USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 960 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 15 HIS : no HD1:sc= -0.986 X(o=-0.029,f=0.17) USER MOD Set 1.2: A 89 THR OG1 : rot 56:sc= 0.956 USER MOD Set 2.1: A 51 THR OG1 : rot 174:sc=-0.000803 USER MOD Set 2.2: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 46 ASN : amide:sc= -0.296 K(o=0.35,f=0.86) USER MOD Set 3.2: A 50 SER OG : rot -107:sc= 0.648 USER MOD Set 4.1: A 33 LYS NZ :NH3+ -122:sc= 0.0359 (180deg=0) USER MOD Set 4.2: A 37 ASN : amide:sc= 0.0348 X(o=0.071,f=-0.021) USER MOD Set 5.1: A 24 SER OG : rot 180:sc= -0.142 USER MOD Set 5.2: A 27 ASN : amide:sc= -3.23! K(o=-3.4!,f=1.3) USER MOD Set 6.1: A 23 TYR OH : rot -110:sc= 0.101 USER MOD Set 6.2: A 106 ASN : amide:sc= -0.187 X(o=-0.087,f=0.41) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 148:sc= -0.261 (180deg=-1.29!) USER MOD Single : A 12 MET CE :methyl 178:sc= -14.1! (180deg=-14.9!) USER MOD Single : A 13 LYS NZ :NH3+ -164:sc= -0.0139 (180deg=-0.13) USER MOD Single : A 19 ASN : amide:sc= -0.143 X(o=-0.14,f=-0.3) USER MOD Single : A 20 TYR OH : rot -15:sc= -1.71 USER MOD Single : A 36 SER OG : rot -97:sc= -1.24! USER MOD Single : A 39 ASN : amide:sc= -0.252 K(o=-0.25,f=-4.4!) USER MOD Single : A 40 THR OG1 : rot 86:sc= 1.25 USER MOD Single : A 41 GLN : amide:sc= -0.019 X(o=-0.019,f=-0.26) USER MOD Single : A 43 THR OG1 : rot -14:sc= 0.392! USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -2.65! C(o=-2.6!,f=-3.4!) USER MOD Single : A 59 ASN : amide:sc= -5.04! C(o=-5!,f=-5!) USER MOD Single : A 60 SER OG : rot 111:sc= 0.217 USER MOD Single : A 65 ASN : amide:sc=-0.00751 X(o=-0.0075,f=-0.11) USER MOD Single : A 69 THR OG1 : rot 72:sc= 1.1 USER MOD Single : A 72 SER OG : rot -46:sc= 0.561 USER MOD Single : A 74 ASN : amide:sc= -4.6! C(o=-4.6!,f=-3.8!) USER MOD Single : A 77 ASN : amide:sc= 0.119 X(o=0.12,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot -89:sc= 0.388 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -94:sc= 1.4 USER MOD Single : A 93 ASN : amide:sc= -4.02! C(o=-4!,f=-8.6!) USER MOD Single : A 96 LYS NZ :NH3+ 137:sc= 0.37 (180deg=-0.0325) USER MOD Single : A 97 LYS NZ :NH3+ -138:sc= 0.67 (180deg=0.028) USER MOD Single : A 100 SER OG : rot -25:sc= 0.705 USER MOD Single : A 103 ASN : amide:sc=-0.00672 X(o=-0.0067,f=-0.1) USER MOD Single : A 105 MET CE :methyl -138:sc= -5.01! (180deg=-6.56!) USER MOD Single : A 113 ASN : amide:sc= -2.04! K(o=-2!,f=-1.5) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -58:sc= 0.762 USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.052 -10.741 1.814 1.00 0.00 N ATOM 2 CA LYS A 1 -5.872 -11.367 1.164 1.00 0.00 C ATOM 3 C LYS A 1 -4.848 -10.315 0.750 1.00 0.00 C ATOM 4 O LYS A 1 -4.995 -9.667 -0.285 1.00 0.00 O ATOM 5 CB LYS A 1 -6.348 -12.149 -0.061 1.00 0.00 C ATOM 6 CG LYS A 1 -5.594 -13.450 -0.284 1.00 0.00 C ATOM 7 CD LYS A 1 -4.480 -13.280 -1.304 1.00 0.00 C ATOM 8 CE LYS A 1 -4.499 -14.392 -2.341 1.00 0.00 C ATOM 9 NZ LYS A 1 -5.838 -14.536 -2.976 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.732 -11.480 2.085 1.00 0.00 H new ATOM 0 H2 LYS A 1 -6.747 -10.223 2.663 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.505 -10.081 1.150 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.387 -12.037 1.873 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.410 -12.369 0.049 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.242 -11.521 -0.946 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -5.174 -13.795 0.661 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -6.287 -14.219 -0.625 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -4.585 -12.316 -1.801 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -3.517 -13.273 -0.794 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -3.753 -14.185 -3.109 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -4.218 -15.333 -1.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -5.723 -14.852 -3.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -6.398 -15.237 -2.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -6.329 -13.619 -2.962 1.00 0.00 H new ATOM 25 N VAL A 2 -3.811 -10.153 1.565 1.00 0.00 N ATOM 26 CA VAL A 2 -2.761 -9.180 1.286 1.00 0.00 C ATOM 27 C VAL A 2 -1.603 -9.825 0.529 1.00 0.00 C ATOM 28 O VAL A 2 -1.265 -10.984 0.767 1.00 0.00 O ATOM 29 CB VAL A 2 -2.221 -8.548 2.590 1.00 0.00 C ATOM 30 CG1 VAL A 2 -0.965 -7.732 2.325 1.00 0.00 C ATOM 31 CG2 VAL A 2 -3.280 -7.679 3.245 1.00 0.00 C ATOM 0 H VAL A 2 -3.675 -10.684 2.425 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.206 -8.399 0.669 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.965 -9.360 3.270 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.608 -7.300 3.260 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.193 -8.378 1.906 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.192 -6.933 1.619 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.879 -7.244 4.161 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.570 -6.881 2.561 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.153 -8.287 3.484 1.00 0.00 H new ATOM 41 N PHE A 3 -0.979 -9.057 -0.359 1.00 0.00 N ATOM 42 CA PHE A 3 0.160 -9.536 -1.123 1.00 0.00 C ATOM 43 C PHE A 3 1.331 -9.838 -0.198 1.00 0.00 C ATOM 44 O PHE A 3 1.374 -9.379 0.944 1.00 0.00 O ATOM 45 CB PHE A 3 0.616 -8.475 -2.127 1.00 0.00 C ATOM 46 CG PHE A 3 -0.105 -8.493 -3.439 1.00 0.00 C ATOM 47 CD1 PHE A 3 0.293 -9.347 -4.450 1.00 0.00 C ATOM 48 CD2 PHE A 3 -1.167 -7.635 -3.665 1.00 0.00 C ATOM 49 CE1 PHE A 3 -0.358 -9.349 -5.666 1.00 0.00 C ATOM 50 CE2 PHE A 3 -1.821 -7.630 -4.879 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.417 -8.489 -5.882 1.00 0.00 C ATOM 0 H PHE A 3 -1.248 -8.095 -0.565 1.00 0.00 H new ATOM 0 HA PHE A 3 -0.150 -10.440 -1.646 1.00 0.00 H new ATOM 0 HB2 PHE A 3 0.491 -7.491 -1.675 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.682 -8.607 -2.314 1.00 0.00 H new ATOM 0 HD1 PHE A 3 1.122 -10.020 -4.286 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -1.487 -6.963 -2.883 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -0.040 -10.022 -6.448 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -2.648 -6.955 -5.045 1.00 0.00 H new ATOM 0 HZ PHE A 3 -1.928 -8.488 -6.833 1.00 0.00 H new ATOM 61 N GLY A 4 2.287 -10.589 -0.714 1.00 0.00 N ATOM 62 CA GLY A 4 3.470 -10.923 0.052 1.00 0.00 C ATOM 63 C GLY A 4 4.527 -9.848 -0.089 1.00 0.00 C ATOM 64 O GLY A 4 4.501 -9.081 -1.048 1.00 0.00 O ATOM 0 H GLY A 4 2.266 -10.977 -1.657 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.206 -11.043 1.103 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.870 -11.879 -0.287 1.00 0.00 H new ATOM 68 N ARG A 5 5.450 -9.778 0.859 1.00 0.00 N ATOM 69 CA ARG A 5 6.501 -8.768 0.807 1.00 0.00 C ATOM 70 C ARG A 5 7.253 -8.840 -0.510 1.00 0.00 C ATOM 71 O ARG A 5 7.220 -7.898 -1.300 1.00 0.00 O ATOM 72 CB ARG A 5 7.467 -8.931 1.982 1.00 0.00 C ATOM 73 CG ARG A 5 7.525 -7.718 2.894 1.00 0.00 C ATOM 74 CD ARG A 5 7.724 -8.121 4.346 1.00 0.00 C ATOM 75 NE ARG A 5 8.990 -8.818 4.553 1.00 0.00 N ATOM 76 CZ ARG A 5 10.161 -8.199 4.668 1.00 0.00 C ATOM 77 NH1 ARG A 5 10.227 -6.876 4.599 1.00 0.00 N ATOM 78 NH2 ARG A 5 11.269 -8.905 4.855 1.00 0.00 N ATOM 0 H ARG A 5 5.495 -10.400 1.666 1.00 0.00 H new ATOM 0 HA ARG A 5 6.031 -7.788 0.881 1.00 0.00 H new ATOM 0 HB2 ARG A 5 7.170 -9.801 2.567 1.00 0.00 H new ATOM 0 HB3 ARG A 5 8.466 -9.132 1.595 1.00 0.00 H new ATOM 0 HG2 ARG A 5 8.340 -7.065 2.582 1.00 0.00 H new ATOM 0 HG3 ARG A 5 6.603 -7.145 2.798 1.00 0.00 H new ATOM 0 HD2 ARG A 5 7.693 -7.232 4.976 1.00 0.00 H new ATOM 0 HD3 ARG A 5 6.901 -8.763 4.660 1.00 0.00 H new ATOM 0 HE ARG A 5 8.975 -9.836 4.613 1.00 0.00 H new ATOM 0 HH11 ARG A 5 9.377 -6.330 4.457 1.00 0.00 H new ATOM 0 HH12 ARG A 5 11.127 -6.405 4.688 1.00 0.00 H new ATOM 0 HH21 ARG A 5 11.222 -9.922 4.910 1.00 0.00 H new ATOM 0 HH22 ARG A 5 12.167 -8.430 4.943 1.00 0.00 H new ATOM 92 N CYS A 6 7.922 -9.957 -0.754 1.00 0.00 N ATOM 93 CA CYS A 6 8.658 -10.117 -1.993 1.00 0.00 C ATOM 94 C CYS A 6 7.730 -10.549 -3.112 1.00 0.00 C ATOM 95 O CYS A 6 7.901 -10.133 -4.251 1.00 0.00 O ATOM 96 CB CYS A 6 9.792 -11.115 -1.839 1.00 0.00 C ATOM 97 SG CYS A 6 10.649 -11.028 -0.236 1.00 0.00 S ATOM 0 H CYS A 6 7.969 -10.754 -0.119 1.00 0.00 H new ATOM 0 HA CYS A 6 9.091 -9.150 -2.247 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.396 -12.122 -1.972 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.517 -10.950 -2.636 1.00 0.00 H new ATOM 102 N GLU A 7 6.736 -11.370 -2.785 1.00 0.00 N ATOM 103 CA GLU A 7 5.780 -11.817 -3.788 1.00 0.00 C ATOM 104 C GLU A 7 5.317 -10.608 -4.584 1.00 0.00 C ATOM 105 O GLU A 7 5.364 -10.592 -5.816 1.00 0.00 O ATOM 106 CB GLU A 7 4.586 -12.513 -3.130 1.00 0.00 C ATOM 107 CG GLU A 7 4.372 -13.939 -3.611 1.00 0.00 C ATOM 108 CD GLU A 7 3.421 -14.019 -4.789 1.00 0.00 C ATOM 109 OE1 GLU A 7 3.731 -13.428 -5.844 1.00 0.00 O ATOM 110 OE2 GLU A 7 2.365 -14.674 -4.656 1.00 0.00 O ATOM 0 H GLU A 7 6.574 -11.734 -1.846 1.00 0.00 H new ATOM 0 HA GLU A 7 6.257 -12.539 -4.451 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.731 -12.521 -2.050 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.684 -11.933 -3.327 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.332 -14.371 -3.893 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.980 -14.541 -2.791 1.00 0.00 H new ATOM 117 N LEU A 8 4.906 -9.581 -3.851 1.00 0.00 N ATOM 118 CA LEU A 8 4.468 -8.337 -4.447 1.00 0.00 C ATOM 119 C LEU A 8 5.609 -7.696 -5.227 1.00 0.00 C ATOM 120 O LEU A 8 5.410 -7.240 -6.348 1.00 0.00 O ATOM 121 CB LEU A 8 3.978 -7.378 -3.350 1.00 0.00 C ATOM 122 CG LEU A 8 3.564 -5.969 -3.800 1.00 0.00 C ATOM 123 CD1 LEU A 8 4.763 -5.032 -3.815 1.00 0.00 C ATOM 124 CD2 LEU A 8 2.894 -6.000 -5.166 1.00 0.00 C ATOM 0 H LEU A 8 4.869 -9.592 -2.832 1.00 0.00 H new ATOM 0 HA LEU A 8 3.647 -8.544 -5.134 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.126 -7.839 -2.850 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.769 -7.279 -2.606 1.00 0.00 H new ATOM 0 HG LEU A 8 2.840 -5.591 -3.079 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.446 -4.040 -4.137 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.189 -4.970 -2.813 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.515 -5.414 -4.506 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.613 -4.988 -5.456 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.586 -6.409 -5.902 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.002 -6.625 -5.120 1.00 0.00 H new ATOM 136 N ALA A 9 6.808 -7.665 -4.632 1.00 0.00 N ATOM 137 CA ALA A 9 7.964 -7.060 -5.289 1.00 0.00 C ATOM 138 C ALA A 9 8.282 -7.731 -6.618 1.00 0.00 C ATOM 139 O ALA A 9 8.390 -7.061 -7.644 1.00 0.00 O ATOM 140 CB ALA A 9 9.176 -7.088 -4.378 1.00 0.00 C ATOM 0 H ALA A 9 6.998 -8.049 -3.706 1.00 0.00 H new ATOM 0 HA ALA A 9 7.706 -6.022 -5.500 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.025 -6.632 -4.888 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.959 -6.531 -3.466 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.417 -8.120 -4.124 1.00 0.00 H new ATOM 146 N ALA A 10 8.426 -9.053 -6.604 1.00 0.00 N ATOM 147 CA ALA A 10 8.721 -9.797 -7.818 1.00 0.00 C ATOM 148 C ALA A 10 7.751 -9.403 -8.919 1.00 0.00 C ATOM 149 O ALA A 10 8.134 -9.254 -10.080 1.00 0.00 O ATOM 150 CB ALA A 10 8.652 -11.295 -7.555 1.00 0.00 C ATOM 0 H ALA A 10 8.343 -9.628 -5.765 1.00 0.00 H new ATOM 0 HA ALA A 10 9.733 -9.554 -8.141 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.875 -11.836 -8.474 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.380 -11.564 -6.789 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.651 -11.559 -7.213 1.00 0.00 H new ATOM 156 N ALA A 11 6.490 -9.220 -8.540 1.00 0.00 N ATOM 157 CA ALA A 11 5.467 -8.824 -9.494 1.00 0.00 C ATOM 158 C ALA A 11 5.725 -7.420 -9.990 1.00 0.00 C ATOM 159 O ALA A 11 5.524 -7.107 -11.163 1.00 0.00 O ATOM 160 CB ALA A 11 4.082 -8.943 -8.879 1.00 0.00 C ATOM 0 H ALA A 11 6.156 -9.339 -7.584 1.00 0.00 H new ATOM 0 HA ALA A 11 5.510 -9.499 -10.349 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.332 -8.642 -9.610 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.904 -9.976 -8.581 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.016 -8.297 -8.004 1.00 0.00 H new ATOM 166 N MET A 12 6.182 -6.591 -9.081 1.00 0.00 N ATOM 167 CA MET A 12 6.497 -5.199 -9.396 1.00 0.00 C ATOM 168 C MET A 12 7.591 -5.129 -10.447 1.00 0.00 C ATOM 169 O MET A 12 7.455 -4.435 -11.455 1.00 0.00 O ATOM 170 CB MET A 12 6.953 -4.448 -8.149 1.00 0.00 C ATOM 171 CG MET A 12 6.067 -4.674 -6.938 1.00 0.00 C ATOM 172 SD MET A 12 4.890 -3.337 -6.673 1.00 0.00 S ATOM 173 CE MET A 12 5.949 -1.918 -6.917 1.00 0.00 C ATOM 0 H MET A 12 6.348 -6.850 -8.108 1.00 0.00 H new ATOM 0 HA MET A 12 5.590 -4.732 -9.781 1.00 0.00 H new ATOM 0 HB2 MET A 12 7.971 -4.753 -7.905 1.00 0.00 H new ATOM 0 HB3 MET A 12 6.984 -3.381 -8.370 1.00 0.00 H new ATOM 0 HG2 MET A 12 5.524 -5.611 -7.061 1.00 0.00 H new ATOM 0 HG3 MET A 12 6.692 -4.782 -6.052 1.00 0.00 H new ATOM 0 HE1 MET A 12 5.361 -1.005 -6.822 1.00 0.00 H new ATOM 0 HE2 MET A 12 6.739 -1.921 -6.167 1.00 0.00 H new ATOM 0 HE3 MET A 12 6.393 -1.962 -7.912 1.00 0.00 H new ATOM 183 N LYS A 13 8.676 -5.862 -10.207 1.00 0.00 N ATOM 184 CA LYS A 13 9.794 -5.894 -11.137 1.00 0.00 C ATOM 185 C LYS A 13 9.284 -6.219 -12.529 1.00 0.00 C ATOM 186 O LYS A 13 9.676 -5.592 -13.513 1.00 0.00 O ATOM 187 CB LYS A 13 10.828 -6.932 -10.698 1.00 0.00 C ATOM 188 CG LYS A 13 12.264 -6.510 -10.962 1.00 0.00 C ATOM 189 CD LYS A 13 13.161 -7.711 -11.208 1.00 0.00 C ATOM 190 CE LYS A 13 14.418 -7.322 -11.969 1.00 0.00 C ATOM 191 NZ LYS A 13 14.131 -7.017 -13.398 1.00 0.00 N ATOM 0 H LYS A 13 8.801 -6.440 -9.376 1.00 0.00 H new ATOM 0 HA LYS A 13 10.275 -4.916 -11.147 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.705 -7.127 -9.633 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.632 -7.870 -11.218 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.296 -5.847 -11.827 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.640 -5.942 -10.111 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.437 -8.162 -10.255 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.613 -8.466 -11.771 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.873 -6.452 -11.497 1.00 0.00 H new ATOM 0 HE3 LYS A 13 15.144 -8.133 -11.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.019 -7.023 -13.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.486 -7.736 -13.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.688 -6.079 -13.471 1.00 0.00 H new ATOM 205 N ARG A 14 8.390 -7.198 -12.597 1.00 0.00 N ATOM 206 CA ARG A 14 7.804 -7.604 -13.861 1.00 0.00 C ATOM 207 C ARG A 14 6.950 -6.477 -14.415 1.00 0.00 C ATOM 208 O ARG A 14 6.900 -6.258 -15.625 1.00 0.00 O ATOM 209 CB ARG A 14 6.959 -8.866 -13.680 1.00 0.00 C ATOM 210 CG ARG A 14 7.756 -10.070 -13.207 1.00 0.00 C ATOM 211 CD ARG A 14 8.355 -10.836 -14.375 1.00 0.00 C ATOM 212 NE ARG A 14 7.443 -11.855 -14.887 1.00 0.00 N ATOM 213 CZ ARG A 14 6.911 -11.824 -16.106 1.00 0.00 C ATOM 214 NH1 ARG A 14 7.201 -10.829 -16.934 1.00 0.00 N ATOM 215 NH2 ARG A 14 6.090 -12.789 -16.497 1.00 0.00 N ATOM 0 H ARG A 14 8.057 -7.724 -11.789 1.00 0.00 H new ATOM 0 HA ARG A 14 8.606 -7.826 -14.565 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.165 -8.661 -12.962 1.00 0.00 H new ATOM 0 HB3 ARG A 14 6.477 -9.109 -14.627 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.553 -9.741 -12.540 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.110 -10.731 -12.630 1.00 0.00 H new ATOM 0 HD2 ARG A 14 8.606 -10.139 -15.175 1.00 0.00 H new ATOM 0 HD3 ARG A 14 9.286 -11.308 -14.060 1.00 0.00 H new ATOM 0 HE ARG A 14 7.200 -12.634 -14.276 1.00 0.00 H new ATOM 0 HH11 ARG A 14 7.833 -10.086 -16.637 1.00 0.00 H new ATOM 0 HH12 ARG A 14 6.792 -10.807 -17.868 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.866 -13.556 -15.863 1.00 0.00 H new ATOM 0 HH22 ARG A 14 5.683 -12.764 -17.432 1.00 0.00 H new ATOM 229 N HIS A 15 6.253 -5.778 -13.521 1.00 0.00 N ATOM 230 CA HIS A 15 5.371 -4.692 -13.916 1.00 0.00 C ATOM 231 C HIS A 15 6.148 -3.433 -14.271 1.00 0.00 C ATOM 232 O HIS A 15 5.565 -2.466 -14.762 1.00 0.00 O ATOM 233 CB HIS A 15 4.395 -4.380 -12.783 1.00 0.00 C ATOM 234 CG HIS A 15 3.317 -5.403 -12.607 1.00 0.00 C ATOM 235 ND1 HIS A 15 2.261 -5.235 -11.737 1.00 0.00 N ATOM 236 CD2 HIS A 15 3.132 -6.612 -13.191 1.00 0.00 C ATOM 237 CE1 HIS A 15 1.476 -6.293 -11.790 1.00 0.00 C ATOM 238 NE2 HIS A 15 1.980 -7.144 -12.666 1.00 0.00 N ATOM 0 H HIS A 15 6.285 -5.949 -12.516 1.00 0.00 H new ATOM 0 HA HIS A 15 4.827 -5.016 -14.803 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.953 -4.292 -11.851 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.934 -3.410 -12.972 1.00 0.00 H new ATOM 0 HD2 HIS A 15 3.771 -7.071 -13.931 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.574 -6.439 -11.215 1.00 0.00 H new ATOM 0 HE2 HIS A 15 1.579 -8.049 -12.912 1.00 0.00 H new ATOM 247 N GLY A 16 7.466 -3.446 -14.078 1.00 0.00 N ATOM 248 CA GLY A 16 8.270 -2.299 -14.446 1.00 0.00 C ATOM 249 C GLY A 16 8.272 -1.160 -13.445 1.00 0.00 C ATOM 250 O GLY A 16 8.543 -0.022 -13.829 1.00 0.00 O ATOM 0 H GLY A 16 7.985 -4.226 -13.676 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.298 -2.630 -14.597 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.914 -1.919 -15.403 1.00 0.00 H new ATOM 254 N LEU A 17 7.982 -1.419 -12.167 1.00 0.00 N ATOM 255 CA LEU A 17 7.985 -0.327 -11.201 1.00 0.00 C ATOM 256 C LEU A 17 9.400 -0.038 -10.742 1.00 0.00 C ATOM 257 O LEU A 17 9.661 0.948 -10.056 1.00 0.00 O ATOM 258 CB LEU A 17 7.076 -0.624 -10.004 1.00 0.00 C ATOM 259 CG LEU A 17 5.747 -1.329 -10.312 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.634 -0.770 -9.441 1.00 0.00 C ATOM 261 CD2 LEU A 17 5.354 -1.200 -11.779 1.00 0.00 C ATOM 0 H LEU A 17 7.751 -2.339 -11.791 1.00 0.00 H new ATOM 0 HA LEU A 17 7.587 0.558 -11.697 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.633 -1.239 -9.297 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.854 0.318 -9.502 1.00 0.00 H new ATOM 0 HG LEU A 17 5.892 -2.387 -10.093 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.699 -1.281 -9.672 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.881 -0.924 -8.391 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.522 0.297 -9.634 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.408 -1.714 -11.949 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.245 -0.146 -12.035 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.127 -1.647 -12.404 1.00 0.00 H new ATOM 273 N ASP A 18 10.312 -0.893 -11.157 1.00 0.00 N ATOM 274 CA ASP A 18 11.723 -0.736 -10.825 1.00 0.00 C ATOM 275 C ASP A 18 12.333 0.358 -11.692 1.00 0.00 C ATOM 276 O ASP A 18 12.790 0.095 -12.804 1.00 0.00 O ATOM 277 CB ASP A 18 12.474 -2.054 -11.025 1.00 0.00 C ATOM 278 CG ASP A 18 13.979 -1.879 -10.967 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.487 -1.460 -9.906 1.00 0.00 O ATOM 280 OD2 ASP A 18 14.649 -2.162 -11.983 1.00 0.00 O ATOM 0 H ASP A 18 10.104 -1.711 -11.729 1.00 0.00 H new ATOM 0 HA ASP A 18 11.810 -0.452 -9.776 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.164 -2.765 -10.259 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.198 -2.483 -11.988 1.00 0.00 H new ATOM 285 N ASN A 19 12.285 1.591 -11.182 1.00 0.00 N ATOM 286 CA ASN A 19 12.783 2.768 -11.899 1.00 0.00 C ATOM 287 C ASN A 19 11.697 3.285 -12.837 1.00 0.00 C ATOM 288 O ASN A 19 11.966 3.685 -13.969 1.00 0.00 O ATOM 289 CB ASN A 19 14.064 2.457 -12.681 1.00 0.00 C ATOM 290 CG ASN A 19 15.162 1.901 -11.795 1.00 0.00 C ATOM 291 OD1 ASN A 19 15.477 0.712 -11.849 1.00 0.00 O ATOM 292 ND2 ASN A 19 15.751 2.760 -10.972 1.00 0.00 N ATOM 0 H ASN A 19 11.900 1.802 -10.261 1.00 0.00 H new ATOM 0 HA ASN A 19 13.032 3.536 -11.167 1.00 0.00 H new ATOM 0 HB2 ASN A 19 13.839 1.739 -13.470 1.00 0.00 H new ATOM 0 HB3 ASN A 19 14.419 3.365 -13.168 1.00 0.00 H new ATOM 0 HD21 ASN A 19 16.496 2.443 -10.352 1.00 0.00 H new ATOM 0 HD22 ASN A 19 15.459 3.737 -10.960 1.00 0.00 H new ATOM 299 N TYR A 20 10.460 3.253 -12.344 1.00 0.00 N ATOM 300 CA TYR A 20 9.303 3.696 -13.121 1.00 0.00 C ATOM 301 C TYR A 20 9.033 5.172 -12.891 1.00 0.00 C ATOM 302 O TYR A 20 8.886 5.613 -11.751 1.00 0.00 O ATOM 303 CB TYR A 20 8.065 2.874 -12.763 1.00 0.00 C ATOM 304 CG TYR A 20 6.933 3.031 -13.753 1.00 0.00 C ATOM 305 CD1 TYR A 20 6.946 2.348 -14.963 1.00 0.00 C ATOM 306 CD2 TYR A 20 5.856 3.862 -13.480 1.00 0.00 C ATOM 307 CE1 TYR A 20 5.916 2.491 -15.873 1.00 0.00 C ATOM 308 CE2 TYR A 20 4.821 4.009 -14.385 1.00 0.00 C ATOM 309 CZ TYR A 20 4.856 3.322 -15.579 1.00 0.00 C ATOM 310 OH TYR A 20 3.828 3.466 -16.483 1.00 0.00 O ATOM 0 H TYR A 20 10.232 2.923 -11.406 1.00 0.00 H new ATOM 0 HA TYR A 20 9.529 3.545 -14.176 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.342 1.821 -12.703 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.716 3.169 -11.773 1.00 0.00 H new ATOM 0 HD1 TYR A 20 7.774 1.695 -15.196 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.826 4.403 -12.546 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.941 1.954 -16.810 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.989 4.659 -14.157 1.00 0.00 H new ATOM 0 HH TYR A 20 4.108 3.118 -17.355 1.00 0.00 H new ATOM 320 N ARG A 21 8.997 5.940 -13.976 1.00 0.00 N ATOM 321 CA ARG A 21 8.781 7.375 -13.877 1.00 0.00 C ATOM 322 C ARG A 21 9.900 7.976 -13.043 1.00 0.00 C ATOM 323 O ARG A 21 9.814 9.102 -12.554 1.00 0.00 O ATOM 324 CB ARG A 21 7.418 7.682 -13.258 1.00 0.00 C ATOM 325 CG ARG A 21 6.420 8.267 -14.245 1.00 0.00 C ATOM 326 CD ARG A 21 6.130 7.306 -15.387 1.00 0.00 C ATOM 327 NE ARG A 21 6.099 7.985 -16.679 1.00 0.00 N ATOM 328 CZ ARG A 21 7.049 7.861 -17.602 1.00 0.00 C ATOM 329 NH1 ARG A 21 8.099 7.082 -17.378 1.00 0.00 N ATOM 330 NH2 ARG A 21 6.948 8.516 -18.751 1.00 0.00 N ATOM 0 H ARG A 21 9.114 5.593 -14.928 1.00 0.00 H new ATOM 0 HA ARG A 21 8.789 7.814 -14.875 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.005 6.766 -12.836 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.552 8.381 -12.432 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.492 8.506 -13.726 1.00 0.00 H new ATOM 0 HG3 ARG A 21 6.810 9.202 -14.646 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.891 6.525 -15.406 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.173 6.814 -15.213 1.00 0.00 H new ATOM 0 HE ARG A 21 5.304 8.589 -16.886 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.180 6.576 -16.496 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.826 6.989 -18.088 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.142 9.115 -18.927 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.677 8.421 -19.458 1.00 0.00 H new ATOM 344 N GLY A 22 10.962 7.188 -12.912 1.00 0.00 N ATOM 345 CA GLY A 22 12.125 7.607 -12.165 1.00 0.00 C ATOM 346 C GLY A 22 12.178 7.061 -10.748 1.00 0.00 C ATOM 347 O GLY A 22 13.076 7.428 -9.990 1.00 0.00 O ATOM 0 H GLY A 22 11.034 6.255 -13.317 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.021 7.291 -12.699 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.146 8.696 -12.125 1.00 0.00 H new ATOM 351 N TYR A 23 11.238 6.190 -10.363 1.00 0.00 N ATOM 352 CA TYR A 23 11.267 5.652 -9.011 1.00 0.00 C ATOM 353 C TYR A 23 11.629 4.176 -8.984 1.00 0.00 C ATOM 354 O TYR A 23 11.033 3.360 -9.680 1.00 0.00 O ATOM 355 CB TYR A 23 9.946 5.913 -8.295 1.00 0.00 C ATOM 356 CG TYR A 23 9.947 7.226 -7.544 1.00 0.00 C ATOM 357 CD1 TYR A 23 10.827 7.439 -6.489 1.00 0.00 C ATOM 358 CD2 TYR A 23 9.082 8.254 -7.893 1.00 0.00 C ATOM 359 CE1 TYR A 23 10.842 8.638 -5.803 1.00 0.00 C ATOM 360 CE2 TYR A 23 9.091 9.456 -7.211 1.00 0.00 C ATOM 361 CZ TYR A 23 9.973 9.643 -6.167 1.00 0.00 C ATOM 362 OH TYR A 23 9.985 10.839 -5.488 1.00 0.00 O ATOM 0 H TYR A 23 10.474 5.855 -10.951 1.00 0.00 H new ATOM 0 HA TYR A 23 12.057 6.176 -8.473 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.135 5.915 -9.023 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.747 5.099 -7.598 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.510 6.654 -6.201 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.391 8.112 -8.711 1.00 0.00 H new ATOM 0 HE1 TYR A 23 11.532 8.787 -4.985 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.411 10.245 -7.494 1.00 0.00 H new ATOM 0 HH TYR A 23 9.162 10.925 -4.962 1.00 0.00 H new ATOM 372 N SER A 24 12.630 3.851 -8.167 1.00 0.00 N ATOM 373 CA SER A 24 13.105 2.485 -8.029 1.00 0.00 C ATOM 374 C SER A 24 12.129 1.646 -7.218 1.00 0.00 C ATOM 375 O SER A 24 11.306 2.174 -6.470 1.00 0.00 O ATOM 376 CB SER A 24 14.484 2.466 -7.367 1.00 0.00 C ATOM 377 OG SER A 24 14.405 2.868 -6.010 1.00 0.00 O ATOM 0 H SER A 24 13.129 4.526 -7.588 1.00 0.00 H new ATOM 0 HA SER A 24 13.182 2.054 -9.027 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.906 1.463 -7.428 1.00 0.00 H new ATOM 0 HB3 SER A 24 15.159 3.130 -7.907 1.00 0.00 H new ATOM 0 HG SER A 24 15.299 2.846 -5.610 1.00 0.00 H new ATOM 383 N LEU A 25 12.235 0.336 -7.386 1.00 0.00 N ATOM 384 CA LEU A 25 11.376 -0.620 -6.697 1.00 0.00 C ATOM 385 C LEU A 25 11.178 -0.270 -5.222 1.00 0.00 C ATOM 386 O LEU A 25 10.046 -0.149 -4.755 1.00 0.00 O ATOM 387 CB LEU A 25 11.969 -2.022 -6.822 1.00 0.00 C ATOM 388 CG LEU A 25 11.295 -2.915 -7.863 1.00 0.00 C ATOM 389 CD1 LEU A 25 12.035 -4.237 -7.991 1.00 0.00 C ATOM 390 CD2 LEU A 25 9.840 -3.148 -7.496 1.00 0.00 C ATOM 0 H LEU A 25 12.920 -0.097 -8.005 1.00 0.00 H new ATOM 0 HA LEU A 25 10.396 -0.581 -7.172 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.026 -1.933 -7.071 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.911 -2.513 -5.851 1.00 0.00 H new ATOM 0 HG LEU A 25 11.330 -2.410 -8.828 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.541 -4.860 -8.737 1.00 0.00 H new ATOM 0 HD12 LEU A 25 13.064 -4.050 -8.299 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.032 -4.750 -7.030 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.373 -3.786 -8.247 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.784 -3.633 -6.522 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.317 -2.192 -7.456 1.00 0.00 H new ATOM 402 N GLY A 26 12.282 -0.137 -4.491 1.00 0.00 N ATOM 403 CA GLY A 26 12.212 0.170 -3.069 1.00 0.00 C ATOM 404 C GLY A 26 11.208 1.258 -2.723 1.00 0.00 C ATOM 405 O GLY A 26 10.524 1.173 -1.703 1.00 0.00 O ATOM 0 H GLY A 26 13.228 -0.237 -4.858 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.952 -0.737 -2.524 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.199 0.477 -2.724 1.00 0.00 H new ATOM 409 N ASN A 27 11.125 2.285 -3.562 1.00 0.00 N ATOM 410 CA ASN A 27 10.203 3.395 -3.322 1.00 0.00 C ATOM 411 C ASN A 27 8.748 2.951 -3.453 1.00 0.00 C ATOM 412 O ASN A 27 7.866 3.460 -2.759 1.00 0.00 O ATOM 413 CB ASN A 27 10.491 4.535 -4.298 1.00 0.00 C ATOM 414 CG ASN A 27 11.933 4.996 -4.241 1.00 0.00 C ATOM 415 OD1 ASN A 27 12.436 5.372 -3.181 1.00 0.00 O ATOM 416 ND2 ASN A 27 12.609 4.969 -5.383 1.00 0.00 N ATOM 0 H ASN A 27 11.682 2.374 -4.412 1.00 0.00 H new ATOM 0 HA ASN A 27 10.357 3.744 -2.301 1.00 0.00 H new ATOM 0 HB2 ASN A 27 10.257 4.209 -5.311 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.835 5.376 -4.074 1.00 0.00 H new ATOM 0 HD21 ASN A 27 13.584 5.267 -5.406 1.00 0.00 H new ATOM 0 HD22 ASN A 27 12.153 4.650 -6.238 1.00 0.00 H new ATOM 423 N TRP A 28 8.506 1.999 -4.346 1.00 0.00 N ATOM 424 CA TRP A 28 7.163 1.479 -4.576 1.00 0.00 C ATOM 425 C TRP A 28 6.750 0.504 -3.488 1.00 0.00 C ATOM 426 O TRP A 28 5.575 0.429 -3.128 1.00 0.00 O ATOM 427 CB TRP A 28 7.090 0.813 -5.943 1.00 0.00 C ATOM 428 CG TRP A 28 7.453 1.751 -7.041 1.00 0.00 C ATOM 429 CD1 TRP A 28 8.685 1.928 -7.580 1.00 0.00 C ATOM 430 CD2 TRP A 28 6.580 2.656 -7.718 1.00 0.00 C ATOM 431 NE1 TRP A 28 8.641 2.896 -8.547 1.00 0.00 N ATOM 432 CE2 TRP A 28 7.360 3.361 -8.654 1.00 0.00 C ATOM 433 CE3 TRP A 28 5.217 2.938 -7.619 1.00 0.00 C ATOM 434 CZ2 TRP A 28 6.826 4.335 -9.491 1.00 0.00 C ATOM 435 CZ3 TRP A 28 4.673 3.900 -8.446 1.00 0.00 C ATOM 436 CH2 TRP A 28 5.477 4.595 -9.376 1.00 0.00 C ATOM 0 H TRP A 28 9.227 1.569 -4.926 1.00 0.00 H new ATOM 0 HA TRP A 28 6.467 2.317 -4.549 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.760 -0.046 -5.964 1.00 0.00 H new ATOM 0 HB3 TRP A 28 6.081 0.434 -6.108 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.572 1.384 -7.289 1.00 0.00 H new ATOM 0 HE1 TRP A 28 9.436 3.218 -9.099 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.598 2.412 -6.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 7.442 4.866 -10.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.619 4.124 -8.381 1.00 0.00 H new ATOM 0 HH2 TRP A 28 5.026 5.345 -10.009 1.00 0.00 H new ATOM 447 N VAL A 29 7.711 -0.246 -2.958 1.00 0.00 N ATOM 448 CA VAL A 29 7.425 -1.208 -1.908 1.00 0.00 C ATOM 449 C VAL A 29 7.092 -0.503 -0.602 1.00 0.00 C ATOM 450 O VAL A 29 6.088 -0.808 0.037 1.00 0.00 O ATOM 451 CB VAL A 29 8.617 -2.158 -1.684 1.00 0.00 C ATOM 452 CG1 VAL A 29 8.336 -3.125 -0.543 1.00 0.00 C ATOM 453 CG2 VAL A 29 8.946 -2.909 -2.965 1.00 0.00 C ATOM 0 H VAL A 29 8.690 -0.204 -3.240 1.00 0.00 H new ATOM 0 HA VAL A 29 6.563 -1.792 -2.230 1.00 0.00 H new ATOM 0 HB VAL A 29 9.484 -1.559 -1.406 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.193 -3.784 -0.406 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.159 -2.564 0.374 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.454 -3.720 -0.780 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.790 -3.576 -2.789 1.00 0.00 H new ATOM 0 HG22 VAL A 29 8.081 -3.494 -3.276 1.00 0.00 H new ATOM 0 HG23 VAL A 29 9.203 -2.196 -3.749 1.00 0.00 H new ATOM 463 N CYS A 30 7.942 0.437 -0.210 1.00 0.00 N ATOM 464 CA CYS A 30 7.732 1.181 1.021 1.00 0.00 C ATOM 465 C CYS A 30 6.414 1.946 0.978 1.00 0.00 C ATOM 466 O CYS A 30 5.647 1.929 1.941 1.00 0.00 O ATOM 467 CB CYS A 30 8.890 2.147 1.264 1.00 0.00 C ATOM 468 SG CYS A 30 8.958 2.806 2.960 1.00 0.00 S ATOM 0 H CYS A 30 8.781 0.701 -0.727 1.00 0.00 H new ATOM 0 HA CYS A 30 7.688 0.466 1.843 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.828 1.637 1.045 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.809 2.979 0.564 1.00 0.00 H new ATOM 473 N ALA A 31 6.153 2.618 -0.142 1.00 0.00 N ATOM 474 CA ALA A 31 4.926 3.389 -0.298 1.00 0.00 C ATOM 475 C ALA A 31 3.695 2.499 -0.197 1.00 0.00 C ATOM 476 O ALA A 31 2.735 2.832 0.494 1.00 0.00 O ATOM 477 CB ALA A 31 4.933 4.123 -1.630 1.00 0.00 C ATOM 0 H ALA A 31 6.774 2.643 -0.951 1.00 0.00 H new ATOM 0 HA ALA A 31 4.882 4.117 0.512 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.011 4.695 -1.735 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.787 4.800 -1.668 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.006 3.401 -2.443 1.00 0.00 H new ATOM 483 N ALA A 32 3.730 1.367 -0.892 1.00 0.00 N ATOM 484 CA ALA A 32 2.614 0.429 -0.886 1.00 0.00 C ATOM 485 C ALA A 32 2.435 -0.215 0.484 1.00 0.00 C ATOM 486 O ALA A 32 1.315 -0.340 0.978 1.00 0.00 O ATOM 487 CB ALA A 32 2.818 -0.637 -1.951 1.00 0.00 C ATOM 0 H ALA A 32 4.521 1.077 -1.467 1.00 0.00 H new ATOM 0 HA ALA A 32 1.705 0.987 -1.112 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.978 -1.331 -1.936 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.881 -0.165 -2.931 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.741 -1.180 -1.750 1.00 0.00 H new ATOM 493 N LYS A 33 3.543 -0.636 1.087 1.00 0.00 N ATOM 494 CA LYS A 33 3.515 -1.282 2.394 1.00 0.00 C ATOM 495 C LYS A 33 2.723 -0.469 3.410 1.00 0.00 C ATOM 496 O LYS A 33 1.802 -0.977 4.040 1.00 0.00 O ATOM 497 CB LYS A 33 4.941 -1.496 2.907 1.00 0.00 C ATOM 498 CG LYS A 33 5.015 -2.346 4.164 1.00 0.00 C ATOM 499 CD LYS A 33 5.418 -1.518 5.374 1.00 0.00 C ATOM 500 CE LYS A 33 4.383 -1.612 6.482 1.00 0.00 C ATOM 501 NZ LYS A 33 4.392 -2.948 7.141 1.00 0.00 N ATOM 0 H LYS A 33 4.477 -0.540 0.688 1.00 0.00 H new ATOM 0 HA LYS A 33 3.019 -2.245 2.272 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.533 -1.969 2.123 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.395 -0.526 3.108 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.047 -2.812 4.347 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.734 -3.152 4.018 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.383 -1.861 5.746 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.543 -0.476 5.078 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.577 -0.839 7.226 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.393 -1.417 6.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.449 -3.380 7.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.093 -3.560 6.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.640 -2.838 8.145 1.00 0.00 H new ATOM 515 N PHE A 34 3.099 0.787 3.589 1.00 0.00 N ATOM 516 CA PHE A 34 2.420 1.636 4.557 1.00 0.00 C ATOM 517 C PHE A 34 1.076 2.131 4.048 1.00 0.00 C ATOM 518 O PHE A 34 0.187 2.444 4.840 1.00 0.00 O ATOM 519 CB PHE A 34 3.302 2.802 4.953 1.00 0.00 C ATOM 520 CG PHE A 34 4.161 2.525 6.154 1.00 0.00 C ATOM 521 CD1 PHE A 34 3.624 2.563 7.431 1.00 0.00 C ATOM 522 CD2 PHE A 34 5.506 2.228 6.006 1.00 0.00 C ATOM 523 CE1 PHE A 34 4.411 2.308 8.536 1.00 0.00 C ATOM 524 CE2 PHE A 34 6.300 1.972 7.109 1.00 0.00 C ATOM 525 CZ PHE A 34 5.751 2.012 8.376 1.00 0.00 C ATOM 0 H PHE A 34 3.862 1.238 3.084 1.00 0.00 H new ATOM 0 HA PHE A 34 2.224 1.025 5.438 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.943 3.065 4.111 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.674 3.669 5.158 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.577 2.795 7.563 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.940 2.196 5.017 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.979 2.340 9.525 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.347 1.741 6.980 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.368 1.812 9.240 1.00 0.00 H new ATOM 535 N GLU A 35 0.926 2.207 2.736 1.00 0.00 N ATOM 536 CA GLU A 35 -0.316 2.672 2.141 1.00 0.00 C ATOM 537 C GLU A 35 -1.469 1.719 2.426 1.00 0.00 C ATOM 538 O GLU A 35 -2.527 2.131 2.905 1.00 0.00 O ATOM 539 CB GLU A 35 -0.141 2.810 0.628 1.00 0.00 C ATOM 540 CG GLU A 35 -0.040 4.248 0.150 1.00 0.00 C ATOM 541 CD GLU A 35 0.606 4.360 -1.216 1.00 0.00 C ATOM 542 OE1 GLU A 35 -0.085 4.096 -2.222 1.00 0.00 O ATOM 543 OE2 GLU A 35 1.803 4.712 -1.280 1.00 0.00 O ATOM 0 H GLU A 35 1.649 1.953 2.063 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.555 3.638 2.585 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.758 2.273 0.325 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.983 2.330 0.129 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.037 4.687 0.114 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.537 4.827 0.870 1.00 0.00 H new ATOM 550 N SER A 36 -1.277 0.453 2.076 1.00 0.00 N ATOM 551 CA SER A 36 -2.327 -0.549 2.239 1.00 0.00 C ATOM 552 C SER A 36 -1.818 -1.839 2.875 1.00 0.00 C ATOM 553 O SER A 36 -2.570 -2.804 3.004 1.00 0.00 O ATOM 554 CB SER A 36 -2.926 -0.871 0.868 1.00 0.00 C ATOM 555 OG SER A 36 -1.914 -1.245 -0.049 1.00 0.00 O ATOM 0 H SER A 36 -0.408 0.095 1.679 1.00 0.00 H new ATOM 0 HA SER A 36 -3.077 -0.129 2.909 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.652 -1.678 0.964 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.464 -0.002 0.488 1.00 0.00 H new ATOM 0 HG SER A 36 -1.663 -0.470 -0.593 1.00 0.00 H new ATOM 561 N ASN A 37 -0.545 -1.867 3.249 1.00 0.00 N ATOM 562 CA ASN A 37 0.037 -3.067 3.841 1.00 0.00 C ATOM 563 C ASN A 37 -0.045 -4.215 2.846 1.00 0.00 C ATOM 564 O ASN A 37 -0.079 -5.379 3.227 1.00 0.00 O ATOM 565 CB ASN A 37 -0.683 -3.436 5.141 1.00 0.00 C ATOM 566 CG ASN A 37 0.168 -3.176 6.368 1.00 0.00 C ATOM 567 OD1 ASN A 37 1.248 -3.748 6.521 1.00 0.00 O ATOM 568 ND2 ASN A 37 -0.314 -2.310 7.251 1.00 0.00 N ATOM 0 H ASN A 37 0.099 -1.082 3.155 1.00 0.00 H new ATOM 0 HA ASN A 37 1.082 -2.871 4.080 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.608 -2.864 5.216 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.962 -4.489 5.112 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.215 -2.096 8.096 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.213 -1.859 7.084 1.00 0.00 H new ATOM 575 N PHE A 38 -0.068 -3.847 1.567 1.00 0.00 N ATOM 576 CA PHE A 38 -0.140 -4.779 0.453 1.00 0.00 C ATOM 577 C PHE A 38 -1.496 -5.463 0.394 1.00 0.00 C ATOM 578 O PHE A 38 -1.634 -6.528 -0.195 1.00 0.00 O ATOM 579 CB PHE A 38 0.997 -5.803 0.517 1.00 0.00 C ATOM 580 CG PHE A 38 2.355 -5.161 0.533 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.773 -4.381 -0.533 1.00 0.00 C ATOM 582 CD2 PHE A 38 3.206 -5.326 1.613 1.00 0.00 C ATOM 583 CE1 PHE A 38 4.015 -3.777 -0.524 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.451 -4.726 1.626 1.00 0.00 C ATOM 585 CZ PHE A 38 4.856 -3.950 0.557 1.00 0.00 C ATOM 0 H PHE A 38 -0.036 -2.871 1.274 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.020 -4.207 -0.467 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.879 -6.416 1.411 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.926 -6.473 -0.340 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.119 -4.244 -1.382 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.894 -5.929 2.453 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.328 -3.170 -1.361 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.108 -4.864 2.472 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.828 -3.480 0.567 1.00 0.00 H new ATOM 595 N ASN A 39 -2.507 -4.828 0.974 1.00 0.00 N ATOM 596 CA ASN A 39 -3.854 -5.381 0.952 1.00 0.00 C ATOM 597 C ASN A 39 -4.518 -5.052 -0.374 1.00 0.00 C ATOM 598 O ASN A 39 -4.758 -3.888 -0.694 1.00 0.00 O ATOM 599 CB ASN A 39 -4.678 -4.843 2.120 1.00 0.00 C ATOM 600 CG ASN A 39 -6.067 -5.450 2.180 1.00 0.00 C ATOM 601 OD1 ASN A 39 -6.353 -6.442 1.509 1.00 0.00 O ATOM 602 ND2 ASN A 39 -6.938 -4.855 2.987 1.00 0.00 N ATOM 0 H ASN A 39 -2.421 -3.936 1.462 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.795 -6.464 1.058 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.155 -5.048 3.054 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.762 -3.760 2.033 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.888 -5.218 3.069 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.657 -4.035 3.525 1.00 0.00 H new ATOM 609 N THR A 40 -4.772 -6.087 -1.158 1.00 0.00 N ATOM 610 CA THR A 40 -5.362 -5.929 -2.473 1.00 0.00 C ATOM 611 C THR A 40 -6.753 -5.348 -2.356 1.00 0.00 C ATOM 612 O THR A 40 -7.313 -4.831 -3.321 1.00 0.00 O ATOM 613 CB THR A 40 -5.441 -7.277 -3.216 1.00 0.00 C ATOM 614 OG1 THR A 40 -6.705 -7.903 -2.966 1.00 0.00 O ATOM 615 CG2 THR A 40 -4.327 -8.212 -2.777 1.00 0.00 C ATOM 0 H THR A 40 -4.576 -7.054 -0.901 1.00 0.00 H new ATOM 0 HA THR A 40 -4.724 -5.252 -3.041 1.00 0.00 H new ATOM 0 HB THR A 40 -5.331 -7.077 -4.282 1.00 0.00 H new ATOM 0 HG1 THR A 40 -7.367 -7.570 -3.607 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.409 -9.155 -3.318 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.362 -7.753 -2.991 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.410 -8.400 -1.707 1.00 0.00 H new ATOM 623 N GLN A 41 -7.313 -5.471 -1.167 1.00 0.00 N ATOM 624 CA GLN A 41 -8.652 -5.001 -0.894 1.00 0.00 C ATOM 625 C GLN A 41 -8.671 -3.806 0.062 1.00 0.00 C ATOM 626 O GLN A 41 -9.740 -3.343 0.458 1.00 0.00 O ATOM 627 CB GLN A 41 -9.439 -6.160 -0.301 1.00 0.00 C ATOM 628 CG GLN A 41 -10.207 -6.974 -1.329 1.00 0.00 C ATOM 629 CD GLN A 41 -11.372 -7.730 -0.722 1.00 0.00 C ATOM 630 OE1 GLN A 41 -12.183 -7.161 0.009 1.00 0.00 O ATOM 631 NE2 GLN A 41 -11.461 -9.020 -1.021 1.00 0.00 N ATOM 0 H GLN A 41 -6.850 -5.900 -0.366 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.100 -4.655 -1.826 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.752 -6.819 0.230 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.140 -5.770 0.437 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.577 -6.310 -2.110 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.529 -7.681 -1.807 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.767 -9.451 -1.631 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.224 -9.580 -0.641 1.00 0.00 H new ATOM 640 N ALA A 42 -7.494 -3.324 0.448 1.00 0.00 N ATOM 641 CA ALA A 42 -7.394 -2.200 1.378 1.00 0.00 C ATOM 642 C ALA A 42 -8.056 -0.933 0.850 1.00 0.00 C ATOM 643 O ALA A 42 -7.718 -0.435 -0.228 1.00 0.00 O ATOM 644 CB ALA A 42 -5.942 -1.912 1.706 1.00 0.00 C ATOM 0 H ALA A 42 -6.596 -3.692 0.133 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.929 -2.497 2.280 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.885 -1.073 2.399 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.491 -2.792 2.164 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.405 -1.664 0.791 1.00 0.00 H new ATOM 650 N THR A 43 -8.986 -0.406 1.640 1.00 0.00 N ATOM 651 CA THR A 43 -9.697 0.819 1.305 1.00 0.00 C ATOM 652 C THR A 43 -9.506 1.843 2.421 1.00 0.00 C ATOM 653 O THR A 43 -9.662 1.513 3.598 1.00 0.00 O ATOM 654 CB THR A 43 -11.204 0.562 1.114 1.00 0.00 C ATOM 655 OG1 THR A 43 -11.879 0.644 2.376 1.00 0.00 O ATOM 656 CG2 THR A 43 -11.449 -0.806 0.494 1.00 0.00 C ATOM 0 H THR A 43 -9.267 -0.818 2.530 1.00 0.00 H new ATOM 0 HA THR A 43 -9.289 1.197 0.368 1.00 0.00 H new ATOM 0 HB THR A 43 -11.595 1.324 0.440 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.220 0.627 3.101 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.521 -0.963 0.370 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.960 -0.858 -0.479 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.043 -1.579 1.146 1.00 0.00 H new ATOM 664 N ASN A 44 -9.161 3.077 2.065 1.00 0.00 N ATOM 665 CA ASN A 44 -8.948 4.119 3.067 1.00 0.00 C ATOM 666 C ASN A 44 -9.821 5.338 2.790 1.00 0.00 C ATOM 667 O ASN A 44 -9.522 6.142 1.907 1.00 0.00 O ATOM 668 CB ASN A 44 -7.475 4.532 3.098 1.00 0.00 C ATOM 669 CG ASN A 44 -6.556 3.371 3.423 1.00 0.00 C ATOM 670 OD1 ASN A 44 -6.264 2.535 2.567 1.00 0.00 O ATOM 671 ND2 ASN A 44 -6.095 3.311 4.667 1.00 0.00 N ATOM 0 H ASN A 44 -9.024 3.379 1.100 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.228 3.711 4.038 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -7.198 4.952 2.131 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.337 5.320 3.839 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -5.474 2.551 4.945 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -6.362 4.025 5.345 1.00 0.00 H new ATOM 678 N ARG A 45 -10.905 5.467 3.551 1.00 0.00 N ATOM 679 CA ARG A 45 -11.826 6.585 3.389 1.00 0.00 C ATOM 680 C ARG A 45 -11.273 7.854 4.030 1.00 0.00 C ATOM 681 O ARG A 45 -10.961 7.876 5.220 1.00 0.00 O ATOM 682 CB ARG A 45 -13.187 6.244 3.999 1.00 0.00 C ATOM 683 CG ARG A 45 -14.329 7.086 3.452 1.00 0.00 C ATOM 684 CD ARG A 45 -15.365 6.226 2.747 1.00 0.00 C ATOM 685 NE ARG A 45 -16.020 5.296 3.663 1.00 0.00 N ATOM 686 CZ ARG A 45 -17.199 4.731 3.422 1.00 0.00 C ATOM 687 NH1 ARG A 45 -17.853 5.002 2.300 1.00 0.00 N ATOM 688 NH2 ARG A 45 -17.728 3.895 4.307 1.00 0.00 N ATOM 0 H ARG A 45 -11.166 4.810 4.286 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.946 6.767 2.321 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -13.404 5.191 3.817 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -13.135 6.376 5.080 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -14.802 7.633 4.267 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -13.936 7.827 2.757 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -16.115 6.868 2.285 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -14.886 5.666 1.944 1.00 0.00 H new ATOM 0 HE ARG A 45 -15.546 5.067 4.537 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -17.451 5.646 1.618 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -18.757 4.566 2.119 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -17.230 3.686 5.172 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -18.633 3.462 4.122 1.00 0.00 H new ATOM 702 N ASN A 46 -11.159 8.909 3.229 1.00 0.00 N ATOM 703 CA ASN A 46 -10.649 10.188 3.710 1.00 0.00 C ATOM 704 C ASN A 46 -11.776 11.050 4.262 1.00 0.00 C ATOM 705 O ASN A 46 -12.942 10.654 4.246 1.00 0.00 O ATOM 706 CB ASN A 46 -9.928 10.931 2.584 1.00 0.00 C ATOM 707 CG ASN A 46 -9.056 10.014 1.749 1.00 0.00 C ATOM 708 OD1 ASN A 46 -9.038 10.104 0.521 1.00 0.00 O ATOM 709 ND2 ASN A 46 -8.326 9.126 2.413 1.00 0.00 N ATOM 0 H ASN A 46 -11.414 8.903 2.241 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.941 9.988 4.515 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.665 11.412 1.940 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.313 11.723 3.011 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.719 8.483 1.905 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -8.372 9.087 3.431 1.00 0.00 H new ATOM 716 N THR A 47 -11.418 12.229 4.752 1.00 0.00 N ATOM 717 CA THR A 47 -12.393 13.153 5.317 1.00 0.00 C ATOM 718 C THR A 47 -12.808 14.216 4.303 1.00 0.00 C ATOM 719 O THR A 47 -13.473 15.191 4.653 1.00 0.00 O ATOM 720 CB THR A 47 -11.842 13.850 6.575 1.00 0.00 C ATOM 721 OG1 THR A 47 -10.619 14.526 6.264 1.00 0.00 O ATOM 722 CG2 THR A 47 -11.602 12.843 7.689 1.00 0.00 C ATOM 0 H THR A 47 -10.457 12.569 4.770 1.00 0.00 H new ATOM 0 HA THR A 47 -13.265 12.558 5.589 1.00 0.00 H new ATOM 0 HB THR A 47 -12.581 14.575 6.915 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.276 14.968 7.068 1.00 0.00 H new ATOM 0 HG21 THR A 47 -11.213 13.358 8.567 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.541 12.351 7.943 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.880 12.097 7.356 1.00 0.00 H new ATOM 730 N ASP A 48 -12.414 14.023 3.047 1.00 0.00 N ATOM 731 CA ASP A 48 -12.753 14.973 1.991 1.00 0.00 C ATOM 732 C ASP A 48 -13.648 14.327 0.937 1.00 0.00 C ATOM 733 O ASP A 48 -14.039 14.969 -0.038 1.00 0.00 O ATOM 734 CB ASP A 48 -11.484 15.526 1.341 1.00 0.00 C ATOM 735 CG ASP A 48 -10.787 14.507 0.465 1.00 0.00 C ATOM 736 OD1 ASP A 48 -10.142 13.591 1.018 1.00 0.00 O ATOM 737 OD2 ASP A 48 -10.883 14.624 -0.775 1.00 0.00 O ATOM 0 H ASP A 48 -11.863 13.223 2.737 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.303 15.797 2.445 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.738 16.401 0.742 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.798 15.861 2.119 1.00 0.00 H new ATOM 742 N GLY A 49 -13.981 13.055 1.147 1.00 0.00 N ATOM 743 CA GLY A 49 -14.841 12.349 0.213 1.00 0.00 C ATOM 744 C GLY A 49 -14.108 11.303 -0.606 1.00 0.00 C ATOM 745 O GLY A 49 -14.710 10.324 -1.047 1.00 0.00 O ATOM 0 H GLY A 49 -13.671 12.502 1.946 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -15.648 11.868 0.766 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -15.303 13.070 -0.461 1.00 0.00 H new ATOM 749 N SER A 50 -12.811 11.504 -0.814 1.00 0.00 N ATOM 750 CA SER A 50 -12.014 10.560 -1.591 1.00 0.00 C ATOM 751 C SER A 50 -11.648 9.337 -0.758 1.00 0.00 C ATOM 752 O SER A 50 -11.754 9.352 0.467 1.00 0.00 O ATOM 753 CB SER A 50 -10.745 11.227 -2.122 1.00 0.00 C ATOM 754 OG SER A 50 -10.222 12.150 -1.185 1.00 0.00 O ATOM 0 H SER A 50 -12.291 12.306 -0.458 1.00 0.00 H new ATOM 0 HA SER A 50 -12.620 10.235 -2.437 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.997 10.466 -2.344 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.965 11.740 -3.058 1.00 0.00 H new ATOM 0 HG SER A 50 -10.391 13.064 -1.497 1.00 0.00 H new ATOM 760 N THR A 51 -11.223 8.278 -1.438 1.00 0.00 N ATOM 761 CA THR A 51 -10.845 7.039 -0.769 1.00 0.00 C ATOM 762 C THR A 51 -9.615 6.414 -1.420 1.00 0.00 C ATOM 763 O THR A 51 -9.176 6.851 -2.481 1.00 0.00 O ATOM 764 CB THR A 51 -11.999 6.022 -0.799 1.00 0.00 C ATOM 765 OG1 THR A 51 -13.257 6.706 -0.755 1.00 0.00 O ATOM 766 CG2 THR A 51 -11.905 5.053 0.369 1.00 0.00 C ATOM 0 H THR A 51 -11.132 8.253 -2.454 1.00 0.00 H new ATOM 0 HA THR A 51 -10.613 7.292 0.266 1.00 0.00 H new ATOM 0 HB THR A 51 -11.924 5.454 -1.726 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.984 6.061 -0.879 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.733 4.346 0.323 1.00 0.00 H new ATOM 0 HG22 THR A 51 -10.961 4.510 0.317 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.953 5.607 1.306 1.00 0.00 H new ATOM 774 N ASP A 52 -9.061 5.393 -0.775 1.00 0.00 N ATOM 775 CA ASP A 52 -7.881 4.705 -1.289 1.00 0.00 C ATOM 776 C ASP A 52 -8.170 3.229 -1.496 1.00 0.00 C ATOM 777 O ASP A 52 -7.863 2.396 -0.642 1.00 0.00 O ATOM 778 CB ASP A 52 -6.704 4.882 -0.330 1.00 0.00 C ATOM 779 CG ASP A 52 -6.318 6.337 -0.153 1.00 0.00 C ATOM 780 OD1 ASP A 52 -5.975 6.988 -1.163 1.00 0.00 O ATOM 781 OD2 ASP A 52 -6.356 6.827 0.995 1.00 0.00 O ATOM 0 H ASP A 52 -9.411 5.022 0.108 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.620 5.144 -2.252 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.962 4.457 0.640 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.846 4.324 -0.705 1.00 0.00 H new ATOM 786 N TYR A 53 -8.759 2.913 -2.641 1.00 0.00 N ATOM 787 CA TYR A 53 -9.088 1.538 -2.967 1.00 0.00 C ATOM 788 C TYR A 53 -7.996 0.899 -3.814 1.00 0.00 C ATOM 789 O TYR A 53 -8.100 0.864 -5.038 1.00 0.00 O ATOM 790 CB TYR A 53 -10.411 1.453 -3.736 1.00 0.00 C ATOM 791 CG TYR A 53 -11.593 2.107 -3.055 1.00 0.00 C ATOM 792 CD1 TYR A 53 -12.142 1.565 -1.902 1.00 0.00 C ATOM 793 CD2 TYR A 53 -12.173 3.253 -3.582 1.00 0.00 C ATOM 794 CE1 TYR A 53 -13.234 2.149 -1.288 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.267 3.842 -2.977 1.00 0.00 C ATOM 796 CZ TYR A 53 -13.793 3.286 -1.830 1.00 0.00 C ATOM 797 OH TYR A 53 -14.882 3.870 -1.225 1.00 0.00 O ATOM 0 H TYR A 53 -9.017 3.592 -3.357 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.180 1.002 -2.022 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.275 1.914 -4.714 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.646 0.403 -3.908 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -11.709 0.672 -1.477 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.762 3.691 -4.480 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -13.647 1.717 -0.389 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -13.707 4.733 -3.400 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.152 4.663 -1.733 1.00 0.00 H new ATOM 807 N GLY A 54 -6.932 0.419 -3.188 1.00 0.00 N ATOM 808 CA GLY A 54 -5.867 -0.198 -3.959 1.00 0.00 C ATOM 809 C GLY A 54 -4.597 -0.385 -3.160 1.00 0.00 C ATOM 810 O GLY A 54 -4.413 0.258 -2.125 1.00 0.00 O ATOM 0 H GLY A 54 -6.785 0.443 -2.179 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.205 -1.167 -4.327 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.654 0.418 -4.833 1.00 0.00 H new ATOM 814 N ILE A 55 -3.701 -1.240 -3.649 1.00 0.00 N ATOM 815 CA ILE A 55 -2.433 -1.457 -2.969 1.00 0.00 C ATOM 816 C ILE A 55 -1.624 -0.173 -3.052 1.00 0.00 C ATOM 817 O ILE A 55 -0.858 0.162 -2.147 1.00 0.00 O ATOM 818 CB ILE A 55 -1.630 -2.627 -3.583 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.418 -2.955 -2.709 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.190 -2.283 -4.995 1.00 0.00 C ATOM 821 CD1 ILE A 55 0.195 -4.307 -3.009 1.00 0.00 C ATOM 0 H ILE A 55 -3.829 -1.785 -4.501 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.636 -1.725 -1.932 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.273 -3.506 -3.627 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.339 -2.183 -2.847 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.717 -2.925 -1.661 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.626 -3.116 -5.414 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.067 -2.092 -5.613 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.561 -1.393 -4.973 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.049 -4.473 -2.352 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.547 -5.088 -2.843 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.525 -4.335 -4.047 1.00 0.00 H new ATOM 833 N LEU A 56 -1.850 0.568 -4.138 1.00 0.00 N ATOM 834 CA LEU A 56 -1.199 1.851 -4.346 1.00 0.00 C ATOM 835 C LEU A 56 -2.205 2.960 -4.048 1.00 0.00 C ATOM 836 O LEU A 56 -1.934 4.135 -4.280 1.00 0.00 O ATOM 837 CB LEU A 56 -0.654 1.989 -5.783 1.00 0.00 C ATOM 838 CG LEU A 56 0.871 2.200 -5.904 1.00 0.00 C ATOM 839 CD1 LEU A 56 1.386 3.080 -4.773 1.00 0.00 C ATOM 840 CD2 LEU A 56 1.587 0.858 -5.903 1.00 0.00 C ATOM 0 H LEU A 56 -2.484 0.294 -4.888 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.344 1.927 -3.674 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.924 1.093 -6.342 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.157 2.828 -6.264 1.00 0.00 H new ATOM 0 HG LEU A 56 1.076 2.706 -6.847 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.462 3.215 -4.878 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.893 4.051 -4.814 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.172 2.605 -3.816 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.662 1.019 -5.989 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.372 0.332 -4.973 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.241 0.260 -6.746 1.00 0.00 H new ATOM 852 N GLN A 57 -3.369 2.564 -3.511 1.00 0.00 N ATOM 853 CA GLN A 57 -4.435 3.500 -3.143 1.00 0.00 C ATOM 854 C GLN A 57 -5.090 4.158 -4.356 1.00 0.00 C ATOM 855 O GLN A 57 -4.796 5.313 -4.667 1.00 0.00 O ATOM 856 CB GLN A 57 -3.888 4.576 -2.202 1.00 0.00 C ATOM 857 CG GLN A 57 -3.351 4.024 -0.892 1.00 0.00 C ATOM 858 CD GLN A 57 -3.349 5.055 0.219 1.00 0.00 C ATOM 859 OE1 GLN A 57 -2.889 6.181 0.036 1.00 0.00 O ATOM 860 NE2 GLN A 57 -3.866 4.673 1.381 1.00 0.00 N ATOM 0 H GLN A 57 -3.595 1.588 -3.321 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.206 2.918 -2.637 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.092 5.121 -2.710 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.679 5.294 -1.987 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.955 3.169 -0.588 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.336 3.659 -1.045 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.237 3.729 1.489 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.892 5.324 2.166 1.00 0.00 H new ATOM 869 N ILE A 58 -5.978 3.433 -5.049 1.00 0.00 N ATOM 870 CA ILE A 58 -6.638 3.995 -6.210 1.00 0.00 C ATOM 871 C ILE A 58 -7.830 4.824 -5.784 1.00 0.00 C ATOM 872 O ILE A 58 -8.902 4.288 -5.498 1.00 0.00 O ATOM 873 CB ILE A 58 -7.102 2.905 -7.195 1.00 0.00 C ATOM 874 CG1 ILE A 58 -5.898 2.138 -7.742 1.00 0.00 C ATOM 875 CG2 ILE A 58 -7.901 3.523 -8.334 1.00 0.00 C ATOM 876 CD1 ILE A 58 -5.778 0.737 -7.191 1.00 0.00 C ATOM 0 H ILE A 58 -6.245 2.475 -4.823 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.909 4.625 -6.720 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.746 2.206 -6.662 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.972 2.088 -8.828 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.988 2.691 -7.509 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.221 2.739 -9.021 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.776 4.032 -7.930 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.278 4.241 -8.868 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.903 0.251 -7.621 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.673 0.780 -6.107 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.672 0.168 -7.447 1.00 0.00 H new ATOM 888 N ASN A 59 -7.648 6.136 -5.755 1.00 0.00 N ATOM 889 CA ASN A 59 -8.722 7.029 -5.381 1.00 0.00 C ATOM 890 C ASN A 59 -9.831 6.922 -6.411 1.00 0.00 C ATOM 891 O ASN A 59 -9.727 7.483 -7.500 1.00 0.00 O ATOM 892 CB ASN A 59 -8.212 8.469 -5.298 1.00 0.00 C ATOM 893 CG ASN A 59 -9.336 9.477 -5.159 1.00 0.00 C ATOM 894 OD1 ASN A 59 -10.365 9.196 -4.545 1.00 0.00 O ATOM 895 ND2 ASN A 59 -9.143 10.659 -5.732 1.00 0.00 N ATOM 0 H ASN A 59 -6.769 6.599 -5.986 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.105 6.748 -4.400 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.537 8.563 -4.447 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.632 8.698 -6.192 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.864 11.378 -5.673 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.274 10.848 -6.231 1.00 0.00 H new ATOM 902 N SER A 60 -10.887 6.193 -6.077 1.00 0.00 N ATOM 903 CA SER A 60 -12.007 6.009 -6.996 1.00 0.00 C ATOM 904 C SER A 60 -12.749 7.314 -7.283 1.00 0.00 C ATOM 905 O SER A 60 -13.464 7.414 -8.278 1.00 0.00 O ATOM 906 CB SER A 60 -12.988 4.987 -6.420 1.00 0.00 C ATOM 907 OG SER A 60 -13.911 5.604 -5.540 1.00 0.00 O ATOM 0 H SER A 60 -10.994 5.720 -5.180 1.00 0.00 H new ATOM 0 HA SER A 60 -11.592 5.650 -7.938 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.526 4.498 -7.232 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.438 4.210 -5.889 1.00 0.00 H new ATOM 0 HG SER A 60 -14.803 5.601 -5.947 1.00 0.00 H new ATOM 913 N ARG A 61 -12.602 8.308 -6.414 1.00 0.00 N ATOM 914 CA ARG A 61 -13.293 9.581 -6.607 1.00 0.00 C ATOM 915 C ARG A 61 -12.558 10.475 -7.600 1.00 0.00 C ATOM 916 O ARG A 61 -12.772 11.688 -7.625 1.00 0.00 O ATOM 917 CB ARG A 61 -13.445 10.305 -5.268 1.00 0.00 C ATOM 918 CG ARG A 61 -14.682 11.186 -5.188 1.00 0.00 C ATOM 919 CD ARG A 61 -14.478 12.346 -4.228 1.00 0.00 C ATOM 920 NE ARG A 61 -15.343 13.478 -4.546 1.00 0.00 N ATOM 921 CZ ARG A 61 -16.623 13.551 -4.191 1.00 0.00 C ATOM 922 NH1 ARG A 61 -17.184 12.561 -3.511 1.00 0.00 N ATOM 923 NH2 ARG A 61 -17.342 14.615 -4.518 1.00 0.00 N ATOM 0 H ARG A 61 -12.019 8.261 -5.579 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.279 9.364 -7.018 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.483 9.566 -4.468 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.561 10.918 -5.094 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.921 11.571 -6.180 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.535 10.589 -4.864 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -14.677 12.013 -3.209 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.436 12.665 -4.261 1.00 0.00 H new ATOM 0 HE ARG A 61 -14.944 14.257 -5.070 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -16.634 11.740 -3.258 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -18.166 12.620 -3.240 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -16.914 15.378 -5.042 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -18.323 14.671 -4.246 1.00 0.00 H new ATOM 937 N TRP A 62 -11.696 9.881 -8.420 1.00 0.00 N ATOM 938 CA TRP A 62 -10.948 10.651 -9.408 1.00 0.00 C ATOM 939 C TRP A 62 -10.371 9.766 -10.511 1.00 0.00 C ATOM 940 O TRP A 62 -10.325 10.164 -11.675 1.00 0.00 O ATOM 941 CB TRP A 62 -9.820 11.426 -8.726 1.00 0.00 C ATOM 942 CG TRP A 62 -9.976 12.914 -8.825 1.00 0.00 C ATOM 943 CD1 TRP A 62 -9.882 13.674 -9.955 1.00 0.00 C ATOM 944 CD2 TRP A 62 -10.251 13.820 -7.751 1.00 0.00 C ATOM 945 NE1 TRP A 62 -10.082 14.999 -9.649 1.00 0.00 N ATOM 946 CE2 TRP A 62 -10.311 15.114 -8.303 1.00 0.00 C ATOM 947 CE3 TRP A 62 -10.453 13.664 -6.377 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -10.565 16.243 -7.529 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -10.706 14.785 -5.610 1.00 0.00 C ATOM 950 CH2 TRP A 62 -10.759 16.060 -6.186 1.00 0.00 C ATOM 0 H TRP A 62 -11.499 8.880 -8.421 1.00 0.00 H new ATOM 0 HA TRP A 62 -11.647 11.347 -9.873 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -9.778 11.142 -7.675 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -8.869 11.137 -9.173 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -9.680 13.291 -10.944 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -10.063 15.771 -10.315 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -10.412 12.685 -5.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -10.607 17.227 -7.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -10.866 14.676 -4.547 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -10.957 16.916 -5.558 1.00 0.00 H new ATOM 961 N TRP A 63 -9.895 8.584 -10.134 1.00 0.00 N ATOM 962 CA TRP A 63 -9.278 7.671 -11.091 1.00 0.00 C ATOM 963 C TRP A 63 -10.258 6.652 -11.664 1.00 0.00 C ATOM 964 O TRP A 63 -10.539 6.655 -12.862 1.00 0.00 O ATOM 965 CB TRP A 63 -8.105 6.943 -10.429 1.00 0.00 C ATOM 966 CG TRP A 63 -7.033 7.874 -9.956 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.403 7.875 -8.743 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.471 8.954 -10.699 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.477 8.891 -8.697 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.502 9.569 -9.888 1.00 0.00 C ATOM 971 CE3 TRP A 63 -6.697 9.454 -11.978 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -4.760 10.666 -10.322 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -5.970 10.538 -12.409 1.00 0.00 C ATOM 974 CH2 TRP A 63 -5.008 11.138 -11.584 1.00 0.00 C ATOM 0 H TRP A 63 -9.924 8.236 -9.176 1.00 0.00 H new ATOM 0 HA TRP A 63 -8.928 8.278 -11.926 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.475 6.363 -9.583 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -7.677 6.235 -11.138 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.603 7.181 -7.940 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -4.870 9.105 -7.905 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.433 8.997 -12.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.017 11.127 -9.687 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.143 10.934 -13.399 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.452 11.988 -11.950 1.00 0.00 H new ATOM 985 N CYS A 64 -10.739 5.755 -10.815 1.00 0.00 N ATOM 986 CA CYS A 64 -11.646 4.707 -11.268 1.00 0.00 C ATOM 987 C CYS A 64 -13.104 5.040 -11.014 1.00 0.00 C ATOM 988 O CYS A 64 -13.432 5.918 -10.220 1.00 0.00 O ATOM 989 CB CYS A 64 -11.301 3.375 -10.601 1.00 0.00 C ATOM 990 SG CYS A 64 -11.808 3.250 -8.855 1.00 0.00 S ATOM 0 H CYS A 64 -10.520 5.730 -9.819 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.512 4.628 -12.347 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.774 2.569 -11.162 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -10.224 3.219 -10.665 1.00 0.00 H new ATOM 995 N ASN A 65 -13.974 4.315 -11.707 1.00 0.00 N ATOM 996 CA ASN A 65 -15.413 4.507 -11.574 1.00 0.00 C ATOM 997 C ASN A 65 -16.034 3.385 -10.748 1.00 0.00 C ATOM 998 O ASN A 65 -16.052 2.228 -11.171 1.00 0.00 O ATOM 999 CB ASN A 65 -16.073 4.567 -12.953 1.00 0.00 C ATOM 1000 CG ASN A 65 -17.516 5.024 -12.886 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -17.802 6.221 -12.926 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -18.436 4.072 -12.783 1.00 0.00 N ATOM 0 H ASN A 65 -13.707 3.586 -12.369 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.583 5.453 -11.059 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.509 5.246 -13.593 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.028 3.582 -13.417 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -19.424 4.321 -12.734 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -18.155 3.092 -12.753 1.00 0.00 H new ATOM 1009 N ASP A 66 -16.536 3.732 -9.568 1.00 0.00 N ATOM 1010 CA ASP A 66 -17.152 2.751 -8.681 1.00 0.00 C ATOM 1011 C ASP A 66 -18.672 2.767 -8.815 1.00 0.00 C ATOM 1012 O ASP A 66 -19.345 1.802 -8.453 1.00 0.00 O ATOM 1013 CB ASP A 66 -16.753 3.024 -7.230 1.00 0.00 C ATOM 1014 CG ASP A 66 -17.107 4.430 -6.787 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -16.451 5.384 -7.257 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -18.041 4.578 -5.971 1.00 0.00 O ATOM 0 H ASP A 66 -16.529 4.685 -9.203 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.793 1.763 -8.971 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -17.249 2.305 -6.578 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.680 2.870 -7.116 1.00 0.00 H new ATOM 1021 N GLY A 67 -19.206 3.866 -9.338 1.00 0.00 N ATOM 1022 CA GLY A 67 -20.643 3.984 -9.513 1.00 0.00 C ATOM 1023 C GLY A 67 -21.372 4.245 -8.209 1.00 0.00 C ATOM 1024 O GLY A 67 -22.564 4.555 -8.209 1.00 0.00 O ATOM 0 H GLY A 67 -18.669 4.678 -9.644 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.855 4.794 -10.211 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -21.027 3.068 -9.962 1.00 0.00 H new ATOM 1028 N ARG A 68 -20.658 4.118 -7.093 1.00 0.00 N ATOM 1029 CA ARG A 68 -21.250 4.342 -5.778 1.00 0.00 C ATOM 1030 C ARG A 68 -20.980 5.763 -5.294 1.00 0.00 C ATOM 1031 O ARG A 68 -21.409 6.150 -4.206 1.00 0.00 O ATOM 1032 CB ARG A 68 -20.696 3.334 -4.769 1.00 0.00 C ATOM 1033 CG ARG A 68 -21.191 1.914 -4.995 1.00 0.00 C ATOM 1034 CD ARG A 68 -22.449 1.629 -4.192 1.00 0.00 C ATOM 1035 NE ARG A 68 -23.649 1.665 -5.023 1.00 0.00 N ATOM 1036 CZ ARG A 68 -24.128 0.608 -5.673 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -23.511 -0.563 -5.589 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -25.225 0.722 -6.409 1.00 0.00 N ATOM 0 H ARG A 68 -19.671 3.862 -7.074 1.00 0.00 H new ATOM 0 HA ARG A 68 -22.328 4.206 -5.864 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -19.607 3.343 -4.819 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -20.971 3.650 -3.763 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -21.393 1.762 -6.055 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -20.411 1.206 -4.714 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -22.364 0.650 -3.721 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -22.541 2.362 -3.390 1.00 0.00 H new ATOM 0 HE ARG A 68 -24.148 2.550 -5.110 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -22.666 -0.655 -5.025 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -23.881 -1.371 -6.089 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -25.702 1.621 -6.477 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -25.592 -0.089 -6.907 1.00 0.00 H new ATOM 1052 N THR A 69 -20.267 6.535 -6.108 1.00 0.00 N ATOM 1053 CA THR A 69 -19.941 7.913 -5.762 1.00 0.00 C ATOM 1054 C THR A 69 -20.123 8.839 -6.963 1.00 0.00 C ATOM 1055 O THR A 69 -19.335 8.801 -7.908 1.00 0.00 O ATOM 1056 CB THR A 69 -18.495 8.037 -5.249 1.00 0.00 C ATOM 1057 OG1 THR A 69 -18.165 6.905 -4.434 1.00 0.00 O ATOM 1058 CG2 THR A 69 -18.313 9.315 -4.445 1.00 0.00 C ATOM 0 H THR A 69 -19.904 6.230 -7.011 1.00 0.00 H new ATOM 0 HA THR A 69 -20.627 8.210 -4.968 1.00 0.00 H new ATOM 0 HB THR A 69 -17.829 8.071 -6.112 1.00 0.00 H new ATOM 0 HG1 THR A 69 -18.065 6.112 -5.001 1.00 0.00 H new ATOM 0 HG21 THR A 69 -17.283 9.380 -4.093 1.00 0.00 H new ATOM 0 HG22 THR A 69 -18.536 10.176 -5.075 1.00 0.00 H new ATOM 0 HG23 THR A 69 -18.989 9.306 -3.590 1.00 0.00 H new ATOM 1066 N PRO A 70 -21.166 9.687 -6.943 1.00 0.00 N ATOM 1067 CA PRO A 70 -21.443 10.624 -8.037 1.00 0.00 C ATOM 1068 C PRO A 70 -20.365 11.696 -8.165 1.00 0.00 C ATOM 1069 O PRO A 70 -20.237 12.567 -7.305 1.00 0.00 O ATOM 1070 CB PRO A 70 -22.781 11.255 -7.644 1.00 0.00 C ATOM 1071 CG PRO A 70 -22.860 11.093 -6.166 1.00 0.00 C ATOM 1072 CD PRO A 70 -22.156 9.803 -5.855 1.00 0.00 C ATOM 0 HA PRO A 70 -21.465 10.123 -9.005 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -22.821 12.306 -7.929 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -23.614 10.758 -8.141 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -22.385 11.930 -5.655 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -23.897 11.063 -5.831 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -21.677 9.832 -4.876 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -22.846 8.959 -5.847 1.00 0.00 H new ATOM 1080 N GLY A 71 -19.592 11.623 -9.243 1.00 0.00 N ATOM 1081 CA GLY A 71 -18.535 12.593 -9.465 1.00 0.00 C ATOM 1082 C GLY A 71 -17.233 11.944 -9.895 1.00 0.00 C ATOM 1083 O GLY A 71 -16.211 12.617 -10.026 1.00 0.00 O ATOM 0 H GLY A 71 -19.678 10.910 -9.967 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -18.853 13.304 -10.228 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.369 13.161 -8.550 1.00 0.00 H new ATOM 1087 N SER A 72 -17.270 10.633 -10.114 1.00 0.00 N ATOM 1088 CA SER A 72 -16.085 9.891 -10.531 1.00 0.00 C ATOM 1089 C SER A 72 -15.519 10.459 -11.830 1.00 0.00 C ATOM 1090 O SER A 72 -16.162 10.398 -12.879 1.00 0.00 O ATOM 1091 CB SER A 72 -16.422 8.410 -10.713 1.00 0.00 C ATOM 1092 OG SER A 72 -15.901 7.634 -9.648 1.00 0.00 O ATOM 0 H SER A 72 -18.109 10.062 -10.009 1.00 0.00 H new ATOM 0 HA SER A 72 -15.330 9.991 -9.751 1.00 0.00 H new ATOM 0 HB2 SER A 72 -17.503 8.283 -10.764 1.00 0.00 H new ATOM 0 HB3 SER A 72 -16.014 8.055 -11.659 1.00 0.00 H new ATOM 0 HG SER A 72 -14.974 7.899 -9.473 1.00 0.00 H new ATOM 1098 N ARG A 73 -14.314 11.011 -11.750 1.00 0.00 N ATOM 1099 CA ARG A 73 -13.658 11.592 -12.917 1.00 0.00 C ATOM 1100 C ARG A 73 -13.334 10.519 -13.952 1.00 0.00 C ATOM 1101 O ARG A 73 -13.441 10.754 -15.156 1.00 0.00 O ATOM 1102 CB ARG A 73 -12.378 12.319 -12.500 1.00 0.00 C ATOM 1103 CG ARG A 73 -12.200 13.669 -13.173 1.00 0.00 C ATOM 1104 CD ARG A 73 -12.506 14.812 -12.218 1.00 0.00 C ATOM 1105 NE ARG A 73 -12.828 16.048 -12.928 1.00 0.00 N ATOM 1106 CZ ARG A 73 -13.060 17.208 -12.323 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -13.005 17.292 -11.000 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -13.347 18.287 -13.039 1.00 0.00 N ATOM 0 H ARG A 73 -13.770 11.069 -10.889 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.344 12.309 -13.368 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.385 12.459 -11.419 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -11.520 11.689 -12.734 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -11.177 13.763 -13.538 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -12.856 13.733 -14.041 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -13.342 14.534 -11.576 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.648 14.981 -11.568 1.00 0.00 H new ATOM 0 HE ARG A 73 -12.877 16.019 -13.946 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.784 16.465 -10.445 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -13.183 18.184 -10.538 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -13.390 18.227 -14.056 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -13.525 19.176 -12.572 1.00 0.00 H new ATOM 1122 N ASN A 74 -12.934 9.343 -13.474 1.00 0.00 N ATOM 1123 CA ASN A 74 -12.589 8.230 -14.355 1.00 0.00 C ATOM 1124 C ASN A 74 -11.409 8.618 -15.236 1.00 0.00 C ATOM 1125 O ASN A 74 -11.297 8.186 -16.384 1.00 0.00 O ATOM 1126 CB ASN A 74 -13.789 7.835 -15.220 1.00 0.00 C ATOM 1127 CG ASN A 74 -13.737 6.382 -15.651 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -13.926 6.063 -16.825 1.00 0.00 O ATOM 1129 ND2 ASN A 74 -13.482 5.491 -14.700 1.00 0.00 N ATOM 0 H ASN A 74 -12.841 9.136 -12.480 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.312 7.371 -13.743 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.709 8.013 -14.664 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.822 8.472 -16.104 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -13.437 4.498 -14.930 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -13.332 5.799 -13.739 1.00 0.00 H new ATOM 1136 N LEU A 75 -10.529 9.433 -14.670 1.00 0.00 N ATOM 1137 CA LEU A 75 -9.337 9.899 -15.349 1.00 0.00 C ATOM 1138 C LEU A 75 -8.498 8.739 -15.825 1.00 0.00 C ATOM 1139 O LEU A 75 -7.880 8.769 -16.889 1.00 0.00 O ATOM 1140 CB LEU A 75 -8.528 10.704 -14.355 1.00 0.00 C ATOM 1141 CG LEU A 75 -8.810 12.205 -14.359 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -8.045 12.905 -13.248 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -8.469 12.813 -15.711 1.00 0.00 C ATOM 0 H LEU A 75 -10.627 9.790 -13.719 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.623 10.496 -16.215 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.720 10.316 -13.355 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.469 10.548 -14.560 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.875 12.348 -14.178 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.263 13.973 -13.273 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.347 12.495 -12.284 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.975 12.750 -13.389 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.677 13.883 -15.692 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.412 12.653 -15.926 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.072 12.340 -16.485 1.00 0.00 H new ATOM 1155 N CYS A 76 -8.491 7.730 -14.995 1.00 0.00 N ATOM 1156 CA CYS A 76 -7.750 6.521 -15.231 1.00 0.00 C ATOM 1157 C CYS A 76 -8.596 5.555 -16.048 1.00 0.00 C ATOM 1158 O CYS A 76 -8.112 4.525 -16.519 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.407 5.960 -13.864 1.00 0.00 C ATOM 1160 SG CYS A 76 -6.265 4.542 -13.836 1.00 0.00 S ATOM 0 H CYS A 76 -9.011 7.726 -14.118 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.838 6.697 -15.801 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -6.973 6.761 -13.265 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -8.334 5.662 -13.374 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.876 5.912 -16.190 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.830 5.091 -16.926 1.00 0.00 C ATOM 1167 C ASN A 77 -10.576 3.648 -16.555 1.00 0.00 C ATOM 1168 O ASN A 77 -10.409 2.778 -17.411 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.674 5.295 -18.435 1.00 0.00 C ATOM 1170 CG ASN A 77 -11.986 5.138 -19.178 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -12.624 6.122 -19.553 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -12.396 3.893 -19.396 1.00 0.00 N ATOM 0 H ASN A 77 -10.272 6.768 -15.802 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.849 5.376 -16.666 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.269 6.289 -18.625 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.952 4.577 -18.823 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -13.271 3.724 -19.892 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.836 3.107 -19.068 1.00 0.00 H new ATOM 1179 N ILE A 78 -10.487 3.430 -15.254 1.00 0.00 N ATOM 1180 CA ILE A 78 -10.185 2.145 -14.719 1.00 0.00 C ATOM 1181 C ILE A 78 -11.299 1.576 -13.840 1.00 0.00 C ATOM 1182 O ILE A 78 -12.062 2.317 -13.221 1.00 0.00 O ATOM 1183 CB ILE A 78 -8.882 2.248 -13.941 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -7.945 1.188 -14.433 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -9.087 2.150 -12.441 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -6.854 1.720 -15.335 1.00 0.00 C ATOM 0 H ILE A 78 -10.626 4.154 -14.549 1.00 0.00 H new ATOM 0 HA ILE A 78 -10.087 1.446 -15.550 1.00 0.00 H new ATOM 0 HB ILE A 78 -8.452 3.234 -14.116 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.488 0.692 -13.577 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.515 0.432 -14.973 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -8.124 2.230 -11.936 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -9.739 2.958 -12.109 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.546 1.191 -12.198 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -6.213 0.898 -15.654 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.303 2.191 -16.210 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.259 2.455 -14.792 1.00 0.00 H new ATOM 1198 N PRO A 79 -11.387 0.237 -13.768 1.00 0.00 N ATOM 1199 CA PRO A 79 -12.373 -0.466 -12.964 1.00 0.00 C ATOM 1200 C PRO A 79 -11.855 -0.705 -11.550 1.00 0.00 C ATOM 1201 O PRO A 79 -10.878 -1.428 -11.355 1.00 0.00 O ATOM 1202 CB PRO A 79 -12.554 -1.796 -13.706 1.00 0.00 C ATOM 1203 CG PRO A 79 -11.405 -1.907 -14.670 1.00 0.00 C ATOM 1204 CD PRO A 79 -10.515 -0.709 -14.459 1.00 0.00 C ATOM 0 HA PRO A 79 -13.302 0.092 -12.851 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -12.556 -2.633 -13.007 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -13.507 -1.819 -14.234 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -10.851 -2.830 -14.500 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -11.769 -1.938 -15.697 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -9.638 -0.959 -13.861 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -10.152 -0.306 -15.404 1.00 0.00 H new ATOM 1212 N CYS A 80 -12.499 -0.079 -10.573 1.00 0.00 N ATOM 1213 CA CYS A 80 -12.091 -0.203 -9.178 1.00 0.00 C ATOM 1214 C CYS A 80 -11.987 -1.662 -8.732 1.00 0.00 C ATOM 1215 O CYS A 80 -10.970 -2.074 -8.175 1.00 0.00 O ATOM 1216 CB CYS A 80 -13.073 0.550 -8.281 1.00 0.00 C ATOM 1217 SG CYS A 80 -13.541 2.193 -8.917 1.00 0.00 S ATOM 0 H CYS A 80 -13.309 0.522 -10.721 1.00 0.00 H new ATOM 0 HA CYS A 80 -11.097 0.235 -9.088 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -13.974 -0.052 -8.159 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -12.631 0.666 -7.292 1.00 0.00 H new ATOM 1222 N SER A 81 -13.043 -2.433 -8.963 1.00 0.00 N ATOM 1223 CA SER A 81 -13.071 -3.839 -8.563 1.00 0.00 C ATOM 1224 C SER A 81 -11.981 -4.659 -9.254 1.00 0.00 C ATOM 1225 O SER A 81 -11.650 -5.757 -8.806 1.00 0.00 O ATOM 1226 CB SER A 81 -14.443 -4.444 -8.865 1.00 0.00 C ATOM 1227 OG SER A 81 -14.602 -4.679 -10.255 1.00 0.00 O ATOM 0 H SER A 81 -13.893 -2.110 -9.425 1.00 0.00 H new ATOM 0 HA SER A 81 -12.879 -3.874 -7.491 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.559 -5.380 -8.319 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.226 -3.771 -8.515 1.00 0.00 H new ATOM 0 HG SER A 81 -15.486 -5.067 -10.422 1.00 0.00 H new ATOM 1233 N ALA A 82 -11.431 -4.136 -10.346 1.00 0.00 N ATOM 1234 CA ALA A 82 -10.387 -4.845 -11.083 1.00 0.00 C ATOM 1235 C ALA A 82 -9.006 -4.589 -10.487 1.00 0.00 C ATOM 1236 O ALA A 82 -8.076 -5.368 -10.695 1.00 0.00 O ATOM 1237 CB ALA A 82 -10.412 -4.439 -12.549 1.00 0.00 C ATOM 0 H ALA A 82 -11.688 -3.230 -10.739 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.589 -5.913 -11.003 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.630 -4.974 -13.088 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.383 -4.686 -12.979 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.241 -3.366 -12.632 1.00 0.00 H new ATOM 1243 N LEU A 83 -8.883 -3.496 -9.743 1.00 0.00 N ATOM 1244 CA LEU A 83 -7.613 -3.139 -9.115 1.00 0.00 C ATOM 1245 C LEU A 83 -7.532 -3.685 -7.696 1.00 0.00 C ATOM 1246 O LEU A 83 -6.518 -3.526 -7.017 1.00 0.00 O ATOM 1247 CB LEU A 83 -7.424 -1.620 -9.091 1.00 0.00 C ATOM 1248 CG LEU A 83 -8.247 -0.839 -10.114 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -8.766 0.451 -9.501 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -7.417 -0.545 -11.353 1.00 0.00 C ATOM 0 H LEU A 83 -9.644 -2.842 -9.559 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.817 -3.586 -9.710 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.675 -1.256 -8.095 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -6.369 -1.400 -9.255 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.100 -1.449 -10.410 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.350 0.997 -10.242 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.395 0.218 -8.642 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.925 1.065 -9.179 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.019 0.012 -12.071 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.545 0.047 -11.075 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -7.091 -1.483 -11.803 1.00 0.00 H new ATOM 1262 N LEU A 84 -8.614 -4.307 -7.245 1.00 0.00 N ATOM 1263 CA LEU A 84 -8.666 -4.853 -5.896 1.00 0.00 C ATOM 1264 C LEU A 84 -8.495 -6.368 -5.892 1.00 0.00 C ATOM 1265 O LEU A 84 -8.396 -6.985 -4.831 1.00 0.00 O ATOM 1266 CB LEU A 84 -9.984 -4.458 -5.231 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.368 -2.983 -5.391 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -11.378 -2.579 -4.332 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.137 -2.086 -5.321 1.00 0.00 C ATOM 0 H LEU A 84 -9.464 -4.445 -7.792 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.835 -4.434 -5.328 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -10.782 -5.074 -5.645 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -9.922 -4.689 -4.168 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.823 -2.858 -6.374 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -11.639 -1.529 -4.460 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.274 -3.191 -4.432 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -10.946 -2.727 -3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.438 -1.045 -5.437 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.646 -2.216 -4.356 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.445 -2.355 -6.119 1.00 0.00 H new ATOM 1281 N SER A 85 -8.455 -6.964 -7.078 1.00 0.00 N ATOM 1282 CA SER A 85 -8.284 -8.407 -7.201 1.00 0.00 C ATOM 1283 C SER A 85 -6.932 -8.842 -6.653 1.00 0.00 C ATOM 1284 O SER A 85 -6.170 -8.031 -6.124 1.00 0.00 O ATOM 1285 CB SER A 85 -8.411 -8.831 -8.666 1.00 0.00 C ATOM 1286 OG SER A 85 -7.702 -7.947 -9.517 1.00 0.00 O ATOM 0 H SER A 85 -8.539 -6.471 -7.967 1.00 0.00 H new ATOM 0 HA SER A 85 -9.066 -8.892 -6.618 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.028 -9.844 -8.789 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.463 -8.851 -8.952 1.00 0.00 H new ATOM 0 HG SER A 85 -8.288 -7.208 -9.782 1.00 0.00 H new ATOM 1292 N SER A 86 -6.639 -10.127 -6.793 1.00 0.00 N ATOM 1293 CA SER A 86 -5.374 -10.685 -6.323 1.00 0.00 C ATOM 1294 C SER A 86 -4.269 -10.397 -7.331 1.00 0.00 C ATOM 1295 O SER A 86 -3.290 -11.138 -7.433 1.00 0.00 O ATOM 1296 CB SER A 86 -5.506 -12.193 -6.103 1.00 0.00 C ATOM 1297 OG SER A 86 -5.950 -12.844 -7.280 1.00 0.00 O ATOM 0 H SER A 86 -7.261 -10.807 -7.230 1.00 0.00 H new ATOM 0 HA SER A 86 -5.117 -10.216 -5.373 1.00 0.00 H new ATOM 0 HB2 SER A 86 -4.544 -12.604 -5.797 1.00 0.00 H new ATOM 0 HB3 SER A 86 -6.207 -12.385 -5.291 1.00 0.00 H new ATOM 0 HG SER A 86 -6.024 -13.807 -7.113 1.00 0.00 H new ATOM 1303 N ASP A 87 -4.446 -9.315 -8.077 1.00 0.00 N ATOM 1304 CA ASP A 87 -3.489 -8.907 -9.091 1.00 0.00 C ATOM 1305 C ASP A 87 -3.228 -7.407 -9.002 1.00 0.00 C ATOM 1306 O ASP A 87 -4.159 -6.604 -9.068 1.00 0.00 O ATOM 1307 CB ASP A 87 -4.023 -9.274 -10.474 1.00 0.00 C ATOM 1308 CG ASP A 87 -3.069 -8.896 -11.589 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -1.857 -8.770 -11.318 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -3.535 -8.729 -12.736 1.00 0.00 O ATOM 0 H ASP A 87 -5.255 -8.699 -7.995 1.00 0.00 H new ATOM 0 HA ASP A 87 -2.546 -9.428 -8.923 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.213 -10.347 -10.512 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.979 -8.775 -10.634 1.00 0.00 H new ATOM 1315 N ILE A 88 -1.961 -7.034 -8.844 1.00 0.00 N ATOM 1316 CA ILE A 88 -1.592 -5.626 -8.736 1.00 0.00 C ATOM 1317 C ILE A 88 -1.521 -4.958 -10.101 1.00 0.00 C ATOM 1318 O ILE A 88 -1.327 -3.750 -10.190 1.00 0.00 O ATOM 1319 CB ILE A 88 -0.234 -5.435 -8.033 1.00 0.00 C ATOM 1320 CG1 ILE A 88 0.677 -6.637 -8.283 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -0.429 -5.209 -6.543 1.00 0.00 C ATOM 1322 CD1 ILE A 88 2.146 -6.280 -8.313 1.00 0.00 C ATOM 0 H ILE A 88 -1.176 -7.683 -8.788 1.00 0.00 H new ATOM 0 HA ILE A 88 -2.375 -5.160 -8.138 1.00 0.00 H new ATOM 0 HB ILE A 88 0.246 -4.551 -8.452 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.507 -7.381 -7.504 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.404 -7.100 -9.231 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.542 -5.076 -6.065 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.035 -4.317 -6.387 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.933 -6.071 -6.107 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.735 -7.179 -8.494 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.329 -5.559 -9.110 1.00 0.00 H new ATOM 0 HD13 ILE A 88 2.434 -5.844 -7.356 1.00 0.00 H new ATOM 1334 N THR A 89 -1.669 -5.743 -11.163 1.00 0.00 N ATOM 1335 CA THR A 89 -1.609 -5.202 -12.514 1.00 0.00 C ATOM 1336 C THR A 89 -2.523 -3.993 -12.662 1.00 0.00 C ATOM 1337 O THR A 89 -2.102 -2.945 -13.147 1.00 0.00 O ATOM 1338 CB THR A 89 -1.995 -6.260 -13.566 1.00 0.00 C ATOM 1339 OG1 THR A 89 -1.127 -7.395 -13.460 1.00 0.00 O ATOM 1340 CG2 THR A 89 -1.912 -5.684 -14.972 1.00 0.00 C ATOM 0 H THR A 89 -1.830 -6.749 -11.114 1.00 0.00 H new ATOM 0 HA THR A 89 -0.577 -4.896 -12.685 1.00 0.00 H new ATOM 0 HB THR A 89 -3.023 -6.568 -13.377 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.159 -7.747 -12.546 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.189 -6.450 -15.696 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.594 -4.838 -15.060 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.893 -5.350 -15.169 1.00 0.00 H new ATOM 1348 N ALA A 90 -3.779 -4.148 -12.259 1.00 0.00 N ATOM 1349 CA ALA A 90 -4.750 -3.080 -12.361 1.00 0.00 C ATOM 1350 C ALA A 90 -4.416 -1.907 -11.437 1.00 0.00 C ATOM 1351 O ALA A 90 -4.390 -0.755 -11.873 1.00 0.00 O ATOM 1352 CB ALA A 90 -6.143 -3.610 -12.067 1.00 0.00 C ATOM 0 H ALA A 90 -4.144 -5.011 -11.857 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.717 -2.703 -13.383 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.866 -2.798 -12.147 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -6.394 -4.391 -12.785 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.170 -4.022 -11.058 1.00 0.00 H new ATOM 1358 N SER A 91 -4.157 -2.202 -10.164 1.00 0.00 N ATOM 1359 CA SER A 91 -3.821 -1.166 -9.189 1.00 0.00 C ATOM 1360 C SER A 91 -2.562 -0.413 -9.595 1.00 0.00 C ATOM 1361 O SER A 91 -2.419 0.779 -9.317 1.00 0.00 O ATOM 1362 CB SER A 91 -3.625 -1.783 -7.803 1.00 0.00 C ATOM 1363 OG SER A 91 -3.982 -3.154 -7.798 1.00 0.00 O ATOM 0 H SER A 91 -4.173 -3.149 -9.784 1.00 0.00 H new ATOM 0 HA SER A 91 -4.651 -0.460 -9.157 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.584 -1.674 -7.497 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.230 -1.244 -7.073 1.00 0.00 H new ATOM 0 HG SER A 91 -4.913 -3.249 -7.507 1.00 0.00 H new ATOM 1369 N VAL A 92 -1.654 -1.114 -10.253 1.00 0.00 N ATOM 1370 CA VAL A 92 -0.415 -0.493 -10.684 1.00 0.00 C ATOM 1371 C VAL A 92 -0.605 0.274 -11.971 1.00 0.00 C ATOM 1372 O VAL A 92 -0.113 1.382 -12.093 1.00 0.00 O ATOM 1373 CB VAL A 92 0.741 -1.495 -10.865 1.00 0.00 C ATOM 1374 CG1 VAL A 92 1.924 -0.814 -11.551 1.00 0.00 C ATOM 1375 CG2 VAL A 92 1.157 -2.082 -9.525 1.00 0.00 C ATOM 0 H VAL A 92 -1.749 -2.100 -10.497 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.141 0.189 -9.879 1.00 0.00 H new ATOM 0 HB VAL A 92 0.398 -2.313 -11.498 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.735 -1.531 -11.674 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.614 -0.445 -12.529 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.267 0.021 -10.940 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.975 -2.787 -9.675 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.486 -1.281 -8.863 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.309 -2.599 -9.076 1.00 0.00 H new ATOM 1385 N ASN A 93 -1.304 -0.308 -12.932 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.533 0.352 -14.184 1.00 0.00 C ATOM 1387 C ASN A 93 -2.111 1.739 -13.951 1.00 0.00 C ATOM 1388 O ASN A 93 -1.685 2.721 -14.564 1.00 0.00 O ATOM 1389 CB ASN A 93 -2.447 -0.502 -15.043 1.00 0.00 C ATOM 1390 CG ASN A 93 -3.796 0.136 -15.305 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -4.781 -0.181 -14.639 1.00 0.00 O ATOM 1392 ND2 ASN A 93 -3.846 1.036 -16.280 1.00 0.00 N ATOM 0 H ASN A 93 -1.718 -1.237 -12.858 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.588 0.479 -14.713 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.956 -0.701 -15.996 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.597 -1.465 -14.555 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.728 1.497 -16.504 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -3.002 1.266 -16.805 1.00 0.00 H new ATOM 1399 N CYS A 94 -3.065 1.812 -13.032 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.684 3.077 -12.687 1.00 0.00 C ATOM 1401 C CYS A 94 -2.646 4.008 -12.073 1.00 0.00 C ATOM 1402 O CYS A 94 -2.519 5.161 -12.483 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.844 2.853 -11.718 1.00 0.00 C ATOM 1404 SG CYS A 94 -6.185 4.079 -11.858 1.00 0.00 S ATOM 0 H CYS A 94 -3.424 1.009 -12.515 1.00 0.00 H new ATOM 0 HA CYS A 94 -4.079 3.539 -13.592 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -5.257 1.859 -11.888 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -4.459 2.868 -10.699 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.894 3.502 -11.089 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.868 4.319 -10.449 1.00 0.00 C ATOM 1411 C ALA A 95 0.234 4.635 -11.442 1.00 0.00 C ATOM 1412 O ALA A 95 0.863 5.686 -11.369 1.00 0.00 O ATOM 1413 CB ALA A 95 -0.302 3.642 -9.223 1.00 0.00 C ATOM 0 H ALA A 95 -1.976 2.552 -10.728 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.331 5.250 -10.121 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.459 4.280 -8.774 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.101 3.467 -8.502 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.145 2.689 -9.507 1.00 0.00 H new ATOM 1419 N LYS A 96 0.447 3.724 -12.385 1.00 0.00 N ATOM 1420 CA LYS A 96 1.449 3.920 -13.414 1.00 0.00 C ATOM 1421 C LYS A 96 1.156 5.258 -14.074 1.00 0.00 C ATOM 1422 O LYS A 96 2.048 6.051 -14.382 1.00 0.00 O ATOM 1423 CB LYS A 96 1.390 2.793 -14.448 1.00 0.00 C ATOM 1424 CG LYS A 96 2.245 1.590 -14.089 1.00 0.00 C ATOM 1425 CD LYS A 96 1.944 0.404 -14.990 1.00 0.00 C ATOM 1426 CE LYS A 96 2.816 0.416 -16.236 1.00 0.00 C ATOM 1427 NZ LYS A 96 4.066 -0.371 -16.047 1.00 0.00 N ATOM 0 H LYS A 96 -0.064 2.844 -12.454 1.00 0.00 H new ATOM 0 HA LYS A 96 2.449 3.911 -12.981 1.00 0.00 H new ATOM 0 HB2 LYS A 96 0.355 2.471 -14.563 1.00 0.00 H new ATOM 0 HB3 LYS A 96 1.712 3.181 -15.414 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.299 1.854 -14.173 1.00 0.00 H new ATOM 0 HG3 LYS A 96 2.067 1.313 -13.050 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.106 -0.523 -14.440 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.893 0.423 -15.280 1.00 0.00 H new ATOM 0 HE2 LYS A 96 2.254 0.008 -17.076 1.00 0.00 H new ATOM 0 HE3 LYS A 96 3.070 1.445 -16.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.247 -0.944 -16.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 4.864 0.277 -15.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 3.961 -0.997 -15.223 1.00 0.00 H new ATOM 1441 N LYS A 97 -0.144 5.498 -14.226 1.00 0.00 N ATOM 1442 CA LYS A 97 -0.646 6.738 -14.790 1.00 0.00 C ATOM 1443 C LYS A 97 -0.590 7.834 -13.733 1.00 0.00 C ATOM 1444 O LYS A 97 -0.420 9.010 -14.050 1.00 0.00 O ATOM 1445 CB LYS A 97 -2.081 6.560 -15.291 1.00 0.00 C ATOM 1446 CG LYS A 97 -2.361 7.279 -16.600 1.00 0.00 C ATOM 1447 CD LYS A 97 -3.303 8.456 -16.398 1.00 0.00 C ATOM 1448 CE LYS A 97 -4.613 8.256 -17.144 1.00 0.00 C ATOM 1449 NZ LYS A 97 -5.170 9.543 -17.643 1.00 0.00 N ATOM 0 H LYS A 97 -0.874 4.837 -13.961 1.00 0.00 H new ATOM 0 HA LYS A 97 -0.022 7.020 -15.638 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.283 5.497 -15.420 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.771 6.926 -14.530 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.424 7.631 -17.031 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.797 6.581 -17.314 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.505 8.584 -15.334 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.822 9.371 -16.743 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.453 7.580 -17.984 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -5.337 7.779 -16.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -6.198 9.561 -17.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.727 10.334 -17.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.975 9.635 -18.660 1.00 0.00 H new ATOM 1463 N ILE A 98 -0.715 7.429 -12.468 1.00 0.00 N ATOM 1464 CA ILE A 98 -0.658 8.368 -11.356 1.00 0.00 C ATOM 1465 C ILE A 98 0.705 9.052 -11.316 1.00 0.00 C ATOM 1466 O ILE A 98 0.805 10.276 -11.243 1.00 0.00 O ATOM 1467 CB ILE A 98 -0.923 7.676 -10.003 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -2.411 7.338 -9.866 1.00 0.00 C ATOM 1469 CG2 ILE A 98 -0.471 8.566 -8.852 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -2.747 6.557 -8.613 1.00 0.00 C ATOM 0 H ILE A 98 -0.856 6.457 -12.192 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.442 9.108 -11.517 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.350 6.750 -9.966 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.986 8.264 -9.871 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.725 6.763 -10.737 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.665 8.063 -7.905 1.00 0.00 H new ATOM 0 HG22 ILE A 98 0.596 8.766 -8.944 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -1.020 9.507 -8.882 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.818 6.355 -8.586 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.200 5.614 -8.614 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.465 7.139 -7.735 1.00 0.00 H new ATOM 1482 N VAL A 99 1.746 8.232 -11.353 1.00 0.00 N ATOM 1483 CA VAL A 99 3.120 8.709 -11.317 1.00 0.00 C ATOM 1484 C VAL A 99 3.552 9.292 -12.662 1.00 0.00 C ATOM 1485 O VAL A 99 4.515 10.055 -12.731 1.00 0.00 O ATOM 1486 CB VAL A 99 4.082 7.572 -10.928 1.00 0.00 C ATOM 1487 CG1 VAL A 99 4.156 6.531 -12.035 1.00 0.00 C ATOM 1488 CG2 VAL A 99 5.461 8.122 -10.609 1.00 0.00 C ATOM 0 H VAL A 99 1.661 7.217 -11.409 1.00 0.00 H new ATOM 0 HA VAL A 99 3.162 9.498 -10.566 1.00 0.00 H new ATOM 0 HB VAL A 99 3.696 7.087 -10.031 1.00 0.00 H new ATOM 0 HG11 VAL A 99 4.841 5.736 -11.741 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.165 6.111 -12.207 1.00 0.00 H new ATOM 0 HG13 VAL A 99 4.515 6.999 -12.951 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.126 7.302 -10.336 1.00 0.00 H new ATOM 0 HG22 VAL A 99 5.859 8.636 -11.484 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.390 8.823 -9.777 1.00 0.00 H new ATOM 1498 N SER A 100 2.840 8.933 -13.729 1.00 0.00 N ATOM 1499 CA SER A 100 3.170 9.432 -15.062 1.00 0.00 C ATOM 1500 C SER A 100 2.382 10.697 -15.396 1.00 0.00 C ATOM 1501 O SER A 100 2.641 11.349 -16.408 1.00 0.00 O ATOM 1502 CB SER A 100 2.893 8.358 -16.115 1.00 0.00 C ATOM 1503 OG SER A 100 3.234 8.814 -17.413 1.00 0.00 O ATOM 0 H SER A 100 2.038 8.304 -13.697 1.00 0.00 H new ATOM 0 HA SER A 100 4.231 9.680 -15.068 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.464 7.459 -15.881 1.00 0.00 H new ATOM 0 HB3 SER A 100 1.839 8.082 -16.089 1.00 0.00 H new ATOM 0 HG SER A 100 3.196 9.793 -17.436 1.00 0.00 H new ATOM 1509 N ASP A 101 1.415 11.035 -14.549 1.00 0.00 N ATOM 1510 CA ASP A 101 0.590 12.220 -14.770 1.00 0.00 C ATOM 1511 C ASP A 101 0.595 13.142 -13.554 1.00 0.00 C ATOM 1512 O ASP A 101 0.162 14.291 -13.636 1.00 0.00 O ATOM 1513 CB ASP A 101 -0.846 11.813 -15.105 1.00 0.00 C ATOM 1514 CG ASP A 101 -1.372 12.512 -16.342 1.00 0.00 C ATOM 1515 OD1 ASP A 101 -1.859 13.655 -16.217 1.00 0.00 O ATOM 1516 OD2 ASP A 101 -1.298 11.916 -17.438 1.00 0.00 O ATOM 0 H ASP A 101 1.183 10.509 -13.707 1.00 0.00 H new ATOM 0 HA ASP A 101 1.018 12.766 -15.611 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.889 10.734 -15.255 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -1.493 12.043 -14.258 1.00 0.00 H new ATOM 1521 N GLY A 102 1.079 12.633 -12.426 1.00 0.00 N ATOM 1522 CA GLY A 102 1.120 13.430 -11.215 1.00 0.00 C ATOM 1523 C GLY A 102 2.458 13.357 -10.506 1.00 0.00 C ATOM 1524 O GLY A 102 3.496 13.671 -11.090 1.00 0.00 O ATOM 0 H GLY A 102 1.443 11.685 -12.329 1.00 0.00 H new ATOM 0 HA2 GLY A 102 0.902 14.469 -11.462 1.00 0.00 H new ATOM 0 HA3 GLY A 102 0.336 13.092 -10.537 1.00 0.00 H new ATOM 1528 N ASN A 103 2.432 12.946 -9.243 1.00 0.00 N ATOM 1529 CA ASN A 103 3.649 12.835 -8.447 1.00 0.00 C ATOM 1530 C ASN A 103 4.028 11.373 -8.240 1.00 0.00 C ATOM 1531 O ASN A 103 3.186 10.482 -8.350 1.00 0.00 O ATOM 1532 CB ASN A 103 3.464 13.524 -7.094 1.00 0.00 C ATOM 1533 CG ASN A 103 4.086 14.906 -7.060 1.00 0.00 C ATOM 1534 OD1 ASN A 103 5.270 15.075 -7.350 1.00 0.00 O ATOM 1535 ND2 ASN A 103 3.287 15.905 -6.702 1.00 0.00 N ATOM 0 H ASN A 103 1.580 12.684 -8.748 1.00 0.00 H new ATOM 0 HA ASN A 103 4.456 13.329 -8.989 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.400 13.602 -6.871 1.00 0.00 H new ATOM 0 HB3 ASN A 103 3.909 12.909 -6.312 1.00 0.00 H new ATOM 0 HD21 ASN A 103 3.649 16.858 -6.659 1.00 0.00 H new ATOM 0 HD22 ASN A 103 2.311 15.720 -6.470 1.00 0.00 H new ATOM 1542 N GLY A 104 5.302 11.134 -7.946 1.00 0.00 N ATOM 1543 CA GLY A 104 5.774 9.781 -7.733 1.00 0.00 C ATOM 1544 C GLY A 104 5.305 9.190 -6.420 1.00 0.00 C ATOM 1545 O GLY A 104 4.105 9.067 -6.183 1.00 0.00 O ATOM 0 H GLY A 104 6.016 11.856 -7.852 1.00 0.00 H new ATOM 0 HA2 GLY A 104 5.431 9.149 -8.552 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.864 9.774 -7.760 1.00 0.00 H new ATOM 1549 N MET A 105 6.256 8.832 -5.563 1.00 0.00 N ATOM 1550 CA MET A 105 5.942 8.254 -4.264 1.00 0.00 C ATOM 1551 C MET A 105 5.610 9.356 -3.278 1.00 0.00 C ATOM 1552 O MET A 105 5.495 9.118 -2.077 1.00 0.00 O ATOM 1553 CB MET A 105 7.132 7.449 -3.740 1.00 0.00 C ATOM 1554 CG MET A 105 7.999 6.850 -4.833 1.00 0.00 C ATOM 1555 SD MET A 105 7.046 5.931 -6.055 1.00 0.00 S ATOM 1556 CE MET A 105 6.061 4.897 -4.982 1.00 0.00 C ATOM 0 H MET A 105 7.254 8.933 -5.747 1.00 0.00 H new ATOM 0 HA MET A 105 5.084 7.592 -4.376 1.00 0.00 H new ATOM 0 HB2 MET A 105 7.748 8.095 -3.114 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.762 6.646 -3.102 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.549 7.648 -5.333 1.00 0.00 H new ATOM 0 HG3 MET A 105 8.738 6.188 -4.382 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.015 3.888 -5.391 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.513 4.867 -3.991 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.053 5.305 -4.909 1.00 0.00 H new ATOM 1566 N ASN A 106 5.471 10.567 -3.796 1.00 0.00 N ATOM 1567 CA ASN A 106 5.171 11.718 -2.969 1.00 0.00 C ATOM 1568 C ASN A 106 3.669 11.970 -2.913 1.00 0.00 C ATOM 1569 O ASN A 106 3.158 12.507 -1.930 1.00 0.00 O ATOM 1570 CB ASN A 106 5.893 12.942 -3.526 1.00 0.00 C ATOM 1571 CG ASN A 106 7.175 12.577 -4.249 1.00 0.00 C ATOM 1572 OD1 ASN A 106 8.234 12.452 -3.634 1.00 0.00 O ATOM 1573 ND2 ASN A 106 7.086 12.405 -5.563 1.00 0.00 N ATOM 0 H ASN A 106 5.562 10.775 -4.790 1.00 0.00 H new ATOM 0 HA ASN A 106 5.516 11.523 -1.954 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.230 13.471 -4.211 1.00 0.00 H new ATOM 0 HB3 ASN A 106 6.122 13.628 -2.710 1.00 0.00 H new ATOM 0 HD21 ASN A 106 7.916 12.159 -6.103 1.00 0.00 H new ATOM 0 HD22 ASN A 106 6.188 12.519 -6.033 1.00 0.00 H new ATOM 1580 N ALA A 107 2.966 11.580 -3.974 1.00 0.00 N ATOM 1581 CA ALA A 107 1.522 11.766 -4.041 1.00 0.00 C ATOM 1582 C ALA A 107 0.836 11.114 -2.848 1.00 0.00 C ATOM 1583 O ALA A 107 -0.026 11.714 -2.207 1.00 0.00 O ATOM 1584 CB ALA A 107 0.977 11.194 -5.340 1.00 0.00 C ATOM 0 H ALA A 107 3.373 11.134 -4.796 1.00 0.00 H new ATOM 0 HA ALA A 107 1.313 12.835 -4.012 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -0.103 11.340 -5.377 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.441 11.703 -6.185 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.201 10.129 -5.391 1.00 0.00 H new ATOM 1590 N TRP A 108 1.231 9.881 -2.556 1.00 0.00 N ATOM 1591 CA TRP A 108 0.662 9.139 -1.443 1.00 0.00 C ATOM 1592 C TRP A 108 1.296 9.581 -0.126 1.00 0.00 C ATOM 1593 O TRP A 108 2.496 9.842 -0.053 1.00 0.00 O ATOM 1594 CB TRP A 108 0.835 7.640 -1.678 1.00 0.00 C ATOM 1595 CG TRP A 108 0.190 7.181 -2.955 1.00 0.00 C ATOM 1596 CD1 TRP A 108 -1.132 6.897 -3.150 1.00 0.00 C ATOM 1597 CD2 TRP A 108 0.833 6.972 -4.218 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -1.347 6.521 -4.455 1.00 0.00 N ATOM 1599 CE2 TRP A 108 -0.157 6.555 -5.132 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.150 7.094 -4.664 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 0.134 6.261 -6.466 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 2.436 6.804 -5.984 1.00 0.00 C ATOM 1603 CH2 TRP A 108 1.433 6.392 -6.871 1.00 0.00 C ATOM 0 H TRP A 108 1.946 9.374 -3.078 1.00 0.00 H new ATOM 0 HA TRP A 108 -0.405 9.350 -1.377 1.00 0.00 H new ATOM 0 HB2 TRP A 108 1.898 7.400 -1.704 1.00 0.00 H new ATOM 0 HB3 TRP A 108 0.405 7.092 -0.840 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -1.897 6.959 -2.390 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -2.248 6.259 -4.855 1.00 0.00 H new ATOM 0 HE3 TRP A 108 2.932 7.410 -3.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -0.638 5.942 -7.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.452 6.897 -6.339 1.00 0.00 H new ATOM 0 HH2 TRP A 108 1.692 6.173 -7.897 1.00 0.00 H new ATOM 1614 N VAL A 109 0.460 9.701 0.897 1.00 0.00 N ATOM 1615 CA VAL A 109 0.891 10.161 2.217 1.00 0.00 C ATOM 1616 C VAL A 109 1.571 9.088 3.058 1.00 0.00 C ATOM 1617 O VAL A 109 2.250 9.407 4.033 1.00 0.00 O ATOM 1618 CB VAL A 109 -0.290 10.683 3.018 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.155 11.754 4.002 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -1.392 11.200 2.106 1.00 0.00 C ATOM 0 H VAL A 109 -0.535 9.483 0.839 1.00 0.00 H new ATOM 0 HA VAL A 109 1.618 10.946 2.011 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.701 9.850 3.589 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.707 12.113 4.564 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.888 11.333 4.691 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.604 12.585 3.457 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.222 11.566 2.710 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -1.004 12.012 1.491 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.740 10.392 1.462 1.00 0.00 H new ATOM 1630 N ALA A 110 1.403 7.830 2.695 1.00 0.00 N ATOM 1631 CA ALA A 110 2.028 6.748 3.449 1.00 0.00 C ATOM 1632 C ALA A 110 3.524 6.708 3.195 1.00 0.00 C ATOM 1633 O ALA A 110 4.304 6.348 4.076 1.00 0.00 O ATOM 1634 CB ALA A 110 1.387 5.413 3.104 1.00 0.00 C ATOM 0 H ALA A 110 0.847 7.530 1.894 1.00 0.00 H new ATOM 0 HA ALA A 110 1.870 6.938 4.511 1.00 0.00 H new ATOM 0 HB1 ALA A 110 1.867 4.620 3.677 1.00 0.00 H new ATOM 0 HB2 ALA A 110 0.325 5.445 3.349 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.508 5.216 2.039 1.00 0.00 H new ATOM 1640 N TRP A 111 3.921 7.108 1.997 1.00 0.00 N ATOM 1641 CA TRP A 111 5.330 7.144 1.654 1.00 0.00 C ATOM 1642 C TRP A 111 5.948 8.420 2.204 1.00 0.00 C ATOM 1643 O TRP A 111 7.105 8.431 2.623 1.00 0.00 O ATOM 1644 CB TRP A 111 5.542 7.045 0.140 1.00 0.00 C ATOM 1645 CG TRP A 111 6.986 6.932 -0.251 1.00 0.00 C ATOM 1646 CD1 TRP A 111 7.670 5.784 -0.531 1.00 0.00 C ATOM 1647 CD2 TRP A 111 7.925 8.006 -0.402 1.00 0.00 C ATOM 1648 NE1 TRP A 111 8.974 6.077 -0.849 1.00 0.00 N ATOM 1649 CE2 TRP A 111 9.156 7.433 -0.776 1.00 0.00 C ATOM 1650 CE3 TRP A 111 7.845 9.394 -0.259 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 10.294 8.201 -1.010 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 8.976 10.154 -0.490 1.00 0.00 C ATOM 1653 CH2 TRP A 111 10.187 9.556 -0.862 1.00 0.00 C ATOM 0 H TRP A 111 3.292 7.410 1.253 1.00 0.00 H new ATOM 0 HA TRP A 111 5.821 6.281 2.103 1.00 0.00 H new ATOM 0 HB2 TRP A 111 5.001 6.178 -0.240 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.111 7.924 -0.338 1.00 0.00 H new ATOM 0 HD1 TRP A 111 7.248 4.790 -0.506 1.00 0.00 H new ATOM 0 HE1 TRP A 111 9.691 5.395 -1.099 1.00 0.00 H new ATOM 0 HE3 TRP A 111 6.916 9.864 0.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 11.228 7.742 -1.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.925 11.227 -0.382 1.00 0.00 H new ATOM 0 HH2 TRP A 111 11.053 10.178 -1.035 1.00 0.00 H new ATOM 1664 N ARG A 112 5.163 9.497 2.227 1.00 0.00 N ATOM 1665 CA ARG A 112 5.629 10.769 2.756 1.00 0.00 C ATOM 1666 C ARG A 112 5.276 10.894 4.234 1.00 0.00 C ATOM 1667 O ARG A 112 4.766 11.924 4.677 1.00 0.00 O ATOM 1668 CB ARG A 112 5.000 11.919 1.988 1.00 0.00 C ATOM 1669 CG ARG A 112 5.714 12.252 0.688 1.00 0.00 C ATOM 1670 CD ARG A 112 6.918 13.149 0.927 1.00 0.00 C ATOM 1671 NE ARG A 112 6.537 14.429 1.518 1.00 0.00 N ATOM 1672 CZ ARG A 112 7.301 15.517 1.479 1.00 0.00 C ATOM 1673 NH1 ARG A 112 8.483 15.480 0.879 1.00 0.00 N ATOM 1674 NH2 ARG A 112 6.883 16.643 2.040 1.00 0.00 N ATOM 0 H ARG A 112 4.202 9.509 1.884 1.00 0.00 H new ATOM 0 HA ARG A 112 6.712 10.809 2.644 1.00 0.00 H new ATOM 0 HB2 ARG A 112 3.961 11.672 1.768 1.00 0.00 H new ATOM 0 HB3 ARG A 112 4.989 12.805 2.623 1.00 0.00 H new ATOM 0 HG2 ARG A 112 6.036 11.331 0.202 1.00 0.00 H new ATOM 0 HG3 ARG A 112 5.021 12.746 0.007 1.00 0.00 H new ATOM 0 HD2 ARG A 112 7.623 12.641 1.585 1.00 0.00 H new ATOM 0 HD3 ARG A 112 7.433 13.325 -0.018 1.00 0.00 H new ATOM 0 HE ARG A 112 5.634 14.492 1.987 1.00 0.00 H new ATOM 0 HH11 ARG A 112 8.808 14.616 0.446 1.00 0.00 H new ATOM 0 HH12 ARG A 112 9.067 16.316 0.851 1.00 0.00 H new ATOM 0 HH21 ARG A 112 5.974 16.676 2.502 1.00 0.00 H new ATOM 0 HH22 ARG A 112 7.470 17.477 2.009 1.00 0.00 H new ATOM 1688 N ASN A 113 5.559 9.848 4.989 1.00 0.00 N ATOM 1689 CA ASN A 113 5.282 9.841 6.419 1.00 0.00 C ATOM 1690 C ASN A 113 6.218 8.888 7.148 1.00 0.00 C ATOM 1691 O ASN A 113 6.951 9.287 8.054 1.00 0.00 O ATOM 1692 CB ASN A 113 3.828 9.444 6.678 1.00 0.00 C ATOM 1693 CG ASN A 113 2.979 10.617 7.127 1.00 0.00 C ATOM 1694 OD1 ASN A 113 3.424 11.458 7.908 1.00 0.00 O ATOM 1695 ND2 ASN A 113 1.746 10.678 6.634 1.00 0.00 N ATOM 0 H ASN A 113 5.982 8.989 4.637 1.00 0.00 H new ATOM 0 HA ASN A 113 5.448 10.849 6.800 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.403 9.019 5.769 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.797 8.664 7.439 1.00 0.00 H new ATOM 0 HD21 ASN A 113 1.127 11.444 6.901 1.00 0.00 H new ATOM 0 HD22 ASN A 113 1.418 9.959 5.989 1.00 0.00 H new ATOM 1702 N ARG A 114 6.176 7.623 6.754 1.00 0.00 N ATOM 1703 CA ARG A 114 7.006 6.600 7.374 1.00 0.00 C ATOM 1704 C ARG A 114 8.042 6.043 6.404 1.00 0.00 C ATOM 1705 O ARG A 114 8.771 5.108 6.737 1.00 0.00 O ATOM 1706 CB ARG A 114 6.126 5.468 7.891 1.00 0.00 C ATOM 1707 CG ARG A 114 5.670 5.654 9.329 1.00 0.00 C ATOM 1708 CD ARG A 114 4.162 5.834 9.417 1.00 0.00 C ATOM 1709 NE ARG A 114 3.751 6.377 10.708 1.00 0.00 N ATOM 1710 CZ ARG A 114 3.540 5.630 11.788 1.00 0.00 C ATOM 1711 NH1 ARG A 114 3.700 4.315 11.731 1.00 0.00 N ATOM 1712 NH2 ARG A 114 3.168 6.199 12.926 1.00 0.00 N ATOM 0 H ARG A 114 5.574 7.280 6.005 1.00 0.00 H new ATOM 0 HA ARG A 114 7.542 7.064 8.202 1.00 0.00 H new ATOM 0 HB2 ARG A 114 5.249 5.380 7.250 1.00 0.00 H new ATOM 0 HB3 ARG A 114 6.674 4.529 7.812 1.00 0.00 H new ATOM 0 HG2 ARG A 114 5.969 4.789 9.921 1.00 0.00 H new ATOM 0 HG3 ARG A 114 6.167 6.523 9.760 1.00 0.00 H new ATOM 0 HD2 ARG A 114 3.829 6.500 8.621 1.00 0.00 H new ATOM 0 HD3 ARG A 114 3.672 4.874 9.255 1.00 0.00 H new ATOM 0 HE ARG A 114 3.618 7.385 10.786 1.00 0.00 H new ATOM 0 HH11 ARG A 114 3.986 3.873 10.857 1.00 0.00 H new ATOM 0 HH12 ARG A 114 3.537 3.745 12.561 1.00 0.00 H new ATOM 0 HH21 ARG A 114 3.043 7.210 12.974 1.00 0.00 H new ATOM 0 HH22 ARG A 114 3.006 5.626 13.754 1.00 0.00 H new ATOM 1726 N CYS A 115 8.102 6.607 5.203 1.00 0.00 N ATOM 1727 CA CYS A 115 9.050 6.141 4.197 1.00 0.00 C ATOM 1728 C CYS A 115 10.116 7.189 3.897 1.00 0.00 C ATOM 1729 O CYS A 115 11.309 6.886 3.890 1.00 0.00 O ATOM 1730 CB CYS A 115 8.314 5.761 2.914 1.00 0.00 C ATOM 1731 SG CYS A 115 7.451 4.162 3.007 1.00 0.00 S ATOM 0 H CYS A 115 7.510 7.382 4.903 1.00 0.00 H new ATOM 0 HA CYS A 115 9.552 5.261 4.600 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.590 6.541 2.677 1.00 0.00 H new ATOM 0 HB3 CYS A 115 9.029 5.730 2.092 1.00 0.00 H new ATOM 1736 N LYS A 116 9.683 8.419 3.641 1.00 0.00 N ATOM 1737 CA LYS A 116 10.607 9.504 3.332 1.00 0.00 C ATOM 1738 C LYS A 116 11.546 9.773 4.502 1.00 0.00 C ATOM 1739 O LYS A 116 11.247 10.586 5.377 1.00 0.00 O ATOM 1740 CB LYS A 116 9.832 10.776 2.982 1.00 0.00 C ATOM 1741 CG LYS A 116 10.667 11.815 2.252 1.00 0.00 C ATOM 1742 CD LYS A 116 10.710 13.130 3.013 1.00 0.00 C ATOM 1743 CE LYS A 116 12.050 13.828 2.844 1.00 0.00 C ATOM 1744 NZ LYS A 116 13.067 13.318 3.804 1.00 0.00 N ATOM 0 H LYS A 116 8.699 8.689 3.641 1.00 0.00 H new ATOM 0 HA LYS A 116 11.206 9.202 2.473 1.00 0.00 H new ATOM 0 HB2 LYS A 116 8.975 10.511 2.363 1.00 0.00 H new ATOM 0 HB3 LYS A 116 9.439 11.216 3.899 1.00 0.00 H new ATOM 0 HG2 LYS A 116 11.681 11.439 2.116 1.00 0.00 H new ATOM 0 HG3 LYS A 116 10.253 11.982 1.257 1.00 0.00 H new ATOM 0 HD2 LYS A 116 9.912 13.782 2.659 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.526 12.945 4.071 1.00 0.00 H new ATOM 0 HE2 LYS A 116 12.408 13.684 1.825 1.00 0.00 H new ATOM 0 HE3 LYS A 116 11.921 14.901 2.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 13.966 13.819 3.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 12.737 13.479 4.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 13.209 12.299 3.650 1.00 0.00 H new ATOM 1758 N GLY A 117 12.686 9.089 4.509 1.00 0.00 N ATOM 1759 CA GLY A 117 13.652 9.276 5.574 1.00 0.00 C ATOM 1760 C GLY A 117 14.216 7.969 6.099 1.00 0.00 C ATOM 1761 O GLY A 117 14.967 7.963 7.075 1.00 0.00 O ATOM 0 H GLY A 117 12.957 8.410 3.797 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.470 9.898 5.210 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.180 9.817 6.394 1.00 0.00 H new ATOM 1765 N THR A 118 13.859 6.859 5.458 1.00 0.00 N ATOM 1766 CA THR A 118 14.344 5.548 5.877 1.00 0.00 C ATOM 1767 C THR A 118 15.179 4.898 4.776 1.00 0.00 C ATOM 1768 O THR A 118 15.836 5.590 3.996 1.00 0.00 O ATOM 1769 CB THR A 118 13.176 4.614 6.250 1.00 0.00 C ATOM 1770 OG1 THR A 118 12.250 4.527 5.160 1.00 0.00 O ATOM 1771 CG2 THR A 118 12.458 5.118 7.493 1.00 0.00 C ATOM 0 H THR A 118 13.238 6.841 4.649 1.00 0.00 H new ATOM 0 HA THR A 118 14.968 5.701 6.757 1.00 0.00 H new ATOM 0 HB THR A 118 13.583 3.625 6.460 1.00 0.00 H new ATOM 0 HG1 THR A 118 11.921 5.423 4.938 1.00 0.00 H new ATOM 0 HG21 THR A 118 11.637 4.444 7.738 1.00 0.00 H new ATOM 0 HG22 THR A 118 13.158 5.156 8.328 1.00 0.00 H new ATOM 0 HG23 THR A 118 12.063 6.117 7.305 1.00 0.00 H new ATOM 1779 N ASP A 119 15.157 3.567 4.714 1.00 0.00 N ATOM 1780 CA ASP A 119 15.919 2.840 3.706 1.00 0.00 C ATOM 1781 C ASP A 119 15.060 1.812 2.979 1.00 0.00 C ATOM 1782 O ASP A 119 14.843 0.704 3.472 1.00 0.00 O ATOM 1783 CB ASP A 119 17.112 2.163 4.334 1.00 0.00 C ATOM 1784 CG ASP A 119 18.281 2.036 3.376 1.00 0.00 C ATOM 1785 OD1 ASP A 119 18.782 3.081 2.910 1.00 0.00 O ATOM 1786 OD2 ASP A 119 18.695 0.892 3.093 1.00 0.00 O ATOM 0 H ASP A 119 14.621 2.974 5.348 1.00 0.00 H new ATOM 0 HA ASP A 119 16.263 3.568 2.971 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.426 2.728 5.212 1.00 0.00 H new ATOM 0 HB3 ASP A 119 16.822 1.171 4.681 1.00 0.00 H new ATOM 1791 N VAL A 120 14.581 2.190 1.801 1.00 0.00 N ATOM 1792 CA VAL A 120 13.750 1.318 0.986 1.00 0.00 C ATOM 1793 C VAL A 120 14.577 0.188 0.392 1.00 0.00 C ATOM 1794 O VAL A 120 14.098 -0.938 0.252 1.00 0.00 O ATOM 1795 CB VAL A 120 13.066 2.098 -0.154 1.00 0.00 C ATOM 1796 CG1 VAL A 120 12.081 3.111 0.410 1.00 0.00 C ATOM 1797 CG2 VAL A 120 14.102 2.785 -1.030 1.00 0.00 C ATOM 0 H VAL A 120 14.757 3.105 1.386 1.00 0.00 H new ATOM 0 HA VAL A 120 12.982 0.903 1.638 1.00 0.00 H new ATOM 0 HB VAL A 120 12.513 1.390 -0.772 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.607 3.653 -0.409 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.319 2.592 0.991 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.611 3.815 1.052 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.599 3.330 -1.829 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.685 3.481 -0.427 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.766 2.037 -1.463 1.00 0.00 H new ATOM 1807 N GLN A 121 15.828 0.491 0.056 1.00 0.00 N ATOM 1808 CA GLN A 121 16.725 -0.508 -0.504 1.00 0.00 C ATOM 1809 C GLN A 121 16.882 -1.658 0.479 1.00 0.00 C ATOM 1810 O GLN A 121 17.220 -2.779 0.100 1.00 0.00 O ATOM 1811 CB GLN A 121 18.091 0.110 -0.816 1.00 0.00 C ATOM 1812 CG GLN A 121 18.062 1.097 -1.973 1.00 0.00 C ATOM 1813 CD GLN A 121 19.219 2.076 -1.932 1.00 0.00 C ATOM 1814 OE1 GLN A 121 19.463 2.724 -0.913 1.00 0.00 O ATOM 1815 NE2 GLN A 121 19.937 2.189 -3.042 1.00 0.00 N ATOM 0 H GLN A 121 16.240 1.418 0.162 1.00 0.00 H new ATOM 0 HA GLN A 121 16.299 -0.884 -1.434 1.00 0.00 H new ATOM 0 HB2 GLN A 121 18.463 0.617 0.074 1.00 0.00 H new ATOM 0 HB3 GLN A 121 18.797 -0.687 -1.047 1.00 0.00 H new ATOM 0 HG2 GLN A 121 18.088 0.549 -2.915 1.00 0.00 H new ATOM 0 HG3 GLN A 121 17.122 1.649 -1.952 1.00 0.00 H new ATOM 0 HE21 GLN A 121 19.698 1.632 -3.863 1.00 0.00 H new ATOM 0 HE22 GLN A 121 20.728 2.833 -3.075 1.00 0.00 H new ATOM 1824 N ALA A 122 16.615 -1.362 1.746 1.00 0.00 N ATOM 1825 CA ALA A 122 16.702 -2.356 2.803 1.00 0.00 C ATOM 1826 C ALA A 122 15.364 -3.060 2.985 1.00 0.00 C ATOM 1827 O ALA A 122 15.307 -4.181 3.493 1.00 0.00 O ATOM 1828 CB ALA A 122 17.144 -1.707 4.106 1.00 0.00 C ATOM 0 H ALA A 122 16.335 -0.435 2.065 1.00 0.00 H new ATOM 0 HA ALA A 122 17.446 -3.100 2.517 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.204 -2.464 4.888 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.123 -1.247 3.970 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.422 -0.944 4.396 1.00 0.00 H new ATOM 1834 N TRP A 123 14.284 -2.398 2.565 1.00 0.00 N ATOM 1835 CA TRP A 123 12.945 -2.974 2.682 1.00 0.00 C ATOM 1836 C TRP A 123 12.837 -4.282 1.901 1.00 0.00 C ATOM 1837 O TRP A 123 11.926 -5.078 2.129 1.00 0.00 O ATOM 1838 CB TRP A 123 11.890 -1.983 2.188 1.00 0.00 C ATOM 1839 CG TRP A 123 11.361 -1.089 3.267 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.280 0.273 3.234 1.00 0.00 C ATOM 1841 CD2 TRP A 123 10.838 -1.490 4.540 1.00 0.00 C ATOM 1842 NE1 TRP A 123 10.742 0.738 4.409 1.00 0.00 N ATOM 1843 CE2 TRP A 123 10.464 -0.329 5.222 1.00 0.00 C ATOM 1844 CE3 TRP A 123 10.649 -2.719 5.169 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 9.914 -0.368 6.496 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 10.105 -2.755 6.433 1.00 0.00 C ATOM 1847 CH2 TRP A 123 9.741 -1.584 7.086 1.00 0.00 C ATOM 0 H TRP A 123 14.310 -1.469 2.144 1.00 0.00 H new ATOM 0 HA TRP A 123 12.766 -3.188 3.736 1.00 0.00 H new ATOM 0 HB2 TRP A 123 12.321 -1.369 1.397 1.00 0.00 H new ATOM 0 HB3 TRP A 123 11.061 -2.536 1.746 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.593 0.893 2.407 1.00 0.00 H new ATOM 0 HE1 TRP A 123 10.576 1.718 4.639 1.00 0.00 H new ATOM 0 HE3 TRP A 123 10.927 -3.635 4.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 9.631 0.541 7.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 9.959 -3.706 6.924 1.00 0.00 H new ATOM 0 HH2 TRP A 123 9.314 -1.638 8.077 1.00 0.00 H new ATOM 1858 N ILE A 124 13.775 -4.501 0.984 1.00 0.00 N ATOM 1859 CA ILE A 124 13.788 -5.715 0.174 1.00 0.00 C ATOM 1860 C ILE A 124 15.124 -6.440 0.307 1.00 0.00 C ATOM 1861 O ILE A 124 15.425 -7.357 -0.457 1.00 0.00 O ATOM 1862 CB ILE A 124 13.523 -5.412 -1.312 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.363 -4.219 -1.771 1.00 0.00 C ATOM 1864 CG2 ILE A 124 12.042 -5.149 -1.543 1.00 0.00 C ATOM 1865 CD1 ILE A 124 15.072 -4.451 -3.088 1.00 0.00 C ATOM 0 H ILE A 124 14.537 -3.853 0.783 1.00 0.00 H new ATOM 0 HA ILE A 124 12.987 -6.353 0.547 1.00 0.00 H new ATOM 0 HB ILE A 124 13.813 -6.281 -1.902 1.00 0.00 H new ATOM 0 HG12 ILE A 124 13.718 -3.345 -1.864 1.00 0.00 H new ATOM 0 HG13 ILE A 124 15.103 -3.989 -1.004 1.00 0.00 H new ATOM 0 HG21 ILE A 124 11.870 -4.936 -2.598 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.467 -6.028 -1.252 1.00 0.00 H new ATOM 0 HG23 ILE A 124 11.727 -4.294 -0.945 1.00 0.00 H new ATOM 0 HD11 ILE A 124 15.648 -3.564 -3.352 1.00 0.00 H new ATOM 0 HD12 ILE A 124 15.743 -5.305 -2.995 1.00 0.00 H new ATOM 0 HD13 ILE A 124 14.336 -4.651 -3.867 1.00 0.00 H new ATOM 1877 N ARG A 125 15.918 -6.015 1.283 1.00 0.00 N ATOM 1878 CA ARG A 125 17.225 -6.612 1.527 1.00 0.00 C ATOM 1879 C ARG A 125 17.083 -8.049 2.023 1.00 0.00 C ATOM 1880 O ARG A 125 16.995 -8.294 3.227 1.00 0.00 O ATOM 1881 CB ARG A 125 18.006 -5.782 2.548 1.00 0.00 C ATOM 1882 CG ARG A 125 19.510 -5.813 2.334 1.00 0.00 C ATOM 1883 CD ARG A 125 20.246 -5.088 3.448 1.00 0.00 C ATOM 1884 NE ARG A 125 20.609 -3.725 3.069 1.00 0.00 N ATOM 1885 CZ ARG A 125 21.672 -3.424 2.329 1.00 0.00 C ATOM 1886 NH1 ARG A 125 22.475 -4.385 1.892 1.00 0.00 N ATOM 1887 NH2 ARG A 125 21.934 -2.160 2.026 1.00 0.00 N ATOM 0 H ARG A 125 15.678 -5.256 1.921 1.00 0.00 H new ATOM 0 HA ARG A 125 17.773 -6.624 0.585 1.00 0.00 H new ATOM 0 HB2 ARG A 125 17.662 -4.749 2.503 1.00 0.00 H new ATOM 0 HB3 ARG A 125 17.782 -6.149 3.550 1.00 0.00 H new ATOM 0 HG2 ARG A 125 19.850 -6.847 2.285 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.752 -5.352 1.376 1.00 0.00 H new ATOM 0 HD2 ARG A 125 19.619 -5.061 4.339 1.00 0.00 H new ATOM 0 HD3 ARG A 125 21.147 -5.644 3.709 1.00 0.00 H new ATOM 0 HE ARG A 125 20.014 -2.961 3.390 1.00 0.00 H new ATOM 0 HH11 ARG A 125 22.278 -5.359 2.123 1.00 0.00 H new ATOM 0 HH12 ARG A 125 23.289 -4.150 1.325 1.00 0.00 H new ATOM 0 HH21 ARG A 125 21.320 -1.418 2.361 1.00 0.00 H new ATOM 0 HH22 ARG A 125 22.750 -1.930 1.458 1.00 0.00 H new ATOM 1901 N GLY A 126 17.064 -8.995 1.088 1.00 0.00 N ATOM 1902 CA GLY A 126 16.935 -10.394 1.450 1.00 0.00 C ATOM 1903 C GLY A 126 15.849 -11.102 0.663 1.00 0.00 C ATOM 1904 O GLY A 126 15.715 -12.324 0.739 1.00 0.00 O ATOM 0 H GLY A 126 17.136 -8.817 0.086 1.00 0.00 H new ATOM 0 HA2 GLY A 126 17.887 -10.898 1.283 1.00 0.00 H new ATOM 0 HA3 GLY A 126 16.716 -10.471 2.515 1.00 0.00 H new ATOM 1908 N CYS A 127 15.070 -10.334 -0.093 1.00 0.00 N ATOM 1909 CA CYS A 127 13.991 -10.890 -0.894 1.00 0.00 C ATOM 1910 C CYS A 127 14.530 -11.754 -2.029 1.00 0.00 C ATOM 1911 O CYS A 127 15.733 -12.002 -2.115 1.00 0.00 O ATOM 1912 CB CYS A 127 13.128 -9.774 -1.445 1.00 0.00 C ATOM 1913 SG CYS A 127 11.730 -9.316 -0.370 1.00 0.00 S ATOM 0 H CYS A 127 15.169 -9.321 -0.166 1.00 0.00 H new ATOM 0 HA CYS A 127 13.384 -11.528 -0.251 1.00 0.00 H new ATOM 0 HB2 CYS A 127 13.751 -8.894 -1.608 1.00 0.00 H new ATOM 0 HB3 CYS A 127 12.741 -10.075 -2.418 1.00 0.00 H new ATOM 1918 N ARG A 128 13.633 -12.212 -2.896 1.00 0.00 N ATOM 1919 CA ARG A 128 14.021 -13.051 -4.024 1.00 0.00 C ATOM 1920 C ARG A 128 13.361 -12.576 -5.315 1.00 0.00 C ATOM 1921 O ARG A 128 12.304 -13.073 -5.704 1.00 0.00 O ATOM 1922 CB ARG A 128 13.647 -14.509 -3.753 1.00 0.00 C ATOM 1923 CG ARG A 128 14.823 -15.369 -3.320 1.00 0.00 C ATOM 1924 CD ARG A 128 14.910 -15.471 -1.806 1.00 0.00 C ATOM 1925 NE ARG A 128 14.187 -16.633 -1.293 1.00 0.00 N ATOM 1926 CZ ARG A 128 13.729 -16.726 -0.048 1.00 0.00 C ATOM 1927 NH1 ARG A 128 13.919 -15.731 0.808 1.00 0.00 N ATOM 1928 NH2 ARG A 128 13.082 -17.815 0.341 1.00 0.00 N ATOM 0 H ARG A 128 12.634 -12.017 -2.839 1.00 0.00 H new ATOM 0 HA ARG A 128 15.102 -12.975 -4.144 1.00 0.00 H new ATOM 0 HB2 ARG A 128 12.880 -14.541 -2.979 1.00 0.00 H new ATOM 0 HB3 ARG A 128 13.208 -14.936 -4.655 1.00 0.00 H new ATOM 0 HG2 ARG A 128 14.723 -16.366 -3.748 1.00 0.00 H new ATOM 0 HG3 ARG A 128 15.748 -14.946 -3.711 1.00 0.00 H new ATOM 0 HD2 ARG A 128 15.956 -15.534 -1.506 1.00 0.00 H new ATOM 0 HD3 ARG A 128 14.504 -14.564 -1.358 1.00 0.00 H new ATOM 0 HE ARG A 128 14.025 -17.417 -1.925 1.00 0.00 H new ATOM 0 HH11 ARG A 128 14.417 -14.892 0.512 1.00 0.00 H new ATOM 0 HH12 ARG A 128 13.567 -15.805 1.762 1.00 0.00 H new ATOM 0 HH21 ARG A 128 12.935 -18.582 -0.315 1.00 0.00 H new ATOM 0 HH22 ARG A 128 12.731 -17.886 1.296 1.00 0.00 H new ATOM 1942 N LEU A 129 13.992 -11.609 -5.975 1.00 0.00 N ATOM 1943 CA LEU A 129 13.468 -11.066 -7.224 1.00 0.00 C ATOM 1944 C LEU A 129 14.567 -10.362 -8.013 1.00 0.00 C ATOM 1945 O LEU A 129 15.313 -9.566 -7.406 1.00 0.00 O ATOM 1946 CB LEU A 129 12.322 -10.093 -6.941 1.00 0.00 C ATOM 1947 CG LEU A 129 12.514 -9.205 -5.711 1.00 0.00 C ATOM 1948 CD1 LEU A 129 12.296 -7.743 -6.068 1.00 0.00 C ATOM 1949 CD2 LEU A 129 11.569 -9.631 -4.597 1.00 0.00 C ATOM 1950 OXT LEU A 129 14.671 -10.613 -9.233 1.00 0.00 O ATOM 0 H LEU A 129 14.867 -11.185 -5.666 1.00 0.00 H new ATOM 0 HA LEU A 129 13.090 -11.895 -7.822 1.00 0.00 H new ATOM 0 HB2 LEU A 129 12.185 -9.454 -7.813 1.00 0.00 H new ATOM 0 HB3 LEU A 129 11.403 -10.665 -6.817 1.00 0.00 H new ATOM 0 HG LEU A 129 13.539 -9.321 -5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 129 12.437 -7.127 -5.180 1.00 0.00 H new ATOM 0 HD12 LEU A 129 13.012 -7.445 -6.834 1.00 0.00 H new ATOM 0 HD13 LEU A 129 11.283 -7.608 -6.446 1.00 0.00 H new ATOM 0 HD21 LEU A 129 11.718 -8.989 -3.728 1.00 0.00 H new ATOM 0 HD22 LEU A 129 10.538 -9.543 -4.941 1.00 0.00 H new ATOM 0 HD23 LEU A 129 11.773 -10.666 -4.323 1.00 0.00 H new TER 1962 LEU A 129