USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=18 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 13 ASN : amide:sc= -0.0055 X(o=-0.0055,f=-0.018) USER MOD Set 1.2: A 38 SER OG : rot 160:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.245 X(o=-0.25,f=-0.41) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 138:sc= 0.0769 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 158:sc= -0.0205 (180deg=-0.252) USER MOD Single : A 43 SER OG : rot -149:sc=0.000923 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 59:sc= -0.998 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0.31) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.227 USER MOD Single : A 58 TYR OH : rot -84:sc= 0.246 USER MOD Single : A 66 TYR OH : rot 69:sc= -2.63! USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -130:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.0183 X(o=-0.018,f=-0.018) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 34:sc= 0.0194 USER MOD Single : A 81 SER OG : rot 30:sc= 1.21 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 52 N GLU A 5 7.767 -8.434 -7.642 1.00 61.02 N ATOM 53 CA GLU A 5 7.298 -9.652 -8.292 1.00 24.53 C ATOM 54 C GLU A 5 8.154 -10.849 -7.886 1.00 31.12 C ATOM 55 O GLU A 5 9.217 -11.089 -8.458 1.00 62.11 O ATOM 56 CB GLU A 5 7.322 -9.487 -9.813 1.00 33.43 C ATOM 57 CG GLU A 5 6.408 -8.385 -10.319 1.00 55.44 C ATOM 58 CD GLU A 5 7.163 -7.119 -10.676 1.00 15.35 C ATOM 59 OE1 GLU A 5 7.594 -6.994 -11.841 1.00 55.31 O ATOM 60 OE2 GLU A 5 7.323 -6.254 -9.790 1.00 14.55 O ATOM 0 HA GLU A 5 6.273 -9.834 -7.970 1.00 24.53 H new ATOM 0 HB2 GLU A 5 8.343 -9.276 -10.131 1.00 33.43 H new ATOM 0 HB3 GLU A 5 7.032 -10.430 -10.277 1.00 33.43 H new ATOM 0 HG2 GLU A 5 5.867 -8.741 -11.196 1.00 55.44 H new ATOM 0 HG3 GLU A 5 5.663 -8.157 -9.556 1.00 55.44 H new ATOM 67 N VAL A 6 7.682 -11.597 -6.893 1.00 60.03 N ATOM 68 CA VAL A 6 8.402 -12.769 -6.410 1.00 63.01 C ATOM 69 C VAL A 6 7.686 -14.056 -6.805 1.00 41.41 C ATOM 70 O VAL A 6 6.535 -14.277 -6.429 1.00 74.33 O ATOM 71 CB VAL A 6 8.567 -12.735 -4.879 1.00 75.11 C ATOM 72 CG1 VAL A 6 9.298 -13.977 -4.393 1.00 5.43 C ATOM 73 CG2 VAL A 6 9.298 -11.472 -4.450 1.00 22.40 C ATOM 0 H VAL A 6 6.804 -11.412 -6.408 1.00 60.03 H new ATOM 0 HA VAL A 6 9.388 -12.748 -6.875 1.00 63.01 H new ATOM 0 HB VAL A 6 7.577 -12.725 -4.424 1.00 75.11 H new ATOM 0 HG11 VAL A 6 9.405 -13.935 -3.309 1.00 5.43 H new ATOM 0 HG12 VAL A 6 8.729 -14.865 -4.667 1.00 5.43 H new ATOM 0 HG13 VAL A 6 10.285 -14.022 -4.854 1.00 5.43 H new ATOM 0 HG21 VAL A 6 9.406 -11.465 -3.365 1.00 22.40 H new ATOM 0 HG22 VAL A 6 10.285 -11.448 -4.913 1.00 22.40 H new ATOM 0 HG23 VAL A 6 8.728 -10.597 -4.764 1.00 22.40 H new ATOM 83 N ILE A 7 8.375 -14.901 -7.564 1.00 42.44 N ATOM 84 CA ILE A 7 7.805 -16.166 -8.009 1.00 22.30 C ATOM 85 C ILE A 7 8.741 -17.330 -7.698 1.00 52.24 C ATOM 86 O ILE A 7 9.814 -17.452 -8.289 1.00 21.22 O ATOM 87 CB ILE A 7 7.508 -16.150 -9.520 1.00 65.31 C ATOM 88 CG1 ILE A 7 7.057 -17.535 -9.988 1.00 63.42 C ATOM 89 CG2 ILE A 7 8.736 -15.697 -10.296 1.00 50.22 C ATOM 90 CD1 ILE A 7 6.613 -17.570 -11.434 1.00 12.33 C ATOM 0 H ILE A 7 9.329 -14.732 -7.884 1.00 42.44 H new ATOM 0 HA ILE A 7 6.870 -16.299 -7.465 1.00 22.30 H new ATOM 0 HB ILE A 7 6.701 -15.442 -9.709 1.00 65.31 H new ATOM 0 HG12 ILE A 7 7.877 -18.240 -9.851 1.00 63.42 H new ATOM 0 HG13 ILE A 7 6.236 -17.874 -9.356 1.00 63.42 H new ATOM 0 HG21 ILE A 7 8.511 -15.691 -11.362 1.00 50.22 H new ATOM 0 HG22 ILE A 7 9.017 -14.693 -9.979 1.00 50.22 H new ATOM 0 HG23 ILE A 7 9.561 -16.383 -10.104 1.00 50.22 H new ATOM 0 HD11 ILE A 7 6.307 -18.583 -11.696 1.00 12.33 H new ATOM 0 HD12 ILE A 7 5.773 -16.890 -11.573 1.00 12.33 H new ATOM 0 HD13 ILE A 7 7.439 -17.263 -12.076 1.00 12.33 H new ATOM 102 N VAL A 8 8.326 -18.184 -6.768 1.00 54.13 N ATOM 103 CA VAL A 8 9.125 -19.340 -6.381 1.00 33.23 C ATOM 104 C VAL A 8 8.283 -20.612 -6.372 1.00 5.43 C ATOM 105 O VAL A 8 7.054 -20.555 -6.330 1.00 3.21 O ATOM 106 CB VAL A 8 9.756 -19.145 -4.989 1.00 73.32 C ATOM 107 CG1 VAL A 8 10.378 -17.762 -4.874 1.00 20.22 C ATOM 108 CG2 VAL A 8 8.718 -19.365 -3.899 1.00 0.23 C ATOM 0 H VAL A 8 7.441 -18.097 -6.269 1.00 54.13 H new ATOM 0 HA VAL A 8 9.919 -19.439 -7.121 1.00 33.23 H new ATOM 0 HB VAL A 8 10.547 -19.884 -4.860 1.00 73.32 H new ATOM 0 HG11 VAL A 8 10.819 -17.642 -3.884 1.00 20.22 H new ATOM 0 HG12 VAL A 8 11.152 -17.647 -5.632 1.00 20.22 H new ATOM 0 HG13 VAL A 8 9.609 -17.004 -5.023 1.00 20.22 H new ATOM 0 HG21 VAL A 8 9.181 -19.223 -2.922 1.00 0.23 H new ATOM 0 HG22 VAL A 8 7.904 -18.651 -4.022 1.00 0.23 H new ATOM 0 HG23 VAL A 8 8.325 -20.379 -3.971 1.00 0.23 H new ATOM 118 N TYR A 9 8.954 -21.758 -6.411 1.00 14.23 N ATOM 119 CA TYR A 9 8.268 -23.044 -6.409 1.00 32.50 C ATOM 120 C TYR A 9 8.568 -23.820 -5.130 1.00 30.10 C ATOM 121 O TYR A 9 9.652 -23.702 -4.560 1.00 41.11 O ATOM 122 CB TYR A 9 8.683 -23.869 -7.628 1.00 64.23 C ATOM 123 CG TYR A 9 8.057 -23.397 -8.921 1.00 32.12 C ATOM 124 CD1 TYR A 9 8.243 -22.096 -9.371 1.00 12.30 C ATOM 125 CD2 TYR A 9 7.278 -24.252 -9.691 1.00 41.33 C ATOM 126 CE1 TYR A 9 7.672 -21.660 -10.551 1.00 13.41 C ATOM 127 CE2 TYR A 9 6.704 -23.825 -10.873 1.00 45.42 C ATOM 128 CZ TYR A 9 6.904 -22.528 -11.299 1.00 11.23 C ATOM 129 OH TYR A 9 6.333 -22.098 -12.475 1.00 20.23 O ATOM 0 H TYR A 9 9.971 -21.822 -6.444 1.00 14.23 H new ATOM 0 HA TYR A 9 7.196 -22.855 -6.454 1.00 32.50 H new ATOM 0 HB2 TYR A 9 9.768 -23.836 -7.726 1.00 64.23 H new ATOM 0 HB3 TYR A 9 8.410 -24.911 -7.461 1.00 64.23 H new ATOM 0 HD1 TYR A 9 8.844 -21.414 -8.788 1.00 12.30 H new ATOM 0 HD2 TYR A 9 7.119 -25.268 -9.360 1.00 41.33 H new ATOM 0 HE1 TYR A 9 7.826 -20.645 -10.886 1.00 13.41 H new ATOM 0 HE2 TYR A 9 6.102 -24.503 -11.460 1.00 45.42 H new ATOM 0 HH TYR A 9 5.825 -22.832 -12.880 1.00 20.23 H new ATOM 139 N GLU A 10 7.599 -24.614 -4.686 1.00 33.21 N ATOM 140 CA GLU A 10 7.759 -25.410 -3.474 1.00 53.42 C ATOM 141 C GLU A 10 8.053 -26.867 -3.815 1.00 64.54 C ATOM 142 O GLU A 10 7.535 -27.783 -3.176 1.00 72.42 O ATOM 143 CB GLU A 10 6.499 -25.321 -2.610 1.00 24.25 C ATOM 144 CG GLU A 10 6.703 -25.813 -1.186 1.00 52.52 C ATOM 145 CD GLU A 10 5.985 -24.953 -0.164 1.00 53.11 C ATOM 146 OE1 GLU A 10 6.549 -23.913 0.237 1.00 30.53 O ATOM 147 OE2 GLU A 10 4.859 -25.319 0.234 1.00 24.15 O ATOM 0 H GLU A 10 6.696 -24.723 -5.147 1.00 33.21 H new ATOM 0 HA GLU A 10 8.604 -25.009 -2.915 1.00 53.42 H new ATOM 0 HB2 GLU A 10 6.159 -24.286 -2.583 1.00 24.25 H new ATOM 0 HB3 GLU A 10 5.706 -25.905 -3.077 1.00 24.25 H new ATOM 0 HG2 GLU A 10 6.347 -26.840 -1.106 1.00 52.52 H new ATOM 0 HG3 GLU A 10 7.769 -25.827 -0.959 1.00 52.52 H new ATOM 154 N HIS A 11 8.889 -27.075 -4.828 1.00 3.10 N ATOM 155 CA HIS A 11 9.254 -28.421 -5.255 1.00 73.10 C ATOM 156 C HIS A 11 10.078 -28.380 -6.538 1.00 52.53 C ATOM 157 O HIS A 11 10.480 -27.310 -6.996 1.00 2.35 O ATOM 158 CB HIS A 11 7.999 -29.268 -5.468 1.00 70.51 C ATOM 159 CG HIS A 11 7.884 -30.419 -4.516 1.00 0.44 C ATOM 160 ND1 HIS A 11 8.932 -31.269 -4.232 1.00 41.32 N ATOM 161 CD2 HIS A 11 6.837 -30.856 -3.778 1.00 73.13 C ATOM 162 CE1 HIS A 11 8.534 -32.180 -3.363 1.00 71.41 C ATOM 163 NE2 HIS A 11 7.266 -31.952 -3.071 1.00 62.11 N ATOM 0 H HIS A 11 9.326 -26.328 -5.368 1.00 3.10 H new ATOM 0 HA HIS A 11 9.860 -28.873 -4.470 1.00 73.10 H new ATOM 0 HB2 HIS A 11 7.120 -28.632 -5.364 1.00 70.51 H new ATOM 0 HB3 HIS A 11 7.997 -29.650 -6.489 1.00 70.51 H new ATOM 0 HD2 HIS A 11 5.848 -30.423 -3.750 1.00 73.13 H new ATOM 0 HE1 HIS A 11 9.142 -32.976 -2.959 1.00 71.41 H new ATOM 0 HE2 HIS A 11 6.698 -32.501 -2.425 1.00 62.11 H new ATOM 171 N VAL A 12 10.326 -29.551 -7.115 1.00 22.43 N ATOM 172 CA VAL A 12 11.102 -29.649 -8.345 1.00 41.13 C ATOM 173 C VAL A 12 10.390 -28.955 -9.501 1.00 13.44 C ATOM 174 O VAL A 12 9.182 -28.727 -9.451 1.00 73.44 O ATOM 175 CB VAL A 12 11.366 -31.117 -8.728 1.00 20.45 C ATOM 176 CG1 VAL A 12 12.445 -31.206 -9.796 1.00 50.40 C ATOM 177 CG2 VAL A 12 11.754 -31.926 -7.499 1.00 12.14 C ATOM 0 H VAL A 12 10.000 -30.446 -6.750 1.00 22.43 H new ATOM 0 HA VAL A 12 12.054 -29.153 -8.157 1.00 41.13 H new ATOM 0 HB VAL A 12 10.448 -31.537 -9.138 1.00 20.45 H new ATOM 0 HG11 VAL A 12 12.617 -32.251 -10.053 1.00 50.40 H new ATOM 0 HG12 VAL A 12 12.124 -30.662 -10.684 1.00 50.40 H new ATOM 0 HG13 VAL A 12 13.369 -30.769 -9.417 1.00 50.40 H new ATOM 0 HG21 VAL A 12 11.937 -32.961 -7.788 1.00 12.14 H new ATOM 0 HG22 VAL A 12 12.658 -31.507 -7.058 1.00 12.14 H new ATOM 0 HG23 VAL A 12 10.945 -31.890 -6.770 1.00 12.14 H new ATOM 187 N ASN A 13 11.147 -28.620 -10.540 1.00 61.33 N ATOM 188 CA ASN A 13 10.588 -27.951 -11.709 1.00 70.35 C ATOM 189 C ASN A 13 10.023 -28.966 -12.699 1.00 21.23 C ATOM 190 O ASN A 13 10.382 -28.967 -13.877 1.00 33.15 O ATOM 191 CB ASN A 13 11.657 -27.096 -12.393 1.00 74.13 C ATOM 192 CG ASN A 13 11.057 -25.994 -13.246 1.00 23.51 C ATOM 193 OD1 ASN A 13 10.606 -24.972 -12.731 1.00 13.34 O ATOM 194 ND2 ASN A 13 11.050 -26.199 -14.558 1.00 25.41 N ATOM 0 H ASN A 13 12.149 -28.801 -10.597 1.00 61.33 H new ATOM 0 HA ASN A 13 9.776 -27.306 -11.373 1.00 70.35 H new ATOM 0 HB2 ASN A 13 12.304 -26.654 -11.636 1.00 74.13 H new ATOM 0 HB3 ASN A 13 12.284 -27.733 -13.016 1.00 74.13 H new ATOM 0 HD21 ASN A 13 10.660 -25.493 -15.182 1.00 25.41 H new ATOM 0 HD22 ASN A 13 11.435 -27.062 -14.941 1.00 25.41 H new ATOM 201 N PHE A 14 9.137 -29.829 -12.212 1.00 3.11 N ATOM 202 CA PHE A 14 8.523 -30.850 -13.052 1.00 55.35 C ATOM 203 C PHE A 14 7.498 -31.659 -12.263 1.00 71.53 C ATOM 204 O PHE A 14 7.254 -32.829 -12.558 1.00 42.21 O ATOM 205 CB PHE A 14 9.593 -31.781 -13.626 1.00 52.41 C ATOM 206 CG PHE A 14 9.946 -32.922 -12.715 1.00 55.42 C ATOM 207 CD1 PHE A 14 10.220 -32.697 -11.376 1.00 11.11 C ATOM 208 CD2 PHE A 14 10.003 -34.219 -13.199 1.00 2.14 C ATOM 209 CE1 PHE A 14 10.545 -33.745 -10.535 1.00 15.32 C ATOM 210 CE2 PHE A 14 10.327 -35.271 -12.362 1.00 53.43 C ATOM 211 CZ PHE A 14 10.599 -35.033 -11.029 1.00 71.11 C ATOM 0 H PHE A 14 8.828 -29.841 -11.240 1.00 3.11 H new ATOM 0 HA PHE A 14 8.010 -30.349 -13.873 1.00 55.35 H new ATOM 0 HB2 PHE A 14 9.243 -32.181 -14.577 1.00 52.41 H new ATOM 0 HB3 PHE A 14 10.492 -31.202 -13.836 1.00 52.41 H new ATOM 0 HD1 PHE A 14 10.179 -31.691 -10.984 1.00 11.11 H new ATOM 0 HD2 PHE A 14 9.792 -34.410 -14.241 1.00 2.14 H new ATOM 0 HE1 PHE A 14 10.756 -33.556 -9.493 1.00 15.32 H new ATOM 0 HE2 PHE A 14 10.367 -36.278 -12.750 1.00 53.43 H new ATOM 0 HZ PHE A 14 10.854 -35.853 -10.374 1.00 71.11 H new ATOM 221 N GLY A 15 6.901 -31.028 -11.257 1.00 52.32 N ATOM 222 CA GLY A 15 5.910 -31.704 -10.440 1.00 42.11 C ATOM 223 C GLY A 15 5.759 -31.072 -9.071 1.00 21.04 C ATOM 224 O GLY A 15 5.695 -31.771 -8.060 1.00 63.13 O ATOM 0 H GLY A 15 7.086 -30.060 -10.993 1.00 52.32 H new ATOM 0 HA2 GLY A 15 4.948 -31.687 -10.953 1.00 42.11 H new ATOM 0 HA3 GLY A 15 6.191 -32.751 -10.325 1.00 42.11 H new ATOM 228 N GLY A 16 5.703 -29.744 -9.036 1.00 3.00 N ATOM 229 CA GLY A 16 5.561 -29.040 -7.775 1.00 23.12 C ATOM 230 C GLY A 16 4.657 -27.829 -7.886 1.00 11.34 C ATOM 231 O GLY A 16 4.249 -27.447 -8.983 1.00 33.13 O ATOM 0 H GLY A 16 5.753 -29.143 -9.859 1.00 3.00 H new ATOM 0 HA2 GLY A 16 5.160 -29.722 -7.025 1.00 23.12 H new ATOM 0 HA3 GLY A 16 6.544 -28.725 -7.426 1.00 23.12 H new ATOM 235 N LYS A 17 4.341 -27.222 -6.746 1.00 72.25 N ATOM 236 CA LYS A 17 3.478 -26.047 -6.719 1.00 3.15 C ATOM 237 C LYS A 17 4.304 -24.765 -6.758 1.00 61.01 C ATOM 238 O LYS A 17 5.495 -24.773 -6.447 1.00 10.22 O ATOM 239 CB LYS A 17 2.601 -26.062 -5.465 1.00 32.52 C ATOM 240 CG LYS A 17 3.389 -25.970 -4.170 1.00 11.53 C ATOM 241 CD LYS A 17 2.578 -25.305 -3.070 1.00 11.11 C ATOM 242 CE LYS A 17 1.314 -26.091 -2.757 1.00 54.34 C ATOM 243 NZ LYS A 17 0.085 -25.338 -3.135 1.00 63.21 N ATOM 0 H LYS A 17 4.670 -27.525 -5.829 1.00 72.25 H new ATOM 0 HA LYS A 17 2.840 -26.075 -7.602 1.00 3.15 H new ATOM 0 HB2 LYS A 17 1.899 -25.230 -5.513 1.00 32.52 H new ATOM 0 HB3 LYS A 17 2.010 -26.978 -5.456 1.00 32.52 H new ATOM 0 HG2 LYS A 17 3.685 -26.969 -3.851 1.00 11.53 H new ATOM 0 HG3 LYS A 17 4.305 -25.405 -4.340 1.00 11.53 H new ATOM 0 HD2 LYS A 17 3.186 -25.218 -2.170 1.00 11.11 H new ATOM 0 HD3 LYS A 17 2.312 -24.292 -3.374 1.00 11.11 H new ATOM 0 HE2 LYS A 17 1.336 -27.042 -3.290 1.00 54.34 H new ATOM 0 HE3 LYS A 17 1.285 -26.323 -1.692 1.00 54.34 H new ATOM 0 HZ1 LYS A 17 -0.755 -25.907 -2.906 1.00 63.21 H new ATOM 0 HZ2 LYS A 17 0.051 -24.442 -2.608 1.00 63.21 H new ATOM 0 HZ3 LYS A 17 0.100 -25.138 -4.156 1.00 63.21 H new ATOM 257 N SER A 18 3.663 -23.665 -7.141 1.00 64.33 N ATOM 258 CA SER A 18 4.340 -22.376 -7.223 1.00 73.04 C ATOM 259 C SER A 18 3.473 -21.269 -6.631 1.00 30.23 C ATOM 260 O SER A 18 2.272 -21.448 -6.425 1.00 24.02 O ATOM 261 CB SER A 18 4.682 -22.048 -8.678 1.00 0.41 C ATOM 262 OG SER A 18 3.621 -21.350 -9.307 1.00 12.25 O ATOM 0 H SER A 18 2.677 -23.641 -7.399 1.00 64.33 H new ATOM 0 HA SER A 18 5.262 -22.440 -6.646 1.00 73.04 H new ATOM 0 HB2 SER A 18 5.590 -21.446 -8.714 1.00 0.41 H new ATOM 0 HB3 SER A 18 4.889 -22.969 -9.223 1.00 0.41 H new ATOM 0 HG SER A 18 3.865 -21.151 -10.235 1.00 12.25 H new ATOM 268 N PHE A 19 4.091 -20.125 -6.358 1.00 53.53 N ATOM 269 CA PHE A 19 3.377 -18.988 -5.788 1.00 43.30 C ATOM 270 C PHE A 19 3.524 -17.754 -6.674 1.00 1.35 C ATOM 271 O PHE A 19 4.620 -17.213 -6.827 1.00 34.32 O ATOM 272 CB PHE A 19 3.898 -18.685 -4.382 1.00 2.04 C ATOM 273 CG PHE A 19 4.091 -19.912 -3.537 1.00 13.23 C ATOM 274 CD1 PHE A 19 3.040 -20.787 -3.313 1.00 60.03 C ATOM 275 CD2 PHE A 19 5.322 -20.190 -2.966 1.00 63.03 C ATOM 276 CE1 PHE A 19 3.214 -21.916 -2.536 1.00 24.14 C ATOM 277 CE2 PHE A 19 5.503 -21.318 -2.188 1.00 12.11 C ATOM 278 CZ PHE A 19 4.448 -22.183 -1.973 1.00 55.42 C ATOM 0 H PHE A 19 5.084 -19.960 -6.522 1.00 53.53 H new ATOM 0 HA PHE A 19 2.320 -19.247 -5.728 1.00 43.30 H new ATOM 0 HB2 PHE A 19 4.847 -18.155 -4.461 1.00 2.04 H new ATOM 0 HB3 PHE A 19 3.200 -18.015 -3.881 1.00 2.04 H new ATOM 0 HD1 PHE A 19 2.074 -20.584 -3.751 1.00 60.03 H new ATOM 0 HD2 PHE A 19 6.151 -19.517 -3.131 1.00 63.03 H new ATOM 0 HE1 PHE A 19 2.387 -22.590 -2.369 1.00 24.14 H new ATOM 0 HE2 PHE A 19 6.468 -21.523 -1.749 1.00 12.11 H new ATOM 0 HZ PHE A 19 4.587 -23.066 -1.367 1.00 55.42 H new ATOM 288 N ASP A 20 2.413 -17.314 -7.254 1.00 62.33 N ATOM 289 CA ASP A 20 2.417 -16.144 -8.124 1.00 73.15 C ATOM 290 C ASP A 20 1.364 -15.133 -7.680 1.00 22.20 C ATOM 291 O ASP A 20 0.380 -14.899 -8.380 1.00 50.44 O ATOM 292 CB ASP A 20 2.163 -16.559 -9.574 1.00 74.44 C ATOM 293 CG ASP A 20 0.929 -17.429 -9.720 1.00 1.21 C ATOM 294 OD1 ASP A 20 1.036 -18.653 -9.495 1.00 53.15 O ATOM 295 OD2 ASP A 20 -0.143 -16.885 -10.057 1.00 60.04 O ATOM 0 H ASP A 20 1.498 -17.750 -7.137 1.00 62.33 H new ATOM 0 HA ASP A 20 3.398 -15.674 -8.055 1.00 73.15 H new ATOM 0 HB2 ASP A 20 2.050 -15.667 -10.190 1.00 74.44 H new ATOM 0 HB3 ASP A 20 3.031 -17.099 -9.952 1.00 74.44 H new ATOM 473 N LYS A 35 14.949 -29.399 1.919 1.00 14.42 N ATOM 474 CA LYS A 35 15.166 -28.242 1.058 1.00 74.42 C ATOM 475 C LYS A 35 15.463 -28.678 -0.373 1.00 72.34 C ATOM 476 O LYS A 35 16.501 -29.281 -0.645 1.00 64.43 O ATOM 477 CB LYS A 35 16.319 -27.391 1.593 1.00 63.21 C ATOM 478 CG LYS A 35 15.902 -25.989 2.001 1.00 43.23 C ATOM 479 CD LYS A 35 15.588 -25.126 0.790 1.00 64.11 C ATOM 480 CE LYS A 35 14.100 -25.126 0.476 1.00 21.13 C ATOM 481 NZ LYS A 35 13.629 -23.789 0.020 1.00 23.01 N ATOM 0 HA LYS A 35 14.254 -27.646 1.056 1.00 74.42 H new ATOM 0 HB2 LYS A 35 16.762 -27.894 2.453 1.00 63.21 H new ATOM 0 HB3 LYS A 35 17.094 -27.323 0.829 1.00 63.21 H new ATOM 0 HG2 LYS A 35 15.026 -26.043 2.648 1.00 43.23 H new ATOM 0 HG3 LYS A 35 16.699 -25.526 2.582 1.00 43.23 H new ATOM 0 HD2 LYS A 35 15.922 -24.105 0.973 1.00 64.11 H new ATOM 0 HD3 LYS A 35 16.143 -25.493 -0.073 1.00 64.11 H new ATOM 0 HE2 LYS A 35 13.892 -25.867 -0.296 1.00 21.13 H new ATOM 0 HE3 LYS A 35 13.542 -25.424 1.363 1.00 21.13 H new ATOM 0 HZ1 LYS A 35 12.610 -23.831 -0.184 1.00 23.01 H new ATOM 0 HZ2 LYS A 35 13.804 -23.086 0.766 1.00 23.01 H new ATOM 0 HZ3 LYS A 35 14.143 -23.515 -0.841 1.00 23.01 H new ATOM 495 N ILE A 36 14.546 -28.368 -1.284 1.00 21.21 N ATOM 496 CA ILE A 36 14.712 -28.726 -2.687 1.00 63.01 C ATOM 497 C ILE A 36 13.562 -28.188 -3.532 1.00 3.24 C ATOM 498 O ILE A 36 12.442 -28.693 -3.467 1.00 14.34 O ATOM 499 CB ILE A 36 14.800 -30.252 -2.872 1.00 72.53 C ATOM 500 CG1 ILE A 36 14.794 -30.609 -4.360 1.00 55.23 C ATOM 501 CG2 ILE A 36 13.649 -30.940 -2.153 1.00 22.14 C ATOM 502 CD1 ILE A 36 15.700 -31.769 -4.708 1.00 35.34 C ATOM 0 H ILE A 36 13.681 -27.870 -1.075 1.00 21.21 H new ATOM 0 HA ILE A 36 15.646 -28.273 -3.019 1.00 63.01 H new ATOM 0 HB ILE A 36 15.736 -30.602 -2.437 1.00 72.53 H new ATOM 0 HG12 ILE A 36 13.775 -30.851 -4.663 1.00 55.23 H new ATOM 0 HG13 ILE A 36 15.099 -29.735 -4.936 1.00 55.23 H new ATOM 0 HG21 ILE A 36 13.725 -32.018 -2.293 1.00 22.14 H new ATOM 0 HG22 ILE A 36 13.694 -30.708 -1.089 1.00 22.14 H new ATOM 0 HG23 ILE A 36 12.702 -30.587 -2.561 1.00 22.14 H new ATOM 0 HD11 ILE A 36 15.645 -31.965 -5.779 1.00 35.34 H new ATOM 0 HD12 ILE A 36 16.727 -31.523 -4.437 1.00 35.34 H new ATOM 0 HD13 ILE A 36 15.383 -32.656 -4.160 1.00 35.34 H new ATOM 514 N SER A 37 13.848 -27.161 -4.325 1.00 44.24 N ATOM 515 CA SER A 37 12.838 -26.552 -5.182 1.00 74.12 C ATOM 516 C SER A 37 13.480 -25.608 -6.194 1.00 10.22 C ATOM 517 O SER A 37 14.695 -25.624 -6.391 1.00 30.44 O ATOM 518 CB SER A 37 11.813 -25.793 -4.338 1.00 12.54 C ATOM 519 OG SER A 37 12.391 -24.642 -3.747 1.00 43.51 O ATOM 0 H SER A 37 14.771 -26.733 -4.392 1.00 44.24 H new ATOM 0 HA SER A 37 12.331 -27.349 -5.726 1.00 74.12 H new ATOM 0 HB2 SER A 37 10.969 -25.500 -4.962 1.00 12.54 H new ATOM 0 HB3 SER A 37 11.422 -26.448 -3.559 1.00 12.54 H new ATOM 0 HG SER A 37 11.762 -23.893 -3.806 1.00 43.51 H new ATOM 525 N SER A 38 12.655 -24.785 -6.833 1.00 15.12 N ATOM 526 CA SER A 38 13.140 -23.835 -7.827 1.00 61.43 C ATOM 527 C SER A 38 12.933 -22.400 -7.354 1.00 43.21 C ATOM 528 O SER A 38 11.916 -22.078 -6.740 1.00 12.23 O ATOM 529 CB SER A 38 12.425 -24.052 -9.162 1.00 61.43 C ATOM 530 OG SER A 38 12.086 -25.416 -9.343 1.00 71.33 O ATOM 0 H SER A 38 11.647 -24.757 -6.680 1.00 15.12 H new ATOM 0 HA SER A 38 14.208 -24.003 -7.963 1.00 61.43 H new ATOM 0 HB2 SER A 38 11.523 -23.442 -9.198 1.00 61.43 H new ATOM 0 HB3 SER A 38 13.066 -23.722 -9.979 1.00 61.43 H new ATOM 0 HG SER A 38 11.374 -25.490 -10.012 1.00 71.33 H new ATOM 536 N ILE A 39 13.905 -21.542 -7.645 1.00 4.13 N ATOM 537 CA ILE A 39 13.830 -20.141 -7.250 1.00 42.33 C ATOM 538 C ILE A 39 13.994 -19.221 -8.456 1.00 2.15 C ATOM 539 O ILE A 39 15.033 -19.224 -9.117 1.00 31.14 O ATOM 540 CB ILE A 39 14.904 -19.792 -6.203 1.00 22.21 C ATOM 541 CG1 ILE A 39 14.369 -20.038 -4.791 1.00 23.53 C ATOM 542 CG2 ILE A 39 15.350 -18.346 -6.362 1.00 35.22 C ATOM 543 CD1 ILE A 39 13.871 -21.450 -4.571 1.00 11.31 C ATOM 0 H ILE A 39 14.753 -21.792 -8.153 1.00 4.13 H new ATOM 0 HA ILE A 39 12.844 -19.990 -6.811 1.00 42.33 H new ATOM 0 HB ILE A 39 15.768 -20.437 -6.362 1.00 22.21 H new ATOM 0 HG12 ILE A 39 15.158 -19.823 -4.070 1.00 23.53 H new ATOM 0 HG13 ILE A 39 13.556 -19.340 -4.592 1.00 23.53 H new ATOM 0 HG21 ILE A 39 16.109 -18.115 -5.615 1.00 35.22 H new ATOM 0 HG22 ILE A 39 15.766 -18.201 -7.359 1.00 35.22 H new ATOM 0 HG23 ILE A 39 14.494 -17.684 -6.226 1.00 35.22 H new ATOM 0 HD11 ILE A 39 13.507 -21.552 -3.549 1.00 11.31 H new ATOM 0 HD12 ILE A 39 13.061 -21.663 -5.268 1.00 11.31 H new ATOM 0 HD13 ILE A 39 14.687 -22.154 -4.737 1.00 11.31 H new ATOM 555 N LYS A 40 12.962 -18.432 -8.735 1.00 63.15 N ATOM 556 CA LYS A 40 12.991 -17.503 -9.859 1.00 63.42 C ATOM 557 C LYS A 40 12.724 -16.076 -9.392 1.00 73.14 C ATOM 558 O LYS A 40 11.813 -15.832 -8.600 1.00 45.44 O ATOM 559 CB LYS A 40 11.956 -17.910 -10.910 1.00 50.03 C ATOM 560 CG LYS A 40 12.026 -17.085 -12.184 1.00 31.12 C ATOM 561 CD LYS A 40 10.641 -16.691 -12.669 1.00 42.43 C ATOM 562 CE LYS A 40 10.551 -16.727 -14.187 1.00 65.13 C ATOM 563 NZ LYS A 40 9.176 -16.422 -14.669 1.00 51.21 N ATOM 0 H LYS A 40 12.095 -18.417 -8.198 1.00 63.15 H new ATOM 0 HA LYS A 40 13.985 -17.540 -10.304 1.00 63.42 H new ATOM 0 HB2 LYS A 40 12.098 -18.961 -11.160 1.00 50.03 H new ATOM 0 HB3 LYS A 40 10.958 -17.816 -10.481 1.00 50.03 H new ATOM 0 HG2 LYS A 40 12.619 -16.188 -12.006 1.00 31.12 H new ATOM 0 HG3 LYS A 40 12.536 -17.655 -12.960 1.00 31.12 H new ATOM 0 HD2 LYS A 40 9.899 -17.367 -12.243 1.00 42.43 H new ATOM 0 HD3 LYS A 40 10.401 -15.689 -12.313 1.00 42.43 H new ATOM 0 HE2 LYS A 40 11.252 -16.007 -14.609 1.00 65.13 H new ATOM 0 HE3 LYS A 40 10.851 -17.712 -14.545 1.00 65.13 H new ATOM 0 HZ1 LYS A 40 9.157 -16.457 -15.708 1.00 51.21 H new ATOM 0 HZ2 LYS A 40 8.511 -17.124 -14.287 1.00 51.21 H new ATOM 0 HZ3 LYS A 40 8.899 -15.472 -14.349 1.00 51.21 H new ATOM 577 N VAL A 41 13.522 -15.136 -9.889 1.00 72.33 N ATOM 578 CA VAL A 41 13.369 -13.733 -9.525 1.00 42.21 C ATOM 579 C VAL A 41 13.308 -12.847 -10.764 1.00 54.04 C ATOM 580 O VAL A 41 14.041 -13.059 -11.730 1.00 43.11 O ATOM 581 CB VAL A 41 14.525 -13.258 -8.625 1.00 3.30 C ATOM 582 CG1 VAL A 41 14.175 -11.936 -7.958 1.00 35.52 C ATOM 583 CG2 VAL A 41 14.861 -14.317 -7.586 1.00 15.33 C ATOM 0 H VAL A 41 14.281 -15.321 -10.545 1.00 72.33 H new ATOM 0 HA VAL A 41 12.431 -13.649 -8.975 1.00 42.21 H new ATOM 0 HB VAL A 41 15.406 -13.101 -9.248 1.00 3.30 H new ATOM 0 HG11 VAL A 41 15.004 -11.617 -7.326 1.00 35.52 H new ATOM 0 HG12 VAL A 41 13.989 -11.181 -8.722 1.00 35.52 H new ATOM 0 HG13 VAL A 41 13.281 -12.062 -7.347 1.00 35.52 H new ATOM 0 HG21 VAL A 41 15.680 -13.965 -6.959 1.00 15.33 H new ATOM 0 HG22 VAL A 41 13.985 -14.509 -6.966 1.00 15.33 H new ATOM 0 HG23 VAL A 41 15.159 -15.238 -8.088 1.00 15.33 H new ATOM 593 N LYS A 42 12.427 -11.852 -10.731 1.00 22.44 N ATOM 594 CA LYS A 42 12.269 -10.931 -11.850 1.00 24.31 C ATOM 595 C LYS A 42 11.922 -9.530 -11.357 1.00 33.42 C ATOM 596 O LYS A 42 11.102 -8.836 -11.958 1.00 62.12 O ATOM 597 CB LYS A 42 11.181 -11.434 -12.801 1.00 14.32 C ATOM 598 CG LYS A 42 11.473 -11.150 -14.264 1.00 70.21 C ATOM 599 CD LYS A 42 10.872 -9.827 -14.707 1.00 11.33 C ATOM 600 CE LYS A 42 11.930 -8.738 -14.803 1.00 20.35 C ATOM 601 NZ LYS A 42 12.888 -8.993 -15.914 1.00 3.33 N ATOM 0 H LYS A 42 11.811 -11.663 -9.940 1.00 22.44 H new ATOM 0 HA LYS A 42 13.217 -10.883 -12.386 1.00 24.31 H new ATOM 0 HB2 LYS A 42 11.060 -12.509 -12.665 1.00 14.32 H new ATOM 0 HB3 LYS A 42 10.232 -10.970 -12.532 1.00 14.32 H new ATOM 0 HG2 LYS A 42 12.551 -11.132 -14.424 1.00 70.21 H new ATOM 0 HG3 LYS A 42 11.073 -11.956 -14.879 1.00 70.21 H new ATOM 0 HD2 LYS A 42 10.388 -9.952 -15.676 1.00 11.33 H new ATOM 0 HD3 LYS A 42 10.099 -9.523 -14.002 1.00 11.33 H new ATOM 0 HE2 LYS A 42 11.446 -7.773 -14.955 1.00 20.35 H new ATOM 0 HE3 LYS A 42 12.474 -8.676 -13.861 1.00 20.35 H new ATOM 0 HZ1 LYS A 42 13.342 -8.100 -16.192 1.00 3.33 H new ATOM 0 HZ2 LYS A 42 13.614 -9.667 -15.598 1.00 3.33 H new ATOM 0 HZ3 LYS A 42 12.377 -9.390 -16.728 1.00 3.33 H new ATOM 615 N SER A 43 12.551 -9.121 -10.260 1.00 11.20 N ATOM 616 CA SER A 43 12.306 -7.803 -9.685 1.00 70.31 C ATOM 617 C SER A 43 13.114 -7.610 -8.406 1.00 21.14 C ATOM 618 O SER A 43 12.961 -8.359 -7.442 1.00 33.40 O ATOM 619 CB SER A 43 10.815 -7.620 -9.393 1.00 24.10 C ATOM 620 OG SER A 43 10.612 -6.696 -8.338 1.00 24.00 O ATOM 0 H SER A 43 13.234 -9.683 -9.752 1.00 11.20 H new ATOM 0 HA SER A 43 12.622 -7.053 -10.410 1.00 70.31 H new ATOM 0 HB2 SER A 43 10.306 -7.270 -10.291 1.00 24.10 H new ATOM 0 HB3 SER A 43 10.372 -8.581 -9.130 1.00 24.10 H new ATOM 0 HG SER A 43 9.800 -6.936 -7.844 1.00 24.00 H new ATOM 626 N GLY A 44 13.977 -6.598 -8.405 1.00 34.03 N ATOM 627 CA GLY A 44 14.797 -6.323 -7.239 1.00 72.45 C ATOM 628 C GLY A 44 15.550 -7.548 -6.759 1.00 31.01 C ATOM 629 O GLY A 44 15.851 -8.449 -7.543 1.00 32.25 O ATOM 0 H GLY A 44 14.123 -5.964 -9.191 1.00 34.03 H new ATOM 0 HA2 GLY A 44 15.509 -5.533 -7.477 1.00 72.45 H new ATOM 0 HA3 GLY A 44 14.165 -5.950 -6.433 1.00 72.45 H new ATOM 633 N THR A 45 15.858 -7.582 -5.466 1.00 34.10 N ATOM 634 CA THR A 45 16.583 -8.704 -4.882 1.00 53.53 C ATOM 635 C THR A 45 16.066 -9.025 -3.485 1.00 35.12 C ATOM 636 O THR A 45 15.442 -8.186 -2.835 1.00 43.42 O ATOM 637 CB THR A 45 18.094 -8.416 -4.804 1.00 50.13 C ATOM 638 OG1 THR A 45 18.324 -7.191 -4.100 1.00 12.34 O ATOM 639 CG2 THR A 45 18.700 -8.327 -6.197 1.00 25.34 C ATOM 0 H THR A 45 15.617 -6.845 -4.803 1.00 34.10 H new ATOM 0 HA THR A 45 16.417 -9.562 -5.534 1.00 53.53 H new ATOM 0 HB THR A 45 18.571 -9.237 -4.269 1.00 50.13 H new ATOM 0 HG1 THR A 45 19.287 -7.016 -4.053 1.00 12.34 H new ATOM 0 HG21 THR A 45 19.768 -8.123 -6.117 1.00 25.34 H new ATOM 0 HG22 THR A 45 18.549 -9.271 -6.720 1.00 25.34 H new ATOM 0 HG23 THR A 45 18.218 -7.523 -6.753 1.00 25.34 H new ATOM 647 N TRP A 46 16.328 -10.244 -3.028 1.00 63.12 N ATOM 648 CA TRP A 46 15.889 -10.676 -1.706 1.00 2.10 C ATOM 649 C TRP A 46 17.071 -11.154 -0.869 1.00 53.50 C ATOM 650 O TRP A 46 18.204 -11.201 -1.349 1.00 34.45 O ATOM 651 CB TRP A 46 14.852 -11.793 -1.830 1.00 54.22 C ATOM 652 CG TRP A 46 13.906 -11.601 -2.977 1.00 43.42 C ATOM 653 CD1 TRP A 46 13.324 -10.430 -3.372 1.00 44.04 C ATOM 654 CD2 TRP A 46 13.433 -12.610 -3.876 1.00 15.34 C ATOM 655 NE1 TRP A 46 12.517 -10.651 -4.462 1.00 43.43 N ATOM 656 CE2 TRP A 46 12.567 -11.979 -4.791 1.00 61.41 C ATOM 657 CE3 TRP A 46 13.657 -13.984 -3.997 1.00 54.32 C ATOM 658 CZ2 TRP A 46 11.927 -12.678 -5.811 1.00 53.33 C ATOM 659 CZ3 TRP A 46 13.020 -14.675 -5.010 1.00 71.30 C ATOM 660 CH2 TRP A 46 12.164 -14.022 -5.907 1.00 1.02 C ATOM 0 H TRP A 46 16.842 -10.951 -3.553 1.00 63.12 H new ATOM 0 HA TRP A 46 15.434 -9.822 -1.205 1.00 2.10 H new ATOM 0 HB2 TRP A 46 15.368 -12.746 -1.949 1.00 54.22 H new ATOM 0 HB3 TRP A 46 14.281 -11.853 -0.904 1.00 54.22 H new ATOM 0 HD1 TRP A 46 13.476 -9.472 -2.898 1.00 44.04 H new ATOM 0 HE1 TRP A 46 11.969 -9.941 -4.947 1.00 43.43 H new ATOM 0 HE3 TRP A 46 14.316 -14.496 -3.311 1.00 54.32 H new ATOM 0 HZ2 TRP A 46 11.266 -12.177 -6.503 1.00 53.33 H new ATOM 0 HZ3 TRP A 46 13.185 -15.737 -5.112 1.00 71.30 H new ATOM 0 HH2 TRP A 46 11.682 -14.590 -6.689 1.00 1.02 H new ATOM 671 N ARG A 47 16.799 -11.506 0.383 1.00 23.22 N ATOM 672 CA ARG A 47 17.841 -11.979 1.287 1.00 61.23 C ATOM 673 C ARG A 47 17.493 -13.356 1.844 1.00 21.33 C ATOM 674 O ARG A 47 16.449 -13.538 2.471 1.00 60.21 O ATOM 675 CB ARG A 47 18.039 -10.988 2.435 1.00 44.44 C ATOM 676 CG ARG A 47 18.432 -9.593 1.974 1.00 23.50 C ATOM 677 CD ARG A 47 17.233 -8.660 1.938 1.00 55.11 C ATOM 678 NE ARG A 47 16.888 -8.160 3.266 1.00 33.01 N ATOM 679 CZ ARG A 47 17.623 -7.277 3.933 1.00 52.03 C ATOM 680 NH1 ARG A 47 18.737 -6.799 3.397 1.00 5.43 N ATOM 681 NH2 ARG A 47 17.243 -6.870 5.137 1.00 20.33 N ATOM 0 H ARG A 47 15.866 -11.473 0.795 1.00 23.22 H new ATOM 0 HA ARG A 47 18.769 -12.059 0.721 1.00 61.23 H new ATOM 0 HB2 ARG A 47 17.117 -10.924 3.012 1.00 44.44 H new ATOM 0 HB3 ARG A 47 18.809 -11.370 3.105 1.00 44.44 H new ATOM 0 HG2 ARG A 47 19.190 -9.187 2.644 1.00 23.50 H new ATOM 0 HG3 ARG A 47 18.880 -9.649 0.982 1.00 23.50 H new ATOM 0 HD2 ARG A 47 17.448 -7.819 1.279 1.00 55.11 H new ATOM 0 HD3 ARG A 47 16.377 -9.186 1.515 1.00 55.11 H new ATOM 0 HE ARG A 47 16.036 -8.508 3.706 1.00 33.01 H new ATOM 0 HH11 ARG A 47 19.031 -7.109 2.471 1.00 5.43 H new ATOM 0 HH12 ARG A 47 19.300 -6.121 3.911 1.00 5.43 H new ATOM 0 HH21 ARG A 47 16.386 -7.235 5.552 1.00 20.33 H new ATOM 0 HH22 ARG A 47 17.808 -6.192 5.648 1.00 20.33 H new ATOM 695 N PHE A 48 18.375 -14.323 1.612 1.00 75.25 N ATOM 696 CA PHE A 48 18.160 -15.684 2.089 1.00 61.30 C ATOM 697 C PHE A 48 19.094 -16.006 3.252 1.00 63.33 C ATOM 698 O PHE A 48 20.312 -15.857 3.144 1.00 73.42 O ATOM 699 CB PHE A 48 18.377 -16.686 0.953 1.00 23.10 C ATOM 700 CG PHE A 48 17.103 -17.130 0.293 1.00 0.41 C ATOM 701 CD1 PHE A 48 16.322 -18.122 0.862 1.00 35.14 C ATOM 702 CD2 PHE A 48 16.686 -16.554 -0.896 1.00 44.23 C ATOM 703 CE1 PHE A 48 15.149 -18.532 0.257 1.00 60.53 C ATOM 704 CE2 PHE A 48 15.514 -16.960 -1.506 1.00 45.24 C ATOM 705 CZ PHE A 48 14.744 -17.950 -0.928 1.00 43.14 C ATOM 0 H PHE A 48 19.245 -14.189 1.097 1.00 75.25 H new ATOM 0 HA PHE A 48 17.131 -15.761 2.440 1.00 61.30 H new ATOM 0 HB2 PHE A 48 19.028 -16.237 0.203 1.00 23.10 H new ATOM 0 HB3 PHE A 48 18.897 -17.560 1.345 1.00 23.10 H new ATOM 0 HD1 PHE A 48 16.633 -18.580 1.789 1.00 35.14 H new ATOM 0 HD2 PHE A 48 17.284 -15.779 -1.352 1.00 44.23 H new ATOM 0 HE1 PHE A 48 14.549 -19.307 0.711 1.00 60.53 H new ATOM 0 HE2 PHE A 48 15.201 -16.504 -2.433 1.00 45.24 H new ATOM 0 HZ PHE A 48 13.827 -18.268 -1.402 1.00 43.14 H new ATOM 715 N TYR A 49 18.515 -16.448 4.363 1.00 44.32 N ATOM 716 CA TYR A 49 19.295 -16.788 5.547 1.00 33.12 C ATOM 717 C TYR A 49 18.745 -18.043 6.219 1.00 41.12 C ATOM 718 O TYR A 49 17.556 -18.125 6.526 1.00 64.23 O ATOM 719 CB TYR A 49 19.291 -15.623 6.538 1.00 1.30 C ATOM 720 CG TYR A 49 18.118 -14.685 6.365 1.00 11.33 C ATOM 721 CD1 TYR A 49 16.912 -14.923 7.013 1.00 11.32 C ATOM 722 CD2 TYR A 49 18.215 -13.561 5.554 1.00 72.23 C ATOM 723 CE1 TYR A 49 15.837 -14.069 6.858 1.00 40.21 C ATOM 724 CE2 TYR A 49 17.146 -12.701 5.394 1.00 73.23 C ATOM 725 CZ TYR A 49 15.959 -12.959 6.048 1.00 60.34 C ATOM 726 OH TYR A 49 14.891 -12.106 5.890 1.00 42.23 O ATOM 0 H TYR A 49 17.509 -16.579 4.468 1.00 44.32 H new ATOM 0 HA TYR A 49 20.320 -16.985 5.232 1.00 33.12 H new ATOM 0 HB2 TYR A 49 19.281 -16.020 7.553 1.00 1.30 H new ATOM 0 HB3 TYR A 49 20.217 -15.058 6.426 1.00 1.30 H new ATOM 0 HD1 TYR A 49 16.813 -15.790 7.649 1.00 11.32 H new ATOM 0 HD2 TYR A 49 19.142 -13.356 5.040 1.00 72.23 H new ATOM 0 HE1 TYR A 49 14.906 -14.269 7.368 1.00 40.21 H new ATOM 0 HE2 TYR A 49 17.239 -11.831 4.760 1.00 73.23 H new ATOM 0 HH TYR A 49 14.624 -11.751 6.763 1.00 42.23 H new ATOM 736 N GLU A 50 19.621 -19.018 6.444 1.00 12.50 N ATOM 737 CA GLU A 50 19.224 -20.269 7.079 1.00 13.41 C ATOM 738 C GLU A 50 19.611 -20.276 8.555 1.00 31.41 C ATOM 739 O GLU A 50 20.707 -20.704 8.918 1.00 32.33 O ATOM 740 CB GLU A 50 19.871 -21.457 6.364 1.00 13.15 C ATOM 741 CG GLU A 50 19.493 -22.803 6.959 1.00 65.52 C ATOM 742 CD GLU A 50 20.692 -23.558 7.501 1.00 33.02 C ATOM 743 OE1 GLU A 50 21.640 -23.800 6.726 1.00 44.23 O ATOM 744 OE2 GLU A 50 20.681 -23.907 8.700 1.00 12.11 O ATOM 0 H GLU A 50 20.609 -18.965 6.196 1.00 12.50 H new ATOM 0 HA GLU A 50 18.140 -20.357 7.005 1.00 13.41 H new ATOM 0 HB2 GLU A 50 19.582 -21.439 5.313 1.00 13.15 H new ATOM 0 HB3 GLU A 50 20.955 -21.345 6.399 1.00 13.15 H new ATOM 0 HG2 GLU A 50 18.771 -22.652 7.761 1.00 65.52 H new ATOM 0 HG3 GLU A 50 19.001 -23.408 6.197 1.00 65.52 H new ATOM 751 N TYR A 51 18.704 -19.800 9.401 1.00 43.22 N ATOM 752 CA TYR A 51 18.951 -19.749 10.837 1.00 41.51 C ATOM 753 C TYR A 51 17.858 -18.959 11.550 1.00 53.43 C ATOM 754 O TYR A 51 16.817 -18.653 10.967 1.00 72.41 O ATOM 755 CB TYR A 51 20.317 -19.119 11.119 1.00 75.51 C ATOM 756 CG TYR A 51 21.281 -20.053 11.814 1.00 24.03 C ATOM 757 CD1 TYR A 51 20.928 -20.698 12.993 1.00 54.10 C ATOM 758 CD2 TYR A 51 22.547 -20.291 11.292 1.00 52.02 C ATOM 759 CE1 TYR A 51 21.806 -21.551 13.632 1.00 44.00 C ATOM 760 CE2 TYR A 51 23.432 -21.144 11.923 1.00 15.32 C ATOM 761 CZ TYR A 51 23.057 -21.771 13.093 1.00 11.22 C ATOM 762 OH TYR A 51 23.935 -22.621 13.726 1.00 74.01 O ATOM 0 H TYR A 51 17.791 -19.444 9.117 1.00 43.22 H new ATOM 0 HA TYR A 51 18.943 -20.770 11.218 1.00 41.51 H new ATOM 0 HB2 TYR A 51 20.757 -18.790 10.178 1.00 75.51 H new ATOM 0 HB3 TYR A 51 20.178 -18.230 11.734 1.00 75.51 H new ATOM 0 HD1 TYR A 51 19.949 -20.529 13.417 1.00 54.10 H new ATOM 0 HD2 TYR A 51 22.844 -19.800 10.377 1.00 52.02 H new ATOM 0 HE1 TYR A 51 21.515 -22.043 14.548 1.00 44.00 H new ATOM 0 HE2 TYR A 51 24.411 -21.319 11.503 1.00 15.32 H new ATOM 0 HH TYR A 51 24.771 -22.667 13.216 1.00 74.01 H new ATOM 772 N ILE A 52 18.103 -18.630 12.814 1.00 74.42 N ATOM 773 CA ILE A 52 17.141 -17.875 13.606 1.00 12.44 C ATOM 774 C ILE A 52 16.709 -16.604 12.882 1.00 60.21 C ATOM 775 O ILE A 52 17.250 -16.263 11.831 1.00 54.21 O ATOM 776 CB ILE A 52 17.719 -17.496 14.983 1.00 43.04 C ATOM 777 CG1 ILE A 52 19.214 -17.192 14.866 1.00 63.04 C ATOM 778 CG2 ILE A 52 17.477 -18.615 15.985 1.00 45.22 C ATOM 779 CD1 ILE A 52 19.538 -16.147 13.821 1.00 5.02 C ATOM 0 H ILE A 52 18.959 -18.875 13.311 1.00 74.42 H new ATOM 0 HA ILE A 52 16.275 -18.521 13.749 1.00 12.44 H new ATOM 0 HB ILE A 52 17.212 -16.600 15.340 1.00 43.04 H new ATOM 0 HG12 ILE A 52 19.585 -16.854 15.834 1.00 63.04 H new ATOM 0 HG13 ILE A 52 19.746 -18.112 14.625 1.00 63.04 H new ATOM 0 HG21 ILE A 52 17.891 -18.332 16.953 1.00 45.22 H new ATOM 0 HG22 ILE A 52 16.406 -18.788 16.085 1.00 45.22 H new ATOM 0 HG23 ILE A 52 17.961 -19.527 15.636 1.00 45.22 H new ATOM 0 HD11 ILE A 52 20.615 -15.982 13.793 1.00 5.02 H new ATOM 0 HD12 ILE A 52 19.198 -16.492 12.844 1.00 5.02 H new ATOM 0 HD13 ILE A 52 19.034 -15.213 14.072 1.00 5.02 H new ATOM 791 N ASN A 53 15.732 -15.907 13.453 1.00 41.12 N ATOM 792 CA ASN A 53 15.228 -14.672 12.862 1.00 21.50 C ATOM 793 C ASN A 53 16.058 -13.475 13.314 1.00 40.32 C ATOM 794 O ASN A 53 15.516 -12.466 13.767 1.00 22.32 O ATOM 795 CB ASN A 53 13.761 -14.463 13.242 1.00 52.23 C ATOM 796 CG ASN A 53 13.033 -13.561 12.263 1.00 65.20 C ATOM 797 OD1 ASN A 53 13.096 -12.336 12.366 1.00 21.01 O ATOM 798 ND2 ASN A 53 12.338 -14.166 11.307 1.00 41.54 N ATOM 0 H ASN A 53 15.274 -16.176 14.324 1.00 41.12 H new ATOM 0 HA ASN A 53 15.307 -14.758 11.778 1.00 21.50 H new ATOM 0 HB2 ASN A 53 13.258 -15.429 13.285 1.00 52.23 H new ATOM 0 HB3 ASN A 53 13.705 -14.030 14.241 1.00 52.23 H new ATOM 0 HD21 ASN A 53 11.828 -13.612 10.619 1.00 41.54 H new ATOM 0 HD22 ASN A 53 12.314 -15.185 11.261 1.00 41.54 H new ATOM 805 N TYR A 54 17.375 -13.593 13.186 1.00 11.23 N ATOM 806 CA TYR A 54 18.280 -12.521 13.583 1.00 44.11 C ATOM 807 C TYR A 54 19.736 -12.942 13.401 1.00 15.14 C ATOM 808 O TYR A 54 20.588 -12.649 14.239 1.00 35.32 O ATOM 809 CB TYR A 54 18.030 -12.126 15.039 1.00 31.13 C ATOM 810 CG TYR A 54 17.940 -13.307 15.980 1.00 40.51 C ATOM 811 CD1 TYR A 54 19.082 -13.851 16.555 1.00 52.42 C ATOM 812 CD2 TYR A 54 16.713 -13.877 16.294 1.00 33.23 C ATOM 813 CE1 TYR A 54 19.004 -14.930 17.414 1.00 42.50 C ATOM 814 CE2 TYR A 54 16.625 -14.955 17.154 1.00 65.44 C ATOM 815 CZ TYR A 54 17.774 -15.478 17.710 1.00 30.25 C ATOM 816 OH TYR A 54 17.692 -16.552 18.567 1.00 63.10 O ATOM 0 H TYR A 54 17.839 -14.420 12.811 1.00 11.23 H new ATOM 0 HA TYR A 54 18.086 -11.661 12.942 1.00 44.11 H new ATOM 0 HB2 TYR A 54 18.833 -11.468 15.371 1.00 31.13 H new ATOM 0 HB3 TYR A 54 17.104 -11.554 15.098 1.00 31.13 H new ATOM 0 HD1 TYR A 54 20.047 -13.423 16.326 1.00 52.42 H new ATOM 0 HD2 TYR A 54 15.812 -13.471 15.858 1.00 33.23 H new ATOM 0 HE1 TYR A 54 19.901 -15.342 17.851 1.00 42.50 H new ATOM 0 HE2 TYR A 54 15.663 -15.385 17.389 1.00 65.44 H new ATOM 0 HH TYR A 54 16.754 -16.817 18.671 1.00 63.10 H new ATOM 826 N GLY A 55 20.012 -13.631 12.299 1.00 63.34 N ATOM 827 CA GLY A 55 21.364 -14.082 12.025 1.00 5.41 C ATOM 828 C GLY A 55 21.415 -15.139 10.940 1.00 1.01 C ATOM 829 O GLY A 55 20.503 -15.243 10.122 1.00 54.34 O ATOM 0 H GLY A 55 19.324 -13.885 11.591 1.00 63.34 H new ATOM 0 HA2 GLY A 55 21.974 -13.230 11.726 1.00 5.41 H new ATOM 0 HA3 GLY A 55 21.802 -14.483 12.939 1.00 5.41 H new ATOM 833 N GLY A 56 22.487 -15.926 10.932 1.00 32.12 N ATOM 834 CA GLY A 56 22.634 -16.969 9.934 1.00 72.10 C ATOM 835 C GLY A 56 23.462 -16.522 8.746 1.00 41.21 C ATOM 836 O GLY A 56 24.057 -15.444 8.766 1.00 60.21 O ATOM 0 H GLY A 56 23.256 -15.860 11.599 1.00 32.12 H new ATOM 0 HA2 GLY A 56 23.101 -17.841 10.391 1.00 72.10 H new ATOM 0 HA3 GLY A 56 21.648 -17.279 9.589 1.00 72.10 H new ATOM 840 N ARG A 57 23.503 -17.352 7.709 1.00 54.23 N ATOM 841 CA ARG A 57 24.267 -17.037 6.508 1.00 72.13 C ATOM 842 C ARG A 57 23.502 -16.063 5.616 1.00 31.13 C ATOM 843 O ARG A 57 22.523 -16.436 4.969 1.00 13.45 O ATOM 844 CB ARG A 57 24.584 -18.316 5.730 1.00 41.53 C ATOM 845 CG ARG A 57 25.172 -18.060 4.352 1.00 45.22 C ATOM 846 CD ARG A 57 24.222 -18.501 3.250 1.00 64.34 C ATOM 847 NE ARG A 57 24.935 -19.065 2.106 1.00 32.02 N ATOM 848 CZ ARG A 57 24.333 -19.695 1.103 1.00 1.32 C ATOM 849 NH1 ARG A 57 23.015 -19.840 1.102 1.00 2.15 N ATOM 850 NH2 ARG A 57 25.050 -20.180 0.098 1.00 61.43 N ATOM 0 H ARG A 57 23.016 -18.248 7.676 1.00 54.23 H new ATOM 0 HA ARG A 57 25.200 -16.565 6.815 1.00 72.13 H new ATOM 0 HB2 ARG A 57 25.284 -18.919 6.308 1.00 41.53 H new ATOM 0 HB3 ARG A 57 23.671 -18.902 5.623 1.00 41.53 H new ATOM 0 HG2 ARG A 57 25.392 -16.998 4.241 1.00 45.22 H new ATOM 0 HG3 ARG A 57 26.117 -18.594 4.254 1.00 45.22 H new ATOM 0 HD2 ARG A 57 23.527 -19.242 3.645 1.00 64.34 H new ATOM 0 HD3 ARG A 57 23.627 -17.649 2.922 1.00 64.34 H new ATOM 0 HE ARG A 57 25.950 -18.970 2.076 1.00 32.02 H new ATOM 0 HH11 ARG A 57 22.460 -19.467 1.873 1.00 2.15 H new ATOM 0 HH12 ARG A 57 22.556 -20.324 0.331 1.00 2.15 H new ATOM 0 HH21 ARG A 57 26.064 -20.069 0.095 1.00 61.43 H new ATOM 0 HH22 ARG A 57 24.587 -20.664 -0.672 1.00 61.43 H new ATOM 864 N TYR A 58 23.955 -14.815 5.588 1.00 41.21 N ATOM 865 CA TYR A 58 23.312 -13.786 4.779 1.00 60.54 C ATOM 866 C TYR A 58 23.697 -13.930 3.309 1.00 14.12 C ATOM 867 O TYR A 58 24.836 -13.665 2.926 1.00 70.13 O ATOM 868 CB TYR A 58 23.697 -12.395 5.284 1.00 34.14 C ATOM 869 CG TYR A 58 23.374 -11.286 4.309 1.00 11.42 C ATOM 870 CD1 TYR A 58 22.166 -11.267 3.623 1.00 41.43 C ATOM 871 CD2 TYR A 58 24.277 -10.256 4.075 1.00 13.40 C ATOM 872 CE1 TYR A 58 21.868 -10.255 2.730 1.00 34.42 C ATOM 873 CE2 TYR A 58 23.986 -9.239 3.185 1.00 20.44 C ATOM 874 CZ TYR A 58 22.781 -9.244 2.515 1.00 15.02 C ATOM 875 OH TYR A 58 22.486 -8.234 1.628 1.00 23.01 O ATOM 0 H TYR A 58 24.765 -14.491 6.116 1.00 41.21 H new ATOM 0 HA TYR A 58 22.233 -13.911 4.868 1.00 60.54 H new ATOM 0 HB2 TYR A 58 23.180 -12.203 6.224 1.00 34.14 H new ATOM 0 HB3 TYR A 58 24.765 -12.379 5.499 1.00 34.14 H new ATOM 0 HD1 TYR A 58 21.448 -12.056 3.790 1.00 41.43 H new ATOM 0 HD2 TYR A 58 25.222 -10.250 4.597 1.00 13.40 H new ATOM 0 HE1 TYR A 58 20.925 -10.256 2.203 1.00 34.42 H new ATOM 0 HE2 TYR A 58 24.698 -8.445 3.016 1.00 20.44 H new ATOM 0 HH TYR A 58 22.703 -8.524 0.718 1.00 23.01 H new ATOM 885 N TRP A 59 22.738 -14.350 2.492 1.00 32.32 N ATOM 886 CA TRP A 59 22.975 -14.529 1.064 1.00 15.21 C ATOM 887 C TRP A 59 21.798 -14.007 0.248 1.00 55.43 C ATOM 888 O TRP A 59 20.742 -14.637 0.190 1.00 71.54 O ATOM 889 CB TRP A 59 23.216 -16.006 0.747 1.00 51.51 C ATOM 890 CG TRP A 59 22.834 -16.383 -0.652 1.00 41.44 C ATOM 891 CD1 TRP A 59 23.392 -15.916 -1.808 1.00 62.13 C ATOM 892 CD2 TRP A 59 21.809 -17.303 -1.042 1.00 61.15 C ATOM 893 NE1 TRP A 59 22.776 -16.491 -2.893 1.00 71.24 N ATOM 894 CE2 TRP A 59 21.802 -17.346 -2.450 1.00 70.45 C ATOM 895 CE3 TRP A 59 20.898 -18.096 -0.340 1.00 23.43 C ATOM 896 CZ2 TRP A 59 20.919 -18.151 -3.166 1.00 14.44 C ATOM 897 CZ3 TRP A 59 20.022 -18.894 -1.051 1.00 1.20 C ATOM 898 CH2 TRP A 59 20.038 -18.917 -2.452 1.00 14.10 C ATOM 0 H TRP A 59 21.789 -14.573 2.793 1.00 32.32 H new ATOM 0 HA TRP A 59 23.863 -13.957 0.794 1.00 15.21 H new ATOM 0 HB2 TRP A 59 24.270 -16.236 0.903 1.00 51.51 H new ATOM 0 HB3 TRP A 59 22.649 -16.618 1.448 1.00 51.51 H new ATOM 0 HD1 TRP A 59 24.199 -15.200 -1.861 1.00 62.13 H new ATOM 0 HE1 TRP A 59 23.007 -16.310 -3.870 1.00 71.24 H new ATOM 0 HE3 TRP A 59 20.879 -18.086 0.740 1.00 23.43 H new ATOM 0 HZ2 TRP A 59 20.929 -18.170 -4.246 1.00 14.44 H new ATOM 0 HZ3 TRP A 59 19.313 -19.510 -0.518 1.00 1.20 H new ATOM 0 HH2 TRP A 59 19.341 -19.552 -2.979 1.00 14.10 H new ATOM 909 N ASP A 60 21.986 -12.852 -0.381 1.00 54.25 N ATOM 910 CA ASP A 60 20.939 -12.246 -1.196 1.00 51.32 C ATOM 911 C ASP A 60 21.023 -12.732 -2.640 1.00 24.35 C ATOM 912 O ASP A 60 22.107 -12.801 -3.220 1.00 64.33 O ATOM 913 CB ASP A 60 21.047 -10.721 -1.152 1.00 4.31 C ATOM 914 CG ASP A 60 22.474 -10.237 -1.319 1.00 4.32 C ATOM 915 OD1 ASP A 60 23.240 -10.295 -0.334 1.00 0.34 O ATOM 916 OD2 ASP A 60 22.826 -9.801 -2.435 1.00 12.32 O ATOM 0 H ASP A 60 22.853 -12.317 -0.342 1.00 54.25 H new ATOM 0 HA ASP A 60 19.975 -12.547 -0.786 1.00 51.32 H new ATOM 0 HB2 ASP A 60 20.427 -10.293 -1.939 1.00 4.31 H new ATOM 0 HB3 ASP A 60 20.652 -10.359 -0.203 1.00 4.31 H new ATOM 921 N LEU A 61 19.874 -13.070 -3.213 1.00 15.22 N ATOM 922 CA LEU A 61 19.817 -13.551 -4.589 1.00 31.54 C ATOM 923 C LEU A 61 19.413 -12.431 -5.542 1.00 25.03 C ATOM 924 O LEU A 61 18.917 -11.389 -5.116 1.00 41.12 O ATOM 925 CB LEU A 61 18.829 -14.714 -4.703 1.00 1.14 C ATOM 926 CG LEU A 61 17.399 -14.343 -5.098 1.00 64.34 C ATOM 927 CD1 LEU A 61 16.541 -15.592 -5.229 1.00 42.05 C ATOM 928 CD2 LEU A 61 16.797 -13.384 -4.083 1.00 15.31 C ATOM 0 H LEU A 61 18.968 -13.020 -2.746 1.00 15.22 H new ATOM 0 HA LEU A 61 20.812 -13.898 -4.867 1.00 31.54 H new ATOM 0 HB2 LEU A 61 19.215 -15.422 -5.436 1.00 1.14 H new ATOM 0 HB3 LEU A 61 18.797 -15.233 -3.745 1.00 1.14 H new ATOM 0 HG LEU A 61 17.428 -13.843 -6.066 1.00 64.34 H new ATOM 0 HD11 LEU A 61 15.527 -15.309 -5.511 1.00 42.05 H new ATOM 0 HD12 LEU A 61 16.962 -16.244 -5.995 1.00 42.05 H new ATOM 0 HD13 LEU A 61 16.519 -16.120 -4.276 1.00 42.05 H new ATOM 0 HD21 LEU A 61 15.779 -13.131 -4.380 1.00 15.31 H new ATOM 0 HD22 LEU A 61 16.781 -13.857 -3.101 1.00 15.31 H new ATOM 0 HD23 LEU A 61 17.398 -12.476 -4.039 1.00 15.31 H new ATOM 940 N GLY A 62 19.629 -12.654 -6.835 1.00 35.53 N ATOM 941 CA GLY A 62 19.280 -11.656 -7.828 1.00 54.22 C ATOM 942 C GLY A 62 18.472 -12.234 -8.973 1.00 62.41 C ATOM 943 O GLY A 62 18.092 -13.405 -8.964 1.00 23.45 O ATOM 0 H GLY A 62 20.040 -13.508 -7.212 1.00 35.53 H new ATOM 0 HA2 GLY A 62 18.710 -10.858 -7.352 1.00 54.22 H new ATOM 0 HA3 GLY A 62 20.191 -11.206 -8.222 1.00 54.22 H new ATOM 947 N PRO A 63 18.197 -11.402 -9.988 1.00 52.11 N ATOM 948 CA PRO A 63 17.425 -11.815 -11.164 1.00 63.40 C ATOM 949 C PRO A 63 17.986 -13.078 -11.810 1.00 54.45 C ATOM 950 O PRO A 63 19.116 -13.089 -12.295 1.00 24.22 O ATOM 951 CB PRO A 63 17.560 -10.623 -12.114 1.00 43.21 C ATOM 952 CG PRO A 63 17.835 -9.459 -11.225 1.00 64.52 C ATOM 953 CD PRO A 63 18.618 -9.993 -10.066 1.00 52.03 C ATOM 0 HA PRO A 63 16.394 -12.059 -10.910 1.00 63.40 H new ATOM 0 HB2 PRO A 63 18.369 -10.776 -12.828 1.00 43.21 H new ATOM 0 HB3 PRO A 63 16.649 -10.473 -12.693 1.00 43.21 H new ATOM 0 HG2 PRO A 63 18.398 -8.690 -11.754 1.00 64.52 H new ATOM 0 HG3 PRO A 63 16.906 -8.999 -10.888 1.00 64.52 H new ATOM 0 HD2 PRO A 63 19.692 -9.903 -10.231 1.00 52.03 H new ATOM 0 HD3 PRO A 63 18.391 -9.455 -9.146 1.00 52.03 H new ATOM 961 N GLY A 64 17.186 -14.140 -11.815 1.00 11.01 N ATOM 962 CA GLY A 64 17.620 -15.393 -12.405 1.00 40.31 C ATOM 963 C GLY A 64 16.869 -16.586 -11.849 1.00 61.42 C ATOM 964 O GLY A 64 16.351 -16.537 -10.734 1.00 52.34 O ATOM 0 H GLY A 64 16.245 -14.155 -11.421 1.00 11.01 H new ATOM 0 HA2 GLY A 64 17.480 -15.350 -13.485 1.00 40.31 H new ATOM 0 HA3 GLY A 64 18.687 -15.524 -12.227 1.00 40.31 H new ATOM 968 N GLU A 65 16.809 -17.661 -12.629 1.00 22.50 N ATOM 969 CA GLU A 65 16.113 -18.872 -12.208 1.00 4.20 C ATOM 970 C GLU A 65 17.095 -20.023 -12.012 1.00 22.43 C ATOM 971 O GLU A 65 17.977 -20.249 -12.840 1.00 64.44 O ATOM 972 CB GLU A 65 15.052 -19.262 -13.239 1.00 45.33 C ATOM 973 CG GLU A 65 14.039 -20.268 -12.720 1.00 5.03 C ATOM 974 CD GLU A 65 14.098 -21.590 -13.460 1.00 52.13 C ATOM 975 OE1 GLU A 65 13.615 -21.646 -14.611 1.00 31.42 O ATOM 976 OE2 GLU A 65 14.625 -22.567 -12.890 1.00 64.41 O ATOM 0 H GLU A 65 17.233 -17.718 -13.555 1.00 22.50 H new ATOM 0 HA GLU A 65 15.625 -18.667 -11.255 1.00 4.20 H new ATOM 0 HB2 GLU A 65 14.526 -18.364 -13.564 1.00 45.33 H new ATOM 0 HB3 GLU A 65 15.546 -19.677 -14.117 1.00 45.33 H new ATOM 0 HG2 GLU A 65 14.216 -20.442 -11.659 1.00 5.03 H new ATOM 0 HG3 GLU A 65 13.037 -19.849 -12.811 1.00 5.03 H new ATOM 983 N TYR A 66 16.936 -20.748 -10.910 1.00 15.32 N ATOM 984 CA TYR A 66 17.809 -21.874 -10.602 1.00 51.02 C ATOM 985 C TYR A 66 17.146 -22.821 -9.606 1.00 44.20 C ATOM 986 O TYR A 66 16.216 -22.441 -8.896 1.00 12.34 O ATOM 987 CB TYR A 66 19.141 -21.375 -10.040 1.00 10.20 C ATOM 988 CG TYR A 66 18.987 -20.363 -8.927 1.00 44.54 C ATOM 989 CD1 TYR A 66 18.468 -20.731 -7.693 1.00 20.13 C ATOM 990 CD2 TYR A 66 19.363 -19.037 -9.111 1.00 72.30 C ATOM 991 CE1 TYR A 66 18.325 -19.809 -6.674 1.00 23.22 C ATOM 992 CE2 TYR A 66 19.225 -18.109 -8.097 1.00 50.13 C ATOM 993 CZ TYR A 66 18.705 -18.500 -6.881 1.00 4.42 C ATOM 994 OH TYR A 66 18.566 -17.579 -5.868 1.00 1.41 O ATOM 0 H TYR A 66 16.210 -20.575 -10.215 1.00 15.32 H new ATOM 0 HA TYR A 66 17.995 -22.421 -11.527 1.00 51.02 H new ATOM 0 HB2 TYR A 66 19.711 -22.227 -9.669 1.00 10.20 H new ATOM 0 HB3 TYR A 66 19.722 -20.929 -10.847 1.00 10.20 H new ATOM 0 HD1 TYR A 66 18.171 -21.756 -7.527 1.00 20.13 H new ATOM 0 HD2 TYR A 66 19.770 -18.727 -10.062 1.00 72.30 H new ATOM 0 HE1 TYR A 66 17.918 -20.112 -5.721 1.00 23.22 H new ATOM 0 HE2 TYR A 66 19.523 -17.083 -8.256 1.00 50.13 H new ATOM 0 HH TYR A 66 19.206 -17.779 -5.154 1.00 1.41 H new ATOM 1004 N SER A 67 17.634 -24.056 -9.560 1.00 22.41 N ATOM 1005 CA SER A 67 17.089 -25.060 -8.654 1.00 34.23 C ATOM 1006 C SER A 67 18.061 -25.350 -7.514 1.00 43.54 C ATOM 1007 O SER A 67 19.038 -26.078 -7.687 1.00 62.35 O ATOM 1008 CB SER A 67 16.779 -26.351 -9.415 1.00 12.40 C ATOM 1009 OG SER A 67 16.257 -26.070 -10.702 1.00 75.51 O ATOM 0 H SER A 67 18.406 -24.386 -10.140 1.00 22.41 H new ATOM 0 HA SER A 67 16.166 -24.666 -8.229 1.00 34.23 H new ATOM 0 HB2 SER A 67 17.686 -26.948 -9.509 1.00 12.40 H new ATOM 0 HB3 SER A 67 16.062 -26.947 -8.850 1.00 12.40 H new ATOM 0 HG SER A 67 16.069 -26.911 -11.169 1.00 75.51 H new ATOM 1015 N SER A 68 17.786 -24.773 -6.349 1.00 42.40 N ATOM 1016 CA SER A 68 18.638 -24.964 -5.181 1.00 61.41 C ATOM 1017 C SER A 68 18.259 -26.241 -4.436 1.00 44.13 C ATOM 1018 O SER A 68 17.080 -26.518 -4.216 1.00 24.33 O ATOM 1019 CB SER A 68 18.531 -23.761 -4.242 1.00 74.50 C ATOM 1020 OG SER A 68 18.604 -24.165 -2.886 1.00 31.23 O ATOM 0 H SER A 68 16.980 -24.169 -6.189 1.00 42.40 H new ATOM 0 HA SER A 68 19.668 -25.056 -5.525 1.00 61.41 H new ATOM 0 HB2 SER A 68 19.333 -23.055 -4.458 1.00 74.50 H new ATOM 0 HB3 SER A 68 17.590 -23.240 -4.419 1.00 74.50 H new ATOM 0 HG SER A 68 17.862 -23.766 -2.385 1.00 31.23 H new ATOM 1026 N VAL A 69 19.269 -27.015 -4.051 1.00 32.31 N ATOM 1027 CA VAL A 69 19.044 -28.262 -3.330 1.00 34.33 C ATOM 1028 C VAL A 69 20.206 -28.573 -2.393 1.00 73.22 C ATOM 1029 O VAL A 69 20.440 -29.729 -2.042 1.00 12.11 O ATOM 1030 CB VAL A 69 18.849 -29.444 -4.299 1.00 2.24 C ATOM 1031 CG1 VAL A 69 17.689 -29.173 -5.245 1.00 25.31 C ATOM 1032 CG2 VAL A 69 20.130 -29.712 -5.075 1.00 32.04 C ATOM 0 H VAL A 69 20.251 -26.800 -4.226 1.00 32.31 H new ATOM 0 HA VAL A 69 18.135 -28.129 -2.744 1.00 34.33 H new ATOM 0 HB VAL A 69 18.611 -30.334 -3.717 1.00 2.24 H new ATOM 0 HG11 VAL A 69 17.566 -30.019 -5.922 1.00 25.31 H new ATOM 0 HG12 VAL A 69 16.774 -29.034 -4.669 1.00 25.31 H new ATOM 0 HG13 VAL A 69 17.894 -28.272 -5.823 1.00 25.31 H new ATOM 0 HG21 VAL A 69 19.975 -30.550 -5.755 1.00 32.04 H new ATOM 0 HG22 VAL A 69 20.401 -28.825 -5.648 1.00 32.04 H new ATOM 0 HG23 VAL A 69 20.933 -29.953 -4.379 1.00 32.04 H new ATOM 1042 N GLU A 70 20.930 -27.533 -1.992 1.00 62.14 N ATOM 1043 CA GLU A 70 22.069 -27.696 -1.096 1.00 71.13 C ATOM 1044 C GLU A 70 22.821 -26.379 -0.928 1.00 25.32 C ATOM 1045 O GLU A 70 23.619 -26.222 -0.003 1.00 51.34 O ATOM 1046 CB GLU A 70 23.016 -28.773 -1.630 1.00 0.13 C ATOM 1047 CG GLU A 70 23.210 -28.721 -3.136 1.00 0.01 C ATOM 1048 CD GLU A 70 24.661 -28.891 -3.543 1.00 53.24 C ATOM 1049 OE1 GLU A 70 25.476 -28.001 -3.222 1.00 71.21 O ATOM 1050 OE2 GLU A 70 24.980 -29.914 -4.184 1.00 24.33 O ATOM 0 H GLU A 70 20.748 -26.569 -2.273 1.00 62.14 H new ATOM 0 HA GLU A 70 21.691 -28.006 -0.122 1.00 71.13 H new ATOM 0 HB2 GLU A 70 23.985 -28.666 -1.143 1.00 0.13 H new ATOM 0 HB3 GLU A 70 22.628 -29.754 -1.356 1.00 0.13 H new ATOM 0 HG2 GLU A 70 22.611 -29.503 -3.603 1.00 0.01 H new ATOM 0 HG3 GLU A 70 22.840 -27.768 -3.514 1.00 0.01 H new ATOM 1057 N SER A 71 22.562 -25.437 -1.828 1.00 41.25 N ATOM 1058 CA SER A 71 23.218 -24.135 -1.783 1.00 74.01 C ATOM 1059 C SER A 71 22.542 -23.222 -0.765 1.00 12.31 C ATOM 1060 O SER A 71 23.154 -22.286 -0.252 1.00 1.33 O ATOM 1061 CB SER A 71 23.195 -23.481 -3.166 1.00 3.32 C ATOM 1062 OG SER A 71 23.641 -22.137 -3.101 1.00 72.04 O ATOM 0 H SER A 71 21.902 -25.550 -2.598 1.00 41.25 H new ATOM 0 HA SER A 71 24.253 -24.287 -1.478 1.00 74.01 H new ATOM 0 HB2 SER A 71 23.829 -24.045 -3.849 1.00 3.32 H new ATOM 0 HB3 SER A 71 22.183 -23.513 -3.570 1.00 3.32 H new ATOM 0 HG SER A 71 23.619 -21.741 -3.997 1.00 72.04 H new ATOM 1068 N ALA A 72 21.275 -23.502 -0.478 1.00 13.52 N ATOM 1069 CA ALA A 72 20.515 -22.708 0.480 1.00 41.40 C ATOM 1070 C ALA A 72 20.780 -23.170 1.909 1.00 50.02 C ATOM 1071 O ALA A 72 21.315 -22.421 2.725 1.00 41.11 O ATOM 1072 CB ALA A 72 19.028 -22.782 0.166 1.00 22.40 C ATOM 0 H ALA A 72 20.753 -24.273 -0.895 1.00 13.52 H new ATOM 0 HA ALA A 72 20.841 -21.672 0.395 1.00 41.40 H new ATOM 0 HB1 ALA A 72 18.473 -22.185 0.889 1.00 22.40 H new ATOM 0 HB2 ALA A 72 18.848 -22.396 -0.837 1.00 22.40 H new ATOM 0 HB3 ALA A 72 18.696 -23.819 0.221 1.00 22.40 H new ATOM 1078 N GLY A 73 20.401 -24.410 2.205 1.00 53.41 N ATOM 1079 CA GLY A 73 20.605 -24.950 3.536 1.00 11.22 C ATOM 1080 C GLY A 73 19.836 -26.236 3.764 1.00 13.24 C ATOM 1081 O GLY A 73 18.616 -26.275 3.597 1.00 64.41 O ATOM 0 H GLY A 73 19.956 -25.050 1.547 1.00 53.41 H new ATOM 0 HA2 GLY A 73 21.668 -25.134 3.691 1.00 11.22 H new ATOM 0 HA3 GLY A 73 20.298 -24.211 4.276 1.00 11.22 H new ATOM 1085 N ILE A 74 20.549 -27.290 4.146 1.00 73.12 N ATOM 1086 CA ILE A 74 19.925 -28.583 4.396 1.00 31.43 C ATOM 1087 C ILE A 74 20.201 -29.061 5.818 1.00 11.31 C ATOM 1088 O ILE A 74 20.941 -30.018 6.045 1.00 0.15 O ATOM 1089 CB ILE A 74 20.422 -29.650 3.403 1.00 24.21 C ATOM 1090 CG1 ILE A 74 20.685 -29.020 2.034 1.00 71.44 C ATOM 1091 CG2 ILE A 74 19.409 -30.779 3.287 1.00 25.54 C ATOM 1092 CD1 ILE A 74 19.479 -28.317 1.451 1.00 70.44 C ATOM 0 H ILE A 74 21.559 -27.274 4.289 1.00 73.12 H new ATOM 0 HA ILE A 74 18.852 -28.446 4.263 1.00 31.43 H new ATOM 0 HB ILE A 74 21.358 -30.065 3.777 1.00 24.21 H new ATOM 0 HG12 ILE A 74 21.504 -28.306 2.123 1.00 71.44 H new ATOM 0 HG13 ILE A 74 21.012 -29.796 1.343 1.00 71.44 H new ATOM 0 HG21 ILE A 74 19.775 -31.525 2.582 1.00 25.54 H new ATOM 0 HG22 ILE A 74 19.267 -31.242 4.263 1.00 25.54 H new ATOM 0 HG23 ILE A 74 18.459 -30.380 2.933 1.00 25.54 H new ATOM 0 HD11 ILE A 74 19.738 -27.894 0.480 1.00 70.44 H new ATOM 0 HD12 ILE A 74 18.665 -29.031 1.330 1.00 70.44 H new ATOM 0 HD13 ILE A 74 19.164 -27.518 2.122 1.00 70.44 H new ATOM 1104 N PRO A 75 19.591 -28.380 6.800 1.00 52.14 N ATOM 1105 CA PRO A 75 19.753 -28.718 8.217 1.00 45.32 C ATOM 1106 C PRO A 75 18.902 -29.914 8.629 1.00 44.10 C ATOM 1107 O PRO A 75 18.379 -30.637 7.781 1.00 25.41 O ATOM 1108 CB PRO A 75 19.283 -27.453 8.939 1.00 5.32 C ATOM 1109 CG PRO A 75 18.302 -26.828 8.009 1.00 35.11 C ATOM 1110 CD PRO A 75 18.695 -27.228 6.602 1.00 72.35 C ATOM 0 HA PRO A 75 20.778 -29.004 8.453 1.00 45.32 H new ATOM 0 HB2 PRO A 75 18.823 -27.692 9.898 1.00 5.32 H new ATOM 0 HB3 PRO A 75 20.117 -26.782 9.145 1.00 5.32 H new ATOM 0 HG2 PRO A 75 17.290 -27.164 8.235 1.00 35.11 H new ATOM 0 HG3 PRO A 75 18.309 -25.743 8.116 1.00 35.11 H new ATOM 0 HD2 PRO A 75 17.824 -27.497 6.005 1.00 72.35 H new ATOM 0 HD3 PRO A 75 19.199 -26.414 6.081 1.00 72.35 H new ATOM 1118 N ASP A 76 18.767 -30.116 9.935 1.00 43.11 N ATOM 1119 CA ASP A 76 17.978 -31.224 10.460 1.00 72.14 C ATOM 1120 C ASP A 76 16.498 -30.858 10.516 1.00 31.03 C ATOM 1121 O ASP A 76 15.630 -31.721 10.394 1.00 70.22 O ATOM 1122 CB ASP A 76 18.473 -31.616 11.853 1.00 73.23 C ATOM 1123 CG ASP A 76 19.155 -32.970 11.865 1.00 43.22 C ATOM 1124 OD1 ASP A 76 18.673 -33.883 11.164 1.00 73.52 O ATOM 1125 OD2 ASP A 76 20.172 -33.116 12.576 1.00 53.11 O ATOM 0 H ASP A 76 19.194 -29.527 10.650 1.00 43.11 H new ATOM 0 HA ASP A 76 18.098 -32.074 9.788 1.00 72.14 H new ATOM 0 HB2 ASP A 76 19.169 -30.859 12.215 1.00 73.23 H new ATOM 0 HB3 ASP A 76 17.630 -31.631 12.544 1.00 73.23 H new ATOM 1130 N ASN A 77 16.218 -29.572 10.704 1.00 64.31 N ATOM 1131 CA ASN A 77 14.843 -29.092 10.779 1.00 63.13 C ATOM 1132 C ASN A 77 14.710 -27.720 10.125 1.00 72.34 C ATOM 1133 O ASN A 77 15.702 -27.024 9.911 1.00 41.03 O ATOM 1134 CB ASN A 77 14.384 -29.021 12.237 1.00 64.24 C ATOM 1135 CG ASN A 77 12.882 -29.170 12.378 1.00 52.44 C ATOM 1136 OD1 ASN A 77 12.346 -30.275 12.301 1.00 22.53 O ATOM 1137 ND2 ASN A 77 12.194 -28.053 12.584 1.00 10.34 N ATOM 0 H ASN A 77 16.925 -28.844 10.807 1.00 64.31 H new ATOM 0 HA ASN A 77 14.209 -29.796 10.240 1.00 63.13 H new ATOM 0 HB2 ASN A 77 14.879 -29.805 12.810 1.00 64.24 H new ATOM 0 HB3 ASN A 77 14.694 -28.068 12.667 1.00 64.24 H new ATOM 0 HD21 ASN A 77 11.180 -28.090 12.685 1.00 10.34 H new ATOM 0 HD22 ASN A 77 12.680 -27.158 12.641 1.00 10.34 H new ATOM 1144 N SER A 78 13.476 -27.338 9.810 1.00 62.32 N ATOM 1145 CA SER A 78 13.213 -26.051 9.177 1.00 35.22 C ATOM 1146 C SER A 78 13.586 -24.902 10.108 1.00 44.30 C ATOM 1147 O SER A 78 13.034 -24.769 11.200 1.00 0.44 O ATOM 1148 CB SER A 78 11.738 -25.945 8.784 1.00 51.01 C ATOM 1149 OG SER A 78 11.553 -26.246 7.412 1.00 41.05 O ATOM 0 H SER A 78 12.643 -27.901 9.983 1.00 62.32 H new ATOM 0 HA SER A 78 13.827 -25.983 8.279 1.00 35.22 H new ATOM 0 HB2 SER A 78 11.146 -26.629 9.393 1.00 51.01 H new ATOM 0 HB3 SER A 78 11.375 -24.938 8.991 1.00 51.01 H new ATOM 0 HG SER A 78 10.602 -26.173 7.186 1.00 41.05 H new ATOM 1155 N ILE A 79 14.528 -24.074 9.667 1.00 31.11 N ATOM 1156 CA ILE A 79 14.975 -22.935 10.459 1.00 23.43 C ATOM 1157 C ILE A 79 15.514 -21.822 9.567 1.00 70.52 C ATOM 1158 O ILE A 79 16.323 -21.002 10.000 1.00 65.42 O ATOM 1159 CB ILE A 79 16.067 -23.344 11.466 1.00 34.12 C ATOM 1160 CG1 ILE A 79 17.101 -24.248 10.792 1.00 51.32 C ATOM 1161 CG2 ILE A 79 15.445 -24.044 12.666 1.00 63.35 C ATOM 1162 CD1 ILE A 79 18.503 -24.066 11.328 1.00 24.14 C ATOM 0 H ILE A 79 14.996 -24.171 8.766 1.00 31.11 H new ATOM 0 HA ILE A 79 14.105 -22.570 11.005 1.00 23.43 H new ATOM 0 HB ILE A 79 16.573 -22.444 11.816 1.00 34.12 H new ATOM 0 HG12 ILE A 79 16.803 -25.288 10.923 1.00 51.32 H new ATOM 0 HG13 ILE A 79 17.102 -24.049 9.720 1.00 51.32 H new ATOM 0 HG21 ILE A 79 16.229 -24.327 13.369 1.00 63.35 H new ATOM 0 HG22 ILE A 79 14.743 -23.370 13.157 1.00 63.35 H new ATOM 0 HG23 ILE A 79 14.917 -24.937 12.333 1.00 63.35 H new ATOM 0 HD11 ILE A 79 19.183 -24.738 10.805 1.00 24.14 H new ATOM 0 HD12 ILE A 79 18.821 -23.035 11.172 1.00 24.14 H new ATOM 0 HD13 ILE A 79 18.517 -24.293 12.394 1.00 24.14 H new ATOM 1174 N SER A 80 15.058 -21.799 8.319 1.00 72.35 N ATOM 1175 CA SER A 80 15.495 -20.788 7.363 1.00 2.04 C ATOM 1176 C SER A 80 14.359 -19.824 7.034 1.00 22.15 C ATOM 1177 O SER A 80 13.194 -20.101 7.317 1.00 33.14 O ATOM 1178 CB SER A 80 16.003 -21.452 6.082 1.00 10.01 C ATOM 1179 OG SER A 80 16.464 -20.485 5.155 1.00 52.34 O ATOM 0 H SER A 80 14.386 -22.469 7.946 1.00 72.35 H new ATOM 0 HA SER A 80 16.308 -20.222 7.817 1.00 2.04 H new ATOM 0 HB2 SER A 80 16.810 -22.144 6.323 1.00 10.01 H new ATOM 0 HB3 SER A 80 15.203 -22.040 5.632 1.00 10.01 H new ATOM 0 HG SER A 80 16.863 -19.732 5.639 1.00 52.34 H new ATOM 1185 N SER A 81 14.708 -18.690 6.435 1.00 65.42 N ATOM 1186 CA SER A 81 13.720 -17.683 6.070 1.00 12.51 C ATOM 1187 C SER A 81 14.312 -16.668 5.097 1.00 2.52 C ATOM 1188 O SER A 81 15.529 -16.490 5.032 1.00 52.31 O ATOM 1189 CB SER A 81 13.205 -16.967 7.320 1.00 33.04 C ATOM 1190 OG SER A 81 12.133 -17.681 7.912 1.00 63.42 O ATOM 0 H SER A 81 15.668 -18.446 6.192 1.00 65.42 H new ATOM 0 HA SER A 81 12.888 -18.188 5.580 1.00 12.51 H new ATOM 0 HB2 SER A 81 14.016 -16.858 8.041 1.00 33.04 H new ATOM 0 HB3 SER A 81 12.875 -15.962 7.057 1.00 33.04 H new ATOM 0 HG SER A 81 12.242 -18.639 7.737 1.00 63.42 H new ATOM 1196 N PHE A 82 13.443 -16.004 4.342 1.00 11.13 N ATOM 1197 CA PHE A 82 13.879 -15.007 3.371 1.00 15.13 C ATOM 1198 C PHE A 82 12.812 -13.933 3.179 1.00 72.05 C ATOM 1199 O PHE A 82 11.625 -14.237 3.061 1.00 55.45 O ATOM 1200 CB PHE A 82 14.195 -15.674 2.031 1.00 2.31 C ATOM 1201 CG PHE A 82 12.972 -16.065 1.252 1.00 12.23 C ATOM 1202 CD1 PHE A 82 12.054 -16.958 1.782 1.00 52.45 C ATOM 1203 CD2 PHE A 82 12.740 -15.539 -0.008 1.00 74.55 C ATOM 1204 CE1 PHE A 82 10.928 -17.320 1.067 1.00 52.24 C ATOM 1205 CE2 PHE A 82 11.615 -15.898 -0.728 1.00 1.40 C ATOM 1206 CZ PHE A 82 10.707 -16.788 -0.189 1.00 65.21 C ATOM 0 H PHE A 82 12.433 -16.138 4.384 1.00 11.13 H new ATOM 0 HA PHE A 82 14.782 -14.532 3.754 1.00 15.13 H new ATOM 0 HB2 PHE A 82 14.797 -14.994 1.429 1.00 2.31 H new ATOM 0 HB3 PHE A 82 14.801 -16.562 2.210 1.00 2.31 H new ATOM 0 HD1 PHE A 82 12.220 -17.375 2.764 1.00 52.45 H new ATOM 0 HD2 PHE A 82 13.446 -14.841 -0.433 1.00 74.55 H new ATOM 0 HE1 PHE A 82 10.221 -18.018 1.490 1.00 52.24 H new ATOM 0 HE2 PHE A 82 11.447 -15.483 -1.711 1.00 1.40 H new ATOM 0 HZ PHE A 82 9.826 -17.068 -0.748 1.00 65.21 H new ATOM 1216 N ARG A 83 13.244 -12.677 3.148 1.00 1.32 N ATOM 1217 CA ARG A 83 12.327 -11.557 2.972 1.00 60.22 C ATOM 1218 C ARG A 83 12.160 -11.219 1.493 1.00 5.43 C ATOM 1219 O ARG A 83 13.131 -10.899 0.807 1.00 10.25 O ATOM 1220 CB ARG A 83 12.833 -10.331 3.733 1.00 44.41 C ATOM 1221 CG ARG A 83 12.627 -10.419 5.236 1.00 1.42 C ATOM 1222 CD ARG A 83 11.606 -9.400 5.719 1.00 62.21 C ATOM 1223 NE ARG A 83 11.164 -9.673 7.084 1.00 74.44 N ATOM 1224 CZ ARG A 83 11.889 -9.395 8.161 1.00 11.41 C ATOM 1225 NH1 ARG A 83 13.085 -8.837 8.033 1.00 20.21 N ATOM 1226 NH2 ARG A 83 11.418 -9.673 9.370 1.00 54.02 N ATOM 0 H ARG A 83 14.224 -12.409 3.242 1.00 1.32 H new ATOM 0 HA ARG A 83 11.356 -11.848 3.372 1.00 60.22 H new ATOM 0 HB2 ARG A 83 13.895 -10.199 3.528 1.00 44.41 H new ATOM 0 HB3 ARG A 83 12.323 -9.444 3.356 1.00 44.41 H new ATOM 0 HG2 ARG A 83 12.294 -11.423 5.501 1.00 1.42 H new ATOM 0 HG3 ARG A 83 13.577 -10.254 5.745 1.00 1.42 H new ATOM 0 HD2 ARG A 83 12.040 -8.401 5.671 1.00 62.21 H new ATOM 0 HD3 ARG A 83 10.745 -9.405 5.051 1.00 62.21 H new ATOM 0 HE ARG A 83 10.248 -10.101 7.217 1.00 74.44 H new ATOM 0 HH11 ARG A 83 13.450 -8.620 7.106 1.00 20.21 H new ATOM 0 HH12 ARG A 83 13.640 -8.624 8.862 1.00 20.21 H new ATOM 0 HH21 ARG A 83 10.498 -10.101 9.473 1.00 54.02 H new ATOM 0 HH22 ARG A 83 11.976 -9.459 10.196 1.00 54.02 H new ATOM 1240 N GLN A 84 10.924 -11.292 1.010 1.00 24.22 N ATOM 1241 CA GLN A 84 10.632 -10.995 -0.387 1.00 12.21 C ATOM 1242 C GLN A 84 10.565 -9.489 -0.620 1.00 60.15 C ATOM 1243 O GLN A 84 9.520 -8.867 -0.426 1.00 62.12 O ATOM 1244 CB GLN A 84 9.312 -11.647 -0.803 1.00 42.55 C ATOM 1245 CG GLN A 84 9.380 -13.163 -0.878 1.00 74.31 C ATOM 1246 CD GLN A 84 8.051 -13.823 -0.564 1.00 3.21 C ATOM 1247 OE1 GLN A 84 7.185 -13.944 -1.430 1.00 71.04 O ATOM 1248 NE2 GLN A 84 7.884 -14.254 0.681 1.00 53.40 N ATOM 0 H GLN A 84 10.109 -11.554 1.565 1.00 24.22 H new ATOM 0 HA GLN A 84 11.439 -11.403 -0.996 1.00 12.21 H new ATOM 0 HB2 GLN A 84 8.536 -11.361 -0.093 1.00 42.55 H new ATOM 0 HB3 GLN A 84 9.014 -11.256 -1.776 1.00 42.55 H new ATOM 0 HG2 GLN A 84 9.702 -13.460 -1.876 1.00 74.31 H new ATOM 0 HG3 GLN A 84 10.135 -13.524 -0.179 1.00 74.31 H new ATOM 0 HE21 GLN A 84 8.629 -14.133 1.367 1.00 53.40 H new ATOM 0 HE22 GLN A 84 7.011 -14.706 0.951 1.00 53.40 H new ATOM 1257 N ILE A 85 11.686 -8.910 -1.038 1.00 13.25 N ATOM 1258 CA ILE A 85 11.753 -7.477 -1.298 1.00 24.30 C ATOM 1259 C ILE A 85 12.180 -7.199 -2.735 1.00 71.44 C ATOM 1260 O ILE A 85 13.029 -6.345 -2.988 1.00 64.02 O ATOM 1261 CB ILE A 85 12.734 -6.776 -0.339 1.00 33.41 C ATOM 1262 CG1 ILE A 85 14.030 -7.581 -0.222 1.00 50.22 C ATOM 1263 CG2 ILE A 85 12.094 -6.590 1.029 1.00 24.20 C ATOM 1264 CD1 ILE A 85 15.279 -6.734 -0.332 1.00 75.01 C ATOM 0 H ILE A 85 12.559 -9.411 -1.204 1.00 13.25 H new ATOM 0 HA ILE A 85 10.751 -7.080 -1.135 1.00 24.30 H new ATOM 0 HB ILE A 85 12.975 -5.793 -0.743 1.00 33.41 H new ATOM 0 HG12 ILE A 85 14.038 -8.104 0.734 1.00 50.22 H new ATOM 0 HG13 ILE A 85 14.047 -8.342 -1.002 1.00 50.22 H new ATOM 0 HG21 ILE A 85 12.799 -6.094 1.696 1.00 24.20 H new ATOM 0 HG22 ILE A 85 11.196 -5.980 0.931 1.00 24.20 H new ATOM 0 HG23 ILE A 85 11.828 -7.563 1.442 1.00 24.20 H new ATOM 0 HD11 ILE A 85 16.159 -7.370 -0.240 1.00 75.01 H new ATOM 0 HD12 ILE A 85 15.294 -6.231 -1.299 1.00 75.01 H new ATOM 0 HD13 ILE A 85 15.285 -5.989 0.464 1.00 75.01 H new