 46 11.743 -11.959 -6.255 1.00 64.04 C ATOM 659 CZ3 TRP A 46 12.757 -14.030 -5.542 1.00 25.33 C ATOM 660 CH2 TRP A 46 11.934 -13.305 -6.413 1.00 42.22 C ATOM 0 H TRP A 46 16.796 -10.634 -3.824 1.00 21.25 H new ATOM 0 HA TRP A 46 15.311 -9.429 -1.562 1.00 52.13 H new ATOM 0 HB2 TRP A 46 15.130 -12.341 -2.365 1.00 53.32 H new ATOM 0 HB3 TRP A 46 14.077 -11.439 -1.292 1.00 53.32 H new ATOM 0 HD1 TRP A 46 13.376 -8.952 -3.179 1.00 21.30 H new ATOM 0 HE1 TRP A 46 11.875 -9.269 -5.262 1.00 13.21 H new ATOM 0 HE3 TRP A 46 14.042 -13.979 -3.827 1.00 11.24 H new ATOM 0 HZ2 TRP A 46 11.107 -11.402 -6.927 1.00 64.04 H new ATOM 0 HZ3 TRP A 46 12.885 -15.092 -5.694 1.00 25.33 H new ATOM 0 HH2 TRP A 46 11.440 -13.818 -7.225 1.00 42.22 H new ATOM 671 N ARG A 47 16.537 -11.042 0.133 1.00 24.31 N ATOM 672 CA ARG A 47 17.510 -11.550 1.093 1.00 1.43 C ATOM 673 C ARG A 47 17.138 -12.956 1.553 1.00 33.10 C ATOM 674 O ARG A 47 16.052 -13.178 2.090 1.00 4.15 O ATOM 675 CB ARG A 47 17.602 -10.615 2.301 1.00 42.54 C ATOM 676 CG ARG A 47 18.234 -9.269 1.982 1.00 32.22 C ATOM 677 CD ARG A 47 17.195 -8.159 1.954 1.00 2.25 C ATOM 678 NE ARG A 47 17.809 -6.837 1.858 1.00 63.32 N ATOM 679 CZ ARG A 47 18.354 -6.203 2.890 1.00 53.40 C ATOM 680 NH1 ARG A 47 18.361 -6.766 4.090 1.00 15.02 N ATOM 681 NH2 ARG A 47 18.893 -5.002 2.723 1.00 42.04 N ATOM 0 H ARG A 47 15.613 -10.860 0.525 1.00 24.31 H new ATOM 0 HA ARG A 47 18.481 -11.593 0.599 1.00 1.43 H new ATOM 0 HB2 ARG A 47 16.601 -10.452 2.700 1.00 42.54 H new ATOM 0 HB3 ARG A 47 18.182 -11.103 3.084 1.00 42.54 H new ATOM 0 HG2 ARG A 47 18.995 -9.038 2.727 1.00 32.22 H new ATOM 0 HG3 ARG A 47 18.738 -9.322 1.017 1.00 32.22 H new ATOM 0 HD2 ARG A 47 16.526 -8.310 1.107 1.00 2.25 H new ATOM 0 HD3 ARG A 47 16.585 -8.211 2.856 1.00 2.25 H new ATOM 0 HE ARG A 47 17.820 -6.375 0.948 1.00 63.32 H new ATOM 0 HH11 ARG A 47 17.947 -7.689 4.223 1.00 15.02 H new ATOM 0 HH12 ARG A 47 18.780 -6.277 4.881 1.00 15.02 H new ATOM 0 HH21 ARG A 47 18.889 -4.565 1.801 1.00 42.04 H new ATOM 0 HH22 ARG A 47 19.311 -4.516 3.516 1.00 42.04 H new ATOM 695 N PHE A 48 18.045 -13.903 1.337 1.00 33.04 N ATOM 696 CA PHE A 48 17.811 -15.288 1.728 1.00 62.50 C ATOM 697 C PHE A 48 18.768 -15.709 2.840 1.00 42.14 C ATOM 698 O PHE A 48 19.987 -15.678 2.669 1.00 62.42 O ATOM 699 CB PHE A 48 17.975 -16.215 0.521 1.00 34.24 C ATOM 700 CG PHE A 48 16.681 -16.522 -0.178 1.00 23.52 C ATOM 701 CD1 PHE A 48 15.850 -17.529 0.286 1.00 32.11 C ATOM 702 CD2 PHE A 48 16.297 -15.804 -1.299 1.00 32.43 C ATOM 703 CE1 PHE A 48 14.660 -17.814 -0.356 1.00 74.21 C ATOM 704 CE2 PHE A 48 15.108 -16.085 -1.945 1.00 15.22 C ATOM 705 CZ PHE A 48 14.287 -17.090 -1.472 1.00 64.51 C ATOM 0 H PHE A 48 18.948 -13.737 0.894 1.00 33.04 H new ATOM 0 HA PHE A 48 16.790 -15.366 2.102 1.00 62.50 H new ATOM 0 HB2 PHE A 48 18.663 -15.756 -0.189 1.00 34.24 H new ATOM 0 HB3 PHE A 48 18.432 -17.149 0.849 1.00 34.24 H new ATOM 0 HD1 PHE A 48 16.135 -18.097 1.159 1.00 32.11 H new ATOM 0 HD2 PHE A 48 16.934 -15.016 -1.672 1.00 32.43 H new ATOM 0 HE1 PHE A 48 14.022 -18.602 0.015 1.00 74.21 H new ATOM 0 HE2 PHE A 48 14.821 -15.519 -2.819 1.00 15.22 H new ATOM 0 HZ PHE A 48 13.356 -17.309 -1.973 1.00 64.51 H new ATOM 715 N TYR A 49 18.207 -16.100 3.978 1.00 21.22 N ATOM 716 CA TYR A 49 19.009 -16.524 5.120 1.00 44.14 C ATOM 717 C TYR A 49 18.379 -17.729 5.811 1.00 22.02 C ATOM 718 O TYR A 49 17.206 -17.703 6.180 1.00 55.45 O ATOM 719 CB TYR A 49 19.165 -15.374 6.116 1.00 54.42 C ATOM 720 CG TYR A 49 18.015 -14.392 6.091 1.00 34.23 C ATOM 721 CD1 TYR A 49 16.863 -14.623 6.834 1.00 1.30 C ATOM 722 CD2 TYR A 49 18.079 -13.235 5.325 1.00 60.10 C ATOM 723 CE1 TYR A 49 15.810 -13.729 6.814 1.00 34.33 C ATOM 724 CE2 TYR A 49 17.031 -12.335 5.300 1.00 21.44 C ATOM 725 CZ TYR A 49 15.899 -12.587 6.046 1.00 15.04 C ATOM 726 OH TYR A 49 14.852 -11.694 6.023 1.00 11.15 O ATOM 0 H TYR A 49 17.200 -16.132 4.135 1.00 21.22 H new ATOM 0 HA TYR A 49 19.994 -16.813 4.753 1.00 44.14 H new ATOM 0 HB2 TYR A 49 19.259 -15.785 7.121 1.00 54.42 H new ATOM 0 HB3 TYR A 49 20.091 -14.841 5.901 1.00 54.42 H new ATOM 0 HD1 TYR A 49 16.790 -15.516 7.437 1.00 1.30 H new ATOM 0 HD2 TYR A 49 18.964 -13.035 4.739 1.00 60.10 H new ATOM 0 HE1 TYR A 49 14.922 -13.923 7.397 1.00 34.33 H new ATOM 0 HE2 TYR A 49 17.098 -11.440 4.700 1.00 21.44 H new ATOM 0 HH TYR A 49 15.075 -10.943 5.434 1.00 11.15 H new ATOM 736 N GLU A 50 19.169 -18.784 5.984 1.00 64.00 N ATOM 737 CA GLU A 50 18.689 -19.999 6.631 1.00 22.31 C ATOM 738 C GLU A 50 19.149 -20.060 8.085 1.00 42.21 C ATOM 739 O GLU A 50 20.218 -20.590 8.387 1.00 24.25 O ATOM 740 CB GLU A 50 19.184 -21.235 5.876 1.00 32.14 C ATOM 741 CG GLU A 50 18.701 -21.303 4.437 1.00 21.03 C ATOM 742 CD GLU A 50 19.804 -21.685 3.469 1.00 3.34 C ATOM 743 OE1 GLU A 50 20.272 -22.841 3.530 1.00 73.32 O ATOM 744 OE2 GLU A 50 20.200 -20.828 2.652 1.00 2.42 O ATOM 0 H GLU A 50 20.144 -18.822 5.685 1.00 64.00 H new ATOM 0 HA GLU A 50 17.599 -19.983 6.613 1.00 22.31 H new ATOM 0 HB2 GLU A 50 20.274 -21.244 5.885 1.00 32.14 H new ATOM 0 HB3 GLU A 50 18.853 -22.129 6.404 1.00 32.14 H new ATOM 0 HG2 GLU A 50 17.891 -22.028 4.364 1.00 21.03 H new ATOM 0 HG3 GLU A 50 18.289 -20.335 4.150 1.00 21.03 H new ATOM 751 N TYR A 51 18.335 -19.512 8.980 1.00 73.30 N ATOM 752 CA TYR A 51 18.658 -19.501 10.402 1.00 44.44 C ATOM 753 C TYR A 51 17.678 -18.625 11.176 1.00 21.34 C ATOM 754 O TYR A 51 16.656 -18.195 10.641 1.00 43.42 O ATOM 755 CB TYR A 51 20.087 -18.999 10.617 1.00 43.13 C ATOM 756 CG TYR A 51 21.009 -20.036 11.217 1.00 64.24 C ATOM 757 CD1 TYR A 51 20.787 -20.537 12.493 1.00 2.13 C ATOM 758 CD2 TYR A 51 22.103 -20.516 10.506 1.00 74.42 C ATOM 759 CE1 TYR A 51 21.628 -21.484 13.045 1.00 34.05 C ATOM 760 CE2 TYR A 51 22.948 -21.465 11.049 1.00 15.44 C ATOM 761 CZ TYR A 51 22.706 -21.945 12.320 1.00 42.14 C ATOM 762 OH TYR A 51 23.545 -22.889 12.866 1.00 71.44 O ATOM 0 H TYR A 51 17.446 -19.069 8.746 1.00 73.30 H new ATOM 0 HA TYR A 51 18.578 -20.522 10.775 1.00 44.44 H new ATOM 0 HB2 TYR A 51 20.496 -18.671 9.661 1.00 43.13 H new ATOM 0 HB3 TYR A 51 20.062 -18.126 11.269 1.00 43.13 H new ATOM 0 HD1 TYR A 51 19.942 -20.180 13.064 1.00 2.13 H new ATOM 0 HD2 TYR A 51 22.296 -20.141 9.512 1.00 74.42 H new ATOM 0 HE1 TYR A 51 21.442 -21.861 14.040 1.00 34.05 H new ATOM 0 HE2 TYR A 51 23.792 -21.829 10.482 1.00 15.44 H new ATOM 0 HH TYR A 51 24.254 -23.107 12.225 1.00 71.44 H new ATOM 772 N ILE A 52 17.998 -18.366 12.440 1.00 75.22 N ATOM 773 CA ILE A 52 17.147 -17.541 13.289 1.00 70.14 C ATOM 774 C ILE A 52 17.081 -16.108 12.773 1.00 53.33 C ATOM 775 O ILE A 52 17.950 -15.667 12.023 1.00 41.45 O ATOM 776 CB ILE A 52 17.648 -17.528 14.745 1.00 70.12 C ATOM 777 CG1 ILE A 52 16.514 -17.136 15.694 1.00 53.11 C ATOM 778 CG2 ILE A 52 18.823 -16.573 14.892 1.00 22.21 C ATOM 779 CD1 ILE A 52 15.318 -18.059 15.621 1.00 70.54 C ATOM 0 H ILE A 52 18.840 -18.715 12.898 1.00 75.22 H new ATOM 0 HA ILE A 52 16.150 -17.981 13.260 1.00 70.14 H new ATOM 0 HB ILE A 52 17.985 -18.531 15.007 1.00 70.12 H new ATOM 0 HG12 ILE A 52 16.893 -17.126 16.716 1.00 53.11 H new ATOM 0 HG13 ILE A 52 16.193 -16.120 15.464 1.00 53.11 H new ATOM 0 HG21 ILE A 52 19.166 -16.575 15.927 1.00 22.21 H new ATOM 0 HG22 ILE A 52 19.636 -16.893 14.240 1.00 22.21 H new ATOM 0 HG23 ILE A 52 18.510 -15.566 14.615 1.00 22.21 H new ATOM 0 HD11 ILE A 52 14.554 -17.720 16.321 1.00 70.54 H new ATOM 0 HD12 ILE A 52 14.913 -18.051 14.609 1.00 70.54 H new ATOM 0 HD13 ILE A 52 15.624 -19.072 15.881 1.00 70.54 H new ATOM 791 N ASN A 53 16.043 -15.385 13.182 1.00 3.30 N ATOM 792 CA ASN A 53 15.864 -14.000 12.762 1.00 12.52 C ATOM 793 C ASN A 53 16.781 -13.069 13.550 1.00 34.15 C ATOM 794 O ASN A 53 16.354 -12.017 14.026 1.00 50.51 O ATOM 795 CB ASN A 53 14.406 -13.574 12.947 1.00 52.24 C ATOM 796 CG ASN A 53 13.437 -14.518 12.261 1.00 13.43 C ATOM 797 OD1 ASN A 53 13.709 -15.020 11.171 1.00 54.03 O ATOM 798 ND2 ASN A 53 12.298 -14.763 12.900 1.00 44.23 N ATOM 0 H ASN A 53 15.314 -15.735 13.803 1.00 3.30 H new ATOM 0 HA ASN A 53 16.125 -13.930 11.706 1.00 12.52 H new ATOM 0 HB2 ASN A 53 14.175 -13.531 14.011 1.00 52.24 H new ATOM 0 HB3 ASN A 53 14.271 -12.568 12.550 1.00 52.24 H new ATOM 0 HD21 ASN A 53 11.607 -15.390 12.488 1.00 44.23 H new ATOM 0 HD22 ASN A 53 12.115 -14.324 13.802 1.00 44.23 H new ATOM 805 N TYR A 54 18.042 -13.464 13.684 1.00 33.33 N ATOM 806 CA TYR A 54 19.019 -12.667 14.416 1.00 31.12 C ATOM 807 C TYR A 54 20.431 -12.926 13.899 1.00 74.31 C ATOM 808 O TYR A 54 21.416 -12.607 14.563 1.00 53.32 O ATOM 809 CB TYR A 54 18.946 -12.980 15.912 1.00 62.13 C ATOM 810 CG TYR A 54 17.580 -12.745 16.514 1.00 55.50 C ATOM 811 CD1 TYR A 54 17.117 -11.457 16.755 1.00 3.32 C ATOM 812 CD2 TYR A 54 16.750 -13.810 16.841 1.00 71.22 C ATOM 813 CE1 TYR A 54 15.870 -11.237 17.306 1.00 33.11 C ATOM 814 CE2 TYR A 54 15.500 -13.600 17.391 1.00 40.04 C ATOM 815 CZ TYR A 54 15.065 -12.312 17.622 1.00 53.32 C ATOM 816 OH TYR A 54 13.821 -12.097 18.169 1.00 34.13 O ATOM 0 H TYR A 54 18.412 -14.331 13.295 1.00 33.33 H new ATOM 0 HA TYR A 54 18.782 -11.615 14.260 1.00 31.12 H new ATOM 0 HB2 TYR A 54 19.230 -14.020 16.071 1.00 62.13 H new ATOM 0 HB3 TYR A 54 19.676 -12.366 16.439 1.00 62.13 H new ATOM 0 HD1 TYR A 54 17.744 -10.613 16.507 1.00 3.32 H new ATOM 0 HD2 TYR A 54 17.088 -14.820 16.662 1.00 71.22 H new ATOM 0 HE1 TYR A 54 15.527 -10.229 17.488 1.00 33.11 H new ATOM 0 HE2 TYR A 54 14.867 -14.440 17.639 1.00 40.04 H new ATOM 0 HH TYR A 54 13.382 -12.958 18.331 1.00 34.13 H new ATOM 826 N GLY A 55 20.520 -13.508 12.707 1.00 75.14 N ATOM 827 CA GLY A 55 21.814 -13.801 12.119 1.00 53.43 C ATOM 828 C GLY A 55 21.709 -14.707 10.908 1.00 40.51 C ATOM 829 O GLY A 55 21.089 -14.348 9.908 1.00 71.44 O ATOM 0 H GLY A 55 19.719 -13.782 12.138 1.00 75.14 H new ATOM 0 HA2 GLY A 55 22.298 -12.868 11.830 1.00 53.43 H new ATOM 0 HA3 GLY A 55 22.451 -14.272 12.867 1.00 53.43 H new ATOM 833 N GLY A 56 22.319 -15.885 10.997 1.00 2.44 N ATOM 834 CA GLY A 56 22.281 -16.825 9.893 1.00 24.41 C ATOM 835 C GLY A 56 23.132 -16.378 8.721 1.00 50.11 C ATOM 836 O GLY A 56 23.772 -15.327 8.775 1.00 75.33 O ATOM 0 H GLY A 56 22.839 -16.205 11.814 1.00 2.44 H new ATOM 0 HA2 GLY A 56 22.626 -17.800 10.238 1.00 24.41 H new ATOM 0 HA3 GLY A 56 21.250 -16.951 9.562 1.00 24.41 H new ATOM 840 N ARG A 57 23.141 -17.177 7.659 1.00 23.43 N ATOM 841 CA ARG A 57 23.922 -16.859 6.470 1.00 23.21 C ATOM 842 C ARG A 57 23.186 -15.855 5.589 1.00 53.34 C ATOM 843 O ARG A 57 22.187 -16.189 4.950 1.00 4.31 O ATOM 844 CB ARG A 57 24.219 -18.131 5.674 1.00 64.13 C ATOM 845 CG ARG A 57 24.836 -17.866 4.310 1.00 53.31 C ATOM 846 CD ARG A 57 23.896 -18.271 3.185 1.00 33.04 C ATOM 847 NE ARG A 57 24.621 -18.672 1.983 1.00 24.42 N ATOM 848 CZ ARG A 57 25.209 -19.855 1.840 1.00 4.12 C ATOM 849 NH1 ARG A 57 25.157 -20.748 2.819 1.00 1.30 N ATOM 850 NH2 ARG A 57 25.851 -20.147 0.716 1.00 50.41 N ATOM 0 H ARG A 57 22.616 -18.049 7.598 1.00 23.43 H new ATOM 0 HA ARG A 57 24.863 -16.412 6.792 1.00 23.21 H new ATOM 0 HB2 ARG A 57 24.894 -18.762 6.252 1.00 64.13 H new ATOM 0 HB3 ARG A 57 23.293 -18.691 5.542 1.00 64.13 H new ATOM 0 HG2 ARG A 57 25.079 -16.807 4.219 1.00 53.31 H new ATOM 0 HG3 ARG A 57 25.772 -18.417 4.220 1.00 53.31 H new ATOM 0 HD2 ARG A 57 23.265 -19.094 3.519 1.00 33.04 H new ATOM 0 HD3 ARG A 57 23.234 -17.438 2.948 1.00 33.04 H new ATOM 0 HE ARG A 57 24.679 -18.008 1.211 1.00 24.42 H new ATOM 0 HH11 ARG A 57 24.665 -20.528 3.685 1.00 1.30 H new ATOM 0 HH12 ARG A 57 25.609 -21.655 2.706 1.00 1.30 H new ATOM 0 HH21 ARG A 57 25.894 -19.463 -0.039 1.00 50.41 H new ATOM 0 HH22 ARG A 57 26.302 -21.055 0.607 1.00 50.41 H new ATOM 864 N TYR A 58 23.685 -14.624 5.559 1.00 34.03 N ATOM 865 CA TYR A 58 23.073 -13.570 4.759 1.00 74.11 C ATOM 866 C TYR A 58 23.450 -13.715 3.288 1.00 55.23 C ATOM 867 O TYR A 58 24.583 -13.437 2.896 1.00 61.41 O ATOM 868 CB TYR A 58 23.502 -12.195 5.274 1.00 33.20 C ATOM 869 CG TYR A 58 23.179 -11.065 4.324 1.00 55.44 C ATOM 870 CD1 TYR A 58 21.964 -11.022 3.650 1.00 22.40 C ATOM 871 CD2 TYR A 58 24.088 -10.038 4.100 1.00 14.30 C ATOM 872 CE1 TYR A 58 21.665 -9.992 2.780 1.00 2.33 C ATOM 873 CE2 TYR A 58 23.797 -9.002 3.233 1.00 34.21 C ATOM 874 CZ TYR A 58 22.584 -8.984 2.575 1.00 4.13 C ATOM 875 OH TYR A 58 22.290 -7.955 1.711 1.00 52.33 O ATOM 0 H TYR A 58 24.512 -14.332 6.080 1.00 34.03 H new ATOM 0 HA TYR A 58 21.991 -13.662 4.849 1.00 74.11 H new ATOM 0 HB2 TYR A 58 23.013 -12.006 6.230 1.00 33.20 H new ATOM 0 HB3 TYR A 58 24.576 -12.205 5.461 1.00 33.20 H new ATOM 0 HD1 TYR A 58 21.241 -11.808 3.810 1.00 22.40 H new ATOM 0 HD2 TYR A 58 25.039 -10.050 4.613 1.00 14.30 H new ATOM 0 HE1 TYR A 58 20.717 -9.976 2.263 1.00 2.33 H new ATOM 0 HE2 TYR A 58 24.515 -8.211 3.071 1.00 34.21 H new ATOM 0 HH TYR A 58 22.398 -8.263 0.787 1.00 52.33 H new ATOM 885 N TRP A 59 22.491 -14.150 2.479 1.00 73.24 N ATOM 886 CA TRP A 59 22.721 -14.332 1.050 1.00 54.43 C ATOM 887 C TRP A 59 21.531 -13.830 0.239 1.00 50.41 C ATOM 888 O TRP A 59 20.479 -14.468 0.203 1.00 71.01 O ATOM 889 CB TRP A 59 22.981 -15.806 0.737 1.00 32.13 C ATOM 890 CG TRP A 59 22.607 -16.192 -0.662 1.00 45.41 C ATOM 891 CD1 TRP A 59 23.205 -15.769 -1.816 1.00 34.35 C ATOM 892 CD2 TRP A 59 21.552 -17.075 -1.055 1.00 34.21 C ATOM 893 NE1 TRP A 59 22.583 -16.337 -2.902 1.00 24.23 N ATOM 894 CE2 TRP A 59 21.567 -17.143 -2.462 1.00 32.02 C ATOM 895 CE3 TRP A 59 20.596 -17.817 -0.355 1.00 63.22 C ATOM 896 CZ2 TRP A 59 20.663 -17.922 -3.179 1.00 32.10 C ATOM 897 CZ3 TRP A 59 19.700 -18.590 -1.068 1.00 54.35 C ATOM 898 CH2 TRP A 59 19.738 -18.638 -2.468 1.00 62.23 C ATOM 0 H TRP A 59 21.547 -14.383 2.788 1.00 73.24 H new ATOM 0 HA TRP A 59 23.599 -13.749 0.772 1.00 54.43 H new ATOM 0 HB2 TRP A 59 24.037 -16.023 0.896 1.00 32.13 H new ATOM 0 HB3 TRP A 59 22.420 -16.423 1.439 1.00 32.13 H new ATOM 0 HD1 TRP A 59 24.042 -15.089 -1.867 1.00 34.35 H new ATOM 0 HE1 TRP A 59 22.837 -16.183 -3.878 1.00 24.23 H new ATOM 0 HE3 TRP A 59 20.559 -17.786 0.724 1.00 63.22 H new ATOM 0 HZ2 TRP A 59 20.691 -17.960 -4.258 1.00 32.10 H new ATOM 0 HZ3 TRP A 59 18.957 -19.167 -0.537 1.00 54.35 H new ATOM 0 HH2 TRP A 59 19.024 -19.252 -2.996 1.00 62.23 H new ATOM 909 N ASP A 60 21.704 -12.684 -0.410 1.00 43.32 N ATOM 910 CA ASP A 60 20.644 -12.097 -1.222 1.00 45.11 C ATOM 911 C ASP A 60 20.644 -12.691 -2.627 1.00 70.21 C ATOM 912 O ASP A 60 21.658 -13.213 -3.093 1.00 2.35 O ATOM 913 CB ASP A 60 20.812 -10.578 -1.297 1.00 73.52 C ATOM 914 CG ASP A 60 22.242 -10.167 -1.588 1.00 74.22 C ATOM 915 OD1 ASP A 60 22.910 -10.863 -2.382 1.00 14.30 O ATOM 916 OD2 ASP A 60 22.692 -9.149 -1.023 1.00 24.32 O ATOM 0 H ASP A 60 22.568 -12.143 -0.390 1.00 43.32 H new ATOM 0 HA ASP A 60 19.689 -12.326 -0.750 1.00 45.11 H new ATOM 0 HB2 ASP A 60 20.158 -10.181 -2.073 1.00 73.52 H new ATOM 0 HB3 ASP A 60 20.494 -10.133 -0.354 1.00 73.52 H new ATOM 921 N LEU A 61 19.500 -12.610 -3.298 1.00 21.14 N ATOM 922 CA LEU A 61 19.367 -13.141 -4.650 1.00 13.11 C ATOM 923 C LEU A 61 19.236 -12.012 -5.668 1.00 24.25 C ATOM 924 O LEU A 61 18.483 -11.061 -5.462 1.00 64.21 O ATOM 925 CB LEU A 61 18.151 -14.066 -4.738 1.00 44.45 C ATOM 926 CG LEU A 61 17.555 -14.259 -6.133 1.00 41.32 C ATOM 927 CD1 LEU A 61 18.559 -14.936 -7.054 1.00 14.33 C ATOM 928 CD2 LEU A 61 16.269 -15.068 -6.056 1.00 31.21 C ATOM 0 H LEU A 61 18.651 -12.182 -2.928 1.00 21.14 H new ATOM 0 HA LEU A 61 20.267 -13.711 -4.881 1.00 13.11 H new ATOM 0 HB2 LEU A 61 18.434 -15.043 -4.347 1.00 44.45 H new ATOM 0 HB3 LEU A 61 17.373 -13.674 -4.083 1.00 44.45 H new ATOM 0 HG LEU A 61 17.319 -13.278 -6.545 1.00 41.32 H new ATOM 0 HD11 LEU A 61 18.117 -15.065 -8.042 1.00 14.33 H new ATOM 0 HD12 LEU A 61 19.453 -14.318 -7.134 1.00 14.33 H new ATOM 0 HD13 LEU A 61 18.827 -15.911 -6.646 1.00 14.33 H new ATOM 0 HD21 LEU A 61 15.859 -15.195 -7.058 1.00 31.21 H new ATOM 0 HD22 LEU A 61 16.480 -16.046 -5.623 1.00 31.21 H new ATOM 0 HD23 LEU A 61 15.546 -14.543 -5.432 1.00 31.21 H new ATOM 940 N GLY A 62 19.975 -12.126 -6.768 1.00 15.33 N ATOM 941 CA GLY A 62 19.925 -11.109 -7.802 1.00 64.12 C ATOM 942 C GLY A 62 19.251 -11.601 -9.067 1.00 74.21 C ATOM 943 O GLY A 62 18.785 -12.738 -9.146 1.00 21.32 O ATOM 0 H GLY A 62 20.606 -12.903 -6.961 1.00 15.33 H new ATOM 0 HA2 GLY A 62 19.390 -10.237 -7.424 1.00 64.12 H new ATOM 0 HA3 GLY A 62 20.939 -10.784 -8.037 1.00 64.12 H new ATOM 947 N PRO A 63 19.189 -10.732 -10.086 1.00 43.45 N ATOM 948 CA PRO A 63 18.567 -11.061 -11.372 1.00 70.51 C ATOM 949 C PRO A 63 19.035 -12.408 -11.914 1.00 52.21 C ATOM 950 O PRO A 63 20.117 -12.514 -12.489 1.00 62.22 O ATOM 951 CB PRO A 63 19.027 -9.926 -12.290 1.00 73.43 C ATOM 952 CG PRO A 63 19.286 -8.780 -11.375 1.00 14.10 C ATOM 953 CD PRO A 63 19.723 -9.360 -10.063 1.00 5.42 C ATOM 0 HA PRO A 63 17.484 -11.148 -11.290 1.00 70.51 H new ATOM 0 HB2 PRO A 63 19.925 -10.203 -12.842 1.00 73.43 H new ATOM 0 HB3 PRO A 63 18.263 -9.679 -13.027 1.00 73.43 H new ATOM 0 HG2 PRO A 63 20.056 -8.126 -11.784 1.00 14.10 H new ATOM 0 HG3 PRO A 63 18.388 -8.175 -11.250 1.00 14.10 H new ATOM 0 HD2 PRO A 63 20.809 -9.356 -9.966 1.00 5.42 H new ATOM 0 HD3 PRO A 63 19.326 -8.791 -9.223 1.00 5.42 H new ATOM 961 N GLY A 64 18.211 -13.435 -11.727 1.00 42.30 N ATOM 962 CA GLY A 64 18.559 -14.761 -12.204 1.00 14.34 C ATOM 963 C GLY A 64 17.856 -15.858 -11.428 1.00 43.25 C ATOM 964 O GLY A 64 17.305 -15.613 -10.356 1.00 5.02 O ATOM 0 H GLY A 64 17.309 -13.372 -11.254 1.00 42.30 H new ATOM 0 HA2 GLY A 64 18.301 -14.844 -13.260 1.00 14.34 H new ATOM 0 HA3 GLY A 64 19.637 -14.900 -12.128 1.00 14.34 H new ATOM 968 N GLU A 65 17.874 -17.070 -11.974 1.00 24.24 N ATOM 969 CA GLU A 65 17.232 -18.208 -11.326 1.00 53.22 C ATOM 970 C GLU A 65 18.227 -18.976 -10.462 1.00 5.22 C ATOM 971 O GLU A 65 19.439 -18.794 -10.581 1.00 44.21 O ATOM 972 CB GLU A 65 16.622 -19.142 -12.374 1.00 5.11 C ATOM 973 CG GLU A 65 15.376 -19.865 -11.893 1.00 30.42 C ATOM 974 CD GLU A 65 14.752 -20.732 -12.970 1.00 24.14 C ATOM 975 OE1 GLU A 65 14.976 -20.447 -14.165 1.00 34.24 O ATOM 976 OE2 GLU A 65 14.041 -21.696 -12.616 1.00 40.03 O ATOM 0 H GLU A 65 18.325 -17.289 -12.862 1.00 24.24 H new ATOM 0 HA GLU A 65 16.439 -17.827 -10.683 1.00 53.22 H new ATOM 0 HB2 GLU A 65 16.375 -18.564 -13.264 1.00 5.11 H new ATOM 0 HB3 GLU A 65 17.368 -19.879 -12.670 1.00 5.11 H new ATOM 0 HG2 GLU A 65 15.630 -20.486 -11.034 1.00 30.42 H new ATOM 0 HG3 GLU A 65 14.644 -19.133 -11.552 1.00 30.42 H new ATOM 983 N TYR A 66 17.707 -19.834 -9.592 1.00 4.05 N ATOM 984 CA TYR A 66 18.549 -20.628 -8.704 1.00 44.25 C ATOM 985 C TYR A 66 17.791 -21.841 -8.175 1.00 62.44 C ATOM 986 O TYR A 66 16.934 -21.719 -7.301 1.00 13.11 O ATOM 987 CB TYR A 66 19.044 -19.773 -7.537 1.00 5.13 C ATOM 988 CG TYR A 66 19.778 -20.563 -6.476 1.00 55.21 C ATOM 989 CD1 TYR A 66 20.948 -21.248 -6.778 1.00 3.25 C ATOM 990 CD2 TYR A 66 19.299 -20.625 -5.173 1.00 62.12 C ATOM 991 CE1 TYR A 66 21.621 -21.971 -5.812 1.00 63.40 C ATOM 992 CE2 TYR A 66 19.966 -21.345 -4.201 1.00 42.11 C ATOM 993 CZ TYR A 66 21.127 -22.016 -4.525 1.00 74.43 C ATOM 994 OH TYR A 66 21.793 -22.736 -3.560 1.00 42.20 O ATOM 0 H TYR A 66 16.706 -19.998 -9.482 1.00 4.05 H new ATOM 0 HA TYR A 66 19.407 -20.980 -9.277 1.00 44.25 H new ATOM 0 HB2 TYR A 66 19.705 -18.996 -7.921 1.00 5.13 H new ATOM 0 HB3 TYR A 66 18.192 -19.270 -7.079 1.00 5.13 H new ATOM 0 HD1 TYR A 66 21.338 -21.215 -7.785 1.00 3.25 H new ATOM 0 HD2 TYR A 66 18.390 -20.101 -4.916 1.00 62.12 H new ATOM 0 HE1 TYR A 66 22.529 -22.498 -6.063 1.00 63.40 H new ATOM 0 HE2 TYR A 66 19.581 -21.382 -3.193 1.00 42.11 H new ATOM 0 HH TYR A 66 21.313 -22.663 -2.708 1.00 42.20 H new ATOM 1004 N SER A 67 18.115 -23.013 -8.712 1.00 71.45 N ATOM 1005 CA SER A 67 17.463 -24.250 -8.298 1.00 23.31 C ATOM 1006 C SER A 67 18.297 -24.978 -7.248 1.00 64.32 C ATOM 1007 O SER A 67 19.164 -25.788 -7.580 1.00 15.24 O ATOM 1008 CB SER A 67 17.235 -25.161 -9.506 1.00 20.02 C ATOM 1009 OG SER A 67 16.723 -24.430 -10.606 1.00 44.45 O ATOM 0 H SER A 67 18.825 -23.132 -9.435 1.00 71.45 H new ATOM 0 HA SER A 67 16.499 -23.994 -7.858 1.00 23.31 H new ATOM 0 HB2 SER A 67 18.174 -25.638 -9.788 1.00 20.02 H new ATOM 0 HB3 SER A 67 16.540 -25.957 -9.239 1.00 20.02 H new ATOM 0 HG SER A 67 15.856 -24.041 -10.365 1.00 44.45 H new ATOM 1015 N SER A 68 18.029 -24.684 -5.980 1.00 44.20 N ATOM 1016 CA SER A 68 18.757 -25.307 -4.880 1.00 50.44 C ATOM 1017 C SER A 68 18.135 -26.649 -4.509 1.00 62.52 C ATOM 1018 O SER A 68 16.921 -26.759 -4.341 1.00 75.24 O ATOM 1019 CB SER A 68 18.769 -24.383 -3.661 1.00 1.20 C ATOM 1020 OG SER A 68 17.871 -23.300 -3.832 1.00 72.33 O ATOM 0 H SER A 68 17.313 -24.018 -5.688 1.00 44.20 H new ATOM 0 HA SER A 68 19.783 -25.479 -5.206 1.00 50.44 H new ATOM 0 HB2 SER A 68 18.496 -24.948 -2.770 1.00 1.20 H new ATOM 0 HB3 SER A 68 19.777 -24.001 -3.500 1.00 1.20 H new ATOM 0 HG SER A 68 18.315 -22.582 -4.329 1.00 72.33 H new ATOM 1026 N VAL A 69 18.978 -27.670 -4.382 1.00 52.24 N ATOM 1027 CA VAL A 69 18.513 -29.006 -4.030 1.00 52.01 C ATOM 1028 C VAL A 69 19.578 -29.772 -3.254 1.00 44.20 C ATOM 1029 O VAL A 69 19.531 -30.998 -3.161 1.00 40.23 O ATOM 1030 CB VAL A 69 18.126 -29.814 -5.283 1.00 34.12 C ATOM 1031 CG1 VAL A 69 17.029 -29.102 -6.060 1.00 34.23 C ATOM 1032 CG2 VAL A 69 19.345 -30.051 -6.161 1.00 53.24 C ATOM 0 H VAL A 69 19.986 -27.597 -4.518 1.00 52.24 H new ATOM 0 HA VAL A 69 17.631 -28.879 -3.402 1.00 52.01 H new ATOM 0 HB VAL A 69 17.742 -30.783 -4.965 1.00 34.12 H new ATOM 0 HG11 VAL A 69 16.769 -29.688 -6.942 1.00 34.23 H new ATOM 0 HG12 VAL A 69 16.149 -28.989 -5.427 1.00 34.23 H new ATOM 0 HG13 VAL A 69 17.382 -28.118 -6.369 1.00 34.23 H new ATOM 0 HG21 VAL A 69 19.053 -30.623 -7.042 1.00 53.24 H new ATOM 0 HG22 VAL A 69 19.761 -29.093 -6.472 1.00 53.24 H new ATOM 0 HG23 VAL A 69 20.096 -30.607 -5.599 1.00 53.24 H new ATOM 1042 N GLU A 70 20.538 -29.040 -2.698 1.00 5.42 N ATOM 1043 CA GLU A 70 21.616 -29.651 -1.929 1.00 65.05 C ATOM 1044 C GLU A 70 22.665 -28.612 -1.541 1.00 73.30 C ATOM 1045 O GLU A 70 23.479 -28.841 -0.647 1.00 20.03 O ATOM 1046 CB GLU A 70 22.271 -30.776 -2.734 1.00 21.24 C ATOM 1047 CG GLU A 70 22.464 -30.442 -4.203 1.00 51.41 C ATOM 1048 CD GLU A 70 23.847 -30.804 -4.707 1.00 44.33 C ATOM 1049 OE1 GLU A 70 24.075 -31.992 -5.014 1.00 64.33 O ATOM 1050 OE2 GLU A 70 24.702 -29.897 -4.795 1.00 21.21 O ATOM 0 H GLU A 70 20.591 -28.024 -2.766 1.00 5.42 H new ATOM 0 HA GLU A 70 21.187 -30.067 -1.017 1.00 65.05 H new ATOM 0 HB2 GLU A 70 23.240 -31.010 -2.293 1.00 21.24 H new ATOM 0 HB3 GLU A 70 21.659 -31.674 -2.652 1.00 21.24 H new ATOM 0 HG2 GLU A 70 21.716 -30.972 -4.793 1.00 51.41 H new ATOM 0 HG3 GLU A 70 22.294 -29.376 -4.355 1.00 51.41 H new ATOM 1057 N SER A 71 22.638 -27.470 -2.221 1.00 32.34 N ATOM 1058 CA SER A 71 23.588 -26.397 -1.950 1.00 71.55 C ATOM 1059 C SER A 71 23.134 -25.557 -0.761 1.00 3.12 C ATOM 1060 O SER A 71 23.907 -25.300 0.162 1.00 34.33 O ATOM 1061 CB SER A 71 23.750 -25.509 -3.185 1.00 43.30 C ATOM 1062 OG SER A 71 24.846 -25.932 -3.978 1.00 31.32 O ATOM 0 H SER A 71 21.969 -27.264 -2.963 1.00 32.34 H new ATOM 0 HA SER A 71 24.550 -26.848 -1.707 1.00 71.55 H new ATOM 0 HB2 SER A 71 22.836 -25.536 -3.778 1.00 43.30 H new ATOM 0 HB3 SER A 71 23.899 -24.474 -2.876 1.00 43.30 H new ATOM 0 HG SER A 71 24.927 -25.349 -4.762 1.00 31.32 H new ATOM 1068 N ALA A 72 21.876 -25.131 -0.791 1.00 33.12 N ATOM 1069 CA ALA A 72 21.317 -24.321 0.285 1.00 64.31 C ATOM 1070 C ALA A 72 21.561 -24.970 1.643 1.00 11.14 C ATOM 1071 O ALA A 72 22.359 -24.481 2.441 1.00 3.14 O ATOM 1072 CB ALA A 72 19.828 -24.102 0.062 1.00 44.20 C ATOM 0 H ALA A 72 21.224 -25.333 -1.549 1.00 33.12 H new ATOM 0 HA ALA A 72 21.820 -23.354 0.278 1.00 64.31 H new ATOM 0 HB1 ALA A 72 19.424 -23.496 0.873 1.00 44.20 H new ATOM 0 HB2 ALA A 72 19.674 -23.588 -0.887 1.00 44.20 H new ATOM 0 HB3 ALA A 72 19.318 -25.065 0.040 1.00 44.20 H new ATOM 1078 N GLY A 73 20.866 -26.074 1.900 1.00 22.31 N ATOM 1079 CA GLY A 73 21.021 -26.771 3.164 1.00 72.14 C ATOM 1080 C GLY A 73 20.025 -27.902 3.328 1.00 51.12 C ATOM 1081 O GLY A 73 18.814 -27.678 3.315 1.00 61.14 O ATOM 0 H GLY A 73 20.199 -26.498 1.256 1.00 22.31 H new ATOM 0 HA2 GLY A 73 22.033 -27.169 3.234 1.00 72.14 H new ATOM 0 HA3 GLY A 73 20.900 -26.062 3.983 1.00 72.14 H new ATOM 1085 N ILE A 74 20.535 -29.119 3.481 1.00 34.42 N ATOM 1086 CA ILE A 74 19.681 -30.289 3.648 1.00 52.12 C ATOM 1087 C ILE A 74 20.108 -31.113 4.857 1.00 32.44 C ATOM 1088 O ILE A 74 20.582 -32.243 4.734 1.00 33.00 O ATOM 1089 CB ILE A 74 19.704 -31.185 2.396 1.00 75.53 C ATOM 1090 CG1 ILE A 74 19.777 -30.329 1.130 1.00 60.12 C ATOM 1091 CG2 ILE A 74 18.475 -32.083 2.364 1.00 2.43 C ATOM 1092 CD1 ILE A 74 18.617 -29.370 0.981 1.00 11.10 C ATOM 0 H ILE A 74 21.535 -29.321 3.493 1.00 34.42 H new ATOM 0 HA ILE A 74 18.667 -29.920 3.803 1.00 52.12 H new ATOM 0 HB ILE A 74 20.591 -31.817 2.437 1.00 75.53 H new ATOM 0 HG12 ILE A 74 20.708 -29.762 1.138 1.00 60.12 H new ATOM 0 HG13 ILE A 74 19.810 -30.984 0.260 1.00 60.12 H new ATOM 0 HG21 ILE A 74 18.506 -32.710 1.473 1.00 2.43 H new ATOM 0 HG22 ILE A 74 18.463 -32.715 3.252 1.00 2.43 H new ATOM 0 HG23 ILE A 74 17.575 -31.468 2.344 1.00 2.43 H new ATOM 0 HD11 ILE A 74 18.735 -28.796 0.062 1.00 11.10 H new ATOM 0 HD12 ILE A 74 17.684 -29.931 0.941 1.00 11.10 H new ATOM 0 HD13 ILE A 74 18.595 -28.690 1.833 1.00 11.10 H new ATOM 1104 N PRO A 75 19.935 -30.538 6.057 1.00 41.25 N ATOM 1105 CA PRO A 75 20.294 -31.203 7.313 1.00 50.42 C ATOM 1106 C PRO A 75 19.221 -32.181 7.778 1.00 12.11 C ATOM 1107 O PRO A 75 19.424 -33.395 7.759 1.00 0.05 O ATOM 1108 CB PRO A 75 20.426 -30.043 8.303 1.00 53.31 C ATOM 1109 CG PRO A 75 19.640 -28.934 7.694 1.00 55.53 C ATOM 1110 CD PRO A 75 19.376 -29.194 6.278 1.00 12.24 C ATOM 0 HA PRO A 75 21.200 -31.801 7.213 1.00 50.42 H new ATOM 0 HB2 PRO A 75 20.035 -30.313 9.284 1.00 53.31 H new ATOM 0 HB3 PRO A 75 21.469 -29.759 8.443 1.00 53.31 H new ATOM 0 HG2 PRO A 75 18.697 -28.816 8.228 1.00 55.53 H new ATOM 0 HG3 PRO A 75 20.185 -27.996 7.800 1.00 55.53 H new ATOM 0 HD2 PRO A 75 18.309 -29.164 6.058 1.00 12.24 H new ATOM 0 HD3 PRO A 75 19.855 -28.452 5.639 1.00 12.24 H new ATOM 1118 N ASP A 76 18.079 -31.645 8.194 1.00 12.14 N ATOM 1119 CA ASP A 76 16.972 -32.471 8.663 1.00 25.32 C ATOM 1120 C ASP A 76 15.795 -31.606 9.101 1.00 3.45 C ATOM 1121 O ASP A 76 14.640 -31.928 8.829 1.00 71.10 O ATOM 1122 CB ASP A 76 17.427 -33.360 9.822 1.00 61.11 C ATOM 1123 CG ASP A 76 16.262 -33.912 10.620 1.00 62.23 C ATOM 1124 OD1 ASP A 76 15.518 -34.756 10.077 1.00 22.34 O ATOM 1125 OD2 ASP A 76 16.095 -33.501 11.787 1.00 51.13 O ATOM 0 H ASP A 76 17.895 -30.642 8.216 1.00 12.14 H new ATOM 0 HA ASP A 76 16.647 -33.103 7.836 1.00 25.32 H new ATOM 0 HB2 ASP A 76 18.020 -34.187 9.431 1.00 61.11 H new ATOM 0 HB3 ASP A 76 18.077 -32.786 10.483 1.00 61.11 H new ATOM 1130 N ASN A 77 16.098 -30.505 9.783 1.00 72.31 N ATOM 1131 CA ASN A 77 15.064 -29.594 10.261 1.00 44.24 C ATOM 1132 C ASN A 77 15.684 -28.376 10.939 1.00 25.11 C ATOM 1133 O ASN A 77 16.213 -28.472 12.047 1.00 52.32 O ATOM 1134 CB ASN A 77 14.131 -30.314 11.235 1.00 35.22 C ATOM 1135 CG ASN A 77 13.183 -29.362 11.939 1.00 50.12 C ATOM 1136 OD1 ASN A 77 12.740 -28.369 11.361 1.00 64.12 O ATOM 1137 ND2 ASN A 77 12.867 -29.661 13.194 1.00 64.05 N ATOM 0 H ASN A 77 17.050 -30.223 10.017 1.00 72.31 H new ATOM 0 HA ASN A 77 14.487 -29.255 9.400 1.00 44.24 H new ATOM 0 HB2 ASN A 77 13.553 -31.063 10.694 1.00 35.22 H new ATOM 0 HB3 ASN A 77 14.726 -30.845 11.978 1.00 35.22 H new ATOM 0 HD21 ASN A 77 12.234 -29.057 13.718 1.00 64.05 H new ATOM 0 HD22 ASN A 77 13.258 -30.494 13.634 1.00 64.05 H new ATOM 1144 N SER A 78 15.615 -27.232 10.267 1.00 44.44 N ATOM 1145 CA SER A 78 16.173 -25.995 10.803 1.00 74.24 C ATOM 1146 C SER A 78 15.264 -24.810 10.491 1.00 33.03 C ATOM 1147 O SER A 78 14.135 -24.984 10.031 1.00 12.23 O ATOM 1148 CB SER A 78 17.568 -25.748 10.226 1.00 11.30 C ATOM 1149 OG SER A 78 18.311 -26.952 10.153 1.00 32.34 O ATOM 0 H SER A 78 15.178 -27.135 9.350 1.00 44.44 H new ATOM 0 HA SER A 78 16.249 -26.098 11.885 1.00 74.24 H new ATOM 0 HB2 SER A 78 17.481 -25.310 9.232 1.00 11.30 H new ATOM 0 HB3 SER A 78 18.099 -25.027 10.847 1.00 11.30 H new ATOM 0 HG SER A 78 19.198 -26.767 9.780 1.00 32.34 H new ATOM 1155 N ILE A 79 15.764 -23.606 10.746 1.00 45.14 N ATOM 1156 CA ILE A 79 14.999 -22.392 10.492 1.00 41.41 C ATOM 1157 C ILE A 79 15.523 -21.658 9.262 1.00 24.11 C ATOM 1158 O ILE A 79 16.710 -21.729 8.944 1.00 44.52 O ATOM 1159 CB ILE A 79 15.039 -21.438 11.701 1.00 43.15 C ATOM 1160 CG1 ILE A 79 14.718 -22.198 12.989 1.00 74.33 C ATOM 1161 CG2 ILE A 79 14.064 -20.288 11.500 1.00 12.33 C ATOM 1162 CD1 ILE A 79 15.939 -22.769 13.674 1.00 20.43 C ATOM 0 H ILE A 79 16.696 -23.445 11.128 1.00 45.14 H new ATOM 0 HA ILE A 79 13.968 -22.700 10.316 1.00 41.41 H new ATOM 0 HB ILE A 79 16.044 -21.025 11.787 1.00 43.15 H new ATOM 0 HG12 ILE A 79 14.205 -21.528 13.678 1.00 74.33 H new ATOM 0 HG13 ILE A 79 14.027 -23.009 12.760 1.00 74.33 H new ATOM 0 HG21 ILE A 79 14.104 -19.622 12.362 1.00 12.33 H new ATOM 0 HG22 ILE A 79 14.335 -19.734 10.601 1.00 12.33 H new ATOM 0 HG23 ILE A 79 13.054 -20.682 11.392 1.00 12.33 H new ATOM 0 HD11 ILE A 79 15.636 -23.294 14.580 1.00 20.43 H new ATOM 0 HD12 ILE A 79 16.441 -23.465 13.002 1.00 20.43 H new ATOM 0 HD13 ILE A 79 16.621 -21.960 13.935 1.00 20.43 H new ATOM 1174 N SER A 80 14.631 -20.953 8.575 1.00 14.41 N ATOM 1175 CA SER A 80 15.003 -20.207 7.379 1.00 55.15 C ATOM 1176 C SER A 80 13.907 -19.217 6.993 1.00 62.32 C ATOM 1177 O SER A 80 12.721 -19.478 7.194 1.00 41.13 O ATOM 1178 CB SER A 80 15.271 -21.166 6.217 1.00 3.12 C ATOM 1179 OG SER A 80 14.284 -22.181 6.155 1.00 5.03 O ATOM 0 H SER A 80 13.645 -20.883 8.826 1.00 14.41 H new ATOM 0 HA SER A 80 15.913 -19.648 7.598 1.00 55.15 H new ATOM 0 HB2 SER A 80 15.285 -20.611 5.279 1.00 3.12 H new ATOM 0 HB3 SER A 80 16.256 -21.619 6.335 1.00 3.12 H new ATOM 0 HG SER A 80 14.477 -22.779 5.403 1.00 5.03 H new ATOM 1185 N SER A 81 14.314 -18.080 6.437 1.00 24.54 N ATOM 1186 CA SER A 81 13.369 -17.049 6.026 1.00 1.04 C ATOM 1187 C SER A 81 14.002 -16.107 5.007 1.00 4.21 C ATOM 1188 O SER A 81 15.226 -16.007 4.913 1.00 11.01 O ATOM 1189 CB SER A 81 12.888 -16.255 7.242 1.00 1.41 C ATOM 1190 OG SER A 81 11.500 -15.984 7.158 1.00 74.03 O ATOM 0 H SER A 81 15.292 -17.850 6.261 1.00 24.54 H new ATOM 0 HA SER A 81 12.514 -17.539 5.560 1.00 1.04 H new ATOM 0 HB2 SER A 81 13.098 -16.816 8.153 1.00 1.41 H new ATOM 0 HB3 SER A 81 13.441 -15.318 7.310 1.00 1.41 H new ATOM 0 HG SER A 81 11.217 -15.477 7.948 1.00 74.03 H new ATOM 1196 N PHE A 82 13.160 -15.417 4.245 1.00 30.11 N ATOM 1197 CA PHE A 82 13.636 -14.483 3.231 1.00 33.03 C ATOM 1198 C PHE A 82 12.634 -13.352 3.021 1.00 54.20 C ATOM 1199 O PHE A 82 11.428 -13.584 2.936 1.00 74.42 O ATOM 1200 CB PHE A 82 13.882 -15.214 1.910 1.00 40.33 C ATOM 1201 CG PHE A 82 12.620 -15.635 1.214 1.00 74.44 C ATOM 1202 CD1 PHE A 82 11.765 -16.556 1.798 1.00 12.14 C ATOM 1203 CD2 PHE A 82 12.287 -15.111 -0.025 1.00 45.00 C ATOM 1204 CE1 PHE A 82 10.603 -16.946 1.160 1.00 61.15 C ATOM 1205 CE2 PHE A 82 11.127 -15.497 -0.669 1.00 33.25 C ATOM 1206 CZ PHE A 82 10.283 -16.415 -0.075 1.00 30.32 C ATOM 0 H PHE A 82 12.144 -15.487 4.310 1.00 30.11 H new ATOM 0 HA PHE A 82 14.575 -14.053 3.580 1.00 33.03 H new ATOM 0 HB2 PHE A 82 14.454 -14.566 1.246 1.00 40.33 H new ATOM 0 HB3 PHE A 82 14.494 -16.096 2.100 1.00 40.33 H new ATOM 0 HD1 PHE A 82 12.010 -16.974 2.763 1.00 12.14 H new ATOM 0 HD2 PHE A 82 12.943 -14.392 -0.493 1.00 45.00 H new ATOM 0 HE1 PHE A 82 9.946 -17.665 1.626 1.00 61.15 H new ATOM 0 HE2 PHE A 82 10.881 -15.082 -1.635 1.00 33.25 H new ATOM 0 HZ PHE A 82 9.375 -16.717 -0.575 1.00 30.32 H new ATOM 1216 N ARG A 83 13.142 -12.127 2.939 1.00 50.43 N ATOM 1217 CA ARG A 83 12.292 -10.959 2.740 1.00 4.43 C ATOM 1218 C ARG A 83 12.074 -10.691 1.254 1.00 63.21 C ATOM 1219 O ARG A 83 13.028 -10.475 0.507 1.00 52.04 O ATOM 1220 CB ARG A 83 12.915 -9.729 3.404 1.00 25.55 C ATOM 1221 CG ARG A 83 12.735 -9.695 4.913 1.00 23.53 C ATOM 1222 CD ARG A 83 11.527 -8.863 5.311 1.00 11.54 C ATOM 1223 NE ARG A 83 10.333 -9.683 5.497 1.00 24.52 N ATOM 1224 CZ ARG A 83 9.101 -9.189 5.542 1.00 62.44 C ATOM 1225 NH1 ARG A 83 8.901 -7.885 5.414 1.00 44.13 N ATOM 1226 NH2 ARG A 83 8.066 -10.001 5.714 1.00 55.14 N ATOM 0 H ARG A 83 14.138 -11.917 3.007 1.00 50.43 H new ATOM 0 HA ARG A 83 11.325 -11.163 3.201 1.00 4.43 H new ATOM 0 HB2 ARG A 83 13.980 -9.702 3.173 1.00 25.55 H new ATOM 0 HB3 ARG A 83 12.472 -8.831 2.973 1.00 25.55 H new ATOM 0 HG2 ARG A 83 12.618 -10.711 5.290 1.00 23.53 H new ATOM 0 HG3 ARG A 83 13.631 -9.284 5.378 1.00 23.53 H new ATOM 0 HD2 ARG A 83 11.745 -8.326 6.234 1.00 11.54 H new ATOM 0 HD3 ARG A 83 11.335 -8.113 4.544 1.00 11.54 H new ATOM 0 HE ARG A 83 10.452 -10.691 5.598 1.00 24.52 H new ATOM 0 HH11 ARG A 83 9.694 -7.258 5.281 1.00 44.13 H new ATOM 0 HH12 ARG A 83 7.954 -7.508 5.449 1.00 44.13 H new ATOM 0 HH21 ARG A 83 8.216 -11.005 5.812 1.00 55.14 H new ATOM 0 HH22 ARG A 83 7.120 -9.621 5.749 1.00 55.14 H new ATOM 1240 N GLN A 84 10.813 -10.708 0.834 1.00 65.34 N ATOM 1241 CA GLN A 84 10.471 -10.469 -0.563 1.00 41.14 C ATOM 1242 C GLN A 84 10.445 -8.975 -0.869 1.00 55.10 C ATOM 1243 O GLN A 84 9.421 -8.314 -0.692 1.00 1.55 O ATOM 1244 CB GLN A 84 9.114 -11.093 -0.892 1.00 12.00 C ATOM 1245 CG GLN A 84 9.185 -12.582 -1.188 1.00 34.41 C ATOM 1246 CD GLN A 84 7.860 -13.285 -0.967 1.00 54.11 C ATOM 1247 OE1 GLN A 84 6.867 -12.986 -1.632 1.00 30.22 O ATOM 1248 NE2 GLN A 84 7.837 -14.225 -0.030 1.00 32.23 N ATOM 0 H GLN A 84 10.012 -10.885 1.441 1.00 65.34 H new ATOM 0 HA GLN A 84 11.237 -10.935 -1.183 1.00 41.14 H new ATOM 0 HB2 GLN A 84 8.436 -10.929 -0.055 1.00 12.00 H new ATOM 0 HB3 GLN A 84 8.687 -10.580 -1.753 1.00 12.00 H new ATOM 0 HG2 GLN A 84 9.502 -12.729 -2.221 1.00 34.41 H new ATOM 0 HG3 GLN A 84 9.945 -13.039 -0.554 1.00 34.41 H new ATOM 0 HE21 GLN A 84 8.683 -14.440 0.497 1.00 32.23 H new ATOM 0 HE22 GLN A 84 6.973 -14.732 0.163 1.00 32.23 H new ATOM 1257 N ILE A 85 11.575 -8.450 -1.328 1.00 43.15 N ATOM 1258 CA ILE A 85 11.681 -7.034 -1.659 1.00 74.22 C ATOM 1259 C ILE A 85 12.071 -6.839 -3.120 1.00 40.52 C ATOM 1260 O ILE A 85 12.652 -5.817 -3.487 1.00 64.42 O ATOM 1261 CB ILE A 85 12.712 -6.322 -0.764 1.00 61.21 C ATOM 1262 CG1 ILE A 85 13.981 -7.168 -0.639 1.00 41.30 C ATOM 1263 CG2 ILE A 85 12.118 -6.042 0.608 1.00 4.23 C ATOM 1264 CD1 ILE A 85 15.257 -6.359 -0.726 1.00 72.51 C ATOM 0 H ILE A 85 12.431 -8.984 -1.479 1.00 43.15 H new ATOM 0 HA ILE A 85 10.698 -6.595 -1.486 1.00 74.22 H new ATOM 0 HB ILE A 85 12.976 -5.370 -1.225 1.00 61.21 H new ATOM 0 HG12 ILE A 85 13.961 -7.700 0.312 1.00 41.30 H new ATOM 0 HG13 ILE A 85 13.984 -7.922 -1.426 1.00 41.30 H new ATOM 0 HG21 ILE A 85 12.859 -5.538 1.229 1.00 4.23 H new ATOM 0 HG22 ILE A 85 11.240 -5.405 0.501 1.00 4.23 H new ATOM 0 HG23 ILE A 85 11.829 -6.982 1.078 1.00 4.23 H new ATOM 0 HD11 ILE A 85 16.116 -7.023 -0.630 1.00 72.51 H new ATOM 0 HD12 ILE A 85 15.299 -5.848 -1.688 1.00 72.51 H new ATOM 0 HD13 ILE A 85 15.276 -5.622 0.077 1.00 72.51 H new