USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 849 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 78 ASN : amide:sc= -0.483 X(o=-4.4,f=-4) USER MOD Set 1.2: A 92 ASN : amide:sc= -3.89! K(o=-4.4!,f=-2.8) USER MOD Set 2.1: A 55 GLN : amide:sc= -1.25 K(o=-1.2,f=-3.2!) USER MOD Set 2.2: A 59 GLN : amide:sc= 0 K(o=-1.2,f=-2.8) USER MOD Set 3.1: A 16 TYR OH : rot 30:sc= -1.68 USER MOD Set 3.2: A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 7 CYS SG : rot 140:sc= -1.14 USER MOD Set 4.2: A 101 GLN : amide:sc= -3.06 K(o=-4.2,f=0.19) USER MOD Single : A 4 THR OG1 : rot 30:sc= 0.0296 USER MOD Single : A 8 SER OG : rot -12:sc= 0.78! USER MOD Single : A 9 SER OG : rot 168:sc= -2.49! USER MOD Single : A 12 THR OG1 : rot 20:sc= 0.123 USER MOD Single : A 14 MET CE :methyl -131:sc= -0.498 (180deg=-1.47) USER MOD Single : A 20 ASN : amide:sc= -1.08 K(o=-1.1,f=-0.17) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.019 K(o=-0.019,f=0.52) USER MOD Single : A 34 SER OG : rot 96:sc= -5.1 USER MOD Single : A 37 GLN : amide:sc= -4.72! C(o=-4.7!,f=-2.7!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -2.45 K(o=-2.4,f=-1.1) USER MOD Single : A 41 ASN : amide:sc= -0.583 K(o=-0.58,f=-5.9!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0271 USER MOD Single : A 45 ASN : amide:sc= -0.424 X(o=-0.42,f=-0.11) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 141:sc= -0.412 (180deg=-0.504) USER MOD Single : A 54 MET CE :methyl -166:sc= -7.51! (180deg=-9.63!) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 63 ASN : amide:sc= -2.02 K(o=-2,f=-3.3) USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot -146:sc= 0.668 USER MOD Single : A 73 ASN : amide:sc= -0.0786 X(o=-0.079,f=-0.48) USER MOD Single : A 74 GLN : amide:sc= -2.88 K(o=-2.9,f=-1.9) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.102 USER MOD Single : A 80 HIS : no HE2:sc= -6.95! C(o=-7!,f=-8!) USER MOD Single : A 81 GLN : amide:sc= -2.53! C(o=-2.5!,f=-1.5!) USER MOD Single : A 87 GLN : amide:sc= -0.4 X(o=-0.4,f=-0.096) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl -122:sc= -11.5! (180deg=-15.9!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 4 12.238 9.419 4.464 1.00 0.00 N ATOM 47 CA THR A 4 12.067 9.980 3.130 1.00 0.00 C ATOM 48 C THR A 4 11.046 9.177 2.328 1.00 0.00 C ATOM 49 O THR A 4 11.196 7.968 2.150 1.00 0.00 O ATOM 50 CB THR A 4 13.410 10.005 2.394 1.00 0.00 C ATOM 51 OG1 THR A 4 14.322 10.870 3.046 1.00 0.00 O ATOM 52 CG2 THR A 4 13.302 10.455 0.952 1.00 0.00 C ATOM 0 HA THR A 4 11.696 11.000 3.233 1.00 0.00 H new ATOM 0 HB THR A 4 13.762 8.973 2.407 1.00 0.00 H new ATOM 0 HG1 THR A 4 14.128 10.887 4.006 1.00 0.00 H new ATOM 0 HG21 THR A 4 14.291 10.448 0.494 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.645 9.777 0.407 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.892 11.464 0.916 1.00 0.00 H new ATOM 60 N VAL A 5 10.012 9.857 1.840 1.00 0.00 N ATOM 61 CA VAL A 5 8.974 9.203 1.053 1.00 0.00 C ATOM 62 C VAL A 5 9.489 8.869 -0.346 1.00 0.00 C ATOM 63 O VAL A 5 10.403 9.521 -0.851 1.00 0.00 O ATOM 64 CB VAL A 5 7.706 10.081 0.947 1.00 0.00 C ATOM 65 CG1 VAL A 5 6.778 9.578 -0.148 1.00 0.00 C ATOM 66 CG2 VAL A 5 6.975 10.121 2.280 1.00 0.00 C ATOM 0 H VAL A 5 9.872 10.858 1.976 1.00 0.00 H new ATOM 0 HA VAL A 5 8.709 8.279 1.567 1.00 0.00 H new ATOM 0 HB VAL A 5 8.020 11.092 0.686 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.895 10.216 -0.198 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.298 9.602 -1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.474 8.555 0.074 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.085 10.743 2.188 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.683 9.110 2.566 1.00 0.00 H new ATOM 0 HG23 VAL A 5 7.632 10.538 3.043 1.00 0.00 H new ATOM 76 N ILE A 6 8.904 7.847 -0.963 1.00 0.00 N ATOM 77 CA ILE A 6 9.318 7.428 -2.298 1.00 0.00 C ATOM 78 C ILE A 6 8.333 7.885 -3.372 1.00 0.00 C ATOM 79 O ILE A 6 8.656 8.743 -4.194 1.00 0.00 O ATOM 80 CB ILE A 6 9.478 5.897 -2.400 1.00 0.00 C ATOM 81 CG1 ILE A 6 9.878 5.299 -1.047 1.00 0.00 C ATOM 82 CG2 ILE A 6 10.508 5.556 -3.465 1.00 0.00 C ATOM 83 CD1 ILE A 6 10.539 3.940 -1.144 1.00 0.00 C ATOM 0 H ILE A 6 8.145 7.296 -0.562 1.00 0.00 H new ATOM 0 HA ILE A 6 10.284 7.903 -2.468 1.00 0.00 H new ATOM 0 HB ILE A 6 8.520 5.463 -2.685 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.558 5.987 -0.544 1.00 0.00 H new ATOM 0 HG13 ILE A 6 8.989 5.215 -0.422 1.00 0.00 H new ATOM 0 HG21 ILE A 6 10.617 4.474 -3.533 1.00 0.00 H new ATOM 0 HG22 ILE A 6 10.180 5.949 -4.427 1.00 0.00 H new ATOM 0 HG23 ILE A 6 11.467 6.001 -3.200 1.00 0.00 H new ATOM 0 HD11 ILE A 6 10.791 3.586 -0.144 1.00 0.00 H new ATOM 0 HD12 ILE A 6 9.855 3.235 -1.616 1.00 0.00 H new ATOM 0 HD13 ILE A 6 11.448 4.019 -1.741 1.00 0.00 H new ATOM 95 N CYS A 7 7.140 7.294 -3.378 1.00 0.00 N ATOM 96 CA CYS A 7 6.129 7.634 -4.374 1.00 0.00 C ATOM 97 C CYS A 7 4.787 7.975 -3.731 1.00 0.00 C ATOM 98 O CYS A 7 4.660 8.009 -2.505 1.00 0.00 O ATOM 99 CB CYS A 7 5.959 6.474 -5.357 1.00 0.00 C ATOM 100 SG CYS A 7 6.517 6.846 -7.036 1.00 0.00 S ATOM 0 H CYS A 7 6.852 6.581 -2.708 1.00 0.00 H new ATOM 0 HA CYS A 7 6.472 8.521 -4.907 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.511 5.611 -4.984 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.907 6.190 -5.389 1.00 0.00 H new ATOM 0 HG CYS A 7 7.130 5.811 -7.529 1.00 0.00 H new ATOM 106 N SER A 8 3.788 8.232 -4.578 1.00 0.00 N ATOM 107 CA SER A 8 2.446 8.580 -4.112 1.00 0.00 C ATOM 108 C SER A 8 1.395 8.249 -5.169 1.00 0.00 C ATOM 109 O SER A 8 1.459 8.748 -6.292 1.00 0.00 O ATOM 110 CB SER A 8 2.378 10.072 -3.774 1.00 0.00 C ATOM 111 OG SER A 8 2.076 10.846 -4.924 1.00 0.00 O ATOM 0 H SER A 8 3.885 8.205 -5.593 1.00 0.00 H new ATOM 0 HA SER A 8 2.237 7.992 -3.218 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.619 10.240 -3.010 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.330 10.396 -3.354 1.00 0.00 H new ATOM 0 HG SER A 8 2.169 10.290 -5.726 1.00 0.00 H new ATOM 117 N SER A 9 0.429 7.408 -4.808 1.00 0.00 N ATOM 118 CA SER A 9 -0.628 7.026 -5.744 1.00 0.00 C ATOM 119 C SER A 9 -2.009 7.088 -5.093 1.00 0.00 C ATOM 120 O SER A 9 -2.140 6.980 -3.874 1.00 0.00 O ATOM 121 CB SER A 9 -0.371 5.619 -6.277 1.00 0.00 C ATOM 122 OG SER A 9 -1.360 5.241 -7.218 1.00 0.00 O ATOM 0 H SER A 9 0.355 6.981 -3.885 1.00 0.00 H new ATOM 0 HA SER A 9 -0.613 7.739 -6.568 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.613 5.578 -6.743 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.362 4.909 -5.450 1.00 0.00 H new ATOM 0 HG SER A 9 -1.077 4.425 -7.680 1.00 0.00 H new ATOM 128 N ARG A 10 -3.038 7.256 -5.924 1.00 0.00 N ATOM 129 CA ARG A 10 -4.417 7.324 -5.444 1.00 0.00 C ATOM 130 C ARG A 10 -5.101 5.966 -5.591 1.00 0.00 C ATOM 131 O ARG A 10 -5.075 5.357 -6.664 1.00 0.00 O ATOM 132 CB ARG A 10 -5.197 8.390 -6.217 1.00 0.00 C ATOM 133 CG ARG A 10 -6.657 8.497 -5.807 1.00 0.00 C ATOM 134 CD ARG A 10 -7.265 9.819 -6.247 1.00 0.00 C ATOM 135 NE ARG A 10 -7.836 9.739 -7.589 1.00 0.00 N ATOM 136 CZ ARG A 10 -9.026 9.204 -7.857 1.00 0.00 C ATOM 137 NH1 ARG A 10 -9.771 8.700 -6.881 1.00 0.00 N ATOM 138 NH2 ARG A 10 -9.471 9.174 -9.106 1.00 0.00 N ATOM 0 H ARG A 10 -2.941 7.348 -6.935 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.401 7.595 -4.388 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.716 9.357 -6.070 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.144 8.166 -7.282 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.220 7.673 -6.245 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.740 8.400 -4.725 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.040 10.115 -5.540 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.500 10.595 -6.224 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.292 10.115 -8.366 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.433 8.721 -5.919 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.681 8.292 -7.093 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.902 9.560 -9.859 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.382 8.765 -9.313 1.00 0.00 H new ATOM 152 N ALA A 11 -5.707 5.491 -4.507 1.00 0.00 N ATOM 153 CA ALA A 11 -6.383 4.201 -4.520 1.00 0.00 C ATOM 154 C ALA A 11 -7.180 3.984 -3.242 1.00 0.00 C ATOM 155 O ALA A 11 -7.256 4.865 -2.391 1.00 0.00 O ATOM 156 CB ALA A 11 -5.361 3.088 -4.699 1.00 0.00 C ATOM 0 H ALA A 11 -5.743 5.979 -3.612 1.00 0.00 H new ATOM 0 HA ALA A 11 -7.083 4.188 -5.356 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.870 2.124 -4.708 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.832 3.228 -5.642 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.647 3.113 -3.875 1.00 0.00 H new ATOM 162 N THR A 12 -7.769 2.802 -3.111 1.00 0.00 N ATOM 163 CA THR A 12 -8.558 2.467 -1.933 1.00 0.00 C ATOM 164 C THR A 12 -7.960 1.263 -1.218 1.00 0.00 C ATOM 165 O THR A 12 -8.214 0.118 -1.592 1.00 0.00 O ATOM 166 CB THR A 12 -10.006 2.174 -2.327 1.00 0.00 C ATOM 167 OG1 THR A 12 -10.566 3.270 -3.030 1.00 0.00 O ATOM 168 CG2 THR A 12 -10.901 1.883 -1.142 1.00 0.00 C ATOM 0 H THR A 12 -7.715 2.059 -3.807 1.00 0.00 H new ATOM 0 HA THR A 12 -8.544 3.321 -1.256 1.00 0.00 H new ATOM 0 HB THR A 12 -9.960 1.284 -2.955 1.00 0.00 H new ATOM 0 HG1 THR A 12 -9.847 3.834 -3.383 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.914 1.684 -1.491 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.524 1.012 -0.606 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.911 2.744 -0.473 1.00 0.00 H new ATOM 176 N VAL A 13 -7.160 1.526 -0.188 1.00 0.00 N ATOM 177 CA VAL A 13 -6.523 0.458 0.573 1.00 0.00 C ATOM 178 C VAL A 13 -7.534 -0.612 0.972 1.00 0.00 C ATOM 179 O VAL A 13 -8.724 -0.337 1.126 1.00 0.00 O ATOM 180 CB VAL A 13 -5.807 1.004 1.829 1.00 0.00 C ATOM 181 CG1 VAL A 13 -5.427 -0.123 2.781 1.00 0.00 C ATOM 182 CG2 VAL A 13 -4.572 1.798 1.428 1.00 0.00 C ATOM 0 H VAL A 13 -6.939 2.467 0.137 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.774 0.006 -0.077 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.498 1.665 2.351 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.925 0.293 3.655 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.327 -0.652 3.096 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.757 -0.817 2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.077 2.177 2.322 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.886 1.152 0.880 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.867 2.634 0.795 1.00 0.00 H new ATOM 192 N MET A 14 -7.042 -1.833 1.126 1.00 0.00 N ATOM 193 CA MET A 14 -7.884 -2.961 1.494 1.00 0.00 C ATOM 194 C MET A 14 -7.078 -4.004 2.259 1.00 0.00 C ATOM 195 O MET A 14 -5.904 -4.218 1.972 1.00 0.00 O ATOM 196 CB MET A 14 -8.499 -3.604 0.243 1.00 0.00 C ATOM 197 CG MET A 14 -9.785 -4.355 0.533 1.00 0.00 C ATOM 198 SD MET A 14 -10.962 -4.281 -0.831 1.00 0.00 S ATOM 199 CE MET A 14 -12.494 -4.028 0.060 1.00 0.00 C ATOM 0 H MET A 14 -6.057 -2.068 1.001 1.00 0.00 H new ATOM 0 HA MET A 14 -8.684 -2.590 2.134 1.00 0.00 H new ATOM 0 HB2 MET A 14 -8.697 -2.829 -0.497 1.00 0.00 H new ATOM 0 HB3 MET A 14 -7.776 -4.290 -0.199 1.00 0.00 H new ATOM 0 HG2 MET A 14 -9.551 -5.398 0.748 1.00 0.00 H new ATOM 0 HG3 MET A 14 -10.248 -3.941 1.429 1.00 0.00 H new ATOM 0 HE1 MET A 14 -13.243 -4.734 -0.297 1.00 0.00 H new ATOM 0 HE2 MET A 14 -12.326 -4.185 1.125 1.00 0.00 H new ATOM 0 HE3 MET A 14 -12.847 -3.010 -0.105 1.00 0.00 H new ATOM 209 N LEU A 15 -7.714 -4.656 3.224 1.00 0.00 N ATOM 210 CA LEU A 15 -7.047 -5.687 4.015 1.00 0.00 C ATOM 211 C LEU A 15 -7.793 -7.010 3.891 1.00 0.00 C ATOM 212 O LEU A 15 -8.949 -7.119 4.295 1.00 0.00 O ATOM 213 CB LEU A 15 -6.954 -5.266 5.486 1.00 0.00 C ATOM 214 CG LEU A 15 -5.558 -4.851 5.963 1.00 0.00 C ATOM 215 CD1 LEU A 15 -5.521 -4.746 7.480 1.00 0.00 C ATOM 216 CD2 LEU A 15 -4.505 -5.834 5.474 1.00 0.00 C ATOM 0 H LEU A 15 -8.688 -4.491 3.479 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.035 -5.815 3.630 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.639 -4.434 5.652 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.300 -6.093 6.106 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.333 -3.871 5.542 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.522 -4.450 7.800 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.244 -4.000 7.811 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.771 -5.712 7.918 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.522 -5.519 5.825 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.727 -6.828 5.862 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.510 -5.860 4.384 1.00 0.00 H new ATOM 228 N TYR A 16 -7.132 -8.007 3.319 1.00 0.00 N ATOM 229 CA TYR A 16 -7.747 -9.316 3.129 1.00 0.00 C ATOM 230 C TYR A 16 -7.697 -10.159 4.395 1.00 0.00 C ATOM 231 O TYR A 16 -6.700 -10.163 5.119 1.00 0.00 O ATOM 232 CB TYR A 16 -7.059 -10.069 1.993 1.00 0.00 C ATOM 233 CG TYR A 16 -7.918 -11.144 1.373 1.00 0.00 C ATOM 234 CD1 TYR A 16 -8.784 -10.849 0.327 1.00 0.00 C ATOM 235 CD2 TYR A 16 -7.862 -12.453 1.834 1.00 0.00 C ATOM 236 CE1 TYR A 16 -9.571 -11.830 -0.244 1.00 0.00 C ATOM 237 CE2 TYR A 16 -8.645 -13.441 1.270 1.00 0.00 C ATOM 238 CZ TYR A 16 -9.499 -13.125 0.231 1.00 0.00 C ATOM 239 OH TYR A 16 -10.281 -14.105 -0.335 1.00 0.00 O ATOM 0 H TYR A 16 -6.173 -7.936 2.979 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.793 -9.143 2.877 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.768 -9.357 1.220 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.142 -10.521 2.371 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.843 -9.837 -0.045 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -7.196 -12.702 2.646 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.239 -11.586 -1.057 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.590 -14.455 1.639 1.00 0.00 H new ATOM 0 HH TYR A 16 -10.441 -13.892 -1.278 1.00 0.00 H new ATOM 249 N ASP A 17 -8.777 -10.891 4.635 1.00 0.00 N ATOM 250 CA ASP A 17 -8.874 -11.771 5.789 1.00 0.00 C ATOM 251 C ASP A 17 -9.014 -13.215 5.320 1.00 0.00 C ATOM 252 O ASP A 17 -10.124 -13.730 5.189 1.00 0.00 O ATOM 253 CB ASP A 17 -10.070 -11.379 6.660 1.00 0.00 C ATOM 254 CG ASP A 17 -9.674 -10.477 7.813 1.00 0.00 C ATOM 255 OD1 ASP A 17 -9.417 -9.279 7.569 1.00 0.00 O ATOM 256 OD2 ASP A 17 -9.623 -10.968 8.959 1.00 0.00 O ATOM 0 H ASP A 17 -9.605 -10.891 4.039 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.968 -11.674 6.387 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.814 -10.872 6.045 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.541 -12.280 7.052 1.00 0.00 H new ATOM 261 N ASP A 18 -7.880 -13.857 5.049 1.00 0.00 N ATOM 262 CA ASP A 18 -7.877 -15.237 4.572 1.00 0.00 C ATOM 263 C ASP A 18 -8.708 -16.146 5.475 1.00 0.00 C ATOM 264 O ASP A 18 -9.187 -17.193 5.039 1.00 0.00 O ATOM 265 CB ASP A 18 -6.444 -15.761 4.473 1.00 0.00 C ATOM 266 CG ASP A 18 -5.906 -15.703 3.057 1.00 0.00 C ATOM 267 OD1 ASP A 18 -6.099 -14.663 2.390 1.00 0.00 O ATOM 268 OD2 ASP A 18 -5.292 -16.696 2.614 1.00 0.00 O ATOM 0 H ASP A 18 -6.953 -13.444 5.151 1.00 0.00 H new ATOM 0 HA ASP A 18 -8.331 -15.245 3.581 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.799 -15.175 5.128 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.411 -16.790 4.830 1.00 0.00 H new ATOM 273 N GLY A 19 -8.885 -15.740 6.730 1.00 0.00 N ATOM 274 CA GLY A 19 -9.669 -16.534 7.660 1.00 0.00 C ATOM 275 C GLY A 19 -11.007 -16.947 7.077 1.00 0.00 C ATOM 276 O GLY A 19 -11.562 -17.983 7.442 1.00 0.00 O ATOM 0 H GLY A 19 -8.501 -14.878 7.118 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.106 -17.425 7.939 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.834 -15.962 8.573 1.00 0.00 H new ATOM 280 N ASN A 20 -11.520 -16.132 6.159 1.00 0.00 N ATOM 281 CA ASN A 20 -12.796 -16.410 5.510 1.00 0.00 C ATOM 282 C ASN A 20 -12.761 -16.000 4.037 1.00 0.00 C ATOM 283 O ASN A 20 -13.804 -15.864 3.397 1.00 0.00 O ATOM 284 CB ASN A 20 -13.927 -15.672 6.229 1.00 0.00 C ATOM 285 CG ASN A 20 -14.307 -16.335 7.539 1.00 0.00 C ATOM 286 OD1 ASN A 20 -15.341 -16.994 7.638 1.00 0.00 O ATOM 287 ND2 ASN A 20 -13.467 -16.161 8.554 1.00 0.00 N ATOM 0 H ASN A 20 -11.069 -15.272 5.848 1.00 0.00 H new ATOM 0 HA ASN A 20 -12.977 -17.483 5.565 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -13.622 -14.643 6.420 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -14.801 -15.630 5.579 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -13.669 -16.582 9.461 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -12.621 -15.606 8.426 1.00 0.00 H new ATOM 294 N LYS A 21 -11.554 -15.805 3.504 1.00 0.00 N ATOM 295 CA LYS A 21 -11.380 -15.411 2.108 1.00 0.00 C ATOM 296 C LYS A 21 -12.295 -14.244 1.743 1.00 0.00 C ATOM 297 O LYS A 21 -13.407 -14.441 1.255 1.00 0.00 O ATOM 298 CB LYS A 21 -11.648 -16.601 1.184 1.00 0.00 C ATOM 299 CG LYS A 21 -10.412 -17.084 0.442 1.00 0.00 C ATOM 300 CD LYS A 21 -10.557 -16.911 -1.062 1.00 0.00 C ATOM 301 CE LYS A 21 -9.202 -16.874 -1.750 1.00 0.00 C ATOM 302 NZ LYS A 21 -9.213 -15.997 -2.954 1.00 0.00 N ATOM 0 H LYS A 21 -10.681 -15.914 4.021 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.348 -15.084 1.978 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.053 -17.424 1.773 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.412 -16.322 0.458 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.539 -16.531 0.790 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.236 -18.135 0.672 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.151 -17.730 -1.468 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.099 -15.989 -1.273 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.448 -16.517 -1.048 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.915 -17.885 -2.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.271 -15.999 -3.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.914 -16.352 -3.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.462 -15.027 -2.674 1.00 0.00 H new ATOM 316 N ARG A 22 -11.815 -13.027 1.983 1.00 0.00 N ATOM 317 CA ARG A 22 -12.584 -11.824 1.680 1.00 0.00 C ATOM 318 C ARG A 22 -11.834 -10.574 2.134 1.00 0.00 C ATOM 319 O ARG A 22 -11.181 -10.576 3.176 1.00 0.00 O ATOM 320 CB ARG A 22 -13.954 -11.882 2.359 1.00 0.00 C ATOM 321 CG ARG A 22 -13.891 -12.320 3.815 1.00 0.00 C ATOM 322 CD ARG A 22 -14.529 -11.296 4.743 1.00 0.00 C ATOM 323 NE ARG A 22 -15.727 -11.820 5.396 1.00 0.00 N ATOM 324 CZ ARG A 22 -16.905 -11.946 4.790 1.00 0.00 C ATOM 325 NH1 ARG A 22 -17.049 -11.588 3.520 1.00 0.00 N ATOM 326 NH2 ARG A 22 -17.943 -12.432 5.457 1.00 0.00 N ATOM 0 H ARG A 22 -10.896 -12.848 2.387 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.724 -11.775 0.600 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.420 -10.898 2.303 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.595 -12.570 1.808 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.398 -13.278 3.928 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -12.851 -12.473 4.103 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.806 -10.993 5.501 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.787 -10.403 4.174 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.656 -12.106 6.373 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.254 -11.214 3.002 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -17.955 -11.687 3.062 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.838 -12.709 6.433 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -18.847 -12.529 4.994 1.00 0.00 H new ATOM 340 N TRP A 23 -11.934 -9.508 1.345 1.00 0.00 N ATOM 341 CA TRP A 23 -11.265 -8.255 1.673 1.00 0.00 C ATOM 342 C TRP A 23 -11.775 -7.696 2.996 1.00 0.00 C ATOM 343 O TRP A 23 -12.618 -8.302 3.658 1.00 0.00 O ATOM 344 CB TRP A 23 -11.483 -7.222 0.566 1.00 0.00 C ATOM 345 CG TRP A 23 -10.619 -7.439 -0.641 1.00 0.00 C ATOM 346 CD1 TRP A 23 -11.047 -7.628 -1.918 1.00 0.00 C ATOM 347 CD2 TRP A 23 -9.187 -7.479 -0.691 1.00 0.00 C ATOM 348 NE1 TRP A 23 -9.978 -7.804 -2.759 1.00 0.00 N ATOM 349 CE2 TRP A 23 -8.825 -7.713 -2.031 1.00 0.00 C ATOM 350 CE3 TRP A 23 -8.175 -7.347 0.263 1.00 0.00 C ATOM 351 CZ2 TRP A 23 -7.498 -7.816 -2.439 1.00 0.00 C ATOM 352 CZ3 TRP A 23 -6.858 -7.447 -0.144 1.00 0.00 C ATOM 353 CH2 TRP A 23 -6.532 -7.681 -1.485 1.00 0.00 C ATOM 0 H TRP A 23 -12.470 -9.487 0.477 1.00 0.00 H new ATOM 0 HA TRP A 23 -10.199 -8.463 1.765 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -12.529 -7.244 0.261 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -11.289 -6.227 0.967 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -12.082 -7.638 -2.226 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -10.034 -7.975 -3.763 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -8.418 -7.170 1.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -7.243 -7.996 -3.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -6.068 -7.343 0.584 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -5.493 -7.756 -1.771 1.00 0.00 H new ATOM 364 N LEU A 24 -11.258 -6.533 3.370 1.00 0.00 N ATOM 365 CA LEU A 24 -11.653 -5.874 4.607 1.00 0.00 C ATOM 366 C LEU A 24 -10.949 -4.523 4.734 1.00 0.00 C ATOM 367 O LEU A 24 -9.726 -4.465 4.860 1.00 0.00 O ATOM 368 CB LEU A 24 -11.324 -6.760 5.813 1.00 0.00 C ATOM 369 CG LEU A 24 -12.536 -7.362 6.528 1.00 0.00 C ATOM 370 CD1 LEU A 24 -12.103 -8.080 7.797 1.00 0.00 C ATOM 371 CD2 LEU A 24 -13.559 -6.283 6.849 1.00 0.00 C ATOM 0 H LEU A 24 -10.559 -6.024 2.829 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.730 -5.707 4.583 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.677 -7.572 5.481 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.754 -6.171 6.531 1.00 0.00 H new ATOM 0 HG LEU A 24 -13.001 -8.088 5.862 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -12.977 -8.502 8.293 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.408 -8.881 7.543 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.613 -7.373 8.466 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -14.413 -6.731 7.357 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.105 -5.532 7.496 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.893 -5.812 5.925 1.00 0.00 H new ATOM 383 N PRO A 25 -11.713 -3.415 4.692 1.00 0.00 N ATOM 384 CA PRO A 25 -11.157 -2.062 4.794 1.00 0.00 C ATOM 385 C PRO A 25 -10.050 -1.952 5.837 1.00 0.00 C ATOM 386 O PRO A 25 -10.319 -1.835 7.034 1.00 0.00 O ATOM 387 CB PRO A 25 -12.371 -1.232 5.203 1.00 0.00 C ATOM 388 CG PRO A 25 -13.525 -1.922 4.563 1.00 0.00 C ATOM 389 CD PRO A 25 -13.181 -3.392 4.536 1.00 0.00 C ATOM 0 HA PRO A 25 -10.685 -1.739 3.866 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.481 -1.196 6.287 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -12.283 -0.202 4.857 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -14.442 -1.748 5.126 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -13.693 -1.544 3.555 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.677 -3.933 5.342 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -13.491 -3.858 3.601 1.00 0.00 H new ATOM 397 N ALA A 26 -8.801 -1.990 5.373 1.00 0.00 N ATOM 398 CA ALA A 26 -7.642 -1.895 6.256 1.00 0.00 C ATOM 399 C ALA A 26 -7.821 -0.801 7.306 1.00 0.00 C ATOM 400 O ALA A 26 -7.455 -0.976 8.468 1.00 0.00 O ATOM 401 CB ALA A 26 -6.382 -1.641 5.445 1.00 0.00 C ATOM 0 H ALA A 26 -8.567 -2.086 4.385 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.547 -2.846 6.780 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.525 -1.572 6.116 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.229 -2.461 4.744 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.487 -0.707 4.893 1.00 0.00 H new ATOM 407 N GLY A 27 -8.385 0.324 6.887 1.00 0.00 N ATOM 408 CA GLY A 27 -8.604 1.431 7.800 1.00 0.00 C ATOM 409 C GLY A 27 -9.440 1.035 9.001 1.00 0.00 C ATOM 410 O GLY A 27 -8.941 0.403 9.932 1.00 0.00 O ATOM 0 H GLY A 27 -8.696 0.491 5.930 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.642 1.813 8.141 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.099 2.244 7.269 1.00 0.00 H new ATOM 414 N THR A 28 -10.716 1.406 8.980 1.00 0.00 N ATOM 415 CA THR A 28 -11.624 1.081 10.076 1.00 0.00 C ATOM 416 C THR A 28 -12.940 0.528 9.545 1.00 0.00 C ATOM 417 O THR A 28 -13.444 -0.483 10.034 1.00 0.00 O ATOM 418 CB THR A 28 -11.884 2.318 10.939 1.00 0.00 C ATOM 419 OG1 THR A 28 -12.927 2.073 11.865 1.00 0.00 O ATOM 420 CG2 THR A 28 -12.262 3.545 10.136 1.00 0.00 C ATOM 0 H THR A 28 -11.145 1.931 8.218 1.00 0.00 H new ATOM 0 HA THR A 28 -11.151 0.315 10.690 1.00 0.00 H new ATOM 0 HB THR A 28 -10.941 2.516 11.448 1.00 0.00 H new ATOM 0 HG1 THR A 28 -13.077 2.875 12.408 1.00 0.00 H new ATOM 0 HG21 THR A 28 -12.432 4.384 10.811 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.454 3.792 9.447 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.172 3.344 9.571 1.00 0.00 H new ATOM 428 N GLY A 29 -13.489 1.196 8.539 1.00 0.00 N ATOM 429 CA GLY A 29 -14.741 0.761 7.950 1.00 0.00 C ATOM 430 C GLY A 29 -15.070 1.525 6.684 1.00 0.00 C ATOM 431 O GLY A 29 -15.080 0.952 5.595 1.00 0.00 O ATOM 0 H GLY A 29 -13.088 2.035 8.119 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -14.685 -0.304 7.726 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.546 0.893 8.672 1.00 0.00 H new ATOM 435 N PRO A 30 -15.338 2.836 6.797 1.00 0.00 N ATOM 436 CA PRO A 30 -15.661 3.680 5.645 1.00 0.00 C ATOM 437 C PRO A 30 -14.604 3.586 4.551 1.00 0.00 C ATOM 438 O PRO A 30 -13.486 3.129 4.792 1.00 0.00 O ATOM 439 CB PRO A 30 -15.699 5.103 6.227 1.00 0.00 C ATOM 440 CG PRO A 30 -15.091 5.002 7.585 1.00 0.00 C ATOM 441 CD PRO A 30 -15.342 3.598 8.051 1.00 0.00 C ATOM 0 HA PRO A 30 -16.597 3.378 5.174 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -15.141 5.797 5.599 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -16.722 5.476 6.283 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -14.023 5.216 7.550 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -15.539 5.725 8.267 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -14.567 3.254 8.736 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -16.293 3.509 8.576 1.00 0.00 H new ATOM 449 N GLN A 31 -14.961 4.026 3.347 1.00 0.00 N ATOM 450 CA GLN A 31 -14.038 3.992 2.220 1.00 0.00 C ATOM 451 C GLN A 31 -14.195 5.231 1.345 1.00 0.00 C ATOM 452 O GLN A 31 -15.308 5.694 1.097 1.00 0.00 O ATOM 453 CB GLN A 31 -14.260 2.733 1.380 1.00 0.00 C ATOM 454 CG GLN A 31 -13.918 1.444 2.111 1.00 0.00 C ATOM 455 CD GLN A 31 -14.969 0.369 1.922 1.00 0.00 C ATOM 456 OE1 GLN A 31 -15.739 0.070 2.835 1.00 0.00 O ATOM 457 NE2 GLN A 31 -15.005 -0.219 0.732 1.00 0.00 N ATOM 0 H GLN A 31 -15.881 4.409 3.129 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.025 3.977 2.622 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.303 2.696 1.065 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.656 2.799 0.475 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -12.957 1.073 1.755 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -13.805 1.653 3.175 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.347 0.061 0.005 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -15.691 -0.951 0.545 1.00 0.00 H new ATOM 466 N ALA A 32 -13.069 5.759 0.882 1.00 0.00 N ATOM 467 CA ALA A 32 -13.063 6.942 0.033 1.00 0.00 C ATOM 468 C ALA A 32 -11.667 7.186 -0.522 1.00 0.00 C ATOM 469 O ALA A 32 -11.166 8.311 -0.510 1.00 0.00 O ATOM 470 CB ALA A 32 -13.551 8.155 0.809 1.00 0.00 C ATOM 0 H ALA A 32 -12.142 5.383 1.082 1.00 0.00 H new ATOM 0 HA ALA A 32 -13.742 6.775 -0.803 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.540 9.031 0.160 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.567 7.977 1.161 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -12.896 8.328 1.663 1.00 0.00 H new ATOM 476 N PHE A 33 -11.041 6.116 -0.996 1.00 0.00 N ATOM 477 CA PHE A 33 -9.692 6.191 -1.547 1.00 0.00 C ATOM 478 C PHE A 33 -8.730 6.805 -0.539 1.00 0.00 C ATOM 479 O PHE A 33 -9.140 7.272 0.523 1.00 0.00 O ATOM 480 CB PHE A 33 -9.674 7.005 -2.840 1.00 0.00 C ATOM 481 CG PHE A 33 -10.135 6.230 -4.039 1.00 0.00 C ATOM 482 CD1 PHE A 33 -11.483 5.999 -4.257 1.00 0.00 C ATOM 483 CD2 PHE A 33 -9.217 5.730 -4.946 1.00 0.00 C ATOM 484 CE1 PHE A 33 -11.906 5.282 -5.360 1.00 0.00 C ATOM 485 CE2 PHE A 33 -9.632 5.013 -6.049 1.00 0.00 C ATOM 486 CZ PHE A 33 -10.979 4.788 -6.257 1.00 0.00 C ATOM 0 H PHE A 33 -11.448 5.181 -1.010 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.369 5.174 -1.769 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -10.310 7.882 -2.717 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.662 7.367 -3.018 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -12.211 6.383 -3.558 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.163 5.903 -4.788 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -12.960 5.108 -5.520 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.905 4.628 -6.749 1.00 0.00 H new ATOM 0 HZ PHE A 33 -11.307 4.227 -7.120 1.00 0.00 H new ATOM 496 N SER A 34 -7.451 6.799 -0.884 1.00 0.00 N ATOM 497 CA SER A 34 -6.423 7.351 -0.014 1.00 0.00 C ATOM 498 C SER A 34 -5.109 7.506 -0.767 1.00 0.00 C ATOM 499 O SER A 34 -4.820 6.752 -1.696 1.00 0.00 O ATOM 500 CB SER A 34 -6.211 6.444 1.202 1.00 0.00 C ATOM 501 OG SER A 34 -7.426 6.224 1.896 1.00 0.00 O ATOM 0 H SER A 34 -7.100 6.417 -1.762 1.00 0.00 H new ATOM 0 HA SER A 34 -6.756 8.333 0.323 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.796 5.489 0.879 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.482 6.897 1.874 1.00 0.00 H new ATOM 0 HG SER A 34 -7.825 5.380 1.597 1.00 0.00 H new ATOM 507 N ARG A 35 -4.308 8.477 -0.349 1.00 0.00 N ATOM 508 CA ARG A 35 -3.016 8.717 -0.973 1.00 0.00 C ATOM 509 C ARG A 35 -1.932 7.970 -0.212 1.00 0.00 C ATOM 510 O ARG A 35 -1.466 8.429 0.831 1.00 0.00 O ATOM 511 CB ARG A 35 -2.701 10.212 -1.007 1.00 0.00 C ATOM 512 CG ARG A 35 -1.921 10.637 -2.240 1.00 0.00 C ATOM 513 CD ARG A 35 -2.843 11.143 -3.338 1.00 0.00 C ATOM 514 NE ARG A 35 -2.445 12.462 -3.823 1.00 0.00 N ATOM 515 CZ ARG A 35 -1.455 12.666 -4.690 1.00 0.00 C ATOM 516 NH1 ARG A 35 -0.758 11.642 -5.167 1.00 0.00 N ATOM 517 NH2 ARG A 35 -1.158 13.898 -5.079 1.00 0.00 N ATOM 0 H ARG A 35 -4.531 9.110 0.419 1.00 0.00 H new ATOM 0 HA ARG A 35 -3.051 8.353 -2.000 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.634 10.773 -0.965 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.130 10.476 -0.117 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.211 11.419 -1.971 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.340 9.794 -2.612 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.841 10.436 -4.168 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.865 11.189 -2.961 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.955 13.275 -3.477 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.979 10.692 -4.870 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.001 11.805 -5.831 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.688 14.690 -4.714 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.400 14.054 -5.743 1.00 0.00 H new ATOM 531 N VAL A 36 -1.553 6.807 -0.726 1.00 0.00 N ATOM 532 CA VAL A 36 -0.542 5.986 -0.077 1.00 0.00 C ATOM 533 C VAL A 36 0.836 6.192 -0.688 1.00 0.00 C ATOM 534 O VAL A 36 1.054 5.938 -1.873 1.00 0.00 O ATOM 535 CB VAL A 36 -0.899 4.490 -0.137 1.00 0.00 C ATOM 536 CG1 VAL A 36 0.078 3.674 0.696 1.00 0.00 C ATOM 537 CG2 VAL A 36 -2.326 4.264 0.339 1.00 0.00 C ATOM 0 H VAL A 36 -1.930 6.413 -1.588 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.517 6.306 0.965 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.825 4.159 -1.173 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.190 2.619 0.642 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.088 3.812 0.311 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.037 4.006 1.733 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.562 3.201 0.290 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.426 4.611 1.368 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.014 4.818 -0.299 1.00 0.00 H new ATOM 547 N GLN A 37 1.764 6.637 0.146 1.00 0.00 N ATOM 548 CA GLN A 37 3.137 6.869 -0.272 1.00 0.00 C ATOM 549 C GLN A 37 4.045 5.823 0.359 1.00 0.00 C ATOM 550 O GLN A 37 3.635 5.113 1.279 1.00 0.00 O ATOM 551 CB GLN A 37 3.576 8.275 0.131 1.00 0.00 C ATOM 552 CG GLN A 37 2.843 9.370 -0.623 1.00 0.00 C ATOM 553 CD GLN A 37 3.450 10.743 -0.413 1.00 0.00 C ATOM 554 OE1 GLN A 37 3.085 11.460 0.518 1.00 0.00 O ATOM 555 NE2 GLN A 37 4.383 11.118 -1.282 1.00 0.00 N ATOM 0 H GLN A 37 1.587 6.847 1.128 1.00 0.00 H new ATOM 0 HA GLN A 37 3.205 6.786 -1.357 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.412 8.407 1.200 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.647 8.378 -0.043 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.848 9.136 -1.688 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.801 9.387 -0.305 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.656 10.492 -2.039 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.826 12.032 -1.191 1.00 0.00 H new ATOM 564 N ILE A 38 5.273 5.720 -0.128 1.00 0.00 N ATOM 565 CA ILE A 38 6.211 4.748 0.411 1.00 0.00 C ATOM 566 C ILE A 38 7.317 5.446 1.180 1.00 0.00 C ATOM 567 O ILE A 38 7.654 6.592 0.894 1.00 0.00 O ATOM 568 CB ILE A 38 6.818 3.870 -0.702 1.00 0.00 C ATOM 569 CG1 ILE A 38 5.700 3.173 -1.479 1.00 0.00 C ATOM 570 CG2 ILE A 38 7.783 2.845 -0.115 1.00 0.00 C ATOM 571 CD1 ILE A 38 6.202 2.280 -2.588 1.00 0.00 C ATOM 0 H ILE A 38 5.640 6.292 -0.888 1.00 0.00 H new ATOM 0 HA ILE A 38 5.657 4.100 1.090 1.00 0.00 H new ATOM 0 HB ILE A 38 7.379 4.507 -1.385 1.00 0.00 H new ATOM 0 HG12 ILE A 38 5.104 2.579 -0.787 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.038 3.928 -1.903 1.00 0.00 H new ATOM 0 HG21 ILE A 38 8.200 2.236 -0.917 1.00 0.00 H new ATOM 0 HG22 ILE A 38 8.590 3.361 0.405 1.00 0.00 H new ATOM 0 HG23 ILE A 38 7.250 2.204 0.587 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.355 1.819 -3.096 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.774 2.873 -3.302 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.840 1.503 -2.168 1.00 0.00 H new ATOM 583 N TYR A 39 7.872 4.756 2.166 1.00 0.00 N ATOM 584 CA TYR A 39 8.932 5.323 2.982 1.00 0.00 C ATOM 585 C TYR A 39 10.253 4.606 2.750 1.00 0.00 C ATOM 586 O TYR A 39 10.384 3.412 3.026 1.00 0.00 O ATOM 587 CB TYR A 39 8.544 5.260 4.457 1.00 0.00 C ATOM 588 CG TYR A 39 7.786 6.479 4.918 1.00 0.00 C ATOM 589 CD1 TYR A 39 6.618 6.877 4.278 1.00 0.00 C ATOM 590 CD2 TYR A 39 8.247 7.244 5.979 1.00 0.00 C ATOM 591 CE1 TYR A 39 5.929 7.999 4.685 1.00 0.00 C ATOM 592 CE2 TYR A 39 7.565 8.371 6.393 1.00 0.00 C ATOM 593 CZ TYR A 39 6.407 8.746 5.744 1.00 0.00 C ATOM 594 OH TYR A 39 5.725 9.868 6.152 1.00 0.00 O ATOM 0 H TYR A 39 7.605 3.804 2.419 1.00 0.00 H new ATOM 0 HA TYR A 39 9.065 6.365 2.691 1.00 0.00 H new ATOM 0 HB2 TYR A 39 7.934 4.373 4.629 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.445 5.150 5.060 1.00 0.00 H new ATOM 0 HD1 TYR A 39 6.244 6.297 3.447 1.00 0.00 H new ATOM 0 HD2 TYR A 39 9.153 6.954 6.489 1.00 0.00 H new ATOM 0 HE1 TYR A 39 5.021 8.292 4.179 1.00 0.00 H new ATOM 0 HE2 TYR A 39 7.937 8.956 7.221 1.00 0.00 H new ATOM 0 HH TYR A 39 6.193 10.278 6.909 1.00 0.00 H new ATOM 604 N HIS A 40 11.231 5.347 2.243 1.00 0.00 N ATOM 605 CA HIS A 40 12.548 4.795 1.970 1.00 0.00 C ATOM 606 C HIS A 40 13.483 5.025 3.153 1.00 0.00 C ATOM 607 O HIS A 40 14.152 6.055 3.237 1.00 0.00 O ATOM 608 CB HIS A 40 13.134 5.421 0.702 1.00 0.00 C ATOM 609 CG HIS A 40 14.425 4.801 0.264 1.00 0.00 C ATOM 610 ND1 HIS A 40 14.898 4.883 -1.029 1.00 0.00 N ATOM 611 CD2 HIS A 40 15.345 4.085 0.954 1.00 0.00 C ATOM 612 CE1 HIS A 40 16.051 4.244 -1.116 1.00 0.00 C ATOM 613 NE2 HIS A 40 16.344 3.752 0.074 1.00 0.00 N ATOM 0 H HIS A 40 11.134 6.336 2.012 1.00 0.00 H new ATOM 0 HA HIS A 40 12.445 3.721 1.816 1.00 0.00 H new ATOM 0 HB2 HIS A 40 12.407 5.333 -0.105 1.00 0.00 H new ATOM 0 HB3 HIS A 40 13.293 6.486 0.873 1.00 0.00 H new ATOM 0 HD2 HIS A 40 15.301 3.825 2.001 1.00 0.00 H new ATOM 0 HE1 HIS A 40 16.651 4.141 -2.008 1.00 0.00 H new ATOM 0 HE2 HIS A 40 17.178 3.212 0.302 1.00 0.00 H new ATOM 622 N ASN A 41 13.514 4.059 4.065 1.00 0.00 N ATOM 623 CA ASN A 41 14.361 4.142 5.250 1.00 0.00 C ATOM 624 C ASN A 41 15.598 3.263 5.097 1.00 0.00 C ATOM 625 O ASN A 41 15.601 2.108 5.519 1.00 0.00 O ATOM 626 CB ASN A 41 13.581 3.710 6.490 1.00 0.00 C ATOM 627 CG ASN A 41 12.244 4.413 6.611 1.00 0.00 C ATOM 628 OD1 ASN A 41 11.886 5.239 5.771 1.00 0.00 O ATOM 629 ND2 ASN A 41 11.494 4.085 7.658 1.00 0.00 N ATOM 0 H ASN A 41 12.959 3.205 4.006 1.00 0.00 H new ATOM 0 HA ASN A 41 14.678 5.179 5.364 1.00 0.00 H new ATOM 0 HB2 ASN A 41 13.419 2.633 6.456 1.00 0.00 H new ATOM 0 HB3 ASN A 41 14.177 3.915 7.379 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.582 4.523 7.790 1.00 0.00 H new ATOM 0 HD22 ASN A 41 11.830 3.395 8.330 1.00 0.00 H new ATOM 636 N PRO A 42 16.672 3.796 4.491 1.00 0.00 N ATOM 637 CA PRO A 42 17.912 3.045 4.293 1.00 0.00 C ATOM 638 C PRO A 42 18.733 2.925 5.572 1.00 0.00 C ATOM 639 O PRO A 42 19.588 2.048 5.690 1.00 0.00 O ATOM 640 CB PRO A 42 18.658 3.879 3.259 1.00 0.00 C ATOM 641 CG PRO A 42 18.204 5.274 3.515 1.00 0.00 C ATOM 642 CD PRO A 42 16.767 5.168 3.953 1.00 0.00 C ATOM 0 HA PRO A 42 17.723 2.017 3.984 1.00 0.00 H new ATOM 0 HB2 PRO A 42 19.738 3.784 3.375 1.00 0.00 H new ATOM 0 HB3 PRO A 42 18.418 3.562 2.244 1.00 0.00 H new ATOM 0 HG2 PRO A 42 18.813 5.748 4.285 1.00 0.00 H new ATOM 0 HG3 PRO A 42 18.294 5.885 2.617 1.00 0.00 H new ATOM 0 HD2 PRO A 42 16.522 5.914 4.709 1.00 0.00 H new ATOM 0 HD3 PRO A 42 16.081 5.321 3.120 1.00 0.00 H new ATOM 650 N THR A 43 18.466 3.806 6.534 1.00 0.00 N ATOM 651 CA THR A 43 19.180 3.786 7.808 1.00 0.00 C ATOM 652 C THR A 43 19.174 2.382 8.403 1.00 0.00 C ATOM 653 O THR A 43 20.122 1.974 9.075 1.00 0.00 O ATOM 654 CB THR A 43 18.547 4.774 8.789 1.00 0.00 C ATOM 655 OG1 THR A 43 18.187 5.975 8.130 1.00 0.00 O ATOM 656 CG2 THR A 43 19.456 5.138 9.944 1.00 0.00 C ATOM 0 H THR A 43 17.763 4.540 6.456 1.00 0.00 H new ATOM 0 HA THR A 43 20.213 4.083 7.626 1.00 0.00 H new ATOM 0 HB THR A 43 17.670 4.263 9.186 1.00 0.00 H new ATOM 0 HG1 THR A 43 17.782 6.593 8.774 1.00 0.00 H new ATOM 0 HG21 THR A 43 18.945 5.842 10.601 1.00 0.00 H new ATOM 0 HG22 THR A 43 19.711 4.238 10.504 1.00 0.00 H new ATOM 0 HG23 THR A 43 20.367 5.596 9.559 1.00 0.00 H new ATOM 664 N ALA A 44 18.100 1.646 8.139 1.00 0.00 N ATOM 665 CA ALA A 44 17.963 0.282 8.633 1.00 0.00 C ATOM 666 C ALA A 44 17.639 -0.687 7.498 1.00 0.00 C ATOM 667 O ALA A 44 17.371 -1.865 7.735 1.00 0.00 O ATOM 668 CB ALA A 44 16.889 0.216 9.709 1.00 0.00 C ATOM 0 H ALA A 44 17.309 1.973 7.584 1.00 0.00 H new ATOM 0 HA ALA A 44 18.917 -0.017 9.067 1.00 0.00 H new ATOM 0 HB1 ALA A 44 16.797 -0.809 10.069 1.00 0.00 H new ATOM 0 HB2 ALA A 44 17.164 0.869 10.538 1.00 0.00 H new ATOM 0 HB3 ALA A 44 15.936 0.541 9.292 1.00 0.00 H new ATOM 674 N ASN A 45 17.659 -0.185 6.266 1.00 0.00 N ATOM 675 CA ASN A 45 17.361 -1.005 5.101 1.00 0.00 C ATOM 676 C ASN A 45 15.940 -1.542 5.191 1.00 0.00 C ATOM 677 O ASN A 45 15.697 -2.736 5.021 1.00 0.00 O ATOM 678 CB ASN A 45 18.364 -2.158 4.984 1.00 0.00 C ATOM 679 CG ASN A 45 19.139 -2.119 3.680 1.00 0.00 C ATOM 680 OD1 ASN A 45 20.346 -2.362 3.656 1.00 0.00 O ATOM 681 ND2 ASN A 45 18.449 -1.812 2.585 1.00 0.00 N ATOM 0 H ASN A 45 17.879 0.788 6.051 1.00 0.00 H new ATOM 0 HA ASN A 45 17.446 -0.387 4.207 1.00 0.00 H new ATOM 0 HB2 ASN A 45 19.062 -2.115 5.820 1.00 0.00 H new ATOM 0 HB3 ASN A 45 17.833 -3.107 5.060 1.00 0.00 H new ATOM 0 HD21 ASN A 45 18.919 -1.771 1.681 1.00 0.00 H new ATOM 0 HD22 ASN A 45 17.450 -1.618 2.650 1.00 0.00 H new ATOM 688 N SER A 46 15.003 -0.646 5.471 1.00 0.00 N ATOM 689 CA SER A 46 13.600 -1.024 5.596 1.00 0.00 C ATOM 690 C SER A 46 12.693 -0.020 4.891 1.00 0.00 C ATOM 691 O SER A 46 13.017 1.163 4.793 1.00 0.00 O ATOM 692 CB SER A 46 13.211 -1.132 7.072 1.00 0.00 C ATOM 693 OG SER A 46 13.737 -2.312 7.654 1.00 0.00 O ATOM 0 H SER A 46 15.188 0.347 5.616 1.00 0.00 H new ATOM 0 HA SER A 46 13.470 -1.995 5.118 1.00 0.00 H new ATOM 0 HB2 SER A 46 13.580 -0.261 7.613 1.00 0.00 H new ATOM 0 HB3 SER A 46 12.125 -1.129 7.166 1.00 0.00 H new ATOM 0 HG SER A 46 13.476 -2.356 8.597 1.00 0.00 H new ATOM 699 N PHE A 47 11.554 -0.504 4.406 1.00 0.00 N ATOM 700 CA PHE A 47 10.594 0.347 3.714 1.00 0.00 C ATOM 701 C PHE A 47 9.248 0.327 4.429 1.00 0.00 C ATOM 702 O PHE A 47 9.058 -0.428 5.383 1.00 0.00 O ATOM 703 CB PHE A 47 10.428 -0.111 2.265 1.00 0.00 C ATOM 704 CG PHE A 47 11.590 0.256 1.390 1.00 0.00 C ATOM 705 CD1 PHE A 47 11.733 1.549 0.924 1.00 0.00 C ATOM 706 CD2 PHE A 47 12.537 -0.690 1.037 1.00 0.00 C ATOM 707 CE1 PHE A 47 12.801 1.897 0.119 1.00 0.00 C ATOM 708 CE2 PHE A 47 13.609 -0.349 0.233 1.00 0.00 C ATOM 709 CZ PHE A 47 13.740 0.947 -0.227 1.00 0.00 C ATOM 0 H PHE A 47 11.274 -1.482 4.480 1.00 0.00 H new ATOM 0 HA PHE A 47 10.974 1.369 3.719 1.00 0.00 H new ATOM 0 HB2 PHE A 47 10.295 -1.193 2.246 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.519 0.329 1.854 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.001 2.297 1.192 1.00 0.00 H new ATOM 0 HD2 PHE A 47 12.437 -1.705 1.393 1.00 0.00 H new ATOM 0 HE1 PHE A 47 12.901 2.911 -0.239 1.00 0.00 H new ATOM 0 HE2 PHE A 47 14.343 -1.095 -0.035 1.00 0.00 H new ATOM 0 HZ PHE A 47 14.576 1.216 -0.856 1.00 0.00 H new ATOM 719 N ARG A 48 8.318 1.158 3.971 1.00 0.00 N ATOM 720 CA ARG A 48 6.998 1.222 4.586 1.00 0.00 C ATOM 721 C ARG A 48 5.994 1.936 3.687 1.00 0.00 C ATOM 722 O ARG A 48 6.349 2.836 2.928 1.00 0.00 O ATOM 723 CB ARG A 48 7.083 1.934 5.940 1.00 0.00 C ATOM 724 CG ARG A 48 5.734 2.151 6.608 1.00 0.00 C ATOM 725 CD ARG A 48 5.854 2.144 8.123 1.00 0.00 C ATOM 726 NE ARG A 48 6.119 3.477 8.657 1.00 0.00 N ATOM 727 CZ ARG A 48 5.916 3.823 9.926 1.00 0.00 C ATOM 728 NH1 ARG A 48 5.448 2.936 10.796 1.00 0.00 N ATOM 729 NH2 ARG A 48 6.181 5.059 10.327 1.00 0.00 N ATOM 0 H ARG A 48 8.452 1.791 3.183 1.00 0.00 H new ATOM 0 HA ARG A 48 6.650 0.200 4.733 1.00 0.00 H new ATOM 0 HB2 ARG A 48 7.718 1.351 6.607 1.00 0.00 H new ATOM 0 HB3 ARG A 48 7.568 2.900 5.802 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.313 3.101 6.280 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.041 1.370 6.293 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.933 1.756 8.558 1.00 0.00 H new ATOM 0 HD3 ARG A 48 6.656 1.468 8.420 1.00 0.00 H new ATOM 0 HE ARG A 48 6.481 4.186 8.019 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.242 1.984 10.493 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.294 3.207 11.767 1.00 0.00 H new ATOM 0 HH21 ARG A 48 6.540 5.745 9.663 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.025 5.324 11.300 1.00 0.00 H new ATOM 743 N VAL A 49 4.732 1.530 3.796 1.00 0.00 N ATOM 744 CA VAL A 49 3.661 2.130 3.015 1.00 0.00 C ATOM 745 C VAL A 49 2.759 2.957 3.925 1.00 0.00 C ATOM 746 O VAL A 49 2.275 2.464 4.943 1.00 0.00 O ATOM 747 CB VAL A 49 2.823 1.057 2.293 1.00 0.00 C ATOM 748 CG1 VAL A 49 3.583 0.499 1.101 1.00 0.00 C ATOM 749 CG2 VAL A 49 2.435 -0.056 3.255 1.00 0.00 C ATOM 0 H VAL A 49 4.428 0.784 4.422 1.00 0.00 H new ATOM 0 HA VAL A 49 4.114 2.773 2.260 1.00 0.00 H new ATOM 0 HB VAL A 49 1.909 1.523 1.926 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.976 -0.257 0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.804 1.305 0.401 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.515 0.049 1.442 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.844 -0.804 2.727 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.336 -0.522 3.655 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.847 0.359 4.074 1.00 0.00 H new ATOM 759 N VAL A 50 2.554 4.219 3.569 1.00 0.00 N ATOM 760 CA VAL A 50 1.730 5.110 4.379 1.00 0.00 C ATOM 761 C VAL A 50 0.679 5.819 3.533 1.00 0.00 C ATOM 762 O VAL A 50 1.008 6.531 2.588 1.00 0.00 O ATOM 763 CB VAL A 50 2.593 6.168 5.098 1.00 0.00 C ATOM 764 CG1 VAL A 50 1.903 6.651 6.361 1.00 0.00 C ATOM 765 CG2 VAL A 50 3.973 5.614 5.424 1.00 0.00 C ATOM 0 H VAL A 50 2.944 4.648 2.730 1.00 0.00 H new ATOM 0 HA VAL A 50 1.230 4.488 5.121 1.00 0.00 H new ATOM 0 HB VAL A 50 2.717 7.016 4.425 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.527 7.396 6.854 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.942 7.095 6.103 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.744 5.808 7.034 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.562 6.379 5.930 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.872 4.745 6.074 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.475 5.321 4.502 1.00 0.00 H new ATOM 775 N GLY A 51 -0.590 5.621 3.881 1.00 0.00 N ATOM 776 CA GLY A 51 -1.666 6.252 3.140 1.00 0.00 C ATOM 777 C GLY A 51 -2.749 6.813 4.038 1.00 0.00 C ATOM 778 O GLY A 51 -3.008 6.282 5.118 1.00 0.00 O ATOM 0 H GLY A 51 -0.891 5.036 4.661 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.256 7.055 2.527 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.107 5.524 2.458 1.00 0.00 H new ATOM 782 N ARG A 52 -3.383 7.892 3.588 1.00 0.00 N ATOM 783 CA ARG A 52 -4.448 8.530 4.354 1.00 0.00 C ATOM 784 C ARG A 52 -5.662 8.808 3.474 1.00 0.00 C ATOM 785 O ARG A 52 -5.525 9.094 2.284 1.00 0.00 O ATOM 786 CB ARG A 52 -3.948 9.834 4.980 1.00 0.00 C ATOM 787 CG ARG A 52 -3.490 10.861 3.959 1.00 0.00 C ATOM 788 CD ARG A 52 -3.829 12.276 4.402 1.00 0.00 C ATOM 789 NE ARG A 52 -2.693 12.938 5.038 1.00 0.00 N ATOM 790 CZ ARG A 52 -1.640 13.406 4.372 1.00 0.00 C ATOM 791 NH1 ARG A 52 -1.573 13.286 3.053 1.00 0.00 N ATOM 792 NH2 ARG A 52 -0.649 13.997 5.029 1.00 0.00 N ATOM 0 H ARG A 52 -3.177 8.343 2.696 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.747 7.846 5.148 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.745 10.266 5.585 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.121 9.610 5.654 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.414 10.773 3.810 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.962 10.656 2.998 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.151 12.859 3.539 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.667 12.247 5.098 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.708 13.048 6.052 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.331 12.833 2.543 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.763 13.647 2.549 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.695 14.092 6.044 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.158 14.356 4.519 1.00 0.00 H new ATOM 806 N LYS A 53 -6.849 8.722 4.067 1.00 0.00 N ATOM 807 CA LYS A 53 -8.091 8.962 3.336 1.00 0.00 C ATOM 808 C LYS A 53 -8.066 10.319 2.638 1.00 0.00 C ATOM 809 O LYS A 53 -7.322 11.217 3.030 1.00 0.00 O ATOM 810 CB LYS A 53 -9.287 8.890 4.285 1.00 0.00 C ATOM 811 CG LYS A 53 -9.789 7.475 4.527 1.00 0.00 C ATOM 812 CD LYS A 53 -10.341 6.854 3.253 1.00 0.00 C ATOM 813 CE LYS A 53 -11.170 5.614 3.548 1.00 0.00 C ATOM 814 NZ LYS A 53 -10.545 4.381 2.993 1.00 0.00 N ATOM 0 H LYS A 53 -6.978 8.488 5.051 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.187 8.186 2.576 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.010 9.336 5.240 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.100 9.490 3.877 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.975 6.860 4.910 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.565 7.489 5.292 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.954 7.586 2.727 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.517 6.592 2.589 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.290 5.506 4.626 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.168 5.736 3.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.667 3.597 3.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.000 4.137 2.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.530 4.547 2.835 1.00 0.00 H new ATOM 828 N MET A 54 -8.886 10.459 1.601 1.00 0.00 N ATOM 829 CA MET A 54 -8.961 11.704 0.847 1.00 0.00 C ATOM 830 C MET A 54 -10.216 12.488 1.216 1.00 0.00 C ATOM 831 O MET A 54 -10.936 12.976 0.346 1.00 0.00 O ATOM 832 CB MET A 54 -8.945 11.417 -0.655 1.00 0.00 C ATOM 833 CG MET A 54 -7.911 10.381 -1.065 1.00 0.00 C ATOM 834 SD MET A 54 -7.427 10.532 -2.795 1.00 0.00 S ATOM 835 CE MET A 54 -5.844 9.694 -2.779 1.00 0.00 C ATOM 0 H MET A 54 -9.508 9.724 1.264 1.00 0.00 H new ATOM 0 HA MET A 54 -8.090 12.308 1.102 1.00 0.00 H new ATOM 0 HB2 MET A 54 -9.933 11.073 -0.961 1.00 0.00 H new ATOM 0 HB3 MET A 54 -8.750 12.345 -1.192 1.00 0.00 H new ATOM 0 HG2 MET A 54 -7.028 10.485 -0.434 1.00 0.00 H new ATOM 0 HG3 MET A 54 -8.313 9.383 -0.890 1.00 0.00 H new ATOM 0 HE1 MET A 54 -5.306 9.914 -3.701 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.259 10.039 -1.927 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.002 8.619 -2.699 1.00 0.00 H new ATOM 845 N GLN A 55 -10.470 12.601 2.515 1.00 0.00 N ATOM 846 CA GLN A 55 -11.637 13.324 3.006 1.00 0.00 C ATOM 847 C GLN A 55 -11.238 14.345 4.069 1.00 0.00 C ATOM 848 O GLN A 55 -10.144 14.277 4.628 1.00 0.00 O ATOM 849 CB GLN A 55 -12.671 12.350 3.580 1.00 0.00 C ATOM 850 CG GLN A 55 -12.058 11.161 4.304 1.00 0.00 C ATOM 851 CD GLN A 55 -12.995 10.558 5.332 1.00 0.00 C ATOM 852 OE1 GLN A 55 -13.822 11.254 5.920 1.00 0.00 O ATOM 853 NE2 GLN A 55 -12.869 9.255 5.555 1.00 0.00 N ATOM 0 H GLN A 55 -9.883 12.201 3.247 1.00 0.00 H new ATOM 0 HA GLN A 55 -12.081 13.855 2.164 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -13.320 12.889 4.270 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -13.301 11.984 2.769 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.785 10.398 3.575 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.138 11.475 4.797 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.170 8.716 5.045 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.472 8.794 6.236 1.00 0.00 H new ATOM 862 N PRO A 56 -12.127 15.310 4.363 1.00 0.00 N ATOM 863 CA PRO A 56 -11.863 16.350 5.364 1.00 0.00 C ATOM 864 C PRO A 56 -11.396 15.772 6.696 1.00 0.00 C ATOM 865 O PRO A 56 -10.716 16.446 7.470 1.00 0.00 O ATOM 866 CB PRO A 56 -13.221 17.037 5.526 1.00 0.00 C ATOM 867 CG PRO A 56 -13.915 16.810 4.228 1.00 0.00 C ATOM 868 CD PRO A 56 -13.456 15.464 3.742 1.00 0.00 C ATOM 0 HA PRO A 56 -11.063 17.021 5.052 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -13.784 16.611 6.356 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.105 18.101 5.732 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -14.997 16.830 4.356 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.664 17.590 3.510 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -14.138 14.672 4.051 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -13.398 15.428 2.654 1.00 0.00 H new ATOM 876 N ASP A 57 -11.765 14.523 6.958 1.00 0.00 N ATOM 877 CA ASP A 57 -11.382 13.859 8.199 1.00 0.00 C ATOM 878 C ASP A 57 -9.886 13.560 8.218 1.00 0.00 C ATOM 879 O ASP A 57 -9.211 13.783 9.222 1.00 0.00 O ATOM 880 CB ASP A 57 -12.175 12.563 8.373 1.00 0.00 C ATOM 881 CG ASP A 57 -13.529 12.796 9.013 1.00 0.00 C ATOM 882 OD1 ASP A 57 -14.457 13.230 8.298 1.00 0.00 O ATOM 883 OD2 ASP A 57 -13.662 12.544 10.229 1.00 0.00 O ATOM 0 H ASP A 57 -12.328 13.951 6.329 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.610 14.531 9.027 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.312 12.091 7.400 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.601 11.868 8.986 1.00 0.00 H new ATOM 888 N GLN A 58 -9.376 13.053 7.100 1.00 0.00 N ATOM 889 CA GLN A 58 -7.959 12.722 6.989 1.00 0.00 C ATOM 890 C GLN A 58 -7.563 11.673 8.020 1.00 0.00 C ATOM 891 O GLN A 58 -7.336 11.989 9.188 1.00 0.00 O ATOM 892 CB GLN A 58 -7.105 13.979 7.168 1.00 0.00 C ATOM 893 CG GLN A 58 -7.256 14.985 6.039 1.00 0.00 C ATOM 894 CD GLN A 58 -6.024 15.065 5.159 1.00 0.00 C ATOM 895 OE1 GLN A 58 -4.915 15.292 5.643 1.00 0.00 O ATOM 896 NE2 GLN A 58 -6.213 14.880 3.857 1.00 0.00 N ATOM 0 H GLN A 58 -9.921 12.863 6.259 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.784 12.311 5.995 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -7.373 14.459 8.109 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -6.057 13.688 7.246 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -8.117 14.713 5.428 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.462 15.969 6.460 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -7.150 14.694 3.499 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -5.421 14.924 3.215 1.00 0.00 H new ATOM 905 N GLN A 59 -7.481 10.421 7.581 1.00 0.00 N ATOM 906 CA GLN A 59 -7.111 9.323 8.464 1.00 0.00 C ATOM 907 C GLN A 59 -6.224 8.320 7.735 1.00 0.00 C ATOM 908 O GLN A 59 -6.470 7.990 6.575 1.00 0.00 O ATOM 909 CB GLN A 59 -8.364 8.623 8.993 1.00 0.00 C ATOM 910 CG GLN A 59 -9.182 7.939 7.910 1.00 0.00 C ATOM 911 CD GLN A 59 -10.549 7.501 8.401 1.00 0.00 C ATOM 912 OE1 GLN A 59 -11.574 8.037 7.980 1.00 0.00 O ATOM 913 NE2 GLN A 59 -10.569 6.521 9.298 1.00 0.00 N ATOM 0 H GLN A 59 -7.666 10.142 6.617 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.552 9.735 9.304 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -8.070 7.882 9.737 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -8.991 9.355 9.503 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -9.304 8.619 7.067 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.637 7.070 7.542 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.695 6.105 9.619 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.459 6.184 9.666 1.00 0.00 H new ATOM 922 N VAL A 60 -5.191 7.839 8.417 1.00 0.00 N ATOM 923 CA VAL A 60 -4.273 6.876 7.823 1.00 0.00 C ATOM 924 C VAL A 60 -4.938 5.515 7.650 1.00 0.00 C ATOM 925 O VAL A 60 -5.406 4.915 8.617 1.00 0.00 O ATOM 926 CB VAL A 60 -2.992 6.712 8.668 1.00 0.00 C ATOM 927 CG1 VAL A 60 -2.346 8.064 8.928 1.00 0.00 C ATOM 928 CG2 VAL A 60 -3.291 5.996 9.980 1.00 0.00 C ATOM 0 H VAL A 60 -4.969 8.099 9.378 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.998 7.269 6.844 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.290 6.099 8.103 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.444 7.928 9.525 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.085 8.531 7.978 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.045 8.704 9.467 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.371 5.893 10.556 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.016 6.574 10.553 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.700 5.008 9.770 1.00 0.00 H new ATOM 938 N VAL A 61 -4.970 5.030 6.415 1.00 0.00 N ATOM 939 CA VAL A 61 -5.570 3.735 6.123 1.00 0.00 C ATOM 940 C VAL A 61 -4.509 2.639 6.139 1.00 0.00 C ATOM 941 O VAL A 61 -4.796 1.483 6.455 1.00 0.00 O ATOM 942 CB VAL A 61 -6.298 3.743 4.759 1.00 0.00 C ATOM 943 CG1 VAL A 61 -7.176 4.978 4.630 1.00 0.00 C ATOM 944 CG2 VAL A 61 -5.307 3.669 3.605 1.00 0.00 C ATOM 0 H VAL A 61 -4.588 5.513 5.602 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.307 3.532 6.900 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.933 2.858 4.713 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.680 4.967 3.664 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.919 4.981 5.427 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.559 5.873 4.706 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.849 3.676 2.659 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.636 4.527 3.646 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.726 2.750 3.683 1.00 0.00 H new ATOM 954 N ILE A 62 -3.278 3.016 5.804 1.00 0.00 N ATOM 955 CA ILE A 62 -2.165 2.078 5.785 1.00 0.00 C ATOM 956 C ILE A 62 -0.909 2.713 6.373 1.00 0.00 C ATOM 957 O ILE A 62 -0.605 3.873 6.100 1.00 0.00 O ATOM 958 CB ILE A 62 -1.855 1.591 4.354 1.00 0.00 C ATOM 959 CG1 ILE A 62 -0.804 0.480 4.384 1.00 0.00 C ATOM 960 CG2 ILE A 62 -1.378 2.746 3.484 1.00 0.00 C ATOM 961 CD1 ILE A 62 -0.766 -0.351 3.120 1.00 0.00 C ATOM 0 H ILE A 62 -3.028 3.969 5.541 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.463 1.223 6.392 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.773 1.192 3.923 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.178 0.924 4.547 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.003 -0.174 5.233 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.165 2.381 2.479 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.154 3.510 3.436 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.473 3.175 3.914 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.002 -1.119 3.212 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.736 -0.824 2.966 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.537 0.291 2.269 1.00 0.00 H new ATOM 973 N ASN A 63 -0.185 1.946 7.178 1.00 0.00 N ATOM 974 CA ASN A 63 1.039 2.432 7.801 1.00 0.00 C ATOM 975 C ASN A 63 1.843 1.271 8.379 1.00 0.00 C ATOM 976 O ASN A 63 2.053 1.185 9.589 1.00 0.00 O ATOM 977 CB ASN A 63 0.714 3.450 8.895 1.00 0.00 C ATOM 978 CG ASN A 63 1.827 4.459 9.098 1.00 0.00 C ATOM 979 OD1 ASN A 63 3.009 4.123 9.003 1.00 0.00 O ATOM 980 ND2 ASN A 63 1.456 5.702 9.379 1.00 0.00 N ATOM 0 H ASN A 63 -0.425 0.983 7.415 1.00 0.00 H new ATOM 0 HA ASN A 63 1.642 2.923 7.037 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.205 3.975 8.637 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.529 2.925 9.832 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.161 6.424 9.526 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.465 5.935 9.448 1.00 0.00 H new ATOM 987 N CYS A 64 2.287 0.376 7.500 1.00 0.00 N ATOM 988 CA CYS A 64 3.066 -0.787 7.913 1.00 0.00 C ATOM 989 C CYS A 64 4.370 -0.877 7.125 1.00 0.00 C ATOM 990 O CYS A 64 4.385 -0.697 5.908 1.00 0.00 O ATOM 991 CB CYS A 64 2.251 -2.068 7.719 1.00 0.00 C ATOM 992 SG CYS A 64 3.078 -3.564 8.307 1.00 0.00 S ATOM 0 H CYS A 64 2.120 0.435 6.495 1.00 0.00 H new ATOM 0 HA CYS A 64 3.308 -0.674 8.970 1.00 0.00 H new ATOM 0 HB2 CYS A 64 1.299 -1.963 8.240 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.023 -2.184 6.659 1.00 0.00 H new ATOM 0 HG CYS A 64 2.311 -4.593 8.102 1.00 0.00 H new ATOM 998 N ALA A 65 5.464 -1.151 7.831 1.00 0.00 N ATOM 999 CA ALA A 65 6.775 -1.258 7.199 1.00 0.00 C ATOM 1000 C ALA A 65 6.927 -2.569 6.436 1.00 0.00 C ATOM 1001 O ALA A 65 6.555 -3.633 6.930 1.00 0.00 O ATOM 1002 CB ALA A 65 7.875 -1.129 8.242 1.00 0.00 C ATOM 0 H ALA A 65 5.468 -1.303 8.840 1.00 0.00 H new ATOM 0 HA ALA A 65 6.863 -0.443 6.481 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.848 -1.211 7.757 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.796 -0.161 8.736 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.770 -1.923 8.981 1.00 0.00 H new ATOM 1008 N ILE A 66 7.491 -2.484 5.235 1.00 0.00 N ATOM 1009 CA ILE A 66 7.712 -3.666 4.412 1.00 0.00 C ATOM 1010 C ILE A 66 9.199 -3.959 4.285 1.00 0.00 C ATOM 1011 O ILE A 66 10.038 -3.137 4.650 1.00 0.00 O ATOM 1012 CB ILE A 66 7.109 -3.524 2.998 1.00 0.00 C ATOM 1013 CG1 ILE A 66 7.122 -2.070 2.533 1.00 0.00 C ATOM 1014 CG2 ILE A 66 5.694 -4.081 2.966 1.00 0.00 C ATOM 1015 CD1 ILE A 66 7.072 -1.937 1.027 1.00 0.00 C ATOM 0 H ILE A 66 7.803 -1.610 4.811 1.00 0.00 H new ATOM 0 HA ILE A 66 7.207 -4.490 4.916 1.00 0.00 H new ATOM 0 HB ILE A 66 7.728 -4.100 2.310 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.271 -1.546 2.968 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.022 -1.582 2.907 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.283 -3.973 1.962 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.712 -5.136 3.239 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.071 -3.533 3.674 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.084 -0.882 0.754 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.937 -2.435 0.589 1.00 0.00 H new ATOM 0 HD13 ILE A 66 6.159 -2.399 0.651 1.00 0.00 H new ATOM 1027 N VAL A 67 9.516 -5.136 3.767 1.00 0.00 N ATOM 1028 CA VAL A 67 10.899 -5.545 3.592 1.00 0.00 C ATOM 1029 C VAL A 67 11.010 -6.616 2.512 1.00 0.00 C ATOM 1030 O VAL A 67 10.028 -6.936 1.845 1.00 0.00 O ATOM 1031 CB VAL A 67 11.489 -6.081 4.911 1.00 0.00 C ATOM 1032 CG1 VAL A 67 11.624 -4.958 5.929 1.00 0.00 C ATOM 1033 CG2 VAL A 67 10.627 -7.208 5.461 1.00 0.00 C ATOM 0 H VAL A 67 8.831 -5.826 3.460 1.00 0.00 H new ATOM 0 HA VAL A 67 11.466 -4.666 3.285 1.00 0.00 H new ATOM 0 HB VAL A 67 12.483 -6.480 4.709 1.00 0.00 H new ATOM 0 HG11 VAL A 67 12.042 -5.354 6.854 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.284 -4.186 5.534 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.642 -4.528 6.129 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.058 -7.575 6.392 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.619 -6.837 5.649 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.585 -8.021 4.736 1.00 0.00 H new ATOM 1043 N ARG A 68 12.207 -7.169 2.346 1.00 0.00 N ATOM 1044 CA ARG A 68 12.434 -8.207 1.348 1.00 0.00 C ATOM 1045 C ARG A 68 11.501 -9.392 1.597 1.00 0.00 C ATOM 1046 O ARG A 68 11.867 -10.338 2.294 1.00 0.00 O ATOM 1047 CB ARG A 68 13.901 -8.663 1.392 1.00 0.00 C ATOM 1048 CG ARG A 68 14.161 -10.034 0.772 1.00 0.00 C ATOM 1049 CD ARG A 68 14.763 -10.998 1.782 1.00 0.00 C ATOM 1050 NE ARG A 68 14.774 -12.374 1.289 1.00 0.00 N ATOM 1051 CZ ARG A 68 13.736 -13.204 1.380 1.00 0.00 C ATOM 1052 NH1 ARG A 68 12.600 -12.802 1.939 1.00 0.00 N ATOM 1053 NH2 ARG A 68 13.833 -14.440 0.909 1.00 0.00 N ATOM 0 H ARG A 68 13.033 -6.916 2.889 1.00 0.00 H new ATOM 0 HA ARG A 68 12.221 -7.801 0.359 1.00 0.00 H new ATOM 0 HB2 ARG A 68 14.513 -7.924 0.875 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.231 -8.680 2.431 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.227 -10.444 0.388 1.00 0.00 H new ATOM 0 HG3 ARG A 68 14.835 -9.928 -0.078 1.00 0.00 H new ATOM 0 HD2 ARG A 68 15.782 -10.689 2.015 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.195 -10.951 2.711 1.00 0.00 H new ATOM 0 HE ARG A 68 15.627 -12.719 0.849 1.00 0.00 H new ATOM 0 HH11 ARG A 68 12.518 -11.852 2.302 1.00 0.00 H new ATOM 0 HH12 ARG A 68 11.809 -13.443 2.005 1.00 0.00 H new ATOM 0 HH21 ARG A 68 14.702 -14.755 0.477 1.00 0.00 H new ATOM 0 HH22 ARG A 68 13.039 -15.076 0.978 1.00 0.00 H new ATOM 1067 N GLY A 69 10.299 -9.338 1.031 1.00 0.00 N ATOM 1068 CA GLY A 69 9.356 -10.423 1.225 1.00 0.00 C ATOM 1069 C GLY A 69 8.001 -10.174 0.589 1.00 0.00 C ATOM 1070 O GLY A 69 7.327 -11.118 0.179 1.00 0.00 O ATOM 0 H GLY A 69 9.964 -8.571 0.448 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.779 -11.339 0.811 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.221 -10.589 2.294 1.00 0.00 H new ATOM 1074 N VAL A 70 7.585 -8.911 0.508 1.00 0.00 N ATOM 1075 CA VAL A 70 6.294 -8.587 -0.080 1.00 0.00 C ATOM 1076 C VAL A 70 6.387 -8.511 -1.602 1.00 0.00 C ATOM 1077 O VAL A 70 7.297 -7.892 -2.152 1.00 0.00 O ATOM 1078 CB VAL A 70 5.734 -7.262 0.493 1.00 0.00 C ATOM 1079 CG1 VAL A 70 4.795 -6.582 -0.485 1.00 0.00 C ATOM 1080 CG2 VAL A 70 5.010 -7.517 1.799 1.00 0.00 C ATOM 0 H VAL A 70 8.118 -8.107 0.839 1.00 0.00 H new ATOM 0 HA VAL A 70 5.605 -9.390 0.182 1.00 0.00 H new ATOM 0 HB VAL A 70 6.581 -6.599 0.669 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.422 -5.656 -0.048 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.330 -6.358 -1.408 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.956 -7.243 -0.704 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.622 -6.576 2.190 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.184 -8.207 1.628 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.702 -7.951 2.520 1.00 0.00 H new ATOM 1090 N LYS A 71 5.432 -9.149 -2.272 1.00 0.00 N ATOM 1091 CA LYS A 71 5.391 -9.161 -3.730 1.00 0.00 C ATOM 1092 C LYS A 71 4.088 -8.557 -4.241 1.00 0.00 C ATOM 1093 O LYS A 71 3.006 -9.095 -4.002 1.00 0.00 O ATOM 1094 CB LYS A 71 5.542 -10.591 -4.253 1.00 0.00 C ATOM 1095 CG LYS A 71 5.610 -10.681 -5.769 1.00 0.00 C ATOM 1096 CD LYS A 71 7.025 -10.961 -6.250 1.00 0.00 C ATOM 1097 CE LYS A 71 7.027 -11.774 -7.534 1.00 0.00 C ATOM 1098 NZ LYS A 71 7.211 -10.915 -8.736 1.00 0.00 N ATOM 0 H LYS A 71 4.674 -9.666 -1.826 1.00 0.00 H new ATOM 0 HA LYS A 71 6.221 -8.557 -4.098 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.446 -11.030 -3.831 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.702 -11.189 -3.899 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.944 -11.470 -6.117 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.255 -9.748 -6.206 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.548 -10.019 -6.414 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.573 -11.499 -5.477 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.825 -12.516 -7.493 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.088 -12.320 -7.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.206 -11.508 -9.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.436 -10.223 -8.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.119 -10.413 -8.668 1.00 0.00 H new ATOM 1112 N TYR A 72 4.199 -7.436 -4.943 1.00 0.00 N ATOM 1113 CA TYR A 72 3.030 -6.754 -5.490 1.00 0.00 C ATOM 1114 C TYR A 72 2.336 -7.620 -6.538 1.00 0.00 C ATOM 1115 O TYR A 72 2.827 -7.773 -7.656 1.00 0.00 O ATOM 1116 CB TYR A 72 3.448 -5.415 -6.107 1.00 0.00 C ATOM 1117 CG TYR A 72 3.114 -4.219 -5.245 1.00 0.00 C ATOM 1118 CD1 TYR A 72 3.147 -4.309 -3.861 1.00 0.00 C ATOM 1119 CD2 TYR A 72 2.772 -2.997 -5.817 1.00 0.00 C ATOM 1120 CE1 TYR A 72 2.849 -3.221 -3.067 1.00 0.00 C ATOM 1121 CE2 TYR A 72 2.473 -1.901 -5.029 1.00 0.00 C ATOM 1122 CZ TYR A 72 2.513 -2.019 -3.654 1.00 0.00 C ATOM 1123 OH TYR A 72 2.222 -0.933 -2.864 1.00 0.00 O ATOM 0 H TYR A 72 5.087 -6.978 -5.148 1.00 0.00 H new ATOM 0 HA TYR A 72 2.326 -6.571 -4.678 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.522 -5.430 -6.292 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.959 -5.302 -7.075 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.411 -5.248 -3.397 1.00 0.00 H new ATOM 0 HD2 TYR A 72 2.740 -2.904 -6.892 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.879 -3.310 -1.991 1.00 0.00 H new ATOM 0 HE2 TYR A 72 2.210 -0.959 -5.486 1.00 0.00 H new ATOM 0 HH TYR A 72 1.537 -0.385 -3.301 1.00 0.00 H new ATOM 1133 N ASN A 73 1.190 -8.181 -6.167 1.00 0.00 N ATOM 1134 CA ASN A 73 0.425 -9.029 -7.074 1.00 0.00 C ATOM 1135 C ASN A 73 -0.728 -8.252 -7.702 1.00 0.00 C ATOM 1136 O ASN A 73 -1.793 -8.112 -7.102 1.00 0.00 O ATOM 1137 CB ASN A 73 -0.113 -10.253 -6.330 1.00 0.00 C ATOM 1138 CG ASN A 73 -0.015 -11.521 -7.155 1.00 0.00 C ATOM 1139 OD1 ASN A 73 1.014 -11.796 -7.773 1.00 0.00 O ATOM 1140 ND2 ASN A 73 -1.088 -12.303 -7.168 1.00 0.00 N ATOM 0 H ASN A 73 0.771 -8.064 -5.245 1.00 0.00 H new ATOM 0 HA ASN A 73 1.091 -9.361 -7.870 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.443 -10.383 -5.401 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.154 -10.080 -6.057 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.080 -13.170 -7.705 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.920 -12.036 -6.641 1.00 0.00 H new ATOM 1147 N GLN A 74 -0.506 -7.750 -8.912 1.00 0.00 N ATOM 1148 CA GLN A 74 -1.524 -6.986 -9.623 1.00 0.00 C ATOM 1149 C GLN A 74 -2.798 -7.805 -9.799 1.00 0.00 C ATOM 1150 O GLN A 74 -2.946 -8.538 -10.778 1.00 0.00 O ATOM 1151 CB GLN A 74 -0.997 -6.542 -10.988 1.00 0.00 C ATOM 1152 CG GLN A 74 -1.832 -5.450 -11.637 1.00 0.00 C ATOM 1153 CD GLN A 74 -2.412 -5.874 -12.973 1.00 0.00 C ATOM 1154 OE1 GLN A 74 -2.006 -5.381 -14.024 1.00 0.00 O ATOM 1155 NE2 GLN A 74 -3.369 -6.794 -12.936 1.00 0.00 N ATOM 0 H GLN A 74 0.371 -7.859 -9.421 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.761 -6.104 -9.028 1.00 0.00 H new ATOM 0 HB2 GLN A 74 0.027 -6.186 -10.874 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.962 -7.405 -11.653 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.644 -5.171 -10.965 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -1.216 -4.562 -11.778 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -3.675 -7.176 -12.041 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -3.798 -7.119 -13.803 1.00 0.00 H new ATOM 1164 N ALA A 75 -3.715 -7.675 -8.847 1.00 0.00 N ATOM 1165 CA ALA A 75 -4.979 -8.401 -8.897 1.00 0.00 C ATOM 1166 C ALA A 75 -5.753 -8.069 -10.167 1.00 0.00 C ATOM 1167 O ALA A 75 -6.394 -8.937 -10.761 1.00 0.00 O ATOM 1168 CB ALA A 75 -5.816 -8.082 -7.667 1.00 0.00 C ATOM 0 H ALA A 75 -3.607 -7.073 -8.031 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.758 -9.468 -8.908 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.757 -8.630 -7.715 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.271 -8.376 -6.770 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.020 -7.012 -7.633 1.00 0.00 H new ATOM 1174 N THR A 76 -5.690 -6.807 -10.577 1.00 0.00 N ATOM 1175 CA THR A 76 -6.385 -6.352 -11.778 1.00 0.00 C ATOM 1176 C THR A 76 -5.645 -5.171 -12.407 1.00 0.00 C ATOM 1177 O THR A 76 -4.654 -4.692 -11.856 1.00 0.00 O ATOM 1178 CB THR A 76 -7.830 -5.957 -11.445 1.00 0.00 C ATOM 1179 OG1 THR A 76 -7.909 -4.587 -11.087 1.00 0.00 O ATOM 1180 CG2 THR A 76 -8.431 -6.758 -10.309 1.00 0.00 C ATOM 0 H THR A 76 -5.164 -6.078 -10.095 1.00 0.00 H new ATOM 0 HA THR A 76 -6.406 -7.172 -12.495 1.00 0.00 H new ATOM 0 HB THR A 76 -8.395 -6.165 -12.353 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.839 -4.356 -10.880 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.453 -6.424 -10.129 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.435 -7.816 -10.572 1.00 0.00 H new ATOM 0 HG23 THR A 76 -7.838 -6.611 -9.407 1.00 0.00 H new ATOM 1188 N PRO A 77 -6.116 -4.680 -13.567 1.00 0.00 N ATOM 1189 CA PRO A 77 -5.485 -3.546 -14.252 1.00 0.00 C ATOM 1190 C PRO A 77 -5.248 -2.368 -13.313 1.00 0.00 C ATOM 1191 O PRO A 77 -4.351 -1.555 -13.534 1.00 0.00 O ATOM 1192 CB PRO A 77 -6.501 -3.179 -15.334 1.00 0.00 C ATOM 1193 CG PRO A 77 -7.225 -4.449 -15.613 1.00 0.00 C ATOM 1194 CD PRO A 77 -7.296 -5.180 -14.299 1.00 0.00 C ATOM 0 HA PRO A 77 -4.500 -3.797 -14.645 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -7.183 -2.401 -14.991 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.008 -2.799 -16.229 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.223 -4.252 -16.005 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -6.700 -5.042 -16.362 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.222 -4.961 -13.767 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -7.255 -6.260 -14.437 1.00 0.00 H new ATOM 1202 N ASN A 78 -6.056 -2.289 -12.262 1.00 0.00 N ATOM 1203 CA ASN A 78 -5.936 -1.218 -11.281 1.00 0.00 C ATOM 1204 C ASN A 78 -6.101 -1.764 -9.865 1.00 0.00 C ATOM 1205 O ASN A 78 -7.066 -1.441 -9.172 1.00 0.00 O ATOM 1206 CB ASN A 78 -6.981 -0.132 -11.550 1.00 0.00 C ATOM 1207 CG ASN A 78 -8.390 -0.690 -11.616 1.00 0.00 C ATOM 1208 OD1 ASN A 78 -8.715 -1.483 -12.499 1.00 0.00 O ATOM 1209 ND2 ASN A 78 -9.234 -0.275 -10.678 1.00 0.00 N ATOM 0 H ASN A 78 -6.803 -2.956 -12.067 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.941 -0.781 -11.371 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -6.928 0.622 -10.765 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -6.747 0.369 -12.489 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -10.196 -0.615 -10.671 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -8.920 0.384 -9.965 1.00 0.00 H new ATOM 1216 N PHE A 79 -5.154 -2.596 -9.442 1.00 0.00 N ATOM 1217 CA PHE A 79 -5.199 -3.187 -8.109 1.00 0.00 C ATOM 1218 C PHE A 79 -3.858 -3.814 -7.733 1.00 0.00 C ATOM 1219 O PHE A 79 -3.450 -4.819 -8.313 1.00 0.00 O ATOM 1220 CB PHE A 79 -6.304 -4.243 -8.036 1.00 0.00 C ATOM 1221 CG PHE A 79 -6.970 -4.329 -6.692 1.00 0.00 C ATOM 1222 CD1 PHE A 79 -6.370 -5.017 -5.647 1.00 0.00 C ATOM 1223 CD2 PHE A 79 -8.197 -3.723 -6.471 1.00 0.00 C ATOM 1224 CE1 PHE A 79 -6.982 -5.099 -4.410 1.00 0.00 C ATOM 1225 CE2 PHE A 79 -8.813 -3.803 -5.237 1.00 0.00 C ATOM 1226 CZ PHE A 79 -8.205 -4.491 -4.205 1.00 0.00 C ATOM 0 H PHE A 79 -4.348 -2.876 -10.001 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.413 -2.389 -7.398 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -7.058 -4.020 -8.791 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -5.881 -5.216 -8.285 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -5.414 -5.494 -5.802 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -8.677 -3.182 -7.273 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -6.504 -5.638 -3.605 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -9.770 -3.328 -5.079 1.00 0.00 H new ATOM 0 HZ PHE A 79 -8.685 -4.553 -3.240 1.00 0.00 H new ATOM 1236 N HIS A 80 -3.183 -3.220 -6.751 1.00 0.00 N ATOM 1237 CA HIS A 80 -1.894 -3.730 -6.293 1.00 0.00 C ATOM 1238 C HIS A 80 -2.018 -4.317 -4.893 1.00 0.00 C ATOM 1239 O HIS A 80 -2.061 -3.589 -3.900 1.00 0.00 O ATOM 1240 CB HIS A 80 -0.833 -2.633 -6.318 1.00 0.00 C ATOM 1241 CG HIS A 80 -0.006 -2.650 -7.566 1.00 0.00 C ATOM 1242 ND1 HIS A 80 0.144 -1.555 -8.391 1.00 0.00 N ATOM 1243 CD2 HIS A 80 0.708 -3.649 -8.138 1.00 0.00 C ATOM 1244 CE1 HIS A 80 0.911 -1.880 -9.416 1.00 0.00 C ATOM 1245 NE2 HIS A 80 1.268 -3.143 -9.285 1.00 0.00 N ATOM 0 H HIS A 80 -3.507 -2.387 -6.259 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.582 -4.521 -6.975 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.319 -1.662 -6.224 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.179 -2.747 -5.453 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -0.272 -0.637 -8.234 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.817 -4.656 -7.762 1.00 0.00 H new ATOM 0 HE1 HIS A 80 1.197 -1.223 -10.224 1.00 0.00 H new ATOM 1254 N GLN A 81 -2.087 -5.641 -4.825 1.00 0.00 N ATOM 1255 CA GLN A 81 -2.220 -6.341 -3.554 1.00 0.00 C ATOM 1256 C GLN A 81 -0.921 -7.048 -3.179 1.00 0.00 C ATOM 1257 O GLN A 81 -0.160 -7.475 -4.048 1.00 0.00 O ATOM 1258 CB GLN A 81 -3.374 -7.352 -3.645 1.00 0.00 C ATOM 1259 CG GLN A 81 -3.297 -8.499 -2.644 1.00 0.00 C ATOM 1260 CD GLN A 81 -4.133 -9.692 -3.067 1.00 0.00 C ATOM 1261 OE1 GLN A 81 -5.320 -9.778 -2.752 1.00 0.00 O ATOM 1262 NE2 GLN A 81 -3.513 -10.619 -3.786 1.00 0.00 N ATOM 0 H GLN A 81 -2.053 -6.254 -5.640 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.438 -5.612 -2.774 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -4.315 -6.822 -3.498 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.396 -7.768 -4.652 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -2.258 -8.809 -2.530 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.635 -8.150 -1.668 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.528 -10.506 -4.024 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -4.022 -11.445 -4.101 1.00 0.00 H new ATOM 1271 N TRP A 82 -0.684 -7.182 -1.878 1.00 0.00 N ATOM 1272 CA TRP A 82 0.514 -7.858 -1.388 1.00 0.00 C ATOM 1273 C TRP A 82 0.286 -8.508 -0.030 1.00 0.00 C ATOM 1274 O TRP A 82 -0.477 -8.006 0.794 1.00 0.00 O ATOM 1275 CB TRP A 82 1.695 -6.893 -1.277 1.00 0.00 C ATOM 1276 CG TRP A 82 1.449 -5.727 -0.368 1.00 0.00 C ATOM 1277 CD1 TRP A 82 1.782 -5.637 0.953 1.00 0.00 C ATOM 1278 CD2 TRP A 82 0.832 -4.480 -0.712 1.00 0.00 C ATOM 1279 NE1 TRP A 82 1.412 -4.411 1.451 1.00 0.00 N ATOM 1280 CE2 TRP A 82 0.827 -3.684 0.449 1.00 0.00 C ATOM 1281 CE3 TRP A 82 0.284 -3.961 -1.888 1.00 0.00 C ATOM 1282 CZ2 TRP A 82 0.298 -2.397 0.466 1.00 0.00 C ATOM 1283 CZ3 TRP A 82 -0.241 -2.682 -1.869 1.00 0.00 C ATOM 1284 CH2 TRP A 82 -0.230 -1.913 -0.698 1.00 0.00 C ATOM 0 H TRP A 82 -1.303 -6.833 -1.146 1.00 0.00 H new ATOM 0 HA TRP A 82 0.744 -8.633 -2.119 1.00 0.00 H new ATOM 0 HB2 TRP A 82 2.566 -7.442 -0.919 1.00 0.00 H new ATOM 0 HB3 TRP A 82 1.940 -6.520 -2.271 1.00 0.00 H new ATOM 0 HD1 TRP A 82 2.266 -6.416 1.523 1.00 0.00 H new ATOM 0 HE1 TRP A 82 1.551 -4.094 2.411 1.00 0.00 H new ATOM 0 HE3 TRP A 82 0.271 -4.548 -2.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 0.304 -1.802 1.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -0.667 -2.269 -2.772 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -0.647 -0.917 -0.715 1.00 0.00 H new ATOM 1295 N ARG A 83 0.985 -9.613 0.199 1.00 0.00 N ATOM 1296 CA ARG A 83 0.904 -10.333 1.461 1.00 0.00 C ATOM 1297 C ARG A 83 2.235 -10.215 2.192 1.00 0.00 C ATOM 1298 O ARG A 83 3.253 -10.733 1.731 1.00 0.00 O ATOM 1299 CB ARG A 83 0.560 -11.804 1.222 1.00 0.00 C ATOM 1300 CG ARG A 83 -0.059 -12.489 2.432 1.00 0.00 C ATOM 1301 CD ARG A 83 0.578 -13.844 2.696 1.00 0.00 C ATOM 1302 NE ARG A 83 1.838 -13.724 3.426 1.00 0.00 N ATOM 1303 CZ ARG A 83 2.740 -14.699 3.514 1.00 0.00 C ATOM 1304 NH1 ARG A 83 2.525 -15.868 2.919 1.00 0.00 N ATOM 1305 NH2 ARG A 83 3.860 -14.508 4.198 1.00 0.00 N ATOM 0 H ARG A 83 1.620 -10.032 -0.481 1.00 0.00 H new ATOM 0 HA ARG A 83 0.113 -9.896 2.071 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.131 -11.875 0.382 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.466 -12.339 0.936 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.059 -11.854 3.310 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.130 -12.615 2.271 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.113 -14.465 3.266 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.755 -14.352 1.748 1.00 0.00 H new ATOM 0 HE ARG A 83 2.038 -12.841 3.896 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.665 -16.021 2.392 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.220 -16.612 2.990 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.031 -13.613 4.657 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.551 -15.256 4.265 1.00 0.00 H new ATOM 1319 N ASP A 84 2.234 -9.509 3.315 1.00 0.00 N ATOM 1320 CA ASP A 84 3.458 -9.306 4.079 1.00 0.00 C ATOM 1321 C ASP A 84 3.617 -10.365 5.174 1.00 0.00 C ATOM 1322 O ASP A 84 4.179 -11.433 4.931 1.00 0.00 O ATOM 1323 CB ASP A 84 3.475 -7.887 4.664 1.00 0.00 C ATOM 1324 CG ASP A 84 4.511 -7.703 5.759 1.00 0.00 C ATOM 1325 OD1 ASP A 84 5.506 -8.457 5.767 1.00 0.00 O ATOM 1326 OD2 ASP A 84 4.327 -6.804 6.606 1.00 0.00 O ATOM 0 H ASP A 84 1.405 -9.070 3.715 1.00 0.00 H new ATOM 0 HA ASP A 84 4.310 -9.416 3.408 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.671 -7.174 3.864 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.488 -7.654 5.064 1.00 0.00 H new ATOM 1331 N ALA A 85 3.129 -10.071 6.376 1.00 0.00 N ATOM 1332 CA ALA A 85 3.235 -11.008 7.489 1.00 0.00 C ATOM 1333 C ALA A 85 2.135 -12.060 7.423 1.00 0.00 C ATOM 1334 O ALA A 85 2.395 -13.233 7.154 1.00 0.00 O ATOM 1335 CB ALA A 85 3.178 -10.263 8.814 1.00 0.00 C ATOM 0 H ALA A 85 2.658 -9.195 6.603 1.00 0.00 H new ATOM 0 HA ALA A 85 4.196 -11.518 7.414 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.258 -10.975 9.635 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.003 -9.553 8.868 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.232 -9.727 8.890 1.00 0.00 H new ATOM 1341 N ARG A 86 0.905 -11.628 7.662 1.00 0.00 N ATOM 1342 CA ARG A 86 -0.245 -12.527 7.624 1.00 0.00 C ATOM 1343 C ARG A 86 -1.477 -11.818 7.069 1.00 0.00 C ATOM 1344 O ARG A 86 -2.590 -12.340 7.140 1.00 0.00 O ATOM 1345 CB ARG A 86 -0.548 -13.074 9.021 1.00 0.00 C ATOM 1346 CG ARG A 86 -1.761 -13.993 9.066 1.00 0.00 C ATOM 1347 CD ARG A 86 -1.604 -15.073 10.123 1.00 0.00 C ATOM 1348 NE ARG A 86 -1.430 -14.509 11.460 1.00 0.00 N ATOM 1349 CZ ARG A 86 -0.979 -15.201 12.503 1.00 0.00 C ATOM 1350 NH1 ARG A 86 -0.654 -16.481 12.367 1.00 0.00 N ATOM 1351 NH2 ARG A 86 -0.849 -14.612 13.684 1.00 0.00 N ATOM 0 H ARG A 86 0.675 -10.660 7.885 1.00 0.00 H new ATOM 0 HA ARG A 86 0.005 -13.357 6.964 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.323 -13.618 9.386 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.710 -12.238 9.702 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.656 -13.406 9.274 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.904 -14.456 8.090 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.481 -15.720 10.114 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.745 -15.698 9.878 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.668 -13.527 11.602 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.750 -16.938 11.460 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.309 -17.008 13.169 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.095 -13.628 13.793 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.503 -15.143 14.483 1.00 0.00 H new ATOM 1365 N GLN A 87 -1.277 -10.630 6.513 1.00 0.00 N ATOM 1366 CA GLN A 87 -2.376 -9.864 5.950 1.00 0.00 C ATOM 1367 C GLN A 87 -2.104 -9.532 4.495 1.00 0.00 C ATOM 1368 O GLN A 87 -0.958 -9.540 4.044 1.00 0.00 O ATOM 1369 CB GLN A 87 -2.619 -8.563 6.732 1.00 0.00 C ATOM 1370 CG GLN A 87 -1.805 -8.422 8.011 1.00 0.00 C ATOM 1371 CD GLN A 87 -2.597 -8.802 9.242 1.00 0.00 C ATOM 1372 OE1 GLN A 87 -2.152 -9.610 10.060 1.00 0.00 O ATOM 1373 NE2 GLN A 87 -3.781 -8.222 9.381 1.00 0.00 N ATOM 0 H GLN A 87 -0.365 -10.179 6.441 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.270 -10.483 6.022 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.395 -7.718 6.081 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.678 -8.500 6.984 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -0.917 -9.051 7.945 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -1.460 -7.393 8.107 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -4.110 -7.559 8.679 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -4.363 -8.439 10.190 1.00 0.00 H new ATOM 1382 N VAL A 88 -3.163 -9.221 3.772 1.00 0.00 N ATOM 1383 CA VAL A 88 -3.050 -8.860 2.370 1.00 0.00 C ATOM 1384 C VAL A 88 -3.594 -7.457 2.163 1.00 0.00 C ATOM 1385 O VAL A 88 -4.783 -7.205 2.364 1.00 0.00 O ATOM 1386 CB VAL A 88 -3.798 -9.848 1.452 1.00 0.00 C ATOM 1387 CG1 VAL A 88 -3.154 -9.883 0.076 1.00 0.00 C ATOM 1388 CG2 VAL A 88 -3.829 -11.243 2.064 1.00 0.00 C ATOM 0 H VAL A 88 -4.117 -9.211 4.134 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.994 -8.899 2.102 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.827 -9.503 1.346 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.693 -10.585 -0.560 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.191 -8.888 -0.368 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.116 -10.201 0.168 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.362 -11.921 1.397 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.809 -11.601 2.206 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.338 -11.207 3.027 1.00 0.00 H new ATOM 1398 N TRP A 89 -2.716 -6.539 1.790 1.00 0.00 N ATOM 1399 CA TRP A 89 -3.108 -5.154 1.591 1.00 0.00 C ATOM 1400 C TRP A 89 -3.464 -4.883 0.133 1.00 0.00 C ATOM 1401 O TRP A 89 -2.595 -4.598 -0.692 1.00 0.00 O ATOM 1402 CB TRP A 89 -1.985 -4.227 2.050 1.00 0.00 C ATOM 1403 CG TRP A 89 -1.799 -4.224 3.537 1.00 0.00 C ATOM 1404 CD1 TRP A 89 -1.174 -5.180 4.289 1.00 0.00 C ATOM 1405 CD2 TRP A 89 -2.248 -3.221 4.455 1.00 0.00 C ATOM 1406 NE1 TRP A 89 -1.212 -4.831 5.618 1.00 0.00 N ATOM 1407 CE2 TRP A 89 -1.863 -3.632 5.746 1.00 0.00 C ATOM 1408 CE3 TRP A 89 -2.939 -2.014 4.310 1.00 0.00 C ATOM 1409 CZ2 TRP A 89 -2.146 -2.878 6.882 1.00 0.00 C ATOM 1410 CZ3 TRP A 89 -3.218 -1.267 5.439 1.00 0.00 C ATOM 1411 CH2 TRP A 89 -2.822 -1.701 6.710 1.00 0.00 C ATOM 0 H TRP A 89 -1.728 -6.728 1.619 1.00 0.00 H new ATOM 0 HA TRP A 89 -3.998 -4.960 2.189 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -1.053 -4.531 1.573 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -2.199 -3.212 1.714 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -0.718 -6.077 3.897 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -0.819 -5.376 6.385 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -3.249 -1.672 3.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -1.843 -3.210 7.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -3.750 -0.333 5.339 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -3.055 -1.094 7.572 1.00 0.00 H new ATOM 1422 N GLY A 90 -4.755 -4.978 -0.172 1.00 0.00 N ATOM 1423 CA GLY A 90 -5.227 -4.744 -1.523 1.00 0.00 C ATOM 1424 C GLY A 90 -5.497 -3.282 -1.801 1.00 0.00 C ATOM 1425 O GLY A 90 -6.345 -2.667 -1.156 1.00 0.00 O ATOM 0 H GLY A 90 -5.486 -5.215 0.499 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.486 -5.114 -2.232 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -6.140 -5.316 -1.689 1.00 0.00 H new ATOM 1429 N LEU A 91 -4.774 -2.723 -2.761 1.00 0.00 N ATOM 1430 CA LEU A 91 -4.939 -1.323 -3.119 1.00 0.00 C ATOM 1431 C LEU A 91 -5.707 -1.171 -4.423 1.00 0.00 C ATOM 1432 O LEU A 91 -5.192 -1.488 -5.493 1.00 0.00 O ATOM 1433 CB LEU A 91 -3.574 -0.644 -3.254 1.00 0.00 C ATOM 1434 CG LEU A 91 -3.147 0.192 -2.051 1.00 0.00 C ATOM 1435 CD1 LEU A 91 -4.082 1.377 -1.873 1.00 0.00 C ATOM 1436 CD2 LEU A 91 -3.113 -0.669 -0.797 1.00 0.00 C ATOM 0 H LEU A 91 -4.068 -3.218 -3.305 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.509 -0.846 -2.322 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.820 -1.411 -3.431 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.590 -0.003 -4.136 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.142 0.577 -2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.765 1.964 -1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.054 2.000 -2.767 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.099 1.018 -1.713 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.807 -0.061 0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.105 -1.080 -0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.403 -1.484 -0.934 1.00 0.00 H new ATOM 1448 N ASN A 92 -6.931 -0.664 -4.335 1.00 0.00 N ATOM 1449 CA ASN A 92 -7.741 -0.455 -5.529 1.00 0.00 C ATOM 1450 C ASN A 92 -7.539 0.960 -6.052 1.00 0.00 C ATOM 1451 O ASN A 92 -8.019 1.930 -5.468 1.00 0.00 O ATOM 1452 CB ASN A 92 -9.223 -0.692 -5.243 1.00 0.00 C ATOM 1453 CG ASN A 92 -9.996 -1.103 -6.486 1.00 0.00 C ATOM 1454 OD1 ASN A 92 -10.925 -1.907 -6.408 1.00 0.00 O ATOM 1455 ND2 ASN A 92 -9.623 -0.553 -7.644 1.00 0.00 N ATOM 0 H ASN A 92 -7.380 -0.393 -3.460 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.420 -1.174 -6.283 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -9.324 -1.467 -4.483 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -9.660 0.217 -4.831 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -10.113 -0.795 -8.505 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -8.848 0.110 -7.668 1.00 0.00 H new ATOM 1462 N PHE A 93 -6.808 1.062 -7.153 1.00 0.00 N ATOM 1463 CA PHE A 93 -6.510 2.348 -7.764 1.00 0.00 C ATOM 1464 C PHE A 93 -7.718 2.938 -8.476 1.00 0.00 C ATOM 1465 O PHE A 93 -8.657 2.228 -8.832 1.00 0.00 O ATOM 1466 CB PHE A 93 -5.356 2.189 -8.746 1.00 0.00 C ATOM 1467 CG PHE A 93 -4.116 1.636 -8.108 1.00 0.00 C ATOM 1468 CD1 PHE A 93 -3.326 2.430 -7.293 1.00 0.00 C ATOM 1469 CD2 PHE A 93 -3.749 0.318 -8.310 1.00 0.00 C ATOM 1470 CE1 PHE A 93 -2.196 1.921 -6.694 1.00 0.00 C ATOM 1471 CE2 PHE A 93 -2.616 -0.197 -7.715 1.00 0.00 C ATOM 1472 CZ PHE A 93 -1.838 0.606 -6.905 1.00 0.00 C ATOM 0 H PHE A 93 -6.408 0.262 -7.644 1.00 0.00 H new ATOM 0 HA PHE A 93 -6.232 3.039 -6.968 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -5.665 1.531 -9.558 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -5.128 3.158 -9.191 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -3.600 3.461 -7.125 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -4.356 -0.315 -8.940 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.590 2.551 -6.059 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.338 -1.227 -7.883 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.951 0.205 -6.438 1.00 0.00 H new ATOM 1482 N GLY A 94 -7.675 4.251 -8.680 1.00 0.00 N ATOM 1483 CA GLY A 94 -8.763 4.935 -9.352 1.00 0.00 C ATOM 1484 C GLY A 94 -8.544 5.033 -10.849 1.00 0.00 C ATOM 1485 O GLY A 94 -9.500 5.095 -11.623 1.00 0.00 O ATOM 0 H GLY A 94 -6.904 4.854 -8.391 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.696 4.407 -9.157 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.871 5.937 -8.937 1.00 0.00 H new ATOM 1489 N SER A 95 -7.279 5.045 -11.259 1.00 0.00 N ATOM 1490 CA SER A 95 -6.931 5.133 -12.673 1.00 0.00 C ATOM 1491 C SER A 95 -5.678 4.318 -12.972 1.00 0.00 C ATOM 1492 O SER A 95 -4.916 3.978 -12.068 1.00 0.00 O ATOM 1493 CB SER A 95 -6.713 6.593 -13.077 1.00 0.00 C ATOM 1494 OG SER A 95 -7.079 6.807 -14.429 1.00 0.00 O ATOM 0 H SER A 95 -6.477 4.995 -10.631 1.00 0.00 H new ATOM 0 HA SER A 95 -7.758 4.724 -13.253 1.00 0.00 H new ATOM 0 HB2 SER A 95 -7.301 7.244 -12.430 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.666 6.861 -12.933 1.00 0.00 H new ATOM 0 HG SER A 95 -6.932 7.747 -14.663 1.00 0.00 H new ATOM 1500 N LYS A 96 -5.471 4.004 -14.247 1.00 0.00 N ATOM 1501 CA LYS A 96 -4.310 3.227 -14.663 1.00 0.00 C ATOM 1502 C LYS A 96 -3.012 3.933 -14.282 1.00 0.00 C ATOM 1503 O LYS A 96 -1.989 3.288 -14.050 1.00 0.00 O ATOM 1504 CB LYS A 96 -4.348 2.983 -16.174 1.00 0.00 C ATOM 1505 CG LYS A 96 -4.455 4.257 -16.994 1.00 0.00 C ATOM 1506 CD LYS A 96 -5.161 4.010 -18.318 1.00 0.00 C ATOM 1507 CE LYS A 96 -6.614 3.608 -18.110 1.00 0.00 C ATOM 1508 NZ LYS A 96 -6.975 2.403 -18.906 1.00 0.00 N ATOM 0 H LYS A 96 -6.092 4.276 -15.009 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.344 2.268 -14.145 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.447 2.446 -16.469 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -5.195 2.338 -16.408 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -4.999 5.012 -16.426 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -3.458 4.655 -17.181 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -5.116 4.911 -18.929 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -4.641 3.226 -18.868 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -6.788 3.410 -17.052 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.264 4.437 -18.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -7.972 2.161 -18.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -6.833 2.600 -19.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -6.372 1.605 -18.621 1.00 0.00 H new ATOM 1522 N GLU A 97 -3.059 5.260 -14.221 1.00 0.00 N ATOM 1523 CA GLU A 97 -1.884 6.049 -13.868 1.00 0.00 C ATOM 1524 C GLU A 97 -1.478 5.806 -12.419 1.00 0.00 C ATOM 1525 O GLU A 97 -0.340 5.428 -12.141 1.00 0.00 O ATOM 1526 CB GLU A 97 -2.155 7.538 -14.093 1.00 0.00 C ATOM 1527 CG GLU A 97 -2.042 7.963 -15.547 1.00 0.00 C ATOM 1528 CD GLU A 97 -0.616 8.286 -15.951 1.00 0.00 C ATOM 1529 OE1 GLU A 97 0.288 7.487 -15.628 1.00 0.00 O ATOM 1530 OE2 GLU A 97 -0.404 9.338 -16.591 1.00 0.00 O ATOM 0 H GLU A 97 -3.896 5.811 -14.411 1.00 0.00 H new ATOM 0 HA GLU A 97 -1.062 5.736 -14.512 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -3.155 7.776 -13.730 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.453 8.121 -13.497 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.425 7.167 -16.185 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.671 8.837 -15.716 1.00 0.00 H new ATOM 1537 N ASP A 98 -2.416 6.015 -11.499 1.00 0.00 N ATOM 1538 CA ASP A 98 -2.152 5.808 -10.077 1.00 0.00 C ATOM 1539 C ASP A 98 -1.485 4.455 -9.851 1.00 0.00 C ATOM 1540 O ASP A 98 -0.374 4.376 -9.327 1.00 0.00 O ATOM 1541 CB ASP A 98 -3.454 5.889 -9.279 1.00 0.00 C ATOM 1542 CG ASP A 98 -4.266 7.123 -9.621 1.00 0.00 C ATOM 1543 OD1 ASP A 98 -3.659 8.147 -9.997 1.00 0.00 O ATOM 1544 OD2 ASP A 98 -5.509 7.065 -9.511 1.00 0.00 O ATOM 0 H ASP A 98 -3.364 6.327 -11.711 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.478 6.593 -9.733 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -4.052 4.999 -9.473 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -3.224 5.892 -8.213 1.00 0.00 H new ATOM 1549 N ALA A 99 -2.174 3.396 -10.261 1.00 0.00 N ATOM 1550 CA ALA A 99 -1.662 2.037 -10.119 1.00 0.00 C ATOM 1551 C ALA A 99 -0.216 1.926 -10.597 1.00 0.00 C ATOM 1552 O ALA A 99 0.578 1.177 -10.029 1.00 0.00 O ATOM 1553 CB ALA A 99 -2.545 1.067 -10.888 1.00 0.00 C ATOM 0 H ALA A 99 -3.094 3.453 -10.697 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.680 1.782 -9.059 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.156 0.055 -10.777 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.561 1.110 -10.496 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -2.552 1.339 -11.943 1.00 0.00 H new ATOM 1559 N ALA A 100 0.121 2.673 -11.645 1.00 0.00 N ATOM 1560 CA ALA A 100 1.471 2.648 -12.196 1.00 0.00 C ATOM 1561 C ALA A 100 2.453 3.391 -11.295 1.00 0.00 C ATOM 1562 O ALA A 100 3.638 3.059 -11.248 1.00 0.00 O ATOM 1563 CB ALA A 100 1.478 3.244 -13.595 1.00 0.00 C ATOM 0 H ALA A 100 -0.521 3.301 -12.128 1.00 0.00 H new ATOM 0 HA ALA A 100 1.793 1.608 -12.252 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.491 3.220 -13.996 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.818 2.664 -14.241 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.129 4.276 -13.553 1.00 0.00 H new ATOM 1569 N GLN A 101 1.957 4.398 -10.586 1.00 0.00 N ATOM 1570 CA GLN A 101 2.797 5.190 -9.693 1.00 0.00 C ATOM 1571 C GLN A 101 3.090 4.439 -8.397 1.00 0.00 C ATOM 1572 O GLN A 101 4.243 4.338 -7.972 1.00 0.00 O ATOM 1573 CB GLN A 101 2.120 6.525 -9.377 1.00 0.00 C ATOM 1574 CG GLN A 101 3.041 7.533 -8.709 1.00 0.00 C ATOM 1575 CD GLN A 101 4.173 7.976 -9.613 1.00 0.00 C ATOM 1576 OE1 GLN A 101 4.132 9.062 -10.193 1.00 0.00 O ATOM 1577 NE2 GLN A 101 5.195 7.137 -9.738 1.00 0.00 N ATOM 0 H GLN A 101 0.979 4.686 -10.611 1.00 0.00 H new ATOM 0 HA GLN A 101 3.743 5.376 -10.201 1.00 0.00 H new ATOM 0 HB2 GLN A 101 1.735 6.955 -10.302 1.00 0.00 H new ATOM 0 HB3 GLN A 101 1.263 6.343 -8.728 1.00 0.00 H new ATOM 0 HG2 GLN A 101 2.461 8.404 -8.406 1.00 0.00 H new ATOM 0 HG3 GLN A 101 3.456 7.095 -7.801 1.00 0.00 H new ATOM 0 HE21 GLN A 101 5.188 6.247 -9.239 1.00 0.00 H new ATOM 0 HE22 GLN A 101 5.987 7.383 -10.333 1.00 0.00 H new ATOM 1586 N PHE A 102 2.039 3.916 -7.771 1.00 0.00 N ATOM 1587 CA PHE A 102 2.181 3.177 -6.519 1.00 0.00 C ATOM 1588 C PHE A 102 3.243 2.088 -6.639 1.00 0.00 C ATOM 1589 O PHE A 102 4.174 2.025 -5.835 1.00 0.00 O ATOM 1590 CB PHE A 102 0.838 2.566 -6.112 1.00 0.00 C ATOM 1591 CG PHE A 102 0.732 2.260 -4.646 1.00 0.00 C ATOM 1592 CD1 PHE A 102 1.083 3.215 -3.705 1.00 0.00 C ATOM 1593 CD2 PHE A 102 0.279 1.023 -4.203 1.00 0.00 C ATOM 1594 CE1 PHE A 102 0.986 2.947 -2.354 1.00 0.00 C ATOM 1595 CE2 PHE A 102 0.182 0.752 -2.853 1.00 0.00 C ATOM 1596 CZ PHE A 102 0.535 1.714 -1.927 1.00 0.00 C ATOM 0 H PHE A 102 1.080 3.990 -8.110 1.00 0.00 H new ATOM 0 HA PHE A 102 2.502 3.876 -5.747 1.00 0.00 H new ATOM 0 HB2 PHE A 102 0.038 3.252 -6.389 1.00 0.00 H new ATOM 0 HB3 PHE A 102 0.681 1.648 -6.678 1.00 0.00 H new ATOM 0 HD1 PHE A 102 1.437 4.181 -4.033 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.000 0.267 -4.922 1.00 0.00 H new ATOM 0 HE1 PHE A 102 1.263 3.701 -1.632 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -0.170 -0.213 -2.521 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.458 1.502 -0.871 1.00 0.00 H new ATOM 1606 N ALA A 103 3.104 1.239 -7.649 1.00 0.00 N ATOM 1607 CA ALA A 103 4.059 0.161 -7.874 1.00 0.00 C ATOM 1608 C ALA A 103 5.446 0.718 -8.163 1.00 0.00 C ATOM 1609 O ALA A 103 6.456 0.116 -7.801 1.00 0.00 O ATOM 1610 CB ALA A 103 3.600 -0.712 -9.027 1.00 0.00 C ATOM 0 H ALA A 103 2.341 1.275 -8.325 1.00 0.00 H new ATOM 0 HA ALA A 103 4.112 -0.443 -6.968 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.321 -1.514 -9.186 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.626 -1.141 -8.793 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.523 -0.109 -9.932 1.00 0.00 H new ATOM 1616 N ALA A 104 5.481 1.872 -8.819 1.00 0.00 N ATOM 1617 CA ALA A 104 6.741 2.524 -9.167 1.00 0.00 C ATOM 1618 C ALA A 104 7.703 2.531 -7.985 1.00 0.00 C ATOM 1619 O ALA A 104 8.736 1.854 -7.999 1.00 0.00 O ATOM 1620 CB ALA A 104 6.478 3.948 -9.641 1.00 0.00 C ATOM 0 H ALA A 104 4.649 2.378 -9.122 1.00 0.00 H new ATOM 0 HA ALA A 104 7.205 1.958 -9.974 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.423 4.426 -9.898 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.832 3.926 -10.519 1.00 0.00 H new ATOM 0 HB3 ALA A 104 5.991 4.512 -8.846 1.00 0.00 H new ATOM 1626 N GLY A 105 7.349 3.286 -6.956 1.00 0.00 N ATOM 1627 CA GLY A 105 8.186 3.356 -5.774 1.00 0.00 C ATOM 1628 C GLY A 105 8.278 2.022 -5.082 1.00 0.00 C ATOM 1629 O GLY A 105 9.347 1.616 -4.624 1.00 0.00 O ATOM 0 H GLY A 105 6.500 3.850 -6.917 1.00 0.00 H new ATOM 0 HA2 GLY A 105 9.185 3.691 -6.054 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.782 4.097 -5.085 1.00 0.00 H new ATOM 1633 N MET A 106 7.148 1.333 -5.015 1.00 0.00 N ATOM 1634 CA MET A 106 7.086 0.027 -4.384 1.00 0.00 C ATOM 1635 C MET A 106 8.174 -0.880 -4.934 1.00 0.00 C ATOM 1636 O MET A 106 9.020 -1.373 -4.192 1.00 0.00 O ATOM 1637 CB MET A 106 5.724 -0.607 -4.619 1.00 0.00 C ATOM 1638 CG MET A 106 5.611 -1.980 -4.002 1.00 0.00 C ATOM 1639 SD MET A 106 5.511 -1.909 -2.208 1.00 0.00 S ATOM 1640 CE MET A 106 5.805 -3.624 -1.826 1.00 0.00 C ATOM 0 H MET A 106 6.259 1.661 -5.392 1.00 0.00 H new ATOM 0 HA MET A 106 7.240 0.156 -3.313 1.00 0.00 H new ATOM 0 HB2 MET A 106 4.950 0.039 -4.205 1.00 0.00 H new ATOM 0 HB3 MET A 106 5.540 -0.678 -5.691 1.00 0.00 H new ATOM 0 HG2 MET A 106 4.726 -2.482 -4.394 1.00 0.00 H new ATOM 0 HG3 MET A 106 6.473 -2.580 -4.293 1.00 0.00 H new ATOM 0 HE1 MET A 106 4.963 -4.020 -1.258 1.00 0.00 H new ATOM 0 HE2 MET A 106 5.917 -4.189 -2.751 1.00 0.00 H new ATOM 0 HE3 MET A 106 6.716 -3.714 -1.234 1.00 0.00 H new ATOM 1650 N ALA A 107 8.143 -1.085 -6.244 1.00 0.00 N ATOM 1651 CA ALA A 107 9.136 -1.918 -6.911 1.00 0.00 C ATOM 1652 C ALA A 107 10.527 -1.558 -6.414 1.00 0.00 C ATOM 1653 O ALA A 107 11.378 -2.426 -6.220 1.00 0.00 O ATOM 1654 CB ALA A 107 9.046 -1.749 -8.420 1.00 0.00 C ATOM 0 H ALA A 107 7.441 -0.686 -6.867 1.00 0.00 H new ATOM 0 HA ALA A 107 8.938 -2.963 -6.675 1.00 0.00 H new ATOM 0 HB1 ALA A 107 9.794 -2.378 -8.902 1.00 0.00 H new ATOM 0 HB2 ALA A 107 8.053 -2.041 -8.760 1.00 0.00 H new ATOM 0 HB3 ALA A 107 9.226 -0.706 -8.681 1.00 0.00 H new ATOM 1660 N SER A 108 10.738 -0.264 -6.185 1.00 0.00 N ATOM 1661 CA SER A 108 12.013 0.220 -5.679 1.00 0.00 C ATOM 1662 C SER A 108 12.263 -0.331 -4.280 1.00 0.00 C ATOM 1663 O SER A 108 13.390 -0.684 -3.932 1.00 0.00 O ATOM 1664 CB SER A 108 12.033 1.749 -5.652 1.00 0.00 C ATOM 1665 OG SER A 108 13.358 2.244 -5.725 1.00 0.00 O ATOM 0 H SER A 108 10.042 0.465 -6.343 1.00 0.00 H new ATOM 0 HA SER A 108 12.804 -0.126 -6.344 1.00 0.00 H new ATOM 0 HB2 SER A 108 11.450 2.138 -6.487 1.00 0.00 H new ATOM 0 HB3 SER A 108 11.558 2.106 -4.738 1.00 0.00 H new ATOM 0 HG SER A 108 13.343 3.224 -5.708 1.00 0.00 H new ATOM 1671 N ALA A 109 11.197 -0.416 -3.484 1.00 0.00 N ATOM 1672 CA ALA A 109 11.298 -0.940 -2.125 1.00 0.00 C ATOM 1673 C ALA A 109 11.674 -2.414 -2.144 1.00 0.00 C ATOM 1674 O ALA A 109 12.635 -2.827 -1.502 1.00 0.00 O ATOM 1675 CB ALA A 109 9.987 -0.746 -1.374 1.00 0.00 C ATOM 0 H ALA A 109 10.257 -0.129 -3.757 1.00 0.00 H new ATOM 0 HA ALA A 109 12.082 -0.386 -1.608 1.00 0.00 H new ATOM 0 HB1 ALA A 109 10.084 -1.143 -0.364 1.00 0.00 H new ATOM 0 HB2 ALA A 109 9.750 0.317 -1.325 1.00 0.00 H new ATOM 0 HB3 ALA A 109 9.188 -1.272 -1.896 1.00 0.00 H new ATOM 1681 N LEU A 110 10.908 -3.199 -2.890 1.00 0.00 N ATOM 1682 CA LEU A 110 11.155 -4.631 -2.999 1.00 0.00 C ATOM 1683 C LEU A 110 12.475 -4.907 -3.715 1.00 0.00 C ATOM 1684 O LEU A 110 12.995 -6.023 -3.669 1.00 0.00 O ATOM 1685 CB LEU A 110 10.002 -5.310 -3.747 1.00 0.00 C ATOM 1686 CG LEU A 110 8.600 -4.825 -3.364 1.00 0.00 C ATOM 1687 CD1 LEU A 110 7.575 -5.285 -4.390 1.00 0.00 C ATOM 1688 CD2 LEU A 110 8.228 -5.317 -1.973 1.00 0.00 C ATOM 0 H LEU A 110 10.109 -2.867 -3.430 1.00 0.00 H new ATOM 0 HA LEU A 110 11.220 -5.041 -1.991 1.00 0.00 H new ATOM 0 HB2 LEU A 110 10.143 -5.155 -4.817 1.00 0.00 H new ATOM 0 HB3 LEU A 110 10.058 -6.384 -3.570 1.00 0.00 H new ATOM 0 HG LEU A 110 8.604 -3.735 -3.352 1.00 0.00 H new ATOM 0 HD11 LEU A 110 6.586 -4.931 -4.100 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.833 -4.880 -5.369 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.571 -6.374 -4.437 1.00 0.00 H new ATOM 0 HD21 LEU A 110 7.229 -4.963 -1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.242 -6.407 -1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.946 -4.934 -1.248 1.00 0.00 H new ATOM 1700 N GLU A 111 13.007 -3.889 -4.380 1.00 0.00 N ATOM 1701 CA GLU A 111 14.257 -4.022 -5.112 1.00 0.00 C ATOM 1702 C GLU A 111 15.437 -3.490 -4.311 1.00 0.00 C ATOM 1703 O GLU A 111 16.581 -3.884 -4.535 1.00 0.00 O ATOM 1704 CB GLU A 111 14.163 -3.271 -6.430 1.00 0.00 C ATOM 1705 CG GLU A 111 13.494 -4.074 -7.524 1.00 0.00 C ATOM 1706 CD GLU A 111 13.796 -3.543 -8.911 1.00 0.00 C ATOM 1707 OE1 GLU A 111 13.261 -2.472 -9.266 1.00 0.00 O ATOM 1708 OE2 GLU A 111 14.567 -4.199 -9.643 1.00 0.00 O ATOM 0 H GLU A 111 12.589 -2.960 -4.426 1.00 0.00 H new ATOM 0 HA GLU A 111 14.423 -5.083 -5.296 1.00 0.00 H new ATOM 0 HB2 GLU A 111 13.608 -2.346 -6.275 1.00 0.00 H new ATOM 0 HB3 GLU A 111 15.165 -2.991 -6.754 1.00 0.00 H new ATOM 0 HG2 GLU A 111 13.821 -5.112 -7.458 1.00 0.00 H new ATOM 0 HG3 GLU A 111 12.416 -4.069 -7.365 1.00 0.00 H new ATOM 1715 N ALA A 112 15.151 -2.604 -3.371 1.00 0.00 N ATOM 1716 CA ALA A 112 16.188 -2.028 -2.529 1.00 0.00 C ATOM 1717 C ALA A 112 16.254 -2.772 -1.209 1.00 0.00 C ATOM 1718 O ALA A 112 17.074 -2.462 -0.343 1.00 0.00 O ATOM 1719 CB ALA A 112 15.928 -0.549 -2.288 1.00 0.00 C ATOM 0 H ALA A 112 14.209 -2.268 -3.171 1.00 0.00 H new ATOM 0 HA ALA A 112 17.145 -2.126 -3.041 1.00 0.00 H new ATOM 0 HB1 ALA A 112 16.716 -0.139 -1.656 1.00 0.00 H new ATOM 0 HB2 ALA A 112 15.917 -0.021 -3.242 1.00 0.00 H new ATOM 0 HB3 ALA A 112 14.965 -0.425 -1.793 1.00 0.00 H new ATOM 1725 N LEU A 113 15.376 -3.753 -1.063 1.00 0.00 N ATOM 1726 CA LEU A 113 15.314 -4.545 0.146 1.00 0.00 C ATOM 1727 C LEU A 113 15.665 -5.997 -0.155 1.00 0.00 C ATOM 1728 O LEU A 113 16.267 -6.686 0.669 1.00 0.00 O ATOM 1729 CB LEU A 113 13.913 -4.430 0.746 1.00 0.00 C ATOM 1730 CG LEU A 113 13.841 -3.778 2.130 1.00 0.00 C ATOM 1731 CD1 LEU A 113 14.218 -4.779 3.212 1.00 0.00 C ATOM 1732 CD2 LEU A 113 14.745 -2.552 2.197 1.00 0.00 C ATOM 0 H LEU A 113 14.695 -4.017 -1.774 1.00 0.00 H new ATOM 0 HA LEU A 113 16.040 -4.173 0.869 1.00 0.00 H new ATOM 0 HB2 LEU A 113 13.289 -3.857 0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 113 13.481 -5.429 0.811 1.00 0.00 H new ATOM 0 HG LEU A 113 12.814 -3.455 2.302 1.00 0.00 H new ATOM 0 HD11 LEU A 113 14.161 -4.298 4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 113 13.529 -5.623 3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 113 15.234 -5.134 3.041 1.00 0.00 H new ATOM 0 HD21 LEU A 113 14.678 -2.105 3.189 1.00 0.00 H new ATOM 0 HD22 LEU A 113 15.775 -2.849 2.001 1.00 0.00 H new ATOM 0 HD23 LEU A 113 14.428 -1.825 1.449 1.00 0.00 H new ATOM 1744 N GLU A 114 15.296 -6.451 -1.350 1.00 0.00 N ATOM 1745 CA GLU A 114 15.581 -7.816 -1.772 1.00 0.00 C ATOM 1746 C GLU A 114 16.896 -7.879 -2.542 1.00 0.00 C ATOM 1747 O GLU A 114 17.581 -8.902 -2.536 1.00 0.00 O ATOM 1748 CB GLU A 114 14.444 -8.354 -2.643 1.00 0.00 C ATOM 1749 CG GLU A 114 13.074 -8.244 -1.994 1.00 0.00 C ATOM 1750 CD GLU A 114 11.964 -8.766 -2.884 1.00 0.00 C ATOM 1751 OE1 GLU A 114 11.546 -8.032 -3.806 1.00 0.00 O ATOM 1752 OE2 GLU A 114 11.511 -9.909 -2.661 1.00 0.00 O ATOM 0 H GLU A 114 14.798 -5.891 -2.043 1.00 0.00 H new ATOM 0 HA GLU A 114 15.668 -8.435 -0.879 1.00 0.00 H new ATOM 0 HB2 GLU A 114 14.434 -7.811 -3.588 1.00 0.00 H new ATOM 0 HB3 GLU A 114 14.642 -9.400 -2.879 1.00 0.00 H new ATOM 0 HG2 GLU A 114 13.075 -8.800 -1.056 1.00 0.00 H new ATOM 0 HG3 GLU A 114 12.876 -7.201 -1.746 1.00 0.00 H new ATOM 1759 N GLY A 115 17.244 -6.779 -3.205 1.00 0.00 N ATOM 1760 CA GLY A 115 18.476 -6.735 -3.969 1.00 0.00 C ATOM 1761 C GLY A 115 18.254 -6.999 -5.445 1.00 0.00 C ATOM 1762 O GLY A 115 17.297 -7.729 -5.780 1.00 0.00 O ATOM 1763 OXT GLY A 115 19.035 -6.474 -6.267 1.00 0.00 O ATOM 0 H GLY A 115 16.695 -5.920 -3.226 1.00 0.00 H new ATOM 0 HA2 GLY A 115 18.942 -5.758 -3.844 1.00 0.00 H new ATOM 0 HA3 GLY A 115 19.172 -7.474 -3.572 1.00 0.00 H new