USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 669 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 86 HIS : no HD1:sc= -0.645! C(o=-4.8!,f=-9!) USER MOD Set 1.2: A 87 HIS : no HD1:sc= -4.11! C(o=-4.8!,f=-15!) USER MOD Set 2.1: A 48 CYS SG : rot -52:sc= -0.154 USER MOD Set 2.2: A 50 THR OG1 : rot 180:sc= -0.606 USER MOD Set 2.3: A 51 CYS SG : rot 50:sc= 0.173 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 150:sc= 1.3 (180deg=-1.55) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -1.01 K(o=-1,f=0) USER MOD Single : A 30 CYS SG : rot 152:sc= -4.44! USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0433 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.709 X(o=-0.71,f=-0.28) USER MOD Single : A 45 HIS : no HD1:sc= -1.13 K(o=-1.1,f=-0.22) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -160:sc= -0.183 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -168:sc= -0.724 (180deg=-1.27) USER MOD Single : A 67 HIS : no HE2:sc= -0.646 K(o=-0.65,f=-1.8) USER MOD Single : A 78 GLN : amide:sc= -1.63 K(o=-1.6,f=-0.49) USER MOD Single : A 83 HIS : no HD1:sc= -0.925 K(o=-0.93,f=-4.1!) USER MOD Single : A 84 HIS : no HE2:sc= -0.103 K(o=-0.1,f=-3.4!) USER MOD Single : A 85 HIS : no HD1:sc= -3.17! C(o=-3.2!,f=-2.6!) USER MOD Single : A 88 HIS : no HD1:sc= -0.368 X(o=-0.37,f=-0.032) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.430 -20.813 -1.603 1.00 0.00 N ATOM 2 CA MET A 1 4.993 -21.168 -0.269 1.00 0.00 C ATOM 3 C MET A 1 4.262 -22.394 0.281 1.00 0.00 C ATOM 4 O MET A 1 3.128 -22.677 -0.108 1.00 0.00 O ATOM 5 CB MET A 1 4.844 -19.979 0.693 1.00 0.00 C ATOM 6 CG MET A 1 3.568 -19.192 0.372 1.00 0.00 C ATOM 7 SD MET A 1 3.926 -17.947 -0.896 1.00 0.00 S ATOM 8 CE MET A 1 3.862 -16.486 0.173 1.00 0.00 C ATOM 0 H1 MET A 1 4.514 -19.787 -1.753 1.00 0.00 H new ATOM 0 H2 MET A 1 4.955 -21.316 -2.346 1.00 0.00 H new ATOM 0 H3 MET A 1 3.428 -21.088 -1.641 1.00 0.00 H new ATOM 0 HA MET A 1 6.053 -21.402 -0.370 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.810 -20.337 1.722 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.713 -19.326 0.612 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.789 -19.869 0.022 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.189 -18.710 1.273 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.059 -15.593 -0.420 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.874 -16.410 0.627 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.615 -16.575 0.956 1.00 0.00 H new ATOM 20 N PRO A 2 4.897 -23.126 1.167 1.00 0.00 N ATOM 21 CA PRO A 2 4.316 -24.356 1.784 1.00 0.00 C ATOM 22 C PRO A 2 2.871 -24.153 2.242 1.00 0.00 C ATOM 23 O PRO A 2 2.486 -23.048 2.627 1.00 0.00 O ATOM 24 CB PRO A 2 5.225 -24.650 2.988 1.00 0.00 C ATOM 25 CG PRO A 2 6.276 -23.580 3.020 1.00 0.00 C ATOM 26 CD PRO A 2 6.246 -22.858 1.675 1.00 0.00 C ATOM 0 HA PRO A 2 4.278 -25.176 1.066 1.00 0.00 H new ATOM 0 HB2 PRO A 2 4.649 -24.652 3.914 1.00 0.00 H new ATOM 0 HB3 PRO A 2 5.681 -25.635 2.894 1.00 0.00 H new ATOM 0 HG2 PRO A 2 6.085 -22.880 3.834 1.00 0.00 H new ATOM 0 HG3 PRO A 2 7.259 -24.015 3.198 1.00 0.00 H new ATOM 0 HD2 PRO A 2 6.426 -21.789 1.790 1.00 0.00 H new ATOM 0 HD3 PRO A 2 7.012 -23.239 0.999 1.00 0.00 H new ATOM 34 N THR A 3 2.077 -25.228 2.197 1.00 0.00 N ATOM 35 CA THR A 3 0.675 -25.160 2.611 1.00 0.00 C ATOM 36 C THR A 3 -0.086 -24.162 1.735 1.00 0.00 C ATOM 37 O THR A 3 0.508 -23.490 0.889 1.00 0.00 O ATOM 38 CB THR A 3 0.586 -24.745 4.089 1.00 0.00 C ATOM 39 OG1 THR A 3 1.522 -25.498 4.845 1.00 0.00 O ATOM 40 CG2 THR A 3 -0.827 -25.001 4.629 1.00 0.00 C ATOM 0 H THR A 3 2.380 -26.149 1.880 1.00 0.00 H new ATOM 0 HA THR A 3 0.222 -26.144 2.492 1.00 0.00 H new ATOM 0 HB THR A 3 0.810 -23.682 4.173 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.469 -25.234 5.787 1.00 0.00 H new ATOM 0 HG21 THR A 3 -0.876 -24.703 5.676 1.00 0.00 H new ATOM 0 HG22 THR A 3 -1.547 -24.421 4.052 1.00 0.00 H new ATOM 0 HG23 THR A 3 -1.063 -26.062 4.542 1.00 0.00 H new ATOM 48 N GLU A 4 -1.396 -24.074 1.939 1.00 0.00 N ATOM 49 CA GLU A 4 -2.219 -23.155 1.161 1.00 0.00 C ATOM 50 C GLU A 4 -2.947 -22.170 2.075 1.00 0.00 C ATOM 51 O GLU A 4 -3.939 -21.558 1.678 1.00 0.00 O ATOM 52 CB GLU A 4 -3.237 -23.934 0.321 1.00 0.00 C ATOM 53 CG GLU A 4 -3.590 -23.126 -0.937 1.00 0.00 C ATOM 54 CD GLU A 4 -2.536 -23.330 -2.031 1.00 0.00 C ATOM 55 OE1 GLU A 4 -1.399 -23.628 -1.698 1.00 0.00 O ATOM 56 OE2 GLU A 4 -2.884 -23.175 -3.191 1.00 0.00 O ATOM 0 H GLU A 4 -1.907 -24.623 2.630 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.563 -22.593 0.497 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.826 -24.904 0.040 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.136 -24.126 0.906 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.569 -23.431 -1.308 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.660 -22.067 -0.687 1.00 0.00 H new ATOM 63 N ASN A 5 -2.438 -22.016 3.295 1.00 0.00 N ATOM 64 CA ASN A 5 -3.040 -21.095 4.260 1.00 0.00 C ATOM 65 C ASN A 5 -2.159 -19.853 4.429 1.00 0.00 C ATOM 66 O ASN A 5 -2.662 -18.729 4.391 1.00 0.00 O ATOM 67 CB ASN A 5 -3.227 -21.790 5.613 1.00 0.00 C ATOM 68 CG ASN A 5 -4.705 -21.793 6.002 1.00 0.00 C ATOM 69 OD1 ASN A 5 -5.294 -20.734 6.215 1.00 0.00 O ATOM 70 ND2 ASN A 5 -5.343 -22.929 6.105 1.00 0.00 N ATOM 0 H ASN A 5 -1.616 -22.512 3.639 1.00 0.00 H new ATOM 0 HA ASN A 5 -4.016 -20.788 3.883 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.855 -22.813 5.560 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -2.643 -21.278 6.378 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -6.330 -22.938 6.362 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -4.854 -23.806 5.928 1.00 0.00 H new ATOM 77 N PRO A 6 -0.860 -20.023 4.579 1.00 0.00 N ATOM 78 CA PRO A 6 0.089 -18.884 4.714 1.00 0.00 C ATOM 79 C PRO A 6 0.366 -18.241 3.353 1.00 0.00 C ATOM 80 O PRO A 6 1.517 -17.999 2.985 1.00 0.00 O ATOM 81 CB PRO A 6 1.369 -19.514 5.293 1.00 0.00 C ATOM 82 CG PRO A 6 1.097 -20.979 5.458 1.00 0.00 C ATOM 83 CD PRO A 6 -0.155 -21.306 4.647 1.00 0.00 C ATOM 0 HA PRO A 6 -0.305 -18.091 5.349 1.00 0.00 H new ATOM 0 HB2 PRO A 6 2.215 -19.351 4.626 1.00 0.00 H new ATOM 0 HB3 PRO A 6 1.625 -19.059 6.250 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.945 -21.568 5.109 1.00 0.00 H new ATOM 0 HG3 PRO A 6 0.948 -21.226 6.509 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.096 -21.680 3.654 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -0.760 -22.072 5.133 1.00 0.00 H new ATOM 91 N THR A 7 -0.704 -17.985 2.606 1.00 0.00 N ATOM 92 CA THR A 7 -0.588 -17.390 1.278 1.00 0.00 C ATOM 93 C THR A 7 -0.129 -15.937 1.368 1.00 0.00 C ATOM 94 O THR A 7 0.094 -15.413 2.460 1.00 0.00 O ATOM 95 CB THR A 7 -1.944 -17.468 0.564 1.00 0.00 C ATOM 96 OG1 THR A 7 -2.896 -16.683 1.270 1.00 0.00 O ATOM 97 CG2 THR A 7 -2.417 -18.925 0.515 1.00 0.00 C ATOM 0 H THR A 7 -1.662 -18.180 2.898 1.00 0.00 H new ATOM 0 HA THR A 7 0.158 -17.946 0.711 1.00 0.00 H new ATOM 0 HB THR A 7 -1.841 -17.088 -0.452 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.762 -16.731 0.814 1.00 0.00 H new ATOM 0 HG21 THR A 7 -3.380 -18.978 0.008 1.00 0.00 H new ATOM 0 HG22 THR A 7 -1.687 -19.526 -0.027 1.00 0.00 H new ATOM 0 HG23 THR A 7 -2.520 -19.308 1.530 1.00 0.00 H new ATOM 105 N MET A 8 0.022 -15.293 0.209 1.00 0.00 N ATOM 106 CA MET A 8 0.465 -13.901 0.160 1.00 0.00 C ATOM 107 C MET A 8 -0.315 -13.049 1.151 1.00 0.00 C ATOM 108 O MET A 8 0.273 -12.330 1.959 1.00 0.00 O ATOM 109 CB MET A 8 0.280 -13.341 -1.253 1.00 0.00 C ATOM 110 CG MET A 8 1.230 -14.056 -2.215 1.00 0.00 C ATOM 111 SD MET A 8 1.275 -13.162 -3.789 1.00 0.00 S ATOM 112 CE MET A 8 1.931 -14.512 -4.801 1.00 0.00 C ATOM 0 H MET A 8 -0.155 -15.712 -0.704 1.00 0.00 H new ATOM 0 HA MET A 8 1.521 -13.871 0.429 1.00 0.00 H new ATOM 0 HB2 MET A 8 -0.752 -13.476 -1.577 1.00 0.00 H new ATOM 0 HB3 MET A 8 0.478 -12.269 -1.259 1.00 0.00 H new ATOM 0 HG2 MET A 8 2.230 -14.108 -1.785 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.899 -15.082 -2.376 1.00 0.00 H new ATOM 0 HE1 MET A 8 2.041 -14.174 -5.831 1.00 0.00 H new ATOM 0 HE2 MET A 8 2.903 -14.818 -4.414 1.00 0.00 H new ATOM 0 HE3 MET A 8 1.245 -15.358 -4.768 1.00 0.00 H new ATOM 122 N PHE A 9 -1.641 -13.141 1.082 1.00 0.00 N ATOM 123 CA PHE A 9 -2.506 -12.380 1.977 1.00 0.00 C ATOM 124 C PHE A 9 -1.937 -12.362 3.396 1.00 0.00 C ATOM 125 O PHE A 9 -1.903 -11.320 4.045 1.00 0.00 O ATOM 126 CB PHE A 9 -3.905 -13.003 1.986 1.00 0.00 C ATOM 127 CG PHE A 9 -4.864 -12.095 2.721 1.00 0.00 C ATOM 128 CD1 PHE A 9 -4.949 -12.149 4.118 1.00 0.00 C ATOM 129 CD2 PHE A 9 -5.672 -11.202 2.005 1.00 0.00 C ATOM 130 CE1 PHE A 9 -5.839 -11.313 4.798 1.00 0.00 C ATOM 131 CE2 PHE A 9 -6.561 -10.365 2.686 1.00 0.00 C ATOM 132 CZ PHE A 9 -6.647 -10.420 4.082 1.00 0.00 C ATOM 0 H PHE A 9 -2.138 -13.734 0.417 1.00 0.00 H new ATOM 0 HA PHE A 9 -2.564 -11.353 1.618 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -4.250 -13.161 0.964 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.875 -13.981 2.467 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.326 -12.837 4.670 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.608 -11.160 0.928 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.904 -11.355 5.875 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -7.182 -9.675 2.134 1.00 0.00 H new ATOM 0 HZ PHE A 9 -7.336 -9.775 4.607 1.00 0.00 H new ATOM 142 N ASP A 10 -1.487 -13.525 3.864 1.00 0.00 N ATOM 143 CA ASP A 10 -0.914 -13.640 5.203 1.00 0.00 C ATOM 144 C ASP A 10 0.271 -12.690 5.373 1.00 0.00 C ATOM 145 O ASP A 10 0.300 -11.875 6.294 1.00 0.00 O ATOM 146 CB ASP A 10 -0.455 -15.084 5.450 1.00 0.00 C ATOM 147 CG ASP A 10 -0.172 -15.321 6.936 1.00 0.00 C ATOM 148 OD1 ASP A 10 0.181 -14.373 7.621 1.00 0.00 O ATOM 149 OD2 ASP A 10 -0.311 -16.454 7.367 1.00 0.00 O ATOM 0 H ASP A 10 -1.508 -14.398 3.337 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.682 -13.370 5.928 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -1.223 -15.778 5.107 1.00 0.00 H new ATOM 0 HB3 ASP A 10 0.443 -15.289 4.867 1.00 0.00 H new ATOM 154 N GLN A 11 1.251 -12.818 4.480 1.00 0.00 N ATOM 155 CA GLN A 11 2.454 -11.987 4.530 1.00 0.00 C ATOM 156 C GLN A 11 2.117 -10.509 4.460 1.00 0.00 C ATOM 157 O GLN A 11 2.353 -9.771 5.412 1.00 0.00 O ATOM 158 CB GLN A 11 3.373 -12.340 3.358 1.00 0.00 C ATOM 159 CG GLN A 11 4.762 -12.721 3.881 1.00 0.00 C ATOM 160 CD GLN A 11 5.656 -13.176 2.728 1.00 0.00 C ATOM 161 OE1 GLN A 11 6.742 -13.710 2.958 1.00 0.00 O ATOM 162 NE2 GLN A 11 5.265 -12.996 1.496 1.00 0.00 N ATOM 0 H GLN A 11 1.236 -13.490 3.712 1.00 0.00 H new ATOM 0 HA GLN A 11 2.952 -12.184 5.479 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.950 -13.168 2.789 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.451 -11.492 2.677 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.215 -11.868 4.386 1.00 0.00 H new ATOM 0 HG3 GLN A 11 4.674 -13.519 4.619 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.366 -12.554 1.306 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.859 -13.298 0.723 1.00 0.00 H new ATOM 171 N VAL A 12 1.580 -10.079 3.327 1.00 0.00 N ATOM 172 CA VAL A 12 1.237 -8.676 3.148 1.00 0.00 C ATOM 173 C VAL A 12 0.440 -8.184 4.338 1.00 0.00 C ATOM 174 O VAL A 12 0.798 -7.186 4.961 1.00 0.00 O ATOM 175 CB VAL A 12 0.443 -8.486 1.848 1.00 0.00 C ATOM 176 CG1 VAL A 12 0.984 -9.436 0.795 1.00 0.00 C ATOM 177 CG2 VAL A 12 -1.038 -8.802 2.064 1.00 0.00 C ATOM 0 H VAL A 12 1.374 -10.675 2.525 1.00 0.00 H new ATOM 0 HA VAL A 12 2.154 -8.091 3.078 1.00 0.00 H new ATOM 0 HB VAL A 12 0.546 -7.449 1.529 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.425 -9.308 -0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.037 -9.220 0.617 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.878 -10.463 1.143 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.580 -8.660 1.129 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.145 -9.836 2.393 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.445 -8.135 2.824 1.00 0.00 H new ATOM 187 N ALA A 13 -0.632 -8.894 4.664 1.00 0.00 N ATOM 188 CA ALA A 13 -1.449 -8.514 5.796 1.00 0.00 C ATOM 189 C ALA A 13 -0.570 -8.339 7.029 1.00 0.00 C ATOM 190 O ALA A 13 -0.683 -7.349 7.754 1.00 0.00 O ATOM 191 CB ALA A 13 -2.522 -9.571 6.070 1.00 0.00 C ATOM 0 H ALA A 13 -0.949 -9.725 4.165 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.944 -7.571 5.565 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.124 -9.265 6.925 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.162 -9.675 5.194 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.044 -10.527 6.286 1.00 0.00 H new ATOM 197 N GLU A 14 0.312 -9.316 7.252 1.00 0.00 N ATOM 198 CA GLU A 14 1.223 -9.279 8.393 1.00 0.00 C ATOM 199 C GLU A 14 2.204 -8.115 8.271 1.00 0.00 C ATOM 200 O GLU A 14 2.330 -7.297 9.183 1.00 0.00 O ATOM 201 CB GLU A 14 1.997 -10.597 8.493 1.00 0.00 C ATOM 202 CG GLU A 14 2.731 -10.666 9.839 1.00 0.00 C ATOM 203 CD GLU A 14 3.791 -11.770 9.825 1.00 0.00 C ATOM 204 OE1 GLU A 14 4.007 -12.359 8.777 1.00 0.00 O ATOM 205 OE2 GLU A 14 4.375 -12.009 10.868 1.00 0.00 O ATOM 0 H GLU A 14 0.413 -10.139 6.658 1.00 0.00 H new ATOM 0 HA GLU A 14 0.629 -9.139 9.296 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.312 -11.440 8.398 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.712 -10.673 7.674 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.202 -9.706 10.051 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.015 -10.853 10.639 1.00 0.00 H new ATOM 212 N VAL A 15 2.904 -8.066 7.141 1.00 0.00 N ATOM 213 CA VAL A 15 3.892 -7.018 6.895 1.00 0.00 C ATOM 214 C VAL A 15 3.256 -5.634 6.989 1.00 0.00 C ATOM 215 O VAL A 15 3.776 -4.752 7.673 1.00 0.00 O ATOM 216 CB VAL A 15 4.513 -7.207 5.504 1.00 0.00 C ATOM 217 CG1 VAL A 15 5.629 -6.181 5.294 1.00 0.00 C ATOM 218 CG2 VAL A 15 5.098 -8.621 5.391 1.00 0.00 C ATOM 0 H VAL A 15 2.806 -8.739 6.381 1.00 0.00 H new ATOM 0 HA VAL A 15 4.668 -7.093 7.657 1.00 0.00 H new ATOM 0 HB VAL A 15 3.743 -7.067 4.745 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.068 -6.318 4.306 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.218 -5.175 5.372 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.398 -6.319 6.054 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.539 -8.755 4.403 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.866 -8.759 6.152 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.306 -9.355 5.537 1.00 0.00 H new ATOM 228 N ILE A 16 2.129 -5.448 6.303 1.00 0.00 N ATOM 229 CA ILE A 16 1.434 -4.164 6.326 1.00 0.00 C ATOM 230 C ILE A 16 1.167 -3.738 7.765 1.00 0.00 C ATOM 231 O ILE A 16 1.648 -2.700 8.213 1.00 0.00 O ATOM 232 CB ILE A 16 0.109 -4.266 5.562 1.00 0.00 C ATOM 233 CG1 ILE A 16 0.397 -4.474 4.070 1.00 0.00 C ATOM 234 CG2 ILE A 16 -0.702 -2.977 5.749 1.00 0.00 C ATOM 235 CD1 ILE A 16 -0.783 -5.190 3.411 1.00 0.00 C ATOM 0 H ILE A 16 1.682 -6.163 5.730 1.00 0.00 H new ATOM 0 HA ILE A 16 2.065 -3.417 5.844 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.464 -5.109 5.948 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.568 -3.513 3.585 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.307 -5.061 3.944 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.642 -3.056 5.203 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.909 -2.828 6.809 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.132 -2.130 5.368 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.574 -5.336 2.351 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.933 -6.159 3.888 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.684 -4.587 3.524 1.00 0.00 H new ATOM 247 N GLU A 17 0.399 -4.554 8.484 1.00 0.00 N ATOM 248 CA GLU A 17 0.074 -4.262 9.877 1.00 0.00 C ATOM 249 C GLU A 17 1.345 -4.040 10.691 1.00 0.00 C ATOM 250 O GLU A 17 1.374 -3.208 11.599 1.00 0.00 O ATOM 251 CB GLU A 17 -0.728 -5.416 10.481 1.00 0.00 C ATOM 252 CG GLU A 17 -2.161 -5.380 9.940 1.00 0.00 C ATOM 253 CD GLU A 17 -2.876 -6.686 10.273 1.00 0.00 C ATOM 254 OE1 GLU A 17 -3.108 -6.929 11.447 1.00 0.00 O ATOM 255 OE2 GLU A 17 -3.184 -7.423 9.351 1.00 0.00 O ATOM 0 H GLU A 17 -0.008 -5.418 8.127 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.524 -3.351 9.906 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.258 -6.368 10.234 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.736 -5.337 11.568 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.702 -4.539 10.374 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.148 -5.228 8.861 1.00 0.00 H new ATOM 262 N ARG A 18 2.394 -4.790 10.359 1.00 0.00 N ATOM 263 CA ARG A 18 3.667 -4.671 11.063 1.00 0.00 C ATOM 264 C ARG A 18 4.292 -3.298 10.819 1.00 0.00 C ATOM 265 O ARG A 18 4.687 -2.612 11.759 1.00 0.00 O ATOM 266 CB ARG A 18 4.630 -5.766 10.587 1.00 0.00 C ATOM 267 CG ARG A 18 5.803 -5.890 11.564 1.00 0.00 C ATOM 268 CD ARG A 18 5.350 -6.633 12.824 1.00 0.00 C ATOM 269 NE ARG A 18 6.496 -7.254 13.483 1.00 0.00 N ATOM 270 CZ ARG A 18 7.137 -6.646 14.477 1.00 0.00 C ATOM 271 NH1 ARG A 18 6.478 -5.914 15.334 1.00 0.00 N ATOM 272 NH2 ARG A 18 8.429 -6.782 14.597 1.00 0.00 N ATOM 0 H ARG A 18 2.387 -5.483 9.611 1.00 0.00 H new ATOM 0 HA ARG A 18 3.482 -4.787 12.131 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.104 -6.718 10.514 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.000 -5.529 9.590 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.627 -6.425 11.092 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.175 -4.900 11.828 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.860 -5.940 13.508 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.616 -7.394 12.562 1.00 0.00 H new ATOM 0 HE ARG A 18 6.811 -8.174 13.174 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.468 -5.807 15.243 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.973 -5.449 16.095 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.946 -7.354 13.929 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.922 -6.316 15.359 1.00 0.00 H new ATOM 286 N LEU A 19 4.388 -2.915 9.548 1.00 0.00 N ATOM 287 CA LEU A 19 4.977 -1.628 9.178 1.00 0.00 C ATOM 288 C LEU A 19 4.000 -0.470 9.402 1.00 0.00 C ATOM 289 O LEU A 19 4.419 0.681 9.525 1.00 0.00 O ATOM 290 CB LEU A 19 5.416 -1.659 7.711 1.00 0.00 C ATOM 291 CG LEU A 19 6.717 -0.863 7.548 1.00 0.00 C ATOM 292 CD1 LEU A 19 7.914 -1.763 7.867 1.00 0.00 C ATOM 293 CD2 LEU A 19 6.831 -0.359 6.107 1.00 0.00 C ATOM 0 H LEU A 19 4.067 -3.475 8.758 1.00 0.00 H new ATOM 0 HA LEU A 19 5.843 -1.463 9.819 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.565 -2.689 7.387 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.636 -1.235 7.078 1.00 0.00 H new ATOM 0 HG LEU A 19 6.708 -0.014 8.232 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.837 -1.195 7.751 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.836 -2.122 8.893 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.922 -2.613 7.185 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.756 0.207 5.991 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.837 -1.208 5.424 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.981 0.284 5.878 1.00 0.00 H new ATOM 305 N ARG A 20 2.702 -0.779 9.437 1.00 0.00 N ATOM 306 CA ARG A 20 1.669 0.243 9.632 1.00 0.00 C ATOM 307 C ARG A 20 2.122 1.331 10.611 1.00 0.00 C ATOM 308 O ARG A 20 2.093 2.513 10.274 1.00 0.00 O ATOM 309 CB ARG A 20 0.375 -0.401 10.141 1.00 0.00 C ATOM 310 CG ARG A 20 -0.656 0.691 10.453 1.00 0.00 C ATOM 311 CD ARG A 20 -2.002 0.043 10.778 1.00 0.00 C ATOM 312 NE ARG A 20 -2.582 -0.544 9.574 1.00 0.00 N ATOM 313 CZ ARG A 20 -3.693 -1.270 9.632 1.00 0.00 C ATOM 314 NH1 ARG A 20 -4.821 -0.709 9.974 1.00 0.00 N ATOM 315 NH2 ARG A 20 -3.657 -2.539 9.341 1.00 0.00 N ATOM 0 H ARG A 20 2.341 -1.727 9.333 1.00 0.00 H new ATOM 0 HA ARG A 20 1.489 0.713 8.665 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.021 -1.086 9.391 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.578 -0.990 11.035 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.318 1.295 11.295 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.760 1.362 9.601 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.869 -0.726 11.539 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.682 0.787 11.192 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.127 -0.394 8.674 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.849 0.286 10.196 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.675 -1.266 10.019 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.776 -2.975 9.069 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.510 -3.097 9.385 1.00 0.00 H new ATOM 329 N PRO A 21 2.531 0.964 11.808 1.00 0.00 N ATOM 330 CA PRO A 21 2.989 1.939 12.841 1.00 0.00 C ATOM 331 C PRO A 21 3.865 3.045 12.253 1.00 0.00 C ATOM 332 O PRO A 21 3.776 4.202 12.664 1.00 0.00 O ATOM 333 CB PRO A 21 3.777 1.086 13.848 1.00 0.00 C ATOM 334 CG PRO A 21 3.737 -0.326 13.343 1.00 0.00 C ATOM 335 CD PRO A 21 2.606 -0.406 12.323 1.00 0.00 C ATOM 0 HA PRO A 21 2.148 2.462 13.296 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.805 1.438 13.932 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.335 1.154 14.842 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.688 -0.598 12.886 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.566 -1.024 14.163 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.825 -1.123 11.532 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.668 -0.716 12.784 1.00 0.00 H new ATOM 343 N PHE A 22 4.702 2.681 11.286 1.00 0.00 N ATOM 344 CA PHE A 22 5.584 3.649 10.641 1.00 0.00 C ATOM 345 C PHE A 22 4.800 4.484 9.634 1.00 0.00 C ATOM 346 O PHE A 22 4.887 5.712 9.624 1.00 0.00 O ATOM 347 CB PHE A 22 6.723 2.918 9.924 1.00 0.00 C ATOM 348 CG PHE A 22 7.804 3.904 9.543 1.00 0.00 C ATOM 349 CD1 PHE A 22 8.540 4.558 10.540 1.00 0.00 C ATOM 350 CD2 PHE A 22 8.075 4.159 8.194 1.00 0.00 C ATOM 351 CE1 PHE A 22 9.541 5.470 10.186 1.00 0.00 C ATOM 352 CE2 PHE A 22 9.076 5.069 7.840 1.00 0.00 C ATOM 353 CZ PHE A 22 9.811 5.724 8.836 1.00 0.00 C ATOM 0 H PHE A 22 4.788 1.728 10.933 1.00 0.00 H new ATOM 0 HA PHE A 22 6.000 4.307 11.404 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.135 2.144 10.572 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.343 2.419 9.033 1.00 0.00 H new ATOM 0 HD1 PHE A 22 8.335 4.358 11.581 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.510 3.652 7.425 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.105 5.978 10.954 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.282 5.267 6.798 1.00 0.00 H new ATOM 0 HZ PHE A 22 10.586 6.425 8.563 1.00 0.00 H new ATOM 363 N LEU A 23 4.031 3.800 8.787 1.00 0.00 N ATOM 364 CA LEU A 23 3.229 4.471 7.771 1.00 0.00 C ATOM 365 C LEU A 23 2.227 5.428 8.411 1.00 0.00 C ATOM 366 O LEU A 23 2.044 6.544 7.942 1.00 0.00 O ATOM 367 CB LEU A 23 2.480 3.437 6.923 1.00 0.00 C ATOM 368 CG LEU A 23 3.477 2.444 6.311 1.00 0.00 C ATOM 369 CD1 LEU A 23 2.712 1.321 5.604 1.00 0.00 C ATOM 370 CD2 LEU A 23 4.370 3.166 5.297 1.00 0.00 C ATOM 0 H LEU A 23 3.948 2.783 8.786 1.00 0.00 H new ATOM 0 HA LEU A 23 3.902 5.045 7.134 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.755 2.905 7.539 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.921 3.938 6.133 1.00 0.00 H new ATOM 0 HG LEU A 23 4.096 2.023 7.103 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.420 0.616 5.169 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.079 0.802 6.324 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.091 1.745 4.815 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.076 2.457 4.865 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.752 3.591 4.506 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.918 3.964 5.798 1.00 0.00 H new ATOM 382 N LEU A 24 1.575 4.982 9.480 1.00 0.00 N ATOM 383 CA LEU A 24 0.586 5.812 10.166 1.00 0.00 C ATOM 384 C LEU A 24 1.197 7.145 10.602 1.00 0.00 C ATOM 385 O LEU A 24 0.691 8.213 10.255 1.00 0.00 O ATOM 386 CB LEU A 24 0.042 5.063 11.391 1.00 0.00 C ATOM 387 CG LEU A 24 -0.928 5.962 12.173 1.00 0.00 C ATOM 388 CD1 LEU A 24 -2.054 6.442 11.249 1.00 0.00 C ATOM 389 CD2 LEU A 24 -1.529 5.171 13.341 1.00 0.00 C ATOM 0 H LEU A 24 1.711 4.058 9.889 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.229 6.020 9.473 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.469 4.154 11.074 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.866 4.757 12.035 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.385 6.826 12.556 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.738 7.079 11.810 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.628 7.008 10.420 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.597 5.581 10.859 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.217 5.808 13.896 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.067 4.305 12.955 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.730 4.836 14.003 1.00 0.00 H new ATOM 401 N ARG A 25 2.273 7.069 11.378 1.00 0.00 N ATOM 402 CA ARG A 25 2.946 8.263 11.885 1.00 0.00 C ATOM 403 C ARG A 25 3.422 9.192 10.764 1.00 0.00 C ATOM 404 O ARG A 25 3.462 10.409 10.946 1.00 0.00 O ATOM 405 CB ARG A 25 4.144 7.853 12.743 1.00 0.00 C ATOM 406 CG ARG A 25 3.648 7.270 14.071 1.00 0.00 C ATOM 407 CD ARG A 25 4.833 7.077 15.021 1.00 0.00 C ATOM 408 NE ARG A 25 5.551 8.336 15.207 1.00 0.00 N ATOM 409 CZ ARG A 25 4.997 9.366 15.847 1.00 0.00 C ATOM 410 NH1 ARG A 25 3.858 9.217 16.467 1.00 0.00 N ATOM 411 NH2 ARG A 25 5.597 10.524 15.855 1.00 0.00 N ATOM 0 H ARG A 25 2.700 6.190 11.671 1.00 0.00 H new ATOM 0 HA ARG A 25 2.218 8.813 12.480 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.748 7.116 12.214 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.784 8.716 12.929 1.00 0.00 H new ATOM 0 HG2 ARG A 25 2.913 7.937 14.521 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.149 6.317 13.898 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.479 6.708 15.984 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.509 6.322 14.620 1.00 0.00 H new ATOM 0 HE ARG A 25 6.498 8.429 14.839 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.390 8.311 16.463 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.436 10.007 16.956 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.488 10.640 15.372 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.175 11.314 16.344 1.00 0.00 H new ATOM 425 N ASP A 26 3.807 8.624 9.620 1.00 0.00 N ATOM 426 CA ASP A 26 4.305 9.443 8.512 1.00 0.00 C ATOM 427 C ASP A 26 3.240 9.668 7.437 1.00 0.00 C ATOM 428 O ASP A 26 2.906 10.810 7.118 1.00 0.00 O ATOM 429 CB ASP A 26 5.534 8.770 7.889 1.00 0.00 C ATOM 430 CG ASP A 26 6.323 9.778 7.054 1.00 0.00 C ATOM 431 OD1 ASP A 26 6.691 10.809 7.595 1.00 0.00 O ATOM 432 OD2 ASP A 26 6.552 9.501 5.888 1.00 0.00 O ATOM 0 H ASP A 26 3.785 7.621 9.437 1.00 0.00 H new ATOM 0 HA ASP A 26 4.574 10.419 8.916 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.170 8.360 8.674 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.222 7.934 7.263 1.00 0.00 H new ATOM 437 N GLY A 27 2.717 8.580 6.876 1.00 0.00 N ATOM 438 CA GLY A 27 1.697 8.678 5.832 1.00 0.00 C ATOM 439 C GLY A 27 0.296 8.533 6.414 1.00 0.00 C ATOM 440 O GLY A 27 -0.435 9.514 6.555 1.00 0.00 O ATOM 0 H GLY A 27 2.980 7.626 7.124 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.785 9.638 5.323 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.864 7.904 5.083 1.00 0.00 H new ATOM 444 N GLY A 28 -0.069 7.300 6.751 1.00 0.00 N ATOM 445 CA GLY A 28 -1.383 7.021 7.319 1.00 0.00 C ATOM 446 C GLY A 28 -1.629 5.518 7.395 1.00 0.00 C ATOM 447 O GLY A 28 -0.692 4.735 7.565 1.00 0.00 O ATOM 0 H GLY A 28 0.526 6.479 6.641 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -1.454 7.457 8.315 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.155 7.491 6.710 1.00 0.00 H new ATOM 451 N ASP A 29 -2.892 5.119 7.262 1.00 0.00 N ATOM 452 CA ASP A 29 -3.248 3.704 7.312 1.00 0.00 C ATOM 453 C ASP A 29 -3.572 3.190 5.914 1.00 0.00 C ATOM 454 O ASP A 29 -4.321 3.818 5.169 1.00 0.00 O ATOM 455 CB ASP A 29 -4.456 3.492 8.236 1.00 0.00 C ATOM 456 CG ASP A 29 -4.025 3.481 9.705 1.00 0.00 C ATOM 457 OD1 ASP A 29 -2.887 3.130 9.976 1.00 0.00 O ATOM 458 OD2 ASP A 29 -4.846 3.822 10.541 1.00 0.00 O ATOM 0 H ASP A 29 -3.680 5.751 7.120 1.00 0.00 H new ATOM 0 HA ASP A 29 -2.397 3.148 7.706 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.187 4.284 8.073 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.946 2.550 7.990 1.00 0.00 H new ATOM 463 N CYS A 30 -2.992 2.045 5.569 1.00 0.00 N ATOM 464 CA CYS A 30 -3.212 1.442 4.258 1.00 0.00 C ATOM 465 C CYS A 30 -3.845 0.063 4.409 1.00 0.00 C ATOM 466 O CYS A 30 -3.679 -0.596 5.437 1.00 0.00 O ATOM 467 CB CYS A 30 -1.880 1.322 3.516 1.00 0.00 C ATOM 468 SG CYS A 30 -2.186 0.842 1.800 1.00 0.00 S ATOM 0 H CYS A 30 -2.367 1.516 6.177 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.889 2.078 3.687 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.346 2.272 3.549 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.245 0.582 4.004 1.00 0.00 H new ATOM 0 HG CYS A 30 -1.229 1.295 1.045 1.00 0.00 H new ATOM 474 N THR A 31 -4.575 -0.369 3.381 1.00 0.00 N ATOM 475 CA THR A 31 -5.233 -1.671 3.419 1.00 0.00 C ATOM 476 C THR A 31 -5.350 -2.263 2.017 1.00 0.00 C ATOM 477 O THR A 31 -5.919 -1.643 1.116 1.00 0.00 O ATOM 478 CB THR A 31 -6.629 -1.531 4.031 1.00 0.00 C ATOM 479 OG1 THR A 31 -6.517 -1.024 5.354 1.00 0.00 O ATOM 480 CG2 THR A 31 -7.318 -2.899 4.063 1.00 0.00 C ATOM 0 H THR A 31 -4.724 0.159 2.521 1.00 0.00 H new ATOM 0 HA THR A 31 -4.629 -2.341 4.031 1.00 0.00 H new ATOM 0 HB THR A 31 -7.221 -0.844 3.427 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.411 -0.933 5.746 1.00 0.00 H new ATOM 0 HG21 THR A 31 -8.312 -2.796 4.499 1.00 0.00 H new ATOM 0 HG22 THR A 31 -7.406 -3.286 3.048 1.00 0.00 H new ATOM 0 HG23 THR A 31 -6.727 -3.590 4.665 1.00 0.00 H new ATOM 488 N LEU A 32 -4.818 -3.470 1.848 1.00 0.00 N ATOM 489 CA LEU A 32 -4.875 -4.153 0.561 1.00 0.00 C ATOM 490 C LEU A 32 -6.285 -4.682 0.315 1.00 0.00 C ATOM 491 O LEU A 32 -6.812 -5.459 1.114 1.00 0.00 O ATOM 492 CB LEU A 32 -3.874 -5.313 0.542 1.00 0.00 C ATOM 493 CG LEU A 32 -3.987 -6.082 -0.781 1.00 0.00 C ATOM 494 CD1 LEU A 32 -2.589 -6.460 -1.271 1.00 0.00 C ATOM 495 CD2 LEU A 32 -4.811 -7.357 -0.567 1.00 0.00 C ATOM 0 H LEU A 32 -4.344 -3.993 2.584 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.617 -3.446 -0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.860 -4.932 0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.066 -5.984 1.380 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.478 -5.453 -1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.668 -7.006 -2.211 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.001 -5.555 -1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.100 -7.088 -0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.890 -7.901 -1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.321 -7.986 0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.808 -7.091 -0.217 1.00 0.00 H new ATOM 507 N VAL A 33 -6.892 -4.253 -0.786 1.00 0.00 N ATOM 508 CA VAL A 33 -8.245 -4.683 -1.123 1.00 0.00 C ATOM 509 C VAL A 33 -8.214 -5.964 -1.953 1.00 0.00 C ATOM 510 O VAL A 33 -9.147 -6.768 -1.900 1.00 0.00 O ATOM 511 CB VAL A 33 -8.970 -3.578 -1.901 1.00 0.00 C ATOM 512 CG1 VAL A 33 -10.463 -3.913 -1.999 1.00 0.00 C ATOM 513 CG2 VAL A 33 -8.796 -2.239 -1.173 1.00 0.00 C ATOM 0 H VAL A 33 -6.472 -3.611 -1.458 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.782 -4.882 -0.196 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.547 -3.506 -2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -10.977 -3.127 -2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -10.589 -4.863 -2.517 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.886 -3.987 -0.997 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.312 -1.454 -1.727 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.217 -2.313 -0.170 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.735 -1.997 -1.104 1.00 0.00 H new ATOM 523 N ASP A 34 -7.138 -6.150 -2.719 1.00 0.00 N ATOM 524 CA ASP A 34 -7.003 -7.340 -3.555 1.00 0.00 C ATOM 525 C ASP A 34 -5.555 -7.519 -4.004 1.00 0.00 C ATOM 526 O ASP A 34 -4.944 -6.597 -4.547 1.00 0.00 O ATOM 527 CB ASP A 34 -7.915 -7.221 -4.783 1.00 0.00 C ATOM 528 CG ASP A 34 -7.911 -8.518 -5.599 1.00 0.00 C ATOM 529 OD1 ASP A 34 -7.310 -9.486 -5.158 1.00 0.00 O ATOM 530 OD2 ASP A 34 -8.517 -8.525 -6.658 1.00 0.00 O ATOM 0 H ASP A 34 -6.356 -5.498 -2.777 1.00 0.00 H new ATOM 0 HA ASP A 34 -7.297 -8.211 -2.969 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.932 -6.991 -4.464 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.582 -6.393 -5.409 1.00 0.00 H new ATOM 535 N VAL A 35 -5.019 -8.719 -3.778 1.00 0.00 N ATOM 536 CA VAL A 35 -3.647 -9.025 -4.170 1.00 0.00 C ATOM 537 C VAL A 35 -3.628 -9.652 -5.564 1.00 0.00 C ATOM 538 O VAL A 35 -4.266 -10.679 -5.805 1.00 0.00 O ATOM 539 CB VAL A 35 -3.006 -9.978 -3.146 1.00 0.00 C ATOM 540 CG1 VAL A 35 -3.699 -11.343 -3.184 1.00 0.00 C ATOM 541 CG2 VAL A 35 -1.516 -10.153 -3.468 1.00 0.00 C ATOM 0 H VAL A 35 -5.513 -9.490 -3.328 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.070 -8.100 -4.195 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.119 -9.551 -2.150 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.235 -12.007 -2.455 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.755 -11.222 -2.944 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.600 -11.773 -4.181 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.064 -10.828 -2.742 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.407 -10.571 -4.469 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.018 -9.185 -3.422 1.00 0.00 H new ATOM 551 N GLU A 36 -2.898 -9.017 -6.478 1.00 0.00 N ATOM 552 CA GLU A 36 -2.800 -9.507 -7.848 1.00 0.00 C ATOM 553 C GLU A 36 -1.378 -9.338 -8.370 1.00 0.00 C ATOM 554 O GLU A 36 -0.573 -8.618 -7.777 1.00 0.00 O ATOM 555 CB GLU A 36 -3.772 -8.742 -8.749 1.00 0.00 C ATOM 556 CG GLU A 36 -5.198 -9.233 -8.490 1.00 0.00 C ATOM 557 CD GLU A 36 -6.158 -8.601 -9.492 1.00 0.00 C ATOM 558 OE1 GLU A 36 -6.056 -8.921 -10.665 1.00 0.00 O ATOM 559 OE2 GLU A 36 -6.979 -7.801 -9.073 1.00 0.00 O ATOM 0 H GLU A 36 -2.368 -8.165 -6.294 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.058 -10.566 -7.857 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.702 -7.672 -8.552 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.509 -8.891 -9.796 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.238 -10.319 -8.571 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.500 -8.978 -7.474 1.00 0.00 H new ATOM 566 N ASP A 37 -1.077 -10.008 -9.479 1.00 0.00 N ATOM 567 CA ASP A 37 0.253 -9.930 -10.075 1.00 0.00 C ATOM 568 C ASP A 37 0.718 -8.481 -10.178 1.00 0.00 C ATOM 569 O ASP A 37 1.786 -8.127 -9.678 1.00 0.00 O ATOM 570 CB ASP A 37 0.237 -10.566 -11.467 1.00 0.00 C ATOM 571 CG ASP A 37 0.044 -12.076 -11.348 1.00 0.00 C ATOM 572 OD1 ASP A 37 1.033 -12.771 -11.179 1.00 0.00 O ATOM 573 OD2 ASP A 37 -1.092 -12.517 -11.426 1.00 0.00 O ATOM 0 H ASP A 37 -1.732 -10.608 -9.981 1.00 0.00 H new ATOM 0 HA ASP A 37 0.948 -10.472 -9.434 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.566 -10.134 -12.064 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.171 -10.350 -11.985 1.00 0.00 H new ATOM 578 N GLY A 38 -0.090 -7.650 -10.827 1.00 0.00 N ATOM 579 CA GLY A 38 0.247 -6.237 -10.992 1.00 0.00 C ATOM 580 C GLY A 38 -0.952 -5.333 -10.715 1.00 0.00 C ATOM 581 O GLY A 38 -0.788 -4.152 -10.408 1.00 0.00 O ATOM 0 H GLY A 38 -0.978 -7.926 -11.246 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.062 -5.976 -10.317 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.606 -6.065 -12.007 1.00 0.00 H new ATOM 585 N ILE A 39 -2.157 -5.890 -10.827 1.00 0.00 N ATOM 586 CA ILE A 39 -3.377 -5.119 -10.590 1.00 0.00 C ATOM 587 C ILE A 39 -3.750 -5.157 -9.110 1.00 0.00 C ATOM 588 O ILE A 39 -4.829 -5.624 -8.741 1.00 0.00 O ATOM 589 CB ILE A 39 -4.527 -5.684 -11.436 1.00 0.00 C ATOM 590 CG1 ILE A 39 -4.021 -6.014 -12.849 1.00 0.00 C ATOM 591 CG2 ILE A 39 -5.651 -4.647 -11.530 1.00 0.00 C ATOM 592 CD1 ILE A 39 -3.740 -7.515 -12.962 1.00 0.00 C ATOM 0 H ILE A 39 -2.315 -6.866 -11.079 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.198 -4.083 -10.879 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.904 -6.592 -10.966 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.763 -5.717 -13.590 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.114 -5.448 -13.062 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.467 -5.048 -12.131 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.017 -4.415 -10.530 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.270 -3.739 -11.997 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.382 -7.744 -13.966 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.982 -7.799 -12.232 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.657 -8.072 -12.768 1.00 0.00 H new ATOM 604 N VAL A 40 -2.846 -4.670 -8.265 1.00 0.00 N ATOM 605 CA VAL A 40 -3.085 -4.665 -6.826 1.00 0.00 C ATOM 606 C VAL A 40 -3.908 -3.449 -6.403 1.00 0.00 C ATOM 607 O VAL A 40 -3.518 -2.302 -6.638 1.00 0.00 O ATOM 608 CB VAL A 40 -1.744 -4.687 -6.076 1.00 0.00 C ATOM 609 CG1 VAL A 40 -1.863 -3.937 -4.742 1.00 0.00 C ATOM 610 CG2 VAL A 40 -1.349 -6.139 -5.800 1.00 0.00 C ATOM 0 H VAL A 40 -1.949 -4.277 -8.549 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.656 -5.558 -6.572 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.987 -4.199 -6.690 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.904 -3.962 -4.224 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.146 -2.902 -4.931 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.623 -4.414 -4.123 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.398 -6.163 -5.268 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.117 -6.616 -5.191 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.250 -6.675 -6.744 1.00 0.00 H new ATOM 620 N LYS A 41 -5.041 -3.720 -5.761 1.00 0.00 N ATOM 621 CA LYS A 41 -5.917 -2.662 -5.275 1.00 0.00 C ATOM 622 C LYS A 41 -5.488 -2.241 -3.871 1.00 0.00 C ATOM 623 O LYS A 41 -5.062 -3.073 -3.069 1.00 0.00 O ATOM 624 CB LYS A 41 -7.369 -3.148 -5.258 1.00 0.00 C ATOM 625 CG LYS A 41 -7.834 -3.418 -6.693 1.00 0.00 C ATOM 626 CD LYS A 41 -9.356 -3.270 -6.779 1.00 0.00 C ATOM 627 CE LYS A 41 -9.817 -3.532 -8.216 1.00 0.00 C ATOM 628 NZ LYS A 41 -10.079 -4.988 -8.398 1.00 0.00 N ATOM 0 H LYS A 41 -5.373 -4.665 -5.566 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.843 -1.803 -5.942 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.453 -4.056 -4.660 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.009 -2.399 -4.792 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.352 -2.721 -7.379 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.539 -4.422 -6.998 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.839 -3.971 -6.098 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.652 -2.268 -6.468 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.720 -2.960 -8.429 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.055 -3.198 -8.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.392 -5.165 -9.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.207 -5.524 -8.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.821 -5.293 -7.736 1.00 0.00 H new ATOM 642 N LEU A 42 -5.595 -0.947 -3.583 1.00 0.00 N ATOM 643 CA LEU A 42 -5.208 -0.428 -2.273 1.00 0.00 C ATOM 644 C LEU A 42 -6.246 0.562 -1.758 1.00 0.00 C ATOM 645 O LEU A 42 -7.060 1.080 -2.524 1.00 0.00 O ATOM 646 CB LEU A 42 -3.846 0.272 -2.368 1.00 0.00 C ATOM 647 CG LEU A 42 -2.715 -0.756 -2.242 1.00 0.00 C ATOM 648 CD1 LEU A 42 -1.523 -0.309 -3.094 1.00 0.00 C ATOM 649 CD2 LEU A 42 -2.281 -0.866 -0.776 1.00 0.00 C ATOM 0 H LEU A 42 -5.944 -0.242 -4.233 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.143 -1.267 -1.580 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.765 0.799 -3.319 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.757 1.020 -1.580 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.068 -1.727 -2.589 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.718 -1.039 -3.005 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.830 -0.232 -4.137 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.171 0.663 -2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.477 -1.597 -0.688 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.928 0.105 -0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.128 -1.184 -0.169 1.00 0.00 H new ATOM 661 N GLN A 43 -6.200 0.822 -0.456 1.00 0.00 N ATOM 662 CA GLN A 43 -7.130 1.756 0.166 1.00 0.00 C ATOM 663 C GLN A 43 -6.451 2.469 1.329 1.00 0.00 C ATOM 664 O GLN A 43 -6.059 1.838 2.311 1.00 0.00 O ATOM 665 CB GLN A 43 -8.369 1.010 0.669 1.00 0.00 C ATOM 666 CG GLN A 43 -9.470 2.020 1.005 1.00 0.00 C ATOM 667 CD GLN A 43 -10.724 1.292 1.479 1.00 0.00 C ATOM 668 OE1 GLN A 43 -11.840 1.755 1.238 1.00 0.00 O ATOM 669 NE2 GLN A 43 -10.607 0.176 2.147 1.00 0.00 N ATOM 0 H GLN A 43 -5.530 0.400 0.187 1.00 0.00 H new ATOM 0 HA GLN A 43 -7.436 2.493 -0.576 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -8.720 0.312 -0.091 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -8.119 0.421 1.551 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -9.123 2.704 1.780 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -9.701 2.623 0.127 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -9.682 -0.205 2.345 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -11.441 -0.315 2.471 1.00 0.00 H new ATOM 678 N LEU A 44 -6.307 3.786 1.207 1.00 0.00 N ATOM 679 CA LEU A 44 -5.662 4.573 2.253 1.00 0.00 C ATOM 680 C LEU A 44 -6.656 4.937 3.350 1.00 0.00 C ATOM 681 O LEU A 44 -7.858 4.710 3.218 1.00 0.00 O ATOM 682 CB LEU A 44 -5.056 5.850 1.656 1.00 0.00 C ATOM 683 CG LEU A 44 -3.658 6.082 2.244 1.00 0.00 C ATOM 684 CD1 LEU A 44 -2.626 5.248 1.477 1.00 0.00 C ATOM 685 CD2 LEU A 44 -3.294 7.567 2.138 1.00 0.00 C ATOM 0 H LEU A 44 -6.625 4.326 0.402 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.868 3.969 2.692 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.995 5.763 0.571 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.698 6.704 1.871 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.658 5.781 3.292 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.635 5.417 1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.880 4.191 1.558 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.628 5.542 0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.301 7.729 2.556 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.300 7.869 1.091 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.022 8.160 2.691 1.00 0.00 H new ATOM 697 N HIS A 45 -6.130 5.499 4.437 1.00 0.00 N ATOM 698 CA HIS A 45 -6.954 5.891 5.574 1.00 0.00 C ATOM 699 C HIS A 45 -6.228 6.951 6.399 1.00 0.00 C ATOM 700 O HIS A 45 -5.563 6.637 7.389 1.00 0.00 O ATOM 701 CB HIS A 45 -7.244 4.667 6.454 1.00 0.00 C ATOM 702 CG HIS A 45 -8.574 4.067 6.085 1.00 0.00 C ATOM 703 ND1 HIS A 45 -9.763 4.515 6.636 1.00 0.00 N ATOM 704 CD2 HIS A 45 -8.915 3.042 5.236 1.00 0.00 C ATOM 705 CE1 HIS A 45 -10.756 3.765 6.120 1.00 0.00 C ATOM 706 NE2 HIS A 45 -10.293 2.854 5.260 1.00 0.00 N ATOM 0 H HIS A 45 -5.135 5.692 4.552 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.894 6.302 5.206 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -6.455 3.925 6.330 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -7.246 4.957 7.505 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -8.219 2.469 4.641 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -11.799 3.886 6.371 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -10.834 2.168 4.734 1.00 0.00 H new ATOM 714 N GLY A 46 -6.360 8.206 5.980 1.00 0.00 N ATOM 715 CA GLY A 46 -5.714 9.309 6.681 1.00 0.00 C ATOM 716 C GLY A 46 -6.658 9.930 7.706 1.00 0.00 C ATOM 717 O GLY A 46 -6.271 10.834 8.449 1.00 0.00 O ATOM 0 H GLY A 46 -6.905 8.483 5.164 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.814 8.950 7.180 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.400 10.067 5.963 1.00 0.00 H new ATOM 721 N ALA A 47 -7.897 9.436 7.740 1.00 0.00 N ATOM 722 CA ALA A 47 -8.900 9.943 8.676 1.00 0.00 C ATOM 723 C ALA A 47 -9.044 11.460 8.549 1.00 0.00 C ATOM 724 O ALA A 47 -9.473 12.134 9.486 1.00 0.00 O ATOM 725 CB ALA A 47 -8.512 9.578 10.113 1.00 0.00 C ATOM 0 H ALA A 47 -8.229 8.687 7.132 1.00 0.00 H new ATOM 0 HA ALA A 47 -9.857 9.482 8.433 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -9.266 9.960 10.802 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.449 8.494 10.209 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.545 10.020 10.352 1.00 0.00 H new ATOM 731 N CYS A 48 -8.680 11.989 7.382 1.00 0.00 N ATOM 732 CA CYS A 48 -8.771 13.425 7.136 1.00 0.00 C ATOM 733 C CYS A 48 -9.277 13.700 5.724 1.00 0.00 C ATOM 734 O CYS A 48 -8.809 14.624 5.056 1.00 0.00 O ATOM 735 CB CYS A 48 -7.398 14.076 7.325 1.00 0.00 C ATOM 736 SG CYS A 48 -7.605 15.857 7.568 1.00 0.00 S ATOM 0 H CYS A 48 -8.321 11.447 6.596 1.00 0.00 H new ATOM 0 HA CYS A 48 -9.477 13.851 7.849 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -6.891 13.637 8.184 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -6.771 13.887 6.454 1.00 0.00 H new ATOM 0 HG CYS A 48 -8.327 16.345 6.604 1.00 0.00 H new ATOM 742 N GLY A 49 -10.238 12.893 5.279 1.00 0.00 N ATOM 743 CA GLY A 49 -10.811 13.060 3.945 1.00 0.00 C ATOM 744 C GLY A 49 -11.565 14.382 3.849 1.00 0.00 C ATOM 745 O GLY A 49 -12.797 14.407 3.854 1.00 0.00 O ATOM 0 H GLY A 49 -10.634 12.123 5.818 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.019 13.031 3.196 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.486 12.233 3.727 1.00 0.00 H new ATOM 749 N THR A 50 -10.811 15.476 3.776 1.00 0.00 N ATOM 750 CA THR A 50 -11.396 16.808 3.692 1.00 0.00 C ATOM 751 C THR A 50 -10.640 17.651 2.669 1.00 0.00 C ATOM 752 O THR A 50 -11.231 18.196 1.736 1.00 0.00 O ATOM 753 CB THR A 50 -11.336 17.489 5.067 1.00 0.00 C ATOM 754 OG1 THR A 50 -9.995 17.872 5.349 1.00 0.00 O ATOM 755 CG2 THR A 50 -11.823 16.523 6.151 1.00 0.00 C ATOM 0 H THR A 50 -9.791 15.464 3.773 1.00 0.00 H new ATOM 0 HA THR A 50 -12.436 16.717 3.378 1.00 0.00 H new ATOM 0 HB THR A 50 -11.977 18.371 5.055 1.00 0.00 H new ATOM 0 HG1 THR A 50 -9.957 18.308 6.226 1.00 0.00 H new ATOM 0 HG21 THR A 50 -11.777 17.014 7.123 1.00 0.00 H new ATOM 0 HG22 THR A 50 -12.851 16.229 5.941 1.00 0.00 H new ATOM 0 HG23 THR A 50 -11.187 15.638 6.161 1.00 0.00 H new ATOM 763 N CYS A 51 -9.327 17.750 2.858 1.00 0.00 N ATOM 764 CA CYS A 51 -8.484 18.527 1.959 1.00 0.00 C ATOM 765 C CYS A 51 -7.037 18.030 2.023 1.00 0.00 C ATOM 766 O CYS A 51 -6.102 18.825 2.146 1.00 0.00 O ATOM 767 CB CYS A 51 -8.551 20.006 2.353 1.00 0.00 C ATOM 768 SG CYS A 51 -7.684 20.254 3.924 1.00 0.00 S ATOM 0 H CYS A 51 -8.826 17.302 3.625 1.00 0.00 H new ATOM 0 HA CYS A 51 -8.844 18.407 0.937 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -8.099 20.621 1.575 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -9.590 20.322 2.445 1.00 0.00 H new ATOM 0 HG CYS A 51 -6.509 19.701 3.863 1.00 0.00 H new ATOM 774 N PRO A 52 -6.844 16.736 1.947 1.00 0.00 N ATOM 775 CA PRO A 52 -5.493 16.108 2.003 1.00 0.00 C ATOM 776 C PRO A 52 -4.488 16.819 1.099 1.00 0.00 C ATOM 777 O PRO A 52 -4.522 16.672 -0.124 1.00 0.00 O ATOM 778 CB PRO A 52 -5.713 14.663 1.532 1.00 0.00 C ATOM 779 CG PRO A 52 -7.171 14.520 1.213 1.00 0.00 C ATOM 780 CD PRO A 52 -7.897 15.727 1.802 1.00 0.00 C ATOM 0 HA PRO A 52 -5.073 16.166 3.007 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -5.104 14.447 0.654 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -5.417 13.956 2.307 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -7.323 14.471 0.135 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -7.565 13.595 1.633 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -8.694 16.073 1.145 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -8.356 15.488 2.761 1.00 0.00 H new ATOM 788 N SER A 53 -3.597 17.587 1.717 1.00 0.00 N ATOM 789 CA SER A 53 -2.577 18.318 0.975 1.00 0.00 C ATOM 790 C SER A 53 -1.264 17.538 0.976 1.00 0.00 C ATOM 791 O SER A 53 -0.459 17.655 0.051 1.00 0.00 O ATOM 792 CB SER A 53 -2.363 19.694 1.607 1.00 0.00 C ATOM 793 OG SER A 53 -1.681 20.537 0.688 1.00 0.00 O ATOM 0 H SER A 53 -3.561 17.719 2.728 1.00 0.00 H new ATOM 0 HA SER A 53 -2.912 18.443 -0.055 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.322 20.135 1.878 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.785 19.598 2.526 1.00 0.00 H new ATOM 0 HG SER A 53 -1.545 21.419 1.092 1.00 0.00 H new ATOM 799 N SER A 54 -1.058 16.745 2.029 1.00 0.00 N ATOM 800 CA SER A 54 0.158 15.947 2.161 1.00 0.00 C ATOM 801 C SER A 54 -0.016 14.574 1.515 1.00 0.00 C ATOM 802 O SER A 54 0.940 14.005 0.986 1.00 0.00 O ATOM 803 CB SER A 54 0.502 15.770 3.642 1.00 0.00 C ATOM 804 OG SER A 54 1.905 15.590 3.782 1.00 0.00 O ATOM 0 H SER A 54 -1.717 16.640 2.800 1.00 0.00 H new ATOM 0 HA SER A 54 0.967 16.472 1.652 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.178 16.643 4.209 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.029 14.910 4.050 1.00 0.00 H new ATOM 0 HG SER A 54 2.127 15.478 4.730 1.00 0.00 H new ATOM 810 N THR A 55 -1.239 14.047 1.563 1.00 0.00 N ATOM 811 CA THR A 55 -1.522 12.737 0.980 1.00 0.00 C ATOM 812 C THR A 55 -1.217 12.738 -0.514 1.00 0.00 C ATOM 813 O THR A 55 -0.851 11.709 -1.081 1.00 0.00 O ATOM 814 CB THR A 55 -2.992 12.370 1.205 1.00 0.00 C ATOM 815 OG1 THR A 55 -3.359 12.692 2.538 1.00 0.00 O ATOM 816 CG2 THR A 55 -3.198 10.870 0.969 1.00 0.00 C ATOM 0 H THR A 55 -2.043 14.502 1.995 1.00 0.00 H new ATOM 0 HA THR A 55 -0.886 11.998 1.468 1.00 0.00 H new ATOM 0 HB THR A 55 -3.613 12.931 0.506 1.00 0.00 H new ATOM 0 HG1 THR A 55 -4.162 12.189 2.787 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.246 10.617 1.131 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.918 10.621 -0.055 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.576 10.304 1.663 1.00 0.00 H new ATOM 824 N ILE A 56 -1.370 13.899 -1.145 1.00 0.00 N ATOM 825 CA ILE A 56 -1.109 14.025 -2.577 1.00 0.00 C ATOM 826 C ILE A 56 0.326 13.612 -2.903 1.00 0.00 C ATOM 827 O ILE A 56 0.553 12.710 -3.710 1.00 0.00 O ATOM 828 CB ILE A 56 -1.338 15.471 -3.029 1.00 0.00 C ATOM 829 CG1 ILE A 56 -2.742 15.924 -2.606 1.00 0.00 C ATOM 830 CG2 ILE A 56 -1.207 15.559 -4.553 1.00 0.00 C ATOM 831 CD1 ILE A 56 -2.915 17.414 -2.910 1.00 0.00 C ATOM 0 H ILE A 56 -1.671 14.761 -0.691 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.795 13.365 -3.107 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.594 16.118 -2.565 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.497 15.344 -3.137 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.889 15.740 -1.542 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.370 16.588 -4.873 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.208 15.240 -4.851 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.949 14.912 -5.020 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.913 17.733 -2.609 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.169 17.987 -2.359 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.787 17.585 -3.979 1.00 0.00 H new ATOM 843 N THR A 57 1.286 14.282 -2.267 1.00 0.00 N ATOM 844 CA THR A 57 2.698 13.986 -2.494 1.00 0.00 C ATOM 845 C THR A 57 3.022 12.558 -2.064 1.00 0.00 C ATOM 846 O THR A 57 3.696 11.822 -2.785 1.00 0.00 O ATOM 847 CB THR A 57 3.570 14.972 -1.707 1.00 0.00 C ATOM 848 OG1 THR A 57 3.132 16.297 -1.967 1.00 0.00 O ATOM 849 CG2 THR A 57 5.035 14.824 -2.131 1.00 0.00 C ATOM 0 H THR A 57 1.113 15.029 -1.594 1.00 0.00 H new ATOM 0 HA THR A 57 2.906 14.087 -3.559 1.00 0.00 H new ATOM 0 HB THR A 57 3.484 14.760 -0.641 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.686 16.929 -1.464 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.649 15.527 -1.568 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.371 13.807 -1.930 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.128 15.033 -3.197 1.00 0.00 H new ATOM 857 N LEU A 58 2.537 12.174 -0.886 1.00 0.00 N ATOM 858 CA LEU A 58 2.778 10.829 -0.371 1.00 0.00 C ATOM 859 C LEU A 58 2.249 9.785 -1.348 1.00 0.00 C ATOM 860 O LEU A 58 2.998 8.928 -1.814 1.00 0.00 O ATOM 861 CB LEU A 58 2.094 10.655 0.993 1.00 0.00 C ATOM 862 CG LEU A 58 3.116 10.826 2.124 1.00 0.00 C ATOM 863 CD1 LEU A 58 4.162 9.709 2.055 1.00 0.00 C ATOM 864 CD2 LEU A 58 3.809 12.187 1.990 1.00 0.00 C ATOM 0 H LEU A 58 1.979 12.770 -0.274 1.00 0.00 H new ATOM 0 HA LEU A 58 3.853 10.691 -0.253 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.294 11.387 1.103 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.635 9.668 1.054 1.00 0.00 H new ATOM 0 HG LEU A 58 2.600 10.774 3.083 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.884 9.837 2.861 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.669 8.742 2.159 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.677 9.752 1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.535 12.307 2.794 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.320 12.242 1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.065 12.982 2.051 1.00 0.00 H new ATOM 876 N LYS A 59 0.953 9.872 -1.651 1.00 0.00 N ATOM 877 CA LYS A 59 0.314 8.936 -2.576 1.00 0.00 C ATOM 878 C LYS A 59 1.162 8.746 -3.830 1.00 0.00 C ATOM 879 O LYS A 59 1.544 7.623 -4.167 1.00 0.00 O ATOM 880 CB LYS A 59 -1.072 9.460 -2.964 1.00 0.00 C ATOM 881 CG LYS A 59 -1.846 8.376 -3.720 1.00 0.00 C ATOM 882 CD LYS A 59 -3.257 8.879 -4.041 1.00 0.00 C ATOM 883 CE LYS A 59 -3.303 9.414 -5.475 1.00 0.00 C ATOM 884 NZ LYS A 59 -2.285 10.490 -5.642 1.00 0.00 N ATOM 0 H LYS A 59 0.326 10.580 -1.270 1.00 0.00 H new ATOM 0 HA LYS A 59 0.215 7.972 -2.078 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.622 9.756 -2.070 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.973 10.349 -3.586 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.323 8.117 -4.641 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.901 7.468 -3.119 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.977 8.070 -3.922 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.541 9.664 -3.341 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.112 8.606 -6.181 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.297 9.803 -5.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.451 10.988 -6.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.359 11.164 -4.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.334 10.070 -5.650 1.00 0.00 H new ATOM 898 N ALA A 60 1.454 9.849 -4.515 1.00 0.00 N ATOM 899 CA ALA A 60 2.261 9.797 -5.730 1.00 0.00 C ATOM 900 C ALA A 60 3.643 9.227 -5.429 1.00 0.00 C ATOM 901 O ALA A 60 4.281 8.632 -6.297 1.00 0.00 O ATOM 902 CB ALA A 60 2.406 11.200 -6.322 1.00 0.00 C ATOM 0 H ALA A 60 1.146 10.785 -4.251 1.00 0.00 H new ATOM 0 HA ALA A 60 1.760 9.149 -6.449 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.010 11.152 -7.228 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.420 11.597 -6.563 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.892 11.853 -5.597 1.00 0.00 H new ATOM 908 N GLY A 61 4.092 9.405 -4.187 1.00 0.00 N ATOM 909 CA GLY A 61 5.394 8.902 -3.772 1.00 0.00 C ATOM 910 C GLY A 61 5.386 7.381 -3.729 1.00 0.00 C ATOM 911 O GLY A 61 6.285 6.730 -4.261 1.00 0.00 O ATOM 0 H GLY A 61 3.573 9.892 -3.456 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.162 9.249 -4.463 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.648 9.299 -2.789 1.00 0.00 H new ATOM 915 N ILE A 62 4.357 6.821 -3.096 1.00 0.00 N ATOM 916 CA ILE A 62 4.231 5.372 -2.990 1.00 0.00 C ATOM 917 C ILE A 62 4.067 4.754 -4.378 1.00 0.00 C ATOM 918 O ILE A 62 4.811 3.848 -4.751 1.00 0.00 O ATOM 919 CB ILE A 62 3.028 4.992 -2.109 1.00 0.00 C ATOM 920 CG1 ILE A 62 2.658 6.173 -1.195 1.00 0.00 C ATOM 921 CG2 ILE A 62 3.387 3.772 -1.255 1.00 0.00 C ATOM 922 CD1 ILE A 62 1.769 5.695 -0.043 1.00 0.00 C ATOM 0 H ILE A 62 3.604 7.346 -2.652 1.00 0.00 H new ATOM 0 HA ILE A 62 5.139 4.985 -2.528 1.00 0.00 H new ATOM 0 HB ILE A 62 2.176 4.752 -2.745 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.563 6.632 -0.798 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.138 6.939 -1.771 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.536 3.502 -0.630 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.640 2.935 -1.905 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.241 4.010 -0.621 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.515 6.541 0.596 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.856 5.257 -0.446 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.303 4.946 0.542 1.00 0.00 H new ATOM 934 N GLU A 63 3.089 5.253 -5.140 1.00 0.00 N ATOM 935 CA GLU A 63 2.837 4.745 -6.489 1.00 0.00 C ATOM 936 C GLU A 63 4.148 4.556 -7.249 1.00 0.00 C ATOM 937 O GLU A 63 4.479 3.446 -7.668 1.00 0.00 O ATOM 938 CB GLU A 63 1.929 5.714 -7.258 1.00 0.00 C ATOM 939 CG GLU A 63 1.549 5.097 -8.612 1.00 0.00 C ATOM 940 CD GLU A 63 0.271 5.740 -9.154 1.00 0.00 C ATOM 941 OE1 GLU A 63 0.094 6.933 -8.957 1.00 0.00 O ATOM 942 OE2 GLU A 63 -0.513 5.028 -9.761 1.00 0.00 O ATOM 0 H GLU A 63 2.463 6.003 -4.847 1.00 0.00 H new ATOM 0 HA GLU A 63 2.341 3.778 -6.402 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.031 5.925 -6.678 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.440 6.664 -7.410 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.363 5.237 -9.323 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.404 4.022 -8.501 1.00 0.00 H new ATOM 949 N ARG A 64 4.891 5.648 -7.416 1.00 0.00 N ATOM 950 CA ARG A 64 6.170 5.599 -8.119 1.00 0.00 C ATOM 951 C ARG A 64 7.101 4.586 -7.455 1.00 0.00 C ATOM 952 O ARG A 64 7.843 3.872 -8.131 1.00 0.00 O ATOM 953 CB ARG A 64 6.823 6.985 -8.113 1.00 0.00 C ATOM 954 CG ARG A 64 6.468 7.739 -9.404 1.00 0.00 C ATOM 955 CD ARG A 64 4.945 7.878 -9.532 1.00 0.00 C ATOM 956 NE ARG A 64 4.601 8.726 -10.672 1.00 0.00 N ATOM 957 CZ ARG A 64 5.236 8.611 -11.836 1.00 0.00 C ATOM 958 NH1 ARG A 64 4.814 7.756 -12.728 1.00 0.00 N ATOM 959 NH2 ARG A 64 6.281 9.354 -12.086 1.00 0.00 N ATOM 0 H ARG A 64 4.631 6.574 -7.076 1.00 0.00 H new ATOM 0 HA ARG A 64 5.991 5.291 -9.149 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.484 7.552 -7.246 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.905 6.886 -8.026 1.00 0.00 H new ATOM 0 HG2 ARG A 64 6.932 8.725 -9.397 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.866 7.205 -10.267 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.493 6.894 -9.654 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.535 8.305 -8.617 1.00 0.00 H new ATOM 0 HE ARG A 64 3.860 9.420 -10.573 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.998 7.176 -12.533 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.301 7.668 -13.620 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.610 10.022 -11.389 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.768 9.266 -12.978 1.00 0.00 H new ATOM 973 N ALA A 65 7.050 4.532 -6.124 1.00 0.00 N ATOM 974 CA ALA A 65 7.882 3.603 -5.366 1.00 0.00 C ATOM 975 C ALA A 65 7.592 2.164 -5.780 1.00 0.00 C ATOM 976 O ALA A 65 8.508 1.396 -6.075 1.00 0.00 O ATOM 977 CB ALA A 65 7.619 3.769 -3.866 1.00 0.00 C ATOM 0 H ALA A 65 6.443 5.119 -5.552 1.00 0.00 H new ATOM 0 HA ALA A 65 8.928 3.826 -5.577 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.244 3.072 -3.308 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.856 4.790 -3.566 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.569 3.564 -3.656 1.00 0.00 H new ATOM 983 N LEU A 66 6.308 1.810 -5.798 1.00 0.00 N ATOM 984 CA LEU A 66 5.891 0.463 -6.176 1.00 0.00 C ATOM 985 C LEU A 66 6.411 0.113 -7.570 1.00 0.00 C ATOM 986 O LEU A 66 7.005 -0.945 -7.772 1.00 0.00 O ATOM 987 CB LEU A 66 4.361 0.368 -6.164 1.00 0.00 C ATOM 988 CG LEU A 66 3.870 -0.058 -4.773 1.00 0.00 C ATOM 989 CD1 LEU A 66 4.121 1.068 -3.764 1.00 0.00 C ATOM 990 CD2 LEU A 66 2.368 -0.355 -4.837 1.00 0.00 C ATOM 0 H LEU A 66 5.541 2.437 -5.556 1.00 0.00 H new ATOM 0 HA LEU A 66 6.306 -0.242 -5.456 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.927 1.331 -6.432 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.028 -0.351 -6.912 1.00 0.00 H new ATOM 0 HG LEU A 66 4.411 -0.950 -4.458 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.770 0.759 -2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.188 1.284 -3.718 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.583 1.963 -4.076 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.015 -0.658 -3.851 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.833 0.540 -5.155 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.186 -1.159 -5.550 1.00 0.00 H new ATOM 1002 N HIS A 67 6.174 1.011 -8.523 1.00 0.00 N ATOM 1003 CA HIS A 67 6.610 0.799 -9.901 1.00 0.00 C ATOM 1004 C HIS A 67 8.108 0.516 -9.965 1.00 0.00 C ATOM 1005 O HIS A 67 8.530 -0.481 -10.550 1.00 0.00 O ATOM 1006 CB HIS A 67 6.285 2.033 -10.750 1.00 0.00 C ATOM 1007 CG HIS A 67 4.793 2.178 -10.886 1.00 0.00 C ATOM 1008 ND1 HIS A 67 4.211 2.836 -11.957 1.00 0.00 N ATOM 1009 CD2 HIS A 67 3.750 1.760 -10.094 1.00 0.00 C ATOM 1010 CE1 HIS A 67 2.877 2.795 -11.785 1.00 0.00 C ATOM 1011 NE2 HIS A 67 2.543 2.151 -10.663 1.00 0.00 N ATOM 0 H HIS A 67 5.683 1.891 -8.367 1.00 0.00 H new ATOM 0 HA HIS A 67 6.077 -0.066 -10.294 1.00 0.00 H new ATOM 0 HB2 HIS A 67 6.706 2.926 -10.287 1.00 0.00 H new ATOM 0 HB3 HIS A 67 6.742 1.939 -11.735 1.00 0.00 H new ATOM 0 HD1 HIS A 67 4.705 3.273 -12.736 1.00 0.00 H new ATOM 0 HD2 HIS A 67 3.853 1.211 -9.170 1.00 0.00 H new ATOM 0 HE1 HIS A 67 2.164 3.229 -12.470 1.00 0.00 H new ATOM 1019 N GLU A 68 8.905 1.398 -9.364 1.00 0.00 N ATOM 1020 CA GLU A 68 10.355 1.227 -9.364 1.00 0.00 C ATOM 1021 C GLU A 68 10.749 -0.011 -8.563 1.00 0.00 C ATOM 1022 O GLU A 68 11.806 -0.600 -8.793 1.00 0.00 O ATOM 1023 CB GLU A 68 11.029 2.469 -8.769 1.00 0.00 C ATOM 1024 CG GLU A 68 12.519 2.190 -8.531 1.00 0.00 C ATOM 1025 CD GLU A 68 13.247 3.478 -8.153 1.00 0.00 C ATOM 1026 OE1 GLU A 68 12.761 4.177 -7.278 1.00 0.00 O ATOM 1027 OE2 GLU A 68 14.282 3.746 -8.742 1.00 0.00 O ATOM 0 H GLU A 68 8.575 2.230 -8.876 1.00 0.00 H new ATOM 0 HA GLU A 68 10.688 1.096 -10.394 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.912 3.316 -9.445 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.546 2.741 -7.830 1.00 0.00 H new ATOM 0 HG2 GLU A 68 12.635 1.452 -7.737 1.00 0.00 H new ATOM 0 HG3 GLU A 68 12.964 1.763 -9.430 1.00 0.00 H new ATOM 1034 N GLU A 69 9.895 -0.399 -7.622 1.00 0.00 N ATOM 1035 CA GLU A 69 10.165 -1.566 -6.790 1.00 0.00 C ATOM 1036 C GLU A 69 9.728 -2.847 -7.494 1.00 0.00 C ATOM 1037 O GLU A 69 10.044 -3.947 -7.040 1.00 0.00 O ATOM 1038 CB GLU A 69 9.434 -1.440 -5.451 1.00 0.00 C ATOM 1039 CG GLU A 69 10.199 -0.473 -4.537 1.00 0.00 C ATOM 1040 CD GLU A 69 11.367 -1.182 -3.845 1.00 0.00 C ATOM 1041 OE1 GLU A 69 11.779 -2.229 -4.322 1.00 0.00 O ATOM 1042 OE2 GLU A 69 11.836 -0.663 -2.846 1.00 0.00 O ATOM 0 H GLU A 69 9.015 0.074 -7.417 1.00 0.00 H new ATOM 0 HA GLU A 69 11.239 -1.614 -6.612 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.419 -1.078 -5.612 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.352 -2.418 -4.976 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.574 0.367 -5.122 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.522 -0.063 -3.788 1.00 0.00 H new ATOM 1049 N VAL A 70 9.001 -2.702 -8.601 1.00 0.00 N ATOM 1050 CA VAL A 70 8.532 -3.863 -9.348 1.00 0.00 C ATOM 1051 C VAL A 70 8.259 -3.499 -10.815 1.00 0.00 C ATOM 1052 O VAL A 70 7.159 -3.713 -11.326 1.00 0.00 O ATOM 1053 CB VAL A 70 7.269 -4.431 -8.674 1.00 0.00 C ATOM 1054 CG1 VAL A 70 6.062 -3.523 -8.941 1.00 0.00 C ATOM 1055 CG2 VAL A 70 6.984 -5.839 -9.214 1.00 0.00 C ATOM 0 H VAL A 70 8.728 -1.802 -8.995 1.00 0.00 H new ATOM 0 HA VAL A 70 9.309 -4.627 -9.342 1.00 0.00 H new ATOM 0 HB VAL A 70 7.439 -4.479 -7.598 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.179 -3.940 -8.457 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.259 -2.528 -8.541 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.889 -3.454 -10.015 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.090 -6.238 -8.735 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.828 -5.791 -10.292 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.832 -6.490 -8.999 1.00 0.00 H new ATOM 1065 N PRO A 71 9.245 -2.958 -11.495 1.00 0.00 N ATOM 1066 CA PRO A 71 9.123 -2.559 -12.928 1.00 0.00 C ATOM 1067 C PRO A 71 8.428 -3.632 -13.761 1.00 0.00 C ATOM 1068 O PRO A 71 8.849 -4.789 -13.778 1.00 0.00 O ATOM 1069 CB PRO A 71 10.573 -2.357 -13.399 1.00 0.00 C ATOM 1070 CG PRO A 71 11.460 -2.653 -12.226 1.00 0.00 C ATOM 1071 CD PRO A 71 10.582 -2.664 -10.976 1.00 0.00 C ATOM 0 HA PRO A 71 8.515 -1.662 -13.043 1.00 0.00 H new ATOM 0 HB2 PRO A 71 10.803 -3.019 -14.234 1.00 0.00 H new ATOM 0 HB3 PRO A 71 10.726 -1.337 -13.750 1.00 0.00 H new ATOM 0 HG2 PRO A 71 11.956 -3.615 -12.354 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.243 -1.900 -12.138 1.00 0.00 H new ATOM 0 HD2 PRO A 71 10.910 -3.420 -10.263 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.609 -1.705 -10.459 1.00 0.00 H new ATOM 1079 N GLY A 72 7.357 -3.236 -14.443 1.00 0.00 N ATOM 1080 CA GLY A 72 6.593 -4.163 -15.271 1.00 0.00 C ATOM 1081 C GLY A 72 5.133 -4.197 -14.830 1.00 0.00 C ATOM 1082 O GLY A 72 4.391 -5.117 -15.176 1.00 0.00 O ATOM 0 H GLY A 72 6.999 -2.281 -14.438 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.656 -3.862 -16.317 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.023 -5.162 -15.200 1.00 0.00 H new ATOM 1086 N VAL A 73 4.733 -3.186 -14.059 1.00 0.00 N ATOM 1087 CA VAL A 73 3.365 -3.097 -13.562 1.00 0.00 C ATOM 1088 C VAL A 73 2.378 -2.907 -14.700 1.00 0.00 C ATOM 1089 O VAL A 73 2.727 -2.417 -15.776 1.00 0.00 O ATOM 1090 CB VAL A 73 3.244 -1.935 -12.568 1.00 0.00 C ATOM 1091 CG1 VAL A 73 4.040 -2.258 -11.302 1.00 0.00 C ATOM 1092 CG2 VAL A 73 3.795 -0.651 -13.200 1.00 0.00 C ATOM 0 H VAL A 73 5.338 -2.419 -13.767 1.00 0.00 H new ATOM 0 HA VAL A 73 3.127 -4.034 -13.058 1.00 0.00 H new ATOM 0 HB VAL A 73 2.194 -1.791 -12.313 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.953 -1.431 -10.597 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.646 -3.167 -10.847 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.089 -2.406 -11.560 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.707 0.171 -12.490 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.844 -0.795 -13.460 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.227 -0.416 -14.100 1.00 0.00 H new ATOM 1102 N ILE A 74 1.140 -3.313 -14.445 1.00 0.00 N ATOM 1103 CA ILE A 74 0.084 -3.209 -15.436 1.00 0.00 C ATOM 1104 C ILE A 74 -0.825 -2.024 -15.118 1.00 0.00 C ATOM 1105 O ILE A 74 -0.945 -1.092 -15.914 1.00 0.00 O ATOM 1106 CB ILE A 74 -0.740 -4.503 -15.467 1.00 0.00 C ATOM 1107 CG1 ILE A 74 0.121 -5.701 -15.032 1.00 0.00 C ATOM 1108 CG2 ILE A 74 -1.249 -4.737 -16.886 1.00 0.00 C ATOM 1109 CD1 ILE A 74 1.265 -5.923 -16.031 1.00 0.00 C ATOM 0 H ILE A 74 0.845 -3.718 -13.556 1.00 0.00 H new ATOM 0 HA ILE A 74 0.539 -3.053 -16.414 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.579 -4.405 -14.778 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.527 -5.523 -14.036 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -0.496 -6.598 -14.969 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.836 -5.655 -16.915 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.874 -3.898 -17.192 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.402 -4.826 -17.566 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.867 -6.774 -15.712 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.851 -6.122 -17.020 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.890 -5.031 -16.072 1.00 0.00 H new ATOM 1121 N GLU A 75 -1.459 -2.065 -13.947 1.00 0.00 N ATOM 1122 CA GLU A 75 -2.351 -0.988 -13.531 1.00 0.00 C ATOM 1123 C GLU A 75 -2.665 -1.096 -12.040 1.00 0.00 C ATOM 1124 O GLU A 75 -3.469 -1.932 -11.626 1.00 0.00 O ATOM 1125 CB GLU A 75 -3.655 -1.048 -14.338 1.00 0.00 C ATOM 1126 CG GLU A 75 -4.344 0.325 -14.321 1.00 0.00 C ATOM 1127 CD GLU A 75 -5.785 0.210 -14.825 1.00 0.00 C ATOM 1128 OE1 GLU A 75 -6.066 -0.713 -15.573 1.00 0.00 O ATOM 1129 OE2 GLU A 75 -6.589 1.052 -14.455 1.00 0.00 O ATOM 0 H GLU A 75 -1.372 -2.827 -13.275 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.853 -0.036 -13.716 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.444 -1.346 -15.365 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.319 -1.803 -13.917 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.338 0.729 -13.308 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.789 1.024 -14.946 1.00 0.00 H new ATOM 1136 N VAL A 76 -2.038 -0.233 -11.243 1.00 0.00 N ATOM 1137 CA VAL A 76 -2.273 -0.230 -9.802 1.00 0.00 C ATOM 1138 C VAL A 76 -3.460 0.672 -9.482 1.00 0.00 C ATOM 1139 O VAL A 76 -3.848 1.509 -10.298 1.00 0.00 O ATOM 1140 CB VAL A 76 -1.020 0.255 -9.058 1.00 0.00 C ATOM 1141 CG1 VAL A 76 -0.657 1.672 -9.513 1.00 0.00 C ATOM 1142 CG2 VAL A 76 -1.283 0.257 -7.546 1.00 0.00 C ATOM 0 H VAL A 76 -1.370 0.466 -11.567 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.495 -1.245 -9.474 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.193 -0.418 -9.283 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.233 2.008 -8.981 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.459 1.671 -10.585 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.486 2.347 -9.298 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.391 0.602 -7.022 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.116 0.924 -7.322 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.529 -0.753 -7.218 1.00 0.00 H new ATOM 1152 N GLU A 77 -4.040 0.495 -8.299 1.00 0.00 N ATOM 1153 CA GLU A 77 -5.188 1.301 -7.902 1.00 0.00 C ATOM 1154 C GLU A 77 -5.163 1.580 -6.405 1.00 0.00 C ATOM 1155 O GLU A 77 -5.123 0.658 -5.592 1.00 0.00 O ATOM 1156 CB GLU A 77 -6.491 0.575 -8.261 1.00 0.00 C ATOM 1157 CG GLU A 77 -6.377 -0.057 -9.656 1.00 0.00 C ATOM 1158 CD GLU A 77 -7.697 -0.720 -10.056 1.00 0.00 C ATOM 1159 OE1 GLU A 77 -8.595 -0.774 -9.229 1.00 0.00 O ATOM 1160 OE2 GLU A 77 -7.790 -1.165 -11.188 1.00 0.00 O ATOM 0 H GLU A 77 -3.738 -0.191 -7.607 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.137 2.249 -8.438 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.703 -0.196 -7.520 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.325 1.276 -8.238 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.111 0.707 -10.387 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.576 -0.796 -9.662 1.00 0.00 H new ATOM 1167 N GLN A 78 -5.199 2.863 -6.054 1.00 0.00 N ATOM 1168 CA GLN A 78 -5.195 3.275 -4.655 1.00 0.00 C ATOM 1169 C GLN A 78 -6.360 4.224 -4.394 1.00 0.00 C ATOM 1170 O GLN A 78 -6.223 5.443 -4.509 1.00 0.00 O ATOM 1171 CB GLN A 78 -3.870 3.963 -4.304 1.00 0.00 C ATOM 1172 CG GLN A 78 -3.583 3.783 -2.808 1.00 0.00 C ATOM 1173 CD GLN A 78 -2.768 4.961 -2.284 1.00 0.00 C ATOM 1174 OE1 GLN A 78 -1.538 4.919 -2.293 1.00 0.00 O ATOM 1175 NE2 GLN A 78 -3.385 6.015 -1.823 1.00 0.00 N ATOM 0 H GLN A 78 -5.231 3.635 -6.720 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.304 2.390 -4.027 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.059 3.537 -4.895 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.922 5.023 -4.551 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.520 3.706 -2.257 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.039 2.853 -2.644 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.404 6.047 -1.817 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -2.848 6.806 -1.469 1.00 0.00 H new ATOM 1184 N VAL A 79 -7.510 3.649 -4.056 1.00 0.00 N ATOM 1185 CA VAL A 79 -8.706 4.446 -3.792 1.00 0.00 C ATOM 1186 C VAL A 79 -8.744 4.905 -2.337 1.00 0.00 C ATOM 1187 O VAL A 79 -7.904 4.512 -1.526 1.00 0.00 O ATOM 1188 CB VAL A 79 -9.971 3.632 -4.114 1.00 0.00 C ATOM 1189 CG1 VAL A 79 -9.815 2.956 -5.479 1.00 0.00 C ATOM 1190 CG2 VAL A 79 -10.194 2.558 -3.039 1.00 0.00 C ATOM 0 H VAL A 79 -7.640 2.642 -3.959 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.673 5.327 -4.433 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.828 4.305 -4.134 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -10.713 2.380 -5.704 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -9.669 3.716 -6.247 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.952 2.290 -5.459 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.092 1.987 -3.276 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.335 1.888 -3.010 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.314 3.036 -2.067 1.00 0.00 H new ATOM 1200 N PHE A 80 -9.723 5.748 -2.024 1.00 0.00 N ATOM 1201 CA PHE A 80 -9.878 6.275 -0.673 1.00 0.00 C ATOM 1202 C PHE A 80 -10.886 5.443 0.119 1.00 0.00 C ATOM 1203 O PHE A 80 -11.435 4.465 -0.391 1.00 0.00 O ATOM 1204 CB PHE A 80 -10.343 7.733 -0.739 1.00 0.00 C ATOM 1205 CG PHE A 80 -9.432 8.513 -1.662 1.00 0.00 C ATOM 1206 CD1 PHE A 80 -8.099 8.752 -1.298 1.00 0.00 C ATOM 1207 CD2 PHE A 80 -9.919 8.999 -2.884 1.00 0.00 C ATOM 1208 CE1 PHE A 80 -7.257 9.474 -2.154 1.00 0.00 C ATOM 1209 CE2 PHE A 80 -9.075 9.721 -3.738 1.00 0.00 C ATOM 1210 CZ PHE A 80 -7.744 9.957 -3.373 1.00 0.00 C ATOM 0 H PHE A 80 -10.421 6.081 -2.689 1.00 0.00 H new ATOM 0 HA PHE A 80 -8.915 6.223 -0.166 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -11.371 7.782 -1.099 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -10.333 8.174 0.258 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -7.721 8.379 -0.357 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -10.945 8.817 -3.167 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -6.231 9.658 -1.872 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -9.451 10.096 -4.678 1.00 0.00 H new ATOM 0 HZ PHE A 80 -7.093 10.512 -4.033 1.00 0.00 H new ATOM 1220 N LEU A 81 -11.120 5.836 1.370 1.00 0.00 N ATOM 1221 CA LEU A 81 -12.058 5.119 2.234 1.00 0.00 C ATOM 1222 C LEU A 81 -13.497 5.225 1.717 1.00 0.00 C ATOM 1223 O LEU A 81 -14.421 4.680 2.324 1.00 0.00 O ATOM 1224 CB LEU A 81 -11.964 5.650 3.679 1.00 0.00 C ATOM 1225 CG LEU A 81 -12.572 7.065 3.829 1.00 0.00 C ATOM 1226 CD1 LEU A 81 -12.186 7.962 2.647 1.00 0.00 C ATOM 1227 CD2 LEU A 81 -14.101 6.974 3.925 1.00 0.00 C ATOM 0 H LEU A 81 -10.675 6.643 1.807 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.782 4.065 2.223 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.480 4.963 4.350 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.919 5.672 3.988 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.173 7.506 4.743 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -12.628 8.950 2.780 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -11.101 8.053 2.599 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.555 7.522 1.721 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -14.519 7.975 4.030 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -14.495 6.509 3.021 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -14.376 6.373 4.792 1.00 0.00 H new ATOM 1239 N GLU A 82 -13.678 5.909 0.589 1.00 0.00 N ATOM 1240 CA GLU A 82 -15.006 6.063 0.000 1.00 0.00 C ATOM 1241 C GLU A 82 -15.563 4.702 -0.416 1.00 0.00 C ATOM 1242 O GLU A 82 -14.835 3.863 -0.948 1.00 0.00 O ATOM 1243 CB GLU A 82 -14.930 6.981 -1.224 1.00 0.00 C ATOM 1244 CG GLU A 82 -14.720 8.431 -0.770 1.00 0.00 C ATOM 1245 CD GLU A 82 -16.045 9.037 -0.309 1.00 0.00 C ATOM 1246 OE1 GLU A 82 -16.971 9.067 -1.104 1.00 0.00 O ATOM 1247 OE2 GLU A 82 -16.112 9.467 0.832 1.00 0.00 O ATOM 0 H GLU A 82 -12.928 6.362 0.068 1.00 0.00 H new ATOM 0 HA GLU A 82 -15.668 6.505 0.744 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -14.111 6.671 -1.873 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -15.847 6.902 -1.808 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -13.994 8.464 0.043 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -14.308 9.020 -1.589 1.00 0.00 H new ATOM 1254 N HIS A 83 -16.854 4.489 -0.167 1.00 0.00 N ATOM 1255 CA HIS A 83 -17.496 3.223 -0.516 1.00 0.00 C ATOM 1256 C HIS A 83 -18.888 3.463 -1.100 1.00 0.00 C ATOM 1257 O HIS A 83 -19.695 2.538 -1.205 1.00 0.00 O ATOM 1258 CB HIS A 83 -17.609 2.330 0.726 1.00 0.00 C ATOM 1259 CG HIS A 83 -18.150 3.132 1.881 1.00 0.00 C ATOM 1260 ND1 HIS A 83 -18.962 4.242 1.697 1.00 0.00 N ATOM 1261 CD2 HIS A 83 -17.998 3.000 3.239 1.00 0.00 C ATOM 1262 CE1 HIS A 83 -19.260 4.731 2.915 1.00 0.00 C ATOM 1263 NE2 HIS A 83 -18.699 4.010 3.889 1.00 0.00 N ATOM 0 H HIS A 83 -17.472 5.171 0.272 1.00 0.00 H new ATOM 0 HA HIS A 83 -16.882 2.726 -1.267 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -18.265 1.484 0.519 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -16.632 1.920 0.981 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -17.422 2.229 3.728 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -19.878 5.601 3.084 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -18.770 4.167 4.894 1.00 0.00 H new ATOM 1271 N HIS A 84 -19.160 4.709 -1.475 1.00 0.00 N ATOM 1272 CA HIS A 84 -20.456 5.065 -2.044 1.00 0.00 C ATOM 1273 C HIS A 84 -20.272 6.038 -3.206 1.00 0.00 C ATOM 1274 O HIS A 84 -20.442 7.248 -3.053 1.00 0.00 O ATOM 1275 CB HIS A 84 -21.340 5.699 -0.965 1.00 0.00 C ATOM 1276 CG HIS A 84 -22.742 5.875 -1.489 1.00 0.00 C ATOM 1277 ND1 HIS A 84 -23.054 6.802 -2.472 1.00 0.00 N ATOM 1278 CD2 HIS A 84 -23.926 5.259 -1.167 1.00 0.00 C ATOM 1279 CE1 HIS A 84 -24.377 6.719 -2.704 1.00 0.00 C ATOM 1280 NE2 HIS A 84 -24.957 5.794 -1.935 1.00 0.00 N ATOM 0 H HIS A 84 -18.504 5.486 -1.396 1.00 0.00 H new ATOM 0 HA HIS A 84 -20.939 4.162 -2.417 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -21.351 5.069 -0.075 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -20.930 6.664 -0.667 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -22.399 7.432 -2.935 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -24.040 4.478 -0.430 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -24.905 7.326 -3.424 1.00 0.00 H new ATOM 1288 N HIS A 85 -19.924 5.497 -4.371 1.00 0.00 N ATOM 1289 CA HIS A 85 -19.724 6.325 -5.555 1.00 0.00 C ATOM 1290 C HIS A 85 -21.044 6.478 -6.315 1.00 0.00 C ATOM 1291 O HIS A 85 -22.101 6.627 -5.699 1.00 0.00 O ATOM 1292 CB HIS A 85 -18.650 5.699 -6.454 1.00 0.00 C ATOM 1293 CG HIS A 85 -18.150 6.720 -7.444 1.00 0.00 C ATOM 1294 ND1 HIS A 85 -17.143 6.433 -8.352 1.00 0.00 N ATOM 1295 CD2 HIS A 85 -18.512 8.023 -7.686 1.00 0.00 C ATOM 1296 CE1 HIS A 85 -16.935 7.539 -9.090 1.00 0.00 C ATOM 1297 NE2 HIS A 85 -17.744 8.538 -8.726 1.00 0.00 N ATOM 0 H HIS A 85 -19.776 4.499 -4.519 1.00 0.00 H new ATOM 0 HA HIS A 85 -19.386 7.315 -5.249 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -17.822 5.334 -5.846 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -19.062 4.839 -6.982 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -19.277 8.566 -7.150 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -16.203 7.610 -9.881 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -17.789 9.476 -9.124 1.00 0.00 H new ATOM 1305 N HIS A 86 -20.982 6.448 -7.646 1.00 0.00 N ATOM 1306 CA HIS A 86 -22.181 6.596 -8.467 1.00 0.00 C ATOM 1307 C HIS A 86 -23.001 7.807 -8.002 1.00 0.00 C ATOM 1308 O HIS A 86 -22.457 8.899 -7.832 1.00 0.00 O ATOM 1309 CB HIS A 86 -23.029 5.318 -8.401 1.00 0.00 C ATOM 1310 CG HIS A 86 -24.062 5.338 -9.497 1.00 0.00 C ATOM 1311 ND1 HIS A 86 -25.413 5.496 -9.235 1.00 0.00 N ATOM 1312 CD2 HIS A 86 -23.954 5.232 -10.860 1.00 0.00 C ATOM 1313 CE1 HIS A 86 -26.060 5.482 -10.414 1.00 0.00 C ATOM 1314 NE2 HIS A 86 -25.218 5.323 -11.438 1.00 0.00 N ATOM 0 H HIS A 86 -20.119 6.323 -8.175 1.00 0.00 H new ATOM 0 HA HIS A 86 -21.878 6.761 -9.501 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -22.391 4.441 -8.505 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -23.517 5.243 -7.429 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -23.030 5.098 -11.403 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -27.130 5.587 -10.520 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -25.450 5.278 -12.430 1.00 0.00 H new ATOM 1322 N HIS A 87 -24.304 7.606 -7.804 1.00 0.00 N ATOM 1323 CA HIS A 87 -25.194 8.683 -7.365 1.00 0.00 C ATOM 1324 C HIS A 87 -26.389 8.098 -6.621 1.00 0.00 C ATOM 1325 O HIS A 87 -26.545 8.298 -5.416 1.00 0.00 O ATOM 1326 CB HIS A 87 -25.697 9.491 -8.573 1.00 0.00 C ATOM 1327 CG HIS A 87 -24.662 9.482 -9.668 1.00 0.00 C ATOM 1328 ND1 HIS A 87 -24.351 8.333 -10.379 1.00 0.00 N ATOM 1329 CD2 HIS A 87 -23.853 10.467 -10.177 1.00 0.00 C ATOM 1330 CE1 HIS A 87 -23.392 8.652 -11.267 1.00 0.00 C ATOM 1331 NE2 HIS A 87 -23.051 9.941 -11.186 1.00 0.00 N ATOM 0 H HIS A 87 -24.767 6.708 -7.940 1.00 0.00 H new ATOM 0 HA HIS A 87 -24.635 9.343 -6.701 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -26.631 9.066 -8.941 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -25.910 10.517 -8.271 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -23.841 11.495 -9.845 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -22.952 7.951 -11.961 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -22.353 10.434 -11.743 1.00 0.00 H new ATOM 1339 N HIS A 88 -27.229 7.367 -7.355 1.00 0.00 N ATOM 1340 CA HIS A 88 -28.411 6.744 -6.771 1.00 0.00 C ATOM 1341 C HIS A 88 -28.407 5.242 -7.054 1.00 0.00 C ATOM 1342 O HIS A 88 -28.839 4.854 -8.128 1.00 0.00 O ATOM 1343 CB HIS A 88 -29.682 7.392 -7.345 1.00 0.00 C ATOM 1344 CG HIS A 88 -30.865 7.051 -6.478 1.00 0.00 C ATOM 1345 ND1 HIS A 88 -31.653 8.027 -5.886 1.00 0.00 N ATOM 1346 CD2 HIS A 88 -31.413 5.849 -6.102 1.00 0.00 C ATOM 1347 CE1 HIS A 88 -32.623 7.401 -5.193 1.00 0.00 C ATOM 1348 NE2 HIS A 88 -32.523 6.073 -5.291 1.00 0.00 N ATOM 1349 OXT HIS A 88 -27.962 4.501 -6.194 1.00 0.00 O ATOM 0 H HIS A 88 -27.111 7.194 -8.353 1.00 0.00 H new ATOM 0 HA HIS A 88 -28.396 6.895 -5.692 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -29.558 8.474 -7.397 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -29.852 7.041 -8.363 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -31.040 4.878 -6.391 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -33.389 7.911 -4.627 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -33.129 5.373 -4.864 1.00 0.00 H new TER 1357 HIS A 88