USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=22 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 13 LYS NZ :NH3+ 176:sc= 1.54! (180deg=0.624) USER MOD Set 1.2: A 15 ASN : amide:sc= -1.35! C(o=0.53!,f=-21!) USER MOD Set 1.3: A 21 THR OG1 : rot -104:sc= 0.342! USER MOD Set 2.1: A 6 THR OG1 : rot -72:sc= 2.2 USER MOD Set 2.2: A 8 LYS NZ :NH3+ -177:sc= 1.47! (180deg=0.818) USER MOD Single : A 1 THR N :NH3+ -126:sc= 0.558 (180deg=0.00596) USER MOD Single : A 1 THR OG1 : rot 58:sc= 1.3 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 170:sc= -1.41! USER MOD Single : A 23 LYS NZ :NH3+ -168:sc= 1.24 (180deg=0.86) USER MOD Single : A 27 LYS NZ :NH3+ 152:sc= 0.692 (180deg=-0.223!) USER MOD Single : A 31 THR OG1 : rot -120:sc= -2.21 USER MOD Single : A 32 ASN : amide:sc= -0.0557 X(o=-0.056,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.31 K(o=-0.31,f=-1.1) USER MOD Single : A 37 GLN : amide:sc= -0.667 X(o=-0.67,f=-0.5) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -97:sc= 1.06 USER MOD Single : A 44 GLN : amide:sc= -0.0197 X(o=-0.02,f=0) USER MOD Single : A 46 THR OG1 : rot -98:sc= 1.18 USER MOD Single : A 48 MET CE :methyl -169:sc= 0 (180deg=-0.199) USER MOD Single : A 49 THR OG1 : rot -64:sc= 0.472 USER MOD Single : A 51 THR OG1 : rot -176:sc= -0.932 USER MOD Single : A 53 LYS NZ :NH3+ -177:sc= 1.68 (180deg=1.51) USER MOD Single : A 54 THR OG1 : rot -59:sc= 0.87 USER MOD Single : A 55 ASN : amide:sc= -0.216 X(o=-0.22,f=-0.52) USER MOD Single : A 58 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.0067) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 64 SER OG : rot -57:sc= 0.74 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 36.734 90.896 -80.840 1.00 0.00 N ATOM 2 CA THR A 1 35.575 90.664 -79.917 1.00 0.00 C ATOM 3 C THR A 1 35.303 91.930 -79.092 1.00 0.00 C ATOM 4 O THR A 1 36.111 92.843 -79.081 1.00 0.00 O ATOM 5 CB THR A 1 35.897 89.499 -78.965 1.00 0.00 C ATOM 6 OG1 THR A 1 37.298 89.264 -78.954 1.00 0.00 O ATOM 7 CG2 THR A 1 35.176 88.235 -79.433 1.00 0.00 C ATOM 0 H1 THR A 1 36.452 90.671 -81.815 1.00 0.00 H new ATOM 0 H2 THR A 1 37.027 91.892 -80.786 1.00 0.00 H new ATOM 0 H3 THR A 1 37.528 90.286 -80.560 1.00 0.00 H new ATOM 0 HA THR A 1 34.693 90.421 -80.509 1.00 0.00 H new ATOM 0 HB THR A 1 35.563 89.757 -77.960 1.00 0.00 H new ATOM 0 HG1 THR A 1 37.765 90.083 -78.688 1.00 0.00 H new ATOM 0 HG21 THR A 1 35.407 87.413 -78.756 1.00 0.00 H new ATOM 0 HG22 THR A 1 34.100 88.410 -79.437 1.00 0.00 H new ATOM 0 HG23 THR A 1 35.506 87.980 -80.440 1.00 0.00 H new ATOM 17 N PRO A 2 34.172 91.948 -78.419 1.00 0.00 N ATOM 18 CA PRO A 2 33.771 93.090 -77.573 1.00 0.00 C ATOM 19 C PRO A 2 34.530 93.048 -76.234 1.00 0.00 C ATOM 20 O PRO A 2 33.936 93.020 -75.168 1.00 0.00 O ATOM 21 CB PRO A 2 32.264 92.874 -77.374 1.00 0.00 C ATOM 22 CG PRO A 2 32.001 91.369 -77.618 1.00 0.00 C ATOM 23 CD PRO A 2 33.189 90.841 -78.442 1.00 0.00 C ATOM 0 HA PRO A 2 33.995 94.062 -78.013 1.00 0.00 H new ATOM 0 HB2 PRO A 2 31.960 93.163 -76.368 1.00 0.00 H new ATOM 0 HB3 PRO A 2 31.689 93.486 -78.069 1.00 0.00 H new ATOM 0 HG2 PRO A 2 31.917 90.833 -76.673 1.00 0.00 H new ATOM 0 HG3 PRO A 2 31.063 91.222 -78.153 1.00 0.00 H new ATOM 0 HD2 PRO A 2 33.603 89.932 -78.005 1.00 0.00 H new ATOM 0 HD3 PRO A 2 32.889 90.597 -79.461 1.00 0.00 H new ATOM 31 N ASP A 3 35.843 93.039 -76.284 1.00 0.00 N ATOM 32 CA ASP A 3 36.643 92.993 -75.022 1.00 0.00 C ATOM 33 C ASP A 3 36.891 94.429 -74.510 1.00 0.00 C ATOM 34 O ASP A 3 36.046 95.295 -74.671 1.00 0.00 O ATOM 35 CB ASP A 3 37.971 92.271 -75.283 1.00 0.00 C ATOM 36 CG ASP A 3 37.735 91.029 -76.151 1.00 0.00 C ATOM 37 OD1 ASP A 3 37.348 90.008 -75.606 1.00 0.00 O ATOM 38 OD2 ASP A 3 37.946 91.115 -77.348 1.00 0.00 O ATOM 0 H ASP A 3 36.392 93.062 -77.144 1.00 0.00 H new ATOM 0 HA ASP A 3 36.093 92.445 -74.257 1.00 0.00 H new ATOM 0 HB2 ASP A 3 38.668 92.945 -75.781 1.00 0.00 H new ATOM 0 HB3 ASP A 3 38.428 91.981 -74.337 1.00 0.00 H new ATOM 43 N CYS A 4 38.023 94.701 -73.878 1.00 0.00 N ATOM 44 CA CYS A 4 38.260 96.093 -73.367 1.00 0.00 C ATOM 45 C CYS A 4 39.696 96.297 -72.849 1.00 0.00 C ATOM 46 O CYS A 4 40.545 96.782 -73.569 1.00 0.00 O ATOM 47 CB CYS A 4 37.272 96.392 -72.242 1.00 0.00 C ATOM 48 SG CYS A 4 37.654 97.993 -71.491 1.00 0.00 S ATOM 0 H CYS A 4 38.773 94.033 -73.700 1.00 0.00 H new ATOM 0 HA CYS A 4 38.115 96.776 -74.204 1.00 0.00 H new ATOM 0 HB2 CYS A 4 36.254 96.398 -72.633 1.00 0.00 H new ATOM 0 HB3 CYS A 4 37.319 95.607 -71.487 1.00 0.00 H new ATOM 53 N VAL A 5 39.963 95.989 -71.594 1.00 0.00 N ATOM 54 CA VAL A 5 41.333 96.243 -71.028 1.00 0.00 C ATOM 55 C VAL A 5 41.846 95.047 -70.203 1.00 0.00 C ATOM 56 O VAL A 5 41.356 93.938 -70.307 1.00 0.00 O ATOM 57 CB VAL A 5 41.249 97.479 -70.114 1.00 0.00 C ATOM 58 CG1 VAL A 5 40.707 98.679 -70.896 1.00 0.00 C ATOM 59 CG2 VAL A 5 40.319 97.178 -68.930 1.00 0.00 C ATOM 0 H VAL A 5 39.295 95.576 -70.943 1.00 0.00 H new ATOM 0 HA VAL A 5 42.027 96.399 -71.854 1.00 0.00 H new ATOM 0 HB VAL A 5 42.247 97.716 -69.747 1.00 0.00 H new ATOM 0 HG11 VAL A 5 40.652 99.547 -70.239 1.00 0.00 H new ATOM 0 HG12 VAL A 5 41.371 98.898 -71.732 1.00 0.00 H new ATOM 0 HG13 VAL A 5 39.711 98.447 -71.274 1.00 0.00 H new ATOM 0 HG21 VAL A 5 40.259 98.053 -68.283 1.00 0.00 H new ATOM 0 HG22 VAL A 5 39.324 96.933 -69.302 1.00 0.00 H new ATOM 0 HG23 VAL A 5 40.712 96.334 -68.364 1.00 0.00 H new ATOM 69 N THR A 6 42.844 95.286 -69.377 1.00 0.00 N ATOM 70 CA THR A 6 43.424 94.218 -68.521 1.00 0.00 C ATOM 71 C THR A 6 42.841 94.312 -67.108 1.00 0.00 C ATOM 72 O THR A 6 41.971 95.125 -66.848 1.00 0.00 O ATOM 73 CB THR A 6 44.942 94.383 -68.484 1.00 0.00 C ATOM 74 OG1 THR A 6 45.311 95.693 -68.046 1.00 0.00 O ATOM 75 CG2 THR A 6 45.491 94.127 -69.883 1.00 0.00 C ATOM 0 H THR A 6 43.283 96.200 -69.265 1.00 0.00 H new ATOM 0 HA THR A 6 43.178 93.238 -68.930 1.00 0.00 H new ATOM 0 HB THR A 6 45.361 93.669 -67.775 1.00 0.00 H new ATOM 0 HG1 THR A 6 45.107 96.343 -68.751 1.00 0.00 H new ATOM 0 HG21 THR A 6 46.575 94.241 -69.875 1.00 0.00 H new ATOM 0 HG22 THR A 6 45.235 93.114 -70.195 1.00 0.00 H new ATOM 0 HG23 THR A 6 45.056 94.843 -70.581 1.00 0.00 H new ATOM 83 N GLY A 7 43.282 93.470 -66.199 1.00 0.00 N ATOM 84 CA GLY A 7 42.707 93.505 -64.821 1.00 0.00 C ATOM 85 C GLY A 7 43.756 93.242 -63.733 1.00 0.00 C ATOM 86 O GLY A 7 43.678 92.258 -63.021 1.00 0.00 O ATOM 0 H GLY A 7 44.007 92.769 -66.353 1.00 0.00 H new ATOM 0 HA2 GLY A 7 42.247 94.478 -64.649 1.00 0.00 H new ATOM 0 HA3 GLY A 7 41.915 92.760 -64.744 1.00 0.00 H new ATOM 90 N LYS A 8 44.692 94.144 -63.562 1.00 0.00 N ATOM 91 CA LYS A 8 45.698 94.003 -62.462 1.00 0.00 C ATOM 92 C LYS A 8 44.938 94.305 -61.154 1.00 0.00 C ATOM 93 O LYS A 8 43.763 94.005 -61.061 1.00 0.00 O ATOM 94 CB LYS A 8 46.863 95.000 -62.655 1.00 0.00 C ATOM 95 CG LYS A 8 47.523 94.798 -64.020 1.00 0.00 C ATOM 96 CD LYS A 8 46.786 95.616 -65.068 1.00 0.00 C ATOM 97 CE LYS A 8 47.778 96.218 -66.061 1.00 0.00 C ATOM 98 NZ LYS A 8 47.016 97.006 -67.065 1.00 0.00 N ATOM 0 H LYS A 8 44.803 94.977 -64.140 1.00 0.00 H new ATOM 0 HA LYS A 8 46.136 93.005 -62.450 1.00 0.00 H new ATOM 0 HB2 LYS A 8 46.492 96.022 -62.572 1.00 0.00 H new ATOM 0 HB3 LYS A 8 47.601 94.863 -61.864 1.00 0.00 H new ATOM 0 HG2 LYS A 8 48.569 95.100 -63.978 1.00 0.00 H new ATOM 0 HG3 LYS A 8 47.507 93.742 -64.290 1.00 0.00 H new ATOM 0 HD2 LYS A 8 46.070 94.985 -65.595 1.00 0.00 H new ATOM 0 HD3 LYS A 8 46.216 96.410 -64.585 1.00 0.00 H new ATOM 0 HE2 LYS A 8 48.494 96.855 -65.543 1.00 0.00 H new ATOM 0 HE3 LYS A 8 48.349 95.430 -66.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 47.670 97.382 -67.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 46.314 96.393 -67.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 46.530 97.794 -66.592 1.00 0.00 H new ATOM 112 N VAL A 9 45.551 94.901 -60.152 1.00 0.00 N ATOM 113 CA VAL A 9 44.779 95.201 -58.891 1.00 0.00 C ATOM 114 C VAL A 9 45.428 96.325 -58.078 1.00 0.00 C ATOM 115 O VAL A 9 45.882 96.112 -56.972 1.00 0.00 O ATOM 116 CB VAL A 9 44.738 93.955 -58.029 1.00 0.00 C ATOM 117 CG1 VAL A 9 44.001 94.267 -56.724 1.00 0.00 C ATOM 118 CG2 VAL A 9 44.025 92.847 -58.791 1.00 0.00 C ATOM 0 H VAL A 9 46.530 95.188 -60.148 1.00 0.00 H new ATOM 0 HA VAL A 9 43.777 95.517 -59.182 1.00 0.00 H new ATOM 0 HB VAL A 9 45.750 93.628 -57.791 1.00 0.00 H new ATOM 0 HG11 VAL A 9 43.969 93.373 -56.101 1.00 0.00 H new ATOM 0 HG12 VAL A 9 44.524 95.062 -56.192 1.00 0.00 H new ATOM 0 HG13 VAL A 9 42.984 94.589 -56.948 1.00 0.00 H new ATOM 0 HG21 VAL A 9 43.991 91.947 -58.177 1.00 0.00 H new ATOM 0 HG22 VAL A 9 43.009 93.163 -59.027 1.00 0.00 H new ATOM 0 HG23 VAL A 9 44.563 92.636 -59.715 1.00 0.00 H new ATOM 128 N GLU A 10 45.455 97.529 -58.556 1.00 0.00 N ATOM 129 CA GLU A 10 46.093 98.574 -57.724 1.00 0.00 C ATOM 130 C GLU A 10 45.032 99.408 -57.015 1.00 0.00 C ATOM 131 O GLU A 10 44.990 100.614 -57.195 1.00 0.00 O ATOM 132 CB GLU A 10 46.990 99.454 -58.609 1.00 0.00 C ATOM 133 CG GLU A 10 48.453 98.978 -58.537 1.00 0.00 C ATOM 134 CD GLU A 10 48.530 97.452 -58.397 1.00 0.00 C ATOM 135 OE1 GLU A 10 48.256 96.768 -59.372 1.00 0.00 O ATOM 136 OE2 GLU A 10 48.867 96.995 -57.312 1.00 0.00 O ATOM 0 H GLU A 10 45.078 97.830 -59.455 1.00 0.00 H new ATOM 0 HA GLU A 10 46.711 98.104 -56.959 1.00 0.00 H new ATOM 0 HB2 GLU A 10 46.640 99.418 -59.641 1.00 0.00 H new ATOM 0 HB3 GLU A 10 46.923 100.493 -58.286 1.00 0.00 H new ATOM 0 HG2 GLU A 10 48.985 99.291 -59.435 1.00 0.00 H new ATOM 0 HG3 GLU A 10 48.951 99.450 -57.690 1.00 0.00 H new ATOM 143 N TYR A 11 44.198 98.756 -56.204 1.00 0.00 N ATOM 144 CA TYR A 11 43.101 99.474 -55.417 1.00 0.00 C ATOM 145 C TYR A 11 41.711 98.867 -55.723 1.00 0.00 C ATOM 146 O TYR A 11 41.129 99.117 -56.763 1.00 0.00 O ATOM 147 CB TYR A 11 43.105 100.983 -55.768 1.00 0.00 C ATOM 148 CG TYR A 11 41.985 101.761 -55.107 1.00 0.00 C ATOM 149 CD1 TYR A 11 40.676 101.676 -55.597 1.00 0.00 C ATOM 150 CD2 TYR A 11 42.273 102.618 -54.039 1.00 0.00 C ATOM 151 CE1 TYR A 11 39.658 102.436 -55.016 1.00 0.00 C ATOM 152 CE2 TYR A 11 41.253 103.385 -53.462 1.00 0.00 C ATOM 153 CZ TYR A 11 39.946 103.292 -53.950 1.00 0.00 C ATOM 154 OH TYR A 11 38.942 104.052 -53.385 1.00 0.00 O ATOM 0 H TYR A 11 44.230 97.748 -56.051 1.00 0.00 H new ATOM 0 HA TYR A 11 43.303 99.347 -54.353 1.00 0.00 H new ATOM 0 HB2 TYR A 11 44.061 101.414 -55.471 1.00 0.00 H new ATOM 0 HB3 TYR A 11 43.027 101.097 -56.849 1.00 0.00 H new ATOM 0 HD1 TYR A 11 40.453 101.021 -56.426 1.00 0.00 H new ATOM 0 HD2 TYR A 11 43.282 102.688 -53.660 1.00 0.00 H new ATOM 0 HE1 TYR A 11 38.648 102.362 -55.391 1.00 0.00 H new ATOM 0 HE2 TYR A 11 41.476 104.049 -52.640 1.00 0.00 H new ATOM 0 HH TYR A 11 39.311 104.591 -52.655 1.00 0.00 H new ATOM 164 N THR A 12 41.171 98.073 -54.816 1.00 0.00 N ATOM 165 CA THR A 12 39.807 97.469 -55.039 1.00 0.00 C ATOM 166 C THR A 12 38.859 97.946 -53.924 1.00 0.00 C ATOM 167 O THR A 12 38.779 97.344 -52.865 1.00 0.00 O ATOM 168 CB THR A 12 39.941 95.963 -54.953 1.00 0.00 C ATOM 169 OG1 THR A 12 40.622 95.481 -56.101 1.00 0.00 O ATOM 170 CG2 THR A 12 38.561 95.326 -54.867 1.00 0.00 C ATOM 0 H THR A 12 41.615 97.818 -53.934 1.00 0.00 H new ATOM 0 HA THR A 12 39.413 97.766 -56.011 1.00 0.00 H new ATOM 0 HB THR A 12 40.509 95.702 -54.060 1.00 0.00 H new ATOM 0 HG1 THR A 12 40.710 94.507 -56.044 1.00 0.00 H new ATOM 0 HG21 THR A 12 38.664 94.243 -54.805 1.00 0.00 H new ATOM 0 HG22 THR A 12 38.046 95.693 -53.979 1.00 0.00 H new ATOM 0 HG23 THR A 12 37.984 95.586 -55.755 1.00 0.00 H new ATOM 178 N LYS A 13 38.155 99.024 -54.151 1.00 0.00 N ATOM 179 CA LYS A 13 37.224 99.570 -53.109 1.00 0.00 C ATOM 180 C LYS A 13 35.995 98.663 -52.922 1.00 0.00 C ATOM 181 O LYS A 13 34.997 98.800 -53.615 1.00 0.00 O ATOM 182 CB LYS A 13 36.786 100.979 -53.537 1.00 0.00 C ATOM 183 CG LYS A 13 35.863 101.591 -52.480 1.00 0.00 C ATOM 184 CD LYS A 13 34.740 102.363 -53.179 1.00 0.00 C ATOM 185 CE LYS A 13 33.404 101.666 -52.925 1.00 0.00 C ATOM 186 NZ LYS A 13 33.257 100.506 -53.851 1.00 0.00 N ATOM 0 H LYS A 13 38.183 99.557 -55.020 1.00 0.00 H new ATOM 0 HA LYS A 13 37.744 99.611 -52.152 1.00 0.00 H new ATOM 0 HB2 LYS A 13 37.662 101.613 -53.676 1.00 0.00 H new ATOM 0 HB3 LYS A 13 36.271 100.932 -54.496 1.00 0.00 H new ATOM 0 HG2 LYS A 13 35.444 100.808 -51.848 1.00 0.00 H new ATOM 0 HG3 LYS A 13 36.428 102.258 -51.828 1.00 0.00 H new ATOM 0 HD2 LYS A 13 34.704 103.387 -52.808 1.00 0.00 H new ATOM 0 HD3 LYS A 13 34.935 102.418 -54.250 1.00 0.00 H new ATOM 0 HE2 LYS A 13 33.351 101.327 -51.891 1.00 0.00 H new ATOM 0 HE3 LYS A 13 32.583 102.368 -53.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 32.379 99.994 -53.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 33.221 100.848 -54.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 34.069 99.866 -53.737 1.00 0.00 H new ATOM 200 N TYR A 14 36.046 97.760 -51.966 1.00 0.00 N ATOM 201 CA TYR A 14 34.875 96.864 -51.708 1.00 0.00 C ATOM 202 C TYR A 14 33.874 97.568 -50.784 1.00 0.00 C ATOM 203 O TYR A 14 34.241 98.350 -49.915 1.00 0.00 O ATOM 204 CB TYR A 14 35.333 95.529 -51.069 1.00 0.00 C ATOM 205 CG TYR A 14 34.844 95.412 -49.632 1.00 0.00 C ATOM 206 CD1 TYR A 14 33.570 94.890 -49.363 1.00 0.00 C ATOM 207 CD2 TYR A 14 35.658 95.829 -48.576 1.00 0.00 C ATOM 208 CE1 TYR A 14 33.115 94.788 -48.044 1.00 0.00 C ATOM 209 CE2 TYR A 14 35.201 95.724 -47.253 1.00 0.00 C ATOM 210 CZ TYR A 14 33.928 95.204 -46.989 1.00 0.00 C ATOM 211 OH TYR A 14 33.472 95.104 -45.690 1.00 0.00 O ATOM 0 H TYR A 14 36.849 97.607 -51.355 1.00 0.00 H new ATOM 0 HA TYR A 14 34.394 96.642 -52.661 1.00 0.00 H new ATOM 0 HB2 TYR A 14 34.952 94.692 -51.655 1.00 0.00 H new ATOM 0 HB3 TYR A 14 36.421 95.466 -51.092 1.00 0.00 H new ATOM 0 HD1 TYR A 14 32.938 94.566 -50.177 1.00 0.00 H new ATOM 0 HD2 TYR A 14 36.639 96.232 -48.778 1.00 0.00 H new ATOM 0 HE1 TYR A 14 32.133 94.387 -47.842 1.00 0.00 H new ATOM 0 HE2 TYR A 14 35.832 96.045 -46.437 1.00 0.00 H new ATOM 0 HH TYR A 14 34.160 95.435 -45.075 1.00 0.00 H new ATOM 221 N ASN A 15 32.616 97.257 -50.965 1.00 0.00 N ATOM 222 CA ASN A 15 31.539 97.844 -50.116 1.00 0.00 C ATOM 223 C ASN A 15 30.237 97.046 -50.313 1.00 0.00 C ATOM 224 O ASN A 15 29.513 96.785 -49.367 1.00 0.00 O ATOM 225 CB ASN A 15 31.326 99.325 -50.485 1.00 0.00 C ATOM 226 CG ASN A 15 30.658 99.450 -51.858 1.00 0.00 C ATOM 227 OD1 ASN A 15 31.327 99.543 -52.867 1.00 0.00 O ATOM 228 ND2 ASN A 15 29.361 99.459 -51.945 1.00 0.00 N ATOM 0 H ASN A 15 32.285 96.608 -51.679 1.00 0.00 H new ATOM 0 HA ASN A 15 31.832 97.789 -49.068 1.00 0.00 H new ATOM 0 HB2 ASN A 15 30.707 99.808 -49.729 1.00 0.00 H new ATOM 0 HB3 ASN A 15 32.284 99.845 -50.492 1.00 0.00 H new ATOM 0 HD21 ASN A 15 28.912 99.544 -52.857 1.00 0.00 H new ATOM 0 HD22 ASN A 15 28.793 99.381 -51.102 1.00 0.00 H new ATOM 235 N ASP A 16 29.943 96.665 -51.537 1.00 0.00 N ATOM 236 CA ASP A 16 28.699 95.895 -51.837 1.00 0.00 C ATOM 237 C ASP A 16 28.705 94.553 -51.082 1.00 0.00 C ATOM 238 O ASP A 16 27.889 94.308 -50.211 1.00 0.00 O ATOM 239 CB ASP A 16 28.621 95.643 -53.352 1.00 0.00 C ATOM 240 CG ASP A 16 29.058 96.903 -54.106 1.00 0.00 C ATOM 241 OD1 ASP A 16 30.254 97.148 -54.163 1.00 0.00 O ATOM 242 OD2 ASP A 16 28.197 97.598 -54.609 1.00 0.00 O ATOM 0 H ASP A 16 30.526 96.861 -52.351 1.00 0.00 H new ATOM 0 HA ASP A 16 27.831 96.469 -51.512 1.00 0.00 H new ATOM 0 HB2 ASP A 16 29.261 94.804 -53.625 1.00 0.00 H new ATOM 0 HB3 ASP A 16 27.603 95.373 -53.634 1.00 0.00 H new ATOM 247 N ASP A 17 29.632 93.701 -51.435 1.00 0.00 N ATOM 248 CA ASP A 17 29.779 92.338 -50.810 1.00 0.00 C ATOM 249 C ASP A 17 30.829 91.584 -51.641 1.00 0.00 C ATOM 250 O ASP A 17 31.710 90.921 -51.123 1.00 0.00 O ATOM 251 CB ASP A 17 28.437 91.589 -50.850 1.00 0.00 C ATOM 252 CG ASP A 17 28.140 90.980 -49.478 1.00 0.00 C ATOM 253 OD1 ASP A 17 27.611 91.690 -48.636 1.00 0.00 O ATOM 254 OD2 ASP A 17 28.447 89.816 -49.292 1.00 0.00 O ATOM 0 H ASP A 17 30.323 93.897 -52.159 1.00 0.00 H new ATOM 0 HA ASP A 17 30.084 92.416 -49.767 1.00 0.00 H new ATOM 0 HB2 ASP A 17 27.637 92.273 -51.135 1.00 0.00 H new ATOM 0 HB3 ASP A 17 28.471 90.805 -51.606 1.00 0.00 H new ATOM 259 N ASP A 18 30.736 91.743 -52.938 1.00 0.00 N ATOM 260 CA ASP A 18 31.709 91.128 -53.894 1.00 0.00 C ATOM 261 C ASP A 18 31.898 92.092 -55.085 1.00 0.00 C ATOM 262 O ASP A 18 32.989 92.231 -55.603 1.00 0.00 O ATOM 263 CB ASP A 18 31.174 89.768 -54.382 1.00 0.00 C ATOM 264 CG ASP A 18 31.940 89.310 -55.632 1.00 0.00 C ATOM 265 OD1 ASP A 18 33.024 88.771 -55.476 1.00 0.00 O ATOM 266 OD2 ASP A 18 31.430 89.503 -56.725 1.00 0.00 O ATOM 0 H ASP A 18 30.002 92.291 -53.387 1.00 0.00 H new ATOM 0 HA ASP A 18 32.667 90.961 -53.402 1.00 0.00 H new ATOM 0 HB2 ASP A 18 31.277 89.024 -53.592 1.00 0.00 H new ATOM 0 HB3 ASP A 18 30.111 89.848 -54.608 1.00 0.00 H new ATOM 271 N THR A 19 30.839 92.766 -55.503 1.00 0.00 N ATOM 272 CA THR A 19 30.925 93.740 -56.642 1.00 0.00 C ATOM 273 C THR A 19 32.117 94.685 -56.416 1.00 0.00 C ATOM 274 O THR A 19 33.171 94.517 -57.006 1.00 0.00 O ATOM 275 CB THR A 19 29.604 94.533 -56.706 1.00 0.00 C ATOM 276 OG1 THR A 19 28.613 93.739 -57.344 1.00 0.00 O ATOM 277 CG2 THR A 19 29.783 95.834 -57.492 1.00 0.00 C ATOM 0 H THR A 19 29.909 92.677 -55.094 1.00 0.00 H new ATOM 0 HA THR A 19 31.077 93.216 -57.586 1.00 0.00 H new ATOM 0 HB THR A 19 29.299 94.779 -55.689 1.00 0.00 H new ATOM 0 HG1 THR A 19 27.737 94.167 -57.245 1.00 0.00 H new ATOM 0 HG21 THR A 19 28.837 96.374 -57.522 1.00 0.00 H new ATOM 0 HG22 THR A 19 30.538 96.452 -57.006 1.00 0.00 H new ATOM 0 HG23 THR A 19 30.102 95.604 -58.509 1.00 0.00 H new ATOM 285 N PHE A 20 31.958 95.666 -55.557 1.00 0.00 N ATOM 286 CA PHE A 20 33.074 96.617 -55.253 1.00 0.00 C ATOM 287 C PHE A 20 33.372 97.530 -56.442 1.00 0.00 C ATOM 288 O PHE A 20 32.841 97.377 -57.534 1.00 0.00 O ATOM 289 CB PHE A 20 34.374 95.843 -54.950 1.00 0.00 C ATOM 290 CG PHE A 20 34.165 94.728 -53.949 1.00 0.00 C ATOM 291 CD1 PHE A 20 33.028 94.689 -53.133 1.00 0.00 C ATOM 292 CD2 PHE A 20 35.141 93.734 -53.830 1.00 0.00 C ATOM 293 CE1 PHE A 20 32.874 93.655 -52.205 1.00 0.00 C ATOM 294 CE2 PHE A 20 34.984 92.704 -52.900 1.00 0.00 C ATOM 295 CZ PHE A 20 33.852 92.664 -52.088 1.00 0.00 C ATOM 0 H PHE A 20 31.093 95.849 -55.049 1.00 0.00 H new ATOM 0 HA PHE A 20 32.754 97.207 -54.394 1.00 0.00 H new ATOM 0 HB2 PHE A 20 34.769 95.426 -55.876 1.00 0.00 H new ATOM 0 HB3 PHE A 20 35.124 96.535 -54.567 1.00 0.00 H new ATOM 0 HD1 PHE A 20 32.272 95.455 -53.220 1.00 0.00 H new ATOM 0 HD2 PHE A 20 36.019 93.763 -54.459 1.00 0.00 H new ATOM 0 HE1 PHE A 20 31.996 93.622 -51.577 1.00 0.00 H new ATOM 0 HE2 PHE A 20 35.740 91.938 -52.810 1.00 0.00 H new ATOM 0 HZ PHE A 20 33.731 91.867 -51.369 1.00 0.00 H new ATOM 305 N THR A 21 34.285 98.441 -56.227 1.00 0.00 N ATOM 306 CA THR A 21 34.738 99.350 -57.308 1.00 0.00 C ATOM 307 C THR A 21 36.236 99.113 -57.478 1.00 0.00 C ATOM 308 O THR A 21 37.048 99.458 -56.636 1.00 0.00 O ATOM 309 CB THR A 21 34.458 100.812 -56.985 1.00 0.00 C ATOM 310 OG1 THR A 21 33.301 100.921 -56.157 1.00 0.00 O ATOM 311 CG2 THR A 21 34.214 101.516 -58.309 1.00 0.00 C ATOM 0 H THR A 21 34.742 98.592 -55.327 1.00 0.00 H new ATOM 0 HA THR A 21 34.192 99.138 -58.227 1.00 0.00 H new ATOM 0 HB THR A 21 35.296 101.259 -56.450 1.00 0.00 H new ATOM 0 HG1 THR A 21 32.544 101.238 -56.693 1.00 0.00 H new ATOM 0 HG21 THR A 21 34.008 102.571 -58.128 1.00 0.00 H new ATOM 0 HG22 THR A 21 35.098 101.422 -58.939 1.00 0.00 H new ATOM 0 HG23 THR A 21 33.360 101.061 -58.811 1.00 0.00 H new ATOM 319 N VAL A 22 36.569 98.452 -58.535 1.00 0.00 N ATOM 320 CA VAL A 22 37.973 98.055 -58.815 1.00 0.00 C ATOM 321 C VAL A 22 38.744 99.123 -59.602 1.00 0.00 C ATOM 322 O VAL A 22 38.344 99.534 -60.671 1.00 0.00 O ATOM 323 CB VAL A 22 37.910 96.761 -59.633 1.00 0.00 C ATOM 324 CG1 VAL A 22 39.298 96.368 -60.120 1.00 0.00 C ATOM 325 CG2 VAL A 22 37.348 95.639 -58.762 1.00 0.00 C ATOM 0 H VAL A 22 35.903 98.156 -59.248 1.00 0.00 H new ATOM 0 HA VAL A 22 38.504 97.925 -57.872 1.00 0.00 H new ATOM 0 HB VAL A 22 37.266 96.924 -60.497 1.00 0.00 H new ATOM 0 HG11 VAL A 22 39.233 95.447 -60.699 1.00 0.00 H new ATOM 0 HG12 VAL A 22 39.702 97.163 -60.747 1.00 0.00 H new ATOM 0 HG13 VAL A 22 39.954 96.213 -59.263 1.00 0.00 H new ATOM 0 HG21 VAL A 22 37.302 94.717 -59.341 1.00 0.00 H new ATOM 0 HG22 VAL A 22 37.994 95.492 -57.897 1.00 0.00 H new ATOM 0 HG23 VAL A 22 36.346 95.907 -58.426 1.00 0.00 H new ATOM 335 N LYS A 23 39.884 99.505 -59.082 1.00 0.00 N ATOM 336 CA LYS A 23 40.793 100.485 -59.758 1.00 0.00 C ATOM 337 C LYS A 23 41.998 99.674 -60.224 1.00 0.00 C ATOM 338 O LYS A 23 43.075 99.734 -59.640 1.00 0.00 O ATOM 339 CB LYS A 23 41.263 101.525 -58.742 1.00 0.00 C ATOM 340 CG LYS A 23 41.841 102.744 -59.464 1.00 0.00 C ATOM 341 CD LYS A 23 43.108 103.207 -58.737 1.00 0.00 C ATOM 342 CE LYS A 23 44.335 102.931 -59.610 1.00 0.00 C ATOM 343 NZ LYS A 23 44.769 101.515 -59.427 1.00 0.00 N ATOM 0 H LYS A 23 40.234 99.166 -58.186 1.00 0.00 H new ATOM 0 HA LYS A 23 40.295 100.998 -60.581 1.00 0.00 H new ATOM 0 HB2 LYS A 23 40.429 101.829 -58.110 1.00 0.00 H new ATOM 0 HB3 LYS A 23 42.017 101.089 -58.087 1.00 0.00 H new ATOM 0 HG2 LYS A 23 42.073 102.492 -60.499 1.00 0.00 H new ATOM 0 HG3 LYS A 23 41.107 103.549 -59.488 1.00 0.00 H new ATOM 0 HD2 LYS A 23 43.042 104.272 -58.513 1.00 0.00 H new ATOM 0 HD3 LYS A 23 43.203 102.686 -57.784 1.00 0.00 H new ATOM 0 HE2 LYS A 23 44.098 103.117 -60.658 1.00 0.00 H new ATOM 0 HE3 LYS A 23 45.145 103.608 -59.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 45.708 101.382 -59.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 44.815 101.294 -58.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 44.087 100.880 -59.889 1.00 0.00 H new ATOM 357 N VAL A 24 41.816 98.870 -61.226 1.00 0.00 N ATOM 358 CA VAL A 24 42.931 97.987 -61.668 1.00 0.00 C ATOM 359 C VAL A 24 42.953 97.851 -63.191 1.00 0.00 C ATOM 360 O VAL A 24 42.252 98.546 -63.906 1.00 0.00 O ATOM 361 CB VAL A 24 42.740 96.613 -61.018 1.00 0.00 C ATOM 362 CG1 VAL A 24 42.228 96.772 -59.579 1.00 0.00 C ATOM 363 CG2 VAL A 24 41.731 95.797 -61.821 1.00 0.00 C ATOM 0 H VAL A 24 40.950 98.783 -61.758 1.00 0.00 H new ATOM 0 HA VAL A 24 43.883 98.422 -61.363 1.00 0.00 H new ATOM 0 HB VAL A 24 43.701 96.099 -61.003 1.00 0.00 H new ATOM 0 HG11 VAL A 24 42.097 95.788 -59.129 1.00 0.00 H new ATOM 0 HG12 VAL A 24 42.951 97.344 -58.997 1.00 0.00 H new ATOM 0 HG13 VAL A 24 41.273 97.297 -59.589 1.00 0.00 H new ATOM 0 HG21 VAL A 24 41.599 94.821 -61.354 1.00 0.00 H new ATOM 0 HG22 VAL A 24 40.775 96.321 -61.844 1.00 0.00 H new ATOM 0 HG23 VAL A 24 42.097 95.666 -62.839 1.00 0.00 H new ATOM 373 N GLY A 25 43.765 96.955 -63.688 1.00 0.00 N ATOM 374 CA GLY A 25 43.856 96.760 -65.173 1.00 0.00 C ATOM 375 C GLY A 25 44.307 98.065 -65.796 1.00 0.00 C ATOM 376 O GLY A 25 45.478 98.412 -65.763 1.00 0.00 O ATOM 0 H GLY A 25 44.370 96.349 -63.134 1.00 0.00 H new ATOM 0 HA2 GLY A 25 44.561 95.963 -65.409 1.00 0.00 H new ATOM 0 HA3 GLY A 25 42.889 96.460 -65.577 1.00 0.00 H new ATOM 380 N ASP A 26 43.385 98.795 -66.339 1.00 0.00 N ATOM 381 CA ASP A 26 43.728 100.103 -66.943 1.00 0.00 C ATOM 382 C ASP A 26 42.648 101.132 -66.586 1.00 0.00 C ATOM 383 O ASP A 26 42.605 102.211 -67.160 1.00 0.00 O ATOM 384 CB ASP A 26 43.804 99.958 -68.469 1.00 0.00 C ATOM 385 CG ASP A 26 44.742 98.804 -68.843 1.00 0.00 C ATOM 386 OD1 ASP A 26 45.931 99.045 -68.962 1.00 0.00 O ATOM 387 OD2 ASP A 26 44.254 97.693 -69.003 1.00 0.00 O ATOM 0 H ASP A 26 42.399 98.540 -66.391 1.00 0.00 H new ATOM 0 HA ASP A 26 44.692 100.437 -66.558 1.00 0.00 H new ATOM 0 HB2 ASP A 26 42.809 99.774 -68.875 1.00 0.00 H new ATOM 0 HB3 ASP A 26 44.163 100.887 -68.913 1.00 0.00 H new ATOM 392 N LYS A 27 41.765 100.803 -65.662 1.00 0.00 N ATOM 393 CA LYS A 27 40.666 101.747 -65.291 1.00 0.00 C ATOM 394 C LYS A 27 40.161 101.480 -63.857 1.00 0.00 C ATOM 395 O LYS A 27 40.648 100.607 -63.145 1.00 0.00 O ATOM 396 CB LYS A 27 39.493 101.550 -66.272 1.00 0.00 C ATOM 397 CG LYS A 27 39.909 101.951 -67.693 1.00 0.00 C ATOM 398 CD LYS A 27 40.127 103.465 -67.749 1.00 0.00 C ATOM 399 CE LYS A 27 40.763 103.847 -69.087 1.00 0.00 C ATOM 400 NZ LYS A 27 42.251 103.787 -68.958 1.00 0.00 N ATOM 0 H LYS A 27 41.764 99.920 -65.152 1.00 0.00 H new ATOM 0 HA LYS A 27 41.052 102.765 -65.340 1.00 0.00 H new ATOM 0 HB2 LYS A 27 39.173 100.508 -66.261 1.00 0.00 H new ATOM 0 HB3 LYS A 27 38.640 102.149 -65.953 1.00 0.00 H new ATOM 0 HG2 LYS A 27 40.823 101.430 -67.977 1.00 0.00 H new ATOM 0 HG3 LYS A 27 39.139 101.656 -68.406 1.00 0.00 H new ATOM 0 HD2 LYS A 27 39.176 103.983 -67.627 1.00 0.00 H new ATOM 0 HD3 LYS A 27 40.770 103.780 -66.927 1.00 0.00 H new ATOM 0 HE2 LYS A 27 40.426 103.168 -69.871 1.00 0.00 H new ATOM 0 HE3 LYS A 27 40.451 104.850 -69.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 42.671 103.572 -69.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 42.607 104.704 -68.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 42.511 103.043 -68.279 1.00 0.00 H new ATOM 414 N GLU A 28 39.165 102.230 -63.448 1.00 0.00 N ATOM 415 CA GLU A 28 38.574 102.057 -62.091 1.00 0.00 C ATOM 416 C GLU A 28 37.052 102.187 -62.199 1.00 0.00 C ATOM 417 O GLU A 28 36.552 103.152 -62.756 1.00 0.00 O ATOM 418 CB GLU A 28 39.114 103.140 -61.155 1.00 0.00 C ATOM 419 CG GLU A 28 38.476 102.983 -59.762 1.00 0.00 C ATOM 420 CD GLU A 28 38.838 104.181 -58.878 1.00 0.00 C ATOM 421 OE1 GLU A 28 38.562 105.298 -59.285 1.00 0.00 O ATOM 422 OE2 GLU A 28 39.381 103.959 -57.808 1.00 0.00 O ATOM 0 H GLU A 28 38.733 102.964 -64.009 1.00 0.00 H new ATOM 0 HA GLU A 28 38.837 101.077 -61.693 1.00 0.00 H new ATOM 0 HB2 GLU A 28 40.199 103.063 -61.080 1.00 0.00 H new ATOM 0 HB3 GLU A 28 38.892 104.128 -61.559 1.00 0.00 H new ATOM 0 HG2 GLU A 28 37.393 102.905 -59.856 1.00 0.00 H new ATOM 0 HG3 GLU A 28 38.823 102.060 -59.297 1.00 0.00 H new ATOM 429 N LEU A 29 36.304 101.231 -61.686 1.00 0.00 N ATOM 430 CA LEU A 29 34.810 101.332 -61.785 1.00 0.00 C ATOM 431 C LEU A 29 34.108 100.189 -61.017 1.00 0.00 C ATOM 432 O LEU A 29 34.734 99.245 -60.560 1.00 0.00 O ATOM 433 CB LEU A 29 34.418 101.340 -63.280 1.00 0.00 C ATOM 434 CG LEU A 29 34.028 99.947 -63.795 1.00 0.00 C ATOM 435 CD1 LEU A 29 33.796 100.033 -65.302 1.00 0.00 C ATOM 436 CD2 LEU A 29 35.147 98.939 -63.541 1.00 0.00 C ATOM 0 H LEU A 29 36.657 100.400 -61.212 1.00 0.00 H new ATOM 0 HA LEU A 29 34.477 102.259 -61.317 1.00 0.00 H new ATOM 0 HB2 LEU A 29 33.584 102.025 -63.429 1.00 0.00 H new ATOM 0 HB3 LEU A 29 35.253 101.721 -63.869 1.00 0.00 H new ATOM 0 HG LEU A 29 33.129 99.620 -63.273 1.00 0.00 H new ATOM 0 HD11 LEU A 29 33.518 99.051 -65.684 1.00 0.00 H new ATOM 0 HD12 LEU A 29 32.994 100.742 -65.507 1.00 0.00 H new ATOM 0 HD13 LEU A 29 34.710 100.367 -65.792 1.00 0.00 H new ATOM 0 HD21 LEU A 29 34.847 97.960 -63.915 1.00 0.00 H new ATOM 0 HD22 LEU A 29 36.052 99.262 -64.056 1.00 0.00 H new ATOM 0 HD23 LEU A 29 35.342 98.874 -62.471 1.00 0.00 H new ATOM 448 N PHE A 30 32.803 100.291 -60.867 1.00 0.00 N ATOM 449 CA PHE A 30 32.017 99.248 -60.139 1.00 0.00 C ATOM 450 C PHE A 30 31.999 97.973 -60.975 1.00 0.00 C ATOM 451 O PHE A 30 32.185 98.002 -62.180 1.00 0.00 O ATOM 452 CB PHE A 30 30.581 99.741 -59.912 1.00 0.00 C ATOM 453 CG PHE A 30 30.433 100.273 -58.502 1.00 0.00 C ATOM 454 CD1 PHE A 30 30.212 99.389 -57.438 1.00 0.00 C ATOM 455 CD2 PHE A 30 30.509 101.650 -58.259 1.00 0.00 C ATOM 456 CE1 PHE A 30 30.069 99.881 -56.133 1.00 0.00 C ATOM 457 CE2 PHE A 30 30.366 102.142 -56.955 1.00 0.00 C ATOM 458 CZ PHE A 30 30.146 101.257 -55.891 1.00 0.00 C ATOM 0 H PHE A 30 32.246 101.067 -61.226 1.00 0.00 H new ATOM 0 HA PHE A 30 32.477 99.049 -59.171 1.00 0.00 H new ATOM 0 HB2 PHE A 30 30.338 100.523 -60.632 1.00 0.00 H new ATOM 0 HB3 PHE A 30 29.877 98.925 -60.078 1.00 0.00 H new ATOM 0 HD1 PHE A 30 30.152 98.327 -57.623 1.00 0.00 H new ATOM 0 HD2 PHE A 30 30.678 102.334 -59.078 1.00 0.00 H new ATOM 0 HE1 PHE A 30 29.899 99.198 -55.314 1.00 0.00 H new ATOM 0 HE2 PHE A 30 30.425 103.204 -56.770 1.00 0.00 H new ATOM 0 HZ PHE A 30 30.036 101.636 -54.886 1.00 0.00 H new ATOM 468 N THR A 31 31.833 96.851 -60.339 1.00 0.00 N ATOM 469 CA THR A 31 31.877 95.553 -61.101 1.00 0.00 C ATOM 470 C THR A 31 30.944 94.512 -60.468 1.00 0.00 C ATOM 471 O THR A 31 31.093 94.170 -59.317 1.00 0.00 O ATOM 472 CB THR A 31 33.341 95.067 -61.069 1.00 0.00 C ATOM 473 OG1 THR A 31 33.408 93.664 -60.830 1.00 0.00 O ATOM 474 CG2 THR A 31 34.083 95.822 -59.956 1.00 0.00 C ATOM 0 H THR A 31 31.670 96.765 -59.336 1.00 0.00 H new ATOM 0 HA THR A 31 31.537 95.696 -62.127 1.00 0.00 H new ATOM 0 HB THR A 31 33.805 95.265 -62.035 1.00 0.00 H new ATOM 0 HG1 THR A 31 33.914 93.496 -60.007 1.00 0.00 H new ATOM 0 HG21 THR A 31 35.120 95.490 -59.920 1.00 0.00 H new ATOM 0 HG22 THR A 31 34.052 96.892 -60.159 1.00 0.00 H new ATOM 0 HG23 THR A 31 33.604 95.620 -58.998 1.00 0.00 H new ATOM 482 N ASN A 32 29.993 94.000 -61.217 1.00 0.00 N ATOM 483 CA ASN A 32 29.058 92.976 -60.646 1.00 0.00 C ATOM 484 C ASN A 32 28.775 91.853 -61.663 1.00 0.00 C ATOM 485 O ASN A 32 28.563 92.093 -62.838 1.00 0.00 O ATOM 486 CB ASN A 32 27.737 93.649 -60.237 1.00 0.00 C ATOM 487 CG ASN A 32 27.233 94.570 -61.353 1.00 0.00 C ATOM 488 OD1 ASN A 32 26.462 94.160 -62.193 1.00 0.00 O ATOM 489 ND2 ASN A 32 27.630 95.809 -61.395 1.00 0.00 N ATOM 0 H ASN A 32 29.825 94.245 -62.193 1.00 0.00 H new ATOM 0 HA ASN A 32 29.532 92.533 -59.770 1.00 0.00 H new ATOM 0 HB2 ASN A 32 26.987 92.888 -60.019 1.00 0.00 H new ATOM 0 HB3 ASN A 32 27.883 94.223 -59.322 1.00 0.00 H new ATOM 0 HD21 ASN A 32 27.292 96.428 -62.132 1.00 0.00 H new ATOM 0 HD22 ASN A 32 28.279 96.161 -60.691 1.00 0.00 H new ATOM 496 N ARG A 33 28.756 90.626 -61.193 1.00 0.00 N ATOM 497 CA ARG A 33 28.468 89.452 -62.082 1.00 0.00 C ATOM 498 C ARG A 33 28.065 88.252 -61.215 1.00 0.00 C ATOM 499 O ARG A 33 27.011 87.675 -61.404 1.00 0.00 O ATOM 500 CB ARG A 33 29.710 89.086 -62.911 1.00 0.00 C ATOM 501 CG ARG A 33 29.306 88.187 -64.096 1.00 0.00 C ATOM 502 CD ARG A 33 29.005 86.762 -63.606 1.00 0.00 C ATOM 503 NE ARG A 33 29.189 85.788 -64.731 1.00 0.00 N ATOM 504 CZ ARG A 33 28.913 84.519 -64.578 1.00 0.00 C ATOM 505 NH1 ARG A 33 28.341 84.080 -63.499 1.00 0.00 N ATOM 506 NH2 ARG A 33 29.198 83.685 -65.529 1.00 0.00 N ATOM 0 H ARG A 33 28.930 90.385 -60.217 1.00 0.00 H new ATOM 0 HA ARG A 33 27.657 89.714 -62.762 1.00 0.00 H new ATOM 0 HB2 ARG A 33 30.192 89.992 -63.279 1.00 0.00 H new ATOM 0 HB3 ARG A 33 30.437 88.570 -62.284 1.00 0.00 H new ATOM 0 HG2 ARG A 33 28.429 88.601 -64.593 1.00 0.00 H new ATOM 0 HG3 ARG A 33 30.108 88.163 -64.833 1.00 0.00 H new ATOM 0 HD2 ARG A 33 29.666 86.505 -62.779 1.00 0.00 H new ATOM 0 HD3 ARG A 33 27.984 86.706 -63.228 1.00 0.00 H new ATOM 0 HE ARG A 33 29.535 86.121 -65.631 1.00 0.00 H new ATOM 0 HH11 ARG A 33 28.098 84.729 -62.750 1.00 0.00 H new ATOM 0 HH12 ARG A 33 28.134 83.086 -63.400 1.00 0.00 H new ATOM 0 HH21 ARG A 33 29.634 84.021 -66.388 1.00 0.00 H new ATOM 0 HH22 ARG A 33 28.986 82.693 -65.418 1.00 0.00 H new ATOM 520 N TRP A 34 28.901 87.879 -60.263 1.00 0.00 N ATOM 521 CA TRP A 34 28.572 86.714 -59.371 1.00 0.00 C ATOM 522 C TRP A 34 29.711 86.430 -58.358 1.00 0.00 C ATOM 523 O TRP A 34 29.464 85.904 -57.287 1.00 0.00 O ATOM 524 CB TRP A 34 28.272 85.474 -60.245 1.00 0.00 C ATOM 525 CG TRP A 34 29.466 84.571 -60.406 1.00 0.00 C ATOM 526 CD1 TRP A 34 29.480 83.268 -60.055 1.00 0.00 C ATOM 527 CD2 TRP A 34 30.789 84.853 -60.968 1.00 0.00 C ATOM 528 NE1 TRP A 34 30.718 82.735 -60.352 1.00 0.00 N ATOM 529 CE2 TRP A 34 31.560 83.669 -60.912 1.00 0.00 C ATOM 530 CE3 TRP A 34 31.392 86.004 -61.507 1.00 0.00 C ATOM 531 CZ2 TRP A 34 32.874 83.626 -61.374 1.00 0.00 C ATOM 532 CZ3 TRP A 34 32.715 85.966 -61.972 1.00 0.00 C ATOM 533 CH2 TRP A 34 33.455 84.779 -61.906 1.00 0.00 C ATOM 0 H TRP A 34 29.794 88.332 -60.068 1.00 0.00 H new ATOM 0 HA TRP A 34 27.688 86.959 -58.783 1.00 0.00 H new ATOM 0 HB2 TRP A 34 27.453 84.910 -59.798 1.00 0.00 H new ATOM 0 HB3 TRP A 34 27.934 85.801 -61.228 1.00 0.00 H new ATOM 0 HD1 TRP A 34 28.655 82.729 -59.613 1.00 0.00 H new ATOM 0 HE1 TRP A 34 30.978 81.764 -60.177 1.00 0.00 H new ATOM 0 HE3 TRP A 34 30.831 86.925 -61.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 33.439 82.707 -61.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 33.165 86.857 -62.383 1.00 0.00 H new ATOM 0 HH2 TRP A 34 34.473 84.755 -62.266 1.00 0.00 H new ATOM 544 N ASN A 35 30.940 86.779 -58.680 1.00 0.00 N ATOM 545 CA ASN A 35 32.086 86.540 -57.743 1.00 0.00 C ATOM 546 C ASN A 35 33.391 87.038 -58.393 1.00 0.00 C ATOM 547 O ASN A 35 34.260 86.262 -58.755 1.00 0.00 O ATOM 548 CB ASN A 35 32.204 85.043 -57.426 1.00 0.00 C ATOM 549 CG ASN A 35 32.964 84.863 -56.109 1.00 0.00 C ATOM 550 OD1 ASN A 35 34.176 84.789 -56.093 1.00 0.00 O ATOM 551 ND2 ASN A 35 32.299 84.796 -54.994 1.00 0.00 N ATOM 0 H ASN A 35 31.197 87.223 -59.561 1.00 0.00 H new ATOM 0 HA ASN A 35 31.910 87.084 -56.815 1.00 0.00 H new ATOM 0 HB2 ASN A 35 31.213 84.596 -57.351 1.00 0.00 H new ATOM 0 HB3 ASN A 35 32.725 84.529 -58.233 1.00 0.00 H new ATOM 0 HD21 ASN A 35 32.795 84.682 -54.110 1.00 0.00 H new ATOM 0 HD22 ASN A 35 31.281 84.858 -55.003 1.00 0.00 H new ATOM 558 N LEU A 36 33.533 88.333 -58.542 1.00 0.00 N ATOM 559 CA LEU A 36 34.777 88.894 -59.164 1.00 0.00 C ATOM 560 C LEU A 36 35.924 88.917 -58.134 1.00 0.00 C ATOM 561 O LEU A 36 37.087 88.988 -58.499 1.00 0.00 O ATOM 562 CB LEU A 36 34.497 90.312 -59.681 1.00 0.00 C ATOM 563 CG LEU A 36 34.313 90.270 -61.203 1.00 0.00 C ATOM 564 CD1 LEU A 36 32.877 90.657 -61.560 1.00 0.00 C ATOM 565 CD2 LEU A 36 35.275 91.256 -61.867 1.00 0.00 C ATOM 0 H LEU A 36 32.841 89.028 -58.260 1.00 0.00 H new ATOM 0 HA LEU A 36 35.077 88.262 -60.000 1.00 0.00 H new ATOM 0 HB2 LEU A 36 33.602 90.714 -59.206 1.00 0.00 H new ATOM 0 HB3 LEU A 36 35.322 90.976 -59.421 1.00 0.00 H new ATOM 0 HG LEU A 36 34.520 89.260 -61.557 1.00 0.00 H new ATOM 0 HD11 LEU A 36 32.750 90.626 -62.642 1.00 0.00 H new ATOM 0 HD12 LEU A 36 32.185 89.956 -61.093 1.00 0.00 H new ATOM 0 HD13 LEU A 36 32.671 91.665 -61.199 1.00 0.00 H new ATOM 0 HD21 LEU A 36 35.141 91.223 -62.948 1.00 0.00 H new ATOM 0 HD22 LEU A 36 35.069 92.264 -61.506 1.00 0.00 H new ATOM 0 HD23 LEU A 36 36.302 90.985 -61.620 1.00 0.00 H new ATOM 577 N GLN A 37 35.605 88.845 -56.855 1.00 0.00 N ATOM 578 CA GLN A 37 36.666 88.845 -55.795 1.00 0.00 C ATOM 579 C GLN A 37 37.698 87.757 -56.101 1.00 0.00 C ATOM 580 O GLN A 37 38.893 88.001 -56.104 1.00 0.00 O ATOM 581 CB GLN A 37 36.023 88.541 -54.439 1.00 0.00 C ATOM 582 CG GLN A 37 35.676 89.844 -53.725 1.00 0.00 C ATOM 583 CD GLN A 37 35.393 89.551 -52.252 1.00 0.00 C ATOM 584 OE1 GLN A 37 36.292 89.559 -51.440 1.00 0.00 O ATOM 585 NE2 GLN A 37 34.177 89.292 -51.868 1.00 0.00 N ATOM 0 H GLN A 37 34.649 88.786 -56.503 1.00 0.00 H new ATOM 0 HA GLN A 37 37.152 89.820 -55.772 1.00 0.00 H new ATOM 0 HB2 GLN A 37 35.123 87.942 -54.580 1.00 0.00 H new ATOM 0 HB3 GLN A 37 36.706 87.951 -53.827 1.00 0.00 H new ATOM 0 HG2 GLN A 37 36.499 90.552 -53.815 1.00 0.00 H new ATOM 0 HG3 GLN A 37 34.805 90.306 -54.190 1.00 0.00 H new ATOM 0 HE21 GLN A 37 33.418 89.284 -52.549 1.00 0.00 H new ATOM 0 HE22 GLN A 37 33.983 89.097 -50.886 1.00 0.00 H new ATOM 594 N SER A 38 37.230 86.556 -56.360 1.00 0.00 N ATOM 595 CA SER A 38 38.148 85.416 -56.673 1.00 0.00 C ATOM 596 C SER A 38 39.080 85.793 -57.834 1.00 0.00 C ATOM 597 O SER A 38 40.248 85.438 -57.840 1.00 0.00 O ATOM 598 CB SER A 38 37.311 84.195 -57.065 1.00 0.00 C ATOM 599 OG SER A 38 38.110 83.023 -56.961 1.00 0.00 O ATOM 0 H SER A 38 36.238 86.317 -56.367 1.00 0.00 H new ATOM 0 HA SER A 38 38.753 85.187 -55.795 1.00 0.00 H new ATOM 0 HB2 SER A 38 36.440 84.114 -56.415 1.00 0.00 H new ATOM 0 HB3 SER A 38 36.940 84.306 -58.084 1.00 0.00 H new ATOM 0 HG SER A 38 37.576 82.240 -57.210 1.00 0.00 H new ATOM 605 N LEU A 39 38.574 86.512 -58.811 1.00 0.00 N ATOM 606 CA LEU A 39 39.417 86.925 -59.978 1.00 0.00 C ATOM 607 C LEU A 39 40.424 87.987 -59.532 1.00 0.00 C ATOM 608 O LEU A 39 41.593 87.904 -59.852 1.00 0.00 O ATOM 609 CB LEU A 39 38.521 87.494 -61.086 1.00 0.00 C ATOM 610 CG LEU A 39 37.938 86.348 -61.917 1.00 0.00 C ATOM 611 CD1 LEU A 39 36.930 85.563 -61.079 1.00 0.00 C ATOM 612 CD2 LEU A 39 37.231 86.920 -63.146 1.00 0.00 C ATOM 0 H LEU A 39 37.606 86.832 -58.848 1.00 0.00 H new ATOM 0 HA LEU A 39 39.954 86.057 -60.361 1.00 0.00 H new ATOM 0 HB2 LEU A 39 37.716 88.085 -60.649 1.00 0.00 H new ATOM 0 HB3 LEU A 39 39.097 88.163 -61.725 1.00 0.00 H new ATOM 0 HG LEU A 39 38.745 85.685 -62.230 1.00 0.00 H new ATOM 0 HD11 LEU A 39 36.518 84.748 -61.675 1.00 0.00 H new ATOM 0 HD12 LEU A 39 37.428 85.154 -60.200 1.00 0.00 H new ATOM 0 HD13 LEU A 39 36.124 86.226 -60.764 1.00 0.00 H new ATOM 0 HD21 LEU A 39 36.815 86.105 -63.739 1.00 0.00 H new ATOM 0 HD22 LEU A 39 36.427 87.584 -62.827 1.00 0.00 H new ATOM 0 HD23 LEU A 39 37.946 87.480 -63.749 1.00 0.00 H new ATOM 624 N LEU A 40 39.988 88.974 -58.784 1.00 0.00 N ATOM 625 CA LEU A 40 40.937 90.033 -58.308 1.00 0.00 C ATOM 626 C LEU A 40 41.995 89.392 -57.399 1.00 0.00 C ATOM 627 O LEU A 40 43.163 89.736 -57.449 1.00 0.00 O ATOM 628 CB LEU A 40 40.167 91.094 -57.520 1.00 0.00 C ATOM 629 CG LEU A 40 39.228 91.851 -58.459 1.00 0.00 C ATOM 630 CD1 LEU A 40 38.106 92.491 -57.644 1.00 0.00 C ATOM 631 CD2 LEU A 40 40.013 92.943 -59.189 1.00 0.00 C ATOM 0 H LEU A 40 39.020 89.092 -58.483 1.00 0.00 H new ATOM 0 HA LEU A 40 41.422 90.500 -59.165 1.00 0.00 H new ATOM 0 HB2 LEU A 40 39.596 90.623 -56.720 1.00 0.00 H new ATOM 0 HB3 LEU A 40 40.863 91.788 -57.049 1.00 0.00 H new ATOM 0 HG LEU A 40 38.802 91.160 -59.186 1.00 0.00 H new ATOM 0 HD11 LEU A 40 37.435 93.032 -58.311 1.00 0.00 H new ATOM 0 HD12 LEU A 40 37.549 91.715 -57.120 1.00 0.00 H new ATOM 0 HD13 LEU A 40 38.533 93.184 -56.919 1.00 0.00 H new ATOM 0 HD21 LEU A 40 39.346 93.484 -59.859 1.00 0.00 H new ATOM 0 HD22 LEU A 40 40.436 93.635 -58.461 1.00 0.00 H new ATOM 0 HD23 LEU A 40 40.817 92.488 -59.767 1.00 0.00 H new ATOM 643 N LEU A 41 41.578 88.461 -56.571 1.00 0.00 N ATOM 644 CA LEU A 41 42.524 87.771 -55.642 1.00 0.00 C ATOM 645 C LEU A 41 43.454 86.843 -56.435 1.00 0.00 C ATOM 646 O LEU A 41 44.646 87.071 -56.504 1.00 0.00 O ATOM 647 CB LEU A 41 41.718 86.949 -54.628 1.00 0.00 C ATOM 648 CG LEU A 41 41.612 87.712 -53.307 1.00 0.00 C ATOM 649 CD1 LEU A 41 41.054 89.113 -53.561 1.00 0.00 C ATOM 650 CD2 LEU A 41 40.673 86.958 -52.367 1.00 0.00 C ATOM 0 H LEU A 41 40.610 88.148 -56.501 1.00 0.00 H new ATOM 0 HA LEU A 41 43.128 88.513 -55.120 1.00 0.00 H new ATOM 0 HB2 LEU A 41 40.722 86.745 -55.021 1.00 0.00 H new ATOM 0 HB3 LEU A 41 42.199 85.985 -54.464 1.00 0.00 H new ATOM 0 HG LEU A 41 42.601 87.795 -52.856 1.00 0.00 H new ATOM 0 HD11 LEU A 41 40.981 89.652 -52.617 1.00 0.00 H new ATOM 0 HD12 LEU A 41 41.718 89.652 -54.236 1.00 0.00 H new ATOM 0 HD13 LEU A 41 40.065 89.034 -54.012 1.00 0.00 H new ATOM 0 HD21 LEU A 41 40.593 87.497 -51.423 1.00 0.00 H new ATOM 0 HD22 LEU A 41 39.687 86.879 -52.824 1.00 0.00 H new ATOM 0 HD23 LEU A 41 41.068 85.959 -52.182 1.00 0.00 H new ATOM 662 N SER A 42 42.913 85.806 -57.038 1.00 0.00 N ATOM 663 CA SER A 42 43.756 84.850 -57.840 1.00 0.00 C ATOM 664 C SER A 42 44.707 85.624 -58.762 1.00 0.00 C ATOM 665 O SER A 42 45.841 85.221 -58.974 1.00 0.00 O ATOM 666 CB SER A 42 42.851 83.949 -58.686 1.00 0.00 C ATOM 667 OG SER A 42 41.925 84.750 -59.411 1.00 0.00 O ATOM 0 H SER A 42 41.919 85.578 -57.010 1.00 0.00 H new ATOM 0 HA SER A 42 44.343 84.240 -57.153 1.00 0.00 H new ATOM 0 HB2 SER A 42 43.452 83.356 -59.375 1.00 0.00 H new ATOM 0 HB3 SER A 42 42.317 83.248 -58.045 1.00 0.00 H new ATOM 0 HG SER A 42 41.071 84.778 -58.931 1.00 0.00 H new ATOM 673 N ALA A 43 44.257 86.731 -59.307 1.00 0.00 N ATOM 674 CA ALA A 43 45.128 87.543 -60.208 1.00 0.00 C ATOM 675 C ALA A 43 46.366 88.017 -59.443 1.00 0.00 C ATOM 676 O ALA A 43 47.454 87.584 -59.714 1.00 0.00 O ATOM 677 CB ALA A 43 44.350 88.765 -60.714 1.00 0.00 C ATOM 0 H ALA A 43 43.319 87.106 -59.164 1.00 0.00 H new ATOM 0 HA ALA A 43 45.436 86.928 -61.054 1.00 0.00 H new ATOM 0 HB1 ALA A 43 44.988 89.356 -61.371 1.00 0.00 H new ATOM 0 HB2 ALA A 43 43.470 88.433 -61.265 1.00 0.00 H new ATOM 0 HB3 ALA A 43 44.039 89.375 -59.866 1.00 0.00 H new ATOM 683 N GLN A 44 46.197 88.899 -58.492 1.00 0.00 N ATOM 684 CA GLN A 44 47.351 89.424 -57.699 1.00 0.00 C ATOM 685 C GLN A 44 48.089 88.276 -57.013 1.00 0.00 C ATOM 686 O GLN A 44 49.299 88.298 -56.889 1.00 0.00 O ATOM 687 CB GLN A 44 46.832 90.409 -56.642 1.00 0.00 C ATOM 688 CG GLN A 44 47.403 91.807 -56.909 1.00 0.00 C ATOM 689 CD GLN A 44 48.712 91.989 -56.137 1.00 0.00 C ATOM 690 OE1 GLN A 44 48.810 92.846 -55.284 1.00 0.00 O ATOM 691 NE2 GLN A 44 49.730 91.220 -56.401 1.00 0.00 N ATOM 0 H GLN A 44 45.291 89.285 -58.226 1.00 0.00 H new ATOM 0 HA GLN A 44 48.043 89.933 -58.370 1.00 0.00 H new ATOM 0 HB2 GLN A 44 45.743 90.441 -56.665 1.00 0.00 H new ATOM 0 HB3 GLN A 44 47.120 90.073 -55.646 1.00 0.00 H new ATOM 0 HG2 GLN A 44 47.578 91.940 -57.977 1.00 0.00 H new ATOM 0 HG3 GLN A 44 46.683 92.568 -56.607 1.00 0.00 H new ATOM 0 HE21 GLN A 44 49.652 90.498 -57.117 1.00 0.00 H new ATOM 0 HE22 GLN A 44 50.605 91.340 -55.891 1.00 0.00 H new ATOM 700 N ILE A 45 47.373 87.275 -56.571 1.00 0.00 N ATOM 701 CA ILE A 45 48.033 86.122 -55.896 1.00 0.00 C ATOM 702 C ILE A 45 48.991 85.442 -56.877 1.00 0.00 C ATOM 703 O ILE A 45 50.162 85.263 -56.598 1.00 0.00 O ATOM 704 CB ILE A 45 46.977 85.112 -55.455 1.00 0.00 C ATOM 705 CG1 ILE A 45 46.119 85.716 -54.338 1.00 0.00 C ATOM 706 CG2 ILE A 45 47.664 83.843 -54.937 1.00 0.00 C ATOM 707 CD1 ILE A 45 45.013 84.733 -53.945 1.00 0.00 C ATOM 0 H ILE A 45 46.358 87.208 -56.649 1.00 0.00 H new ATOM 0 HA ILE A 45 48.583 86.481 -55.026 1.00 0.00 H new ATOM 0 HB ILE A 45 46.343 84.863 -56.306 1.00 0.00 H new ATOM 0 HG12 ILE A 45 46.741 85.944 -53.472 1.00 0.00 H new ATOM 0 HG13 ILE A 45 45.681 86.657 -54.672 1.00 0.00 H new ATOM 0 HG21 ILE A 45 46.909 83.123 -54.622 1.00 0.00 H new ATOM 0 HG22 ILE A 45 48.272 83.408 -55.731 1.00 0.00 H new ATOM 0 HG23 ILE A 45 48.301 84.094 -54.089 1.00 0.00 H new ATOM 0 HD11 ILE A 45 44.406 85.167 -53.151 1.00 0.00 H new ATOM 0 HD12 ILE A 45 44.384 84.528 -54.811 1.00 0.00 H new ATOM 0 HD13 ILE A 45 45.461 83.804 -53.593 1.00 0.00 H new ATOM 719 N THR A 46 48.480 85.063 -58.025 1.00 0.00 N ATOM 720 CA THR A 46 49.322 84.389 -59.064 1.00 0.00 C ATOM 721 C THR A 46 50.160 85.439 -59.797 1.00 0.00 C ATOM 722 O THR A 46 51.306 85.209 -60.136 1.00 0.00 O ATOM 723 CB THR A 46 48.416 83.660 -60.072 1.00 0.00 C ATOM 724 OG1 THR A 46 47.526 84.582 -60.693 1.00 0.00 O ATOM 725 CG2 THR A 46 47.607 82.581 -59.350 1.00 0.00 C ATOM 0 H THR A 46 47.503 85.194 -58.289 1.00 0.00 H new ATOM 0 HA THR A 46 49.981 83.666 -58.583 1.00 0.00 H new ATOM 0 HB THR A 46 49.042 83.200 -60.837 1.00 0.00 H new ATOM 0 HG1 THR A 46 46.654 84.547 -60.246 1.00 0.00 H new ATOM 0 HG21 THR A 46 46.966 82.066 -60.066 1.00 0.00 H new ATOM 0 HG22 THR A 46 48.286 81.864 -58.890 1.00 0.00 H new ATOM 0 HG23 THR A 46 46.991 83.043 -58.579 1.00 0.00 H new ATOM 733 N GLY A 47 49.586 86.589 -60.033 1.00 0.00 N ATOM 734 CA GLY A 47 50.310 87.687 -60.736 1.00 0.00 C ATOM 735 C GLY A 47 49.646 89.014 -60.396 1.00 0.00 C ATOM 736 O GLY A 47 49.922 89.592 -59.367 1.00 0.00 O ATOM 0 H GLY A 47 48.629 86.817 -59.763 1.00 0.00 H new ATOM 0 HA2 GLY A 47 51.357 87.701 -60.434 1.00 0.00 H new ATOM 0 HA3 GLY A 47 50.291 87.521 -61.813 1.00 0.00 H new ATOM 740 N MET A 48 48.748 89.463 -61.252 1.00 0.00 N ATOM 741 CA MET A 48 47.981 90.745 -61.033 1.00 0.00 C ATOM 742 C MET A 48 47.789 91.489 -62.363 1.00 0.00 C ATOM 743 O MET A 48 48.219 92.614 -62.519 1.00 0.00 O ATOM 744 CB MET A 48 48.678 91.690 -60.031 1.00 0.00 C ATOM 745 CG MET A 48 50.061 92.111 -60.548 1.00 0.00 C ATOM 746 SD MET A 48 51.069 92.686 -59.157 1.00 0.00 S ATOM 747 CE MET A 48 50.192 94.243 -58.870 1.00 0.00 C ATOM 0 H MET A 48 48.508 88.981 -62.118 1.00 0.00 H new ATOM 0 HA MET A 48 47.016 90.459 -60.615 1.00 0.00 H new ATOM 0 HB2 MET A 48 48.061 92.574 -59.869 1.00 0.00 H new ATOM 0 HB3 MET A 48 48.782 91.192 -59.067 1.00 0.00 H new ATOM 0 HG2 MET A 48 50.548 91.271 -61.043 1.00 0.00 H new ATOM 0 HG3 MET A 48 49.959 92.903 -61.290 1.00 0.00 H new ATOM 0 HE1 MET A 48 50.764 94.860 -58.177 1.00 0.00 H new ATOM 0 HE2 MET A 48 50.073 94.773 -59.815 1.00 0.00 H new ATOM 0 HE3 MET A 48 49.210 94.035 -58.445 1.00 0.00 H new ATOM 757 N THR A 49 47.132 90.884 -63.321 1.00 0.00 N ATOM 758 CA THR A 49 46.898 91.588 -64.624 1.00 0.00 C ATOM 759 C THR A 49 46.047 90.706 -65.542 1.00 0.00 C ATOM 760 O THR A 49 46.493 90.223 -66.572 1.00 0.00 O ATOM 761 CB THR A 49 48.241 91.967 -65.281 1.00 0.00 C ATOM 762 OG1 THR A 49 48.007 92.450 -66.599 1.00 0.00 O ATOM 763 CG2 THR A 49 49.174 90.756 -65.338 1.00 0.00 C ATOM 0 H THR A 49 46.749 89.940 -63.261 1.00 0.00 H new ATOM 0 HA THR A 49 46.353 92.514 -64.443 1.00 0.00 H new ATOM 0 HB THR A 49 48.715 92.745 -64.682 1.00 0.00 H new ATOM 0 HG1 THR A 49 47.628 91.732 -67.148 1.00 0.00 H new ATOM 0 HG21 THR A 49 50.116 91.044 -65.805 1.00 0.00 H new ATOM 0 HG22 THR A 49 49.365 90.396 -64.327 1.00 0.00 H new ATOM 0 HG23 THR A 49 48.707 89.964 -65.923 1.00 0.00 H new ATOM 771 N VAL A 50 44.807 90.509 -65.160 1.00 0.00 N ATOM 772 CA VAL A 50 43.868 89.671 -65.971 1.00 0.00 C ATOM 773 C VAL A 50 43.373 90.483 -67.173 1.00 0.00 C ATOM 774 O VAL A 50 44.054 91.371 -67.657 1.00 0.00 O ATOM 775 CB VAL A 50 42.675 89.246 -65.088 1.00 0.00 C ATOM 776 CG1 VAL A 50 43.187 88.764 -63.749 1.00 0.00 C ATOM 777 CG2 VAL A 50 41.726 90.419 -64.851 1.00 0.00 C ATOM 0 H VAL A 50 44.401 90.899 -64.309 1.00 0.00 H new ATOM 0 HA VAL A 50 44.381 88.779 -66.332 1.00 0.00 H new ATOM 0 HB VAL A 50 42.137 88.450 -65.603 1.00 0.00 H new ATOM 0 HG11 VAL A 50 42.346 88.464 -63.124 1.00 0.00 H new ATOM 0 HG12 VAL A 50 43.850 87.912 -63.898 1.00 0.00 H new ATOM 0 HG13 VAL A 50 43.734 89.568 -63.258 1.00 0.00 H new ATOM 0 HG21 VAL A 50 40.894 90.094 -64.226 1.00 0.00 H new ATOM 0 HG22 VAL A 50 42.262 91.225 -64.350 1.00 0.00 H new ATOM 0 HG23 VAL A 50 41.344 90.777 -65.807 1.00 0.00 H new ATOM 787 N THR A 51 42.189 90.205 -67.651 1.00 0.00 N ATOM 788 CA THR A 51 41.650 90.984 -68.791 1.00 0.00 C ATOM 789 C THR A 51 40.220 91.424 -68.459 1.00 0.00 C ATOM 790 O THR A 51 39.335 90.605 -68.346 1.00 0.00 O ATOM 791 CB THR A 51 41.666 90.148 -70.083 1.00 0.00 C ATOM 792 OG1 THR A 51 42.989 89.697 -70.363 1.00 0.00 O ATOM 793 CG2 THR A 51 41.174 91.005 -71.251 1.00 0.00 C ATOM 0 H THR A 51 41.576 89.471 -67.297 1.00 0.00 H new ATOM 0 HA THR A 51 42.277 91.861 -68.955 1.00 0.00 H new ATOM 0 HB THR A 51 41.013 89.285 -69.951 1.00 0.00 H new ATOM 0 HG1 THR A 51 42.998 89.220 -71.219 1.00 0.00 H new ATOM 0 HG21 THR A 51 41.185 90.413 -72.166 1.00 0.00 H new ATOM 0 HG22 THR A 51 40.158 91.344 -71.051 1.00 0.00 H new ATOM 0 HG23 THR A 51 41.828 91.869 -71.369 1.00 0.00 H new ATOM 801 N ILE A 52 39.998 92.711 -68.300 1.00 0.00 N ATOM 802 CA ILE A 52 38.617 93.220 -67.965 1.00 0.00 C ATOM 803 C ILE A 52 37.916 93.686 -69.246 1.00 0.00 C ATOM 804 O ILE A 52 38.480 94.432 -70.034 1.00 0.00 O ATOM 805 CB ILE A 52 38.716 94.391 -66.975 1.00 0.00 C ATOM 806 CG1 ILE A 52 39.560 93.974 -65.768 1.00 0.00 C ATOM 807 CG2 ILE A 52 37.315 94.786 -66.492 1.00 0.00 C ATOM 808 CD1 ILE A 52 39.011 92.677 -65.178 1.00 0.00 C ATOM 0 H ILE A 52 40.712 93.434 -68.387 1.00 0.00 H new ATOM 0 HA ILE A 52 38.041 92.415 -67.509 1.00 0.00 H new ATOM 0 HB ILE A 52 39.182 95.239 -67.476 1.00 0.00 H new ATOM 0 HG12 ILE A 52 40.599 93.837 -66.069 1.00 0.00 H new ATOM 0 HG13 ILE A 52 39.548 94.761 -65.014 1.00 0.00 H new ATOM 0 HG21 ILE A 52 37.393 95.617 -65.791 1.00 0.00 H new ATOM 0 HG22 ILE A 52 36.707 95.087 -67.345 1.00 0.00 H new ATOM 0 HG23 ILE A 52 36.848 93.935 -65.996 1.00 0.00 H new ATOM 0 HD11 ILE A 52 39.615 92.384 -64.319 1.00 0.00 H new ATOM 0 HD12 ILE A 52 37.979 92.829 -64.861 1.00 0.00 H new ATOM 0 HD13 ILE A 52 39.047 91.891 -65.932 1.00 0.00 H new ATOM 820 N LYS A 53 36.697 93.239 -69.481 1.00 0.00 N ATOM 821 CA LYS A 53 35.995 93.644 -70.741 1.00 0.00 C ATOM 822 C LYS A 53 34.475 93.433 -70.689 1.00 0.00 C ATOM 823 O LYS A 53 33.930 92.895 -69.740 1.00 0.00 O ATOM 824 CB LYS A 53 36.538 92.786 -71.878 1.00 0.00 C ATOM 825 CG LYS A 53 36.539 91.311 -71.475 1.00 0.00 C ATOM 826 CD LYS A 53 36.390 90.454 -72.731 1.00 0.00 C ATOM 827 CE LYS A 53 37.213 89.174 -72.599 1.00 0.00 C ATOM 828 NZ LYS A 53 36.987 88.346 -73.815 1.00 0.00 N ATOM 0 H LYS A 53 36.169 92.622 -68.864 1.00 0.00 H new ATOM 0 HA LYS A 53 36.176 94.709 -70.883 1.00 0.00 H new ATOM 0 HB2 LYS A 53 35.929 92.926 -72.771 1.00 0.00 H new ATOM 0 HB3 LYS A 53 37.550 93.102 -72.130 1.00 0.00 H new ATOM 0 HG2 LYS A 53 37.465 91.063 -70.957 1.00 0.00 H new ATOM 0 HG3 LYS A 53 35.722 91.109 -70.782 1.00 0.00 H new ATOM 0 HD2 LYS A 53 35.340 90.205 -72.888 1.00 0.00 H new ATOM 0 HD3 LYS A 53 36.718 91.017 -73.605 1.00 0.00 H new ATOM 0 HE2 LYS A 53 38.271 89.412 -72.493 1.00 0.00 H new ATOM 0 HE3 LYS A 53 36.919 88.624 -71.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 37.499 87.446 -73.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 35.970 88.156 -73.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 37.334 88.857 -74.652 1.00 0.00 H new ATOM 842 N THR A 54 33.808 93.830 -71.763 1.00 0.00 N ATOM 843 CA THR A 54 32.319 93.658 -71.912 1.00 0.00 C ATOM 844 C THR A 54 31.534 94.536 -70.932 1.00 0.00 C ATOM 845 O THR A 54 32.050 95.020 -69.939 1.00 0.00 O ATOM 846 CB THR A 54 31.924 92.180 -71.727 1.00 0.00 C ATOM 847 OG1 THR A 54 31.877 91.845 -70.343 1.00 0.00 O ATOM 848 CG2 THR A 54 32.944 91.289 -72.437 1.00 0.00 C ATOM 0 H THR A 54 34.253 94.279 -72.564 1.00 0.00 H new ATOM 0 HA THR A 54 32.061 93.978 -72.922 1.00 0.00 H new ATOM 0 HB THR A 54 30.935 92.023 -72.157 1.00 0.00 H new ATOM 0 HG1 THR A 54 32.757 91.999 -69.939 1.00 0.00 H new ATOM 0 HG21 THR A 54 32.666 90.243 -72.307 1.00 0.00 H new ATOM 0 HG22 THR A 54 32.961 91.531 -73.500 1.00 0.00 H new ATOM 0 HG23 THR A 54 33.933 91.457 -72.011 1.00 0.00 H new ATOM 856 N ASN A 55 30.270 94.735 -71.231 1.00 0.00 N ATOM 857 CA ASN A 55 29.382 95.567 -70.365 1.00 0.00 C ATOM 858 C ASN A 55 29.946 96.993 -70.220 1.00 0.00 C ATOM 859 O ASN A 55 30.130 97.485 -69.124 1.00 0.00 O ATOM 860 CB ASN A 55 29.246 94.902 -68.989 1.00 0.00 C ATOM 861 CG ASN A 55 28.027 95.470 -68.260 1.00 0.00 C ATOM 862 OD1 ASN A 55 28.164 96.170 -67.281 1.00 0.00 O ATOM 863 ND2 ASN A 55 26.830 95.199 -68.694 1.00 0.00 N ATOM 0 H ASN A 55 29.812 94.347 -72.055 1.00 0.00 H new ATOM 0 HA ASN A 55 28.398 95.640 -70.829 1.00 0.00 H new ATOM 0 HB2 ASN A 55 29.143 93.823 -69.104 1.00 0.00 H new ATOM 0 HB3 ASN A 55 30.147 95.075 -68.400 1.00 0.00 H new ATOM 0 HD21 ASN A 55 26.015 95.575 -68.210 1.00 0.00 H new ATOM 0 HD22 ASN A 55 26.707 94.610 -69.518 1.00 0.00 H new ATOM 870 N ALA A 56 30.217 97.657 -71.323 1.00 0.00 N ATOM 871 CA ALA A 56 30.750 99.063 -71.270 1.00 0.00 C ATOM 872 C ALA A 56 32.229 99.080 -70.860 1.00 0.00 C ATOM 873 O ALA A 56 33.063 99.617 -71.563 1.00 0.00 O ATOM 874 CB ALA A 56 29.938 99.879 -70.253 1.00 0.00 C ATOM 0 H ALA A 56 30.091 97.284 -72.264 1.00 0.00 H new ATOM 0 HA ALA A 56 30.660 99.499 -72.265 1.00 0.00 H new ATOM 0 HB1 ALA A 56 30.323 100.898 -70.214 1.00 0.00 H new ATOM 0 HB2 ALA A 56 28.891 99.898 -70.555 1.00 0.00 H new ATOM 0 HB3 ALA A 56 30.023 99.421 -69.268 1.00 0.00 H new ATOM 880 N CYS A 57 32.548 98.518 -69.715 1.00 0.00 N ATOM 881 CA CYS A 57 33.967 98.510 -69.220 1.00 0.00 C ATOM 882 C CYS A 57 34.376 99.940 -68.798 1.00 0.00 C ATOM 883 O CYS A 57 35.540 100.293 -68.789 1.00 0.00 O ATOM 884 CB CYS A 57 34.889 97.982 -70.328 1.00 0.00 C ATOM 885 SG CYS A 57 36.607 97.969 -69.767 1.00 0.00 S ATOM 0 H CYS A 57 31.879 98.060 -69.096 1.00 0.00 H new ATOM 0 HA CYS A 57 34.055 97.856 -68.352 1.00 0.00 H new ATOM 0 HB2 CYS A 57 34.585 96.975 -70.613 1.00 0.00 H new ATOM 0 HB3 CYS A 57 34.795 98.607 -71.216 1.00 0.00 H new ATOM 890 N HIS A 58 33.412 100.758 -68.432 1.00 0.00 N ATOM 891 CA HIS A 58 33.710 102.159 -67.992 1.00 0.00 C ATOM 892 C HIS A 58 32.577 102.639 -67.074 1.00 0.00 C ATOM 893 O HIS A 58 31.437 102.721 -67.491 1.00 0.00 O ATOM 894 CB HIS A 58 33.801 103.072 -69.224 1.00 0.00 C ATOM 895 CG HIS A 58 35.223 103.516 -69.437 1.00 0.00 C ATOM 896 ND1 HIS A 58 35.683 104.749 -69.007 1.00 0.00 N ATOM 897 CD2 HIS A 58 36.292 102.910 -70.048 1.00 0.00 C ATOM 898 CE1 HIS A 58 36.978 104.847 -69.364 1.00 0.00 C ATOM 899 NE2 HIS A 58 37.399 103.752 -70.001 1.00 0.00 N ATOM 0 H HIS A 58 32.423 100.510 -68.420 1.00 0.00 H new ATOM 0 HA HIS A 58 34.658 102.189 -67.455 1.00 0.00 H new ATOM 0 HB2 HIS A 58 33.442 102.542 -70.106 1.00 0.00 H new ATOM 0 HB3 HIS A 58 33.157 103.941 -69.090 1.00 0.00 H new ATOM 0 HD2 HIS A 58 36.277 101.928 -70.497 1.00 0.00 H new ATOM 0 HE1 HIS A 58 37.600 105.706 -69.160 1.00 0.00 H new ATOM 0 HE2 HIS A 58 38.331 103.571 -70.373 1.00 0.00 H new ATOM 907 N ASN A 59 32.878 102.930 -65.822 1.00 0.00 N ATOM 908 CA ASN A 59 31.813 103.375 -64.860 1.00 0.00 C ATOM 909 C ASN A 59 30.734 102.279 -64.783 1.00 0.00 C ATOM 910 O ASN A 59 29.719 102.337 -65.456 1.00 0.00 O ATOM 911 CB ASN A 59 31.199 104.696 -65.340 1.00 0.00 C ATOM 912 CG ASN A 59 30.344 105.297 -64.224 1.00 0.00 C ATOM 913 OD1 ASN A 59 30.847 105.643 -63.177 1.00 0.00 O ATOM 914 ND2 ASN A 59 29.065 105.431 -64.400 1.00 0.00 N ATOM 0 H ASN A 59 33.817 102.877 -65.428 1.00 0.00 H new ATOM 0 HA ASN A 59 32.242 103.536 -63.871 1.00 0.00 H new ATOM 0 HB2 ASN A 59 31.987 105.393 -65.624 1.00 0.00 H new ATOM 0 HB3 ASN A 59 30.590 104.525 -66.227 1.00 0.00 H new ATOM 0 HD21 ASN A 59 28.487 105.826 -63.659 1.00 0.00 H new ATOM 0 HD22 ASN A 59 28.638 105.141 -65.280 1.00 0.00 H new ATOM 921 N GLY A 60 30.974 101.258 -63.991 1.00 0.00 N ATOM 922 CA GLY A 60 30.000 100.125 -63.898 1.00 0.00 C ATOM 923 C GLY A 60 30.133 99.305 -65.182 1.00 0.00 C ATOM 924 O GLY A 60 29.247 99.291 -66.012 1.00 0.00 O ATOM 0 H GLY A 60 31.804 101.162 -63.405 1.00 0.00 H new ATOM 0 HA2 GLY A 60 30.210 99.508 -63.024 1.00 0.00 H new ATOM 0 HA3 GLY A 60 28.983 100.501 -63.785 1.00 0.00 H new ATOM 928 N GLY A 61 31.259 98.652 -65.362 1.00 0.00 N ATOM 929 CA GLY A 61 31.485 97.860 -66.612 1.00 0.00 C ATOM 930 C GLY A 61 32.109 96.496 -66.296 1.00 0.00 C ATOM 931 O GLY A 61 32.270 96.127 -65.147 1.00 0.00 O ATOM 0 H GLY A 61 32.031 98.635 -64.695 1.00 0.00 H new ATOM 0 HA2 GLY A 61 30.538 97.718 -67.133 1.00 0.00 H new ATOM 0 HA3 GLY A 61 32.139 98.415 -67.285 1.00 0.00 H new ATOM 935 N GLY A 62 32.461 95.745 -67.318 1.00 0.00 N ATOM 936 CA GLY A 62 33.077 94.396 -67.102 1.00 0.00 C ATOM 937 C GLY A 62 32.046 93.474 -66.452 1.00 0.00 C ATOM 938 O GLY A 62 31.910 93.442 -65.244 1.00 0.00 O ATOM 0 H GLY A 62 32.347 96.012 -68.296 1.00 0.00 H new ATOM 0 HA2 GLY A 62 33.409 93.978 -68.052 1.00 0.00 H new ATOM 0 HA3 GLY A 62 33.958 94.482 -66.466 1.00 0.00 H new ATOM 942 N PHE A 63 31.298 92.742 -67.240 1.00 0.00 N ATOM 943 CA PHE A 63 30.254 91.853 -66.649 1.00 0.00 C ATOM 944 C PHE A 63 30.752 90.400 -66.527 1.00 0.00 C ATOM 945 O PHE A 63 31.166 89.981 -65.463 1.00 0.00 O ATOM 946 CB PHE A 63 28.987 91.908 -67.515 1.00 0.00 C ATOM 947 CG PHE A 63 27.904 91.053 -66.895 1.00 0.00 C ATOM 948 CD1 PHE A 63 27.455 91.322 -65.596 1.00 0.00 C ATOM 949 CD2 PHE A 63 27.350 89.990 -67.620 1.00 0.00 C ATOM 950 CE1 PHE A 63 26.454 90.529 -65.023 1.00 0.00 C ATOM 951 CE2 PHE A 63 26.349 89.197 -67.045 1.00 0.00 C ATOM 952 CZ PHE A 63 25.902 89.467 -65.746 1.00 0.00 C ATOM 0 H PHE A 63 31.365 92.722 -68.258 1.00 0.00 H new ATOM 0 HA PHE A 63 30.029 92.209 -65.644 1.00 0.00 H new ATOM 0 HB2 PHE A 63 28.642 92.938 -67.606 1.00 0.00 H new ATOM 0 HB3 PHE A 63 29.209 91.556 -68.522 1.00 0.00 H new ATOM 0 HD1 PHE A 63 27.881 92.141 -65.036 1.00 0.00 H new ATOM 0 HD2 PHE A 63 27.695 89.782 -68.622 1.00 0.00 H new ATOM 0 HE1 PHE A 63 26.108 90.738 -64.022 1.00 0.00 H new ATOM 0 HE2 PHE A 63 25.922 88.377 -67.604 1.00 0.00 H new ATOM 0 HZ PHE A 63 25.131 88.855 -65.302 1.00 0.00 H new ATOM 962 N SER A 64 30.683 89.614 -67.586 1.00 0.00 N ATOM 963 CA SER A 64 31.114 88.181 -67.473 1.00 0.00 C ATOM 964 C SER A 64 32.219 87.807 -68.466 1.00 0.00 C ATOM 965 O SER A 64 32.221 86.713 -68.995 1.00 0.00 O ATOM 966 CB SER A 64 29.897 87.270 -67.694 1.00 0.00 C ATOM 967 OG SER A 64 30.104 86.026 -67.019 1.00 0.00 O ATOM 0 H SER A 64 30.352 89.900 -68.507 1.00 0.00 H new ATOM 0 HA SER A 64 31.527 88.045 -66.473 1.00 0.00 H new ATOM 0 HB2 SER A 64 28.995 87.753 -67.320 1.00 0.00 H new ATOM 0 HB3 SER A 64 29.747 87.097 -68.760 1.00 0.00 H new ATOM 0 HG SER A 64 30.932 85.612 -67.342 1.00 0.00 H new ATOM 973 N GLU A 65 33.179 88.668 -68.708 1.00 0.00 N ATOM 974 CA GLU A 65 34.278 88.290 -69.637 1.00 0.00 C ATOM 975 C GLU A 65 35.601 88.798 -69.064 1.00 0.00 C ATOM 976 O GLU A 65 35.905 89.977 -69.117 1.00 0.00 O ATOM 977 CB GLU A 65 34.009 88.893 -71.007 1.00 0.00 C ATOM 978 CG GLU A 65 33.071 87.958 -71.784 1.00 0.00 C ATOM 979 CD GLU A 65 33.874 87.088 -72.759 1.00 0.00 C ATOM 980 OE1 GLU A 65 34.639 87.641 -73.540 1.00 0.00 O ATOM 981 OE2 GLU A 65 33.714 85.880 -72.710 1.00 0.00 O ATOM 0 H GLU A 65 33.245 89.603 -68.306 1.00 0.00 H new ATOM 0 HA GLU A 65 34.333 87.207 -69.745 1.00 0.00 H new ATOM 0 HB2 GLU A 65 33.557 89.879 -70.903 1.00 0.00 H new ATOM 0 HB3 GLU A 65 34.944 89.026 -71.551 1.00 0.00 H new ATOM 0 HG2 GLU A 65 32.521 87.324 -71.089 1.00 0.00 H new ATOM 0 HG3 GLU A 65 32.334 88.545 -72.332 1.00 0.00 H new ATOM 988 N VAL A 66 36.382 87.914 -68.491 1.00 0.00 N ATOM 989 CA VAL A 66 37.686 88.343 -67.892 1.00 0.00 C ATOM 990 C VAL A 66 38.725 87.230 -68.061 1.00 0.00 C ATOM 991 O VAL A 66 38.444 86.070 -67.830 1.00 0.00 O ATOM 992 CB VAL A 66 37.497 88.665 -66.398 1.00 0.00 C ATOM 993 CG1 VAL A 66 38.858 88.844 -65.721 1.00 0.00 C ATOM 994 CG2 VAL A 66 36.694 89.960 -66.247 1.00 0.00 C ATOM 0 H VAL A 66 36.175 86.918 -68.412 1.00 0.00 H new ATOM 0 HA VAL A 66 38.037 89.239 -68.404 1.00 0.00 H new ATOM 0 HB VAL A 66 36.963 87.839 -65.928 1.00 0.00 H new ATOM 0 HG11 VAL A 66 38.712 89.071 -64.665 1.00 0.00 H new ATOM 0 HG12 VAL A 66 39.436 87.925 -65.818 1.00 0.00 H new ATOM 0 HG13 VAL A 66 39.396 89.663 -66.197 1.00 0.00 H new ATOM 0 HG21 VAL A 66 36.562 90.185 -65.189 1.00 0.00 H new ATOM 0 HG22 VAL A 66 37.230 90.778 -66.728 1.00 0.00 H new ATOM 0 HG23 VAL A 66 35.718 89.840 -66.717 1.00 0.00 H new ATOM 1004 N ILE A 67 39.926 87.576 -68.457 1.00 0.00 N ATOM 1005 CA ILE A 67 40.984 86.523 -68.640 1.00 0.00 C ATOM 1006 C ILE A 67 41.967 86.552 -67.474 1.00 0.00 C ATOM 1007 O ILE A 67 42.573 87.558 -67.197 1.00 0.00 O ATOM 1008 CB ILE A 67 41.726 86.734 -69.955 1.00 0.00 C ATOM 1009 CG1 ILE A 67 40.796 86.342 -71.088 1.00 0.00 C ATOM 1010 CG2 ILE A 67 42.960 85.833 -69.996 1.00 0.00 C ATOM 1011 CD1 ILE A 67 40.691 87.486 -72.095 1.00 0.00 C ATOM 0 H ILE A 67 40.221 88.531 -68.661 1.00 0.00 H new ATOM 0 HA ILE A 67 40.498 85.548 -68.667 1.00 0.00 H new ATOM 0 HB ILE A 67 42.035 87.775 -70.049 1.00 0.00 H new ATOM 0 HG12 ILE A 67 41.169 85.445 -71.582 1.00 0.00 H new ATOM 0 HG13 ILE A 67 39.809 86.102 -70.693 1.00 0.00 H new ATOM 0 HG21 ILE A 67 43.490 85.984 -70.936 1.00 0.00 H new ATOM 0 HG22 ILE A 67 43.619 86.081 -69.164 1.00 0.00 H new ATOM 0 HG23 ILE A 67 42.652 84.790 -69.917 1.00 0.00 H new ATOM 0 HD11 ILE A 67 40.022 87.197 -72.905 1.00 0.00 H new ATOM 0 HD12 ILE A 67 40.298 88.373 -71.598 1.00 0.00 H new ATOM 0 HD13 ILE A 67 41.679 87.705 -72.501 1.00 0.00 H new ATOM 1023 N PHE A 68 42.109 85.448 -66.784 1.00 0.00 N ATOM 1024 CA PHE A 68 43.027 85.397 -65.597 1.00 0.00 C ATOM 1025 C PHE A 68 44.496 85.486 -66.000 1.00 0.00 C ATOM 1026 O PHE A 68 44.900 84.970 -67.042 1.00 0.00 O ATOM 1027 CB PHE A 68 42.814 84.098 -64.811 1.00 0.00 C ATOM 1028 CG PHE A 68 41.340 83.842 -64.622 1.00 0.00 C ATOM 1029 CD1 PHE A 68 40.422 84.892 -64.737 1.00 0.00 C ATOM 1030 CD2 PHE A 68 40.895 82.551 -64.351 1.00 0.00 C ATOM 1031 CE1 PHE A 68 39.063 84.651 -64.582 1.00 0.00 C ATOM 1032 CE2 PHE A 68 39.532 82.304 -64.193 1.00 0.00 C ATOM 1033 CZ PHE A 68 38.611 83.352 -64.308 1.00 0.00 C ATOM 0 H PHE A 68 41.627 84.573 -66.991 1.00 0.00 H new ATOM 0 HA PHE A 68 42.784 86.260 -64.977 1.00 0.00 H new ATOM 0 HB2 PHE A 68 43.271 83.263 -65.343 1.00 0.00 H new ATOM 0 HB3 PHE A 68 43.306 84.166 -63.841 1.00 0.00 H new ATOM 0 HD1 PHE A 68 40.771 85.892 -64.947 1.00 0.00 H new ATOM 0 HD2 PHE A 68 41.605 81.742 -64.263 1.00 0.00 H new ATOM 0 HE1 PHE A 68 38.356 85.462 -64.672 1.00 0.00 H new ATOM 0 HE2 PHE A 68 39.186 81.303 -63.982 1.00 0.00 H new ATOM 0 HZ PHE A 68 37.555 83.161 -64.186 1.00 0.00 H new ATOM 1043 N ARG A 69 45.264 86.125 -65.124 1.00 0.00 N ATOM 1044 CA ARG A 69 46.749 86.321 -65.273 1.00 0.00 C ATOM 1045 C ARG A 69 47.184 87.607 -64.510 1.00 0.00 C ATOM 1046 O ARG A 69 46.334 88.252 -63.901 1.00 0.00 O ATOM 1047 CB ARG A 69 47.155 86.432 -66.752 1.00 0.00 C ATOM 1048 CG ARG A 69 47.770 85.103 -67.247 1.00 0.00 C ATOM 1049 CD ARG A 69 48.671 84.458 -66.177 1.00 0.00 C ATOM 1050 NE ARG A 69 49.548 85.481 -65.540 1.00 0.00 N ATOM 1051 CZ ARG A 69 50.370 86.175 -66.253 1.00 0.00 C ATOM 1052 NH1 ARG A 69 51.223 85.582 -67.034 1.00 0.00 N ATOM 1053 NH2 ARG A 69 50.322 87.464 -66.183 1.00 0.00 N ATOM 1054 OXT ARG A 69 48.366 87.920 -64.529 1.00 0.00 O ATOM 0 H ARG A 69 44.891 86.537 -64.269 1.00 0.00 H new ATOM 0 HA ARG A 69 47.251 85.451 -64.850 1.00 0.00 H new ATOM 0 HB2 ARG A 69 46.283 86.683 -67.356 1.00 0.00 H new ATOM 0 HB3 ARG A 69 47.874 87.241 -66.878 1.00 0.00 H new ATOM 0 HG2 ARG A 69 46.972 84.411 -67.516 1.00 0.00 H new ATOM 0 HG3 ARG A 69 48.352 85.286 -68.151 1.00 0.00 H new ATOM 0 HD2 ARG A 69 48.055 83.977 -65.418 1.00 0.00 H new ATOM 0 HD3 ARG A 69 49.283 83.679 -66.631 1.00 0.00 H new ATOM 0 HE ARG A 69 49.498 85.634 -64.533 1.00 0.00 H new ATOM 0 HH11 ARG A 69 51.245 84.564 -67.085 1.00 0.00 H new ATOM 0 HH12 ARG A 69 51.870 86.135 -67.595 1.00 0.00 H new ATOM 0 HH21 ARG A 69 49.642 87.917 -65.572 1.00 0.00 H new ATOM 0 HH22 ARG A 69 50.964 88.029 -66.739 1.00 0.00 H new