USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 667 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 53 HIS : no HE2:sc= 1.03 K(o=3.1,f=-4.8!) USER MOD Set 1.2: A 86 THR OG1 : rot -36:sc= 2.02 USER MOD Set 2.1: A 8 THR OG1 : rot 120:sc= 0.276 USER MOD Set 2.2: A 14 THR OG1 : rot 133:sc= 0.904 USER MOD Set 2.3: A 85 LYS NZ :NH3+ 156:sc= 1.49 (180deg=0) USER MOD Single : A 9 MET CE :methyl 163:sc= -0.0751 (180deg=-0.429) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0.0436 X(o=0.044,f=-0.052) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= -0.456 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 61 GLN : amide:sc= -0.0401 X(o=-0.04,f=0) USER MOD Single : A 62 SER OG : rot 28:sc= 0.00655 USER MOD Single : A 66 THR OG1 : rot -140:sc= -3.18! USER MOD Single : A 68 HIS :FLIP no HD1:sc=-0.00878 F(o=-0.63,f=-0.0088) USER MOD Single : A 70 LYS NZ :NH3+ -148:sc= -0.144 (180deg=-0.501) USER MOD Single : A 73 HIS : no HD1:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 1.23 K(o=1.2,f=0) USER MOD Single : A 83 HIS :FLIP no HD1:sc= -0.0263 F(o=-0.72,f=-0.026) USER MOD Single : A 84 MET CE :methyl -165:sc= -3.01 (180deg=-3.75!) USER MOD Single : A 87 MET CE :methyl -147:sc= -0.894 (180deg=-2.18) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 7 15.017 0.403 3.178 1.00 0.00 N ATOM 2 CA GLU A 7 15.758 -0.648 3.847 1.00 0.00 C ATOM 3 C GLU A 7 15.675 -0.457 5.351 1.00 0.00 C ATOM 4 O GLU A 7 16.091 0.578 5.877 1.00 0.00 O ATOM 5 CB GLU A 7 17.244 -0.672 3.417 1.00 0.00 C ATOM 6 CG GLU A 7 17.515 -0.982 1.942 1.00 0.00 C ATOM 7 CD GLU A 7 17.115 0.129 1.015 1.00 0.00 C ATOM 8 OE1 GLU A 7 15.932 0.210 0.648 1.00 0.00 O ATOM 9 OE2 GLU A 7 17.974 0.951 0.648 1.00 0.00 O ATOM 0 HA GLU A 7 15.309 -1.599 3.561 1.00 0.00 H new ATOM 0 HB2 GLU A 7 17.684 0.298 3.650 1.00 0.00 H new ATOM 0 HB3 GLU A 7 17.765 -1.412 4.024 1.00 0.00 H new ATOM 0 HG2 GLU A 7 18.577 -1.189 1.811 1.00 0.00 H new ATOM 0 HG3 GLU A 7 16.977 -1.888 1.664 1.00 0.00 H new ATOM 16 N THR A 8 15.072 -1.406 6.040 1.00 0.00 N ATOM 17 CA THR A 8 15.042 -1.364 7.492 1.00 0.00 C ATOM 18 C THR A 8 16.096 -2.339 8.079 1.00 0.00 C ATOM 19 O THR A 8 16.603 -2.141 9.183 1.00 0.00 O ATOM 20 CB THR A 8 13.619 -1.699 8.022 1.00 0.00 C ATOM 21 OG1 THR A 8 12.656 -0.803 7.412 1.00 0.00 O ATOM 22 CG2 THR A 8 13.538 -1.554 9.542 1.00 0.00 C ATOM 0 H THR A 8 14.600 -2.209 5.624 1.00 0.00 H new ATOM 0 HA THR A 8 15.291 -0.354 7.816 1.00 0.00 H new ATOM 0 HB THR A 8 13.398 -2.734 7.763 1.00 0.00 H new ATOM 0 HG1 THR A 8 11.998 -1.325 6.907 1.00 0.00 H new ATOM 0 HG21 THR A 8 12.529 -1.796 9.877 1.00 0.00 H new ATOM 0 HG22 THR A 8 14.249 -2.234 10.011 1.00 0.00 H new ATOM 0 HG23 THR A 8 13.778 -0.528 9.823 1.00 0.00 H new ATOM 30 N MET A 9 16.453 -3.351 7.297 1.00 0.00 N ATOM 31 CA MET A 9 17.418 -4.384 7.708 1.00 0.00 C ATOM 32 C MET A 9 17.679 -5.269 6.513 1.00 0.00 C ATOM 33 O MET A 9 18.820 -5.596 6.174 1.00 0.00 O ATOM 34 CB MET A 9 16.872 -5.237 8.868 1.00 0.00 C ATOM 35 CG MET A 9 17.866 -6.263 9.410 1.00 0.00 C ATOM 36 SD MET A 9 17.191 -7.265 10.757 1.00 0.00 S ATOM 37 CE MET A 9 15.881 -8.156 9.914 1.00 0.00 C ATOM 0 H MET A 9 16.085 -3.486 6.355 1.00 0.00 H new ATOM 0 HA MET A 9 18.333 -3.905 8.055 1.00 0.00 H new ATOM 0 HB2 MET A 9 16.570 -4.576 9.680 1.00 0.00 H new ATOM 0 HB3 MET A 9 15.976 -5.758 8.531 1.00 0.00 H new ATOM 0 HG2 MET A 9 18.179 -6.920 8.599 1.00 0.00 H new ATOM 0 HG3 MET A 9 18.758 -5.745 9.763 1.00 0.00 H new ATOM 0 HE1 MET A 9 15.579 -9.014 10.515 1.00 0.00 H new ATOM 0 HE2 MET A 9 15.026 -7.495 9.769 1.00 0.00 H new ATOM 0 HE3 MET A 9 16.241 -8.501 8.945 1.00 0.00 H new ATOM 47 N GLY A 10 16.608 -5.640 5.881 1.00 0.00 N ATOM 48 CA GLY A 10 16.662 -6.400 4.682 1.00 0.00 C ATOM 49 C GLY A 10 15.528 -5.988 3.811 1.00 0.00 C ATOM 50 O GLY A 10 15.259 -4.789 3.674 1.00 0.00 O ATOM 0 H GLY A 10 15.662 -5.418 6.192 1.00 0.00 H new ATOM 0 HA2 GLY A 10 17.611 -6.236 4.172 1.00 0.00 H new ATOM 0 HA3 GLY A 10 16.601 -7.465 4.905 1.00 0.00 H new ATOM 54 N ASN A 11 14.826 -6.939 3.295 1.00 0.00 N ATOM 55 CA ASN A 11 13.671 -6.680 2.481 1.00 0.00 C ATOM 56 C ASN A 11 12.494 -6.602 3.395 1.00 0.00 C ATOM 57 O ASN A 11 11.877 -7.604 3.752 1.00 0.00 O ATOM 58 CB ASN A 11 13.483 -7.747 1.391 1.00 0.00 C ATOM 59 CG ASN A 11 14.594 -7.714 0.349 1.00 0.00 C ATOM 60 OD1 ASN A 11 14.492 -7.031 -0.670 1.00 0.00 O ATOM 61 ND2 ASN A 11 15.672 -8.412 0.607 1.00 0.00 N ATOM 0 H ASN A 11 15.033 -7.929 3.423 1.00 0.00 H new ATOM 0 HA ASN A 11 13.793 -5.740 1.944 1.00 0.00 H new ATOM 0 HB2 ASN A 11 13.451 -8.733 1.854 1.00 0.00 H new ATOM 0 HB3 ASN A 11 12.522 -7.595 0.899 1.00 0.00 H new ATOM 0 HD21 ASN A 11 16.456 -8.399 -0.045 1.00 0.00 H new ATOM 0 HD22 ASN A 11 15.727 -8.969 1.460 1.00 0.00 H new ATOM 68 N VAL A 12 12.253 -5.415 3.841 1.00 0.00 N ATOM 69 CA VAL A 12 11.286 -5.135 4.814 1.00 0.00 C ATOM 70 C VAL A 12 10.220 -4.298 4.206 1.00 0.00 C ATOM 71 O VAL A 12 10.478 -3.250 3.601 1.00 0.00 O ATOM 72 CB VAL A 12 11.903 -4.408 6.032 1.00 0.00 C ATOM 73 CG1 VAL A 12 10.831 -3.910 6.974 1.00 0.00 C ATOM 74 CG2 VAL A 12 12.827 -5.318 6.797 1.00 0.00 C ATOM 0 H VAL A 12 12.753 -4.588 3.515 1.00 0.00 H new ATOM 0 HA VAL A 12 10.866 -6.075 5.171 1.00 0.00 H new ATOM 0 HB VAL A 12 12.466 -3.560 5.641 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.296 -3.404 7.820 1.00 0.00 H new ATOM 0 HG12 VAL A 12 10.179 -3.213 6.448 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.243 -4.754 7.335 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.246 -4.780 7.647 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.271 -6.185 7.154 1.00 0.00 H new ATOM 0 HG23 VAL A 12 13.634 -5.649 6.144 1.00 0.00 H new ATOM 84 N THR A 13 9.079 -4.759 4.365 1.00 0.00 N ATOM 85 CA THR A 13 7.916 -4.183 3.889 1.00 0.00 C ATOM 86 C THR A 13 7.075 -3.793 5.085 1.00 0.00 C ATOM 87 O THR A 13 6.630 -4.649 5.875 1.00 0.00 O ATOM 88 CB THR A 13 7.236 -5.233 3.030 1.00 0.00 C ATOM 89 OG1 THR A 13 8.059 -5.520 1.875 1.00 0.00 O ATOM 90 CG2 THR A 13 5.816 -4.863 2.647 1.00 0.00 C ATOM 0 H THR A 13 8.910 -5.626 4.876 1.00 0.00 H new ATOM 0 HA THR A 13 8.087 -3.288 3.291 1.00 0.00 H new ATOM 0 HB THR A 13 7.137 -6.140 3.626 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.620 -6.199 1.321 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.387 -5.655 2.034 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.217 -4.737 3.549 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.823 -3.930 2.083 1.00 0.00 H new ATOM 98 N THR A 14 6.911 -2.532 5.246 1.00 0.00 N ATOM 99 CA THR A 14 6.216 -2.002 6.347 1.00 0.00 C ATOM 100 C THR A 14 4.724 -2.043 6.091 1.00 0.00 C ATOM 101 O THR A 14 4.247 -1.791 4.975 1.00 0.00 O ATOM 102 CB THR A 14 6.659 -0.565 6.607 1.00 0.00 C ATOM 103 OG1 THR A 14 8.100 -0.518 6.700 1.00 0.00 O ATOM 104 CG2 THR A 14 6.054 -0.020 7.902 1.00 0.00 C ATOM 0 H THR A 14 7.266 -1.828 4.599 1.00 0.00 H new ATOM 0 HA THR A 14 6.441 -2.606 7.226 1.00 0.00 H new ATOM 0 HB THR A 14 6.311 0.053 5.779 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.439 0.221 6.153 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.390 1.005 8.057 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.966 -0.039 7.832 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.374 -0.637 8.741 1.00 0.00 H new ATOM 112 N VAL A 15 4.025 -2.396 7.093 1.00 0.00 N ATOM 113 CA VAL A 15 2.619 -2.463 7.078 1.00 0.00 C ATOM 114 C VAL A 15 2.085 -1.463 8.048 1.00 0.00 C ATOM 115 O VAL A 15 2.663 -1.272 9.117 1.00 0.00 O ATOM 116 CB VAL A 15 2.149 -3.867 7.472 1.00 0.00 C ATOM 117 CG1 VAL A 15 0.652 -3.894 7.680 1.00 0.00 C ATOM 118 CG2 VAL A 15 2.528 -4.836 6.393 1.00 0.00 C ATOM 0 H VAL A 15 4.434 -2.659 7.989 1.00 0.00 H new ATOM 0 HA VAL A 15 2.254 -2.246 6.074 1.00 0.00 H new ATOM 0 HB VAL A 15 2.630 -4.148 8.409 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.342 -4.901 7.959 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.382 -3.198 8.474 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.151 -3.603 6.757 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.195 -5.837 6.669 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.054 -4.542 5.457 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.611 -4.835 6.267 1.00 0.00 H new ATOM 128 N LEU A 16 1.040 -0.807 7.682 1.00 0.00 N ATOM 129 CA LEU A 16 0.420 0.092 8.564 1.00 0.00 C ATOM 130 C LEU A 16 -1.034 -0.263 8.702 1.00 0.00 C ATOM 131 O LEU A 16 -1.794 -0.177 7.758 1.00 0.00 O ATOM 132 CB LEU A 16 0.535 1.510 8.091 1.00 0.00 C ATOM 133 CG LEU A 16 0.002 2.511 9.081 1.00 0.00 C ATOM 134 CD1 LEU A 16 0.970 2.717 10.210 1.00 0.00 C ATOM 135 CD2 LEU A 16 -0.328 3.782 8.414 1.00 0.00 C ATOM 0 H LEU A 16 0.600 -0.884 6.765 1.00 0.00 H new ATOM 0 HA LEU A 16 0.927 0.014 9.526 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.582 1.734 7.886 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.004 1.617 7.150 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.919 2.113 9.507 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.561 3.445 10.911 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.136 1.770 10.724 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.917 3.086 9.815 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.711 4.490 9.149 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.568 4.192 7.948 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.086 3.606 7.650 1.00 0.00 H new ATOM 147 N ILE A 17 -1.409 -0.613 9.866 1.00 0.00 N ATOM 148 CA ILE A 17 -2.761 -0.977 10.156 1.00 0.00 C ATOM 149 C ILE A 17 -3.456 0.231 10.759 1.00 0.00 C ATOM 150 O ILE A 17 -2.822 1.015 11.450 1.00 0.00 O ATOM 151 CB ILE A 17 -2.766 -2.212 11.136 1.00 0.00 C ATOM 152 CG1 ILE A 17 -3.298 -3.459 10.447 1.00 0.00 C ATOM 153 CG2 ILE A 17 -3.562 -1.955 12.402 1.00 0.00 C ATOM 154 CD1 ILE A 17 -4.764 -3.359 10.129 1.00 0.00 C ATOM 0 H ILE A 17 -0.783 -0.660 10.670 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.297 -1.272 9.254 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.726 -2.370 11.423 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.740 -3.627 9.526 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.126 -4.325 11.086 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.530 -2.840 13.038 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.132 -1.108 12.937 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.597 -1.732 12.142 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.093 -4.275 9.638 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.328 -3.219 11.051 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.936 -2.511 9.467 1.00 0.00 H new ATOM 166 N ARG A 18 -4.709 0.433 10.404 1.00 0.00 N ATOM 167 CA ARG A 18 -5.496 1.512 10.969 1.00 0.00 C ATOM 168 C ARG A 18 -6.580 0.893 11.780 1.00 0.00 C ATOM 169 O ARG A 18 -7.538 0.354 11.245 1.00 0.00 O ATOM 170 CB ARG A 18 -6.133 2.441 9.898 1.00 0.00 C ATOM 171 CG ARG A 18 -5.190 3.358 9.116 1.00 0.00 C ATOM 172 CD ARG A 18 -4.157 2.564 8.374 1.00 0.00 C ATOM 173 NE ARG A 18 -3.480 3.306 7.324 1.00 0.00 N ATOM 174 CZ ARG A 18 -3.121 2.754 6.156 1.00 0.00 C ATOM 175 NH1 ARG A 18 -3.634 1.571 5.787 1.00 0.00 N ATOM 176 NH2 ARG A 18 -2.341 3.414 5.316 1.00 0.00 N ATOM 0 H ARG A 18 -5.207 -0.140 9.723 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.832 2.139 11.564 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.666 1.815 9.182 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.878 3.065 10.392 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.764 3.961 8.412 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.699 4.049 9.801 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.414 2.201 9.084 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.634 1.688 7.935 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.268 4.291 7.483 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.298 1.091 6.395 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.361 1.151 4.898 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.009 4.348 5.555 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.071 2.989 4.429 1.00 0.00 H new ATOM 190 N ARG A 19 -6.405 0.912 13.042 1.00 0.00 N ATOM 191 CA ARG A 19 -7.358 0.344 13.928 1.00 0.00 C ATOM 192 C ARG A 19 -8.073 1.417 14.758 1.00 0.00 C ATOM 193 O ARG A 19 -7.514 1.926 15.696 1.00 0.00 O ATOM 194 CB ARG A 19 -6.661 -0.651 14.817 1.00 0.00 C ATOM 195 CG ARG A 19 -7.573 -1.320 15.789 1.00 0.00 C ATOM 196 CD ARG A 19 -6.860 -2.410 16.502 1.00 0.00 C ATOM 197 NE ARG A 19 -7.769 -3.237 17.252 1.00 0.00 N ATOM 198 CZ ARG A 19 -7.401 -4.269 17.976 1.00 0.00 C ATOM 199 NH1 ARG A 19 -6.144 -4.390 18.323 1.00 0.00 N ATOM 200 NH2 ARG A 19 -8.302 -5.142 18.412 1.00 0.00 N ATOM 0 H ARG A 19 -5.592 1.324 13.501 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.127 -0.161 13.343 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.184 -1.410 14.196 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.867 -0.143 15.365 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.947 -0.591 16.508 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.439 -1.725 15.265 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.319 -3.024 15.782 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.118 -1.981 17.175 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.762 -3.007 17.219 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.464 -3.688 18.031 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.845 -5.187 18.885 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.288 -5.014 18.185 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.008 -5.941 18.974 1.00 0.00 H new ATOM 214 N PRO A 20 -9.305 1.786 14.402 1.00 0.00 N ATOM 215 CA PRO A 20 -10.076 2.813 15.141 1.00 0.00 C ATOM 216 C PRO A 20 -10.304 2.475 16.635 1.00 0.00 C ATOM 217 O PRO A 20 -10.318 3.373 17.481 1.00 0.00 O ATOM 218 CB PRO A 20 -11.403 2.870 14.383 1.00 0.00 C ATOM 219 CG PRO A 20 -11.065 2.386 13.017 1.00 0.00 C ATOM 220 CD PRO A 20 -10.032 1.315 13.214 1.00 0.00 C ATOM 0 HA PRO A 20 -9.539 3.761 15.173 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.158 2.240 14.853 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.804 3.883 14.358 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -11.947 1.992 12.511 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.678 3.196 12.399 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.487 0.338 13.378 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.376 1.220 12.349 1.00 0.00 H new ATOM 228 N ASP A 21 -10.459 1.191 16.950 1.00 0.00 N ATOM 229 CA ASP A 21 -10.667 0.726 18.327 1.00 0.00 C ATOM 230 C ASP A 21 -10.536 -0.785 18.362 1.00 0.00 C ATOM 231 O ASP A 21 -10.378 -1.414 17.302 1.00 0.00 O ATOM 232 CB ASP A 21 -12.028 1.189 18.936 1.00 0.00 C ATOM 233 CG ASP A 21 -13.262 0.528 18.352 1.00 0.00 C ATOM 234 OD1 ASP A 21 -13.589 -0.588 18.778 1.00 0.00 O ATOM 235 OD2 ASP A 21 -13.961 1.141 17.507 1.00 0.00 O ATOM 0 H ASP A 21 -10.445 0.440 16.260 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.900 1.182 18.952 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.009 1.000 20.009 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.117 2.267 18.804 1.00 0.00 H new ATOM 240 N LEU A 22 -10.605 -1.375 19.545 1.00 0.00 N ATOM 241 CA LEU A 22 -10.370 -2.814 19.721 1.00 0.00 C ATOM 242 C LEU A 22 -11.384 -3.711 19.048 1.00 0.00 C ATOM 243 O LEU A 22 -11.097 -4.881 18.778 1.00 0.00 O ATOM 244 CB LEU A 22 -10.196 -3.171 21.182 1.00 0.00 C ATOM 245 CG LEU A 22 -8.999 -2.519 21.856 1.00 0.00 C ATOM 246 CD1 LEU A 22 -8.842 -3.031 23.255 1.00 0.00 C ATOM 247 CD2 LEU A 22 -7.754 -2.768 21.047 1.00 0.00 C ATOM 0 H LEU A 22 -10.824 -0.881 20.410 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.434 -3.011 19.198 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -11.099 -2.887 21.722 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.100 -4.253 21.269 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.165 -1.443 21.910 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.981 -2.554 23.723 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.740 -2.802 23.829 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.691 -4.110 23.233 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.902 -2.298 21.537 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.580 -3.841 20.968 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.878 -2.346 20.050 1.00 0.00 H new ATOM 259 N ARG A 23 -12.521 -3.169 18.713 1.00 0.00 N ATOM 260 CA ARG A 23 -13.554 -3.928 18.022 1.00 0.00 C ATOM 261 C ARG A 23 -13.208 -4.166 16.564 1.00 0.00 C ATOM 262 O ARG A 23 -13.816 -4.996 15.886 1.00 0.00 O ATOM 263 CB ARG A 23 -14.934 -3.316 18.224 1.00 0.00 C ATOM 264 CG ARG A 23 -15.456 -3.594 19.614 1.00 0.00 C ATOM 265 CD ARG A 23 -16.712 -2.819 19.958 1.00 0.00 C ATOM 266 NE ARG A 23 -17.299 -3.331 21.202 1.00 0.00 N ATOM 267 CZ ARG A 23 -16.802 -3.165 22.436 1.00 0.00 C ATOM 268 NH1 ARG A 23 -15.842 -2.272 22.666 1.00 0.00 N ATOM 269 NH2 ARG A 23 -17.315 -3.857 23.447 1.00 0.00 N ATOM 0 H ARG A 23 -12.768 -2.198 18.904 1.00 0.00 H new ATOM 0 HA ARG A 23 -13.594 -4.917 18.479 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -14.885 -2.240 18.059 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -15.626 -3.720 17.485 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -15.660 -4.660 19.710 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.680 -3.352 20.340 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.476 -1.760 20.067 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -17.434 -2.903 19.145 1.00 0.00 H new ATOM 0 HE ARG A 23 -18.166 -3.863 21.120 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -15.478 -1.706 21.900 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -15.471 -2.154 23.609 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.082 -4.509 23.282 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -16.942 -3.736 24.389 1.00 0.00 H new ATOM 283 N TYR A 24 -12.207 -3.468 16.089 1.00 0.00 N ATOM 284 CA TYR A 24 -11.709 -3.692 14.757 1.00 0.00 C ATOM 285 C TYR A 24 -10.494 -4.547 14.895 1.00 0.00 C ATOM 286 O TYR A 24 -9.437 -4.041 15.214 1.00 0.00 O ATOM 287 CB TYR A 24 -11.299 -2.394 14.062 1.00 0.00 C ATOM 288 CG TYR A 24 -12.396 -1.407 13.801 1.00 0.00 C ATOM 289 CD1 TYR A 24 -12.935 -0.667 14.825 1.00 0.00 C ATOM 290 CD2 TYR A 24 -12.850 -1.175 12.511 1.00 0.00 C ATOM 291 CE1 TYR A 24 -13.894 0.270 14.584 1.00 0.00 C ATOM 292 CE2 TYR A 24 -13.826 -0.235 12.265 1.00 0.00 C ATOM 293 CZ TYR A 24 -14.339 0.490 13.314 1.00 0.00 C ATOM 294 OH TYR A 24 -15.286 1.472 13.089 1.00 0.00 O ATOM 0 H TYR A 24 -11.720 -2.737 16.608 1.00 0.00 H new ATOM 0 HA TYR A 24 -12.494 -4.152 14.157 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -10.537 -1.906 14.670 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -10.833 -2.648 13.110 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -12.593 -0.830 15.836 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -12.433 -1.738 11.689 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.304 0.842 15.403 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -14.184 -0.069 11.260 1.00 0.00 H new ATOM 0 HH TYR A 24 -15.500 1.508 12.133 1.00 0.00 H new ATOM 304 N GLN A 25 -10.633 -5.830 14.752 1.00 0.00 N ATOM 305 CA GLN A 25 -9.487 -6.676 14.907 1.00 0.00 C ATOM 306 C GLN A 25 -8.706 -6.762 13.616 1.00 0.00 C ATOM 307 O GLN A 25 -9.279 -6.611 12.542 1.00 0.00 O ATOM 308 CB GLN A 25 -9.844 -8.037 15.494 1.00 0.00 C ATOM 309 CG GLN A 25 -10.413 -7.928 16.908 1.00 0.00 C ATOM 310 CD GLN A 25 -10.637 -9.268 17.566 1.00 0.00 C ATOM 311 OE1 GLN A 25 -11.708 -9.868 17.444 1.00 0.00 O ATOM 312 NE2 GLN A 25 -9.657 -9.738 18.283 1.00 0.00 N ATOM 0 H GLN A 25 -11.508 -6.307 14.533 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.827 -6.218 15.644 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.572 -8.529 14.849 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.955 -8.668 15.510 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.732 -7.339 17.522 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.358 -7.386 16.871 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -8.785 -9.214 18.361 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -9.761 -10.630 18.766 1.00 0.00 H new ATOM 321 N LEU A 26 -7.406 -7.002 13.765 1.00 0.00 N ATOM 322 CA LEU A 26 -6.392 -6.982 12.696 1.00 0.00 C ATOM 323 C LEU A 26 -6.907 -7.647 11.416 1.00 0.00 C ATOM 324 O LEU A 26 -6.980 -7.015 10.364 1.00 0.00 O ATOM 325 CB LEU A 26 -5.086 -7.704 13.152 1.00 0.00 C ATOM 326 CG LEU A 26 -4.433 -7.341 14.529 1.00 0.00 C ATOM 327 CD1 LEU A 26 -4.288 -5.844 14.752 1.00 0.00 C ATOM 328 CD2 LEU A 26 -5.118 -8.037 15.721 1.00 0.00 C ATOM 0 H LEU A 26 -7.004 -7.227 14.675 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.176 -5.934 12.487 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.294 -8.774 13.163 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.334 -7.533 12.381 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.420 -7.739 14.474 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.829 -5.664 15.724 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.659 -5.419 13.970 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.271 -5.375 14.722 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.621 -7.746 16.647 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.166 -7.740 15.763 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.052 -9.118 15.598 1.00 0.00 H new ATOM 340 N GLY A 27 -7.242 -8.909 11.507 1.00 0.00 N ATOM 341 CA GLY A 27 -7.801 -9.581 10.373 1.00 0.00 C ATOM 342 C GLY A 27 -6.862 -10.594 9.774 1.00 0.00 C ATOM 343 O GLY A 27 -7.222 -11.306 8.845 1.00 0.00 O ATOM 0 H GLY A 27 -7.138 -9.481 12.345 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.724 -10.079 10.670 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.066 -8.845 9.614 1.00 0.00 H new ATOM 347 N PHE A 28 -5.672 -10.678 10.290 1.00 0.00 N ATOM 348 CA PHE A 28 -4.731 -11.653 9.797 1.00 0.00 C ATOM 349 C PHE A 28 -4.380 -12.625 10.901 1.00 0.00 C ATOM 350 O PHE A 28 -4.541 -12.312 12.089 1.00 0.00 O ATOM 351 CB PHE A 28 -3.459 -11.001 9.194 1.00 0.00 C ATOM 352 CG PHE A 28 -2.592 -10.237 10.167 1.00 0.00 C ATOM 353 CD1 PHE A 28 -2.837 -8.906 10.443 1.00 0.00 C ATOM 354 CD2 PHE A 28 -1.524 -10.857 10.794 1.00 0.00 C ATOM 355 CE1 PHE A 28 -2.037 -8.205 11.320 1.00 0.00 C ATOM 356 CE2 PHE A 28 -0.724 -10.164 11.673 1.00 0.00 C ATOM 357 CZ PHE A 28 -0.983 -8.837 11.939 1.00 0.00 C ATOM 0 H PHE A 28 -5.326 -10.089 11.048 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.208 -12.195 8.981 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.855 -11.783 8.734 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.763 -10.323 8.397 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.667 -8.407 9.965 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.317 -11.897 10.590 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.237 -7.163 11.521 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.106 -10.660 12.154 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.359 -8.293 12.633 1.00 0.00 H new ATOM 367 N SER A 29 -3.945 -13.779 10.520 1.00 0.00 N ATOM 368 CA SER A 29 -3.546 -14.801 11.451 1.00 0.00 C ATOM 369 C SER A 29 -2.038 -14.927 11.382 1.00 0.00 C ATOM 370 O SER A 29 -1.471 -15.011 10.276 1.00 0.00 O ATOM 371 CB SER A 29 -4.216 -16.129 11.079 1.00 0.00 C ATOM 372 OG SER A 29 -3.915 -17.155 12.010 1.00 0.00 O ATOM 0 H SER A 29 -3.852 -14.051 9.541 1.00 0.00 H new ATOM 0 HA SER A 29 -3.851 -14.542 12.465 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.296 -15.989 11.030 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.889 -16.434 10.085 1.00 0.00 H new ATOM 0 HG SER A 29 -4.362 -17.984 11.739 1.00 0.00 H new ATOM 378 N VAL A 30 -1.382 -14.929 12.516 1.00 0.00 N ATOM 379 CA VAL A 30 0.043 -14.986 12.523 1.00 0.00 C ATOM 380 C VAL A 30 0.501 -16.195 13.342 1.00 0.00 C ATOM 381 O VAL A 30 -0.042 -16.482 14.413 1.00 0.00 O ATOM 382 CB VAL A 30 0.666 -13.637 13.074 1.00 0.00 C ATOM 383 CG1 VAL A 30 1.027 -13.666 14.555 1.00 0.00 C ATOM 384 CG2 VAL A 30 1.830 -13.181 12.243 1.00 0.00 C ATOM 0 H VAL A 30 -1.817 -14.892 13.438 1.00 0.00 H new ATOM 0 HA VAL A 30 0.400 -15.104 11.500 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.135 -12.904 12.983 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.446 -12.703 14.846 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.132 -13.865 15.144 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.762 -14.451 14.735 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.229 -12.253 12.653 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.606 -13.946 12.254 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.501 -13.012 11.218 1.00 0.00 H new ATOM 394 N GLN A 31 1.440 -16.930 12.816 1.00 0.00 N ATOM 395 CA GLN A 31 2.014 -18.024 13.536 1.00 0.00 C ATOM 396 C GLN A 31 3.505 -17.901 13.592 1.00 0.00 C ATOM 397 O GLN A 31 4.158 -17.739 12.582 1.00 0.00 O ATOM 398 CB GLN A 31 1.475 -19.423 13.111 1.00 0.00 C ATOM 399 CG GLN A 31 1.411 -19.775 11.615 1.00 0.00 C ATOM 400 CD GLN A 31 2.743 -20.037 10.930 1.00 0.00 C ATOM 401 OE1 GLN A 31 3.252 -21.163 10.963 1.00 0.00 O ATOM 402 NE2 GLN A 31 3.266 -19.055 10.236 1.00 0.00 N ATOM 0 H GLN A 31 1.825 -16.787 11.882 1.00 0.00 H new ATOM 0 HA GLN A 31 1.667 -17.953 14.567 1.00 0.00 H new ATOM 0 HB2 GLN A 31 2.093 -20.176 13.600 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.468 -19.525 13.516 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.785 -20.660 11.498 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.911 -18.960 11.092 1.00 0.00 H new ATOM 0 HE21 GLN A 31 2.818 -18.138 10.232 1.00 0.00 H new ATOM 0 HE22 GLN A 31 4.120 -19.208 9.700 1.00 0.00 H new ATOM 411 N ASN A 32 4.017 -17.832 14.814 1.00 0.00 N ATOM 412 CA ASN A 32 5.466 -17.647 15.107 1.00 0.00 C ATOM 413 C ASN A 32 5.951 -16.274 14.617 1.00 0.00 C ATOM 414 O ASN A 32 7.148 -15.999 14.568 1.00 0.00 O ATOM 415 CB ASN A 32 6.335 -18.766 14.478 1.00 0.00 C ATOM 416 CG ASN A 32 5.933 -20.174 14.893 1.00 0.00 C ATOM 417 OD1 ASN A 32 5.395 -20.400 15.986 1.00 0.00 O ATOM 418 ND2 ASN A 32 6.187 -21.123 14.026 1.00 0.00 N ATOM 0 H ASN A 32 3.444 -17.902 15.655 1.00 0.00 H new ATOM 0 HA ASN A 32 5.579 -17.703 16.190 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.277 -18.689 13.392 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.376 -18.601 14.754 1.00 0.00 H new ATOM 0 HD21 ASN A 32 5.940 -22.089 14.241 1.00 0.00 H new ATOM 0 HD22 ASN A 32 6.631 -20.896 13.137 1.00 0.00 H new ATOM 425 N GLY A 33 5.003 -15.407 14.285 1.00 0.00 N ATOM 426 CA GLY A 33 5.341 -14.112 13.761 1.00 0.00 C ATOM 427 C GLY A 33 5.173 -14.064 12.258 1.00 0.00 C ATOM 428 O GLY A 33 5.357 -13.033 11.644 1.00 0.00 O ATOM 0 H GLY A 33 4.003 -15.586 14.373 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.709 -13.354 14.224 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.371 -13.870 14.021 1.00 0.00 H new ATOM 432 N ILE A 34 4.797 -15.180 11.665 1.00 0.00 N ATOM 433 CA ILE A 34 4.630 -15.249 10.224 1.00 0.00 C ATOM 434 C ILE A 34 3.153 -15.333 9.867 1.00 0.00 C ATOM 435 O ILE A 34 2.431 -16.237 10.333 1.00 0.00 O ATOM 436 CB ILE A 34 5.416 -16.430 9.526 1.00 0.00 C ATOM 437 CG1 ILE A 34 6.951 -16.348 9.733 1.00 0.00 C ATOM 438 CG2 ILE A 34 5.124 -16.441 8.029 1.00 0.00 C ATOM 439 CD1 ILE A 34 7.455 -16.679 11.122 1.00 0.00 C ATOM 0 H ILE A 34 4.601 -16.052 12.157 1.00 0.00 H new ATOM 0 HA ILE A 34 5.067 -14.328 9.838 1.00 0.00 H new ATOM 0 HB ILE A 34 5.067 -17.349 9.997 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.429 -17.024 9.024 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.278 -15.339 9.481 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.670 -17.258 7.558 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.055 -16.579 7.868 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.438 -15.494 7.590 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.541 -16.588 11.146 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.017 -15.988 11.842 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.171 -17.699 11.379 1.00 0.00 H new ATOM 451 N ILE A 35 2.719 -14.372 9.091 1.00 0.00 N ATOM 452 CA ILE A 35 1.356 -14.252 8.606 1.00 0.00 C ATOM 453 C ILE A 35 0.982 -15.472 7.777 1.00 0.00 C ATOM 454 O ILE A 35 1.585 -15.734 6.724 1.00 0.00 O ATOM 455 CB ILE A 35 1.237 -12.977 7.762 1.00 0.00 C ATOM 456 CG1 ILE A 35 1.594 -11.778 8.646 1.00 0.00 C ATOM 457 CG2 ILE A 35 -0.183 -12.835 7.183 1.00 0.00 C ATOM 458 CD1 ILE A 35 1.917 -10.531 7.892 1.00 0.00 C ATOM 0 H ILE A 35 3.325 -13.619 8.764 1.00 0.00 H new ATOM 0 HA ILE A 35 0.672 -14.193 9.452 1.00 0.00 H new ATOM 0 HB ILE A 35 1.924 -13.026 6.917 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.760 -11.576 9.318 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.448 -12.043 9.269 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.244 -11.924 6.588 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.407 -13.696 6.552 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.905 -12.785 7.998 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.158 -9.733 8.594 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.772 -10.711 7.240 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.057 -10.237 7.290 1.00 0.00 H new ATOM 470 N CYS A 36 0.004 -16.197 8.253 1.00 0.00 N ATOM 471 CA CYS A 36 -0.399 -17.436 7.651 1.00 0.00 C ATOM 472 C CYS A 36 -1.610 -17.227 6.746 1.00 0.00 C ATOM 473 O CYS A 36 -1.649 -17.733 5.618 1.00 0.00 O ATOM 474 CB CYS A 36 -0.709 -18.444 8.759 1.00 0.00 C ATOM 475 SG CYS A 36 -0.979 -20.135 8.209 1.00 0.00 S ATOM 0 H CYS A 36 -0.539 -15.940 9.077 1.00 0.00 H new ATOM 0 HA CYS A 36 0.409 -17.821 7.029 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.115 -18.439 9.473 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.597 -18.108 9.295 1.00 0.00 H new ATOM 0 HG CYS A 36 -1.230 -20.891 9.237 1.00 0.00 H new ATOM 481 N SER A 37 -2.578 -16.463 7.224 1.00 0.00 N ATOM 482 CA SER A 37 -3.778 -16.187 6.467 1.00 0.00 C ATOM 483 C SER A 37 -4.219 -14.738 6.697 1.00 0.00 C ATOM 484 O SER A 37 -3.862 -14.130 7.727 1.00 0.00 O ATOM 485 CB SER A 37 -4.888 -17.192 6.839 1.00 0.00 C ATOM 486 OG SER A 37 -5.108 -17.231 8.249 1.00 0.00 O ATOM 0 H SER A 37 -2.551 -16.021 8.143 1.00 0.00 H new ATOM 0 HA SER A 37 -3.572 -16.307 5.403 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.813 -16.917 6.333 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.614 -18.186 6.485 1.00 0.00 H new ATOM 0 HG SER A 37 -5.818 -17.876 8.452 1.00 0.00 H new ATOM 492 N LEU A 38 -4.951 -14.185 5.748 1.00 0.00 N ATOM 493 CA LEU A 38 -5.403 -12.806 5.793 1.00 0.00 C ATOM 494 C LEU A 38 -6.898 -12.734 5.471 1.00 0.00 C ATOM 495 O LEU A 38 -7.411 -13.559 4.710 1.00 0.00 O ATOM 496 CB LEU A 38 -4.601 -11.987 4.750 1.00 0.00 C ATOM 497 CG LEU A 38 -4.950 -10.498 4.591 1.00 0.00 C ATOM 498 CD1 LEU A 38 -4.696 -9.760 5.869 1.00 0.00 C ATOM 499 CD2 LEU A 38 -4.140 -9.871 3.475 1.00 0.00 C ATOM 0 H LEU A 38 -5.253 -14.687 4.913 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.242 -12.398 6.791 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.544 -12.058 5.008 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.725 -12.466 3.779 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.009 -10.428 4.341 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.948 -8.708 5.738 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.311 -10.185 6.663 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.644 -9.850 6.138 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.404 -8.818 3.381 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.078 -9.960 3.702 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.355 -10.384 2.537 1.00 0.00 H new ATOM 511 N MET A 39 -7.600 -11.802 6.086 1.00 0.00 N ATOM 512 CA MET A 39 -8.992 -11.539 5.753 1.00 0.00 C ATOM 513 C MET A 39 -9.015 -10.481 4.663 1.00 0.00 C ATOM 514 O MET A 39 -8.638 -9.314 4.894 1.00 0.00 O ATOM 515 CB MET A 39 -9.778 -11.063 6.980 1.00 0.00 C ATOM 516 CG MET A 39 -11.258 -10.817 6.713 1.00 0.00 C ATOM 517 SD MET A 39 -12.129 -10.211 8.171 1.00 0.00 S ATOM 518 CE MET A 39 -13.787 -10.035 7.512 1.00 0.00 C ATOM 0 H MET A 39 -7.227 -11.208 6.826 1.00 0.00 H new ATOM 0 HA MET A 39 -9.468 -12.456 5.407 1.00 0.00 H new ATOM 0 HB2 MET A 39 -9.681 -11.806 7.771 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.329 -10.142 7.351 1.00 0.00 H new ATOM 0 HG2 MET A 39 -11.363 -10.094 5.904 1.00 0.00 H new ATOM 0 HG3 MET A 39 -11.722 -11.743 6.375 1.00 0.00 H new ATOM 0 HE1 MET A 39 -14.452 -9.667 8.293 1.00 0.00 H new ATOM 0 HE2 MET A 39 -13.776 -9.328 6.682 1.00 0.00 H new ATOM 0 HE3 MET A 39 -14.143 -11.003 7.159 1.00 0.00 H new ATOM 528 N ARG A 40 -9.438 -10.874 3.493 1.00 0.00 N ATOM 529 CA ARG A 40 -9.352 -10.028 2.341 1.00 0.00 C ATOM 530 C ARG A 40 -10.409 -8.958 2.385 1.00 0.00 C ATOM 531 O ARG A 40 -11.610 -9.245 2.508 1.00 0.00 O ATOM 532 CB ARG A 40 -9.462 -10.843 1.056 1.00 0.00 C ATOM 533 CG ARG A 40 -8.579 -10.313 -0.062 1.00 0.00 C ATOM 534 CD ARG A 40 -9.010 -8.969 -0.606 1.00 0.00 C ATOM 535 NE ARG A 40 -7.907 -8.330 -1.316 1.00 0.00 N ATOM 536 CZ ARG A 40 -8.007 -7.516 -2.360 1.00 0.00 C ATOM 537 NH1 ARG A 40 -9.192 -7.203 -2.861 1.00 0.00 N ATOM 538 NH2 ARG A 40 -6.908 -7.004 -2.889 1.00 0.00 N ATOM 0 H ARG A 40 -9.851 -11.789 3.314 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.376 -9.544 2.351 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.192 -11.878 1.265 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.499 -10.845 0.722 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.556 -10.233 0.305 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.570 -11.037 -0.877 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.858 -9.097 -1.279 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.344 -8.329 0.211 1.00 0.00 H new ATOM 0 HE ARG A 40 -6.966 -8.528 -0.977 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.040 -7.588 -2.445 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.257 -6.577 -3.663 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.996 -7.236 -2.495 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.972 -6.377 -3.691 1.00 0.00 H new ATOM 552 N GLY A 41 -9.956 -7.735 2.310 1.00 0.00 N ATOM 553 CA GLY A 41 -10.836 -6.614 2.308 1.00 0.00 C ATOM 554 C GLY A 41 -10.844 -5.922 3.646 1.00 0.00 C ATOM 555 O GLY A 41 -11.284 -4.778 3.773 1.00 0.00 O ATOM 0 H GLY A 41 -8.966 -7.496 2.249 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -10.530 -5.910 1.534 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.845 -6.942 2.060 1.00 0.00 H new ATOM 559 N GLY A 42 -10.317 -6.610 4.640 1.00 0.00 N ATOM 560 CA GLY A 42 -10.284 -6.083 5.977 1.00 0.00 C ATOM 561 C GLY A 42 -9.136 -5.126 6.166 1.00 0.00 C ATOM 562 O GLY A 42 -8.320 -4.931 5.236 1.00 0.00 O ATOM 0 H GLY A 42 -9.906 -7.538 4.539 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.223 -5.573 6.191 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.197 -6.903 6.690 1.00 0.00 H new ATOM 566 N ILE A 43 -9.042 -4.553 7.360 1.00 0.00 N ATOM 567 CA ILE A 43 -8.007 -3.577 7.689 1.00 0.00 C ATOM 568 C ILE A 43 -6.604 -4.066 7.411 1.00 0.00 C ATOM 569 O ILE A 43 -5.780 -3.309 6.954 1.00 0.00 O ATOM 570 CB ILE A 43 -8.100 -3.017 9.138 1.00 0.00 C ATOM 571 CG1 ILE A 43 -8.510 -4.092 10.158 1.00 0.00 C ATOM 572 CG2 ILE A 43 -9.001 -1.802 9.207 1.00 0.00 C ATOM 573 CD1 ILE A 43 -8.495 -3.596 11.595 1.00 0.00 C ATOM 0 H ILE A 43 -9.682 -4.751 8.129 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.215 -2.752 7.008 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.096 -2.696 9.416 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.510 -4.450 9.915 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.836 -4.944 10.068 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -9.043 -1.438 10.233 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.606 -1.019 8.560 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -10.004 -2.074 8.878 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.794 -4.404 12.262 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.490 -3.264 11.855 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.190 -2.763 11.700 1.00 0.00 H new ATOM 585 N ALA A 44 -6.343 -5.331 7.658 1.00 0.00 N ATOM 586 CA ALA A 44 -5.027 -5.884 7.434 1.00 0.00 C ATOM 587 C ALA A 44 -4.639 -5.858 5.946 1.00 0.00 C ATOM 588 O ALA A 44 -3.504 -5.525 5.606 1.00 0.00 O ATOM 589 CB ALA A 44 -4.951 -7.272 8.015 1.00 0.00 C ATOM 0 H ALA A 44 -7.028 -5.997 8.015 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.297 -5.258 7.947 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.957 -7.684 7.843 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.146 -7.229 9.087 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.695 -7.908 7.536 1.00 0.00 H new ATOM 595 N GLU A 45 -5.595 -6.143 5.071 1.00 0.00 N ATOM 596 CA GLU A 45 -5.353 -6.129 3.623 1.00 0.00 C ATOM 597 C GLU A 45 -4.999 -4.714 3.177 1.00 0.00 C ATOM 598 O GLU A 45 -4.007 -4.488 2.486 1.00 0.00 O ATOM 599 CB GLU A 45 -6.600 -6.636 2.873 1.00 0.00 C ATOM 600 CG GLU A 45 -6.540 -6.529 1.348 1.00 0.00 C ATOM 601 CD GLU A 45 -5.481 -7.398 0.697 1.00 0.00 C ATOM 602 OE1 GLU A 45 -5.792 -8.556 0.350 1.00 0.00 O ATOM 603 OE2 GLU A 45 -4.350 -6.924 0.468 1.00 0.00 O ATOM 0 H GLU A 45 -6.550 -6.388 5.334 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.519 -6.791 3.390 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.764 -7.680 3.140 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.467 -6.077 3.225 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.514 -6.798 0.939 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.356 -5.490 1.076 1.00 0.00 H new ATOM 610 N ARG A 46 -5.778 -3.762 3.645 1.00 0.00 N ATOM 611 CA ARG A 46 -5.566 -2.358 3.284 1.00 0.00 C ATOM 612 C ARG A 46 -4.379 -1.772 4.043 1.00 0.00 C ATOM 613 O ARG A 46 -3.830 -0.725 3.676 1.00 0.00 O ATOM 614 CB ARG A 46 -6.823 -1.535 3.515 1.00 0.00 C ATOM 615 CG ARG A 46 -7.997 -1.973 2.660 1.00 0.00 C ATOM 616 CD ARG A 46 -9.204 -1.090 2.893 1.00 0.00 C ATOM 617 NE ARG A 46 -10.353 -1.508 2.090 1.00 0.00 N ATOM 618 CZ ARG A 46 -11.604 -1.083 2.266 1.00 0.00 C ATOM 619 NH1 ARG A 46 -11.897 -0.234 3.254 1.00 0.00 N ATOM 620 NH2 ARG A 46 -12.556 -1.520 1.454 1.00 0.00 N ATOM 0 H ARG A 46 -6.564 -3.924 4.275 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.336 -2.319 2.219 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.104 -1.602 4.566 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.605 -0.487 3.310 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.716 -1.939 1.607 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.251 -3.008 2.889 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.472 -1.114 3.949 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.950 -0.058 2.652 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.184 -2.176 1.338 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.161 0.094 3.880 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.857 0.087 3.383 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.327 -2.174 0.705 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -13.517 -1.203 1.578 1.00 0.00 H new ATOM 634 N GLY A 47 -4.002 -2.457 5.099 1.00 0.00 N ATOM 635 CA GLY A 47 -2.850 -2.098 5.871 1.00 0.00 C ATOM 636 C GLY A 47 -1.579 -2.449 5.133 1.00 0.00 C ATOM 637 O GLY A 47 -0.537 -1.787 5.293 1.00 0.00 O ATOM 0 H GLY A 47 -4.493 -3.282 5.442 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.868 -1.029 6.085 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.874 -2.615 6.830 1.00 0.00 H new ATOM 641 N GLY A 48 -1.664 -3.481 4.312 1.00 0.00 N ATOM 642 CA GLY A 48 -0.536 -3.902 3.527 1.00 0.00 C ATOM 643 C GLY A 48 -0.002 -5.236 3.976 1.00 0.00 C ATOM 644 O GLY A 48 1.094 -5.644 3.565 1.00 0.00 O ATOM 0 H GLY A 48 -2.508 -4.038 4.177 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.827 -3.962 2.478 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.253 -3.154 3.596 1.00 0.00 H new ATOM 648 N VAL A 49 -0.768 -5.921 4.817 1.00 0.00 N ATOM 649 CA VAL A 49 -0.392 -7.213 5.351 1.00 0.00 C ATOM 650 C VAL A 49 -0.394 -8.241 4.231 1.00 0.00 C ATOM 651 O VAL A 49 -1.313 -8.280 3.415 1.00 0.00 O ATOM 652 CB VAL A 49 -1.379 -7.642 6.466 1.00 0.00 C ATOM 653 CG1 VAL A 49 -1.131 -9.053 6.941 1.00 0.00 C ATOM 654 CG2 VAL A 49 -1.312 -6.706 7.645 1.00 0.00 C ATOM 0 H VAL A 49 -1.674 -5.588 5.147 1.00 0.00 H new ATOM 0 HA VAL A 49 0.607 -7.146 5.781 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.373 -7.599 6.022 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.848 -9.305 7.722 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.246 -9.744 6.106 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.119 -9.130 7.339 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.016 -7.034 8.410 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.302 -6.710 8.055 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.569 -5.697 7.323 1.00 0.00 H new ATOM 664 N ARG A 50 0.638 -9.042 4.179 1.00 0.00 N ATOM 665 CA ARG A 50 0.790 -10.037 3.156 1.00 0.00 C ATOM 666 C ARG A 50 1.129 -11.348 3.771 1.00 0.00 C ATOM 667 O ARG A 50 1.880 -11.420 4.740 1.00 0.00 O ATOM 668 CB ARG A 50 1.845 -9.603 2.147 1.00 0.00 C ATOM 669 CG ARG A 50 1.409 -8.429 1.297 1.00 0.00 C ATOM 670 CD ARG A 50 0.350 -8.835 0.287 1.00 0.00 C ATOM 671 NE ARG A 50 -0.226 -7.688 -0.413 1.00 0.00 N ATOM 672 CZ ARG A 50 -0.135 -7.458 -1.725 1.00 0.00 C ATOM 673 NH1 ARG A 50 0.718 -8.141 -2.475 1.00 0.00 N ATOM 674 NH2 ARG A 50 -0.877 -6.519 -2.282 1.00 0.00 N ATOM 0 H ARG A 50 1.403 -9.020 4.853 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.152 -10.149 2.620 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.760 -9.339 2.678 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.085 -10.445 1.497 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.017 -7.640 1.939 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.272 -8.016 0.775 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.789 -9.517 -0.441 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.444 -9.381 0.797 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.740 -7.008 0.147 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.314 -8.852 -2.051 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.778 -7.956 -3.476 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.519 -5.970 -1.710 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.808 -6.342 -3.284 1.00 0.00 H new ATOM 688 N VAL A 51 0.588 -12.361 3.201 1.00 0.00 N ATOM 689 CA VAL A 51 0.721 -13.706 3.684 1.00 0.00 C ATOM 690 C VAL A 51 2.068 -14.278 3.279 1.00 0.00 C ATOM 691 O VAL A 51 2.510 -14.088 2.140 1.00 0.00 O ATOM 692 CB VAL A 51 -0.440 -14.554 3.138 1.00 0.00 C ATOM 693 CG1 VAL A 51 -0.215 -16.038 3.333 1.00 0.00 C ATOM 694 CG2 VAL A 51 -1.738 -14.139 3.799 1.00 0.00 C ATOM 0 H VAL A 51 0.020 -12.286 2.357 1.00 0.00 H new ATOM 0 HA VAL A 51 0.676 -13.716 4.773 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.494 -14.373 2.064 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.064 -16.591 2.930 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.694 -16.340 2.813 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.113 -16.254 4.397 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.556 -14.744 3.407 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.661 -14.287 4.876 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.933 -13.087 3.590 1.00 0.00 H new ATOM 704 N GLY A 52 2.712 -14.970 4.203 1.00 0.00 N ATOM 705 CA GLY A 52 4.038 -15.482 3.949 1.00 0.00 C ATOM 706 C GLY A 52 5.063 -14.472 4.373 1.00 0.00 C ATOM 707 O GLY A 52 6.185 -14.440 3.887 1.00 0.00 O ATOM 0 H GLY A 52 2.338 -15.186 5.127 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.188 -16.415 4.492 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.154 -15.708 2.889 1.00 0.00 H new ATOM 711 N HIS A 53 4.650 -13.611 5.261 1.00 0.00 N ATOM 712 CA HIS A 53 5.493 -12.564 5.770 1.00 0.00 C ATOM 713 C HIS A 53 5.747 -12.706 7.246 1.00 0.00 C ATOM 714 O HIS A 53 4.831 -12.958 8.016 1.00 0.00 O ATOM 715 CB HIS A 53 4.909 -11.182 5.476 1.00 0.00 C ATOM 716 CG HIS A 53 5.263 -10.619 4.135 1.00 0.00 C ATOM 717 ND1 HIS A 53 5.545 -9.280 3.926 1.00 0.00 N ATOM 718 CD2 HIS A 53 5.377 -11.214 2.931 1.00 0.00 C ATOM 719 CE1 HIS A 53 5.811 -9.093 2.652 1.00 0.00 C ATOM 720 NE2 HIS A 53 5.717 -10.249 2.031 1.00 0.00 N ATOM 0 H HIS A 53 3.710 -13.616 5.656 1.00 0.00 H new ATOM 0 HA HIS A 53 6.447 -12.661 5.251 1.00 0.00 H new ATOM 0 HB2 HIS A 53 3.823 -11.238 5.555 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.249 -10.489 6.246 1.00 0.00 H new ATOM 0 HD1 HIS A 53 5.546 -8.556 4.644 1.00 0.00 H new ATOM 0 HD2 HIS A 53 5.227 -12.262 2.719 1.00 0.00 H new ATOM 0 HE1 HIS A 53 6.064 -8.149 2.193 1.00 0.00 H new ATOM 729 N ARG A 54 6.995 -12.527 7.625 1.00 0.00 N ATOM 730 CA ARG A 54 7.400 -12.559 9.015 1.00 0.00 C ATOM 731 C ARG A 54 7.354 -11.149 9.527 1.00 0.00 C ATOM 732 O ARG A 54 7.986 -10.263 8.936 1.00 0.00 O ATOM 733 CB ARG A 54 8.851 -13.075 9.172 1.00 0.00 C ATOM 734 CG ARG A 54 9.341 -13.086 10.611 1.00 0.00 C ATOM 735 CD ARG A 54 10.868 -13.165 10.736 1.00 0.00 C ATOM 736 NE ARG A 54 11.511 -14.331 10.097 1.00 0.00 N ATOM 737 CZ ARG A 54 11.879 -15.451 10.748 1.00 0.00 C ATOM 738 NH1 ARG A 54 11.396 -15.730 11.959 1.00 0.00 N ATOM 739 NH2 ARG A 54 12.709 -16.312 10.170 1.00 0.00 N ATOM 0 H ARG A 54 7.761 -12.354 6.974 1.00 0.00 H new ATOM 0 HA ARG A 54 6.735 -13.226 9.564 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.914 -14.085 8.768 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.516 -12.451 8.575 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.989 -12.185 11.113 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.897 -13.935 11.131 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.295 -12.259 10.306 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.126 -13.168 11.795 1.00 0.00 H new ATOM 0 HE ARG A 54 11.689 -14.285 9.094 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.738 -15.091 12.405 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.684 -16.582 12.439 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.067 -16.125 9.234 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.988 -17.160 10.663 1.00 0.00 H new ATOM 753 N ILE A 55 6.602 -10.922 10.551 1.00 0.00 N ATOM 754 CA ILE A 55 6.566 -9.640 11.175 1.00 0.00 C ATOM 755 C ILE A 55 7.759 -9.519 12.087 1.00 0.00 C ATOM 756 O ILE A 55 8.024 -10.400 12.896 1.00 0.00 O ATOM 757 CB ILE A 55 5.298 -9.424 12.008 1.00 0.00 C ATOM 758 CG1 ILE A 55 4.060 -9.674 11.167 1.00 0.00 C ATOM 759 CG2 ILE A 55 5.276 -8.007 12.588 1.00 0.00 C ATOM 760 CD1 ILE A 55 2.804 -9.372 11.902 1.00 0.00 C ATOM 0 H ILE A 55 5.994 -11.620 10.980 1.00 0.00 H new ATOM 0 HA ILE A 55 6.577 -8.888 10.386 1.00 0.00 H new ATOM 0 HB ILE A 55 5.301 -10.136 12.834 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.107 -9.062 10.266 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.047 -10.715 10.845 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.369 -7.869 13.177 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.148 -7.861 13.225 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.295 -7.281 11.775 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.948 -9.567 11.256 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.741 -10.003 12.789 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.801 -8.324 12.201 1.00 0.00 H new ATOM 772 N ILE A 56 8.491 -8.471 11.925 1.00 0.00 N ATOM 773 CA ILE A 56 9.628 -8.245 12.727 1.00 0.00 C ATOM 774 C ILE A 56 9.412 -7.145 13.733 1.00 0.00 C ATOM 775 O ILE A 56 10.129 -7.061 14.723 1.00 0.00 O ATOM 776 CB ILE A 56 10.910 -8.004 11.917 1.00 0.00 C ATOM 777 CG1 ILE A 56 10.832 -6.717 11.136 1.00 0.00 C ATOM 778 CG2 ILE A 56 11.157 -9.171 10.967 1.00 0.00 C ATOM 779 CD1 ILE A 56 12.102 -6.401 10.435 1.00 0.00 C ATOM 0 H ILE A 56 8.311 -7.748 11.228 1.00 0.00 H new ATOM 0 HA ILE A 56 9.775 -9.175 13.275 1.00 0.00 H new ATOM 0 HB ILE A 56 11.740 -7.926 12.619 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.025 -6.787 10.406 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.581 -5.900 11.812 1.00 0.00 H new ATOM 0 HG21 ILE A 56 12.069 -8.990 10.397 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.265 -10.091 11.541 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.314 -9.267 10.282 1.00 0.00 H new ATOM 0 HD11 ILE A 56 11.992 -5.465 9.888 1.00 0.00 H new ATOM 0 HD12 ILE A 56 12.906 -6.303 11.165 1.00 0.00 H new ATOM 0 HD13 ILE A 56 12.342 -7.203 9.737 1.00 0.00 H new ATOM 791 N GLU A 57 8.389 -6.341 13.529 1.00 0.00 N ATOM 792 CA GLU A 57 8.170 -5.207 14.404 1.00 0.00 C ATOM 793 C GLU A 57 6.736 -4.840 14.383 1.00 0.00 C ATOM 794 O GLU A 57 6.089 -4.986 13.359 1.00 0.00 O ATOM 795 CB GLU A 57 9.007 -3.991 13.966 1.00 0.00 C ATOM 796 CG GLU A 57 8.874 -2.791 14.889 1.00 0.00 C ATOM 797 CD GLU A 57 9.551 -1.546 14.370 1.00 0.00 C ATOM 798 OE1 GLU A 57 10.798 -1.477 14.385 1.00 0.00 O ATOM 799 OE2 GLU A 57 8.851 -0.604 13.958 1.00 0.00 O ATOM 0 H GLU A 57 7.706 -6.448 12.779 1.00 0.00 H new ATOM 0 HA GLU A 57 8.476 -5.491 15.411 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.056 -4.283 13.914 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.707 -3.699 12.960 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.816 -2.580 15.045 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.296 -3.044 15.862 1.00 0.00 H new ATOM 806 N ILE A 58 6.246 -4.412 15.513 1.00 0.00 N ATOM 807 CA ILE A 58 4.902 -3.929 15.667 1.00 0.00 C ATOM 808 C ILE A 58 4.952 -2.725 16.574 1.00 0.00 C ATOM 809 O ILE A 58 5.555 -2.792 17.636 1.00 0.00 O ATOM 810 CB ILE A 58 4.002 -4.973 16.344 1.00 0.00 C ATOM 811 CG1 ILE A 58 3.911 -6.244 15.505 1.00 0.00 C ATOM 812 CG2 ILE A 58 2.600 -4.384 16.574 1.00 0.00 C ATOM 813 CD1 ILE A 58 3.411 -7.428 16.278 1.00 0.00 C ATOM 0 H ILE A 58 6.787 -4.389 16.378 1.00 0.00 H new ATOM 0 HA ILE A 58 4.498 -3.699 14.681 1.00 0.00 H new ATOM 0 HB ILE A 58 4.442 -5.236 17.306 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.249 -6.066 14.658 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.895 -6.474 15.097 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.966 -5.130 17.054 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.675 -3.505 17.214 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.163 -4.100 15.617 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.370 -8.299 15.624 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.086 -7.631 17.110 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.414 -7.216 16.663 1.00 0.00 H new ATOM 825 N ASN A 59 4.404 -1.617 16.118 1.00 0.00 N ATOM 826 CA ASN A 59 4.228 -0.373 16.913 1.00 0.00 C ATOM 827 C ASN A 59 5.588 0.263 17.324 1.00 0.00 C ATOM 828 O ASN A 59 5.647 1.259 18.046 1.00 0.00 O ATOM 829 CB ASN A 59 3.331 -0.674 18.145 1.00 0.00 C ATOM 830 CG ASN A 59 2.728 0.554 18.809 1.00 0.00 C ATOM 831 OD1 ASN A 59 3.283 1.127 19.743 1.00 0.00 O ATOM 832 ND2 ASN A 59 1.567 0.938 18.355 1.00 0.00 N ATOM 0 H ASN A 59 4.053 -1.533 15.164 1.00 0.00 H new ATOM 0 HA ASN A 59 3.732 0.370 16.289 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.523 -1.336 17.835 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.922 -1.216 18.883 1.00 0.00 H new ATOM 0 HD21 ASN A 59 1.093 1.736 18.777 1.00 0.00 H new ATOM 0 HD22 ASN A 59 1.133 0.440 17.578 1.00 0.00 H new ATOM 839 N GLY A 60 6.671 -0.289 16.811 1.00 0.00 N ATOM 840 CA GLY A 60 7.978 0.205 17.140 1.00 0.00 C ATOM 841 C GLY A 60 8.809 -0.803 17.893 1.00 0.00 C ATOM 842 O GLY A 60 10.025 -0.615 18.069 1.00 0.00 O ATOM 0 H GLY A 60 6.663 -1.079 16.166 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.497 0.486 16.224 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.880 1.109 17.740 1.00 0.00 H new ATOM 846 N GLN A 61 8.191 -1.879 18.310 1.00 0.00 N ATOM 847 CA GLN A 61 8.889 -2.885 19.062 1.00 0.00 C ATOM 848 C GLN A 61 9.107 -4.128 18.231 1.00 0.00 C ATOM 849 O GLN A 61 8.181 -4.634 17.590 1.00 0.00 O ATOM 850 CB GLN A 61 8.194 -3.165 20.413 1.00 0.00 C ATOM 851 CG GLN A 61 6.757 -3.648 20.321 1.00 0.00 C ATOM 852 CD GLN A 61 6.040 -3.591 21.647 1.00 0.00 C ATOM 853 OE1 GLN A 61 5.416 -2.575 21.978 1.00 0.00 O ATOM 854 NE2 GLN A 61 6.117 -4.650 22.419 1.00 0.00 N ATOM 0 H GLN A 61 7.205 -2.079 18.140 1.00 0.00 H new ATOM 0 HA GLN A 61 9.880 -2.505 19.311 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.776 -3.912 20.953 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.215 -2.252 21.009 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.219 -3.039 19.595 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.745 -4.673 19.949 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.641 -5.469 22.111 1.00 0.00 H new ATOM 0 HE22 GLN A 61 5.653 -4.654 23.327 1.00 0.00 H new ATOM 863 N SER A 62 10.355 -4.538 18.158 1.00 0.00 N ATOM 864 CA SER A 62 10.754 -5.733 17.465 1.00 0.00 C ATOM 865 C SER A 62 10.140 -6.924 18.178 1.00 0.00 C ATOM 866 O SER A 62 10.470 -7.204 19.340 1.00 0.00 O ATOM 867 CB SER A 62 12.289 -5.838 17.461 1.00 0.00 C ATOM 868 OG SER A 62 12.759 -6.950 16.699 1.00 0.00 O ATOM 0 H SER A 62 11.132 -4.037 18.589 1.00 0.00 H new ATOM 0 HA SER A 62 10.410 -5.709 16.431 1.00 0.00 H new ATOM 0 HB2 SER A 62 12.712 -4.919 17.055 1.00 0.00 H new ATOM 0 HB3 SER A 62 12.647 -5.928 18.487 1.00 0.00 H new ATOM 0 HG SER A 62 12.115 -7.157 15.990 1.00 0.00 H new ATOM 874 N VAL A 63 9.233 -7.595 17.515 1.00 0.00 N ATOM 875 CA VAL A 63 8.531 -8.700 18.095 1.00 0.00 C ATOM 876 C VAL A 63 8.962 -9.992 17.433 1.00 0.00 C ATOM 877 O VAL A 63 8.372 -11.039 17.647 1.00 0.00 O ATOM 878 CB VAL A 63 7.023 -8.500 17.914 1.00 0.00 C ATOM 879 CG1 VAL A 63 6.587 -7.190 18.587 1.00 0.00 C ATOM 880 CG2 VAL A 63 6.685 -8.484 16.425 1.00 0.00 C ATOM 0 H VAL A 63 8.963 -7.386 16.554 1.00 0.00 H new ATOM 0 HA VAL A 63 8.763 -8.754 19.159 1.00 0.00 H new ATOM 0 HB VAL A 63 6.485 -9.323 18.384 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.514 -7.053 18.455 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.819 -7.233 19.651 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.118 -6.353 18.133 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.612 -8.342 16.297 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.220 -7.668 15.939 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.982 -9.431 15.974 1.00 0.00 H new ATOM 890 N VAL A 64 10.039 -9.909 16.700 1.00 0.00 N ATOM 891 CA VAL A 64 10.518 -11.008 15.889 1.00 0.00 C ATOM 892 C VAL A 64 11.021 -12.202 16.737 1.00 0.00 C ATOM 893 O VAL A 64 11.158 -13.326 16.235 1.00 0.00 O ATOM 894 CB VAL A 64 11.603 -10.505 14.920 1.00 0.00 C ATOM 895 CG1 VAL A 64 12.928 -10.249 15.596 1.00 0.00 C ATOM 896 CG2 VAL A 64 11.720 -11.385 13.709 1.00 0.00 C ATOM 0 H VAL A 64 10.618 -9.071 16.645 1.00 0.00 H new ATOM 0 HA VAL A 64 9.675 -11.388 15.312 1.00 0.00 H new ATOM 0 HB VAL A 64 11.273 -9.529 14.564 1.00 0.00 H new ATOM 0 HG11 VAL A 64 13.650 -9.897 14.859 1.00 0.00 H new ATOM 0 HG12 VAL A 64 12.801 -9.493 16.371 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.291 -11.173 16.047 1.00 0.00 H new ATOM 0 HG21 VAL A 64 12.496 -10.996 13.050 1.00 0.00 H new ATOM 0 HG22 VAL A 64 11.980 -12.397 14.019 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.768 -11.402 13.178 1.00 0.00 H new ATOM 906 N ALA A 65 11.289 -11.946 18.003 1.00 0.00 N ATOM 907 CA ALA A 65 11.724 -12.966 18.930 1.00 0.00 C ATOM 908 C ALA A 65 10.865 -12.900 20.182 1.00 0.00 C ATOM 909 O ALA A 65 11.203 -13.458 21.232 1.00 0.00 O ATOM 910 CB ALA A 65 13.180 -12.749 19.277 1.00 0.00 C ATOM 0 H ALA A 65 11.210 -11.017 18.417 1.00 0.00 H new ATOM 0 HA ALA A 65 11.618 -13.951 18.476 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.506 -13.519 19.976 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.782 -12.804 18.370 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.302 -11.768 19.735 1.00 0.00 H new ATOM 916 N THR A 66 9.753 -12.233 20.055 1.00 0.00 N ATOM 917 CA THR A 66 8.824 -12.047 21.108 1.00 0.00 C ATOM 918 C THR A 66 7.900 -13.277 21.171 1.00 0.00 C ATOM 919 O THR A 66 7.608 -13.868 20.131 1.00 0.00 O ATOM 920 CB THR A 66 8.063 -10.744 20.786 1.00 0.00 C ATOM 921 OG1 THR A 66 8.991 -9.655 20.855 1.00 0.00 O ATOM 922 CG2 THR A 66 6.884 -10.463 21.690 1.00 0.00 C ATOM 0 H THR A 66 9.468 -11.792 19.180 1.00 0.00 H new ATOM 0 HA THR A 66 9.294 -11.955 22.087 1.00 0.00 H new ATOM 0 HB THR A 66 7.641 -10.863 19.788 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.560 -8.884 21.279 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.410 -9.528 21.390 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.163 -11.277 21.611 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.228 -10.381 22.721 1.00 0.00 H new ATOM 930 N PRO A 67 7.527 -13.739 22.396 1.00 0.00 N ATOM 931 CA PRO A 67 6.620 -14.878 22.576 1.00 0.00 C ATOM 932 C PRO A 67 5.358 -14.754 21.721 1.00 0.00 C ATOM 933 O PRO A 67 4.823 -13.653 21.546 1.00 0.00 O ATOM 934 CB PRO A 67 6.248 -14.811 24.053 1.00 0.00 C ATOM 935 CG PRO A 67 7.404 -14.150 24.709 1.00 0.00 C ATOM 936 CD PRO A 67 7.997 -13.207 23.693 1.00 0.00 C ATOM 0 HA PRO A 67 7.089 -15.816 22.277 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.330 -14.243 24.204 1.00 0.00 H new ATOM 0 HB3 PRO A 67 6.077 -15.806 24.463 1.00 0.00 H new ATOM 0 HG2 PRO A 67 7.086 -13.609 25.600 1.00 0.00 H new ATOM 0 HG3 PRO A 67 8.141 -14.887 25.029 1.00 0.00 H new ATOM 0 HD2 PRO A 67 7.657 -12.184 23.852 1.00 0.00 H new ATOM 0 HD3 PRO A 67 9.086 -13.193 23.748 1.00 0.00 H new ATOM 944 N HIS A 68 4.895 -15.886 21.224 1.00 0.00 N ATOM 945 CA HIS A 68 3.716 -15.999 20.357 1.00 0.00 C ATOM 946 C HIS A 68 2.518 -15.264 20.944 1.00 0.00 C ATOM 947 O HIS A 68 1.896 -14.451 20.265 1.00 0.00 O ATOM 948 CB HIS A 68 3.369 -17.492 20.176 1.00 0.00 C ATOM 949 CG HIS A 68 2.180 -17.781 19.304 1.00 0.00 C ATOM 950 ND1 HIS A 68 2.083 -17.926 17.971 1.00 0.00 N flip ATOM 951 CD2 HIS A 68 0.918 -17.978 19.794 1.00 0.00 C flip ATOM 952 CE1 HIS A 68 0.779 -18.208 17.682 1.00 0.00 C flip ATOM 953 NE2 HIS A 68 0.097 -18.226 18.808 1.00 0.00 N flip ATOM 0 H HIS A 68 5.337 -16.786 21.413 1.00 0.00 H new ATOM 0 HA HIS A 68 3.949 -15.542 19.395 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.237 -18.000 19.756 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.190 -17.927 21.159 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.642 -17.935 20.837 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.375 -18.386 16.696 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -0.904 -18.404 18.896 1.00 0.00 H new ATOM 962 N GLU A 69 2.218 -15.539 22.198 1.00 0.00 N ATOM 963 CA GLU A 69 1.070 -14.949 22.852 1.00 0.00 C ATOM 964 C GLU A 69 1.290 -13.472 23.043 1.00 0.00 C ATOM 965 O GLU A 69 0.338 -12.700 23.013 1.00 0.00 O ATOM 966 CB GLU A 69 0.802 -15.595 24.184 1.00 0.00 C ATOM 967 CG GLU A 69 -0.573 -15.282 24.743 1.00 0.00 C ATOM 968 CD GLU A 69 -0.779 -15.831 26.117 1.00 0.00 C ATOM 969 OE1 GLU A 69 -0.753 -17.065 26.288 1.00 0.00 O ATOM 970 OE2 GLU A 69 -0.969 -15.020 27.069 1.00 0.00 O ATOM 0 H GLU A 69 2.759 -16.172 22.787 1.00 0.00 H new ATOM 0 HA GLU A 69 0.202 -15.113 22.213 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.907 -16.675 24.083 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.559 -15.267 24.897 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.714 -14.201 24.764 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.333 -15.690 24.076 1.00 0.00 H new ATOM 977 N LYS A 70 2.550 -13.073 23.248 1.00 0.00 N ATOM 978 CA LYS A 70 2.858 -11.670 23.355 1.00 0.00 C ATOM 979 C LYS A 70 2.543 -10.965 22.092 1.00 0.00 C ATOM 980 O LYS A 70 1.782 -10.034 22.104 1.00 0.00 O ATOM 981 CB LYS A 70 4.289 -11.361 23.767 1.00 0.00 C ATOM 982 CG LYS A 70 4.503 -11.359 25.249 1.00 0.00 C ATOM 983 CD LYS A 70 5.543 -10.326 25.612 1.00 0.00 C ATOM 984 CE LYS A 70 5.721 -10.200 27.107 1.00 0.00 C ATOM 985 NZ LYS A 70 4.436 -10.071 27.826 1.00 0.00 N ATOM 0 H LYS A 70 3.350 -13.700 23.340 1.00 0.00 H new ATOM 0 HA LYS A 70 2.224 -11.307 24.164 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.955 -12.096 23.314 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.570 -10.387 23.367 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.566 -11.141 25.761 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.825 -12.346 25.581 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.495 -10.595 25.155 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.253 -9.360 25.199 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.255 -11.074 27.480 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.342 -9.331 27.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.569 -9.479 28.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.731 -9.630 27.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.102 -11.013 28.113 1.00 0.00 H new ATOM 999 N ILE A 71 3.082 -11.453 21.009 1.00 0.00 N ATOM 1000 CA ILE A 71 2.873 -10.875 19.685 1.00 0.00 C ATOM 1001 C ILE A 71 1.369 -10.661 19.425 1.00 0.00 C ATOM 1002 O ILE A 71 0.948 -9.592 18.966 1.00 0.00 O ATOM 1003 CB ILE A 71 3.472 -11.796 18.580 1.00 0.00 C ATOM 1004 CG1 ILE A 71 4.966 -12.021 18.815 1.00 0.00 C ATOM 1005 CG2 ILE A 71 3.247 -11.218 17.199 1.00 0.00 C ATOM 1006 CD1 ILE A 71 5.634 -12.902 17.773 1.00 0.00 C ATOM 0 H ILE A 71 3.688 -12.273 21.008 1.00 0.00 H new ATOM 0 HA ILE A 71 3.382 -9.912 19.652 1.00 0.00 H new ATOM 0 HB ILE A 71 2.956 -12.755 18.637 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.469 -11.054 18.834 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.104 -12.471 19.798 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.677 -11.884 16.451 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.177 -11.112 17.019 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.725 -10.241 17.131 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.692 -13.011 18.013 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.160 -13.883 17.768 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.531 -12.444 16.789 1.00 0.00 H new ATOM 1018 N VAL A 72 0.567 -11.639 19.818 1.00 0.00 N ATOM 1019 CA VAL A 72 -0.869 -11.541 19.654 1.00 0.00 C ATOM 1020 C VAL A 72 -1.463 -10.534 20.666 1.00 0.00 C ATOM 1021 O VAL A 72 -2.344 -9.756 20.328 1.00 0.00 O ATOM 1022 CB VAL A 72 -1.542 -12.932 19.798 1.00 0.00 C ATOM 1023 CG1 VAL A 72 -3.051 -12.844 19.635 1.00 0.00 C ATOM 1024 CG2 VAL A 72 -0.967 -13.900 18.778 1.00 0.00 C ATOM 0 H VAL A 72 0.888 -12.505 20.251 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.072 -11.175 18.647 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.334 -13.298 20.803 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.487 -13.837 19.742 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.461 -12.183 20.398 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.288 -12.448 18.647 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.447 -14.873 18.889 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.147 -13.519 17.773 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.106 -14.004 18.940 1.00 0.00 H new ATOM 1034 N HIS A 73 -0.916 -10.516 21.875 1.00 0.00 N ATOM 1035 CA HIS A 73 -1.371 -9.637 22.957 1.00 0.00 C ATOM 1036 C HIS A 73 -1.113 -8.188 22.579 1.00 0.00 C ATOM 1037 O HIS A 73 -1.980 -7.328 22.772 1.00 0.00 O ATOM 1038 CB HIS A 73 -0.639 -9.987 24.288 1.00 0.00 C ATOM 1039 CG HIS A 73 -1.080 -9.207 25.512 1.00 0.00 C ATOM 1040 ND1 HIS A 73 -1.690 -9.795 26.592 1.00 0.00 N ATOM 1041 CD2 HIS A 73 -0.951 -7.893 25.834 1.00 0.00 C ATOM 1042 CE1 HIS A 73 -1.921 -8.887 27.512 1.00 0.00 C ATOM 1043 NE2 HIS A 73 -1.483 -7.727 27.076 1.00 0.00 N ATOM 0 H HIS A 73 -0.135 -11.116 22.140 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.441 -9.783 23.107 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.779 -11.049 24.488 1.00 0.00 H new ATOM 0 HB3 HIS A 73 0.430 -9.827 24.145 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -0.509 -7.123 25.219 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -2.392 -9.064 28.468 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -1.534 -6.845 27.586 1.00 0.00 H new ATOM 1052 N ILE A 74 0.081 -7.926 22.055 1.00 0.00 N ATOM 1053 CA ILE A 74 0.458 -6.615 21.613 1.00 0.00 C ATOM 1054 C ILE A 74 -0.495 -6.159 20.491 1.00 0.00 C ATOM 1055 O ILE A 74 -1.087 -5.086 20.580 1.00 0.00 O ATOM 1056 CB ILE A 74 1.983 -6.527 21.163 1.00 0.00 C ATOM 1057 CG1 ILE A 74 2.991 -6.483 22.365 1.00 0.00 C ATOM 1058 CG2 ILE A 74 2.227 -5.346 20.250 1.00 0.00 C ATOM 1059 CD1 ILE A 74 3.232 -7.780 23.108 1.00 0.00 C ATOM 0 H ILE A 74 0.808 -8.631 21.931 1.00 0.00 H new ATOM 0 HA ILE A 74 0.366 -5.936 22.460 1.00 0.00 H new ATOM 0 HB ILE A 74 2.172 -7.451 20.617 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.950 -6.124 21.990 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.632 -5.744 23.081 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.278 -5.319 19.964 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.610 -5.443 19.357 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.969 -4.424 20.771 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.947 -7.611 23.913 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.292 -8.139 23.527 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.630 -8.525 22.419 1.00 0.00 H new ATOM 1071 N LEU A 75 -0.699 -7.020 19.493 1.00 0.00 N ATOM 1072 CA LEU A 75 -1.597 -6.704 18.372 1.00 0.00 C ATOM 1073 C LEU A 75 -3.030 -6.492 18.822 1.00 0.00 C ATOM 1074 O LEU A 75 -3.673 -5.542 18.416 1.00 0.00 O ATOM 1075 CB LEU A 75 -1.554 -7.793 17.302 1.00 0.00 C ATOM 1076 CG LEU A 75 -0.290 -7.860 16.469 1.00 0.00 C ATOM 1077 CD1 LEU A 75 -0.343 -9.052 15.530 1.00 0.00 C ATOM 1078 CD2 LEU A 75 -0.118 -6.565 15.679 1.00 0.00 C ATOM 0 H LEU A 75 -0.259 -7.938 19.434 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.234 -5.768 17.947 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.696 -8.758 17.789 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.400 -7.648 16.630 1.00 0.00 H new ATOM 0 HG LEU A 75 0.566 -7.982 17.133 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.571 -9.089 14.937 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.436 -9.969 16.111 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.202 -8.955 14.866 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.793 -6.621 15.083 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.975 -6.424 15.020 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.049 -5.724 16.369 1.00 0.00 H new ATOM 1090 N SER A 76 -3.502 -7.370 19.668 1.00 0.00 N ATOM 1091 CA SER A 76 -4.858 -7.347 20.174 1.00 0.00 C ATOM 1092 C SER A 76 -5.159 -6.061 20.974 1.00 0.00 C ATOM 1093 O SER A 76 -6.291 -5.606 20.996 1.00 0.00 O ATOM 1094 CB SER A 76 -5.137 -8.610 21.026 1.00 0.00 C ATOM 1095 OG SER A 76 -6.513 -8.722 21.374 1.00 0.00 O ATOM 0 H SER A 76 -2.944 -8.141 20.036 1.00 0.00 H new ATOM 0 HA SER A 76 -5.529 -7.349 19.315 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.829 -9.497 20.472 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.534 -8.576 21.934 1.00 0.00 H new ATOM 0 HG SER A 76 -6.650 -9.531 21.910 1.00 0.00 H new ATOM 1101 N ASN A 77 -4.147 -5.456 21.572 1.00 0.00 N ATOM 1102 CA ASN A 77 -4.375 -4.278 22.416 1.00 0.00 C ATOM 1103 C ASN A 77 -4.004 -2.969 21.747 1.00 0.00 C ATOM 1104 O ASN A 77 -4.388 -1.899 22.224 1.00 0.00 O ATOM 1105 CB ASN A 77 -3.666 -4.415 23.773 1.00 0.00 C ATOM 1106 CG ASN A 77 -4.358 -5.406 24.689 1.00 0.00 C ATOM 1107 OD1 ASN A 77 -5.205 -5.030 25.502 1.00 0.00 O ATOM 1108 ND2 ASN A 77 -4.026 -6.662 24.561 1.00 0.00 N ATOM 0 H ASN A 77 -3.173 -5.748 21.496 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.451 -4.242 22.583 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.636 -4.732 23.611 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.627 -3.440 24.260 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -4.472 -7.369 25.145 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -3.321 -6.936 23.877 1.00 0.00 H new ATOM 1115 N ALA A 78 -3.297 -3.034 20.649 1.00 0.00 N ATOM 1116 CA ALA A 78 -2.858 -1.826 19.986 1.00 0.00 C ATOM 1117 C ALA A 78 -3.878 -1.363 18.969 1.00 0.00 C ATOM 1118 O ALA A 78 -4.418 -2.176 18.219 1.00 0.00 O ATOM 1119 CB ALA A 78 -1.479 -2.022 19.337 1.00 0.00 C ATOM 0 H ALA A 78 -3.013 -3.902 20.195 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.763 -1.046 20.741 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.173 -1.098 18.846 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.750 -2.284 20.104 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.534 -2.824 18.600 1.00 0.00 H new ATOM 1125 N VAL A 79 -4.172 -0.064 18.971 1.00 0.00 N ATOM 1126 CA VAL A 79 -5.074 0.529 17.989 1.00 0.00 C ATOM 1127 C VAL A 79 -4.388 1.758 17.334 1.00 0.00 C ATOM 1128 O VAL A 79 -3.284 2.153 17.748 1.00 0.00 O ATOM 1129 CB VAL A 79 -6.484 0.937 18.593 1.00 0.00 C ATOM 1130 CG1 VAL A 79 -6.958 -0.013 19.610 1.00 0.00 C ATOM 1131 CG2 VAL A 79 -6.585 2.350 19.084 1.00 0.00 C ATOM 0 H VAL A 79 -3.795 0.600 19.647 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.278 -0.235 17.238 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.154 0.884 17.735 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.926 0.314 19.990 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.058 -1.003 19.165 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.242 -0.055 20.431 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.586 2.528 19.477 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.851 2.514 19.873 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.391 3.036 18.260 1.00 0.00 H new ATOM 1141 N GLY A 80 -5.035 2.354 16.367 1.00 0.00 N ATOM 1142 CA GLY A 80 -4.502 3.480 15.661 1.00 0.00 C ATOM 1143 C GLY A 80 -3.724 3.028 14.472 1.00 0.00 C ATOM 1144 O GLY A 80 -3.942 1.917 13.978 1.00 0.00 O ATOM 0 H GLY A 80 -5.959 2.064 16.047 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.313 4.136 15.345 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -3.861 4.062 16.323 1.00 0.00 H new ATOM 1148 N GLU A 81 -2.867 3.879 13.991 1.00 0.00 N ATOM 1149 CA GLU A 81 -1.956 3.551 12.950 1.00 0.00 C ATOM 1150 C GLU A 81 -0.798 2.782 13.546 1.00 0.00 C ATOM 1151 O GLU A 81 -0.019 3.307 14.343 1.00 0.00 O ATOM 1152 CB GLU A 81 -1.498 4.814 12.256 1.00 0.00 C ATOM 1153 CG GLU A 81 -2.598 5.467 11.468 1.00 0.00 C ATOM 1154 CD GLU A 81 -2.150 6.717 10.805 1.00 0.00 C ATOM 1155 OE1 GLU A 81 -1.468 6.635 9.770 1.00 0.00 O ATOM 1156 OE2 GLU A 81 -2.480 7.812 11.290 1.00 0.00 O ATOM 0 H GLU A 81 -2.785 4.840 14.323 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.437 2.924 12.199 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.121 5.517 12.999 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.668 4.578 11.590 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.965 4.770 10.715 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.434 5.689 12.131 1.00 0.00 H new ATOM 1163 N ILE A 82 -0.708 1.549 13.173 1.00 0.00 N ATOM 1164 CA ILE A 82 0.241 0.626 13.750 1.00 0.00 C ATOM 1165 C ILE A 82 1.229 0.186 12.698 1.00 0.00 C ATOM 1166 O ILE A 82 0.837 -0.390 11.677 1.00 0.00 O ATOM 1167 CB ILE A 82 -0.514 -0.616 14.303 1.00 0.00 C ATOM 1168 CG1 ILE A 82 -1.575 -0.167 15.321 1.00 0.00 C ATOM 1169 CG2 ILE A 82 0.467 -1.592 14.958 1.00 0.00 C ATOM 1170 CD1 ILE A 82 -2.562 -1.241 15.712 1.00 0.00 C ATOM 0 H ILE A 82 -1.296 1.138 12.448 1.00 0.00 H new ATOM 0 HA ILE A 82 0.775 1.120 14.562 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.006 -1.127 13.475 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.071 0.190 16.219 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.123 0.679 14.906 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.079 -2.455 15.339 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.199 -1.922 14.221 1.00 0.00 H new ATOM 0 HG23 ILE A 82 0.980 -1.095 15.781 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.273 -0.837 16.433 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.098 -1.583 14.826 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.029 -2.080 16.160 1.00 0.00 H new ATOM 1182 N HIS A 83 2.492 0.487 12.926 1.00 0.00 N ATOM 1183 CA HIS A 83 3.546 0.075 12.017 1.00 0.00 C ATOM 1184 C HIS A 83 3.892 -1.337 12.312 1.00 0.00 C ATOM 1185 O HIS A 83 3.991 -1.727 13.472 1.00 0.00 O ATOM 1186 CB HIS A 83 4.867 0.857 12.207 1.00 0.00 C ATOM 1187 CG HIS A 83 4.822 2.335 12.097 1.00 0.00 C ATOM 1188 ND1 HIS A 83 4.279 3.141 11.182 1.00 0.00 N flip ATOM 1189 CD2 HIS A 83 5.464 3.151 12.987 1.00 0.00 C flip ATOM 1190 CE1 HIS A 83 4.595 4.419 11.536 1.00 0.00 C flip ATOM 1191 NE2 HIS A 83 5.310 4.396 12.631 1.00 0.00 N flip ATOM 0 H HIS A 83 2.815 1.017 13.735 1.00 0.00 H new ATOM 0 HA HIS A 83 3.163 0.247 11.011 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.265 0.607 13.191 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.582 0.489 11.471 1.00 0.00 H new ATOM 0 HD2 HIS A 83 6.015 2.815 13.853 1.00 0.00 H new ATOM 0 HE1 HIS A 83 4.302 5.308 10.998 1.00 0.00 H new ATOM 0 HE2 HIS A 83 5.682 5.210 13.121 1.00 0.00 H new ATOM 1200 N MET A 84 4.040 -2.094 11.312 1.00 0.00 N ATOM 1201 CA MET A 84 4.595 -3.383 11.439 1.00 0.00 C ATOM 1202 C MET A 84 5.602 -3.519 10.364 1.00 0.00 C ATOM 1203 O MET A 84 5.463 -2.918 9.310 1.00 0.00 O ATOM 1204 CB MET A 84 3.590 -4.490 11.277 1.00 0.00 C ATOM 1205 CG MET A 84 2.395 -4.470 12.202 1.00 0.00 C ATOM 1206 SD MET A 84 1.416 -5.957 12.006 1.00 0.00 S ATOM 1207 CE MET A 84 1.489 -6.120 10.228 1.00 0.00 C ATOM 0 H MET A 84 3.777 -1.839 10.360 1.00 0.00 H new ATOM 0 HA MET A 84 5.009 -3.477 12.443 1.00 0.00 H new ATOM 0 HB2 MET A 84 3.225 -4.469 10.250 1.00 0.00 H new ATOM 0 HB3 MET A 84 4.107 -5.440 11.412 1.00 0.00 H new ATOM 0 HG2 MET A 84 2.731 -4.383 13.235 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.781 -3.594 11.992 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.727 -6.825 9.896 1.00 0.00 H new ATOM 0 HE2 MET A 84 1.310 -5.149 9.766 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.474 -6.485 9.936 1.00 0.00 H new ATOM 1217 N LYS A 85 6.584 -4.280 10.588 1.00 0.00 N ATOM 1218 CA LYS A 85 7.595 -4.476 9.608 1.00 0.00 C ATOM 1219 C LYS A 85 7.562 -5.902 9.264 1.00 0.00 C ATOM 1220 O LYS A 85 7.674 -6.737 10.132 1.00 0.00 O ATOM 1221 CB LYS A 85 8.960 -4.114 10.151 1.00 0.00 C ATOM 1222 CG LYS A 85 9.158 -2.679 10.516 1.00 0.00 C ATOM 1223 CD LYS A 85 9.258 -1.812 9.301 1.00 0.00 C ATOM 1224 CE LYS A 85 9.890 -0.511 9.656 1.00 0.00 C ATOM 1225 NZ LYS A 85 10.011 0.393 8.503 1.00 0.00 N ATOM 0 H LYS A 85 6.726 -4.796 11.457 1.00 0.00 H new ATOM 0 HA LYS A 85 7.415 -3.842 8.740 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.151 -4.723 11.034 1.00 0.00 H new ATOM 0 HB3 LYS A 85 9.709 -4.386 9.408 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.328 -2.343 11.137 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.064 -2.576 11.113 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.846 -2.314 8.533 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.266 -1.642 8.882 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.300 -0.025 10.433 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.880 -0.694 10.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.061 1.377 8.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.875 0.163 7.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.183 0.279 7.884 1.00 0.00 H new ATOM 1239 N THR A 86 7.346 -6.190 8.052 1.00 0.00 N ATOM 1240 CA THR A 86 7.261 -7.548 7.643 1.00 0.00 C ATOM 1241 C THR A 86 8.285 -7.842 6.560 1.00 0.00 C ATOM 1242 O THR A 86 8.612 -6.979 5.766 1.00 0.00 O ATOM 1243 CB THR A 86 5.835 -7.905 7.141 1.00 0.00 C ATOM 1244 OG1 THR A 86 5.537 -7.226 5.902 1.00 0.00 O ATOM 1245 CG2 THR A 86 4.783 -7.522 8.172 1.00 0.00 C ATOM 0 H THR A 86 7.221 -5.505 7.306 1.00 0.00 H new ATOM 0 HA THR A 86 7.475 -8.168 8.514 1.00 0.00 H new ATOM 0 HB THR A 86 5.812 -8.983 6.980 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.942 -6.334 5.912 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.794 -7.782 7.796 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.971 -8.060 9.101 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.830 -6.449 8.358 1.00 0.00 H new ATOM 1253 N MET A 87 8.805 -9.034 6.556 1.00 0.00 N ATOM 1254 CA MET A 87 9.743 -9.466 5.530 1.00 0.00 C ATOM 1255 C MET A 87 9.110 -10.658 4.863 1.00 0.00 C ATOM 1256 O MET A 87 8.144 -11.172 5.411 1.00 0.00 O ATOM 1257 CB MET A 87 11.082 -9.885 6.163 1.00 0.00 C ATOM 1258 CG MET A 87 11.745 -8.806 6.985 1.00 0.00 C ATOM 1259 SD MET A 87 13.414 -9.247 7.517 1.00 0.00 S ATOM 1260 CE MET A 87 13.103 -10.758 8.428 1.00 0.00 C ATOM 0 H MET A 87 8.599 -9.744 7.259 1.00 0.00 H new ATOM 0 HA MET A 87 9.947 -8.661 4.824 1.00 0.00 H new ATOM 0 HB2 MET A 87 10.914 -10.756 6.796 1.00 0.00 H new ATOM 0 HB3 MET A 87 11.764 -10.193 5.371 1.00 0.00 H new ATOM 0 HG2 MET A 87 11.787 -7.887 6.401 1.00 0.00 H new ATOM 0 HG3 MET A 87 11.133 -8.598 7.863 1.00 0.00 H new ATOM 0 HE1 MET A 87 13.810 -10.837 9.253 1.00 0.00 H new ATOM 0 HE2 MET A 87 12.087 -10.743 8.821 1.00 0.00 H new ATOM 0 HE3 MET A 87 13.222 -11.614 7.764 1.00 0.00 H new ATOM 1270 N PRO A 88 9.616 -11.156 3.704 1.00 0.00 N ATOM 1271 CA PRO A 88 9.073 -12.386 3.019 1.00 0.00 C ATOM 1272 C PRO A 88 9.338 -13.691 3.829 1.00 0.00 C ATOM 1273 O PRO A 88 9.511 -14.773 3.274 1.00 0.00 O ATOM 1274 CB PRO A 88 9.849 -12.413 1.689 1.00 0.00 C ATOM 1275 CG PRO A 88 10.376 -11.030 1.524 1.00 0.00 C ATOM 1276 CD PRO A 88 10.706 -10.563 2.903 1.00 0.00 C ATOM 0 HA PRO A 88 7.990 -12.344 2.904 1.00 0.00 H new ATOM 0 HB2 PRO A 88 10.658 -13.143 1.718 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.200 -12.690 0.858 1.00 0.00 H new ATOM 0 HG2 PRO A 88 11.258 -11.020 0.884 1.00 0.00 H new ATOM 0 HG3 PRO A 88 9.636 -10.381 1.056 1.00 0.00 H new ATOM 0 HD2 PRO A 88 11.686 -10.913 3.227 1.00 0.00 H new ATOM 0 HD3 PRO A 88 10.717 -9.475 2.973 1.00 0.00 H new ATOM 1284 N ALA A 89 9.339 -13.538 5.144 1.00 0.00 N ATOM 1285 CA ALA A 89 9.507 -14.581 6.129 1.00 0.00 C ATOM 1286 C ALA A 89 10.881 -15.191 6.125 1.00 0.00 C ATOM 1287 O ALA A 89 11.069 -16.324 6.533 1.00 0.00 O ATOM 1288 CB ALA A 89 8.398 -15.604 6.075 1.00 0.00 C ATOM 0 H ALA A 89 9.214 -12.621 5.573 1.00 0.00 H new ATOM 0 HA ALA A 89 9.422 -14.094 7.100 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.569 -16.367 6.834 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.442 -15.115 6.262 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.381 -16.070 5.090 1.00 0.00 H new ATOM 1294 N ALA A 90 11.837 -14.409 5.706 1.00 0.00 N ATOM 1295 CA ALA A 90 13.215 -14.789 5.769 1.00 0.00 C ATOM 1296 C ALA A 90 13.598 -14.898 7.234 1.00 0.00 C ATOM 1297 O ALA A 90 13.842 -16.016 7.712 1.00 0.00 O ATOM 1298 CB ALA A 90 14.081 -13.756 5.060 1.00 0.00 C ATOM 1299 OXT ALA A 90 13.543 -13.875 7.933 1.00 0.00 O ATOM 0 H ALA A 90 11.677 -13.483 5.309 1.00 0.00 H new ATOM 0 HA ALA A 90 13.371 -15.745 5.270 1.00 0.00 H new ATOM 0 HB1 ALA A 90 15.127 -14.058 5.116 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.779 -13.684 4.015 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.957 -12.786 5.541 1.00 0.00 H new TER 1305 ALA A 90