USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 731 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 5 THR OG1 : rot 15:sc= 0.703 USER MOD Set 1.2: A 92 GLN : amide:sc= 0.238 K(o=0.94,f=-1.3) USER MOD Set 2.1: A 79 GLN : amide:sc= -1.81 K(o=-1.8,f=-3.2!) USER MOD Set 2.2: A 86 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 44 SER OG : rot -90:sc= -1.66 USER MOD Set 3.2: A 70 MET CE :methyl -109:sc= -4.85! (180deg=-7.39!) USER MOD Set 4.1: A 51 HIS : no HD1:sc= -4.59! C(o=-7.6!,f=-8.3!) USER MOD Set 4.2: A 54 HIS : no HD1:sc= -3.03 K(o=-7.6,f=-9) USER MOD Set 5.1: A 10 THR OG1 : rot -63:sc= -2.26 USER MOD Set 5.2: A 81 MET CE :methyl -120:sc= -3.53 (180deg=-6.84!) USER MOD Set 6.1: A 6 SER OG : rot 150:sc= -0.721 USER MOD Set 6.2: A 57 MET CE :methyl -179:sc= -6.57 (180deg=-6.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 178:sc= -0.996 (180deg=-1.05) USER MOD Single : A 4 SER OG : rot 121:sc= 0.414 USER MOD Single : A 7 HIS : no HD1:sc= -0.0164 K(o=-0.016,f=-1.5) USER MOD Single : A 12 SER OG : rot -63:sc= 1.06 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -6.18! C(o=-6.2!,f=-5.5!) USER MOD Single : A 21 CYS SG : rot -117:sc= 0.603 USER MOD Single : A 22 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0105) USER MOD Single : A 23 HIS : no HD1:sc= -0.0467 X(o=-0.047,f=0) USER MOD Single : A 26 HIS : no HD1:sc=-0.00547 X(o=-0.0055,f=-0.0084) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -6.03! C(o=-6!,f=-8.4!) USER MOD Single : A 46 CYS SG : rot 180:sc= -2.15 USER MOD Single : A 60 ASN : amide:sc= -7.01! C(o=-7!,f=-7.7!) USER MOD Single : A 61 SER OG : rot -110:sc= -6.28! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -0.545 K(o=-0.54,f=-4.2!) USER MOD Single : A 71 GLN : amide:sc= -3.43! C(o=-3.4!,f=-1.5!) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= -3.48 K(o=-3.5,f=-4.4!) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= -0.184 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.564 15.169 -5.550 1.00 0.00 N ATOM 2 CA MET A 1 6.991 14.081 -4.710 1.00 0.00 C ATOM 3 C MET A 1 5.566 14.403 -4.277 1.00 0.00 C ATOM 4 O MET A 1 5.327 15.022 -3.242 1.00 0.00 O ATOM 5 CB MET A 1 7.902 13.851 -3.503 1.00 0.00 C ATOM 6 CG MET A 1 7.958 15.021 -2.533 1.00 0.00 C ATOM 7 SD MET A 1 9.559 15.852 -2.533 1.00 0.00 S ATOM 8 CE MET A 1 9.430 16.836 -1.042 1.00 0.00 C ATOM 0 H1 MET A 1 8.546 14.934 -5.800 1.00 0.00 H new ATOM 0 H2 MET A 1 7.001 15.270 -6.418 1.00 0.00 H new ATOM 0 H3 MET A 1 7.546 16.063 -5.019 1.00 0.00 H new ATOM 0 HA MET A 1 6.939 13.165 -5.299 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.560 12.965 -2.967 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.911 13.639 -3.858 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.181 15.740 -2.792 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.739 14.664 -1.527 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.347 17.409 -0.904 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.585 17.519 -1.129 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.280 16.180 -0.185 1.00 0.00 H new ATOM 17 N PHE A 2 4.623 13.951 -5.089 1.00 0.00 N ATOM 18 CA PHE A 2 3.200 14.152 -4.822 1.00 0.00 C ATOM 19 C PHE A 2 2.717 13.067 -3.862 1.00 0.00 C ATOM 20 O PHE A 2 3.456 12.119 -3.591 1.00 0.00 O ATOM 21 CB PHE A 2 2.394 14.121 -6.133 1.00 0.00 C ATOM 22 CG PHE A 2 3.178 14.536 -7.348 1.00 0.00 C ATOM 23 CD1 PHE A 2 3.759 15.793 -7.420 1.00 0.00 C ATOM 24 CD2 PHE A 2 3.320 13.674 -8.425 1.00 0.00 C ATOM 25 CE1 PHE A 2 4.470 16.179 -8.539 1.00 0.00 C ATOM 26 CE2 PHE A 2 4.027 14.057 -9.547 1.00 0.00 C ATOM 27 CZ PHE A 2 4.604 15.311 -9.605 1.00 0.00 C ATOM 0 H PHE A 2 4.817 13.437 -5.948 1.00 0.00 H new ATOM 0 HA PHE A 2 3.049 15.130 -4.365 1.00 0.00 H new ATOM 0 HB2 PHE A 2 2.012 13.112 -6.288 1.00 0.00 H new ATOM 0 HB3 PHE A 2 1.529 14.777 -6.031 1.00 0.00 H new ATOM 0 HD1 PHE A 2 3.654 16.478 -6.592 1.00 0.00 H new ATOM 0 HD2 PHE A 2 2.872 12.692 -8.385 1.00 0.00 H new ATOM 0 HE1 PHE A 2 4.921 17.159 -8.581 1.00 0.00 H new ATOM 0 HE2 PHE A 2 4.129 13.376 -10.379 1.00 0.00 H new ATOM 0 HZ PHE A 2 5.158 15.612 -10.482 1.00 0.00 H new ATOM 37 N ARG A 3 1.496 13.184 -3.336 1.00 0.00 N ATOM 38 CA ARG A 3 1.008 12.166 -2.407 1.00 0.00 C ATOM 39 C ARG A 3 -0.505 11.950 -2.502 1.00 0.00 C ATOM 40 O ARG A 3 -1.293 12.882 -2.345 1.00 0.00 O ATOM 41 CB ARG A 3 1.402 12.504 -0.960 1.00 0.00 C ATOM 42 CG ARG A 3 2.176 11.385 -0.286 1.00 0.00 C ATOM 43 CD ARG A 3 3.655 11.712 -0.165 1.00 0.00 C ATOM 44 NE ARG A 3 4.132 11.588 1.210 1.00 0.00 N ATOM 45 CZ ARG A 3 4.180 10.436 1.878 1.00 0.00 C ATOM 46 NH1 ARG A 3 3.789 9.309 1.298 1.00 0.00 N ATOM 47 NH2 ARG A 3 4.625 10.413 3.127 1.00 0.00 N ATOM 0 H ARG A 3 0.847 13.947 -3.529 1.00 0.00 H new ATOM 0 HA ARG A 3 1.487 11.232 -2.701 1.00 0.00 H new ATOM 0 HB2 ARG A 3 2.005 13.412 -0.955 1.00 0.00 H new ATOM 0 HB3 ARG A 3 0.502 12.716 -0.383 1.00 0.00 H new ATOM 0 HG2 ARG A 3 1.762 11.203 0.706 1.00 0.00 H new ATOM 0 HG3 ARG A 3 2.053 10.464 -0.856 1.00 0.00 H new ATOM 0 HD2 ARG A 3 4.228 11.045 -0.809 1.00 0.00 H new ATOM 0 HD3 ARG A 3 3.832 12.727 -0.520 1.00 0.00 H new ATOM 0 HE ARG A 3 4.447 12.433 1.687 1.00 0.00 H new ATOM 0 HH11 ARG A 3 3.450 9.321 0.336 1.00 0.00 H new ATOM 0 HH12 ARG A 3 3.828 8.430 1.814 1.00 0.00 H new ATOM 0 HH21 ARG A 3 4.930 11.277 3.576 1.00 0.00 H new ATOM 0 HH22 ARG A 3 4.662 9.532 3.639 1.00 0.00 H new ATOM 61 N SER A 4 -0.890 10.692 -2.729 1.00 0.00 N ATOM 62 CA SER A 4 -2.290 10.287 -2.820 1.00 0.00 C ATOM 63 C SER A 4 -2.601 9.323 -1.682 1.00 0.00 C ATOM 64 O SER A 4 -1.685 8.770 -1.073 1.00 0.00 O ATOM 65 CB SER A 4 -2.567 9.606 -4.167 1.00 0.00 C ATOM 66 OG SER A 4 -3.550 8.593 -4.041 1.00 0.00 O ATOM 0 H SER A 4 -0.233 9.922 -2.855 1.00 0.00 H new ATOM 0 HA SER A 4 -2.924 11.170 -2.744 1.00 0.00 H new ATOM 0 HB2 SER A 4 -2.899 10.350 -4.891 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.644 9.174 -4.555 1.00 0.00 H new ATOM 0 HG SER A 4 -4.309 8.799 -4.626 1.00 0.00 H new ATOM 72 N THR A 5 -3.880 9.111 -1.392 1.00 0.00 N ATOM 73 CA THR A 5 -4.239 8.195 -0.316 1.00 0.00 C ATOM 74 C THR A 5 -5.533 7.436 -0.602 1.00 0.00 C ATOM 75 O THR A 5 -6.572 8.037 -0.877 1.00 0.00 O ATOM 76 CB THR A 5 -4.359 8.940 1.021 1.00 0.00 C ATOM 77 OG1 THR A 5 -5.523 9.748 1.038 1.00 0.00 O ATOM 78 CG2 THR A 5 -3.178 9.838 1.349 1.00 0.00 C ATOM 0 H THR A 5 -4.667 9.548 -1.872 1.00 0.00 H new ATOM 0 HA THR A 5 -3.433 7.464 -0.251 1.00 0.00 H new ATOM 0 HB THR A 5 -4.399 8.151 1.772 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.118 9.480 0.306 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.347 10.325 2.310 1.00 0.00 H new ATOM 0 HG22 THR A 5 -2.269 9.239 1.400 1.00 0.00 H new ATOM 0 HG23 THR A 5 -3.070 10.595 0.573 1.00 0.00 H new ATOM 86 N SER A 6 -5.459 6.109 -0.514 1.00 0.00 N ATOM 87 CA SER A 6 -6.625 5.257 -0.740 1.00 0.00 C ATOM 88 C SER A 6 -7.119 4.650 0.577 1.00 0.00 C ATOM 89 O SER A 6 -6.333 4.110 1.355 1.00 0.00 O ATOM 90 CB SER A 6 -6.284 4.140 -1.731 1.00 0.00 C ATOM 91 OG SER A 6 -7.441 3.403 -2.086 1.00 0.00 O ATOM 0 H SER A 6 -4.604 5.601 -0.288 1.00 0.00 H new ATOM 0 HA SER A 6 -7.420 5.875 -1.158 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.833 4.569 -2.626 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.544 3.472 -1.290 1.00 0.00 H new ATOM 0 HG SER A 6 -7.342 3.059 -2.998 1.00 0.00 H new ATOM 97 N HIS A 7 -8.426 4.747 0.821 1.00 0.00 N ATOM 98 CA HIS A 7 -9.026 4.209 2.048 1.00 0.00 C ATOM 99 C HIS A 7 -10.016 3.087 1.723 1.00 0.00 C ATOM 100 O HIS A 7 -10.898 3.254 0.882 1.00 0.00 O ATOM 101 CB HIS A 7 -9.738 5.326 2.819 1.00 0.00 C ATOM 102 CG HIS A 7 -9.830 5.090 4.298 1.00 0.00 C ATOM 103 ND1 HIS A 7 -10.004 3.841 4.860 1.00 0.00 N ATOM 104 CD2 HIS A 7 -9.777 5.960 5.335 1.00 0.00 C ATOM 105 CE1 HIS A 7 -10.052 3.954 6.175 1.00 0.00 C ATOM 106 NE2 HIS A 7 -9.916 5.228 6.489 1.00 0.00 N ATOM 0 H HIS A 7 -9.091 5.192 0.188 1.00 0.00 H new ATOM 0 HA HIS A 7 -8.229 3.797 2.667 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -9.213 6.265 2.644 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -10.745 5.445 2.418 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -9.649 7.030 5.267 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -10.181 3.141 6.875 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -9.914 5.608 7.436 1.00 0.00 H new ATOM 115 N VAL A 8 -9.862 1.942 2.390 1.00 0.00 N ATOM 116 CA VAL A 8 -10.742 0.797 2.165 1.00 0.00 C ATOM 117 C VAL A 8 -11.083 0.105 3.480 1.00 0.00 C ATOM 118 O VAL A 8 -10.300 0.156 4.430 1.00 0.00 O ATOM 119 CB VAL A 8 -10.095 -0.237 1.217 1.00 0.00 C ATOM 120 CG1 VAL A 8 -11.155 -1.113 0.565 1.00 0.00 C ATOM 121 CG2 VAL A 8 -9.241 0.451 0.161 1.00 0.00 C ATOM 0 H VAL A 8 -9.137 1.784 3.089 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.651 1.185 1.706 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.445 -0.877 1.813 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.675 -1.833 -0.098 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.712 -1.645 1.336 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.839 -0.489 -0.011 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.797 -0.299 -0.493 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.864 1.124 -0.429 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.450 1.022 0.648 1.00 0.00 H new ATOM 131 N ARG A 9 -12.237 -0.561 3.537 1.00 0.00 N ATOM 132 CA ARG A 9 -12.619 -1.269 4.758 1.00 0.00 C ATOM 133 C ARG A 9 -12.327 -2.763 4.623 1.00 0.00 C ATOM 134 O ARG A 9 -13.031 -3.483 3.915 1.00 0.00 O ATOM 135 CB ARG A 9 -14.099 -1.045 5.088 1.00 0.00 C ATOM 136 CG ARG A 9 -14.339 0.201 5.927 1.00 0.00 C ATOM 137 CD ARG A 9 -13.985 1.465 5.162 1.00 0.00 C ATOM 138 NE ARG A 9 -14.606 1.498 3.839 1.00 0.00 N ATOM 139 CZ ARG A 9 -14.257 2.350 2.877 1.00 0.00 C ATOM 140 NH1 ARG A 9 -13.293 3.238 3.085 1.00 0.00 N ATOM 141 NH2 ARG A 9 -14.874 2.312 1.705 1.00 0.00 N ATOM 0 H ARG A 9 -12.909 -0.625 2.772 1.00 0.00 H new ATOM 0 HA ARG A 9 -12.024 -0.867 5.578 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.665 -0.966 4.160 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -14.482 -1.915 5.621 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.385 0.240 6.231 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.743 0.147 6.838 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -14.305 2.336 5.734 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -12.902 1.533 5.056 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.350 0.829 3.641 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.815 3.270 3.986 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.030 3.888 2.344 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -15.615 1.631 1.541 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -14.608 2.964 0.967 1.00 0.00 H new ATOM 155 N THR A 10 -11.275 -3.217 5.305 1.00 0.00 N ATOM 156 CA THR A 10 -10.869 -4.622 5.267 1.00 0.00 C ATOM 157 C THR A 10 -10.662 -5.185 6.677 1.00 0.00 C ATOM 158 O THR A 10 -10.393 -4.436 7.609 1.00 0.00 O ATOM 159 CB THR A 10 -9.601 -4.777 4.427 1.00 0.00 C ATOM 160 OG1 THR A 10 -9.767 -5.792 3.452 1.00 0.00 O ATOM 161 CG2 THR A 10 -8.376 -5.122 5.239 1.00 0.00 C ATOM 0 H THR A 10 -10.686 -2.628 5.894 1.00 0.00 H new ATOM 0 HA THR A 10 -11.671 -5.196 4.804 1.00 0.00 H new ATOM 0 HB THR A 10 -9.445 -3.802 3.965 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.909 -6.653 3.897 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.515 -5.216 4.577 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.189 -4.333 5.968 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.538 -6.066 5.759 1.00 0.00 H new ATOM 169 N GLU A 11 -10.762 -6.502 6.827 1.00 0.00 N ATOM 170 CA GLU A 11 -10.559 -7.137 8.131 1.00 0.00 C ATOM 171 C GLU A 11 -9.196 -7.839 8.213 1.00 0.00 C ATOM 172 O GLU A 11 -8.710 -8.382 7.222 1.00 0.00 O ATOM 173 CB GLU A 11 -11.681 -8.136 8.405 1.00 0.00 C ATOM 174 CG GLU A 11 -12.512 -7.779 9.624 1.00 0.00 C ATOM 175 CD GLU A 11 -14.002 -7.784 9.339 1.00 0.00 C ATOM 176 OE1 GLU A 11 -14.459 -8.665 8.582 1.00 0.00 O ATOM 177 OE2 GLU A 11 -14.710 -6.906 9.875 1.00 0.00 O ATOM 0 H GLU A 11 -10.981 -7.149 6.070 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.576 -6.355 8.890 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.332 -8.191 7.532 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.250 -9.128 8.544 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.297 -8.486 10.425 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -12.218 -6.793 9.983 1.00 0.00 H new ATOM 184 N SER A 12 -8.585 -7.826 9.407 1.00 0.00 N ATOM 185 CA SER A 12 -7.284 -8.463 9.620 1.00 0.00 C ATOM 186 C SER A 12 -6.217 -7.867 8.706 1.00 0.00 C ATOM 187 O SER A 12 -5.232 -8.521 8.364 1.00 0.00 O ATOM 188 CB SER A 12 -7.394 -9.970 9.404 1.00 0.00 C ATOM 189 OG SER A 12 -6.114 -10.577 9.357 1.00 0.00 O ATOM 0 H SER A 12 -8.974 -7.380 10.238 1.00 0.00 H new ATOM 0 HA SER A 12 -6.980 -8.275 10.650 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.980 -10.413 10.209 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.928 -10.169 8.475 1.00 0.00 H new ATOM 0 HG SER A 12 -5.615 -10.228 8.589 1.00 0.00 H new ATOM 195 N ALA A 13 -6.430 -6.619 8.322 1.00 0.00 N ATOM 196 CA ALA A 13 -5.501 -5.899 7.444 1.00 0.00 C ATOM 197 C ALA A 13 -4.054 -5.952 7.930 1.00 0.00 C ATOM 198 O ALA A 13 -3.144 -6.278 7.168 1.00 0.00 O ATOM 199 CB ALA A 13 -5.923 -4.449 7.328 1.00 0.00 C ATOM 0 H ALA A 13 -7.244 -6.073 8.604 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.542 -6.397 6.475 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.229 -3.919 6.675 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.928 -4.395 6.910 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.915 -3.988 8.316 1.00 0.00 H new ATOM 205 N ALA A 14 -3.845 -5.575 9.184 1.00 0.00 N ATOM 206 CA ALA A 14 -2.499 -5.515 9.771 1.00 0.00 C ATOM 207 C ALA A 14 -1.604 -6.702 9.397 1.00 0.00 C ATOM 208 O ALA A 14 -0.380 -6.570 9.389 1.00 0.00 O ATOM 209 CB ALA A 14 -2.608 -5.374 11.277 1.00 0.00 C ATOM 0 H ALA A 14 -4.591 -5.303 9.824 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.009 -4.639 9.347 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.609 -5.330 11.712 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.150 -4.460 11.519 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.143 -6.231 11.685 1.00 0.00 H new ATOM 215 N ARG A 15 -2.192 -7.852 9.089 1.00 0.00 N ATOM 216 CA ARG A 15 -1.399 -9.029 8.724 1.00 0.00 C ATOM 217 C ARG A 15 -0.957 -8.971 7.272 1.00 0.00 C ATOM 218 O ARG A 15 0.176 -9.328 6.947 1.00 0.00 O ATOM 219 CB ARG A 15 -2.197 -10.313 8.973 1.00 0.00 C ATOM 220 CG ARG A 15 -1.354 -11.578 9.143 1.00 0.00 C ATOM 221 CD ARG A 15 0.038 -11.471 8.522 1.00 0.00 C ATOM 222 NE ARG A 15 0.898 -12.580 8.929 1.00 0.00 N ATOM 223 CZ ARG A 15 2.226 -12.502 9.012 1.00 0.00 C ATOM 224 NH1 ARG A 15 2.855 -11.377 8.696 1.00 0.00 N ATOM 225 NH2 ARG A 15 2.926 -13.557 9.406 1.00 0.00 N ATOM 0 H ARG A 15 -3.201 -7.998 9.083 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.509 -9.033 9.353 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.805 -10.177 9.868 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.884 -10.462 8.140 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.253 -11.798 10.206 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.881 -12.419 8.692 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.048 -11.457 7.436 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.497 -10.527 8.817 1.00 0.00 H new ATOM 0 HE ARG A 15 0.455 -13.468 9.164 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.322 -10.564 8.387 1.00 0.00 H new ATOM 0 HH12 ARG A 15 3.872 -11.325 8.762 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.448 -14.426 9.645 1.00 0.00 H new ATOM 0 HH22 ARG A 15 3.942 -13.500 9.470 1.00 0.00 H new ATOM 239 N TYR A 16 -1.837 -8.514 6.397 1.00 0.00 N ATOM 240 CA TYR A 16 -1.490 -8.421 4.988 1.00 0.00 C ATOM 241 C TYR A 16 -0.385 -7.389 4.791 1.00 0.00 C ATOM 242 O TYR A 16 0.369 -7.474 3.830 1.00 0.00 O ATOM 243 CB TYR A 16 -2.716 -8.094 4.122 1.00 0.00 C ATOM 244 CG TYR A 16 -3.881 -9.076 4.246 1.00 0.00 C ATOM 245 CD1 TYR A 16 -3.711 -10.399 4.677 1.00 0.00 C ATOM 246 CD2 TYR A 16 -5.171 -8.664 3.933 1.00 0.00 C ATOM 247 CE1 TYR A 16 -4.788 -11.258 4.786 1.00 0.00 C ATOM 248 CE2 TYR A 16 -6.249 -9.521 4.045 1.00 0.00 C ATOM 249 CZ TYR A 16 -6.053 -10.815 4.471 1.00 0.00 C ATOM 250 OH TYR A 16 -7.125 -11.668 4.582 1.00 0.00 O ATOM 0 H TYR A 16 -2.781 -8.206 6.631 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.122 -9.394 4.663 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.072 -7.098 4.385 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.404 -8.055 3.078 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.722 -10.753 4.928 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.334 -7.651 3.595 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.638 -12.275 5.118 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.243 -9.176 3.799 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.945 -11.198 4.323 1.00 0.00 H new ATOM 260 N VAL A 17 -0.265 -6.440 5.726 1.00 0.00 N ATOM 261 CA VAL A 17 0.792 -5.432 5.647 1.00 0.00 C ATOM 262 C VAL A 17 2.111 -6.033 6.117 1.00 0.00 C ATOM 263 O VAL A 17 3.145 -5.866 5.469 1.00 0.00 O ATOM 264 CB VAL A 17 0.467 -4.157 6.474 1.00 0.00 C ATOM 265 CG1 VAL A 17 1.728 -3.399 6.890 1.00 0.00 C ATOM 266 CG2 VAL A 17 -0.419 -3.231 5.678 1.00 0.00 C ATOM 0 H VAL A 17 -0.879 -6.351 6.535 1.00 0.00 H new ATOM 0 HA VAL A 17 0.869 -5.125 4.604 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.045 -4.489 7.377 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.449 -2.516 7.465 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.357 -4.047 7.501 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.279 -3.093 6.000 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.639 -2.342 6.268 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.091 -2.940 4.760 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.349 -3.742 5.430 1.00 0.00 H new ATOM 276 N ASN A 18 2.072 -6.732 7.247 1.00 0.00 N ATOM 277 CA ASN A 18 3.273 -7.348 7.790 1.00 0.00 C ATOM 278 C ASN A 18 3.756 -8.499 6.910 1.00 0.00 C ATOM 279 O ASN A 18 4.946 -8.812 6.887 1.00 0.00 O ATOM 280 CB ASN A 18 3.020 -7.852 9.214 1.00 0.00 C ATOM 281 CG ASN A 18 2.299 -6.831 10.076 1.00 0.00 C ATOM 282 OD1 ASN A 18 1.465 -7.187 10.909 1.00 0.00 O ATOM 283 ND2 ASN A 18 2.620 -5.556 9.886 1.00 0.00 N ATOM 0 H ASN A 18 1.228 -6.884 7.799 1.00 0.00 H new ATOM 0 HA ASN A 18 4.052 -6.586 7.813 1.00 0.00 H new ATOM 0 HB2 ASN A 18 2.430 -8.768 9.172 1.00 0.00 H new ATOM 0 HB3 ASN A 18 3.972 -8.107 9.679 1.00 0.00 H new ATOM 0 HD21 ASN A 18 2.170 -4.829 10.441 1.00 0.00 H new ATOM 0 HD22 ASN A 18 3.317 -5.305 9.185 1.00 0.00 H new ATOM 290 N ARG A 19 2.832 -9.135 6.193 1.00 0.00 N ATOM 291 CA ARG A 19 3.177 -10.255 5.329 1.00 0.00 C ATOM 292 C ARG A 19 3.839 -9.795 4.028 1.00 0.00 C ATOM 293 O ARG A 19 4.485 -10.587 3.343 1.00 0.00 O ATOM 294 CB ARG A 19 1.926 -11.076 5.017 1.00 0.00 C ATOM 295 CG ARG A 19 2.190 -12.567 4.934 1.00 0.00 C ATOM 296 CD ARG A 19 1.369 -13.346 5.947 1.00 0.00 C ATOM 297 NE ARG A 19 0.876 -14.608 5.398 1.00 0.00 N ATOM 298 CZ ARG A 19 -0.191 -14.707 4.609 1.00 0.00 C ATOM 299 NH1 ARG A 19 -0.878 -13.623 4.270 1.00 0.00 N ATOM 300 NH2 ARG A 19 -0.573 -15.893 4.155 1.00 0.00 N ATOM 0 H ARG A 19 1.841 -8.892 6.195 1.00 0.00 H new ATOM 0 HA ARG A 19 3.899 -10.873 5.863 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.177 -10.889 5.786 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.504 -10.736 4.071 1.00 0.00 H new ATOM 0 HG2 ARG A 19 1.958 -12.921 3.930 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.250 -12.758 5.102 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.977 -13.547 6.829 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.525 -12.738 6.274 1.00 0.00 H new ATOM 0 HE ARG A 19 1.380 -15.463 5.634 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.589 -12.708 4.615 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.695 -13.706 3.665 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.049 -16.730 4.411 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.391 -15.968 3.550 1.00 0.00 H new ATOM 314 N LEU A 20 3.669 -8.522 3.684 1.00 0.00 N ATOM 315 CA LEU A 20 4.246 -7.981 2.454 1.00 0.00 C ATOM 316 C LEU A 20 5.758 -7.834 2.550 1.00 0.00 C ATOM 317 O LEU A 20 6.482 -8.219 1.633 1.00 0.00 O ATOM 318 CB LEU A 20 3.625 -6.626 2.123 1.00 0.00 C ATOM 319 CG LEU A 20 2.112 -6.634 1.894 1.00 0.00 C ATOM 320 CD1 LEU A 20 1.674 -5.324 1.256 1.00 0.00 C ATOM 321 CD2 LEU A 20 1.679 -7.816 1.026 1.00 0.00 C ATOM 0 H LEU A 20 3.139 -7.847 4.236 1.00 0.00 H new ATOM 0 HA LEU A 20 4.024 -8.692 1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.848 -5.935 2.936 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.108 -6.233 1.229 1.00 0.00 H new ATOM 0 HG LEU A 20 1.628 -6.742 2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.596 -5.339 1.097 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.932 -4.495 1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.180 -5.198 0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.598 -7.788 0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.173 -7.755 0.056 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.957 -8.749 1.517 1.00 0.00 H new ATOM 333 N CYS A 21 6.240 -7.271 3.654 1.00 0.00 N ATOM 334 CA CYS A 21 7.675 -7.081 3.832 1.00 0.00 C ATOM 335 C CYS A 21 8.404 -8.410 3.679 1.00 0.00 C ATOM 336 O CYS A 21 9.528 -8.464 3.184 1.00 0.00 O ATOM 337 CB CYS A 21 7.981 -6.450 5.196 1.00 0.00 C ATOM 338 SG CYS A 21 6.925 -5.041 5.608 1.00 0.00 S ATOM 0 H CYS A 21 5.666 -6.942 4.430 1.00 0.00 H new ATOM 0 HA CYS A 21 8.029 -6.397 3.061 1.00 0.00 H new ATOM 0 HB2 CYS A 21 7.873 -7.211 5.969 1.00 0.00 H new ATOM 0 HB3 CYS A 21 9.022 -6.127 5.210 1.00 0.00 H new ATOM 0 HG CYS A 21 7.654 -3.970 5.719 1.00 0.00 H new ATOM 344 N LYS A 22 7.742 -9.483 4.087 1.00 0.00 N ATOM 345 CA LYS A 22 8.310 -10.816 3.973 1.00 0.00 C ATOM 346 C LYS A 22 8.058 -11.392 2.577 1.00 0.00 C ATOM 347 O LYS A 22 8.739 -12.323 2.146 1.00 0.00 O ATOM 348 CB LYS A 22 7.712 -11.734 5.039 1.00 0.00 C ATOM 349 CG LYS A 22 7.853 -11.193 6.456 1.00 0.00 C ATOM 350 CD LYS A 22 6.537 -11.266 7.212 1.00 0.00 C ATOM 351 CE LYS A 22 6.178 -12.699 7.565 1.00 0.00 C ATOM 352 NZ LYS A 22 6.982 -13.209 8.709 1.00 0.00 N ATOM 0 H LYS A 22 6.810 -9.455 4.500 1.00 0.00 H new ATOM 0 HA LYS A 22 9.387 -10.748 4.128 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.655 -11.890 4.822 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.196 -12.709 4.981 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.613 -11.763 6.990 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.196 -10.159 6.420 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.606 -10.672 8.123 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.743 -10.829 6.606 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.118 -12.757 7.812 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.338 -13.337 6.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.648 -14.158 8.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.984 -13.258 8.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.876 -12.568 9.521 1.00 0.00 H new ATOM 366 N HIS A 23 7.060 -10.840 1.884 1.00 0.00 N ATOM 367 CA HIS A 23 6.695 -11.296 0.548 1.00 0.00 C ATOM 368 C HIS A 23 7.541 -10.643 -0.542 1.00 0.00 C ATOM 369 O HIS A 23 8.225 -11.335 -1.298 1.00 0.00 O ATOM 370 CB HIS A 23 5.214 -11.018 0.285 1.00 0.00 C ATOM 371 CG HIS A 23 4.613 -11.914 -0.754 1.00 0.00 C ATOM 372 ND1 HIS A 23 3.518 -12.717 -0.514 1.00 0.00 N ATOM 373 CD2 HIS A 23 4.962 -12.131 -2.045 1.00 0.00 C ATOM 374 CE1 HIS A 23 3.219 -13.390 -1.611 1.00 0.00 C ATOM 375 NE2 HIS A 23 4.078 -13.052 -2.554 1.00 0.00 N ATOM 0 H HIS A 23 6.488 -10.071 2.232 1.00 0.00 H new ATOM 0 HA HIS A 23 6.885 -12.369 0.513 1.00 0.00 H new ATOM 0 HB2 HIS A 23 4.660 -11.133 1.217 1.00 0.00 H new ATOM 0 HB3 HIS A 23 5.097 -9.981 -0.030 1.00 0.00 H new ATOM 0 HD2 HIS A 23 5.781 -11.667 -2.575 1.00 0.00 H new ATOM 0 HE1 HIS A 23 2.409 -14.097 -1.718 1.00 0.00 H new ATOM 0 HE2 HIS A 23 4.085 -13.416 -3.507 1.00 0.00 H new ATOM 384 N TRP A 24 7.478 -9.314 -0.645 1.00 0.00 N ATOM 385 CA TRP A 24 8.228 -8.606 -1.674 1.00 0.00 C ATOM 386 C TRP A 24 9.635 -8.239 -1.198 1.00 0.00 C ATOM 387 O TRP A 24 10.472 -7.827 -2.001 1.00 0.00 O ATOM 388 CB TRP A 24 7.472 -7.351 -2.104 1.00 0.00 C ATOM 389 CG TRP A 24 6.156 -7.647 -2.756 1.00 0.00 C ATOM 390 CD1 TRP A 24 4.915 -7.484 -2.208 1.00 0.00 C ATOM 391 CD2 TRP A 24 5.948 -8.158 -4.077 1.00 0.00 C ATOM 392 NE1 TRP A 24 3.949 -7.863 -3.109 1.00 0.00 N ATOM 393 CE2 TRP A 24 4.557 -8.280 -4.264 1.00 0.00 C ATOM 394 CE3 TRP A 24 6.801 -8.524 -5.122 1.00 0.00 C ATOM 395 CZ2 TRP A 24 4.004 -8.753 -5.451 1.00 0.00 C ATOM 396 CZ3 TRP A 24 6.250 -8.993 -6.300 1.00 0.00 C ATOM 397 CH2 TRP A 24 4.862 -9.102 -6.456 1.00 0.00 C ATOM 0 H TRP A 24 6.921 -8.716 -0.035 1.00 0.00 H new ATOM 0 HA TRP A 24 8.333 -9.275 -2.528 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.304 -6.720 -1.232 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.092 -6.780 -2.795 1.00 0.00 H new ATOM 0 HD1 TRP A 24 4.722 -7.112 -1.213 1.00 0.00 H new ATOM 0 HE1 TRP A 24 2.943 -7.838 -2.945 1.00 0.00 H new ATOM 0 HE3 TRP A 24 7.872 -8.442 -5.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 2.935 -8.841 -5.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 6.900 -9.280 -7.113 1.00 0.00 H new ATOM 0 HH2 TRP A 24 4.462 -9.469 -7.389 1.00 0.00 H new ATOM 408 N GLY A 25 9.900 -8.387 0.104 1.00 0.00 N ATOM 409 CA GLY A 25 11.216 -8.062 0.625 1.00 0.00 C ATOM 410 C GLY A 25 12.279 -9.041 0.168 1.00 0.00 C ATOM 411 O GLY A 25 12.886 -9.733 0.985 1.00 0.00 O ATOM 0 H GLY A 25 9.232 -8.723 0.797 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.491 -7.057 0.306 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.180 -8.052 1.714 1.00 0.00 H new ATOM 415 N HIS A 26 12.507 -9.100 -1.139 1.00 0.00 N ATOM 416 CA HIS A 26 13.504 -10.003 -1.699 1.00 0.00 C ATOM 417 C HIS A 26 14.692 -9.222 -2.245 1.00 0.00 C ATOM 418 O HIS A 26 15.821 -9.711 -2.247 1.00 0.00 O ATOM 419 CB HIS A 26 12.885 -10.856 -2.807 1.00 0.00 C ATOM 420 CG HIS A 26 13.624 -12.133 -3.062 1.00 0.00 C ATOM 421 ND1 HIS A 26 13.075 -13.378 -2.839 1.00 0.00 N ATOM 422 CD2 HIS A 26 14.878 -12.355 -3.526 1.00 0.00 C ATOM 423 CE1 HIS A 26 13.957 -14.310 -3.152 1.00 0.00 C ATOM 424 NE2 HIS A 26 15.059 -13.715 -3.572 1.00 0.00 N ATOM 0 H HIS A 26 12.015 -8.533 -1.830 1.00 0.00 H new ATOM 0 HA HIS A 26 13.856 -10.658 -0.902 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.854 -11.089 -2.542 1.00 0.00 H new ATOM 0 HB3 HIS A 26 12.853 -10.274 -3.728 1.00 0.00 H new ATOM 0 HD2 HIS A 26 15.600 -11.603 -3.807 1.00 0.00 H new ATOM 0 HE1 HIS A 26 13.803 -15.376 -3.077 1.00 0.00 H new ATOM 0 HE2 HIS A 26 15.908 -14.189 -3.881 1.00 0.00 H new ATOM 433 N LYS A 27 14.430 -8.004 -2.711 1.00 0.00 N ATOM 434 CA LYS A 27 15.482 -7.159 -3.262 1.00 0.00 C ATOM 435 C LYS A 27 15.141 -5.683 -3.043 1.00 0.00 C ATOM 436 O LYS A 27 15.632 -4.808 -3.749 1.00 0.00 O ATOM 437 CB LYS A 27 15.653 -7.474 -4.756 1.00 0.00 C ATOM 438 CG LYS A 27 16.569 -6.520 -5.513 1.00 0.00 C ATOM 439 CD LYS A 27 15.763 -5.557 -6.374 1.00 0.00 C ATOM 440 CE LYS A 27 16.261 -4.123 -6.261 1.00 0.00 C ATOM 441 NZ LYS A 27 17.145 -3.751 -7.400 1.00 0.00 N ATOM 0 H LYS A 27 13.501 -7.582 -2.718 1.00 0.00 H new ATOM 0 HA LYS A 27 16.424 -7.362 -2.752 1.00 0.00 H new ATOM 0 HB2 LYS A 27 16.044 -8.486 -4.856 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.671 -7.464 -5.229 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.179 -5.958 -4.806 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.254 -7.090 -6.142 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.813 -5.875 -7.415 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.715 -5.599 -6.078 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.409 -3.444 -6.226 1.00 0.00 H new ATOM 0 HE3 LYS A 27 16.805 -4.000 -5.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.463 -2.767 -7.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 17.971 -4.382 -7.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.619 -3.843 -8.292 1.00 0.00 H new ATOM 455 N PHE A 28 14.298 -5.411 -2.051 1.00 0.00 N ATOM 456 CA PHE A 28 13.907 -4.045 -1.748 1.00 0.00 C ATOM 457 C PHE A 28 13.864 -3.815 -0.250 1.00 0.00 C ATOM 458 O PHE A 28 13.798 -4.762 0.536 1.00 0.00 O ATOM 459 CB PHE A 28 12.549 -3.726 -2.374 1.00 0.00 C ATOM 460 CG PHE A 28 12.631 -3.487 -3.852 1.00 0.00 C ATOM 461 CD1 PHE A 28 12.876 -2.217 -4.349 1.00 0.00 C ATOM 462 CD2 PHE A 28 12.475 -4.535 -4.744 1.00 0.00 C ATOM 463 CE1 PHE A 28 12.962 -1.999 -5.712 1.00 0.00 C ATOM 464 CE2 PHE A 28 12.563 -4.324 -6.105 1.00 0.00 C ATOM 465 CZ PHE A 28 12.806 -3.055 -6.590 1.00 0.00 C ATOM 0 H PHE A 28 13.876 -6.117 -1.448 1.00 0.00 H new ATOM 0 HA PHE A 28 14.654 -3.376 -2.175 1.00 0.00 H new ATOM 0 HB2 PHE A 28 11.863 -4.551 -2.182 1.00 0.00 H new ATOM 0 HB3 PHE A 28 12.130 -2.843 -1.891 1.00 0.00 H new ATOM 0 HD1 PHE A 28 13.001 -1.390 -3.666 1.00 0.00 H new ATOM 0 HD2 PHE A 28 12.282 -5.530 -4.370 1.00 0.00 H new ATOM 0 HE1 PHE A 28 13.151 -1.005 -6.090 1.00 0.00 H new ATOM 0 HE2 PHE A 28 12.442 -5.151 -6.789 1.00 0.00 H new ATOM 0 HZ PHE A 28 12.874 -2.887 -7.655 1.00 0.00 H new ATOM 475 N GLU A 29 13.907 -2.552 0.140 1.00 0.00 N ATOM 476 CA GLU A 29 13.877 -2.198 1.553 1.00 0.00 C ATOM 477 C GLU A 29 12.446 -2.185 2.073 1.00 0.00 C ATOM 478 O GLU A 29 11.679 -1.265 1.788 1.00 0.00 O ATOM 479 CB GLU A 29 14.532 -0.836 1.770 1.00 0.00 C ATOM 480 CG GLU A 29 14.071 0.217 0.783 1.00 0.00 C ATOM 481 CD GLU A 29 15.104 0.506 -0.289 1.00 0.00 C ATOM 482 OE1 GLU A 29 15.607 -0.457 -0.904 1.00 0.00 O ATOM 483 OE2 GLU A 29 15.412 1.696 -0.513 1.00 0.00 O ATOM 0 H GLU A 29 13.963 -1.757 -0.497 1.00 0.00 H new ATOM 0 HA GLU A 29 14.437 -2.950 2.109 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.316 -0.494 2.782 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.614 -0.945 1.695 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.146 -0.114 0.311 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.843 1.138 1.320 1.00 0.00 H new ATOM 490 N VAL A 30 12.088 -3.218 2.830 1.00 0.00 N ATOM 491 CA VAL A 30 10.742 -3.329 3.380 1.00 0.00 C ATOM 492 C VAL A 30 10.751 -3.299 4.906 1.00 0.00 C ATOM 493 O VAL A 30 11.265 -4.213 5.551 1.00 0.00 O ATOM 494 CB VAL A 30 10.036 -4.626 2.912 1.00 0.00 C ATOM 495 CG1 VAL A 30 9.150 -4.371 1.704 1.00 0.00 C ATOM 496 CG2 VAL A 30 11.046 -5.721 2.606 1.00 0.00 C ATOM 0 H VAL A 30 12.710 -3.988 3.076 1.00 0.00 H new ATOM 0 HA VAL A 30 10.191 -2.466 3.007 1.00 0.00 H new ATOM 0 HB VAL A 30 9.402 -4.963 3.732 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.670 -5.302 1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.387 -3.636 1.961 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.757 -3.992 0.881 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.521 -6.619 2.280 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.718 -5.386 1.816 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.624 -5.944 3.503 1.00 0.00 H new ATOM 506 N GLU A 31 10.160 -2.251 5.479 1.00 0.00 N ATOM 507 CA GLU A 31 10.081 -2.117 6.927 1.00 0.00 C ATOM 508 C GLU A 31 8.760 -2.688 7.431 1.00 0.00 C ATOM 509 O GLU A 31 7.721 -2.523 6.793 1.00 0.00 O ATOM 510 CB GLU A 31 10.215 -0.648 7.335 1.00 0.00 C ATOM 511 CG GLU A 31 11.548 -0.318 7.988 1.00 0.00 C ATOM 512 CD GLU A 31 11.977 1.116 7.744 1.00 0.00 C ATOM 513 OE1 GLU A 31 11.207 2.035 8.095 1.00 0.00 O ATOM 514 OE2 GLU A 31 13.083 1.320 7.202 1.00 0.00 O ATOM 0 H GLU A 31 9.730 -1.485 4.960 1.00 0.00 H new ATOM 0 HA GLU A 31 10.902 -2.676 7.377 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.087 -0.021 6.453 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.409 -0.396 8.025 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.476 -0.494 9.061 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.313 -0.993 7.604 1.00 0.00 H new ATOM 521 N LEU A 32 8.804 -3.364 8.572 1.00 0.00 N ATOM 522 CA LEU A 32 7.597 -3.964 9.145 1.00 0.00 C ATOM 523 C LEU A 32 7.338 -3.449 10.553 1.00 0.00 C ATOM 524 O LEU A 32 8.033 -3.813 11.502 1.00 0.00 O ATOM 525 CB LEU A 32 7.708 -5.501 9.153 1.00 0.00 C ATOM 526 CG LEU A 32 6.399 -6.290 9.357 1.00 0.00 C ATOM 527 CD1 LEU A 32 6.712 -7.716 9.791 1.00 0.00 C ATOM 528 CD2 LEU A 32 5.492 -5.622 10.384 1.00 0.00 C ATOM 0 H LEU A 32 9.653 -3.512 9.118 1.00 0.00 H new ATOM 0 HA LEU A 32 6.754 -3.674 8.518 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.150 -5.815 8.208 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.404 -5.788 9.941 1.00 0.00 H new ATOM 0 HG LEU A 32 5.869 -6.306 8.404 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.782 -8.266 9.933 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.310 -8.207 9.023 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.269 -7.697 10.728 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.580 -6.208 10.500 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.009 -5.562 11.342 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.237 -4.618 10.046 1.00 0.00 H new ATOM 540 N THR A 33 6.306 -2.624 10.681 1.00 0.00 N ATOM 541 CA THR A 33 5.911 -2.078 11.973 1.00 0.00 C ATOM 542 C THR A 33 4.442 -2.394 12.205 1.00 0.00 C ATOM 543 O THR A 33 3.732 -2.762 11.269 1.00 0.00 O ATOM 544 CB THR A 33 6.141 -0.566 12.009 1.00 0.00 C ATOM 545 OG1 THR A 33 6.014 -0.009 10.713 1.00 0.00 O ATOM 546 CG2 THR A 33 7.503 -0.180 12.543 1.00 0.00 C ATOM 0 H THR A 33 5.725 -2.317 9.901 1.00 0.00 H new ATOM 0 HA THR A 33 6.515 -2.528 12.761 1.00 0.00 H new ATOM 0 HB THR A 33 5.380 -0.174 12.684 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.163 0.959 10.757 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.600 0.906 12.541 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.614 -0.553 13.561 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.278 -0.614 11.911 1.00 0.00 H new ATOM 554 N PRO A 34 3.951 -2.255 13.439 1.00 0.00 N ATOM 555 CA PRO A 34 2.552 -2.533 13.745 1.00 0.00 C ATOM 556 C PRO A 34 1.644 -1.393 13.323 1.00 0.00 C ATOM 557 O PRO A 34 0.800 -0.934 14.093 1.00 0.00 O ATOM 558 CB PRO A 34 2.555 -2.693 15.255 1.00 0.00 C ATOM 559 CG PRO A 34 3.680 -1.835 15.729 1.00 0.00 C ATOM 560 CD PRO A 34 4.706 -1.818 14.624 1.00 0.00 C ATOM 0 HA PRO A 34 2.173 -3.407 13.216 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.606 -2.376 15.688 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.704 -3.734 15.542 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.331 -0.826 15.949 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.109 -2.232 16.649 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.128 -0.823 14.485 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.537 -2.490 14.839 1.00 0.00 H new ATOM 568 N GLU A 35 1.833 -0.937 12.094 1.00 0.00 N ATOM 569 CA GLU A 35 1.048 0.161 11.554 1.00 0.00 C ATOM 570 C GLU A 35 0.982 0.111 10.025 1.00 0.00 C ATOM 571 O GLU A 35 -0.069 0.375 9.442 1.00 0.00 O ATOM 572 CB GLU A 35 1.633 1.506 12.006 1.00 0.00 C ATOM 573 CG GLU A 35 1.596 1.722 13.511 1.00 0.00 C ATOM 574 CD GLU A 35 0.188 1.906 14.043 1.00 0.00 C ATOM 575 OE1 GLU A 35 -0.666 1.032 13.786 1.00 0.00 O ATOM 576 OE2 GLU A 35 -0.061 2.927 14.719 1.00 0.00 O ATOM 0 H GLU A 35 2.528 -1.314 11.449 1.00 0.00 H new ATOM 0 HA GLU A 35 0.033 0.059 11.938 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.666 1.574 11.665 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.083 2.312 11.520 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.059 0.869 14.007 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.192 2.599 13.762 1.00 0.00 H new ATOM 583 N ARG A 36 2.101 -0.218 9.370 1.00 0.00 N ATOM 584 CA ARG A 36 2.125 -0.278 7.917 1.00 0.00 C ATOM 585 C ARG A 36 3.410 -0.893 7.380 1.00 0.00 C ATOM 586 O ARG A 36 4.387 -1.074 8.106 1.00 0.00 O ATOM 587 CB ARG A 36 1.962 1.123 7.327 1.00 0.00 C ATOM 588 CG ARG A 36 3.061 2.085 7.751 1.00 0.00 C ATOM 589 CD ARG A 36 2.511 3.472 8.031 1.00 0.00 C ATOM 590 NE ARG A 36 2.242 3.679 9.453 1.00 0.00 N ATOM 591 CZ ARG A 36 1.979 4.867 9.992 1.00 0.00 C ATOM 592 NH1 ARG A 36 1.944 5.955 9.233 1.00 0.00 N ATOM 593 NH2 ARG A 36 1.748 4.966 11.294 1.00 0.00 N ATOM 0 H ARG A 36 2.987 -0.443 9.822 1.00 0.00 H new ATOM 0 HA ARG A 36 1.294 -0.916 7.617 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.950 1.053 6.239 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.997 1.528 7.631 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.556 1.702 8.643 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.816 2.144 6.967 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.223 4.221 7.684 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.592 3.619 7.463 1.00 0.00 H new ATOM 0 HE ARG A 36 2.257 2.865 10.068 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.119 5.883 8.231 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.742 6.863 9.652 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.772 4.132 11.881 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.546 5.876 11.708 1.00 0.00 H new ATOM 607 N GLY A 37 3.393 -1.176 6.083 1.00 0.00 N ATOM 608 CA GLY A 37 4.551 -1.732 5.412 1.00 0.00 C ATOM 609 C GLY A 37 5.213 -0.677 4.527 1.00 0.00 C ATOM 610 O GLY A 37 4.579 -0.165 3.605 1.00 0.00 O ATOM 0 H GLY A 37 2.586 -1.027 5.478 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.266 -2.097 6.149 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.252 -2.588 4.807 1.00 0.00 H new ATOM 614 N PHE A 38 6.469 -0.330 4.805 1.00 0.00 N ATOM 615 CA PHE A 38 7.173 0.686 4.028 1.00 0.00 C ATOM 616 C PHE A 38 8.091 0.032 3.007 1.00 0.00 C ATOM 617 O PHE A 38 8.952 -0.771 3.360 1.00 0.00 O ATOM 618 CB PHE A 38 7.974 1.572 4.986 1.00 0.00 C ATOM 619 CG PHE A 38 8.782 2.662 4.332 1.00 0.00 C ATOM 620 CD1 PHE A 38 8.164 3.771 3.769 1.00 0.00 C ATOM 621 CD2 PHE A 38 10.170 2.595 4.317 1.00 0.00 C ATOM 622 CE1 PHE A 38 8.915 4.784 3.205 1.00 0.00 C ATOM 623 CE2 PHE A 38 10.922 3.609 3.758 1.00 0.00 C ATOM 624 CZ PHE A 38 10.294 4.706 3.203 1.00 0.00 C ATOM 0 H PHE A 38 7.018 -0.738 5.562 1.00 0.00 H new ATOM 0 HA PHE A 38 6.453 1.297 3.484 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.283 2.030 5.694 1.00 0.00 H new ATOM 0 HB3 PHE A 38 8.648 0.939 5.562 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.086 3.842 3.772 1.00 0.00 H new ATOM 0 HD2 PHE A 38 10.667 1.739 4.748 1.00 0.00 H new ATOM 0 HE1 PHE A 38 8.423 5.639 2.765 1.00 0.00 H new ATOM 0 HE2 PHE A 38 12.000 3.544 3.755 1.00 0.00 H new ATOM 0 HZ PHE A 38 10.880 5.502 2.768 1.00 0.00 H new ATOM 634 N ILE A 39 7.905 0.385 1.741 1.00 0.00 N ATOM 635 CA ILE A 39 8.728 -0.172 0.668 1.00 0.00 C ATOM 636 C ILE A 39 9.131 0.933 -0.303 1.00 0.00 C ATOM 637 O ILE A 39 8.318 1.369 -1.119 1.00 0.00 O ATOM 638 CB ILE A 39 7.991 -1.284 -0.128 1.00 0.00 C ATOM 639 CG1 ILE A 39 7.054 -2.096 0.789 1.00 0.00 C ATOM 640 CG2 ILE A 39 9.006 -2.191 -0.826 1.00 0.00 C ATOM 641 CD1 ILE A 39 6.616 -3.434 0.216 1.00 0.00 C ATOM 0 H ILE A 39 7.197 1.050 1.431 1.00 0.00 H new ATOM 0 HA ILE A 39 9.606 -0.614 1.140 1.00 0.00 H new ATOM 0 HB ILE A 39 7.370 -0.812 -0.889 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.558 -2.270 1.740 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.168 -1.499 1.002 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.479 -2.967 -1.381 1.00 0.00 H new ATOM 0 HG22 ILE A 39 9.610 -1.599 -1.514 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.653 -2.654 -0.081 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.960 -3.937 0.927 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.081 -3.271 -0.720 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.493 -4.054 0.030 1.00 0.00 H new ATOM 653 N ASP A 40 10.378 1.390 -0.220 1.00 0.00 N ATOM 654 CA ASP A 40 10.845 2.445 -1.105 1.00 0.00 C ATOM 655 C ASP A 40 11.714 1.880 -2.217 1.00 0.00 C ATOM 656 O ASP A 40 12.752 1.266 -1.970 1.00 0.00 O ATOM 657 CB ASP A 40 11.607 3.525 -0.330 1.00 0.00 C ATOM 658 CG ASP A 40 12.479 2.962 0.772 1.00 0.00 C ATOM 659 OD1 ASP A 40 11.951 2.223 1.630 1.00 0.00 O ATOM 660 OD2 ASP A 40 13.692 3.264 0.782 1.00 0.00 O ATOM 0 H ASP A 40 11.073 1.049 0.444 1.00 0.00 H new ATOM 0 HA ASP A 40 9.966 2.906 -1.555 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.229 4.091 -1.024 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.893 4.226 0.102 1.00 0.00 H new ATOM 665 N PHE A 41 11.273 2.105 -3.444 1.00 0.00 N ATOM 666 CA PHE A 41 11.985 1.642 -4.628 1.00 0.00 C ATOM 667 C PHE A 41 13.174 2.549 -4.917 1.00 0.00 C ATOM 668 O PHE A 41 14.010 2.255 -5.771 1.00 0.00 O ATOM 669 CB PHE A 41 11.029 1.660 -5.821 1.00 0.00 C ATOM 670 CG PHE A 41 11.497 0.864 -7.005 1.00 0.00 C ATOM 671 CD1 PHE A 41 12.457 1.378 -7.863 1.00 0.00 C ATOM 672 CD2 PHE A 41 10.969 -0.388 -7.269 1.00 0.00 C ATOM 673 CE1 PHE A 41 12.884 0.654 -8.960 1.00 0.00 C ATOM 674 CE2 PHE A 41 11.389 -1.115 -8.365 1.00 0.00 C ATOM 675 CZ PHE A 41 12.350 -0.595 -9.211 1.00 0.00 C ATOM 0 H PHE A 41 10.413 2.613 -3.649 1.00 0.00 H new ATOM 0 HA PHE A 41 12.350 0.629 -4.456 1.00 0.00 H new ATOM 0 HB2 PHE A 41 10.061 1.276 -5.500 1.00 0.00 H new ATOM 0 HB3 PHE A 41 10.875 2.693 -6.132 1.00 0.00 H new ATOM 0 HD1 PHE A 41 12.876 2.355 -7.672 1.00 0.00 H new ATOM 0 HD2 PHE A 41 10.220 -0.801 -6.610 1.00 0.00 H new ATOM 0 HE1 PHE A 41 13.634 1.064 -9.620 1.00 0.00 H new ATOM 0 HE2 PHE A 41 10.967 -2.090 -8.561 1.00 0.00 H new ATOM 0 HZ PHE A 41 12.683 -1.164 -10.067 1.00 0.00 H new ATOM 685 N GLY A 42 13.224 3.661 -4.198 1.00 0.00 N ATOM 686 CA GLY A 42 14.289 4.626 -4.372 1.00 0.00 C ATOM 687 C GLY A 42 13.755 6.006 -4.716 1.00 0.00 C ATOM 688 O GLY A 42 13.703 6.888 -3.860 1.00 0.00 O ATOM 0 H GLY A 42 12.536 3.914 -3.488 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.880 4.683 -3.458 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.958 4.289 -5.163 1.00 0.00 H new ATOM 692 N ASP A 43 13.344 6.188 -5.969 1.00 0.00 N ATOM 693 CA ASP A 43 12.796 7.464 -6.422 1.00 0.00 C ATOM 694 C ASP A 43 11.273 7.446 -6.319 1.00 0.00 C ATOM 695 O ASP A 43 10.565 7.762 -7.276 1.00 0.00 O ATOM 696 CB ASP A 43 13.225 7.749 -7.863 1.00 0.00 C ATOM 697 CG ASP A 43 14.709 7.530 -8.078 1.00 0.00 C ATOM 698 OD1 ASP A 43 15.513 8.251 -7.450 1.00 0.00 O ATOM 699 OD2 ASP A 43 15.069 6.638 -8.875 1.00 0.00 O ATOM 0 H ASP A 43 13.380 5.467 -6.689 1.00 0.00 H new ATOM 0 HA ASP A 43 13.184 8.257 -5.782 1.00 0.00 H new ATOM 0 HB2 ASP A 43 12.664 7.105 -8.540 1.00 0.00 H new ATOM 0 HB3 ASP A 43 12.972 8.778 -8.118 1.00 0.00 H new ATOM 704 N SER A 44 10.786 7.061 -5.142 1.00 0.00 N ATOM 705 CA SER A 44 9.355 6.969 -4.862 1.00 0.00 C ATOM 706 C SER A 44 9.143 6.207 -3.549 1.00 0.00 C ATOM 707 O SER A 44 10.109 5.927 -2.840 1.00 0.00 O ATOM 708 CB SER A 44 8.617 6.282 -6.022 1.00 0.00 C ATOM 709 OG SER A 44 8.033 5.053 -5.621 1.00 0.00 O ATOM 0 H SER A 44 11.376 6.803 -4.351 1.00 0.00 H new ATOM 0 HA SER A 44 8.944 7.973 -4.760 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.841 6.946 -6.403 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.314 6.103 -6.841 1.00 0.00 H new ATOM 0 HG SER A 44 8.674 4.325 -5.761 1.00 0.00 H new ATOM 715 N ASN A 45 7.894 5.867 -3.222 1.00 0.00 N ATOM 716 CA ASN A 45 7.607 5.142 -1.988 1.00 0.00 C ATOM 717 C ASN A 45 6.229 4.489 -2.051 1.00 0.00 C ATOM 718 O ASN A 45 5.382 4.896 -2.848 1.00 0.00 O ATOM 719 CB ASN A 45 7.652 6.093 -0.783 1.00 0.00 C ATOM 720 CG ASN A 45 9.006 6.747 -0.594 1.00 0.00 C ATOM 721 OD1 ASN A 45 9.346 7.709 -1.284 1.00 0.00 O ATOM 722 ND2 ASN A 45 9.787 6.231 0.347 1.00 0.00 N ATOM 0 H ASN A 45 7.074 6.081 -3.790 1.00 0.00 H new ATOM 0 HA ASN A 45 8.367 4.369 -1.873 1.00 0.00 H new ATOM 0 HB2 ASN A 45 6.895 6.867 -0.910 1.00 0.00 H new ATOM 0 HB3 ASN A 45 7.393 5.539 0.120 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.708 6.632 0.521 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.466 5.433 0.896 1.00 0.00 H new ATOM 729 N CYS A 46 5.993 3.496 -1.196 1.00 0.00 N ATOM 730 CA CYS A 46 4.705 2.828 -1.157 1.00 0.00 C ATOM 731 C CYS A 46 4.460 2.264 0.236 1.00 0.00 C ATOM 732 O CYS A 46 5.011 1.228 0.607 1.00 0.00 O ATOM 733 CB CYS A 46 4.651 1.715 -2.200 1.00 0.00 C ATOM 734 SG CYS A 46 3.103 0.783 -2.211 1.00 0.00 S ATOM 0 H CYS A 46 6.676 3.142 -0.527 1.00 0.00 H new ATOM 0 HA CYS A 46 3.923 3.551 -1.388 1.00 0.00 H new ATOM 0 HB2 CYS A 46 4.807 2.150 -3.187 1.00 0.00 H new ATOM 0 HB3 CYS A 46 5.476 1.025 -2.022 1.00 0.00 H new ATOM 0 HG CYS A 46 3.156 -0.135 -3.130 1.00 0.00 H new ATOM 740 N GLU A 47 3.635 2.962 1.005 1.00 0.00 N ATOM 741 CA GLU A 47 3.317 2.549 2.363 1.00 0.00 C ATOM 742 C GLU A 47 1.916 1.952 2.406 1.00 0.00 C ATOM 743 O GLU A 47 1.071 2.273 1.570 1.00 0.00 O ATOM 744 CB GLU A 47 3.432 3.760 3.300 1.00 0.00 C ATOM 745 CG GLU A 47 3.897 3.445 4.720 1.00 0.00 C ATOM 746 CD GLU A 47 4.600 4.622 5.368 1.00 0.00 C ATOM 747 OE1 GLU A 47 3.920 5.621 5.681 1.00 0.00 O ATOM 748 OE2 GLU A 47 5.831 4.543 5.563 1.00 0.00 O ATOM 0 H GLU A 47 3.172 3.821 0.708 1.00 0.00 H new ATOM 0 HA GLU A 47 4.020 1.785 2.694 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.126 4.475 2.859 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.460 4.250 3.354 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.038 3.159 5.327 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.571 2.589 4.698 1.00 0.00 H new ATOM 755 N LEU A 48 1.671 1.079 3.373 1.00 0.00 N ATOM 756 CA LEU A 48 0.360 0.440 3.497 1.00 0.00 C ATOM 757 C LEU A 48 -0.060 0.334 4.956 1.00 0.00 C ATOM 758 O LEU A 48 0.476 -0.476 5.708 1.00 0.00 O ATOM 759 CB LEU A 48 0.370 -0.953 2.831 1.00 0.00 C ATOM 760 CG LEU A 48 -0.970 -1.707 2.823 1.00 0.00 C ATOM 761 CD1 LEU A 48 -2.131 -0.776 2.504 1.00 0.00 C ATOM 762 CD2 LEU A 48 -0.927 -2.858 1.826 1.00 0.00 C ATOM 0 H LEU A 48 2.352 0.796 4.078 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.370 1.064 2.981 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.706 -0.838 1.800 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.109 -1.572 3.340 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.129 -2.110 3.823 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.063 -1.342 2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.183 0.012 3.256 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.980 -0.330 1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.883 -3.381 1.833 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.735 -2.467 0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.132 -3.551 2.104 1.00 0.00 H new ATOM 774 N LEU A 49 -1.043 1.145 5.342 1.00 0.00 N ATOM 775 CA LEU A 49 -1.553 1.124 6.716 1.00 0.00 C ATOM 776 C LEU A 49 -2.598 0.039 6.833 1.00 0.00 C ATOM 777 O LEU A 49 -3.482 -0.062 5.989 1.00 0.00 O ATOM 778 CB LEU A 49 -2.146 2.477 7.127 1.00 0.00 C ATOM 779 CG LEU A 49 -2.246 2.699 8.640 1.00 0.00 C ATOM 780 CD1 LEU A 49 -1.192 3.693 9.104 1.00 0.00 C ATOM 781 CD2 LEU A 49 -3.638 3.182 9.019 1.00 0.00 C ATOM 0 H LEU A 49 -1.501 1.821 4.730 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.721 0.921 7.390 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.536 3.271 6.696 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.142 2.569 6.693 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.065 1.747 9.139 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.278 3.838 10.181 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.200 3.308 8.868 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.342 4.646 8.596 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.689 3.334 10.097 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.848 4.122 8.510 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.375 2.436 8.722 1.00 0.00 H new ATOM 793 N ALA A 50 -2.483 -0.798 7.853 1.00 0.00 N ATOM 794 CA ALA A 50 -3.424 -1.891 8.008 1.00 0.00 C ATOM 795 C ALA A 50 -3.783 -2.174 9.458 1.00 0.00 C ATOM 796 O ALA A 50 -2.952 -2.620 10.248 1.00 0.00 O ATOM 797 CB ALA A 50 -2.863 -3.129 7.340 1.00 0.00 C ATOM 0 H ALA A 50 -1.761 -0.742 8.572 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.355 -1.594 7.525 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.566 -3.954 7.453 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.705 -2.930 6.280 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.914 -3.395 7.805 1.00 0.00 H new ATOM 803 N HIS A 51 -5.051 -1.940 9.782 1.00 0.00 N ATOM 804 CA HIS A 51 -5.573 -2.190 11.101 1.00 0.00 C ATOM 805 C HIS A 51 -6.570 -3.355 11.020 1.00 0.00 C ATOM 806 O HIS A 51 -6.998 -3.739 9.932 1.00 0.00 O ATOM 807 CB HIS A 51 -6.223 -0.918 11.669 1.00 0.00 C ATOM 808 CG HIS A 51 -5.875 -0.652 13.102 1.00 0.00 C ATOM 809 ND1 HIS A 51 -6.772 -0.131 14.012 1.00 0.00 N ATOM 810 CD2 HIS A 51 -4.718 -0.842 13.788 1.00 0.00 C ATOM 811 CE1 HIS A 51 -6.185 -0.011 15.189 1.00 0.00 C ATOM 812 NE2 HIS A 51 -4.940 -0.435 15.080 1.00 0.00 N ATOM 0 H HIS A 51 -5.740 -1.570 9.127 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.767 -2.465 11.781 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.917 -0.064 11.065 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -7.306 -1.002 11.577 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -3.796 -1.239 13.391 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.646 0.370 16.088 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.254 -0.457 15.834 1.00 0.00 H new ATOM 821 N PRO A 52 -6.929 -3.945 12.161 1.00 0.00 N ATOM 822 CA PRO A 52 -7.847 -5.091 12.228 1.00 0.00 C ATOM 823 C PRO A 52 -9.114 -4.939 11.386 1.00 0.00 C ATOM 824 O PRO A 52 -9.771 -5.935 11.083 1.00 0.00 O ATOM 825 CB PRO A 52 -8.195 -5.160 13.713 1.00 0.00 C ATOM 826 CG PRO A 52 -6.982 -4.630 14.390 1.00 0.00 C ATOM 827 CD PRO A 52 -6.445 -3.553 13.486 1.00 0.00 C ATOM 0 HA PRO A 52 -7.381 -5.989 11.823 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.076 -4.561 13.945 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.413 -6.181 14.025 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -7.227 -4.229 15.373 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.244 -5.417 14.542 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.814 -2.568 13.773 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.356 -3.508 13.518 1.00 0.00 H new ATOM 835 N ASP A 53 -9.478 -3.712 11.014 1.00 0.00 N ATOM 836 CA ASP A 53 -10.690 -3.515 10.223 1.00 0.00 C ATOM 837 C ASP A 53 -10.559 -2.426 9.160 1.00 0.00 C ATOM 838 O ASP A 53 -11.519 -2.164 8.435 1.00 0.00 O ATOM 839 CB ASP A 53 -11.874 -3.204 11.140 1.00 0.00 C ATOM 840 CG ASP A 53 -13.198 -3.636 10.539 1.00 0.00 C ATOM 841 OD1 ASP A 53 -13.682 -2.950 9.614 1.00 0.00 O ATOM 842 OD2 ASP A 53 -13.750 -4.659 10.994 1.00 0.00 O ATOM 0 H ASP A 53 -8.965 -2.860 11.241 1.00 0.00 H new ATOM 0 HA ASP A 53 -10.859 -4.451 9.690 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.731 -3.706 12.097 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.902 -2.133 11.343 1.00 0.00 H new ATOM 847 N HIS A 54 -9.389 -1.811 9.026 1.00 0.00 N ATOM 848 CA HIS A 54 -9.222 -0.791 7.995 1.00 0.00 C ATOM 849 C HIS A 54 -7.808 -0.790 7.419 1.00 0.00 C ATOM 850 O HIS A 54 -6.868 -1.257 8.062 1.00 0.00 O ATOM 851 CB HIS A 54 -9.595 0.598 8.514 1.00 0.00 C ATOM 852 CG HIS A 54 -8.811 1.036 9.713 1.00 0.00 C ATOM 853 ND1 HIS A 54 -7.648 1.770 9.623 1.00 0.00 N ATOM 854 CD2 HIS A 54 -9.037 0.855 11.035 1.00 0.00 C ATOM 855 CE1 HIS A 54 -7.193 2.022 10.836 1.00 0.00 C ATOM 856 NE2 HIS A 54 -8.018 1.479 11.713 1.00 0.00 N ATOM 0 H HIS A 54 -8.565 -1.992 9.599 1.00 0.00 H new ATOM 0 HA HIS A 54 -9.908 -1.045 7.187 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -9.450 1.324 7.714 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -10.656 0.607 8.764 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -9.865 0.319 11.475 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -6.298 2.578 11.072 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -7.915 1.517 12.727 1.00 0.00 H new ATOM 865 N VAL A 55 -7.659 -0.269 6.196 1.00 0.00 N ATOM 866 CA VAL A 55 -6.364 -0.221 5.540 1.00 0.00 C ATOM 867 C VAL A 55 -6.190 1.091 4.774 1.00 0.00 C ATOM 868 O VAL A 55 -7.116 1.568 4.118 1.00 0.00 O ATOM 869 CB VAL A 55 -6.185 -1.428 4.587 1.00 0.00 C ATOM 870 CG1 VAL A 55 -6.706 -1.127 3.187 1.00 0.00 C ATOM 871 CG2 VAL A 55 -4.731 -1.873 4.536 1.00 0.00 C ATOM 0 H VAL A 55 -8.424 0.123 5.647 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.596 -0.274 6.311 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.781 -2.247 4.990 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.562 -1.999 2.550 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.768 -0.887 3.238 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.162 -0.279 2.771 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.634 -2.722 3.859 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.111 -1.051 4.178 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.405 -2.165 5.534 1.00 0.00 H new ATOM 881 N LEU A 56 -4.999 1.662 4.866 1.00 0.00 N ATOM 882 CA LEU A 56 -4.690 2.918 4.183 1.00 0.00 C ATOM 883 C LEU A 56 -3.524 2.717 3.222 1.00 0.00 C ATOM 884 O LEU A 56 -2.625 1.920 3.482 1.00 0.00 O ATOM 885 CB LEU A 56 -4.348 4.019 5.205 1.00 0.00 C ATOM 886 CG LEU A 56 -5.330 5.196 5.300 1.00 0.00 C ATOM 887 CD1 LEU A 56 -4.920 6.134 6.427 1.00 0.00 C ATOM 888 CD2 LEU A 56 -5.411 5.961 3.984 1.00 0.00 C ATOM 0 H LEU A 56 -4.225 1.277 5.408 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.568 3.230 3.617 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.272 3.558 6.190 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.362 4.416 4.962 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.319 4.790 5.514 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.624 6.964 6.484 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.923 5.591 7.372 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.919 6.520 6.233 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.115 6.787 4.086 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.426 6.353 3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.750 5.291 3.194 1.00 0.00 H new ATOM 900 N MET A 57 -3.549 3.435 2.107 1.00 0.00 N ATOM 901 CA MET A 57 -2.495 3.317 1.107 1.00 0.00 C ATOM 902 C MET A 57 -1.945 4.688 0.722 1.00 0.00 C ATOM 903 O MET A 57 -2.654 5.503 0.134 1.00 0.00 O ATOM 904 CB MET A 57 -3.041 2.582 -0.119 1.00 0.00 C ATOM 905 CG MET A 57 -3.969 1.432 0.247 1.00 0.00 C ATOM 906 SD MET A 57 -4.631 0.584 -1.200 1.00 0.00 S ATOM 907 CE MET A 57 -6.383 0.599 -0.828 1.00 0.00 C ATOM 0 H MET A 57 -4.284 4.102 1.872 1.00 0.00 H new ATOM 0 HA MET A 57 -1.669 2.744 1.529 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.578 3.289 -0.751 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.208 2.197 -0.707 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.428 0.717 0.866 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.794 1.814 0.848 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.928 0.093 -1.624 1.00 0.00 H new ATOM 0 HE2 MET A 57 -6.559 0.084 0.117 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.729 1.629 -0.749 1.00 0.00 H new ATOM 917 N ILE A 58 -0.674 4.941 1.055 1.00 0.00 N ATOM 918 CA ILE A 58 -0.043 6.212 0.740 1.00 0.00 C ATOM 919 C ILE A 58 1.237 5.996 -0.059 1.00 0.00 C ATOM 920 O ILE A 58 2.026 5.102 0.247 1.00 0.00 O ATOM 921 CB ILE A 58 0.304 7.005 2.017 1.00 0.00 C ATOM 922 CG1 ILE A 58 -0.928 7.139 2.931 1.00 0.00 C ATOM 923 CG2 ILE A 58 0.869 8.368 1.646 1.00 0.00 C ATOM 924 CD1 ILE A 58 -1.273 8.567 3.314 1.00 0.00 C ATOM 0 H ILE A 58 -0.070 4.279 1.541 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.759 6.782 0.149 1.00 0.00 H new ATOM 0 HB ILE A 58 1.065 6.459 2.574 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.787 6.693 2.430 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.755 6.564 3.840 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.111 8.921 2.554 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.772 8.237 1.049 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.130 8.924 1.069 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.153 8.569 3.958 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.433 9.014 3.846 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.481 9.145 2.414 1.00 0.00 H new ATOM 936 N LEU A 59 1.445 6.823 -1.076 1.00 0.00 N ATOM 937 CA LEU A 59 2.637 6.717 -1.906 1.00 0.00 C ATOM 938 C LEU A 59 3.395 8.035 -1.955 1.00 0.00 C ATOM 939 O LEU A 59 2.795 9.105 -1.986 1.00 0.00 O ATOM 940 CB LEU A 59 2.267 6.273 -3.334 1.00 0.00 C ATOM 941 CG LEU A 59 1.718 7.352 -4.284 1.00 0.00 C ATOM 942 CD1 LEU A 59 0.470 7.982 -3.707 1.00 0.00 C ATOM 943 CD2 LEU A 59 2.759 8.421 -4.593 1.00 0.00 C ATOM 0 H LEU A 59 0.806 7.571 -1.345 1.00 0.00 H new ATOM 0 HA LEU A 59 3.285 5.965 -1.456 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.154 5.838 -3.793 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.524 5.479 -3.259 1.00 0.00 H new ATOM 0 HG LEU A 59 1.465 6.860 -5.223 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.096 8.743 -4.392 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.292 7.216 -3.565 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.705 8.443 -2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.330 9.163 -5.267 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.067 8.907 -3.667 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.625 7.959 -5.066 1.00 0.00 H new ATOM 955 N ASN A 60 4.717 7.949 -2.014 1.00 0.00 N ATOM 956 CA ASN A 60 5.551 9.137 -2.129 1.00 0.00 C ATOM 957 C ASN A 60 6.356 9.016 -3.408 1.00 0.00 C ATOM 958 O ASN A 60 7.321 8.260 -3.469 1.00 0.00 O ATOM 959 CB ASN A 60 6.489 9.283 -0.925 1.00 0.00 C ATOM 960 CG ASN A 60 6.568 10.710 -0.414 1.00 0.00 C ATOM 961 OD1 ASN A 60 6.639 10.946 0.791 1.00 0.00 O ATOM 962 ND2 ASN A 60 6.558 11.670 -1.331 1.00 0.00 N ATOM 0 H ASN A 60 5.234 7.070 -1.984 1.00 0.00 H new ATOM 0 HA ASN A 60 4.919 10.025 -2.152 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.146 8.632 -0.121 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.487 8.946 -1.204 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.610 12.648 -1.046 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.498 11.430 -2.320 1.00 0.00 H new ATOM 969 N SER A 61 5.940 9.733 -4.443 1.00 0.00 N ATOM 970 CA SER A 61 6.633 9.643 -5.733 1.00 0.00 C ATOM 971 C SER A 61 6.764 10.994 -6.435 1.00 0.00 C ATOM 972 O SER A 61 5.807 11.763 -6.516 1.00 0.00 O ATOM 973 CB SER A 61 5.894 8.679 -6.658 1.00 0.00 C ATOM 974 OG SER A 61 5.150 7.731 -5.916 1.00 0.00 O ATOM 0 H SER A 61 5.145 10.372 -4.424 1.00 0.00 H new ATOM 0 HA SER A 61 7.638 9.280 -5.518 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.226 9.238 -7.313 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.610 8.164 -7.298 1.00 0.00 H new ATOM 0 HG SER A 61 5.563 6.847 -6.008 1.00 0.00 H new ATOM 980 N PRO A 62 7.967 11.284 -6.961 1.00 0.00 N ATOM 981 CA PRO A 62 8.257 12.535 -7.679 1.00 0.00 C ATOM 982 C PRO A 62 7.500 12.682 -8.994 1.00 0.00 C ATOM 983 O PRO A 62 7.534 13.748 -9.608 1.00 0.00 O ATOM 984 CB PRO A 62 9.755 12.439 -7.945 1.00 0.00 C ATOM 985 CG PRO A 62 10.047 10.982 -7.945 1.00 0.00 C ATOM 986 CD PRO A 62 9.151 10.409 -6.897 1.00 0.00 C ATOM 0 HA PRO A 62 7.950 13.403 -7.096 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.017 12.895 -8.900 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.328 12.957 -7.176 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.847 10.539 -8.921 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.095 10.789 -7.717 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.897 9.370 -7.107 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.617 10.431 -5.912 1.00 0.00 H new ATOM 994 N ASP A 63 6.815 11.629 -9.434 1.00 0.00 N ATOM 995 CA ASP A 63 6.069 11.707 -10.682 1.00 0.00 C ATOM 996 C ASP A 63 4.823 10.824 -10.616 1.00 0.00 C ATOM 997 O ASP A 63 4.802 9.832 -9.887 1.00 0.00 O ATOM 998 CB ASP A 63 6.966 11.315 -11.859 1.00 0.00 C ATOM 999 CG ASP A 63 7.864 12.455 -12.300 1.00 0.00 C ATOM 1000 OD1 ASP A 63 7.381 13.341 -13.035 1.00 0.00 O ATOM 1001 OD2 ASP A 63 9.050 12.459 -11.911 1.00 0.00 O ATOM 0 H ASP A 63 6.762 10.730 -8.955 1.00 0.00 H new ATOM 0 HA ASP A 63 5.741 12.735 -10.834 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.580 10.460 -11.577 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.345 10.999 -12.697 1.00 0.00 H new ATOM 1006 N GLU A 64 3.776 11.192 -11.356 1.00 0.00 N ATOM 1007 CA GLU A 64 2.527 10.405 -11.326 1.00 0.00 C ATOM 1008 C GLU A 64 2.758 8.960 -11.759 1.00 0.00 C ATOM 1009 O GLU A 64 2.242 8.044 -11.124 1.00 0.00 O ATOM 1010 CB GLU A 64 1.404 11.034 -12.164 1.00 0.00 C ATOM 1011 CG GLU A 64 0.548 12.001 -11.361 1.00 0.00 C ATOM 1012 CD GLU A 64 1.063 13.425 -11.420 1.00 0.00 C ATOM 1013 OE1 GLU A 64 1.758 13.765 -12.401 1.00 0.00 O ATOM 1014 OE2 GLU A 64 0.773 14.200 -10.486 1.00 0.00 O ATOM 0 H GLU A 64 3.758 12.006 -11.970 1.00 0.00 H new ATOM 0 HA GLU A 64 2.201 10.410 -10.286 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.840 11.560 -13.013 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.771 10.244 -12.569 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.475 11.973 -11.737 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.515 11.674 -10.322 1.00 0.00 H new ATOM 1021 N ASP A 65 3.535 8.740 -12.821 1.00 0.00 N ATOM 1022 CA ASP A 65 3.810 7.374 -13.273 1.00 0.00 C ATOM 1023 C ASP A 65 4.189 6.519 -12.074 1.00 0.00 C ATOM 1024 O ASP A 65 3.559 5.501 -11.788 1.00 0.00 O ATOM 1025 CB ASP A 65 4.952 7.378 -14.281 1.00 0.00 C ATOM 1026 CG ASP A 65 5.099 6.052 -15.000 1.00 0.00 C ATOM 1027 OD1 ASP A 65 4.404 5.847 -16.017 1.00 0.00 O ATOM 1028 OD2 ASP A 65 5.909 5.216 -14.546 1.00 0.00 O ATOM 0 H ASP A 65 3.977 9.473 -13.375 1.00 0.00 H new ATOM 0 HA ASP A 65 2.920 6.965 -13.751 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.783 8.167 -15.013 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.884 7.614 -13.768 1.00 0.00 H new ATOM 1033 N SER A 66 5.193 6.988 -11.344 1.00 0.00 N ATOM 1034 CA SER A 66 5.637 6.326 -10.127 1.00 0.00 C ATOM 1035 C SER A 66 4.486 6.325 -9.130 1.00 0.00 C ATOM 1036 O SER A 66 4.032 5.281 -8.665 1.00 0.00 O ATOM 1037 CB SER A 66 6.836 7.067 -9.534 1.00 0.00 C ATOM 1038 OG SER A 66 7.991 6.896 -10.338 1.00 0.00 O ATOM 0 H SER A 66 5.718 7.831 -11.577 1.00 0.00 H new ATOM 0 HA SER A 66 5.939 5.303 -10.351 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.604 8.128 -9.446 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.033 6.699 -8.527 1.00 0.00 H new ATOM 0 HG SER A 66 8.743 7.381 -9.938 1.00 0.00 H new ATOM 1044 N LEU A 67 4.016 7.532 -8.842 1.00 0.00 N ATOM 1045 CA LEU A 67 2.902 7.778 -7.929 1.00 0.00 C ATOM 1046 C LEU A 67 1.790 6.745 -8.102 1.00 0.00 C ATOM 1047 O LEU A 67 1.458 6.024 -7.163 1.00 0.00 O ATOM 1048 CB LEU A 67 2.396 9.212 -8.194 1.00 0.00 C ATOM 1049 CG LEU A 67 1.065 9.645 -7.567 1.00 0.00 C ATOM 1050 CD1 LEU A 67 0.807 11.111 -7.868 1.00 0.00 C ATOM 1051 CD2 LEU A 67 -0.103 8.801 -8.057 1.00 0.00 C ATOM 0 H LEU A 67 4.405 8.385 -9.243 1.00 0.00 H new ATOM 0 HA LEU A 67 3.235 7.682 -6.896 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.165 9.904 -7.850 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.311 9.340 -9.273 1.00 0.00 H new ATOM 0 HG LEU A 67 1.145 9.496 -6.490 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.140 11.413 -7.420 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.614 11.715 -7.453 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.761 11.258 -8.947 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.024 9.145 -7.585 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.192 8.896 -9.139 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.069 7.756 -7.798 1.00 0.00 H new ATOM 1063 N ALA A 68 1.216 6.670 -9.293 1.00 0.00 N ATOM 1064 CA ALA A 68 0.146 5.715 -9.548 1.00 0.00 C ATOM 1065 C ALA A 68 0.670 4.291 -9.451 1.00 0.00 C ATOM 1066 O ALA A 68 -0.023 3.395 -8.969 1.00 0.00 O ATOM 1067 CB ALA A 68 -0.477 5.966 -10.913 1.00 0.00 C ATOM 0 H ALA A 68 1.469 7.252 -10.092 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.625 5.849 -8.790 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.275 5.244 -11.087 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.888 6.975 -10.945 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.284 5.859 -11.686 1.00 0.00 H new ATOM 1073 N HIS A 69 1.909 4.088 -9.895 1.00 0.00 N ATOM 1074 CA HIS A 69 2.529 2.770 -9.839 1.00 0.00 C ATOM 1075 C HIS A 69 2.453 2.219 -8.420 1.00 0.00 C ATOM 1076 O HIS A 69 2.205 1.034 -8.212 1.00 0.00 O ATOM 1077 CB HIS A 69 3.987 2.841 -10.296 1.00 0.00 C ATOM 1078 CG HIS A 69 4.589 1.501 -10.583 1.00 0.00 C ATOM 1079 ND1 HIS A 69 3.986 0.312 -10.228 1.00 0.00 N ATOM 1080 CD2 HIS A 69 5.747 1.162 -11.200 1.00 0.00 C ATOM 1081 CE1 HIS A 69 4.747 -0.697 -10.610 1.00 0.00 C ATOM 1082 NE2 HIS A 69 5.820 -0.209 -11.203 1.00 0.00 N ATOM 0 H HIS A 69 2.499 4.817 -10.295 1.00 0.00 H new ATOM 0 HA HIS A 69 1.988 2.103 -10.511 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.049 3.458 -11.193 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.577 3.338 -9.526 1.00 0.00 H new ATOM 0 HD2 HIS A 69 6.476 1.843 -11.612 1.00 0.00 H new ATOM 0 HE1 HIS A 69 4.528 -1.744 -10.462 1.00 0.00 H new ATOM 0 HE2 HIS A 69 6.581 -0.761 -11.599 1.00 0.00 H new ATOM 1091 N MET A 70 2.669 3.099 -7.448 1.00 0.00 N ATOM 1092 CA MET A 70 2.628 2.713 -6.039 1.00 0.00 C ATOM 1093 C MET A 70 1.186 2.561 -5.540 1.00 0.00 C ATOM 1094 O MET A 70 0.806 1.497 -5.051 1.00 0.00 O ATOM 1095 CB MET A 70 3.367 3.752 -5.187 1.00 0.00 C ATOM 1096 CG MET A 70 4.608 4.333 -5.849 1.00 0.00 C ATOM 1097 SD MET A 70 5.673 3.071 -6.580 1.00 0.00 S ATOM 1098 CE MET A 70 6.551 4.038 -7.806 1.00 0.00 C ATOM 0 H MET A 70 2.874 4.085 -7.608 1.00 0.00 H new ATOM 0 HA MET A 70 3.122 1.746 -5.944 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.681 4.565 -4.950 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.655 3.292 -4.242 1.00 0.00 H new ATOM 0 HG2 MET A 70 4.304 5.037 -6.623 1.00 0.00 H new ATOM 0 HG3 MET A 70 5.177 4.897 -5.110 1.00 0.00 H new ATOM 0 HE1 MET A 70 6.209 3.759 -8.803 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.358 5.098 -7.640 1.00 0.00 H new ATOM 0 HE3 MET A 70 7.621 3.847 -7.722 1.00 0.00 H new ATOM 1108 N GLN A 71 0.386 3.627 -5.650 1.00 0.00 N ATOM 1109 CA GLN A 71 -1.005 3.584 -5.186 1.00 0.00 C ATOM 1110 C GLN A 71 -1.797 2.465 -5.859 1.00 0.00 C ATOM 1111 O GLN A 71 -2.739 1.931 -5.274 1.00 0.00 O ATOM 1112 CB GLN A 71 -1.740 4.926 -5.374 1.00 0.00 C ATOM 1113 CG GLN A 71 -1.336 5.735 -6.591 1.00 0.00 C ATOM 1114 CD GLN A 71 -2.535 6.218 -7.385 1.00 0.00 C ATOM 1115 OE1 GLN A 71 -3.240 5.425 -8.011 1.00 0.00 O ATOM 1116 NE2 GLN A 71 -2.773 7.524 -7.364 1.00 0.00 N ATOM 0 H GLN A 71 0.673 4.520 -6.051 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.948 3.381 -4.117 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.810 4.727 -5.432 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.577 5.536 -4.485 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.743 6.593 -6.274 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.699 5.127 -7.233 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.163 8.145 -6.832 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.566 7.906 -7.880 1.00 0.00 H new ATOM 1125 N ASN A 72 -1.424 2.108 -7.084 1.00 0.00 N ATOM 1126 CA ASN A 72 -2.123 1.049 -7.807 1.00 0.00 C ATOM 1127 C ASN A 72 -1.626 -0.329 -7.379 1.00 0.00 C ATOM 1128 O ASN A 72 -2.421 -1.228 -7.107 1.00 0.00 O ATOM 1129 CB ASN A 72 -1.954 1.221 -9.317 1.00 0.00 C ATOM 1130 CG ASN A 72 -3.145 0.699 -10.095 1.00 0.00 C ATOM 1131 OD1 ASN A 72 -4.148 1.393 -10.257 1.00 0.00 O ATOM 1132 ND2 ASN A 72 -3.041 -0.533 -10.581 1.00 0.00 N ATOM 0 H ASN A 72 -0.649 2.532 -7.594 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.182 1.125 -7.562 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.809 2.277 -9.546 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.054 0.698 -9.641 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.812 -0.938 -11.112 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -2.191 -1.074 -10.423 1.00 0.00 H new ATOM 1139 N VAL A 73 -0.306 -0.490 -7.320 1.00 0.00 N ATOM 1140 CA VAL A 73 0.297 -1.760 -6.923 1.00 0.00 C ATOM 1141 C VAL A 73 -0.370 -2.316 -5.663 1.00 0.00 C ATOM 1142 O VAL A 73 -0.616 -3.517 -5.560 1.00 0.00 O ATOM 1143 CB VAL A 73 1.820 -1.604 -6.688 1.00 0.00 C ATOM 1144 CG1 VAL A 73 2.357 -2.684 -5.758 1.00 0.00 C ATOM 1145 CG2 VAL A 73 2.563 -1.628 -8.015 1.00 0.00 C ATOM 0 H VAL A 73 0.367 0.244 -7.542 1.00 0.00 H new ATOM 0 HA VAL A 73 0.141 -2.465 -7.740 1.00 0.00 H new ATOM 0 HB VAL A 73 1.986 -0.641 -6.206 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.428 -2.542 -5.616 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.852 -2.618 -4.794 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.176 -3.665 -6.197 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.632 -1.517 -7.835 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.376 -2.576 -8.520 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.214 -0.808 -8.642 1.00 0.00 H new ATOM 1155 N VAL A 74 -0.662 -1.435 -4.712 1.00 0.00 N ATOM 1156 CA VAL A 74 -1.304 -1.847 -3.466 1.00 0.00 C ATOM 1157 C VAL A 74 -2.755 -2.256 -3.709 1.00 0.00 C ATOM 1158 O VAL A 74 -3.196 -3.304 -3.233 1.00 0.00 O ATOM 1159 CB VAL A 74 -1.262 -0.731 -2.401 1.00 0.00 C ATOM 1160 CG1 VAL A 74 -2.020 -1.142 -1.143 1.00 0.00 C ATOM 1161 CG2 VAL A 74 0.176 -0.361 -2.056 1.00 0.00 C ATOM 0 H VAL A 74 -0.466 -0.436 -4.778 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.742 -2.703 -3.092 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.752 0.146 -2.823 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.973 -0.336 -0.410 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.061 -1.343 -1.395 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.568 -2.041 -0.723 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.178 0.427 -1.303 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.693 -1.237 -1.665 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.686 -0.008 -2.952 1.00 0.00 H new ATOM 1171 N ALA A 75 -3.499 -1.437 -4.464 1.00 0.00 N ATOM 1172 CA ALA A 75 -4.894 -1.743 -4.772 1.00 0.00 C ATOM 1173 C ALA A 75 -5.025 -3.190 -5.223 1.00 0.00 C ATOM 1174 O ALA A 75 -6.065 -3.824 -5.041 1.00 0.00 O ATOM 1175 CB ALA A 75 -5.427 -0.805 -5.848 1.00 0.00 C ATOM 0 H ALA A 75 -3.158 -0.565 -4.868 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.486 -1.599 -3.868 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.467 -1.050 -6.062 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.362 0.225 -5.498 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.834 -0.918 -6.755 1.00 0.00 H new ATOM 1181 N ASP A 76 -3.947 -3.706 -5.803 1.00 0.00 N ATOM 1182 CA ASP A 76 -3.916 -5.084 -6.276 1.00 0.00 C ATOM 1183 C ASP A 76 -3.737 -6.055 -5.110 1.00 0.00 C ATOM 1184 O ASP A 76 -4.379 -7.104 -5.061 1.00 0.00 O ATOM 1185 CB ASP A 76 -2.786 -5.271 -7.289 1.00 0.00 C ATOM 1186 CG ASP A 76 -3.179 -6.184 -8.434 1.00 0.00 C ATOM 1187 OD1 ASP A 76 -3.205 -7.416 -8.230 1.00 0.00 O ATOM 1188 OD2 ASP A 76 -3.464 -5.667 -9.535 1.00 0.00 O ATOM 0 H ASP A 76 -3.081 -3.189 -5.957 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.868 -5.298 -6.761 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.494 -4.299 -7.687 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.913 -5.683 -6.783 1.00 0.00 H new ATOM 1193 N HIS A 77 -2.857 -5.701 -4.174 1.00 0.00 N ATOM 1194 CA HIS A 77 -2.597 -6.550 -3.013 1.00 0.00 C ATOM 1195 C HIS A 77 -3.871 -6.782 -2.203 1.00 0.00 C ATOM 1196 O HIS A 77 -4.141 -7.902 -1.770 1.00 0.00 O ATOM 1197 CB HIS A 77 -1.503 -5.940 -2.128 1.00 0.00 C ATOM 1198 CG HIS A 77 -0.258 -5.576 -2.878 1.00 0.00 C ATOM 1199 ND1 HIS A 77 -0.075 -5.854 -4.217 1.00 0.00 N ATOM 1200 CD2 HIS A 77 0.873 -4.955 -2.468 1.00 0.00 C ATOM 1201 CE1 HIS A 77 1.113 -5.420 -4.597 1.00 0.00 C ATOM 1202 NE2 HIS A 77 1.708 -4.870 -3.556 1.00 0.00 N ATOM 0 H HIS A 77 -2.315 -4.837 -4.197 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.248 -7.516 -3.379 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -1.897 -5.048 -1.640 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -1.248 -6.648 -1.340 1.00 0.00 H new ATOM 0 HD2 HIS A 77 1.080 -4.594 -1.472 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.527 -5.502 -5.591 1.00 0.00 H new ATOM 0 HE2 HIS A 77 2.637 -4.450 -3.558 1.00 0.00 H new ATOM 1211 N LEU A 78 -4.665 -5.728 -2.013 1.00 0.00 N ATOM 1212 CA LEU A 78 -5.911 -5.843 -1.273 1.00 0.00 C ATOM 1213 C LEU A 78 -6.868 -6.776 -2.009 1.00 0.00 C ATOM 1214 O LEU A 78 -7.717 -7.422 -1.397 1.00 0.00 O ATOM 1215 CB LEU A 78 -6.557 -4.462 -1.091 1.00 0.00 C ATOM 1216 CG LEU A 78 -5.837 -3.500 -0.134 1.00 0.00 C ATOM 1217 CD1 LEU A 78 -6.769 -2.368 0.273 1.00 0.00 C ATOM 1218 CD2 LEU A 78 -5.328 -4.233 1.100 1.00 0.00 C ATOM 0 H LEU A 78 -4.464 -4.791 -2.362 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.696 -6.257 -0.288 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.628 -3.985 -2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.576 -4.605 -0.732 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.977 -3.081 -0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.247 -1.693 0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.084 -1.819 -0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.645 -2.780 0.774 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.823 -3.528 1.760 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.168 -4.685 1.627 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.628 -5.012 0.798 1.00 0.00 H new ATOM 1230 N GLN A 79 -6.725 -6.839 -3.331 1.00 0.00 N ATOM 1231 CA GLN A 79 -7.578 -7.693 -4.153 1.00 0.00 C ATOM 1232 C GLN A 79 -7.205 -9.170 -4.006 1.00 0.00 C ATOM 1233 O GLN A 79 -8.084 -10.026 -3.898 1.00 0.00 O ATOM 1234 CB GLN A 79 -7.503 -7.267 -5.623 1.00 0.00 C ATOM 1235 CG GLN A 79 -8.309 -8.154 -6.558 1.00 0.00 C ATOM 1236 CD GLN A 79 -8.758 -7.425 -7.810 1.00 0.00 C ATOM 1237 OE1 GLN A 79 -8.395 -6.271 -8.033 1.00 0.00 O ATOM 1238 NE2 GLN A 79 -9.553 -8.098 -8.634 1.00 0.00 N ATOM 0 H GLN A 79 -6.028 -6.310 -3.855 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.603 -7.573 -3.802 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.859 -6.241 -5.713 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.460 -7.272 -5.941 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.708 -9.018 -6.841 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.184 -8.533 -6.029 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.829 -9.054 -8.409 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.887 -7.659 -9.492 1.00 0.00 H new ATOM 1247 N ARG A 80 -5.907 -9.471 -4.001 1.00 0.00 N ATOM 1248 CA ARG A 80 -5.443 -10.841 -3.867 1.00 0.00 C ATOM 1249 C ARG A 80 -5.906 -11.440 -2.541 1.00 0.00 C ATOM 1250 O ARG A 80 -6.223 -12.626 -2.462 1.00 0.00 O ATOM 1251 CB ARG A 80 -3.915 -10.878 -3.978 1.00 0.00 C ATOM 1252 CG ARG A 80 -3.273 -12.113 -3.369 1.00 0.00 C ATOM 1253 CD ARG A 80 -1.970 -12.461 -4.069 1.00 0.00 C ATOM 1254 NE ARG A 80 -1.326 -13.632 -3.480 1.00 0.00 N ATOM 1255 CZ ARG A 80 -1.690 -14.887 -3.736 1.00 0.00 C ATOM 1256 NH1 ARG A 80 -2.694 -15.138 -4.567 1.00 0.00 N ATOM 1257 NH2 ARG A 80 -1.049 -15.893 -3.158 1.00 0.00 N ATOM 0 H ARG A 80 -5.162 -8.780 -4.089 1.00 0.00 H new ATOM 0 HA ARG A 80 -5.870 -11.442 -4.670 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.637 -10.820 -5.030 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -3.506 -9.993 -3.491 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.084 -11.942 -2.309 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -3.962 -12.955 -3.438 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -2.165 -12.648 -5.125 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -1.292 -11.609 -4.016 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.551 -13.479 -2.834 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -3.191 -14.367 -5.013 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -2.968 -16.101 -4.759 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.278 -15.705 -2.518 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -1.327 -16.855 -3.354 1.00 0.00 H new ATOM 1271 N MET A 81 -5.936 -10.613 -1.499 1.00 0.00 N ATOM 1272 CA MET A 81 -6.354 -11.074 -0.179 1.00 0.00 C ATOM 1273 C MET A 81 -7.877 -11.103 -0.040 1.00 0.00 C ATOM 1274 O MET A 81 -8.409 -11.721 0.882 1.00 0.00 O ATOM 1275 CB MET A 81 -5.733 -10.204 0.919 1.00 0.00 C ATOM 1276 CG MET A 81 -6.079 -8.719 0.842 1.00 0.00 C ATOM 1277 SD MET A 81 -7.780 -8.360 1.325 1.00 0.00 S ATOM 1278 CE MET A 81 -7.540 -6.910 2.349 1.00 0.00 C ATOM 0 H MET A 81 -5.678 -9.627 -1.543 1.00 0.00 H new ATOM 0 HA MET A 81 -5.994 -12.097 -0.064 1.00 0.00 H new ATOM 0 HB2 MET A 81 -6.053 -10.586 1.888 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.649 -10.311 0.876 1.00 0.00 H new ATOM 0 HG2 MET A 81 -5.400 -8.160 1.486 1.00 0.00 H new ATOM 0 HG3 MET A 81 -5.915 -8.367 -0.176 1.00 0.00 H new ATOM 0 HE1 MET A 81 -7.904 -7.112 3.356 1.00 0.00 H new ATOM 0 HE2 MET A 81 -6.479 -6.665 2.389 1.00 0.00 H new ATOM 0 HE3 MET A 81 -8.091 -6.070 1.925 1.00 0.00 H new ATOM 1288 N ALA A 82 -8.575 -10.438 -0.955 1.00 0.00 N ATOM 1289 CA ALA A 82 -10.035 -10.398 -0.921 1.00 0.00 C ATOM 1290 C ALA A 82 -10.622 -10.722 -2.292 1.00 0.00 C ATOM 1291 O ALA A 82 -10.681 -9.862 -3.171 1.00 0.00 O ATOM 1292 CB ALA A 82 -10.513 -9.032 -0.448 1.00 0.00 C ATOM 0 H ALA A 82 -8.156 -9.920 -1.728 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.381 -11.155 -0.217 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -11.603 -9.015 -0.427 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.128 -8.838 0.553 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.151 -8.263 -1.131 1.00 0.00 H new ATOM 1298 N ASN A 83 -11.050 -11.968 -2.466 1.00 0.00 N ATOM 1299 CA ASN A 83 -11.629 -12.407 -3.732 1.00 0.00 C ATOM 1300 C ASN A 83 -13.140 -12.191 -3.748 1.00 0.00 C ATOM 1301 O ASN A 83 -13.876 -12.825 -2.991 1.00 0.00 O ATOM 1302 CB ASN A 83 -11.310 -13.883 -3.976 1.00 0.00 C ATOM 1303 CG ASN A 83 -10.080 -14.073 -4.842 1.00 0.00 C ATOM 1304 OD1 ASN A 83 -9.127 -13.299 -4.764 1.00 0.00 O ATOM 1305 ND2 ASN A 83 -10.097 -15.109 -5.673 1.00 0.00 N ATOM 0 H ASN A 83 -11.007 -12.691 -1.748 1.00 0.00 H new ATOM 0 HA ASN A 83 -11.189 -11.809 -4.530 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -11.158 -14.382 -3.019 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -12.165 -14.363 -4.453 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -9.298 -15.289 -6.280 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -10.910 -15.725 -5.704 1.00 0.00 H new ATOM 1312 N SER A 84 -13.594 -11.294 -4.618 1.00 0.00 N ATOM 1313 CA SER A 84 -15.018 -10.992 -4.739 1.00 0.00 C ATOM 1314 C SER A 84 -15.251 -9.887 -5.765 1.00 0.00 C ATOM 1315 O SER A 84 -16.225 -9.919 -6.517 1.00 0.00 O ATOM 1316 CB SER A 84 -15.593 -10.572 -3.384 1.00 0.00 C ATOM 1317 OG SER A 84 -16.863 -11.163 -3.163 1.00 0.00 O ATOM 0 H SER A 84 -12.996 -10.762 -5.251 1.00 0.00 H new ATOM 0 HA SER A 84 -15.527 -11.895 -5.076 1.00 0.00 H new ATOM 0 HB2 SER A 84 -14.908 -10.866 -2.588 1.00 0.00 H new ATOM 0 HB3 SER A 84 -15.682 -9.486 -3.344 1.00 0.00 H new ATOM 0 HG SER A 84 -17.208 -10.880 -2.290 1.00 0.00 H new ATOM 1323 N GLU A 85 -14.349 -8.912 -5.788 1.00 0.00 N ATOM 1324 CA GLU A 85 -14.450 -7.792 -6.716 1.00 0.00 C ATOM 1325 C GLU A 85 -13.106 -7.087 -6.852 1.00 0.00 C ATOM 1326 O GLU A 85 -12.197 -7.315 -6.053 1.00 0.00 O ATOM 1327 CB GLU A 85 -15.508 -6.798 -6.232 1.00 0.00 C ATOM 1328 CG GLU A 85 -15.127 -6.082 -4.944 1.00 0.00 C ATOM 1329 CD GLU A 85 -15.984 -6.504 -3.766 1.00 0.00 C ATOM 1330 OE1 GLU A 85 -17.157 -6.872 -3.987 1.00 0.00 O ATOM 1331 OE2 GLU A 85 -15.483 -6.465 -2.623 1.00 0.00 O ATOM 0 H GLU A 85 -13.537 -8.875 -5.172 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.744 -8.181 -7.691 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.682 -6.057 -7.012 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -16.449 -7.327 -6.079 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.080 -6.283 -4.717 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -15.221 -5.006 -5.090 1.00 0.00 H new ATOM 1338 N SER A 86 -12.983 -6.222 -7.854 1.00 0.00 N ATOM 1339 CA SER A 86 -11.744 -5.488 -8.058 1.00 0.00 C ATOM 1340 C SER A 86 -11.586 -4.425 -6.977 1.00 0.00 C ATOM 1341 O SER A 86 -11.709 -3.230 -7.244 1.00 0.00 O ATOM 1342 CB SER A 86 -11.727 -4.839 -9.444 1.00 0.00 C ATOM 1343 OG SER A 86 -10.539 -4.094 -9.645 1.00 0.00 O ATOM 0 H SER A 86 -13.719 -6.015 -8.529 1.00 0.00 H new ATOM 0 HA SER A 86 -10.909 -6.186 -7.994 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.811 -5.609 -10.211 1.00 0.00 H new ATOM 0 HB3 SER A 86 -12.592 -4.185 -9.553 1.00 0.00 H new ATOM 0 HG SER A 86 -10.553 -3.691 -10.538 1.00 0.00 H new ATOM 1349 N LEU A 87 -11.324 -4.892 -5.754 1.00 0.00 N ATOM 1350 CA LEU A 87 -11.149 -4.029 -4.573 1.00 0.00 C ATOM 1351 C LEU A 87 -11.771 -2.652 -4.736 1.00 0.00 C ATOM 1352 O LEU A 87 -11.222 -1.795 -5.430 1.00 0.00 O ATOM 1353 CB LEU A 87 -9.668 -3.835 -4.222 1.00 0.00 C ATOM 1354 CG LEU A 87 -9.226 -4.357 -2.852 1.00 0.00 C ATOM 1355 CD1 LEU A 87 -9.373 -3.267 -1.802 1.00 0.00 C ATOM 1356 CD2 LEU A 87 -10.001 -5.602 -2.430 1.00 0.00 C ATOM 0 H LEU A 87 -11.226 -5.886 -5.549 1.00 0.00 H new ATOM 0 HA LEU A 87 -11.665 -4.556 -3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.067 -4.327 -4.987 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.440 -2.770 -4.273 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.177 -4.641 -2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -9.056 -3.651 -0.832 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.753 -2.413 -2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.416 -2.955 -1.745 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.652 -5.934 -1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.064 -5.368 -2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.842 -6.395 -3.161 1.00 0.00 H new ATOM 1368 N GLU A 88 -12.878 -2.416 -4.053 1.00 0.00 N ATOM 1369 CA GLU A 88 -13.497 -1.109 -4.104 1.00 0.00 C ATOM 1370 C GLU A 88 -12.612 -0.142 -3.334 1.00 0.00 C ATOM 1371 O GLU A 88 -12.667 -0.082 -2.105 1.00 0.00 O ATOM 1372 CB GLU A 88 -14.897 -1.150 -3.490 1.00 0.00 C ATOM 1373 CG GLU A 88 -15.647 0.168 -3.598 1.00 0.00 C ATOM 1374 CD GLU A 88 -15.711 0.912 -2.279 1.00 0.00 C ATOM 1375 OE1 GLU A 88 -16.450 0.462 -1.378 1.00 0.00 O ATOM 1376 OE2 GLU A 88 -15.021 1.945 -2.147 1.00 0.00 O ATOM 0 H GLU A 88 -13.357 -3.100 -3.468 1.00 0.00 H new ATOM 0 HA GLU A 88 -13.601 -0.786 -5.140 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -15.478 -1.930 -3.982 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.816 -1.427 -2.439 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -15.161 0.798 -4.343 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -16.660 -0.023 -3.953 1.00 0.00 H new ATOM 1383 N ILE A 89 -11.783 0.601 -4.055 1.00 0.00 N ATOM 1384 CA ILE A 89 -10.875 1.545 -3.422 1.00 0.00 C ATOM 1385 C ILE A 89 -10.910 2.897 -4.131 1.00 0.00 C ATOM 1386 O ILE A 89 -10.756 2.960 -5.351 1.00 0.00 O ATOM 1387 CB ILE A 89 -9.411 1.003 -3.385 1.00 0.00 C ATOM 1388 CG1 ILE A 89 -8.667 1.236 -4.711 1.00 0.00 C ATOM 1389 CG2 ILE A 89 -9.405 -0.475 -3.047 1.00 0.00 C ATOM 1390 CD1 ILE A 89 -9.032 0.249 -5.799 1.00 0.00 C ATOM 0 H ILE A 89 -11.721 0.568 -5.073 1.00 0.00 H new ATOM 0 HA ILE A 89 -11.216 1.675 -2.395 1.00 0.00 H new ATOM 0 HB ILE A 89 -8.885 1.560 -2.610 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -8.879 2.245 -5.063 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.594 1.181 -4.529 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.378 -0.839 -3.025 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.865 -0.627 -2.071 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -9.968 -1.023 -3.802 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.467 0.478 -6.703 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.793 -0.762 -5.468 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.099 0.319 -6.011 1.00 0.00 H new ATOM 1402 N ALA A 90 -11.095 3.983 -3.380 1.00 0.00 N ATOM 1403 CA ALA A 90 -11.110 5.298 -3.999 1.00 0.00 C ATOM 1404 C ALA A 90 -9.733 5.928 -3.898 1.00 0.00 C ATOM 1405 O ALA A 90 -9.279 6.291 -2.813 1.00 0.00 O ATOM 1406 CB ALA A 90 -12.155 6.209 -3.363 1.00 0.00 C ATOM 0 H ALA A 90 -11.233 3.976 -2.369 1.00 0.00 H new ATOM 0 HA ALA A 90 -11.378 5.174 -5.048 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -12.135 7.183 -3.853 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -13.144 5.765 -3.478 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.934 6.332 -2.303 1.00 0.00 H new ATOM 1412 N TRP A 91 -9.074 6.054 -5.038 1.00 0.00 N ATOM 1413 CA TRP A 91 -7.744 6.641 -5.086 1.00 0.00 C ATOM 1414 C TRP A 91 -7.822 8.133 -5.375 1.00 0.00 C ATOM 1415 O TRP A 91 -8.549 8.567 -6.269 1.00 0.00 O ATOM 1416 CB TRP A 91 -6.893 5.947 -6.150 1.00 0.00 C ATOM 1417 CG TRP A 91 -7.509 5.976 -7.515 1.00 0.00 C ATOM 1418 CD1 TRP A 91 -8.228 4.978 -8.111 1.00 0.00 C ATOM 1419 CD2 TRP A 91 -7.463 7.054 -8.456 1.00 0.00 C ATOM 1420 NE1 TRP A 91 -8.631 5.372 -9.365 1.00 0.00 N ATOM 1421 CE2 TRP A 91 -8.174 6.643 -9.599 1.00 0.00 C ATOM 1422 CE3 TRP A 91 -6.890 8.330 -8.442 1.00 0.00 C ATOM 1423 CZ2 TRP A 91 -8.326 7.461 -10.715 1.00 0.00 C ATOM 1424 CZ3 TRP A 91 -7.042 9.140 -9.551 1.00 0.00 C ATOM 1425 CH2 TRP A 91 -7.755 8.703 -10.674 1.00 0.00 C ATOM 0 H TRP A 91 -9.438 5.758 -5.944 1.00 0.00 H new ATOM 0 HA TRP A 91 -7.277 6.500 -4.111 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -5.914 6.425 -6.191 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -6.730 4.910 -5.855 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -8.447 4.020 -7.663 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -9.180 4.810 -10.015 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -6.339 8.676 -7.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -8.875 7.127 -11.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -6.603 10.127 -9.552 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -7.856 9.360 -11.525 1.00 0.00 H new ATOM 1436 N GLN A 92 -7.068 8.913 -4.613 1.00 0.00 N ATOM 1437 CA GLN A 92 -7.051 10.360 -4.789 1.00 0.00 C ATOM 1438 C GLN A 92 -5.983 10.763 -5.802 1.00 0.00 C ATOM 1439 O GLN A 92 -4.982 10.067 -5.970 1.00 0.00 O ATOM 1440 CB GLN A 92 -6.794 11.056 -3.451 1.00 0.00 C ATOM 1441 CG GLN A 92 -7.936 10.909 -2.460 1.00 0.00 C ATOM 1442 CD GLN A 92 -7.495 11.131 -1.025 1.00 0.00 C ATOM 1443 OE1 GLN A 92 -7.879 10.385 -0.124 1.00 0.00 O ATOM 1444 NE2 GLN A 92 -6.686 12.160 -0.808 1.00 0.00 N ATOM 0 H GLN A 92 -6.461 8.570 -3.868 1.00 0.00 H new ATOM 0 HA GLN A 92 -8.025 10.671 -5.166 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -5.885 10.649 -3.008 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.614 12.116 -3.631 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -8.722 11.622 -2.709 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -8.368 9.912 -2.554 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -6.394 12.752 -1.586 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -6.357 12.359 0.137 1.00 0.00 H new ATOM 1453 N PRO A 93 -6.189 11.893 -6.497 1.00 0.00 N ATOM 1454 CA PRO A 93 -5.247 12.386 -7.505 1.00 0.00 C ATOM 1455 C PRO A 93 -3.804 12.370 -7.021 1.00 0.00 C ATOM 1456 O PRO A 93 -2.892 12.075 -7.793 1.00 0.00 O ATOM 1457 CB PRO A 93 -5.700 13.823 -7.731 1.00 0.00 C ATOM 1458 CG PRO A 93 -7.159 13.813 -7.433 1.00 0.00 C ATOM 1459 CD PRO A 93 -7.363 12.778 -6.358 1.00 0.00 C ATOM 0 HA PRO A 93 -5.255 11.764 -8.400 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.167 14.513 -7.077 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.508 14.142 -8.755 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.494 14.794 -7.097 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.736 13.567 -8.324 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.407 13.232 -5.368 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.295 12.232 -6.500 1.00 0.00 H new ATOM 1467 N ALA A 94 -3.609 12.701 -5.743 1.00 0.00 N ATOM 1468 CA ALA A 94 -2.277 12.741 -5.132 1.00 0.00 C ATOM 1469 C ALA A 94 -1.729 14.164 -5.120 1.00 0.00 C ATOM 1470 O ALA A 94 -0.536 14.383 -5.332 1.00 0.00 O ATOM 1471 CB ALA A 94 -1.300 11.812 -5.849 1.00 0.00 C ATOM 0 H ALA A 94 -4.365 12.948 -5.104 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.383 12.393 -4.104 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.324 11.869 -5.368 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.669 10.788 -5.800 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.208 12.115 -6.892 1.00 0.00 H new ATOM 1477 N GLU A 95 -2.607 15.130 -4.870 1.00 0.00 N ATOM 1478 CA GLU A 95 -2.209 16.532 -4.828 1.00 0.00 C ATOM 1479 C GLU A 95 -2.722 17.207 -3.561 1.00 0.00 C ATOM 1480 O GLU A 95 -1.985 17.927 -2.887 1.00 0.00 O ATOM 1481 CB GLU A 95 -2.736 17.270 -6.061 1.00 0.00 C ATOM 1482 CG GLU A 95 -1.897 18.475 -6.453 1.00 0.00 C ATOM 1483 CD GLU A 95 -1.969 18.777 -7.937 1.00 0.00 C ATOM 1484 OE1 GLU A 95 -3.043 19.215 -8.402 1.00 0.00 O ATOM 1485 OE2 GLU A 95 -0.951 18.579 -8.633 1.00 0.00 O ATOM 0 H GLU A 95 -3.598 14.967 -4.694 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.120 16.574 -4.824 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.775 16.576 -6.901 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.758 17.596 -5.870 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.235 19.346 -5.892 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.859 18.297 -6.172 1.00 0.00 H new ATOM 1492 N SER A 96 -3.990 16.970 -3.241 1.00 0.00 N ATOM 1493 CA SER A 96 -4.601 17.555 -2.054 1.00 0.00 C ATOM 1494 C SER A 96 -4.594 19.078 -2.132 1.00 0.00 C ATOM 1495 O SER A 96 -3.548 19.682 -1.812 1.00 0.00 O ATOM 1496 CB SER A 96 -3.864 17.093 -0.795 1.00 0.00 C ATOM 1497 OG SER A 96 -3.151 15.892 -1.032 1.00 0.00 O ATOM 1498 OXT SER A 96 -5.633 19.655 -2.515 1.00 0.00 O ATOM 0 H SER A 96 -4.614 16.377 -3.788 1.00 0.00 H new ATOM 0 HA SER A 96 -5.636 17.217 -2.005 1.00 0.00 H new ATOM 0 HB2 SER A 96 -3.174 17.871 -0.468 1.00 0.00 H new ATOM 0 HB3 SER A 96 -4.579 16.941 0.013 1.00 0.00 H new ATOM 0 HG SER A 96 -2.688 15.619 -0.213 1.00 0.00 H new TER 1504 SER A 96