USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 803 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 86 HIS : no HD1:sc= 0.342 K(o=0.68,f=-0.011) USER MOD Set 1.2: A 91 THR OG1 : rot -84:sc= 0.342 USER MOD Set 2.1: A 46 ASN : amide:sc= -0.0233 X(o=0.35,f=-0.077) USER MOD Set 2.2: A 78 SER OG : rot -160:sc= 0.375 USER MOD Set 3.1: A 44 HIS : no HE2:sc= -0.429 K(o=-1.5,f=-5.8) USER MOD Set 3.2: A 84 ASN : amide:sc= -1.08 K(o=-1.5,f=-4.5!) USER MOD Single : A 1 MET CE :methyl 165:sc= -0.0986 (180deg=-0.439) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.0815) USER MOD Single : A 3 HIS : no HD1:sc= -0.054 X(o=-0.054,f=-0.06) USER MOD Single : A 4 HIS : no HD1:sc=-0.00719 X(o=-0.0072,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HE2:sc= -0.0828 K(o=-0.083,f=-0.72) USER MOD Single : A 7 HIS : no HD1:sc= -0.51 X(o=-0.51,f=-0.14) USER MOD Single : A 8 HIS : no HD1:sc= -0.306 X(o=-0.31,f=-0.39) USER MOD Single : A 10 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.48) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0548 X(o=-0.055,f=-0.29) USER MOD Single : A 15 SER OG : rot 170:sc= 0.707 USER MOD Single : A 16 HIS : no HE2:sc= 0.384 K(o=0.38,f=-1.3) USER MOD Single : A 17 MET CE :methyl -167:sc=-0.00283 (180deg=-0.172) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0133 X(o=-0.013,f=-0.013) USER MOD Single : A 33 HIS : no HE2:sc= -0.839 K(o=-0.84,f=0.061) USER MOD Single : A 37 THR OG1 : rot -0:sc= -0.249 USER MOD Single : A 56 ASN : amide:sc= -0.218 X(o=-0.22,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -170:sc=-0.00214 (180deg=-0.1) USER MOD Single : A 63 LYS NZ :NH3+ -106:sc= -0.618 (180deg=-2.2!) USER MOD Single : A 64 LYS NZ :NH3+ -112:sc= 0.373 (180deg=-0.11) USER MOD Single : A 72 LYS NZ :NH3+ -113:sc= -0.246 (180deg=-1.67!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 42:sc= 0.0296 USER MOD Single : A 90 GLN : amide:sc= -0.906 K(o=-0.91,f=0) USER MOD Single : A 93 THR OG1 : rot 37:sc= 0.535 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.071 -24.656 21.217 1.00 40.13 N ATOM 2 CA MET A 1 -15.873 -23.229 21.554 1.00 73.11 C ATOM 3 C MET A 1 -14.554 -23.063 22.319 1.00 20.30 C ATOM 4 O MET A 1 -14.468 -23.378 23.513 1.00 32.50 O ATOM 5 CB MET A 1 -17.075 -22.690 22.379 1.00 52.52 C ATOM 6 CG MET A 1 -18.416 -22.681 21.627 1.00 50.33 C ATOM 7 SD MET A 1 -19.796 -22.106 22.645 1.00 71.11 S ATOM 8 CE MET A 1 -19.261 -20.459 23.132 1.00 73.32 C ATOM 0 H1 MET A 1 -16.870 -24.749 20.558 1.00 40.13 H new ATOM 0 H2 MET A 1 -15.209 -25.030 20.772 1.00 40.13 H new ATOM 0 H3 MET A 1 -16.274 -25.193 22.084 1.00 40.13 H new ATOM 0 HA MET A 1 -15.819 -22.645 20.635 1.00 73.11 H new ATOM 0 HB2 MET A 1 -17.182 -23.296 23.278 1.00 52.52 H new ATOM 0 HB3 MET A 1 -16.849 -21.674 22.704 1.00 52.52 H new ATOM 0 HG2 MET A 1 -18.329 -22.041 20.749 1.00 50.33 H new ATOM 0 HG3 MET A 1 -18.631 -23.687 21.268 1.00 50.33 H new ATOM 0 HE1 MET A 1 -20.111 -19.902 23.527 1.00 73.32 H new ATOM 0 HE2 MET A 1 -18.491 -20.539 23.899 1.00 73.32 H new ATOM 0 HE3 MET A 1 -18.857 -19.937 22.265 1.00 73.32 H new ATOM 20 N GLY A 2 -13.523 -22.607 21.596 1.00 41.01 N ATOM 21 CA GLY A 2 -12.198 -22.391 22.157 1.00 74.32 C ATOM 22 C GLY A 2 -11.269 -21.764 21.139 1.00 5.44 C ATOM 23 O GLY A 2 -11.317 -22.114 19.957 1.00 30.43 O ATOM 0 H GLY A 2 -13.592 -22.379 20.604 1.00 41.01 H new ATOM 0 HA2 GLY A 2 -12.271 -21.746 23.032 1.00 74.32 H new ATOM 0 HA3 GLY A 2 -11.784 -23.341 22.495 1.00 74.32 H new ATOM 27 N HIS A 3 -10.413 -20.845 21.599 1.00 60.10 N ATOM 28 CA HIS A 3 -9.484 -20.103 20.739 1.00 5.32 C ATOM 29 C HIS A 3 -8.141 -19.935 21.463 1.00 5.44 C ATOM 30 O HIS A 3 -8.083 -19.385 22.570 1.00 1.11 O ATOM 31 CB HIS A 3 -10.087 -18.724 20.341 1.00 10.20 C ATOM 32 CG HIS A 3 -10.406 -17.808 21.502 1.00 63.50 C ATOM 33 ND1 HIS A 3 -9.578 -16.782 21.896 1.00 21.43 N ATOM 34 CD2 HIS A 3 -11.456 -17.784 22.359 1.00 73.44 C ATOM 35 CE1 HIS A 3 -10.100 -16.168 22.936 1.00 74.12 C ATOM 36 NE2 HIS A 3 -11.241 -16.751 23.240 1.00 10.22 N ATOM 0 H HIS A 3 -10.345 -20.593 22.585 1.00 60.10 H new ATOM 0 HA HIS A 3 -9.317 -20.664 19.820 1.00 5.32 H new ATOM 0 HB2 HIS A 3 -9.387 -18.216 19.678 1.00 10.20 H new ATOM 0 HB3 HIS A 3 -11.000 -18.894 19.770 1.00 10.20 H new ATOM 0 HD2 HIS A 3 -12.304 -18.453 22.351 1.00 73.44 H new ATOM 0 HE1 HIS A 3 -9.665 -15.326 23.454 1.00 74.12 H new ATOM 0 HE2 HIS A 3 -11.862 -16.481 24.003 1.00 10.22 H new ATOM 45 N HIS A 4 -7.072 -20.446 20.850 1.00 13.23 N ATOM 46 CA HIS A 4 -5.702 -20.276 21.346 1.00 55.13 C ATOM 47 C HIS A 4 -4.802 -19.940 20.153 1.00 1.43 C ATOM 48 O HIS A 4 -4.436 -20.823 19.365 1.00 51.44 O ATOM 49 CB HIS A 4 -5.203 -21.548 22.086 1.00 74.32 C ATOM 50 CG HIS A 4 -3.807 -21.414 22.661 1.00 31.23 C ATOM 51 ND1 HIS A 4 -3.560 -21.046 23.966 1.00 25.41 N ATOM 52 CD2 HIS A 4 -2.584 -21.584 22.093 1.00 43.10 C ATOM 53 CE1 HIS A 4 -2.259 -20.994 24.170 1.00 21.04 C ATOM 54 NE2 HIS A 4 -1.647 -21.315 23.053 1.00 71.20 N ATOM 0 H HIS A 4 -7.131 -20.993 19.991 1.00 13.23 H new ATOM 0 HA HIS A 4 -5.673 -19.464 22.073 1.00 55.13 H new ATOM 0 HB2 HIS A 4 -5.897 -21.783 22.893 1.00 74.32 H new ATOM 0 HB3 HIS A 4 -5.221 -22.390 21.394 1.00 74.32 H new ATOM 0 HD2 HIS A 4 -2.388 -21.877 21.072 1.00 43.10 H new ATOM 0 HE1 HIS A 4 -1.777 -20.731 25.100 1.00 21.04 H new ATOM 0 HE2 HIS A 4 -0.636 -21.357 22.922 1.00 71.20 H new ATOM 63 N HIS A 5 -4.504 -18.652 19.994 1.00 51.21 N ATOM 64 CA HIS A 5 -3.581 -18.157 18.964 1.00 33.53 C ATOM 65 C HIS A 5 -2.162 -18.045 19.550 1.00 52.45 C ATOM 66 O HIS A 5 -1.934 -18.404 20.719 1.00 14.15 O ATOM 67 CB HIS A 5 -4.074 -16.785 18.441 1.00 54.15 C ATOM 68 CG HIS A 5 -5.385 -16.829 17.697 1.00 10.21 C ATOM 69 ND1 HIS A 5 -5.486 -16.587 16.342 1.00 51.51 N ATOM 70 CD2 HIS A 5 -6.649 -17.058 18.128 1.00 21.21 C ATOM 71 CE1 HIS A 5 -6.749 -16.657 15.976 1.00 12.35 C ATOM 72 NE2 HIS A 5 -7.473 -16.941 17.040 1.00 41.23 N ATOM 0 H HIS A 5 -4.897 -17.914 20.578 1.00 51.21 H new ATOM 0 HA HIS A 5 -3.553 -18.856 18.128 1.00 33.53 H new ATOM 0 HB2 HIS A 5 -4.174 -16.104 19.286 1.00 54.15 H new ATOM 0 HB3 HIS A 5 -3.312 -16.367 17.783 1.00 54.15 H new ATOM 0 HD2 HIS A 5 -6.950 -17.289 19.139 1.00 21.21 H new ATOM 0 HE1 HIS A 5 -7.127 -16.507 14.975 1.00 12.35 H new ATOM 0 HE2 HIS A 5 -8.486 -17.056 17.052 1.00 41.23 H new ATOM 81 N HIS A 6 -1.207 -17.558 18.740 1.00 21.12 N ATOM 82 CA HIS A 6 0.178 -17.345 19.198 1.00 32.23 C ATOM 83 C HIS A 6 0.270 -16.110 20.121 1.00 62.03 C ATOM 84 O HIS A 6 -0.460 -15.131 19.952 1.00 61.52 O ATOM 85 CB HIS A 6 1.165 -17.239 18.003 1.00 43.32 C ATOM 86 CG HIS A 6 0.836 -16.200 16.955 1.00 31.31 C ATOM 87 ND1 HIS A 6 0.715 -14.852 17.223 1.00 42.10 N ATOM 88 CD2 HIS A 6 0.620 -16.327 15.621 1.00 62.24 C ATOM 89 CE1 HIS A 6 0.446 -14.204 16.107 1.00 5.55 C ATOM 90 NE2 HIS A 6 0.383 -15.073 15.127 1.00 24.35 N ATOM 0 H HIS A 6 -1.368 -17.304 17.765 1.00 21.12 H new ATOM 0 HA HIS A 6 0.473 -18.218 19.780 1.00 32.23 H new ATOM 0 HB2 HIS A 6 2.158 -17.025 18.397 1.00 43.32 H new ATOM 0 HB3 HIS A 6 1.218 -18.212 17.515 1.00 43.32 H new ATOM 0 HD1 HIS A 6 0.818 -14.423 18.143 1.00 42.10 H new ATOM 0 HD2 HIS A 6 0.633 -17.247 15.055 1.00 62.24 H new ATOM 0 HE1 HIS A 6 0.302 -13.138 16.015 1.00 5.55 H new ATOM 99 N HIS A 7 1.190 -16.183 21.084 1.00 73.34 N ATOM 100 CA HIS A 7 1.445 -15.121 22.085 1.00 43.14 C ATOM 101 C HIS A 7 2.481 -14.093 21.559 1.00 12.24 C ATOM 102 O HIS A 7 2.851 -13.160 22.272 1.00 12.52 O ATOM 103 CB HIS A 7 1.926 -15.828 23.386 1.00 4.54 C ATOM 104 CG HIS A 7 2.314 -14.943 24.543 1.00 21.13 C ATOM 105 ND1 HIS A 7 1.405 -14.231 25.288 1.00 21.32 N ATOM 106 CD2 HIS A 7 3.527 -14.675 25.083 1.00 65.34 C ATOM 107 CE1 HIS A 7 2.035 -13.568 26.235 1.00 12.53 C ATOM 108 NE2 HIS A 7 3.323 -13.818 26.130 1.00 44.02 N ATOM 0 H HIS A 7 1.796 -16.995 21.201 1.00 73.34 H new ATOM 0 HA HIS A 7 0.539 -14.549 22.287 1.00 43.14 H new ATOM 0 HB2 HIS A 7 1.133 -16.496 23.722 1.00 4.54 H new ATOM 0 HB3 HIS A 7 2.783 -16.452 23.135 1.00 4.54 H new ATOM 0 HD2 HIS A 7 4.477 -15.065 24.750 1.00 65.34 H new ATOM 0 HE1 HIS A 7 1.574 -12.928 26.972 1.00 12.53 H new ATOM 0 HE2 HIS A 7 4.052 -13.435 26.732 1.00 44.02 H new ATOM 117 N HIS A 8 2.907 -14.279 20.281 1.00 61.32 N ATOM 118 CA HIS A 8 4.022 -13.555 19.618 1.00 42.24 C ATOM 119 C HIS A 8 5.338 -13.674 20.419 1.00 64.43 C ATOM 120 O HIS A 8 6.259 -12.864 20.261 1.00 24.13 O ATOM 121 CB HIS A 8 3.664 -12.076 19.217 1.00 65.24 C ATOM 122 CG HIS A 8 3.517 -11.063 20.328 1.00 51.30 C ATOM 123 ND1 HIS A 8 2.295 -10.612 20.780 1.00 54.24 N ATOM 124 CD2 HIS A 8 4.446 -10.406 21.058 1.00 5.32 C ATOM 125 CE1 HIS A 8 2.482 -9.721 21.731 1.00 73.05 C ATOM 126 NE2 HIS A 8 3.778 -9.581 21.922 1.00 31.04 N ATOM 0 H HIS A 8 2.467 -14.961 19.664 1.00 61.32 H new ATOM 0 HA HIS A 8 4.191 -14.058 18.666 1.00 42.24 H new ATOM 0 HB2 HIS A 8 4.436 -11.717 18.536 1.00 65.24 H new ATOM 0 HB3 HIS A 8 2.729 -12.097 18.657 1.00 65.24 H new ATOM 0 HD2 HIS A 8 5.518 -10.512 20.975 1.00 5.32 H new ATOM 0 HE1 HIS A 8 1.705 -9.194 22.264 1.00 73.05 H new ATOM 0 HE2 HIS A 8 4.213 -8.959 22.603 1.00 31.04 H new ATOM 135 N GLU A 9 5.432 -14.766 21.217 1.00 51.13 N ATOM 136 CA GLU A 9 6.642 -15.126 21.979 1.00 2.12 C ATOM 137 C GLU A 9 7.789 -15.466 21.010 1.00 51.20 C ATOM 138 O GLU A 9 8.964 -15.354 21.357 1.00 33.43 O ATOM 139 CB GLU A 9 6.343 -16.337 22.896 1.00 32.31 C ATOM 140 CG GLU A 9 7.442 -16.658 23.926 1.00 5.11 C ATOM 141 CD GLU A 9 7.599 -15.557 24.985 1.00 54.52 C ATOM 142 OE1 GLU A 9 8.601 -14.817 24.961 1.00 12.11 O ATOM 143 OE2 GLU A 9 6.695 -15.414 25.836 1.00 74.21 O ATOM 0 H GLU A 9 4.662 -15.423 21.347 1.00 51.13 H new ATOM 0 HA GLU A 9 6.942 -14.279 22.597 1.00 2.12 H new ATOM 0 HB2 GLU A 9 5.410 -16.150 23.428 1.00 32.31 H new ATOM 0 HB3 GLU A 9 6.183 -17.216 22.272 1.00 32.31 H new ATOM 0 HG2 GLU A 9 7.208 -17.601 24.420 1.00 5.11 H new ATOM 0 HG3 GLU A 9 8.391 -16.797 23.408 1.00 5.11 H new ATOM 150 N ASN A 10 7.387 -15.864 19.783 1.00 35.24 N ATOM 151 CA ASN A 10 8.275 -16.114 18.629 1.00 21.54 C ATOM 152 C ASN A 10 9.286 -14.972 18.447 1.00 14.52 C ATOM 153 O ASN A 10 10.455 -15.217 18.132 1.00 53.43 O ATOM 154 CB ASN A 10 7.420 -16.238 17.344 1.00 63.13 C ATOM 155 CG ASN A 10 6.310 -17.279 17.464 1.00 61.14 C ATOM 156 OD1 ASN A 10 5.183 -16.957 17.855 1.00 1.12 O ATOM 157 ND2 ASN A 10 6.628 -18.527 17.169 1.00 70.51 N ATOM 0 H ASN A 10 6.404 -16.025 19.563 1.00 35.24 H new ATOM 0 HA ASN A 10 8.824 -17.037 18.814 1.00 21.54 H new ATOM 0 HB2 ASN A 10 6.978 -15.269 17.113 1.00 63.13 H new ATOM 0 HB3 ASN A 10 8.068 -16.500 16.507 1.00 63.13 H new ATOM 0 HD21 ASN A 10 5.931 -19.266 17.261 1.00 70.51 H new ATOM 0 HD22 ASN A 10 7.570 -18.751 16.849 1.00 70.51 H new ATOM 164 N LEU A 11 8.787 -13.730 18.655 1.00 22.20 N ATOM 165 CA LEU A 11 9.570 -12.489 18.568 1.00 33.10 C ATOM 166 C LEU A 11 10.236 -12.387 17.180 1.00 53.55 C ATOM 167 O LEU A 11 11.466 -12.379 17.040 1.00 2.25 O ATOM 168 CB LEU A 11 10.592 -12.387 19.751 1.00 72.04 C ATOM 169 CG LEU A 11 11.352 -11.028 19.890 1.00 35.22 C ATOM 170 CD1 LEU A 11 10.375 -9.849 20.109 1.00 65.21 C ATOM 171 CD2 LEU A 11 12.424 -11.104 21.004 1.00 43.10 C ATOM 0 H LEU A 11 7.808 -13.567 18.892 1.00 22.20 H new ATOM 0 HA LEU A 11 8.906 -11.631 18.671 1.00 33.10 H new ATOM 0 HB2 LEU A 11 10.059 -12.578 20.682 1.00 72.04 H new ATOM 0 HB3 LEU A 11 11.329 -13.182 19.637 1.00 72.04 H new ATOM 0 HG LEU A 11 11.870 -10.838 18.950 1.00 35.22 H new ATOM 0 HD11 LEU A 11 10.939 -8.921 20.201 1.00 65.21 H new ATOM 0 HD12 LEU A 11 9.695 -9.777 19.260 1.00 65.21 H new ATOM 0 HD13 LEU A 11 9.801 -10.017 21.020 1.00 65.21 H new ATOM 0 HD21 LEU A 11 12.938 -10.146 21.080 1.00 43.10 H new ATOM 0 HD22 LEU A 11 11.945 -11.335 21.955 1.00 43.10 H new ATOM 0 HD23 LEU A 11 13.145 -11.885 20.762 1.00 43.10 H new ATOM 183 N TYR A 12 9.381 -12.409 16.153 1.00 64.35 N ATOM 184 CA TYR A 12 9.810 -12.300 14.760 1.00 33.51 C ATOM 185 C TYR A 12 10.239 -10.840 14.475 1.00 10.25 C ATOM 186 O TYR A 12 9.408 -9.945 14.284 1.00 5.13 O ATOM 187 CB TYR A 12 8.700 -12.828 13.787 1.00 11.41 C ATOM 188 CG TYR A 12 7.355 -12.078 13.833 1.00 33.24 C ATOM 189 CD1 TYR A 12 6.471 -12.232 14.908 1.00 44.23 C ATOM 190 CD2 TYR A 12 6.986 -11.195 12.814 1.00 14.43 C ATOM 191 CE1 TYR A 12 5.285 -11.532 14.963 1.00 72.13 C ATOM 192 CE2 TYR A 12 5.797 -10.501 12.866 1.00 35.45 C ATOM 193 CZ TYR A 12 4.952 -10.667 13.942 1.00 51.14 C ATOM 194 OH TYR A 12 3.781 -9.947 14.007 1.00 22.21 O ATOM 0 H TYR A 12 8.372 -12.503 16.267 1.00 64.35 H new ATOM 0 HA TYR A 12 10.677 -12.936 14.583 1.00 33.51 H new ATOM 0 HB2 TYR A 12 9.085 -12.783 12.768 1.00 11.41 H new ATOM 0 HB3 TYR A 12 8.516 -13.879 14.012 1.00 11.41 H new ATOM 0 HD1 TYR A 12 6.723 -12.912 15.709 1.00 44.23 H new ATOM 0 HD2 TYR A 12 7.645 -11.054 11.970 1.00 14.43 H new ATOM 0 HE1 TYR A 12 4.619 -11.661 15.803 1.00 72.13 H new ATOM 0 HE2 TYR A 12 5.528 -9.828 12.065 1.00 35.45 H new ATOM 0 HH TYR A 12 3.698 -9.385 13.209 1.00 22.21 H new ATOM 204 N PHE A 13 11.557 -10.588 14.535 1.00 24.12 N ATOM 205 CA PHE A 13 12.137 -9.261 14.239 1.00 5.44 C ATOM 206 C PHE A 13 12.604 -9.253 12.765 1.00 14.01 C ATOM 207 O PHE A 13 13.700 -8.793 12.424 1.00 5.21 O ATOM 208 CB PHE A 13 13.285 -8.961 15.254 1.00 54.41 C ATOM 209 CG PHE A 13 13.749 -7.492 15.290 1.00 70.15 C ATOM 210 CD1 PHE A 13 12.982 -6.519 15.939 1.00 23.13 C ATOM 211 CD2 PHE A 13 14.932 -7.085 14.670 1.00 63.14 C ATOM 212 CE1 PHE A 13 13.381 -5.194 15.957 1.00 50.32 C ATOM 213 CE2 PHE A 13 15.333 -5.760 14.692 1.00 1.41 C ATOM 214 CZ PHE A 13 14.557 -4.814 15.334 1.00 62.42 C ATOM 0 H PHE A 13 12.250 -11.292 14.788 1.00 24.12 H new ATOM 0 HA PHE A 13 11.403 -8.464 14.356 1.00 5.44 H new ATOM 0 HB2 PHE A 13 12.952 -9.247 16.252 1.00 54.41 H new ATOM 0 HB3 PHE A 13 14.140 -9.591 15.010 1.00 54.41 H new ATOM 0 HD1 PHE A 13 12.065 -6.806 16.433 1.00 23.13 H new ATOM 0 HD2 PHE A 13 15.545 -7.817 14.164 1.00 63.14 H new ATOM 0 HE1 PHE A 13 12.773 -4.455 16.458 1.00 50.32 H new ATOM 0 HE2 PHE A 13 16.252 -5.466 14.207 1.00 1.41 H new ATOM 0 HZ PHE A 13 14.868 -3.780 15.350 1.00 62.42 H new ATOM 224 N GLN A 14 11.723 -9.756 11.882 1.00 31.13 N ATOM 225 CA GLN A 14 11.991 -9.883 10.442 1.00 4.53 C ATOM 226 C GLN A 14 11.693 -8.544 9.768 1.00 53.40 C ATOM 227 O GLN A 14 10.620 -8.327 9.190 1.00 53.41 O ATOM 228 CB GLN A 14 11.162 -11.057 9.845 1.00 53.20 C ATOM 229 CG GLN A 14 11.402 -12.400 10.568 1.00 32.14 C ATOM 230 CD GLN A 14 12.872 -12.850 10.553 1.00 24.50 C ATOM 231 OE1 GLN A 14 13.606 -12.607 9.592 1.00 61.22 O ATOM 232 NE2 GLN A 14 13.319 -13.485 11.626 1.00 64.20 N ATOM 0 H GLN A 14 10.797 -10.088 12.152 1.00 31.13 H new ATOM 0 HA GLN A 14 13.039 -10.123 10.264 1.00 4.53 H new ATOM 0 HB2 GLN A 14 10.102 -10.808 9.897 1.00 53.20 H new ATOM 0 HB3 GLN A 14 11.412 -11.170 8.790 1.00 53.20 H new ATOM 0 HG2 GLN A 14 11.068 -12.312 11.602 1.00 32.14 H new ATOM 0 HG3 GLN A 14 10.790 -13.170 10.099 1.00 32.14 H new ATOM 0 HE21 GLN A 14 12.690 -13.673 12.407 1.00 64.20 H new ATOM 0 HE22 GLN A 14 14.292 -13.786 11.672 1.00 64.20 H new ATOM 241 N SER A 15 12.640 -7.617 9.958 1.00 61.01 N ATOM 242 CA SER A 15 12.529 -6.228 9.533 1.00 43.32 C ATOM 243 C SER A 15 13.914 -5.730 9.103 1.00 41.43 C ATOM 244 O SER A 15 14.751 -5.390 9.942 1.00 32.42 O ATOM 245 CB SER A 15 11.959 -5.362 10.688 1.00 21.53 C ATOM 246 OG SER A 15 10.662 -5.806 11.081 1.00 23.55 O ATOM 0 H SER A 15 13.524 -7.823 10.423 1.00 61.01 H new ATOM 0 HA SER A 15 11.845 -6.149 8.688 1.00 43.32 H new ATOM 0 HB2 SER A 15 12.634 -5.404 11.543 1.00 21.53 H new ATOM 0 HB3 SER A 15 11.908 -4.320 10.372 1.00 21.53 H new ATOM 0 HG SER A 15 10.397 -5.352 11.908 1.00 23.55 H new ATOM 252 N HIS A 16 14.167 -5.785 7.796 1.00 4.32 N ATOM 253 CA HIS A 16 15.373 -5.232 7.159 1.00 41.42 C ATOM 254 C HIS A 16 15.036 -3.827 6.641 1.00 45.11 C ATOM 255 O HIS A 16 15.897 -2.944 6.615 1.00 52.15 O ATOM 256 CB HIS A 16 15.828 -6.151 5.995 1.00 61.51 C ATOM 257 CG HIS A 16 16.199 -7.548 6.435 1.00 51.01 C ATOM 258 ND1 HIS A 16 15.276 -8.560 6.598 1.00 40.42 N ATOM 259 CD2 HIS A 16 17.397 -8.089 6.768 1.00 21.32 C ATOM 260 CE1 HIS A 16 15.883 -9.652 7.010 1.00 50.41 C ATOM 261 NE2 HIS A 16 17.172 -9.400 7.118 1.00 13.44 N ATOM 0 H HIS A 16 13.529 -6.223 7.132 1.00 4.32 H new ATOM 0 HA HIS A 16 16.191 -5.174 7.877 1.00 41.42 H new ATOM 0 HB2 HIS A 16 15.028 -6.212 5.258 1.00 61.51 H new ATOM 0 HB3 HIS A 16 16.685 -5.696 5.498 1.00 61.51 H new ATOM 0 HD1 HIS A 16 14.274 -8.475 6.425 1.00 40.42 H new ATOM 0 HD2 HIS A 16 18.352 -7.584 6.760 1.00 21.32 H new ATOM 0 HE1 HIS A 16 15.405 -10.597 7.224 1.00 50.41 H new ATOM 270 N MET A 17 13.755 -3.670 6.234 1.00 71.25 N ATOM 271 CA MET A 17 13.142 -2.406 5.797 1.00 42.13 C ATOM 272 C MET A 17 13.849 -1.877 4.535 1.00 51.44 C ATOM 273 O MET A 17 14.844 -1.147 4.624 1.00 63.33 O ATOM 274 CB MET A 17 13.101 -1.378 6.979 1.00 34.35 C ATOM 275 CG MET A 17 12.143 -0.187 6.790 1.00 34.13 C ATOM 276 SD MET A 17 12.740 1.087 5.653 1.00 54.14 S ATOM 277 CE MET A 17 14.099 1.815 6.578 1.00 12.43 C ATOM 0 H MET A 17 13.101 -4.452 6.202 1.00 71.25 H new ATOM 0 HA MET A 17 12.104 -2.578 5.513 1.00 42.13 H new ATOM 0 HB2 MET A 17 12.819 -1.908 7.889 1.00 34.35 H new ATOM 0 HB3 MET A 17 14.108 -0.991 7.135 1.00 34.35 H new ATOM 0 HG2 MET A 17 11.186 -0.561 6.425 1.00 34.13 H new ATOM 0 HG3 MET A 17 11.957 0.270 7.762 1.00 34.13 H new ATOM 0 HE1 MET A 17 14.403 2.749 6.104 1.00 12.43 H new ATOM 0 HE2 MET A 17 13.778 2.014 7.600 1.00 12.43 H new ATOM 0 HE3 MET A 17 14.942 1.124 6.591 1.00 12.43 H new ATOM 287 N THR A 18 13.326 -2.294 3.356 1.00 75.20 N ATOM 288 CA THR A 18 13.950 -2.048 2.029 1.00 72.24 C ATOM 289 C THR A 18 14.195 -0.543 1.744 1.00 45.10 C ATOM 290 O THR A 18 15.082 -0.205 0.952 1.00 32.23 O ATOM 291 CB THR A 18 13.105 -2.694 0.878 1.00 44.22 C ATOM 292 OG1 THR A 18 13.735 -2.483 -0.400 1.00 31.33 O ATOM 293 CG2 THR A 18 11.666 -2.156 0.837 1.00 75.12 C ATOM 0 H THR A 18 12.451 -2.815 3.297 1.00 75.20 H new ATOM 0 HA THR A 18 14.928 -2.528 2.060 1.00 72.24 H new ATOM 0 HB THR A 18 13.058 -3.762 1.089 1.00 44.22 H new ATOM 0 HG1 THR A 18 13.192 -2.895 -1.104 1.00 31.33 H new ATOM 0 HG21 THR A 18 11.122 -2.634 0.023 1.00 75.12 H new ATOM 0 HG22 THR A 18 11.169 -2.373 1.783 1.00 75.12 H new ATOM 0 HG23 THR A 18 11.685 -1.078 0.677 1.00 75.12 H new ATOM 301 N ASP A 19 13.382 0.325 2.401 1.00 64.11 N ATOM 302 CA ASP A 19 13.569 1.788 2.464 1.00 13.14 C ATOM 303 C ASP A 19 13.170 2.494 1.150 1.00 34.04 C ATOM 304 O ASP A 19 12.185 3.239 1.131 1.00 53.01 O ATOM 305 CB ASP A 19 15.023 2.145 2.914 1.00 31.21 C ATOM 306 CG ASP A 19 15.280 3.651 3.097 1.00 5.13 C ATOM 307 OD1 ASP A 19 14.590 4.283 3.919 1.00 65.15 O ATOM 308 OD2 ASP A 19 16.186 4.203 2.447 1.00 4.45 O ATOM 0 H ASP A 19 12.558 0.012 2.914 1.00 64.11 H new ATOM 0 HA ASP A 19 12.886 2.171 3.223 1.00 13.14 H new ATOM 0 HB2 ASP A 19 15.235 1.636 3.854 1.00 31.21 H new ATOM 0 HB3 ASP A 19 15.725 1.756 2.176 1.00 31.21 H new ATOM 313 N GLU A 20 13.917 2.216 0.074 1.00 54.40 N ATOM 314 CA GLU A 20 13.810 2.896 -1.237 1.00 62.55 C ATOM 315 C GLU A 20 12.341 3.017 -1.739 1.00 4.01 C ATOM 316 O GLU A 20 11.772 4.120 -1.780 1.00 3.23 O ATOM 317 CB GLU A 20 14.694 2.134 -2.280 1.00 52.43 C ATOM 318 CG GLU A 20 15.299 2.989 -3.420 1.00 52.43 C ATOM 319 CD GLU A 20 14.269 3.643 -4.357 1.00 0.31 C ATOM 320 OE1 GLU A 20 13.815 2.992 -5.321 1.00 4.31 O ATOM 321 OE2 GLU A 20 13.913 4.821 -4.146 1.00 14.45 O ATOM 0 H GLU A 20 14.635 1.492 0.085 1.00 54.40 H new ATOM 0 HA GLU A 20 14.170 3.917 -1.115 1.00 62.55 H new ATOM 0 HB2 GLU A 20 15.511 1.648 -1.746 1.00 52.43 H new ATOM 0 HB3 GLU A 20 14.091 1.344 -2.728 1.00 52.43 H new ATOM 0 HG2 GLU A 20 15.916 3.772 -2.979 1.00 52.43 H new ATOM 0 HG3 GLU A 20 15.961 2.359 -4.015 1.00 52.43 H new ATOM 328 N LEU A 21 11.736 1.864 -2.092 1.00 52.02 N ATOM 329 CA LEU A 21 10.387 1.813 -2.705 1.00 24.24 C ATOM 330 C LEU A 21 9.275 2.159 -1.697 1.00 3.21 C ATOM 331 O LEU A 21 8.165 2.521 -2.098 1.00 54.02 O ATOM 332 CB LEU A 21 10.171 0.421 -3.390 1.00 23.42 C ATOM 333 CG LEU A 21 10.283 -0.875 -2.489 1.00 34.21 C ATOM 334 CD1 LEU A 21 8.965 -1.201 -1.742 1.00 70.30 C ATOM 335 CD2 LEU A 21 10.764 -2.103 -3.306 1.00 23.22 C ATOM 0 H LEU A 21 12.163 0.947 -1.963 1.00 52.02 H new ATOM 0 HA LEU A 21 10.326 2.582 -3.475 1.00 24.24 H new ATOM 0 HB2 LEU A 21 9.182 0.424 -3.849 1.00 23.42 H new ATOM 0 HB3 LEU A 21 10.897 0.330 -4.198 1.00 23.42 H new ATOM 0 HG LEU A 21 11.035 -0.650 -1.733 1.00 34.21 H new ATOM 0 HD11 LEU A 21 9.101 -2.099 -1.140 1.00 70.30 H new ATOM 0 HD12 LEU A 21 8.698 -0.366 -1.094 1.00 70.30 H new ATOM 0 HD13 LEU A 21 8.168 -1.367 -2.466 1.00 70.30 H new ATOM 0 HD21 LEU A 21 10.828 -2.973 -2.652 1.00 23.22 H new ATOM 0 HD22 LEU A 21 10.056 -2.305 -4.110 1.00 23.22 H new ATOM 0 HD23 LEU A 21 11.746 -1.895 -3.731 1.00 23.22 H new ATOM 347 N LEU A 22 9.598 2.065 -0.385 1.00 21.31 N ATOM 348 CA LEU A 22 8.636 2.324 0.703 1.00 70.13 C ATOM 349 C LEU A 22 8.200 3.793 0.708 1.00 60.24 C ATOM 350 O LEU A 22 7.002 4.087 0.799 1.00 4.44 O ATOM 351 CB LEU A 22 9.229 1.921 2.083 1.00 64.34 C ATOM 352 CG LEU A 22 9.534 0.402 2.281 1.00 62.43 C ATOM 353 CD1 LEU A 22 9.984 0.099 3.729 1.00 45.31 C ATOM 354 CD2 LEU A 22 8.330 -0.476 1.875 1.00 10.13 C ATOM 0 H LEU A 22 10.529 1.809 -0.056 1.00 21.31 H new ATOM 0 HA LEU A 22 7.755 1.708 0.523 1.00 70.13 H new ATOM 0 HB2 LEU A 22 10.152 2.479 2.236 1.00 64.34 H new ATOM 0 HB3 LEU A 22 8.533 2.236 2.861 1.00 64.34 H new ATOM 0 HG LEU A 22 10.362 0.150 1.619 1.00 62.43 H new ATOM 0 HD11 LEU A 22 10.188 -0.967 3.831 1.00 45.31 H new ATOM 0 HD12 LEU A 22 10.888 0.665 3.955 1.00 45.31 H new ATOM 0 HD13 LEU A 22 9.194 0.385 4.423 1.00 45.31 H new ATOM 0 HD21 LEU A 22 8.578 -1.527 2.026 1.00 10.13 H new ATOM 0 HD22 LEU A 22 7.467 -0.216 2.487 1.00 10.13 H new ATOM 0 HD23 LEU A 22 8.094 -0.306 0.824 1.00 10.13 H new ATOM 366 N GLU A 23 9.184 4.700 0.555 1.00 44.13 N ATOM 367 CA GLU A 23 8.940 6.152 0.509 1.00 41.50 C ATOM 368 C GLU A 23 7.935 6.499 -0.603 1.00 33.10 C ATOM 369 O GLU A 23 6.998 7.272 -0.386 1.00 54.42 O ATOM 370 CB GLU A 23 10.266 6.933 0.300 1.00 11.14 C ATOM 371 CG GLU A 23 10.072 8.448 0.089 1.00 44.21 C ATOM 372 CD GLU A 23 11.375 9.251 0.116 1.00 11.11 C ATOM 373 OE1 GLU A 23 11.697 9.846 1.163 1.00 32.41 O ATOM 374 OE2 GLU A 23 12.090 9.288 -0.900 1.00 23.21 O ATOM 0 H GLU A 23 10.167 4.446 0.460 1.00 44.13 H new ATOM 0 HA GLU A 23 8.515 6.450 1.467 1.00 41.50 H new ATOM 0 HB2 GLU A 23 10.909 6.776 1.166 1.00 11.14 H new ATOM 0 HB3 GLU A 23 10.788 6.520 -0.563 1.00 11.14 H new ATOM 0 HG2 GLU A 23 9.576 8.611 -0.868 1.00 44.21 H new ATOM 0 HG3 GLU A 23 9.405 8.830 0.862 1.00 44.21 H new ATOM 381 N ARG A 24 8.114 5.844 -1.759 1.00 2.12 N ATOM 382 CA ARG A 24 7.280 6.055 -2.956 1.00 73.00 C ATOM 383 C ARG A 24 5.806 5.691 -2.672 1.00 0.25 C ATOM 384 O ARG A 24 4.887 6.363 -3.161 1.00 4.24 O ATOM 385 CB ARG A 24 7.835 5.223 -4.150 1.00 23.01 C ATOM 386 CG ARG A 24 9.337 5.464 -4.445 1.00 23.21 C ATOM 387 CD ARG A 24 9.855 4.719 -5.696 1.00 31.32 C ATOM 388 NE ARG A 24 11.314 4.890 -5.876 1.00 20.21 N ATOM 389 CZ ARG A 24 11.918 5.721 -6.748 1.00 75.34 C ATOM 390 NH1 ARG A 24 11.217 6.509 -7.561 1.00 33.51 N ATOM 391 NH2 ARG A 24 13.240 5.769 -6.780 1.00 74.32 N ATOM 0 H ARG A 24 8.847 5.147 -1.893 1.00 2.12 H new ATOM 0 HA ARG A 24 7.317 7.112 -3.221 1.00 73.00 H new ATOM 0 HB2 ARG A 24 7.682 4.164 -3.943 1.00 23.01 H new ATOM 0 HB3 ARG A 24 7.258 5.460 -5.044 1.00 23.01 H new ATOM 0 HG2 ARG A 24 9.505 6.533 -4.575 1.00 23.21 H new ATOM 0 HG3 ARG A 24 9.922 5.152 -3.580 1.00 23.21 H new ATOM 0 HD2 ARG A 24 9.622 3.658 -5.609 1.00 31.32 H new ATOM 0 HD3 ARG A 24 9.335 5.088 -6.580 1.00 31.32 H new ATOM 0 HE ARG A 24 11.921 4.324 -5.283 1.00 20.21 H new ATOM 0 HH11 ARG A 24 10.198 6.493 -7.533 1.00 33.51 H new ATOM 0 HH12 ARG A 24 11.700 7.129 -8.212 1.00 33.51 H new ATOM 0 HH21 ARG A 24 13.787 5.182 -6.150 1.00 74.32 H new ATOM 0 HH22 ARG A 24 13.712 6.393 -7.434 1.00 74.32 H new ATOM 405 N LEU A 25 5.605 4.660 -1.829 1.00 73.51 N ATOM 406 CA LEU A 25 4.267 4.158 -1.469 1.00 32.45 C ATOM 407 C LEU A 25 3.608 5.126 -0.475 1.00 24.44 C ATOM 408 O LEU A 25 2.419 5.462 -0.605 1.00 4.55 O ATOM 409 CB LEU A 25 4.402 2.728 -0.868 1.00 75.41 C ATOM 410 CG LEU A 25 5.029 1.658 -1.817 1.00 75.55 C ATOM 411 CD1 LEU A 25 5.320 0.336 -1.066 1.00 52.05 C ATOM 412 CD2 LEU A 25 4.138 1.427 -3.065 1.00 13.52 C ATOM 0 H LEU A 25 6.367 4.152 -1.379 1.00 73.51 H new ATOM 0 HA LEU A 25 3.633 4.099 -2.354 1.00 32.45 H new ATOM 0 HB2 LEU A 25 5.009 2.788 0.035 1.00 75.41 H new ATOM 0 HB3 LEU A 25 3.413 2.385 -0.565 1.00 75.41 H new ATOM 0 HG LEU A 25 5.986 2.044 -2.167 1.00 75.55 H new ATOM 0 HD11 LEU A 25 5.756 -0.386 -1.756 1.00 52.05 H new ATOM 0 HD12 LEU A 25 6.019 0.527 -0.251 1.00 52.05 H new ATOM 0 HD13 LEU A 25 4.391 -0.064 -0.661 1.00 52.05 H new ATOM 0 HD21 LEU A 25 4.599 0.677 -3.708 1.00 13.52 H new ATOM 0 HD22 LEU A 25 3.154 1.079 -2.750 1.00 13.52 H new ATOM 0 HD23 LEU A 25 4.033 2.362 -3.616 1.00 13.52 H new ATOM 424 N ARG A 26 4.428 5.595 0.490 1.00 3.50 N ATOM 425 CA ARG A 26 4.019 6.554 1.532 1.00 43.33 C ATOM 426 C ARG A 26 3.433 7.824 0.916 1.00 63.44 C ATOM 427 O ARG A 26 2.394 8.296 1.357 1.00 42.55 O ATOM 428 CB ARG A 26 5.228 6.920 2.439 1.00 3.12 C ATOM 429 CG ARG A 26 4.865 7.802 3.649 1.00 53.35 C ATOM 430 CD ARG A 26 6.085 8.176 4.496 1.00 10.14 C ATOM 431 NE ARG A 26 6.748 6.989 5.081 1.00 34.24 N ATOM 432 CZ ARG A 26 8.074 6.859 5.268 1.00 5.21 C ATOM 433 NH1 ARG A 26 8.903 7.835 4.918 1.00 13.00 N ATOM 434 NH2 ARG A 26 8.562 5.753 5.814 1.00 72.12 N ATOM 0 H ARG A 26 5.405 5.313 0.566 1.00 3.50 H new ATOM 0 HA ARG A 26 3.248 6.077 2.137 1.00 43.33 H new ATOM 0 HB2 ARG A 26 5.689 6.000 2.799 1.00 3.12 H new ATOM 0 HB3 ARG A 26 5.976 7.437 1.838 1.00 3.12 H new ATOM 0 HG2 ARG A 26 4.380 8.712 3.297 1.00 53.35 H new ATOM 0 HG3 ARG A 26 4.142 7.276 4.273 1.00 53.35 H new ATOM 0 HD2 ARG A 26 6.799 8.721 3.879 1.00 10.14 H new ATOM 0 HD3 ARG A 26 5.776 8.848 5.296 1.00 10.14 H new ATOM 0 HE ARG A 26 6.154 6.210 5.364 1.00 34.24 H new ATOM 0 HH11 ARG A 26 8.536 8.692 4.504 1.00 13.00 H new ATOM 0 HH12 ARG A 26 9.907 7.728 5.063 1.00 13.00 H new ATOM 0 HH21 ARG A 26 7.932 5.001 6.092 1.00 72.12 H new ATOM 0 HH22 ARG A 26 9.567 5.655 5.956 1.00 72.12 H new ATOM 448 N GLN A 27 4.107 8.337 -0.125 1.00 2.14 N ATOM 449 CA GLN A 27 3.712 9.591 -0.795 1.00 44.23 C ATOM 450 C GLN A 27 2.285 9.501 -1.370 1.00 74.33 C ATOM 451 O GLN A 27 1.517 10.467 -1.281 1.00 4.21 O ATOM 452 CB GLN A 27 4.721 9.955 -1.914 1.00 5.23 C ATOM 453 CG GLN A 27 6.181 10.126 -1.446 1.00 21.44 C ATOM 454 CD GLN A 27 6.376 11.235 -0.409 1.00 2.24 C ATOM 455 OE1 GLN A 27 6.649 12.384 -0.757 1.00 13.23 O ATOM 456 NE2 GLN A 27 6.227 10.895 0.867 1.00 51.43 N ATOM 0 H GLN A 27 4.937 7.899 -0.526 1.00 2.14 H new ATOM 0 HA GLN A 27 3.721 10.380 -0.044 1.00 44.23 H new ATOM 0 HB2 GLN A 27 4.689 9.178 -2.678 1.00 5.23 H new ATOM 0 HB3 GLN A 27 4.396 10.881 -2.388 1.00 5.23 H new ATOM 0 HG2 GLN A 27 6.530 9.183 -1.025 1.00 21.44 H new ATOM 0 HG3 GLN A 27 6.807 10.339 -2.313 1.00 21.44 H new ATOM 0 HE21 GLN A 27 6.001 9.932 1.115 1.00 51.43 H new ATOM 0 HE22 GLN A 27 6.339 11.597 1.598 1.00 51.43 H new ATOM 465 N LEU A 28 1.934 8.326 -1.932 1.00 13.12 N ATOM 466 CA LEU A 28 0.595 8.093 -2.505 1.00 11.43 C ATOM 467 C LEU A 28 -0.472 8.030 -1.394 1.00 71.20 C ATOM 468 O LEU A 28 -1.548 8.623 -1.517 1.00 65.24 O ATOM 469 CB LEU A 28 0.550 6.786 -3.338 1.00 34.22 C ATOM 470 CG LEU A 28 -0.841 6.474 -3.985 1.00 34.21 C ATOM 471 CD1 LEU A 28 -1.213 7.503 -5.076 1.00 25.13 C ATOM 472 CD2 LEU A 28 -0.912 5.036 -4.515 1.00 54.23 C ATOM 0 H LEU A 28 2.561 7.524 -2.001 1.00 13.12 H new ATOM 0 HA LEU A 28 0.379 8.932 -3.166 1.00 11.43 H new ATOM 0 HB2 LEU A 28 1.298 6.848 -4.128 1.00 34.22 H new ATOM 0 HB3 LEU A 28 0.833 5.952 -2.696 1.00 34.22 H new ATOM 0 HG LEU A 28 -1.586 6.563 -3.194 1.00 34.21 H new ATOM 0 HD11 LEU A 28 -2.185 7.250 -5.499 1.00 25.13 H new ATOM 0 HD12 LEU A 28 -1.257 8.499 -4.636 1.00 25.13 H new ATOM 0 HD13 LEU A 28 -0.459 7.487 -5.863 1.00 25.13 H new ATOM 0 HD21 LEU A 28 -1.893 4.859 -4.956 1.00 54.23 H new ATOM 0 HD22 LEU A 28 -0.142 4.889 -5.272 1.00 54.23 H new ATOM 0 HD23 LEU A 28 -0.752 4.337 -3.694 1.00 54.23 H new ATOM 484 N PHE A 29 -0.162 7.303 -0.315 1.00 23.34 N ATOM 485 CA PHE A 29 -1.080 7.157 0.829 1.00 41.31 C ATOM 486 C PHE A 29 -1.327 8.528 1.516 1.00 21.15 C ATOM 487 O PHE A 29 -2.442 8.816 1.967 1.00 75.35 O ATOM 488 CB PHE A 29 -0.522 6.131 1.842 1.00 41.11 C ATOM 489 CG PHE A 29 -0.227 4.726 1.299 1.00 25.12 C ATOM 490 CD1 PHE A 29 -1.041 4.133 0.332 1.00 20.11 C ATOM 491 CD2 PHE A 29 0.878 3.998 1.758 1.00 34.05 C ATOM 492 CE1 PHE A 29 -0.764 2.866 -0.148 1.00 74.11 C ATOM 493 CE2 PHE A 29 1.152 2.729 1.272 1.00 1.41 C ATOM 494 CZ PHE A 29 0.333 2.165 0.316 1.00 23.45 C ATOM 0 H PHE A 29 0.720 6.803 -0.206 1.00 23.34 H new ATOM 0 HA PHE A 29 -2.036 6.788 0.456 1.00 41.31 H new ATOM 0 HB2 PHE A 29 0.398 6.534 2.264 1.00 41.11 H new ATOM 0 HB3 PHE A 29 -1.235 6.038 2.661 1.00 41.11 H new ATOM 0 HD1 PHE A 29 -1.898 4.671 -0.046 1.00 20.11 H new ATOM 0 HD2 PHE A 29 1.528 4.433 2.503 1.00 34.05 H new ATOM 0 HE1 PHE A 29 -1.410 2.421 -0.891 1.00 74.11 H new ATOM 0 HE2 PHE A 29 2.007 2.182 1.642 1.00 1.41 H new ATOM 0 HZ PHE A 29 0.548 1.179 -0.069 1.00 23.45 H new ATOM 504 N GLU A 30 -0.269 9.368 1.572 1.00 53.41 N ATOM 505 CA GLU A 30 -0.346 10.744 2.112 1.00 33.41 C ATOM 506 C GLU A 30 -1.114 11.665 1.145 1.00 12.45 C ATOM 507 O GLU A 30 -1.754 12.629 1.577 1.00 21.43 O ATOM 508 CB GLU A 30 1.070 11.324 2.404 1.00 50.44 C ATOM 509 CG GLU A 30 1.850 10.592 3.517 1.00 22.34 C ATOM 510 CD GLU A 30 3.189 11.267 3.866 1.00 2.03 C ATOM 511 OE1 GLU A 30 3.266 11.961 4.911 1.00 51.12 O ATOM 512 OE2 GLU A 30 4.164 11.132 3.088 1.00 45.41 O ATOM 0 H GLU A 30 0.662 9.111 1.244 1.00 53.41 H new ATOM 0 HA GLU A 30 -0.888 10.696 3.056 1.00 33.41 H new ATOM 0 HB2 GLU A 30 1.657 11.292 1.486 1.00 50.44 H new ATOM 0 HB3 GLU A 30 0.968 12.373 2.681 1.00 50.44 H new ATOM 0 HG2 GLU A 30 1.231 10.543 4.413 1.00 22.34 H new ATOM 0 HG3 GLU A 30 2.039 9.565 3.204 1.00 22.34 H new ATOM 519 N GLU A 31 -1.056 11.346 -0.153 1.00 61.52 N ATOM 520 CA GLU A 31 -1.819 12.058 -1.195 1.00 0.42 C ATOM 521 C GLU A 31 -3.338 11.857 -0.966 1.00 52.11 C ATOM 522 O GLU A 31 -4.138 12.767 -1.173 1.00 3.13 O ATOM 523 CB GLU A 31 -1.397 11.541 -2.595 1.00 1.12 C ATOM 524 CG GLU A 31 -1.967 12.329 -3.785 1.00 14.42 C ATOM 525 CD GLU A 31 -1.441 13.772 -3.860 1.00 11.14 C ATOM 526 OE1 GLU A 31 -2.171 14.710 -3.490 1.00 70.44 O ATOM 527 OE2 GLU A 31 -0.285 13.967 -4.269 1.00 61.22 O ATOM 0 H GLU A 31 -0.479 10.587 -0.515 1.00 61.52 H new ATOM 0 HA GLU A 31 -1.604 13.125 -1.140 1.00 0.42 H new ATOM 0 HB2 GLU A 31 -0.309 11.557 -2.657 1.00 1.12 H new ATOM 0 HB3 GLU A 31 -1.706 10.500 -2.688 1.00 1.12 H new ATOM 0 HG2 GLU A 31 -1.718 11.809 -4.710 1.00 14.42 H new ATOM 0 HG3 GLU A 31 -3.054 12.348 -3.713 1.00 14.42 H new ATOM 534 N LEU A 32 -3.689 10.641 -0.518 1.00 42.23 N ATOM 535 CA LEU A 32 -5.074 10.251 -0.158 1.00 42.25 C ATOM 536 C LEU A 32 -5.482 10.805 1.223 1.00 51.21 C ATOM 537 O LEU A 32 -6.665 11.106 1.470 1.00 24.40 O ATOM 538 CB LEU A 32 -5.165 8.703 -0.173 1.00 53.41 C ATOM 539 CG LEU A 32 -4.744 8.037 -1.518 1.00 64.12 C ATOM 540 CD1 LEU A 32 -4.740 6.494 -1.421 1.00 32.21 C ATOM 541 CD2 LEU A 32 -5.627 8.549 -2.671 1.00 12.14 C ATOM 0 H LEU A 32 -3.014 9.886 -0.392 1.00 42.23 H new ATOM 0 HA LEU A 32 -5.765 10.677 -0.885 1.00 42.25 H new ATOM 0 HB2 LEU A 32 -4.535 8.308 0.624 1.00 53.41 H new ATOM 0 HB3 LEU A 32 -6.190 8.411 0.056 1.00 53.41 H new ATOM 0 HG LEU A 32 -3.716 8.328 -1.734 1.00 64.12 H new ATOM 0 HD11 LEU A 32 -4.441 6.070 -2.380 1.00 32.21 H new ATOM 0 HD12 LEU A 32 -4.037 6.180 -0.650 1.00 32.21 H new ATOM 0 HD13 LEU A 32 -5.740 6.143 -1.165 1.00 32.21 H new ATOM 0 HD21 LEU A 32 -5.320 8.074 -3.603 1.00 12.14 H new ATOM 0 HD22 LEU A 32 -6.670 8.306 -2.466 1.00 12.14 H new ATOM 0 HD23 LEU A 32 -5.517 9.630 -2.761 1.00 12.14 H new ATOM 553 N HIS A 33 -4.471 10.955 2.099 1.00 50.41 N ATOM 554 CA HIS A 33 -4.629 11.422 3.499 1.00 22.14 C ATOM 555 C HIS A 33 -5.332 12.805 3.601 1.00 40.23 C ATOM 556 O HIS A 33 -5.876 13.133 4.662 1.00 12.44 O ATOM 557 CB HIS A 33 -3.237 11.454 4.187 1.00 41.53 C ATOM 558 CG HIS A 33 -3.242 11.910 5.618 1.00 35.35 C ATOM 559 ND1 HIS A 33 -3.018 13.214 5.991 1.00 11.43 N ATOM 560 CD2 HIS A 33 -3.487 11.238 6.757 1.00 61.31 C ATOM 561 CE1 HIS A 33 -3.136 13.324 7.292 1.00 51.23 C ATOM 562 NE2 HIS A 33 -3.421 12.137 7.785 1.00 20.00 N ATOM 0 H HIS A 33 -3.502 10.753 1.854 1.00 50.41 H new ATOM 0 HA HIS A 33 -5.281 10.717 4.014 1.00 22.14 H new ATOM 0 HB2 HIS A 33 -2.804 10.455 4.142 1.00 41.53 H new ATOM 0 HB3 HIS A 33 -2.582 12.111 3.615 1.00 41.53 H new ATOM 0 HD1 HIS A 33 -2.794 13.978 5.354 1.00 11.43 H new ATOM 0 HD2 HIS A 33 -3.697 10.182 6.844 1.00 61.31 H new ATOM 0 HE1 HIS A 33 -3.019 14.234 7.862 1.00 51.23 H new ATOM 571 N GLU A 34 -5.326 13.590 2.500 1.00 31.13 N ATOM 572 CA GLU A 34 -6.028 14.903 2.428 1.00 2.00 C ATOM 573 C GLU A 34 -7.521 14.787 2.825 1.00 53.31 C ATOM 574 O GLU A 34 -8.069 15.659 3.507 1.00 11.54 O ATOM 575 CB GLU A 34 -5.922 15.506 0.997 1.00 64.02 C ATOM 576 CG GLU A 34 -6.542 14.633 -0.116 1.00 75.33 C ATOM 577 CD GLU A 34 -6.633 15.333 -1.478 1.00 30.51 C ATOM 578 OE1 GLU A 34 -7.601 16.087 -1.699 1.00 55.40 O ATOM 579 OE2 GLU A 34 -5.751 15.136 -2.329 1.00 31.13 O ATOM 0 H GLU A 34 -4.840 13.339 1.639 1.00 31.13 H new ATOM 0 HA GLU A 34 -5.535 15.563 3.142 1.00 2.00 H new ATOM 0 HB2 GLU A 34 -6.410 16.481 0.991 1.00 64.02 H new ATOM 0 HB3 GLU A 34 -4.870 15.675 0.765 1.00 64.02 H new ATOM 0 HG2 GLU A 34 -5.949 13.725 -0.224 1.00 75.33 H new ATOM 0 HG3 GLU A 34 -7.542 14.326 0.191 1.00 75.33 H new ATOM 586 N ARG A 35 -8.156 13.697 2.372 1.00 54.41 N ATOM 587 CA ARG A 35 -9.569 13.389 2.627 1.00 61.21 C ATOM 588 C ARG A 35 -9.694 12.073 3.420 1.00 41.42 C ATOM 589 O ARG A 35 -10.798 11.629 3.744 1.00 54.42 O ATOM 590 CB ARG A 35 -10.323 13.364 1.272 1.00 35.22 C ATOM 591 CG ARG A 35 -9.779 12.350 0.236 1.00 31.42 C ATOM 592 CD ARG A 35 -9.767 12.896 -1.205 1.00 42.23 C ATOM 593 NE ARG A 35 -11.090 13.384 -1.650 1.00 15.11 N ATOM 594 CZ ARG A 35 -11.354 14.629 -2.110 1.00 44.43 C ATOM 595 NH1 ARG A 35 -10.389 15.556 -2.197 1.00 11.14 N ATOM 596 NH2 ARG A 35 -12.588 14.931 -2.488 1.00 51.34 N ATOM 0 H ARG A 35 -7.690 12.989 1.805 1.00 54.41 H new ATOM 0 HA ARG A 35 -10.029 14.158 3.248 1.00 61.21 H new ATOM 0 HB2 ARG A 35 -11.372 13.138 1.462 1.00 35.22 H new ATOM 0 HB3 ARG A 35 -10.286 14.362 0.835 1.00 35.22 H new ATOM 0 HG2 ARG A 35 -8.766 12.063 0.517 1.00 31.42 H new ATOM 0 HG3 ARG A 35 -10.387 11.446 0.269 1.00 31.42 H new ATOM 0 HD2 ARG A 35 -9.044 13.709 -1.273 1.00 42.23 H new ATOM 0 HD3 ARG A 35 -9.429 12.111 -1.882 1.00 42.23 H new ATOM 0 HE ARG A 35 -11.869 12.727 -1.607 1.00 15.11 H new ATOM 0 HH11 ARG A 35 -9.436 15.328 -1.914 1.00 11.14 H new ATOM 0 HH12 ARG A 35 -10.608 16.489 -2.546 1.00 11.14 H new ATOM 0 HH21 ARG A 35 -13.325 14.229 -2.430 1.00 51.34 H new ATOM 0 HH22 ARG A 35 -12.800 15.866 -2.837 1.00 51.34 H new ATOM 610 N GLY A 36 -8.529 11.459 3.713 1.00 51.12 N ATOM 611 CA GLY A 36 -8.431 10.280 4.577 1.00 73.33 C ATOM 612 C GLY A 36 -8.540 8.990 3.795 1.00 11.33 C ATOM 613 O GLY A 36 -7.568 8.230 3.697 1.00 62.33 O ATOM 0 H GLY A 36 -7.629 11.774 3.351 1.00 51.12 H new ATOM 0 HA2 GLY A 36 -7.481 10.300 5.111 1.00 73.33 H new ATOM 0 HA3 GLY A 36 -9.220 10.315 5.329 1.00 73.33 H new ATOM 617 N THR A 37 -9.751 8.782 3.239 1.00 21.42 N ATOM 618 CA THR A 37 -10.170 7.588 2.467 1.00 5.20 C ATOM 619 C THR A 37 -9.883 6.231 3.155 1.00 2.33 C ATOM 620 O THR A 37 -9.238 6.143 4.208 1.00 0.31 O ATOM 621 CB THR A 37 -9.615 7.592 0.989 1.00 51.40 C ATOM 622 OG1 THR A 37 -8.180 7.663 0.955 1.00 14.22 O ATOM 623 CG2 THR A 37 -10.193 8.757 0.184 1.00 33.10 C ATOM 0 H THR A 37 -10.499 9.471 3.318 1.00 21.42 H new ATOM 0 HA THR A 37 -11.256 7.679 2.429 1.00 5.20 H new ATOM 0 HB THR A 37 -9.928 6.650 0.539 1.00 51.40 H new ATOM 0 HG1 THR A 37 -7.832 7.698 1.871 1.00 14.22 H new ATOM 0 HG21 THR A 37 -9.792 8.733 -0.829 1.00 33.10 H new ATOM 0 HG22 THR A 37 -11.279 8.670 0.147 1.00 33.10 H new ATOM 0 HG23 THR A 37 -9.920 9.699 0.660 1.00 33.10 H new ATOM 631 N GLU A 38 -10.424 5.172 2.550 1.00 1.13 N ATOM 632 CA GLU A 38 -10.219 3.788 2.994 1.00 60.35 C ATOM 633 C GLU A 38 -9.281 3.073 2.009 1.00 34.11 C ATOM 634 O GLU A 38 -9.672 2.727 0.892 1.00 64.22 O ATOM 635 CB GLU A 38 -11.590 3.076 3.152 1.00 71.45 C ATOM 636 CG GLU A 38 -12.541 3.152 1.938 1.00 41.25 C ATOM 637 CD GLU A 38 -13.939 2.600 2.248 1.00 72.51 C ATOM 638 OE1 GLU A 38 -14.063 1.378 2.455 1.00 72.45 O ATOM 639 OE2 GLU A 38 -14.908 3.384 2.319 1.00 32.15 O ATOM 0 H GLU A 38 -11.024 5.250 1.729 1.00 1.13 H new ATOM 0 HA GLU A 38 -9.740 3.766 3.973 1.00 60.35 H new ATOM 0 HB2 GLU A 38 -11.407 2.026 3.378 1.00 71.45 H new ATOM 0 HB3 GLU A 38 -12.101 3.504 4.015 1.00 71.45 H new ATOM 0 HG2 GLU A 38 -12.628 4.189 1.613 1.00 41.25 H new ATOM 0 HG3 GLU A 38 -12.110 2.593 1.108 1.00 41.25 H new ATOM 646 N ILE A 39 -8.026 2.870 2.434 1.00 55.00 N ATOM 647 CA ILE A 39 -6.970 2.355 1.566 1.00 64.13 C ATOM 648 C ILE A 39 -6.867 0.825 1.730 1.00 12.24 C ATOM 649 O ILE A 39 -6.475 0.319 2.791 1.00 43.20 O ATOM 650 CB ILE A 39 -5.583 3.027 1.891 1.00 35.23 C ATOM 651 CG1 ILE A 39 -5.713 4.591 1.948 1.00 2.43 C ATOM 652 CG2 ILE A 39 -4.532 2.601 0.839 1.00 21.42 C ATOM 653 CD1 ILE A 39 -4.454 5.324 2.396 1.00 21.54 C ATOM 0 H ILE A 39 -7.720 3.059 3.388 1.00 55.00 H new ATOM 0 HA ILE A 39 -7.225 2.597 0.534 1.00 64.13 H new ATOM 0 HB ILE A 39 -5.255 2.687 2.873 1.00 35.23 H new ATOM 0 HG12 ILE A 39 -5.995 4.954 0.959 1.00 2.43 H new ATOM 0 HG13 ILE A 39 -6.527 4.849 2.626 1.00 2.43 H new ATOM 0 HG21 ILE A 39 -3.575 3.070 1.070 1.00 21.42 H new ATOM 0 HG22 ILE A 39 -4.419 1.517 0.856 1.00 21.42 H new ATOM 0 HG23 ILE A 39 -4.860 2.916 -0.152 1.00 21.42 H new ATOM 0 HD11 ILE A 39 -4.641 6.398 2.404 1.00 21.54 H new ATOM 0 HD12 ILE A 39 -4.180 4.996 3.399 1.00 21.54 H new ATOM 0 HD13 ILE A 39 -3.639 5.103 1.706 1.00 21.54 H new ATOM 665 N VAL A 40 -7.270 0.113 0.671 1.00 44.01 N ATOM 666 CA VAL A 40 -7.171 -1.339 0.567 1.00 3.32 C ATOM 667 C VAL A 40 -5.978 -1.665 -0.343 1.00 61.13 C ATOM 668 O VAL A 40 -6.049 -1.486 -1.565 1.00 21.32 O ATOM 669 CB VAL A 40 -8.491 -1.970 -0.028 1.00 3.11 C ATOM 670 CG1 VAL A 40 -8.408 -3.517 -0.073 1.00 32.44 C ATOM 671 CG2 VAL A 40 -9.737 -1.493 0.756 1.00 53.12 C ATOM 0 H VAL A 40 -7.683 0.546 -0.155 1.00 44.01 H new ATOM 0 HA VAL A 40 -7.031 -1.763 1.561 1.00 3.32 H new ATOM 0 HB VAL A 40 -8.592 -1.621 -1.056 1.00 3.11 H new ATOM 0 HG11 VAL A 40 -9.332 -3.919 -0.488 1.00 32.44 H new ATOM 0 HG12 VAL A 40 -7.568 -3.818 -0.699 1.00 32.44 H new ATOM 0 HG13 VAL A 40 -8.265 -3.903 0.936 1.00 32.44 H new ATOM 0 HG21 VAL A 40 -10.632 -1.942 0.325 1.00 53.12 H new ATOM 0 HG22 VAL A 40 -9.647 -1.793 1.800 1.00 53.12 H new ATOM 0 HG23 VAL A 40 -9.811 -0.407 0.695 1.00 53.12 H new ATOM 681 N VAL A 41 -4.881 -2.110 0.267 1.00 43.42 N ATOM 682 CA VAL A 41 -3.647 -2.447 -0.442 1.00 33.11 C ATOM 683 C VAL A 41 -3.639 -3.948 -0.736 1.00 41.31 C ATOM 684 O VAL A 41 -3.656 -4.768 0.181 1.00 5.31 O ATOM 685 CB VAL A 41 -2.391 -2.038 0.405 1.00 62.24 C ATOM 686 CG1 VAL A 41 -1.076 -2.371 -0.328 1.00 0.51 C ATOM 687 CG2 VAL A 41 -2.459 -0.544 0.779 1.00 61.31 C ATOM 0 H VAL A 41 -4.823 -2.248 1.276 1.00 43.42 H new ATOM 0 HA VAL A 41 -3.604 -1.894 -1.380 1.00 33.11 H new ATOM 0 HB VAL A 41 -2.401 -2.624 1.324 1.00 62.24 H new ATOM 0 HG11 VAL A 41 -0.229 -2.073 0.290 1.00 0.51 H new ATOM 0 HG12 VAL A 41 -1.027 -3.443 -0.518 1.00 0.51 H new ATOM 0 HG13 VAL A 41 -1.041 -1.833 -1.275 1.00 0.51 H new ATOM 0 HG21 VAL A 41 -1.581 -0.276 1.366 1.00 61.31 H new ATOM 0 HG22 VAL A 41 -2.486 0.058 -0.130 1.00 61.31 H new ATOM 0 HG23 VAL A 41 -3.359 -0.356 1.365 1.00 61.31 H new ATOM 697 N GLU A 42 -3.645 -4.287 -2.022 1.00 63.21 N ATOM 698 CA GLU A 42 -3.706 -5.665 -2.493 1.00 74.54 C ATOM 699 C GLU A 42 -2.360 -6.040 -3.142 1.00 72.00 C ATOM 700 O GLU A 42 -2.049 -5.594 -4.249 1.00 44.44 O ATOM 701 CB GLU A 42 -4.884 -5.779 -3.491 1.00 40.23 C ATOM 702 CG GLU A 42 -5.136 -7.189 -4.039 1.00 31.13 C ATOM 703 CD GLU A 42 -6.352 -7.247 -4.975 1.00 31.11 C ATOM 704 OE1 GLU A 42 -7.436 -7.695 -4.549 1.00 60.13 O ATOM 705 OE2 GLU A 42 -6.229 -6.833 -6.139 1.00 33.33 O ATOM 0 H GLU A 42 -3.607 -3.601 -2.776 1.00 63.21 H new ATOM 0 HA GLU A 42 -3.877 -6.360 -1.671 1.00 74.54 H new ATOM 0 HB2 GLU A 42 -5.792 -5.429 -3.000 1.00 40.23 H new ATOM 0 HB3 GLU A 42 -4.696 -5.108 -4.329 1.00 40.23 H new ATOM 0 HG2 GLU A 42 -4.251 -7.530 -4.576 1.00 31.13 H new ATOM 0 HG3 GLU A 42 -5.289 -7.877 -3.207 1.00 31.13 H new ATOM 712 N VAL A 43 -1.573 -6.871 -2.443 1.00 3.04 N ATOM 713 CA VAL A 43 -0.218 -7.243 -2.863 1.00 60.30 C ATOM 714 C VAL A 43 -0.260 -8.599 -3.602 1.00 15.23 C ATOM 715 O VAL A 43 -0.436 -9.648 -2.993 1.00 31.52 O ATOM 716 CB VAL A 43 0.755 -7.296 -1.620 1.00 3.33 C ATOM 717 CG1 VAL A 43 2.207 -7.585 -2.047 1.00 54.02 C ATOM 718 CG2 VAL A 43 0.669 -5.991 -0.794 1.00 45.20 C ATOM 0 H VAL A 43 -1.862 -7.305 -1.566 1.00 3.04 H new ATOM 0 HA VAL A 43 0.167 -6.487 -3.547 1.00 60.30 H new ATOM 0 HB VAL A 43 0.431 -8.121 -0.986 1.00 3.33 H new ATOM 0 HG11 VAL A 43 2.847 -7.614 -1.165 1.00 54.02 H new ATOM 0 HG12 VAL A 43 2.251 -8.546 -2.559 1.00 54.02 H new ATOM 0 HG13 VAL A 43 2.552 -6.800 -2.720 1.00 54.02 H new ATOM 0 HG21 VAL A 43 1.348 -6.053 0.056 1.00 45.20 H new ATOM 0 HG22 VAL A 43 0.949 -5.144 -1.421 1.00 45.20 H new ATOM 0 HG23 VAL A 43 -0.351 -5.855 -0.434 1.00 45.20 H new ATOM 728 N HIS A 44 -0.117 -8.550 -4.928 1.00 51.13 N ATOM 729 CA HIS A 44 -0.129 -9.735 -5.793 1.00 44.12 C ATOM 730 C HIS A 44 1.285 -10.314 -5.877 1.00 32.22 C ATOM 731 O HIS A 44 2.165 -9.710 -6.486 1.00 72.33 O ATOM 732 CB HIS A 44 -0.621 -9.370 -7.218 1.00 22.41 C ATOM 733 CG HIS A 44 -2.057 -8.938 -7.321 1.00 43.33 C ATOM 734 ND1 HIS A 44 -2.562 -8.251 -8.407 1.00 62.00 N ATOM 735 CD2 HIS A 44 -3.107 -9.155 -6.505 1.00 3.31 C ATOM 736 CE1 HIS A 44 -3.857 -8.069 -8.250 1.00 31.21 C ATOM 737 NE2 HIS A 44 -4.209 -8.610 -7.107 1.00 4.31 N ATOM 0 H HIS A 44 0.012 -7.677 -5.439 1.00 51.13 H new ATOM 0 HA HIS A 44 -0.811 -10.472 -5.367 1.00 44.12 H new ATOM 0 HB2 HIS A 44 0.009 -8.569 -7.606 1.00 22.41 H new ATOM 0 HB3 HIS A 44 -0.473 -10.234 -7.866 1.00 22.41 H new ATOM 0 HD1 HIS A 44 -2.016 -7.933 -9.208 1.00 62.00 H new ATOM 0 HD2 HIS A 44 -3.084 -9.664 -5.553 1.00 3.31 H new ATOM 0 HE1 HIS A 44 -4.515 -7.563 -8.941 1.00 31.21 H new ATOM 746 N ILE A 45 1.494 -11.464 -5.230 1.00 21.13 N ATOM 747 CA ILE A 45 2.764 -12.196 -5.246 1.00 40.30 C ATOM 748 C ILE A 45 2.502 -13.647 -5.658 1.00 73.23 C ATOM 749 O ILE A 45 1.673 -14.331 -5.040 1.00 65.43 O ATOM 750 CB ILE A 45 3.482 -12.114 -3.837 1.00 40.34 C ATOM 751 CG1 ILE A 45 4.009 -10.658 -3.584 1.00 63.34 C ATOM 752 CG2 ILE A 45 4.614 -13.161 -3.698 1.00 33.42 C ATOM 753 CD1 ILE A 45 4.845 -10.477 -2.332 1.00 11.21 C ATOM 0 H ILE A 45 0.773 -11.920 -4.671 1.00 21.13 H new ATOM 0 HA ILE A 45 3.436 -11.740 -5.973 1.00 40.30 H new ATOM 0 HB ILE A 45 2.745 -12.354 -3.070 1.00 40.34 H new ATOM 0 HG12 ILE A 45 4.603 -10.350 -4.445 1.00 63.34 H new ATOM 0 HG13 ILE A 45 3.154 -9.985 -3.530 1.00 63.34 H new ATOM 0 HG21 ILE A 45 5.078 -13.067 -2.716 1.00 33.42 H new ATOM 0 HG22 ILE A 45 4.199 -14.163 -3.809 1.00 33.42 H new ATOM 0 HG23 ILE A 45 5.364 -12.991 -4.471 1.00 33.42 H new ATOM 0 HD11 ILE A 45 5.159 -9.436 -2.251 1.00 11.21 H new ATOM 0 HD12 ILE A 45 4.253 -10.747 -1.457 1.00 11.21 H new ATOM 0 HD13 ILE A 45 5.725 -11.118 -2.386 1.00 11.21 H new ATOM 765 N ASN A 46 3.194 -14.086 -6.734 1.00 44.34 N ATOM 766 CA ASN A 46 3.165 -15.482 -7.223 1.00 4.23 C ATOM 767 C ASN A 46 1.743 -15.921 -7.660 1.00 22.44 C ATOM 768 O ASN A 46 1.415 -17.115 -7.650 1.00 75.34 O ATOM 769 CB ASN A 46 3.752 -16.443 -6.142 1.00 21.24 C ATOM 770 CG ASN A 46 5.244 -16.224 -5.843 1.00 13.14 C ATOM 771 OD1 ASN A 46 5.667 -16.311 -4.697 1.00 14.10 O ATOM 772 ND2 ASN A 46 6.054 -15.991 -6.871 1.00 71.52 N ATOM 0 H ASN A 46 3.793 -13.476 -7.291 1.00 44.34 H new ATOM 0 HA ASN A 46 3.791 -15.536 -8.114 1.00 4.23 H new ATOM 0 HB2 ASN A 46 3.187 -16.320 -5.218 1.00 21.24 H new ATOM 0 HB3 ASN A 46 3.607 -17.472 -6.470 1.00 21.24 H new ATOM 0 HD21 ASN A 46 7.056 -15.880 -6.716 1.00 71.52 H new ATOM 0 HD22 ASN A 46 5.674 -15.924 -7.815 1.00 71.52 H new ATOM 779 N GLY A 47 0.924 -14.939 -8.082 1.00 12.04 N ATOM 780 CA GLY A 47 -0.463 -15.174 -8.505 1.00 33.42 C ATOM 781 C GLY A 47 -1.481 -14.919 -7.395 1.00 54.32 C ATOM 782 O GLY A 47 -2.650 -14.648 -7.680 1.00 53.34 O ATOM 0 H GLY A 47 1.209 -13.961 -8.138 1.00 12.04 H new ATOM 0 HA2 GLY A 47 -0.691 -14.530 -9.354 1.00 33.42 H new ATOM 0 HA3 GLY A 47 -0.562 -16.203 -8.850 1.00 33.42 H new ATOM 786 N GLU A 48 -1.029 -14.999 -6.133 1.00 14.11 N ATOM 787 CA GLU A 48 -1.884 -14.853 -4.938 1.00 64.33 C ATOM 788 C GLU A 48 -2.139 -13.370 -4.603 1.00 23.43 C ATOM 789 O GLU A 48 -1.207 -12.562 -4.619 1.00 2.52 O ATOM 790 CB GLU A 48 -1.199 -15.527 -3.726 1.00 41.22 C ATOM 791 CG GLU A 48 -0.903 -17.029 -3.893 1.00 22.42 C ATOM 792 CD GLU A 48 -0.090 -17.600 -2.721 1.00 54.32 C ATOM 793 OE1 GLU A 48 -0.694 -18.018 -1.709 1.00 31.21 O ATOM 794 OE2 GLU A 48 1.160 -17.627 -2.797 1.00 40.32 O ATOM 0 H GLU A 48 -0.049 -15.169 -5.909 1.00 14.11 H new ATOM 0 HA GLU A 48 -2.840 -15.330 -5.152 1.00 64.33 H new ATOM 0 HB2 GLU A 48 -0.262 -15.008 -3.524 1.00 41.22 H new ATOM 0 HB3 GLU A 48 -1.833 -15.393 -2.850 1.00 41.22 H new ATOM 0 HG2 GLU A 48 -1.843 -17.574 -3.979 1.00 22.42 H new ATOM 0 HG3 GLU A 48 -0.356 -17.188 -4.822 1.00 22.42 H new ATOM 801 N ARG A 49 -3.397 -13.033 -4.275 1.00 63.33 N ATOM 802 CA ARG A 49 -3.776 -11.684 -3.813 1.00 73.12 C ATOM 803 C ARG A 49 -3.746 -11.628 -2.270 1.00 65.10 C ATOM 804 O ARG A 49 -4.466 -12.360 -1.587 1.00 20.11 O ATOM 805 CB ARG A 49 -5.172 -11.272 -4.372 1.00 72.12 C ATOM 806 CG ARG A 49 -6.333 -12.215 -3.995 1.00 72.23 C ATOM 807 CD ARG A 49 -7.659 -11.855 -4.683 1.00 31.55 C ATOM 808 NE ARG A 49 -8.742 -12.771 -4.278 1.00 21.04 N ATOM 809 CZ ARG A 49 -9.438 -13.584 -5.100 1.00 41.24 C ATOM 810 NH1 ARG A 49 -9.178 -13.631 -6.403 1.00 62.30 N ATOM 811 NH2 ARG A 49 -10.392 -14.357 -4.605 1.00 45.11 N ATOM 0 H ARG A 49 -4.180 -13.685 -4.322 1.00 63.33 H new ATOM 0 HA ARG A 49 -3.051 -10.966 -4.196 1.00 73.12 H new ATOM 0 HB2 ARG A 49 -5.408 -10.270 -4.014 1.00 72.12 H new ATOM 0 HB3 ARG A 49 -5.109 -11.216 -5.459 1.00 72.12 H new ATOM 0 HG2 ARG A 49 -6.061 -13.237 -4.258 1.00 72.23 H new ATOM 0 HG3 ARG A 49 -6.475 -12.191 -2.914 1.00 72.23 H new ATOM 0 HD2 ARG A 49 -7.934 -10.831 -4.432 1.00 31.55 H new ATOM 0 HD3 ARG A 49 -7.532 -11.895 -5.765 1.00 31.55 H new ATOM 0 HE ARG A 49 -8.987 -12.792 -3.288 1.00 21.04 H new ATOM 0 HH11 ARG A 49 -8.441 -13.046 -6.797 1.00 62.30 H new ATOM 0 HH12 ARG A 49 -9.715 -14.252 -7.008 1.00 62.30 H new ATOM 0 HH21 ARG A 49 -10.598 -14.336 -3.606 1.00 45.11 H new ATOM 0 HH22 ARG A 49 -10.921 -14.973 -5.222 1.00 45.11 H new ATOM 825 N ASP A 50 -2.844 -10.798 -1.749 1.00 70.42 N ATOM 826 CA ASP A 50 -2.753 -10.454 -0.317 1.00 12.04 C ATOM 827 C ASP A 50 -3.650 -9.238 -0.068 1.00 61.25 C ATOM 828 O ASP A 50 -3.623 -8.303 -0.863 1.00 74.51 O ATOM 829 CB ASP A 50 -1.275 -10.136 0.039 1.00 1.32 C ATOM 830 CG ASP A 50 -1.064 -9.649 1.477 1.00 53.11 C ATOM 831 OD1 ASP A 50 -0.967 -8.421 1.703 1.00 42.13 O ATOM 832 OD2 ASP A 50 -0.956 -10.484 2.399 1.00 22.32 O ATOM 0 H ASP A 50 -2.137 -10.332 -2.317 1.00 70.42 H new ATOM 0 HA ASP A 50 -3.082 -11.283 0.310 1.00 12.04 H new ATOM 0 HB2 ASP A 50 -0.674 -11.031 -0.121 1.00 1.32 H new ATOM 0 HB3 ASP A 50 -0.903 -9.376 -0.648 1.00 1.32 H new ATOM 837 N GLU A 51 -4.449 -9.247 1.010 1.00 23.02 N ATOM 838 CA GLU A 51 -5.415 -8.165 1.287 1.00 44.31 C ATOM 839 C GLU A 51 -5.058 -7.432 2.590 1.00 0.12 C ATOM 840 O GLU A 51 -4.963 -8.046 3.664 1.00 71.13 O ATOM 841 CB GLU A 51 -6.857 -8.734 1.367 1.00 34.14 C ATOM 842 CG GLU A 51 -7.952 -7.649 1.421 1.00 52.13 C ATOM 843 CD GLU A 51 -9.365 -8.223 1.599 1.00 53.13 C ATOM 844 OE1 GLU A 51 -10.127 -8.321 0.613 1.00 0.11 O ATOM 845 OE2 GLU A 51 -9.728 -8.568 2.738 1.00 1.34 O ATOM 0 H GLU A 51 -4.447 -9.992 1.707 1.00 23.02 H new ATOM 0 HA GLU A 51 -5.366 -7.448 0.467 1.00 44.31 H new ATOM 0 HB2 GLU A 51 -7.034 -9.373 0.502 1.00 34.14 H new ATOM 0 HB3 GLU A 51 -6.940 -9.365 2.252 1.00 34.14 H new ATOM 0 HG2 GLU A 51 -7.738 -6.967 2.244 1.00 52.13 H new ATOM 0 HG3 GLU A 51 -7.918 -7.062 0.503 1.00 52.13 H new ATOM 852 N ILE A 52 -4.852 -6.112 2.476 1.00 64.05 N ATOM 853 CA ILE A 52 -4.600 -5.206 3.611 1.00 4.15 C ATOM 854 C ILE A 52 -5.696 -4.127 3.591 1.00 22.22 C ATOM 855 O ILE A 52 -5.920 -3.515 2.550 1.00 4.34 O ATOM 856 CB ILE A 52 -3.181 -4.501 3.502 1.00 23.55 C ATOM 857 CG1 ILE A 52 -2.059 -5.513 3.089 1.00 44.21 C ATOM 858 CG2 ILE A 52 -2.822 -3.800 4.836 1.00 55.21 C ATOM 859 CD1 ILE A 52 -0.780 -4.867 2.585 1.00 55.22 C ATOM 0 H ILE A 52 -4.856 -5.633 1.576 1.00 64.05 H new ATOM 0 HA ILE A 52 -4.611 -5.782 4.536 1.00 4.15 H new ATOM 0 HB ILE A 52 -3.245 -3.749 2.716 1.00 23.55 H new ATOM 0 HG12 ILE A 52 -1.820 -6.141 3.948 1.00 44.21 H new ATOM 0 HG13 ILE A 52 -2.449 -6.171 2.312 1.00 44.21 H new ATOM 0 HG21 ILE A 52 -1.847 -3.322 4.745 1.00 55.21 H new ATOM 0 HG22 ILE A 52 -3.576 -3.047 5.065 1.00 55.21 H new ATOM 0 HG23 ILE A 52 -2.791 -4.538 5.638 1.00 55.21 H new ATOM 0 HD11 ILE A 52 -0.060 -5.642 2.322 1.00 55.22 H new ATOM 0 HD12 ILE A 52 -1.000 -4.263 1.705 1.00 55.22 H new ATOM 0 HD13 ILE A 52 -0.361 -4.232 3.366 1.00 55.22 H new ATOM 871 N ARG A 53 -6.398 -3.911 4.715 1.00 75.40 N ATOM 872 CA ARG A 53 -7.452 -2.871 4.815 1.00 65.54 C ATOM 873 C ARG A 53 -7.118 -1.896 5.949 1.00 2.54 C ATOM 874 O ARG A 53 -6.841 -2.328 7.075 1.00 25.23 O ATOM 875 CB ARG A 53 -8.846 -3.510 5.078 1.00 54.41 C ATOM 876 CG ARG A 53 -9.330 -4.499 3.995 1.00 40.21 C ATOM 877 CD ARG A 53 -10.756 -5.015 4.268 1.00 32.12 C ATOM 878 NE ARG A 53 -11.161 -6.039 3.296 1.00 64.14 N ATOM 879 CZ ARG A 53 -12.420 -6.425 3.038 1.00 35.02 C ATOM 880 NH1 ARG A 53 -13.457 -5.869 3.669 1.00 73.14 N ATOM 881 NH2 ARG A 53 -12.632 -7.395 2.159 1.00 51.31 N ATOM 0 H ARG A 53 -6.259 -4.442 5.575 1.00 75.40 H new ATOM 0 HA ARG A 53 -7.488 -2.335 3.866 1.00 65.54 H new ATOM 0 HB2 ARG A 53 -8.815 -4.031 6.035 1.00 54.41 H new ATOM 0 HB3 ARG A 53 -9.582 -2.712 5.173 1.00 54.41 H new ATOM 0 HG2 ARG A 53 -9.304 -4.009 3.021 1.00 40.21 H new ATOM 0 HG3 ARG A 53 -8.644 -5.344 3.945 1.00 40.21 H new ATOM 0 HD2 ARG A 53 -10.806 -5.430 5.275 1.00 32.12 H new ATOM 0 HD3 ARG A 53 -11.457 -4.181 4.231 1.00 32.12 H new ATOM 0 HE ARG A 53 -10.418 -6.498 2.769 1.00 64.14 H new ATOM 0 HH11 ARG A 53 -13.300 -5.137 4.361 1.00 73.14 H new ATOM 0 HH12 ARG A 53 -14.407 -6.176 3.459 1.00 73.14 H new ATOM 0 HH21 ARG A 53 -11.843 -7.838 1.688 1.00 51.31 H new ATOM 0 HH22 ARG A 53 -13.584 -7.698 1.954 1.00 51.31 H new ATOM 895 N VAL A 54 -7.127 -0.592 5.651 1.00 1.34 N ATOM 896 CA VAL A 54 -7.053 0.467 6.673 1.00 74.43 C ATOM 897 C VAL A 54 -7.999 1.609 6.246 1.00 2.23 C ATOM 898 O VAL A 54 -8.136 1.873 5.048 1.00 45.13 O ATOM 899 CB VAL A 54 -5.570 0.975 6.890 1.00 63.03 C ATOM 900 CG1 VAL A 54 -5.133 2.022 5.842 1.00 23.42 C ATOM 901 CG2 VAL A 54 -5.353 1.470 8.338 1.00 1.30 C ATOM 0 H VAL A 54 -7.186 -0.238 4.696 1.00 1.34 H new ATOM 0 HA VAL A 54 -7.370 0.071 7.638 1.00 74.43 H new ATOM 0 HB VAL A 54 -4.918 0.115 6.736 1.00 63.03 H new ATOM 0 HG11 VAL A 54 -4.108 2.332 6.043 1.00 23.42 H new ATOM 0 HG12 VAL A 54 -5.191 1.585 4.845 1.00 23.42 H new ATOM 0 HG13 VAL A 54 -5.792 2.889 5.897 1.00 23.42 H new ATOM 0 HG21 VAL A 54 -4.325 1.812 8.455 1.00 1.30 H new ATOM 0 HG22 VAL A 54 -6.036 2.294 8.547 1.00 1.30 H new ATOM 0 HG23 VAL A 54 -5.545 0.654 9.034 1.00 1.30 H new ATOM 911 N ARG A 55 -8.691 2.259 7.205 1.00 40.03 N ATOM 912 CA ARG A 55 -9.717 3.287 6.889 1.00 14.01 C ATOM 913 C ARG A 55 -9.528 4.542 7.767 1.00 24.04 C ATOM 914 O ARG A 55 -9.753 4.488 8.976 1.00 60.23 O ATOM 915 CB ARG A 55 -11.156 2.700 7.071 1.00 62.14 C ATOM 916 CG ARG A 55 -11.393 1.349 6.354 1.00 2.24 C ATOM 917 CD ARG A 55 -12.855 0.866 6.421 1.00 41.11 C ATOM 918 NE ARG A 55 -13.765 1.706 5.621 1.00 2.40 N ATOM 919 CZ ARG A 55 -14.774 2.451 6.103 1.00 1.40 C ATOM 920 NH1 ARG A 55 -15.030 2.491 7.410 1.00 33.20 N ATOM 921 NH2 ARG A 55 -15.521 3.161 5.267 1.00 35.05 N ATOM 0 H ARG A 55 -8.562 2.094 8.203 1.00 40.03 H new ATOM 0 HA ARG A 55 -9.593 3.581 5.847 1.00 14.01 H new ATOM 0 HB2 ARG A 55 -11.350 2.571 8.136 1.00 62.14 H new ATOM 0 HB3 ARG A 55 -11.880 3.426 6.701 1.00 62.14 H new ATOM 0 HG2 ARG A 55 -11.098 1.444 5.309 1.00 2.24 H new ATOM 0 HG3 ARG A 55 -10.748 0.592 6.800 1.00 2.24 H new ATOM 0 HD2 ARG A 55 -12.911 -0.163 6.067 1.00 41.11 H new ATOM 0 HD3 ARG A 55 -13.186 0.864 7.459 1.00 41.11 H new ATOM 0 HE ARG A 55 -13.615 1.723 4.612 1.00 2.40 H new ATOM 0 HH11 ARG A 55 -14.457 1.952 8.059 1.00 33.20 H new ATOM 0 HH12 ARG A 55 -15.799 3.061 7.762 1.00 33.20 H new ATOM 0 HH21 ARG A 55 -15.328 3.139 4.266 1.00 35.05 H new ATOM 0 HH22 ARG A 55 -16.289 3.729 5.626 1.00 35.05 H new ATOM 935 N ASN A 56 -9.098 5.654 7.123 1.00 1.31 N ATOM 936 CA ASN A 56 -8.927 6.989 7.749 1.00 42.00 C ATOM 937 C ASN A 56 -7.882 6.953 8.892 1.00 24.42 C ATOM 938 O ASN A 56 -8.224 6.754 10.063 1.00 74.05 O ATOM 939 CB ASN A 56 -10.284 7.599 8.257 1.00 52.21 C ATOM 940 CG ASN A 56 -11.429 7.628 7.225 1.00 62.33 C ATOM 941 OD1 ASN A 56 -12.600 7.668 7.598 1.00 24.33 O ATOM 942 ND2 ASN A 56 -11.122 7.573 5.938 1.00 43.30 N ATOM 0 H ASN A 56 -8.855 5.648 6.132 1.00 1.31 H new ATOM 0 HA ASN A 56 -8.554 7.646 6.963 1.00 42.00 H new ATOM 0 HB2 ASN A 56 -10.616 7.029 9.125 1.00 52.21 H new ATOM 0 HB3 ASN A 56 -10.099 8.618 8.597 1.00 52.21 H new ATOM 0 HD21 ASN A 56 -11.863 7.563 5.237 1.00 43.30 H new ATOM 0 HD22 ASN A 56 -10.145 7.540 5.648 1.00 43.30 H new ATOM 949 N ILE A 57 -6.606 7.151 8.534 1.00 25.02 N ATOM 950 CA ILE A 57 -5.455 7.022 9.457 1.00 52.32 C ATOM 951 C ILE A 57 -4.416 8.132 9.203 1.00 54.13 C ATOM 952 O ILE A 57 -4.532 8.863 8.229 1.00 61.25 O ATOM 953 CB ILE A 57 -4.791 5.584 9.347 1.00 51.20 C ATOM 954 CG1 ILE A 57 -4.856 4.998 7.891 1.00 52.11 C ATOM 955 CG2 ILE A 57 -5.439 4.600 10.353 1.00 43.23 C ATOM 956 CD1 ILE A 57 -4.104 5.757 6.809 1.00 50.23 C ATOM 0 H ILE A 57 -6.334 7.409 7.585 1.00 25.02 H new ATOM 0 HA ILE A 57 -5.829 7.139 10.474 1.00 52.32 H new ATOM 0 HB ILE A 57 -3.737 5.707 9.597 1.00 51.20 H new ATOM 0 HG12 ILE A 57 -4.473 3.978 7.919 1.00 52.11 H new ATOM 0 HG13 ILE A 57 -5.904 4.937 7.597 1.00 52.11 H new ATOM 0 HG21 ILE A 57 -4.968 3.621 10.259 1.00 43.23 H new ATOM 0 HG22 ILE A 57 -5.301 4.974 11.368 1.00 43.23 H new ATOM 0 HG23 ILE A 57 -6.504 4.512 10.141 1.00 43.23 H new ATOM 0 HD11 ILE A 57 -4.230 5.248 5.853 1.00 50.23 H new ATOM 0 HD12 ILE A 57 -4.498 6.771 6.735 1.00 50.23 H new ATOM 0 HD13 ILE A 57 -3.045 5.797 7.062 1.00 50.23 H new ATOM 968 N SER A 58 -3.404 8.224 10.085 1.00 75.11 N ATOM 969 CA SER A 58 -2.331 9.249 10.014 1.00 64.02 C ATOM 970 C SER A 58 -1.170 8.799 9.098 1.00 70.53 C ATOM 971 O SER A 58 -1.164 7.656 8.630 1.00 53.14 O ATOM 972 CB SER A 58 -1.814 9.520 11.440 1.00 74.20 C ATOM 973 OG SER A 58 -2.878 9.893 12.302 1.00 55.14 O ATOM 0 H SER A 58 -3.302 7.587 10.875 1.00 75.11 H new ATOM 0 HA SER A 58 -2.744 10.161 9.583 1.00 64.02 H new ATOM 0 HB2 SER A 58 -1.322 8.628 11.828 1.00 74.20 H new ATOM 0 HB3 SER A 58 -1.066 10.312 11.415 1.00 74.20 H new ATOM 0 HG SER A 58 -2.527 10.058 13.202 1.00 55.14 H new ATOM 979 N LYS A 59 -0.169 9.705 8.877 1.00 33.20 N ATOM 980 CA LYS A 59 1.031 9.414 8.045 1.00 53.00 C ATOM 981 C LYS A 59 1.831 8.220 8.608 1.00 13.21 C ATOM 982 O LYS A 59 2.397 7.434 7.857 1.00 51.34 O ATOM 983 CB LYS A 59 1.957 10.660 7.917 1.00 50.24 C ATOM 984 CG LYS A 59 2.671 11.062 9.218 1.00 33.10 C ATOM 985 CD LYS A 59 3.601 12.286 9.059 1.00 15.12 C ATOM 986 CE LYS A 59 4.275 12.664 10.387 1.00 1.24 C ATOM 987 NZ LYS A 59 3.291 13.092 11.421 1.00 42.35 N ATOM 0 H LYS A 59 -0.175 10.647 9.268 1.00 33.20 H new ATOM 0 HA LYS A 59 0.669 9.152 7.051 1.00 53.00 H new ATOM 0 HB2 LYS A 59 2.708 10.462 7.152 1.00 50.24 H new ATOM 0 HB3 LYS A 59 1.362 11.504 7.568 1.00 50.24 H new ATOM 0 HG2 LYS A 59 1.923 11.281 9.981 1.00 33.10 H new ATOM 0 HG3 LYS A 59 3.256 10.216 9.578 1.00 33.10 H new ATOM 0 HD2 LYS A 59 4.365 12.068 8.312 1.00 15.12 H new ATOM 0 HD3 LYS A 59 3.026 13.134 8.688 1.00 15.12 H new ATOM 0 HE2 LYS A 59 4.842 11.811 10.760 1.00 1.24 H new ATOM 0 HE3 LYS A 59 4.989 13.469 10.213 1.00 1.24 H new ATOM 0 HZ1 LYS A 59 3.797 13.496 12.235 1.00 42.35 H new ATOM 0 HZ2 LYS A 59 2.654 13.809 11.019 1.00 42.35 H new ATOM 0 HZ3 LYS A 59 2.734 12.270 11.732 1.00 42.35 H new ATOM 1001 N GLU A 60 1.835 8.091 9.942 1.00 51.05 N ATOM 1002 CA GLU A 60 2.588 7.040 10.644 1.00 31.10 C ATOM 1003 C GLU A 60 1.874 5.672 10.560 1.00 50.31 C ATOM 1004 O GLU A 60 2.518 4.618 10.648 1.00 70.25 O ATOM 1005 CB GLU A 60 2.822 7.474 12.110 1.00 43.42 C ATOM 1006 CG GLU A 60 1.539 7.603 12.949 1.00 45.21 C ATOM 1007 CD GLU A 60 1.793 8.202 14.332 1.00 11.12 C ATOM 1008 OE1 GLU A 60 1.435 9.375 14.567 1.00 13.52 O ATOM 1009 OE2 GLU A 60 2.391 7.517 15.180 1.00 63.04 O ATOM 0 H GLU A 60 1.317 8.711 10.565 1.00 51.05 H new ATOM 0 HA GLU A 60 3.554 6.911 10.155 1.00 31.10 H new ATOM 0 HB2 GLU A 60 3.483 6.751 12.589 1.00 43.42 H new ATOM 0 HB3 GLU A 60 3.341 8.432 12.114 1.00 43.42 H new ATOM 0 HG2 GLU A 60 0.822 8.226 12.414 1.00 45.21 H new ATOM 0 HG3 GLU A 60 1.084 6.619 13.062 1.00 45.21 H new ATOM 1016 N GLU A 61 0.541 5.707 10.396 1.00 33.32 N ATOM 1017 CA GLU A 61 -0.292 4.494 10.308 1.00 33.51 C ATOM 1018 C GLU A 61 -0.467 4.000 8.865 1.00 74.23 C ATOM 1019 O GLU A 61 -0.674 2.808 8.646 1.00 70.22 O ATOM 1020 CB GLU A 61 -1.649 4.722 11.008 1.00 51.42 C ATOM 1021 CG GLU A 61 -1.531 5.054 12.511 1.00 3.22 C ATOM 1022 CD GLU A 61 -0.692 4.018 13.281 1.00 72.11 C ATOM 1023 OE1 GLU A 61 -1.168 2.882 13.487 1.00 60.33 O ATOM 1024 OE2 GLU A 61 0.456 4.319 13.667 1.00 13.22 O ATOM 0 H GLU A 61 0.011 6.575 10.321 1.00 33.32 H new ATOM 0 HA GLU A 61 0.234 3.696 10.833 1.00 33.51 H new ATOM 0 HB2 GLU A 61 -2.173 5.536 10.507 1.00 51.42 H new ATOM 0 HB3 GLU A 61 -2.262 3.828 10.891 1.00 51.42 H new ATOM 0 HG2 GLU A 61 -1.081 6.040 12.627 1.00 3.22 H new ATOM 0 HG3 GLU A 61 -2.528 5.105 12.948 1.00 3.22 H new ATOM 1031 N LEU A 62 -0.372 4.899 7.875 1.00 44.51 N ATOM 1032 CA LEU A 62 -0.353 4.479 6.455 1.00 14.20 C ATOM 1033 C LEU A 62 1.003 3.841 6.121 1.00 70.31 C ATOM 1034 O LEU A 62 1.126 3.091 5.143 1.00 13.45 O ATOM 1035 CB LEU A 62 -0.729 5.641 5.494 1.00 14.34 C ATOM 1036 CG LEU A 62 0.113 6.958 5.557 1.00 41.22 C ATOM 1037 CD1 LEU A 62 1.466 6.850 4.810 1.00 50.22 C ATOM 1038 CD2 LEU A 62 -0.707 8.172 5.053 1.00 42.13 C ATOM 0 H LEU A 62 -0.308 5.907 8.021 1.00 44.51 H new ATOM 0 HA LEU A 62 -1.124 3.723 6.304 1.00 14.20 H new ATOM 0 HB2 LEU A 62 -0.674 5.260 4.474 1.00 14.34 H new ATOM 0 HB3 LEU A 62 -1.770 5.903 5.681 1.00 14.34 H new ATOM 0 HG LEU A 62 0.354 7.117 6.608 1.00 41.22 H new ATOM 0 HD11 LEU A 62 2.003 7.795 4.891 1.00 50.22 H new ATOM 0 HD12 LEU A 62 2.064 6.054 5.254 1.00 50.22 H new ATOM 0 HD13 LEU A 62 1.284 6.624 3.759 1.00 50.22 H new ATOM 0 HD21 LEU A 62 -0.095 9.073 5.109 1.00 42.13 H new ATOM 0 HD22 LEU A 62 -1.010 8.003 4.020 1.00 42.13 H new ATOM 0 HD23 LEU A 62 -1.593 8.296 5.675 1.00 42.13 H new ATOM 1050 N LYS A 63 2.031 4.150 6.961 1.00 75.42 N ATOM 1051 CA LYS A 63 3.314 3.435 6.924 1.00 32.30 C ATOM 1052 C LYS A 63 3.078 1.940 7.144 1.00 64.43 C ATOM 1053 O LYS A 63 3.739 1.125 6.525 1.00 60.30 O ATOM 1054 CB LYS A 63 4.332 3.920 7.977 1.00 31.30 C ATOM 1055 CG LYS A 63 4.784 5.385 7.878 1.00 32.11 C ATOM 1056 CD LYS A 63 6.004 5.718 8.795 1.00 12.33 C ATOM 1057 CE LYS A 63 5.828 5.332 10.288 1.00 42.44 C ATOM 1058 NZ LYS A 63 5.937 3.857 10.553 1.00 54.42 N ATOM 0 H LYS A 63 1.984 4.888 7.664 1.00 75.42 H new ATOM 0 HA LYS A 63 3.739 3.639 5.941 1.00 32.30 H new ATOM 0 HB2 LYS A 63 3.900 3.764 8.965 1.00 31.30 H new ATOM 0 HB3 LYS A 63 5.216 3.286 7.912 1.00 31.30 H new ATOM 0 HG2 LYS A 63 5.044 5.609 6.843 1.00 32.11 H new ATOM 0 HG3 LYS A 63 3.950 6.034 8.145 1.00 32.11 H new ATOM 0 HD2 LYS A 63 6.883 5.206 8.404 1.00 12.33 H new ATOM 0 HD3 LYS A 63 6.204 6.788 8.733 1.00 12.33 H new ATOM 0 HE2 LYS A 63 6.581 5.854 10.879 1.00 42.44 H new ATOM 0 HE3 LYS A 63 4.854 5.682 10.631 1.00 42.44 H new ATOM 0 HZ1 LYS A 63 4.992 3.468 10.744 1.00 54.42 H new ATOM 0 HZ2 LYS A 63 6.345 3.384 9.721 1.00 54.42 H new ATOM 0 HZ3 LYS A 63 6.550 3.697 11.377 1.00 54.42 H new ATOM 1072 N LYS A 64 2.079 1.596 7.987 1.00 65.30 N ATOM 1073 CA LYS A 64 1.769 0.191 8.328 1.00 64.15 C ATOM 1074 C LYS A 64 1.408 -0.615 7.074 1.00 62.53 C ATOM 1075 O LYS A 64 1.597 -1.813 7.052 1.00 73.21 O ATOM 1076 CB LYS A 64 0.629 0.118 9.378 1.00 62.23 C ATOM 1077 CG LYS A 64 0.953 0.859 10.691 1.00 62.14 C ATOM 1078 CD LYS A 64 2.150 0.241 11.447 1.00 22.32 C ATOM 1079 CE LYS A 64 2.672 1.160 12.554 1.00 33.14 C ATOM 1080 NZ LYS A 64 1.623 1.496 13.555 1.00 42.24 N ATOM 0 H LYS A 64 1.472 2.276 8.445 1.00 65.30 H new ATOM 0 HA LYS A 64 2.663 -0.253 8.765 1.00 64.15 H new ATOM 0 HB2 LYS A 64 -0.279 0.540 8.947 1.00 62.23 H new ATOM 0 HB3 LYS A 64 0.419 -0.928 9.603 1.00 62.23 H new ATOM 0 HG2 LYS A 64 1.169 1.904 10.469 1.00 62.14 H new ATOM 0 HG3 LYS A 64 0.075 0.845 11.337 1.00 62.14 H new ATOM 0 HD2 LYS A 64 1.850 -0.713 11.881 1.00 22.32 H new ATOM 0 HD3 LYS A 64 2.954 0.032 10.742 1.00 22.32 H new ATOM 0 HE2 LYS A 64 3.510 0.678 13.058 1.00 33.14 H new ATOM 0 HE3 LYS A 64 3.054 2.079 12.109 1.00 33.14 H new ATOM 0 HZ1 LYS A 64 1.384 2.506 13.482 1.00 42.24 H new ATOM 0 HZ2 LYS A 64 0.773 0.925 13.372 1.00 42.24 H new ATOM 0 HZ3 LYS A 64 1.978 1.293 14.511 1.00 42.24 H new ATOM 1094 N LEU A 65 0.951 0.091 6.022 1.00 40.01 N ATOM 1095 CA LEU A 65 0.618 -0.510 4.724 1.00 53.14 C ATOM 1096 C LEU A 65 1.887 -0.960 3.990 1.00 64.14 C ATOM 1097 O LEU A 65 1.993 -2.110 3.578 1.00 50.42 O ATOM 1098 CB LEU A 65 -0.187 0.511 3.885 1.00 10.41 C ATOM 1099 CG LEU A 65 -1.532 0.957 4.520 1.00 14.51 C ATOM 1100 CD1 LEU A 65 -2.198 2.056 3.668 1.00 60.31 C ATOM 1101 CD2 LEU A 65 -2.461 -0.259 4.749 1.00 2.34 C ATOM 0 H LEU A 65 0.803 1.100 6.053 1.00 40.01 H new ATOM 0 HA LEU A 65 0.006 -1.398 4.881 1.00 53.14 H new ATOM 0 HB2 LEU A 65 0.432 1.393 3.720 1.00 10.41 H new ATOM 0 HB3 LEU A 65 -0.390 0.077 2.906 1.00 10.41 H new ATOM 0 HG LEU A 65 -1.332 1.391 5.500 1.00 14.51 H new ATOM 0 HD11 LEU A 65 -3.139 2.355 4.130 1.00 60.31 H new ATOM 0 HD12 LEU A 65 -1.535 2.919 3.604 1.00 60.31 H new ATOM 0 HD13 LEU A 65 -2.391 1.673 2.666 1.00 60.31 H new ATOM 0 HD21 LEU A 65 -3.397 0.077 5.195 1.00 2.34 H new ATOM 0 HD22 LEU A 65 -2.667 -0.744 3.795 1.00 2.34 H new ATOM 0 HD23 LEU A 65 -1.974 -0.968 5.419 1.00 2.34 H new ATOM 1113 N LEU A 66 2.857 -0.045 3.867 1.00 52.22 N ATOM 1114 CA LEU A 66 4.153 -0.324 3.207 1.00 12.35 C ATOM 1115 C LEU A 66 5.066 -1.195 4.097 1.00 32.44 C ATOM 1116 O LEU A 66 6.006 -1.811 3.605 1.00 75.21 O ATOM 1117 CB LEU A 66 4.818 1.012 2.767 1.00 52.11 C ATOM 1118 CG LEU A 66 5.051 2.094 3.881 1.00 61.14 C ATOM 1119 CD1 LEU A 66 6.373 1.896 4.649 1.00 23.13 C ATOM 1120 CD2 LEU A 66 4.964 3.522 3.328 1.00 64.52 C ATOM 0 H LEU A 66 2.773 0.909 4.219 1.00 52.22 H new ATOM 0 HA LEU A 66 3.978 -0.912 2.306 1.00 12.35 H new ATOM 0 HB2 LEU A 66 5.782 0.778 2.316 1.00 52.11 H new ATOM 0 HB3 LEU A 66 4.200 1.457 1.987 1.00 52.11 H new ATOM 0 HG LEU A 66 4.238 1.953 4.593 1.00 61.14 H new ATOM 0 HD11 LEU A 66 6.475 2.675 5.404 1.00 23.13 H new ATOM 0 HD12 LEU A 66 6.370 0.919 5.133 1.00 23.13 H new ATOM 0 HD13 LEU A 66 7.210 1.953 3.953 1.00 23.13 H new ATOM 0 HD21 LEU A 66 5.132 4.235 4.135 1.00 64.52 H new ATOM 0 HD22 LEU A 66 5.722 3.661 2.558 1.00 64.52 H new ATOM 0 HD23 LEU A 66 3.976 3.686 2.898 1.00 64.52 H new ATOM 1132 N GLU A 67 4.773 -1.226 5.410 1.00 51.10 N ATOM 1133 CA GLU A 67 5.459 -2.107 6.383 1.00 35.33 C ATOM 1134 C GLU A 67 4.892 -3.527 6.280 1.00 12.44 C ATOM 1135 O GLU A 67 5.596 -4.498 6.536 1.00 3.21 O ATOM 1136 CB GLU A 67 5.323 -1.563 7.832 1.00 23.13 C ATOM 1137 CG GLU A 67 6.057 -0.234 8.073 1.00 44.44 C ATOM 1138 CD GLU A 67 5.957 0.278 9.520 1.00 0.32 C ATOM 1139 OE1 GLU A 67 6.732 -0.201 10.373 1.00 63.24 O ATOM 1140 OE2 GLU A 67 5.119 1.164 9.812 1.00 20.34 O ATOM 0 H GLU A 67 4.052 -0.640 5.831 1.00 51.10 H new ATOM 0 HA GLU A 67 6.522 -2.128 6.142 1.00 35.33 H new ATOM 0 HB2 GLU A 67 4.266 -1.429 8.061 1.00 23.13 H new ATOM 0 HB3 GLU A 67 5.707 -2.310 8.527 1.00 23.13 H new ATOM 0 HG2 GLU A 67 7.108 -0.358 7.814 1.00 44.44 H new ATOM 0 HG3 GLU A 67 5.650 0.522 7.401 1.00 44.44 H new ATOM 1147 N ARG A 68 3.603 -3.628 5.922 1.00 24.31 N ATOM 1148 CA ARG A 68 2.991 -4.904 5.511 1.00 12.02 C ATOM 1149 C ARG A 68 3.659 -5.409 4.224 1.00 53.40 C ATOM 1150 O ARG A 68 4.032 -6.575 4.132 1.00 42.11 O ATOM 1151 CB ARG A 68 1.458 -4.749 5.311 1.00 40.24 C ATOM 1152 CG ARG A 68 0.645 -4.600 6.613 1.00 54.23 C ATOM 1153 CD ARG A 68 0.515 -5.914 7.387 1.00 3.32 C ATOM 1154 NE ARG A 68 0.050 -5.720 8.769 1.00 34.41 N ATOM 1155 CZ ARG A 68 0.584 -6.311 9.861 1.00 24.20 C ATOM 1156 NH1 ARG A 68 1.630 -7.130 9.757 1.00 24.41 N ATOM 1157 NH2 ARG A 68 0.049 -6.088 11.047 1.00 34.44 N ATOM 0 H ARG A 68 2.959 -2.837 5.908 1.00 24.31 H new ATOM 0 HA ARG A 68 3.148 -5.637 6.303 1.00 12.02 H new ATOM 0 HB2 ARG A 68 1.275 -3.877 4.683 1.00 40.24 H new ATOM 0 HB3 ARG A 68 1.088 -5.617 4.766 1.00 40.24 H new ATOM 0 HG2 ARG A 68 1.121 -3.855 7.250 1.00 54.23 H new ATOM 0 HG3 ARG A 68 -0.350 -4.225 6.373 1.00 54.23 H new ATOM 0 HD2 ARG A 68 -0.180 -6.571 6.864 1.00 3.32 H new ATOM 0 HD3 ARG A 68 1.481 -6.419 7.401 1.00 3.32 H new ATOM 0 HE ARG A 68 -0.738 -5.089 8.915 1.00 34.41 H new ATOM 0 HH11 ARG A 68 2.040 -7.319 8.843 1.00 24.41 H new ATOM 0 HH12 ARG A 68 2.020 -7.567 10.592 1.00 24.41 H new ATOM 0 HH21 ARG A 68 -0.761 -5.474 11.134 1.00 34.44 H new ATOM 0 HH22 ARG A 68 0.445 -6.530 11.877 1.00 34.44 H new ATOM 1171 N ILE A 69 3.837 -4.489 3.254 1.00 61.33 N ATOM 1172 CA ILE A 69 4.458 -4.779 1.944 1.00 41.44 C ATOM 1173 C ILE A 69 5.940 -5.160 2.112 1.00 71.53 C ATOM 1174 O ILE A 69 6.443 -6.032 1.390 1.00 3.12 O ATOM 1175 CB ILE A 69 4.324 -3.550 0.963 1.00 40.14 C ATOM 1176 CG1 ILE A 69 2.820 -3.183 0.750 1.00 62.31 C ATOM 1177 CG2 ILE A 69 5.025 -3.814 -0.401 1.00 12.33 C ATOM 1178 CD1 ILE A 69 2.583 -1.866 0.025 1.00 3.32 C ATOM 0 H ILE A 69 3.551 -3.515 3.358 1.00 61.33 H new ATOM 0 HA ILE A 69 3.926 -5.625 1.509 1.00 41.44 H new ATOM 0 HB ILE A 69 4.831 -2.704 1.427 1.00 40.14 H new ATOM 0 HG12 ILE A 69 2.341 -3.984 0.186 1.00 62.31 H new ATOM 0 HG13 ILE A 69 2.329 -3.140 1.722 1.00 62.31 H new ATOM 0 HG21 ILE A 69 4.908 -2.942 -1.045 1.00 12.33 H new ATOM 0 HG22 ILE A 69 6.086 -4.002 -0.235 1.00 12.33 H new ATOM 0 HG23 ILE A 69 4.573 -4.683 -0.880 1.00 12.33 H new ATOM 0 HD11 ILE A 69 1.511 -1.695 -0.077 1.00 3.32 H new ATOM 0 HD12 ILE A 69 3.028 -1.051 0.596 1.00 3.32 H new ATOM 0 HD13 ILE A 69 3.040 -1.908 -0.964 1.00 3.32 H new ATOM 1190 N ARG A 70 6.632 -4.523 3.086 1.00 62.33 N ATOM 1191 CA ARG A 70 8.067 -4.783 3.319 1.00 24.42 C ATOM 1192 C ARG A 70 8.259 -6.239 3.786 1.00 51.25 C ATOM 1193 O ARG A 70 9.214 -6.894 3.376 1.00 51.34 O ATOM 1194 CB ARG A 70 8.717 -3.773 4.315 1.00 61.41 C ATOM 1195 CG ARG A 70 8.686 -4.183 5.803 1.00 23.21 C ATOM 1196 CD ARG A 70 9.370 -3.180 6.735 1.00 3.20 C ATOM 1197 NE ARG A 70 9.382 -3.693 8.118 1.00 24.43 N ATOM 1198 CZ ARG A 70 9.161 -2.960 9.221 1.00 63.11 C ATOM 1199 NH1 ARG A 70 8.903 -1.671 9.133 1.00 34.41 N ATOM 1200 NH2 ARG A 70 9.183 -3.530 10.413 1.00 54.55 N ATOM 0 H ARG A 70 6.222 -3.833 3.716 1.00 62.33 H new ATOM 0 HA ARG A 70 8.587 -4.636 2.372 1.00 24.42 H new ATOM 0 HB2 ARG A 70 9.755 -3.619 4.021 1.00 61.41 H new ATOM 0 HB3 ARG A 70 8.211 -2.813 4.211 1.00 61.41 H new ATOM 0 HG2 ARG A 70 7.649 -4.305 6.115 1.00 23.21 H new ATOM 0 HG3 ARG A 70 9.169 -5.154 5.913 1.00 23.21 H new ATOM 0 HD2 ARG A 70 10.391 -2.998 6.398 1.00 3.20 H new ATOM 0 HD3 ARG A 70 8.847 -2.224 6.699 1.00 3.20 H new ATOM 0 HE ARG A 70 9.574 -4.686 8.247 1.00 24.43 H new ATOM 0 HH11 ARG A 70 8.869 -1.219 8.219 1.00 34.41 H new ATOM 0 HH12 ARG A 70 8.737 -1.125 9.979 1.00 34.41 H new ATOM 0 HH21 ARG A 70 9.368 -4.530 10.497 1.00 54.55 H new ATOM 0 HH22 ARG A 70 9.015 -2.970 11.249 1.00 54.55 H new ATOM 1214 N GLU A 71 7.288 -6.748 4.583 1.00 41.13 N ATOM 1215 CA GLU A 71 7.290 -8.145 5.060 1.00 14.34 C ATOM 1216 C GLU A 71 7.221 -9.100 3.862 1.00 12.35 C ATOM 1217 O GLU A 71 7.787 -10.183 3.877 1.00 4.23 O ATOM 1218 CB GLU A 71 6.075 -8.428 5.988 1.00 12.12 C ATOM 1219 CG GLU A 71 6.017 -7.592 7.274 1.00 61.32 C ATOM 1220 CD GLU A 71 4.744 -7.869 8.094 1.00 72.05 C ATOM 1221 OE1 GLU A 71 4.792 -8.663 9.061 1.00 65.41 O ATOM 1222 OE2 GLU A 71 3.671 -7.330 7.745 1.00 10.42 O ATOM 0 H GLU A 71 6.489 -6.204 4.909 1.00 41.13 H new ATOM 0 HA GLU A 71 8.210 -8.302 5.624 1.00 14.34 H new ATOM 0 HB2 GLU A 71 5.160 -8.256 5.422 1.00 12.12 H new ATOM 0 HB3 GLU A 71 6.087 -9.483 6.261 1.00 12.12 H new ATOM 0 HG2 GLU A 71 6.894 -7.807 7.885 1.00 61.32 H new ATOM 0 HG3 GLU A 71 6.059 -6.533 7.019 1.00 61.32 H new ATOM 1229 N LYS A 72 6.522 -8.652 2.810 1.00 42.34 N ATOM 1230 CA LYS A 72 6.246 -9.469 1.636 1.00 30.35 C ATOM 1231 C LYS A 72 7.496 -9.562 0.750 1.00 43.43 C ATOM 1232 O LYS A 72 7.923 -10.655 0.381 1.00 1.20 O ATOM 1233 CB LYS A 72 5.010 -8.918 0.874 1.00 53.10 C ATOM 1234 CG LYS A 72 3.793 -8.628 1.785 1.00 24.01 C ATOM 1235 CD LYS A 72 3.357 -9.839 2.652 1.00 11.41 C ATOM 1236 CE LYS A 72 2.456 -9.434 3.837 1.00 70.44 C ATOM 1237 NZ LYS A 72 1.264 -8.663 3.411 1.00 22.32 N ATOM 0 H LYS A 72 6.134 -7.710 2.756 1.00 42.34 H new ATOM 0 HA LYS A 72 5.999 -10.484 1.947 1.00 30.35 H new ATOM 0 HB2 LYS A 72 5.292 -8.000 0.358 1.00 53.10 H new ATOM 0 HB3 LYS A 72 4.716 -9.637 0.109 1.00 53.10 H new ATOM 0 HG2 LYS A 72 4.033 -7.791 2.441 1.00 24.01 H new ATOM 0 HG3 LYS A 72 2.953 -8.316 1.165 1.00 24.01 H new ATOM 0 HD2 LYS A 72 2.825 -10.555 2.026 1.00 11.41 H new ATOM 0 HD3 LYS A 72 4.244 -10.345 3.033 1.00 11.41 H new ATOM 0 HE2 LYS A 72 2.134 -10.331 4.366 1.00 70.44 H new ATOM 0 HE3 LYS A 72 3.036 -8.839 4.542 1.00 70.44 H new ATOM 0 HZ1 LYS A 72 1.336 -7.688 3.767 1.00 22.32 H new ATOM 0 HZ2 LYS A 72 1.212 -8.650 2.372 1.00 22.32 H new ATOM 0 HZ3 LYS A 72 0.407 -9.109 3.795 1.00 22.32 H new ATOM 1251 N ILE A 73 8.131 -8.409 0.480 1.00 64.50 N ATOM 1252 CA ILE A 73 9.342 -8.355 -0.372 1.00 13.32 C ATOM 1253 C ILE A 73 10.572 -8.967 0.346 1.00 62.20 C ATOM 1254 O ILE A 73 11.559 -9.304 -0.307 1.00 3.33 O ATOM 1255 CB ILE A 73 9.634 -6.888 -0.913 1.00 41.42 C ATOM 1256 CG1 ILE A 73 9.823 -5.819 0.225 1.00 51.11 C ATOM 1257 CG2 ILE A 73 8.504 -6.448 -1.882 1.00 13.12 C ATOM 1258 CD1 ILE A 73 11.174 -5.808 0.938 1.00 42.33 C ATOM 0 H ILE A 73 7.831 -7.502 0.836 1.00 64.50 H new ATOM 0 HA ILE A 73 9.141 -8.971 -1.248 1.00 13.32 H new ATOM 0 HB ILE A 73 10.586 -6.937 -1.442 1.00 41.42 H new ATOM 0 HG12 ILE A 73 9.657 -4.831 -0.205 1.00 51.11 H new ATOM 0 HG13 ILE A 73 9.045 -5.976 0.972 1.00 51.11 H new ATOM 0 HG21 ILE A 73 8.710 -5.442 -2.249 1.00 13.12 H new ATOM 0 HG22 ILE A 73 8.457 -7.139 -2.724 1.00 13.12 H new ATOM 0 HG23 ILE A 73 7.550 -6.453 -1.355 1.00 13.12 H new ATOM 0 HD11 ILE A 73 11.177 -5.028 1.699 1.00 42.33 H new ATOM 0 HD12 ILE A 73 11.344 -6.776 1.410 1.00 42.33 H new ATOM 0 HD13 ILE A 73 11.966 -5.613 0.215 1.00 42.33 H new ATOM 1270 N GLU A 74 10.508 -9.062 1.696 1.00 55.41 N ATOM 1271 CA GLU A 74 11.572 -9.691 2.520 1.00 61.34 C ATOM 1272 C GLU A 74 11.414 -11.224 2.594 1.00 34.32 C ATOM 1273 O GLU A 74 12.338 -11.964 2.220 1.00 43.11 O ATOM 1274 CB GLU A 74 11.576 -9.091 3.959 1.00 24.11 C ATOM 1275 CG GLU A 74 12.143 -7.658 4.056 1.00 44.03 C ATOM 1276 CD GLU A 74 12.031 -7.043 5.460 1.00 61.14 C ATOM 1277 OE1 GLU A 74 12.345 -7.741 6.445 1.00 15.34 O ATOM 1278 OE2 GLU A 74 11.685 -5.846 5.586 1.00 72.22 O ATOM 0 H GLU A 74 9.723 -8.708 2.243 1.00 55.41 H new ATOM 0 HA GLU A 74 12.524 -9.475 2.035 1.00 61.34 H new ATOM 0 HB2 GLU A 74 10.555 -9.090 4.341 1.00 24.11 H new ATOM 0 HB3 GLU A 74 12.159 -9.743 4.609 1.00 24.11 H new ATOM 0 HG2 GLU A 74 13.191 -7.670 3.757 1.00 44.03 H new ATOM 0 HG3 GLU A 74 11.617 -7.020 3.346 1.00 44.03 H new ATOM 1285 N ARG A 75 10.242 -11.689 3.055 1.00 72.13 N ATOM 1286 CA ARG A 75 10.014 -13.120 3.357 1.00 22.23 C ATOM 1287 C ARG A 75 9.741 -13.904 2.065 1.00 52.13 C ATOM 1288 O ARG A 75 10.324 -14.970 1.847 1.00 32.31 O ATOM 1289 CB ARG A 75 8.818 -13.293 4.327 1.00 41.42 C ATOM 1290 CG ARG A 75 8.884 -12.470 5.642 1.00 52.52 C ATOM 1291 CD ARG A 75 7.554 -12.551 6.413 1.00 25.55 C ATOM 1292 NE ARG A 75 6.404 -12.341 5.503 1.00 42.31 N ATOM 1293 CZ ARG A 75 5.160 -12.801 5.699 1.00 62.10 C ATOM 1294 NH1 ARG A 75 4.844 -13.478 6.797 1.00 23.02 N ATOM 1295 NH2 ARG A 75 4.253 -12.668 4.741 1.00 51.21 N ATOM 0 H ARG A 75 9.431 -11.095 3.229 1.00 72.13 H new ATOM 0 HA ARG A 75 10.914 -13.510 3.832 1.00 22.23 H new ATOM 0 HB2 ARG A 75 7.904 -13.022 3.798 1.00 41.42 H new ATOM 0 HB3 ARG A 75 8.736 -14.349 4.586 1.00 41.42 H new ATOM 0 HG2 ARG A 75 9.694 -12.843 6.268 1.00 52.52 H new ATOM 0 HG3 ARG A 75 9.112 -11.429 5.412 1.00 52.52 H new ATOM 0 HD2 ARG A 75 7.468 -13.524 6.897 1.00 25.55 H new ATOM 0 HD3 ARG A 75 7.540 -11.800 7.203 1.00 25.55 H new ATOM 0 HE ARG A 75 6.573 -11.800 4.655 1.00 42.31 H new ATOM 0 HH11 ARG A 75 5.553 -13.656 7.508 1.00 23.02 H new ATOM 0 HH12 ARG A 75 3.892 -13.820 6.929 1.00 23.02 H new ATOM 0 HH21 ARG A 75 4.503 -12.218 3.861 1.00 51.21 H new ATOM 0 HH22 ARG A 75 3.305 -13.016 4.884 1.00 51.21 H new ATOM 1309 N GLU A 76 8.859 -13.359 1.204 1.00 72.41 N ATOM 1310 CA GLU A 76 8.536 -13.970 -0.096 1.00 21.22 C ATOM 1311 C GLU A 76 9.681 -13.685 -1.083 1.00 23.34 C ATOM 1312 O GLU A 76 10.155 -14.600 -1.762 1.00 62.42 O ATOM 1313 CB GLU A 76 7.169 -13.449 -0.650 1.00 21.24 C ATOM 1314 CG GLU A 76 5.899 -13.960 0.081 1.00 45.23 C ATOM 1315 CD GLU A 76 5.811 -13.617 1.593 1.00 32.40 C ATOM 1316 OE1 GLU A 76 5.321 -12.537 1.948 1.00 40.34 O ATOM 1317 OE2 GLU A 76 6.209 -14.451 2.433 1.00 14.20 O ATOM 0 H GLU A 76 8.356 -12.491 1.389 1.00 72.41 H new ATOM 0 HA GLU A 76 8.432 -15.047 0.034 1.00 21.22 H new ATOM 0 HB2 GLU A 76 7.174 -12.360 -0.609 1.00 21.24 H new ATOM 0 HB3 GLU A 76 7.096 -13.728 -1.701 1.00 21.24 H new ATOM 0 HG2 GLU A 76 5.023 -13.546 -0.419 1.00 45.23 H new ATOM 0 HG3 GLU A 76 5.848 -15.043 -0.031 1.00 45.23 H new ATOM 1324 N GLY A 77 10.128 -12.410 -1.129 1.00 73.24 N ATOM 1325 CA GLY A 77 11.247 -11.996 -1.992 1.00 41.14 C ATOM 1326 C GLY A 77 11.017 -12.264 -3.472 1.00 12.43 C ATOM 1327 O GLY A 77 11.962 -12.516 -4.228 1.00 12.52 O ATOM 0 H GLY A 77 9.727 -11.652 -0.576 1.00 73.24 H new ATOM 0 HA2 GLY A 77 11.428 -10.931 -1.850 1.00 41.14 H new ATOM 0 HA3 GLY A 77 12.150 -12.518 -1.675 1.00 41.14 H new ATOM 1331 N SER A 78 9.746 -12.217 -3.876 1.00 4.21 N ATOM 1332 CA SER A 78 9.324 -12.556 -5.230 1.00 25.32 C ATOM 1333 C SER A 78 9.326 -11.302 -6.115 1.00 31.24 C ATOM 1334 O SER A 78 8.779 -10.258 -5.730 1.00 32.34 O ATOM 1335 CB SER A 78 7.932 -13.203 -5.157 1.00 2.25 C ATOM 1336 OG SER A 78 7.940 -14.337 -4.295 1.00 11.11 O ATOM 0 H SER A 78 8.977 -11.940 -3.265 1.00 4.21 H new ATOM 0 HA SER A 78 10.018 -13.265 -5.681 1.00 25.32 H new ATOM 0 HB2 SER A 78 7.207 -12.473 -4.797 1.00 2.25 H new ATOM 0 HB3 SER A 78 7.614 -13.503 -6.155 1.00 2.25 H new ATOM 0 HG SER A 78 7.172 -14.909 -4.500 1.00 11.11 H new ATOM 1342 N SER A 79 9.962 -11.427 -7.294 1.00 24.04 N ATOM 1343 CA SER A 79 10.087 -10.338 -8.273 1.00 30.35 C ATOM 1344 C SER A 79 8.730 -10.055 -8.948 1.00 2.35 C ATOM 1345 O SER A 79 8.465 -8.936 -9.381 1.00 30.04 O ATOM 1346 CB SER A 79 11.160 -10.720 -9.318 1.00 31.24 C ATOM 1347 OG SER A 79 12.361 -11.163 -8.696 1.00 1.25 O ATOM 0 H SER A 79 10.406 -12.295 -7.594 1.00 24.04 H new ATOM 0 HA SER A 79 10.395 -9.424 -7.765 1.00 30.35 H new ATOM 0 HB2 SER A 79 10.774 -11.506 -9.967 1.00 31.24 H new ATOM 0 HB3 SER A 79 11.374 -9.860 -9.952 1.00 31.24 H new ATOM 0 HG SER A 79 13.018 -11.398 -9.384 1.00 1.25 H new ATOM 1353 N GLU A 80 7.869 -11.089 -9.022 1.00 13.14 N ATOM 1354 CA GLU A 80 6.499 -10.952 -9.531 1.00 55.33 C ATOM 1355 C GLU A 80 5.596 -10.410 -8.407 1.00 73.44 C ATOM 1356 O GLU A 80 4.826 -11.136 -7.764 1.00 73.30 O ATOM 1357 CB GLU A 80 5.956 -12.277 -10.161 1.00 61.02 C ATOM 1358 CG GLU A 80 6.009 -13.553 -9.279 1.00 21.23 C ATOM 1359 CD GLU A 80 7.384 -14.243 -9.274 1.00 33.32 C ATOM 1360 OE1 GLU A 80 8.205 -13.973 -8.378 1.00 2.35 O ATOM 1361 OE2 GLU A 80 7.655 -15.060 -10.174 1.00 12.54 O ATOM 0 H GLU A 80 8.107 -12.037 -8.731 1.00 13.14 H new ATOM 0 HA GLU A 80 6.499 -10.235 -10.352 1.00 55.33 H new ATOM 0 HB2 GLU A 80 4.919 -12.112 -10.455 1.00 61.02 H new ATOM 0 HB3 GLU A 80 6.519 -12.473 -11.074 1.00 61.02 H new ATOM 0 HG2 GLU A 80 5.741 -13.289 -8.256 1.00 21.23 H new ATOM 0 HG3 GLU A 80 5.259 -14.260 -9.632 1.00 21.23 H new ATOM 1368 N VAL A 81 5.770 -9.109 -8.141 1.00 4.51 N ATOM 1369 CA VAL A 81 5.041 -8.382 -7.100 1.00 21.23 C ATOM 1370 C VAL A 81 4.293 -7.206 -7.747 1.00 34.04 C ATOM 1371 O VAL A 81 4.853 -6.484 -8.592 1.00 70.54 O ATOM 1372 CB VAL A 81 6.011 -7.898 -5.948 1.00 25.51 C ATOM 1373 CG1 VAL A 81 7.181 -7.042 -6.491 1.00 14.52 C ATOM 1374 CG2 VAL A 81 5.235 -7.161 -4.817 1.00 5.54 C ATOM 0 H VAL A 81 6.432 -8.525 -8.652 1.00 4.51 H new ATOM 0 HA VAL A 81 4.317 -9.049 -6.632 1.00 21.23 H new ATOM 0 HB VAL A 81 6.453 -8.793 -5.510 1.00 25.51 H new ATOM 0 HG11 VAL A 81 7.820 -6.733 -5.664 1.00 14.52 H new ATOM 0 HG12 VAL A 81 7.764 -7.630 -7.200 1.00 14.52 H new ATOM 0 HG13 VAL A 81 6.784 -6.159 -6.992 1.00 14.52 H new ATOM 0 HG21 VAL A 81 5.934 -6.843 -4.043 1.00 5.54 H new ATOM 0 HG22 VAL A 81 4.731 -6.288 -5.231 1.00 5.54 H new ATOM 0 HG23 VAL A 81 4.496 -7.835 -4.384 1.00 5.54 H new ATOM 1384 N GLU A 82 3.016 -7.048 -7.375 1.00 72.52 N ATOM 1385 CA GLU A 82 2.143 -5.998 -7.900 1.00 33.23 C ATOM 1386 C GLU A 82 1.298 -5.416 -6.751 1.00 41.35 C ATOM 1387 O GLU A 82 0.392 -6.074 -6.251 1.00 51.05 O ATOM 1388 CB GLU A 82 1.238 -6.560 -9.035 1.00 24.31 C ATOM 1389 CG GLU A 82 0.313 -5.521 -9.704 1.00 11.34 C ATOM 1390 CD GLU A 82 -0.589 -6.126 -10.795 1.00 2.23 C ATOM 1391 OE1 GLU A 82 -0.095 -6.398 -11.910 1.00 74.21 O ATOM 1392 OE2 GLU A 82 -1.790 -6.350 -10.535 1.00 22.33 O ATOM 0 H GLU A 82 2.558 -7.654 -6.694 1.00 72.52 H new ATOM 0 HA GLU A 82 2.750 -5.200 -8.328 1.00 33.23 H new ATOM 0 HB2 GLU A 82 1.874 -7.005 -9.800 1.00 24.31 H new ATOM 0 HB3 GLU A 82 0.623 -7.362 -8.626 1.00 24.31 H new ATOM 0 HG2 GLU A 82 -0.312 -5.056 -8.941 1.00 11.34 H new ATOM 0 HG3 GLU A 82 0.922 -4.731 -10.142 1.00 11.34 H new ATOM 1399 N VAL A 83 1.593 -4.170 -6.355 1.00 4.02 N ATOM 1400 CA VAL A 83 0.897 -3.494 -5.255 1.00 12.02 C ATOM 1401 C VAL A 83 -0.232 -2.634 -5.846 1.00 70.50 C ATOM 1402 O VAL A 83 0.018 -1.644 -6.535 1.00 23.04 O ATOM 1403 CB VAL A 83 1.886 -2.591 -4.420 1.00 45.45 C ATOM 1404 CG1 VAL A 83 1.138 -1.777 -3.337 1.00 63.22 C ATOM 1405 CG2 VAL A 83 3.018 -3.445 -3.797 1.00 12.11 C ATOM 0 H VAL A 83 2.321 -3.603 -6.789 1.00 4.02 H new ATOM 0 HA VAL A 83 0.487 -4.244 -4.578 1.00 12.02 H new ATOM 0 HB VAL A 83 2.340 -1.876 -5.106 1.00 45.45 H new ATOM 0 HG11 VAL A 83 1.851 -1.167 -2.782 1.00 63.22 H new ATOM 0 HG12 VAL A 83 0.401 -1.130 -3.812 1.00 63.22 H new ATOM 0 HG13 VAL A 83 0.634 -2.459 -2.652 1.00 63.22 H new ATOM 0 HG21 VAL A 83 3.687 -2.801 -3.226 1.00 12.11 H new ATOM 0 HG22 VAL A 83 2.585 -4.196 -3.136 1.00 12.11 H new ATOM 0 HG23 VAL A 83 3.579 -3.940 -4.590 1.00 12.11 H new ATOM 1415 N ASN A 84 -1.470 -3.049 -5.572 1.00 64.50 N ATOM 1416 CA ASN A 84 -2.686 -2.423 -6.101 1.00 4.25 C ATOM 1417 C ASN A 84 -3.354 -1.643 -4.972 1.00 52.22 C ATOM 1418 O ASN A 84 -3.928 -2.236 -4.057 1.00 42.53 O ATOM 1419 CB ASN A 84 -3.640 -3.520 -6.636 1.00 22.22 C ATOM 1420 CG ASN A 84 -3.010 -4.377 -7.736 1.00 73.21 C ATOM 1421 OD1 ASN A 84 -3.148 -4.091 -8.920 1.00 21.51 O ATOM 1422 ND2 ASN A 84 -2.282 -5.415 -7.345 1.00 73.54 N ATOM 0 H ASN A 84 -1.661 -3.846 -4.964 1.00 64.50 H new ATOM 0 HA ASN A 84 -2.443 -1.746 -6.920 1.00 4.25 H new ATOM 0 HB2 ASN A 84 -3.943 -4.164 -5.810 1.00 22.22 H new ATOM 0 HB3 ASN A 84 -4.544 -3.050 -7.023 1.00 22.22 H new ATOM 0 HD21 ASN A 84 -1.817 -6.002 -8.038 1.00 73.54 H new ATOM 0 HD22 ASN A 84 -2.187 -5.626 -6.352 1.00 73.54 H new ATOM 1429 N VAL A 85 -3.277 -0.317 -5.039 1.00 43.54 N ATOM 1430 CA VAL A 85 -3.848 0.567 -4.023 1.00 63.44 C ATOM 1431 C VAL A 85 -5.251 0.986 -4.462 1.00 34.20 C ATOM 1432 O VAL A 85 -5.420 1.624 -5.493 1.00 31.32 O ATOM 1433 CB VAL A 85 -2.931 1.821 -3.796 1.00 1.11 C ATOM 1434 CG1 VAL A 85 -3.526 2.765 -2.724 1.00 52.43 C ATOM 1435 CG2 VAL A 85 -1.488 1.377 -3.435 1.00 34.15 C ATOM 0 H VAL A 85 -2.815 0.178 -5.802 1.00 43.54 H new ATOM 0 HA VAL A 85 -3.912 0.036 -3.073 1.00 63.44 H new ATOM 0 HB VAL A 85 -2.884 2.387 -4.727 1.00 1.11 H new ATOM 0 HG11 VAL A 85 -2.868 3.624 -2.590 1.00 52.43 H new ATOM 0 HG12 VAL A 85 -4.509 3.108 -3.047 1.00 52.43 H new ATOM 0 HG13 VAL A 85 -3.621 2.229 -1.780 1.00 52.43 H new ATOM 0 HG21 VAL A 85 -0.864 2.257 -3.281 1.00 34.15 H new ATOM 0 HG22 VAL A 85 -1.508 0.782 -2.522 1.00 34.15 H new ATOM 0 HG23 VAL A 85 -1.077 0.779 -4.249 1.00 34.15 H new ATOM 1445 N HIS A 86 -6.250 0.555 -3.696 1.00 44.14 N ATOM 1446 CA HIS A 86 -7.657 0.928 -3.882 1.00 4.42 C ATOM 1447 C HIS A 86 -8.037 1.889 -2.752 1.00 54.34 C ATOM 1448 O HIS A 86 -7.581 1.710 -1.628 1.00 63.34 O ATOM 1449 CB HIS A 86 -8.550 -0.339 -3.855 1.00 32.12 C ATOM 1450 CG HIS A 86 -8.285 -1.320 -4.983 1.00 60.40 C ATOM 1451 ND1 HIS A 86 -9.185 -1.558 -6.002 1.00 31.21 N ATOM 1452 CD2 HIS A 86 -7.224 -2.134 -5.236 1.00 4.02 C ATOM 1453 CE1 HIS A 86 -8.699 -2.470 -6.821 1.00 60.30 C ATOM 1454 NE2 HIS A 86 -7.509 -2.835 -6.383 1.00 24.02 N ATOM 0 H HIS A 86 -6.104 -0.078 -2.910 1.00 44.14 H new ATOM 0 HA HIS A 86 -7.804 1.413 -4.847 1.00 4.42 H new ATOM 0 HB2 HIS A 86 -8.404 -0.851 -2.904 1.00 32.12 H new ATOM 0 HB3 HIS A 86 -9.595 -0.032 -3.895 1.00 32.12 H new ATOM 0 HD2 HIS A 86 -6.324 -2.214 -4.644 1.00 4.02 H new ATOM 0 HE1 HIS A 86 -9.192 -2.854 -7.702 1.00 60.30 H new ATOM 0 HE2 HIS A 86 -6.900 -3.525 -6.824 1.00 24.02 H new ATOM 1463 N SER A 87 -8.827 2.922 -3.062 1.00 20.12 N ATOM 1464 CA SER A 87 -9.314 3.883 -2.064 1.00 44.03 C ATOM 1465 C SER A 87 -10.565 4.609 -2.586 1.00 40.12 C ATOM 1466 O SER A 87 -10.469 5.487 -3.458 1.00 4.14 O ATOM 1467 CB SER A 87 -8.187 4.878 -1.677 1.00 3.42 C ATOM 1468 OG SER A 87 -7.612 5.486 -2.822 1.00 13.30 O ATOM 0 H SER A 87 -9.147 3.116 -4.011 1.00 20.12 H new ATOM 0 HA SER A 87 -9.600 3.345 -1.161 1.00 44.03 H new ATOM 0 HB2 SER A 87 -8.591 5.648 -1.019 1.00 3.42 H new ATOM 0 HB3 SER A 87 -7.414 4.353 -1.116 1.00 3.42 H new ATOM 0 HG SER A 87 -8.321 5.729 -3.454 1.00 13.30 H new ATOM 1474 N GLY A 88 -11.740 4.200 -2.062 1.00 74.13 N ATOM 1475 CA GLY A 88 -13.025 4.844 -2.371 1.00 51.12 C ATOM 1476 C GLY A 88 -13.411 4.793 -3.854 1.00 5.34 C ATOM 1477 O GLY A 88 -14.098 5.696 -4.351 1.00 30.31 O ATOM 0 H GLY A 88 -11.820 3.416 -1.415 1.00 74.13 H new ATOM 0 HA2 GLY A 88 -13.809 4.364 -1.786 1.00 51.12 H new ATOM 0 HA3 GLY A 88 -12.983 5.886 -2.053 1.00 51.12 H new ATOM 1481 N GLY A 89 -12.956 3.739 -4.555 1.00 1.32 N ATOM 1482 CA GLY A 89 -13.233 3.552 -5.986 1.00 54.42 C ATOM 1483 C GLY A 89 -12.000 3.735 -6.863 1.00 12.00 C ATOM 1484 O GLY A 89 -11.914 3.143 -7.948 1.00 24.13 O ATOM 0 H GLY A 89 -12.388 2.997 -4.145 1.00 1.32 H new ATOM 0 HA2 GLY A 89 -13.639 2.553 -6.144 1.00 54.42 H new ATOM 0 HA3 GLY A 89 -14.001 4.260 -6.297 1.00 54.42 H new ATOM 1488 N GLN A 90 -11.036 4.553 -6.397 1.00 55.43 N ATOM 1489 CA GLN A 90 -9.800 4.859 -7.152 1.00 5.44 C ATOM 1490 C GLN A 90 -8.786 3.703 -7.002 1.00 65.13 C ATOM 1491 O GLN A 90 -8.691 3.103 -5.939 1.00 33.55 O ATOM 1492 CB GLN A 90 -9.177 6.191 -6.651 1.00 25.10 C ATOM 1493 CG GLN A 90 -10.129 7.412 -6.690 1.00 14.13 C ATOM 1494 CD GLN A 90 -9.457 8.764 -6.375 1.00 23.34 C ATOM 1495 OE1 GLN A 90 -9.869 9.809 -6.881 1.00 25.21 O ATOM 1496 NE2 GLN A 90 -8.435 8.764 -5.526 1.00 21.20 N ATOM 0 H GLN A 90 -11.089 5.019 -5.491 1.00 55.43 H new ATOM 0 HA GLN A 90 -10.052 4.970 -8.207 1.00 5.44 H new ATOM 0 HB2 GLN A 90 -8.831 6.051 -5.627 1.00 25.10 H new ATOM 0 HB3 GLN A 90 -8.298 6.414 -7.256 1.00 25.10 H new ATOM 0 HG2 GLN A 90 -10.584 7.469 -7.679 1.00 14.13 H new ATOM 0 HG3 GLN A 90 -10.937 7.248 -5.977 1.00 14.13 H new ATOM 0 HE21 GLN A 90 -8.110 7.887 -5.119 1.00 21.20 H new ATOM 0 HE22 GLN A 90 -7.975 9.641 -5.281 1.00 21.20 H new ATOM 1505 N THR A 91 -8.044 3.393 -8.081 1.00 73.32 N ATOM 1506 CA THR A 91 -7.090 2.271 -8.120 1.00 33.22 C ATOM 1507 C THR A 91 -5.775 2.690 -8.813 1.00 72.13 C ATOM 1508 O THR A 91 -5.789 3.447 -9.790 1.00 11.54 O ATOM 1509 CB THR A 91 -7.721 1.032 -8.852 1.00 21.45 C ATOM 1510 OG1 THR A 91 -8.922 0.614 -8.177 1.00 74.22 O ATOM 1511 CG2 THR A 91 -6.759 -0.169 -8.923 1.00 52.41 C ATOM 0 H THR A 91 -8.090 3.917 -8.955 1.00 73.32 H new ATOM 0 HA THR A 91 -6.861 1.988 -7.092 1.00 33.22 H new ATOM 0 HB THR A 91 -7.941 1.354 -9.870 1.00 21.45 H new ATOM 0 HG1 THR A 91 -8.689 0.025 -7.430 1.00 74.22 H new ATOM 0 HG21 THR A 91 -7.247 -0.996 -9.439 1.00 52.41 H new ATOM 0 HG22 THR A 91 -5.859 0.117 -9.467 1.00 52.41 H new ATOM 0 HG23 THR A 91 -6.489 -0.479 -7.914 1.00 52.41 H new ATOM 1519 N TRP A 92 -4.643 2.215 -8.266 1.00 61.43 N ATOM 1520 CA TRP A 92 -3.300 2.391 -8.848 1.00 73.00 C ATOM 1521 C TRP A 92 -2.595 1.031 -8.848 1.00 1.23 C ATOM 1522 O TRP A 92 -2.347 0.463 -7.777 1.00 64.10 O ATOM 1523 CB TRP A 92 -2.458 3.405 -8.025 1.00 74.32 C ATOM 1524 CG TRP A 92 -3.029 4.805 -7.974 1.00 62.11 C ATOM 1525 CD1 TRP A 92 -2.750 5.855 -8.808 1.00 4.13 C ATOM 1526 CD2 TRP A 92 -3.984 5.294 -7.029 1.00 31.22 C ATOM 1527 NE1 TRP A 92 -3.492 6.950 -8.444 1.00 74.23 N ATOM 1528 CE2 TRP A 92 -4.256 6.630 -7.357 1.00 64.30 C ATOM 1529 CE3 TRP A 92 -4.645 4.714 -5.947 1.00 4.35 C ATOM 1530 CZ2 TRP A 92 -5.154 7.400 -6.631 1.00 12.31 C ATOM 1531 CZ3 TRP A 92 -5.532 5.474 -5.230 1.00 11.21 C ATOM 1532 CH2 TRP A 92 -5.784 6.802 -5.582 1.00 42.11 C ATOM 0 H TRP A 92 -4.635 1.689 -7.392 1.00 61.43 H new ATOM 0 HA TRP A 92 -3.400 2.780 -9.861 1.00 73.00 H new ATOM 0 HB2 TRP A 92 -2.357 3.031 -7.006 1.00 74.32 H new ATOM 0 HB3 TRP A 92 -1.455 3.451 -8.448 1.00 74.32 H new ATOM 0 HD1 TRP A 92 -2.050 5.825 -9.630 1.00 4.13 H new ATOM 0 HE1 TRP A 92 -3.476 7.857 -8.910 1.00 74.23 H new ATOM 0 HE3 TRP A 92 -4.461 3.684 -5.679 1.00 4.35 H new ATOM 0 HZ2 TRP A 92 -5.345 8.431 -6.888 1.00 12.31 H new ATOM 0 HZ3 TRP A 92 -6.042 5.041 -4.382 1.00 11.21 H new ATOM 0 HH2 TRP A 92 -6.499 7.371 -5.006 1.00 42.11 H new ATOM 1543 N THR A 93 -2.294 0.505 -10.040 1.00 53.21 N ATOM 1544 CA THR A 93 -1.617 -0.786 -10.191 1.00 25.03 C ATOM 1545 C THR A 93 -0.099 -0.558 -10.368 1.00 13.22 C ATOM 1546 O THR A 93 0.350 -0.094 -11.422 1.00 3.22 O ATOM 1547 CB THR A 93 -2.211 -1.591 -11.401 1.00 21.34 C ATOM 1548 OG1 THR A 93 -2.055 -0.852 -12.621 1.00 62.35 O ATOM 1549 CG2 THR A 93 -3.707 -1.908 -11.217 1.00 74.00 C ATOM 0 H THR A 93 -2.513 0.962 -10.925 1.00 53.21 H new ATOM 0 HA THR A 93 -1.780 -1.379 -9.291 1.00 25.03 H new ATOM 0 HB THR A 93 -1.658 -2.529 -11.447 1.00 21.34 H new ATOM 0 HG1 THR A 93 -1.197 -0.379 -12.609 1.00 62.35 H new ATOM 0 HG21 THR A 93 -4.070 -2.466 -12.081 1.00 74.00 H new ATOM 0 HG22 THR A 93 -3.844 -2.505 -10.316 1.00 74.00 H new ATOM 0 HG23 THR A 93 -4.267 -0.978 -11.124 1.00 74.00 H new ATOM 1557 N PHE A 94 0.669 -0.822 -9.301 1.00 63.41 N ATOM 1558 CA PHE A 94 2.144 -0.757 -9.315 1.00 64.35 C ATOM 1559 C PHE A 94 2.688 -2.171 -9.461 1.00 72.34 C ATOM 1560 O PHE A 94 2.241 -3.056 -8.761 1.00 15.30 O ATOM 1561 CB PHE A 94 2.686 -0.130 -8.001 1.00 61.05 C ATOM 1562 CG PHE A 94 2.223 1.297 -7.764 1.00 45.21 C ATOM 1563 CD1 PHE A 94 2.840 2.364 -8.414 1.00 63.43 C ATOM 1564 CD2 PHE A 94 1.169 1.571 -6.899 1.00 71.50 C ATOM 1565 CE1 PHE A 94 2.419 3.659 -8.205 1.00 71.33 C ATOM 1566 CE2 PHE A 94 0.751 2.860 -6.689 1.00 4.11 C ATOM 1567 CZ PHE A 94 1.371 3.909 -7.342 1.00 0.34 C ATOM 0 H PHE A 94 0.284 -1.089 -8.395 1.00 63.41 H new ATOM 0 HA PHE A 94 2.465 -0.132 -10.148 1.00 64.35 H new ATOM 0 HB2 PHE A 94 2.373 -0.748 -7.159 1.00 61.05 H new ATOM 0 HB3 PHE A 94 3.776 -0.149 -8.023 1.00 61.05 H new ATOM 0 HD1 PHE A 94 3.660 2.173 -9.091 1.00 63.43 H new ATOM 0 HD2 PHE A 94 0.674 0.759 -6.387 1.00 71.50 H new ATOM 0 HE1 PHE A 94 2.907 4.476 -8.715 1.00 71.33 H new ATOM 0 HE2 PHE A 94 -0.066 3.057 -6.011 1.00 4.11 H new ATOM 0 HZ PHE A 94 1.036 4.922 -7.177 1.00 0.34 H new ATOM 1577 N ASN A 95 3.640 -2.374 -10.365 1.00 2.30 N ATOM 1578 CA ASN A 95 4.264 -3.688 -10.603 1.00 53.32 C ATOM 1579 C ASN A 95 5.760 -3.505 -10.871 1.00 54.30 C ATOM 1580 O ASN A 95 6.196 -2.397 -11.219 1.00 43.53 O ATOM 1581 CB ASN A 95 3.553 -4.434 -11.762 1.00 14.31 C ATOM 1582 CG ASN A 95 3.511 -3.641 -13.072 1.00 13.13 C ATOM 1583 OD1 ASN A 95 4.408 -3.746 -13.904 1.00 11.23 O ATOM 1584 ND2 ASN A 95 2.474 -2.825 -13.252 1.00 14.52 N ATOM 0 H ASN A 95 4.009 -1.633 -10.961 1.00 2.30 H new ATOM 0 HA ASN A 95 4.152 -4.308 -9.713 1.00 53.32 H new ATOM 0 HB2 ASN A 95 4.061 -5.382 -11.938 1.00 14.31 H new ATOM 0 HB3 ASN A 95 2.533 -4.671 -11.458 1.00 14.31 H new ATOM 0 HD21 ASN A 95 2.408 -2.264 -14.101 1.00 14.52 H new ATOM 0 HD22 ASN A 95 1.746 -2.761 -12.541 1.00 14.52 H new ATOM 1591 N GLU A 96 6.544 -4.586 -10.669 1.00 64.11 N ATOM 1592 CA GLU A 96 8.003 -4.565 -10.887 1.00 4.15 C ATOM 1593 C GLU A 96 8.285 -4.251 -12.375 1.00 54.52 C ATOM 1594 O GLU A 96 7.709 -4.882 -13.265 1.00 32.30 O ATOM 1595 CB GLU A 96 8.638 -5.927 -10.461 1.00 43.43 C ATOM 1596 CG GLU A 96 10.060 -5.846 -9.837 1.00 3.50 C ATOM 1597 CD GLU A 96 11.109 -5.152 -10.726 1.00 14.12 C ATOM 1598 OE1 GLU A 96 11.570 -4.045 -10.383 1.00 23.43 O ATOM 1599 OE2 GLU A 96 11.467 -5.703 -11.786 1.00 61.25 O ATOM 0 H GLU A 96 6.186 -5.488 -10.354 1.00 64.11 H new ATOM 0 HA GLU A 96 8.458 -3.789 -10.272 1.00 4.15 H new ATOM 0 HB2 GLU A 96 7.974 -6.407 -9.743 1.00 43.43 H new ATOM 0 HB3 GLU A 96 8.682 -6.575 -11.336 1.00 43.43 H new ATOM 0 HG2 GLU A 96 9.997 -5.313 -8.888 1.00 3.50 H new ATOM 0 HG3 GLU A 96 10.403 -6.856 -9.613 1.00 3.50 H new ATOM 1606 N LYS A 97 9.159 -3.268 -12.615 1.00 51.45 N ATOM 1607 CA LYS A 97 9.462 -2.748 -13.962 1.00 20.45 C ATOM 1608 C LYS A 97 10.945 -2.331 -14.063 1.00 74.04 C ATOM 1609 O LYS A 97 11.547 -2.516 -15.131 1.00 21.52 O ATOM 1610 CB LYS A 97 8.475 -1.586 -14.350 1.00 73.54 C ATOM 1611 CG LYS A 97 8.099 -0.587 -13.213 1.00 43.42 C ATOM 1612 CD LYS A 97 9.175 0.478 -12.924 1.00 61.31 C ATOM 1613 CE LYS A 97 8.858 1.317 -11.673 1.00 55.42 C ATOM 1614 NZ LYS A 97 9.888 2.357 -11.433 1.00 13.02 N ATOM 1615 OXT LYS A 97 11.514 -1.871 -13.058 1.00 37.96 O ATOM 0 H LYS A 97 9.684 -2.803 -11.875 1.00 51.45 H new ATOM 0 HA LYS A 97 9.307 -3.544 -14.691 1.00 20.45 H new ATOM 0 HB2 LYS A 97 8.919 -1.020 -15.169 1.00 73.54 H new ATOM 0 HB3 LYS A 97 7.556 -2.031 -14.731 1.00 73.54 H new ATOM 0 HG2 LYS A 97 7.169 -0.084 -13.479 1.00 43.42 H new ATOM 0 HG3 LYS A 97 7.907 -1.150 -12.300 1.00 43.42 H new ATOM 0 HD2 LYS A 97 10.140 -0.012 -12.793 1.00 61.31 H new ATOM 0 HD3 LYS A 97 9.267 1.139 -13.786 1.00 61.31 H new ATOM 0 HE2 LYS A 97 7.883 1.791 -11.790 1.00 55.42 H new ATOM 0 HE3 LYS A 97 8.792 0.663 -10.804 1.00 55.42 H new ATOM 0 HZ1 LYS A 97 9.640 2.901 -10.582 1.00 13.02 H new ATOM 0 HZ2 LYS A 97 10.814 1.904 -11.296 1.00 13.02 H new ATOM 0 HZ3 LYS A 97 9.933 2.996 -12.252 1.00 13.02 H new TER 1629 LYS A 97