USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 595 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 8 MET CE :methyl 159:sc= 0 (180deg=-0.0747) USER MOD Set 1.2: A 76 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 78 HIS : no HE2:sc= -0.856 K(o=-0.86,f=-1.8) USER MOD Set 2.1: A 67 SER OG : rot 55:sc= 0.359 USER MOD Set 2.2: A 74 LYS NZ :NH3+ -125:sc=-0.00204 (180deg=-1.35) USER MOD Set 3.1: A 25 HIS : no HD1:sc= 0.416 K(o=0.98,f=-1.5) USER MOD Set 3.2: A 64 ASN : amide:sc= 0.56 K(o=0.98,f=-0.68) USER MOD Set 4.1: A 61 MET CE :methyl -156:sc= 0 (180deg=-0.194) USER MOD Set 4.2: A 66 HIS : no HD1:sc= -0.366 X(o=-0.37,f=-0.16) USER MOD Set 5.1: A 28 GLN : amide:sc= 1.02 K(o=1.3,f=-4.1!) USER MOD Set 5.2: A 53 HIS : no HE2:sc= 0.263 K(o=1.3,f=-4.2) USER MOD Set 6.1: A 37 ASN : amide:sc= -0.817 K(o=-0.82,f=0.63) USER MOD Set 6.2: A 40 SER OG : rot 180:sc=-0.00062 USER MOD Single : A 1 SER N :NH3+ -116:sc= 0.148 (180deg=0) USER MOD Single : A 1 SER OG : rot -32:sc= 1.26 USER MOD Single : A 2 ASN : amide:sc= 0.822 K(o=0.82,f=-0.033) USER MOD Single : A 5 MET CE :methyl 163:sc= -0.0825 (180deg=-0.698) USER MOD Single : A 11 GLN : amide:sc= -0.0773 X(o=-0.077,f=-0.077) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 23 GLN : amide:sc= -0.636 K(o=-0.64,f=-0.02) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 164:sc= -0.12 (180deg=-0.761) USER MOD Single : A 38 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0331) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -1.19 K(o=-1.2,f=-2.7!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= -0.0134 USER MOD Single : A 55 GLN : amide:sc= -0.509 K(o=-0.51,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0349 USER MOD Single : A 65 GLN : amide:sc= 0.52 K(o=0.52,f=0) USER MOD Single : A 69 ASN : amide:sc= 0.303 K(o=0.3,f=-1.6!) USER MOD Single : A 73 GLN : amide:sc= -1.52 K(o=-1.5,f=-0.28) USER MOD Single : A 77 MET CE :methyl -162:sc= -0.0799 (180deg=-0.281) USER MOD Single : A 79 TYR OH : rot 180:sc=-0.00724 USER MOD Single : A 80 SER OG : rot -119:sc=0.000241 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.016) USER MOD Single : A 87 ASN : amide:sc= -0.297 X(o=-0.3,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -6.500 9.209 -2.518 1.00 50.14 N ATOM 2 CA SER A 1 -6.684 7.792 -2.174 1.00 71.31 C ATOM 3 C SER A 1 -6.030 7.489 -0.833 1.00 44.52 C ATOM 4 O SER A 1 -5.229 8.296 -0.374 1.00 2.52 O ATOM 5 CB SER A 1 -6.119 6.908 -3.287 1.00 65.05 C ATOM 6 OG SER A 1 -6.866 7.065 -4.486 1.00 22.42 O ATOM 0 H1 SER A 1 -7.426 9.681 -2.553 1.00 50.14 H new ATOM 0 H2 SER A 1 -5.906 9.667 -1.798 1.00 50.14 H new ATOM 0 H3 SER A 1 -6.038 9.284 -3.447 1.00 50.14 H new ATOM 0 HA SER A 1 -7.748 7.576 -2.081 1.00 71.31 H new ATOM 0 HB2 SER A 1 -5.075 7.166 -3.467 1.00 65.05 H new ATOM 0 HB3 SER A 1 -6.140 5.864 -2.974 1.00 65.05 H new ATOM 0 HG SER A 1 -7.802 7.256 -4.266 1.00 22.42 H new ATOM 11 N ASN A 2 -6.387 6.380 -0.171 1.00 43.12 N ATOM 12 CA ASN A 2 -5.748 5.938 1.075 1.00 44.54 C ATOM 13 C ASN A 2 -5.393 4.459 1.019 1.00 50.55 C ATOM 14 O ASN A 2 -5.362 3.808 2.056 1.00 32.33 O ATOM 15 CB ASN A 2 -6.589 6.242 2.334 1.00 4.33 C ATOM 16 CG ASN A 2 -7.846 5.382 2.491 1.00 32.02 C ATOM 17 OD1 ASN A 2 -8.817 5.520 1.751 1.00 70.32 O ATOM 18 ND2 ASN A 2 -7.899 4.528 3.497 1.00 63.25 N ATOM 0 H ASN A 2 -7.133 5.760 -0.488 1.00 43.12 H new ATOM 0 HA ASN A 2 -4.831 6.520 1.161 1.00 44.54 H new ATOM 0 HB2 ASN A 2 -5.961 6.106 3.214 1.00 4.33 H new ATOM 0 HB3 ASN A 2 -6.884 7.291 2.312 1.00 4.33 H new ATOM 0 HD21 ASN A 2 -8.746 3.983 3.659 1.00 63.25 H new ATOM 0 HD22 ASN A 2 -7.093 4.413 4.112 1.00 63.25 H new ATOM 24 N ILE A 3 -5.131 3.904 -0.161 1.00 45.44 N ATOM 25 CA ILE A 3 -4.682 2.522 -0.288 1.00 5.32 C ATOM 26 C ILE A 3 -3.497 2.506 -1.229 1.00 21.12 C ATOM 27 O ILE A 3 -3.561 3.138 -2.291 1.00 23.02 O ATOM 28 CB ILE A 3 -5.792 1.565 -0.760 1.00 13.14 C ATOM 29 CG1 ILE A 3 -7.123 1.887 -0.041 1.00 12.42 C ATOM 30 CG2 ILE A 3 -5.341 0.119 -0.509 1.00 31.41 C ATOM 31 CD1 ILE A 3 -8.210 0.824 -0.152 1.00 63.12 C ATOM 0 H ILE A 3 -5.223 4.396 -1.050 1.00 45.44 H new ATOM 0 HA ILE A 3 -4.395 2.153 0.697 1.00 5.32 H new ATOM 0 HB ILE A 3 -5.968 1.693 -1.828 1.00 13.14 H new ATOM 0 HG12 ILE A 3 -6.912 2.056 1.015 1.00 12.42 H new ATOM 0 HG13 ILE A 3 -7.514 2.823 -0.441 1.00 12.42 H new ATOM 0 HG21 ILE A 3 -6.120 -0.568 -0.840 1.00 31.41 H new ATOM 0 HG22 ILE A 3 -4.424 -0.078 -1.065 1.00 31.41 H new ATOM 0 HG23 ILE A 3 -5.158 -0.025 0.556 1.00 31.41 H new ATOM 0 HD11 ILE A 3 -9.098 1.154 0.388 1.00 63.12 H new ATOM 0 HD12 ILE A 3 -8.461 0.668 -1.201 1.00 63.12 H new ATOM 0 HD13 ILE A 3 -7.850 -0.111 0.278 1.00 63.12 H new ATOM 42 N VAL A 4 -2.427 1.805 -0.859 1.00 14.43 N ATOM 43 CA VAL A 4 -1.255 1.737 -1.709 1.00 12.23 C ATOM 44 C VAL A 4 -1.088 0.259 -2.037 1.00 5.11 C ATOM 45 O VAL A 4 -0.966 -0.573 -1.137 1.00 32.34 O ATOM 46 CB VAL A 4 -0.083 2.501 -1.073 1.00 62.02 C ATOM 47 CG1 VAL A 4 0.902 2.879 -2.179 1.00 45.22 C ATOM 48 CG2 VAL A 4 -0.554 3.790 -0.369 1.00 1.10 C ATOM 0 H VAL A 4 -2.353 1.284 0.015 1.00 14.43 H new ATOM 0 HA VAL A 4 -1.332 2.256 -2.664 1.00 12.23 H new ATOM 0 HB VAL A 4 0.382 1.858 -0.326 1.00 62.02 H new ATOM 0 HG11 VAL A 4 1.742 3.423 -1.748 1.00 45.22 H new ATOM 0 HG12 VAL A 4 1.267 1.975 -2.666 1.00 45.22 H new ATOM 0 HG13 VAL A 4 0.400 3.509 -2.913 1.00 45.22 H new ATOM 0 HG21 VAL A 4 0.304 4.301 0.067 1.00 1.10 H new ATOM 0 HG22 VAL A 4 -1.036 4.445 -1.094 1.00 1.10 H new ATOM 0 HG23 VAL A 4 -1.264 3.536 0.418 1.00 1.10 H new ATOM 58 N MET A 5 -1.232 -0.091 -3.315 1.00 64.14 N ATOM 59 CA MET A 5 -0.834 -1.401 -3.805 1.00 42.32 C ATOM 60 C MET A 5 0.660 -1.322 -4.038 1.00 41.11 C ATOM 61 O MET A 5 1.090 -0.424 -4.762 1.00 62.45 O ATOM 62 CB MET A 5 -1.539 -1.760 -5.122 1.00 74.54 C ATOM 63 CG MET A 5 -2.442 -2.974 -4.895 1.00 31.35 C ATOM 64 SD MET A 5 -3.246 -3.678 -6.362 1.00 31.44 S ATOM 65 CE MET A 5 -1.810 -4.068 -7.379 1.00 40.11 C ATOM 0 H MET A 5 -1.624 0.522 -4.030 1.00 64.14 H new ATOM 0 HA MET A 5 -1.106 -2.171 -3.083 1.00 42.32 H new ATOM 0 HB2 MET A 5 -2.129 -0.914 -5.475 1.00 74.54 H new ATOM 0 HB3 MET A 5 -0.802 -1.979 -5.895 1.00 74.54 H new ATOM 0 HG2 MET A 5 -1.847 -3.757 -4.424 1.00 31.35 H new ATOM 0 HG3 MET A 5 -3.218 -2.692 -4.184 1.00 31.35 H new ATOM 0 HE1 MET A 5 -2.099 -4.768 -8.163 1.00 40.11 H new ATOM 0 HE2 MET A 5 -1.426 -3.154 -7.832 1.00 40.11 H new ATOM 0 HE3 MET A 5 -1.036 -4.519 -6.758 1.00 40.11 H new ATOM 73 N LEU A 6 1.431 -2.239 -3.454 1.00 0.21 N ATOM 74 CA LEU A 6 2.878 -2.294 -3.632 1.00 61.44 C ATOM 75 C LEU A 6 3.171 -3.488 -4.519 1.00 11.23 C ATOM 76 O LEU A 6 3.038 -4.621 -4.063 1.00 32.50 O ATOM 77 CB LEU A 6 3.639 -2.415 -2.290 1.00 1.40 C ATOM 78 CG LEU A 6 3.498 -1.255 -1.284 1.00 12.11 C ATOM 79 CD1 LEU A 6 3.489 0.099 -1.995 1.00 41.42 C ATOM 80 CD2 LEU A 6 2.286 -1.452 -0.370 1.00 51.42 C ATOM 0 H LEU A 6 1.065 -2.968 -2.841 1.00 0.21 H new ATOM 0 HA LEU A 6 3.222 -1.365 -4.086 1.00 61.44 H new ATOM 0 HB2 LEU A 6 3.309 -3.329 -1.797 1.00 1.40 H new ATOM 0 HB3 LEU A 6 4.698 -2.539 -2.514 1.00 1.40 H new ATOM 0 HG LEU A 6 4.376 -1.260 -0.638 1.00 12.11 H new ATOM 0 HD11 LEU A 6 3.388 0.896 -1.258 1.00 41.42 H new ATOM 0 HD12 LEU A 6 4.422 0.228 -2.544 1.00 41.42 H new ATOM 0 HD13 LEU A 6 2.650 0.139 -2.690 1.00 41.42 H new ATOM 0 HD21 LEU A 6 2.216 -0.617 0.327 1.00 51.42 H new ATOM 0 HD22 LEU A 6 1.379 -1.498 -0.973 1.00 51.42 H new ATOM 0 HD23 LEU A 6 2.398 -2.381 0.188 1.00 51.42 H new ATOM 91 N ARG A 7 3.462 -3.262 -5.799 1.00 43.14 N ATOM 92 CA ARG A 7 3.686 -4.325 -6.779 1.00 3.34 C ATOM 93 C ARG A 7 5.154 -4.720 -6.835 1.00 52.03 C ATOM 94 O ARG A 7 6.008 -4.003 -6.327 1.00 54.32 O ATOM 95 CB ARG A 7 3.185 -3.880 -8.162 1.00 51.01 C ATOM 96 CG ARG A 7 1.662 -3.676 -8.177 1.00 23.30 C ATOM 97 CD ARG A 7 1.056 -4.000 -9.545 1.00 33.34 C ATOM 98 NE ARG A 7 1.064 -5.453 -9.796 1.00 61.12 N ATOM 99 CZ ARG A 7 0.390 -6.087 -10.760 1.00 63.54 C ATOM 100 NH1 ARG A 7 -0.400 -5.422 -11.597 1.00 12.13 N ATOM 101 NH2 ARG A 7 0.502 -7.401 -10.874 1.00 20.12 N ATOM 0 H ARG A 7 3.550 -2.324 -6.190 1.00 43.14 H new ATOM 0 HA ARG A 7 3.121 -5.204 -6.469 1.00 3.34 H new ATOM 0 HB2 ARG A 7 3.679 -2.951 -8.446 1.00 51.01 H new ATOM 0 HB3 ARG A 7 3.459 -4.628 -8.906 1.00 51.01 H new ATOM 0 HG2 ARG A 7 1.203 -4.309 -7.418 1.00 23.30 H new ATOM 0 HG3 ARG A 7 1.431 -2.644 -7.913 1.00 23.30 H new ATOM 0 HD2 ARG A 7 0.034 -3.625 -9.592 1.00 33.34 H new ATOM 0 HD3 ARG A 7 1.619 -3.489 -10.326 1.00 33.34 H new ATOM 0 HE ARG A 7 1.637 -6.027 -9.177 1.00 61.12 H new ATOM 0 HH11 ARG A 7 -0.499 -4.411 -11.509 1.00 12.13 H new ATOM 0 HH12 ARG A 7 -0.907 -5.923 -12.327 1.00 12.13 H new ATOM 0 HH21 ARG A 7 1.098 -7.920 -10.229 1.00 20.12 H new ATOM 0 HH22 ARG A 7 -0.008 -7.895 -11.606 1.00 20.12 H new ATOM 112 N MET A 8 5.437 -5.830 -7.525 1.00 12.01 N ATOM 113 CA MET A 8 6.774 -6.378 -7.775 1.00 1.31 C ATOM 114 C MET A 8 7.367 -7.063 -6.534 1.00 14.03 C ATOM 115 O MET A 8 8.581 -7.250 -6.452 1.00 20.14 O ATOM 116 CB MET A 8 7.720 -5.303 -8.364 1.00 13.04 C ATOM 117 CG MET A 8 7.102 -4.528 -9.534 1.00 0.24 C ATOM 118 SD MET A 8 8.261 -4.036 -10.836 1.00 61.34 S ATOM 119 CE MET A 8 9.074 -2.618 -10.058 1.00 60.51 C ATOM 0 H MET A 8 4.702 -6.399 -7.945 1.00 12.01 H new ATOM 0 HA MET A 8 6.667 -7.160 -8.527 1.00 1.31 H new ATOM 0 HB2 MET A 8 7.996 -4.601 -7.577 1.00 13.04 H new ATOM 0 HB3 MET A 8 8.639 -5.782 -8.700 1.00 13.04 H new ATOM 0 HG2 MET A 8 6.319 -5.141 -9.980 1.00 0.24 H new ATOM 0 HG3 MET A 8 6.621 -3.632 -9.141 1.00 0.24 H new ATOM 0 HE1 MET A 8 10.034 -2.438 -10.542 1.00 60.51 H new ATOM 0 HE2 MET A 8 8.444 -1.735 -10.162 1.00 60.51 H new ATOM 0 HE3 MET A 8 9.235 -2.826 -9.000 1.00 60.51 H new ATOM 127 N LEU A 9 6.544 -7.447 -5.549 1.00 35.33 N ATOM 128 CA LEU A 9 7.048 -7.812 -4.230 1.00 22.50 C ATOM 129 C LEU A 9 7.829 -9.132 -4.280 1.00 32.15 C ATOM 130 O LEU A 9 7.395 -10.049 -4.986 1.00 12.14 O ATOM 131 CB LEU A 9 5.832 -7.918 -3.281 1.00 35.34 C ATOM 132 CG LEU A 9 5.920 -7.057 -2.015 1.00 13.01 C ATOM 133 CD1 LEU A 9 6.150 -5.570 -2.312 1.00 4.02 C ATOM 134 CD2 LEU A 9 4.632 -7.206 -1.208 1.00 15.12 C ATOM 0 H LEU A 9 5.531 -7.511 -5.646 1.00 35.33 H new ATOM 0 HA LEU A 9 7.744 -7.054 -3.869 1.00 22.50 H new ATOM 0 HB2 LEU A 9 4.935 -7.636 -3.832 1.00 35.34 H new ATOM 0 HB3 LEU A 9 5.711 -8.960 -2.986 1.00 35.34 H new ATOM 0 HG LEU A 9 6.782 -7.414 -1.451 1.00 13.01 H new ATOM 0 HD11 LEU A 9 6.203 -5.016 -1.375 1.00 4.02 H new ATOM 0 HD12 LEU A 9 7.085 -5.449 -2.859 1.00 4.02 H new ATOM 0 HD13 LEU A 9 5.326 -5.187 -2.914 1.00 4.02 H new ATOM 0 HD21 LEU A 9 4.694 -6.594 -0.308 1.00 15.12 H new ATOM 0 HD22 LEU A 9 3.785 -6.880 -1.811 1.00 15.12 H new ATOM 0 HD23 LEU A 9 4.497 -8.251 -0.928 1.00 15.12 H new ATOM 145 N PRO A 10 8.911 -9.272 -3.488 1.00 15.20 N ATOM 146 CA PRO A 10 9.612 -10.534 -3.317 1.00 73.51 C ATOM 147 C PRO A 10 8.773 -11.474 -2.471 1.00 15.34 C ATOM 148 O PRO A 10 8.109 -11.027 -1.539 1.00 63.53 O ATOM 149 CB PRO A 10 10.901 -10.209 -2.565 1.00 22.31 C ATOM 150 CG PRO A 10 10.596 -8.908 -1.829 1.00 61.32 C ATOM 151 CD PRO A 10 9.545 -8.225 -2.700 1.00 11.12 C ATOM 0 HA PRO A 10 9.809 -11.010 -4.278 1.00 73.51 H new ATOM 0 HB2 PRO A 10 11.167 -11.005 -1.870 1.00 22.31 H new ATOM 0 HB3 PRO A 10 11.741 -10.090 -3.250 1.00 22.31 H new ATOM 0 HG2 PRO A 10 10.219 -9.098 -0.824 1.00 61.32 H new ATOM 0 HG3 PRO A 10 11.488 -8.291 -1.723 1.00 61.32 H new ATOM 0 HD2 PRO A 10 8.811 -7.705 -2.085 1.00 11.12 H new ATOM 0 HD3 PRO A 10 10.005 -7.478 -3.347 1.00 11.12 H new ATOM 156 N GLN A 11 8.925 -12.776 -2.696 1.00 23.54 N ATOM 157 CA GLN A 11 8.247 -13.823 -1.935 1.00 34.23 C ATOM 158 C GLN A 11 8.596 -13.772 -0.449 1.00 24.35 C ATOM 159 O GLN A 11 7.840 -14.300 0.361 1.00 60.44 O ATOM 160 CB GLN A 11 8.645 -15.198 -2.495 1.00 63.42 C ATOM 161 CG GLN A 11 7.681 -16.342 -2.168 1.00 74.21 C ATOM 162 CD GLN A 11 6.320 -16.128 -2.814 1.00 74.11 C ATOM 163 OE1 GLN A 11 6.201 -16.118 -4.042 1.00 15.42 O ATOM 164 NE2 GLN A 11 5.292 -15.950 -2.006 1.00 4.43 N ATOM 0 H GLN A 11 9.535 -13.141 -3.427 1.00 23.54 H new ATOM 0 HA GLN A 11 7.174 -13.660 -2.034 1.00 34.23 H new ATOM 0 HB2 GLN A 11 8.734 -15.119 -3.578 1.00 63.42 H new ATOM 0 HB3 GLN A 11 9.632 -15.456 -2.112 1.00 63.42 H new ATOM 0 HG2 GLN A 11 8.104 -17.285 -2.513 1.00 74.21 H new ATOM 0 HG3 GLN A 11 7.563 -16.422 -1.087 1.00 74.21 H new ATOM 0 HE21 GLN A 11 5.429 -15.965 -0.995 1.00 4.43 H new ATOM 0 HE22 GLN A 11 4.360 -15.798 -2.392 1.00 4.43 H new ATOM 171 N ALA A 12 9.747 -13.194 -0.091 1.00 74.50 N ATOM 172 CA ALA A 12 10.251 -13.174 1.272 1.00 54.42 C ATOM 173 C ALA A 12 9.877 -11.899 2.043 1.00 23.54 C ATOM 174 O ALA A 12 10.180 -11.850 3.235 1.00 55.34 O ATOM 175 CB ALA A 12 11.770 -13.381 1.244 1.00 12.25 C ATOM 0 H ALA A 12 10.359 -12.721 -0.756 1.00 74.50 H new ATOM 0 HA ALA A 12 9.772 -13.989 1.815 1.00 54.42 H new ATOM 0 HB1 ALA A 12 12.158 -13.368 2.263 1.00 12.25 H new ATOM 0 HB2 ALA A 12 11.998 -14.341 0.782 1.00 12.25 H new ATOM 0 HB3 ALA A 12 12.236 -12.581 0.668 1.00 12.25 H new ATOM 181 N ALA A 13 9.242 -10.885 1.433 1.00 40.40 N ATOM 182 CA ALA A 13 8.709 -9.760 2.221 1.00 20.41 C ATOM 183 C ALA A 13 7.683 -10.256 3.255 1.00 32.33 C ATOM 184 O ALA A 13 7.150 -11.353 3.104 1.00 75.41 O ATOM 185 CB ALA A 13 8.052 -8.722 1.310 1.00 60.35 C ATOM 0 H ALA A 13 9.088 -10.819 0.427 1.00 40.40 H new ATOM 0 HA ALA A 13 9.546 -9.296 2.743 1.00 20.41 H new ATOM 0 HB1 ALA A 13 7.666 -7.901 1.914 1.00 60.35 H new ATOM 0 HB2 ALA A 13 8.789 -8.338 0.605 1.00 60.35 H new ATOM 0 HB3 ALA A 13 7.232 -9.186 0.762 1.00 60.35 H new ATOM 191 N THR A 14 7.334 -9.460 4.265 1.00 21.31 N ATOM 192 CA THR A 14 6.293 -9.727 5.251 1.00 34.23 C ATOM 193 C THR A 14 5.532 -8.439 5.548 1.00 50.22 C ATOM 194 O THR A 14 5.659 -7.434 4.845 1.00 23.14 O ATOM 195 CB THR A 14 6.898 -10.350 6.532 1.00 15.31 C ATOM 196 OG1 THR A 14 7.765 -9.412 7.141 1.00 34.23 O ATOM 197 CG2 THR A 14 7.597 -11.693 6.304 1.00 40.41 C ATOM 0 H THR A 14 7.796 -8.564 4.424 1.00 21.31 H new ATOM 0 HA THR A 14 5.588 -10.454 4.848 1.00 34.23 H new ATOM 0 HB THR A 14 6.068 -10.580 7.200 1.00 15.31 H new ATOM 0 HG1 THR A 14 8.149 -9.802 7.954 1.00 34.23 H new ATOM 0 HG21 THR A 14 7.993 -12.062 7.250 1.00 40.41 H new ATOM 0 HG22 THR A 14 6.882 -12.412 5.905 1.00 40.41 H new ATOM 0 HG23 THR A 14 8.414 -11.562 5.595 1.00 40.41 H new ATOM 205 N GLU A 15 4.669 -8.488 6.556 1.00 50.33 N ATOM 206 CA GLU A 15 3.981 -7.345 7.094 1.00 33.21 C ATOM 207 C GLU A 15 4.999 -6.358 7.662 1.00 64.01 C ATOM 208 O GLU A 15 4.839 -5.153 7.502 1.00 74.45 O ATOM 209 CB GLU A 15 3.020 -7.814 8.205 1.00 3.24 C ATOM 210 CG GLU A 15 1.688 -7.044 8.194 1.00 73.21 C ATOM 211 CD GLU A 15 1.006 -7.017 9.573 1.00 10.44 C ATOM 212 OE1 GLU A 15 1.494 -7.627 10.550 1.00 11.14 O ATOM 213 OE2 GLU A 15 -0.050 -6.358 9.712 1.00 71.32 O ATOM 0 H GLU A 15 4.428 -9.359 7.030 1.00 50.33 H new ATOM 0 HA GLU A 15 3.410 -6.850 6.308 1.00 33.21 H new ATOM 0 HB2 GLU A 15 2.822 -8.879 8.084 1.00 3.24 H new ATOM 0 HB3 GLU A 15 3.501 -7.688 9.175 1.00 3.24 H new ATOM 0 HG2 GLU A 15 1.867 -6.021 7.862 1.00 73.21 H new ATOM 0 HG3 GLU A 15 1.015 -7.501 7.469 1.00 73.21 H new ATOM 218 N ASP A 16 6.056 -6.860 8.310 1.00 41.35 N ATOM 219 CA ASP A 16 7.011 -6.032 9.043 1.00 71.32 C ATOM 220 C ASP A 16 7.862 -5.195 8.087 1.00 14.54 C ATOM 221 O ASP A 16 8.182 -4.036 8.352 1.00 71.12 O ATOM 222 CB ASP A 16 7.894 -6.910 9.931 1.00 71.21 C ATOM 223 CG ASP A 16 8.593 -6.035 10.964 1.00 13.24 C ATOM 224 OD1 ASP A 16 7.895 -5.572 11.896 1.00 5.21 O ATOM 225 OD2 ASP A 16 9.820 -5.818 10.832 1.00 44.13 O ATOM 0 H ASP A 16 6.271 -7.857 8.339 1.00 41.35 H new ATOM 0 HA ASP A 16 6.453 -5.343 9.677 1.00 71.32 H new ATOM 0 HB2 ASP A 16 7.290 -7.669 10.429 1.00 71.21 H new ATOM 0 HB3 ASP A 16 8.631 -7.437 9.324 1.00 71.21 H new ATOM 229 N ASP A 17 8.120 -5.750 6.905 1.00 73.04 N ATOM 230 CA ASP A 17 8.747 -5.094 5.759 1.00 53.21 C ATOM 231 C ASP A 17 7.907 -3.949 5.187 1.00 24.10 C ATOM 232 O ASP A 17 8.360 -3.217 4.306 1.00 71.53 O ATOM 233 CB ASP A 17 8.925 -6.124 4.646 1.00 23.53 C ATOM 234 CG ASP A 17 10.196 -6.963 4.761 1.00 30.50 C ATOM 235 OD1 ASP A 17 11.315 -6.402 4.757 1.00 62.11 O ATOM 236 OD2 ASP A 17 10.057 -8.201 4.848 1.00 32.43 O ATOM 0 H ASP A 17 7.884 -6.723 6.710 1.00 73.04 H new ATOM 0 HA ASP A 17 9.693 -4.681 6.109 1.00 53.21 H new ATOM 0 HB2 ASP A 17 8.063 -6.791 4.643 1.00 23.53 H new ATOM 0 HB3 ASP A 17 8.931 -5.607 3.686 1.00 23.53 H new ATOM 240 N ILE A 18 6.662 -3.805 5.631 1.00 62.23 N ATOM 241 CA ILE A 18 5.848 -2.628 5.376 1.00 23.01 C ATOM 242 C ILE A 18 5.841 -1.837 6.676 1.00 22.20 C ATOM 243 O ILE A 18 6.086 -0.642 6.649 1.00 4.22 O ATOM 244 CB ILE A 18 4.442 -3.016 4.856 1.00 51.24 C ATOM 245 CG1 ILE A 18 4.574 -3.913 3.608 1.00 31.01 C ATOM 246 CG2 ILE A 18 3.592 -1.767 4.519 1.00 64.41 C ATOM 247 CD1 ILE A 18 3.307 -4.655 3.198 1.00 31.13 C ATOM 0 H ILE A 18 6.186 -4.516 6.186 1.00 62.23 H new ATOM 0 HA ILE A 18 6.254 -2.006 4.578 1.00 23.01 H new ATOM 0 HB ILE A 18 3.932 -3.562 5.649 1.00 51.24 H new ATOM 0 HG12 ILE A 18 4.900 -3.296 2.771 1.00 31.01 H new ATOM 0 HG13 ILE A 18 5.361 -4.645 3.790 1.00 31.01 H new ATOM 0 HG21 ILE A 18 2.613 -2.080 4.157 1.00 64.41 H new ATOM 0 HG22 ILE A 18 3.470 -1.157 5.414 1.00 64.41 H new ATOM 0 HG23 ILE A 18 4.094 -1.183 3.748 1.00 64.41 H new ATOM 0 HD11 ILE A 18 3.508 -5.256 2.311 1.00 31.13 H new ATOM 0 HD12 ILE A 18 2.987 -5.305 4.012 1.00 31.13 H new ATOM 0 HD13 ILE A 18 2.519 -3.935 2.977 1.00 31.13 H new ATOM 258 N ARG A 19 5.616 -2.483 7.820 1.00 74.12 N ATOM 259 CA ARG A 19 5.357 -1.793 9.094 1.00 2.34 C ATOM 260 C ARG A 19 6.539 -0.950 9.571 1.00 64.15 C ATOM 261 O ARG A 19 6.326 0.034 10.279 1.00 30.43 O ATOM 262 CB ARG A 19 4.905 -2.766 10.191 1.00 11.40 C ATOM 263 CG ARG A 19 3.457 -3.240 9.980 1.00 52.44 C ATOM 264 CD ARG A 19 3.044 -4.272 11.041 1.00 64.14 C ATOM 265 NE ARG A 19 1.585 -4.341 11.271 1.00 72.23 N ATOM 266 CZ ARG A 19 0.856 -3.391 11.872 1.00 25.42 C ATOM 267 NH1 ARG A 19 1.442 -2.320 12.387 1.00 5.41 N ATOM 268 NH2 ARG A 19 -0.467 -3.470 11.921 1.00 72.31 N ATOM 0 H ARG A 19 5.607 -3.500 7.895 1.00 74.12 H new ATOM 0 HA ARG A 19 4.538 -1.103 8.892 1.00 2.34 H new ATOM 0 HB2 ARG A 19 5.570 -3.629 10.207 1.00 11.40 H new ATOM 0 HB3 ARG A 19 4.990 -2.281 11.163 1.00 11.40 H new ATOM 0 HG2 ARG A 19 2.783 -2.384 10.021 1.00 52.44 H new ATOM 0 HG3 ARG A 19 3.357 -3.677 8.987 1.00 52.44 H new ATOM 0 HD2 ARG A 19 3.401 -5.256 10.736 1.00 64.14 H new ATOM 0 HD3 ARG A 19 3.540 -4.031 11.981 1.00 64.14 H new ATOM 0 HE ARG A 19 1.096 -5.176 10.947 1.00 72.23 H new ATOM 0 HH11 ARG A 19 2.455 -2.215 12.327 1.00 5.41 H new ATOM 0 HH12 ARG A 19 0.880 -1.601 12.843 1.00 5.41 H new ATOM 0 HH21 ARG A 19 -0.947 -4.264 11.497 1.00 72.31 H new ATOM 0 HH22 ARG A 19 -1.005 -2.737 12.383 1.00 72.31 H new ATOM 279 N GLY A 20 7.764 -1.255 9.158 1.00 21.40 N ATOM 280 CA GLY A 20 8.920 -0.424 9.459 1.00 31.40 C ATOM 281 C GLY A 20 9.195 0.653 8.416 1.00 41.25 C ATOM 282 O GLY A 20 10.052 1.503 8.660 1.00 41.13 O ATOM 0 H GLY A 20 7.982 -2.085 8.606 1.00 21.40 H new ATOM 0 HA2 GLY A 20 8.770 0.052 10.428 1.00 31.40 H new ATOM 0 HA3 GLY A 20 9.800 -1.061 9.550 1.00 31.40 H new ATOM 286 N GLN A 21 8.522 0.649 7.256 1.00 44.11 N ATOM 287 CA GLN A 21 8.826 1.585 6.183 1.00 53.13 C ATOM 288 C GLN A 21 8.087 2.901 6.390 1.00 70.42 C ATOM 289 O GLN A 21 8.532 3.938 5.911 1.00 74.24 O ATOM 290 CB GLN A 21 8.435 0.964 4.827 1.00 3.12 C ATOM 291 CG GLN A 21 9.560 0.143 4.190 1.00 65.22 C ATOM 292 CD GLN A 21 9.996 0.794 2.887 1.00 61.42 C ATOM 293 OE1 GLN A 21 9.641 0.326 1.809 1.00 63.52 O ATOM 294 NE2 GLN A 21 10.676 1.924 2.991 1.00 30.52 N ATOM 0 H GLN A 21 7.762 0.002 7.044 1.00 44.11 H new ATOM 0 HA GLN A 21 9.896 1.790 6.190 1.00 53.13 H new ATOM 0 HB2 GLN A 21 7.562 0.326 4.966 1.00 3.12 H new ATOM 0 HB3 GLN A 21 8.142 1.760 4.142 1.00 3.12 H new ATOM 0 HG2 GLN A 21 10.406 0.075 4.874 1.00 65.22 H new ATOM 0 HG3 GLN A 21 9.219 -0.875 4.003 1.00 65.22 H new ATOM 0 HE21 GLN A 21 10.949 2.272 3.910 1.00 30.52 H new ATOM 0 HE22 GLN A 21 10.928 2.447 2.152 1.00 30.52 H new ATOM 301 N LEU A 22 6.914 2.870 7.018 1.00 14.22 N ATOM 302 CA LEU A 22 5.979 3.997 6.936 1.00 70.05 C ATOM 303 C LEU A 22 6.322 5.005 8.001 1.00 25.01 C ATOM 304 O LEU A 22 6.284 6.214 7.778 1.00 14.33 O ATOM 305 CB LEU A 22 4.517 3.569 7.105 1.00 31.43 C ATOM 306 CG LEU A 22 4.201 2.125 6.736 1.00 25.12 C ATOM 307 CD1 LEU A 22 4.735 1.737 5.417 1.00 44.31 C ATOM 308 CD2 LEU A 22 4.223 1.167 7.904 1.00 74.21 C ATOM 0 H LEU A 22 6.588 2.087 7.584 1.00 14.22 H new ATOM 0 HA LEU A 22 6.080 4.428 5.940 1.00 70.05 H new ATOM 0 HB2 LEU A 22 4.229 3.730 8.144 1.00 31.43 H new ATOM 0 HB3 LEU A 22 3.894 4.224 6.496 1.00 31.43 H new ATOM 0 HG LEU A 22 3.138 2.033 6.516 1.00 25.12 H new ATOM 0 HD11 LEU A 22 4.477 0.698 5.211 1.00 44.31 H new ATOM 0 HD12 LEU A 22 4.304 2.377 4.647 1.00 44.31 H new ATOM 0 HD13 LEU A 22 5.819 1.849 5.416 1.00 44.31 H new ATOM 0 HD21 LEU A 22 3.988 0.162 7.555 1.00 74.21 H new ATOM 0 HD22 LEU A 22 5.214 1.171 8.359 1.00 74.21 H new ATOM 0 HD23 LEU A 22 3.484 1.477 8.643 1.00 74.21 H new ATOM 319 N GLN A 23 6.699 4.452 9.145 1.00 64.44 N ATOM 320 CA GLN A 23 7.252 5.156 10.270 1.00 5.14 C ATOM 321 C GLN A 23 8.341 6.128 9.838 1.00 63.25 C ATOM 322 O GLN A 23 8.272 7.299 10.213 1.00 61.02 O ATOM 323 CB GLN A 23 7.712 4.110 11.309 1.00 42.14 C ATOM 324 CG GLN A 23 6.712 3.925 12.462 1.00 33.14 C ATOM 325 CD GLN A 23 6.650 5.085 13.461 1.00 10.22 C ATOM 326 OE1 GLN A 23 5.695 5.216 14.218 1.00 31.22 O ATOM 327 NE2 GLN A 23 7.634 5.967 13.519 1.00 63.11 N ATOM 0 H GLN A 23 6.619 3.449 9.312 1.00 64.44 H new ATOM 0 HA GLN A 23 6.500 5.789 10.741 1.00 5.14 H new ATOM 0 HB2 GLN A 23 7.863 3.153 10.810 1.00 42.14 H new ATOM 0 HB3 GLN A 23 8.676 4.412 11.717 1.00 42.14 H new ATOM 0 HG2 GLN A 23 5.718 3.776 12.040 1.00 33.14 H new ATOM 0 HG3 GLN A 23 6.969 3.014 13.002 1.00 33.14 H new ATOM 0 HE21 GLN A 23 8.438 5.876 12.898 1.00 63.11 H new ATOM 0 HE22 GLN A 23 7.589 6.738 14.185 1.00 63.11 H new ATOM 334 N SER A 24 9.253 5.707 8.962 1.00 65.02 N ATOM 335 CA SER A 24 10.297 6.564 8.434 1.00 32.13 C ATOM 336 C SER A 24 9.756 7.860 7.816 1.00 5.11 C ATOM 337 O SER A 24 10.363 8.919 7.981 1.00 45.45 O ATOM 338 CB SER A 24 11.002 5.761 7.362 1.00 4.01 C ATOM 339 OG SER A 24 11.493 4.542 7.877 1.00 3.31 O ATOM 0 H SER A 24 9.282 4.754 8.601 1.00 65.02 H new ATOM 0 HA SER A 24 10.957 6.865 9.247 1.00 32.13 H new ATOM 0 HB2 SER A 24 10.313 5.561 6.542 1.00 4.01 H new ATOM 0 HB3 SER A 24 11.826 6.343 6.951 1.00 4.01 H new ATOM 0 HG SER A 24 11.942 4.043 7.163 1.00 3.31 H new ATOM 344 N HIS A 25 8.610 7.793 7.132 1.00 51.22 N ATOM 345 CA HIS A 25 7.968 8.915 6.449 1.00 1.50 C ATOM 346 C HIS A 25 7.036 9.723 7.357 1.00 53.51 C ATOM 347 O HIS A 25 6.673 10.841 6.991 1.00 2.53 O ATOM 348 CB HIS A 25 7.212 8.393 5.219 1.00 65.15 C ATOM 349 CG HIS A 25 8.140 7.944 4.124 1.00 25.23 C ATOM 350 ND1 HIS A 25 8.748 8.751 3.188 1.00 4.21 N ATOM 351 CD2 HIS A 25 8.541 6.658 3.895 1.00 3.23 C ATOM 352 CE1 HIS A 25 9.498 7.960 2.403 1.00 74.51 C ATOM 353 NE2 HIS A 25 9.392 6.676 2.791 1.00 4.04 N ATOM 0 H HIS A 25 8.086 6.923 7.037 1.00 51.22 H new ATOM 0 HA HIS A 25 8.754 9.604 6.141 1.00 1.50 H new ATOM 0 HB2 HIS A 25 6.573 7.561 5.515 1.00 65.15 H new ATOM 0 HB3 HIS A 25 6.558 9.177 4.838 1.00 65.15 H new ATOM 0 HD2 HIS A 25 8.252 5.787 4.465 1.00 3.23 H new ATOM 0 HE1 HIS A 25 10.101 8.306 1.577 1.00 74.51 H new ATOM 0 HE2 HIS A 25 9.847 5.871 2.360 1.00 4.04 H new ATOM 360 N GLY A 26 6.655 9.179 8.518 1.00 62.42 N ATOM 361 CA GLY A 26 5.771 9.812 9.496 1.00 22.10 C ATOM 362 C GLY A 26 4.384 9.167 9.549 1.00 14.30 C ATOM 363 O GLY A 26 3.549 9.536 10.382 1.00 34.30 O ATOM 0 H GLY A 26 6.966 8.253 8.810 1.00 62.42 H new ATOM 0 HA2 GLY A 26 6.230 9.756 10.483 1.00 22.10 H new ATOM 0 HA3 GLY A 26 5.666 10.869 9.253 1.00 22.10 H new ATOM 367 N VAL A 27 4.119 8.174 8.700 1.00 1.10 N ATOM 368 CA VAL A 27 2.833 7.494 8.627 1.00 33.20 C ATOM 369 C VAL A 27 2.745 6.444 9.747 1.00 45.14 C ATOM 370 O VAL A 27 3.767 6.086 10.343 1.00 73.01 O ATOM 371 CB VAL A 27 2.718 6.778 7.270 1.00 4.53 C ATOM 372 CG1 VAL A 27 1.264 6.516 6.883 1.00 32.44 C ATOM 373 CG2 VAL A 27 3.456 7.431 6.089 1.00 71.24 C ATOM 0 H VAL A 27 4.805 7.817 8.035 1.00 1.10 H new ATOM 0 HA VAL A 27 2.030 8.223 8.738 1.00 33.20 H new ATOM 0 HB VAL A 27 3.238 5.838 7.452 1.00 4.53 H new ATOM 0 HG11 VAL A 27 1.230 6.009 5.919 1.00 32.44 H new ATOM 0 HG12 VAL A 27 0.794 5.888 7.640 1.00 32.44 H new ATOM 0 HG13 VAL A 27 0.729 7.463 6.814 1.00 32.44 H new ATOM 0 HG21 VAL A 27 3.301 6.836 5.189 1.00 71.24 H new ATOM 0 HG22 VAL A 27 3.069 8.437 5.930 1.00 71.24 H new ATOM 0 HG23 VAL A 27 4.522 7.483 6.310 1.00 71.24 H new ATOM 383 N GLN A 28 1.552 5.888 9.974 1.00 33.02 N ATOM 384 CA GLN A 28 1.366 4.647 10.718 1.00 43.42 C ATOM 385 C GLN A 28 1.222 3.425 9.797 1.00 43.41 C ATOM 386 O GLN A 28 1.708 2.364 10.172 1.00 43.13 O ATOM 387 CB GLN A 28 0.203 4.764 11.726 1.00 1.30 C ATOM 388 CG GLN A 28 -1.236 4.905 11.201 1.00 63.43 C ATOM 389 CD GLN A 28 -1.586 6.299 10.688 1.00 3.11 C ATOM 390 OE1 GLN A 28 -1.163 6.689 9.601 1.00 24.13 O ATOM 391 NE2 GLN A 28 -2.413 7.044 11.397 1.00 74.04 N ATOM 0 H GLN A 28 0.679 6.295 9.640 1.00 33.02 H new ATOM 0 HA GLN A 28 2.276 4.481 11.295 1.00 43.42 H new ATOM 0 HB2 GLN A 28 0.234 3.882 12.365 1.00 1.30 H new ATOM 0 HB3 GLN A 28 0.406 5.626 12.362 1.00 1.30 H new ATOM 0 HG2 GLN A 28 -1.388 4.186 10.396 1.00 63.43 H new ATOM 0 HG3 GLN A 28 -1.929 4.640 12.000 1.00 63.43 H new ATOM 0 HE21 GLN A 28 -2.757 6.709 12.297 1.00 74.04 H new ATOM 0 HE22 GLN A 28 -2.708 7.955 11.045 1.00 74.04 H new ATOM 398 N ALA A 29 0.610 3.560 8.605 1.00 32.01 N ATOM 399 CA ALA A 29 -0.221 2.543 7.935 1.00 14.13 C ATOM 400 C ALA A 29 -1.245 1.914 8.888 1.00 43.41 C ATOM 401 O ALA A 29 -0.879 1.328 9.901 1.00 24.22 O ATOM 402 CB ALA A 29 0.615 1.459 7.256 1.00 1.51 C ATOM 0 H ALA A 29 0.685 4.419 8.059 1.00 32.01 H new ATOM 0 HA ALA A 29 -0.768 3.073 7.156 1.00 14.13 H new ATOM 0 HB1 ALA A 29 -0.046 0.736 6.778 1.00 1.51 H new ATOM 0 HB2 ALA A 29 1.259 1.914 6.504 1.00 1.51 H new ATOM 0 HB3 ALA A 29 1.229 0.953 8.001 1.00 1.51 H new ATOM 408 N ARG A 30 -2.541 2.042 8.602 1.00 42.35 N ATOM 409 CA ARG A 30 -3.543 1.464 9.490 1.00 4.40 C ATOM 410 C ARG A 30 -3.515 -0.053 9.377 1.00 24.32 C ATOM 411 O ARG A 30 -3.341 -0.737 10.383 1.00 1.31 O ATOM 412 CB ARG A 30 -4.938 2.022 9.194 1.00 4.44 C ATOM 413 CG ARG A 30 -5.859 1.666 10.367 1.00 73.24 C ATOM 414 CD ARG A 30 -7.266 2.206 10.134 1.00 30.11 C ATOM 415 NE ARG A 30 -8.267 1.488 10.932 1.00 74.24 N ATOM 416 CZ ARG A 30 -8.468 1.514 12.251 1.00 53.31 C ATOM 417 NH1 ARG A 30 -7.795 2.338 13.046 1.00 73.41 N ATOM 418 NH2 ARG A 30 -9.375 0.697 12.770 1.00 50.31 N ATOM 0 H ARG A 30 -2.912 2.527 7.785 1.00 42.35 H new ATOM 0 HA ARG A 30 -3.302 1.741 10.516 1.00 4.40 H new ATOM 0 HB2 ARG A 30 -4.894 3.103 9.061 1.00 4.44 H new ATOM 0 HB3 ARG A 30 -5.326 1.602 8.266 1.00 4.44 H new ATOM 0 HG2 ARG A 30 -5.896 0.584 10.491 1.00 73.24 H new ATOM 0 HG3 ARG A 30 -5.455 2.079 11.291 1.00 73.24 H new ATOM 0 HD2 ARG A 30 -7.294 3.266 10.385 1.00 30.11 H new ATOM 0 HD3 ARG A 30 -7.517 2.122 9.077 1.00 30.11 H new ATOM 0 HE ARG A 30 -8.898 0.884 10.404 1.00 74.24 H new ATOM 0 HH11 ARG A 30 -7.102 2.974 12.652 1.00 73.41 H new ATOM 0 HH12 ARG A 30 -7.971 2.334 14.051 1.00 73.41 H new ATOM 0 HH21 ARG A 30 -9.901 0.067 12.164 1.00 50.31 H new ATOM 0 HH22 ARG A 30 -9.547 0.698 13.775 1.00 50.31 H new ATOM 429 N GLU A 31 -3.690 -0.571 8.163 1.00 21.42 N ATOM 430 CA GLU A 31 -3.830 -1.996 7.914 1.00 11.41 C ATOM 431 C GLU A 31 -2.912 -2.386 6.765 1.00 64.41 C ATOM 432 O GLU A 31 -2.614 -1.578 5.884 1.00 2.11 O ATOM 433 CB GLU A 31 -5.296 -2.325 7.601 1.00 65.01 C ATOM 434 CG GLU A 31 -5.577 -3.829 7.686 1.00 10.21 C ATOM 435 CD GLU A 31 -7.023 -4.149 8.072 1.00 53.20 C ATOM 436 OE1 GLU A 31 -7.351 -4.012 9.270 1.00 53.53 O ATOM 437 OE2 GLU A 31 -7.799 -4.610 7.203 1.00 24.42 O ATOM 0 H GLU A 31 -3.739 -0.003 7.318 1.00 21.42 H new ATOM 0 HA GLU A 31 -3.544 -2.567 8.797 1.00 11.41 H new ATOM 0 HB2 GLU A 31 -5.944 -1.795 8.299 1.00 65.01 H new ATOM 0 HB3 GLU A 31 -5.543 -1.966 6.602 1.00 65.01 H new ATOM 0 HG2 GLU A 31 -5.354 -4.289 6.723 1.00 10.21 H new ATOM 0 HG3 GLU A 31 -4.904 -4.277 8.417 1.00 10.21 H new ATOM 442 N VAL A 32 -2.469 -3.636 6.774 1.00 63.13 N ATOM 443 CA VAL A 32 -1.369 -4.138 5.965 1.00 5.23 C ATOM 444 C VAL A 32 -1.690 -5.581 5.577 1.00 70.01 C ATOM 445 O VAL A 32 -1.330 -6.546 6.255 1.00 43.23 O ATOM 446 CB VAL A 32 -0.017 -4.033 6.712 1.00 42.52 C ATOM 447 CG1 VAL A 32 1.116 -4.379 5.744 1.00 42.51 C ATOM 448 CG2 VAL A 32 0.303 -2.656 7.318 1.00 44.44 C ATOM 0 H VAL A 32 -2.882 -4.355 7.368 1.00 63.13 H new ATOM 0 HA VAL A 32 -1.263 -3.530 5.067 1.00 5.23 H new ATOM 0 HB VAL A 32 -0.104 -4.729 7.547 1.00 42.52 H new ATOM 0 HG11 VAL A 32 2.072 -4.307 6.262 1.00 42.51 H new ATOM 0 HG12 VAL A 32 0.980 -5.395 5.373 1.00 42.51 H new ATOM 0 HG13 VAL A 32 1.104 -3.682 4.906 1.00 42.51 H new ATOM 0 HG21 VAL A 32 1.271 -2.694 7.817 1.00 44.44 H new ATOM 0 HG22 VAL A 32 0.332 -1.908 6.526 1.00 44.44 H new ATOM 0 HG23 VAL A 32 -0.468 -2.389 8.041 1.00 44.44 H new ATOM 458 N ARG A 33 -2.373 -5.738 4.451 1.00 51.20 N ATOM 459 CA ARG A 33 -2.543 -7.022 3.788 1.00 21.14 C ATOM 460 C ARG A 33 -1.241 -7.284 3.044 1.00 41.22 C ATOM 461 O ARG A 33 -1.099 -6.946 1.871 1.00 71.14 O ATOM 462 CB ARG A 33 -3.764 -6.939 2.856 1.00 75.21 C ATOM 463 CG ARG A 33 -5.095 -6.664 3.579 1.00 42.32 C ATOM 464 CD ARG A 33 -6.211 -6.315 2.580 1.00 42.22 C ATOM 465 NE ARG A 33 -7.521 -6.181 3.241 1.00 70.34 N ATOM 466 CZ ARG A 33 -7.924 -5.208 4.070 1.00 72.44 C ATOM 467 NH1 ARG A 33 -7.198 -4.124 4.305 1.00 5.14 N ATOM 468 NH2 ARG A 33 -9.082 -5.341 4.693 1.00 43.52 N ATOM 0 H ARG A 33 -2.830 -4.966 3.967 1.00 51.20 H new ATOM 0 HA ARG A 33 -2.735 -7.845 4.476 1.00 21.14 H new ATOM 0 HB2 ARG A 33 -3.593 -6.152 2.122 1.00 75.21 H new ATOM 0 HB3 ARG A 33 -3.850 -7.875 2.305 1.00 75.21 H new ATOM 0 HG2 ARG A 33 -5.384 -7.540 4.159 1.00 42.32 H new ATOM 0 HG3 ARG A 33 -4.965 -5.843 4.284 1.00 42.32 H new ATOM 0 HD2 ARG A 33 -5.964 -5.383 2.072 1.00 42.22 H new ATOM 0 HD3 ARG A 33 -6.268 -7.090 1.815 1.00 42.22 H new ATOM 0 HE ARG A 33 -8.201 -6.915 3.045 1.00 70.34 H new ATOM 0 HH11 ARG A 33 -6.294 -4.006 3.847 1.00 5.14 H new ATOM 0 HH12 ARG A 33 -7.543 -3.408 4.944 1.00 5.14 H new ATOM 0 HH21 ARG A 33 -9.651 -6.173 4.539 1.00 43.52 H new ATOM 0 HH22 ARG A 33 -9.406 -4.612 5.328 1.00 43.52 H new ATOM 479 N LEU A 34 -0.278 -7.822 3.787 1.00 12.21 N ATOM 480 CA LEU A 34 1.025 -8.321 3.395 1.00 42.10 C ATOM 481 C LEU A 34 0.909 -9.535 2.466 1.00 15.52 C ATOM 482 O LEU A 34 -0.055 -9.646 1.718 1.00 71.12 O ATOM 483 CB LEU A 34 1.808 -8.534 4.691 1.00 44.12 C ATOM 484 CG LEU A 34 1.541 -9.794 5.537 1.00 11.44 C ATOM 485 CD1 LEU A 34 0.208 -10.536 5.370 1.00 35.05 C ATOM 486 CD2 LEU A 34 2.739 -10.756 5.555 1.00 40.34 C ATOM 0 H LEU A 34 -0.414 -7.928 4.792 1.00 12.21 H new ATOM 0 HA LEU A 34 1.582 -7.615 2.779 1.00 42.10 H new ATOM 0 HB2 LEU A 34 2.868 -8.529 4.437 1.00 44.12 H new ATOM 0 HB3 LEU A 34 1.628 -7.668 5.328 1.00 44.12 H new ATOM 0 HG LEU A 34 1.412 -9.348 6.523 1.00 11.44 H new ATOM 0 HD11 LEU A 34 0.185 -11.397 6.038 1.00 35.05 H new ATOM 0 HD12 LEU A 34 -0.615 -9.865 5.614 1.00 35.05 H new ATOM 0 HD13 LEU A 34 0.107 -10.874 4.339 1.00 35.05 H new ATOM 0 HD21 LEU A 34 2.498 -11.626 6.165 1.00 40.34 H new ATOM 0 HD22 LEU A 34 2.963 -11.077 4.538 1.00 40.34 H new ATOM 0 HD23 LEU A 34 3.607 -10.248 5.975 1.00 40.34 H new ATOM 497 N MET A 35 1.901 -10.421 2.430 1.00 40.21 N ATOM 498 CA MET A 35 1.816 -11.746 1.822 1.00 1.14 C ATOM 499 C MET A 35 1.455 -12.897 2.774 1.00 23.31 C ATOM 500 O MET A 35 0.372 -13.460 2.683 1.00 2.11 O ATOM 501 CB MET A 35 2.994 -12.011 0.877 1.00 62.21 C ATOM 502 CG MET A 35 4.270 -11.195 1.076 1.00 31.14 C ATOM 503 SD MET A 35 5.647 -11.856 0.115 1.00 63.31 S ATOM 504 CE MET A 35 5.007 -11.718 -1.577 1.00 31.54 C ATOM 0 H MET A 35 2.817 -10.230 2.837 1.00 40.21 H new ATOM 0 HA MET A 35 0.927 -11.724 1.192 1.00 1.14 H new ATOM 0 HB2 MET A 35 3.256 -13.066 0.958 1.00 62.21 H new ATOM 0 HB3 MET A 35 2.648 -11.846 -0.143 1.00 62.21 H new ATOM 0 HG2 MET A 35 4.088 -10.160 0.786 1.00 31.14 H new ATOM 0 HG3 MET A 35 4.535 -11.188 2.133 1.00 31.14 H new ATOM 0 HE1 MET A 35 5.829 -11.815 -2.286 1.00 31.54 H new ATOM 0 HE2 MET A 35 4.278 -12.509 -1.756 1.00 31.54 H new ATOM 0 HE3 MET A 35 4.528 -10.747 -1.707 1.00 31.54 H new ATOM 512 N ARG A 36 2.338 -13.298 3.675 1.00 52.31 N ATOM 513 CA ARG A 36 2.210 -14.508 4.484 1.00 13.12 C ATOM 514 C ARG A 36 1.095 -14.392 5.474 1.00 55.51 C ATOM 515 O ARG A 36 1.165 -13.746 6.518 1.00 35.33 O ATOM 516 CB ARG A 36 3.480 -14.893 5.224 1.00 63.01 C ATOM 517 CG ARG A 36 4.360 -15.648 4.238 1.00 24.14 C ATOM 518 CD ARG A 36 4.120 -17.153 4.287 1.00 41.52 C ATOM 519 NE ARG A 36 4.799 -17.758 5.436 1.00 20.23 N ATOM 520 CZ ARG A 36 4.633 -18.988 5.920 1.00 3.52 C ATOM 521 NH1 ARG A 36 3.812 -19.859 5.345 1.00 35.22 N ATOM 522 NH2 ARG A 36 5.336 -19.337 6.985 1.00 51.14 N ATOM 0 H ARG A 36 3.192 -12.776 3.872 1.00 52.31 H new ATOM 0 HA ARG A 36 1.995 -15.297 3.764 1.00 13.12 H new ATOM 0 HB2 ARG A 36 3.992 -14.006 5.597 1.00 63.01 H new ATOM 0 HB3 ARG A 36 3.249 -15.515 6.089 1.00 63.01 H new ATOM 0 HG2 ARG A 36 4.167 -15.284 3.229 1.00 24.14 H new ATOM 0 HG3 ARG A 36 5.408 -15.442 4.457 1.00 24.14 H new ATOM 0 HD2 ARG A 36 3.050 -17.352 4.347 1.00 41.52 H new ATOM 0 HD3 ARG A 36 4.479 -17.612 3.366 1.00 41.52 H new ATOM 0 HE ARG A 36 5.477 -17.170 5.921 1.00 20.23 H new ATOM 0 HH11 ARG A 36 3.289 -19.593 4.511 1.00 35.22 H new ATOM 0 HH12 ARG A 36 3.705 -20.794 5.737 1.00 35.22 H new ATOM 0 HH21 ARG A 36 5.981 -18.672 7.410 1.00 51.14 H new ATOM 0 HH22 ARG A 36 5.232 -20.271 7.381 1.00 51.14 H new ATOM 533 N ASN A 37 0.051 -15.090 5.114 1.00 61.11 N ATOM 534 CA ASN A 37 -1.152 -15.216 5.887 1.00 55.20 C ATOM 535 C ASN A 37 -1.863 -16.456 5.401 1.00 40.14 C ATOM 536 O ASN A 37 -1.735 -16.826 4.240 1.00 52.54 O ATOM 537 CB ASN A 37 -2.037 -13.992 5.638 1.00 4.54 C ATOM 538 CG ASN A 37 -2.596 -13.449 6.933 1.00 23.41 C ATOM 539 OD1 ASN A 37 -2.293 -12.336 7.327 1.00 35.23 O ATOM 540 ND2 ASN A 37 -3.424 -14.218 7.615 1.00 64.41 N ATOM 0 H ASN A 37 0.016 -15.608 4.236 1.00 61.11 H new ATOM 0 HA ASN A 37 -0.932 -15.285 6.952 1.00 55.20 H new ATOM 0 HB2 ASN A 37 -1.458 -13.217 5.136 1.00 4.54 H new ATOM 0 HB3 ASN A 37 -2.855 -14.261 4.970 1.00 4.54 H new ATOM 0 HD21 ASN A 37 -3.825 -13.884 8.492 1.00 64.41 H new ATOM 0 HD22 ASN A 37 -3.663 -15.146 7.265 1.00 64.41 H new ATOM 546 N LYS A 38 -2.711 -17.030 6.246 1.00 14.14 N ATOM 547 CA LYS A 38 -3.682 -18.029 5.806 1.00 31.12 C ATOM 548 C LYS A 38 -5.081 -17.749 6.328 1.00 63.33 C ATOM 549 O LYS A 38 -6.043 -18.099 5.651 1.00 62.23 O ATOM 550 CB LYS A 38 -3.216 -19.465 6.095 1.00 44.52 C ATOM 551 CG LYS A 38 -2.502 -19.776 7.417 1.00 40.23 C ATOM 552 CD LYS A 38 -1.082 -19.201 7.549 1.00 60.22 C ATOM 553 CE LYS A 38 -0.147 -20.117 8.339 1.00 73.14 C ATOM 554 NZ LYS A 38 -0.680 -20.511 9.658 1.00 20.13 N ATOM 0 H LYS A 38 -2.747 -16.821 7.244 1.00 14.14 H new ATOM 0 HA LYS A 38 -3.743 -17.943 4.721 1.00 31.12 H new ATOM 0 HB2 LYS A 38 -4.092 -20.111 6.037 1.00 44.52 H new ATOM 0 HB3 LYS A 38 -2.548 -19.761 5.286 1.00 44.52 H new ATOM 0 HG2 LYS A 38 -3.109 -19.393 8.237 1.00 40.23 H new ATOM 0 HG3 LYS A 38 -2.450 -20.858 7.537 1.00 40.23 H new ATOM 0 HD2 LYS A 38 -0.667 -19.035 6.555 1.00 60.22 H new ATOM 0 HD3 LYS A 38 -1.132 -18.229 8.040 1.00 60.22 H new ATOM 0 HE2 LYS A 38 0.049 -21.015 7.753 1.00 73.14 H new ATOM 0 HE3 LYS A 38 0.809 -19.613 8.479 1.00 73.14 H new ATOM 0 HZ1 LYS A 38 0.032 -21.074 10.166 1.00 20.13 H new ATOM 0 HZ2 LYS A 38 -0.905 -19.659 10.210 1.00 20.13 H new ATOM 0 HZ3 LYS A 38 -1.542 -21.078 9.529 1.00 20.13 H new ATOM 564 N SER A 39 -5.195 -17.043 7.453 1.00 34.21 N ATOM 565 CA SER A 39 -6.492 -16.664 8.001 1.00 60.10 C ATOM 566 C SER A 39 -7.176 -15.624 7.099 1.00 62.30 C ATOM 567 O SER A 39 -8.396 -15.630 6.948 1.00 53.42 O ATOM 568 CB SER A 39 -6.247 -16.158 9.427 1.00 53.40 C ATOM 569 OG SER A 39 -7.403 -16.202 10.230 1.00 53.11 O ATOM 0 H SER A 39 -4.398 -16.722 8.003 1.00 34.21 H new ATOM 0 HA SER A 39 -7.177 -17.511 8.038 1.00 60.10 H new ATOM 0 HB2 SER A 39 -5.465 -16.759 9.891 1.00 53.40 H new ATOM 0 HB3 SER A 39 -5.878 -15.133 9.385 1.00 53.40 H new ATOM 0 HG SER A 39 -7.191 -15.871 11.128 1.00 53.11 H new ATOM 574 N SER A 40 -6.391 -14.743 6.470 1.00 11.14 N ATOM 575 CA SER A 40 -6.875 -13.493 5.895 1.00 23.42 C ATOM 576 C SER A 40 -6.925 -13.483 4.362 1.00 71.24 C ATOM 577 O SER A 40 -7.759 -12.778 3.794 1.00 20.34 O ATOM 578 CB SER A 40 -5.954 -12.394 6.418 1.00 11.24 C ATOM 579 OG SER A 40 -5.802 -12.505 7.826 1.00 71.30 O ATOM 0 H SER A 40 -5.388 -14.884 6.347 1.00 11.14 H new ATOM 0 HA SER A 40 -7.912 -13.343 6.197 1.00 23.42 H new ATOM 0 HB2 SER A 40 -4.980 -12.466 5.934 1.00 11.24 H new ATOM 0 HB3 SER A 40 -6.364 -11.416 6.166 1.00 11.24 H new ATOM 0 HG SER A 40 -5.208 -11.795 8.148 1.00 71.30 H new ATOM 584 N GLY A 41 -6.055 -14.246 3.687 1.00 34.32 N ATOM 585 CA GLY A 41 -6.160 -14.528 2.255 1.00 23.44 C ATOM 586 C GLY A 41 -5.077 -13.843 1.430 1.00 74.32 C ATOM 587 O GLY A 41 -5.184 -13.778 0.208 1.00 1.45 O ATOM 0 H GLY A 41 -5.249 -14.689 4.129 1.00 34.32 H new ATOM 0 HA2 GLY A 41 -6.102 -15.605 2.098 1.00 23.44 H new ATOM 0 HA3 GLY A 41 -7.138 -14.206 1.898 1.00 23.44 H new ATOM 591 N GLN A 42 -4.060 -13.294 2.091 1.00 3.54 N ATOM 592 CA GLN A 42 -3.028 -12.501 1.433 1.00 1.24 C ATOM 593 C GLN A 42 -2.067 -13.393 0.611 1.00 13.45 C ATOM 594 O GLN A 42 -2.247 -14.612 0.552 1.00 44.54 O ATOM 595 CB GLN A 42 -2.372 -11.543 2.467 1.00 35.42 C ATOM 596 CG GLN A 42 -3.272 -11.065 3.623 1.00 72.41 C ATOM 597 CD GLN A 42 -4.603 -10.439 3.176 1.00 23.25 C ATOM 598 OE1 GLN A 42 -4.878 -10.214 2.003 1.00 40.41 O ATOM 599 NE2 GLN A 42 -5.471 -10.160 4.122 1.00 21.35 N ATOM 0 H GLN A 42 -3.930 -13.387 3.098 1.00 3.54 H new ATOM 0 HA GLN A 42 -3.462 -11.848 0.675 1.00 1.24 H new ATOM 0 HB2 GLN A 42 -1.504 -12.044 2.895 1.00 35.42 H new ATOM 0 HB3 GLN A 42 -2.004 -10.666 1.935 1.00 35.42 H new ATOM 0 HG2 GLN A 42 -3.484 -11.912 4.276 1.00 72.41 H new ATOM 0 HG3 GLN A 42 -2.722 -10.335 4.217 1.00 72.41 H new ATOM 0 HE21 GLN A 42 -5.240 -10.348 5.098 1.00 21.35 H new ATOM 0 HE22 GLN A 42 -6.376 -9.755 3.881 1.00 21.35 H new ATOM 606 N SER A 43 -1.012 -12.794 0.047 1.00 3.44 N ATOM 607 CA SER A 43 -0.025 -13.338 -0.893 1.00 22.03 C ATOM 608 C SER A 43 -0.542 -13.437 -2.334 1.00 14.03 C ATOM 609 O SER A 43 -1.199 -14.392 -2.735 1.00 35.55 O ATOM 610 CB SER A 43 0.537 -14.677 -0.365 1.00 63.04 C ATOM 611 OG SER A 43 1.940 -14.782 -0.530 1.00 42.40 O ATOM 0 H SER A 43 -0.808 -11.817 0.259 1.00 3.44 H new ATOM 0 HA SER A 43 0.797 -12.625 -0.948 1.00 22.03 H new ATOM 0 HB2 SER A 43 0.291 -14.779 0.692 1.00 63.04 H new ATOM 0 HB3 SER A 43 0.051 -15.502 -0.886 1.00 63.04 H new ATOM 0 HG SER A 43 2.247 -15.644 -0.180 1.00 42.40 H new ATOM 616 N ARG A 44 -0.198 -12.413 -3.131 1.00 22.43 N ATOM 617 CA ARG A 44 -0.403 -12.331 -4.577 1.00 14.14 C ATOM 618 C ARG A 44 0.789 -11.746 -5.357 1.00 22.15 C ATOM 619 O ARG A 44 0.729 -11.714 -6.582 1.00 15.25 O ATOM 620 CB ARG A 44 -1.705 -11.549 -4.872 1.00 20.32 C ATOM 621 CG ARG A 44 -2.922 -12.474 -5.020 1.00 43.00 C ATOM 622 CD ARG A 44 -3.842 -12.602 -3.802 1.00 23.45 C ATOM 623 NE ARG A 44 -4.935 -13.540 -4.115 1.00 51.33 N ATOM 624 CZ ARG A 44 -6.121 -13.645 -3.504 1.00 51.33 C ATOM 625 NH1 ARG A 44 -6.400 -12.916 -2.430 1.00 35.45 N ATOM 626 NH2 ARG A 44 -7.048 -14.465 -3.988 1.00 12.54 N ATOM 0 H ARG A 44 0.254 -11.578 -2.759 1.00 22.43 H new ATOM 0 HA ARG A 44 -0.493 -13.356 -4.937 1.00 14.14 H new ATOM 0 HB2 ARG A 44 -1.889 -10.837 -4.067 1.00 20.32 H new ATOM 0 HB3 ARG A 44 -1.579 -10.970 -5.787 1.00 20.32 H new ATOM 0 HG2 ARG A 44 -3.518 -12.120 -5.861 1.00 43.00 H new ATOM 0 HG3 ARG A 44 -2.563 -13.469 -5.281 1.00 43.00 H new ATOM 0 HD2 ARG A 44 -3.277 -12.958 -2.941 1.00 23.45 H new ATOM 0 HD3 ARG A 44 -4.249 -11.627 -3.535 1.00 23.45 H new ATOM 0 HE ARG A 44 -4.768 -14.185 -4.888 1.00 51.33 H new ATOM 0 HH11 ARG A 44 -5.706 -12.266 -2.061 1.00 35.45 H new ATOM 0 HH12 ARG A 44 -7.308 -13.006 -1.974 1.00 35.45 H new ATOM 0 HH21 ARG A 44 -6.856 -15.015 -4.825 1.00 12.54 H new ATOM 0 HH22 ARG A 44 -7.952 -14.545 -3.522 1.00 12.54 H new ATOM 637 N GLY A 45 1.869 -11.290 -4.709 1.00 40.01 N ATOM 638 CA GLY A 45 2.945 -10.554 -5.368 1.00 23.53 C ATOM 639 C GLY A 45 2.713 -9.047 -5.303 1.00 75.22 C ATOM 640 O GLY A 45 3.429 -8.259 -5.929 1.00 1.04 O ATOM 0 H GLY A 45 2.017 -11.424 -3.709 1.00 40.01 H new ATOM 0 HA2 GLY A 45 3.896 -10.797 -4.895 1.00 23.53 H new ATOM 0 HA3 GLY A 45 3.017 -10.868 -6.409 1.00 23.53 H new ATOM 644 N PHE A 46 1.732 -8.623 -4.510 1.00 52.42 N ATOM 645 CA PHE A 46 1.608 -7.261 -4.046 1.00 20.55 C ATOM 646 C PHE A 46 0.984 -7.260 -2.660 1.00 31.11 C ATOM 647 O PHE A 46 0.221 -8.163 -2.301 1.00 53.33 O ATOM 648 CB PHE A 46 0.764 -6.436 -5.039 1.00 12.05 C ATOM 649 CG PHE A 46 -0.486 -7.123 -5.562 1.00 72.22 C ATOM 650 CD1 PHE A 46 -1.641 -7.223 -4.762 1.00 61.14 C ATOM 651 CD2 PHE A 46 -0.479 -7.693 -6.851 1.00 15.21 C ATOM 652 CE1 PHE A 46 -2.772 -7.908 -5.241 1.00 33.21 C ATOM 653 CE2 PHE A 46 -1.616 -8.359 -7.335 1.00 35.53 C ATOM 654 CZ PHE A 46 -2.759 -8.473 -6.528 1.00 13.42 C ATOM 0 H PHE A 46 0.991 -9.236 -4.170 1.00 52.42 H new ATOM 0 HA PHE A 46 2.594 -6.800 -3.986 1.00 20.55 H new ATOM 0 HB2 PHE A 46 0.470 -5.505 -4.554 1.00 12.05 H new ATOM 0 HB3 PHE A 46 1.393 -6.168 -5.888 1.00 12.05 H new ATOM 0 HD1 PHE A 46 -1.658 -6.773 -3.780 1.00 61.14 H new ATOM 0 HD2 PHE A 46 0.404 -7.617 -7.468 1.00 15.21 H new ATOM 0 HE1 PHE A 46 -3.651 -8.000 -4.620 1.00 33.21 H new ATOM 0 HE2 PHE A 46 -1.611 -8.784 -8.328 1.00 35.53 H new ATOM 0 HZ PHE A 46 -3.629 -8.995 -6.896 1.00 13.42 H new ATOM 663 N ALA A 47 1.306 -6.237 -1.883 1.00 61.22 N ATOM 664 CA ALA A 47 0.637 -5.936 -0.633 1.00 22.12 C ATOM 665 C ALA A 47 -0.455 -4.908 -0.927 1.00 33.14 C ATOM 666 O ALA A 47 -0.428 -4.241 -1.967 1.00 13.32 O ATOM 667 CB ALA A 47 1.657 -5.402 0.363 1.00 14.21 C ATOM 0 H ALA A 47 2.054 -5.582 -2.111 1.00 61.22 H new ATOM 0 HA ALA A 47 0.182 -6.825 -0.196 1.00 22.12 H new ATOM 0 HB1 ALA A 47 1.160 -5.174 1.306 1.00 14.21 H new ATOM 0 HB2 ALA A 47 2.428 -6.153 0.532 1.00 14.21 H new ATOM 0 HB3 ALA A 47 2.114 -4.496 -0.035 1.00 14.21 H new ATOM 673 N PHE A 48 -1.385 -4.759 0.008 1.00 13.51 N ATOM 674 CA PHE A 48 -2.359 -3.683 0.069 1.00 1.45 C ATOM 675 C PHE A 48 -2.161 -3.041 1.432 1.00 14.33 C ATOM 676 O PHE A 48 -2.345 -3.709 2.453 1.00 74.14 O ATOM 677 CB PHE A 48 -3.794 -4.227 -0.051 1.00 3.14 C ATOM 678 CG PHE A 48 -4.413 -4.166 -1.425 1.00 24.45 C ATOM 679 CD1 PHE A 48 -3.968 -5.032 -2.436 1.00 11.33 C ATOM 680 CD2 PHE A 48 -5.485 -3.292 -1.673 1.00 21.13 C ATOM 681 CE1 PHE A 48 -4.587 -5.006 -3.694 1.00 51.12 C ATOM 682 CE2 PHE A 48 -6.078 -3.238 -2.943 1.00 62.41 C ATOM 683 CZ PHE A 48 -5.626 -4.094 -3.956 1.00 52.12 C ATOM 0 H PHE A 48 -1.483 -5.418 0.780 1.00 13.51 H new ATOM 0 HA PHE A 48 -2.221 -2.976 -0.749 1.00 1.45 H new ATOM 0 HB2 PHE A 48 -3.796 -5.265 0.281 1.00 3.14 H new ATOM 0 HB3 PHE A 48 -4.431 -3.671 0.637 1.00 3.14 H new ATOM 0 HD1 PHE A 48 -3.153 -5.715 -2.246 1.00 11.33 H new ATOM 0 HD2 PHE A 48 -5.855 -2.658 -0.881 1.00 21.13 H new ATOM 0 HE1 PHE A 48 -4.265 -5.689 -4.466 1.00 51.12 H new ATOM 0 HE2 PHE A 48 -6.879 -2.540 -3.139 1.00 62.41 H new ATOM 0 HZ PHE A 48 -6.075 -4.054 -4.937 1.00 52.12 H new ATOM 692 N VAL A 49 -1.829 -1.758 1.478 1.00 70.22 N ATOM 693 CA VAL A 49 -1.719 -1.016 2.725 1.00 71.34 C ATOM 694 C VAL A 49 -2.862 -0.011 2.761 1.00 44.13 C ATOM 695 O VAL A 49 -2.972 0.780 1.827 1.00 33.13 O ATOM 696 CB VAL A 49 -0.305 -0.430 2.848 1.00 61.34 C ATOM 697 CG1 VAL A 49 0.132 0.602 1.854 1.00 21.42 C ATOM 698 CG2 VAL A 49 -0.034 0.094 4.256 1.00 43.55 C ATOM 0 H VAL A 49 -1.628 -1.201 0.648 1.00 70.22 H new ATOM 0 HA VAL A 49 -1.830 -1.641 3.611 1.00 71.34 H new ATOM 0 HB VAL A 49 0.301 -1.303 2.608 1.00 61.34 H new ATOM 0 HG11 VAL A 49 1.152 0.914 2.078 1.00 21.42 H new ATOM 0 HG12 VAL A 49 0.094 0.179 0.850 1.00 21.42 H new ATOM 0 HG13 VAL A 49 -0.531 1.465 1.910 1.00 21.42 H new ATOM 0 HG21 VAL A 49 0.976 0.501 4.305 1.00 43.55 H new ATOM 0 HG22 VAL A 49 -0.753 0.877 4.497 1.00 43.55 H new ATOM 0 HG23 VAL A 49 -0.132 -0.721 4.973 1.00 43.55 H new ATOM 708 N GLU A 50 -3.749 -0.076 3.761 1.00 65.40 N ATOM 709 CA GLU A 50 -4.774 0.929 3.956 1.00 1.34 C ATOM 710 C GLU A 50 -4.228 1.958 4.944 1.00 74.41 C ATOM 711 O GLU A 50 -3.747 1.608 6.024 1.00 50.35 O ATOM 712 CB GLU A 50 -6.115 0.336 4.444 1.00 42.21 C ATOM 713 CG GLU A 50 -7.219 1.141 3.744 1.00 62.20 C ATOM 714 CD GLU A 50 -8.577 1.209 4.444 1.00 64.24 C ATOM 715 OE1 GLU A 50 -9.357 0.235 4.388 1.00 22.22 O ATOM 716 OE2 GLU A 50 -8.947 2.288 4.965 1.00 53.23 O ATOM 0 H GLU A 50 -3.768 -0.828 4.450 1.00 65.40 H new ATOM 0 HA GLU A 50 -5.002 1.396 2.998 1.00 1.34 H new ATOM 0 HB2 GLU A 50 -6.187 -0.722 4.194 1.00 42.21 H new ATOM 0 HB3 GLU A 50 -6.204 0.414 5.528 1.00 42.21 H new ATOM 0 HG2 GLU A 50 -6.858 2.160 3.604 1.00 62.20 H new ATOM 0 HG3 GLU A 50 -7.370 0.717 2.751 1.00 62.20 H new ATOM 721 N PHE A 51 -4.284 3.225 4.558 1.00 25.23 N ATOM 722 CA PHE A 51 -3.795 4.361 5.311 1.00 12.21 C ATOM 723 C PHE A 51 -4.956 5.017 6.063 1.00 42.54 C ATOM 724 O PHE A 51 -6.075 5.100 5.553 1.00 25.43 O ATOM 725 CB PHE A 51 -3.135 5.357 4.337 1.00 13.14 C ATOM 726 CG PHE A 51 -1.666 5.115 4.036 1.00 2.21 C ATOM 727 CD1 PHE A 51 -1.159 3.833 3.738 1.00 12.22 C ATOM 728 CD2 PHE A 51 -0.785 6.209 4.072 1.00 62.02 C ATOM 729 CE1 PHE A 51 0.222 3.651 3.534 1.00 64.15 C ATOM 730 CE2 PHE A 51 0.591 6.026 3.853 1.00 64.12 C ATOM 731 CZ PHE A 51 1.098 4.740 3.608 1.00 71.41 C ATOM 0 H PHE A 51 -4.694 3.497 3.664 1.00 25.23 H new ATOM 0 HA PHE A 51 -3.055 4.039 6.043 1.00 12.21 H new ATOM 0 HB2 PHE A 51 -3.687 5.336 3.397 1.00 13.14 H new ATOM 0 HB3 PHE A 51 -3.241 6.361 4.747 1.00 13.14 H new ATOM 0 HD1 PHE A 51 -1.831 2.990 3.666 1.00 12.22 H new ATOM 0 HD2 PHE A 51 -1.169 7.199 4.270 1.00 62.02 H new ATOM 0 HE1 PHE A 51 0.608 2.665 3.319 1.00 64.15 H new ATOM 0 HE2 PHE A 51 1.259 6.875 3.873 1.00 64.12 H new ATOM 0 HZ PHE A 51 2.160 4.592 3.477 1.00 71.41 H new ATOM 740 N SER A 52 -4.692 5.559 7.248 1.00 52.42 N ATOM 741 CA SER A 52 -5.666 6.308 8.041 1.00 62.34 C ATOM 742 C SER A 52 -6.035 7.670 7.439 1.00 70.04 C ATOM 743 O SER A 52 -7.041 8.251 7.853 1.00 72.24 O ATOM 744 CB SER A 52 -5.083 6.509 9.440 1.00 11.41 C ATOM 745 OG SER A 52 -5.248 5.332 10.194 1.00 24.44 O ATOM 0 H SER A 52 -3.777 5.489 7.694 1.00 52.42 H new ATOM 0 HA SER A 52 -6.589 5.728 8.063 1.00 62.34 H new ATOM 0 HB2 SER A 52 -4.025 6.763 9.371 1.00 11.41 H new ATOM 0 HB3 SER A 52 -5.580 7.343 9.936 1.00 11.41 H new ATOM 0 HG SER A 52 -4.872 5.462 11.090 1.00 24.44 H new ATOM 750 N HIS A 53 -5.245 8.179 6.487 1.00 23.24 N ATOM 751 CA HIS A 53 -5.355 9.529 5.957 1.00 3.50 C ATOM 752 C HIS A 53 -5.089 9.452 4.457 1.00 70.03 C ATOM 753 O HIS A 53 -4.058 8.913 4.048 1.00 33.44 O ATOM 754 CB HIS A 53 -4.340 10.450 6.664 1.00 43.21 C ATOM 755 CG HIS A 53 -4.347 10.316 8.169 1.00 4.21 C ATOM 756 ND1 HIS A 53 -5.360 10.709 9.015 1.00 43.41 N ATOM 757 CD2 HIS A 53 -3.427 9.628 8.917 1.00 70.25 C ATOM 758 CE1 HIS A 53 -5.070 10.236 10.238 1.00 73.44 C ATOM 759 NE2 HIS A 53 -3.888 9.594 10.237 1.00 25.12 N ATOM 0 H HIS A 53 -4.492 7.642 6.056 1.00 23.24 H new ATOM 0 HA HIS A 53 -6.347 9.946 6.132 1.00 3.50 H new ATOM 0 HB2 HIS A 53 -3.340 10.227 6.292 1.00 43.21 H new ATOM 0 HB3 HIS A 53 -4.555 11.485 6.399 1.00 43.21 H new ATOM 0 HD1 HIS A 53 -6.180 11.259 8.760 1.00 43.41 H new ATOM 0 HD2 HIS A 53 -2.510 9.190 8.552 1.00 70.25 H new ATOM 0 HE1 HIS A 53 -5.701 10.355 11.106 1.00 73.44 H new ATOM 766 N LEU A 54 -5.990 9.999 3.632 1.00 63.11 N ATOM 767 CA LEU A 54 -5.791 10.087 2.181 1.00 52.51 C ATOM 768 C LEU A 54 -4.523 10.907 1.898 1.00 43.15 C ATOM 769 O LEU A 54 -3.719 10.574 1.028 1.00 52.15 O ATOM 770 CB LEU A 54 -7.006 10.740 1.474 1.00 12.34 C ATOM 771 CG LEU A 54 -8.402 10.130 1.733 1.00 42.53 C ATOM 772 CD1 LEU A 54 -9.506 11.173 1.522 1.00 44.33 C ATOM 773 CD2 LEU A 54 -8.700 8.953 0.805 1.00 23.11 C ATOM 0 H LEU A 54 -6.875 10.392 3.951 1.00 63.11 H new ATOM 0 HA LEU A 54 -5.685 9.076 1.787 1.00 52.51 H new ATOM 0 HB2 LEU A 54 -7.039 11.790 1.766 1.00 12.34 H new ATOM 0 HB3 LEU A 54 -6.823 10.714 0.400 1.00 12.34 H new ATOM 0 HG LEU A 54 -8.389 9.785 2.767 1.00 42.53 H new ATOM 0 HD11 LEU A 54 -10.478 10.717 1.711 1.00 44.33 H new ATOM 0 HD12 LEU A 54 -9.356 12.006 2.209 1.00 44.33 H new ATOM 0 HD13 LEU A 54 -9.470 11.539 0.496 1.00 44.33 H new ATOM 0 HD21 LEU A 54 -9.692 8.558 1.025 1.00 23.11 H new ATOM 0 HD22 LEU A 54 -8.665 9.289 -0.231 1.00 23.11 H new ATOM 0 HD23 LEU A 54 -7.956 8.171 0.958 1.00 23.11 H new ATOM 784 N GLN A 55 -4.341 11.973 2.678 1.00 33.12 N ATOM 785 CA GLN A 55 -3.226 12.904 2.643 1.00 41.12 C ATOM 786 C GLN A 55 -1.882 12.196 2.834 1.00 64.15 C ATOM 787 O GLN A 55 -0.900 12.531 2.161 1.00 33.23 O ATOM 788 CB GLN A 55 -3.495 13.946 3.742 1.00 44.24 C ATOM 789 CG GLN A 55 -2.364 14.955 3.972 1.00 10.13 C ATOM 790 CD GLN A 55 -1.575 14.612 5.234 1.00 71.25 C ATOM 791 OE1 GLN A 55 -1.948 15.022 6.327 1.00 31.14 O ATOM 792 NE2 GLN A 55 -0.522 13.822 5.136 1.00 23.13 N ATOM 0 H GLN A 55 -5.019 12.221 3.399 1.00 33.12 H new ATOM 0 HA GLN A 55 -3.153 13.385 1.668 1.00 41.12 H new ATOM 0 HB2 GLN A 55 -4.403 14.493 3.488 1.00 44.24 H new ATOM 0 HB3 GLN A 55 -3.690 13.422 4.678 1.00 44.24 H new ATOM 0 HG2 GLN A 55 -1.696 14.961 3.111 1.00 10.13 H new ATOM 0 HG3 GLN A 55 -2.779 15.959 4.060 1.00 10.13 H new ATOM 0 HE21 GLN A 55 -0.220 13.486 4.222 1.00 23.13 H new ATOM 0 HE22 GLN A 55 -0.011 13.547 5.975 1.00 23.13 H new ATOM 799 N ASP A 56 -1.795 11.259 3.778 1.00 64.23 N ATOM 800 CA ASP A 56 -0.540 10.568 4.083 1.00 70.45 C ATOM 801 C ASP A 56 -0.177 9.611 2.958 1.00 74.34 C ATOM 802 O ASP A 56 1.000 9.316 2.755 1.00 14.22 O ATOM 803 CB ASP A 56 -0.630 9.755 5.378 1.00 64.03 C ATOM 804 CG ASP A 56 -0.314 10.556 6.635 1.00 33.10 C ATOM 805 OD1 ASP A 56 -0.950 11.609 6.848 1.00 63.04 O ATOM 806 OD2 ASP A 56 0.557 10.115 7.418 1.00 73.43 O ATOM 0 H ASP A 56 -2.585 10.959 4.349 1.00 64.23 H new ATOM 0 HA ASP A 56 0.220 11.341 4.198 1.00 70.45 H new ATOM 0 HB2 ASP A 56 -1.634 9.341 5.466 1.00 64.03 H new ATOM 0 HB3 ASP A 56 0.058 8.912 5.314 1.00 64.03 H new ATOM 810 N ALA A 57 -1.174 9.133 2.209 1.00 22.43 N ATOM 811 CA ALA A 57 -0.961 8.116 1.200 1.00 14.41 C ATOM 812 C ALA A 57 -0.068 8.711 0.115 1.00 24.02 C ATOM 813 O ALA A 57 0.887 8.074 -0.323 1.00 13.31 O ATOM 814 CB ALA A 57 -2.304 7.614 0.684 1.00 21.41 C ATOM 0 H ALA A 57 -2.142 9.444 2.291 1.00 22.43 H new ATOM 0 HA ALA A 57 -0.452 7.241 1.605 1.00 14.41 H new ATOM 0 HB1 ALA A 57 -2.139 6.849 -0.075 1.00 21.41 H new ATOM 0 HB2 ALA A 57 -2.875 7.189 1.509 1.00 21.41 H new ATOM 0 HB3 ALA A 57 -2.860 8.444 0.248 1.00 21.41 H new ATOM 820 N THR A 58 -0.330 9.965 -0.255 1.00 74.42 N ATOM 821 CA THR A 58 0.447 10.760 -1.179 1.00 51.25 C ATOM 822 C THR A 58 1.852 11.030 -0.631 1.00 70.14 C ATOM 823 O THR A 58 2.812 11.018 -1.395 1.00 32.22 O ATOM 824 CB THR A 58 -0.290 12.092 -1.339 1.00 54.51 C ATOM 825 OG1 THR A 58 -1.697 11.926 -1.439 1.00 65.25 O ATOM 826 CG2 THR A 58 0.198 12.904 -2.519 1.00 4.03 C ATOM 0 H THR A 58 -1.137 10.472 0.108 1.00 74.42 H new ATOM 0 HA THR A 58 0.555 10.233 -2.127 1.00 51.25 H new ATOM 0 HB THR A 58 -0.062 12.643 -0.427 1.00 54.51 H new ATOM 0 HG1 THR A 58 -2.124 12.803 -1.538 1.00 65.25 H new ATOM 0 HG21 THR A 58 -0.364 13.836 -2.577 1.00 4.03 H new ATOM 0 HG22 THR A 58 1.258 13.127 -2.394 1.00 4.03 H new ATOM 0 HG23 THR A 58 0.053 12.335 -3.437 1.00 4.03 H new ATOM 834 N ARG A 59 1.992 11.290 0.679 1.00 73.35 N ATOM 835 CA ARG A 59 3.292 11.574 1.292 1.00 24.10 C ATOM 836 C ARG A 59 4.252 10.412 1.040 1.00 52.31 C ATOM 837 O ARG A 59 5.431 10.630 0.778 1.00 3.23 O ATOM 838 CB ARG A 59 3.123 11.893 2.785 1.00 74.34 C ATOM 839 CG ARG A 59 4.455 12.304 3.438 1.00 14.22 C ATOM 840 CD ARG A 59 4.248 13.318 4.572 1.00 31.14 C ATOM 841 NE ARG A 59 4.037 14.696 4.082 1.00 71.01 N ATOM 842 CZ ARG A 59 4.936 15.461 3.447 1.00 23.12 C ATOM 843 NH1 ARG A 59 6.208 15.097 3.362 1.00 62.44 N ATOM 844 NH2 ARG A 59 4.547 16.590 2.877 1.00 52.32 N ATOM 0 H ARG A 59 1.211 11.308 1.335 1.00 73.35 H new ATOM 0 HA ARG A 59 3.730 12.459 0.831 1.00 24.10 H new ATOM 0 HB2 ARG A 59 2.397 12.697 2.905 1.00 74.34 H new ATOM 0 HB3 ARG A 59 2.720 11.020 3.299 1.00 74.34 H new ATOM 0 HG2 ARG A 59 4.956 11.419 3.830 1.00 14.22 H new ATOM 0 HG3 ARG A 59 5.112 12.734 2.682 1.00 14.22 H new ATOM 0 HD2 ARG A 59 3.389 13.015 5.170 1.00 31.14 H new ATOM 0 HD3 ARG A 59 5.117 13.301 5.230 1.00 31.14 H new ATOM 0 HE ARG A 59 3.117 15.105 4.243 1.00 71.01 H new ATOM 0 HH11 ARG A 59 6.517 14.221 3.784 1.00 62.44 H new ATOM 0 HH12 ARG A 59 6.877 15.693 2.875 1.00 62.44 H new ATOM 0 HH21 ARG A 59 3.568 16.873 2.922 1.00 52.32 H new ATOM 0 HH22 ARG A 59 5.226 17.177 2.392 1.00 52.32 H new ATOM 855 N TRP A 60 3.735 9.185 1.079 1.00 10.04 N ATOM 856 CA TRP A 60 4.507 8.002 0.759 1.00 32.40 C ATOM 857 C TRP A 60 4.890 7.983 -0.725 1.00 42.22 C ATOM 858 O TRP A 60 6.061 7.778 -1.036 1.00 12.11 O ATOM 859 CB TRP A 60 3.704 6.762 1.174 1.00 54.01 C ATOM 860 CG TRP A 60 4.492 5.589 1.659 1.00 25.54 C ATOM 861 CD1 TRP A 60 5.601 5.641 2.434 1.00 33.24 C ATOM 862 CD2 TRP A 60 4.177 4.174 1.513 1.00 53.23 C ATOM 863 NE1 TRP A 60 5.971 4.364 2.801 1.00 30.50 N ATOM 864 CE2 TRP A 60 5.094 3.422 2.299 1.00 14.33 C ATOM 865 CE3 TRP A 60 3.149 3.458 0.865 1.00 61.15 C ATOM 866 CZ2 TRP A 60 4.935 2.042 2.486 1.00 11.21 C ATOM 867 CZ3 TRP A 60 3.045 2.061 0.991 1.00 25.32 C ATOM 868 CH2 TRP A 60 3.929 1.351 1.810 1.00 14.20 C ATOM 0 H TRP A 60 2.767 8.991 1.335 1.00 10.04 H new ATOM 0 HA TRP A 60 5.445 8.006 1.314 1.00 32.40 H new ATOM 0 HB2 TRP A 60 3.008 7.054 1.960 1.00 54.01 H new ATOM 0 HB3 TRP A 60 3.106 6.442 0.321 1.00 54.01 H new ATOM 0 HD1 TRP A 60 6.117 6.545 2.721 1.00 33.24 H new ATOM 0 HE1 TRP A 60 6.788 4.143 3.370 1.00 30.50 H new ATOM 0 HE3 TRP A 60 2.429 3.992 0.262 1.00 61.15 H new ATOM 0 HZ2 TRP A 60 5.594 1.511 3.157 1.00 11.21 H new ATOM 0 HZ3 TRP A 60 2.275 1.531 0.450 1.00 25.32 H new ATOM 0 HH2 TRP A 60 3.834 0.281 1.918 1.00 14.20 H new ATOM 878 N MET A 61 3.927 8.197 -1.633 1.00 41.45 N ATOM 879 CA MET A 61 4.120 8.207 -3.083 1.00 25.53 C ATOM 880 C MET A 61 5.253 9.158 -3.469 1.00 34.11 C ATOM 881 O MET A 61 6.250 8.734 -4.055 1.00 51.14 O ATOM 882 CB MET A 61 2.816 8.634 -3.786 1.00 31.14 C ATOM 883 CG MET A 61 1.615 7.736 -3.483 1.00 45.03 C ATOM 884 SD MET A 61 1.526 6.102 -4.252 1.00 54.43 S ATOM 885 CE MET A 61 1.277 6.619 -5.965 1.00 5.03 C ATOM 0 H MET A 61 2.959 8.374 -1.364 1.00 41.45 H new ATOM 0 HA MET A 61 4.387 7.200 -3.402 1.00 25.53 H new ATOM 0 HB2 MET A 61 2.575 9.655 -3.491 1.00 31.14 H new ATOM 0 HB3 MET A 61 2.984 8.645 -4.863 1.00 31.14 H new ATOM 0 HG2 MET A 61 1.574 7.594 -2.403 1.00 45.03 H new ATOM 0 HG3 MET A 61 0.716 8.283 -3.767 1.00 45.03 H new ATOM 0 HE1 MET A 61 0.786 5.819 -6.519 1.00 5.03 H new ATOM 0 HE2 MET A 61 0.653 7.512 -5.988 1.00 5.03 H new ATOM 0 HE3 MET A 61 2.242 6.838 -6.423 1.00 5.03 H new ATOM 893 N GLU A 62 5.072 10.440 -3.156 1.00 13.01 N ATOM 894 CA GLU A 62 5.874 11.564 -3.620 1.00 50.32 C ATOM 895 C GLU A 62 7.337 11.359 -3.244 1.00 12.42 C ATOM 896 O GLU A 62 8.227 11.420 -4.089 1.00 24.41 O ATOM 897 CB GLU A 62 5.339 12.838 -2.944 1.00 72.35 C ATOM 898 CG GLU A 62 3.946 13.267 -3.427 1.00 51.12 C ATOM 899 CD GLU A 62 4.018 14.240 -4.597 1.00 62.14 C ATOM 900 OE1 GLU A 62 4.210 13.795 -5.752 1.00 21.34 O ATOM 901 OE2 GLU A 62 3.877 15.459 -4.346 1.00 23.53 O ATOM 0 H GLU A 62 4.318 10.736 -2.536 1.00 13.01 H new ATOM 0 HA GLU A 62 5.808 11.648 -4.705 1.00 50.32 H new ATOM 0 HB2 GLU A 62 5.304 12.677 -1.866 1.00 72.35 H new ATOM 0 HB3 GLU A 62 6.040 13.653 -3.123 1.00 72.35 H new ATOM 0 HG2 GLU A 62 3.379 12.385 -3.724 1.00 51.12 H new ATOM 0 HG3 GLU A 62 3.404 13.732 -2.603 1.00 51.12 H new ATOM 906 N ALA A 63 7.564 11.076 -1.962 1.00 14.24 N ATOM 907 CA ALA A 63 8.882 11.016 -1.351 1.00 41.11 C ATOM 908 C ALA A 63 9.686 9.877 -1.946 1.00 43.42 C ATOM 909 O ALA A 63 10.893 10.004 -2.182 1.00 70.21 O ATOM 910 CB ALA A 63 8.727 10.834 0.163 1.00 42.02 C ATOM 0 H ALA A 63 6.810 10.877 -1.304 1.00 14.24 H new ATOM 0 HA ALA A 63 9.417 11.945 -1.547 1.00 41.11 H new ATOM 0 HB1 ALA A 63 9.712 10.788 0.627 1.00 42.02 H new ATOM 0 HB2 ALA A 63 8.170 11.676 0.576 1.00 42.02 H new ATOM 0 HB3 ALA A 63 8.188 9.909 0.365 1.00 42.02 H new ATOM 916 N ASN A 64 9.009 8.755 -2.177 1.00 14.42 N ATOM 917 CA ASN A 64 9.640 7.582 -2.735 1.00 32.12 C ATOM 918 C ASN A 64 9.695 7.652 -4.253 1.00 70.15 C ATOM 919 O ASN A 64 10.201 6.721 -4.875 1.00 71.32 O ATOM 920 CB ASN A 64 8.923 6.321 -2.244 1.00 61.45 C ATOM 921 CG ASN A 64 9.208 6.123 -0.770 1.00 54.01 C ATOM 922 OD1 ASN A 64 10.334 5.826 -0.385 1.00 63.32 O ATOM 923 ND2 ASN A 64 8.231 6.337 0.086 1.00 30.41 N ATOM 0 H ASN A 64 8.014 8.642 -1.981 1.00 14.42 H new ATOM 0 HA ASN A 64 10.673 7.541 -2.389 1.00 32.12 H new ATOM 0 HB2 ASN A 64 7.849 6.412 -2.409 1.00 61.45 H new ATOM 0 HB3 ASN A 64 9.260 5.453 -2.811 1.00 61.45 H new ATOM 0 HD21 ASN A 64 8.404 6.257 1.088 1.00 30.41 H new ATOM 0 HD22 ASN A 64 7.301 6.583 -0.253 1.00 30.41 H new ATOM 929 N GLN A 65 9.206 8.725 -4.886 1.00 64.45 N ATOM 930 CA GLN A 65 9.196 8.872 -6.338 1.00 3.32 C ATOM 931 C GLN A 65 8.513 7.636 -6.938 1.00 25.10 C ATOM 932 O GLN A 65 9.019 6.991 -7.861 1.00 42.24 O ATOM 933 CB GLN A 65 10.628 9.141 -6.840 1.00 32.31 C ATOM 934 CG GLN A 65 11.296 10.340 -6.135 1.00 1.14 C ATOM 935 CD GLN A 65 12.707 10.009 -5.657 1.00 30.22 C ATOM 936 OE1 GLN A 65 13.658 10.038 -6.433 1.00 32.11 O ATOM 937 NE2 GLN A 65 12.887 9.684 -4.385 1.00 43.03 N ATOM 0 H GLN A 65 8.802 9.522 -4.394 1.00 64.45 H new ATOM 0 HA GLN A 65 8.617 9.735 -6.666 1.00 3.32 H new ATOM 0 HB2 GLN A 65 11.236 8.250 -6.684 1.00 32.31 H new ATOM 0 HB3 GLN A 65 10.602 9.326 -7.914 1.00 32.31 H new ATOM 0 HG2 GLN A 65 11.335 11.187 -6.819 1.00 1.14 H new ATOM 0 HG3 GLN A 65 10.687 10.645 -5.284 1.00 1.14 H new ATOM 0 HE21 GLN A 65 12.092 9.662 -3.747 1.00 43.03 H new ATOM 0 HE22 GLN A 65 13.821 9.456 -4.044 1.00 43.03 H new ATOM 944 N HIS A 66 7.390 7.267 -6.312 1.00 34.53 N ATOM 945 CA HIS A 66 6.577 6.090 -6.596 1.00 14.13 C ATOM 946 C HIS A 66 7.352 4.750 -6.593 1.00 45.44 C ATOM 947 O HIS A 66 6.830 3.753 -7.098 1.00 65.22 O ATOM 948 CB HIS A 66 5.777 6.286 -7.898 1.00 63.11 C ATOM 949 CG HIS A 66 4.757 7.401 -7.944 1.00 71.11 C ATOM 950 ND1 HIS A 66 3.816 7.530 -8.940 1.00 61.21 N ATOM 951 CD2 HIS A 66 4.548 8.421 -7.050 1.00 30.20 C ATOM 952 CE1 HIS A 66 3.049 8.593 -8.651 1.00 5.40 C ATOM 953 NE2 HIS A 66 3.466 9.173 -7.513 1.00 41.21 N ATOM 0 H HIS A 66 7.005 7.820 -5.546 1.00 34.53 H new ATOM 0 HA HIS A 66 5.883 6.002 -5.760 1.00 14.13 H new ATOM 0 HB2 HIS A 66 6.490 6.452 -8.706 1.00 63.11 H new ATOM 0 HB3 HIS A 66 5.260 5.351 -8.116 1.00 63.11 H new ATOM 0 HD2 HIS A 66 5.117 8.608 -6.151 1.00 30.20 H new ATOM 0 HE1 HIS A 66 2.216 8.933 -9.248 1.00 5.40 H new ATOM 0 HE2 HIS A 66 3.069 10.003 -7.072 1.00 41.21 H new ATOM 960 N SER A 67 8.571 4.666 -6.048 1.00 51.22 N ATOM 961 CA SER A 67 9.367 3.441 -6.056 1.00 24.11 C ATOM 962 C SER A 67 9.849 3.123 -4.641 1.00 54.23 C ATOM 963 O SER A 67 10.665 3.862 -4.094 1.00 33.32 O ATOM 964 CB SER A 67 10.560 3.555 -7.014 1.00 50.45 C ATOM 965 OG SER A 67 10.317 4.381 -8.149 1.00 42.23 O ATOM 0 H SER A 67 9.032 5.451 -5.588 1.00 51.22 H new ATOM 0 HA SER A 67 8.734 2.627 -6.410 1.00 24.11 H new ATOM 0 HB2 SER A 67 11.415 3.951 -6.467 1.00 50.45 H new ATOM 0 HB3 SER A 67 10.834 2.557 -7.356 1.00 50.45 H new ATOM 0 HG SER A 67 10.026 5.268 -7.852 1.00 42.23 H new ATOM 970 N LEU A 68 9.350 2.043 -4.043 1.00 12.04 N ATOM 971 CA LEU A 68 9.920 1.531 -2.793 1.00 34.52 C ATOM 972 C LEU A 68 10.995 0.495 -3.121 1.00 33.33 C ATOM 973 O LEU A 68 11.174 0.112 -4.285 1.00 33.33 O ATOM 974 CB LEU A 68 8.862 0.903 -1.867 1.00 4.43 C ATOM 975 CG LEU A 68 7.775 1.842 -1.323 1.00 33.43 C ATOM 976 CD1 LEU A 68 6.737 1.037 -0.535 1.00 34.20 C ATOM 977 CD2 LEU A 68 8.351 2.917 -0.400 1.00 2.22 C ATOM 0 H LEU A 68 8.558 1.507 -4.398 1.00 12.04 H new ATOM 0 HA LEU A 68 10.349 2.378 -2.257 1.00 34.52 H new ATOM 0 HB2 LEU A 68 8.372 0.094 -2.410 1.00 4.43 H new ATOM 0 HB3 LEU A 68 9.377 0.452 -1.019 1.00 4.43 H new ATOM 0 HG LEU A 68 7.317 2.331 -2.183 1.00 33.43 H new ATOM 0 HD11 LEU A 68 5.969 1.709 -0.152 1.00 34.20 H new ATOM 0 HD12 LEU A 68 6.277 0.297 -1.190 1.00 34.20 H new ATOM 0 HD13 LEU A 68 7.225 0.531 0.298 1.00 34.20 H new ATOM 0 HD21 LEU A 68 7.546 3.557 -0.040 1.00 2.22 H new ATOM 0 HD22 LEU A 68 8.844 2.442 0.448 1.00 2.22 H new ATOM 0 HD23 LEU A 68 9.075 3.519 -0.950 1.00 2.22 H new ATOM 988 N ASN A 69 11.685 0.008 -2.092 1.00 24.24 N ATOM 989 CA ASN A 69 12.748 -0.966 -2.205 1.00 34.33 C ATOM 990 C ASN A 69 12.801 -1.830 -0.950 1.00 10.04 C ATOM 991 O ASN A 69 13.225 -1.365 0.109 1.00 24.40 O ATOM 992 CB ASN A 69 14.064 -0.240 -2.461 1.00 25.31 C ATOM 993 CG ASN A 69 15.137 -1.221 -2.887 1.00 21.52 C ATOM 994 OD1 ASN A 69 16.063 -1.519 -2.142 1.00 11.30 O ATOM 995 ND2 ASN A 69 15.083 -1.733 -4.104 1.00 32.44 N ATOM 0 H ASN A 69 11.508 0.295 -1.129 1.00 24.24 H new ATOM 0 HA ASN A 69 12.561 -1.634 -3.046 1.00 34.33 H new ATOM 0 HB2 ASN A 69 13.925 0.515 -3.235 1.00 25.31 H new ATOM 0 HB3 ASN A 69 14.379 0.283 -1.558 1.00 25.31 H new ATOM 0 HD21 ASN A 69 15.811 -2.374 -4.420 1.00 32.44 H new ATOM 0 HD22 ASN A 69 14.314 -1.487 -4.727 1.00 32.44 H new ATOM 1001 N ILE A 70 12.327 -3.071 -1.061 1.00 11.22 N ATOM 1002 CA ILE A 70 12.151 -4.014 0.034 1.00 3.14 C ATOM 1003 C ILE A 70 12.949 -5.259 -0.315 1.00 64.22 C ATOM 1004 O ILE A 70 12.793 -5.806 -1.412 1.00 42.22 O ATOM 1005 CB ILE A 70 10.646 -4.296 0.212 1.00 74.35 C ATOM 1006 CG1 ILE A 70 9.930 -3.029 0.727 1.00 54.13 C ATOM 1007 CG2 ILE A 70 10.374 -5.468 1.170 1.00 22.43 C ATOM 1008 CD1 ILE A 70 9.185 -2.258 -0.363 1.00 61.54 C ATOM 0 H ILE A 70 12.043 -3.460 -1.960 1.00 11.22 H new ATOM 0 HA ILE A 70 12.514 -3.625 0.985 1.00 3.14 H new ATOM 0 HB ILE A 70 10.256 -4.577 -0.766 1.00 74.35 H new ATOM 0 HG12 ILE A 70 9.223 -3.313 1.506 1.00 54.13 H new ATOM 0 HG13 ILE A 70 10.665 -2.369 1.189 1.00 54.13 H new ATOM 0 HG21 ILE A 70 9.299 -5.623 1.259 1.00 22.43 H new ATOM 0 HG22 ILE A 70 10.840 -6.373 0.780 1.00 22.43 H new ATOM 0 HG23 ILE A 70 10.790 -5.240 2.151 1.00 22.43 H new ATOM 0 HD11 ILE A 70 8.707 -1.381 0.074 1.00 61.54 H new ATOM 0 HD12 ILE A 70 9.890 -1.942 -1.132 1.00 61.54 H new ATOM 0 HD13 ILE A 70 8.426 -2.901 -0.809 1.00 61.54 H new ATOM 1019 N LEU A 71 13.805 -5.703 0.610 1.00 21.53 N ATOM 1020 CA LEU A 71 14.757 -6.796 0.415 1.00 21.41 C ATOM 1021 C LEU A 71 15.574 -6.571 -0.865 1.00 52.04 C ATOM 1022 O LEU A 71 15.916 -7.510 -1.584 1.00 31.22 O ATOM 1023 CB LEU A 71 14.036 -8.160 0.475 1.00 51.11 C ATOM 1024 CG LEU A 71 13.266 -8.434 1.784 1.00 44.31 C ATOM 1025 CD1 LEU A 71 12.644 -9.832 1.717 1.00 12.00 C ATOM 1026 CD2 LEU A 71 14.143 -8.352 3.037 1.00 24.42 C ATOM 0 H LEU A 71 13.855 -5.297 1.545 1.00 21.53 H new ATOM 0 HA LEU A 71 15.479 -6.809 1.231 1.00 21.41 H new ATOM 0 HB2 LEU A 71 13.337 -8.222 -0.359 1.00 51.11 H new ATOM 0 HB3 LEU A 71 14.773 -8.950 0.333 1.00 51.11 H new ATOM 0 HG LEU A 71 12.507 -7.656 1.868 1.00 44.31 H new ATOM 0 HD11 LEU A 71 12.098 -10.032 2.639 1.00 12.00 H new ATOM 0 HD12 LEU A 71 11.959 -9.885 0.871 1.00 12.00 H new ATOM 0 HD13 LEU A 71 13.432 -10.575 1.593 1.00 12.00 H new ATOM 0 HD21 LEU A 71 13.536 -8.555 3.920 1.00 24.42 H new ATOM 0 HD22 LEU A 71 14.944 -9.088 2.969 1.00 24.42 H new ATOM 0 HD23 LEU A 71 14.574 -7.354 3.115 1.00 24.42 H new ATOM 1037 N GLY A 72 15.830 -5.301 -1.188 1.00 14.40 N ATOM 1038 CA GLY A 72 16.568 -4.875 -2.359 1.00 13.40 C ATOM 1039 C GLY A 72 15.780 -4.913 -3.674 1.00 35.11 C ATOM 1040 O GLY A 72 16.275 -4.370 -4.666 1.00 34.30 O ATOM 0 H GLY A 72 15.513 -4.519 -0.614 1.00 14.40 H new ATOM 0 HA2 GLY A 72 16.923 -3.857 -2.195 1.00 13.40 H new ATOM 0 HA3 GLY A 72 17.450 -5.507 -2.463 1.00 13.40 H new ATOM 1044 N GLN A 73 14.574 -5.493 -3.736 1.00 63.45 N ATOM 1045 CA GLN A 73 13.768 -5.512 -4.951 1.00 11.14 C ATOM 1046 C GLN A 73 13.166 -4.134 -5.132 1.00 54.21 C ATOM 1047 O GLN A 73 12.678 -3.540 -4.171 1.00 75.54 O ATOM 1048 CB GLN A 73 12.653 -6.565 -4.870 1.00 11.33 C ATOM 1049 CG GLN A 73 13.134 -7.960 -5.292 1.00 60.33 C ATOM 1050 CD GLN A 73 14.262 -8.447 -4.395 1.00 74.53 C ATOM 1051 OE1 GLN A 73 15.426 -8.487 -4.798 1.00 1.34 O ATOM 1052 NE2 GLN A 73 13.941 -8.751 -3.153 1.00 31.14 N ATOM 0 H GLN A 73 14.135 -5.960 -2.943 1.00 63.45 H new ATOM 0 HA GLN A 73 14.400 -5.775 -5.800 1.00 11.14 H new ATOM 0 HB2 GLN A 73 12.271 -6.608 -3.850 1.00 11.33 H new ATOM 0 HB3 GLN A 73 11.823 -6.261 -5.508 1.00 11.33 H new ATOM 0 HG2 GLN A 73 12.302 -8.663 -5.249 1.00 60.33 H new ATOM 0 HG3 GLN A 73 13.475 -7.933 -6.327 1.00 60.33 H new ATOM 0 HE21 GLN A 73 12.967 -8.707 -2.853 1.00 31.14 H new ATOM 0 HE22 GLN A 73 14.666 -9.030 -2.492 1.00 31.14 H new ATOM 1059 N LYS A 74 13.205 -3.617 -6.357 1.00 14.04 N ATOM 1060 CA LYS A 74 12.457 -2.435 -6.734 1.00 60.22 C ATOM 1061 C LYS A 74 10.987 -2.808 -6.617 1.00 2.34 C ATOM 1062 O LYS A 74 10.572 -3.871 -7.069 1.00 74.14 O ATOM 1063 CB LYS A 74 12.823 -2.033 -8.170 1.00 73.21 C ATOM 1064 CG LYS A 74 12.295 -0.642 -8.548 1.00 74.15 C ATOM 1065 CD LYS A 74 13.077 0.521 -7.904 1.00 54.45 C ATOM 1066 CE LYS A 74 13.484 1.570 -8.952 1.00 43.41 C ATOM 1067 NZ LYS A 74 12.335 2.235 -9.614 1.00 3.04 N ATOM 0 H LYS A 74 13.761 -4.013 -7.115 1.00 14.04 H new ATOM 0 HA LYS A 74 12.683 -1.581 -6.095 1.00 60.22 H new ATOM 0 HB2 LYS A 74 13.907 -2.049 -8.282 1.00 73.21 H new ATOM 0 HB3 LYS A 74 12.420 -2.771 -8.864 1.00 73.21 H new ATOM 0 HG2 LYS A 74 12.330 -0.534 -9.632 1.00 74.15 H new ATOM 0 HG3 LYS A 74 11.248 -0.570 -8.254 1.00 74.15 H new ATOM 0 HD2 LYS A 74 12.465 0.991 -7.135 1.00 54.45 H new ATOM 0 HD3 LYS A 74 13.968 0.133 -7.410 1.00 54.45 H new ATOM 0 HE2 LYS A 74 14.103 2.328 -8.472 1.00 43.41 H new ATOM 0 HE3 LYS A 74 14.101 1.090 -9.712 1.00 43.41 H new ATOM 0 HZ1 LYS A 74 12.421 2.131 -10.645 1.00 3.04 H new ATOM 0 HZ2 LYS A 74 11.448 1.796 -9.294 1.00 3.04 H new ATOM 0 HZ3 LYS A 74 12.329 3.245 -9.367 1.00 3.04 H new ATOM 1077 N VAL A 75 10.207 -1.921 -6.028 1.00 72.44 N ATOM 1078 CA VAL A 75 8.776 -2.057 -5.846 1.00 21.53 C ATOM 1079 C VAL A 75 8.161 -0.816 -6.494 1.00 52.43 C ATOM 1080 O VAL A 75 8.825 0.220 -6.635 1.00 41.42 O ATOM 1081 CB VAL A 75 8.521 -2.236 -4.330 1.00 43.15 C ATOM 1082 CG1 VAL A 75 7.055 -2.198 -3.891 1.00 53.32 C ATOM 1083 CG2 VAL A 75 9.118 -3.567 -3.840 1.00 64.21 C ATOM 0 H VAL A 75 10.571 -1.048 -5.647 1.00 72.44 H new ATOM 0 HA VAL A 75 8.314 -2.924 -6.318 1.00 21.53 H new ATOM 0 HB VAL A 75 9.006 -1.369 -3.882 1.00 43.15 H new ATOM 0 HG11 VAL A 75 6.995 -2.333 -2.811 1.00 53.32 H new ATOM 0 HG12 VAL A 75 6.619 -1.236 -4.161 1.00 53.32 H new ATOM 0 HG13 VAL A 75 6.506 -2.997 -4.388 1.00 53.32 H new ATOM 0 HG21 VAL A 75 8.931 -3.679 -2.772 1.00 64.21 H new ATOM 0 HG22 VAL A 75 8.654 -4.394 -4.378 1.00 64.21 H new ATOM 0 HG23 VAL A 75 10.193 -3.573 -4.022 1.00 64.21 H new ATOM 1093 N SER A 76 6.906 -0.904 -6.918 1.00 33.33 N ATOM 1094 CA SER A 76 6.140 0.235 -7.425 1.00 52.03 C ATOM 1095 C SER A 76 4.861 0.414 -6.597 1.00 63.51 C ATOM 1096 O SER A 76 4.343 -0.570 -6.067 1.00 22.40 O ATOM 1097 CB SER A 76 5.912 0.049 -8.931 1.00 73.33 C ATOM 1098 OG SER A 76 5.573 -1.286 -9.276 1.00 11.40 O ATOM 0 H SER A 76 6.382 -1.779 -6.921 1.00 33.33 H new ATOM 0 HA SER A 76 6.688 1.170 -7.311 1.00 52.03 H new ATOM 0 HB2 SER A 76 5.116 0.717 -9.258 1.00 73.33 H new ATOM 0 HB3 SER A 76 6.814 0.340 -9.469 1.00 73.33 H new ATOM 0 HG SER A 76 5.437 -1.349 -10.244 1.00 11.40 H new ATOM 1103 N MET A 77 4.379 1.652 -6.434 1.00 2.32 N ATOM 1104 CA MET A 77 3.230 2.000 -5.587 1.00 5.04 C ATOM 1105 C MET A 77 2.163 2.721 -6.391 1.00 11.33 C ATOM 1106 O MET A 77 2.483 3.603 -7.186 1.00 1.40 O ATOM 1107 CB MET A 77 3.602 2.863 -4.370 1.00 21.23 C ATOM 1108 CG MET A 77 4.513 4.057 -4.668 1.00 1.21 C ATOM 1109 SD MET A 77 5.845 4.392 -3.483 1.00 63.55 S ATOM 1110 CE MET A 77 4.895 4.642 -1.964 1.00 63.11 C ATOM 0 H MET A 77 4.788 2.462 -6.900 1.00 2.32 H new ATOM 0 HA MET A 77 2.848 1.050 -5.213 1.00 5.04 H new ATOM 0 HB2 MET A 77 2.684 3.233 -3.913 1.00 21.23 H new ATOM 0 HB3 MET A 77 4.092 2.228 -3.632 1.00 21.23 H new ATOM 0 HG2 MET A 77 4.963 3.903 -5.649 1.00 1.21 H new ATOM 0 HG3 MET A 77 3.890 4.949 -4.739 1.00 1.21 H new ATOM 0 HE1 MET A 77 5.512 5.160 -1.230 1.00 63.11 H new ATOM 0 HE2 MET A 77 4.011 5.241 -2.182 1.00 63.11 H new ATOM 0 HE3 MET A 77 4.589 3.676 -1.563 1.00 63.11 H new ATOM 1118 N HIS A 78 0.902 2.361 -6.144 1.00 35.50 N ATOM 1119 CA HIS A 78 -0.246 2.780 -6.938 1.00 34.13 C ATOM 1120 C HIS A 78 -1.460 3.002 -6.040 1.00 11.30 C ATOM 1121 O HIS A 78 -1.621 2.306 -5.033 1.00 72.24 O ATOM 1122 CB HIS A 78 -0.536 1.687 -7.970 1.00 63.41 C ATOM 1123 CG HIS A 78 0.669 1.386 -8.823 1.00 12.04 C ATOM 1124 ND1 HIS A 78 1.227 2.257 -9.730 1.00 53.31 N ATOM 1125 CD2 HIS A 78 1.550 0.351 -8.634 1.00 71.11 C ATOM 1126 CE1 HIS A 78 2.408 1.747 -10.097 1.00 55.43 C ATOM 1127 NE2 HIS A 78 2.626 0.557 -9.506 1.00 35.52 N ATOM 0 H HIS A 78 0.648 1.754 -5.365 1.00 35.50 H new ATOM 0 HA HIS A 78 -0.029 3.721 -7.443 1.00 34.13 H new ATOM 0 HB2 HIS A 78 -0.854 0.779 -7.458 1.00 63.41 H new ATOM 0 HB3 HIS A 78 -1.363 2.000 -8.607 1.00 63.41 H new ATOM 0 HD1 HIS A 78 0.816 3.130 -10.061 1.00 53.31 H new ATOM 0 HD2 HIS A 78 1.435 -0.470 -7.942 1.00 71.11 H new ATOM 0 HE1 HIS A 78 3.096 2.227 -10.778 1.00 55.43 H new ATOM 1134 N TYR A 79 -2.316 3.954 -6.416 1.00 25.34 N ATOM 1135 CA TYR A 79 -3.488 4.391 -5.673 1.00 42.21 C ATOM 1136 C TYR A 79 -4.654 3.404 -5.854 1.00 3.14 C ATOM 1137 O TYR A 79 -5.640 3.715 -6.533 1.00 64.42 O ATOM 1138 CB TYR A 79 -3.891 5.799 -6.160 1.00 4.23 C ATOM 1139 CG TYR A 79 -2.964 6.960 -5.852 1.00 22.30 C ATOM 1140 CD1 TYR A 79 -2.593 7.202 -4.522 1.00 42.03 C ATOM 1141 CD2 TYR A 79 -2.591 7.880 -6.851 1.00 2.32 C ATOM 1142 CE1 TYR A 79 -1.926 8.381 -4.165 1.00 31.24 C ATOM 1143 CE2 TYR A 79 -1.855 9.033 -6.518 1.00 21.11 C ATOM 1144 CZ TYR A 79 -1.527 9.288 -5.168 1.00 24.54 C ATOM 1145 OH TYR A 79 -0.811 10.390 -4.829 1.00 50.02 O ATOM 0 H TYR A 79 -2.200 4.464 -7.292 1.00 25.34 H new ATOM 0 HA TYR A 79 -3.248 4.424 -4.610 1.00 42.21 H new ATOM 0 HB2 TYR A 79 -4.018 5.753 -7.242 1.00 4.23 H new ATOM 0 HB3 TYR A 79 -4.867 6.031 -5.734 1.00 4.23 H new ATOM 0 HD1 TYR A 79 -2.824 6.470 -3.763 1.00 42.03 H new ATOM 0 HD2 TYR A 79 -2.871 7.700 -7.878 1.00 2.32 H new ATOM 0 HE1 TYR A 79 -1.718 8.594 -3.127 1.00 31.24 H new ATOM 0 HE2 TYR A 79 -1.543 9.719 -7.291 1.00 21.11 H new ATOM 0 HH TYR A 79 -0.614 10.912 -5.634 1.00 50.02 H new ATOM 1154 N SER A 80 -4.578 2.218 -5.252 1.00 14.10 N ATOM 1155 CA SER A 80 -5.601 1.172 -5.322 1.00 74.14 C ATOM 1156 C SER A 80 -6.788 1.436 -4.378 1.00 13.13 C ATOM 1157 O SER A 80 -7.155 0.582 -3.568 1.00 64.14 O ATOM 1158 CB SER A 80 -4.932 -0.191 -5.095 1.00 24.32 C ATOM 1159 OG SER A 80 -4.634 -0.761 -6.357 1.00 55.00 O ATOM 0 H SER A 80 -3.776 1.948 -4.682 1.00 14.10 H new ATOM 0 HA SER A 80 -6.047 1.175 -6.316 1.00 74.14 H new ATOM 0 HB2 SER A 80 -4.021 -0.073 -4.508 1.00 24.32 H new ATOM 0 HB3 SER A 80 -5.593 -0.848 -4.529 1.00 24.32 H new ATOM 0 HG SER A 80 -5.114 -1.610 -6.454 1.00 55.00 H new ATOM 1164 N ASP A 81 -7.419 2.611 -4.496 1.00 24.11 N ATOM 1165 CA ASP A 81 -8.597 2.989 -3.702 1.00 43.53 C ATOM 1166 C ASP A 81 -9.705 1.927 -3.816 1.00 11.54 C ATOM 1167 O ASP A 81 -9.738 1.176 -4.798 1.00 32.14 O ATOM 1168 CB ASP A 81 -9.132 4.374 -4.125 1.00 10.25 C ATOM 1169 CG ASP A 81 -9.041 5.465 -3.051 1.00 51.35 C ATOM 1170 OD1 ASP A 81 -8.769 5.195 -1.857 1.00 43.11 O ATOM 1171 OD2 ASP A 81 -9.183 6.644 -3.429 1.00 25.40 O ATOM 0 H ASP A 81 -7.124 3.334 -5.152 1.00 24.11 H new ATOM 0 HA ASP A 81 -8.286 3.048 -2.659 1.00 43.53 H new ATOM 0 HB2 ASP A 81 -8.580 4.706 -5.005 1.00 10.25 H new ATOM 0 HB3 ASP A 81 -10.175 4.267 -4.424 1.00 10.25 H new ATOM 1175 N PRO A 82 -10.625 1.840 -2.839 1.00 54.51 N ATOM 1176 CA PRO A 82 -11.460 0.655 -2.641 1.00 34.25 C ATOM 1177 C PRO A 82 -12.572 0.491 -3.678 1.00 61.13 C ATOM 1178 O PRO A 82 -13.083 -0.612 -3.874 1.00 72.10 O ATOM 1179 CB PRO A 82 -12.050 0.823 -1.240 1.00 42.54 C ATOM 1180 CG PRO A 82 -12.068 2.331 -1.020 1.00 44.22 C ATOM 1181 CD PRO A 82 -10.828 2.802 -1.767 1.00 32.12 C ATOM 0 HA PRO A 82 -10.858 -0.247 -2.755 1.00 34.25 H new ATOM 0 HB2 PRO A 82 -13.052 0.399 -1.177 1.00 42.54 H new ATOM 0 HB3 PRO A 82 -11.442 0.318 -0.489 1.00 42.54 H new ATOM 0 HG2 PRO A 82 -12.975 2.786 -1.417 1.00 44.22 H new ATOM 0 HG3 PRO A 82 -12.022 2.585 0.039 1.00 44.22 H new ATOM 0 HD2 PRO A 82 -10.969 3.807 -2.164 1.00 32.12 H new ATOM 0 HD3 PRO A 82 -9.963 2.839 -1.105 1.00 32.12 H new ATOM 1186 N LYS A 83 -12.995 1.595 -4.285 1.00 72.44 N ATOM 1187 CA LYS A 83 -14.000 1.673 -5.339 1.00 35.33 C ATOM 1188 C LYS A 83 -13.805 2.981 -6.106 1.00 44.54 C ATOM 1189 O LYS A 83 -13.202 3.900 -5.540 1.00 71.24 O ATOM 1190 CB LYS A 83 -15.391 1.587 -4.685 1.00 52.40 C ATOM 1191 CG LYS A 83 -15.808 2.858 -3.925 1.00 4.33 C ATOM 1192 CD LYS A 83 -17.019 2.628 -3.016 1.00 51.50 C ATOM 1193 CE LYS A 83 -16.635 1.710 -1.849 1.00 45.14 C ATOM 1194 NZ LYS A 83 -17.686 1.606 -0.820 1.00 70.22 N ATOM 0 H LYS A 83 -12.624 2.513 -4.040 1.00 72.44 H new ATOM 0 HA LYS A 83 -13.904 0.852 -6.050 1.00 35.33 H new ATOM 0 HB2 LYS A 83 -16.131 1.379 -5.457 1.00 52.40 H new ATOM 0 HB3 LYS A 83 -15.405 0.743 -3.995 1.00 52.40 H new ATOM 0 HG2 LYS A 83 -14.969 3.210 -3.325 1.00 4.33 H new ATOM 0 HG3 LYS A 83 -16.040 3.646 -4.641 1.00 4.33 H new ATOM 0 HD2 LYS A 83 -17.383 3.582 -2.634 1.00 51.50 H new ATOM 0 HD3 LYS A 83 -17.833 2.182 -3.587 1.00 51.50 H new ATOM 0 HE2 LYS A 83 -16.415 0.715 -2.236 1.00 45.14 H new ATOM 0 HE3 LYS A 83 -15.720 2.083 -1.388 1.00 45.14 H new ATOM 0 HZ1 LYS A 83 -17.366 0.973 -0.060 1.00 70.22 H new ATOM 0 HZ2 LYS A 83 -17.881 2.549 -0.426 1.00 70.22 H new ATOM 0 HZ3 LYS A 83 -18.554 1.223 -1.247 1.00 70.22 H new ATOM 1204 N PRO A 84 -14.358 3.118 -7.324 1.00 12.15 N ATOM 1205 CA PRO A 84 -14.316 4.365 -8.062 1.00 52.31 C ATOM 1206 C PRO A 84 -15.234 5.352 -7.350 1.00 52.14 C ATOM 1207 O PRO A 84 -16.453 5.204 -7.377 1.00 34.24 O ATOM 1208 CB PRO A 84 -14.757 4.027 -9.489 1.00 23.42 C ATOM 1209 CG PRO A 84 -15.651 2.806 -9.308 1.00 72.31 C ATOM 1210 CD PRO A 84 -15.061 2.101 -8.088 1.00 32.25 C ATOM 0 HA PRO A 84 -13.331 4.830 -8.109 1.00 52.31 H new ATOM 0 HB2 PRO A 84 -15.297 4.855 -9.948 1.00 23.42 H new ATOM 0 HB3 PRO A 84 -13.904 3.808 -10.131 1.00 23.42 H new ATOM 0 HG2 PRO A 84 -16.690 3.092 -9.142 1.00 72.31 H new ATOM 0 HG3 PRO A 84 -15.634 2.164 -10.188 1.00 72.31 H new ATOM 0 HD2 PRO A 84 -15.846 1.639 -7.489 1.00 32.25 H new ATOM 0 HD3 PRO A 84 -14.381 1.304 -8.391 1.00 32.25 H new ATOM 1215 N LYS A 85 -14.648 6.310 -6.637 1.00 41.51 N ATOM 1216 CA LYS A 85 -15.337 7.205 -5.722 1.00 52.54 C ATOM 1217 C LYS A 85 -15.153 8.660 -6.145 1.00 52.51 C ATOM 1218 O LYS A 85 -14.691 9.514 -5.382 1.00 53.53 O ATOM 1219 CB LYS A 85 -14.921 6.874 -4.291 1.00 74.03 C ATOM 1220 CG LYS A 85 -13.412 6.944 -3.974 1.00 3.23 C ATOM 1221 CD LYS A 85 -13.042 6.046 -2.785 1.00 4.15 C ATOM 1222 CE LYS A 85 -13.845 6.422 -1.535 1.00 72.24 C ATOM 1223 NZ LYS A 85 -13.484 5.610 -0.355 1.00 1.31 N ATOM 0 H LYS A 85 -13.645 6.488 -6.685 1.00 41.51 H new ATOM 0 HA LYS A 85 -16.416 7.055 -5.760 1.00 52.54 H new ATOM 0 HB2 LYS A 85 -15.442 7.556 -3.619 1.00 74.03 H new ATOM 0 HB3 LYS A 85 -15.271 5.868 -4.059 1.00 74.03 H new ATOM 0 HG2 LYS A 85 -12.841 6.641 -4.851 1.00 3.23 H new ATOM 0 HG3 LYS A 85 -13.133 7.974 -3.753 1.00 3.23 H new ATOM 0 HD2 LYS A 85 -13.230 5.003 -3.041 1.00 4.15 H new ATOM 0 HD3 LYS A 85 -11.976 6.136 -2.576 1.00 4.15 H new ATOM 0 HE2 LYS A 85 -13.683 7.476 -1.308 1.00 72.24 H new ATOM 0 HE3 LYS A 85 -14.908 6.301 -1.742 1.00 72.24 H new ATOM 0 HZ1 LYS A 85 -14.021 5.941 0.472 1.00 1.31 H new ATOM 0 HZ2 LYS A 85 -13.711 4.612 -0.538 1.00 1.31 H new ATOM 0 HZ3 LYS A 85 -12.466 5.705 -0.167 1.00 1.31 H new ATOM 1233 N ILE A 86 -15.537 8.924 -7.387 1.00 43.20 N ATOM 1234 CA ILE A 86 -15.642 10.241 -8.005 1.00 45.23 C ATOM 1235 C ILE A 86 -17.034 10.790 -7.697 1.00 11.13 C ATOM 1236 O ILE A 86 -17.974 10.025 -7.458 1.00 70.44 O ATOM 1237 CB ILE A 86 -15.421 10.160 -9.542 1.00 30.32 C ATOM 1238 CG1 ILE A 86 -14.468 9.036 -10.023 1.00 63.20 C ATOM 1239 CG2 ILE A 86 -14.848 11.501 -10.017 1.00 2.42 C ATOM 1240 CD1 ILE A 86 -15.174 7.706 -10.316 1.00 5.24 C ATOM 0 H ILE A 86 -15.800 8.178 -8.031 1.00 43.20 H new ATOM 0 HA ILE A 86 -14.872 10.899 -7.604 1.00 45.23 H new ATOM 0 HB ILE A 86 -16.397 9.928 -9.967 1.00 30.32 H new ATOM 0 HG12 ILE A 86 -13.954 9.370 -10.925 1.00 63.20 H new ATOM 0 HG13 ILE A 86 -13.704 8.871 -9.263 1.00 63.20 H new ATOM 0 HG21 ILE A 86 -14.685 11.466 -11.094 1.00 2.42 H new ATOM 0 HG22 ILE A 86 -15.551 12.301 -9.782 1.00 2.42 H new ATOM 0 HG23 ILE A 86 -13.900 11.691 -9.513 1.00 2.42 H new ATOM 0 HD11 ILE A 86 -14.441 6.970 -10.647 1.00 5.24 H new ATOM 0 HD12 ILE A 86 -15.665 7.347 -9.411 1.00 5.24 H new ATOM 0 HD13 ILE A 86 -15.919 7.854 -11.098 1.00 5.24 H new ATOM 1251 N ASN A 87 -17.185 12.109 -7.712 1.00 73.12 N ATOM 1252 CA ASN A 87 -18.487 12.745 -7.870 1.00 42.23 C ATOM 1253 C ASN A 87 -18.907 12.512 -9.324 1.00 11.21 C ATOM 1254 O ASN A 87 -18.070 12.673 -10.205 1.00 5.10 O ATOM 1255 CB ASN A 87 -18.369 14.254 -7.632 1.00 65.45 C ATOM 1256 CG ASN A 87 -18.010 14.710 -6.220 1.00 64.24 C ATOM 1257 OD1 ASN A 87 -17.862 15.900 -5.969 1.00 70.15 O ATOM 1258 ND2 ASN A 87 -17.784 13.814 -5.269 1.00 43.14 N ATOM 0 H ASN A 87 -16.411 12.766 -7.615 1.00 73.12 H new ATOM 0 HA ASN A 87 -19.206 12.335 -7.161 1.00 42.23 H new ATOM 0 HB2 ASN A 87 -17.616 14.646 -8.316 1.00 65.45 H new ATOM 0 HB3 ASN A 87 -19.318 14.715 -7.905 1.00 65.45 H new ATOM 0 HD21 ASN A 87 -17.490 14.118 -4.341 1.00 43.14 H new ATOM 0 HD22 ASN A 87 -17.904 12.820 -5.466 1.00 43.14 H new ATOM 1264 N GLU A 88 -20.172 12.169 -9.551 1.00 44.43 N ATOM 1265 CA GLU A 88 -20.897 12.378 -10.811 1.00 5.55 C ATOM 1266 C GLU A 88 -20.101 11.984 -12.057 1.00 31.34 C ATOM 1267 O GLU A 88 -19.918 12.739 -13.005 1.00 13.13 O ATOM 1268 CB GLU A 88 -21.447 13.820 -10.838 1.00 13.51 C ATOM 1269 CG GLU A 88 -22.693 13.997 -9.953 1.00 5.35 C ATOM 1270 CD GLU A 88 -22.478 13.549 -8.503 1.00 30.13 C ATOM 1271 OE1 GLU A 88 -21.883 14.298 -7.696 1.00 22.41 O ATOM 1272 OE2 GLU A 88 -22.794 12.378 -8.194 1.00 10.35 O ATOM 0 H GLU A 88 -20.747 11.720 -8.838 1.00 44.43 H new ATOM 0 HA GLU A 88 -21.742 11.691 -10.845 1.00 5.55 H new ATOM 0 HB2 GLU A 88 -20.669 14.507 -10.505 1.00 13.51 H new ATOM 0 HB3 GLU A 88 -21.694 14.091 -11.864 1.00 13.51 H new ATOM 0 HG2 GLU A 88 -22.989 15.046 -9.961 1.00 5.35 H new ATOM 0 HG3 GLU A 88 -23.518 13.429 -10.382 1.00 5.35 H new ATOM 1277 N ASP A 89 -19.665 10.728 -12.055 1.00 41.14 N ATOM 1278 CA ASP A 89 -18.887 10.079 -13.123 1.00 25.33 C ATOM 1279 C ASP A 89 -19.696 9.880 -14.418 1.00 23.01 C ATOM 1280 O ASP A 89 -19.173 9.409 -15.433 1.00 33.14 O ATOM 1281 CB ASP A 89 -18.392 8.729 -12.603 1.00 33.14 C ATOM 1282 CG ASP A 89 -17.458 8.008 -13.577 1.00 3.52 C ATOM 1283 OD1 ASP A 89 -16.354 8.520 -13.872 1.00 20.15 O ATOM 1284 OD2 ASP A 89 -17.779 6.871 -13.987 1.00 3.42 O ATOM 0 H ASP A 89 -19.850 10.099 -11.274 1.00 41.14 H new ATOM 0 HA ASP A 89 -18.053 10.732 -13.380 1.00 25.33 H new ATOM 0 HB2 ASP A 89 -17.872 8.881 -11.657 1.00 33.14 H new ATOM 0 HB3 ASP A 89 -19.251 8.091 -12.395 1.00 33.14 H new ATOM 1288 N TRP A 90 -20.977 10.242 -14.394 1.00 15.33 N ATOM 1289 CA TRP A 90 -21.952 10.055 -15.459 1.00 40.13 C ATOM 1290 C TRP A 90 -22.518 11.390 -15.957 1.00 62.40 C ATOM 1291 O TRP A 90 -23.445 11.390 -16.768 1.00 60.13 O ATOM 1292 CB TRP A 90 -23.044 9.101 -14.946 1.00 73.10 C ATOM 1293 CG TRP A 90 -23.740 9.543 -13.689 1.00 31.05 C ATOM 1294 CD1 TRP A 90 -23.307 9.321 -12.425 1.00 21.04 C ATOM 1295 CD2 TRP A 90 -24.984 10.297 -13.559 1.00 33.11 C ATOM 1296 NE1 TRP A 90 -24.174 9.914 -11.531 1.00 1.25 N ATOM 1297 CE2 TRP A 90 -25.224 10.531 -12.174 1.00 44.32 C ATOM 1298 CE3 TRP A 90 -25.932 10.812 -14.469 1.00 32.25 C ATOM 1299 CZ2 TRP A 90 -26.340 11.244 -11.716 1.00 14.33 C ATOM 1300 CZ3 TRP A 90 -27.061 11.524 -14.021 1.00 33.31 C ATOM 1301 CH2 TRP A 90 -27.267 11.741 -12.647 1.00 63.20 C ATOM 0 H TRP A 90 -21.384 10.702 -13.579 1.00 15.33 H new ATOM 0 HA TRP A 90 -21.470 9.609 -16.329 1.00 40.13 H new ATOM 0 HB2 TRP A 90 -23.790 8.973 -15.730 1.00 73.10 H new ATOM 0 HB3 TRP A 90 -22.596 8.123 -14.770 1.00 73.10 H new ATOM 0 HD1 TRP A 90 -22.420 8.766 -12.158 1.00 21.04 H new ATOM 0 HE1 TRP A 90 -24.052 9.898 -10.518 1.00 1.25 H new ATOM 0 HE3 TRP A 90 -25.789 10.657 -15.528 1.00 32.25 H new ATOM 0 HZ2 TRP A 90 -26.486 11.410 -10.659 1.00 14.33 H new ATOM 0 HZ3 TRP A 90 -27.773 11.906 -14.737 1.00 33.31 H new ATOM 0 HH2 TRP A 90 -28.135 12.288 -12.309 1.00 63.20 H new ATOM 1311 N LEU A 91 -21.976 12.511 -15.475 1.00 3.11 N ATOM 1312 CA LEU A 91 -22.267 13.850 -15.972 1.00 51.50 C ATOM 1313 C LEU A 91 -21.258 14.132 -17.071 1.00 72.31 C ATOM 1314 O LEU A 91 -20.081 14.379 -16.728 1.00 24.04 O ATOM 1315 CB LEU A 91 -22.187 14.894 -14.837 1.00 74.42 C ATOM 1316 CG LEU A 91 -23.494 15.112 -14.049 1.00 44.21 C ATOM 1317 CD1 LEU A 91 -24.508 15.921 -14.868 1.00 31.15 C ATOM 1318 CD2 LEU A 91 -24.158 13.812 -13.583 1.00 71.11 C ATOM 0 H LEU A 91 -21.305 12.508 -14.707 1.00 3.11 H new ATOM 0 HA LEU A 91 -23.283 13.913 -16.363 1.00 51.50 H new ATOM 0 HB2 LEU A 91 -21.408 14.588 -14.139 1.00 74.42 H new ATOM 0 HB3 LEU A 91 -21.876 15.848 -15.264 1.00 74.42 H new ATOM 0 HG LEU A 91 -23.198 15.667 -13.159 1.00 44.21 H new ATOM 0 HD11 LEU A 91 -25.419 16.058 -14.286 1.00 31.15 H new ATOM 0 HD12 LEU A 91 -24.084 16.895 -15.113 1.00 31.15 H new ATOM 0 HD13 LEU A 91 -24.743 15.386 -15.788 1.00 31.15 H new ATOM 0 HD21 LEU A 91 -25.071 14.046 -13.036 1.00 71.11 H new ATOM 0 HD22 LEU A 91 -24.401 13.197 -14.449 1.00 71.11 H new ATOM 0 HD23 LEU A 91 -23.474 13.267 -12.932 1.00 71.11 H new TER 1329 LEU A 91