USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 527 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 10 ASN : amide:sc= 0.466 K(o=0.47,f=-7.6!) USER MOD Set 1.2: A 15 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 2 LYS NZ :NH3+ 136:sc= 0.0226 (180deg=-0.309) USER MOD Set 2.2: A 20 GLN : amide:sc= -2.27 K(o=-2.3,f=-5.9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -146:sc= 0.282 (180deg=0.0123) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0256 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN :FLIP amide:sc= -2.63! C(o=-4.1!,f=-2.6!) USER MOD Single : A 29 HIS : no HD1:sc= -0.292 K(o=-0.29,f=-1.1) USER MOD Single : A 31 THR OG1 : rot 68:sc= -0.115 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.415 X(o=-0.41,f=-0.62) USER MOD Single : A 58 LYS NZ :NH3+ -121:sc=-0.00558 (180deg=-0.132) USER MOD Single : A 61 GLN :FLIP amide:sc= -1.97 F(o=-3.9,f=-2) USER MOD Single : A 63 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00125) USER MOD Single : A 64 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0816) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.097 0.958 -0.684 1.00 13.32 N ATOM 2 CA MET A 1 1.961 0.131 -1.517 1.00 43.14 C ATOM 3 C MET A 1 1.164 -0.537 -2.633 1.00 13.11 C ATOM 4 O MET A 1 0.522 -1.566 -2.421 1.00 20.10 O ATOM 5 CB MET A 1 2.660 -0.932 -0.667 1.00 42.34 C ATOM 6 CG MET A 1 3.847 -0.398 0.118 1.00 42.12 C ATOM 7 SD MET A 1 5.218 -1.567 0.184 1.00 5.21 S ATOM 8 CE MET A 1 4.932 -2.335 1.777 1.00 41.24 C ATOM 0 H1 MET A 1 1.627 1.790 -0.353 1.00 13.32 H new ATOM 0 H2 MET A 1 0.275 1.270 -1.239 1.00 13.32 H new ATOM 0 H3 MET A 1 0.772 0.406 0.135 1.00 13.32 H new ATOM 0 HA MET A 1 2.714 0.777 -1.969 1.00 43.14 H new ATOM 0 HB2 MET A 1 1.939 -1.362 0.028 1.00 42.34 H new ATOM 0 HB3 MET A 1 2.998 -1.740 -1.316 1.00 42.34 H new ATOM 0 HG2 MET A 1 4.189 0.532 -0.336 1.00 42.12 H new ATOM 0 HG3 MET A 1 3.529 -0.159 1.133 1.00 42.12 H new ATOM 0 HE1 MET A 1 5.701 -3.085 1.963 1.00 41.24 H new ATOM 0 HE2 MET A 1 4.968 -1.576 2.559 1.00 41.24 H new ATOM 0 HE3 MET A 1 3.952 -2.812 1.780 1.00 41.24 H new ATOM 18 N LYS A 2 1.208 0.055 -3.822 1.00 34.13 N ATOM 19 CA LYS A 2 0.490 -0.483 -4.972 1.00 2.34 C ATOM 20 C LYS A 2 1.414 -0.609 -6.179 1.00 30.33 C ATOM 21 O LYS A 2 2.388 0.133 -6.309 1.00 72.30 O ATOM 22 CB LYS A 2 -0.701 0.413 -5.320 1.00 32.45 C ATOM 23 CG LYS A 2 -1.772 0.445 -4.243 1.00 53.40 C ATOM 24 CD LYS A 2 -2.304 -0.946 -3.943 1.00 71.11 C ATOM 25 CE LYS A 2 -3.680 -0.890 -3.297 1.00 3.44 C ATOM 26 NZ LYS A 2 -4.722 -0.418 -4.250 1.00 62.22 N ATOM 0 H LYS A 2 1.733 0.908 -4.015 1.00 34.13 H new ATOM 0 HA LYS A 2 0.126 -1.476 -4.710 1.00 2.34 H new ATOM 0 HB2 LYS A 2 -0.343 1.428 -5.495 1.00 32.45 H new ATOM 0 HB3 LYS A 2 -1.146 0.066 -6.253 1.00 32.45 H new ATOM 0 HG2 LYS A 2 -1.361 0.882 -3.333 1.00 53.40 H new ATOM 0 HG3 LYS A 2 -2.592 1.088 -4.563 1.00 53.40 H new ATOM 0 HD2 LYS A 2 -2.358 -1.523 -4.866 1.00 71.11 H new ATOM 0 HD3 LYS A 2 -1.611 -1.467 -3.282 1.00 71.11 H new ATOM 0 HE2 LYS A 2 -3.948 -1.880 -2.927 1.00 3.44 H new ATOM 0 HE3 LYS A 2 -3.649 -0.225 -2.434 1.00 3.44 H new ATOM 0 HZ1 LYS A 2 -5.570 -1.013 -4.160 1.00 62.22 H new ATOM 0 HZ2 LYS A 2 -4.967 0.570 -4.035 1.00 62.22 H new ATOM 0 HZ3 LYS A 2 -4.357 -0.480 -5.222 1.00 62.22 H new ATOM 40 N LYS A 3 1.102 -1.553 -7.060 1.00 52.05 N ATOM 41 CA LYS A 3 1.902 -1.776 -8.259 1.00 54.41 C ATOM 42 C LYS A 3 1.012 -1.890 -9.493 1.00 44.42 C ATOM 43 O LYS A 3 -0.008 -2.577 -9.474 1.00 24.11 O ATOM 44 CB LYS A 3 2.745 -3.043 -8.106 1.00 71.52 C ATOM 45 CG LYS A 3 3.429 -3.160 -6.755 1.00 12.20 C ATOM 46 CD LYS A 3 4.698 -3.990 -6.842 1.00 62.51 C ATOM 47 CE LYS A 3 4.386 -5.473 -6.972 1.00 30.43 C ATOM 48 NZ LYS A 3 5.580 -6.318 -6.690 1.00 74.24 N ATOM 0 H LYS A 3 0.300 -2.177 -6.966 1.00 52.05 H new ATOM 0 HA LYS A 3 2.564 -0.920 -8.388 1.00 54.41 H new ATOM 0 HB2 LYS A 3 2.107 -3.914 -8.257 1.00 71.52 H new ATOM 0 HB3 LYS A 3 3.502 -3.062 -8.890 1.00 71.52 H new ATOM 0 HG2 LYS A 3 3.669 -2.165 -6.381 1.00 12.20 H new ATOM 0 HG3 LYS A 3 2.745 -3.614 -6.038 1.00 12.20 H new ATOM 0 HD2 LYS A 3 5.289 -3.665 -7.698 1.00 62.51 H new ATOM 0 HD3 LYS A 3 5.306 -3.822 -5.953 1.00 62.51 H new ATOM 0 HE2 LYS A 3 3.583 -5.737 -6.283 1.00 30.43 H new ATOM 0 HE3 LYS A 3 4.023 -5.681 -7.979 1.00 30.43 H new ATOM 0 HZ1 LYS A 3 5.326 -7.322 -6.789 1.00 74.24 H new ATOM 0 HZ2 LYS A 3 6.337 -6.084 -7.363 1.00 74.24 H new ATOM 0 HZ3 LYS A 3 5.911 -6.139 -5.721 1.00 74.24 H new ATOM 62 N GLY A 4 1.407 -1.212 -10.567 1.00 5.44 N ATOM 63 CA GLY A 4 0.636 -1.252 -11.795 1.00 14.41 C ATOM 64 C GLY A 4 1.330 -0.541 -12.939 1.00 51.45 C ATOM 65 O GLY A 4 2.351 0.120 -12.743 1.00 72.41 O ATOM 0 H GLY A 4 2.248 -0.636 -10.608 1.00 5.44 H new ATOM 0 HA2 GLY A 4 0.455 -2.290 -12.073 1.00 14.41 H new ATOM 0 HA3 GLY A 4 -0.338 -0.794 -11.624 1.00 14.41 H new ATOM 69 N THR A 5 0.777 -0.676 -14.141 1.00 13.22 N ATOM 70 CA THR A 5 1.351 -0.044 -15.322 1.00 14.30 C ATOM 71 C THR A 5 0.948 1.424 -15.411 1.00 20.13 C ATOM 72 O THR A 5 -0.161 1.798 -15.029 1.00 1.01 O ATOM 73 CB THR A 5 0.914 -0.763 -16.612 1.00 50.02 C ATOM 74 OG1 THR A 5 -0.488 -1.051 -16.562 1.00 42.22 O ATOM 75 CG2 THR A 5 1.695 -2.054 -16.803 1.00 25.10 C ATOM 0 H THR A 5 -0.068 -1.218 -14.322 1.00 13.22 H new ATOM 0 HA THR A 5 2.434 -0.115 -15.224 1.00 14.30 H new ATOM 0 HB THR A 5 1.119 -0.104 -17.456 1.00 50.02 H new ATOM 0 HG1 THR A 5 -0.758 -1.507 -17.387 1.00 42.22 H new ATOM 0 HG21 THR A 5 1.369 -2.544 -17.720 1.00 25.10 H new ATOM 0 HG22 THR A 5 2.759 -1.829 -16.870 1.00 25.10 H new ATOM 0 HG23 THR A 5 1.517 -2.716 -15.955 1.00 25.10 H new ATOM 83 N VAL A 6 1.856 2.252 -15.918 1.00 13.24 N ATOM 84 CA VAL A 6 1.594 3.680 -16.058 1.00 61.43 C ATOM 85 C VAL A 6 0.858 3.978 -17.359 1.00 73.25 C ATOM 86 O VAL A 6 1.097 3.336 -18.383 1.00 2.43 O ATOM 87 CB VAL A 6 2.900 4.496 -16.022 1.00 32.24 C ATOM 88 CG1 VAL A 6 3.432 4.715 -17.429 1.00 44.04 C ATOM 89 CG2 VAL A 6 2.678 5.824 -15.314 1.00 33.00 C ATOM 0 H VAL A 6 2.779 1.959 -16.238 1.00 13.24 H new ATOM 0 HA VAL A 6 0.968 3.972 -15.214 1.00 61.43 H new ATOM 0 HB VAL A 6 3.646 3.932 -15.462 1.00 32.24 H new ATOM 0 HG11 VAL A 6 4.355 5.293 -17.383 1.00 44.04 H new ATOM 0 HG12 VAL A 6 3.631 3.751 -17.897 1.00 44.04 H new ATOM 0 HG13 VAL A 6 2.692 5.258 -18.017 1.00 44.04 H new ATOM 0 HG21 VAL A 6 3.611 6.388 -15.297 1.00 33.00 H new ATOM 0 HG22 VAL A 6 1.917 6.396 -15.845 1.00 33.00 H new ATOM 0 HG23 VAL A 6 2.347 5.640 -14.292 1.00 33.00 H new ATOM 99 N LYS A 7 -0.040 4.956 -17.314 1.00 12.12 N ATOM 100 CA LYS A 7 -0.812 5.342 -18.489 1.00 40.40 C ATOM 101 C LYS A 7 -0.179 6.543 -19.185 1.00 14.42 C ATOM 102 O LYS A 7 -0.271 6.685 -20.404 1.00 50.12 O ATOM 103 CB LYS A 7 -2.253 5.670 -18.093 1.00 14.01 C ATOM 104 CG LYS A 7 -3.221 5.670 -19.264 1.00 1.42 C ATOM 105 CD LYS A 7 -3.761 4.278 -19.541 1.00 72.51 C ATOM 106 CE LYS A 7 -2.899 3.536 -20.552 1.00 12.34 C ATOM 107 NZ LYS A 7 -3.681 2.517 -21.305 1.00 43.25 N ATOM 0 H LYS A 7 -0.251 5.496 -16.475 1.00 12.12 H new ATOM 0 HA LYS A 7 -0.815 4.502 -19.183 1.00 40.40 H new ATOM 0 HB2 LYS A 7 -2.591 4.945 -17.353 1.00 14.01 H new ATOM 0 HB3 LYS A 7 -2.275 6.649 -17.614 1.00 14.01 H new ATOM 0 HG2 LYS A 7 -4.049 6.347 -19.053 1.00 1.42 H new ATOM 0 HG3 LYS A 7 -2.718 6.050 -20.153 1.00 1.42 H new ATOM 0 HD2 LYS A 7 -3.802 3.711 -18.611 1.00 72.51 H new ATOM 0 HD3 LYS A 7 -4.782 4.351 -19.916 1.00 72.51 H new ATOM 0 HE2 LYS A 7 -2.464 4.250 -21.252 1.00 12.34 H new ATOM 0 HE3 LYS A 7 -2.071 3.050 -20.036 1.00 12.34 H new ATOM 0 HZ1 LYS A 7 -3.059 2.033 -21.983 1.00 43.25 H new ATOM 0 HZ2 LYS A 7 -4.075 1.821 -20.640 1.00 43.25 H new ATOM 0 HZ3 LYS A 7 -4.456 2.984 -21.818 1.00 43.25 H new ATOM 121 N TRP A 8 0.463 7.404 -18.403 1.00 34.43 N ATOM 122 CA TRP A 8 1.112 8.592 -18.945 1.00 72.20 C ATOM 123 C TRP A 8 1.867 9.345 -17.855 1.00 71.33 C ATOM 124 O TRP A 8 1.389 9.468 -16.727 1.00 50.45 O ATOM 125 CB TRP A 8 0.077 9.512 -19.595 1.00 31.15 C ATOM 126 CG TRP A 8 -0.726 10.297 -18.602 1.00 30.12 C ATOM 127 CD1 TRP A 8 -0.338 11.432 -17.948 1.00 74.33 C ATOM 128 CD2 TRP A 8 -2.052 10.004 -18.149 1.00 73.20 C ATOM 129 NE1 TRP A 8 -1.344 11.862 -17.116 1.00 60.24 N ATOM 130 CE2 TRP A 8 -2.406 11.004 -17.222 1.00 33.41 C ATOM 131 CE3 TRP A 8 -2.976 8.996 -18.438 1.00 21.21 C ATOM 132 CZ2 TRP A 8 -3.643 11.021 -16.583 1.00 12.31 C ATOM 133 CZ3 TRP A 8 -4.203 9.015 -17.803 1.00 21.45 C ATOM 134 CH2 TRP A 8 -4.528 10.022 -16.884 1.00 71.05 C ATOM 0 H TRP A 8 0.548 7.301 -17.392 1.00 34.43 H new ATOM 0 HA TRP A 8 1.828 8.271 -19.701 1.00 72.20 H new ATOM 0 HB2 TRP A 8 0.586 10.203 -20.267 1.00 31.15 H new ATOM 0 HB3 TRP A 8 -0.599 8.913 -20.206 1.00 31.15 H new ATOM 0 HD1 TRP A 8 0.618 11.920 -18.067 1.00 74.33 H new ATOM 0 HE1 TRP A 8 -1.306 12.687 -16.517 1.00 60.24 H new ATOM 0 HE3 TRP A 8 -2.735 8.216 -19.145 1.00 21.21 H new ATOM 0 HZ2 TRP A 8 -3.895 11.796 -15.874 1.00 12.31 H new ATOM 0 HZ3 TRP A 8 -4.924 8.240 -18.019 1.00 21.45 H new ATOM 0 HH2 TRP A 8 -5.496 10.009 -16.404 1.00 71.05 H new ATOM 145 N PHE A 9 3.049 9.847 -18.199 1.00 35.51 N ATOM 146 CA PHE A 9 3.870 10.587 -17.249 1.00 1.23 C ATOM 147 C PHE A 9 4.405 11.871 -17.877 1.00 64.51 C ATOM 148 O PHE A 9 5.393 11.850 -18.610 1.00 40.02 O ATOM 149 CB PHE A 9 5.033 9.720 -16.763 1.00 65.24 C ATOM 150 CG PHE A 9 6.005 10.456 -15.886 1.00 40.32 C ATOM 151 CD1 PHE A 9 5.806 10.527 -14.517 1.00 25.02 C ATOM 152 CD2 PHE A 9 7.117 11.079 -16.431 1.00 73.52 C ATOM 153 CE1 PHE A 9 6.699 11.204 -13.707 1.00 31.44 C ATOM 154 CE2 PHE A 9 8.013 11.756 -15.626 1.00 14.20 C ATOM 155 CZ PHE A 9 7.803 11.820 -14.262 1.00 72.13 C ATOM 0 H PHE A 9 3.459 9.754 -19.128 1.00 35.51 H new ATOM 0 HA PHE A 9 3.244 10.853 -16.397 1.00 1.23 H new ATOM 0 HB2 PHE A 9 4.635 8.867 -16.214 1.00 65.24 H new ATOM 0 HB3 PHE A 9 5.565 9.322 -17.627 1.00 65.24 H new ATOM 0 HD1 PHE A 9 4.944 10.048 -14.077 1.00 25.02 H new ATOM 0 HD2 PHE A 9 7.285 11.035 -17.497 1.00 73.52 H new ATOM 0 HE1 PHE A 9 6.533 11.251 -12.641 1.00 31.44 H new ATOM 0 HE2 PHE A 9 8.877 12.235 -16.063 1.00 14.20 H new ATOM 0 HZ PHE A 9 8.501 12.351 -13.631 1.00 72.13 H new ATOM 165 N ASN A 10 3.745 12.986 -17.584 1.00 73.02 N ATOM 166 CA ASN A 10 4.153 14.279 -18.121 1.00 14.20 C ATOM 167 C ASN A 10 5.540 14.665 -17.616 1.00 73.32 C ATOM 168 O ASN A 10 5.694 15.125 -16.485 1.00 41.14 O ATOM 169 CB ASN A 10 3.139 15.358 -17.734 1.00 71.02 C ATOM 170 CG ASN A 10 3.254 16.597 -18.601 1.00 2.11 C ATOM 171 OD1 ASN A 10 4.349 16.981 -19.011 1.00 44.33 O ATOM 172 ND2 ASN A 10 2.121 17.229 -18.883 1.00 71.02 N ATOM 0 H ASN A 10 2.925 13.021 -16.978 1.00 73.02 H new ATOM 0 HA ASN A 10 4.191 14.198 -19.207 1.00 14.20 H new ATOM 0 HB2 ASN A 10 2.131 14.952 -17.817 1.00 71.02 H new ATOM 0 HB3 ASN A 10 3.286 15.634 -16.690 1.00 71.02 H new ATOM 0 HD21 ASN A 10 2.136 18.069 -19.461 1.00 71.02 H new ATOM 0 HD22 ASN A 10 1.236 16.874 -18.521 1.00 71.02 H new ATOM 179 N ALA A 11 6.546 14.474 -18.463 1.00 71.52 N ATOM 180 CA ALA A 11 7.920 14.803 -18.104 1.00 54.54 C ATOM 181 C ALA A 11 8.179 16.300 -18.242 1.00 73.13 C ATOM 182 O ALA A 11 9.091 16.840 -17.619 1.00 4.43 O ATOM 183 CB ALA A 11 8.894 14.015 -18.967 1.00 41.41 C ATOM 0 H ALA A 11 6.435 14.093 -19.403 1.00 71.52 H new ATOM 0 HA ALA A 11 8.073 14.529 -17.060 1.00 54.54 H new ATOM 0 HB1 ALA A 11 9.916 14.271 -18.688 1.00 41.41 H new ATOM 0 HB2 ALA A 11 8.733 12.948 -18.816 1.00 41.41 H new ATOM 0 HB3 ALA A 11 8.732 14.261 -20.016 1.00 41.41 H new ATOM 189 N GLU A 12 7.370 16.963 -19.063 1.00 61.33 N ATOM 190 CA GLU A 12 7.514 18.397 -19.283 1.00 64.03 C ATOM 191 C GLU A 12 7.103 19.182 -18.041 1.00 24.01 C ATOM 192 O GLU A 12 7.780 20.128 -17.638 1.00 25.14 O ATOM 193 CB GLU A 12 6.672 18.839 -20.481 1.00 55.13 C ATOM 194 CG GLU A 12 7.178 20.108 -21.147 1.00 32.33 C ATOM 195 CD GLU A 12 6.834 21.357 -20.359 1.00 24.14 C ATOM 196 OE1 GLU A 12 5.768 21.373 -19.708 1.00 63.31 O ATOM 197 OE2 GLU A 12 7.631 22.318 -20.392 1.00 54.14 O ATOM 0 H GLU A 12 6.609 16.530 -19.586 1.00 61.33 H new ATOM 0 HA GLU A 12 8.564 18.603 -19.491 1.00 64.03 H new ATOM 0 HB2 GLU A 12 6.653 18.035 -21.217 1.00 55.13 H new ATOM 0 HB3 GLU A 12 5.644 18.996 -20.154 1.00 55.13 H new ATOM 0 HG2 GLU A 12 8.260 20.045 -21.267 1.00 32.33 H new ATOM 0 HG3 GLU A 12 6.751 20.184 -22.147 1.00 32.33 H new ATOM 204 N LYS A 13 5.988 18.783 -17.438 1.00 65.03 N ATOM 205 CA LYS A 13 5.485 19.447 -16.241 1.00 64.25 C ATOM 206 C LYS A 13 5.990 18.752 -14.981 1.00 5.10 C ATOM 207 O LYS A 13 6.254 19.398 -13.968 1.00 14.14 O ATOM 208 CB LYS A 13 3.955 19.465 -16.248 1.00 62.34 C ATOM 209 CG LYS A 13 3.362 20.345 -17.335 1.00 61.52 C ATOM 210 CD LYS A 13 2.781 21.626 -16.760 1.00 64.35 C ATOM 211 CE LYS A 13 2.616 22.692 -17.832 1.00 1.50 C ATOM 212 NZ LYS A 13 1.897 23.890 -17.316 1.00 72.01 N ATOM 0 H LYS A 13 5.415 18.002 -17.759 1.00 65.03 H new ATOM 0 HA LYS A 13 5.854 20.473 -16.242 1.00 64.25 H new ATOM 0 HB2 LYS A 13 3.589 18.447 -16.377 1.00 62.34 H new ATOM 0 HB3 LYS A 13 3.600 19.811 -15.278 1.00 62.34 H new ATOM 0 HG2 LYS A 13 4.132 20.590 -18.067 1.00 61.52 H new ATOM 0 HG3 LYS A 13 2.583 19.796 -17.864 1.00 61.52 H new ATOM 0 HD2 LYS A 13 1.814 21.415 -16.303 1.00 64.35 H new ATOM 0 HD3 LYS A 13 3.432 22.000 -15.970 1.00 64.35 H new ATOM 0 HE2 LYS A 13 3.597 22.989 -18.203 1.00 1.50 H new ATOM 0 HE3 LYS A 13 2.068 22.276 -18.677 1.00 1.50 H new ATOM 0 HZ1 LYS A 13 1.804 24.594 -18.076 1.00 72.01 H new ATOM 0 HZ2 LYS A 13 0.951 23.611 -16.985 1.00 72.01 H new ATOM 0 HZ3 LYS A 13 2.433 24.303 -16.526 1.00 72.01 H new ATOM 226 N GLY A 14 6.125 17.431 -15.052 1.00 0.11 N ATOM 227 CA GLY A 14 6.600 16.671 -13.910 1.00 54.42 C ATOM 228 C GLY A 14 5.467 16.064 -13.106 1.00 50.24 C ATOM 229 O GLY A 14 5.457 16.142 -11.878 1.00 11.33 O ATOM 0 H GLY A 14 5.914 16.874 -15.880 1.00 0.11 H new ATOM 0 HA2 GLY A 14 7.262 15.877 -14.256 1.00 54.42 H new ATOM 0 HA3 GLY A 14 7.191 17.321 -13.265 1.00 54.42 H new ATOM 233 N TYR A 15 4.510 15.459 -13.800 1.00 74.04 N ATOM 234 CA TYR A 15 3.365 14.840 -13.144 1.00 34.43 C ATOM 235 C TYR A 15 2.730 13.780 -14.039 1.00 64.23 C ATOM 236 O TYR A 15 2.664 13.939 -15.257 1.00 71.14 O ATOM 237 CB TYR A 15 2.326 15.900 -12.776 1.00 12.44 C ATOM 238 CG TYR A 15 1.499 16.372 -13.951 1.00 22.33 C ATOM 239 CD1 TYR A 15 0.329 15.715 -14.310 1.00 51.02 C ATOM 240 CD2 TYR A 15 1.888 17.475 -14.701 1.00 24.31 C ATOM 241 CE1 TYR A 15 -0.429 16.142 -15.383 1.00 62.25 C ATOM 242 CE2 TYR A 15 1.136 17.910 -15.775 1.00 21.51 C ATOM 243 CZ TYR A 15 -0.021 17.240 -16.113 1.00 33.55 C ATOM 244 OH TYR A 15 -0.774 17.669 -17.181 1.00 71.35 O ATOM 0 H TYR A 15 4.504 15.384 -14.817 1.00 74.04 H new ATOM 0 HA TYR A 15 3.720 14.356 -12.234 1.00 34.43 H new ATOM 0 HB2 TYR A 15 1.661 15.495 -12.014 1.00 12.44 H new ATOM 0 HB3 TYR A 15 2.834 16.756 -12.333 1.00 12.44 H new ATOM 0 HD1 TYR A 15 0.006 14.856 -13.741 1.00 51.02 H new ATOM 0 HD2 TYR A 15 2.794 18.001 -14.440 1.00 24.31 H new ATOM 0 HE1 TYR A 15 -1.336 15.620 -15.649 1.00 62.25 H new ATOM 0 HE2 TYR A 15 1.452 18.770 -16.347 1.00 21.51 H new ATOM 0 HH TYR A 15 -0.349 18.453 -17.587 1.00 71.35 H new ATOM 254 N GLY A 16 2.264 12.697 -13.425 1.00 24.42 N ATOM 255 CA GLY A 16 1.641 11.626 -14.180 1.00 72.21 C ATOM 256 C GLY A 16 0.614 10.864 -13.366 1.00 54.12 C ATOM 257 O GLY A 16 0.304 11.240 -12.235 1.00 65.32 O ATOM 0 H GLY A 16 2.307 12.542 -12.418 1.00 24.42 H new ATOM 0 HA2 GLY A 16 1.162 12.042 -15.066 1.00 72.21 H new ATOM 0 HA3 GLY A 16 2.410 10.936 -14.527 1.00 72.21 H new ATOM 261 N PHE A 17 0.081 9.791 -13.943 1.00 5.45 N ATOM 262 CA PHE A 17 -0.919 8.976 -13.264 1.00 54.31 C ATOM 263 C PHE A 17 -0.717 7.496 -13.575 1.00 54.24 C ATOM 264 O PHE A 17 -0.635 7.102 -14.739 1.00 31.41 O ATOM 265 CB PHE A 17 -2.327 9.409 -13.679 1.00 71.13 C ATOM 266 CG PHE A 17 -2.717 10.762 -13.157 1.00 44.33 C ATOM 267 CD1 PHE A 17 -2.302 11.915 -13.805 1.00 72.10 C ATOM 268 CD2 PHE A 17 -3.497 10.882 -12.019 1.00 21.05 C ATOM 269 CE1 PHE A 17 -2.659 13.162 -13.328 1.00 32.04 C ATOM 270 CE2 PHE A 17 -3.857 12.126 -11.537 1.00 13.23 C ATOM 271 CZ PHE A 17 -3.437 13.268 -12.191 1.00 70.53 C ATOM 0 H PHE A 17 0.325 9.466 -14.879 1.00 5.45 H new ATOM 0 HA PHE A 17 -0.803 9.122 -12.190 1.00 54.31 H new ATOM 0 HB2 PHE A 17 -2.390 9.416 -14.767 1.00 71.13 H new ATOM 0 HB3 PHE A 17 -3.045 8.670 -13.323 1.00 71.13 H new ATOM 0 HD1 PHE A 17 -1.692 11.838 -14.693 1.00 72.10 H new ATOM 0 HD2 PHE A 17 -3.828 9.993 -11.502 1.00 21.05 H new ATOM 0 HE1 PHE A 17 -2.330 14.052 -13.843 1.00 32.04 H new ATOM 0 HE2 PHE A 17 -4.467 12.205 -10.649 1.00 13.23 H new ATOM 0 HZ PHE A 17 -3.716 14.241 -11.815 1.00 70.53 H new ATOM 281 N ILE A 18 -0.638 6.683 -12.528 1.00 21.03 N ATOM 282 CA ILE A 18 -0.446 5.247 -12.689 1.00 11.03 C ATOM 283 C ILE A 18 -1.771 4.500 -12.577 1.00 64.41 C ATOM 284 O ILE A 18 -2.689 4.945 -11.891 1.00 14.44 O ATOM 285 CB ILE A 18 0.535 4.689 -11.641 1.00 1.11 C ATOM 286 CG1 ILE A 18 1.868 5.438 -11.708 1.00 54.23 C ATOM 287 CG2 ILE A 18 0.748 3.198 -11.856 1.00 0.14 C ATOM 288 CD1 ILE A 18 2.631 5.432 -10.402 1.00 52.33 C ATOM 0 H ILE A 18 -0.704 6.994 -11.559 1.00 21.03 H new ATOM 0 HA ILE A 18 -0.028 5.094 -13.684 1.00 11.03 H new ATOM 0 HB ILE A 18 0.107 4.836 -10.650 1.00 1.11 H new ATOM 0 HG12 ILE A 18 2.489 4.990 -12.484 1.00 54.23 H new ATOM 0 HG13 ILE A 18 1.681 6.470 -12.005 1.00 54.23 H new ATOM 0 HG21 ILE A 18 1.444 2.818 -11.108 1.00 0.14 H new ATOM 0 HG22 ILE A 18 -0.205 2.677 -11.763 1.00 0.14 H new ATOM 0 HG23 ILE A 18 1.158 3.029 -12.852 1.00 0.14 H new ATOM 0 HD11 ILE A 18 3.565 5.981 -10.524 1.00 52.33 H new ATOM 0 HD12 ILE A 18 2.029 5.907 -9.627 1.00 52.33 H new ATOM 0 HD13 ILE A 18 2.849 4.404 -10.113 1.00 52.33 H new ATOM 300 N GLN A 19 -1.860 3.360 -13.255 1.00 44.14 N ATOM 301 CA GLN A 19 -3.072 2.550 -13.231 1.00 42.02 C ATOM 302 C GLN A 19 -2.754 1.106 -12.857 1.00 71.04 C ATOM 303 O GLN A 19 -1.840 0.499 -13.413 1.00 65.43 O ATOM 304 CB GLN A 19 -3.768 2.595 -14.592 1.00 51.54 C ATOM 305 CG GLN A 19 -3.664 3.945 -15.284 1.00 54.21 C ATOM 306 CD GLN A 19 -4.073 5.095 -14.384 1.00 61.14 C ATOM 307 OE1 GLN A 19 -3.308 6.180 -14.426 1.00 1.31 O flip ATOM 308 NE2 GLN A 19 -5.065 5.009 -13.660 1.00 32.25 N flip ATOM 0 H GLN A 19 -1.108 2.977 -13.827 1.00 44.14 H new ATOM 0 HA GLN A 19 -3.740 2.963 -12.475 1.00 42.02 H new ATOM 0 HB2 GLN A 19 -3.335 1.831 -15.238 1.00 51.54 H new ATOM 0 HB3 GLN A 19 -4.820 2.343 -14.461 1.00 51.54 H new ATOM 0 HG2 GLN A 19 -2.639 4.099 -15.620 1.00 54.21 H new ATOM 0 HG3 GLN A 19 -4.294 3.943 -16.173 1.00 54.21 H new ATOM 0 HE21 GLN A 19 -5.624 4.156 -13.660 1.00 32.25 H new ATOM 0 HE22 GLN A 19 -5.328 5.791 -13.060 1.00 32.25 H new ATOM 317 N GLN A 20 -3.515 0.563 -11.912 1.00 50.43 N ATOM 318 CA GLN A 20 -3.313 -0.809 -11.464 1.00 21.20 C ATOM 319 C GLN A 20 -4.253 -1.764 -12.192 1.00 54.22 C ATOM 320 O GLN A 20 -4.848 -1.408 -13.209 1.00 12.11 O ATOM 321 CB GLN A 20 -3.532 -0.912 -9.954 1.00 22.25 C ATOM 322 CG GLN A 20 -2.898 0.224 -9.168 1.00 42.40 C ATOM 323 CD GLN A 20 -3.231 0.170 -7.690 1.00 75.22 C ATOM 324 OE1 GLN A 20 -3.089 -0.871 -7.048 1.00 74.20 O ATOM 325 NE2 GLN A 20 -3.678 1.294 -7.142 1.00 30.31 N ATOM 0 H GLN A 20 -4.277 1.052 -11.442 1.00 50.43 H new ATOM 0 HA GLN A 20 -2.286 -1.092 -11.696 1.00 21.20 H new ATOM 0 HB2 GLN A 20 -4.603 -0.930 -9.751 1.00 22.25 H new ATOM 0 HB3 GLN A 20 -3.125 -1.859 -9.600 1.00 22.25 H new ATOM 0 HG2 GLN A 20 -1.816 0.188 -9.294 1.00 42.40 H new ATOM 0 HG3 GLN A 20 -3.235 1.176 -9.578 1.00 42.40 H new ATOM 0 HE21 GLN A 20 -3.780 2.134 -7.712 1.00 30.31 H new ATOM 0 HE22 GLN A 20 -3.919 1.318 -6.151 1.00 30.31 H new ATOM 334 N GLU A 21 -4.382 -2.977 -11.665 1.00 22.41 N ATOM 335 CA GLU A 21 -5.249 -3.983 -12.267 1.00 34.03 C ATOM 336 C GLU A 21 -6.629 -3.403 -12.565 1.00 32.22 C ATOM 337 O GLU A 21 -7.290 -3.807 -13.521 1.00 64.51 O ATOM 338 CB GLU A 21 -5.382 -5.194 -11.341 1.00 32.02 C ATOM 339 CG GLU A 21 -4.052 -5.837 -10.985 1.00 12.33 C ATOM 340 CD GLU A 21 -4.218 -7.179 -10.299 1.00 61.12 C ATOM 341 OE1 GLU A 21 -4.797 -7.214 -9.193 1.00 41.25 O ATOM 342 OE2 GLU A 21 -3.768 -8.195 -10.870 1.00 34.24 O ATOM 0 H GLU A 21 -3.897 -3.287 -10.823 1.00 22.41 H new ATOM 0 HA GLU A 21 -4.796 -4.301 -13.206 1.00 34.03 H new ATOM 0 HB2 GLU A 21 -5.884 -4.886 -10.424 1.00 32.02 H new ATOM 0 HB3 GLU A 21 -6.019 -5.938 -11.819 1.00 32.02 H new ATOM 0 HG2 GLU A 21 -3.461 -5.967 -11.892 1.00 12.33 H new ATOM 0 HG3 GLU A 21 -3.492 -5.167 -10.333 1.00 12.33 H new ATOM 349 N GLU A 22 -7.057 -2.454 -11.738 1.00 70.11 N ATOM 350 CA GLU A 22 -8.358 -1.820 -11.913 1.00 15.15 C ATOM 351 C GLU A 22 -8.204 -0.398 -12.443 1.00 42.51 C ATOM 352 O GLU A 22 -9.090 0.124 -13.118 1.00 42.55 O ATOM 353 CB GLU A 22 -9.123 -1.801 -10.587 1.00 72.33 C ATOM 354 CG GLU A 22 -9.130 -3.141 -9.870 1.00 12.32 C ATOM 355 CD GLU A 22 -10.176 -3.210 -8.774 1.00 73.13 C ATOM 356 OE1 GLU A 22 -10.709 -2.147 -8.393 1.00 44.11 O ATOM 357 OE2 GLU A 22 -10.463 -4.329 -8.298 1.00 44.24 O ATOM 0 H GLU A 22 -6.522 -2.108 -10.941 1.00 70.11 H new ATOM 0 HA GLU A 22 -8.922 -2.402 -12.642 1.00 15.15 H new ATOM 0 HB2 GLU A 22 -8.680 -1.050 -9.932 1.00 72.33 H new ATOM 0 HB3 GLU A 22 -10.152 -1.493 -10.775 1.00 72.33 H new ATOM 0 HG2 GLU A 22 -9.314 -3.935 -10.594 1.00 12.32 H new ATOM 0 HG3 GLU A 22 -8.145 -3.324 -9.440 1.00 12.32 H new ATOM 364 N GLY A 23 -7.071 0.224 -12.131 1.00 42.51 N ATOM 365 CA GLY A 23 -6.820 1.580 -12.583 1.00 51.53 C ATOM 366 C GLY A 23 -7.659 2.603 -11.843 1.00 21.03 C ATOM 367 O GLY A 23 -8.564 3.220 -12.405 1.00 72.50 O ATOM 0 H GLY A 23 -6.322 -0.187 -11.573 1.00 42.51 H new ATOM 0 HA2 GLY A 23 -5.764 1.815 -12.448 1.00 51.53 H new ATOM 0 HA3 GLY A 23 -7.028 1.648 -13.651 1.00 51.53 H new ATOM 371 N PRO A 24 -7.361 2.794 -10.549 1.00 24.30 N ATOM 372 CA PRO A 24 -8.083 3.747 -9.702 1.00 53.31 C ATOM 373 C PRO A 24 -7.795 5.195 -10.083 1.00 40.43 C ATOM 374 O PRO A 24 -8.485 5.776 -10.921 1.00 72.23 O ATOM 375 CB PRO A 24 -7.552 3.448 -8.298 1.00 13.10 C ATOM 376 CG PRO A 24 -6.203 2.857 -8.521 1.00 72.12 C ATOM 377 CD PRO A 24 -6.294 2.093 -9.813 1.00 53.44 C ATOM 0 HA PRO A 24 -9.163 3.638 -9.796 1.00 53.31 H new ATOM 0 HB2 PRO A 24 -7.492 4.355 -7.696 1.00 13.10 H new ATOM 0 HB3 PRO A 24 -8.205 2.755 -7.767 1.00 13.10 H new ATOM 0 HG2 PRO A 24 -5.441 3.634 -8.580 1.00 72.12 H new ATOM 0 HG3 PRO A 24 -5.924 2.199 -7.698 1.00 72.12 H new ATOM 0 HD2 PRO A 24 -5.350 2.112 -10.358 1.00 53.44 H new ATOM 0 HD3 PRO A 24 -6.544 1.046 -9.644 1.00 53.44 H new ATOM 385 N ASP A 25 -6.772 5.773 -9.463 1.00 62.24 N ATOM 386 CA ASP A 25 -6.391 7.153 -9.739 1.00 52.32 C ATOM 387 C ASP A 25 -5.382 7.654 -8.711 1.00 1.51 C ATOM 388 O ASP A 25 -5.755 8.096 -7.624 1.00 24.02 O ATOM 389 CB ASP A 25 -7.627 8.055 -9.741 1.00 23.22 C ATOM 390 CG ASP A 25 -7.284 9.507 -9.471 1.00 73.22 C ATOM 391 OD1 ASP A 25 -6.507 10.089 -10.257 1.00 10.34 O ATOM 392 OD2 ASP A 25 -7.794 10.061 -8.475 1.00 52.13 O ATOM 0 H ASP A 25 -6.192 5.307 -8.766 1.00 62.24 H new ATOM 0 HA ASP A 25 -5.925 7.186 -10.724 1.00 52.32 H new ATOM 0 HB2 ASP A 25 -8.129 7.976 -10.705 1.00 23.22 H new ATOM 0 HB3 ASP A 25 -8.330 7.704 -8.986 1.00 23.22 H new ATOM 397 N VAL A 26 -4.102 7.582 -9.061 1.00 43.05 N ATOM 398 CA VAL A 26 -3.038 8.028 -8.169 1.00 53.24 C ATOM 399 C VAL A 26 -2.290 9.219 -8.758 1.00 72.25 C ATOM 400 O VAL A 26 -2.071 9.292 -9.968 1.00 32.51 O ATOM 401 CB VAL A 26 -2.034 6.896 -7.883 1.00 33.14 C ATOM 402 CG1 VAL A 26 -0.815 7.022 -8.784 1.00 34.13 C ATOM 403 CG2 VAL A 26 -1.627 6.904 -6.417 1.00 32.01 C ATOM 0 H VAL A 26 -3.776 7.219 -9.957 1.00 43.05 H new ATOM 0 HA VAL A 26 -3.513 8.327 -7.235 1.00 53.24 H new ATOM 0 HB VAL A 26 -2.517 5.943 -8.098 1.00 33.14 H new ATOM 0 HG11 VAL A 26 -0.117 6.213 -8.567 1.00 34.13 H new ATOM 0 HG12 VAL A 26 -1.126 6.963 -9.827 1.00 34.13 H new ATOM 0 HG13 VAL A 26 -0.327 7.980 -8.604 1.00 34.13 H new ATOM 0 HG21 VAL A 26 -0.917 6.098 -6.232 1.00 32.01 H new ATOM 0 HG22 VAL A 26 -1.162 7.859 -6.174 1.00 32.01 H new ATOM 0 HG23 VAL A 26 -2.510 6.761 -5.794 1.00 32.01 H new ATOM 413 N PHE A 27 -1.900 10.151 -7.896 1.00 24.14 N ATOM 414 CA PHE A 27 -1.176 11.340 -8.330 1.00 63.22 C ATOM 415 C PHE A 27 0.323 11.181 -8.093 1.00 63.35 C ATOM 416 O PHE A 27 0.775 11.071 -6.954 1.00 2.14 O ATOM 417 CB PHE A 27 -1.692 12.576 -7.591 1.00 22.13 C ATOM 418 CG PHE A 27 -1.637 13.832 -8.412 1.00 40.21 C ATOM 419 CD1 PHE A 27 -0.478 14.187 -9.083 1.00 5.25 C ATOM 420 CD2 PHE A 27 -2.745 14.658 -8.514 1.00 61.12 C ATOM 421 CE1 PHE A 27 -0.424 15.343 -9.838 1.00 53.12 C ATOM 422 CE2 PHE A 27 -2.698 15.815 -9.269 1.00 23.11 C ATOM 423 CZ PHE A 27 -1.536 16.157 -9.933 1.00 10.34 C ATOM 0 H PHE A 27 -2.073 10.106 -6.892 1.00 24.14 H new ATOM 0 HA PHE A 27 -1.346 11.467 -9.399 1.00 63.22 H new ATOM 0 HB2 PHE A 27 -2.722 12.400 -7.280 1.00 22.13 H new ATOM 0 HB3 PHE A 27 -1.105 12.719 -6.684 1.00 22.13 H new ATOM 0 HD1 PHE A 27 0.393 13.553 -9.015 1.00 5.25 H new ATOM 0 HD2 PHE A 27 -3.656 14.395 -7.997 1.00 61.12 H new ATOM 0 HE1 PHE A 27 0.487 15.610 -10.353 1.00 53.12 H new ATOM 0 HE2 PHE A 27 -3.568 16.451 -9.340 1.00 23.11 H new ATOM 0 HZ PHE A 27 -1.497 17.059 -10.525 1.00 10.34 H new ATOM 433 N VAL A 28 1.090 11.168 -9.179 1.00 51.44 N ATOM 434 CA VAL A 28 2.538 11.023 -9.091 1.00 50.34 C ATOM 435 C VAL A 28 3.249 12.210 -9.731 1.00 41.33 C ATOM 436 O VAL A 28 2.787 12.759 -10.733 1.00 22.44 O ATOM 437 CB VAL A 28 3.014 9.726 -9.771 1.00 64.05 C ATOM 438 CG1 VAL A 28 2.036 8.592 -9.503 1.00 44.24 C ATOM 439 CG2 VAL A 28 3.194 9.944 -11.266 1.00 65.42 C ATOM 0 H VAL A 28 0.732 11.256 -10.130 1.00 51.44 H new ATOM 0 HA VAL A 28 2.788 10.982 -8.031 1.00 50.34 H new ATOM 0 HB VAL A 28 3.980 9.448 -9.348 1.00 64.05 H new ATOM 0 HG11 VAL A 28 2.389 7.684 -9.991 1.00 44.24 H new ATOM 0 HG12 VAL A 28 1.962 8.421 -8.429 1.00 44.24 H new ATOM 0 HG13 VAL A 28 1.055 8.857 -9.896 1.00 44.24 H new ATOM 0 HG21 VAL A 28 3.531 9.017 -11.731 1.00 65.42 H new ATOM 0 HG22 VAL A 28 2.244 10.247 -11.707 1.00 65.42 H new ATOM 0 HG23 VAL A 28 3.936 10.724 -11.433 1.00 65.42 H new ATOM 449 N HIS A 29 4.377 12.603 -9.147 1.00 33.21 N ATOM 450 CA HIS A 29 5.154 13.725 -9.661 1.00 14.21 C ATOM 451 C HIS A 29 6.587 13.300 -9.965 1.00 71.12 C ATOM 452 O HIS A 29 7.072 12.297 -9.442 1.00 31.43 O ATOM 453 CB HIS A 29 5.154 14.876 -8.654 1.00 54.24 C ATOM 454 CG HIS A 29 4.091 15.899 -8.914 1.00 72.01 C ATOM 455 ND1 HIS A 29 4.363 17.239 -9.094 1.00 64.30 N ATOM 456 CD2 HIS A 29 2.748 15.772 -9.026 1.00 32.44 C ATOM 457 CE1 HIS A 29 3.234 17.891 -9.303 1.00 40.32 C ATOM 458 NE2 HIS A 29 2.239 17.024 -9.267 1.00 74.21 N ATOM 0 H HIS A 29 4.773 12.161 -8.318 1.00 33.21 H new ATOM 0 HA HIS A 29 4.690 14.062 -10.588 1.00 14.21 H new ATOM 0 HB2 HIS A 29 5.019 14.471 -7.651 1.00 54.24 H new ATOM 0 HB3 HIS A 29 6.129 15.364 -8.672 1.00 54.24 H new ATOM 0 HD2 HIS A 29 2.182 14.856 -8.941 1.00 32.44 H new ATOM 0 HE1 HIS A 29 3.140 18.953 -9.474 1.00 40.32 H new ATOM 0 HE2 HIS A 29 1.252 17.248 -9.397 1.00 74.21 H new ATOM 466 N PHE A 30 7.259 14.069 -10.815 1.00 64.11 N ATOM 467 CA PHE A 30 8.637 13.771 -11.190 1.00 74.35 C ATOM 468 C PHE A 30 9.529 13.680 -9.956 1.00 62.32 C ATOM 469 O PHE A 30 10.597 13.067 -9.991 1.00 71.10 O ATOM 470 CB PHE A 30 9.171 14.842 -12.143 1.00 5.33 C ATOM 471 CG PHE A 30 9.541 16.125 -11.455 1.00 14.44 C ATOM 472 CD1 PHE A 30 8.560 16.954 -10.932 1.00 63.34 C ATOM 473 CD2 PHE A 30 10.868 16.503 -11.330 1.00 31.15 C ATOM 474 CE1 PHE A 30 8.897 18.135 -10.300 1.00 4.25 C ATOM 475 CE2 PHE A 30 11.211 17.683 -10.697 1.00 40.12 C ATOM 476 CZ PHE A 30 10.224 18.500 -10.181 1.00 24.23 C ATOM 0 H PHE A 30 6.872 14.903 -11.257 1.00 64.11 H new ATOM 0 HA PHE A 30 8.649 12.806 -11.696 1.00 74.35 H new ATOM 0 HB2 PHE A 30 10.046 14.452 -12.662 1.00 5.33 H new ATOM 0 HB3 PHE A 30 8.417 15.050 -12.902 1.00 5.33 H new ATOM 0 HD1 PHE A 30 7.521 16.673 -11.020 1.00 63.34 H new ATOM 0 HD2 PHE A 30 11.644 15.868 -11.732 1.00 31.15 H new ATOM 0 HE1 PHE A 30 8.123 18.773 -9.899 1.00 4.25 H new ATOM 0 HE2 PHE A 30 12.249 17.966 -10.606 1.00 40.12 H new ATOM 0 HZ PHE A 30 10.489 19.422 -9.686 1.00 24.23 H new ATOM 486 N THR A 31 9.084 14.295 -8.865 1.00 24.12 N ATOM 487 CA THR A 31 9.842 14.286 -7.620 1.00 21.31 C ATOM 488 C THR A 31 9.341 13.196 -6.679 1.00 62.44 C ATOM 489 O THR A 31 9.539 13.270 -5.467 1.00 71.40 O ATOM 490 CB THR A 31 9.759 15.646 -6.902 1.00 32.35 C ATOM 491 OG1 THR A 31 9.788 16.709 -7.860 1.00 75.24 O ATOM 492 CG2 THR A 31 10.909 15.810 -5.920 1.00 1.53 C ATOM 0 H THR A 31 8.202 14.806 -8.818 1.00 24.12 H new ATOM 0 HA THR A 31 10.880 14.085 -7.884 1.00 21.31 H new ATOM 0 HB THR A 31 8.821 15.683 -6.348 1.00 32.35 H new ATOM 0 HG1 THR A 31 8.960 16.700 -8.383 1.00 75.24 H new ATOM 0 HG21 THR A 31 10.829 16.778 -5.425 1.00 1.53 H new ATOM 0 HG22 THR A 31 10.867 15.016 -5.174 1.00 1.53 H new ATOM 0 HG23 THR A 31 11.856 15.754 -6.456 1.00 1.53 H new ATOM 500 N ALA A 32 8.692 12.184 -7.246 1.00 62.22 N ATOM 501 CA ALA A 32 8.165 11.077 -6.458 1.00 25.41 C ATOM 502 C ALA A 32 8.713 9.742 -6.952 1.00 31.23 C ATOM 503 O ALA A 32 8.476 8.699 -6.341 1.00 52.10 O ATOM 504 CB ALA A 32 6.645 11.074 -6.502 1.00 14.22 C ATOM 0 H ALA A 32 8.519 12.108 -8.248 1.00 62.22 H new ATOM 0 HA ALA A 32 8.487 11.213 -5.426 1.00 25.41 H new ATOM 0 HB1 ALA A 32 6.265 10.242 -5.909 1.00 14.22 H new ATOM 0 HB2 ALA A 32 6.267 12.012 -6.095 1.00 14.22 H new ATOM 0 HB3 ALA A 32 6.311 10.966 -7.534 1.00 14.22 H new ATOM 510 N ILE A 33 9.445 9.781 -8.060 1.00 10.42 N ATOM 511 CA ILE A 33 10.026 8.574 -8.634 1.00 50.45 C ATOM 512 C ILE A 33 11.414 8.307 -8.063 1.00 21.51 C ATOM 513 O ILE A 33 12.252 9.205 -7.996 1.00 11.11 O ATOM 514 CB ILE A 33 10.125 8.672 -10.168 1.00 51.43 C ATOM 515 CG1 ILE A 33 8.729 8.787 -10.785 1.00 2.42 C ATOM 516 CG2 ILE A 33 10.860 7.465 -10.730 1.00 21.41 C ATOM 517 CD1 ILE A 33 8.282 10.216 -11.005 1.00 34.55 C ATOM 0 H ILE A 33 9.650 10.635 -8.578 1.00 10.42 H new ATOM 0 HA ILE A 33 9.363 7.749 -8.372 1.00 50.45 H new ATOM 0 HB ILE A 33 10.690 9.568 -10.424 1.00 51.43 H new ATOM 0 HG12 ILE A 33 8.718 8.260 -11.739 1.00 2.42 H new ATOM 0 HG13 ILE A 33 8.011 8.286 -10.136 1.00 2.42 H new ATOM 0 HG21 ILE A 33 10.922 7.549 -11.815 1.00 21.41 H new ATOM 0 HG22 ILE A 33 11.866 7.424 -10.312 1.00 21.41 H new ATOM 0 HG23 ILE A 33 10.320 6.555 -10.467 1.00 21.41 H new ATOM 0 HD11 ILE A 33 7.285 10.222 -11.445 1.00 34.55 H new ATOM 0 HD12 ILE A 33 8.261 10.742 -10.050 1.00 34.55 H new ATOM 0 HD13 ILE A 33 8.978 10.715 -11.679 1.00 34.55 H new ATOM 529 N GLU A 34 11.650 7.064 -7.654 1.00 30.13 N ATOM 530 CA GLU A 34 12.938 6.678 -7.089 1.00 33.13 C ATOM 531 C GLU A 34 13.626 5.636 -7.966 1.00 22.03 C ATOM 532 O GLU A 34 13.491 4.434 -7.742 1.00 33.51 O ATOM 533 CB GLU A 34 12.754 6.128 -5.673 1.00 21.32 C ATOM 534 CG GLU A 34 11.799 6.947 -4.821 1.00 30.53 C ATOM 535 CD GLU A 34 12.317 7.168 -3.413 1.00 33.23 C ATOM 536 OE1 GLU A 34 13.035 6.284 -2.900 1.00 2.31 O ATOM 537 OE2 GLU A 34 12.003 8.223 -2.824 1.00 5.31 O ATOM 0 H GLU A 34 10.967 6.308 -7.703 1.00 30.13 H new ATOM 0 HA GLU A 34 13.569 7.566 -7.047 1.00 33.13 H new ATOM 0 HB2 GLU A 34 12.385 5.104 -5.735 1.00 21.32 H new ATOM 0 HB3 GLU A 34 13.725 6.088 -5.179 1.00 21.32 H new ATOM 0 HG2 GLU A 34 11.630 7.913 -5.298 1.00 30.53 H new ATOM 0 HG3 GLU A 34 10.835 6.441 -4.774 1.00 30.53 H new ATOM 544 N ALA A 35 14.365 6.107 -8.965 1.00 53.21 N ATOM 545 CA ALA A 35 15.076 5.218 -9.875 1.00 74.30 C ATOM 546 C ALA A 35 16.556 5.576 -9.948 1.00 22.34 C ATOM 547 O ALA A 35 17.010 6.515 -9.295 1.00 1.55 O ATOM 548 CB ALA A 35 14.449 5.270 -11.261 1.00 25.03 C ATOM 0 H ALA A 35 14.487 7.100 -9.165 1.00 53.21 H new ATOM 0 HA ALA A 35 14.994 4.202 -9.489 1.00 74.30 H new ATOM 0 HB1 ALA A 35 14.990 4.601 -11.930 1.00 25.03 H new ATOM 0 HB2 ALA A 35 13.406 4.958 -11.201 1.00 25.03 H new ATOM 0 HB3 ALA A 35 14.501 6.288 -11.646 1.00 25.03 H new ATOM 554 N ASP A 36 17.304 4.821 -10.745 1.00 20.23 N ATOM 555 CA ASP A 36 18.734 5.059 -10.903 1.00 21.12 C ATOM 556 C ASP A 36 18.996 6.082 -12.003 1.00 42.33 C ATOM 557 O ASP A 36 19.367 5.726 -13.121 1.00 21.02 O ATOM 558 CB ASP A 36 19.458 3.750 -11.223 1.00 4.40 C ATOM 559 CG ASP A 36 20.966 3.887 -11.138 1.00 12.22 C ATOM 560 OD1 ASP A 36 21.438 4.876 -10.540 1.00 45.30 O ATOM 561 OD2 ASP A 36 21.673 3.006 -11.670 1.00 30.44 O ATOM 0 H ASP A 36 16.944 4.039 -11.292 1.00 20.23 H new ATOM 0 HA ASP A 36 19.117 5.457 -9.963 1.00 21.12 H new ATOM 0 HB2 ASP A 36 19.127 2.976 -10.530 1.00 4.40 H new ATOM 0 HB3 ASP A 36 19.182 3.421 -12.225 1.00 4.40 H new ATOM 566 N GLY A 37 18.799 7.357 -11.679 1.00 24.34 N ATOM 567 CA GLY A 37 19.018 8.412 -12.651 1.00 21.05 C ATOM 568 C GLY A 37 17.782 9.260 -12.873 1.00 52.41 C ATOM 569 O GLY A 37 17.291 9.910 -11.949 1.00 44.35 O ATOM 0 H GLY A 37 18.492 7.678 -10.761 1.00 24.34 H new ATOM 0 HA2 GLY A 37 19.836 9.049 -12.314 1.00 21.05 H new ATOM 0 HA3 GLY A 37 19.327 7.971 -13.598 1.00 21.05 H new ATOM 573 N PHE A 38 17.277 9.257 -14.102 1.00 71.43 N ATOM 574 CA PHE A 38 16.092 10.034 -14.444 1.00 54.14 C ATOM 575 C PHE A 38 14.871 9.528 -13.682 1.00 14.34 C ATOM 576 O PHE A 38 14.371 8.434 -13.944 1.00 51.20 O ATOM 577 CB PHE A 38 15.829 9.968 -15.950 1.00 44.14 C ATOM 578 CG PHE A 38 16.907 10.612 -16.775 1.00 51.12 C ATOM 579 CD1 PHE A 38 16.901 11.979 -17.001 1.00 42.10 C ATOM 580 CD2 PHE A 38 17.925 9.850 -17.325 1.00 43.21 C ATOM 581 CE1 PHE A 38 17.891 12.575 -17.759 1.00 64.12 C ATOM 582 CE2 PHE A 38 18.918 10.441 -18.084 1.00 23.43 C ATOM 583 CZ PHE A 38 18.901 11.804 -18.302 1.00 52.31 C ATOM 0 H PHE A 38 17.670 8.725 -14.878 1.00 71.43 H new ATOM 0 HA PHE A 38 16.274 11.070 -14.159 1.00 54.14 H new ATOM 0 HB2 PHE A 38 15.729 8.924 -16.248 1.00 44.14 H new ATOM 0 HB3 PHE A 38 14.878 10.454 -16.166 1.00 44.14 H new ATOM 0 HD1 PHE A 38 16.113 12.586 -16.580 1.00 42.10 H new ATOM 0 HD2 PHE A 38 17.943 8.783 -17.159 1.00 43.21 H new ATOM 0 HE1 PHE A 38 17.875 13.642 -17.927 1.00 64.12 H new ATOM 0 HE2 PHE A 38 19.707 9.836 -18.506 1.00 23.43 H new ATOM 0 HZ PHE A 38 19.675 12.267 -18.896 1.00 52.31 H new ATOM 593 N ARG A 39 14.396 10.333 -12.736 1.00 22.41 N ATOM 594 CA ARG A 39 13.235 9.967 -11.933 1.00 64.43 C ATOM 595 C ARG A 39 11.949 10.111 -12.741 1.00 12.12 C ATOM 596 O ARG A 39 11.195 11.068 -12.563 1.00 13.43 O ATOM 597 CB ARG A 39 13.162 10.837 -10.677 1.00 64.23 C ATOM 598 CG ARG A 39 14.496 10.989 -9.963 1.00 74.04 C ATOM 599 CD ARG A 39 14.397 11.965 -8.801 1.00 61.04 C ATOM 600 NE ARG A 39 15.691 12.186 -8.161 1.00 32.21 N ATOM 601 CZ ARG A 39 16.245 11.330 -7.309 1.00 14.32 C ATOM 602 NH1 ARG A 39 15.621 10.203 -6.997 1.00 32.30 N ATOM 603 NH2 ARG A 39 17.425 11.602 -6.767 1.00 60.11 N ATOM 0 H ARG A 39 14.797 11.242 -12.507 1.00 22.41 H new ATOM 0 HA ARG A 39 13.343 8.923 -11.637 1.00 64.43 H new ATOM 0 HB2 ARG A 39 12.791 11.825 -10.951 1.00 64.23 H new ATOM 0 HB3 ARG A 39 12.437 10.404 -9.987 1.00 64.23 H new ATOM 0 HG2 ARG A 39 14.827 10.017 -9.596 1.00 74.04 H new ATOM 0 HG3 ARG A 39 15.250 11.337 -10.669 1.00 74.04 H new ATOM 0 HD2 ARG A 39 14.002 12.916 -9.159 1.00 61.04 H new ATOM 0 HD3 ARG A 39 13.689 11.583 -8.066 1.00 61.04 H new ATOM 0 HE ARG A 39 16.197 13.044 -8.380 1.00 32.21 H new ATOM 0 HH11 ARG A 39 14.713 9.991 -7.411 1.00 32.30 H new ATOM 0 HH12 ARG A 39 16.049 9.548 -6.343 1.00 32.30 H new ATOM 0 HH21 ARG A 39 17.908 12.469 -7.004 1.00 60.11 H new ATOM 0 HH22 ARG A 39 17.850 10.944 -6.113 1.00 60.11 H new ATOM 617 N THR A 40 11.704 9.154 -13.630 1.00 74.04 N ATOM 618 CA THR A 40 10.510 9.175 -14.466 1.00 40.14 C ATOM 619 C THR A 40 10.053 7.761 -14.808 1.00 0.50 C ATOM 620 O THR A 40 10.762 6.789 -14.547 1.00 30.41 O ATOM 621 CB THR A 40 10.753 9.954 -15.773 1.00 61.41 C ATOM 622 OG1 THR A 40 11.711 9.264 -16.583 1.00 45.12 O ATOM 623 CG2 THR A 40 11.249 11.362 -15.480 1.00 33.42 C ATOM 0 H THR A 40 12.317 8.354 -13.790 1.00 74.04 H new ATOM 0 HA THR A 40 9.731 9.677 -13.892 1.00 40.14 H new ATOM 0 HB THR A 40 9.807 10.024 -16.310 1.00 61.41 H new ATOM 0 HG1 THR A 40 11.859 9.764 -17.413 1.00 45.12 H new ATOM 0 HG21 THR A 40 11.413 11.892 -16.418 1.00 33.42 H new ATOM 0 HG22 THR A 40 10.504 11.894 -14.888 1.00 33.42 H new ATOM 0 HG23 THR A 40 12.185 11.310 -14.924 1.00 33.42 H new ATOM 631 N LEU A 41 8.865 7.654 -15.394 1.00 5.15 N ATOM 632 CA LEU A 41 8.314 6.358 -15.772 1.00 74.12 C ATOM 633 C LEU A 41 8.188 6.241 -17.288 1.00 14.42 C ATOM 634 O LEU A 41 8.490 7.183 -18.020 1.00 15.04 O ATOM 635 CB LEU A 41 6.946 6.153 -15.118 1.00 40.01 C ATOM 636 CG LEU A 41 6.841 6.547 -13.644 1.00 41.14 C ATOM 637 CD1 LEU A 41 5.404 6.426 -13.160 1.00 65.34 C ATOM 638 CD2 LEU A 41 7.766 5.688 -12.795 1.00 62.43 C ATOM 0 H LEU A 41 8.266 8.449 -15.617 1.00 5.15 H new ATOM 0 HA LEU A 41 8.997 5.584 -15.422 1.00 74.12 H new ATOM 0 HB2 LEU A 41 6.208 6.725 -15.680 1.00 40.01 H new ATOM 0 HB3 LEU A 41 6.674 5.102 -15.213 1.00 40.01 H new ATOM 0 HG LEU A 41 7.150 7.587 -13.543 1.00 41.14 H new ATOM 0 HD11 LEU A 41 5.349 6.710 -12.109 1.00 65.34 H new ATOM 0 HD12 LEU A 41 4.765 7.085 -13.748 1.00 65.34 H new ATOM 0 HD13 LEU A 41 5.067 5.396 -13.275 1.00 65.34 H new ATOM 0 HD21 LEU A 41 7.678 5.982 -11.749 1.00 62.43 H new ATOM 0 HD22 LEU A 41 7.488 4.639 -12.901 1.00 62.43 H new ATOM 0 HD23 LEU A 41 8.796 5.826 -13.125 1.00 62.43 H new ATOM 650 N ASN A 42 7.738 5.080 -17.752 1.00 34.04 N ATOM 651 CA ASN A 42 7.570 4.841 -19.180 1.00 72.14 C ATOM 652 C ASN A 42 6.141 4.408 -19.495 1.00 63.54 C ATOM 653 O ASN A 42 5.619 3.471 -18.891 1.00 43.41 O ATOM 654 CB ASN A 42 8.556 3.773 -19.659 1.00 52.53 C ATOM 655 CG ASN A 42 9.998 4.230 -19.554 1.00 62.11 C ATOM 656 OD1 ASN A 42 10.576 4.726 -20.522 1.00 22.55 O ATOM 657 ND2 ASN A 42 10.587 4.064 -18.375 1.00 74.13 N ATOM 0 H ASN A 42 7.483 4.290 -17.159 1.00 34.04 H new ATOM 0 HA ASN A 42 7.772 5.774 -19.705 1.00 72.14 H new ATOM 0 HB2 ASN A 42 8.421 2.867 -19.069 1.00 52.53 H new ATOM 0 HB3 ASN A 42 8.334 3.515 -20.694 1.00 52.53 H new ATOM 0 HD21 ASN A 42 11.557 4.352 -18.244 1.00 74.13 H new ATOM 0 HD22 ASN A 42 10.070 3.649 -17.600 1.00 74.13 H new ATOM 664 N GLU A 43 5.516 5.095 -20.446 1.00 11.32 N ATOM 665 CA GLU A 43 4.148 4.781 -20.840 1.00 52.04 C ATOM 666 C GLU A 43 4.036 3.333 -21.310 1.00 11.40 C ATOM 667 O GLU A 43 4.682 2.931 -22.276 1.00 41.04 O ATOM 668 CB GLU A 43 3.684 5.726 -21.951 1.00 12.13 C ATOM 669 CG GLU A 43 2.297 5.407 -22.482 1.00 35.42 C ATOM 670 CD GLU A 43 1.961 6.182 -23.741 1.00 0.00 C ATOM 671 OE1 GLU A 43 2.765 7.053 -24.134 1.00 13.11 O ATOM 672 OE2 GLU A 43 0.894 5.917 -24.334 1.00 20.14 O ATOM 0 H GLU A 43 5.935 5.872 -20.957 1.00 11.32 H new ATOM 0 HA GLU A 43 3.507 4.913 -19.969 1.00 52.04 H new ATOM 0 HB2 GLU A 43 3.693 6.749 -21.574 1.00 12.13 H new ATOM 0 HB3 GLU A 43 4.397 5.684 -22.774 1.00 12.13 H new ATOM 0 HG2 GLU A 43 2.228 4.339 -22.688 1.00 35.42 H new ATOM 0 HG3 GLU A 43 1.557 5.632 -21.713 1.00 35.42 H new ATOM 679 N GLY A 44 3.210 2.555 -20.617 1.00 63.41 N ATOM 680 CA GLY A 44 3.029 1.160 -20.977 1.00 13.52 C ATOM 681 C GLY A 44 3.948 0.237 -20.202 1.00 11.32 C ATOM 682 O GLY A 44 4.001 -0.963 -20.469 1.00 42.41 O ATOM 0 H GLY A 44 2.663 2.865 -19.814 1.00 63.41 H new ATOM 0 HA2 GLY A 44 1.993 0.873 -20.796 1.00 13.52 H new ATOM 0 HA3 GLY A 44 3.212 1.037 -22.045 1.00 13.52 H new ATOM 686 N GLU A 45 4.674 0.798 -19.240 1.00 43.42 N ATOM 687 CA GLU A 45 5.598 0.017 -18.426 1.00 74.53 C ATOM 688 C GLU A 45 5.048 -0.180 -17.016 1.00 51.34 C ATOM 689 O GLU A 45 4.172 0.562 -16.571 1.00 1.45 O ATOM 690 CB GLU A 45 6.963 0.704 -18.362 1.00 62.20 C ATOM 691 CG GLU A 45 8.020 -0.110 -17.635 1.00 25.01 C ATOM 692 CD GLU A 45 9.425 0.195 -18.118 1.00 23.44 C ATOM 693 OE1 GLU A 45 9.825 -0.357 -19.165 1.00 11.14 O ATOM 694 OE2 GLU A 45 10.125 0.984 -17.449 1.00 70.40 O ATOM 0 H GLU A 45 4.640 1.790 -19.005 1.00 43.42 H new ATOM 0 HA GLU A 45 5.714 -0.962 -18.892 1.00 74.53 H new ATOM 0 HB2 GLU A 45 7.306 0.907 -19.376 1.00 62.20 H new ATOM 0 HB3 GLU A 45 6.853 1.668 -17.865 1.00 62.20 H new ATOM 0 HG2 GLU A 45 7.956 0.091 -16.566 1.00 25.01 H new ATOM 0 HG3 GLU A 45 7.815 -1.172 -17.773 1.00 25.01 H new ATOM 701 N HIS A 46 5.568 -1.185 -16.319 1.00 40.04 N ATOM 702 CA HIS A 46 5.130 -1.480 -14.960 1.00 11.23 C ATOM 703 C HIS A 46 5.948 -0.691 -13.942 1.00 43.11 C ATOM 704 O HIS A 46 7.155 -0.510 -14.106 1.00 60.43 O ATOM 705 CB HIS A 46 5.249 -2.978 -14.676 1.00 41.44 C ATOM 706 CG HIS A 46 4.810 -3.840 -15.819 1.00 73.12 C ATOM 707 ND1 HIS A 46 3.584 -4.471 -15.858 1.00 62.02 N ATOM 708 CD2 HIS A 46 5.440 -4.174 -16.970 1.00 14.31 C ATOM 709 CE1 HIS A 46 3.480 -5.157 -16.983 1.00 10.35 C ATOM 710 NE2 HIS A 46 4.592 -4.993 -17.675 1.00 45.53 N ATOM 0 H HIS A 46 6.293 -1.809 -16.673 1.00 40.04 H new ATOM 0 HA HIS A 46 4.085 -1.183 -14.870 1.00 11.23 H new ATOM 0 HB2 HIS A 46 6.285 -3.212 -14.432 1.00 41.44 H new ATOM 0 HB3 HIS A 46 4.652 -3.222 -13.797 1.00 41.44 H new ATOM 0 HD2 HIS A 46 6.425 -3.856 -17.277 1.00 14.31 H new ATOM 0 HE1 HIS A 46 2.630 -5.751 -17.285 1.00 10.35 H new ATOM 0 HE2 HIS A 46 4.790 -5.407 -18.586 1.00 45.53 H new ATOM 718 N VAL A 47 5.284 -0.222 -12.891 1.00 34.03 N ATOM 719 CA VAL A 47 5.949 0.547 -11.846 1.00 42.33 C ATOM 720 C VAL A 47 5.152 0.515 -10.547 1.00 51.23 C ATOM 721 O VAL A 47 3.924 0.586 -10.560 1.00 54.21 O ATOM 722 CB VAL A 47 6.155 2.013 -12.273 1.00 71.25 C ATOM 723 CG1 VAL A 47 7.355 2.136 -13.199 1.00 65.13 C ATOM 724 CG2 VAL A 47 4.899 2.554 -12.940 1.00 43.22 C ATOM 0 H VAL A 47 4.285 -0.361 -12.740 1.00 34.03 H new ATOM 0 HA VAL A 47 6.922 0.083 -11.683 1.00 42.33 H new ATOM 0 HB VAL A 47 6.352 2.609 -11.382 1.00 71.25 H new ATOM 0 HG11 VAL A 47 7.485 3.178 -13.490 1.00 65.13 H new ATOM 0 HG12 VAL A 47 8.250 1.789 -12.683 1.00 65.13 H new ATOM 0 HG13 VAL A 47 7.191 1.528 -14.089 1.00 65.13 H new ATOM 0 HG21 VAL A 47 5.062 3.591 -13.235 1.00 43.22 H new ATOM 0 HG22 VAL A 47 4.670 1.957 -13.823 1.00 43.22 H new ATOM 0 HG23 VAL A 47 4.065 2.503 -12.240 1.00 43.22 H new ATOM 734 N GLU A 48 5.860 0.408 -9.427 1.00 51.12 N ATOM 735 CA GLU A 48 5.217 0.366 -8.119 1.00 41.31 C ATOM 736 C GLU A 48 5.257 1.737 -7.449 1.00 71.22 C ATOM 737 O GLU A 48 6.319 2.346 -7.320 1.00 12.24 O ATOM 738 CB GLU A 48 5.899 -0.671 -7.224 1.00 54.01 C ATOM 739 CG GLU A 48 5.562 -0.519 -5.750 1.00 55.24 C ATOM 740 CD GLU A 48 6.128 -1.642 -4.903 1.00 41.24 C ATOM 741 OE1 GLU A 48 7.270 -2.069 -5.171 1.00 5.13 O ATOM 742 OE2 GLU A 48 5.428 -2.093 -3.973 1.00 21.04 O ATOM 0 H GLU A 48 6.878 0.349 -9.399 1.00 51.12 H new ATOM 0 HA GLU A 48 4.175 0.081 -8.264 1.00 41.31 H new ATOM 0 HB2 GLU A 48 5.610 -1.669 -7.553 1.00 54.01 H new ATOM 0 HB3 GLU A 48 6.979 -0.594 -7.351 1.00 54.01 H new ATOM 0 HG2 GLU A 48 5.949 0.434 -5.389 1.00 55.24 H new ATOM 0 HG3 GLU A 48 4.479 -0.489 -5.630 1.00 55.24 H new ATOM 749 N PHE A 49 4.092 2.216 -7.026 1.00 30.12 N ATOM 750 CA PHE A 49 3.992 3.515 -6.371 1.00 23.14 C ATOM 751 C PHE A 49 3.472 3.366 -4.944 1.00 13.00 C ATOM 752 O PHE A 49 2.695 2.458 -4.648 1.00 5.53 O ATOM 753 CB PHE A 49 3.072 4.442 -7.167 1.00 41.21 C ATOM 754 CG PHE A 49 1.726 3.844 -7.460 1.00 32.01 C ATOM 755 CD1 PHE A 49 1.551 2.992 -8.538 1.00 64.32 C ATOM 756 CD2 PHE A 49 0.635 4.134 -6.657 1.00 14.32 C ATOM 757 CE1 PHE A 49 0.314 2.439 -8.810 1.00 50.23 C ATOM 758 CE2 PHE A 49 -0.605 3.584 -6.924 1.00 0.54 C ATOM 759 CZ PHE A 49 -0.766 2.737 -8.002 1.00 62.13 C ATOM 0 H PHE A 49 3.204 1.724 -7.125 1.00 30.12 H new ATOM 0 HA PHE A 49 4.990 3.952 -6.332 1.00 23.14 H new ATOM 0 HB2 PHE A 49 2.935 5.370 -6.611 1.00 41.21 H new ATOM 0 HB3 PHE A 49 3.557 4.702 -8.108 1.00 41.21 H new ATOM 0 HD1 PHE A 49 2.392 2.757 -9.174 1.00 64.32 H new ATOM 0 HD2 PHE A 49 0.754 4.797 -5.813 1.00 14.32 H new ATOM 0 HE1 PHE A 49 0.192 1.775 -9.653 1.00 50.23 H new ATOM 0 HE2 PHE A 49 -1.447 3.817 -6.289 1.00 0.54 H new ATOM 0 HZ PHE A 49 -1.734 2.308 -8.213 1.00 62.13 H new ATOM 769 N GLU A 50 3.906 4.264 -4.065 1.00 61.11 N ATOM 770 CA GLU A 50 3.485 4.231 -2.669 1.00 41.44 C ATOM 771 C GLU A 50 2.492 5.352 -2.374 1.00 43.14 C ATOM 772 O GLU A 50 2.881 6.499 -2.153 1.00 42.03 O ATOM 773 CB GLU A 50 4.698 4.353 -1.745 1.00 1.23 C ATOM 774 CG GLU A 50 4.857 3.181 -0.791 1.00 70.24 C ATOM 775 CD GLU A 50 3.972 3.301 0.434 1.00 50.20 C ATOM 776 OE1 GLU A 50 2.746 3.468 0.267 1.00 51.10 O ATOM 777 OE2 GLU A 50 4.506 3.228 1.560 1.00 4.24 O ATOM 0 H GLU A 50 4.548 5.022 -4.294 1.00 61.11 H new ATOM 0 HA GLU A 50 2.993 3.276 -2.487 1.00 41.44 H new ATOM 0 HB2 GLU A 50 5.599 4.441 -2.352 1.00 1.23 H new ATOM 0 HB3 GLU A 50 4.612 5.273 -1.166 1.00 1.23 H new ATOM 0 HG2 GLU A 50 4.621 2.256 -1.316 1.00 70.24 H new ATOM 0 HG3 GLU A 50 5.898 3.112 -0.477 1.00 70.24 H new ATOM 784 N VAL A 51 1.207 5.011 -2.373 1.00 44.43 N ATOM 785 CA VAL A 51 0.158 5.987 -2.105 1.00 51.33 C ATOM 786 C VAL A 51 0.414 6.724 -0.796 1.00 3.35 C ATOM 787 O VAL A 51 0.583 6.104 0.254 1.00 54.12 O ATOM 788 CB VAL A 51 -1.228 5.318 -2.042 1.00 40.24 C ATOM 789 CG1 VAL A 51 -1.550 4.632 -3.361 1.00 52.11 C ATOM 790 CG2 VAL A 51 -1.290 4.329 -0.888 1.00 43.13 C ATOM 0 H VAL A 51 0.868 4.066 -2.555 1.00 44.43 H new ATOM 0 HA VAL A 51 0.172 6.701 -2.929 1.00 51.33 H new ATOM 0 HB VAL A 51 -1.978 6.090 -1.869 1.00 40.24 H new ATOM 0 HG11 VAL A 51 -2.533 4.165 -3.298 1.00 52.11 H new ATOM 0 HG12 VAL A 51 -1.549 5.369 -4.164 1.00 52.11 H new ATOM 0 HG13 VAL A 51 -0.799 3.870 -3.568 1.00 52.11 H new ATOM 0 HG21 VAL A 51 -2.276 3.866 -0.858 1.00 43.13 H new ATOM 0 HG22 VAL A 51 -0.531 3.559 -1.028 1.00 43.13 H new ATOM 0 HG23 VAL A 51 -1.107 4.853 0.050 1.00 43.13 H new ATOM 800 N GLU A 52 0.442 8.052 -0.865 1.00 61.42 N ATOM 801 CA GLU A 52 0.678 8.873 0.316 1.00 4.01 C ATOM 802 C GLU A 52 -0.581 9.643 0.704 1.00 44.31 C ATOM 803 O GLU A 52 -1.304 10.168 -0.143 1.00 64.34 O ATOM 804 CB GLU A 52 1.829 9.849 0.064 1.00 44.21 C ATOM 805 CG GLU A 52 2.757 10.017 1.256 1.00 51.54 C ATOM 806 CD GLU A 52 3.223 8.691 1.824 1.00 12.22 C ATOM 807 OE1 GLU A 52 3.181 7.683 1.088 1.00 52.32 O ATOM 808 OE2 GLU A 52 3.629 8.661 3.005 1.00 71.25 O ATOM 0 H GLU A 52 0.304 8.581 -1.726 1.00 61.42 H new ATOM 0 HA GLU A 52 0.946 8.211 1.139 1.00 4.01 H new ATOM 0 HB2 GLU A 52 2.409 9.501 -0.791 1.00 44.21 H new ATOM 0 HB3 GLU A 52 1.417 10.822 -0.205 1.00 44.21 H new ATOM 0 HG2 GLU A 52 3.625 10.605 0.956 1.00 51.54 H new ATOM 0 HG3 GLU A 52 2.244 10.581 2.035 1.00 51.54 H new ATOM 815 N PRO A 53 -0.850 9.713 2.016 1.00 52.41 N ATOM 816 CA PRO A 53 -2.022 10.417 2.547 1.00 64.21 C ATOM 817 C PRO A 53 -1.910 11.929 2.389 1.00 11.43 C ATOM 818 O PRO A 53 -2.326 12.490 1.376 1.00 13.14 O ATOM 819 CB PRO A 53 -2.025 10.032 4.029 1.00 42.45 C ATOM 820 CG PRO A 53 -0.604 9.707 4.339 1.00 54.54 C ATOM 821 CD PRO A 53 -0.032 9.112 3.082 1.00 30.32 C ATOM 0 HA PRO A 53 -2.936 10.144 2.020 1.00 64.21 H new ATOM 0 HB2 PRO A 53 -2.388 10.851 4.650 1.00 42.45 H new ATOM 0 HB3 PRO A 53 -2.676 9.178 4.215 1.00 42.45 H new ATOM 0 HG2 PRO A 53 -0.054 10.601 4.633 1.00 54.54 H new ATOM 0 HG3 PRO A 53 -0.537 9.004 5.169 1.00 54.54 H new ATOM 0 HD2 PRO A 53 1.023 9.358 2.965 1.00 30.32 H new ATOM 0 HD3 PRO A 53 -0.108 8.025 3.082 1.00 30.32 H new ATOM 829 N GLY A 54 -1.345 12.585 3.399 1.00 42.15 N ATOM 830 CA GLY A 54 -1.189 14.027 3.351 1.00 4.25 C ATOM 831 C GLY A 54 0.029 14.453 2.555 1.00 20.23 C ATOM 832 O GLY A 54 0.873 15.199 3.051 1.00 42.30 O ATOM 0 H GLY A 54 -0.993 12.144 4.249 1.00 42.15 H new ATOM 0 HA2 GLY A 54 -2.081 14.471 2.910 1.00 4.25 H new ATOM 0 HA3 GLY A 54 -1.109 14.415 4.367 1.00 4.25 H new ATOM 836 N ARG A 55 0.122 13.976 1.318 1.00 35.12 N ATOM 837 CA ARG A 55 1.247 14.309 0.453 1.00 14.30 C ATOM 838 C ARG A 55 0.766 14.668 -0.950 1.00 12.51 C ATOM 839 O ARG A 55 1.273 15.602 -1.571 1.00 33.30 O ATOM 840 CB ARG A 55 2.228 13.138 0.383 1.00 3.11 C ATOM 841 CG ARG A 55 3.685 13.556 0.505 1.00 34.01 C ATOM 842 CD ARG A 55 4.052 14.605 -0.533 1.00 61.40 C ATOM 843 NE ARG A 55 4.047 15.954 0.026 1.00 32.22 N ATOM 844 CZ ARG A 55 4.080 17.056 -0.714 1.00 44.20 C ATOM 845 NH1 ARG A 55 4.121 16.970 -2.036 1.00 70.14 N ATOM 846 NH2 ARG A 55 4.073 18.248 -0.131 1.00 51.45 N ATOM 0 H ARG A 55 -0.569 13.358 0.892 1.00 35.12 H new ATOM 0 HA ARG A 55 1.755 15.175 0.877 1.00 14.30 H new ATOM 0 HB2 ARG A 55 1.994 12.431 1.179 1.00 3.11 H new ATOM 0 HB3 ARG A 55 2.087 12.613 -0.562 1.00 3.11 H new ATOM 0 HG2 ARG A 55 3.869 13.951 1.504 1.00 34.01 H new ATOM 0 HG3 ARG A 55 4.327 12.683 0.384 1.00 34.01 H new ATOM 0 HD2 ARG A 55 5.040 14.384 -0.938 1.00 61.40 H new ATOM 0 HD3 ARG A 55 3.348 14.554 -1.364 1.00 61.40 H new ATOM 0 HE ARG A 55 4.016 16.055 1.040 1.00 32.22 H new ATOM 0 HH11 ARG A 55 4.127 16.055 -2.488 1.00 70.14 H new ATOM 0 HH12 ARG A 55 4.146 17.818 -2.602 1.00 70.14 H new ATOM 0 HH21 ARG A 55 4.042 18.318 0.886 1.00 51.45 H new ATOM 0 HH22 ARG A 55 4.098 19.094 -0.700 1.00 51.45 H new ATOM 860 N GLY A 56 -0.216 13.920 -1.443 1.00 61.34 N ATOM 861 CA GLY A 56 -0.748 14.174 -2.769 1.00 51.14 C ATOM 862 C GLY A 56 -1.727 15.331 -2.789 1.00 35.12 C ATOM 863 O GLY A 56 -2.591 15.437 -1.919 1.00 73.23 O ATOM 0 H GLY A 56 -0.653 13.143 -0.948 1.00 61.34 H new ATOM 0 HA2 GLY A 56 0.074 14.386 -3.453 1.00 51.14 H new ATOM 0 HA3 GLY A 56 -1.244 13.276 -3.136 1.00 51.14 H new ATOM 867 N GLY A 57 -1.592 16.203 -3.784 1.00 21.33 N ATOM 868 CA GLY A 57 -2.477 17.347 -3.893 1.00 55.10 C ATOM 869 C GLY A 57 -3.938 16.966 -3.752 1.00 62.35 C ATOM 870 O GLY A 57 -4.728 17.708 -3.170 1.00 12.43 O ATOM 0 H GLY A 57 -0.885 16.137 -4.516 1.00 21.33 H new ATOM 0 HA2 GLY A 57 -2.219 18.076 -3.125 1.00 55.10 H new ATOM 0 HA3 GLY A 57 -2.322 17.831 -4.857 1.00 55.10 H new ATOM 874 N LYS A 58 -4.299 15.805 -4.289 1.00 23.01 N ATOM 875 CA LYS A 58 -5.674 15.325 -4.222 1.00 1.24 C ATOM 876 C LYS A 58 -5.832 14.280 -3.122 1.00 73.21 C ATOM 877 O LYS A 58 -6.942 14.011 -2.663 1.00 64.33 O ATOM 878 CB LYS A 58 -6.095 14.732 -5.568 1.00 55.41 C ATOM 879 CG LYS A 58 -6.638 15.763 -6.543 1.00 64.14 C ATOM 880 CD LYS A 58 -8.157 15.790 -6.539 1.00 22.21 C ATOM 881 CE LYS A 58 -8.701 16.310 -5.217 1.00 72.23 C ATOM 882 NZ LYS A 58 -8.410 17.758 -5.029 1.00 24.14 N ATOM 0 H LYS A 58 -3.658 15.179 -4.776 1.00 23.01 H new ATOM 0 HA LYS A 58 -6.318 16.173 -3.989 1.00 1.24 H new ATOM 0 HB2 LYS A 58 -5.238 14.233 -6.020 1.00 55.41 H new ATOM 0 HB3 LYS A 58 -6.855 13.969 -5.398 1.00 55.41 H new ATOM 0 HG2 LYS A 58 -6.255 16.749 -6.281 1.00 64.14 H new ATOM 0 HG3 LYS A 58 -6.280 15.539 -7.548 1.00 64.14 H new ATOM 0 HD2 LYS A 58 -8.513 16.421 -7.354 1.00 22.21 H new ATOM 0 HD3 LYS A 58 -8.540 14.786 -6.722 1.00 22.21 H new ATOM 0 HE2 LYS A 58 -9.778 16.148 -5.179 1.00 72.23 H new ATOM 0 HE3 LYS A 58 -8.264 15.742 -4.396 1.00 72.23 H new ATOM 0 HZ1 LYS A 58 -7.850 17.890 -4.163 1.00 24.14 H new ATOM 0 HZ2 LYS A 58 -7.873 18.113 -5.846 1.00 24.14 H new ATOM 0 HZ3 LYS A 58 -9.303 18.284 -4.947 1.00 24.14 H new ATOM 896 N GLY A 59 -4.715 13.694 -2.703 1.00 4.43 N ATOM 897 CA GLY A 59 -4.752 12.686 -1.659 1.00 44.43 C ATOM 898 C GLY A 59 -3.670 11.638 -1.828 1.00 32.43 C ATOM 899 O GLY A 59 -2.501 11.866 -1.519 1.00 5.10 O ATOM 0 H GLY A 59 -3.785 13.899 -3.068 1.00 4.43 H new ATOM 0 HA2 GLY A 59 -4.638 13.168 -0.688 1.00 44.43 H new ATOM 0 HA3 GLY A 59 -5.728 12.200 -1.661 1.00 44.43 H new ATOM 903 N PRO A 60 -4.060 10.455 -2.327 1.00 42.21 N ATOM 904 CA PRO A 60 -3.130 9.343 -2.546 1.00 40.30 C ATOM 905 C PRO A 60 -2.158 9.617 -3.689 1.00 34.40 C ATOM 906 O PRO A 60 -2.560 9.703 -4.849 1.00 11.20 O ATOM 907 CB PRO A 60 -4.053 8.173 -2.897 1.00 4.33 C ATOM 908 CG PRO A 60 -5.279 8.811 -3.452 1.00 42.14 C ATOM 909 CD PRO A 60 -5.438 10.113 -2.717 1.00 0.00 C ATOM 0 HA PRO A 60 -2.500 9.160 -1.675 1.00 40.30 H new ATOM 0 HB2 PRO A 60 -3.589 7.507 -3.625 1.00 4.33 H new ATOM 0 HB3 PRO A 60 -4.283 7.572 -2.017 1.00 4.33 H new ATOM 0 HG2 PRO A 60 -5.180 8.978 -4.525 1.00 42.14 H new ATOM 0 HG3 PRO A 60 -6.151 8.173 -3.308 1.00 42.14 H new ATOM 0 HD2 PRO A 60 -5.878 10.882 -3.352 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.087 10.007 -1.848 1.00 0.00 H new ATOM 917 N GLN A 61 -0.879 9.751 -3.353 1.00 75.11 N ATOM 918 CA GLN A 61 0.149 10.015 -4.353 1.00 32.33 C ATOM 919 C GLN A 61 1.185 8.896 -4.376 1.00 71.22 C ATOM 920 O GLN A 61 1.143 7.980 -3.555 1.00 12.52 O ATOM 921 CB GLN A 61 0.833 11.353 -4.070 1.00 52.55 C ATOM 922 CG GLN A 61 1.604 11.378 -2.761 1.00 2.42 C ATOM 923 CD GLN A 61 2.900 12.159 -2.861 1.00 52.14 C ATOM 924 OE1 GLN A 61 3.872 11.803 -2.030 1.00 10.32 O flip ATOM 925 NE2 GLN A 61 3.026 13.072 -3.678 1.00 12.44 N flip ATOM 0 H GLN A 61 -0.530 9.681 -2.397 1.00 75.11 H new ATOM 0 HA GLN A 61 -0.332 10.060 -5.330 1.00 32.33 H new ATOM 0 HB2 GLN A 61 1.515 11.583 -4.888 1.00 52.55 H new ATOM 0 HB3 GLN A 61 0.079 12.140 -4.053 1.00 52.55 H new ATOM 0 HG2 GLN A 61 0.979 11.817 -1.984 1.00 2.42 H new ATOM 0 HG3 GLN A 61 1.823 10.356 -2.453 1.00 2.42 H new ATOM 0 HE21 GLN A 61 2.252 13.312 -4.298 1.00 12.44 H new ATOM 0 HE22 GLN A 61 3.904 13.588 -3.735 1.00 12.44 H new ATOM 934 N ALA A 62 2.114 8.976 -5.323 1.00 50.21 N ATOM 935 CA ALA A 62 3.162 7.971 -5.452 1.00 51.34 C ATOM 936 C ALA A 62 4.396 8.358 -4.645 1.00 2.31 C ATOM 937 O ALA A 62 5.489 8.506 -5.193 1.00 73.12 O ATOM 938 CB ALA A 62 3.527 7.775 -6.916 1.00 72.43 C ATOM 0 H ALA A 62 2.162 9.726 -6.012 1.00 50.21 H new ATOM 0 HA ALA A 62 2.780 7.031 -5.054 1.00 51.34 H new ATOM 0 HB1 ALA A 62 4.311 7.022 -6.998 1.00 72.43 H new ATOM 0 HB2 ALA A 62 2.648 7.445 -7.469 1.00 72.43 H new ATOM 0 HB3 ALA A 62 3.885 8.717 -7.331 1.00 72.43 H new ATOM 944 N LYS A 63 4.216 8.522 -3.339 1.00 14.22 N ATOM 945 CA LYS A 63 5.314 8.892 -2.454 1.00 63.24 C ATOM 946 C LYS A 63 6.589 8.142 -2.827 1.00 71.54 C ATOM 947 O LYS A 63 7.671 8.725 -2.884 1.00 5.30 O ATOM 948 CB LYS A 63 4.945 8.599 -0.998 1.00 71.25 C ATOM 949 CG LYS A 63 6.148 8.446 -0.084 1.00 44.35 C ATOM 950 CD LYS A 63 6.972 9.722 -0.029 1.00 51.13 C ATOM 951 CE LYS A 63 6.153 10.892 0.494 1.00 53.15 C ATOM 952 NZ LYS A 63 6.975 12.125 0.637 1.00 43.24 N ATOM 0 H LYS A 63 3.318 8.404 -2.869 1.00 14.22 H new ATOM 0 HA LYS A 63 5.495 9.961 -2.568 1.00 63.24 H new ATOM 0 HB2 LYS A 63 4.314 9.405 -0.623 1.00 71.25 H new ATOM 0 HB3 LYS A 63 4.351 7.686 -0.959 1.00 71.25 H new ATOM 0 HG2 LYS A 63 5.813 8.185 0.920 1.00 44.35 H new ATOM 0 HG3 LYS A 63 6.771 7.624 -0.436 1.00 44.35 H new ATOM 0 HD2 LYS A 63 7.840 9.569 0.612 1.00 51.13 H new ATOM 0 HD3 LYS A 63 7.349 9.956 -1.025 1.00 51.13 H new ATOM 0 HE2 LYS A 63 5.323 11.086 -0.185 1.00 53.15 H new ATOM 0 HE3 LYS A 63 5.721 10.630 1.460 1.00 53.15 H new ATOM 0 HZ1 LYS A 63 6.384 12.894 1.012 1.00 43.24 H new ATOM 0 HZ2 LYS A 63 7.763 11.943 1.291 1.00 43.24 H new ATOM 0 HZ3 LYS A 63 7.353 12.400 -0.292 1.00 43.24 H new ATOM 966 N LYS A 64 6.453 6.845 -3.083 1.00 24.45 N ATOM 967 CA LYS A 64 7.593 6.014 -3.453 1.00 41.12 C ATOM 968 C LYS A 64 7.298 5.221 -4.722 1.00 63.40 C ATOM 969 O LYS A 64 6.517 4.269 -4.704 1.00 3.12 O ATOM 970 CB LYS A 64 7.946 5.058 -2.312 1.00 4.14 C ATOM 971 CG LYS A 64 9.434 4.990 -2.014 1.00 3.03 C ATOM 972 CD LYS A 64 9.809 5.879 -0.840 1.00 22.02 C ATOM 973 CE LYS A 64 9.468 5.221 0.489 1.00 44.24 C ATOM 974 NZ LYS A 64 8.485 6.022 1.268 1.00 14.50 N ATOM 0 H LYS A 64 5.564 6.346 -3.041 1.00 24.45 H new ATOM 0 HA LYS A 64 8.442 6.670 -3.644 1.00 41.12 H new ATOM 0 HB2 LYS A 64 7.417 5.370 -1.411 1.00 4.14 H new ATOM 0 HB3 LYS A 64 7.588 4.059 -2.562 1.00 4.14 H new ATOM 0 HG2 LYS A 64 9.716 3.960 -1.796 1.00 3.03 H new ATOM 0 HG3 LYS A 64 9.997 5.294 -2.896 1.00 3.03 H new ATOM 0 HD2 LYS A 64 10.876 6.099 -0.875 1.00 22.02 H new ATOM 0 HD3 LYS A 64 9.284 6.831 -0.921 1.00 22.02 H new ATOM 0 HE2 LYS A 64 9.063 4.225 0.308 1.00 44.24 H new ATOM 0 HE3 LYS A 64 10.378 5.093 1.075 1.00 44.24 H new ATOM 0 HZ1 LYS A 64 8.368 5.605 2.213 1.00 14.50 H new ATOM 0 HZ2 LYS A 64 8.829 6.999 1.361 1.00 14.50 H new ATOM 0 HZ3 LYS A 64 7.569 6.023 0.775 1.00 14.50 H new ATOM 988 N VAL A 65 7.929 5.617 -5.823 1.00 2.22 N ATOM 989 CA VAL A 65 7.736 4.941 -7.100 1.00 44.21 C ATOM 990 C VAL A 65 8.976 4.146 -7.494 1.00 31.45 C ATOM 991 O VAL A 65 10.104 4.582 -7.265 1.00 63.21 O ATOM 992 CB VAL A 65 7.406 5.944 -8.222 1.00 1.04 C ATOM 993 CG1 VAL A 65 8.281 5.690 -9.440 1.00 2.43 C ATOM 994 CG2 VAL A 65 5.932 5.866 -8.588 1.00 51.04 C ATOM 0 H VAL A 65 8.578 6.403 -5.856 1.00 2.22 H new ATOM 0 HA VAL A 65 6.895 4.259 -6.973 1.00 44.21 H new ATOM 0 HB VAL A 65 7.614 6.951 -7.859 1.00 1.04 H new ATOM 0 HG11 VAL A 65 8.034 6.408 -10.222 1.00 2.43 H new ATOM 0 HG12 VAL A 65 9.330 5.801 -9.164 1.00 2.43 H new ATOM 0 HG13 VAL A 65 8.108 4.679 -9.808 1.00 2.43 H new ATOM 0 HG21 VAL A 65 5.716 6.581 -9.382 1.00 51.04 H new ATOM 0 HG22 VAL A 65 5.695 4.859 -8.932 1.00 51.04 H new ATOM 0 HG23 VAL A 65 5.327 6.102 -7.713 1.00 51.04 H new ATOM 1004 N ARG A 66 8.758 2.976 -8.087 1.00 2.44 N ATOM 1005 CA ARG A 66 9.858 2.119 -8.512 1.00 30.24 C ATOM 1006 C ARG A 66 9.649 1.637 -9.944 1.00 43.03 C ATOM 1007 O ARG A 66 8.528 1.333 -10.350 1.00 74.32 O ATOM 1008 CB ARG A 66 9.989 0.918 -7.572 1.00 40.45 C ATOM 1009 CG ARG A 66 10.391 1.294 -6.156 1.00 0.43 C ATOM 1010 CD ARG A 66 10.187 0.136 -5.193 1.00 33.45 C ATOM 1011 NE ARG A 66 10.987 0.284 -3.980 1.00 42.00 N ATOM 1012 CZ ARG A 66 11.298 -0.727 -3.176 1.00 41.13 C ATOM 1013 NH1 ARG A 66 10.878 -1.953 -3.455 1.00 64.23 N ATOM 1014 NH2 ARG A 66 12.031 -0.512 -2.091 1.00 71.11 N ATOM 0 H ARG A 66 7.830 2.601 -8.284 1.00 2.44 H new ATOM 0 HA ARG A 66 10.777 2.704 -8.474 1.00 30.24 H new ATOM 0 HB2 ARG A 66 9.038 0.386 -7.541 1.00 40.45 H new ATOM 0 HB3 ARG A 66 10.728 0.228 -7.979 1.00 40.45 H new ATOM 0 HG2 ARG A 66 11.437 1.600 -6.143 1.00 0.43 H new ATOM 0 HG3 ARG A 66 9.804 2.151 -5.826 1.00 0.43 H new ATOM 0 HD2 ARG A 66 9.132 0.069 -4.926 1.00 33.45 H new ATOM 0 HD3 ARG A 66 10.450 -0.798 -5.689 1.00 33.45 H new ATOM 0 HE ARG A 66 11.326 1.215 -3.737 1.00 42.00 H new ATOM 0 HH11 ARG A 66 10.315 -2.122 -4.288 1.00 64.23 H new ATOM 0 HH12 ARG A 66 11.118 -2.728 -2.836 1.00 64.23 H new ATOM 0 HH21 ARG A 66 12.356 0.430 -1.874 1.00 71.11 H new ATOM 0 HH22 ARG A 66 12.269 -1.289 -1.474 1.00 71.11 H new ATOM 1028 N ARG A 67 10.737 1.571 -10.705 1.00 50.02 N ATOM 1029 CA ARG A 67 10.673 1.128 -12.093 1.00 11.22 C ATOM 1030 C ARG A 67 10.539 -0.390 -12.173 1.00 52.34 C ATOM 1031 O ARG A 67 11.225 -1.122 -11.460 1.00 12.14 O ATOM 1032 CB ARG A 67 11.920 1.582 -12.853 1.00 64.23 C ATOM 1033 CG ARG A 67 11.628 2.574 -13.966 1.00 53.54 C ATOM 1034 CD ARG A 67 12.840 3.439 -14.275 1.00 63.32 C ATOM 1035 NE ARG A 67 13.023 3.633 -15.711 1.00 73.11 N ATOM 1036 CZ ARG A 67 13.469 2.687 -16.530 1.00 22.12 C ATOM 1037 NH1 ARG A 67 13.777 1.487 -16.057 1.00 11.23 N ATOM 1038 NH2 ARG A 67 13.608 2.940 -17.825 1.00 4.12 N ATOM 0 H ARG A 67 11.673 1.819 -10.384 1.00 50.02 H new ATOM 0 HA ARG A 67 9.793 1.578 -12.552 1.00 11.22 H new ATOM 0 HB2 ARG A 67 12.619 2.034 -12.149 1.00 64.23 H new ATOM 0 HB3 ARG A 67 12.415 0.708 -13.277 1.00 64.23 H new ATOM 0 HG2 ARG A 67 11.326 2.036 -14.864 1.00 53.54 H new ATOM 0 HG3 ARG A 67 10.790 3.209 -13.678 1.00 53.54 H new ATOM 0 HD2 ARG A 67 12.726 4.408 -13.790 1.00 63.32 H new ATOM 0 HD3 ARG A 67 13.733 2.975 -13.855 1.00 63.32 H new ATOM 0 HE ARG A 67 12.796 4.545 -16.107 1.00 73.11 H new ATOM 0 HH11 ARG A 67 13.672 1.289 -15.062 1.00 11.23 H new ATOM 0 HH12 ARG A 67 14.119 0.762 -16.688 1.00 11.23 H new ATOM 0 HH21 ARG A 67 13.372 3.862 -18.193 1.00 4.12 H new ATOM 0 HH22 ARG A 67 13.951 2.213 -18.453 1.00 4.12 H new ATOM 1052 N ILE A 68 9.651 -0.854 -13.046 1.00 62.41 N ATOM 1053 CA ILE A 68 9.428 -2.284 -13.220 1.00 20.31 C ATOM 1054 C ILE A 68 9.238 -2.636 -14.691 1.00 62.25 C ATOM 1055 O ILE A 68 8.189 -2.365 -15.275 1.00 51.25 O ATOM 1056 CB ILE A 68 8.198 -2.763 -12.426 1.00 53.45 C ATOM 1057 CG1 ILE A 68 8.202 -2.156 -11.022 1.00 23.23 C ATOM 1058 CG2 ILE A 68 8.173 -4.282 -12.353 1.00 55.04 C ATOM 1059 CD1 ILE A 68 9.253 -2.751 -10.110 1.00 74.32 C ATOM 0 H ILE A 68 9.075 -0.261 -13.643 1.00 62.41 H new ATOM 0 HA ILE A 68 10.315 -2.790 -12.840 1.00 20.31 H new ATOM 0 HB ILE A 68 7.298 -2.429 -12.943 1.00 53.45 H new ATOM 0 HG12 ILE A 68 8.366 -1.081 -11.100 1.00 23.23 H new ATOM 0 HG13 ILE A 68 7.220 -2.296 -10.571 1.00 23.23 H new ATOM 0 HG21 ILE A 68 7.298 -4.605 -11.789 1.00 55.04 H new ATOM 0 HG22 ILE A 68 8.127 -4.694 -13.361 1.00 55.04 H new ATOM 0 HG23 ILE A 68 9.076 -4.637 -11.857 1.00 55.04 H new ATOM 0 HD11 ILE A 68 9.198 -2.274 -9.132 1.00 74.32 H new ATOM 0 HD12 ILE A 68 9.077 -3.821 -10.002 1.00 74.32 H new ATOM 0 HD13 ILE A 68 10.242 -2.587 -10.539 1.00 74.32 H new TER 1071 ILE A 68