USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 606 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 16 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 80 THR OG1 : rot 34:sc= 1.38 USER MOD Single : A 9 MET CE :methyl 153:sc= -6.04! (180deg=-7.45!) USER MOD Single : A 20 ASN : amide:sc= 0.153 K(o=0.15,f=-1.7!) USER MOD Single : A 28 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 29 CYS SG : rot 126:sc= 0.898 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -163:sc= -1.43! (180deg=-2.22!) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 43 GLN : amide:sc= -0.766 X(o=-0.77,f=-0.47) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 144:sc= -1.98! (180deg=-2.51!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -46:sc= 0.106 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.692 USER MOD Single : A 66 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0782) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -4.84! C(o=-4.8!,f=-4.4!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 74 ASN : amide:sc= -11.6! C(o=-12!,f=-20!) USER MOD Single : A 75 SER OG : rot 30:sc= 0.839 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.0988 USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 6.030 -4.700 16.989 1.00 0.00 N ATOM 67 CA ARG A 8 7.277 -4.313 16.340 1.00 0.00 C ATOM 68 C ARG A 8 7.008 -3.678 14.979 1.00 0.00 C ATOM 69 O ARG A 8 6.116 -4.108 14.249 1.00 0.00 O ATOM 70 CB ARG A 8 8.190 -5.529 16.176 1.00 0.00 C ATOM 71 CG ARG A 8 7.565 -6.657 15.371 1.00 0.00 C ATOM 72 CD ARG A 8 8.609 -7.666 14.920 1.00 0.00 C ATOM 73 NE ARG A 8 8.951 -8.610 15.980 1.00 0.00 N ATOM 74 CZ ARG A 8 9.454 -9.819 15.754 1.00 0.00 C ATOM 75 NH1 ARG A 8 9.673 -10.227 14.512 1.00 0.00 N ATOM 76 NH2 ARG A 8 9.740 -10.621 16.771 1.00 0.00 N ATOM 0 HA ARG A 8 7.773 -3.577 16.973 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.114 -5.216 15.690 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.461 -5.905 17.163 1.00 0.00 H new ATOM 0 HG2 ARG A 8 6.809 -7.160 15.974 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.056 -6.245 14.500 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.235 -8.213 14.055 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.508 -7.139 14.600 1.00 0.00 H new ATOM 0 HE ARG A 8 8.795 -8.326 16.947 1.00 0.00 H new ATOM 0 HH11 ARG A 8 9.455 -9.613 13.727 1.00 0.00 H new ATOM 0 HH12 ARG A 8 10.059 -11.155 14.341 1.00 0.00 H new ATOM 0 HH21 ARG A 8 9.574 -10.310 17.728 1.00 0.00 H new ATOM 0 HH22 ARG A 8 10.126 -11.549 16.596 1.00 0.00 H new ATOM 90 N MET A 9 7.786 -2.653 14.646 1.00 0.00 N ATOM 91 CA MET A 9 7.631 -1.959 13.373 1.00 0.00 C ATOM 92 C MET A 9 8.151 -2.815 12.222 1.00 0.00 C ATOM 93 O MET A 9 9.226 -3.408 12.312 1.00 0.00 O ATOM 94 CB MET A 9 8.372 -0.621 13.404 1.00 0.00 C ATOM 95 CG MET A 9 7.980 0.263 14.576 1.00 0.00 C ATOM 96 SD MET A 9 6.473 1.203 14.265 1.00 0.00 S ATOM 97 CE MET A 9 5.247 -0.103 14.301 1.00 0.00 C ATOM 0 H MET A 9 8.529 -2.285 15.240 1.00 0.00 H new ATOM 0 HA MET A 9 6.569 -1.774 13.215 1.00 0.00 H new ATOM 0 HB2 MET A 9 9.445 -0.810 13.445 1.00 0.00 H new ATOM 0 HB3 MET A 9 8.178 -0.086 12.475 1.00 0.00 H new ATOM 0 HG2 MET A 9 7.841 -0.356 15.462 1.00 0.00 H new ATOM 0 HG3 MET A 9 8.795 0.953 14.794 1.00 0.00 H new ATOM 0 HE1 MET A 9 4.284 0.310 14.603 1.00 0.00 H new ATOM 0 HE2 MET A 9 5.157 -0.545 13.309 1.00 0.00 H new ATOM 0 HE3 MET A 9 5.553 -0.869 15.013 1.00 0.00 H new ATOM 107 N LEU A 10 7.381 -2.874 11.141 1.00 0.00 N ATOM 108 CA LEU A 10 7.763 -3.657 9.971 1.00 0.00 C ATOM 109 C LEU A 10 8.076 -2.749 8.786 1.00 0.00 C ATOM 110 O LEU A 10 7.282 -1.877 8.433 1.00 0.00 O ATOM 111 CB LEU A 10 6.646 -4.634 9.599 1.00 0.00 C ATOM 112 CG LEU A 10 6.231 -5.625 10.687 1.00 0.00 C ATOM 113 CD1 LEU A 10 4.797 -6.082 10.473 1.00 0.00 C ATOM 114 CD2 LEU A 10 7.175 -6.818 10.709 1.00 0.00 C ATOM 0 H LEU A 10 6.488 -2.389 11.050 1.00 0.00 H new ATOM 0 HA LEU A 10 8.662 -4.221 10.220 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.768 -4.057 9.307 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.962 -5.199 8.722 1.00 0.00 H new ATOM 0 HG LEU A 10 6.290 -5.122 11.652 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.519 -6.787 11.257 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.131 -5.220 10.508 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.711 -6.568 9.501 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.865 -7.513 11.489 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.148 -7.321 9.743 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.190 -6.475 10.911 1.00 0.00 H new ATOM 126 N ASP A 11 9.236 -2.962 8.175 1.00 0.00 N ATOM 127 CA ASP A 11 9.653 -2.165 7.027 1.00 0.00 C ATOM 128 C ASP A 11 9.056 -2.717 5.736 1.00 0.00 C ATOM 129 O ASP A 11 9.600 -3.642 5.134 1.00 0.00 O ATOM 130 CB ASP A 11 11.179 -2.136 6.926 1.00 0.00 C ATOM 131 CG ASP A 11 11.667 -1.269 5.782 1.00 0.00 C ATOM 132 OD1 ASP A 11 11.158 -1.434 4.654 1.00 0.00 O ATOM 133 OD2 ASP A 11 12.559 -0.427 6.014 1.00 0.00 O ATOM 0 H ASP A 11 9.904 -3.680 8.455 1.00 0.00 H new ATOM 0 HA ASP A 11 9.287 -1.148 7.170 1.00 0.00 H new ATOM 0 HB2 ASP A 11 11.595 -1.765 7.863 1.00 0.00 H new ATOM 0 HB3 ASP A 11 11.551 -3.152 6.792 1.00 0.00 H new ATOM 138 N PHE A 12 7.932 -2.144 5.318 1.00 0.00 N ATOM 139 CA PHE A 12 7.259 -2.580 4.100 1.00 0.00 C ATOM 140 C PHE A 12 7.664 -1.711 2.914 1.00 0.00 C ATOM 141 O PHE A 12 7.266 -0.550 2.816 1.00 0.00 O ATOM 142 CB PHE A 12 5.741 -2.532 4.286 1.00 0.00 C ATOM 143 CG PHE A 12 5.179 -3.759 4.947 1.00 0.00 C ATOM 144 CD1 PHE A 12 5.203 -3.893 6.326 1.00 0.00 C ATOM 145 CD2 PHE A 12 4.626 -4.779 4.188 1.00 0.00 C ATOM 146 CE1 PHE A 12 4.688 -5.021 6.935 1.00 0.00 C ATOM 147 CE2 PHE A 12 4.109 -5.909 4.793 1.00 0.00 C ATOM 148 CZ PHE A 12 4.139 -6.030 6.168 1.00 0.00 C ATOM 0 H PHE A 12 7.468 -1.377 5.805 1.00 0.00 H new ATOM 0 HA PHE A 12 7.561 -3.607 3.896 1.00 0.00 H new ATOM 0 HB2 PHE A 12 5.484 -1.657 4.883 1.00 0.00 H new ATOM 0 HB3 PHE A 12 5.267 -2.404 3.313 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.629 -3.107 6.931 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.599 -4.690 3.112 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.715 -5.114 8.011 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.682 -6.697 4.190 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.734 -6.912 6.643 1.00 0.00 H new ATOM 158 N ARG A 13 8.459 -2.281 2.014 1.00 0.00 N ATOM 159 CA ARG A 13 8.921 -1.558 0.835 1.00 0.00 C ATOM 160 C ARG A 13 7.971 -1.772 -0.340 1.00 0.00 C ATOM 161 O ARG A 13 7.959 -2.837 -0.957 1.00 0.00 O ATOM 162 CB ARG A 13 10.331 -2.011 0.453 1.00 0.00 C ATOM 163 CG ARG A 13 10.868 -1.339 -0.800 1.00 0.00 C ATOM 164 CD ARG A 13 12.383 -1.208 -0.756 1.00 0.00 C ATOM 165 NE ARG A 13 12.956 -1.034 -2.088 1.00 0.00 N ATOM 166 CZ ARG A 13 14.255 -0.874 -2.314 1.00 0.00 C ATOM 167 NH1 ARG A 13 15.111 -0.868 -1.302 1.00 0.00 N ATOM 168 NH2 ARG A 13 14.700 -0.722 -3.555 1.00 0.00 N ATOM 0 H ARG A 13 8.797 -3.241 2.079 1.00 0.00 H new ATOM 0 HA ARG A 13 8.941 -0.495 1.076 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.007 -1.806 1.283 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.329 -3.091 0.303 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.577 -1.917 -1.677 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.419 -0.351 -0.905 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.655 -0.358 -0.130 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.810 -2.096 -0.291 1.00 0.00 H new ATOM 0 HE ARG A 13 12.324 -1.035 -2.889 1.00 0.00 H new ATOM 0 HH11 ARG A 13 14.773 -0.986 -0.347 1.00 0.00 H new ATOM 0 HH12 ARG A 13 16.108 -0.745 -1.478 1.00 0.00 H new ATOM 0 HH21 ARG A 13 14.044 -0.728 -4.336 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.698 -0.599 -3.728 1.00 0.00 H new ATOM 182 N VAL A 14 7.175 -0.751 -0.643 1.00 0.00 N ATOM 183 CA VAL A 14 6.221 -0.826 -1.744 1.00 0.00 C ATOM 184 C VAL A 14 6.817 -0.258 -3.027 1.00 0.00 C ATOM 185 O VAL A 14 7.150 0.925 -3.096 1.00 0.00 O ATOM 186 CB VAL A 14 4.922 -0.068 -1.414 1.00 0.00 C ATOM 187 CG1 VAL A 14 3.920 -0.205 -2.550 1.00 0.00 C ATOM 188 CG2 VAL A 14 4.330 -0.570 -0.106 1.00 0.00 C ATOM 0 H VAL A 14 7.172 0.137 -0.142 1.00 0.00 H new ATOM 0 HA VAL A 14 5.989 -1.881 -1.891 1.00 0.00 H new ATOM 0 HB VAL A 14 5.159 0.989 -1.297 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.008 0.337 -2.299 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.347 0.208 -3.464 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.685 -1.258 -2.703 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.412 -0.023 0.112 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.107 -1.633 -0.192 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.046 -0.414 0.701 1.00 0.00 H new ATOM 198 N GLU A 15 6.948 -1.108 -4.040 1.00 0.00 N ATOM 199 CA GLU A 15 7.504 -0.690 -5.321 1.00 0.00 C ATOM 200 C GLU A 15 6.399 -0.242 -6.274 1.00 0.00 C ATOM 201 O GLU A 15 5.669 -1.066 -6.825 1.00 0.00 O ATOM 202 CB GLU A 15 8.306 -1.830 -5.951 1.00 0.00 C ATOM 203 CG GLU A 15 9.099 -1.412 -7.178 1.00 0.00 C ATOM 204 CD GLU A 15 9.473 -2.587 -8.060 1.00 0.00 C ATOM 205 OE1 GLU A 15 8.686 -3.554 -8.127 1.00 0.00 O ATOM 206 OE2 GLU A 15 10.555 -2.540 -8.682 1.00 0.00 O ATOM 0 H GLU A 15 6.677 -2.090 -3.998 1.00 0.00 H new ATOM 0 HA GLU A 15 8.169 0.155 -5.141 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.992 -2.235 -5.207 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.623 -2.634 -6.227 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.514 -0.699 -7.758 1.00 0.00 H new ATOM 0 HG3 GLU A 15 10.006 -0.897 -6.861 1.00 0.00 H new ATOM 213 N TYR A 16 6.283 1.067 -6.462 1.00 0.00 N ATOM 214 CA TYR A 16 5.266 1.625 -7.346 1.00 0.00 C ATOM 215 C TYR A 16 5.904 2.259 -8.579 1.00 0.00 C ATOM 216 O TYR A 16 7.060 2.679 -8.547 1.00 0.00 O ATOM 217 CB TYR A 16 4.428 2.665 -6.600 1.00 0.00 C ATOM 218 CG TYR A 16 3.420 3.372 -7.477 1.00 0.00 C ATOM 219 CD1 TYR A 16 2.448 2.659 -8.168 1.00 0.00 C ATOM 220 CD2 TYR A 16 3.439 4.755 -7.615 1.00 0.00 C ATOM 221 CE1 TYR A 16 1.526 3.301 -8.971 1.00 0.00 C ATOM 222 CE2 TYR A 16 2.520 5.406 -8.415 1.00 0.00 C ATOM 223 CZ TYR A 16 1.566 4.674 -9.091 1.00 0.00 C ATOM 224 OH TYR A 16 0.648 5.318 -9.890 1.00 0.00 O ATOM 0 H TYR A 16 6.880 1.762 -6.014 1.00 0.00 H new ATOM 0 HA TYR A 16 4.618 0.811 -7.672 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.903 2.176 -5.779 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.094 3.405 -6.156 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.413 1.584 -8.075 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.185 5.331 -7.088 1.00 0.00 H new ATOM 0 HE1 TYR A 16 0.778 2.731 -9.502 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.548 6.481 -8.511 1.00 0.00 H new ATOM 0 HH TYR A 16 0.813 6.284 -9.865 1.00 0.00 H new ATOM 234 N ARG A 17 5.140 2.324 -9.664 1.00 0.00 N ATOM 235 CA ARG A 17 5.628 2.905 -10.908 1.00 0.00 C ATOM 236 C ARG A 17 6.579 4.066 -10.630 1.00 0.00 C ATOM 237 O ARG A 17 7.741 4.041 -11.036 1.00 0.00 O ATOM 238 CB ARG A 17 4.457 3.386 -11.766 1.00 0.00 C ATOM 239 CG ARG A 17 3.502 2.275 -12.171 1.00 0.00 C ATOM 240 CD ARG A 17 2.093 2.804 -12.391 1.00 0.00 C ATOM 241 NE ARG A 17 1.896 3.284 -13.756 1.00 0.00 N ATOM 242 CZ ARG A 17 0.760 3.816 -14.191 1.00 0.00 C ATOM 243 NH1 ARG A 17 -0.276 3.936 -13.373 1.00 0.00 N ATOM 244 NH2 ARG A 17 0.658 4.230 -15.448 1.00 0.00 N ATOM 0 H ARG A 17 4.180 1.981 -9.707 1.00 0.00 H new ATOM 0 HA ARG A 17 6.173 2.133 -11.450 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.903 4.147 -11.216 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.848 3.863 -12.665 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.860 1.801 -13.085 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.487 1.507 -11.398 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.372 2.015 -12.176 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.897 3.615 -11.690 1.00 0.00 H new ATOM 0 HE ARG A 17 2.674 3.206 -14.411 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.202 3.619 -12.406 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.147 4.345 -13.710 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.453 4.140 -16.081 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.215 4.639 -15.781 1.00 0.00 H new ATOM 258 N ASP A 18 6.077 5.081 -9.936 1.00 0.00 N ATOM 259 CA ASP A 18 6.880 6.251 -9.602 1.00 0.00 C ATOM 260 C ASP A 18 8.224 5.837 -9.010 1.00 0.00 C ATOM 261 O ASP A 18 9.278 6.110 -9.584 1.00 0.00 O ATOM 262 CB ASP A 18 6.129 7.149 -8.617 1.00 0.00 C ATOM 263 CG ASP A 18 4.914 7.804 -9.242 1.00 0.00 C ATOM 264 OD1 ASP A 18 4.870 7.910 -10.486 1.00 0.00 O ATOM 265 OD2 ASP A 18 4.006 8.211 -8.488 1.00 0.00 O ATOM 0 H ASP A 18 5.117 5.117 -9.594 1.00 0.00 H new ATOM 0 HA ASP A 18 7.064 6.808 -10.521 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.817 6.558 -7.756 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.804 7.921 -8.246 1.00 0.00 H new ATOM 270 N ARG A 19 8.178 5.177 -7.857 1.00 0.00 N ATOM 271 CA ARG A 19 9.391 4.727 -7.186 1.00 0.00 C ATOM 272 C ARG A 19 9.053 3.893 -5.953 1.00 0.00 C ATOM 273 O ARG A 19 7.888 3.760 -5.582 1.00 0.00 O ATOM 274 CB ARG A 19 10.251 5.926 -6.783 1.00 0.00 C ATOM 275 CG ARG A 19 9.639 6.771 -5.677 1.00 0.00 C ATOM 276 CD ARG A 19 8.539 7.675 -6.211 1.00 0.00 C ATOM 277 NE ARG A 19 8.241 8.773 -5.296 1.00 0.00 N ATOM 278 CZ ARG A 19 8.969 9.881 -5.216 1.00 0.00 C ATOM 279 NH1 ARG A 19 10.032 10.038 -5.993 1.00 0.00 N ATOM 280 NH2 ARG A 19 8.633 10.836 -4.358 1.00 0.00 N ATOM 0 H ARG A 19 7.314 4.942 -7.369 1.00 0.00 H new ATOM 0 HA ARG A 19 9.952 4.104 -7.883 1.00 0.00 H new ATOM 0 HB2 ARG A 19 11.228 5.568 -6.457 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.417 6.554 -7.658 1.00 0.00 H new ATOM 0 HG2 ARG A 19 9.233 6.120 -4.903 1.00 0.00 H new ATOM 0 HG3 ARG A 19 10.415 7.377 -5.209 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.840 8.080 -7.177 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.636 7.087 -6.378 1.00 0.00 H new ATOM 0 HE ARG A 19 7.429 8.684 -4.685 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.293 9.307 -6.655 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.589 10.890 -5.929 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.815 10.719 -3.760 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.192 11.687 -4.297 1.00 0.00 H new ATOM 294 N ASN A 20 10.081 3.333 -5.324 1.00 0.00 N ATOM 295 CA ASN A 20 9.893 2.511 -4.134 1.00 0.00 C ATOM 296 C ASN A 20 9.892 3.371 -2.873 1.00 0.00 C ATOM 297 O ASN A 20 10.744 4.242 -2.703 1.00 0.00 O ATOM 298 CB ASN A 20 10.993 1.451 -4.041 1.00 0.00 C ATOM 299 CG ASN A 20 12.333 1.965 -4.532 1.00 0.00 C ATOM 300 OD1 ASN A 20 12.555 2.102 -5.735 1.00 0.00 O ATOM 301 ND2 ASN A 20 13.234 2.251 -3.599 1.00 0.00 N ATOM 0 H ASN A 20 11.052 3.433 -5.618 1.00 0.00 H new ATOM 0 HA ASN A 20 8.926 2.015 -4.215 1.00 0.00 H new ATOM 0 HB2 ASN A 20 11.090 1.122 -3.007 1.00 0.00 H new ATOM 0 HB3 ASN A 20 10.704 0.579 -4.628 1.00 0.00 H new ATOM 0 HD21 ASN A 20 14.154 2.600 -3.868 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.006 2.122 -2.613 1.00 0.00 H new ATOM 308 N VAL A 21 8.929 3.118 -1.992 1.00 0.00 N ATOM 309 CA VAL A 21 8.818 3.867 -0.746 1.00 0.00 C ATOM 310 C VAL A 21 8.828 2.934 0.459 1.00 0.00 C ATOM 311 O VAL A 21 8.301 1.822 0.401 1.00 0.00 O ATOM 312 CB VAL A 21 7.533 4.715 -0.714 1.00 0.00 C ATOM 313 CG1 VAL A 21 6.303 3.824 -0.794 1.00 0.00 C ATOM 314 CG2 VAL A 21 7.496 5.579 0.538 1.00 0.00 C ATOM 0 H VAL A 21 8.215 2.401 -2.118 1.00 0.00 H new ATOM 0 HA VAL A 21 9.683 4.529 -0.696 1.00 0.00 H new ATOM 0 HB VAL A 21 7.531 5.374 -1.582 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.405 4.441 -0.770 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.327 3.253 -1.722 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.295 3.138 0.053 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.581 6.172 0.544 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.521 4.941 1.421 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.359 6.244 0.547 1.00 0.00 H new ATOM 324 N ASP A 22 9.429 3.392 1.551 1.00 0.00 N ATOM 325 CA ASP A 22 9.507 2.599 2.772 1.00 0.00 C ATOM 326 C ASP A 22 8.322 2.893 3.687 1.00 0.00 C ATOM 327 O ASP A 22 8.016 4.051 3.971 1.00 0.00 O ATOM 328 CB ASP A 22 10.817 2.882 3.508 1.00 0.00 C ATOM 329 CG ASP A 22 11.175 1.789 4.495 1.00 0.00 C ATOM 330 OD1 ASP A 22 10.252 1.099 4.975 1.00 0.00 O ATOM 331 OD2 ASP A 22 12.378 1.624 4.787 1.00 0.00 O ATOM 0 H ASP A 22 9.870 4.310 1.616 1.00 0.00 H new ATOM 0 HA ASP A 22 9.477 1.546 2.494 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.622 2.989 2.782 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.736 3.832 4.036 1.00 0.00 H new ATOM 336 N VAL A 23 7.658 1.836 4.145 1.00 0.00 N ATOM 337 CA VAL A 23 6.506 1.981 5.028 1.00 0.00 C ATOM 338 C VAL A 23 6.767 1.332 6.382 1.00 0.00 C ATOM 339 O VAL A 23 7.425 0.294 6.469 1.00 0.00 O ATOM 340 CB VAL A 23 5.242 1.358 4.407 1.00 0.00 C ATOM 341 CG1 VAL A 23 4.089 1.390 5.399 1.00 0.00 C ATOM 342 CG2 VAL A 23 4.869 2.079 3.121 1.00 0.00 C ATOM 0 H VAL A 23 7.898 0.871 3.919 1.00 0.00 H new ATOM 0 HA VAL A 23 6.345 3.050 5.166 1.00 0.00 H new ATOM 0 HB VAL A 23 5.453 0.317 4.164 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.204 0.946 4.943 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.360 0.825 6.291 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.875 2.423 5.675 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.974 1.625 2.696 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.676 3.130 3.336 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.690 1.999 2.408 1.00 0.00 H new ATOM 352 N VAL A 24 6.247 1.949 7.438 1.00 0.00 N ATOM 353 CA VAL A 24 6.422 1.430 8.790 1.00 0.00 C ATOM 354 C VAL A 24 5.081 1.280 9.499 1.00 0.00 C ATOM 355 O VAL A 24 4.382 2.265 9.744 1.00 0.00 O ATOM 356 CB VAL A 24 7.334 2.345 9.628 1.00 0.00 C ATOM 357 CG1 VAL A 24 7.089 2.128 11.113 1.00 0.00 C ATOM 358 CG2 VAL A 24 8.795 2.104 9.280 1.00 0.00 C ATOM 0 H VAL A 24 5.701 2.809 7.384 1.00 0.00 H new ATOM 0 HA VAL A 24 6.891 0.450 8.695 1.00 0.00 H new ATOM 0 HB VAL A 24 7.094 3.382 9.392 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.742 2.783 11.689 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.049 2.355 11.347 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.300 1.090 11.369 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.425 2.759 9.882 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.051 1.065 9.486 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.957 2.315 8.223 1.00 0.00 H new ATOM 368 N LEU A 25 4.727 0.043 9.826 1.00 0.00 N ATOM 369 CA LEU A 25 3.468 -0.237 10.509 1.00 0.00 C ATOM 370 C LEU A 25 3.583 -1.491 11.370 1.00 0.00 C ATOM 371 O LEU A 25 4.069 -2.526 10.914 1.00 0.00 O ATOM 372 CB LEU A 25 2.339 -0.406 9.490 1.00 0.00 C ATOM 373 CG LEU A 25 2.106 -1.827 8.976 1.00 0.00 C ATOM 374 CD1 LEU A 25 0.739 -1.939 8.318 1.00 0.00 C ATOM 375 CD2 LEU A 25 3.203 -2.228 8.001 1.00 0.00 C ATOM 0 H LEU A 25 5.293 -0.782 9.630 1.00 0.00 H new ATOM 0 HA LEU A 25 3.240 0.608 11.159 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.413 -0.048 9.940 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.548 0.238 8.636 1.00 0.00 H new ATOM 0 HG LEU A 25 2.135 -2.509 9.825 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.591 -2.957 7.958 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.036 -1.694 9.045 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.681 -1.246 7.479 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.021 -3.242 7.645 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.206 -1.542 7.154 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.169 -2.188 8.504 1.00 0.00 H new ATOM 387 N GLU A 26 3.129 -1.391 12.616 1.00 0.00 N ATOM 388 CA GLU A 26 3.181 -2.518 13.539 1.00 0.00 C ATOM 389 C GLU A 26 2.412 -3.713 12.983 1.00 0.00 C ATOM 390 O GLU A 26 1.637 -3.579 12.036 1.00 0.00 O ATOM 391 CB GLU A 26 2.607 -2.118 14.900 1.00 0.00 C ATOM 392 CG GLU A 26 1.133 -1.749 14.855 1.00 0.00 C ATOM 393 CD GLU A 26 0.909 -0.265 14.640 1.00 0.00 C ATOM 394 OE1 GLU A 26 0.868 0.166 13.469 1.00 0.00 O ATOM 395 OE2 GLU A 26 0.775 0.465 15.644 1.00 0.00 O ATOM 0 H GLU A 26 2.722 -0.542 13.008 1.00 0.00 H new ATOM 0 HA GLU A 26 4.225 -2.805 13.663 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.745 -2.942 15.600 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.173 -1.272 15.289 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.647 -2.306 14.054 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.658 -2.053 15.788 1.00 0.00 H new ATOM 402 N ASP A 27 2.633 -4.880 13.577 1.00 0.00 N ATOM 403 CA ASP A 27 1.961 -6.099 13.142 1.00 0.00 C ATOM 404 C ASP A 27 0.539 -6.162 13.691 1.00 0.00 C ATOM 405 O ASP A 27 -0.265 -6.994 13.270 1.00 0.00 O ATOM 406 CB ASP A 27 2.750 -7.330 13.593 1.00 0.00 C ATOM 407 CG ASP A 27 3.349 -7.160 14.975 1.00 0.00 C ATOM 408 OD1 ASP A 27 2.663 -6.596 15.853 1.00 0.00 O ATOM 409 OD2 ASP A 27 4.504 -7.589 15.178 1.00 0.00 O ATOM 0 H ASP A 27 3.272 -5.008 14.361 1.00 0.00 H new ATOM 0 HA ASP A 27 1.910 -6.088 12.053 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.093 -8.200 13.589 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.547 -7.529 12.877 1.00 0.00 H new ATOM 414 N THR A 28 0.236 -5.277 14.636 1.00 0.00 N ATOM 415 CA THR A 28 -1.088 -5.233 15.245 1.00 0.00 C ATOM 416 C THR A 28 -2.084 -4.512 14.344 1.00 0.00 C ATOM 417 O THR A 28 -3.285 -4.502 14.614 1.00 0.00 O ATOM 418 CB THR A 28 -1.052 -4.532 16.616 1.00 0.00 C ATOM 419 OG1 THR A 28 -1.181 -3.116 16.445 1.00 0.00 O ATOM 420 CG2 THR A 28 0.243 -4.844 17.350 1.00 0.00 C ATOM 0 H THR A 28 0.889 -4.581 14.996 1.00 0.00 H new ATOM 0 HA THR A 28 -1.408 -6.266 15.381 1.00 0.00 H new ATOM 0 HB THR A 28 -1.886 -4.903 17.211 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.159 -2.677 17.321 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.245 -4.338 18.315 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.324 -5.920 17.504 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.090 -4.498 16.757 1.00 0.00 H new ATOM 428 N CYS A 29 -1.578 -3.911 13.273 1.00 0.00 N ATOM 429 CA CYS A 29 -2.424 -3.187 12.331 1.00 0.00 C ATOM 430 C CYS A 29 -3.008 -4.133 11.286 1.00 0.00 C ATOM 431 O CYS A 29 -2.446 -5.193 11.009 1.00 0.00 O ATOM 432 CB CYS A 29 -1.626 -2.079 11.643 1.00 0.00 C ATOM 433 SG CYS A 29 -1.674 -0.491 12.506 1.00 0.00 S ATOM 0 H CYS A 29 -0.586 -3.911 13.035 1.00 0.00 H new ATOM 0 HA CYS A 29 -3.246 -2.739 12.890 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.588 -2.398 11.549 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.010 -1.943 10.632 1.00 0.00 H new ATOM 0 HG CYS A 29 -0.461 -0.079 12.725 1.00 0.00 H new ATOM 439 N THR A 30 -4.141 -3.744 10.710 1.00 0.00 N ATOM 440 CA THR A 30 -4.803 -4.558 9.698 1.00 0.00 C ATOM 441 C THR A 30 -4.166 -4.357 8.328 1.00 0.00 C ATOM 442 O THR A 30 -3.825 -3.236 7.949 1.00 0.00 O ATOM 443 CB THR A 30 -6.305 -4.229 9.607 1.00 0.00 C ATOM 444 OG1 THR A 30 -6.856 -4.086 10.921 1.00 0.00 O ATOM 445 CG2 THR A 30 -7.053 -5.318 8.854 1.00 0.00 C ATOM 0 H THR A 30 -4.620 -2.870 10.927 1.00 0.00 H new ATOM 0 HA THR A 30 -4.684 -5.598 10.001 1.00 0.00 H new ATOM 0 HB THR A 30 -6.416 -3.291 9.063 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.811 -3.875 10.854 1.00 0.00 H new ATOM 0 HG21 THR A 30 -8.112 -5.063 8.803 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.651 -5.404 7.844 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.933 -6.268 9.374 1.00 0.00 H new ATOM 453 N VAL A 31 -4.009 -5.449 7.587 1.00 0.00 N ATOM 454 CA VAL A 31 -3.414 -5.393 6.257 1.00 0.00 C ATOM 455 C VAL A 31 -3.969 -4.219 5.457 1.00 0.00 C ATOM 456 O VAL A 31 -3.288 -3.665 4.595 1.00 0.00 O ATOM 457 CB VAL A 31 -3.663 -6.696 5.475 1.00 0.00 C ATOM 458 CG1 VAL A 31 -2.807 -7.824 6.031 1.00 0.00 C ATOM 459 CG2 VAL A 31 -5.138 -7.067 5.513 1.00 0.00 C ATOM 0 H VAL A 31 -4.286 -6.384 7.886 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.341 -5.261 6.395 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.379 -6.535 4.435 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.996 -8.737 5.466 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.754 -7.557 5.947 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.057 -7.988 7.079 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.295 -7.990 4.955 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.451 -7.210 6.547 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.726 -6.267 5.064 1.00 0.00 H new ATOM 469 N GLY A 32 -5.211 -3.845 5.749 1.00 0.00 N ATOM 470 CA GLY A 32 -5.837 -2.739 5.048 1.00 0.00 C ATOM 471 C GLY A 32 -5.103 -1.430 5.259 1.00 0.00 C ATOM 472 O GLY A 32 -4.984 -0.623 4.338 1.00 0.00 O ATOM 0 H GLY A 32 -5.795 -4.288 6.458 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.875 -2.963 3.982 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.867 -2.633 5.388 1.00 0.00 H new ATOM 476 N GLU A 33 -4.611 -1.218 6.476 1.00 0.00 N ATOM 477 CA GLU A 33 -3.888 0.005 6.805 1.00 0.00 C ATOM 478 C GLU A 33 -2.885 0.355 5.709 1.00 0.00 C ATOM 479 O GLU A 33 -2.948 1.432 5.117 1.00 0.00 O ATOM 480 CB GLU A 33 -3.164 -0.149 8.144 1.00 0.00 C ATOM 481 CG GLU A 33 -3.998 0.278 9.340 1.00 0.00 C ATOM 482 CD GLU A 33 -4.161 1.783 9.429 1.00 0.00 C ATOM 483 OE1 GLU A 33 -3.279 2.440 10.020 1.00 0.00 O ATOM 484 OE2 GLU A 33 -5.171 2.303 8.910 1.00 0.00 O ATOM 0 H GLU A 33 -4.700 -1.877 7.250 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.612 0.816 6.883 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.870 -1.191 8.270 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.248 0.441 8.122 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.982 -0.187 9.277 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.530 -0.088 10.254 1.00 0.00 H new ATOM 491 N ILE A 34 -1.961 -0.563 5.446 1.00 0.00 N ATOM 492 CA ILE A 34 -0.946 -0.352 4.422 1.00 0.00 C ATOM 493 C ILE A 34 -1.504 0.448 3.250 1.00 0.00 C ATOM 494 O ILE A 34 -0.857 1.365 2.745 1.00 0.00 O ATOM 495 CB ILE A 34 -0.389 -1.689 3.897 1.00 0.00 C ATOM 496 CG1 ILE A 34 0.121 -2.545 5.058 1.00 0.00 C ATOM 497 CG2 ILE A 34 0.721 -1.441 2.887 1.00 0.00 C ATOM 498 CD1 ILE A 34 0.771 -3.838 4.616 1.00 0.00 C ATOM 0 H ILE A 34 -1.895 -1.460 5.928 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.138 0.210 4.891 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.193 -2.229 3.398 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.840 -1.966 5.637 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.712 -2.775 5.722 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.104 -2.395 2.526 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.328 -0.867 2.048 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.528 -0.883 3.363 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.109 -4.393 5.491 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.049 -4.438 4.062 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.625 -3.616 3.976 1.00 0.00 H new ATOM 510 N LYS A 35 -2.712 0.096 2.823 1.00 0.00 N ATOM 511 CA LYS A 35 -3.362 0.782 1.712 1.00 0.00 C ATOM 512 C LYS A 35 -3.544 2.265 2.021 1.00 0.00 C ATOM 513 O LYS A 35 -2.977 3.122 1.344 1.00 0.00 O ATOM 514 CB LYS A 35 -4.719 0.142 1.414 1.00 0.00 C ATOM 515 CG LYS A 35 -4.646 -1.357 1.175 1.00 0.00 C ATOM 516 CD LYS A 35 -5.778 -1.835 0.282 1.00 0.00 C ATOM 517 CE LYS A 35 -5.371 -1.835 -1.183 1.00 0.00 C ATOM 518 NZ LYS A 35 -5.703 -0.546 -1.851 1.00 0.00 N ATOM 0 H LYS A 35 -3.261 -0.661 3.230 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.722 0.687 0.834 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.394 0.336 2.248 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.152 0.621 0.536 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.689 -1.607 0.716 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.688 -1.881 2.130 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.076 -2.841 0.578 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.647 -1.192 0.419 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.300 -2.020 -1.262 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.874 -2.652 -1.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.684 -0.675 -2.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.652 -0.238 -1.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.005 0.176 -1.579 1.00 0.00 H new ATOM 532 N GLN A 36 -4.337 2.558 3.046 1.00 0.00 N ATOM 533 CA GLN A 36 -4.592 3.937 3.444 1.00 0.00 C ATOM 534 C GLN A 36 -3.287 4.672 3.730 1.00 0.00 C ATOM 535 O GLN A 36 -3.184 5.880 3.518 1.00 0.00 O ATOM 536 CB GLN A 36 -5.494 3.976 4.679 1.00 0.00 C ATOM 537 CG GLN A 36 -5.922 5.379 5.076 1.00 0.00 C ATOM 538 CD GLN A 36 -7.249 5.399 5.809 1.00 0.00 C ATOM 539 OE1 GLN A 36 -7.293 5.358 7.039 1.00 0.00 O ATOM 540 NE2 GLN A 36 -8.341 5.462 5.056 1.00 0.00 N ATOM 0 H GLN A 36 -4.814 1.859 3.616 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.097 4.439 2.618 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.383 3.374 4.489 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.970 3.515 5.516 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.154 5.823 5.710 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.995 5.999 4.182 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.259 5.494 4.040 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -9.262 5.478 5.494 1.00 0.00 H new ATOM 549 N ILE A 37 -2.293 3.934 4.213 1.00 0.00 N ATOM 550 CA ILE A 37 -0.994 4.516 4.528 1.00 0.00 C ATOM 551 C ILE A 37 -0.288 5.001 3.266 1.00 0.00 C ATOM 552 O ILE A 37 0.236 6.115 3.222 1.00 0.00 O ATOM 553 CB ILE A 37 -0.086 3.507 5.254 1.00 0.00 C ATOM 554 CG1 ILE A 37 -0.638 3.202 6.648 1.00 0.00 C ATOM 555 CG2 ILE A 37 1.335 4.044 5.348 1.00 0.00 C ATOM 556 CD1 ILE A 37 0.067 2.057 7.341 1.00 0.00 C ATOM 0 H ILE A 37 -2.362 2.933 4.395 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.180 5.364 5.187 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.067 2.581 4.680 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.555 4.096 7.266 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.699 2.968 6.566 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.965 3.319 5.864 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.726 4.216 4.345 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.333 4.983 5.902 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.377 1.898 8.324 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.038 1.151 6.744 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.124 2.296 7.455 1.00 0.00 H new ATOM 568 N LEU A 38 -0.280 4.158 2.239 1.00 0.00 N ATOM 569 CA LEU A 38 0.360 4.500 0.973 1.00 0.00 C ATOM 570 C LEU A 38 -0.237 5.777 0.389 1.00 0.00 C ATOM 571 O LEU A 38 0.382 6.437 -0.444 1.00 0.00 O ATOM 572 CB LEU A 38 0.209 3.350 -0.024 1.00 0.00 C ATOM 573 CG LEU A 38 1.013 2.086 0.282 1.00 0.00 C ATOM 574 CD1 LEU A 38 0.538 0.929 -0.583 1.00 0.00 C ATOM 575 CD2 LEU A 38 2.499 2.335 0.074 1.00 0.00 C ATOM 0 H LEU A 38 -0.709 3.233 2.258 1.00 0.00 H new ATOM 0 HA LEU A 38 1.420 4.670 1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.846 3.081 -0.080 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.499 3.711 -1.011 1.00 0.00 H new ATOM 0 HG LEU A 38 0.853 1.821 1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.122 0.038 -0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.516 0.734 -0.384 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.667 1.184 -1.635 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.055 1.424 0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.678 2.626 -0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.830 3.134 0.737 1.00 0.00 H new ATOM 587 N GLU A 39 -1.442 6.118 0.835 1.00 0.00 N ATOM 588 CA GLU A 39 -2.121 7.317 0.356 1.00 0.00 C ATOM 589 C GLU A 39 -1.592 8.561 1.065 1.00 0.00 C ATOM 590 O GLU A 39 -1.825 9.685 0.623 1.00 0.00 O ATOM 591 CB GLU A 39 -3.631 7.195 0.574 1.00 0.00 C ATOM 592 CG GLU A 39 -4.411 8.418 0.121 1.00 0.00 C ATOM 593 CD GLU A 39 -5.894 8.306 0.417 1.00 0.00 C ATOM 594 OE1 GLU A 39 -6.481 7.247 0.112 1.00 0.00 O ATOM 595 OE2 GLU A 39 -6.468 9.277 0.953 1.00 0.00 O ATOM 0 H GLU A 39 -1.967 5.582 1.526 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.922 7.416 -0.711 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.998 6.321 0.037 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.824 7.023 1.633 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.011 9.303 0.616 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.268 8.560 -0.950 1.00 0.00 H new ATOM 602 N ASN A 40 -0.881 8.349 2.167 1.00 0.00 N ATOM 603 CA ASN A 40 -0.320 9.453 2.938 1.00 0.00 C ATOM 604 C ASN A 40 1.111 9.751 2.498 1.00 0.00 C ATOM 605 O ASN A 40 1.714 10.729 2.939 1.00 0.00 O ATOM 606 CB ASN A 40 -0.348 9.125 4.432 1.00 0.00 C ATOM 607 CG ASN A 40 -1.720 9.334 5.044 1.00 0.00 C ATOM 608 OD1 ASN A 40 -2.288 10.423 4.962 1.00 0.00 O ATOM 609 ND2 ASN A 40 -2.258 8.289 5.662 1.00 0.00 N ATOM 0 H ASN A 40 -0.679 7.424 2.546 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.930 10.338 2.756 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.041 8.090 4.580 1.00 0.00 H new ATOM 0 HB3 ASN A 40 0.378 9.750 4.952 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -3.179 8.370 6.093 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -1.751 7.405 5.705 1.00 0.00 H new ATOM 616 N GLU A 41 1.646 8.902 1.628 1.00 0.00 N ATOM 617 CA GLU A 41 3.005 9.075 1.129 1.00 0.00 C ATOM 618 C GLU A 41 3.010 9.258 -0.386 1.00 0.00 C ATOM 619 O GLU A 41 3.800 10.033 -0.926 1.00 0.00 O ATOM 620 CB GLU A 41 3.870 7.871 1.511 1.00 0.00 C ATOM 621 CG GLU A 41 4.067 7.714 3.009 1.00 0.00 C ATOM 622 CD GLU A 41 4.971 8.782 3.594 1.00 0.00 C ATOM 623 OE1 GLU A 41 5.880 9.248 2.875 1.00 0.00 O ATOM 624 OE2 GLU A 41 4.770 9.151 4.769 1.00 0.00 O ATOM 0 H GLU A 41 1.160 8.087 1.254 1.00 0.00 H new ATOM 0 HA GLU A 41 3.421 9.972 1.587 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.411 6.965 1.117 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.845 7.968 1.033 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.097 7.753 3.505 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.492 6.731 3.215 1.00 0.00 H new ATOM 631 N LEU A 42 2.123 8.540 -1.065 1.00 0.00 N ATOM 632 CA LEU A 42 2.024 8.622 -2.519 1.00 0.00 C ATOM 633 C LEU A 42 0.808 9.443 -2.936 1.00 0.00 C ATOM 634 O LEU A 42 0.617 9.730 -4.117 1.00 0.00 O ATOM 635 CB LEU A 42 1.940 7.220 -3.124 1.00 0.00 C ATOM 636 CG LEU A 42 3.067 6.258 -2.749 1.00 0.00 C ATOM 637 CD1 LEU A 42 2.704 4.833 -3.136 1.00 0.00 C ATOM 638 CD2 LEU A 42 4.370 6.678 -3.413 1.00 0.00 C ATOM 0 H LEU A 42 1.462 7.894 -0.633 1.00 0.00 H new ATOM 0 HA LEU A 42 2.920 9.118 -2.893 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.993 6.773 -2.823 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.917 7.315 -4.210 1.00 0.00 H new ATOM 0 HG LEU A 42 3.205 6.295 -1.668 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.518 4.163 -2.861 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.796 4.534 -2.613 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.537 4.779 -4.212 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.161 5.982 -3.135 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.245 6.671 -4.496 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.638 7.682 -3.085 1.00 0.00 H new ATOM 650 N GLN A 43 -0.010 9.818 -1.958 1.00 0.00 N ATOM 651 CA GLN A 43 -1.207 10.607 -2.225 1.00 0.00 C ATOM 652 C GLN A 43 -2.147 9.868 -3.172 1.00 0.00 C ATOM 653 O GLN A 43 -2.933 10.486 -3.890 1.00 0.00 O ATOM 654 CB GLN A 43 -0.827 11.964 -2.820 1.00 0.00 C ATOM 655 CG GLN A 43 -0.115 12.881 -1.839 1.00 0.00 C ATOM 656 CD GLN A 43 1.390 12.709 -1.866 1.00 0.00 C ATOM 657 OE1 GLN A 43 2.076 13.272 -2.719 1.00 0.00 O ATOM 658 NE2 GLN A 43 1.914 11.926 -0.929 1.00 0.00 N ATOM 0 H GLN A 43 0.134 9.589 -0.975 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.725 10.765 -1.279 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -0.185 11.804 -3.687 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.729 12.460 -3.178 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.363 13.917 -2.071 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.481 12.683 -0.832 1.00 0.00 H new ATOM 0 HE21 GLN A 43 1.308 11.479 -0.241 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.922 11.772 -0.898 1.00 0.00 H new ATOM 667 N ILE A 44 -2.060 8.542 -3.168 1.00 0.00 N ATOM 668 CA ILE A 44 -2.903 7.719 -4.027 1.00 0.00 C ATOM 669 C ILE A 44 -4.114 7.192 -3.265 1.00 0.00 C ATOM 670 O ILE A 44 -4.008 6.713 -2.135 1.00 0.00 O ATOM 671 CB ILE A 44 -2.119 6.529 -4.611 1.00 0.00 C ATOM 672 CG1 ILE A 44 -0.888 7.024 -5.371 1.00 0.00 C ATOM 673 CG2 ILE A 44 -3.014 5.702 -5.522 1.00 0.00 C ATOM 674 CD1 ILE A 44 -0.077 5.912 -6.000 1.00 0.00 C ATOM 0 H ILE A 44 -1.415 8.015 -2.580 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.240 8.357 -4.844 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.784 5.895 -3.790 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.207 7.716 -6.151 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.251 7.585 -4.688 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.446 4.865 -5.927 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.862 5.323 -4.952 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.376 6.325 -6.340 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.780 6.337 -6.522 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.272 5.232 -5.223 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.698 5.365 -6.709 1.00 0.00 H new ATOM 686 N PRO A 45 -5.294 7.278 -3.897 1.00 0.00 N ATOM 687 CA PRO A 45 -6.548 6.812 -3.298 1.00 0.00 C ATOM 688 C PRO A 45 -6.608 5.293 -3.187 1.00 0.00 C ATOM 689 O PRO A 45 -6.286 4.577 -4.136 1.00 0.00 O ATOM 690 CB PRO A 45 -7.615 7.320 -4.271 1.00 0.00 C ATOM 691 CG PRO A 45 -6.908 7.448 -5.576 1.00 0.00 C ATOM 692 CD PRO A 45 -5.494 7.837 -5.245 1.00 0.00 C ATOM 0 HA PRO A 45 -6.673 7.176 -2.278 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.451 6.624 -4.340 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.023 8.277 -3.946 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.935 6.509 -6.128 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.383 8.201 -6.205 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.785 7.422 -5.961 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.362 8.919 -5.255 1.00 0.00 H new ATOM 700 N VAL A 46 -7.023 4.805 -2.022 1.00 0.00 N ATOM 701 CA VAL A 46 -7.127 3.370 -1.788 1.00 0.00 C ATOM 702 C VAL A 46 -8.102 2.722 -2.764 1.00 0.00 C ATOM 703 O VAL A 46 -8.128 1.501 -2.914 1.00 0.00 O ATOM 704 CB VAL A 46 -7.583 3.068 -0.348 1.00 0.00 C ATOM 705 CG1 VAL A 46 -7.646 1.566 -0.111 1.00 0.00 C ATOM 706 CG2 VAL A 46 -6.655 3.735 0.655 1.00 0.00 C ATOM 0 H VAL A 46 -7.293 5.383 -1.226 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.132 2.952 -1.942 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.584 3.476 -0.210 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.970 1.372 0.912 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.354 1.117 -0.807 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.659 1.131 -0.267 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.992 3.511 1.667 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.641 3.359 0.519 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.666 4.814 0.499 1.00 0.00 H new ATOM 716 N SER A 47 -8.904 3.550 -3.427 1.00 0.00 N ATOM 717 CA SER A 47 -9.885 3.058 -4.388 1.00 0.00 C ATOM 718 C SER A 47 -9.225 2.754 -5.730 1.00 0.00 C ATOM 719 O SER A 47 -9.757 1.992 -6.538 1.00 0.00 O ATOM 720 CB SER A 47 -11.004 4.084 -4.577 1.00 0.00 C ATOM 721 OG SER A 47 -11.586 4.438 -3.335 1.00 0.00 O ATOM 0 H SER A 47 -8.894 4.564 -3.316 1.00 0.00 H new ATOM 0 HA SER A 47 -10.311 2.135 -3.995 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.606 4.975 -5.063 1.00 0.00 H new ATOM 0 HB3 SER A 47 -11.769 3.675 -5.237 1.00 0.00 H new ATOM 0 HG SER A 47 -12.297 5.096 -3.483 1.00 0.00 H new ATOM 727 N LYS A 48 -8.064 3.356 -5.960 1.00 0.00 N ATOM 728 CA LYS A 48 -7.329 3.151 -7.203 1.00 0.00 C ATOM 729 C LYS A 48 -6.081 2.306 -6.964 1.00 0.00 C ATOM 730 O LYS A 48 -5.293 2.074 -7.880 1.00 0.00 O ATOM 731 CB LYS A 48 -6.936 4.497 -7.815 1.00 0.00 C ATOM 732 CG LYS A 48 -8.111 5.438 -8.020 1.00 0.00 C ATOM 733 CD LYS A 48 -8.709 5.289 -9.409 1.00 0.00 C ATOM 734 CE LYS A 48 -10.032 6.030 -9.528 1.00 0.00 C ATOM 735 NZ LYS A 48 -11.182 5.184 -9.106 1.00 0.00 N ATOM 0 H LYS A 48 -7.611 3.990 -5.302 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.980 2.619 -7.897 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.203 4.980 -7.169 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.449 4.322 -8.775 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.876 5.235 -7.270 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.784 6.467 -7.872 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.008 5.672 -10.151 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.861 4.232 -9.629 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.000 6.931 -8.915 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.177 6.351 -10.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.065 5.725 -9.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.228 4.336 -9.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.057 4.898 -8.114 1.00 0.00 H new ATOM 749 N MET A 49 -5.910 1.848 -5.728 1.00 0.00 N ATOM 750 CA MET A 49 -4.759 1.026 -5.371 1.00 0.00 C ATOM 751 C MET A 49 -5.184 -0.413 -5.094 1.00 0.00 C ATOM 752 O MET A 49 -6.316 -0.668 -4.683 1.00 0.00 O ATOM 753 CB MET A 49 -4.052 1.606 -4.145 1.00 0.00 C ATOM 754 CG MET A 49 -3.703 3.079 -4.285 1.00 0.00 C ATOM 755 SD MET A 49 -3.921 3.994 -2.746 1.00 0.00 S ATOM 756 CE MET A 49 -2.505 3.423 -1.810 1.00 0.00 C ATOM 0 H MET A 49 -6.553 2.032 -4.958 1.00 0.00 H new ATOM 0 HA MET A 49 -4.068 1.026 -6.214 1.00 0.00 H new ATOM 0 HB2 MET A 49 -4.690 1.474 -3.271 1.00 0.00 H new ATOM 0 HB3 MET A 49 -3.139 1.040 -3.961 1.00 0.00 H new ATOM 0 HG2 MET A 49 -2.669 3.173 -4.616 1.00 0.00 H new ATOM 0 HG3 MET A 49 -4.327 3.524 -5.060 1.00 0.00 H new ATOM 0 HE1 MET A 49 -2.116 4.241 -1.204 1.00 0.00 H new ATOM 0 HE2 MET A 49 -2.806 2.601 -1.160 1.00 0.00 H new ATOM 0 HE3 MET A 49 -1.731 3.079 -2.495 1.00 0.00 H new ATOM 766 N LEU A 50 -4.269 -1.349 -5.323 1.00 0.00 N ATOM 767 CA LEU A 50 -4.549 -2.763 -5.098 1.00 0.00 C ATOM 768 C LEU A 50 -3.366 -3.452 -4.427 1.00 0.00 C ATOM 769 O LEU A 50 -2.315 -3.642 -5.040 1.00 0.00 O ATOM 770 CB LEU A 50 -4.873 -3.456 -6.423 1.00 0.00 C ATOM 771 CG LEU A 50 -5.967 -2.805 -7.270 1.00 0.00 C ATOM 772 CD1 LEU A 50 -5.799 -3.177 -8.735 1.00 0.00 C ATOM 773 CD2 LEU A 50 -7.344 -3.214 -6.769 1.00 0.00 C ATOM 0 H LEU A 50 -3.328 -1.154 -5.664 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.412 -2.836 -4.436 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.961 -3.504 -7.018 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.169 -4.483 -6.210 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.876 -1.723 -7.178 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.586 -2.705 -9.323 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.827 -2.834 -9.088 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.864 -4.259 -8.845 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.110 -2.741 -7.384 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.447 -4.297 -6.831 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.463 -2.897 -5.733 1.00 0.00 H new ATOM 785 N LEU A 51 -3.544 -3.826 -3.165 1.00 0.00 N ATOM 786 CA LEU A 51 -2.491 -4.497 -2.410 1.00 0.00 C ATOM 787 C LEU A 51 -2.226 -5.892 -2.968 1.00 0.00 C ATOM 788 O LEU A 51 -3.117 -6.741 -2.997 1.00 0.00 O ATOM 789 CB LEU A 51 -2.877 -4.592 -0.932 1.00 0.00 C ATOM 790 CG LEU A 51 -1.719 -4.578 0.066 1.00 0.00 C ATOM 791 CD1 LEU A 51 -0.678 -5.622 -0.309 1.00 0.00 C ATOM 792 CD2 LEU A 51 -1.088 -3.194 0.133 1.00 0.00 C ATOM 0 H LEU A 51 -4.407 -3.676 -2.643 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.579 -3.908 -2.504 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.543 -3.762 -0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.447 -5.509 -0.784 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.113 -4.824 1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.139 -5.597 0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.136 -6.611 -0.304 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.289 -5.407 -1.304 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.266 -3.203 0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.710 -2.919 -0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.837 -2.468 0.450 1.00 0.00 H new ATOM 804 N LYS A 52 -0.993 -6.123 -3.407 1.00 0.00 N ATOM 805 CA LYS A 52 -0.608 -7.415 -3.961 1.00 0.00 C ATOM 806 C LYS A 52 0.802 -7.797 -3.522 1.00 0.00 C ATOM 807 O LYS A 52 1.543 -6.969 -2.993 1.00 0.00 O ATOM 808 CB LYS A 52 -0.686 -7.382 -5.489 1.00 0.00 C ATOM 809 CG LYS A 52 -2.106 -7.382 -6.026 1.00 0.00 C ATOM 810 CD LYS A 52 -2.157 -7.852 -7.470 1.00 0.00 C ATOM 811 CE LYS A 52 -3.562 -7.742 -8.043 1.00 0.00 C ATOM 812 NZ LYS A 52 -4.457 -8.814 -7.526 1.00 0.00 N ATOM 0 H LYS A 52 -0.243 -5.432 -3.390 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.303 -8.165 -3.584 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.170 -6.493 -5.852 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.155 -8.245 -5.890 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.729 -8.030 -5.409 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.523 -6.377 -5.955 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.470 -7.257 -8.072 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.819 -8.887 -7.529 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.981 -6.767 -7.793 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.516 -7.800 -9.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.405 -8.704 -7.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.071 -9.744 -7.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.521 -8.743 -6.490 1.00 0.00 H new ATOM 826 N GLY A 53 1.167 -9.056 -3.746 1.00 0.00 N ATOM 827 CA GLY A 53 2.488 -9.523 -3.368 1.00 0.00 C ATOM 828 C GLY A 53 2.445 -10.526 -2.232 1.00 0.00 C ATOM 829 O GLY A 53 3.354 -11.342 -2.080 1.00 0.00 O ATOM 0 H GLY A 53 0.572 -9.760 -4.182 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.970 -9.979 -4.233 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.101 -8.671 -3.073 1.00 0.00 H new ATOM 833 N TRP A 54 1.387 -10.465 -1.431 1.00 0.00 N ATOM 834 CA TRP A 54 1.230 -11.374 -0.301 1.00 0.00 C ATOM 835 C TRP A 54 1.770 -12.759 -0.639 1.00 0.00 C ATOM 836 O TRP A 54 1.735 -13.186 -1.793 1.00 0.00 O ATOM 837 CB TRP A 54 -0.242 -11.470 0.102 1.00 0.00 C ATOM 838 CG TRP A 54 -0.831 -10.157 0.520 1.00 0.00 C ATOM 839 CD1 TRP A 54 -1.825 -9.466 -0.112 1.00 0.00 C ATOM 840 CD2 TRP A 54 -0.460 -9.376 1.661 1.00 0.00 C ATOM 841 NE1 TRP A 54 -2.095 -8.303 0.568 1.00 0.00 N ATOM 842 CE2 TRP A 54 -1.272 -8.225 1.660 1.00 0.00 C ATOM 843 CE3 TRP A 54 0.476 -9.539 2.686 1.00 0.00 C ATOM 844 CZ2 TRP A 54 -1.172 -7.243 2.642 1.00 0.00 C ATOM 845 CZ3 TRP A 54 0.574 -8.563 3.660 1.00 0.00 C ATOM 846 CH2 TRP A 54 -0.246 -7.428 3.633 1.00 0.00 C ATOM 0 H TRP A 54 0.625 -9.796 -1.543 1.00 0.00 H new ATOM 0 HA TRP A 54 1.802 -10.976 0.537 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.815 -11.867 -0.736 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.341 -12.182 0.922 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.325 -9.787 -1.014 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.795 -7.610 0.303 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.111 -10.412 2.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.803 -6.366 2.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.295 -8.678 4.456 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.146 -6.684 4.409 1.00 0.00 H new ATOM 912 N VAL A 59 -4.383 -11.665 0.296 1.00 0.00 N ATOM 913 CA VAL A 59 -4.838 -11.342 1.643 1.00 0.00 C ATOM 914 C VAL A 59 -5.942 -10.291 1.612 1.00 0.00 C ATOM 915 O VAL A 59 -5.882 -9.336 0.839 1.00 0.00 O ATOM 916 CB VAL A 59 -3.679 -10.827 2.518 1.00 0.00 C ATOM 917 CG1 VAL A 59 -4.178 -10.476 3.912 1.00 0.00 C ATOM 918 CG2 VAL A 59 -2.565 -11.860 2.586 1.00 0.00 C ATOM 0 HA VAL A 59 -5.229 -12.263 2.075 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.277 -9.922 2.063 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.346 -10.114 4.516 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.940 -9.699 3.841 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.607 -11.363 4.379 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.754 -11.480 3.208 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.951 -12.784 3.017 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.190 -12.057 1.582 1.00 0.00 H new ATOM 928 N GLU A 60 -6.950 -10.475 2.459 1.00 0.00 N ATOM 929 CA GLU A 60 -8.069 -9.542 2.528 1.00 0.00 C ATOM 930 C GLU A 60 -7.847 -8.507 3.627 1.00 0.00 C ATOM 931 O GLU A 60 -7.232 -8.797 4.653 1.00 0.00 O ATOM 932 CB GLU A 60 -9.376 -10.297 2.780 1.00 0.00 C ATOM 933 CG GLU A 60 -9.421 -11.005 4.123 1.00 0.00 C ATOM 934 CD GLU A 60 -10.397 -12.166 4.139 1.00 0.00 C ATOM 935 OE1 GLU A 60 -11.508 -12.015 3.591 1.00 0.00 O ATOM 936 OE2 GLU A 60 -10.047 -13.226 4.698 1.00 0.00 O ATOM 0 H GLU A 60 -7.015 -11.261 3.106 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.136 -9.023 1.572 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.208 -9.595 2.721 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.521 -11.031 1.987 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.424 -11.370 4.371 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.700 -10.290 4.897 1.00 0.00 H new ATOM 943 N ASP A 61 -8.352 -7.299 3.403 1.00 0.00 N ATOM 944 CA ASP A 61 -8.210 -6.219 4.373 1.00 0.00 C ATOM 945 C ASP A 61 -8.752 -6.639 5.736 1.00 0.00 C ATOM 946 O ASP A 61 -8.491 -5.986 6.746 1.00 0.00 O ATOM 947 CB ASP A 61 -8.939 -4.966 3.884 1.00 0.00 C ATOM 948 CG ASP A 61 -9.458 -4.116 5.027 1.00 0.00 C ATOM 949 OD1 ASP A 61 -10.302 -4.614 5.801 1.00 0.00 O ATOM 950 OD2 ASP A 61 -9.020 -2.953 5.147 1.00 0.00 O ATOM 0 H ASP A 61 -8.863 -7.043 2.558 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.149 -5.994 4.477 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.262 -4.371 3.271 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.772 -5.260 3.246 1.00 0.00 H new ATOM 955 N SER A 62 -9.508 -7.731 5.756 1.00 0.00 N ATOM 956 CA SER A 62 -10.091 -8.236 6.994 1.00 0.00 C ATOM 957 C SER A 62 -9.095 -9.114 7.745 1.00 0.00 C ATOM 958 O SER A 62 -9.454 -9.803 8.700 1.00 0.00 O ATOM 959 CB SER A 62 -11.365 -9.028 6.696 1.00 0.00 C ATOM 960 OG SER A 62 -12.185 -9.127 7.848 1.00 0.00 O ATOM 0 H SER A 62 -9.732 -8.284 4.929 1.00 0.00 H new ATOM 0 HA SER A 62 -10.342 -7.382 7.624 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.919 -8.543 5.892 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.103 -10.026 6.345 1.00 0.00 H new ATOM 0 HG SER A 62 -11.636 -9.377 8.620 1.00 0.00 H new ATOM 966 N THR A 63 -7.841 -9.085 7.305 1.00 0.00 N ATOM 967 CA THR A 63 -6.792 -9.879 7.934 1.00 0.00 C ATOM 968 C THR A 63 -5.816 -8.992 8.699 1.00 0.00 C ATOM 969 O THR A 63 -5.660 -7.811 8.389 1.00 0.00 O ATOM 970 CB THR A 63 -6.012 -10.703 6.893 1.00 0.00 C ATOM 971 OG1 THR A 63 -6.921 -11.465 6.090 1.00 0.00 O ATOM 972 CG2 THR A 63 -5.023 -11.638 7.573 1.00 0.00 C ATOM 0 H THR A 63 -7.527 -8.520 6.516 1.00 0.00 H new ATOM 0 HA THR A 63 -7.283 -10.559 8.630 1.00 0.00 H new ATOM 0 HB THR A 63 -5.457 -10.012 6.258 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.417 -11.985 5.429 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.484 -12.209 6.817 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.314 -11.054 8.160 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.561 -12.322 8.230 1.00 0.00 H new ATOM 980 N VAL A 64 -5.159 -9.570 9.699 1.00 0.00 N ATOM 981 CA VAL A 64 -4.195 -8.833 10.508 1.00 0.00 C ATOM 982 C VAL A 64 -2.770 -9.287 10.214 1.00 0.00 C ATOM 983 O VAL A 64 -2.506 -10.479 10.055 1.00 0.00 O ATOM 984 CB VAL A 64 -4.477 -9.005 12.012 1.00 0.00 C ATOM 985 CG1 VAL A 64 -3.463 -8.228 12.838 1.00 0.00 C ATOM 986 CG2 VAL A 64 -5.895 -8.564 12.342 1.00 0.00 C ATOM 0 H VAL A 64 -5.276 -10.547 9.969 1.00 0.00 H new ATOM 0 HA VAL A 64 -4.299 -7.781 10.244 1.00 0.00 H new ATOM 0 HB VAL A 64 -4.382 -10.061 12.263 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.678 -8.362 13.898 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.460 -8.596 12.622 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.523 -7.169 12.586 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -6.077 -8.692 13.409 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.021 -7.514 12.076 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.605 -9.169 11.778 1.00 0.00 H new ATOM 996 N LEU A 65 -1.853 -8.328 10.144 1.00 0.00 N ATOM 997 CA LEU A 65 -0.452 -8.629 9.869 1.00 0.00 C ATOM 998 C LEU A 65 0.041 -9.775 10.746 1.00 0.00 C ATOM 999 O LEU A 65 0.510 -10.798 10.245 1.00 0.00 O ATOM 1000 CB LEU A 65 0.411 -7.387 10.101 1.00 0.00 C ATOM 1001 CG LEU A 65 -0.038 -6.114 9.384 1.00 0.00 C ATOM 1002 CD1 LEU A 65 0.327 -4.884 10.200 1.00 0.00 C ATOM 1003 CD2 LEU A 65 0.579 -6.037 7.995 1.00 0.00 C ATOM 0 H LEU A 65 -2.054 -7.336 10.274 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.369 -8.933 8.826 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.442 -7.185 11.172 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.431 -7.615 9.790 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.122 -6.145 9.277 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.001 -3.988 9.673 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.164 -4.934 11.172 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.407 -4.848 10.340 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.248 -5.124 7.500 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.666 -6.030 8.079 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.266 -6.901 7.409 1.00 0.00 H new ATOM 1015 N LYS A 66 -0.069 -9.599 12.059 1.00 0.00 N ATOM 1016 CA LYS A 66 0.362 -10.620 13.007 1.00 0.00 C ATOM 1017 C LYS A 66 -0.033 -12.012 12.524 1.00 0.00 C ATOM 1018 O LYS A 66 0.694 -12.982 12.738 1.00 0.00 O ATOM 1019 CB LYS A 66 -0.248 -10.354 14.385 1.00 0.00 C ATOM 1020 CG LYS A 66 -1.683 -10.836 14.519 1.00 0.00 C ATOM 1021 CD LYS A 66 -2.450 -10.024 15.549 1.00 0.00 C ATOM 1022 CE LYS A 66 -2.001 -10.352 16.964 1.00 0.00 C ATOM 1023 NZ LYS A 66 -2.480 -11.693 17.401 1.00 0.00 N ATOM 0 H LYS A 66 -0.453 -8.758 12.491 1.00 0.00 H new ATOM 0 HA LYS A 66 1.448 -10.576 13.082 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.363 -10.843 15.144 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.213 -9.284 14.588 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.183 -10.766 13.553 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.689 -11.888 14.805 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.305 -8.961 15.357 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.517 -10.223 15.449 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.913 -10.320 17.016 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.375 -9.592 17.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.333 -11.797 18.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.493 -11.787 17.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.949 -12.432 16.898 1.00 0.00 H new ATOM 1037 N SER A 67 -1.187 -12.102 11.872 1.00 0.00 N ATOM 1038 CA SER A 67 -1.679 -13.376 11.361 1.00 0.00 C ATOM 1039 C SER A 67 -0.700 -13.972 10.354 1.00 0.00 C ATOM 1040 O SER A 67 -0.433 -15.175 10.367 1.00 0.00 O ATOM 1041 CB SER A 67 -3.051 -13.193 10.709 1.00 0.00 C ATOM 1042 OG SER A 67 -3.830 -14.372 10.820 1.00 0.00 O ATOM 0 H SER A 67 -1.799 -11.308 11.685 1.00 0.00 H new ATOM 0 HA SER A 67 -1.773 -14.064 12.201 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.574 -12.362 11.182 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.926 -12.934 9.658 1.00 0.00 H new ATOM 0 HG SER A 67 -4.702 -14.229 10.397 1.00 0.00 H new ATOM 1048 N LEU A 68 -0.168 -13.123 9.482 1.00 0.00 N ATOM 1049 CA LEU A 68 0.782 -13.564 8.467 1.00 0.00 C ATOM 1050 C LEU A 68 2.212 -13.501 8.995 1.00 0.00 C ATOM 1051 O LEU A 68 3.124 -14.097 8.421 1.00 0.00 O ATOM 1052 CB LEU A 68 0.653 -12.701 7.210 1.00 0.00 C ATOM 1053 CG LEU A 68 -0.632 -12.883 6.401 1.00 0.00 C ATOM 1054 CD1 LEU A 68 -0.767 -11.783 5.359 1.00 0.00 C ATOM 1055 CD2 LEU A 68 -0.656 -14.253 5.739 1.00 0.00 C ATOM 0 H LEU A 68 -0.378 -12.125 9.457 1.00 0.00 H new ATOM 0 HA LEU A 68 0.552 -14.599 8.215 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.729 -11.654 7.503 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.502 -12.913 6.559 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.480 -12.816 7.082 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.687 -11.929 4.793 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.796 -10.813 5.856 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.086 -11.818 4.681 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.578 -14.365 5.168 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.199 -14.349 5.070 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.607 -15.028 6.504 1.00 0.00 H new ATOM 1067 N HIS A 69 2.400 -12.776 10.093 1.00 0.00 N ATOM 1068 CA HIS A 69 3.719 -12.638 10.701 1.00 0.00 C ATOM 1069 C HIS A 69 4.784 -12.389 9.638 1.00 0.00 C ATOM 1070 O HIS A 69 5.775 -13.115 9.555 1.00 0.00 O ATOM 1071 CB HIS A 69 4.067 -13.892 11.504 1.00 0.00 C ATOM 1072 CG HIS A 69 3.223 -14.073 12.728 1.00 0.00 C ATOM 1073 ND1 HIS A 69 3.300 -13.243 13.826 1.00 0.00 N ATOM 1074 CD2 HIS A 69 2.277 -14.996 13.022 1.00 0.00 C ATOM 1075 CE1 HIS A 69 2.440 -13.648 14.743 1.00 0.00 C ATOM 1076 NE2 HIS A 69 1.807 -14.710 14.280 1.00 0.00 N ATOM 0 H HIS A 69 1.657 -12.275 10.580 1.00 0.00 H new ATOM 0 HA HIS A 69 3.694 -11.780 11.373 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.955 -14.767 10.863 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.115 -13.845 11.799 1.00 0.00 H new ATOM 0 HD2 HIS A 69 1.953 -15.806 12.386 1.00 0.00 H new ATOM 0 HE1 HIS A 69 2.282 -13.189 15.707 1.00 0.00 H new ATOM 0 HE2 HIS A 69 1.086 -15.233 14.776 1.00 0.00 H new ATOM 1085 N LEU A 70 4.572 -11.359 8.826 1.00 0.00 N ATOM 1086 CA LEU A 70 5.514 -11.013 7.767 1.00 0.00 C ATOM 1087 C LEU A 70 6.935 -10.914 8.312 1.00 0.00 C ATOM 1088 O LEU A 70 7.156 -10.592 9.480 1.00 0.00 O ATOM 1089 CB LEU A 70 5.113 -9.690 7.112 1.00 0.00 C ATOM 1090 CG LEU A 70 3.876 -9.734 6.214 1.00 0.00 C ATOM 1091 CD1 LEU A 70 4.111 -10.654 5.026 1.00 0.00 C ATOM 1092 CD2 LEU A 70 2.657 -10.184 7.006 1.00 0.00 C ATOM 0 H LEU A 70 3.756 -10.749 8.881 1.00 0.00 H new ATOM 0 HA LEU A 70 5.487 -11.805 7.018 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.940 -8.956 7.899 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.955 -9.331 6.520 1.00 0.00 H new ATOM 0 HG LEU A 70 3.689 -8.728 5.837 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.220 -10.673 4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.957 -10.288 4.444 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.325 -11.662 5.383 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.786 -10.209 6.351 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.834 -11.180 7.412 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.476 -9.486 7.823 1.00 0.00 H new ATOM 1104 N PRO A 71 7.922 -11.193 7.448 1.00 0.00 N ATOM 1105 CA PRO A 71 9.339 -11.139 7.820 1.00 0.00 C ATOM 1106 C PRO A 71 9.820 -9.712 8.061 1.00 0.00 C ATOM 1107 O PRO A 71 9.336 -8.768 7.437 1.00 0.00 O ATOM 1108 CB PRO A 71 10.047 -11.745 6.606 1.00 0.00 C ATOM 1109 CG PRO A 71 9.118 -11.507 5.467 1.00 0.00 C ATOM 1110 CD PRO A 71 7.730 -11.583 6.041 1.00 0.00 C ATOM 0 HA PRO A 71 9.537 -11.667 8.753 1.00 0.00 H new ATOM 0 HB2 PRO A 71 11.013 -11.271 6.434 1.00 0.00 H new ATOM 0 HB3 PRO A 71 10.235 -12.809 6.748 1.00 0.00 H new ATOM 0 HG2 PRO A 71 9.299 -10.533 5.013 1.00 0.00 H new ATOM 0 HG3 PRO A 71 9.259 -12.254 4.686 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.045 -10.909 5.527 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.314 -12.587 5.955 1.00 0.00 H new ATOM 1118 N LYS A 72 10.778 -9.562 8.969 1.00 0.00 N ATOM 1119 CA LYS A 72 11.328 -8.250 9.292 1.00 0.00 C ATOM 1120 C LYS A 72 11.371 -7.359 8.055 1.00 0.00 C ATOM 1121 O LYS A 72 10.957 -6.201 8.099 1.00 0.00 O ATOM 1122 CB LYS A 72 12.734 -8.394 9.879 1.00 0.00 C ATOM 1123 CG LYS A 72 13.276 -7.110 10.482 1.00 0.00 C ATOM 1124 CD LYS A 72 12.692 -6.853 11.861 1.00 0.00 C ATOM 1125 CE LYS A 72 13.442 -7.624 12.937 1.00 0.00 C ATOM 1126 NZ LYS A 72 13.170 -7.084 14.298 1.00 0.00 N ATOM 0 H LYS A 72 11.190 -10.333 9.495 1.00 0.00 H new ATOM 0 HA LYS A 72 10.678 -7.783 10.032 1.00 0.00 H new ATOM 0 HB2 LYS A 72 12.721 -9.168 10.646 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.413 -8.732 9.096 1.00 0.00 H new ATOM 0 HG2 LYS A 72 14.362 -7.169 10.551 1.00 0.00 H new ATOM 0 HG3 LYS A 72 13.044 -6.272 9.825 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.732 -5.786 12.081 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.641 -7.141 11.871 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.154 -8.674 12.899 1.00 0.00 H new ATOM 0 HE3 LYS A 72 14.512 -7.580 12.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.699 -7.636 15.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 13.469 -6.089 14.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 12.152 -7.149 14.500 1.00 0.00 H new ATOM 1140 N ASN A 73 11.873 -7.907 6.953 1.00 0.00 N ATOM 1141 CA ASN A 73 11.968 -7.161 5.704 1.00 0.00 C ATOM 1142 C ASN A 73 10.782 -7.468 4.795 1.00 0.00 C ATOM 1143 O ASN A 73 10.714 -8.533 4.184 1.00 0.00 O ATOM 1144 CB ASN A 73 13.276 -7.496 4.984 1.00 0.00 C ATOM 1145 CG ASN A 73 14.491 -7.300 5.871 1.00 0.00 C ATOM 1146 OD1 ASN A 73 14.637 -6.265 6.521 1.00 0.00 O ATOM 1147 ND2 ASN A 73 15.369 -8.295 5.900 1.00 0.00 N ATOM 0 H ASN A 73 12.220 -8.865 6.900 1.00 0.00 H new ATOM 0 HA ASN A 73 11.954 -6.098 5.943 1.00 0.00 H new ATOM 0 HB2 ASN A 73 13.244 -8.530 4.640 1.00 0.00 H new ATOM 0 HB3 ASN A 73 13.371 -6.868 4.098 1.00 0.00 H new ATOM 0 HD21 ASN A 73 16.206 -8.220 6.478 1.00 0.00 H new ATOM 0 HD22 ASN A 73 15.207 -9.135 5.344 1.00 0.00 H new ATOM 1154 N ASN A 74 9.849 -6.525 4.711 1.00 0.00 N ATOM 1155 CA ASN A 74 8.664 -6.694 3.877 1.00 0.00 C ATOM 1156 C ASN A 74 8.873 -6.066 2.503 1.00 0.00 C ATOM 1157 O ASN A 74 9.566 -5.058 2.368 1.00 0.00 O ATOM 1158 CB ASN A 74 7.443 -6.069 4.556 1.00 0.00 C ATOM 1159 CG ASN A 74 6.704 -7.056 5.439 1.00 0.00 C ATOM 1160 OD1 ASN A 74 5.828 -7.786 4.974 1.00 0.00 O ATOM 1161 ND2 ASN A 74 7.056 -7.083 6.719 1.00 0.00 N ATOM 0 H ASN A 74 9.890 -5.636 5.210 1.00 0.00 H new ATOM 0 HA ASN A 74 8.491 -7.762 3.746 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.761 -5.216 5.156 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.763 -5.687 3.795 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.595 -7.727 7.361 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.788 -6.459 7.060 1.00 0.00 H new ATOM 1168 N SER A 75 8.268 -6.670 1.484 1.00 0.00 N ATOM 1169 CA SER A 75 8.390 -6.172 0.119 1.00 0.00 C ATOM 1170 C SER A 75 7.070 -6.319 -0.632 1.00 0.00 C ATOM 1171 O SER A 75 6.650 -7.429 -0.962 1.00 0.00 O ATOM 1172 CB SER A 75 9.498 -6.921 -0.623 1.00 0.00 C ATOM 1173 OG SER A 75 9.198 -8.302 -0.727 1.00 0.00 O ATOM 0 H SER A 75 7.689 -7.504 1.578 1.00 0.00 H new ATOM 0 HA SER A 75 8.646 -5.114 0.166 1.00 0.00 H new ATOM 0 HB2 SER A 75 9.624 -6.497 -1.619 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.444 -6.790 -0.099 1.00 0.00 H new ATOM 0 HG SER A 75 8.226 -8.424 -0.757 1.00 0.00 H new ATOM 1179 N LEU A 76 6.421 -5.191 -0.900 1.00 0.00 N ATOM 1180 CA LEU A 76 5.148 -5.192 -1.613 1.00 0.00 C ATOM 1181 C LEU A 76 5.219 -4.312 -2.857 1.00 0.00 C ATOM 1182 O LEU A 76 6.254 -3.709 -3.144 1.00 0.00 O ATOM 1183 CB LEU A 76 4.026 -4.707 -0.694 1.00 0.00 C ATOM 1184 CG LEU A 76 3.701 -5.605 0.500 1.00 0.00 C ATOM 1185 CD1 LEU A 76 2.806 -4.874 1.489 1.00 0.00 C ATOM 1186 CD2 LEU A 76 3.042 -6.895 0.034 1.00 0.00 C ATOM 0 H LEU A 76 6.755 -4.265 -0.635 1.00 0.00 H new ATOM 0 HA LEU A 76 4.936 -6.214 -1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.293 -3.719 -0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.121 -4.588 -1.290 1.00 0.00 H new ATOM 0 HG LEU A 76 4.634 -5.859 1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.585 -5.528 2.332 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.315 -3.979 1.848 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.876 -4.590 0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.818 -7.522 0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.118 -6.661 -0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.718 -7.428 -0.635 1.00 0.00 H new ATOM 1198 N TYR A 77 4.113 -4.240 -3.589 1.00 0.00 N ATOM 1199 CA TYR A 77 4.050 -3.432 -4.801 1.00 0.00 C ATOM 1200 C TYR A 77 2.613 -3.021 -5.108 1.00 0.00 C ATOM 1201 O TYR A 77 1.686 -3.820 -4.979 1.00 0.00 O ATOM 1202 CB TYR A 77 4.635 -4.205 -5.984 1.00 0.00 C ATOM 1203 CG TYR A 77 4.061 -5.595 -6.143 1.00 0.00 C ATOM 1204 CD1 TYR A 77 4.525 -6.652 -5.370 1.00 0.00 C ATOM 1205 CD2 TYR A 77 3.056 -5.852 -7.067 1.00 0.00 C ATOM 1206 CE1 TYR A 77 4.004 -7.924 -5.511 1.00 0.00 C ATOM 1207 CE2 TYR A 77 2.528 -7.120 -7.215 1.00 0.00 C ATOM 1208 CZ TYR A 77 3.005 -8.152 -6.435 1.00 0.00 C ATOM 1209 OH TYR A 77 2.483 -9.417 -6.580 1.00 0.00 O ATOM 0 H TYR A 77 3.248 -4.731 -3.364 1.00 0.00 H new ATOM 0 HA TYR A 77 4.639 -2.530 -4.637 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.457 -3.641 -6.899 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.715 -4.279 -5.860 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.307 -6.476 -4.646 1.00 0.00 H new ATOM 0 HD2 TYR A 77 2.681 -5.046 -7.681 1.00 0.00 H new ATOM 0 HE1 TYR A 77 4.376 -8.734 -4.902 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.746 -7.302 -7.937 1.00 0.00 H new ATOM 0 HH TYR A 77 1.788 -9.407 -7.271 1.00 0.00 H new ATOM 1219 N VAL A 78 2.437 -1.768 -5.515 1.00 0.00 N ATOM 1220 CA VAL A 78 1.115 -1.249 -5.843 1.00 0.00 C ATOM 1221 C VAL A 78 0.867 -1.286 -7.347 1.00 0.00 C ATOM 1222 O VAL A 78 1.773 -1.036 -8.143 1.00 0.00 O ATOM 1223 CB VAL A 78 0.938 0.196 -5.340 1.00 0.00 C ATOM 1224 CG1 VAL A 78 -0.339 0.804 -5.898 1.00 0.00 C ATOM 1225 CG2 VAL A 78 0.935 0.233 -3.819 1.00 0.00 C ATOM 0 H VAL A 78 3.194 -1.093 -5.625 1.00 0.00 H new ATOM 0 HA VAL A 78 0.390 -1.891 -5.342 1.00 0.00 H new ATOM 0 HB VAL A 78 1.780 0.791 -5.694 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.446 1.825 -5.531 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.292 0.813 -6.987 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.195 0.211 -5.576 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.809 1.261 -3.480 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.114 -0.376 -3.442 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.880 -0.159 -3.444 1.00 0.00 H new ATOM 1235 N LEU A 79 -0.366 -1.598 -7.730 1.00 0.00 N ATOM 1236 CA LEU A 79 -0.735 -1.667 -9.140 1.00 0.00 C ATOM 1237 C LEU A 79 -2.033 -0.911 -9.400 1.00 0.00 C ATOM 1238 O LEU A 79 -3.110 -1.340 -8.983 1.00 0.00 O ATOM 1239 CB LEU A 79 -0.884 -3.125 -9.577 1.00 0.00 C ATOM 1240 CG LEU A 79 0.302 -4.042 -9.273 1.00 0.00 C ATOM 1241 CD1 LEU A 79 -0.142 -5.496 -9.241 1.00 0.00 C ATOM 1242 CD2 LEU A 79 1.407 -3.843 -10.301 1.00 0.00 C ATOM 0 H LEU A 79 -1.127 -1.807 -7.084 1.00 0.00 H new ATOM 0 HA LEU A 79 0.059 -1.199 -9.722 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.770 -3.539 -9.096 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.066 -3.144 -10.651 1.00 0.00 H new ATOM 0 HG LEU A 79 0.695 -3.782 -8.290 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.715 -6.133 -9.023 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.898 -5.628 -8.468 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.561 -5.770 -10.209 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.243 -4.503 -10.069 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.025 -4.076 -11.295 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.745 -2.807 -10.276 1.00 0.00 H new ATOM 1254 N THR A 80 -1.926 0.217 -10.096 1.00 0.00 N ATOM 1255 CA THR A 80 -3.091 1.033 -10.414 1.00 0.00 C ATOM 1256 C THR A 80 -3.509 0.850 -11.868 1.00 0.00 C ATOM 1257 O THR A 80 -2.992 1.503 -12.775 1.00 0.00 O ATOM 1258 CB THR A 80 -2.818 2.527 -10.154 1.00 0.00 C ATOM 1259 OG1 THR A 80 -1.810 3.004 -11.051 1.00 0.00 O ATOM 1260 CG2 THR A 80 -2.374 2.753 -8.716 1.00 0.00 C ATOM 0 H THR A 80 -1.044 0.586 -10.450 1.00 0.00 H new ATOM 0 HA THR A 80 -3.898 0.700 -9.762 1.00 0.00 H new ATOM 0 HB THR A 80 -3.743 3.078 -10.323 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.892 2.541 -11.911 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.187 3.815 -8.556 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.156 2.416 -8.036 1.00 0.00 H new ATOM 0 HG23 THR A 80 -1.460 2.191 -8.525 1.00 0.00 H new ATOM 1268 N PRO A 81 -4.469 -0.058 -12.099 1.00 0.00 N ATOM 1269 CA PRO A 81 -4.980 -0.346 -13.442 1.00 0.00 C ATOM 1270 C PRO A 81 -5.798 0.808 -14.011 1.00 0.00 C ATOM 1271 O PRO A 81 -5.601 1.215 -15.156 1.00 0.00 O ATOM 1272 CB PRO A 81 -5.866 -1.576 -13.228 1.00 0.00 C ATOM 1273 CG PRO A 81 -6.283 -1.498 -11.800 1.00 0.00 C ATOM 1274 CD PRO A 81 -5.131 -0.872 -11.065 1.00 0.00 C ATOM 0 HA PRO A 81 -4.175 -0.504 -14.159 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.729 -1.563 -13.894 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.320 -2.497 -13.431 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -7.187 -0.900 -11.690 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.506 -2.489 -11.404 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.472 -0.261 -10.229 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -4.459 -1.626 -10.655 1.00 0.00 H new ATOM 1282 N ASP A 82 -6.716 1.330 -13.205 1.00 0.00 N ATOM 1283 CA ASP A 82 -7.564 2.439 -13.629 1.00 0.00 C ATOM 1284 C ASP A 82 -6.787 3.751 -13.619 1.00 0.00 C ATOM 1285 O ASP A 82 -6.606 4.387 -14.659 1.00 0.00 O ATOM 1286 CB ASP A 82 -8.788 2.549 -12.719 1.00 0.00 C ATOM 1287 CG ASP A 82 -9.940 3.275 -13.384 1.00 0.00 C ATOM 1288 OD1 ASP A 82 -10.238 2.967 -14.557 1.00 0.00 O ATOM 1289 OD2 ASP A 82 -10.544 4.152 -12.732 1.00 0.00 O ATOM 0 H ASP A 82 -6.892 1.004 -12.255 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.896 2.242 -14.648 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.112 1.550 -12.428 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.511 3.073 -11.804 1.00 0.00 H new ATOM 1294 N LEU A 83 -6.329 4.153 -12.438 1.00 0.00 N ATOM 1295 CA LEU A 83 -5.572 5.391 -12.292 1.00 0.00 C ATOM 1296 C LEU A 83 -4.673 5.626 -13.501 1.00 0.00 C ATOM 1297 O LEU A 83 -3.979 4.725 -13.974 1.00 0.00 O ATOM 1298 CB LEU A 83 -4.729 5.349 -11.016 1.00 0.00 C ATOM 1299 CG LEU A 83 -4.456 6.696 -10.347 1.00 0.00 C ATOM 1300 CD1 LEU A 83 -5.740 7.281 -9.780 1.00 0.00 C ATOM 1301 CD2 LEU A 83 -3.408 6.546 -9.253 1.00 0.00 C ATOM 0 H LEU A 83 -6.469 3.639 -11.568 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.282 6.216 -12.225 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -5.230 4.703 -10.295 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -3.772 4.883 -11.252 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.070 7.382 -11.101 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.526 8.240 -9.308 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.460 7.426 -10.585 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.156 6.597 -9.040 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.226 7.515 -8.788 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.766 5.843 -8.500 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.480 6.172 -9.687 1.00 0.00 H new