USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 618 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 MET CE :methyl 179:sc= -0.703 (180deg=-0.704) USER MOD Set 1.2: A 15 MET CE :methyl -170:sc= -0.013 (180deg=-0.277) USER MOD Single : A 1 MET N :NH3+ -158:sc= 0.94 (180deg=0.188) USER MOD Single : A 7 ASN : amide:sc= 0.607 K(o=0.61,f=-9.1!) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 165:sc= 1.26 (180deg=1.06) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -23:sc= 0.0556 USER MOD Single : A 17 TYR OH : rot 97:sc= 0.0641 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 1.71 K(o=1.7,f=0) USER MOD Single : A 37 SER OG : rot -75:sc= 1.13 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -0.0736 X(o=-0.074,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 65 GLN : amide:sc= -0.0427 X(o=-0.043,f=-0.012) USER MOD Single : A 69 LYS NZ :NH3+ -175:sc= 1.2 (180deg=1.16) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.618 USER MOD Single : A 77 LYS NZ :NH3+ 139:sc= 2.14 (180deg=1.12) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.947 0.856 -4.126 1.00 0.00 N ATOM 2 CA MET A 1 5.191 -0.282 -4.725 1.00 0.00 C ATOM 3 C MET A 1 3.893 0.202 -5.387 1.00 0.00 C ATOM 4 O MET A 1 3.428 1.312 -5.129 1.00 0.00 O ATOM 5 CB MET A 1 4.978 -1.470 -3.754 1.00 0.00 C ATOM 6 CG MET A 1 3.891 -1.281 -2.685 1.00 0.00 C ATOM 7 SD MET A 1 3.871 -2.540 -1.379 1.00 0.00 S ATOM 8 CE MET A 1 3.392 -3.991 -2.339 1.00 0.00 C ATOM 0 H1 MET A 1 6.948 0.593 -4.025 1.00 0.00 H new ATOM 0 H2 MET A 1 5.869 1.689 -4.744 1.00 0.00 H new ATOM 0 H3 MET A 1 5.552 1.081 -3.191 1.00 0.00 H new ATOM 0 HA MET A 1 5.820 -0.693 -5.514 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.731 -2.354 -4.342 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.923 -1.676 -3.251 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.023 -0.303 -2.223 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.918 -1.273 -3.176 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.351 -4.862 -1.685 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.411 -3.825 -2.785 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.124 -4.164 -3.128 1.00 0.00 H new ATOM 20 N GLU A 2 3.318 -0.622 -6.263 1.00 0.00 N ATOM 21 CA GLU A 2 2.488 -0.178 -7.378 1.00 0.00 C ATOM 22 C GLU A 2 1.170 -0.954 -7.289 1.00 0.00 C ATOM 23 O GLU A 2 1.024 -2.003 -7.912 1.00 0.00 O ATOM 24 CB GLU A 2 3.304 -0.402 -8.679 1.00 0.00 C ATOM 25 CG GLU A 2 3.959 0.876 -9.231 1.00 0.00 C ATOM 26 CD GLU A 2 4.891 1.595 -8.232 1.00 0.00 C ATOM 27 OE1 GLU A 2 5.806 0.956 -7.659 1.00 0.00 O ATOM 28 OE2 GLU A 2 4.710 2.817 -8.017 1.00 0.00 O ATOM 0 H GLU A 2 3.419 -1.636 -6.215 1.00 0.00 H new ATOM 0 HA GLU A 2 2.228 0.880 -7.360 1.00 0.00 H new ATOM 0 HB2 GLU A 2 4.080 -1.143 -8.487 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.647 -0.820 -9.441 1.00 0.00 H new ATOM 0 HG2 GLU A 2 4.530 0.621 -10.124 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.175 1.567 -9.541 1.00 0.00 H new ATOM 35 N ILE A 3 0.267 -0.515 -6.403 1.00 0.00 N ATOM 36 CA ILE A 3 -1.010 -1.177 -6.113 1.00 0.00 C ATOM 37 C ILE A 3 -2.003 -0.924 -7.265 1.00 0.00 C ATOM 38 O ILE A 3 -1.968 0.135 -7.897 1.00 0.00 O ATOM 39 CB ILE A 3 -1.576 -0.679 -4.759 1.00 0.00 C ATOM 40 CG1 ILE A 3 -0.553 -0.738 -3.605 1.00 0.00 C ATOM 41 CG2 ILE A 3 -2.837 -1.462 -4.334 1.00 0.00 C ATOM 42 CD1 ILE A 3 0.078 -2.103 -3.308 1.00 0.00 C ATOM 0 H ILE A 3 0.409 0.333 -5.854 1.00 0.00 H new ATOM 0 HA ILE A 3 -0.850 -2.252 -6.031 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.831 0.365 -4.939 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.249 -0.034 -3.826 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.044 -0.386 -2.698 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.199 -1.079 -3.380 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.612 -1.342 -5.091 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.591 -2.519 -4.231 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.777 -2.008 -2.477 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.704 -2.816 -3.045 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.610 -2.458 -4.191 1.00 0.00 H new ATOM 54 N GLU A 4 -2.945 -1.849 -7.476 1.00 0.00 N ATOM 55 CA GLU A 4 -4.117 -1.713 -8.322 1.00 0.00 C ATOM 56 C GLU A 4 -5.296 -2.418 -7.638 1.00 0.00 C ATOM 57 O GLU A 4 -5.124 -3.455 -6.990 1.00 0.00 O ATOM 58 CB GLU A 4 -3.812 -2.378 -9.659 1.00 0.00 C ATOM 59 CG GLU A 4 -4.929 -2.184 -10.676 1.00 0.00 C ATOM 60 CD GLU A 4 -5.003 -0.742 -11.214 1.00 0.00 C ATOM 61 OE1 GLU A 4 -5.715 0.089 -10.601 1.00 0.00 O ATOM 62 OE2 GLU A 4 -4.372 -0.438 -12.255 1.00 0.00 O ATOM 0 H GLU A 4 -2.899 -2.765 -7.030 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.370 -0.665 -8.482 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.885 -1.970 -10.061 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.649 -3.444 -9.502 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.779 -2.871 -11.509 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.882 -2.445 -10.216 1.00 0.00 H new ATOM 69 N ARG A 5 -6.513 -1.918 -7.843 1.00 0.00 N ATOM 70 CA ARG A 5 -7.737 -2.462 -7.270 1.00 0.00 C ATOM 71 C ARG A 5 -8.613 -2.893 -8.447 1.00 0.00 C ATOM 72 O ARG A 5 -9.170 -2.045 -9.144 1.00 0.00 O ATOM 73 CB ARG A 5 -8.370 -1.389 -6.367 1.00 0.00 C ATOM 74 CG ARG A 5 -9.019 -1.986 -5.119 1.00 0.00 C ATOM 75 CD ARG A 5 -10.241 -2.875 -5.392 1.00 0.00 C ATOM 76 NE ARG A 5 -10.748 -3.491 -4.150 1.00 0.00 N ATOM 77 CZ ARG A 5 -12.010 -3.442 -3.703 1.00 0.00 C ATOM 78 NH1 ARG A 5 -12.935 -2.652 -4.236 1.00 0.00 N ATOM 79 NH2 ARG A 5 -12.373 -4.201 -2.687 1.00 0.00 N ATOM 0 H ARG A 5 -6.677 -1.100 -8.430 1.00 0.00 H new ATOM 0 HA ARG A 5 -7.578 -3.333 -6.634 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -7.605 -0.673 -6.068 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -9.119 -0.837 -6.934 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -8.273 -2.573 -4.584 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -9.319 -1.173 -4.458 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -11.030 -2.280 -5.853 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -9.973 -3.656 -6.104 1.00 0.00 H new ATOM 0 HE ARG A 5 -10.075 -4.002 -3.579 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -12.697 -2.047 -5.022 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -13.883 -2.651 -3.860 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -11.694 -4.821 -2.246 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -13.333 -4.168 -2.343 1.00 0.00 H new ATOM 93 N ILE A 6 -8.661 -4.198 -8.722 1.00 0.00 N ATOM 94 CA ILE A 6 -9.296 -4.723 -9.927 1.00 0.00 C ATOM 95 C ILE A 6 -10.811 -4.555 -9.793 1.00 0.00 C ATOM 96 O ILE A 6 -11.457 -3.937 -10.642 1.00 0.00 O ATOM 97 CB ILE A 6 -8.892 -6.199 -10.123 1.00 0.00 C ATOM 98 CG1 ILE A 6 -7.363 -6.382 -10.069 1.00 0.00 C ATOM 99 CG2 ILE A 6 -9.456 -6.813 -11.414 1.00 0.00 C ATOM 100 CD1 ILE A 6 -6.569 -5.513 -11.052 1.00 0.00 C ATOM 0 H ILE A 6 -8.262 -4.916 -8.117 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.967 -4.176 -10.810 1.00 0.00 H new ATOM 0 HB ILE A 6 -9.339 -6.739 -9.288 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.022 -6.163 -9.057 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -7.131 -7.429 -10.264 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -9.136 -7.852 -11.493 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -10.545 -6.770 -11.392 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -9.088 -6.254 -12.274 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.504 -5.714 -10.937 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.874 -5.746 -12.072 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.764 -4.460 -10.846 1.00 0.00 H new ATOM 112 N ASN A 7 -11.355 -5.113 -8.712 1.00 0.00 N ATOM 113 CA ASN A 7 -12.783 -5.137 -8.387 1.00 0.00 C ATOM 114 C ASN A 7 -12.947 -5.470 -6.896 1.00 0.00 C ATOM 115 O ASN A 7 -11.960 -5.533 -6.167 1.00 0.00 O ATOM 116 CB ASN A 7 -13.534 -6.143 -9.304 1.00 0.00 C ATOM 117 CG ASN A 7 -13.175 -7.613 -9.099 1.00 0.00 C ATOM 118 OD1 ASN A 7 -12.443 -7.974 -8.187 1.00 0.00 O ATOM 119 ND2 ASN A 7 -13.678 -8.499 -9.940 1.00 0.00 N ATOM 0 H ASN A 7 -10.787 -5.582 -8.006 1.00 0.00 H new ATOM 0 HA ASN A 7 -13.228 -4.159 -8.570 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -14.606 -6.023 -9.145 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -13.335 -5.880 -10.343 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -13.457 -9.489 -9.831 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -14.288 -8.193 -10.699 1.00 0.00 H new ATOM 126 N GLU A 8 -14.178 -5.714 -6.431 1.00 0.00 N ATOM 127 CA GLU A 8 -14.480 -5.995 -5.021 1.00 0.00 C ATOM 128 C GLU A 8 -13.869 -7.314 -4.499 1.00 0.00 C ATOM 129 O GLU A 8 -13.963 -7.623 -3.308 1.00 0.00 O ATOM 130 CB GLU A 8 -16.009 -5.979 -4.827 1.00 0.00 C ATOM 131 CG GLU A 8 -16.440 -5.487 -3.439 1.00 0.00 C ATOM 132 CD GLU A 8 -16.282 -3.961 -3.301 1.00 0.00 C ATOM 133 OE1 GLU A 8 -15.178 -3.497 -2.934 1.00 0.00 O ATOM 134 OE2 GLU A 8 -17.253 -3.220 -3.590 1.00 0.00 O ATOM 0 H GLU A 8 -15.003 -5.722 -7.030 1.00 0.00 H new ATOM 0 HA GLU A 8 -14.011 -5.212 -4.426 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -16.458 -5.339 -5.587 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -16.399 -6.984 -4.986 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -17.480 -5.763 -3.262 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -15.843 -5.985 -2.675 1.00 0.00 H new ATOM 141 N HIS A 9 -13.253 -8.115 -5.375 1.00 0.00 N ATOM 142 CA HIS A 9 -12.821 -9.480 -5.098 1.00 0.00 C ATOM 143 C HIS A 9 -11.309 -9.632 -5.246 1.00 0.00 C ATOM 144 O HIS A 9 -10.701 -10.422 -4.527 1.00 0.00 O ATOM 145 CB HIS A 9 -13.540 -10.420 -6.072 1.00 0.00 C ATOM 146 CG HIS A 9 -15.048 -10.342 -5.993 1.00 0.00 C ATOM 147 ND1 HIS A 9 -15.897 -9.986 -7.023 1.00 0.00 N ATOM 148 CD2 HIS A 9 -15.824 -10.503 -4.874 1.00 0.00 C ATOM 149 CE1 HIS A 9 -17.148 -9.933 -6.531 1.00 0.00 C ATOM 150 NE2 HIS A 9 -17.157 -10.247 -5.224 1.00 0.00 N ATOM 0 H HIS A 9 -13.037 -7.817 -6.326 1.00 0.00 H new ATOM 0 HA HIS A 9 -13.072 -9.729 -4.067 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -13.226 -10.184 -7.089 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -13.227 -11.445 -5.871 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -15.469 -10.779 -3.892 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -18.024 -9.674 -7.107 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -17.970 -10.290 -4.610 1.00 0.00 H new ATOM 158 N THR A 10 -10.702 -8.858 -6.137 1.00 0.00 N ATOM 159 CA THR A 10 -9.321 -9.010 -6.550 1.00 0.00 C ATOM 160 C THR A 10 -8.615 -7.666 -6.447 1.00 0.00 C ATOM 161 O THR A 10 -9.138 -6.624 -6.857 1.00 0.00 O ATOM 162 CB THR A 10 -9.309 -9.567 -7.985 1.00 0.00 C ATOM 163 OG1 THR A 10 -9.971 -10.827 -7.985 1.00 0.00 O ATOM 164 CG2 THR A 10 -7.912 -9.757 -8.580 1.00 0.00 C ATOM 0 H THR A 10 -11.176 -8.085 -6.604 1.00 0.00 H new ATOM 0 HA THR A 10 -8.786 -9.707 -5.905 1.00 0.00 H new ATOM 0 HB THR A 10 -9.812 -8.826 -8.606 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.974 -11.195 -8.893 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.998 -10.153 -9.592 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.395 -8.798 -8.608 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.346 -10.456 -7.964 1.00 0.00 H new ATOM 172 N VAL A 11 -7.371 -7.708 -5.984 1.00 0.00 N ATOM 173 CA VAL A 11 -6.436 -6.599 -6.068 1.00 0.00 C ATOM 174 C VAL A 11 -5.147 -7.182 -6.639 1.00 0.00 C ATOM 175 O VAL A 11 -4.901 -8.386 -6.525 1.00 0.00 O ATOM 176 CB VAL A 11 -6.284 -5.879 -4.705 1.00 0.00 C ATOM 177 CG1 VAL A 11 -7.641 -5.357 -4.215 1.00 0.00 C ATOM 178 CG2 VAL A 11 -5.689 -6.746 -3.588 1.00 0.00 C ATOM 0 H VAL A 11 -6.979 -8.533 -5.530 1.00 0.00 H new ATOM 0 HA VAL A 11 -6.786 -5.804 -6.726 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.584 -5.067 -4.902 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.513 -4.855 -3.256 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.044 -4.653 -4.943 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -8.331 -6.192 -4.097 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.619 -6.161 -2.671 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.330 -7.611 -3.418 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.694 -7.083 -3.880 1.00 0.00 H new ATOM 188 N LYS A 12 -4.320 -6.359 -7.272 1.00 0.00 N ATOM 189 CA LYS A 12 -2.992 -6.793 -7.677 1.00 0.00 C ATOM 190 C LYS A 12 -2.010 -5.690 -7.356 1.00 0.00 C ATOM 191 O LYS A 12 -2.412 -4.568 -7.064 1.00 0.00 O ATOM 192 CB LYS A 12 -2.969 -7.251 -9.147 1.00 0.00 C ATOM 193 CG LYS A 12 -2.705 -6.185 -10.205 1.00 0.00 C ATOM 194 CD LYS A 12 -2.599 -6.833 -11.595 1.00 0.00 C ATOM 195 CE LYS A 12 -2.106 -5.771 -12.575 1.00 0.00 C ATOM 196 NZ LYS A 12 -1.537 -6.344 -13.822 1.00 0.00 N ATOM 0 H LYS A 12 -4.545 -5.394 -7.514 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.692 -7.678 -7.116 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -2.207 -8.024 -9.248 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.928 -7.718 -9.370 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.509 -5.449 -10.199 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.783 -5.652 -9.973 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.910 -7.677 -11.570 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.568 -7.221 -11.909 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.934 -5.110 -12.831 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.349 -5.158 -12.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.456 -5.598 -14.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.595 -6.738 -13.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.161 -7.098 -14.174 1.00 0.00 H new ATOM 210 N PHE A 13 -0.725 -5.989 -7.421 1.00 0.00 N ATOM 211 CA PHE A 13 0.299 -4.982 -7.286 1.00 0.00 C ATOM 212 C PHE A 13 1.563 -5.455 -7.977 1.00 0.00 C ATOM 213 O PHE A 13 1.746 -6.644 -8.246 1.00 0.00 O ATOM 214 CB PHE A 13 0.547 -4.664 -5.804 1.00 0.00 C ATOM 215 CG PHE A 13 0.951 -5.840 -4.949 1.00 0.00 C ATOM 216 CD1 PHE A 13 -0.028 -6.727 -4.470 1.00 0.00 C ATOM 217 CD2 PHE A 13 2.302 -6.037 -4.614 1.00 0.00 C ATOM 218 CE1 PHE A 13 0.337 -7.800 -3.650 1.00 0.00 C ATOM 219 CE2 PHE A 13 2.663 -7.088 -3.757 1.00 0.00 C ATOM 220 CZ PHE A 13 1.676 -7.953 -3.252 1.00 0.00 C ATOM 0 H PHE A 13 -0.368 -6.933 -7.568 1.00 0.00 H new ATOM 0 HA PHE A 13 -0.029 -4.059 -7.764 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.326 -3.904 -5.738 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.360 -4.228 -5.387 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.064 -6.580 -4.736 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.060 -5.381 -5.015 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.409 -8.509 -3.323 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.698 -7.232 -3.485 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.947 -8.735 -2.558 1.00 0.00 H new ATOM 230 N TYR A 14 2.462 -4.513 -8.214 1.00 0.00 N ATOM 231 CA TYR A 14 3.816 -4.776 -8.631 1.00 0.00 C ATOM 232 C TYR A 14 4.723 -4.295 -7.500 1.00 0.00 C ATOM 233 O TYR A 14 4.428 -3.293 -6.838 1.00 0.00 O ATOM 234 CB TYR A 14 4.045 -4.070 -9.968 1.00 0.00 C ATOM 235 CG TYR A 14 5.496 -4.080 -10.355 1.00 0.00 C ATOM 236 CD1 TYR A 14 6.060 -5.262 -10.855 1.00 0.00 C ATOM 237 CD2 TYR A 14 6.296 -2.959 -10.085 1.00 0.00 C ATOM 238 CE1 TYR A 14 7.435 -5.340 -11.104 1.00 0.00 C ATOM 239 CE2 TYR A 14 7.682 -3.026 -10.328 1.00 0.00 C ATOM 240 CZ TYR A 14 8.255 -4.209 -10.859 1.00 0.00 C ATOM 241 OH TYR A 14 9.591 -4.251 -11.132 1.00 0.00 O ATOM 0 H TYR A 14 2.257 -3.519 -8.117 1.00 0.00 H new ATOM 0 HA TYR A 14 4.032 -5.831 -8.802 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.457 -4.560 -10.744 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.692 -3.041 -9.902 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.430 -6.117 -11.049 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.854 -2.054 -9.695 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.869 -6.255 -11.480 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.309 -2.174 -10.109 1.00 0.00 H new ATOM 0 HH TYR A 14 9.999 -3.389 -10.905 1.00 0.00 H new ATOM 251 N MET A 15 5.803 -5.031 -7.249 1.00 0.00 N ATOM 252 CA MET A 15 6.729 -4.806 -6.155 1.00 0.00 C ATOM 253 C MET A 15 8.131 -4.961 -6.718 1.00 0.00 C ATOM 254 O MET A 15 8.504 -6.048 -7.158 1.00 0.00 O ATOM 255 CB MET A 15 6.464 -5.865 -5.077 1.00 0.00 C ATOM 256 CG MET A 15 7.157 -5.583 -3.766 1.00 0.00 C ATOM 257 SD MET A 15 6.637 -6.744 -2.479 1.00 0.00 S ATOM 258 CE MET A 15 6.712 -5.682 -1.013 1.00 0.00 C ATOM 0 H MET A 15 6.062 -5.830 -7.828 1.00 0.00 H new ATOM 0 HA MET A 15 6.612 -3.816 -5.714 1.00 0.00 H new ATOM 0 HB2 MET A 15 5.390 -5.933 -4.903 1.00 0.00 H new ATOM 0 HB3 MET A 15 6.789 -6.837 -5.448 1.00 0.00 H new ATOM 0 HG2 MET A 15 8.236 -5.649 -3.902 1.00 0.00 H new ATOM 0 HG3 MET A 15 6.937 -4.564 -3.449 1.00 0.00 H new ATOM 0 HE1 MET A 15 6.593 -6.290 -0.116 1.00 0.00 H new ATOM 0 HE2 MET A 15 7.675 -5.173 -0.981 1.00 0.00 H new ATOM 0 HE3 MET A 15 5.913 -4.942 -1.058 1.00 0.00 H new ATOM 268 N SER A 16 8.917 -3.892 -6.721 1.00 0.00 N ATOM 269 CA SER A 16 10.305 -3.976 -7.154 1.00 0.00 C ATOM 270 C SER A 16 11.112 -4.706 -6.077 1.00 0.00 C ATOM 271 O SER A 16 10.730 -4.696 -4.903 1.00 0.00 O ATOM 272 CB SER A 16 10.869 -2.576 -7.404 1.00 0.00 C ATOM 273 OG SER A 16 9.955 -1.754 -8.119 1.00 0.00 O ATOM 0 H SER A 16 8.619 -2.961 -6.430 1.00 0.00 H new ATOM 0 HA SER A 16 10.369 -4.531 -8.090 1.00 0.00 H new ATOM 0 HB2 SER A 16 11.110 -2.106 -6.450 1.00 0.00 H new ATOM 0 HB3 SER A 16 11.801 -2.655 -7.964 1.00 0.00 H new ATOM 0 HG SER A 16 9.333 -2.319 -8.623 1.00 0.00 H new ATOM 279 N TYR A 17 12.267 -5.268 -6.435 1.00 0.00 N ATOM 280 CA TYR A 17 13.194 -5.836 -5.455 1.00 0.00 C ATOM 281 C TYR A 17 13.542 -4.826 -4.367 1.00 0.00 C ATOM 282 O TYR A 17 13.520 -5.158 -3.185 1.00 0.00 O ATOM 283 CB TYR A 17 14.466 -6.351 -6.140 1.00 0.00 C ATOM 284 CG TYR A 17 14.266 -7.452 -7.162 1.00 0.00 C ATOM 285 CD1 TYR A 17 13.283 -8.443 -6.979 1.00 0.00 C ATOM 286 CD2 TYR A 17 15.093 -7.497 -8.299 1.00 0.00 C ATOM 287 CE1 TYR A 17 13.147 -9.482 -7.908 1.00 0.00 C ATOM 288 CE2 TYR A 17 14.954 -8.530 -9.241 1.00 0.00 C ATOM 289 CZ TYR A 17 13.982 -9.541 -9.045 1.00 0.00 C ATOM 290 OH TYR A 17 13.840 -10.562 -9.936 1.00 0.00 O ATOM 0 H TYR A 17 12.584 -5.342 -7.402 1.00 0.00 H new ATOM 0 HA TYR A 17 12.693 -6.680 -4.980 1.00 0.00 H new ATOM 0 HB2 TYR A 17 14.957 -5.511 -6.631 1.00 0.00 H new ATOM 0 HB3 TYR A 17 15.148 -6.714 -5.371 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.631 -8.402 -6.119 1.00 0.00 H new ATOM 0 HD2 TYR A 17 15.840 -6.732 -8.449 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.398 -10.244 -7.754 1.00 0.00 H new ATOM 0 HE2 TYR A 17 15.588 -8.553 -10.115 1.00 0.00 H new ATOM 0 HH TYR A 17 13.284 -10.266 -10.687 1.00 0.00 H new ATOM 300 N GLY A 18 13.780 -3.569 -4.743 1.00 0.00 N ATOM 301 CA GLY A 18 14.128 -2.530 -3.785 1.00 0.00 C ATOM 302 C GLY A 18 13.018 -2.257 -2.768 1.00 0.00 C ATOM 303 O GLY A 18 13.319 -1.868 -1.645 1.00 0.00 O ATOM 0 H GLY A 18 13.737 -3.249 -5.711 1.00 0.00 H new ATOM 0 HA2 GLY A 18 15.035 -2.821 -3.255 1.00 0.00 H new ATOM 0 HA3 GLY A 18 14.355 -1.609 -4.323 1.00 0.00 H new ATOM 307 N ASP A 19 11.747 -2.499 -3.102 1.00 0.00 N ATOM 308 CA ASP A 19 10.632 -2.342 -2.158 1.00 0.00 C ATOM 309 C ASP A 19 10.679 -3.424 -1.078 1.00 0.00 C ATOM 310 O ASP A 19 10.255 -3.197 0.057 1.00 0.00 O ATOM 311 CB ASP A 19 9.283 -2.416 -2.902 1.00 0.00 C ATOM 312 CG ASP A 19 8.591 -1.058 -3.038 1.00 0.00 C ATOM 313 OD1 ASP A 19 8.183 -0.470 -2.011 1.00 0.00 O ATOM 314 OD2 ASP A 19 8.349 -0.619 -4.181 1.00 0.00 O ATOM 0 H ASP A 19 11.461 -2.808 -4.031 1.00 0.00 H new ATOM 0 HA ASP A 19 10.728 -1.365 -1.684 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.446 -2.834 -3.895 1.00 0.00 H new ATOM 0 HB3 ASP A 19 8.621 -3.102 -2.373 1.00 0.00 H new ATOM 319 N ILE A 20 11.178 -4.610 -1.421 1.00 0.00 N ATOM 320 CA ILE A 20 11.289 -5.759 -0.526 1.00 0.00 C ATOM 321 C ILE A 20 12.523 -5.542 0.367 1.00 0.00 C ATOM 322 O ILE A 20 12.440 -5.689 1.589 1.00 0.00 O ATOM 323 CB ILE A 20 11.327 -7.032 -1.414 1.00 0.00 C ATOM 324 CG1 ILE A 20 9.930 -7.225 -2.049 1.00 0.00 C ATOM 325 CG2 ILE A 20 11.728 -8.306 -0.662 1.00 0.00 C ATOM 326 CD1 ILE A 20 9.910 -7.957 -3.394 1.00 0.00 C ATOM 0 H ILE A 20 11.527 -4.803 -2.360 1.00 0.00 H new ATOM 0 HA ILE A 20 10.445 -5.880 0.153 1.00 0.00 H new ATOM 0 HB ILE A 20 12.098 -6.875 -2.168 1.00 0.00 H new ATOM 0 HG12 ILE A 20 9.304 -7.776 -1.347 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.473 -6.245 -2.182 1.00 0.00 H new ATOM 0 HG21 ILE A 20 11.731 -9.150 -1.352 1.00 0.00 H new ATOM 0 HG22 ILE A 20 12.724 -8.180 -0.238 1.00 0.00 H new ATOM 0 HG23 ILE A 20 11.014 -8.495 0.140 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.883 -8.038 -3.749 1.00 0.00 H new ATOM 0 HD12 ILE A 20 10.502 -7.400 -4.120 1.00 0.00 H new ATOM 0 HD13 ILE A 20 10.331 -8.955 -3.271 1.00 0.00 H new ATOM 338 N GLU A 21 13.630 -5.099 -0.230 1.00 0.00 N ATOM 339 CA GLU A 21 14.862 -4.713 0.455 1.00 0.00 C ATOM 340 C GLU A 21 14.625 -3.587 1.461 1.00 0.00 C ATOM 341 O GLU A 21 15.183 -3.602 2.558 1.00 0.00 O ATOM 342 CB GLU A 21 15.855 -4.206 -0.586 1.00 0.00 C ATOM 343 CG GLU A 21 16.399 -5.318 -1.475 1.00 0.00 C ATOM 344 CD GLU A 21 17.359 -6.289 -0.757 1.00 0.00 C ATOM 345 OE1 GLU A 21 18.314 -5.828 -0.080 1.00 0.00 O ATOM 346 OE2 GLU A 21 17.192 -7.522 -0.910 1.00 0.00 O ATOM 0 H GLU A 21 13.695 -4.996 -1.243 1.00 0.00 H new ATOM 0 HA GLU A 21 15.238 -5.585 0.989 1.00 0.00 H new ATOM 0 HB2 GLU A 21 15.370 -3.454 -1.208 1.00 0.00 H new ATOM 0 HB3 GLU A 21 16.685 -3.713 -0.080 1.00 0.00 H new ATOM 0 HG2 GLU A 21 15.562 -5.886 -1.880 1.00 0.00 H new ATOM 0 HG3 GLU A 21 16.920 -4.870 -2.321 1.00 0.00 H new ATOM 353 N ASP A 22 13.802 -2.608 1.092 1.00 0.00 N ATOM 354 CA ASP A 22 13.462 -1.455 1.935 1.00 0.00 C ATOM 355 C ASP A 22 12.793 -1.891 3.233 1.00 0.00 C ATOM 356 O ASP A 22 13.147 -1.441 4.326 1.00 0.00 O ATOM 357 CB ASP A 22 12.490 -0.521 1.215 1.00 0.00 C ATOM 358 CG ASP A 22 12.163 0.695 2.098 1.00 0.00 C ATOM 359 OD1 ASP A 22 13.037 1.580 2.253 1.00 0.00 O ATOM 360 OD2 ASP A 22 11.025 0.779 2.620 1.00 0.00 O ATOM 0 H ASP A 22 13.342 -2.590 0.182 1.00 0.00 H new ATOM 0 HA ASP A 22 14.400 -0.943 2.150 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.926 -0.188 0.273 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.574 -1.058 0.970 1.00 0.00 H new ATOM 365 N ARG A 23 11.851 -2.825 3.096 1.00 0.00 N ATOM 366 CA ARG A 23 11.176 -3.478 4.215 1.00 0.00 C ATOM 367 C ARG A 23 12.124 -4.408 4.980 1.00 0.00 C ATOM 368 O ARG A 23 11.741 -4.933 6.028 1.00 0.00 O ATOM 369 CB ARG A 23 9.930 -4.213 3.686 1.00 0.00 C ATOM 370 CG ARG A 23 8.858 -3.236 3.198 1.00 0.00 C ATOM 371 CD ARG A 23 7.819 -3.930 2.308 1.00 0.00 C ATOM 372 NE ARG A 23 6.730 -2.998 1.989 1.00 0.00 N ATOM 373 CZ ARG A 23 6.776 -1.989 1.115 1.00 0.00 C ATOM 374 NH1 ARG A 23 7.841 -1.800 0.345 1.00 0.00 N ATOM 375 NH2 ARG A 23 5.745 -1.165 1.027 1.00 0.00 N ATOM 0 H ARG A 23 11.531 -3.154 2.185 1.00 0.00 H new ATOM 0 HA ARG A 23 10.855 -2.726 4.936 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.218 -4.875 2.869 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.517 -4.842 4.475 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.359 -2.785 4.056 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.330 -2.426 2.642 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.290 -4.280 1.390 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.420 -4.808 2.816 1.00 0.00 H new ATOM 0 HE ARG A 23 5.849 -3.135 2.485 1.00 0.00 H new ATOM 0 HH11 ARG A 23 8.640 -2.430 0.416 1.00 0.00 H new ATOM 0 HH12 ARG A 23 7.860 -1.025 -0.317 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.928 -1.304 1.622 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.767 -0.390 0.364 1.00 0.00 H new ATOM 389 N GLY A 24 13.344 -4.620 4.484 1.00 0.00 N ATOM 390 CA GLY A 24 14.344 -5.471 5.100 1.00 0.00 C ATOM 391 C GLY A 24 14.084 -6.960 4.875 1.00 0.00 C ATOM 392 O GLY A 24 14.709 -7.794 5.536 1.00 0.00 O ATOM 0 H GLY A 24 13.666 -4.189 3.617 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.326 -5.215 4.701 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.373 -5.271 6.171 1.00 0.00 H new ATOM 396 N PHE A 25 13.174 -7.298 3.957 1.00 0.00 N ATOM 397 CA PHE A 25 13.034 -8.655 3.435 1.00 0.00 C ATOM 398 C PHE A 25 14.088 -8.840 2.328 1.00 0.00 C ATOM 399 O PHE A 25 14.925 -7.962 2.095 1.00 0.00 O ATOM 400 CB PHE A 25 11.585 -8.891 2.954 1.00 0.00 C ATOM 401 CG PHE A 25 10.548 -8.835 4.066 1.00 0.00 C ATOM 402 CD1 PHE A 25 10.201 -7.587 4.606 1.00 0.00 C ATOM 403 CD2 PHE A 25 9.947 -9.998 4.591 1.00 0.00 C ATOM 404 CE1 PHE A 25 9.329 -7.491 5.701 1.00 0.00 C ATOM 405 CE2 PHE A 25 9.078 -9.906 5.692 1.00 0.00 C ATOM 406 CZ PHE A 25 8.773 -8.653 6.257 1.00 0.00 C ATOM 0 H PHE A 25 12.513 -6.634 3.555 1.00 0.00 H new ATOM 0 HA PHE A 25 13.214 -9.405 4.205 1.00 0.00 H new ATOM 0 HB2 PHE A 25 11.336 -8.143 2.201 1.00 0.00 H new ATOM 0 HB3 PHE A 25 11.529 -9.864 2.467 1.00 0.00 H new ATOM 0 HD1 PHE A 25 10.611 -6.687 4.172 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.155 -10.960 4.147 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.086 -6.524 6.115 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.641 -10.802 6.107 1.00 0.00 H new ATOM 0 HZ PHE A 25 8.116 -8.587 7.112 1.00 0.00 H new ATOM 416 N ASP A 26 14.057 -9.977 1.634 1.00 0.00 N ATOM 417 CA ASP A 26 14.946 -10.273 0.512 1.00 0.00 C ATOM 418 C ASP A 26 14.085 -10.917 -0.558 1.00 0.00 C ATOM 419 O ASP A 26 13.165 -11.668 -0.214 1.00 0.00 O ATOM 420 CB ASP A 26 16.028 -11.271 0.924 1.00 0.00 C ATOM 421 CG ASP A 26 17.229 -11.256 -0.030 1.00 0.00 C ATOM 422 OD1 ASP A 26 17.066 -11.735 -1.180 1.00 0.00 O ATOM 423 OD2 ASP A 26 18.335 -10.839 0.390 1.00 0.00 O ATOM 0 H ASP A 26 13.402 -10.731 1.840 1.00 0.00 H new ATOM 0 HA ASP A 26 15.433 -9.361 0.166 1.00 0.00 H new ATOM 0 HB2 ASP A 26 16.366 -11.040 1.934 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.602 -12.274 0.952 1.00 0.00 H new ATOM 428 N ARG A 27 14.358 -10.660 -1.836 1.00 0.00 N ATOM 429 CA ARG A 27 13.606 -11.289 -2.919 1.00 0.00 C ATOM 430 C ARG A 27 13.641 -12.818 -2.805 1.00 0.00 C ATOM 431 O ARG A 27 12.638 -13.457 -3.113 1.00 0.00 O ATOM 432 CB ARG A 27 14.097 -10.783 -4.290 1.00 0.00 C ATOM 433 CG ARG A 27 15.524 -11.231 -4.652 1.00 0.00 C ATOM 434 CD ARG A 27 16.039 -10.581 -5.940 1.00 0.00 C ATOM 435 NE ARG A 27 17.421 -11.012 -6.223 1.00 0.00 N ATOM 436 CZ ARG A 27 18.232 -10.511 -7.165 1.00 0.00 C ATOM 437 NH1 ARG A 27 17.813 -9.544 -7.981 1.00 0.00 N ATOM 438 NH2 ARG A 27 19.471 -10.981 -7.290 1.00 0.00 N ATOM 0 H ARG A 27 15.092 -10.023 -2.146 1.00 0.00 H new ATOM 0 HA ARG A 27 12.559 -10.998 -2.829 1.00 0.00 H new ATOM 0 HB2 ARG A 27 13.411 -11.134 -5.061 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.057 -9.694 -4.299 1.00 0.00 H new ATOM 0 HG2 ARG A 27 16.197 -10.984 -3.831 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.543 -12.315 -4.764 1.00 0.00 H new ATOM 0 HD2 ARG A 27 15.391 -10.850 -6.774 1.00 0.00 H new ATOM 0 HD3 ARG A 27 16.003 -9.496 -5.846 1.00 0.00 H new ATOM 0 HE ARG A 27 17.796 -11.765 -5.646 1.00 0.00 H new ATOM 0 HH11 ARG A 27 16.865 -9.177 -7.892 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.440 -9.171 -8.694 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.801 -11.721 -6.670 1.00 0.00 H new ATOM 0 HH22 ARG A 27 20.091 -10.602 -8.006 1.00 0.00 H new ATOM 452 N GLU A 28 14.753 -13.402 -2.353 1.00 0.00 N ATOM 453 CA GLU A 28 14.835 -14.845 -2.164 1.00 0.00 C ATOM 454 C GLU A 28 14.094 -15.238 -0.886 1.00 0.00 C ATOM 455 O GLU A 28 13.323 -16.189 -0.881 1.00 0.00 O ATOM 456 CB GLU A 28 16.294 -15.315 -2.104 1.00 0.00 C ATOM 457 CG GLU A 28 16.989 -15.183 -3.463 1.00 0.00 C ATOM 458 CD GLU A 28 18.388 -15.826 -3.454 1.00 0.00 C ATOM 459 OE1 GLU A 28 18.495 -17.056 -3.682 1.00 0.00 O ATOM 460 OE2 GLU A 28 19.396 -15.106 -3.245 1.00 0.00 O ATOM 0 H GLU A 28 15.605 -12.896 -2.113 1.00 0.00 H new ATOM 0 HA GLU A 28 14.365 -15.333 -3.018 1.00 0.00 H new ATOM 0 HB2 GLU A 28 16.835 -14.729 -1.361 1.00 0.00 H new ATOM 0 HB3 GLU A 28 16.328 -16.354 -1.777 1.00 0.00 H new ATOM 0 HG2 GLU A 28 16.377 -15.655 -4.232 1.00 0.00 H new ATOM 0 HG3 GLU A 28 17.075 -14.129 -3.727 1.00 0.00 H new ATOM 467 N GLU A 29 14.290 -14.499 0.203 1.00 0.00 N ATOM 468 CA GLU A 29 13.750 -14.847 1.511 1.00 0.00 C ATOM 469 C GLU A 29 12.227 -14.897 1.486 1.00 0.00 C ATOM 470 O GLU A 29 11.640 -15.793 2.089 1.00 0.00 O ATOM 471 CB GLU A 29 14.252 -13.838 2.551 1.00 0.00 C ATOM 472 CG GLU A 29 15.740 -14.008 2.856 1.00 0.00 C ATOM 473 CD GLU A 29 15.999 -15.063 3.954 1.00 0.00 C ATOM 474 OE1 GLU A 29 15.932 -16.281 3.664 1.00 0.00 O ATOM 475 OE2 GLU A 29 16.258 -14.673 5.118 1.00 0.00 O ATOM 0 H GLU A 29 14.833 -13.635 0.201 1.00 0.00 H new ATOM 0 HA GLU A 29 14.098 -15.844 1.783 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.071 -12.826 2.188 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.680 -13.954 3.471 1.00 0.00 H new ATOM 0 HG2 GLU A 29 16.264 -14.299 1.945 1.00 0.00 H new ATOM 0 HG3 GLU A 29 16.155 -13.051 3.171 1.00 0.00 H new ATOM 482 N ILE A 30 11.606 -13.986 0.743 1.00 0.00 N ATOM 483 CA ILE A 30 10.167 -14.003 0.467 1.00 0.00 C ATOM 484 C ILE A 30 9.764 -15.362 -0.126 1.00 0.00 C ATOM 485 O ILE A 30 8.770 -15.936 0.316 1.00 0.00 O ATOM 486 CB ILE A 30 9.763 -12.844 -0.475 1.00 0.00 C ATOM 487 CG1 ILE A 30 10.027 -11.457 0.150 1.00 0.00 C ATOM 488 CG2 ILE A 30 8.305 -12.945 -0.966 1.00 0.00 C ATOM 489 CD1 ILE A 30 8.878 -10.785 0.926 1.00 0.00 C ATOM 0 H ILE A 30 12.092 -13.202 0.308 1.00 0.00 H new ATOM 0 HA ILE A 30 9.633 -13.859 1.406 1.00 0.00 H new ATOM 0 HB ILE A 30 10.408 -12.949 -1.348 1.00 0.00 H new ATOM 0 HG12 ILE A 30 10.877 -11.551 0.826 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.330 -10.782 -0.650 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.083 -12.104 -1.622 1.00 0.00 H new ATOM 0 HG22 ILE A 30 8.169 -13.878 -1.513 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.631 -12.925 -0.110 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.211 -9.819 1.306 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.026 -10.639 0.261 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.582 -11.421 1.761 1.00 0.00 H new ATOM 501 N TRP A 31 10.505 -15.900 -1.098 1.00 0.00 N ATOM 502 CA TRP A 31 10.175 -17.197 -1.685 1.00 0.00 C ATOM 503 C TRP A 31 10.374 -18.370 -0.710 1.00 0.00 C ATOM 504 O TRP A 31 9.759 -19.423 -0.915 1.00 0.00 O ATOM 505 CB TRP A 31 10.978 -17.455 -2.968 1.00 0.00 C ATOM 506 CG TRP A 31 10.775 -16.516 -4.124 1.00 0.00 C ATOM 507 CD1 TRP A 31 11.767 -15.936 -4.836 1.00 0.00 C ATOM 508 CD2 TRP A 31 9.534 -16.085 -4.768 1.00 0.00 C ATOM 509 NE1 TRP A 31 11.240 -15.166 -5.850 1.00 0.00 N ATOM 510 CE2 TRP A 31 9.862 -15.232 -5.868 1.00 0.00 C ATOM 511 CE3 TRP A 31 8.160 -16.337 -4.556 1.00 0.00 C ATOM 512 CZ2 TRP A 31 8.885 -14.660 -6.699 1.00 0.00 C ATOM 513 CZ3 TRP A 31 7.173 -15.771 -5.381 1.00 0.00 C ATOM 514 CH2 TRP A 31 7.528 -14.941 -6.461 1.00 0.00 C ATOM 0 H TRP A 31 11.335 -15.457 -1.493 1.00 0.00 H new ATOM 0 HA TRP A 31 9.113 -17.145 -1.927 1.00 0.00 H new ATOM 0 HB2 TRP A 31 12.037 -17.442 -2.708 1.00 0.00 H new ATOM 0 HB3 TRP A 31 10.746 -18.463 -3.311 1.00 0.00 H new ATOM 0 HD1 TRP A 31 12.822 -16.059 -4.638 1.00 0.00 H new ATOM 0 HE1 TRP A 31 11.798 -14.617 -6.504 1.00 0.00 H new ATOM 0 HE3 TRP A 31 7.861 -16.980 -3.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 9.173 -14.011 -7.513 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 6.131 -15.975 -5.184 1.00 0.00 H new ATOM 0 HH2 TRP A 31 6.765 -14.524 -7.101 1.00 0.00 H new ATOM 525 N TYR A 32 11.201 -18.219 0.331 1.00 0.00 N ATOM 526 CA TYR A 32 11.772 -19.352 1.067 1.00 0.00 C ATOM 527 C TYR A 32 11.446 -19.363 2.571 1.00 0.00 C ATOM 528 O TYR A 32 11.915 -20.253 3.286 1.00 0.00 O ATOM 529 CB TYR A 32 13.288 -19.401 0.793 1.00 0.00 C ATOM 530 CG TYR A 32 13.672 -19.582 -0.663 1.00 0.00 C ATOM 531 CD1 TYR A 32 13.068 -20.588 -1.440 1.00 0.00 C ATOM 532 CD2 TYR A 32 14.640 -18.745 -1.247 1.00 0.00 C ATOM 533 CE1 TYR A 32 13.391 -20.723 -2.799 1.00 0.00 C ATOM 534 CE2 TYR A 32 14.945 -18.848 -2.614 1.00 0.00 C ATOM 535 CZ TYR A 32 14.321 -19.847 -3.402 1.00 0.00 C ATOM 536 OH TYR A 32 14.606 -19.971 -4.732 1.00 0.00 O ATOM 0 H TYR A 32 11.493 -17.309 0.686 1.00 0.00 H new ATOM 0 HA TYR A 32 11.298 -20.261 0.698 1.00 0.00 H new ATOM 0 HB2 TYR A 32 13.738 -18.478 1.160 1.00 0.00 H new ATOM 0 HB3 TYR A 32 13.720 -20.218 1.371 1.00 0.00 H new ATOM 0 HD1 TYR A 32 12.353 -21.259 -0.988 1.00 0.00 H new ATOM 0 HD2 TYR A 32 15.154 -18.016 -0.638 1.00 0.00 H new ATOM 0 HE1 TYR A 32 12.926 -21.501 -3.387 1.00 0.00 H new ATOM 0 HE2 TYR A 32 15.653 -18.168 -3.064 1.00 0.00 H new ATOM 0 HH TYR A 32 15.264 -19.292 -4.990 1.00 0.00 H new ATOM 546 N ASN A 33 10.632 -18.421 3.065 1.00 0.00 N ATOM 547 CA ASN A 33 10.262 -18.284 4.466 1.00 0.00 C ATOM 548 C ASN A 33 8.768 -17.974 4.502 1.00 0.00 C ATOM 549 O ASN A 33 8.400 -16.803 4.538 1.00 0.00 O ATOM 550 CB ASN A 33 11.054 -17.129 5.099 1.00 0.00 C ATOM 551 CG ASN A 33 12.549 -17.373 5.190 1.00 0.00 C ATOM 552 OD1 ASN A 33 13.067 -17.898 6.173 1.00 0.00 O ATOM 553 ND2 ASN A 33 13.255 -16.952 4.161 1.00 0.00 N ATOM 0 H ASN A 33 10.201 -17.711 2.472 1.00 0.00 H new ATOM 0 HA ASN A 33 10.483 -19.194 5.023 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.880 -16.223 4.518 1.00 0.00 H new ATOM 0 HB3 ASN A 33 10.666 -16.944 6.101 1.00 0.00 H new ATOM 0 HD21 ASN A 33 14.270 -17.057 4.162 1.00 0.00 H new ATOM 0 HD22 ASN A 33 12.787 -16.521 3.364 1.00 0.00 H new ATOM 560 N ARG A 34 7.905 -18.995 4.407 1.00 0.00 N ATOM 561 CA ARG A 34 6.464 -18.839 4.148 1.00 0.00 C ATOM 562 C ARG A 34 5.799 -17.757 5.005 1.00 0.00 C ATOM 563 O ARG A 34 4.989 -16.978 4.501 1.00 0.00 O ATOM 564 CB ARG A 34 5.768 -20.200 4.316 1.00 0.00 C ATOM 565 CG ARG A 34 4.245 -20.110 4.109 1.00 0.00 C ATOM 566 CD ARG A 34 3.627 -21.510 4.015 1.00 0.00 C ATOM 567 NE ARG A 34 2.160 -21.445 3.884 1.00 0.00 N ATOM 568 CZ ARG A 34 1.330 -22.498 3.818 1.00 0.00 C ATOM 569 NH1 ARG A 34 1.803 -23.742 3.862 1.00 0.00 N ATOM 570 NH2 ARG A 34 0.019 -22.297 3.707 1.00 0.00 N ATOM 0 H ARG A 34 8.192 -19.969 4.509 1.00 0.00 H new ATOM 0 HA ARG A 34 6.352 -18.493 3.121 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.187 -20.910 3.603 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.974 -20.590 5.313 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.792 -19.562 4.935 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.029 -19.550 3.199 1.00 0.00 H new ATOM 0 HD2 ARG A 34 4.047 -22.037 3.159 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.889 -22.085 4.903 1.00 0.00 H new ATOM 0 HE ARG A 34 1.738 -20.517 3.840 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.807 -23.903 3.947 1.00 0.00 H new ATOM 0 HH12 ARG A 34 1.162 -24.534 3.811 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.350 -21.347 3.672 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.617 -23.093 3.656 1.00 0.00 H new ATOM 584 N GLU A 35 6.115 -17.698 6.296 1.00 0.00 N ATOM 585 CA GLU A 35 5.492 -16.737 7.186 1.00 0.00 C ATOM 586 C GLU A 35 6.011 -15.316 6.938 1.00 0.00 C ATOM 587 O GLU A 35 5.253 -14.355 7.059 1.00 0.00 O ATOM 588 CB GLU A 35 5.632 -17.161 8.660 1.00 0.00 C ATOM 589 CG GLU A 35 7.059 -17.233 9.238 1.00 0.00 C ATOM 590 CD GLU A 35 7.827 -18.497 8.799 1.00 0.00 C ATOM 591 OE1 GLU A 35 8.420 -18.493 7.693 1.00 0.00 O ATOM 592 OE2 GLU A 35 7.829 -19.500 9.554 1.00 0.00 O ATOM 0 H GLU A 35 6.800 -18.307 6.744 1.00 0.00 H new ATOM 0 HA GLU A 35 4.426 -16.723 6.960 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.055 -16.464 9.268 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.171 -18.142 8.775 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.616 -16.350 8.925 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.005 -17.207 10.326 1.00 0.00 H new ATOM 599 N ARG A 36 7.278 -15.173 6.534 1.00 0.00 N ATOM 600 CA ARG A 36 7.843 -13.891 6.147 1.00 0.00 C ATOM 601 C ARG A 36 7.397 -13.500 4.744 1.00 0.00 C ATOM 602 O ARG A 36 7.428 -12.313 4.425 1.00 0.00 O ATOM 603 CB ARG A 36 9.367 -13.932 6.251 1.00 0.00 C ATOM 604 CG ARG A 36 9.912 -14.160 7.676 1.00 0.00 C ATOM 605 CD ARG A 36 9.149 -13.402 8.776 1.00 0.00 C ATOM 606 NE ARG A 36 9.760 -13.589 10.102 1.00 0.00 N ATOM 607 CZ ARG A 36 9.183 -13.269 11.271 1.00 0.00 C ATOM 608 NH1 ARG A 36 7.962 -12.734 11.321 1.00 0.00 N ATOM 609 NH2 ARG A 36 9.844 -13.494 12.404 1.00 0.00 N ATOM 0 H ARG A 36 7.936 -15.950 6.469 1.00 0.00 H new ATOM 0 HA ARG A 36 7.474 -13.129 6.833 1.00 0.00 H new ATOM 0 HB2 ARG A 36 9.740 -14.725 5.603 1.00 0.00 H new ATOM 0 HB3 ARG A 36 9.769 -12.993 5.869 1.00 0.00 H new ATOM 0 HG2 ARG A 36 9.880 -15.227 7.898 1.00 0.00 H new ATOM 0 HG3 ARG A 36 10.959 -13.859 7.704 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.126 -12.339 8.534 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.115 -13.745 8.802 1.00 0.00 H new ATOM 0 HE ARG A 36 10.696 -13.994 10.135 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.446 -12.560 10.459 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.545 -12.499 12.222 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.777 -13.905 12.377 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.417 -13.256 13.299 1.00 0.00 H new ATOM 623 N SER A 37 6.952 -14.443 3.911 1.00 0.00 N ATOM 624 CA SER A 37 6.253 -14.085 2.692 1.00 0.00 C ATOM 625 C SER A 37 4.971 -13.358 3.100 1.00 0.00 C ATOM 626 O SER A 37 4.739 -12.239 2.653 1.00 0.00 O ATOM 627 CB SER A 37 5.932 -15.302 1.808 1.00 0.00 C ATOM 628 OG SER A 37 6.832 -16.375 1.998 1.00 0.00 O ATOM 0 H SER A 37 7.065 -15.445 4.062 1.00 0.00 H new ATOM 0 HA SER A 37 6.895 -13.445 2.087 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.919 -15.642 2.022 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.952 -14.999 0.761 1.00 0.00 H new ATOM 0 HG SER A 37 7.686 -16.166 1.565 1.00 0.00 H new ATOM 634 N GLU A 38 4.168 -13.969 3.980 1.00 0.00 N ATOM 635 CA GLU A 38 2.812 -13.560 4.319 1.00 0.00 C ATOM 636 C GLU A 38 2.707 -12.083 4.729 1.00 0.00 C ATOM 637 O GLU A 38 1.720 -11.432 4.385 1.00 0.00 O ATOM 638 CB GLU A 38 2.285 -14.500 5.414 1.00 0.00 C ATOM 639 CG GLU A 38 0.787 -14.735 5.245 1.00 0.00 C ATOM 640 CD GLU A 38 0.226 -15.634 6.366 1.00 0.00 C ATOM 641 OE1 GLU A 38 0.322 -16.881 6.254 1.00 0.00 O ATOM 642 OE2 GLU A 38 -0.328 -15.099 7.359 1.00 0.00 O ATOM 0 H GLU A 38 4.465 -14.798 4.494 1.00 0.00 H new ATOM 0 HA GLU A 38 2.191 -13.642 3.427 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.815 -15.451 5.370 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.483 -14.070 6.396 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.265 -13.778 5.249 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.597 -15.198 4.277 1.00 0.00 H new ATOM 649 N GLU A 39 3.727 -11.532 5.392 1.00 0.00 N ATOM 650 CA GLU A 39 3.769 -10.155 5.865 1.00 0.00 C ATOM 651 C GLU A 39 3.535 -9.159 4.720 1.00 0.00 C ATOM 652 O GLU A 39 2.895 -8.124 4.907 1.00 0.00 O ATOM 653 CB GLU A 39 5.140 -9.852 6.506 1.00 0.00 C ATOM 654 CG GLU A 39 5.874 -10.988 7.223 1.00 0.00 C ATOM 655 CD GLU A 39 5.295 -11.440 8.578 1.00 0.00 C ATOM 656 OE1 GLU A 39 4.080 -11.261 8.845 1.00 0.00 O ATOM 657 OE2 GLU A 39 6.090 -11.953 9.407 1.00 0.00 O ATOM 0 H GLU A 39 4.573 -12.054 5.620 1.00 0.00 H new ATOM 0 HA GLU A 39 2.974 -10.042 6.602 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.797 -9.474 5.722 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.000 -9.042 7.222 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.897 -11.851 6.558 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.907 -10.679 7.381 1.00 0.00 H new ATOM 664 N LEU A 40 4.055 -9.488 3.535 1.00 0.00 N ATOM 665 CA LEU A 40 3.889 -8.708 2.319 1.00 0.00 C ATOM 666 C LEU A 40 2.398 -8.585 2.012 1.00 0.00 C ATOM 667 O LEU A 40 1.844 -7.490 1.924 1.00 0.00 O ATOM 668 CB LEU A 40 4.651 -9.408 1.179 1.00 0.00 C ATOM 669 CG LEU A 40 4.674 -8.761 -0.225 1.00 0.00 C ATOM 670 CD1 LEU A 40 4.192 -9.767 -1.272 1.00 0.00 C ATOM 671 CD2 LEU A 40 3.909 -7.439 -0.376 1.00 0.00 C ATOM 0 H LEU A 40 4.617 -10.328 3.397 1.00 0.00 H new ATOM 0 HA LEU A 40 4.294 -7.703 2.435 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.685 -9.528 1.501 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.233 -10.409 1.072 1.00 0.00 H new ATOM 0 HG LEU A 40 5.718 -8.490 -0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.211 -9.303 -2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.847 -10.638 -1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.174 -10.077 -1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.997 -7.083 -1.402 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.858 -7.598 -0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.328 -6.697 0.303 1.00 0.00 H new ATOM 683 N PHE A 41 1.749 -9.736 1.869 1.00 0.00 N ATOM 684 CA PHE A 41 0.360 -9.863 1.473 1.00 0.00 C ATOM 685 C PHE A 41 -0.545 -9.203 2.516 1.00 0.00 C ATOM 686 O PHE A 41 -1.543 -8.566 2.167 1.00 0.00 O ATOM 687 CB PHE A 41 0.030 -11.348 1.279 1.00 0.00 C ATOM 688 CG PHE A 41 0.993 -12.042 0.330 1.00 0.00 C ATOM 689 CD1 PHE A 41 2.231 -12.495 0.816 1.00 0.00 C ATOM 690 CD2 PHE A 41 0.709 -12.161 -1.044 1.00 0.00 C ATOM 691 CE1 PHE A 41 3.179 -13.064 -0.051 1.00 0.00 C ATOM 692 CE2 PHE A 41 1.651 -12.750 -1.909 1.00 0.00 C ATOM 693 CZ PHE A 41 2.884 -13.202 -1.416 1.00 0.00 C ATOM 0 H PHE A 41 2.197 -10.637 2.033 1.00 0.00 H new ATOM 0 HA PHE A 41 0.187 -9.350 0.527 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.053 -11.851 2.246 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.985 -11.443 0.894 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.457 -12.405 1.868 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.231 -11.801 -1.434 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.133 -13.395 0.332 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.423 -12.855 -2.959 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.603 -13.654 -2.084 1.00 0.00 H new ATOM 703 N TRP A 42 -0.175 -9.293 3.794 1.00 0.00 N ATOM 704 CA TRP A 42 -0.849 -8.569 4.853 1.00 0.00 C ATOM 705 C TRP A 42 -0.731 -7.053 4.680 1.00 0.00 C ATOM 706 O TRP A 42 -1.722 -6.360 4.914 1.00 0.00 O ATOM 707 CB TRP A 42 -0.319 -9.034 6.215 1.00 0.00 C ATOM 708 CG TRP A 42 -0.961 -10.297 6.698 1.00 0.00 C ATOM 709 CD1 TRP A 42 -0.350 -11.490 6.856 1.00 0.00 C ATOM 710 CD2 TRP A 42 -2.366 -10.527 7.031 1.00 0.00 C ATOM 711 NE1 TRP A 42 -1.267 -12.436 7.264 1.00 0.00 N ATOM 712 CE2 TRP A 42 -2.535 -11.905 7.370 1.00 0.00 C ATOM 713 CE3 TRP A 42 -3.519 -9.711 7.059 1.00 0.00 C ATOM 714 CZ2 TRP A 42 -3.788 -12.444 7.704 1.00 0.00 C ATOM 715 CZ3 TRP A 42 -4.779 -10.242 7.392 1.00 0.00 C ATOM 716 CH2 TRP A 42 -4.918 -11.605 7.708 1.00 0.00 C ATOM 0 H TRP A 42 0.601 -9.872 4.116 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.914 -8.794 4.800 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.758 -9.185 6.146 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.484 -8.246 6.950 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.700 -11.676 6.688 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.035 -13.409 7.463 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.432 -8.661 6.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.883 -13.490 7.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -5.646 -9.598 7.405 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.890 -12.007 7.953 1.00 0.00 H new ATOM 727 N GLU A 43 0.415 -6.509 4.253 1.00 0.00 N ATOM 728 CA GLU A 43 0.572 -5.073 4.116 1.00 0.00 C ATOM 729 C GLU A 43 -0.304 -4.551 2.973 1.00 0.00 C ATOM 730 O GLU A 43 -0.946 -3.514 3.119 1.00 0.00 O ATOM 731 CB GLU A 43 2.046 -4.719 3.873 1.00 0.00 C ATOM 732 CG GLU A 43 2.281 -3.213 4.058 1.00 0.00 C ATOM 733 CD GLU A 43 3.658 -2.761 3.544 1.00 0.00 C ATOM 734 OE1 GLU A 43 4.693 -3.366 3.907 1.00 0.00 O ATOM 735 OE2 GLU A 43 3.721 -1.783 2.763 1.00 0.00 O ATOM 0 H GLU A 43 1.242 -7.049 3.999 1.00 0.00 H new ATOM 0 HA GLU A 43 0.252 -4.595 5.042 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.678 -5.278 4.563 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.335 -5.016 2.865 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.502 -2.660 3.533 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.192 -2.962 5.115 1.00 0.00 H new ATOM 742 N VAL A 44 -0.368 -5.253 1.840 1.00 0.00 N ATOM 743 CA VAL A 44 -1.147 -4.791 0.707 1.00 0.00 C ATOM 744 C VAL A 44 -2.640 -4.844 0.999 1.00 0.00 C ATOM 745 O VAL A 44 -3.357 -3.899 0.679 1.00 0.00 O ATOM 746 CB VAL A 44 -0.790 -5.575 -0.551 1.00 0.00 C ATOM 747 CG1 VAL A 44 0.625 -5.210 -1.004 1.00 0.00 C ATOM 748 CG2 VAL A 44 -0.835 -7.088 -0.398 1.00 0.00 C ATOM 0 H VAL A 44 0.112 -6.141 1.690 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.894 -3.746 0.529 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.553 -5.296 -1.278 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.876 -5.773 -1.903 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.674 -4.142 -1.218 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.335 -5.454 -0.213 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.566 -7.558 -1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.130 -7.397 0.373 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.841 -7.395 -0.113 1.00 0.00 H new ATOM 758 N MET A 45 -3.093 -5.920 1.633 1.00 0.00 N ATOM 759 CA MET A 45 -4.442 -6.028 2.145 1.00 0.00 C ATOM 760 C MET A 45 -4.738 -4.850 3.061 1.00 0.00 C ATOM 761 O MET A 45 -5.768 -4.199 2.905 1.00 0.00 O ATOM 762 CB MET A 45 -4.594 -7.339 2.917 1.00 0.00 C ATOM 763 CG MET A 45 -4.876 -8.500 1.966 1.00 0.00 C ATOM 764 SD MET A 45 -6.551 -8.452 1.259 1.00 0.00 S ATOM 765 CE MET A 45 -6.239 -9.171 -0.374 1.00 0.00 C ATOM 0 H MET A 45 -2.522 -6.748 1.805 1.00 0.00 H new ATOM 0 HA MET A 45 -5.147 -6.019 1.314 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.685 -7.540 3.483 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.406 -7.249 3.639 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.146 -8.485 1.157 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.740 -9.441 2.500 1.00 0.00 H new ATOM 0 HE1 MET A 45 -7.171 -9.213 -0.937 1.00 0.00 H new ATOM 0 HE2 MET A 45 -5.518 -8.555 -0.911 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.840 -10.179 -0.258 1.00 0.00 H new ATOM 775 N ASP A 46 -3.839 -4.559 3.998 1.00 0.00 N ATOM 776 CA ASP A 46 -4.019 -3.464 4.944 1.00 0.00 C ATOM 777 C ASP A 46 -4.155 -2.121 4.227 1.00 0.00 C ATOM 778 O ASP A 46 -5.024 -1.313 4.564 1.00 0.00 O ATOM 779 CB ASP A 46 -2.860 -3.407 5.939 1.00 0.00 C ATOM 780 CG ASP A 46 -3.051 -2.230 6.908 1.00 0.00 C ATOM 781 OD1 ASP A 46 -3.920 -2.328 7.806 1.00 0.00 O ATOM 782 OD2 ASP A 46 -2.323 -1.216 6.790 1.00 0.00 O ATOM 0 H ASP A 46 -2.968 -5.075 4.122 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.943 -3.656 5.489 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.804 -4.342 6.497 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.917 -3.298 5.404 1.00 0.00 H new ATOM 787 N GLU A 47 -3.345 -1.909 3.196 1.00 0.00 N ATOM 788 CA GLU A 47 -3.313 -0.729 2.366 1.00 0.00 C ATOM 789 C GLU A 47 -4.611 -0.546 1.549 1.00 0.00 C ATOM 790 O GLU A 47 -4.858 0.551 1.043 1.00 0.00 O ATOM 791 CB GLU A 47 -2.035 -0.877 1.524 1.00 0.00 C ATOM 792 CG GLU A 47 -1.932 -0.047 0.254 1.00 0.00 C ATOM 793 CD GLU A 47 -1.933 1.482 0.465 1.00 0.00 C ATOM 794 OE1 GLU A 47 -1.666 1.972 1.590 1.00 0.00 O ATOM 795 OE2 GLU A 47 -2.161 2.218 -0.528 1.00 0.00 O ATOM 0 H GLU A 47 -2.655 -2.603 2.907 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.277 0.193 2.947 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.184 -0.629 2.158 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.933 -1.927 1.249 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.017 -0.325 -0.269 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.764 -0.308 -0.400 1.00 0.00 H new ATOM 802 N VAL A 48 -5.481 -1.560 1.477 1.00 0.00 N ATOM 803 CA VAL A 48 -6.765 -1.497 0.774 1.00 0.00 C ATOM 804 C VAL A 48 -7.934 -1.838 1.697 1.00 0.00 C ATOM 805 O VAL A 48 -9.075 -1.847 1.241 1.00 0.00 O ATOM 806 CB VAL A 48 -6.755 -2.382 -0.497 1.00 0.00 C ATOM 807 CG1 VAL A 48 -5.588 -2.012 -1.420 1.00 0.00 C ATOM 808 CG2 VAL A 48 -6.686 -3.888 -0.209 1.00 0.00 C ATOM 0 H VAL A 48 -5.308 -2.465 1.915 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.910 -0.466 0.450 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.710 -2.181 -0.982 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.607 -2.650 -2.304 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.680 -0.969 -1.723 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.646 -2.154 -0.890 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.683 -4.439 -1.150 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.774 -4.111 0.345 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.552 -4.185 0.383 1.00 0.00 H new ATOM 818 N HIS A 49 -7.680 -2.117 2.978 1.00 0.00 N ATOM 819 CA HIS A 49 -8.660 -2.790 3.822 1.00 0.00 C ATOM 820 C HIS A 49 -9.965 -2.010 4.026 1.00 0.00 C ATOM 821 O HIS A 49 -10.983 -2.624 4.333 1.00 0.00 O ATOM 822 CB HIS A 49 -8.041 -3.188 5.167 1.00 0.00 C ATOM 823 CG HIS A 49 -8.400 -4.594 5.567 1.00 0.00 C ATOM 824 ND1 HIS A 49 -9.101 -4.989 6.685 1.00 0.00 N ATOM 825 CD2 HIS A 49 -8.067 -5.726 4.874 1.00 0.00 C ATOM 826 CE1 HIS A 49 -9.185 -6.331 6.662 1.00 0.00 C ATOM 827 NE2 HIS A 49 -8.573 -6.831 5.571 1.00 0.00 N ATOM 0 H HIS A 49 -6.805 -1.886 3.449 1.00 0.00 H new ATOM 0 HA HIS A 49 -8.945 -3.689 3.276 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -6.957 -3.095 5.107 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -8.378 -2.496 5.939 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.510 -5.761 3.949 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -9.677 -6.927 7.416 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -8.494 -7.813 5.307 1.00 0.00 H new ATOM 835 N GLU A 50 -9.979 -0.690 3.821 1.00 0.00 N ATOM 836 CA GLU A 50 -11.212 0.099 3.859 1.00 0.00 C ATOM 837 C GLU A 50 -12.234 -0.369 2.803 1.00 0.00 C ATOM 838 O GLU A 50 -13.430 -0.114 2.952 1.00 0.00 O ATOM 839 CB GLU A 50 -10.900 1.594 3.678 1.00 0.00 C ATOM 840 CG GLU A 50 -10.083 2.171 4.843 1.00 0.00 C ATOM 841 CD GLU A 50 -9.881 3.689 4.690 1.00 0.00 C ATOM 842 OE1 GLU A 50 -8.875 4.116 4.070 1.00 0.00 O ATOM 843 OE2 GLU A 50 -10.716 4.472 5.205 1.00 0.00 O ATOM 0 H GLU A 50 -9.141 -0.142 3.625 1.00 0.00 H new ATOM 0 HA GLU A 50 -11.664 -0.055 4.839 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.350 1.737 2.748 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.834 2.148 3.585 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.592 1.963 5.784 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.113 1.676 4.889 1.00 0.00 H new ATOM 850 N GLU A 51 -11.784 -1.069 1.755 1.00 0.00 N ATOM 851 CA GLU A 51 -12.621 -1.641 0.705 1.00 0.00 C ATOM 852 C GLU A 51 -12.781 -3.167 0.889 1.00 0.00 C ATOM 853 O GLU A 51 -13.358 -3.841 0.033 1.00 0.00 O ATOM 854 CB GLU A 51 -12.021 -1.300 -0.670 1.00 0.00 C ATOM 855 CG GLU A 51 -12.128 0.194 -0.992 1.00 0.00 C ATOM 856 CD GLU A 51 -11.421 0.531 -2.317 1.00 0.00 C ATOM 857 OE1 GLU A 51 -12.045 0.390 -3.398 1.00 0.00 O ATOM 858 OE2 GLU A 51 -10.242 0.958 -2.291 1.00 0.00 O ATOM 0 H GLU A 51 -10.791 -1.257 1.614 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.619 -1.207 0.769 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -10.974 -1.601 -0.693 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.534 -1.874 -1.441 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.178 0.481 -1.054 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.686 0.775 -0.183 1.00 0.00 H new ATOM 865 N GLU A 52 -12.272 -3.730 1.992 1.00 0.00 N ATOM 866 CA GLU A 52 -12.225 -5.168 2.249 1.00 0.00 C ATOM 867 C GLU A 52 -12.888 -5.533 3.580 1.00 0.00 C ATOM 868 O GLU A 52 -13.285 -6.679 3.759 1.00 0.00 O ATOM 869 CB GLU A 52 -10.781 -5.659 2.282 1.00 0.00 C ATOM 870 CG GLU A 52 -9.986 -5.361 1.009 1.00 0.00 C ATOM 871 CD GLU A 52 -10.573 -5.950 -0.289 1.00 0.00 C ATOM 872 OE1 GLU A 52 -11.291 -6.977 -0.241 1.00 0.00 O ATOM 873 OE2 GLU A 52 -10.292 -5.394 -1.376 1.00 0.00 O ATOM 0 H GLU A 52 -11.871 -3.178 2.750 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.771 -5.649 1.437 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.273 -5.200 3.130 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.779 -6.735 2.454 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.907 -4.280 0.895 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.973 -5.743 1.136 1.00 0.00 H new ATOM 880 N GLU A 53 -13.031 -4.588 4.515 1.00 0.00 N ATOM 881 CA GLU A 53 -13.521 -4.838 5.872 1.00 0.00 C ATOM 882 C GLU A 53 -14.956 -5.395 5.921 1.00 0.00 C ATOM 883 O GLU A 53 -15.348 -5.992 6.927 1.00 0.00 O ATOM 884 CB GLU A 53 -13.380 -3.562 6.720 1.00 0.00 C ATOM 885 CG GLU A 53 -14.186 -2.362 6.192 1.00 0.00 C ATOM 886 CD GLU A 53 -14.119 -1.174 7.168 1.00 0.00 C ATOM 887 OE1 GLU A 53 -13.153 -0.374 7.103 1.00 0.00 O ATOM 888 OE2 GLU A 53 -15.042 -1.023 8.006 1.00 0.00 O ATOM 0 H GLU A 53 -12.804 -3.608 4.345 1.00 0.00 H new ATOM 0 HA GLU A 53 -12.898 -5.625 6.296 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -13.699 -3.779 7.739 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -12.327 -3.285 6.768 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -13.798 -2.059 5.219 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -15.225 -2.656 6.043 1.00 0.00 H new ATOM 895 N PHE A 54 -15.726 -5.240 4.837 1.00 0.00 N ATOM 896 CA PHE A 54 -17.086 -5.764 4.683 1.00 0.00 C ATOM 897 C PHE A 54 -17.116 -7.025 3.794 1.00 0.00 C ATOM 898 O PHE A 54 -18.196 -7.550 3.508 1.00 0.00 O ATOM 899 CB PHE A 54 -17.986 -4.645 4.130 1.00 0.00 C ATOM 900 CG PHE A 54 -17.485 -3.994 2.850 1.00 0.00 C ATOM 901 CD1 PHE A 54 -17.717 -4.603 1.599 1.00 0.00 C ATOM 902 CD2 PHE A 54 -16.770 -2.781 2.906 1.00 0.00 C ATOM 903 CE1 PHE A 54 -17.225 -4.013 0.421 1.00 0.00 C ATOM 904 CE2 PHE A 54 -16.287 -2.186 1.728 1.00 0.00 C ATOM 905 CZ PHE A 54 -16.511 -2.801 0.484 1.00 0.00 C ATOM 0 H PHE A 54 -15.407 -4.728 4.015 1.00 0.00 H new ATOM 0 HA PHE A 54 -17.465 -6.077 5.656 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -18.979 -5.055 3.947 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -18.094 -3.875 4.894 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -18.275 -5.526 1.546 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -16.592 -2.306 3.859 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -17.395 -4.490 -0.533 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -15.743 -1.255 1.779 1.00 0.00 H new ATOM 0 HZ PHE A 54 -16.137 -2.345 -0.421 1.00 0.00 H new ATOM 915 N ALA A 55 -15.949 -7.511 3.354 1.00 0.00 N ATOM 916 CA ALA A 55 -15.775 -8.640 2.450 1.00 0.00 C ATOM 917 C ALA A 55 -14.511 -9.427 2.834 1.00 0.00 C ATOM 918 O ALA A 55 -13.752 -9.861 1.962 1.00 0.00 O ATOM 919 CB ALA A 55 -15.741 -8.134 1.001 1.00 0.00 C ATOM 0 H ALA A 55 -15.059 -7.102 3.637 1.00 0.00 H new ATOM 0 HA ALA A 55 -16.616 -9.328 2.535 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -15.611 -8.978 0.324 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.677 -7.625 0.771 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.911 -7.439 0.878 1.00 0.00 H new ATOM 925 N VAL A 56 -14.283 -9.610 4.138 1.00 0.00 N ATOM 926 CA VAL A 56 -13.211 -10.429 4.701 1.00 0.00 C ATOM 927 C VAL A 56 -13.894 -11.516 5.536 1.00 0.00 C ATOM 928 O VAL A 56 -13.885 -11.538 6.767 1.00 0.00 O ATOM 929 CB VAL A 56 -12.120 -9.570 5.378 1.00 0.00 C ATOM 930 CG1 VAL A 56 -12.638 -8.611 6.457 1.00 0.00 C ATOM 931 CG2 VAL A 56 -11.011 -10.469 5.944 1.00 0.00 C ATOM 0 H VAL A 56 -14.863 -9.175 4.855 1.00 0.00 H new ATOM 0 HA VAL A 56 -12.614 -10.942 3.946 1.00 0.00 H new ATOM 0 HB VAL A 56 -11.721 -8.930 4.592 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.803 -8.050 6.876 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -13.355 -7.919 6.015 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -13.125 -9.182 7.248 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.248 -9.851 6.418 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.436 -11.151 6.681 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.560 -11.044 5.135 1.00 0.00 H new ATOM 941 N GLU A 57 -14.602 -12.378 4.809 1.00 0.00 N ATOM 942 CA GLU A 57 -15.540 -13.344 5.360 1.00 0.00 C ATOM 943 C GLU A 57 -15.653 -14.536 4.392 1.00 0.00 C ATOM 944 O GLU A 57 -16.730 -15.084 4.149 1.00 0.00 O ATOM 945 CB GLU A 57 -16.867 -12.628 5.654 1.00 0.00 C ATOM 946 CG GLU A 57 -17.425 -11.786 4.491 1.00 0.00 C ATOM 947 CD GLU A 57 -18.941 -11.558 4.644 1.00 0.00 C ATOM 948 OE1 GLU A 57 -19.365 -10.848 5.591 1.00 0.00 O ATOM 949 OE2 GLU A 57 -19.726 -12.080 3.814 1.00 0.00 O ATOM 0 H GLU A 57 -14.534 -12.422 3.792 1.00 0.00 H new ATOM 0 HA GLU A 57 -15.200 -13.758 6.309 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -17.611 -13.374 5.932 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -16.728 -11.979 6.519 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -16.912 -10.825 4.456 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -17.224 -12.289 3.545 1.00 0.00 H new ATOM 956 N GLY A 58 -14.517 -14.897 3.790 1.00 0.00 N ATOM 957 CA GLY A 58 -14.383 -15.895 2.740 1.00 0.00 C ATOM 958 C GLY A 58 -12.912 -16.288 2.579 1.00 0.00 C ATOM 959 O GLY A 58 -12.063 -15.847 3.367 1.00 0.00 O ATOM 0 H GLY A 58 -13.622 -14.475 4.039 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -14.979 -16.775 2.984 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -14.768 -15.500 1.800 1.00 0.00 H new ATOM 963 N PRO A 59 -12.603 -17.131 1.583 1.00 0.00 N ATOM 964 CA PRO A 59 -11.250 -17.588 1.309 1.00 0.00 C ATOM 965 C PRO A 59 -10.372 -16.451 0.765 1.00 0.00 C ATOM 966 O PRO A 59 -10.862 -15.375 0.413 1.00 0.00 O ATOM 967 CB PRO A 59 -11.418 -18.729 0.304 1.00 0.00 C ATOM 968 CG PRO A 59 -12.686 -18.345 -0.451 1.00 0.00 C ATOM 969 CD PRO A 59 -13.541 -17.671 0.610 1.00 0.00 C ATOM 0 HA PRO A 59 -10.737 -17.926 2.209 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -10.560 -18.807 -0.364 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -11.523 -19.693 0.803 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.471 -17.671 -1.280 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.183 -19.219 -0.871 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -14.154 -16.881 0.176 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -14.222 -18.383 1.076 1.00 0.00 H new ATOM 977 N LEU A 60 -9.073 -16.723 0.632 1.00 0.00 N ATOM 978 CA LEU A 60 -8.093 -15.856 -0.017 1.00 0.00 C ATOM 979 C LEU A 60 -7.217 -16.726 -0.916 1.00 0.00 C ATOM 980 O LEU A 60 -7.062 -17.930 -0.681 1.00 0.00 O ATOM 981 CB LEU A 60 -7.231 -15.105 1.022 1.00 0.00 C ATOM 982 CG LEU A 60 -7.914 -13.879 1.665 1.00 0.00 C ATOM 983 CD1 LEU A 60 -7.030 -13.329 2.793 1.00 0.00 C ATOM 984 CD2 LEU A 60 -8.168 -12.751 0.652 1.00 0.00 C ATOM 0 H LEU A 60 -8.661 -17.586 0.987 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.608 -15.099 -0.608 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.949 -15.802 1.811 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.309 -14.779 0.541 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.877 -14.215 2.050 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.514 -12.464 3.246 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.884 -14.100 3.550 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.063 -13.032 2.386 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.650 -11.912 1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.219 -12.423 0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.815 -13.117 -0.145 1.00 0.00 H new ATOM 996 N TRP A 61 -6.659 -16.099 -1.949 1.00 0.00 N ATOM 997 CA TRP A 61 -6.066 -16.752 -3.108 1.00 0.00 C ATOM 998 C TRP A 61 -4.940 -15.859 -3.611 1.00 0.00 C ATOM 999 O TRP A 61 -5.081 -14.635 -3.562 1.00 0.00 O ATOM 1000 CB TRP A 61 -7.146 -16.826 -4.191 1.00 0.00 C ATOM 1001 CG TRP A 61 -8.373 -17.629 -3.903 1.00 0.00 C ATOM 1002 CD1 TRP A 61 -9.491 -17.183 -3.283 1.00 0.00 C ATOM 1003 CD2 TRP A 61 -8.640 -19.013 -4.262 1.00 0.00 C ATOM 1004 NE1 TRP A 61 -10.429 -18.198 -3.246 1.00 0.00 N ATOM 1005 CE2 TRP A 61 -9.951 -19.358 -3.823 1.00 0.00 C ATOM 1006 CE3 TRP A 61 -7.898 -20.003 -4.936 1.00 0.00 C ATOM 1007 CZ2 TRP A 61 -10.496 -20.635 -4.026 1.00 0.00 C ATOM 1008 CZ3 TRP A 61 -8.434 -21.289 -5.147 1.00 0.00 C ATOM 1009 CH2 TRP A 61 -9.728 -21.608 -4.690 1.00 0.00 C ATOM 0 H TRP A 61 -6.607 -15.082 -2.001 1.00 0.00 H new ATOM 0 HA TRP A 61 -5.690 -17.746 -2.864 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -7.459 -15.808 -4.420 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -6.687 -17.229 -5.094 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -9.628 -16.190 -2.881 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -11.361 -18.102 -2.842 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -6.906 -19.773 -5.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -11.491 -20.867 -3.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -7.849 -22.036 -5.663 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -10.129 -22.598 -4.849 1.00 0.00 H new ATOM 1020 N ILE A 62 -3.859 -16.439 -4.132 1.00 0.00 N ATOM 1021 CA ILE A 62 -2.670 -15.713 -4.567 1.00 0.00 C ATOM 1022 C ILE A 62 -2.253 -16.274 -5.937 1.00 0.00 C ATOM 1023 O ILE A 62 -2.328 -17.485 -6.165 1.00 0.00 O ATOM 1024 CB ILE A 62 -1.515 -15.874 -3.535 1.00 0.00 C ATOM 1025 CG1 ILE A 62 -1.888 -15.876 -2.026 1.00 0.00 C ATOM 1026 CG2 ILE A 62 -0.400 -14.842 -3.795 1.00 0.00 C ATOM 1027 CD1 ILE A 62 -2.373 -14.558 -1.399 1.00 0.00 C ATOM 0 H ILE A 62 -3.786 -17.448 -4.265 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.889 -14.648 -4.644 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.174 -16.893 -3.719 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.667 -16.623 -1.876 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.014 -16.210 -1.467 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.396 -14.974 -3.062 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.003 -14.986 -4.798 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.809 -13.835 -3.710 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.594 -14.717 -0.344 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.595 -13.801 -1.496 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.274 -14.221 -1.912 1.00 0.00 H new ATOM 1039 N GLN A 63 -1.760 -15.405 -6.822 1.00 0.00 N ATOM 1040 CA GLN A 63 -1.038 -15.741 -8.049 1.00 0.00 C ATOM 1041 C GLN A 63 0.141 -14.765 -8.147 1.00 0.00 C ATOM 1042 O GLN A 63 0.038 -13.628 -7.693 1.00 0.00 O ATOM 1043 CB GLN A 63 -2.020 -15.656 -9.238 1.00 0.00 C ATOM 1044 CG GLN A 63 -1.389 -15.907 -10.617 1.00 0.00 C ATOM 1045 CD GLN A 63 -2.435 -15.919 -11.743 1.00 0.00 C ATOM 1046 OE1 GLN A 63 -3.498 -16.529 -11.633 1.00 0.00 O ATOM 1047 NE2 GLN A 63 -2.170 -15.246 -12.854 1.00 0.00 N ATOM 0 H GLN A 63 -1.859 -14.398 -6.695 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.641 -16.756 -8.055 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.819 -16.381 -9.083 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.481 -14.668 -9.240 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.648 -15.134 -10.821 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.861 -16.860 -10.604 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.289 -14.740 -12.946 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.847 -15.234 -13.617 1.00 0.00 H new ATOM 1056 N VAL A 64 1.279 -15.172 -8.707 1.00 0.00 N ATOM 1057 CA VAL A 64 2.507 -14.375 -8.645 1.00 0.00 C ATOM 1058 C VAL A 64 3.361 -14.647 -9.882 1.00 0.00 C ATOM 1059 O VAL A 64 3.263 -15.722 -10.477 1.00 0.00 O ATOM 1060 CB VAL A 64 3.221 -14.680 -7.310 1.00 0.00 C ATOM 1061 CG1 VAL A 64 3.946 -16.032 -7.304 1.00 0.00 C ATOM 1062 CG2 VAL A 64 4.166 -13.537 -6.933 1.00 0.00 C ATOM 0 H VAL A 64 1.378 -16.053 -9.211 1.00 0.00 H new ATOM 0 HA VAL A 64 2.294 -13.306 -8.659 1.00 0.00 H new ATOM 0 HB VAL A 64 2.444 -14.758 -6.550 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.426 -16.183 -6.337 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.227 -16.831 -7.481 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.701 -16.043 -8.090 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.660 -13.770 -5.990 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.916 -13.412 -7.714 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.596 -12.614 -6.826 1.00 0.00 H new ATOM 1072 N GLN A 65 4.228 -13.697 -10.255 1.00 0.00 N ATOM 1073 CA GLN A 65 5.304 -13.948 -11.189 1.00 0.00 C ATOM 1074 C GLN A 65 6.473 -13.038 -10.832 1.00 0.00 C ATOM 1075 O GLN A 65 6.267 -11.928 -10.335 1.00 0.00 O ATOM 1076 CB GLN A 65 4.846 -13.709 -12.635 1.00 0.00 C ATOM 1077 CG GLN A 65 4.104 -12.389 -12.878 1.00 0.00 C ATOM 1078 CD GLN A 65 2.591 -12.532 -12.766 1.00 0.00 C ATOM 1079 OE1 GLN A 65 1.930 -13.054 -13.658 1.00 0.00 O ATOM 1080 NE2 GLN A 65 1.995 -12.063 -11.681 1.00 0.00 N ATOM 0 H GLN A 65 4.193 -12.737 -9.911 1.00 0.00 H new ATOM 0 HA GLN A 65 5.613 -14.991 -11.119 1.00 0.00 H new ATOM 0 HB2 GLN A 65 5.720 -13.740 -13.285 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.197 -14.532 -12.934 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.448 -11.646 -12.158 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.356 -12.013 -13.869 1.00 0.00 H new ATOM 0 HE21 GLN A 65 2.549 -11.630 -10.942 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.982 -12.135 -11.584 1.00 0.00 H new ATOM 1089 N ALA A 66 7.682 -13.502 -11.129 1.00 0.00 N ATOM 1090 CA ALA A 66 8.882 -12.679 -11.104 1.00 0.00 C ATOM 1091 C ALA A 66 9.038 -11.999 -12.468 1.00 0.00 C ATOM 1092 O ALA A 66 8.707 -12.577 -13.508 1.00 0.00 O ATOM 1093 CB ALA A 66 10.101 -13.558 -10.799 1.00 0.00 C ATOM 0 H ALA A 66 7.856 -14.471 -11.397 1.00 0.00 H new ATOM 0 HA ALA A 66 8.803 -11.918 -10.328 1.00 0.00 H new ATOM 0 HB1 ALA A 66 10.999 -12.941 -10.781 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.970 -14.038 -9.829 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.201 -14.321 -11.571 1.00 0.00 H new ATOM 1099 N LEU A 67 9.568 -10.782 -12.445 1.00 0.00 N ATOM 1100 CA LEU A 67 9.872 -9.922 -13.576 1.00 0.00 C ATOM 1101 C LEU A 67 11.341 -9.481 -13.458 1.00 0.00 C ATOM 1102 O LEU A 67 12.053 -9.909 -12.548 1.00 0.00 O ATOM 1103 CB LEU A 67 8.899 -8.726 -13.576 1.00 0.00 C ATOM 1104 CG LEU A 67 7.434 -9.169 -13.773 1.00 0.00 C ATOM 1105 CD1 LEU A 67 6.689 -9.247 -12.457 1.00 0.00 C ATOM 1106 CD2 LEU A 67 6.661 -8.190 -14.649 1.00 0.00 C ATOM 0 H LEU A 67 9.815 -10.337 -11.561 1.00 0.00 H new ATOM 0 HA LEU A 67 9.745 -10.444 -14.524 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.990 -8.185 -12.634 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.177 -8.033 -14.370 1.00 0.00 H new ATOM 0 HG LEU A 67 7.490 -10.150 -14.245 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.662 -9.562 -12.639 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.180 -9.968 -11.803 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.689 -8.267 -11.980 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.634 -8.537 -14.764 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.661 -7.205 -14.182 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.134 -8.127 -15.629 1.00 0.00 H new ATOM 1118 N ASP A 68 11.813 -8.635 -14.381 1.00 0.00 N ATOM 1119 CA ASP A 68 13.248 -8.359 -14.531 1.00 0.00 C ATOM 1120 C ASP A 68 13.897 -7.756 -13.279 1.00 0.00 C ATOM 1121 O ASP A 68 15.058 -8.064 -12.993 1.00 0.00 O ATOM 1122 CB ASP A 68 13.493 -7.456 -15.747 1.00 0.00 C ATOM 1123 CG ASP A 68 14.999 -7.323 -16.029 1.00 0.00 C ATOM 1124 OD1 ASP A 68 15.631 -8.327 -16.437 1.00 0.00 O ATOM 1125 OD2 ASP A 68 15.560 -6.214 -15.866 1.00 0.00 O ATOM 0 H ASP A 68 11.220 -8.128 -15.038 1.00 0.00 H new ATOM 0 HA ASP A 68 13.728 -9.326 -14.684 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.989 -7.869 -16.621 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.063 -6.471 -15.567 1.00 0.00 H new ATOM 1130 N LYS A 69 13.159 -6.931 -12.514 1.00 0.00 N ATOM 1131 CA LYS A 69 13.656 -6.245 -11.305 1.00 0.00 C ATOM 1132 C LYS A 69 12.622 -6.226 -10.170 1.00 0.00 C ATOM 1133 O LYS A 69 12.648 -5.341 -9.311 1.00 0.00 O ATOM 1134 CB LYS A 69 14.139 -4.824 -11.651 1.00 0.00 C ATOM 1135 CG LYS A 69 15.324 -4.768 -12.620 1.00 0.00 C ATOM 1136 CD LYS A 69 16.631 -5.325 -12.023 1.00 0.00 C ATOM 1137 CE LYS A 69 17.810 -5.182 -12.998 1.00 0.00 C ATOM 1138 NZ LYS A 69 17.732 -6.139 -14.134 1.00 0.00 N ATOM 0 H LYS A 69 12.183 -6.718 -12.722 1.00 0.00 H new ATOM 0 HA LYS A 69 14.505 -6.818 -10.934 1.00 0.00 H new ATOM 0 HB2 LYS A 69 13.307 -4.268 -12.083 1.00 0.00 H new ATOM 0 HB3 LYS A 69 14.418 -4.315 -10.728 1.00 0.00 H new ATOM 0 HG2 LYS A 69 15.075 -5.332 -13.519 1.00 0.00 H new ATOM 0 HG3 LYS A 69 15.485 -3.734 -12.926 1.00 0.00 H new ATOM 0 HD2 LYS A 69 16.860 -4.799 -11.096 1.00 0.00 H new ATOM 0 HD3 LYS A 69 16.495 -6.376 -11.768 1.00 0.00 H new ATOM 0 HE2 LYS A 69 17.834 -4.164 -13.386 1.00 0.00 H new ATOM 0 HE3 LYS A 69 18.744 -5.339 -12.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 18.591 -6.060 -14.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 17.651 -7.108 -13.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 16.899 -5.919 -14.717 1.00 0.00 H new ATOM 1152 N GLY A 70 11.675 -7.160 -10.166 1.00 0.00 N ATOM 1153 CA GLY A 70 10.576 -7.152 -9.211 1.00 0.00 C ATOM 1154 C GLY A 70 9.644 -8.336 -9.419 1.00 0.00 C ATOM 1155 O GLY A 70 9.981 -9.285 -10.125 1.00 0.00 O ATOM 0 H GLY A 70 11.649 -7.940 -10.823 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.975 -7.176 -8.197 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.014 -6.224 -9.311 1.00 0.00 H new ATOM 1159 N LEU A 71 8.460 -8.278 -8.822 1.00 0.00 N ATOM 1160 CA LEU A 71 7.395 -9.269 -8.934 1.00 0.00 C ATOM 1161 C LEU A 71 6.091 -8.531 -9.214 1.00 0.00 C ATOM 1162 O LEU A 71 5.877 -7.445 -8.680 1.00 0.00 O ATOM 1163 CB LEU A 71 7.160 -10.016 -7.601 1.00 0.00 C ATOM 1164 CG LEU A 71 8.178 -11.019 -7.038 1.00 0.00 C ATOM 1165 CD1 LEU A 71 9.531 -10.410 -6.674 1.00 0.00 C ATOM 1166 CD2 LEU A 71 7.580 -11.602 -5.748 1.00 0.00 C ATOM 0 H LEU A 71 8.203 -7.499 -8.216 1.00 0.00 H new ATOM 0 HA LEU A 71 7.682 -9.973 -9.715 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.014 -9.254 -6.836 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.216 -10.551 -7.703 1.00 0.00 H new ATOM 0 HG LEU A 71 8.361 -11.757 -7.819 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.187 -11.188 -6.285 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.981 -9.966 -7.562 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.391 -9.640 -5.915 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.276 -12.321 -5.317 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.401 -10.798 -5.034 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.638 -12.101 -5.977 1.00 0.00 H new ATOM 1178 N GLU A 72 5.176 -9.154 -9.953 1.00 0.00 N ATOM 1179 CA GLU A 72 3.758 -8.824 -9.900 1.00 0.00 C ATOM 1180 C GLU A 72 3.091 -9.913 -9.085 1.00 0.00 C ATOM 1181 O GLU A 72 3.350 -11.104 -9.290 1.00 0.00 O ATOM 1182 CB GLU A 72 3.042 -8.776 -11.258 1.00 0.00 C ATOM 1183 CG GLU A 72 3.175 -7.469 -12.047 1.00 0.00 C ATOM 1184 CD GLU A 72 2.225 -7.480 -13.257 1.00 0.00 C ATOM 1185 OE1 GLU A 72 1.025 -7.149 -13.096 1.00 0.00 O ATOM 1186 OE2 GLU A 72 2.669 -7.826 -14.378 1.00 0.00 O ATOM 0 H GLU A 72 5.400 -9.904 -10.607 1.00 0.00 H new ATOM 0 HA GLU A 72 3.685 -7.821 -9.480 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.423 -9.589 -11.875 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.982 -8.971 -11.094 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.944 -6.621 -11.402 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.204 -7.342 -12.384 1.00 0.00 H new ATOM 1193 N ILE A 73 2.171 -9.494 -8.232 1.00 0.00 N ATOM 1194 CA ILE A 73 1.417 -10.324 -7.331 1.00 0.00 C ATOM 1195 C ILE A 73 -0.047 -9.971 -7.602 1.00 0.00 C ATOM 1196 O ILE A 73 -0.415 -8.799 -7.592 1.00 0.00 O ATOM 1197 CB ILE A 73 1.785 -10.016 -5.859 1.00 0.00 C ATOM 1198 CG1 ILE A 73 3.266 -10.027 -5.389 1.00 0.00 C ATOM 1199 CG2 ILE A 73 1.032 -11.004 -4.956 1.00 0.00 C ATOM 1200 CD1 ILE A 73 4.187 -8.981 -6.020 1.00 0.00 C ATOM 0 H ILE A 73 1.923 -8.508 -8.152 1.00 0.00 H new ATOM 0 HA ILE A 73 1.622 -11.383 -7.486 1.00 0.00 H new ATOM 0 HB ILE A 73 1.506 -8.965 -5.784 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.282 -9.889 -4.308 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.681 -11.014 -5.591 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.278 -10.804 -3.913 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.041 -10.887 -5.105 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.325 -12.023 -5.208 1.00 0.00 H new ATOM 0 HD11 ILE A 73 5.192 -9.089 -5.613 1.00 0.00 H new ATOM 0 HD12 ILE A 73 4.215 -9.125 -7.100 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.810 -7.983 -5.797 1.00 0.00 H new ATOM 1212 N ILE A 74 -0.889 -10.971 -7.830 1.00 0.00 N ATOM 1213 CA ILE A 74 -2.343 -10.857 -7.914 1.00 0.00 C ATOM 1214 C ILE A 74 -2.874 -11.604 -6.680 1.00 0.00 C ATOM 1215 O ILE A 74 -2.347 -12.662 -6.331 1.00 0.00 O ATOM 1216 CB ILE A 74 -2.831 -11.475 -9.254 1.00 0.00 C ATOM 1217 CG1 ILE A 74 -2.549 -10.647 -10.533 1.00 0.00 C ATOM 1218 CG2 ILE A 74 -4.346 -11.723 -9.239 1.00 0.00 C ATOM 1219 CD1 ILE A 74 -1.080 -10.327 -10.843 1.00 0.00 C ATOM 0 H ILE A 74 -0.564 -11.928 -7.968 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.702 -9.828 -7.912 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.246 -12.393 -9.309 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -2.966 -11.185 -11.384 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.092 -9.705 -10.454 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.653 -12.155 -10.191 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -4.594 -12.411 -8.431 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.868 -10.779 -9.084 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.021 -9.744 -11.762 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.651 -9.753 -10.021 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.523 -11.256 -10.966 1.00 0.00 H new ATOM 1231 N VAL A 75 -3.934 -11.113 -6.035 1.00 0.00 N ATOM 1232 CA VAL A 75 -4.622 -11.832 -4.970 1.00 0.00 C ATOM 1233 C VAL A 75 -6.126 -11.704 -5.191 1.00 0.00 C ATOM 1234 O VAL A 75 -6.597 -10.638 -5.592 1.00 0.00 O ATOM 1235 CB VAL A 75 -4.147 -11.393 -3.572 1.00 0.00 C ATOM 1236 CG1 VAL A 75 -2.687 -11.746 -3.307 1.00 0.00 C ATOM 1237 CG2 VAL A 75 -4.214 -9.894 -3.342 1.00 0.00 C ATOM 0 H VAL A 75 -4.339 -10.200 -6.241 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.369 -12.892 -5.009 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.832 -11.926 -2.913 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.408 -11.413 -2.307 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.555 -12.825 -3.380 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.054 -11.252 -4.044 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.863 -9.664 -2.336 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.583 -9.385 -4.071 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.244 -9.554 -3.454 1.00 0.00 H new ATOM 1247 N THR A 76 -6.875 -12.790 -4.992 1.00 0.00 N ATOM 1248 CA THR A 76 -8.220 -12.944 -5.539 1.00 0.00 C ATOM 1249 C THR A 76 -9.183 -13.466 -4.470 1.00 0.00 C ATOM 1250 O THR A 76 -8.756 -13.943 -3.413 1.00 0.00 O ATOM 1251 CB THR A 76 -8.202 -13.847 -6.807 1.00 0.00 C ATOM 1252 OG1 THR A 76 -8.181 -15.227 -6.535 1.00 0.00 O ATOM 1253 CG2 THR A 76 -7.001 -13.629 -7.736 1.00 0.00 C ATOM 0 H THR A 76 -6.562 -13.591 -4.443 1.00 0.00 H new ATOM 0 HA THR A 76 -8.584 -11.965 -5.849 1.00 0.00 H new ATOM 0 HB THR A 76 -9.133 -13.540 -7.283 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.172 -15.727 -7.378 1.00 0.00 H new ATOM 0 HG21 THR A 76 -7.075 -14.302 -8.591 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.994 -12.597 -8.086 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.079 -13.834 -7.192 1.00 0.00 H new ATOM 1261 N LYS A 77 -10.489 -13.396 -4.754 1.00 0.00 N ATOM 1262 CA LYS A 77 -11.566 -14.050 -4.019 1.00 0.00 C ATOM 1263 C LYS A 77 -12.576 -14.649 -4.987 1.00 0.00 C ATOM 1264 O LYS A 77 -12.558 -14.361 -6.187 1.00 0.00 O ATOM 1265 CB LYS A 77 -12.248 -13.040 -3.087 1.00 0.00 C ATOM 1266 CG LYS A 77 -11.263 -12.698 -1.976 1.00 0.00 C ATOM 1267 CD LYS A 77 -11.829 -11.762 -0.928 1.00 0.00 C ATOM 1268 CE LYS A 77 -11.633 -10.283 -1.305 1.00 0.00 C ATOM 1269 NZ LYS A 77 -12.539 -9.373 -0.562 1.00 0.00 N ATOM 0 H LYS A 77 -10.836 -12.852 -5.544 1.00 0.00 H new ATOM 0 HA LYS A 77 -11.148 -14.856 -3.417 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.531 -12.143 -3.637 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -13.163 -13.461 -2.671 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.941 -13.620 -1.491 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.376 -12.243 -2.416 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.892 -11.965 -0.798 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -11.348 -11.958 0.030 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.599 -9.997 -1.110 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.801 -10.161 -2.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -12.017 -8.520 -0.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.337 -9.103 -1.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -12.899 -9.857 0.285 1.00 0.00 H new