USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 879 hydrogens (32 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 105 HECFE :(H bumps) USER MOD NoAdj-H: A 105 HEC HAC : A 105 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 105 HEC HAB : A 105 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 52 ASN : amide:sc= -1.52 K(o=2.4,f=1.8!) USER MOD Set 1.2: A 67 TYR OH : rot -127:sc= 1.34 USER MOD Set 1.3: A 78 THR OG1 : rot 158:sc= 1.05 USER MOD Set 1.4: A 105 HEC O2D : rot -92:sc= 1.48 USER MOD Set 2.1: A 40 THR OG1 : rot -120:sc= 1.08 USER MOD Set 2.2: A 48 TYR OH : rot -138:sc= 1.16 USER MOD Set 2.3: A 105 HEC O2A : rot -93:sc= 0.258 USER MOD Single : A 1 GLY N :NH3+ 143:sc= 0.673 (180deg=-0.406) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 13 LYS NZ :NH3+ 149:sc= 0.6 (180deg=-0.93!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot -24:sc= 1.11 USER MOD Single : A 22 LYS NZ :NH3+ 159:sc= -0.169 (180deg=-0.825) USER MOD Single : A 25 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00994) USER MOD Single : A 26 HIS : no HD1:sc= -0.213 X(o=-0.21,f=-0.19) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0.253 K(o=0.25,f=-1.8) USER MOD Single : A 33 HIS : no HE2:sc= 0.971 K(o=0.97,f=-4.4!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 47 THR OG1 : rot -51:sc= 0.723 USER MOD Single : A 49 THR OG1 : rot 179:sc= 1.28 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.0333 X(o=-0.033,f=-0.033) USER MOD Single : A 55 LYS NZ :NH3+ -143:sc= -0.321 (180deg=-2.26!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0008 USER MOD Single : A 60 LYS NZ :NH3+ 163:sc= 1.06 (180deg=0.972) USER MOD Single : A 63 THR OG1 : rot 90:sc= 0.631 USER MOD Single : A 65 MET CE :methyl 146:sc= -0.0299 (180deg=-0.615) USER MOD Single : A 70 ASN : amide:sc= -0.164 K(o=-0.16,f=-1.1) USER MOD Single : A 72 LYS NZ :NH3+ 155:sc=-0.00351 (180deg=-0.836) USER MOD Single : A 73 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00989) USER MOD Single : A 74 TYR OH : rot 15:sc= -0.507 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 173:sc= -0.486 (180deg=-0.522) USER MOD Single : A 86 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0323) USER MOD Single : A 87 LYS NZ :NH3+ 163:sc= -0.232 (180deg=-0.372) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.115 USER MOD Single : A 97 TYR OH : rot 168:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -133:sc= 1.1 (180deg=0.128) USER MOD Single : A 100 LYS NZ :NH3+ -156:sc= 1.09 (180deg=-1.02) USER MOD Single : A 102 THR OG1 : rot 84:sc= 1.13 USER MOD Single : A 103 ASN : amide:sc= -0.162 K(o=-0.16,f=-0.76) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.839 9.841 5.336 1.00 0.00 N ATOM 2 CA GLY A 1 -10.730 9.795 4.375 1.00 0.00 C ATOM 3 C GLY A 1 -10.040 11.149 4.304 1.00 0.00 C ATOM 4 O GLY A 1 -10.064 11.815 3.273 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.629 9.265 4.982 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.520 9.466 6.252 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.154 10.825 5.455 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.014 9.029 4.672 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.104 9.517 3.390 1.00 0.00 H new ATOM 10 N ASP A 2 -9.478 11.565 5.439 1.00 0.00 N ATOM 11 CA ASP A 2 -8.721 12.797 5.584 1.00 0.00 C ATOM 12 C ASP A 2 -7.236 12.516 5.327 1.00 0.00 C ATOM 13 O ASP A 2 -6.752 11.403 5.528 1.00 0.00 O ATOM 14 CB ASP A 2 -8.980 13.396 6.972 1.00 0.00 C ATOM 15 CG ASP A 2 -7.897 14.379 7.388 1.00 0.00 C ATOM 16 OD1 ASP A 2 -7.513 15.232 6.558 1.00 0.00 O ATOM 17 OD2 ASP A 2 -7.390 14.191 8.509 1.00 0.00 O ATOM 0 H ASP A 2 -9.542 11.033 6.307 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.042 13.535 4.849 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -9.946 13.901 6.973 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -9.040 12.593 7.706 1.00 0.00 H new ATOM 22 N VAL A 3 -6.519 13.542 4.877 1.00 0.00 N ATOM 23 CA VAL A 3 -5.109 13.487 4.551 1.00 0.00 C ATOM 24 C VAL A 3 -4.277 13.448 5.828 1.00 0.00 C ATOM 25 O VAL A 3 -3.331 12.665 5.913 1.00 0.00 O ATOM 26 CB VAL A 3 -4.737 14.685 3.656 1.00 0.00 C ATOM 27 CG1 VAL A 3 -3.252 14.655 3.266 1.00 0.00 C ATOM 28 CG2 VAL A 3 -5.582 14.701 2.374 1.00 0.00 C ATOM 0 H VAL A 3 -6.925 14.466 4.726 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.894 12.575 3.994 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.938 15.585 4.237 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.024 15.514 2.635 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.639 14.693 4.166 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.038 13.736 2.720 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.298 15.557 1.762 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.411 13.782 1.814 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.638 14.776 2.635 1.00 0.00 H new ATOM 38 N GLU A 4 -4.618 14.277 6.817 1.00 0.00 N ATOM 39 CA GLU A 4 -3.874 14.309 8.069 1.00 0.00 C ATOM 40 C GLU A 4 -4.045 12.965 8.765 1.00 0.00 C ATOM 41 O GLU A 4 -3.064 12.288 9.075 1.00 0.00 O ATOM 42 CB GLU A 4 -4.353 15.465 8.955 1.00 0.00 C ATOM 43 CG GLU A 4 -3.787 16.813 8.488 1.00 0.00 C ATOM 44 CD GLU A 4 -2.314 16.949 8.854 1.00 0.00 C ATOM 45 OE1 GLU A 4 -2.044 17.167 10.054 1.00 0.00 O ATOM 46 OE2 GLU A 4 -1.479 16.795 7.937 1.00 0.00 O ATOM 0 H GLU A 4 -5.400 14.930 6.772 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.816 14.479 7.871 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.442 15.505 8.944 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.051 15.282 9.986 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.906 16.906 7.409 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.354 17.625 8.943 1.00 0.00 H new ATOM 53 N LYS A 5 -5.298 12.554 8.971 1.00 0.00 N ATOM 54 CA LYS A 5 -5.578 11.263 9.570 1.00 0.00 C ATOM 55 C LYS A 5 -4.928 10.178 8.734 1.00 0.00 C ATOM 56 O LYS A 5 -4.285 9.308 9.300 1.00 0.00 O ATOM 57 CB LYS A 5 -7.077 10.984 9.693 1.00 0.00 C ATOM 58 CG LYS A 5 -7.732 11.839 10.778 1.00 0.00 C ATOM 59 CD LYS A 5 -9.137 11.298 11.058 1.00 0.00 C ATOM 60 CE LYS A 5 -9.890 12.279 11.965 1.00 0.00 C ATOM 61 NZ LYS A 5 -11.205 11.750 12.376 1.00 0.00 N ATOM 0 H LYS A 5 -6.126 13.099 8.731 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.169 11.272 10.580 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.562 11.179 8.736 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.232 9.929 9.920 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.132 11.817 11.688 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.786 12.879 10.456 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.679 11.162 10.122 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.074 10.320 11.535 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.290 12.488 12.851 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.027 13.225 11.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.682 12.443 12.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.787 11.574 11.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.074 10.860 12.898 1.00 0.00 H new ATOM 75 N GLY A 6 -5.060 10.219 7.407 1.00 0.00 N ATOM 76 CA GLY A 6 -4.488 9.170 6.578 1.00 0.00 C ATOM 77 C GLY A 6 -2.994 9.052 6.839 1.00 0.00 C ATOM 78 O GLY A 6 -2.513 7.992 7.234 1.00 0.00 O ATOM 0 H GLY A 6 -5.549 10.954 6.896 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.978 8.220 6.791 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.665 9.391 5.525 1.00 0.00 H new ATOM 82 N LYS A 7 -2.255 10.148 6.662 1.00 0.00 N ATOM 83 CA LYS A 7 -0.808 10.124 6.778 1.00 0.00 C ATOM 84 C LYS A 7 -0.342 9.773 8.185 1.00 0.00 C ATOM 85 O LYS A 7 0.672 9.096 8.361 1.00 0.00 O ATOM 86 CB LYS A 7 -0.193 11.370 6.132 1.00 0.00 C ATOM 87 CG LYS A 7 -0.137 12.570 7.055 1.00 0.00 C ATOM 88 CD LYS A 7 -0.089 13.864 6.223 1.00 0.00 C ATOM 89 CE LYS A 7 0.600 15.032 6.938 1.00 0.00 C ATOM 90 NZ LYS A 7 2.071 14.970 6.835 1.00 0.00 N ATOM 0 H LYS A 7 -2.643 11.064 6.437 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.408 9.295 6.194 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.817 11.134 5.796 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.771 11.631 5.245 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.009 12.579 7.709 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.742 12.506 7.697 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.433 13.664 5.287 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.107 14.157 5.965 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.249 15.972 6.513 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.312 15.031 7.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.488 15.781 7.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.412 14.086 7.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.350 14.999 5.834 1.00 0.00 H new ATOM 104 N LYS A 8 -1.114 10.190 9.187 1.00 0.00 N ATOM 105 CA LYS A 8 -0.776 9.972 10.577 1.00 0.00 C ATOM 106 C LYS A 8 -0.968 8.503 10.925 1.00 0.00 C ATOM 107 O LYS A 8 -0.085 7.876 11.507 1.00 0.00 O ATOM 108 CB LYS A 8 -1.674 10.879 11.434 1.00 0.00 C ATOM 109 CG LYS A 8 -1.591 10.694 12.958 1.00 0.00 C ATOM 110 CD LYS A 8 -0.440 11.461 13.621 1.00 0.00 C ATOM 111 CE LYS A 8 0.935 10.806 13.411 1.00 0.00 C ATOM 112 NZ LYS A 8 1.958 11.348 14.328 1.00 0.00 N ATOM 0 H LYS A 8 -1.993 10.689 9.049 1.00 0.00 H new ATOM 0 HA LYS A 8 0.268 10.220 10.770 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.429 11.916 11.204 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.708 10.720 11.128 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.532 11.016 13.404 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.480 9.632 13.179 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.414 12.476 13.224 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.636 11.541 14.690 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.849 9.730 13.561 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.255 10.960 12.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.868 10.877 14.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.060 12.371 14.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.667 11.178 15.312 1.00 0.00 H new ATOM 126 N ILE A 9 -2.144 7.976 10.602 1.00 0.00 N ATOM 127 CA ILE A 9 -2.584 6.655 10.995 1.00 0.00 C ATOM 128 C ILE A 9 -1.774 5.639 10.196 1.00 0.00 C ATOM 129 O ILE A 9 -1.329 4.622 10.726 1.00 0.00 O ATOM 130 CB ILE A 9 -4.094 6.577 10.737 1.00 0.00 C ATOM 131 CG1 ILE A 9 -4.851 7.455 11.754 1.00 0.00 C ATOM 132 CG2 ILE A 9 -4.585 5.137 10.827 1.00 0.00 C ATOM 133 CD1 ILE A 9 -6.354 7.535 11.467 1.00 0.00 C ATOM 0 H ILE A 9 -2.834 8.477 10.042 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.420 6.440 12.051 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.289 6.946 9.730 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.698 7.056 12.757 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.430 8.460 11.744 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.658 5.106 10.641 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.070 4.530 10.083 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.378 4.744 11.822 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.834 8.166 12.215 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.513 7.961 10.476 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.785 6.535 11.505 1.00 0.00 H new ATOM 145 N PHE A 10 -1.538 5.952 8.922 1.00 0.00 N ATOM 146 CA PHE A 10 -0.591 5.235 8.099 1.00 0.00 C ATOM 147 C PHE A 10 0.735 5.103 8.832 1.00 0.00 C ATOM 148 O PHE A 10 1.123 4.008 9.223 1.00 0.00 O ATOM 149 CB PHE A 10 -0.422 6.009 6.781 1.00 0.00 C ATOM 150 CG PHE A 10 0.705 5.542 5.895 1.00 0.00 C ATOM 151 CD1 PHE A 10 0.519 4.409 5.102 1.00 0.00 C ATOM 152 CD2 PHE A 10 1.988 6.098 6.011 1.00 0.00 C ATOM 153 CE1 PHE A 10 1.615 3.775 4.507 1.00 0.00 C ATOM 154 CE2 PHE A 10 3.094 5.447 5.457 1.00 0.00 C ATOM 155 CZ PHE A 10 2.907 4.279 4.701 1.00 0.00 C ATOM 0 H PHE A 10 -2.007 6.717 8.438 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.951 4.229 7.885 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.354 5.944 6.219 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.264 7.062 7.016 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.476 4.019 4.947 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.122 7.035 6.532 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.465 2.896 3.898 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.088 5.841 5.610 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.757 3.771 4.270 1.00 0.00 H new ATOM 165 N VAL A 11 1.438 6.210 9.063 1.00 0.00 N ATOM 166 CA VAL A 11 2.723 6.134 9.726 1.00 0.00 C ATOM 167 C VAL A 11 2.612 5.404 11.076 1.00 0.00 C ATOM 168 O VAL A 11 3.508 4.643 11.434 1.00 0.00 O ATOM 169 CB VAL A 11 3.355 7.539 9.782 1.00 0.00 C ATOM 170 CG1 VAL A 11 4.278 7.730 10.986 1.00 0.00 C ATOM 171 CG2 VAL A 11 4.108 7.902 8.490 1.00 0.00 C ATOM 0 H VAL A 11 1.141 7.151 8.804 1.00 0.00 H new ATOM 0 HA VAL A 11 3.415 5.518 9.152 1.00 0.00 H new ATOM 0 HB VAL A 11 2.511 8.220 9.891 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.692 8.738 10.970 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.711 7.585 11.906 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.089 7.003 10.941 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.533 8.901 8.585 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.909 7.182 8.321 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.417 7.880 7.648 1.00 0.00 H new ATOM 181 N GLN A 12 1.502 5.580 11.800 1.00 0.00 N ATOM 182 CA GLN A 12 1.251 4.860 13.039 1.00 0.00 C ATOM 183 C GLN A 12 1.275 3.331 12.857 1.00 0.00 C ATOM 184 O GLN A 12 1.768 2.648 13.752 1.00 0.00 O ATOM 185 CB GLN A 12 -0.067 5.340 13.664 1.00 0.00 C ATOM 186 CG GLN A 12 -0.197 4.946 15.140 1.00 0.00 C ATOM 187 CD GLN A 12 -1.533 5.394 15.729 1.00 0.00 C ATOM 188 OE1 GLN A 12 -2.521 5.549 15.019 1.00 0.00 O ATOM 189 NE2 GLN A 12 -1.582 5.613 17.040 1.00 0.00 N ATOM 0 H GLN A 12 0.757 6.226 11.539 1.00 0.00 H new ATOM 0 HA GLN A 12 2.068 5.086 13.725 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.134 6.424 13.574 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.904 4.921 13.105 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.101 3.865 15.238 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.619 5.392 15.709 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.748 5.478 17.611 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.454 5.916 17.474 1.00 0.00 H new ATOM 198 N LYS A 13 0.721 2.779 11.764 1.00 0.00 N ATOM 199 CA LYS A 13 0.576 1.326 11.627 1.00 0.00 C ATOM 200 C LYS A 13 0.817 0.773 10.211 1.00 0.00 C ATOM 201 O LYS A 13 0.299 -0.285 9.854 1.00 0.00 O ATOM 202 CB LYS A 13 -0.730 0.847 12.289 1.00 0.00 C ATOM 203 CG LYS A 13 -1.961 1.757 12.199 1.00 0.00 C ATOM 204 CD LYS A 13 -2.598 1.701 10.810 1.00 0.00 C ATOM 205 CE LYS A 13 -3.503 0.475 10.607 1.00 0.00 C ATOM 206 NZ LYS A 13 -4.828 0.612 11.257 1.00 0.00 N ATOM 0 H LYS A 13 0.370 3.315 10.970 1.00 0.00 H new ATOM 0 HA LYS A 13 1.402 0.879 12.180 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.993 -0.115 11.849 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.523 0.669 13.344 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.693 1.456 12.949 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.674 2.783 12.428 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.183 2.607 10.649 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.810 1.692 10.056 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.645 0.309 9.539 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.001 -0.408 11.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.540 0.088 10.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.783 0.227 12.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.093 1.617 11.297 1.00 0.00 H new ATOM 220 N CYS A 14 1.661 1.451 9.434 1.00 0.00 N ATOM 221 CA CYS A 14 2.131 1.017 8.125 1.00 0.00 C ATOM 222 C CYS A 14 3.638 1.290 8.029 1.00 0.00 C ATOM 223 O CYS A 14 4.397 0.412 7.635 1.00 0.00 O ATOM 224 CB CYS A 14 1.420 1.733 7.001 1.00 0.00 C ATOM 225 SG CYS A 14 -0.403 1.798 7.049 1.00 0.00 S ATOM 0 H CYS A 14 2.049 2.352 9.713 1.00 0.00 H new ATOM 0 HA CYS A 14 1.919 -0.047 8.022 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.791 2.758 6.970 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.713 1.259 6.064 1.00 0.00 H new ATOM 230 N ALA A 15 4.087 2.503 8.386 1.00 0.00 N ATOM 231 CA ALA A 15 5.464 2.964 8.172 1.00 0.00 C ATOM 232 C ALA A 15 6.555 2.045 8.699 1.00 0.00 C ATOM 233 O ALA A 15 7.614 1.988 8.080 1.00 0.00 O ATOM 234 CB ALA A 15 5.694 4.351 8.742 1.00 0.00 C ATOM 0 H ALA A 15 3.494 3.200 8.838 1.00 0.00 H new ATOM 0 HA ALA A 15 5.550 2.969 7.085 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.726 4.652 8.561 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.020 5.059 8.260 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.502 4.340 9.815 1.00 0.00 H new ATOM 240 N GLN A 16 6.333 1.359 9.823 1.00 0.00 N ATOM 241 CA GLN A 16 7.255 0.355 10.322 1.00 0.00 C ATOM 242 C GLN A 16 7.742 -0.555 9.190 1.00 0.00 C ATOM 243 O GLN A 16 8.916 -0.919 9.132 1.00 0.00 O ATOM 244 CB GLN A 16 6.546 -0.480 11.394 1.00 0.00 C ATOM 245 CG GLN A 16 7.596 -0.980 12.380 1.00 0.00 C ATOM 246 CD GLN A 16 7.109 -2.179 13.183 1.00 0.00 C ATOM 247 OE1 GLN A 16 6.743 -2.054 14.345 1.00 0.00 O ATOM 248 NE2 GLN A 16 7.109 -3.358 12.566 1.00 0.00 N ATOM 0 H GLN A 16 5.507 1.489 10.407 1.00 0.00 H new ATOM 0 HA GLN A 16 8.125 0.854 10.750 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.796 0.120 11.909 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.023 -1.320 10.937 1.00 0.00 H new ATOM 0 HG2 GLN A 16 8.501 -1.252 11.837 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.864 -0.173 13.062 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.420 -3.427 11.597 1.00 0.00 H new ATOM 0 HE22 GLN A 16 6.798 -4.193 13.062 1.00 0.00 H new ATOM 257 N CYS A 17 6.809 -0.919 8.311 1.00 0.00 N ATOM 258 CA CYS A 17 7.055 -1.687 7.112 1.00 0.00 C ATOM 259 C CYS A 17 7.338 -0.747 5.924 1.00 0.00 C ATOM 260 O CYS A 17 8.228 -1.041 5.136 1.00 0.00 O ATOM 261 CB CYS A 17 5.891 -2.622 6.875 1.00 0.00 C ATOM 262 SG CYS A 17 5.711 -3.844 8.228 1.00 0.00 S ATOM 0 H CYS A 17 5.826 -0.673 8.428 1.00 0.00 H new ATOM 0 HA CYS A 17 7.947 -2.303 7.227 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.972 -2.042 6.784 1.00 0.00 H new ATOM 0 HB3 CYS A 17 6.032 -3.145 5.929 1.00 0.00 H new ATOM 267 N HIS A 18 6.623 0.383 5.786 1.00 0.00 N ATOM 268 CA HIS A 18 6.643 1.232 4.592 1.00 0.00 C ATOM 269 C HIS A 18 6.951 2.696 4.905 1.00 0.00 C ATOM 270 O HIS A 18 6.055 3.534 4.850 1.00 0.00 O ATOM 271 CB HIS A 18 5.258 1.207 3.945 1.00 0.00 C ATOM 272 CG HIS A 18 4.840 -0.127 3.432 1.00 0.00 C ATOM 273 ND1 HIS A 18 5.148 -0.626 2.190 1.00 0.00 N ATOM 274 CD2 HIS A 18 3.799 -0.849 3.944 1.00 0.00 C ATOM 275 CE1 HIS A 18 4.308 -1.644 1.969 1.00 0.00 C ATOM 276 NE2 HIS A 18 3.478 -1.832 3.004 1.00 0.00 N ATOM 0 H HIS A 18 6.005 0.734 6.517 1.00 0.00 H new ATOM 0 HA HIS A 18 7.425 0.838 3.943 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.524 1.548 4.675 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.243 1.920 3.121 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.875 -0.287 1.560 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.315 -0.690 4.896 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.300 -2.240 1.068 1.00 0.00 H new ATOM 284 N THR A 19 8.193 3.064 5.199 1.00 0.00 N ATOM 285 CA THR A 19 8.489 4.443 5.566 1.00 0.00 C ATOM 286 C THR A 19 8.562 5.348 4.323 1.00 0.00 C ATOM 287 O THR A 19 9.651 5.747 3.918 1.00 0.00 O ATOM 288 CB THR A 19 9.782 4.465 6.386 1.00 0.00 C ATOM 289 OG1 THR A 19 9.826 3.399 7.313 1.00 0.00 O ATOM 290 CG2 THR A 19 9.982 5.798 7.113 1.00 0.00 C ATOM 0 H THR A 19 8.999 2.438 5.191 1.00 0.00 H new ATOM 0 HA THR A 19 7.683 4.846 6.179 1.00 0.00 H new ATOM 0 HB THR A 19 10.599 4.343 5.674 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.914 3.103 7.514 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.912 5.767 7.681 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.030 6.607 6.384 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.147 5.971 7.792 1.00 0.00 H new ATOM 298 N VAL A 20 7.419 5.638 3.689 1.00 0.00 N ATOM 299 CA VAL A 20 7.280 6.527 2.537 1.00 0.00 C ATOM 300 C VAL A 20 8.120 7.807 2.684 1.00 0.00 C ATOM 301 O VAL A 20 7.718 8.740 3.371 1.00 0.00 O ATOM 302 CB VAL A 20 5.788 6.828 2.256 1.00 0.00 C ATOM 303 CG1 VAL A 20 5.010 5.534 2.006 1.00 0.00 C ATOM 304 CG2 VAL A 20 5.065 7.596 3.372 1.00 0.00 C ATOM 0 H VAL A 20 6.527 5.239 3.981 1.00 0.00 H new ATOM 0 HA VAL A 20 7.680 6.008 1.666 1.00 0.00 H new ATOM 0 HB VAL A 20 5.806 7.468 1.374 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.964 5.770 1.811 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.432 5.016 1.145 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.079 4.892 2.884 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.026 7.761 3.086 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.100 7.016 4.294 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.555 8.557 3.529 1.00 0.00 H new ATOM 314 N GLU A 21 9.291 7.835 2.038 1.00 0.00 N ATOM 315 CA GLU A 21 10.169 8.998 1.939 1.00 0.00 C ATOM 316 C GLU A 21 11.280 8.660 0.936 1.00 0.00 C ATOM 317 O GLU A 21 12.458 8.917 1.159 1.00 0.00 O ATOM 318 CB GLU A 21 10.717 9.420 3.320 1.00 0.00 C ATOM 319 CG GLU A 21 10.765 10.951 3.456 1.00 0.00 C ATOM 320 CD GLU A 21 11.705 11.627 2.457 1.00 0.00 C ATOM 321 OE1 GLU A 21 11.348 11.677 1.255 1.00 0.00 O ATOM 322 OE2 GLU A 21 12.767 12.098 2.919 1.00 0.00 O ATOM 0 H GLU A 21 9.663 7.018 1.554 1.00 0.00 H new ATOM 0 HA GLU A 21 9.613 9.864 1.580 1.00 0.00 H new ATOM 0 HB2 GLU A 21 10.089 9.002 4.107 1.00 0.00 H new ATOM 0 HB3 GLU A 21 11.717 9.009 3.458 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.760 11.351 3.323 1.00 0.00 H new ATOM 0 HG3 GLU A 21 11.079 11.208 4.468 1.00 0.00 H new ATOM 329 N LYS A 22 10.892 7.989 -0.157 1.00 0.00 N ATOM 330 CA LYS A 22 11.778 7.544 -1.226 1.00 0.00 C ATOM 331 C LYS A 22 13.088 6.934 -0.702 1.00 0.00 C ATOM 332 O LYS A 22 14.154 7.163 -1.270 1.00 0.00 O ATOM 333 CB LYS A 22 12.014 8.718 -2.185 1.00 0.00 C ATOM 334 CG LYS A 22 10.687 9.191 -2.801 1.00 0.00 C ATOM 335 CD LYS A 22 10.869 10.210 -3.936 1.00 0.00 C ATOM 336 CE LYS A 22 10.956 11.670 -3.458 1.00 0.00 C ATOM 337 NZ LYS A 22 12.103 11.932 -2.564 1.00 0.00 N ATOM 0 H LYS A 22 9.918 7.735 -0.321 1.00 0.00 H new ATOM 0 HA LYS A 22 11.297 6.730 -1.768 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.487 9.542 -1.650 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.701 8.416 -2.976 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.144 8.326 -3.183 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.070 9.635 -2.020 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.776 9.965 -4.489 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.036 10.115 -4.632 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.026 12.324 -4.327 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.034 11.929 -2.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.318 12.950 -2.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.867 11.628 -1.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.933 11.403 -2.900 1.00 0.00 H new ATOM 351 N GLY A 23 13.006 6.145 0.374 1.00 0.00 N ATOM 352 CA GLY A 23 14.187 5.626 1.048 1.00 0.00 C ATOM 353 C GLY A 23 13.832 5.023 2.403 1.00 0.00 C ATOM 354 O GLY A 23 14.475 5.317 3.406 1.00 0.00 O ATOM 0 H GLY A 23 12.124 5.853 0.795 1.00 0.00 H new ATOM 0 HA2 GLY A 23 14.661 4.869 0.424 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.913 6.428 1.183 1.00 0.00 H new ATOM 358 N GLY A 24 12.807 4.166 2.424 1.00 0.00 N ATOM 359 CA GLY A 24 12.452 3.387 3.598 1.00 0.00 C ATOM 360 C GLY A 24 13.175 2.044 3.566 1.00 0.00 C ATOM 361 O GLY A 24 14.332 1.966 3.156 1.00 0.00 O ATOM 0 H GLY A 24 12.202 3.997 1.620 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.720 3.933 4.503 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.374 3.229 3.629 1.00 0.00 H new ATOM 365 N LYS A 25 12.486 0.979 3.981 1.00 0.00 N ATOM 366 CA LYS A 25 13.069 -0.336 4.179 1.00 0.00 C ATOM 367 C LYS A 25 12.168 -1.364 3.503 1.00 0.00 C ATOM 368 O LYS A 25 11.040 -1.560 3.933 1.00 0.00 O ATOM 369 CB LYS A 25 13.220 -0.545 5.692 1.00 0.00 C ATOM 370 CG LYS A 25 13.937 -1.836 6.105 1.00 0.00 C ATOM 371 CD LYS A 25 12.938 -2.974 6.367 1.00 0.00 C ATOM 372 CE LYS A 25 13.639 -4.297 6.705 1.00 0.00 C ATOM 373 NZ LYS A 25 14.367 -4.232 7.989 1.00 0.00 N ATOM 0 H LYS A 25 11.488 1.014 4.191 1.00 0.00 H new ATOM 0 HA LYS A 25 14.057 -0.441 3.730 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.765 0.303 6.107 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.228 -0.539 6.144 1.00 0.00 H new ATOM 0 HG2 LYS A 25 14.633 -2.134 5.321 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.528 -1.655 7.003 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.279 -2.694 7.189 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.309 -3.113 5.487 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.900 -5.097 6.749 1.00 0.00 H new ATOM 0 HE3 LYS A 25 14.336 -4.551 5.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.782 -5.162 8.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 15.124 -3.522 7.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.708 -3.966 8.749 1.00 0.00 H new ATOM 387 N HIS A 26 12.668 -1.993 2.435 1.00 0.00 N ATOM 388 CA HIS A 26 11.903 -2.899 1.584 1.00 0.00 C ATOM 389 C HIS A 26 11.834 -4.301 2.221 1.00 0.00 C ATOM 390 O HIS A 26 11.836 -4.419 3.445 1.00 0.00 O ATOM 391 CB HIS A 26 12.510 -2.906 0.171 1.00 0.00 C ATOM 392 CG HIS A 26 12.751 -1.524 -0.396 1.00 0.00 C ATOM 393 ND1 HIS A 26 13.850 -0.725 -0.160 1.00 0.00 N ATOM 394 CD2 HIS A 26 11.900 -0.815 -1.203 1.00 0.00 C ATOM 395 CE1 HIS A 26 13.644 0.446 -0.786 1.00 0.00 C ATOM 396 NE2 HIS A 26 12.465 0.441 -1.428 1.00 0.00 N ATOM 0 H HIS A 26 13.636 -1.882 2.135 1.00 0.00 H new ATOM 0 HA HIS A 26 10.873 -2.553 1.493 1.00 0.00 H new ATOM 0 HB2 HIS A 26 13.455 -3.449 0.194 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.845 -3.452 -0.498 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.957 -1.167 -1.596 1.00 0.00 H new ATOM 0 HE1 HIS A 26 14.333 1.278 -0.774 1.00 0.00 H new ATOM 0 HE2 HIS A 26 12.062 1.204 -1.972 1.00 0.00 H new ATOM 404 N LYS A 27 11.800 -5.372 1.411 1.00 0.00 N ATOM 405 CA LYS A 27 11.733 -6.775 1.835 1.00 0.00 C ATOM 406 C LYS A 27 10.379 -7.119 2.457 1.00 0.00 C ATOM 407 O LYS A 27 9.661 -7.969 1.936 1.00 0.00 O ATOM 408 CB LYS A 27 12.912 -7.178 2.746 1.00 0.00 C ATOM 409 CG LYS A 27 14.144 -7.567 1.921 1.00 0.00 C ATOM 410 CD LYS A 27 15.405 -7.564 2.796 1.00 0.00 C ATOM 411 CE LYS A 27 16.580 -8.199 2.037 1.00 0.00 C ATOM 412 NZ LYS A 27 17.876 -7.985 2.718 1.00 0.00 N ATOM 0 H LYS A 27 11.820 -5.276 0.396 1.00 0.00 H new ATOM 0 HA LYS A 27 11.830 -7.376 0.931 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.162 -6.350 3.409 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.616 -8.015 3.379 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.999 -8.556 1.486 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.268 -6.870 1.093 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.656 -6.542 3.081 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.218 -8.115 3.718 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.403 -9.269 1.928 1.00 0.00 H new ATOM 0 HE3 LYS A 27 16.628 -7.780 1.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 18.636 -8.432 2.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 18.061 -6.965 2.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.843 -8.407 3.668 1.00 0.00 H new ATOM 426 N THR A 28 10.028 -6.466 3.563 1.00 0.00 N ATOM 427 CA THR A 28 8.786 -6.707 4.279 1.00 0.00 C ATOM 428 C THR A 28 7.880 -5.481 4.159 1.00 0.00 C ATOM 429 O THR A 28 7.108 -5.216 5.066 1.00 0.00 O ATOM 430 CB THR A 28 9.100 -7.074 5.745 1.00 0.00 C ATOM 431 OG1 THR A 28 10.251 -7.898 5.794 1.00 0.00 O ATOM 432 CG2 THR A 28 7.951 -7.840 6.415 1.00 0.00 C ATOM 0 H THR A 28 10.610 -5.745 3.990 1.00 0.00 H new ATOM 0 HA THR A 28 8.249 -7.549 3.842 1.00 0.00 H new ATOM 0 HB THR A 28 9.255 -6.136 6.278 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.449 -8.128 6.726 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.222 -8.075 7.444 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.051 -7.225 6.407 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.763 -8.765 5.869 1.00 0.00 H new ATOM 440 N GLY A 29 7.961 -4.729 3.056 1.00 0.00 N ATOM 441 CA GLY A 29 7.158 -3.525 2.885 1.00 0.00 C ATOM 442 C GLY A 29 7.849 -2.566 1.924 1.00 0.00 C ATOM 443 O GLY A 29 8.611 -1.703 2.343 1.00 0.00 O ATOM 0 H GLY A 29 8.577 -4.938 2.270 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.172 -3.788 2.502 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.007 -3.040 3.849 1.00 0.00 H new ATOM 447 N PRO A 30 7.644 -2.708 0.611 1.00 0.00 N ATOM 448 CA PRO A 30 8.345 -1.878 -0.347 1.00 0.00 C ATOM 449 C PRO A 30 7.921 -0.421 -0.161 1.00 0.00 C ATOM 450 O PRO A 30 6.732 -0.133 -0.034 1.00 0.00 O ATOM 451 CB PRO A 30 7.999 -2.445 -1.726 1.00 0.00 C ATOM 452 CG PRO A 30 6.667 -3.160 -1.498 1.00 0.00 C ATOM 453 CD PRO A 30 6.708 -3.603 -0.034 1.00 0.00 C ATOM 0 HA PRO A 30 9.427 -1.889 -0.218 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.908 -1.656 -2.472 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.767 -3.132 -2.081 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.824 -2.496 -1.687 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.556 -4.014 -2.167 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.721 -3.537 0.424 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.032 -4.640 0.054 1.00 0.00 H new ATOM 461 N ASN A 31 8.889 0.497 -0.094 1.00 0.00 N ATOM 462 CA ASN A 31 8.623 1.929 -0.023 1.00 0.00 C ATOM 463 C ASN A 31 7.626 2.363 -1.103 1.00 0.00 C ATOM 464 O ASN A 31 7.899 2.181 -2.290 1.00 0.00 O ATOM 465 CB ASN A 31 9.944 2.693 -0.180 1.00 0.00 C ATOM 466 CG ASN A 31 9.852 4.079 0.438 1.00 0.00 C ATOM 467 OD1 ASN A 31 9.886 5.107 -0.229 1.00 0.00 O ATOM 468 ND2 ASN A 31 9.782 4.099 1.760 1.00 0.00 N ATOM 0 H ASN A 31 9.882 0.263 -0.088 1.00 0.00 H new ATOM 0 HA ASN A 31 8.178 2.156 0.946 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.750 2.133 0.294 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.194 2.779 -1.237 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.755 4.990 2.256 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.755 3.223 2.283 1.00 0.00 H new ATOM 475 N LEU A 32 6.478 2.930 -0.710 1.00 0.00 N ATOM 476 CA LEU A 32 5.356 3.194 -1.613 1.00 0.00 C ATOM 477 C LEU A 32 5.597 4.457 -2.455 1.00 0.00 C ATOM 478 O LEU A 32 4.794 5.389 -2.450 1.00 0.00 O ATOM 479 CB LEU A 32 4.035 3.306 -0.827 1.00 0.00 C ATOM 480 CG LEU A 32 3.777 2.204 0.214 1.00 0.00 C ATOM 481 CD1 LEU A 32 2.480 2.502 0.975 1.00 0.00 C ATOM 482 CD2 LEU A 32 3.635 0.838 -0.467 1.00 0.00 C ATOM 0 H LEU A 32 6.303 3.220 0.252 1.00 0.00 H new ATOM 0 HA LEU A 32 5.278 2.349 -2.298 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.018 4.270 -0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.210 3.306 -1.539 1.00 0.00 H new ATOM 0 HG LEU A 32 4.624 2.182 0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.302 1.718 1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.568 3.463 1.482 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.646 2.537 0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.453 0.073 0.287 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.799 0.865 -1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.552 0.604 -1.008 1.00 0.00 H new ATOM 494 N HIS A 33 6.703 4.487 -3.196 1.00 0.00 N ATOM 495 CA HIS A 33 7.213 5.654 -3.906 1.00 0.00 C ATOM 496 C HIS A 33 6.446 5.930 -5.210 1.00 0.00 C ATOM 497 O HIS A 33 7.049 6.170 -6.254 1.00 0.00 O ATOM 498 CB HIS A 33 8.722 5.460 -4.139 1.00 0.00 C ATOM 499 CG HIS A 33 9.071 4.312 -5.062 1.00 0.00 C ATOM 500 ND1 HIS A 33 8.974 2.966 -4.777 1.00 0.00 N ATOM 501 CD2 HIS A 33 9.476 4.426 -6.366 1.00 0.00 C ATOM 502 CE1 HIS A 33 9.301 2.292 -5.893 1.00 0.00 C ATOM 503 NE2 HIS A 33 9.616 3.137 -6.888 1.00 0.00 N ATOM 0 H HIS A 33 7.291 3.663 -3.322 1.00 0.00 H new ATOM 0 HA HIS A 33 7.056 6.543 -3.296 1.00 0.00 H new ATOM 0 HB2 HIS A 33 9.134 6.380 -4.552 1.00 0.00 H new ATOM 0 HB3 HIS A 33 9.208 5.297 -3.177 1.00 0.00 H new ATOM 0 HD1 HIS A 33 8.704 2.557 -3.883 1.00 0.00 H new ATOM 0 HD2 HIS A 33 9.655 5.349 -6.897 1.00 0.00 H new ATOM 0 HE1 HIS A 33 9.309 1.215 -5.978 1.00 0.00 H new ATOM 511 N GLY A 34 5.112 5.911 -5.168 1.00 0.00 N ATOM 512 CA GLY A 34 4.295 6.203 -6.333 1.00 0.00 C ATOM 513 C GLY A 34 2.936 5.524 -6.240 1.00 0.00 C ATOM 514 O GLY A 34 1.940 6.195 -5.982 1.00 0.00 O ATOM 0 H GLY A 34 4.576 5.693 -4.328 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.160 7.281 -6.424 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.810 5.869 -7.234 1.00 0.00 H new ATOM 518 N LEU A 35 2.895 4.210 -6.482 1.00 0.00 N ATOM 519 CA LEU A 35 1.685 3.400 -6.564 1.00 0.00 C ATOM 520 C LEU A 35 0.767 3.890 -7.690 1.00 0.00 C ATOM 521 O LEU A 35 0.736 3.322 -8.781 1.00 0.00 O ATOM 522 CB LEU A 35 0.963 3.368 -5.211 1.00 0.00 C ATOM 523 CG LEU A 35 1.477 2.280 -4.263 1.00 0.00 C ATOM 524 CD1 LEU A 35 3.004 2.267 -4.135 1.00 0.00 C ATOM 525 CD2 LEU A 35 0.825 2.546 -2.905 1.00 0.00 C ATOM 0 H LEU A 35 3.743 3.663 -6.632 1.00 0.00 H new ATOM 0 HA LEU A 35 1.972 2.377 -6.808 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.072 4.339 -4.728 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.103 3.215 -5.382 1.00 0.00 H new ATOM 0 HG LEU A 35 1.214 1.299 -4.658 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.305 1.474 -3.450 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.450 2.089 -5.114 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.345 3.228 -3.750 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.158 1.796 -2.188 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.110 3.537 -2.552 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.259 2.495 -3.006 1.00 0.00 H new ATOM 537 N PHE A 36 0.033 4.964 -7.407 1.00 0.00 N ATOM 538 CA PHE A 36 -0.952 5.559 -8.286 1.00 0.00 C ATOM 539 C PHE A 36 -0.302 5.877 -9.626 1.00 0.00 C ATOM 540 O PHE A 36 0.666 6.635 -9.691 1.00 0.00 O ATOM 541 CB PHE A 36 -1.564 6.796 -7.617 1.00 0.00 C ATOM 542 CG PHE A 36 -2.411 6.470 -6.396 1.00 0.00 C ATOM 543 CD1 PHE A 36 -1.807 6.222 -5.147 1.00 0.00 C ATOM 544 CD2 PHE A 36 -3.802 6.308 -6.538 1.00 0.00 C ATOM 545 CE1 PHE A 36 -2.580 5.756 -4.070 1.00 0.00 C ATOM 546 CE2 PHE A 36 -4.579 5.898 -5.442 1.00 0.00 C ATOM 547 CZ PHE A 36 -3.968 5.601 -4.216 1.00 0.00 C ATOM 0 H PHE A 36 0.118 5.459 -6.519 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.769 4.862 -8.474 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.763 7.474 -7.323 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.179 7.326 -8.345 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.748 6.390 -5.017 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.273 6.499 -7.491 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.106 5.517 -3.129 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.651 5.811 -5.544 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.564 5.253 -3.385 1.00 0.00 H new ATOM 557 N GLY A 37 -0.820 5.267 -10.693 1.00 0.00 N ATOM 558 CA GLY A 37 -0.292 5.493 -12.028 1.00 0.00 C ATOM 559 C GLY A 37 1.035 4.762 -12.249 1.00 0.00 C ATOM 560 O GLY A 37 1.867 5.235 -13.021 1.00 0.00 O ATOM 0 H GLY A 37 -1.603 4.615 -10.653 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.019 5.157 -12.767 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.148 6.562 -12.185 1.00 0.00 H new ATOM 564 N ARG A 38 1.247 3.617 -11.588 1.00 0.00 N ATOM 565 CA ARG A 38 2.479 2.849 -11.703 1.00 0.00 C ATOM 566 C ARG A 38 2.152 1.355 -11.748 1.00 0.00 C ATOM 567 O ARG A 38 1.539 0.824 -10.827 1.00 0.00 O ATOM 568 CB ARG A 38 3.395 3.224 -10.527 1.00 0.00 C ATOM 569 CG ARG A 38 4.854 3.400 -10.969 1.00 0.00 C ATOM 570 CD ARG A 38 5.612 4.295 -9.979 1.00 0.00 C ATOM 571 NE ARG A 38 5.092 5.676 -10.004 1.00 0.00 N ATOM 572 CZ ARG A 38 5.428 6.637 -10.881 1.00 0.00 C ATOM 573 NH1 ARG A 38 6.367 6.404 -11.805 1.00 0.00 N ATOM 574 NH2 ARG A 38 4.819 7.828 -10.832 1.00 0.00 N ATOM 0 H ARG A 38 0.562 3.201 -10.957 1.00 0.00 H new ATOM 0 HA ARG A 38 3.006 3.082 -12.628 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.040 4.148 -10.071 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.339 2.449 -9.762 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.340 2.427 -11.034 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.888 3.840 -11.966 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.521 3.887 -8.972 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.673 4.298 -10.227 1.00 0.00 H new ATOM 0 HE ARG A 38 4.412 5.925 -9.286 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.829 5.496 -11.845 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.621 7.135 -12.470 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.101 8.005 -10.130 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.073 8.558 -11.497 1.00 0.00 H new ATOM 588 N LYS A 39 2.531 0.686 -12.843 1.00 0.00 N ATOM 589 CA LYS A 39 2.294 -0.738 -13.021 1.00 0.00 C ATOM 590 C LYS A 39 3.104 -1.541 -11.993 1.00 0.00 C ATOM 591 O LYS A 39 4.325 -1.413 -11.948 1.00 0.00 O ATOM 592 CB LYS A 39 2.570 -1.162 -14.480 1.00 0.00 C ATOM 593 CG LYS A 39 3.983 -0.891 -15.040 1.00 0.00 C ATOM 594 CD LYS A 39 4.059 0.329 -15.975 1.00 0.00 C ATOM 595 CE LYS A 39 5.479 0.452 -16.556 1.00 0.00 C ATOM 596 NZ LYS A 39 5.642 1.648 -17.412 1.00 0.00 N ATOM 0 H LYS A 39 3.011 1.125 -13.629 1.00 0.00 H new ATOM 0 HA LYS A 39 1.242 -0.958 -12.836 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.373 -2.231 -14.564 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.850 -0.654 -15.121 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.671 -0.742 -14.208 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.324 -1.773 -15.581 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.334 0.226 -16.782 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.800 1.235 -15.427 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.199 0.494 -15.739 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.708 -0.441 -17.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.615 1.683 -17.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.975 1.599 -18.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.451 2.504 -16.853 1.00 0.00 H new ATOM 610 N THR A 40 2.440 -2.352 -11.161 1.00 0.00 N ATOM 611 CA THR A 40 3.127 -3.269 -10.261 1.00 0.00 C ATOM 612 C THR A 40 3.449 -4.567 -11.004 1.00 0.00 C ATOM 613 O THR A 40 3.371 -4.645 -12.229 1.00 0.00 O ATOM 614 CB THR A 40 2.358 -3.473 -8.947 1.00 0.00 C ATOM 615 OG1 THR A 40 3.315 -3.721 -7.925 1.00 0.00 O ATOM 616 CG2 THR A 40 1.329 -4.613 -8.919 1.00 0.00 C ATOM 0 H THR A 40 1.423 -2.387 -11.097 1.00 0.00 H new ATOM 0 HA THR A 40 4.076 -2.831 -9.952 1.00 0.00 H new ATOM 0 HB THR A 40 1.773 -2.563 -8.810 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.149 -4.601 -7.528 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.856 -4.652 -7.938 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.570 -4.437 -9.681 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.830 -5.560 -9.118 1.00 0.00 H new ATOM 624 N GLY A 41 3.788 -5.598 -10.238 1.00 0.00 N ATOM 625 CA GLY A 41 4.103 -6.924 -10.738 1.00 0.00 C ATOM 626 C GLY A 41 5.520 -6.987 -11.320 1.00 0.00 C ATOM 627 O GLY A 41 5.903 -7.979 -11.943 1.00 0.00 O ATOM 0 H GLY A 41 3.852 -5.528 -9.222 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.008 -7.650 -9.930 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.381 -7.205 -11.505 1.00 0.00 H new ATOM 631 N GLN A 42 6.313 -5.928 -11.120 1.00 0.00 N ATOM 632 CA GLN A 42 7.651 -5.813 -11.664 1.00 0.00 C ATOM 633 C GLN A 42 8.402 -4.703 -10.919 1.00 0.00 C ATOM 634 O GLN A 42 8.257 -3.527 -11.244 1.00 0.00 O ATOM 635 CB GLN A 42 7.582 -5.544 -13.182 1.00 0.00 C ATOM 636 CG GLN A 42 8.728 -6.255 -13.906 1.00 0.00 C ATOM 637 CD GLN A 42 8.940 -5.694 -15.309 1.00 0.00 C ATOM 638 OE1 GLN A 42 7.993 -5.515 -16.067 1.00 0.00 O ATOM 639 NE2 GLN A 42 10.187 -5.404 -15.668 1.00 0.00 N ATOM 0 H GLN A 42 6.029 -5.120 -10.566 1.00 0.00 H new ATOM 0 HA GLN A 42 8.196 -6.746 -11.525 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.626 -5.889 -13.575 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.635 -4.472 -13.370 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.646 -6.148 -13.328 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.513 -7.322 -13.969 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.955 -5.563 -15.016 1.00 0.00 H new ATOM 0 HE22 GLN A 42 10.375 -5.022 -16.595 1.00 0.00 H new ATOM 648 N ALA A 43 9.206 -5.074 -9.921 1.00 0.00 N ATOM 649 CA ALA A 43 10.190 -4.196 -9.292 1.00 0.00 C ATOM 650 C ALA A 43 11.586 -4.662 -9.720 1.00 0.00 C ATOM 651 O ALA A 43 11.750 -5.841 -10.029 1.00 0.00 O ATOM 652 CB ALA A 43 10.035 -4.233 -7.767 1.00 0.00 C ATOM 0 H ALA A 43 9.190 -6.012 -9.521 1.00 0.00 H new ATOM 0 HA ALA A 43 10.039 -3.164 -9.608 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.774 -3.575 -7.310 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.034 -3.899 -7.495 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.187 -5.252 -7.410 1.00 0.00 H new ATOM 658 N PRO A 44 12.597 -3.776 -9.750 1.00 0.00 N ATOM 659 CA PRO A 44 13.930 -4.117 -10.228 1.00 0.00 C ATOM 660 C PRO A 44 14.660 -5.110 -9.324 1.00 0.00 C ATOM 661 O PRO A 44 15.503 -5.863 -9.802 1.00 0.00 O ATOM 662 CB PRO A 44 14.681 -2.787 -10.348 1.00 0.00 C ATOM 663 CG PRO A 44 13.966 -1.881 -9.345 1.00 0.00 C ATOM 664 CD PRO A 44 12.517 -2.360 -9.426 1.00 0.00 C ATOM 0 HA PRO A 44 13.870 -4.633 -11.186 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.738 -2.899 -10.105 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.628 -2.386 -11.360 1.00 0.00 H new ATOM 0 HG2 PRO A 44 14.372 -1.991 -8.340 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.059 -0.829 -9.613 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.997 -2.202 -8.481 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.964 -1.813 -10.189 1.00 0.00 H new ATOM 672 N GLY A 45 14.354 -5.091 -8.027 1.00 0.00 N ATOM 673 CA GLY A 45 14.973 -5.963 -7.038 1.00 0.00 C ATOM 674 C GLY A 45 13.924 -6.831 -6.351 1.00 0.00 C ATOM 675 O GLY A 45 13.584 -7.914 -6.822 1.00 0.00 O ATOM 0 H GLY A 45 13.658 -4.459 -7.631 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.717 -6.597 -7.520 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.498 -5.363 -6.295 1.00 0.00 H new ATOM 679 N PHE A 46 13.408 -6.355 -5.217 1.00 0.00 N ATOM 680 CA PHE A 46 12.418 -7.080 -4.438 1.00 0.00 C ATOM 681 C PHE A 46 11.053 -6.810 -5.063 1.00 0.00 C ATOM 682 O PHE A 46 10.506 -5.723 -4.897 1.00 0.00 O ATOM 683 CB PHE A 46 12.493 -6.650 -2.967 1.00 0.00 C ATOM 684 CG PHE A 46 11.253 -6.974 -2.156 1.00 0.00 C ATOM 685 CD1 PHE A 46 10.923 -8.308 -1.843 1.00 0.00 C ATOM 686 CD2 PHE A 46 10.323 -5.950 -1.907 1.00 0.00 C ATOM 687 CE1 PHE A 46 9.690 -8.598 -1.231 1.00 0.00 C ATOM 688 CE2 PHE A 46 9.075 -6.255 -1.350 1.00 0.00 C ATOM 689 CZ PHE A 46 8.775 -7.568 -0.965 1.00 0.00 C ATOM 0 H PHE A 46 13.669 -5.454 -4.817 1.00 0.00 H new ATOM 0 HA PHE A 46 12.603 -8.154 -4.453 1.00 0.00 H new ATOM 0 HB2 PHE A 46 13.353 -7.134 -2.503 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.670 -5.575 -2.924 1.00 0.00 H new ATOM 0 HD1 PHE A 46 11.615 -9.105 -2.072 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.571 -4.926 -2.146 1.00 0.00 H new ATOM 0 HE1 PHE A 46 9.447 -9.616 -0.965 1.00 0.00 H new ATOM 0 HE2 PHE A 46 8.341 -5.475 -1.217 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.843 -7.787 -0.465 1.00 0.00 H new ATOM 699 N THR A 47 10.525 -7.792 -5.797 1.00 0.00 N ATOM 700 CA THR A 47 9.218 -7.717 -6.430 1.00 0.00 C ATOM 701 C THR A 47 8.269 -8.728 -5.783 1.00 0.00 C ATOM 702 O THR A 47 7.556 -9.456 -6.463 1.00 0.00 O ATOM 703 CB THR A 47 9.374 -7.791 -7.959 1.00 0.00 C ATOM 704 OG1 THR A 47 8.207 -7.353 -8.638 1.00 0.00 O ATOM 705 CG2 THR A 47 9.818 -9.155 -8.477 1.00 0.00 C ATOM 0 H THR A 47 11.007 -8.675 -5.968 1.00 0.00 H new ATOM 0 HA THR A 47 8.737 -6.754 -6.258 1.00 0.00 H new ATOM 0 HB THR A 47 10.186 -7.100 -8.185 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.424 -7.815 -8.273 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.904 -9.121 -9.563 1.00 0.00 H new ATOM 0 HG22 THR A 47 10.785 -9.411 -8.044 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.083 -9.909 -8.194 1.00 0.00 H new ATOM 713 N TYR A 48 8.210 -8.708 -4.446 1.00 0.00 N ATOM 714 CA TYR A 48 7.155 -9.366 -3.684 1.00 0.00 C ATOM 715 C TYR A 48 7.237 -10.899 -3.778 1.00 0.00 C ATOM 716 O TYR A 48 8.271 -11.460 -4.131 1.00 0.00 O ATOM 717 CB TYR A 48 5.772 -8.879 -4.149 1.00 0.00 C ATOM 718 CG TYR A 48 5.664 -7.503 -4.786 1.00 0.00 C ATOM 719 CD1 TYR A 48 6.273 -6.370 -4.213 1.00 0.00 C ATOM 720 CD2 TYR A 48 5.108 -7.411 -6.074 1.00 0.00 C ATOM 721 CE1 TYR A 48 6.375 -5.179 -4.957 1.00 0.00 C ATOM 722 CE2 TYR A 48 5.151 -6.207 -6.783 1.00 0.00 C ATOM 723 CZ TYR A 48 5.770 -5.084 -6.221 1.00 0.00 C ATOM 724 OH TYR A 48 5.912 -3.964 -6.977 1.00 0.00 O ATOM 0 H TYR A 48 8.899 -8.231 -3.864 1.00 0.00 H new ATOM 0 HA TYR A 48 7.299 -9.096 -2.638 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.388 -9.606 -4.864 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.106 -8.898 -3.286 1.00 0.00 H new ATOM 0 HD1 TYR A 48 6.661 -6.414 -3.206 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.644 -8.278 -6.520 1.00 0.00 H new ATOM 0 HE1 TYR A 48 6.919 -4.337 -4.555 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.706 -6.143 -7.765 1.00 0.00 H new ATOM 0 HH TYR A 48 5.054 -3.740 -7.394 1.00 0.00 H new ATOM 734 N THR A 49 6.124 -11.564 -3.460 1.00 0.00 N ATOM 735 CA THR A 49 5.839 -12.948 -3.790 1.00 0.00 C ATOM 736 C THR A 49 5.447 -13.050 -5.270 1.00 0.00 C ATOM 737 O THR A 49 5.187 -12.039 -5.911 1.00 0.00 O ATOM 738 CB THR A 49 4.665 -13.366 -2.893 1.00 0.00 C ATOM 739 OG1 THR A 49 3.676 -12.348 -2.950 1.00 0.00 O ATOM 740 CG2 THR A 49 5.143 -13.513 -1.444 1.00 0.00 C ATOM 0 H THR A 49 5.365 -11.124 -2.940 1.00 0.00 H new ATOM 0 HA THR A 49 6.703 -13.593 -3.630 1.00 0.00 H new ATOM 0 HB THR A 49 4.260 -14.318 -3.235 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.908 -12.607 -2.400 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.305 -13.810 -0.813 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.923 -14.273 -1.393 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.542 -12.561 -1.094 1.00 0.00 H new ATOM 748 N ASP A 50 5.333 -14.269 -5.797 1.00 0.00 N ATOM 749 CA ASP A 50 4.670 -14.608 -7.055 1.00 0.00 C ATOM 750 C ASP A 50 3.257 -14.040 -7.086 1.00 0.00 C ATOM 751 O ASP A 50 2.847 -13.482 -8.094 1.00 0.00 O ATOM 752 CB ASP A 50 4.635 -16.139 -7.189 1.00 0.00 C ATOM 753 CG ASP A 50 3.843 -16.819 -6.074 1.00 0.00 C ATOM 754 OD1 ASP A 50 3.879 -16.272 -4.944 1.00 0.00 O ATOM 755 OD2 ASP A 50 3.203 -17.845 -6.375 1.00 0.00 O ATOM 0 H ASP A 50 5.722 -15.090 -5.333 1.00 0.00 H new ATOM 0 HA ASP A 50 5.221 -14.174 -7.890 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.197 -16.404 -8.151 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.656 -16.522 -7.187 1.00 0.00 H new ATOM 760 N ALA A 51 2.508 -14.170 -5.996 1.00 0.00 N ATOM 761 CA ALA A 51 1.103 -13.792 -5.946 1.00 0.00 C ATOM 762 C ALA A 51 0.911 -12.323 -6.318 1.00 0.00 C ATOM 763 O ALA A 51 0.038 -11.980 -7.115 1.00 0.00 O ATOM 764 CB ALA A 51 0.557 -14.108 -4.552 1.00 0.00 C ATOM 0 H ALA A 51 2.863 -14.544 -5.116 1.00 0.00 H new ATOM 0 HA ALA A 51 0.542 -14.368 -6.682 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.496 -13.829 -4.502 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.660 -15.175 -4.354 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.118 -13.545 -3.806 1.00 0.00 H new ATOM 770 N ASN A 52 1.736 -11.450 -5.745 1.00 0.00 N ATOM 771 CA ASN A 52 1.696 -10.027 -6.044 1.00 0.00 C ATOM 772 C ASN A 52 2.458 -9.741 -7.339 1.00 0.00 C ATOM 773 O ASN A 52 2.003 -8.965 -8.175 1.00 0.00 O ATOM 774 CB ASN A 52 2.265 -9.278 -4.846 1.00 0.00 C ATOM 775 CG ASN A 52 1.988 -7.779 -4.855 1.00 0.00 C ATOM 776 OD1 ASN A 52 1.830 -7.151 -5.896 1.00 0.00 O ATOM 777 ND2 ASN A 52 1.902 -7.201 -3.665 1.00 0.00 N ATOM 0 H ASN A 52 2.448 -11.711 -5.063 1.00 0.00 H new ATOM 0 HA ASN A 52 0.674 -9.687 -6.209 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.850 -9.707 -3.934 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.343 -9.436 -4.812 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.699 -6.204 -3.596 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.039 -7.753 -2.819 1.00 0.00 H new ATOM 784 N LYS A 53 3.589 -10.419 -7.560 1.00 0.00 N ATOM 785 CA LYS A 53 4.371 -10.278 -8.789 1.00 0.00 C ATOM 786 C LYS A 53 3.480 -10.538 -10.001 1.00 0.00 C ATOM 787 O LYS A 53 3.628 -9.917 -11.051 1.00 0.00 O ATOM 788 CB LYS A 53 5.599 -11.195 -8.750 1.00 0.00 C ATOM 789 CG LYS A 53 6.512 -11.032 -9.970 1.00 0.00 C ATOM 790 CD LYS A 53 6.115 -12.006 -11.090 1.00 0.00 C ATOM 791 CE LYS A 53 6.296 -11.365 -12.467 1.00 0.00 C ATOM 792 NZ LYS A 53 7.712 -11.078 -12.767 1.00 0.00 N ATOM 0 H LYS A 53 3.986 -11.080 -6.892 1.00 0.00 H new ATOM 0 HA LYS A 53 4.745 -9.258 -8.873 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.171 -10.987 -7.846 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.269 -12.232 -8.687 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.454 -10.007 -10.337 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.548 -11.209 -9.680 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.722 -12.909 -11.023 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.076 -12.310 -10.961 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.892 -12.029 -13.231 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.722 -10.440 -12.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.786 -10.645 -13.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.092 -10.423 -12.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.257 -11.964 -12.749 1.00 0.00 H new ATOM 806 N ASN A 54 2.551 -11.476 -9.851 1.00 0.00 N ATOM 807 CA ASN A 54 1.656 -11.897 -10.900 1.00 0.00 C ATOM 808 C ASN A 54 0.648 -10.788 -11.250 1.00 0.00 C ATOM 809 O ASN A 54 0.102 -10.785 -12.348 1.00 0.00 O ATOM 810 CB ASN A 54 0.918 -13.171 -10.474 1.00 0.00 C ATOM 811 CG ASN A 54 -0.019 -13.670 -11.568 1.00 0.00 C ATOM 812 OD1 ASN A 54 -1.231 -13.494 -11.485 1.00 0.00 O ATOM 813 ND2 ASN A 54 0.533 -14.307 -12.597 1.00 0.00 N ATOM 0 H ASN A 54 2.403 -11.971 -8.972 1.00 0.00 H new ATOM 0 HA ASN A 54 2.247 -12.105 -11.792 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.643 -13.948 -10.233 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.347 -12.975 -9.567 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.055 -14.667 -13.349 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.544 -14.436 -12.634 1.00 0.00 H new ATOM 820 N LYS A 55 0.336 -9.890 -10.301 1.00 0.00 N ATOM 821 CA LYS A 55 -0.886 -9.093 -10.358 1.00 0.00 C ATOM 822 C LYS A 55 -0.993 -8.158 -11.562 1.00 0.00 C ATOM 823 O LYS A 55 -2.033 -8.168 -12.218 1.00 0.00 O ATOM 824 CB LYS A 55 -1.118 -8.297 -9.067 1.00 0.00 C ATOM 825 CG LYS A 55 -2.005 -9.001 -8.029 1.00 0.00 C ATOM 826 CD LYS A 55 -3.497 -8.606 -8.094 1.00 0.00 C ATOM 827 CE LYS A 55 -4.464 -9.594 -8.769 1.00 0.00 C ATOM 828 NZ LYS A 55 -4.192 -9.826 -10.204 1.00 0.00 N ATOM 0 H LYS A 55 0.919 -9.702 -9.486 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.672 -9.839 -10.476 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.152 -8.080 -8.612 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.572 -7.340 -9.323 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.920 -10.079 -8.168 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.625 -8.777 -7.032 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.845 -8.438 -7.075 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.570 -7.653 -8.618 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.416 -10.548 -8.243 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.482 -9.220 -8.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.092 -9.930 -10.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.664 -9.019 -10.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.629 -10.693 -10.315 1.00 0.00 H new ATOM 842 N GLY A 56 0.015 -7.306 -11.774 1.00 0.00 N ATOM 843 CA GLY A 56 0.036 -6.326 -12.856 1.00 0.00 C ATOM 844 C GLY A 56 -1.154 -5.356 -12.808 1.00 0.00 C ATOM 845 O GLY A 56 -2.066 -5.449 -13.625 1.00 0.00 O ATOM 0 H GLY A 56 0.850 -7.280 -11.188 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.964 -5.757 -12.806 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.034 -6.849 -13.813 1.00 0.00 H new ATOM 849 N ILE A 57 -1.136 -4.401 -11.872 1.00 0.00 N ATOM 850 CA ILE A 57 -2.155 -3.377 -11.701 1.00 0.00 C ATOM 851 C ILE A 57 -1.497 -2.031 -11.429 1.00 0.00 C ATOM 852 O ILE A 57 -0.371 -1.973 -10.948 1.00 0.00 O ATOM 853 CB ILE A 57 -3.063 -3.716 -10.515 1.00 0.00 C ATOM 854 CG1 ILE A 57 -2.262 -4.035 -9.239 1.00 0.00 C ATOM 855 CG2 ILE A 57 -4.018 -4.857 -10.882 1.00 0.00 C ATOM 856 CD1 ILE A 57 -2.966 -3.492 -8.000 1.00 0.00 C ATOM 0 H ILE A 57 -0.381 -4.323 -11.191 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.746 -3.332 -12.616 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.657 -2.830 -10.290 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.135 -5.114 -9.146 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.265 -3.602 -9.314 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.656 -5.086 -10.029 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.637 -4.556 -11.728 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.441 -5.742 -11.151 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.379 -3.731 -7.114 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.070 -2.410 -8.085 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.953 -3.946 -7.914 1.00 0.00 H new ATOM 868 N THR A 58 -2.213 -0.942 -11.692 1.00 0.00 N ATOM 869 CA THR A 58 -1.679 0.411 -11.697 1.00 0.00 C ATOM 870 C THR A 58 -1.750 1.078 -10.311 1.00 0.00 C ATOM 871 O THR A 58 -1.908 2.299 -10.243 1.00 0.00 O ATOM 872 CB THR A 58 -2.488 1.175 -12.761 1.00 0.00 C ATOM 873 OG1 THR A 58 -2.873 0.273 -13.784 1.00 0.00 O ATOM 874 CG2 THR A 58 -1.692 2.317 -13.389 1.00 0.00 C ATOM 0 H THR A 58 -3.208 -0.980 -11.913 1.00 0.00 H new ATOM 0 HA THR A 58 -0.616 0.412 -11.938 1.00 0.00 H new ATOM 0 HB THR A 58 -3.357 1.607 -12.265 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.390 0.752 -14.465 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.307 2.824 -14.132 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.401 3.027 -12.614 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.799 1.917 -13.869 1.00 0.00 H new ATOM 882 N TRP A 59 -1.688 0.267 -9.239 1.00 0.00 N ATOM 883 CA TRP A 59 -2.001 0.604 -7.847 1.00 0.00 C ATOM 884 C TRP A 59 -2.851 1.861 -7.712 1.00 0.00 C ATOM 885 O TRP A 59 -2.399 2.902 -7.247 1.00 0.00 O ATOM 886 CB TRP A 59 -0.740 0.648 -6.988 1.00 0.00 C ATOM 887 CG TRP A 59 -0.248 -0.687 -6.546 1.00 0.00 C ATOM 888 CD1 TRP A 59 0.967 -1.193 -6.821 1.00 0.00 C ATOM 889 CD2 TRP A 59 -0.912 -1.672 -5.698 1.00 0.00 C ATOM 890 NE1 TRP A 59 1.062 -2.462 -6.294 1.00 0.00 N ATOM 891 CE2 TRP A 59 -0.064 -2.810 -5.576 1.00 0.00 C ATOM 892 CE3 TRP A 59 -2.139 -1.710 -5.000 1.00 0.00 C ATOM 893 CZ2 TRP A 59 -0.420 -3.934 -4.816 1.00 0.00 C ATOM 894 CZ3 TRP A 59 -2.484 -2.809 -4.194 1.00 0.00 C ATOM 895 CH2 TRP A 59 -1.626 -3.918 -4.095 1.00 0.00 C ATOM 0 H TRP A 59 -1.398 -0.706 -9.334 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.624 -0.203 -7.461 1.00 0.00 H new ATOM 0 HB2 TRP A 59 0.051 1.145 -7.550 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -0.937 1.259 -6.107 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.746 -0.684 -7.369 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.869 -3.073 -6.420 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -2.825 -0.880 -5.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 0.224 -4.800 -4.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -3.415 -2.801 -3.647 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.893 -4.755 -3.467 1.00 0.00 H new ATOM 906 N LYS A 60 -4.103 1.723 -8.130 1.00 0.00 N ATOM 907 CA LYS A 60 -5.036 2.814 -8.309 1.00 0.00 C ATOM 908 C LYS A 60 -6.024 2.835 -7.142 1.00 0.00 C ATOM 909 O LYS A 60 -6.099 1.884 -6.356 1.00 0.00 O ATOM 910 CB LYS A 60 -5.727 2.664 -9.676 1.00 0.00 C ATOM 911 CG LYS A 60 -6.172 1.223 -10.003 1.00 0.00 C ATOM 912 CD LYS A 60 -6.695 1.068 -11.434 1.00 0.00 C ATOM 913 CE LYS A 60 -8.110 1.635 -11.533 1.00 0.00 C ATOM 914 NZ LYS A 60 -8.709 1.582 -12.879 1.00 0.00 N ATOM 0 H LYS A 60 -4.505 0.814 -8.360 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.520 3.774 -8.307 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.599 3.317 -9.704 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.046 3.008 -10.455 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.331 0.546 -9.854 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.951 0.922 -9.303 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.036 1.587 -12.130 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.694 0.016 -11.719 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.753 1.088 -10.843 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.094 2.673 -11.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.739 1.710 -12.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.307 2.339 -13.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.505 0.660 -13.314 1.00 0.00 H new ATOM 928 N GLU A 61 -6.819 3.908 -7.080 1.00 0.00 N ATOM 929 CA GLU A 61 -7.826 4.140 -6.046 1.00 0.00 C ATOM 930 C GLU A 61 -8.873 3.035 -5.996 1.00 0.00 C ATOM 931 O GLU A 61 -9.582 2.916 -5.010 1.00 0.00 O ATOM 932 CB GLU A 61 -8.469 5.526 -6.238 1.00 0.00 C ATOM 933 CG GLU A 61 -9.061 6.096 -4.939 1.00 0.00 C ATOM 934 CD GLU A 61 -10.106 7.163 -5.238 1.00 0.00 C ATOM 935 OE1 GLU A 61 -11.178 6.787 -5.752 1.00 0.00 O ATOM 936 OE2 GLU A 61 -9.809 8.349 -4.978 1.00 0.00 O ATOM 0 H GLU A 61 -6.776 4.659 -7.769 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.323 4.121 -5.079 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.720 6.218 -6.624 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.256 5.455 -6.989 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.513 5.292 -4.358 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.265 6.522 -4.329 1.00 0.00 H new ATOM 943 N GLU A 62 -8.964 2.200 -7.027 1.00 0.00 N ATOM 944 CA GLU A 62 -9.898 1.096 -7.011 1.00 0.00 C ATOM 945 C GLU A 62 -9.265 -0.113 -6.305 1.00 0.00 C ATOM 946 O GLU A 62 -9.861 -0.741 -5.433 1.00 0.00 O ATOM 947 CB GLU A 62 -10.349 0.799 -8.449 1.00 0.00 C ATOM 948 CG GLU A 62 -10.647 2.100 -9.225 1.00 0.00 C ATOM 949 CD GLU A 62 -11.337 1.837 -10.564 1.00 0.00 C ATOM 950 OE1 GLU A 62 -12.340 1.102 -10.558 1.00 0.00 O ATOM 951 OE2 GLU A 62 -10.807 2.326 -11.591 1.00 0.00 O ATOM 0 H GLU A 62 -8.403 2.272 -7.876 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.792 1.350 -6.441 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.573 0.234 -8.966 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.241 0.172 -8.430 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.278 2.747 -8.615 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.715 2.637 -9.399 1.00 0.00 H new ATOM 958 N THR A 63 -8.024 -0.430 -6.678 1.00 0.00 N ATOM 959 CA THR A 63 -7.320 -1.623 -6.250 1.00 0.00 C ATOM 960 C THR A 63 -6.820 -1.473 -4.818 1.00 0.00 C ATOM 961 O THR A 63 -6.869 -2.430 -4.046 1.00 0.00 O ATOM 962 CB THR A 63 -6.170 -1.886 -7.229 1.00 0.00 C ATOM 963 OG1 THR A 63 -5.478 -0.682 -7.529 1.00 0.00 O ATOM 964 CG2 THR A 63 -6.724 -2.452 -8.540 1.00 0.00 C ATOM 0 H THR A 63 -7.472 0.157 -7.303 1.00 0.00 H new ATOM 0 HA THR A 63 -7.996 -2.478 -6.257 1.00 0.00 H new ATOM 0 HB THR A 63 -5.488 -2.595 -6.761 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.749 -0.555 -6.886 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.903 -2.637 -9.232 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.248 -3.387 -8.340 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.416 -1.735 -8.982 1.00 0.00 H new ATOM 972 N LEU A 64 -6.329 -0.282 -4.452 1.00 0.00 N ATOM 973 CA LEU A 64 -5.857 -0.057 -3.096 1.00 0.00 C ATOM 974 C LEU A 64 -6.960 -0.343 -2.081 1.00 0.00 C ATOM 975 O LEU A 64 -6.688 -0.961 -1.061 1.00 0.00 O ATOM 976 CB LEU A 64 -5.315 1.367 -2.920 1.00 0.00 C ATOM 977 CG LEU A 64 -3.779 1.432 -2.996 1.00 0.00 C ATOM 978 CD1 LEU A 64 -3.334 1.928 -4.370 1.00 0.00 C ATOM 979 CD2 LEU A 64 -3.234 2.345 -1.895 1.00 0.00 C ATOM 0 H LEU A 64 -6.252 0.525 -5.072 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.036 -0.750 -2.915 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.740 2.011 -3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.644 1.760 -1.958 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.379 0.429 -2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.245 1.968 -4.407 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.698 1.246 -5.138 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.740 2.924 -4.546 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.147 2.383 -1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.640 3.349 -2.020 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.527 1.954 -0.920 1.00 0.00 H new ATOM 991 N MET A 65 -8.197 0.088 -2.338 1.00 0.00 N ATOM 992 CA MET A 65 -9.295 -0.177 -1.432 1.00 0.00 C ATOM 993 C MET A 65 -9.511 -1.673 -1.274 1.00 0.00 C ATOM 994 O MET A 65 -9.651 -2.141 -0.147 1.00 0.00 O ATOM 995 CB MET A 65 -10.559 0.525 -1.920 1.00 0.00 C ATOM 996 CG MET A 65 -10.296 2.032 -1.955 1.00 0.00 C ATOM 997 SD MET A 65 -11.726 3.121 -1.827 1.00 0.00 S ATOM 998 CE MET A 65 -12.099 2.763 -0.105 1.00 0.00 C ATOM 0 H MET A 65 -8.454 0.621 -3.169 1.00 0.00 H new ATOM 0 HA MET A 65 -9.047 0.222 -0.448 1.00 0.00 H new ATOM 0 HB2 MET A 65 -10.833 0.165 -2.912 1.00 0.00 H new ATOM 0 HB3 MET A 65 -11.396 0.302 -1.258 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.613 2.275 -1.141 1.00 0.00 H new ATOM 0 HG3 MET A 65 -9.778 2.263 -2.886 1.00 0.00 H new ATOM 0 HE1 MET A 65 -12.492 3.659 0.376 1.00 0.00 H new ATOM 0 HE2 MET A 65 -12.842 1.967 -0.051 1.00 0.00 H new ATOM 0 HE3 MET A 65 -11.190 2.446 0.406 1.00 0.00 H new ATOM 1008 N GLU A 66 -9.527 -2.424 -2.380 1.00 0.00 N ATOM 1009 CA GLU A 66 -9.760 -3.861 -2.281 1.00 0.00 C ATOM 1010 C GLU A 66 -8.655 -4.517 -1.436 1.00 0.00 C ATOM 1011 O GLU A 66 -8.922 -5.295 -0.518 1.00 0.00 O ATOM 1012 CB GLU A 66 -9.887 -4.467 -3.686 1.00 0.00 C ATOM 1013 CG GLU A 66 -10.565 -5.845 -3.629 1.00 0.00 C ATOM 1014 CD GLU A 66 -10.777 -6.466 -5.007 1.00 0.00 C ATOM 1015 OE1 GLU A 66 -10.308 -5.861 -5.996 1.00 0.00 O ATOM 1016 OE2 GLU A 66 -11.377 -7.563 -5.037 1.00 0.00 O ATOM 0 H GLU A 66 -9.385 -2.071 -3.326 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.702 -4.055 -1.768 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.465 -3.799 -4.324 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.899 -4.562 -4.136 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.957 -6.517 -3.024 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.528 -5.749 -3.128 1.00 0.00 H new ATOM 1023 N TYR A 67 -7.400 -4.158 -1.721 1.00 0.00 N ATOM 1024 CA TYR A 67 -6.241 -4.671 -1.004 1.00 0.00 C ATOM 1025 C TYR A 67 -6.341 -4.340 0.480 1.00 0.00 C ATOM 1026 O TYR A 67 -6.414 -5.244 1.299 1.00 0.00 O ATOM 1027 CB TYR A 67 -4.973 -4.098 -1.639 1.00 0.00 C ATOM 1028 CG TYR A 67 -3.668 -4.666 -1.114 1.00 0.00 C ATOM 1029 CD1 TYR A 67 -3.440 -6.054 -1.108 1.00 0.00 C ATOM 1030 CD2 TYR A 67 -2.629 -3.800 -0.737 1.00 0.00 C ATOM 1031 CE1 TYR A 67 -2.200 -6.579 -0.717 1.00 0.00 C ATOM 1032 CE2 TYR A 67 -1.384 -4.327 -0.368 1.00 0.00 C ATOM 1033 CZ TYR A 67 -1.159 -5.711 -0.366 1.00 0.00 C ATOM 1034 OH TYR A 67 0.067 -6.212 -0.061 1.00 0.00 O ATOM 0 H TYR A 67 -7.164 -3.498 -2.462 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.204 -5.758 -1.080 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.017 -4.268 -2.715 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.967 -3.019 -1.487 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.231 -6.725 -1.409 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.789 -2.732 -0.731 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.049 -7.648 -0.687 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.586 -3.658 -0.081 1.00 0.00 H new ATOM 0 HH TYR A 67 0.355 -5.865 0.809 1.00 0.00 H new ATOM 1044 N LEU A 68 -6.357 -3.062 0.846 1.00 0.00 N ATOM 1045 CA LEU A 68 -6.419 -2.652 2.243 1.00 0.00 C ATOM 1046 C LEU A 68 -7.644 -3.227 2.964 1.00 0.00 C ATOM 1047 O LEU A 68 -7.551 -3.533 4.151 1.00 0.00 O ATOM 1048 CB LEU A 68 -6.358 -1.120 2.385 1.00 0.00 C ATOM 1049 CG LEU A 68 -4.942 -0.512 2.417 1.00 0.00 C ATOM 1050 CD1 LEU A 68 -4.061 -1.141 3.501 1.00 0.00 C ATOM 1051 CD2 LEU A 68 -4.209 -0.592 1.077 1.00 0.00 C ATOM 0 H LEU A 68 -6.327 -2.285 0.185 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.537 -3.068 2.730 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.907 -0.674 1.556 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.877 -0.837 3.301 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.108 0.540 2.649 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.074 -0.678 3.482 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.517 -0.982 4.478 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.964 -2.211 3.315 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.220 -0.145 1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.107 -1.636 0.780 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.777 -0.052 0.319 1.00 0.00 H new ATOM 1063 N GLU A 69 -8.781 -3.378 2.278 1.00 0.00 N ATOM 1064 CA GLU A 69 -9.953 -4.016 2.864 1.00 0.00 C ATOM 1065 C GLU A 69 -9.682 -5.494 3.150 1.00 0.00 C ATOM 1066 O GLU A 69 -10.177 -6.017 4.147 1.00 0.00 O ATOM 1067 CB GLU A 69 -11.194 -3.838 1.971 1.00 0.00 C ATOM 1068 CG GLU A 69 -12.445 -4.413 2.665 1.00 0.00 C ATOM 1069 CD GLU A 69 -13.766 -4.036 2.014 1.00 0.00 C ATOM 1070 OE1 GLU A 69 -13.763 -3.355 0.969 1.00 0.00 O ATOM 1071 OE2 GLU A 69 -14.799 -4.217 2.697 1.00 0.00 O ATOM 0 H GLU A 69 -8.910 -3.065 1.316 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.162 -3.523 3.813 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.345 -2.780 1.754 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.037 -4.340 1.016 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.364 -5.500 2.686 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.457 -4.074 3.701 1.00 0.00 H new ATOM 1078 N ASN A 70 -8.963 -6.191 2.261 1.00 0.00 N ATOM 1079 CA ASN A 70 -8.805 -7.637 2.390 1.00 0.00 C ATOM 1080 C ASN A 70 -7.543 -8.159 1.688 1.00 0.00 C ATOM 1081 O ASN A 70 -7.630 -8.846 0.672 1.00 0.00 O ATOM 1082 CB ASN A 70 -10.076 -8.305 1.845 1.00 0.00 C ATOM 1083 CG ASN A 70 -10.454 -9.528 2.666 1.00 0.00 C ATOM 1084 OD1 ASN A 70 -9.596 -10.305 3.076 1.00 0.00 O ATOM 1085 ND2 ASN A 70 -11.747 -9.702 2.935 1.00 0.00 N ATOM 0 H ASN A 70 -8.489 -5.780 1.457 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.672 -7.889 3.442 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.898 -7.589 1.855 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -9.919 -8.596 0.806 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.048 -10.499 3.496 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.436 -9.039 2.580 1.00 0.00 H new ATOM 1092 N PRO A 71 -6.343 -7.877 2.205 1.00 0.00 N ATOM 1093 CA PRO A 71 -5.129 -7.963 1.406 1.00 0.00 C ATOM 1094 C PRO A 71 -4.771 -9.404 1.050 1.00 0.00 C ATOM 1095 O PRO A 71 -4.466 -9.704 -0.103 1.00 0.00 O ATOM 1096 CB PRO A 71 -4.045 -7.225 2.195 1.00 0.00 C ATOM 1097 CG PRO A 71 -4.590 -7.140 3.623 1.00 0.00 C ATOM 1098 CD PRO A 71 -6.109 -7.252 3.489 1.00 0.00 C ATOM 0 HA PRO A 71 -5.257 -7.491 0.432 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.098 -7.763 2.165 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.861 -6.233 1.782 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.191 -7.942 4.244 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.306 -6.200 4.096 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.531 -7.849 4.298 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.580 -6.270 3.538 1.00 0.00 H new ATOM 1106 N LYS A 72 -4.866 -10.310 2.025 1.00 0.00 N ATOM 1107 CA LYS A 72 -4.679 -11.735 1.810 1.00 0.00 C ATOM 1108 C LYS A 72 -5.754 -12.355 0.907 1.00 0.00 C ATOM 1109 O LYS A 72 -5.600 -13.508 0.510 1.00 0.00 O ATOM 1110 CB LYS A 72 -4.597 -12.448 3.169 1.00 0.00 C ATOM 1111 CG LYS A 72 -3.278 -12.132 3.894 1.00 0.00 C ATOM 1112 CD LYS A 72 -2.907 -13.140 4.996 1.00 0.00 C ATOM 1113 CE LYS A 72 -3.609 -12.915 6.345 1.00 0.00 C ATOM 1114 NZ LYS A 72 -5.064 -13.156 6.287 1.00 0.00 N ATOM 0 H LYS A 72 -5.077 -10.067 2.993 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.740 -11.871 1.273 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.438 -12.143 3.792 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.683 -13.525 3.022 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.472 -12.099 3.161 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.348 -11.138 4.335 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.143 -14.144 4.644 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.829 -13.103 5.154 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.167 -13.574 7.092 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.429 -11.892 6.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.412 -13.407 7.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.546 -12.295 5.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.261 -13.936 5.628 1.00 0.00 H new ATOM 1128 N LYS A 73 -6.833 -11.627 0.587 1.00 0.00 N ATOM 1129 CA LYS A 73 -7.815 -12.078 -0.385 1.00 0.00 C ATOM 1130 C LYS A 73 -7.439 -11.512 -1.754 1.00 0.00 C ATOM 1131 O LYS A 73 -7.335 -12.271 -2.715 1.00 0.00 O ATOM 1132 CB LYS A 73 -9.226 -11.693 0.083 1.00 0.00 C ATOM 1133 CG LYS A 73 -10.347 -12.537 -0.544 1.00 0.00 C ATOM 1134 CD LYS A 73 -10.761 -12.042 -1.940 1.00 0.00 C ATOM 1135 CE LYS A 73 -11.645 -13.061 -2.671 1.00 0.00 C ATOM 1136 NZ LYS A 73 -12.895 -13.360 -1.942 1.00 0.00 N ATOM 0 H LYS A 73 -7.041 -10.716 0.996 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.818 -13.164 -0.476 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.276 -11.790 1.168 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.401 -10.643 -0.152 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.018 -13.574 -0.615 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.216 -12.523 0.113 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.298 -11.098 -1.846 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.869 -11.844 -2.534 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.890 -12.678 -3.662 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.084 -13.984 -2.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.484 -14.001 -2.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.667 -13.814 -1.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.414 -12.476 -1.767 1.00 0.00 H new ATOM 1150 N TYR A 74 -7.234 -10.191 -1.852 1.00 0.00 N ATOM 1151 CA TYR A 74 -6.830 -9.539 -3.089 1.00 0.00 C ATOM 1152 C TYR A 74 -5.621 -10.226 -3.736 1.00 0.00 C ATOM 1153 O TYR A 74 -5.607 -10.444 -4.948 1.00 0.00 O ATOM 1154 CB TYR A 74 -6.516 -8.073 -2.781 1.00 0.00 C ATOM 1155 CG TYR A 74 -6.243 -7.235 -4.015 1.00 0.00 C ATOM 1156 CD1 TYR A 74 -7.306 -6.976 -4.892 1.00 0.00 C ATOM 1157 CD2 TYR A 74 -4.936 -6.845 -4.367 1.00 0.00 C ATOM 1158 CE1 TYR A 74 -7.064 -6.384 -6.140 1.00 0.00 C ATOM 1159 CE2 TYR A 74 -4.688 -6.268 -5.627 1.00 0.00 C ATOM 1160 CZ TYR A 74 -5.753 -6.074 -6.521 1.00 0.00 C ATOM 1161 OH TYR A 74 -5.507 -5.718 -7.811 1.00 0.00 O ATOM 0 H TYR A 74 -7.346 -9.549 -1.068 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.647 -9.610 -3.807 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.354 -7.638 -2.236 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.649 -8.027 -2.122 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.315 -7.233 -4.605 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.124 -6.989 -3.670 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.887 -6.168 -6.805 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.686 -5.977 -5.904 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.352 -5.500 -8.257 1.00 0.00 H new ATOM 1171 N ILE A 75 -4.601 -10.546 -2.932 1.00 0.00 N ATOM 1172 CA ILE A 75 -3.402 -11.252 -3.370 1.00 0.00 C ATOM 1173 C ILE A 75 -3.310 -12.588 -2.622 1.00 0.00 C ATOM 1174 O ILE A 75 -3.184 -12.587 -1.396 1.00 0.00 O ATOM 1175 CB ILE A 75 -2.171 -10.358 -3.145 1.00 0.00 C ATOM 1176 CG1 ILE A 75 -2.119 -9.321 -4.280 1.00 0.00 C ATOM 1177 CG2 ILE A 75 -0.867 -11.171 -3.175 1.00 0.00 C ATOM 1178 CD1 ILE A 75 -1.312 -8.079 -3.903 1.00 0.00 C ATOM 0 H ILE A 75 -4.590 -10.314 -1.939 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.446 -11.474 -4.436 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.260 -9.886 -2.167 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.681 -9.779 -5.167 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.134 -9.024 -4.543 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.019 -10.505 -3.012 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.891 -11.926 -2.390 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.765 -11.659 -4.144 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.308 -7.380 -4.739 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.764 -7.602 -3.034 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.288 -8.368 -3.667 1.00 0.00 H new ATOM 1190 N PRO A 76 -3.331 -13.733 -3.329 1.00 0.00 N ATOM 1191 CA PRO A 76 -3.307 -15.051 -2.709 1.00 0.00 C ATOM 1192 C PRO A 76 -1.887 -15.419 -2.263 1.00 0.00 C ATOM 1193 O PRO A 76 -1.286 -16.351 -2.790 1.00 0.00 O ATOM 1194 CB PRO A 76 -3.845 -15.994 -3.789 1.00 0.00 C ATOM 1195 CG PRO A 76 -3.345 -15.351 -5.081 1.00 0.00 C ATOM 1196 CD PRO A 76 -3.469 -13.859 -4.775 1.00 0.00 C ATOM 0 HA PRO A 76 -3.910 -15.104 -1.802 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.463 -17.008 -3.668 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -4.933 -16.058 -3.764 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.317 -15.636 -5.305 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.950 -15.641 -5.940 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -2.697 -13.289 -5.292 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.430 -13.470 -5.111 1.00 0.00 H new ATOM 1204 N GLY A 77 -1.354 -14.691 -1.279 1.00 0.00 N ATOM 1205 CA GLY A 77 -0.039 -14.946 -0.702 1.00 0.00 C ATOM 1206 C GLY A 77 0.787 -13.666 -0.656 1.00 0.00 C ATOM 1207 O GLY A 77 1.797 -13.540 -1.342 1.00 0.00 O ATOM 0 H GLY A 77 -1.834 -13.896 -0.857 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.150 -15.349 0.305 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.482 -15.700 -1.292 1.00 0.00 H new ATOM 1211 N THR A 78 0.354 -12.716 0.173 1.00 0.00 N ATOM 1212 CA THR A 78 1.063 -11.473 0.437 1.00 0.00 C ATOM 1213 C THR A 78 1.711 -11.582 1.817 1.00 0.00 C ATOM 1214 O THR A 78 1.092 -12.130 2.731 1.00 0.00 O ATOM 1215 CB THR A 78 0.077 -10.298 0.342 1.00 0.00 C ATOM 1216 OG1 THR A 78 0.743 -9.100 0.615 1.00 0.00 O ATOM 1217 CG2 THR A 78 -1.122 -10.392 1.285 1.00 0.00 C ATOM 0 H THR A 78 -0.522 -12.796 0.690 1.00 0.00 H new ATOM 0 HA THR A 78 1.848 -11.294 -0.298 1.00 0.00 H new ATOM 0 HB THR A 78 -0.311 -10.334 -0.676 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.242 -8.352 0.228 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.762 -9.520 1.148 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.689 -11.297 1.064 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.772 -10.426 2.317 1.00 0.00 H new ATOM 1225 N LYS A 79 2.935 -11.070 1.994 1.00 0.00 N ATOM 1226 CA LYS A 79 3.607 -11.102 3.296 1.00 0.00 C ATOM 1227 C LYS A 79 3.365 -9.792 4.050 1.00 0.00 C ATOM 1228 O LYS A 79 4.233 -9.299 4.767 1.00 0.00 O ATOM 1229 CB LYS A 79 5.095 -11.446 3.129 1.00 0.00 C ATOM 1230 CG LYS A 79 5.239 -12.825 2.471 1.00 0.00 C ATOM 1231 CD LYS A 79 6.699 -13.288 2.372 1.00 0.00 C ATOM 1232 CE LYS A 79 7.172 -13.977 3.662 1.00 0.00 C ATOM 1233 NZ LYS A 79 8.526 -14.554 3.514 1.00 0.00 N ATOM 0 H LYS A 79 3.479 -10.629 1.252 1.00 0.00 H new ATOM 0 HA LYS A 79 3.180 -11.896 3.909 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.587 -10.688 2.519 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.590 -11.443 4.100 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.669 -13.557 3.043 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.804 -12.793 1.472 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.805 -13.976 1.533 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.338 -12.430 2.164 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.172 -13.256 4.480 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.469 -14.765 3.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.809 -15.009 4.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.521 -15.260 2.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.202 -13.798 3.282 1.00 0.00 H new ATOM 1247 N MET A 80 2.161 -9.244 3.890 1.00 0.00 N ATOM 1248 CA MET A 80 1.787 -7.939 4.390 1.00 0.00 C ATOM 1249 C MET A 80 1.357 -7.954 5.858 1.00 0.00 C ATOM 1250 O MET A 80 1.441 -6.950 6.558 1.00 0.00 O ATOM 1251 CB MET A 80 0.749 -7.360 3.434 1.00 0.00 C ATOM 1252 CG MET A 80 0.165 -6.039 3.919 1.00 0.00 C ATOM 1253 SD MET A 80 0.247 -4.696 2.718 1.00 0.00 S ATOM 1254 CE MET A 80 -1.419 -3.998 2.872 1.00 0.00 C ATOM 0 H MET A 80 1.404 -9.715 3.394 1.00 0.00 H new ATOM 0 HA MET A 80 2.656 -7.281 4.406 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.207 -7.211 2.456 1.00 0.00 H new ATOM 0 HB3 MET A 80 -0.058 -8.081 3.302 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.877 -6.198 4.196 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.693 -5.734 4.823 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.486 -3.082 2.284 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.151 -4.718 2.506 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.624 -3.773 3.919 1.00 0.00 H new ATOM 1264 N ILE A 81 0.910 -9.110 6.333 1.00 0.00 N ATOM 1265 CA ILE A 81 0.426 -9.312 7.687 1.00 0.00 C ATOM 1266 C ILE A 81 -0.622 -8.256 8.046 1.00 0.00 C ATOM 1267 O ILE A 81 -0.413 -7.388 8.891 1.00 0.00 O ATOM 1268 CB ILE A 81 1.611 -9.368 8.667 1.00 0.00 C ATOM 1269 CG1 ILE A 81 2.756 -10.283 8.192 1.00 0.00 C ATOM 1270 CG2 ILE A 81 1.166 -9.756 10.087 1.00 0.00 C ATOM 1271 CD1 ILE A 81 2.381 -11.769 8.159 1.00 0.00 C ATOM 0 H ILE A 81 0.875 -9.957 5.766 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.082 -10.274 7.761 1.00 0.00 H new ATOM 0 HB ILE A 81 2.007 -8.353 8.694 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.067 -9.973 7.194 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.614 -10.148 8.850 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.034 -9.783 10.746 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.452 -9.021 10.458 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.696 -10.739 10.065 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.235 -12.352 7.815 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.098 -12.095 9.160 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.543 -11.918 7.479 1.00 0.00 H new ATOM 1283 N PHE A 82 -1.775 -8.334 7.381 1.00 0.00 N ATOM 1284 CA PHE A 82 -2.845 -7.372 7.545 1.00 0.00 C ATOM 1285 C PHE A 82 -4.158 -8.056 7.156 1.00 0.00 C ATOM 1286 O PHE A 82 -4.128 -9.135 6.557 1.00 0.00 O ATOM 1287 CB PHE A 82 -2.511 -6.128 6.711 1.00 0.00 C ATOM 1288 CG PHE A 82 -3.028 -4.838 7.295 1.00 0.00 C ATOM 1289 CD1 PHE A 82 -2.397 -4.299 8.432 1.00 0.00 C ATOM 1290 CD2 PHE A 82 -4.087 -4.148 6.684 1.00 0.00 C ATOM 1291 CE1 PHE A 82 -2.841 -3.081 8.972 1.00 0.00 C ATOM 1292 CE2 PHE A 82 -4.515 -2.924 7.212 1.00 0.00 C ATOM 1293 CZ PHE A 82 -3.915 -2.403 8.372 1.00 0.00 C ATOM 0 H PHE A 82 -1.986 -9.074 6.711 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.957 -7.032 8.575 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.429 -6.057 6.602 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.925 -6.253 5.710 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.571 -4.823 8.890 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.570 -4.560 5.810 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -2.359 -2.667 9.845 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.310 -2.377 6.726 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.280 -1.482 8.802 1.00 0.00 H new ATOM 1303 N ALA A 83 -5.298 -7.475 7.540 1.00 0.00 N ATOM 1304 CA ALA A 83 -6.608 -8.095 7.374 1.00 0.00 C ATOM 1305 C ALA A 83 -7.692 -7.020 7.368 1.00 0.00 C ATOM 1306 O ALA A 83 -8.168 -6.643 6.304 1.00 0.00 O ATOM 1307 CB ALA A 83 -6.834 -9.142 8.470 1.00 0.00 C ATOM 0 H ALA A 83 -5.334 -6.554 7.978 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.655 -8.613 6.416 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.814 -9.600 8.339 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.063 -9.910 8.404 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.786 -8.662 9.447 1.00 0.00 H new ATOM 1313 N GLY A 84 -8.069 -6.526 8.553 1.00 0.00 N ATOM 1314 CA GLY A 84 -8.939 -5.365 8.684 1.00 0.00 C ATOM 1315 C GLY A 84 -8.131 -4.092 8.433 1.00 0.00 C ATOM 1316 O GLY A 84 -7.041 -4.158 7.875 1.00 0.00 O ATOM 0 H GLY A 84 -7.776 -6.924 9.445 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.762 -5.432 7.973 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.380 -5.338 9.680 1.00 0.00 H new ATOM 1320 N ILE A 85 -8.638 -2.937 8.874 1.00 0.00 N ATOM 1321 CA ILE A 85 -7.985 -1.651 8.683 1.00 0.00 C ATOM 1322 C ILE A 85 -8.249 -0.803 9.932 1.00 0.00 C ATOM 1323 O ILE A 85 -7.314 -0.495 10.679 1.00 0.00 O ATOM 1324 CB ILE A 85 -8.437 -1.049 7.333 1.00 0.00 C ATOM 1325 CG1 ILE A 85 -7.762 0.293 7.030 1.00 0.00 C ATOM 1326 CG2 ILE A 85 -9.957 -0.878 7.176 1.00 0.00 C ATOM 1327 CD1 ILE A 85 -6.345 0.135 6.491 1.00 0.00 C ATOM 0 H ILE A 85 -9.523 -2.874 9.378 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.901 -1.721 8.597 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.116 -1.800 6.612 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.363 0.841 6.304 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.735 0.894 7.939 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.176 -0.449 6.198 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -10.443 -1.850 7.263 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -10.331 -0.214 7.955 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.918 1.119 6.295 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.732 -0.386 7.226 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.370 -0.441 5.566 1.00 0.00 H new ATOM 1339 N LYS A 86 -9.536 -0.515 10.186 1.00 0.00 N ATOM 1340 CA LYS A 86 -10.077 0.085 11.384 1.00 0.00 C ATOM 1341 C LYS A 86 -11.602 -0.108 11.389 1.00 0.00 C ATOM 1342 O LYS A 86 -12.118 -0.995 12.066 1.00 0.00 O ATOM 1343 CB LYS A 86 -9.680 1.560 11.435 1.00 0.00 C ATOM 1344 CG LYS A 86 -10.133 2.190 12.742 1.00 0.00 C ATOM 1345 CD LYS A 86 -9.498 3.580 12.899 1.00 0.00 C ATOM 1346 CE LYS A 86 -9.777 4.208 14.271 1.00 0.00 C ATOM 1347 NZ LYS A 86 -9.078 3.503 15.365 1.00 0.00 N ATOM 0 H LYS A 86 -10.265 -0.715 9.501 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.674 -0.393 12.277 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.599 1.655 11.335 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -10.126 2.092 10.595 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.220 2.273 12.759 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.849 1.554 13.580 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.421 3.501 12.753 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.878 4.239 12.118 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.467 5.253 14.259 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.850 4.196 14.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.200 4.031 16.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.476 2.548 15.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.065 3.433 15.141 1.00 0.00 H new ATOM 1361 N LYS A 87 -12.326 0.730 10.635 1.00 0.00 N ATOM 1362 CA LYS A 87 -13.784 0.758 10.560 1.00 0.00 C ATOM 1363 C LYS A 87 -14.201 1.773 9.493 1.00 0.00 C ATOM 1364 O LYS A 87 -14.713 2.839 9.816 1.00 0.00 O ATOM 1365 CB LYS A 87 -14.395 1.104 11.933 1.00 0.00 C ATOM 1366 CG LYS A 87 -15.933 1.067 11.892 1.00 0.00 C ATOM 1367 CD LYS A 87 -16.564 0.957 13.289 1.00 0.00 C ATOM 1368 CE LYS A 87 -16.805 -0.494 13.738 1.00 0.00 C ATOM 1369 NZ LYS A 87 -15.561 -1.282 13.868 1.00 0.00 N ATOM 0 H LYS A 87 -11.890 1.433 10.039 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.158 -0.227 10.282 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.033 0.399 12.681 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.062 2.095 12.241 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.301 1.969 11.402 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.255 0.221 11.285 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.915 1.450 14.013 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.513 1.493 13.294 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.325 -0.489 14.696 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -17.464 -0.984 13.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.747 -2.134 14.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -15.227 -1.561 12.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -14.833 -0.706 14.337 1.00 0.00 H new ATOM 1383 N LYS A 88 -13.966 1.451 8.218 1.00 0.00 N ATOM 1384 CA LYS A 88 -14.308 2.289 7.069 1.00 0.00 C ATOM 1385 C LYS A 88 -13.494 3.591 7.001 1.00 0.00 C ATOM 1386 O LYS A 88 -12.772 3.788 6.032 1.00 0.00 O ATOM 1387 CB LYS A 88 -15.829 2.517 6.940 1.00 0.00 C ATOM 1388 CG LYS A 88 -16.399 1.757 5.733 1.00 0.00 C ATOM 1389 CD LYS A 88 -17.924 1.930 5.656 1.00 0.00 C ATOM 1390 CE LYS A 88 -18.503 1.426 4.324 1.00 0.00 C ATOM 1391 NZ LYS A 88 -18.244 2.358 3.202 1.00 0.00 N ATOM 0 H LYS A 88 -13.519 0.574 7.951 1.00 0.00 H new ATOM 0 HA LYS A 88 -14.010 1.723 6.186 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -16.328 2.187 7.851 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -16.033 3.582 6.833 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -15.939 2.124 4.815 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -16.151 0.699 5.813 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -18.391 1.390 6.480 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -18.175 2.983 5.783 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -18.072 0.453 4.090 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -19.578 1.281 4.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -18.655 1.972 2.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -18.677 3.280 3.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -17.218 2.477 3.079 1.00 0.00 H new ATOM 1405 N THR A 89 -13.581 4.463 8.008 1.00 0.00 N ATOM 1406 CA THR A 89 -12.874 5.733 8.094 1.00 0.00 C ATOM 1407 C THR A 89 -11.424 5.605 7.609 1.00 0.00 C ATOM 1408 O THR A 89 -11.045 6.231 6.621 1.00 0.00 O ATOM 1409 CB THR A 89 -12.986 6.226 9.544 1.00 0.00 C ATOM 1410 OG1 THR A 89 -14.313 6.020 9.990 1.00 0.00 O ATOM 1411 CG2 THR A 89 -12.637 7.704 9.707 1.00 0.00 C ATOM 0 H THR A 89 -14.174 4.291 8.820 1.00 0.00 H new ATOM 0 HA THR A 89 -13.324 6.472 7.431 1.00 0.00 H new ATOM 0 HB THR A 89 -12.266 5.659 10.135 1.00 0.00 H new ATOM 0 HG1 THR A 89 -14.399 6.329 10.916 1.00 0.00 H new ATOM 0 HG21 THR A 89 -12.736 7.988 10.755 1.00 0.00 H new ATOM 0 HG22 THR A 89 -11.611 7.874 9.381 1.00 0.00 H new ATOM 0 HG23 THR A 89 -13.314 8.307 9.102 1.00 0.00 H new ATOM 1419 N GLU A 90 -10.645 4.726 8.250 1.00 0.00 N ATOM 1420 CA GLU A 90 -9.257 4.485 7.880 1.00 0.00 C ATOM 1421 C GLU A 90 -9.124 4.030 6.429 1.00 0.00 C ATOM 1422 O GLU A 90 -8.239 4.481 5.709 1.00 0.00 O ATOM 1423 CB GLU A 90 -8.623 3.469 8.826 1.00 0.00 C ATOM 1424 CG GLU A 90 -7.106 3.566 8.658 1.00 0.00 C ATOM 1425 CD GLU A 90 -6.337 2.623 9.552 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -6.471 2.683 10.794 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -5.560 1.815 9.015 1.00 0.00 O ATOM 0 H GLU A 90 -10.965 4.165 9.039 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.723 5.431 7.971 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.908 3.676 9.857 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.970 2.462 8.595 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.850 3.358 7.619 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.791 4.588 8.866 1.00 0.00 H new ATOM 1434 N ARG A 91 -10.025 3.148 6.001 1.00 0.00 N ATOM 1435 CA ARG A 91 -10.064 2.648 4.633 1.00 0.00 C ATOM 1436 C ARG A 91 -10.168 3.787 3.618 1.00 0.00 C ATOM 1437 O ARG A 91 -9.836 3.596 2.455 1.00 0.00 O ATOM 1438 CB ARG A 91 -11.243 1.679 4.461 1.00 0.00 C ATOM 1439 CG ARG A 91 -11.025 0.710 3.293 1.00 0.00 C ATOM 1440 CD ARG A 91 -12.368 0.311 2.682 1.00 0.00 C ATOM 1441 NE ARG A 91 -13.232 -0.375 3.654 1.00 0.00 N ATOM 1442 CZ ARG A 91 -14.218 -1.199 3.275 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -14.650 -1.159 2.012 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -14.733 -2.077 4.139 1.00 0.00 N ATOM 0 H ARG A 91 -10.753 2.759 6.600 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.129 2.120 4.444 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -11.383 1.112 5.381 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -12.158 2.247 4.294 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.397 1.178 2.535 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.497 -0.178 3.641 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.876 1.201 2.310 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.197 -0.341 1.825 1.00 0.00 H new ATOM 0 HE ARG A 91 -13.076 -0.218 4.650 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -14.230 -0.507 1.350 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -15.400 -1.781 1.710 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -14.376 -2.123 5.093 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -15.484 -2.702 3.845 1.00 0.00 H new ATOM 1458 N GLU A 92 -10.646 4.958 4.036 1.00 0.00 N ATOM 1459 CA GLU A 92 -10.777 6.124 3.205 1.00 0.00 C ATOM 1460 C GLU A 92 -9.554 7.019 3.466 1.00 0.00 C ATOM 1461 O GLU A 92 -8.917 7.486 2.531 1.00 0.00 O ATOM 1462 CB GLU A 92 -12.125 6.748 3.593 1.00 0.00 C ATOM 1463 CG GLU A 92 -12.788 7.517 2.448 1.00 0.00 C ATOM 1464 CD GLU A 92 -13.525 6.563 1.513 1.00 0.00 C ATOM 1465 OE1 GLU A 92 -14.495 5.937 1.997 1.00 0.00 O ATOM 1466 OE2 GLU A 92 -13.094 6.468 0.347 1.00 0.00 O ATOM 0 H GLU A 92 -10.959 5.112 4.995 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.786 5.934 2.132 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.799 5.960 3.930 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.976 7.423 4.436 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.486 8.250 2.852 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.033 8.070 1.890 1.00 0.00 H new ATOM 1473 N ASP A 93 -9.220 7.262 4.742 1.00 0.00 N ATOM 1474 CA ASP A 93 -8.136 8.132 5.198 1.00 0.00 C ATOM 1475 C ASP A 93 -6.814 7.723 4.555 1.00 0.00 C ATOM 1476 O ASP A 93 -6.175 8.513 3.869 1.00 0.00 O ATOM 1477 CB ASP A 93 -7.997 8.125 6.733 1.00 0.00 C ATOM 1478 CG ASP A 93 -9.194 8.605 7.545 1.00 0.00 C ATOM 1479 OD1 ASP A 93 -9.950 9.469 7.045 1.00 0.00 O ATOM 1480 OD2 ASP A 93 -9.327 8.122 8.690 1.00 0.00 O ATOM 0 H ASP A 93 -9.725 6.835 5.518 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.388 9.147 4.890 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.763 7.107 7.046 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.140 8.745 6.997 1.00 0.00 H new ATOM 1485 N LEU A 94 -6.392 6.479 4.762 1.00 0.00 N ATOM 1486 CA LEU A 94 -5.195 5.911 4.154 1.00 0.00 C ATOM 1487 C LEU A 94 -5.172 6.152 2.647 1.00 0.00 C ATOM 1488 O LEU A 94 -4.195 6.657 2.090 1.00 0.00 O ATOM 1489 CB LEU A 94 -5.192 4.406 4.439 1.00 0.00 C ATOM 1490 CG LEU A 94 -4.585 4.038 5.799 1.00 0.00 C ATOM 1491 CD1 LEU A 94 -3.127 3.703 5.559 1.00 0.00 C ATOM 1492 CD2 LEU A 94 -4.661 5.097 6.901 1.00 0.00 C ATOM 0 H LEU A 94 -6.884 5.824 5.370 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.311 6.389 4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.216 4.035 4.395 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.635 3.897 3.652 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.186 3.211 6.177 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.655 3.434 6.504 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.056 2.864 4.867 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.620 4.569 5.133 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.197 4.711 7.809 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.135 5.996 6.579 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.705 5.339 7.101 1.00 0.00 H new ATOM 1504 N ILE A 95 -6.277 5.805 1.990 1.00 0.00 N ATOM 1505 CA ILE A 95 -6.405 5.873 0.545 1.00 0.00 C ATOM 1506 C ILE A 95 -6.654 7.331 0.115 1.00 0.00 C ATOM 1507 O ILE A 95 -6.784 7.607 -1.074 1.00 0.00 O ATOM 1508 CB ILE A 95 -7.500 4.879 0.096 1.00 0.00 C ATOM 1509 CG1 ILE A 95 -7.363 3.512 0.804 1.00 0.00 C ATOM 1510 CG2 ILE A 95 -7.561 4.628 -1.425 1.00 0.00 C ATOM 1511 CD1 ILE A 95 -6.002 2.832 0.647 1.00 0.00 C ATOM 0 H ILE A 95 -7.117 5.465 2.458 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.485 5.571 0.045 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.427 5.373 0.386 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.562 3.649 1.867 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.132 2.843 0.419 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -8.358 3.918 -1.645 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.759 5.567 -1.941 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.609 4.221 -1.765 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.007 1.881 1.179 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.803 2.655 -0.410 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.224 3.475 1.060 1.00 0.00 H new ATOM 1523 N ALA A 96 -6.665 8.288 1.053 1.00 0.00 N ATOM 1524 CA ALA A 96 -6.712 9.703 0.736 1.00 0.00 C ATOM 1525 C ALA A 96 -5.279 10.210 0.791 1.00 0.00 C ATOM 1526 O ALA A 96 -4.803 10.828 -0.160 1.00 0.00 O ATOM 1527 CB ALA A 96 -7.636 10.432 1.713 1.00 0.00 C ATOM 0 H ALA A 96 -6.641 8.091 2.054 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.124 9.887 -0.256 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.663 11.493 1.465 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.641 10.017 1.642 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.263 10.306 2.729 1.00 0.00 H new ATOM 1533 N TYR A 97 -4.564 9.885 1.875 1.00 0.00 N ATOM 1534 CA TYR A 97 -3.159 10.208 1.993 1.00 0.00 C ATOM 1535 C TYR A 97 -2.385 9.684 0.797 1.00 0.00 C ATOM 1536 O TYR A 97 -1.740 10.465 0.113 1.00 0.00 O ATOM 1537 CB TYR A 97 -2.523 9.654 3.270 1.00 0.00 C ATOM 1538 CG TYR A 97 -0.996 9.784 3.288 1.00 0.00 C ATOM 1539 CD1 TYR A 97 -0.384 10.933 2.748 1.00 0.00 C ATOM 1540 CD2 TYR A 97 -0.176 8.757 3.794 1.00 0.00 C ATOM 1541 CE1 TYR A 97 0.996 11.144 2.883 1.00 0.00 C ATOM 1542 CE2 TYR A 97 1.221 8.931 3.844 1.00 0.00 C ATOM 1543 CZ TYR A 97 1.801 10.141 3.435 1.00 0.00 C ATOM 1544 OH TYR A 97 3.123 10.378 3.642 1.00 0.00 O ATOM 0 H TYR A 97 -4.950 9.395 2.682 1.00 0.00 H new ATOM 0 HA TYR A 97 -3.105 11.296 2.034 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.936 10.179 4.131 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.793 8.603 3.377 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.986 11.661 2.223 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.618 7.836 4.144 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.436 12.077 2.562 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.849 8.128 4.199 1.00 0.00 H new ATOM 0 HH TYR A 97 3.498 9.670 4.206 1.00 0.00 H new ATOM 1554 N LEU A 98 -2.386 8.374 0.555 1.00 0.00 N ATOM 1555 CA LEU A 98 -1.476 7.825 -0.449 1.00 0.00 C ATOM 1556 C LEU A 98 -1.751 8.394 -1.839 1.00 0.00 C ATOM 1557 O LEU A 98 -0.843 8.499 -2.667 1.00 0.00 O ATOM 1558 CB LEU A 98 -1.495 6.299 -0.429 1.00 0.00 C ATOM 1559 CG LEU A 98 -1.088 5.754 0.945 1.00 0.00 C ATOM 1560 CD1 LEU A 98 -1.178 4.230 0.903 1.00 0.00 C ATOM 1561 CD2 LEU A 98 0.323 6.173 1.378 1.00 0.00 C ATOM 0 H LEU A 98 -2.985 7.693 1.022 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.465 8.137 -0.188 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.493 5.942 -0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.816 5.915 -1.190 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.771 6.178 1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.892 3.822 1.872 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.201 3.932 0.671 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.506 3.847 0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.543 5.751 2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.050 5.805 0.654 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.380 7.260 1.429 1.00 0.00 H new ATOM 1573 N LYS A 99 -2.989 8.843 -2.052 1.00 0.00 N ATOM 1574 CA LYS A 99 -3.428 9.421 -3.312 1.00 0.00 C ATOM 1575 C LYS A 99 -2.754 10.768 -3.586 1.00 0.00 C ATOM 1576 O LYS A 99 -2.788 11.252 -4.715 1.00 0.00 O ATOM 1577 CB LYS A 99 -4.950 9.557 -3.272 1.00 0.00 C ATOM 1578 CG LYS A 99 -5.561 9.496 -4.675 1.00 0.00 C ATOM 1579 CD LYS A 99 -7.085 9.407 -4.574 1.00 0.00 C ATOM 1580 CE LYS A 99 -7.745 10.761 -4.279 1.00 0.00 C ATOM 1581 NZ LYS A 99 -9.173 10.587 -3.951 1.00 0.00 N ATOM 0 H LYS A 99 -3.720 8.813 -1.342 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.137 8.765 -4.132 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -5.370 8.761 -2.657 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.219 10.501 -2.799 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.276 10.381 -5.244 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.172 8.632 -5.214 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.483 9.010 -5.508 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.351 8.700 -3.788 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.233 11.247 -3.448 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.643 11.417 -5.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.739 11.276 -4.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -9.472 9.623 -4.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.316 10.739 -2.932 1.00 0.00 H new ATOM 1595 N LYS A 100 -2.148 11.364 -2.556 1.00 0.00 N ATOM 1596 CA LYS A 100 -1.350 12.576 -2.624 1.00 0.00 C ATOM 1597 C LYS A 100 0.118 12.281 -2.273 1.00 0.00 C ATOM 1598 O LYS A 100 0.997 12.989 -2.744 1.00 0.00 O ATOM 1599 CB LYS A 100 -2.020 13.688 -1.789 1.00 0.00 C ATOM 1600 CG LYS A 100 -1.547 13.798 -0.334 1.00 0.00 C ATOM 1601 CD LYS A 100 -0.418 14.833 -0.215 1.00 0.00 C ATOM 1602 CE LYS A 100 0.518 14.465 0.937 1.00 0.00 C ATOM 1603 NZ LYS A 100 1.579 15.472 1.131 1.00 0.00 N ATOM 0 H LYS A 100 -2.208 10.991 -1.609 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.314 12.958 -3.644 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -1.845 14.644 -2.283 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.097 13.520 -1.791 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.381 14.085 0.306 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -1.197 12.827 0.016 1.00 0.00 H new ATOM 0 HD2 LYS A 100 0.143 14.879 -1.148 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -0.840 15.824 -0.048 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -0.060 14.366 1.856 1.00 0.00 H new ATOM 0 HE3 LYS A 100 0.972 13.494 0.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 2.394 15.031 1.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 1.875 15.847 0.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 1.217 16.249 1.720 1.00 0.00 H new ATOM 1617 N ALA A 101 0.416 11.230 -1.495 1.00 0.00 N ATOM 1618 CA ALA A 101 1.782 10.815 -1.179 1.00 0.00 C ATOM 1619 C ALA A 101 2.515 10.405 -2.453 1.00 0.00 C ATOM 1620 O ALA A 101 3.704 10.666 -2.609 1.00 0.00 O ATOM 1621 CB ALA A 101 1.790 9.643 -0.195 1.00 0.00 C ATOM 0 H ALA A 101 -0.296 10.640 -1.065 1.00 0.00 H new ATOM 0 HA ALA A 101 2.289 11.663 -0.718 1.00 0.00 H new ATOM 0 HB1 ALA A 101 2.819 9.356 0.021 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.294 9.940 0.729 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.262 8.796 -0.633 1.00 0.00 H new ATOM 1627 N THR A 102 1.775 9.780 -3.375 1.00 0.00 N ATOM 1628 CA THR A 102 2.211 9.532 -4.744 1.00 0.00 C ATOM 1629 C THR A 102 2.909 10.757 -5.353 1.00 0.00 C ATOM 1630 O THR A 102 3.827 10.610 -6.159 1.00 0.00 O ATOM 1631 CB THR A 102 0.991 9.105 -5.577 1.00 0.00 C ATOM 1632 OG1 THR A 102 1.372 8.688 -6.868 1.00 0.00 O ATOM 1633 CG2 THR A 102 -0.052 10.214 -5.729 1.00 0.00 C ATOM 0 H THR A 102 0.838 9.427 -3.182 1.00 0.00 H new ATOM 0 HA THR A 102 2.951 8.732 -4.745 1.00 0.00 H new ATOM 0 HB THR A 102 0.544 8.279 -5.023 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.649 7.748 -6.840 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.887 9.849 -6.327 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.413 10.511 -4.744 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.400 11.073 -6.224 1.00 0.00 H new ATOM 1641 N ASN A 103 2.457 11.960 -4.978 1.00 0.00 N ATOM 1642 CA ASN A 103 2.953 13.226 -5.486 1.00 0.00 C ATOM 1643 C ASN A 103 3.080 14.226 -4.330 1.00 0.00 C ATOM 1644 O ASN A 103 2.373 15.234 -4.310 1.00 0.00 O ATOM 1645 CB ASN A 103 1.978 13.709 -6.569 1.00 0.00 C ATOM 1646 CG ASN A 103 2.416 15.015 -7.227 1.00 0.00 C ATOM 1647 OD1 ASN A 103 3.598 15.330 -7.293 1.00 0.00 O ATOM 1648 ND2 ASN A 103 1.461 15.774 -7.759 1.00 0.00 N ATOM 0 H ASN A 103 1.712 12.073 -4.290 1.00 0.00 H new ATOM 0 HA ASN A 103 3.944 13.121 -5.927 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.882 12.938 -7.333 1.00 0.00 H new ATOM 0 HB3 ASN A 103 0.991 13.845 -6.127 1.00 0.00 H new ATOM 0 HD21 ASN A 103 1.706 16.642 -8.236 1.00 0.00 H new ATOM 0 HD22 ASN A 103 0.484 15.488 -7.690 1.00 0.00 H new ATOM 1655 N GLU A 104 3.969 13.938 -3.369 1.00 0.00 N ATOM 1656 CA GLU A 104 4.450 14.913 -2.402 1.00 0.00 C ATOM 1657 C GLU A 104 5.960 15.071 -2.582 1.00 0.00 C ATOM 1658 O GLU A 104 6.562 14.150 -3.185 1.00 0.00 O ATOM 1659 CB GLU A 104 4.027 14.565 -0.960 1.00 0.00 C ATOM 1660 CG GLU A 104 4.727 13.389 -0.251 1.00 0.00 C ATOM 1661 CD GLU A 104 4.519 13.431 1.263 1.00 0.00 C ATOM 1662 OE1 GLU A 104 3.385 13.767 1.675 1.00 0.00 O ATOM 1663 OE2 GLU A 104 5.490 13.170 1.998 1.00 0.00 O ATOM 1664 OXT GLU A 104 6.477 16.121 -2.142 1.00 0.00 O ATOM 0 H GLU A 104 4.374 13.010 -3.247 1.00 0.00 H new ATOM 0 HA GLU A 104 3.983 15.880 -2.588 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.173 15.455 -0.348 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.957 14.357 -0.970 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.343 12.448 -0.644 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.794 13.415 -0.472 1.00 0.00 H new TER 1671 GLU A 104 HETATM 1672 FE HEC A 105 1.949 -3.024 2.972 1.00 0.00 FE HETATM 1673 CHA HEC A 105 2.846 -4.238 -0.208 1.00 0.00 C HETATM 1674 CHB HEC A 105 0.065 -0.577 1.563 1.00 0.00 C HETATM 1675 CHC HEC A 105 1.050 -2.085 6.146 1.00 0.00 C HETATM 1676 CHD HEC A 105 4.113 -5.411 4.386 1.00 0.00 C HETATM 1677 NA HEC A 105 1.499 -2.521 1.012 1.00 0.00 N HETATM 1678 C1A HEC A 105 1.992 -3.129 -0.120 1.00 0.00 C HETATM 1679 C2A HEC A 105 1.511 -2.371 -1.256 1.00 0.00 C HETATM 1680 C3A HEC A 105 0.663 -1.393 -0.767 1.00 0.00 C HETATM 1681 C4A HEC A 105 0.724 -1.449 0.681 1.00 0.00 C HETATM 1682 CMA HEC A 105 -0.268 -0.524 -1.589 1.00 0.00 C HETATM 1683 CAA HEC A 105 1.907 -2.579 -2.711 1.00 0.00 C HETATM 1684 CBA HEC A 105 3.403 -2.390 -3.008 1.00 0.00 C HETATM 1685 CGA HEC A 105 3.677 -1.976 -4.457 1.00 0.00 C HETATM 1686 O1A HEC A 105 4.058 -0.800 -4.638 1.00 0.00 O HETATM 1687 O2A HEC A 105 3.502 -2.826 -5.361 1.00 0.00 O HETATM 1688 NB HEC A 105 0.793 -1.591 3.722 1.00 0.00 N HETATM 1689 C1B HEC A 105 0.114 -0.692 2.967 1.00 0.00 C HETATM 1690 C2B HEC A 105 -0.545 0.202 3.885 1.00 0.00 C HETATM 1691 C3B HEC A 105 -0.349 -0.271 5.169 1.00 0.00 C HETATM 1692 C4B HEC A 105 0.551 -1.385 5.054 1.00 0.00 C HETATM 1693 CMB HEC A 105 -1.151 1.514 3.491 1.00 0.00 C HETATM 1694 CAB HEC A 105 -0.997 0.191 6.466 1.00 0.00 C HETATM 1695 CBB HEC A 105 -2.525 0.178 6.401 1.00 0.00 C HETATM 1696 NC HEC A 105 2.474 -3.637 4.904 1.00 0.00 N HETATM 1697 C1C HEC A 105 1.975 -3.090 6.031 1.00 0.00 C HETATM 1698 C2C HEC A 105 2.595 -3.724 7.163 1.00 0.00 C HETATM 1699 C3C HEC A 105 3.554 -4.569 6.664 1.00 0.00 C HETATM 1700 C4C HEC A 105 3.393 -4.584 5.230 1.00 0.00 C HETATM 1701 CMC HEC A 105 2.288 -3.427 8.609 1.00 0.00 C HETATM 1702 CAC HEC A 105 4.731 -5.147 7.414 1.00 0.00 C HETATM 1703 CBC HEC A 105 4.394 -6.342 8.306 1.00 0.00 C HETATM 1704 ND HEC A 105 3.206 -4.599 2.224 1.00 0.00 N HETATM 1705 C1D HEC A 105 3.978 -5.415 3.004 1.00 0.00 C HETATM 1706 C2D HEC A 105 4.660 -6.340 2.133 1.00 0.00 C HETATM 1707 C3D HEC A 105 4.308 -6.024 0.847 1.00 0.00 C HETATM 1708 C4D HEC A 105 3.389 -4.901 0.904 1.00 0.00 C HETATM 1709 CMD HEC A 105 5.589 -7.463 2.528 1.00 0.00 C HETATM 1710 CAD HEC A 105 4.848 -6.721 -0.379 1.00 0.00 C HETATM 1711 CBD HEC A 105 3.765 -7.306 -1.280 1.00 0.00 C HETATM 1712 CGD HEC A 105 3.325 -8.725 -0.952 1.00 0.00 C HETATM 1713 O1D HEC A 105 3.932 -9.399 -0.087 1.00 0.00 O HETATM 1714 O2D HEC A 105 2.304 -9.091 -1.572 1.00 0.00 O HETATM 0 HMD3 HEC A 105 6.442 -7.056 3.070 1.00 0.00 H new HETATM 0 HMD2 HEC A 105 5.057 -8.168 3.166 1.00 0.00 H new HETATM 0 HMD1 HEC A 105 5.939 -7.977 1.633 1.00 0.00 H new HETATM 0 HMC3 HEC A 105 2.499 -2.378 8.818 1.00 0.00 H new HETATM 0 HMC2 HEC A 105 1.236 -3.632 8.807 1.00 0.00 H new HETATM 0 HMC1 HEC A 105 2.907 -4.056 9.249 1.00 0.00 H new HETATM 0 HMB3 HEC A 105 -0.380 2.159 3.069 1.00 0.00 H new HETATM 0 HMB2 HEC A 105 -1.930 1.346 2.748 1.00 0.00 H new HETATM 0 HMB1 HEC A 105 -1.584 1.993 4.369 1.00 0.00 H new HETATM 0 HMA3 HEC A 105 0.314 0.056 -2.306 1.00 0.00 H new HETATM 0 HMA2 HEC A 105 -0.978 -1.155 -2.124 1.00 0.00 H new HETATM 0 HMA1 HEC A 105 -0.810 0.154 -0.929 1.00 0.00 H new HETATM 0 HBD2 HEC A 105 2.891 -6.656 -1.235 1.00 0.00 H new HETATM 0 HBD1 HEC A 105 4.125 -7.286 -2.309 1.00 0.00 H new HETATM 0 HBC3 HEC A 105 3.660 -6.042 9.054 1.00 0.00 H new HETATM 0 HBC2 HEC A 105 3.983 -7.147 7.696 1.00 0.00 H new HETATM 0 HBC1 HEC A 105 5.299 -6.690 8.804 1.00 0.00 H new HETATM 0 HBB3 HEC A 105 -2.861 0.843 5.605 1.00 0.00 H new HETATM 0 HBB2 HEC A 105 -2.872 -0.835 6.198 1.00 0.00 H new HETATM 0 HBB1 HEC A 105 -2.933 0.517 7.353 1.00 0.00 H new HETATM 0 HBA2 HEC A 105 3.808 -1.633 -2.337 1.00 0.00 H new HETATM 0 HBA1 HEC A 105 3.930 -3.320 -2.796 1.00 0.00 H new HETATM 0 HAD2 HEC A 105 5.444 -6.013 -0.955 1.00 0.00 H new HETATM 0 HAD1 HEC A 105 5.518 -7.521 -0.065 1.00 0.00 H new HETATM 0 HAA2 HEC A 105 1.616 -3.586 -3.011 1.00 0.00 H new HETATM 0 HAA1 HEC A 105 1.338 -1.885 -3.330 1.00 0.00 H new HETATM 0 HHD HEC A 105 4.829 -6.101 4.833 1.00 0.00 H new HETATM 0 HHC HEC A 105 0.689 -1.823 7.140 1.00 0.00 H new HETATM 0 HHB HEC A 105 -0.520 0.238 1.136 1.00 0.00 H new HETATM 0 HHA HEC A 105 3.104 -4.608 -1.200 1.00 0.00 H new HETATM 0 H2D HEC A 105 1.508 -8.899 -1.034 1.00 0.00 H new HETATM 0 H2A HEC A 105 4.346 -3.290 -5.541 1.00 0.00 H new