USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 625 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 14 THR OG1 : rot 100:sc= -0.453! USER MOD Set 1.2: A 67 GLN : amide:sc= -5.28! K(o=-5.7!,f=0.96) USER MOD Single : A 5 THR OG1 : rot -170:sc= -0.328 USER MOD Single : A 6 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.00291) USER MOD Single : A 7 TYR OH : rot 180:sc= -0.151 USER MOD Single : A 9 TYR OH : rot 180:sc= -0.0728 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -1.44 K(o=-1.4,f=-0.55) USER MOD Single : A 22 SER OG : rot -150:sc= 0.223 USER MOD Single : A 29 TYR OH : rot -162:sc= -0.145 USER MOD Single : A 31 LYS NZ :NH3+ -162:sc= -0.617 (180deg=-1.47!) USER MOD Single : A 32 ASN : amide:sc= -0.639 X(o=-0.64,f=-1.1) USER MOD Single : A 34 SER OG : rot -10:sc= 0.227 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= -0.052 (180deg=-0.052) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.44 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 158:sc=-0.00599 (180deg=-0.0933) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0592) USER MOD ----------------------------------------------------------------- ATOM 43 N VAL A 4 -11.346 -0.543 -19.651 1.00 0.00 N ATOM 44 CA VAL A 4 -11.200 -0.402 -18.175 1.00 0.00 C ATOM 45 C VAL A 4 -10.647 0.987 -17.848 1.00 0.00 C ATOM 46 O VAL A 4 -10.399 1.790 -18.726 1.00 0.00 O ATOM 47 CB VAL A 4 -10.236 -1.470 -17.654 1.00 0.00 C ATOM 48 CG1 VAL A 4 -10.884 -2.851 -17.785 1.00 0.00 C ATOM 49 CG2 VAL A 4 -8.945 -1.433 -18.473 1.00 0.00 C ATOM 0 HA VAL A 4 -12.173 -0.527 -17.700 1.00 0.00 H new ATOM 0 HB VAL A 4 -10.008 -1.274 -16.606 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -10.197 -3.612 -17.414 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -11.805 -2.878 -17.202 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -11.112 -3.048 -18.833 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -8.257 -2.193 -18.103 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -9.173 -1.629 -19.521 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -8.483 -0.450 -18.380 1.00 0.00 H new ATOM 59 N THR A 5 -10.453 1.277 -16.590 1.00 0.00 N ATOM 60 CA THR A 5 -9.917 2.615 -16.208 1.00 0.00 C ATOM 61 C THR A 5 -8.626 2.437 -15.408 1.00 0.00 C ATOM 62 O THR A 5 -8.563 1.656 -14.478 1.00 0.00 O ATOM 63 CB THR A 5 -10.951 3.353 -15.353 1.00 0.00 C ATOM 64 OG1 THR A 5 -12.252 3.094 -15.860 1.00 0.00 O ATOM 65 CG2 THR A 5 -10.672 4.855 -15.398 1.00 0.00 C ATOM 0 H THR A 5 -10.642 0.646 -15.811 1.00 0.00 H new ATOM 0 HA THR A 5 -9.709 3.195 -17.108 1.00 0.00 H new ATOM 0 HB THR A 5 -10.887 3.005 -14.322 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.898 3.684 -15.419 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.408 5.380 -14.789 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.673 5.051 -15.009 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.736 5.206 -16.428 1.00 0.00 H new ATOM 73 N LYS A 6 -7.595 3.155 -15.760 1.00 0.00 N ATOM 74 CA LYS A 6 -6.309 3.027 -15.019 1.00 0.00 C ATOM 75 C LYS A 6 -6.106 4.258 -14.133 1.00 0.00 C ATOM 76 O LYS A 6 -6.253 5.381 -14.572 1.00 0.00 O ATOM 77 CB LYS A 6 -5.153 2.920 -16.017 1.00 0.00 C ATOM 78 CG LYS A 6 -5.404 1.745 -16.963 1.00 0.00 C ATOM 79 CD LYS A 6 -4.191 1.557 -17.877 1.00 0.00 C ATOM 80 CE LYS A 6 -4.481 2.175 -19.245 1.00 0.00 C ATOM 81 NZ LYS A 6 -5.331 1.244 -20.040 1.00 0.00 N ATOM 0 H LYS A 6 -7.588 3.825 -16.529 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.336 2.132 -14.397 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.062 3.846 -16.585 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -4.212 2.779 -15.486 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.585 0.836 -16.390 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.297 1.929 -17.560 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.312 2.026 -17.434 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.966 0.496 -17.986 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.987 3.133 -19.123 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.548 2.372 -19.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.737 1.752 -20.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.751 0.452 -20.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.099 0.878 -19.441 1.00 0.00 H new ATOM 95 N TYR A 7 -5.771 4.056 -12.888 1.00 0.00 N ATOM 96 CA TYR A 7 -5.559 5.215 -11.976 1.00 0.00 C ATOM 97 C TYR A 7 -4.066 5.534 -11.891 1.00 0.00 C ATOM 98 O TYR A 7 -3.260 4.693 -11.545 1.00 0.00 O ATOM 99 CB TYR A 7 -6.085 4.870 -10.581 1.00 0.00 C ATOM 100 CG TYR A 7 -7.523 5.313 -10.461 1.00 0.00 C ATOM 101 CD1 TYR A 7 -8.479 4.846 -11.370 1.00 0.00 C ATOM 102 CD2 TYR A 7 -7.902 6.192 -9.439 1.00 0.00 C ATOM 103 CE1 TYR A 7 -9.813 5.257 -11.259 1.00 0.00 C ATOM 104 CE2 TYR A 7 -9.235 6.604 -9.327 1.00 0.00 C ATOM 105 CZ TYR A 7 -10.191 6.136 -10.237 1.00 0.00 C ATOM 106 OH TYR A 7 -11.505 6.542 -10.127 1.00 0.00 O ATOM 0 H TYR A 7 -5.635 3.139 -12.463 1.00 0.00 H new ATOM 0 HA TYR A 7 -6.094 6.082 -12.363 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -6.008 3.797 -10.407 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.478 5.360 -9.820 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -8.188 4.168 -12.158 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -7.165 6.552 -8.737 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -10.550 4.896 -11.961 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -9.526 7.283 -8.539 1.00 0.00 H new ATOM 0 HH TYR A 7 -11.597 7.150 -9.364 1.00 0.00 H new ATOM 116 N PHE A 8 -3.689 6.743 -12.205 1.00 0.00 N ATOM 117 CA PHE A 8 -2.246 7.114 -12.141 1.00 0.00 C ATOM 118 C PHE A 8 -1.918 7.641 -10.742 1.00 0.00 C ATOM 119 O PHE A 8 -2.753 8.216 -10.074 1.00 0.00 O ATOM 120 CB PHE A 8 -1.953 8.202 -13.177 1.00 0.00 C ATOM 121 CG PHE A 8 -1.586 7.558 -14.492 1.00 0.00 C ATOM 122 CD1 PHE A 8 -2.312 6.455 -14.959 1.00 0.00 C ATOM 123 CD2 PHE A 8 -0.522 8.065 -15.247 1.00 0.00 C ATOM 124 CE1 PHE A 8 -1.972 5.858 -16.179 1.00 0.00 C ATOM 125 CE2 PHE A 8 -0.181 7.469 -16.467 1.00 0.00 C ATOM 126 CZ PHE A 8 -0.907 6.365 -16.933 1.00 0.00 C ATOM 0 H PHE A 8 -4.317 7.490 -12.503 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.635 6.237 -12.352 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.826 8.842 -13.304 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.138 8.838 -12.831 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.134 6.065 -14.378 1.00 0.00 H new ATOM 0 HD2 PHE A 8 0.036 8.917 -14.888 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -2.531 5.007 -16.538 1.00 0.00 H new ATOM 0 HE2 PHE A 8 0.641 7.860 -17.048 1.00 0.00 H new ATOM 0 HZ PHE A 8 -0.645 5.905 -17.874 1.00 0.00 H new ATOM 136 N TYR A 9 -0.708 7.449 -10.294 1.00 0.00 N ATOM 137 CA TYR A 9 -0.330 7.939 -8.939 1.00 0.00 C ATOM 138 C TYR A 9 1.125 8.412 -8.954 1.00 0.00 C ATOM 139 O TYR A 9 2.033 7.651 -9.222 1.00 0.00 O ATOM 140 CB TYR A 9 -0.485 6.803 -7.924 1.00 0.00 C ATOM 141 CG TYR A 9 0.043 7.251 -6.583 1.00 0.00 C ATOM 142 CD1 TYR A 9 1.420 7.221 -6.328 1.00 0.00 C ATOM 143 CD2 TYR A 9 -0.841 7.695 -5.594 1.00 0.00 C ATOM 144 CE1 TYR A 9 1.910 7.636 -5.085 1.00 0.00 C ATOM 145 CE2 TYR A 9 -0.351 8.110 -4.351 1.00 0.00 C ATOM 146 CZ TYR A 9 1.025 8.081 -4.095 1.00 0.00 C ATOM 147 OH TYR A 9 1.509 8.490 -2.869 1.00 0.00 O ATOM 0 H TYR A 9 0.035 6.974 -10.807 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.979 8.769 -8.660 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.534 6.519 -7.837 1.00 0.00 H new ATOM 0 HB3 TYR A 9 0.057 5.921 -8.264 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.103 6.878 -7.091 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -1.903 7.717 -5.790 1.00 0.00 H new ATOM 0 HE1 TYR A 9 2.972 7.613 -4.889 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -1.035 8.453 -3.589 1.00 0.00 H new ATOM 0 HH TYR A 9 0.762 8.768 -2.299 1.00 0.00 H new ATOM 157 N LYS A 10 1.354 9.665 -8.668 1.00 0.00 N ATOM 158 CA LYS A 10 2.750 10.186 -8.665 1.00 0.00 C ATOM 159 C LYS A 10 3.307 10.138 -7.241 1.00 0.00 C ATOM 160 O LYS A 10 2.663 10.551 -6.298 1.00 0.00 O ATOM 161 CB LYS A 10 2.756 11.632 -9.168 1.00 0.00 C ATOM 162 CG LYS A 10 4.198 12.084 -9.406 1.00 0.00 C ATOM 163 CD LYS A 10 4.197 13.416 -10.160 1.00 0.00 C ATOM 164 CE LYS A 10 5.616 13.734 -10.635 1.00 0.00 C ATOM 165 NZ LYS A 10 5.723 15.189 -10.935 1.00 0.00 N ATOM 0 H LYS A 10 0.635 10.350 -8.436 1.00 0.00 H new ATOM 0 HA LYS A 10 3.370 9.572 -9.319 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.182 11.709 -10.092 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.275 12.284 -8.439 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.718 12.193 -8.454 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.737 11.330 -9.979 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.520 13.363 -11.013 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.832 14.213 -9.512 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.339 13.455 -9.868 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.853 13.150 -11.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.687 15.407 -11.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.043 15.441 -11.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.514 15.737 -10.076 1.00 0.00 H new ATOM 179 N GLY A 11 4.501 9.638 -7.078 1.00 0.00 N ATOM 180 CA GLY A 11 5.099 9.565 -5.715 1.00 0.00 C ATOM 181 C GLY A 11 6.238 10.579 -5.599 1.00 0.00 C ATOM 182 O GLY A 11 6.265 11.578 -6.289 1.00 0.00 O ATOM 0 H GLY A 11 5.088 9.277 -7.830 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.338 9.770 -4.962 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.473 8.559 -5.525 1.00 0.00 H new ATOM 186 N GLU A 12 7.180 10.329 -4.731 1.00 0.00 N ATOM 187 CA GLU A 12 8.317 11.279 -4.571 1.00 0.00 C ATOM 188 C GLU A 12 8.794 11.741 -5.950 1.00 0.00 C ATOM 189 O GLU A 12 8.423 12.796 -6.425 1.00 0.00 O ATOM 190 CB GLU A 12 9.467 10.580 -3.841 1.00 0.00 C ATOM 191 CG GLU A 12 10.611 11.571 -3.626 1.00 0.00 C ATOM 192 CD GLU A 12 10.532 12.143 -2.209 1.00 0.00 C ATOM 193 OE1 GLU A 12 9.696 13.002 -1.985 1.00 0.00 O ATOM 194 OE2 GLU A 12 11.310 11.712 -1.373 1.00 0.00 O ATOM 0 H GLU A 12 7.211 9.508 -4.126 1.00 0.00 H new ATOM 0 HA GLU A 12 7.990 12.142 -3.992 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.122 10.193 -2.882 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.815 9.726 -4.422 1.00 0.00 H new ATOM 0 HG2 GLU A 12 11.570 11.074 -3.776 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.551 12.376 -4.358 1.00 0.00 H new ATOM 201 N ASN A 13 9.616 10.959 -6.596 1.00 0.00 N ATOM 202 CA ASN A 13 10.116 11.354 -7.943 1.00 0.00 C ATOM 203 C ASN A 13 9.655 10.328 -8.980 1.00 0.00 C ATOM 204 O ASN A 13 9.369 10.662 -10.113 1.00 0.00 O ATOM 205 CB ASN A 13 11.644 11.408 -7.923 1.00 0.00 C ATOM 206 CG ASN A 13 12.115 12.109 -6.647 1.00 0.00 C ATOM 207 OD1 ASN A 13 11.863 13.282 -6.456 1.00 0.00 O ATOM 208 ND2 ASN A 13 12.792 11.434 -5.758 1.00 0.00 N ATOM 0 H ASN A 13 9.962 10.065 -6.249 1.00 0.00 H new ATOM 0 HA ASN A 13 9.721 12.336 -8.204 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.054 10.399 -7.969 1.00 0.00 H new ATOM 0 HB3 ASN A 13 12.011 11.941 -8.800 1.00 0.00 H new ATOM 0 HD21 ASN A 13 13.109 11.891 -4.903 1.00 0.00 H new ATOM 0 HD22 ASN A 13 13.004 10.449 -5.918 1.00 0.00 H new ATOM 215 N THR A 14 9.580 9.082 -8.602 1.00 0.00 N ATOM 216 CA THR A 14 9.138 8.036 -9.568 1.00 0.00 C ATOM 217 C THR A 14 7.614 8.071 -9.697 1.00 0.00 C ATOM 218 O THR A 14 6.939 8.793 -8.990 1.00 0.00 O ATOM 219 CB THR A 14 9.577 6.658 -9.064 1.00 0.00 C ATOM 220 OG1 THR A 14 9.697 5.770 -10.167 1.00 0.00 O ATOM 221 CG2 THR A 14 8.537 6.117 -8.082 1.00 0.00 C ATOM 0 H THR A 14 9.805 8.743 -7.667 1.00 0.00 H new ATOM 0 HA THR A 14 9.589 8.227 -10.542 1.00 0.00 H new ATOM 0 HB THR A 14 10.539 6.744 -8.559 1.00 0.00 H new ATOM 0 HG1 THR A 14 10.640 5.690 -10.422 1.00 0.00 H new ATOM 0 HG21 THR A 14 8.850 5.136 -7.724 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.445 6.799 -7.237 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.574 6.029 -8.584 1.00 0.00 H new ATOM 229 N ASP A 15 7.067 7.298 -10.594 1.00 0.00 N ATOM 230 CA ASP A 15 5.587 7.289 -10.767 1.00 0.00 C ATOM 231 C ASP A 15 5.094 5.844 -10.863 1.00 0.00 C ATOM 232 O ASP A 15 5.762 4.984 -11.402 1.00 0.00 O ATOM 233 CB ASP A 15 5.218 8.039 -12.048 1.00 0.00 C ATOM 234 CG ASP A 15 3.695 8.098 -12.186 1.00 0.00 C ATOM 235 OD1 ASP A 15 3.100 7.056 -12.403 1.00 0.00 O ATOM 236 OD2 ASP A 15 3.152 9.184 -12.072 1.00 0.00 O ATOM 0 H ASP A 15 7.581 6.672 -11.215 1.00 0.00 H new ATOM 0 HA ASP A 15 5.119 7.777 -9.912 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.631 9.048 -12.023 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.653 7.538 -12.913 1.00 0.00 H new ATOM 241 N LEU A 16 3.928 5.569 -10.343 1.00 0.00 N ATOM 242 CA LEU A 16 3.394 4.180 -10.404 1.00 0.00 C ATOM 243 C LEU A 16 1.959 4.209 -10.934 1.00 0.00 C ATOM 244 O LEU A 16 1.275 5.208 -10.846 1.00 0.00 O ATOM 245 CB LEU A 16 3.408 3.565 -9.003 1.00 0.00 C ATOM 246 CG LEU A 16 4.841 3.541 -8.470 1.00 0.00 C ATOM 247 CD1 LEU A 16 4.828 3.760 -6.956 1.00 0.00 C ATOM 248 CD2 LEU A 16 5.477 2.184 -8.782 1.00 0.00 C ATOM 0 H LEU A 16 3.323 6.247 -9.879 1.00 0.00 H new ATOM 0 HA LEU A 16 4.016 3.581 -11.069 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.770 4.143 -8.334 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.004 2.553 -9.034 1.00 0.00 H new ATOM 0 HG LEU A 16 5.418 4.333 -8.946 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.850 3.743 -6.577 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.374 4.725 -6.732 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.251 2.968 -6.479 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.499 2.165 -8.403 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.898 1.393 -8.305 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.487 2.026 -9.860 1.00 0.00 H new ATOM 260 N ILE A 17 1.497 3.119 -11.484 1.00 0.00 N ATOM 261 CA ILE A 17 0.108 3.085 -12.019 1.00 0.00 C ATOM 262 C ILE A 17 -0.579 1.790 -11.579 1.00 0.00 C ATOM 263 O ILE A 17 0.066 0.802 -11.290 1.00 0.00 O ATOM 264 CB ILE A 17 0.148 3.147 -13.547 1.00 0.00 C ATOM 265 CG1 ILE A 17 0.666 4.517 -13.987 1.00 0.00 C ATOM 266 CG2 ILE A 17 -1.260 2.932 -14.104 1.00 0.00 C ATOM 267 CD1 ILE A 17 1.256 4.411 -15.395 1.00 0.00 C ATOM 0 H ILE A 17 2.022 2.251 -11.586 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.449 3.939 -11.635 1.00 0.00 H new ATOM 0 HB ILE A 17 0.811 2.368 -13.925 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.145 5.245 -13.975 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.424 4.872 -13.289 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.231 2.976 -15.193 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.630 1.956 -13.790 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.923 3.710 -13.727 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.625 5.387 -15.709 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.078 3.696 -15.392 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.485 4.075 -16.088 1.00 0.00 H new ATOM 279 N VAL A 18 -1.882 1.788 -11.525 1.00 0.00 N ATOM 280 CA VAL A 18 -2.609 0.557 -11.104 1.00 0.00 C ATOM 281 C VAL A 18 -3.803 0.327 -12.032 1.00 0.00 C ATOM 282 O VAL A 18 -4.311 1.246 -12.644 1.00 0.00 O ATOM 283 CB VAL A 18 -3.106 0.724 -9.667 1.00 0.00 C ATOM 284 CG1 VAL A 18 -1.911 0.757 -8.713 1.00 0.00 C ATOM 285 CG2 VAL A 18 -3.887 2.035 -9.548 1.00 0.00 C ATOM 0 H VAL A 18 -2.475 2.585 -11.754 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.936 -0.298 -11.159 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.755 -0.113 -9.408 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.266 0.876 -7.689 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.352 -0.175 -8.797 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.262 1.594 -8.972 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.242 2.155 -8.524 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.237 2.871 -9.807 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.739 2.014 -10.227 1.00 0.00 H new ATOM 295 N PHE A 19 -4.257 -0.892 -12.141 1.00 0.00 N ATOM 296 CA PHE A 19 -5.418 -1.179 -13.029 1.00 0.00 C ATOM 297 C PHE A 19 -6.695 -1.248 -12.191 1.00 0.00 C ATOM 298 O PHE A 19 -6.704 -1.774 -11.096 1.00 0.00 O ATOM 299 CB PHE A 19 -5.199 -2.517 -13.738 1.00 0.00 C ATOM 300 CG PHE A 19 -4.384 -2.297 -14.990 1.00 0.00 C ATOM 301 CD1 PHE A 19 -3.020 -1.995 -14.893 1.00 0.00 C ATOM 302 CD2 PHE A 19 -4.993 -2.392 -16.247 1.00 0.00 C ATOM 303 CE1 PHE A 19 -2.265 -1.791 -16.055 1.00 0.00 C ATOM 304 CE2 PHE A 19 -4.237 -2.188 -17.408 1.00 0.00 C ATOM 305 CZ PHE A 19 -2.873 -1.887 -17.311 1.00 0.00 C ATOM 0 H PHE A 19 -3.873 -1.701 -11.653 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.513 -0.386 -13.771 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.685 -3.212 -13.074 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -6.159 -2.968 -13.991 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.551 -1.919 -13.923 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.045 -2.623 -16.321 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.213 -1.559 -15.981 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.706 -2.263 -18.378 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.290 -1.729 -18.206 1.00 0.00 H new ATOM 315 N ALA A 20 -7.777 -0.721 -12.696 1.00 0.00 N ATOM 316 CA ALA A 20 -9.053 -0.757 -11.929 1.00 0.00 C ATOM 317 C ALA A 20 -10.212 -1.067 -12.878 1.00 0.00 C ATOM 318 O ALA A 20 -10.064 -1.037 -14.084 1.00 0.00 O ATOM 319 CB ALA A 20 -9.287 0.602 -11.265 1.00 0.00 C ATOM 0 H ALA A 20 -7.832 -0.267 -13.608 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.994 -1.531 -11.164 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -10.221 0.577 -10.703 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.462 0.823 -10.588 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.345 1.376 -12.030 1.00 0.00 H new ATOM 325 N ALA A 21 -11.364 -1.366 -12.344 1.00 0.00 N ATOM 326 CA ALA A 21 -12.530 -1.678 -13.217 1.00 0.00 C ATOM 327 C ALA A 21 -13.054 -0.387 -13.848 1.00 0.00 C ATOM 328 O ALA A 21 -12.666 -0.015 -14.938 1.00 0.00 O ATOM 329 CB ALA A 21 -13.637 -2.321 -12.378 1.00 0.00 C ATOM 0 H ALA A 21 -11.548 -1.408 -11.342 1.00 0.00 H new ATOM 0 HA ALA A 21 -12.222 -2.368 -14.003 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -14.491 -2.550 -13.016 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -13.264 -3.241 -11.927 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.946 -1.631 -11.593 1.00 0.00 H new ATOM 335 N SER A 22 -13.933 0.301 -13.171 1.00 0.00 N ATOM 336 CA SER A 22 -14.480 1.568 -13.733 1.00 0.00 C ATOM 337 C SER A 22 -14.517 2.638 -12.640 1.00 0.00 C ATOM 338 O SER A 22 -14.276 2.363 -11.481 1.00 0.00 O ATOM 339 CB SER A 22 -15.896 1.325 -14.256 1.00 0.00 C ATOM 340 OG SER A 22 -16.824 1.485 -13.191 1.00 0.00 O ATOM 0 H SER A 22 -14.295 0.040 -12.254 1.00 0.00 H new ATOM 0 HA SER A 22 -13.844 1.906 -14.551 1.00 0.00 H new ATOM 0 HB2 SER A 22 -16.124 2.024 -15.060 1.00 0.00 H new ATOM 0 HB3 SER A 22 -15.974 0.322 -14.674 1.00 0.00 H new ATOM 0 HG SER A 22 -17.601 0.908 -13.345 1.00 0.00 H new ATOM 346 N GLU A 23 -14.817 3.856 -12.998 1.00 0.00 N ATOM 347 CA GLU A 23 -14.870 4.941 -11.977 1.00 0.00 C ATOM 348 C GLU A 23 -16.060 4.706 -11.045 1.00 0.00 C ATOM 349 O GLU A 23 -16.174 5.320 -10.002 1.00 0.00 O ATOM 350 CB GLU A 23 -15.028 6.293 -12.677 1.00 0.00 C ATOM 351 CG GLU A 23 -14.128 7.327 -11.997 1.00 0.00 C ATOM 352 CD GLU A 23 -14.278 8.676 -12.702 1.00 0.00 C ATOM 353 OE1 GLU A 23 -15.402 9.136 -12.825 1.00 0.00 O ATOM 354 OE2 GLU A 23 -13.267 9.227 -13.107 1.00 0.00 O ATOM 0 H GLU A 23 -15.028 4.147 -13.953 1.00 0.00 H new ATOM 0 HA GLU A 23 -13.948 4.939 -11.396 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.764 6.202 -13.731 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -16.068 6.617 -12.636 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.396 7.423 -10.945 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -13.089 7.000 -12.032 1.00 0.00 H new ATOM 361 N GLU A 24 -16.948 3.823 -11.412 1.00 0.00 N ATOM 362 CA GLU A 24 -18.129 3.550 -10.545 1.00 0.00 C ATOM 363 C GLU A 24 -17.696 2.711 -9.342 1.00 0.00 C ATOM 364 O GLU A 24 -17.598 3.201 -8.235 1.00 0.00 O ATOM 365 CB GLU A 24 -19.185 2.785 -11.348 1.00 0.00 C ATOM 366 CG GLU A 24 -20.347 2.404 -10.429 1.00 0.00 C ATOM 367 CD GLU A 24 -21.551 1.987 -11.276 1.00 0.00 C ATOM 368 OE1 GLU A 24 -21.766 2.602 -12.307 1.00 0.00 O ATOM 369 OE2 GLU A 24 -22.237 1.060 -10.878 1.00 0.00 O ATOM 0 H GLU A 24 -16.907 3.279 -12.274 1.00 0.00 H new ATOM 0 HA GLU A 24 -18.550 4.493 -10.197 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -19.546 3.400 -12.173 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -18.745 1.889 -11.787 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -20.051 1.587 -9.771 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -20.612 3.247 -9.791 1.00 0.00 H new ATOM 376 N LEU A 25 -17.433 1.450 -9.550 1.00 0.00 N ATOM 377 CA LEU A 25 -17.005 0.582 -8.417 1.00 0.00 C ATOM 378 C LEU A 25 -15.909 1.288 -7.618 1.00 0.00 C ATOM 379 O LEU A 25 -15.946 1.340 -6.405 1.00 0.00 O ATOM 380 CB LEU A 25 -16.464 -0.741 -8.964 1.00 0.00 C ATOM 381 CG LEU A 25 -17.619 -1.573 -9.524 1.00 0.00 C ATOM 382 CD1 LEU A 25 -17.200 -2.199 -10.855 1.00 0.00 C ATOM 383 CD2 LEU A 25 -17.977 -2.680 -8.531 1.00 0.00 C ATOM 0 H LEU A 25 -17.496 0.984 -10.455 1.00 0.00 H new ATOM 0 HA LEU A 25 -17.859 0.386 -7.768 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -15.728 -0.550 -9.745 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -15.955 -1.292 -8.174 1.00 0.00 H new ATOM 0 HG LEU A 25 -18.485 -0.931 -9.682 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -18.023 -2.792 -11.254 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -16.944 -1.411 -11.563 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -16.333 -2.841 -10.698 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -18.800 -3.274 -8.929 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -17.110 -3.322 -8.373 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -18.276 -2.235 -7.582 1.00 0.00 H new ATOM 395 N VAL A 26 -14.932 1.835 -8.290 1.00 0.00 N ATOM 396 CA VAL A 26 -13.833 2.538 -7.568 1.00 0.00 C ATOM 397 C VAL A 26 -14.432 3.559 -6.598 1.00 0.00 C ATOM 398 O VAL A 26 -14.146 3.549 -5.418 1.00 0.00 O ATOM 399 CB VAL A 26 -12.939 3.258 -8.579 1.00 0.00 C ATOM 400 CG1 VAL A 26 -11.997 4.210 -7.841 1.00 0.00 C ATOM 401 CG2 VAL A 26 -12.115 2.227 -9.354 1.00 0.00 C ATOM 0 H VAL A 26 -14.847 1.825 -9.306 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.240 1.812 -7.011 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.559 3.826 -9.272 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.360 4.723 -8.562 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.582 4.944 -7.287 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.376 3.643 -7.148 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.477 2.738 -10.075 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.495 1.660 -8.659 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.785 1.547 -9.880 1.00 0.00 H new ATOM 411 N ASP A 27 -15.259 4.442 -7.087 1.00 0.00 N ATOM 412 CA ASP A 27 -15.875 5.462 -6.193 1.00 0.00 C ATOM 413 C ASP A 27 -16.549 4.764 -5.010 1.00 0.00 C ATOM 414 O ASP A 27 -16.396 5.162 -3.872 1.00 0.00 O ATOM 415 CB ASP A 27 -16.917 6.264 -6.974 1.00 0.00 C ATOM 416 CG ASP A 27 -17.214 7.572 -6.239 1.00 0.00 C ATOM 417 OD1 ASP A 27 -16.270 8.206 -5.796 1.00 0.00 O ATOM 418 OD2 ASP A 27 -18.379 7.916 -6.129 1.00 0.00 O ATOM 0 H ASP A 27 -15.535 4.501 -8.067 1.00 0.00 H new ATOM 0 HA ASP A 27 -15.101 6.135 -5.824 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -16.550 6.475 -7.979 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -17.832 5.681 -7.084 1.00 0.00 H new ATOM 423 N GLU A 28 -17.294 3.725 -5.269 1.00 0.00 N ATOM 424 CA GLU A 28 -17.978 3.003 -4.160 1.00 0.00 C ATOM 425 C GLU A 28 -16.939 2.541 -3.135 1.00 0.00 C ATOM 426 O GLU A 28 -17.220 2.435 -1.957 1.00 0.00 O ATOM 427 CB GLU A 28 -18.715 1.786 -4.722 1.00 0.00 C ATOM 428 CG GLU A 28 -20.110 2.205 -5.190 1.00 0.00 C ATOM 429 CD GLU A 28 -21.043 2.315 -3.982 1.00 0.00 C ATOM 430 OE1 GLU A 28 -20.746 3.103 -3.099 1.00 0.00 O ATOM 431 OE2 GLU A 28 -22.038 1.610 -3.961 1.00 0.00 O ATOM 0 H GLU A 28 -17.459 3.345 -6.201 1.00 0.00 H new ATOM 0 HA GLU A 28 -18.693 3.670 -3.678 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -18.154 1.360 -5.553 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -18.793 1.011 -3.960 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -20.058 3.161 -5.711 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -20.501 1.476 -5.900 1.00 0.00 H new ATOM 438 N TYR A 29 -15.741 2.267 -3.573 1.00 0.00 N ATOM 439 CA TYR A 29 -14.686 1.811 -2.624 1.00 0.00 C ATOM 440 C TYR A 29 -14.238 2.990 -1.757 1.00 0.00 C ATOM 441 O TYR A 29 -14.372 2.970 -0.549 1.00 0.00 O ATOM 442 CB TYR A 29 -13.490 1.274 -3.410 1.00 0.00 C ATOM 443 CG TYR A 29 -12.514 0.622 -2.460 1.00 0.00 C ATOM 444 CD1 TYR A 29 -12.832 -0.602 -1.860 1.00 0.00 C ATOM 445 CD2 TYR A 29 -11.290 1.242 -2.180 1.00 0.00 C ATOM 446 CE1 TYR A 29 -11.927 -1.206 -0.978 1.00 0.00 C ATOM 447 CE2 TYR A 29 -10.385 0.637 -1.299 1.00 0.00 C ATOM 448 CZ TYR A 29 -10.704 -0.586 -0.699 1.00 0.00 C ATOM 449 OH TYR A 29 -9.813 -1.182 0.170 1.00 0.00 O ATOM 0 H TYR A 29 -15.447 2.339 -4.547 1.00 0.00 H new ATOM 0 HA TYR A 29 -15.086 1.022 -1.988 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -13.825 0.553 -4.155 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -13.002 2.086 -3.949 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -13.775 -1.081 -2.077 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.044 2.186 -2.643 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -12.173 -2.150 -0.514 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.441 1.115 -1.083 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.164 -0.517 0.480 1.00 0.00 H new ATOM 459 N LEU A 30 -13.708 4.017 -2.362 1.00 0.00 N ATOM 460 CA LEU A 30 -13.252 5.194 -1.572 1.00 0.00 C ATOM 461 C LEU A 30 -14.351 5.609 -0.591 1.00 0.00 C ATOM 462 O LEU A 30 -14.095 5.884 0.564 1.00 0.00 O ATOM 463 CB LEU A 30 -12.949 6.357 -2.518 1.00 0.00 C ATOM 464 CG LEU A 30 -11.898 5.924 -3.540 1.00 0.00 C ATOM 465 CD1 LEU A 30 -12.048 6.759 -4.813 1.00 0.00 C ATOM 466 CD2 LEU A 30 -10.499 6.138 -2.955 1.00 0.00 C ATOM 0 H LEU A 30 -13.571 4.092 -3.370 1.00 0.00 H new ATOM 0 HA LEU A 30 -12.351 4.931 -1.018 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -13.860 6.671 -3.028 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -12.588 7.216 -1.952 1.00 0.00 H new ATOM 0 HG LEU A 30 -12.037 4.869 -3.778 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.298 6.450 -5.541 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.043 6.609 -5.231 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.909 7.814 -4.575 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.749 5.829 -3.683 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -10.361 7.193 -2.717 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -10.389 5.544 -2.048 1.00 0.00 H new ATOM 478 N LYS A 31 -15.575 5.654 -1.043 1.00 0.00 N ATOM 479 CA LYS A 31 -16.690 6.051 -0.137 1.00 0.00 C ATOM 480 C LYS A 31 -16.966 4.921 0.857 1.00 0.00 C ATOM 481 O LYS A 31 -17.542 5.132 1.906 1.00 0.00 O ATOM 482 CB LYS A 31 -17.948 6.321 -0.965 1.00 0.00 C ATOM 483 CG LYS A 31 -18.219 7.826 -1.006 1.00 0.00 C ATOM 484 CD LYS A 31 -19.486 8.095 -1.820 1.00 0.00 C ATOM 485 CE LYS A 31 -19.485 9.547 -2.302 1.00 0.00 C ATOM 486 NZ LYS A 31 -18.681 10.381 -1.365 1.00 0.00 N ATOM 0 H LYS A 31 -15.851 5.433 -2.000 1.00 0.00 H new ATOM 0 HA LYS A 31 -16.413 6.954 0.407 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -17.820 5.936 -1.977 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -18.801 5.799 -0.531 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -18.336 8.213 0.006 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -17.371 8.347 -1.451 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -19.534 7.418 -2.673 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -20.370 7.904 -1.211 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -19.069 9.607 -3.308 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -20.506 9.924 -2.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -18.920 11.384 -1.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -18.893 10.105 -0.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -17.668 10.237 -1.554 1.00 0.00 H new ATOM 500 N ASN A 32 -16.559 3.722 0.537 1.00 0.00 N ATOM 501 CA ASN A 32 -16.800 2.582 1.465 1.00 0.00 C ATOM 502 C ASN A 32 -15.688 1.544 1.297 1.00 0.00 C ATOM 503 O ASN A 32 -15.905 0.468 0.777 1.00 0.00 O ATOM 504 CB ASN A 32 -18.151 1.939 1.143 1.00 0.00 C ATOM 505 CG ASN A 32 -18.351 0.704 2.023 1.00 0.00 C ATOM 506 OD1 ASN A 32 -18.227 -0.413 1.561 1.00 0.00 O ATOM 507 ND2 ASN A 32 -18.658 0.858 3.282 1.00 0.00 N ATOM 0 H ASN A 32 -16.071 3.484 -0.326 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.806 2.945 2.493 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -18.956 2.654 1.313 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -18.191 1.659 0.090 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -18.794 0.041 3.877 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -18.762 1.795 3.671 1.00 0.00 H new ATOM 514 N PRO A 33 -14.504 1.872 1.737 1.00 0.00 N ATOM 515 CA PRO A 33 -13.326 0.965 1.642 1.00 0.00 C ATOM 516 C PRO A 33 -13.394 -0.181 2.657 1.00 0.00 C ATOM 517 O PRO A 33 -14.135 -0.128 3.618 1.00 0.00 O ATOM 518 CB PRO A 33 -12.138 1.878 1.946 1.00 0.00 C ATOM 519 CG PRO A 33 -12.693 2.989 2.775 1.00 0.00 C ATOM 520 CD PRO A 33 -14.161 3.153 2.375 1.00 0.00 C ATOM 0 HA PRO A 33 -13.265 0.482 0.667 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -11.356 1.340 2.483 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -11.690 2.259 1.028 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -12.606 2.759 3.837 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.140 3.913 2.602 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -14.791 3.348 3.243 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -14.296 3.989 1.689 1.00 0.00 H new ATOM 528 N SER A 34 -12.627 -1.216 2.450 1.00 0.00 N ATOM 529 CA SER A 34 -12.649 -2.362 3.402 1.00 0.00 C ATOM 530 C SER A 34 -11.517 -3.333 3.058 1.00 0.00 C ATOM 531 O SER A 34 -10.361 -3.074 3.329 1.00 0.00 O ATOM 532 CB SER A 34 -13.991 -3.087 3.298 1.00 0.00 C ATOM 533 OG SER A 34 -15.029 -2.215 3.726 1.00 0.00 O ATOM 0 H SER A 34 -11.986 -1.318 1.663 1.00 0.00 H new ATOM 0 HA SER A 34 -12.514 -1.992 4.418 1.00 0.00 H new ATOM 0 HB2 SER A 34 -14.167 -3.405 2.270 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.980 -3.987 3.912 1.00 0.00 H new ATOM 0 HG SER A 34 -14.637 -1.420 4.143 1.00 0.00 H new ATOM 539 N ILE A 35 -11.840 -4.447 2.461 1.00 0.00 N ATOM 540 CA ILE A 35 -10.782 -5.432 2.099 1.00 0.00 C ATOM 541 C ILE A 35 -11.374 -6.505 1.182 1.00 0.00 C ATOM 542 O ILE A 35 -10.664 -7.185 0.469 1.00 0.00 O ATOM 543 CB ILE A 35 -10.242 -6.090 3.371 1.00 0.00 C ATOM 544 CG1 ILE A 35 -8.929 -6.810 3.053 1.00 0.00 C ATOM 545 CG2 ILE A 35 -11.263 -7.101 3.896 1.00 0.00 C ATOM 546 CD1 ILE A 35 -7.832 -5.778 2.787 1.00 0.00 C ATOM 0 H ILE A 35 -12.790 -4.718 2.208 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.971 -4.920 1.581 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.065 -5.326 4.128 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.644 -7.453 3.886 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.056 -7.453 2.182 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.878 -7.570 4.802 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -12.199 -6.589 4.121 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.440 -7.865 3.139 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.897 -6.291 2.561 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.118 -5.153 1.941 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.698 -5.153 3.670 1.00 0.00 H new ATOM 558 N GLY A 36 -12.669 -6.661 1.196 1.00 0.00 N ATOM 559 CA GLY A 36 -13.305 -7.689 0.325 1.00 0.00 C ATOM 560 C GLY A 36 -13.696 -7.057 -1.012 1.00 0.00 C ATOM 561 O GLY A 36 -13.539 -7.651 -2.060 1.00 0.00 O ATOM 0 H GLY A 36 -13.314 -6.121 1.773 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -12.616 -8.517 0.160 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.187 -8.101 0.816 1.00 0.00 H new ATOM 565 N LYS A 37 -14.202 -5.854 -0.984 1.00 0.00 N ATOM 566 CA LYS A 37 -14.602 -5.185 -2.253 1.00 0.00 C ATOM 567 C LYS A 37 -13.351 -4.849 -3.067 1.00 0.00 C ATOM 568 O LYS A 37 -13.419 -4.607 -4.256 1.00 0.00 O ATOM 569 CB LYS A 37 -15.363 -3.897 -1.933 1.00 0.00 C ATOM 570 CG LYS A 37 -15.903 -3.287 -3.228 1.00 0.00 C ATOM 571 CD LYS A 37 -17.238 -2.595 -2.948 1.00 0.00 C ATOM 572 CE LYS A 37 -17.632 -1.738 -4.153 1.00 0.00 C ATOM 573 NZ LYS A 37 -19.115 -1.606 -4.206 1.00 0.00 N ATOM 0 H LYS A 37 -14.355 -5.306 -0.137 1.00 0.00 H new ATOM 0 HA LYS A 37 -15.243 -5.852 -2.829 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -16.184 -4.108 -1.248 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.704 -3.188 -1.432 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.187 -2.570 -3.631 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -16.035 -4.064 -3.981 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -18.010 -3.338 -2.749 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -17.157 -1.973 -2.057 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -17.171 -0.753 -4.078 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -17.264 -2.193 -5.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -19.383 -1.024 -5.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -19.544 -2.549 -4.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -19.455 -1.153 -3.333 1.00 0.00 H new ATOM 587 N LEU A 38 -12.208 -4.831 -2.437 1.00 0.00 N ATOM 588 CA LEU A 38 -10.955 -4.510 -3.175 1.00 0.00 C ATOM 589 C LEU A 38 -10.624 -5.651 -4.141 1.00 0.00 C ATOM 590 O LEU A 38 -10.020 -5.447 -5.175 1.00 0.00 O ATOM 591 CB LEU A 38 -9.806 -4.338 -2.179 1.00 0.00 C ATOM 592 CG LEU A 38 -8.582 -3.773 -2.903 1.00 0.00 C ATOM 593 CD1 LEU A 38 -8.620 -2.245 -2.858 1.00 0.00 C ATOM 594 CD2 LEU A 38 -7.309 -4.271 -2.214 1.00 0.00 C ATOM 0 H LEU A 38 -12.088 -5.025 -1.443 1.00 0.00 H new ATOM 0 HA LEU A 38 -11.092 -3.586 -3.737 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -10.106 -3.668 -1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.561 -5.297 -1.722 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.589 -4.105 -3.941 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.748 -1.844 -3.374 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -9.527 -1.889 -3.347 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.613 -1.911 -1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.436 -3.869 -2.728 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.303 -3.939 -1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.280 -5.360 -2.246 1.00 0.00 H new ATOM 606 N SER A 39 -11.018 -6.851 -3.811 1.00 0.00 N ATOM 607 CA SER A 39 -10.726 -8.003 -4.710 1.00 0.00 C ATOM 608 C SER A 39 -11.499 -7.838 -6.020 1.00 0.00 C ATOM 609 O SER A 39 -11.040 -8.225 -7.076 1.00 0.00 O ATOM 610 CB SER A 39 -11.154 -9.303 -4.028 1.00 0.00 C ATOM 611 OG SER A 39 -11.949 -10.065 -4.925 1.00 0.00 O ATOM 0 H SER A 39 -11.529 -7.083 -2.959 1.00 0.00 H new ATOM 0 HA SER A 39 -9.657 -8.037 -4.920 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.276 -9.875 -3.726 1.00 0.00 H new ATOM 0 HB3 SER A 39 -11.718 -9.083 -3.122 1.00 0.00 H new ATOM 0 HG SER A 39 -12.223 -10.900 -4.491 1.00 0.00 H new ATOM 617 N GLU A 40 -12.670 -7.264 -5.961 1.00 0.00 N ATOM 618 CA GLU A 40 -13.471 -7.074 -7.202 1.00 0.00 C ATOM 619 C GLU A 40 -12.928 -5.875 -7.982 1.00 0.00 C ATOM 620 O GLU A 40 -12.550 -5.988 -9.131 1.00 0.00 O ATOM 621 CB GLU A 40 -14.934 -6.823 -6.833 1.00 0.00 C ATOM 622 CG GLU A 40 -15.584 -8.137 -6.394 1.00 0.00 C ATOM 623 CD GLU A 40 -17.097 -7.943 -6.273 1.00 0.00 C ATOM 624 OE1 GLU A 40 -17.757 -7.935 -7.299 1.00 0.00 O ATOM 625 OE2 GLU A 40 -17.568 -7.806 -5.156 1.00 0.00 O ATOM 0 H GLU A 40 -13.106 -6.919 -5.106 1.00 0.00 H new ATOM 0 HA GLU A 40 -13.401 -7.970 -7.819 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -14.996 -6.088 -6.030 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -15.469 -6.408 -7.687 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -15.364 -8.923 -7.117 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -15.170 -8.458 -5.438 1.00 0.00 H new ATOM 632 N VAL A 41 -12.886 -4.725 -7.365 1.00 0.00 N ATOM 633 CA VAL A 41 -12.368 -3.521 -8.071 1.00 0.00 C ATOM 634 C VAL A 41 -11.061 -3.870 -8.785 1.00 0.00 C ATOM 635 O VAL A 41 -10.955 -3.772 -9.991 1.00 0.00 O ATOM 636 CB VAL A 41 -12.112 -2.405 -7.056 1.00 0.00 C ATOM 637 CG1 VAL A 41 -11.484 -1.204 -7.763 1.00 0.00 C ATOM 638 CG2 VAL A 41 -13.438 -1.984 -6.418 1.00 0.00 C ATOM 0 H VAL A 41 -13.188 -4.569 -6.403 1.00 0.00 H new ATOM 0 HA VAL A 41 -13.103 -3.186 -8.803 1.00 0.00 H new ATOM 0 HB VAL A 41 -11.433 -2.766 -6.283 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.302 -0.410 -7.039 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.540 -1.503 -8.219 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -12.161 -0.842 -8.536 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -13.257 -1.189 -5.695 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -14.116 -1.623 -7.192 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -13.886 -2.839 -5.913 1.00 0.00 H new ATOM 648 N VAL A 42 -10.062 -4.278 -8.049 1.00 0.00 N ATOM 649 CA VAL A 42 -8.764 -4.635 -8.687 1.00 0.00 C ATOM 650 C VAL A 42 -8.910 -5.960 -9.436 1.00 0.00 C ATOM 651 O VAL A 42 -9.271 -6.970 -8.865 1.00 0.00 O ATOM 652 CB VAL A 42 -7.688 -4.775 -7.609 1.00 0.00 C ATOM 653 CG1 VAL A 42 -6.347 -5.106 -8.265 1.00 0.00 C ATOM 654 CG2 VAL A 42 -7.567 -3.458 -6.837 1.00 0.00 C ATOM 0 H VAL A 42 -10.090 -4.379 -7.034 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.477 -3.852 -9.388 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.963 -5.576 -6.923 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.581 -5.206 -7.496 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.433 -6.043 -8.816 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.070 -4.306 -8.951 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.801 -3.556 -6.068 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.292 -2.658 -7.524 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.522 -3.222 -6.369 1.00 0.00 H new ATOM 664 N GLU A 43 -8.634 -5.965 -10.711 1.00 0.00 N ATOM 665 CA GLU A 43 -8.757 -7.227 -11.495 1.00 0.00 C ATOM 666 C GLU A 43 -7.363 -7.794 -11.772 1.00 0.00 C ATOM 667 O GLU A 43 -7.216 -8.836 -12.378 1.00 0.00 O ATOM 668 CB GLU A 43 -9.463 -6.936 -12.822 1.00 0.00 C ATOM 669 CG GLU A 43 -10.925 -6.570 -12.554 1.00 0.00 C ATOM 670 CD GLU A 43 -11.685 -7.814 -12.095 1.00 0.00 C ATOM 671 OE1 GLU A 43 -11.064 -8.859 -11.988 1.00 0.00 O ATOM 672 OE2 GLU A 43 -12.878 -7.702 -11.858 1.00 0.00 O ATOM 0 H GLU A 43 -8.329 -5.151 -11.244 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.337 -7.953 -10.926 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.962 -6.119 -13.341 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.409 -7.808 -13.474 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.983 -5.793 -11.791 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.381 -6.165 -13.457 1.00 0.00 H new ATOM 679 N LEU A 44 -6.339 -7.115 -11.333 1.00 0.00 N ATOM 680 CA LEU A 44 -4.957 -7.617 -11.570 1.00 0.00 C ATOM 681 C LEU A 44 -4.015 -7.031 -10.516 1.00 0.00 C ATOM 682 O LEU A 44 -3.685 -5.861 -10.545 1.00 0.00 O ATOM 683 CB LEU A 44 -4.491 -7.189 -12.963 1.00 0.00 C ATOM 684 CG LEU A 44 -3.093 -7.750 -13.230 1.00 0.00 C ATOM 685 CD1 LEU A 44 -3.203 -9.215 -13.656 1.00 0.00 C ATOM 686 CD2 LEU A 44 -2.425 -6.944 -14.345 1.00 0.00 C ATOM 0 H LEU A 44 -6.400 -6.235 -10.821 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.949 -8.705 -11.502 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.189 -7.550 -13.718 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.478 -6.101 -13.035 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.494 -7.680 -12.322 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.207 -9.614 -13.846 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.679 -9.790 -12.862 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.802 -9.286 -14.564 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.429 -7.343 -14.536 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.024 -7.014 -15.253 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.346 -5.900 -14.042 1.00 0.00 H new ATOM 698 N PHE A 45 -3.579 -7.834 -9.584 1.00 0.00 N ATOM 699 CA PHE A 45 -2.659 -7.322 -8.529 1.00 0.00 C ATOM 700 C PHE A 45 -1.246 -7.193 -9.104 1.00 0.00 C ATOM 701 O PHE A 45 -0.441 -8.097 -9.006 1.00 0.00 O ATOM 702 CB PHE A 45 -2.643 -8.297 -7.350 1.00 0.00 C ATOM 703 CG PHE A 45 -4.035 -8.418 -6.779 1.00 0.00 C ATOM 704 CD1 PHE A 45 -4.636 -7.317 -6.158 1.00 0.00 C ATOM 705 CD2 PHE A 45 -4.726 -9.633 -6.869 1.00 0.00 C ATOM 706 CE1 PHE A 45 -5.927 -7.429 -5.628 1.00 0.00 C ATOM 707 CE2 PHE A 45 -6.017 -9.746 -6.339 1.00 0.00 C ATOM 708 CZ PHE A 45 -6.618 -8.643 -5.719 1.00 0.00 C ATOM 0 H PHE A 45 -3.820 -8.822 -9.508 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.003 -6.346 -8.188 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.286 -9.274 -7.677 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.953 -7.946 -6.583 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.103 -6.380 -6.088 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.263 -10.483 -7.347 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.390 -6.579 -5.149 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.549 -10.683 -6.408 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.614 -8.729 -5.311 1.00 0.00 H new ATOM 718 N GLU A 46 -0.940 -6.075 -9.702 1.00 0.00 N ATOM 719 CA GLU A 46 0.421 -5.888 -10.281 1.00 0.00 C ATOM 720 C GLU A 46 0.633 -4.411 -10.619 1.00 0.00 C ATOM 721 O GLU A 46 -0.021 -3.862 -11.483 1.00 0.00 O ATOM 722 CB GLU A 46 0.552 -6.725 -11.555 1.00 0.00 C ATOM 723 CG GLU A 46 1.985 -7.246 -11.679 1.00 0.00 C ATOM 724 CD GLU A 46 2.110 -8.580 -10.940 1.00 0.00 C ATOM 725 OE1 GLU A 46 1.933 -8.585 -9.733 1.00 0.00 O ATOM 726 OE2 GLU A 46 2.381 -9.573 -11.594 1.00 0.00 O ATOM 0 H GLU A 46 -1.573 -5.283 -9.815 1.00 0.00 H new ATOM 0 HA GLU A 46 1.171 -6.207 -9.557 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.148 -7.560 -11.528 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.296 -6.122 -12.427 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.247 -7.374 -12.729 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.684 -6.521 -11.263 1.00 0.00 H new ATOM 733 N VAL A 47 1.542 -3.763 -9.943 1.00 0.00 N ATOM 734 CA VAL A 47 1.795 -2.322 -10.225 1.00 0.00 C ATOM 735 C VAL A 47 2.756 -2.195 -11.408 1.00 0.00 C ATOM 736 O VAL A 47 3.654 -2.995 -11.580 1.00 0.00 O ATOM 737 CB VAL A 47 2.413 -1.662 -8.991 1.00 0.00 C ATOM 738 CG1 VAL A 47 2.512 -0.151 -9.215 1.00 0.00 C ATOM 739 CG2 VAL A 47 1.533 -1.939 -7.771 1.00 0.00 C ATOM 0 H VAL A 47 2.120 -4.169 -9.208 1.00 0.00 H new ATOM 0 HA VAL A 47 0.854 -1.828 -10.468 1.00 0.00 H new ATOM 0 HB VAL A 47 3.409 -2.070 -8.822 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.952 0.319 -8.336 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.138 0.048 -10.085 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.516 0.258 -9.384 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.973 -1.469 -6.891 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.537 -1.531 -7.941 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.462 -3.015 -7.610 1.00 0.00 H new ATOM 749 N PHE A 48 2.577 -1.194 -12.226 1.00 0.00 N ATOM 750 CA PHE A 48 3.481 -1.016 -13.396 1.00 0.00 C ATOM 751 C PHE A 48 3.998 0.423 -13.428 1.00 0.00 C ATOM 752 O PHE A 48 3.484 1.293 -12.752 1.00 0.00 O ATOM 753 CB PHE A 48 2.711 -1.308 -14.685 1.00 0.00 C ATOM 754 CG PHE A 48 2.381 -2.780 -14.753 1.00 0.00 C ATOM 755 CD1 PHE A 48 3.407 -3.722 -14.888 1.00 0.00 C ATOM 756 CD2 PHE A 48 1.047 -3.202 -14.681 1.00 0.00 C ATOM 757 CE1 PHE A 48 3.101 -5.087 -14.950 1.00 0.00 C ATOM 758 CE2 PHE A 48 0.741 -4.567 -14.744 1.00 0.00 C ATOM 759 CZ PHE A 48 1.768 -5.510 -14.878 1.00 0.00 C ATOM 0 H PHE A 48 1.843 -0.492 -12.134 1.00 0.00 H new ATOM 0 HA PHE A 48 4.323 -1.703 -13.311 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.795 -0.718 -14.716 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.307 -1.018 -15.551 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.435 -3.396 -14.944 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.255 -2.475 -14.577 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.893 -5.814 -15.053 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.287 -4.893 -14.689 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.532 -6.563 -14.926 1.00 0.00 H new ATOM 769 N THR A 49 5.012 0.683 -14.207 1.00 0.00 N ATOM 770 CA THR A 49 5.561 2.066 -14.280 1.00 0.00 C ATOM 771 C THR A 49 6.435 2.202 -15.529 1.00 0.00 C ATOM 772 O THR A 49 7.013 1.242 -15.999 1.00 0.00 O ATOM 773 CB THR A 49 6.403 2.348 -13.034 1.00 0.00 C ATOM 774 OG1 THR A 49 7.469 3.224 -13.373 1.00 0.00 O ATOM 775 CG2 THR A 49 6.971 1.036 -12.491 1.00 0.00 C ATOM 0 H THR A 49 5.484 -0.003 -14.796 1.00 0.00 H new ATOM 0 HA THR A 49 4.740 2.781 -14.332 1.00 0.00 H new ATOM 0 HB THR A 49 5.779 2.813 -12.271 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.008 3.407 -12.576 1.00 0.00 H new ATOM 0 HG21 THR A 49 7.570 1.239 -11.604 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.152 0.365 -12.230 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.596 0.568 -13.252 1.00 0.00 H new ATOM 783 N PRO A 50 6.527 3.391 -16.058 1.00 0.00 N ATOM 784 CA PRO A 50 7.342 3.674 -17.274 1.00 0.00 C ATOM 785 C PRO A 50 8.846 3.622 -16.987 1.00 0.00 C ATOM 786 O PRO A 50 9.307 4.067 -15.955 1.00 0.00 O ATOM 787 CB PRO A 50 6.923 5.089 -17.676 1.00 0.00 C ATOM 788 CG PRO A 50 6.417 5.726 -16.423 1.00 0.00 C ATOM 789 CD PRO A 50 5.861 4.600 -15.550 1.00 0.00 C ATOM 0 HA PRO A 50 7.172 2.933 -18.055 1.00 0.00 H new ATOM 0 HB2 PRO A 50 7.765 5.646 -18.087 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.150 5.066 -18.444 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.218 6.256 -15.907 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.643 6.460 -16.647 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.084 4.765 -14.496 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.777 4.525 -15.638 1.00 0.00 H new ATOM 911 N LEU A 60 5.402 -0.468 -20.739 1.00 0.00 N ATOM 912 CA LEU A 60 5.543 -0.083 -19.306 1.00 0.00 C ATOM 913 C LEU A 60 6.630 -0.940 -18.653 1.00 0.00 C ATOM 914 O LEU A 60 7.348 -1.660 -19.317 1.00 0.00 O ATOM 915 CB LEU A 60 4.213 -0.308 -18.584 1.00 0.00 C ATOM 916 CG LEU A 60 3.079 0.319 -19.397 1.00 0.00 C ATOM 917 CD1 LEU A 60 1.788 0.296 -18.576 1.00 0.00 C ATOM 918 CD2 LEU A 60 3.438 1.767 -19.740 1.00 0.00 C ATOM 0 HA LEU A 60 5.819 0.969 -19.237 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.034 -1.375 -18.453 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.248 0.134 -17.588 1.00 0.00 H new ATOM 0 HG LEU A 60 2.935 -0.249 -20.316 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.980 0.743 -19.156 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.531 -0.734 -18.330 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.931 0.863 -17.656 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.630 2.215 -20.319 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.582 2.334 -18.820 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.357 1.785 -20.325 1.00 0.00 H new ATOM 930 N GLY A 61 6.755 -0.868 -17.357 1.00 0.00 N ATOM 931 CA GLY A 61 7.796 -1.679 -16.663 1.00 0.00 C ATOM 932 C GLY A 61 7.249 -2.177 -15.324 1.00 0.00 C ATOM 933 O GLY A 61 6.157 -1.828 -14.920 1.00 0.00 O ATOM 0 H GLY A 61 6.182 -0.283 -16.748 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.088 -2.525 -17.286 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.691 -1.079 -16.501 1.00 0.00 H new ATOM 937 N ALA A 62 7.998 -2.992 -14.632 1.00 0.00 N ATOM 938 CA ALA A 62 7.520 -3.510 -13.320 1.00 0.00 C ATOM 939 C ALA A 62 8.243 -2.779 -12.188 1.00 0.00 C ATOM 940 O ALA A 62 9.455 -2.710 -12.156 1.00 0.00 O ATOM 941 CB ALA A 62 7.812 -5.009 -13.228 1.00 0.00 C ATOM 0 H ALA A 62 8.920 -3.321 -14.919 1.00 0.00 H new ATOM 0 HA ALA A 62 6.447 -3.342 -13.232 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.463 -5.389 -12.268 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.296 -5.530 -14.034 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.885 -5.177 -13.316 1.00 0.00 H new ATOM 947 N ALA A 63 7.509 -2.231 -11.258 1.00 0.00 N ATOM 948 CA ALA A 63 8.155 -1.504 -10.130 1.00 0.00 C ATOM 949 C ALA A 63 8.900 -2.502 -9.241 1.00 0.00 C ATOM 950 O ALA A 63 8.468 -3.621 -9.048 1.00 0.00 O ATOM 951 CB ALA A 63 7.085 -0.787 -9.305 1.00 0.00 C ATOM 0 H ALA A 63 6.490 -2.256 -11.231 1.00 0.00 H new ATOM 0 HA ALA A 63 8.859 -0.772 -10.526 1.00 0.00 H new ATOM 0 HB1 ALA A 63 7.558 -0.255 -8.479 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.553 -0.076 -9.938 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.380 -1.518 -8.909 1.00 0.00 H new ATOM 957 N SER A 64 10.018 -2.105 -8.695 1.00 0.00 N ATOM 958 CA SER A 64 10.789 -3.032 -7.819 1.00 0.00 C ATOM 959 C SER A 64 10.376 -2.816 -6.362 1.00 0.00 C ATOM 960 O SER A 64 9.908 -1.759 -5.989 1.00 0.00 O ATOM 961 CB SER A 64 12.284 -2.751 -7.972 1.00 0.00 C ATOM 962 OG SER A 64 12.983 -3.983 -8.093 1.00 0.00 O ATOM 0 H SER A 64 10.430 -1.180 -8.818 1.00 0.00 H new ATOM 0 HA SER A 64 10.582 -4.063 -8.107 1.00 0.00 H new ATOM 0 HB2 SER A 64 12.461 -2.131 -8.851 1.00 0.00 H new ATOM 0 HB3 SER A 64 12.651 -2.194 -7.110 1.00 0.00 H new ATOM 0 HG SER A 64 13.942 -3.807 -8.193 1.00 0.00 H new ATOM 968 N LYS A 65 10.544 -3.811 -5.534 1.00 0.00 N ATOM 969 CA LYS A 65 10.161 -3.664 -4.103 1.00 0.00 C ATOM 970 C LYS A 65 10.529 -2.261 -3.617 1.00 0.00 C ATOM 971 O LYS A 65 9.723 -1.565 -3.032 1.00 0.00 O ATOM 972 CB LYS A 65 10.906 -4.705 -3.265 1.00 0.00 C ATOM 973 CG LYS A 65 10.526 -6.109 -3.739 1.00 0.00 C ATOM 974 CD LYS A 65 10.638 -7.091 -2.570 1.00 0.00 C ATOM 975 CE LYS A 65 9.452 -6.897 -1.622 1.00 0.00 C ATOM 976 NZ LYS A 65 9.949 -6.441 -0.293 1.00 0.00 N ATOM 0 H LYS A 65 10.931 -4.720 -5.788 1.00 0.00 H new ATOM 0 HA LYS A 65 9.087 -3.815 -3.998 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.982 -4.558 -3.356 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.656 -4.585 -2.211 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.509 -6.109 -4.131 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.182 -6.419 -4.553 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.655 -8.115 -2.942 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.574 -6.931 -2.035 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.759 -6.164 -2.034 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.901 -7.831 -1.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.181 -5.961 0.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.272 -7.262 0.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.741 -5.781 -0.427 1.00 0.00 H new ATOM 990 N ALA A 66 11.742 -1.840 -3.854 1.00 0.00 N ATOM 991 CA ALA A 66 12.160 -0.482 -3.405 1.00 0.00 C ATOM 992 C ALA A 66 11.210 0.565 -3.988 1.00 0.00 C ATOM 993 O ALA A 66 10.562 1.299 -3.268 1.00 0.00 O ATOM 994 CB ALA A 66 13.586 -0.203 -3.886 1.00 0.00 C ATOM 0 H ALA A 66 12.461 -2.378 -4.339 1.00 0.00 H new ATOM 0 HA ALA A 66 12.127 -0.434 -2.317 1.00 0.00 H new ATOM 0 HB1 ALA A 66 13.893 0.790 -3.558 1.00 0.00 H new ATOM 0 HB2 ALA A 66 14.263 -0.948 -3.469 1.00 0.00 H new ATOM 0 HB3 ALA A 66 13.619 -0.252 -4.974 1.00 0.00 H new ATOM 1000 N GLN A 67 11.122 0.641 -5.288 1.00 0.00 N ATOM 1001 CA GLN A 67 10.214 1.642 -5.916 1.00 0.00 C ATOM 1002 C GLN A 67 8.953 1.796 -5.064 1.00 0.00 C ATOM 1003 O GLN A 67 8.439 2.883 -4.889 1.00 0.00 O ATOM 1004 CB GLN A 67 9.826 1.168 -7.319 1.00 0.00 C ATOM 1005 CG GLN A 67 10.972 1.455 -8.291 1.00 0.00 C ATOM 1006 CD GLN A 67 11.081 2.964 -8.519 1.00 0.00 C ATOM 1007 OE1 GLN A 67 12.140 3.539 -8.365 1.00 0.00 O ATOM 1008 NE2 GLN A 67 10.023 3.634 -8.884 1.00 0.00 N ATOM 0 H GLN A 67 11.639 0.053 -5.942 1.00 0.00 H new ATOM 0 HA GLN A 67 10.725 2.602 -5.984 1.00 0.00 H new ATOM 0 HB2 GLN A 67 9.605 0.101 -7.306 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.920 1.677 -7.648 1.00 0.00 H new ATOM 0 HG2 GLN A 67 11.909 1.068 -7.890 1.00 0.00 H new ATOM 0 HG3 GLN A 67 10.796 0.945 -9.238 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.134 3.152 -9.013 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.085 4.640 -9.040 1.00 0.00 H new ATOM 1017 N VAL A 68 8.449 0.716 -4.532 1.00 0.00 N ATOM 1018 CA VAL A 68 7.220 0.802 -3.693 1.00 0.00 C ATOM 1019 C VAL A 68 7.605 1.177 -2.260 1.00 0.00 C ATOM 1020 O VAL A 68 6.864 1.839 -1.561 1.00 0.00 O ATOM 1021 CB VAL A 68 6.508 -0.551 -3.691 1.00 0.00 C ATOM 1022 CG1 VAL A 68 5.180 -0.429 -2.944 1.00 0.00 C ATOM 1023 CG2 VAL A 68 6.241 -0.987 -5.133 1.00 0.00 C ATOM 0 H VAL A 68 8.835 -0.222 -4.642 1.00 0.00 H new ATOM 0 HA VAL A 68 6.555 1.563 -4.102 1.00 0.00 H new ATOM 0 HB VAL A 68 7.137 -1.291 -3.196 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.673 -1.394 -2.943 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.368 -0.117 -1.917 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.551 0.311 -3.439 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.733 -1.952 -5.133 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.612 -0.246 -5.627 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.187 -1.075 -5.668 1.00 0.00 H new ATOM 1033 N GLU A 69 8.760 0.759 -1.817 1.00 0.00 N ATOM 1034 CA GLU A 69 9.189 1.091 -0.430 1.00 0.00 C ATOM 1035 C GLU A 69 9.388 2.602 -0.304 1.00 0.00 C ATOM 1036 O GLU A 69 9.049 3.202 0.697 1.00 0.00 O ATOM 1037 CB GLU A 69 10.506 0.376 -0.120 1.00 0.00 C ATOM 1038 CG GLU A 69 10.715 0.323 1.395 1.00 0.00 C ATOM 1039 CD GLU A 69 11.935 -0.542 1.713 1.00 0.00 C ATOM 1040 OE1 GLU A 69 12.285 -1.367 0.884 1.00 0.00 O ATOM 1041 OE2 GLU A 69 12.500 -0.365 2.780 1.00 0.00 O ATOM 0 H GLU A 69 9.424 0.203 -2.356 1.00 0.00 H new ATOM 0 HA GLU A 69 8.423 0.766 0.274 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.489 -0.633 -0.531 1.00 0.00 H new ATOM 0 HB3 GLU A 69 11.336 0.899 -0.594 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.857 1.330 1.788 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.829 -0.087 1.881 1.00 0.00 H new ATOM 1048 N ASN A 70 9.935 3.224 -1.313 1.00 0.00 N ATOM 1049 CA ASN A 70 10.155 4.696 -1.249 1.00 0.00 C ATOM 1050 C ASN A 70 8.805 5.412 -1.175 1.00 0.00 C ATOM 1051 O ASN A 70 8.720 6.558 -0.781 1.00 0.00 O ATOM 1052 CB ASN A 70 10.907 5.155 -2.501 1.00 0.00 C ATOM 1053 CG ASN A 70 12.000 6.148 -2.106 1.00 0.00 C ATOM 1054 OD1 ASN A 70 11.862 7.337 -2.313 1.00 0.00 O ATOM 1055 ND2 ASN A 70 13.091 5.707 -1.540 1.00 0.00 N ATOM 0 H ASN A 70 10.239 2.776 -2.178 1.00 0.00 H new ATOM 0 HA ASN A 70 10.743 4.936 -0.363 1.00 0.00 H new ATOM 0 HB2 ASN A 70 11.347 4.297 -3.008 1.00 0.00 H new ATOM 0 HB3 ASN A 70 10.215 5.620 -3.203 1.00 0.00 H new ATOM 0 HD21 ASN A 70 13.827 6.361 -1.272 1.00 0.00 H new ATOM 0 HD22 ASN A 70 13.208 4.709 -1.366 1.00 0.00 H new ATOM 1062 N GLU A 71 7.748 4.745 -1.551 1.00 0.00 N ATOM 1063 CA GLU A 71 6.405 5.389 -1.500 1.00 0.00 C ATOM 1064 C GLU A 71 5.679 4.956 -0.225 1.00 0.00 C ATOM 1065 O GLU A 71 5.487 5.736 0.687 1.00 0.00 O ATOM 1066 CB GLU A 71 5.588 4.961 -2.722 1.00 0.00 C ATOM 1067 CG GLU A 71 5.932 5.866 -3.907 1.00 0.00 C ATOM 1068 CD GLU A 71 7.435 6.145 -3.918 1.00 0.00 C ATOM 1069 OE1 GLU A 71 8.189 5.216 -4.162 1.00 0.00 O ATOM 1070 OE2 GLU A 71 7.808 7.282 -3.683 1.00 0.00 O ATOM 0 H GLU A 71 7.756 3.783 -1.891 1.00 0.00 H new ATOM 0 HA GLU A 71 6.522 6.473 -1.501 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.802 3.921 -2.970 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.523 5.023 -2.500 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.633 5.389 -4.841 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.378 6.802 -3.836 1.00 0.00 H new ATOM 1077 N PHE A 72 5.275 3.717 -0.153 1.00 0.00 N ATOM 1078 CA PHE A 72 4.563 3.236 1.065 1.00 0.00 C ATOM 1079 C PHE A 72 4.639 1.709 1.129 1.00 0.00 C ATOM 1080 O PHE A 72 3.636 1.031 1.234 1.00 0.00 O ATOM 1081 CB PHE A 72 3.098 3.671 1.003 1.00 0.00 C ATOM 1082 CG PHE A 72 2.698 3.894 -0.435 1.00 0.00 C ATOM 1083 CD1 PHE A 72 2.901 2.883 -1.383 1.00 0.00 C ATOM 1084 CD2 PHE A 72 2.124 5.111 -0.823 1.00 0.00 C ATOM 1085 CE1 PHE A 72 2.530 3.089 -2.717 1.00 0.00 C ATOM 1086 CE2 PHE A 72 1.753 5.317 -2.157 1.00 0.00 C ATOM 1087 CZ PHE A 72 1.956 4.305 -3.104 1.00 0.00 C ATOM 0 H PHE A 72 5.407 3.018 -0.884 1.00 0.00 H new ATOM 0 HA PHE A 72 5.031 3.661 1.953 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.462 2.909 1.454 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.955 4.586 1.577 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.344 1.944 -1.085 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.967 5.891 -0.093 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.687 2.309 -3.448 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.310 6.256 -2.456 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.669 4.463 -4.133 1.00 0.00 H new ATOM 1097 N GLY A 73 5.822 1.161 1.068 1.00 0.00 N ATOM 1098 CA GLY A 73 5.961 -0.322 1.125 1.00 0.00 C ATOM 1099 C GLY A 73 7.028 -0.696 2.155 1.00 0.00 C ATOM 1100 O GLY A 73 7.743 0.148 2.658 1.00 0.00 O ATOM 0 H GLY A 73 6.698 1.676 0.981 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.007 -0.777 1.392 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.236 -0.710 0.144 1.00 0.00 H new ATOM 1104 N LYS A 74 7.141 -1.955 2.475 1.00 0.00 N ATOM 1105 CA LYS A 74 8.162 -2.383 3.472 1.00 0.00 C ATOM 1106 C LYS A 74 8.047 -3.891 3.704 1.00 0.00 C ATOM 1107 O LYS A 74 8.973 -4.639 3.455 1.00 0.00 O ATOM 1108 CB LYS A 74 7.925 -1.643 4.792 1.00 0.00 C ATOM 1109 CG LYS A 74 9.099 -0.700 5.068 1.00 0.00 C ATOM 1110 CD LYS A 74 8.706 0.298 6.159 1.00 0.00 C ATOM 1111 CE LYS A 74 8.163 1.573 5.514 1.00 0.00 C ATOM 1112 NZ LYS A 74 7.653 2.488 6.574 1.00 0.00 N ATOM 0 H LYS A 74 6.570 -2.707 2.089 1.00 0.00 H new ATOM 0 HA LYS A 74 9.158 -2.149 3.097 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.995 -1.077 4.742 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.820 -2.358 5.608 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.973 -1.272 5.381 1.00 0.00 H new ATOM 0 HG3 LYS A 74 9.375 -0.169 4.157 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.952 -0.140 6.813 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.570 0.532 6.781 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.948 2.066 4.940 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.363 1.328 4.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.283 3.356 6.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.892 2.016 7.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.427 2.732 7.224 1.00 0.00 H new ATOM 1126 N GLY A 75 6.919 -4.345 4.177 1.00 0.00 N ATOM 1127 CA GLY A 75 6.748 -5.805 4.424 1.00 0.00 C ATOM 1128 C GLY A 75 5.262 -6.163 4.352 1.00 0.00 C ATOM 1129 O GLY A 75 4.868 -7.275 4.647 1.00 0.00 O ATOM 0 H GLY A 75 6.108 -3.769 4.403 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.307 -6.378 3.685 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.150 -6.069 5.402 1.00 0.00 H new ATOM 1133 N LYS A 76 4.435 -5.233 3.962 1.00 0.00 N ATOM 1134 CA LYS A 76 2.976 -5.523 3.872 1.00 0.00 C ATOM 1135 C LYS A 76 2.675 -6.219 2.543 1.00 0.00 C ATOM 1136 O LYS A 76 3.492 -6.240 1.644 1.00 0.00 O ATOM 1137 CB LYS A 76 2.191 -4.212 3.950 1.00 0.00 C ATOM 1138 CG LYS A 76 3.033 -3.153 4.662 1.00 0.00 C ATOM 1139 CD LYS A 76 2.110 -2.119 5.312 1.00 0.00 C ATOM 1140 CE LYS A 76 2.951 -1.044 6.005 1.00 0.00 C ATOM 1141 NZ LYS A 76 2.626 -1.019 7.459 1.00 0.00 N ATOM 0 H LYS A 76 4.706 -4.285 3.702 1.00 0.00 H new ATOM 0 HA LYS A 76 2.683 -6.173 4.697 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.931 -3.871 2.948 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.255 -4.368 4.486 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.662 -3.622 5.419 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.700 -2.665 3.951 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.469 -1.663 4.557 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.455 -2.605 6.035 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.012 -1.249 5.862 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.752 -0.069 5.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.197 -0.289 7.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.616 -0.804 7.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.837 -1.947 7.878 1.00 0.00 H new ATOM 1155 N LYS A 77 1.510 -6.791 2.413 1.00 0.00 N ATOM 1156 CA LYS A 77 1.159 -7.485 1.142 1.00 0.00 C ATOM 1157 C LYS A 77 0.923 -6.446 0.043 1.00 0.00 C ATOM 1158 O LYS A 77 1.517 -5.386 0.039 1.00 0.00 O ATOM 1159 CB LYS A 77 -0.115 -8.310 1.346 1.00 0.00 C ATOM 1160 CG LYS A 77 0.041 -9.189 2.588 1.00 0.00 C ATOM 1161 CD LYS A 77 -1.307 -9.823 2.936 1.00 0.00 C ATOM 1162 CE LYS A 77 -1.258 -10.377 4.362 1.00 0.00 C ATOM 1163 NZ LYS A 77 -2.347 -11.378 4.544 1.00 0.00 N ATOM 0 H LYS A 77 0.786 -6.808 3.131 1.00 0.00 H new ATOM 0 HA LYS A 77 1.976 -8.145 0.850 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.975 -7.649 1.460 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.304 -8.930 0.470 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.784 -9.965 2.406 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.402 -8.592 3.426 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.102 -9.083 2.849 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.538 -10.622 2.232 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.289 -10.839 4.551 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.370 -9.567 5.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.314 -11.755 5.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.268 -10.923 4.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.220 -12.156 3.866 1.00 0.00 H new ATOM 1177 N ILE A 78 0.060 -6.743 -0.891 1.00 0.00 N ATOM 1178 CA ILE A 78 -0.212 -5.771 -1.988 1.00 0.00 C ATOM 1179 C ILE A 78 -1.614 -5.186 -1.814 1.00 0.00 C ATOM 1180 O ILE A 78 -1.967 -4.201 -2.432 1.00 0.00 O ATOM 1181 CB ILE A 78 -0.123 -6.488 -3.337 1.00 0.00 C ATOM 1182 CG1 ILE A 78 0.096 -5.459 -4.447 1.00 0.00 C ATOM 1183 CG2 ILE A 78 -1.424 -7.249 -3.597 1.00 0.00 C ATOM 1184 CD1 ILE A 78 1.589 -5.353 -4.760 1.00 0.00 C ATOM 0 H ILE A 78 -0.467 -7.615 -0.942 1.00 0.00 H new ATOM 0 HA ILE A 78 0.524 -4.968 -1.953 1.00 0.00 H new ATOM 0 HB ILE A 78 0.711 -7.189 -3.321 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.454 -5.752 -5.342 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -0.291 -4.488 -4.138 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.361 -7.760 -4.558 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.581 -7.982 -2.806 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.259 -6.548 -3.613 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.744 -4.619 -5.551 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.127 -5.040 -3.865 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.962 -6.324 -5.087 1.00 0.00 H new ATOM 1196 N GLU A 79 -2.417 -5.782 -0.975 1.00 0.00 N ATOM 1197 CA GLU A 79 -3.795 -5.258 -0.762 1.00 0.00 C ATOM 1198 C GLU A 79 -3.726 -3.939 0.008 1.00 0.00 C ATOM 1199 O GLU A 79 -4.660 -3.161 0.013 1.00 0.00 O ATOM 1200 CB GLU A 79 -4.608 -6.276 0.042 1.00 0.00 C ATOM 1201 CG GLU A 79 -3.827 -6.681 1.292 1.00 0.00 C ATOM 1202 CD GLU A 79 -3.964 -8.188 1.516 1.00 0.00 C ATOM 1203 OE1 GLU A 79 -3.311 -8.934 0.805 1.00 0.00 O ATOM 1204 OE2 GLU A 79 -4.720 -8.570 2.394 1.00 0.00 O ATOM 0 H GLU A 79 -2.178 -6.609 -0.428 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.273 -5.090 -1.727 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.570 -5.848 0.324 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.817 -7.154 -0.569 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.776 -6.414 1.179 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.203 -6.138 2.160 1.00 0.00 H new ATOM 1211 N GLU A 80 -2.626 -3.679 0.662 1.00 0.00 N ATOM 1212 CA GLU A 80 -2.499 -2.409 1.431 1.00 0.00 C ATOM 1213 C GLU A 80 -1.900 -1.326 0.531 1.00 0.00 C ATOM 1214 O GLU A 80 -2.450 -0.251 0.388 1.00 0.00 O ATOM 1215 CB GLU A 80 -1.584 -2.633 2.637 1.00 0.00 C ATOM 1216 CG GLU A 80 -2.000 -3.914 3.364 1.00 0.00 C ATOM 1217 CD GLU A 80 -1.899 -3.700 4.875 1.00 0.00 C ATOM 1218 OE1 GLU A 80 -2.571 -2.814 5.375 1.00 0.00 O ATOM 1219 OE2 GLU A 80 -1.149 -4.427 5.507 1.00 0.00 O ATOM 0 H GLU A 80 -1.811 -4.291 0.697 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.483 -2.092 1.775 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.547 -2.708 2.311 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.644 -1.782 3.315 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.020 -4.184 3.092 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.359 -4.742 3.060 1.00 0.00 H new ATOM 1226 N VAL A 81 -0.779 -1.599 -0.076 1.00 0.00 N ATOM 1227 CA VAL A 81 -0.147 -0.584 -0.965 1.00 0.00 C ATOM 1228 C VAL A 81 -1.185 -0.058 -1.958 1.00 0.00 C ATOM 1229 O VAL A 81 -1.229 1.116 -2.262 1.00 0.00 O ATOM 1230 CB VAL A 81 1.011 -1.227 -1.731 1.00 0.00 C ATOM 1231 CG1 VAL A 81 1.280 -0.435 -3.012 1.00 0.00 C ATOM 1232 CG2 VAL A 81 2.266 -1.220 -0.856 1.00 0.00 C ATOM 0 H VAL A 81 -0.273 -2.481 0.005 1.00 0.00 H new ATOM 0 HA VAL A 81 0.230 0.242 -0.362 1.00 0.00 H new ATOM 0 HB VAL A 81 0.750 -2.254 -1.987 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.105 -0.894 -3.557 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.386 -0.438 -3.636 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.540 0.592 -2.757 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.092 -1.678 -1.401 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.525 -0.193 -0.600 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.076 -1.784 0.057 1.00 0.00 H new ATOM 1242 N ILE A 82 -2.022 -0.922 -2.467 1.00 0.00 N ATOM 1243 CA ILE A 82 -3.057 -0.470 -3.440 1.00 0.00 C ATOM 1244 C ILE A 82 -4.133 0.330 -2.705 1.00 0.00 C ATOM 1245 O ILE A 82 -4.497 1.417 -3.110 1.00 0.00 O ATOM 1246 CB ILE A 82 -3.696 -1.692 -4.106 1.00 0.00 C ATOM 1247 CG1 ILE A 82 -2.820 -2.149 -5.274 1.00 0.00 C ATOM 1248 CG2 ILE A 82 -5.085 -1.320 -4.627 1.00 0.00 C ATOM 1249 CD1 ILE A 82 -2.979 -3.658 -5.471 1.00 0.00 C ATOM 0 H ILE A 82 -2.034 -1.919 -2.251 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.593 0.159 -4.200 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.785 -2.499 -3.379 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.104 -1.621 -6.184 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.776 -1.905 -5.077 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.541 -2.189 -5.101 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.709 -0.991 -3.796 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.997 -0.514 -5.355 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.355 -3.984 -6.303 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.673 -4.178 -4.563 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.022 -3.889 -5.688 1.00 0.00 H new ATOM 1261 N ASP A 83 -4.646 -0.197 -1.627 1.00 0.00 N ATOM 1262 CA ASP A 83 -5.700 0.536 -0.868 1.00 0.00 C ATOM 1263 C ASP A 83 -5.297 2.006 -0.728 1.00 0.00 C ATOM 1264 O ASP A 83 -6.097 2.899 -0.923 1.00 0.00 O ATOM 1265 CB ASP A 83 -5.852 -0.085 0.521 1.00 0.00 C ATOM 1266 CG ASP A 83 -6.571 0.899 1.445 1.00 0.00 C ATOM 1267 OD1 ASP A 83 -7.721 1.202 1.175 1.00 0.00 O ATOM 1268 OD2 ASP A 83 -5.959 1.334 2.407 1.00 0.00 O ATOM 0 H ASP A 83 -4.382 -1.102 -1.239 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.648 0.468 -1.402 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.415 -1.016 0.455 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.872 -0.334 0.929 1.00 0.00 H new ATOM 1273 N LEU A 84 -4.063 2.263 -0.391 1.00 0.00 N ATOM 1274 CA LEU A 84 -3.611 3.675 -0.238 1.00 0.00 C ATOM 1275 C LEU A 84 -3.619 4.363 -1.605 1.00 0.00 C ATOM 1276 O LEU A 84 -4.314 5.337 -1.817 1.00 0.00 O ATOM 1277 CB LEU A 84 -2.194 3.698 0.337 1.00 0.00 C ATOM 1278 CG LEU A 84 -2.199 3.076 1.734 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -0.812 2.517 2.051 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -2.565 4.147 2.765 1.00 0.00 C ATOM 0 H LEU A 84 -3.348 1.557 -0.215 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.285 4.201 0.438 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.517 3.147 -0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.827 4.723 0.385 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.931 2.269 1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.817 2.074 3.047 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.550 1.755 1.316 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.078 3.322 2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.569 3.706 3.762 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.832 4.953 2.728 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.554 4.545 2.540 1.00 0.00 H new ATOM 1292 N ILE A 85 -2.851 3.863 -2.535 1.00 0.00 N ATOM 1293 CA ILE A 85 -2.816 4.490 -3.887 1.00 0.00 C ATOM 1294 C ILE A 85 -4.232 4.898 -4.296 1.00 0.00 C ATOM 1295 O ILE A 85 -4.442 5.937 -4.891 1.00 0.00 O ATOM 1296 CB ILE A 85 -2.262 3.485 -4.900 1.00 0.00 C ATOM 1297 CG1 ILE A 85 -0.732 3.501 -4.848 1.00 0.00 C ATOM 1298 CG2 ILE A 85 -2.727 3.868 -6.306 1.00 0.00 C ATOM 1299 CD1 ILE A 85 -0.180 2.372 -5.720 1.00 0.00 C ATOM 0 H ILE A 85 -2.248 3.049 -2.417 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.176 5.372 -3.863 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.625 2.486 -4.657 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.356 4.462 -5.198 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.391 3.380 -3.820 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.332 3.152 -7.027 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.816 3.859 -6.344 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.364 4.866 -6.550 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.909 2.383 -5.683 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.546 1.414 -5.350 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.510 2.513 -6.749 1.00 0.00 H new ATOM 1311 N LEU A 86 -5.206 4.088 -3.983 1.00 0.00 N ATOM 1312 CA LEU A 86 -6.609 4.431 -4.355 1.00 0.00 C ATOM 1313 C LEU A 86 -7.090 5.605 -3.499 1.00 0.00 C ATOM 1314 O LEU A 86 -7.826 6.456 -3.955 1.00 0.00 O ATOM 1315 CB LEU A 86 -7.511 3.219 -4.112 1.00 0.00 C ATOM 1316 CG LEU A 86 -7.070 2.066 -5.014 1.00 0.00 C ATOM 1317 CD1 LEU A 86 -7.811 0.790 -4.611 1.00 0.00 C ATOM 1318 CD2 LEU A 86 -7.394 2.405 -6.471 1.00 0.00 C ATOM 0 H LEU A 86 -5.092 3.204 -3.486 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.649 4.709 -5.408 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.458 2.917 -3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.550 3.478 -4.317 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.996 1.912 -4.907 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.497 -0.032 -5.254 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.581 0.548 -3.574 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.885 0.944 -4.718 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.080 1.583 -7.114 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -8.468 2.560 -6.578 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.866 3.314 -6.759 1.00 0.00 H new ATOM 1330 N ARG A 87 -6.680 5.656 -2.261 1.00 0.00 N ATOM 1331 CA ARG A 87 -7.114 6.775 -1.378 1.00 0.00 C ATOM 1332 C ARG A 87 -7.071 8.089 -2.160 1.00 0.00 C ATOM 1333 O ARG A 87 -8.079 8.739 -2.357 1.00 0.00 O ATOM 1334 CB ARG A 87 -6.176 6.868 -0.173 1.00 0.00 C ATOM 1335 CG ARG A 87 -6.988 7.188 1.084 1.00 0.00 C ATOM 1336 CD ARG A 87 -7.635 8.566 0.935 1.00 0.00 C ATOM 1337 NE ARG A 87 -7.372 9.384 2.158 1.00 0.00 N ATOM 1338 CZ ARG A 87 -7.475 8.857 3.350 1.00 0.00 C ATOM 1339 NH1 ARG A 87 -7.885 7.627 3.494 1.00 0.00 N ATOM 1340 NH2 ARG A 87 -7.188 9.573 4.402 1.00 0.00 N ATOM 0 H ARG A 87 -6.064 4.971 -1.823 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.131 6.591 -1.033 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.640 5.928 -0.043 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.427 7.641 -0.341 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.755 6.429 1.238 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.342 7.171 1.962 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.236 9.072 0.056 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.709 8.459 0.782 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.109 10.365 2.061 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.127 7.071 2.674 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -7.963 7.221 4.427 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.884 10.541 4.293 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.267 9.165 5.334 1.00 0.00 H new ATOM 1354 N ASN A 88 -5.912 8.485 -2.608 1.00 0.00 N ATOM 1355 CA ASN A 88 -5.804 9.757 -3.378 1.00 0.00 C ATOM 1356 C ASN A 88 -6.321 9.537 -4.801 1.00 0.00 C ATOM 1357 O ASN A 88 -7.479 9.765 -5.093 1.00 0.00 O ATOM 1358 CB ASN A 88 -4.340 10.200 -3.430 1.00 0.00 C ATOM 1359 CG ASN A 88 -4.035 11.093 -2.226 1.00 0.00 C ATOM 1360 OD1 ASN A 88 -3.543 10.626 -1.217 1.00 0.00 O ATOM 1361 ND2 ASN A 88 -4.306 12.368 -2.288 1.00 0.00 N ATOM 0 H ASN A 88 -5.034 7.983 -2.474 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.400 10.528 -2.890 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.685 9.329 -3.426 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -4.145 10.741 -4.356 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -4.105 12.971 -1.491 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -4.719 12.761 -3.134 1.00 0.00 H new ATOM 1368 N GLY A 89 -5.474 9.095 -5.689 1.00 0.00 N ATOM 1369 CA GLY A 89 -5.918 8.861 -7.092 1.00 0.00 C ATOM 1370 C GLY A 89 -5.738 10.144 -7.905 1.00 0.00 C ATOM 1371 O GLY A 89 -6.352 11.156 -7.630 1.00 0.00 O ATOM 0 H GLY A 89 -4.493 8.886 -5.504 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.340 8.052 -7.537 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.963 8.552 -7.107 1.00 0.00 H new ATOM 1375 N LYS A 90 -4.902 10.111 -8.906 1.00 0.00 N ATOM 1376 CA LYS A 90 -4.683 11.328 -9.737 1.00 0.00 C ATOM 1377 C LYS A 90 -4.562 10.928 -11.208 1.00 0.00 C ATOM 1378 O LYS A 90 -3.540 11.131 -11.833 1.00 0.00 O ATOM 1379 CB LYS A 90 -3.397 12.026 -9.291 1.00 0.00 C ATOM 1380 CG LYS A 90 -3.600 12.634 -7.901 1.00 0.00 C ATOM 1381 CD LYS A 90 -2.535 13.704 -7.651 1.00 0.00 C ATOM 1382 CE LYS A 90 -2.695 14.262 -6.235 1.00 0.00 C ATOM 1383 NZ LYS A 90 -2.147 13.285 -5.252 1.00 0.00 N ATOM 0 H LYS A 90 -4.361 9.293 -9.185 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.527 12.007 -9.614 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.572 11.313 -9.271 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.128 12.805 -10.004 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -4.595 13.072 -7.826 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -3.536 11.857 -7.140 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.540 13.277 -7.775 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.631 14.506 -8.383 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.173 15.215 -6.147 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -3.747 14.454 -6.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.083 13.733 -4.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.775 12.458 -5.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.200 12.981 -5.556 1.00 0.00 H new