USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 792 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 65 GLN : amide:sc= 0.716 X(o=1.6,f=1.7) USER MOD Set 1.2: A 70 SER OG : rot 180:sc= 0.85 USER MOD Set 2.1: A 4 GLN : amide:sc= -3.78! K(o=-4.5!,f=-2) USER MOD Set 2.2: A 26 TYR OH : rot 180:sc= -0.762 USER MOD Single : A 1 MET CE :methyl -105:sc= -2.13! (180deg=-3.95!) USER MOD Single : A 1 MET N :NH3+ -138:sc= 1.27 (180deg=-2.36!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -137:sc= -0.696 (180deg=-2.8!) USER MOD Single : A 7 THR OG1 : rot -52:sc= 0.759 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0.507 K(o=0.51,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -150:sc= 1.25 (180deg=1.08) USER MOD Single : A 28 THR OG1 : rot -64:sc= 0.918 USER MOD Single : A 30 CYS SG : rot -110:sc= -3.03! USER MOD Single : A 33 CYS SG : rot -88:sc= 1.32 USER MOD Single : A 34 LYS NZ :NH3+ 134:sc= -0.072 (180deg=-0.533) USER MOD Single : A 35 MET CE :methyl -147:sc= -1.18 (180deg=-1.48) USER MOD Single : A 39 MET CE :methyl -140:sc= -4.69! (180deg=-9.11!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 167:sc= 0.178 USER MOD Single : A 46 GLN : amide:sc= -0.207 K(o=-0.21,f=-1.8!) USER MOD Single : A 47 TYR OH : rot 116:sc= -3.74! USER MOD Single : A 49 GLN : amide:sc= -0.787 K(o=-0.79,f=0) USER MOD Single : A 53 TYR OH : rot 125:sc=0.000848 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 160:sc= 1.28 (180deg=1.21) USER MOD Single : A 67 ASN : amide:sc= -8.47! C(o=-8.5!,f=-6.6!) USER MOD Single : A 72 MET CE :methyl 152:sc= -3.9! (180deg=-5.35!) USER MOD Single : A 74 THR OG1 : rot 88:sc= 0.135 USER MOD Single : A 79 LYS NZ :NH3+ 172:sc= 0.981 (180deg=0.864) USER MOD Single : A 80 ASN : amide:sc= -0.429 X(o=-0.43,f=-0.51) USER MOD Single : A 82 LYS NZ :NH3+ -153:sc= 1.01 (180deg=0.493) USER MOD Single : A 86 LYS NZ :NH3+ -154:sc= 0.426 (180deg=0.223) USER MOD Single : A 91 ASN : amide:sc= -2.27! K(o=-2.3!,f=-0.97) USER MOD Single : A 96 LYS NZ :NH3+ 161:sc= -0.116 (180deg=-0.544) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 102 ASN : amide:sc= -10.6! C(o=-11!,f=-18!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.796 -6.752 10.617 1.00 0.00 N ATOM 2 CA MET A 1 -5.033 -5.484 10.695 1.00 0.00 C ATOM 3 C MET A 1 -3.996 -5.404 9.585 1.00 0.00 C ATOM 4 O MET A 1 -3.783 -6.366 8.854 1.00 0.00 O ATOM 5 CB MET A 1 -4.352 -5.329 12.065 1.00 0.00 C ATOM 6 CG MET A 1 -3.187 -6.280 12.325 1.00 0.00 C ATOM 7 SD MET A 1 -3.681 -8.012 12.456 1.00 0.00 S ATOM 8 CE MET A 1 -3.201 -8.624 10.847 1.00 0.00 C ATOM 0 H1 MET A 1 -6.803 -6.562 10.792 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.681 -7.169 9.671 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.439 -7.416 11.333 1.00 0.00 H new ATOM 0 HA MET A 1 -5.743 -4.666 10.569 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.991 -4.305 12.159 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.101 -5.476 12.843 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.460 -6.179 11.520 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.686 -5.983 13.246 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.089 -8.761 10.230 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.535 -7.906 10.369 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.686 -9.578 10.959 1.00 0.00 H new ATOM 20 N VAL A 2 -3.374 -4.241 9.448 1.00 0.00 N ATOM 21 CA VAL A 2 -2.370 -4.013 8.429 1.00 0.00 C ATOM 22 C VAL A 2 -1.046 -3.598 9.078 1.00 0.00 C ATOM 23 O VAL A 2 -1.019 -2.720 9.939 1.00 0.00 O ATOM 24 CB VAL A 2 -2.866 -2.944 7.437 1.00 0.00 C ATOM 25 CG1 VAL A 2 -1.789 -2.591 6.434 1.00 0.00 C ATOM 26 CG2 VAL A 2 -4.121 -3.429 6.731 1.00 0.00 C ATOM 0 H VAL A 2 -3.554 -3.432 10.042 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.198 -4.937 7.876 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.107 -2.040 7.997 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.166 -1.834 5.746 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.917 -2.202 6.959 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.507 -3.483 5.874 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -4.463 -2.666 6.032 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.900 -4.347 6.186 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.901 -3.623 7.467 1.00 0.00 H new ATOM 36 N THR A 3 0.038 -4.241 8.655 1.00 0.00 N ATOM 37 CA THR A 3 1.344 -4.110 9.310 1.00 0.00 C ATOM 38 C THR A 3 2.019 -2.761 9.014 1.00 0.00 C ATOM 39 O THR A 3 1.905 -2.223 7.916 1.00 0.00 O ATOM 40 CB THR A 3 2.270 -5.266 8.879 1.00 0.00 C ATOM 41 OG1 THR A 3 1.597 -6.521 9.067 1.00 0.00 O ATOM 42 CG2 THR A 3 3.567 -5.262 9.674 1.00 0.00 C ATOM 0 H THR A 3 0.041 -4.868 7.850 1.00 0.00 H new ATOM 0 HA THR A 3 1.170 -4.155 10.385 1.00 0.00 H new ATOM 0 HB THR A 3 2.514 -5.129 7.826 1.00 0.00 H new ATOM 0 HG1 THR A 3 2.187 -7.253 8.791 1.00 0.00 H new ATOM 0 HG21 THR A 3 4.197 -6.089 9.346 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.091 -4.320 9.511 1.00 0.00 H new ATOM 0 HG23 THR A 3 3.344 -5.374 10.735 1.00 0.00 H new ATOM 50 N GLN A 4 2.734 -2.235 10.005 1.00 0.00 N ATOM 51 CA GLN A 4 3.334 -0.904 9.929 1.00 0.00 C ATOM 52 C GLN A 4 4.833 -0.976 9.609 1.00 0.00 C ATOM 53 O GLN A 4 5.597 -1.618 10.330 1.00 0.00 O ATOM 54 CB GLN A 4 3.123 -0.200 11.275 1.00 0.00 C ATOM 55 CG GLN A 4 3.390 1.294 11.254 1.00 0.00 C ATOM 56 CD GLN A 4 2.593 1.990 10.180 1.00 0.00 C ATOM 57 OE1 GLN A 4 1.445 2.376 10.385 1.00 0.00 O ATOM 58 NE2 GLN A 4 3.206 2.177 9.031 1.00 0.00 N ATOM 0 H GLN A 4 2.914 -2.719 10.884 1.00 0.00 H new ATOM 0 HA GLN A 4 2.855 -0.347 9.124 1.00 0.00 H new ATOM 0 HB2 GLN A 4 2.097 -0.368 11.601 1.00 0.00 H new ATOM 0 HB3 GLN A 4 3.773 -0.662 12.018 1.00 0.00 H new ATOM 0 HG2 GLN A 4 3.142 1.721 12.225 1.00 0.00 H new ATOM 0 HG3 GLN A 4 4.453 1.471 11.090 1.00 0.00 H new ATOM 0 HE21 GLN A 4 4.160 1.841 8.901 1.00 0.00 H new ATOM 0 HE22 GLN A 4 2.727 2.658 8.270 1.00 0.00 H new ATOM 67 N PHE A 5 5.240 -0.322 8.520 1.00 0.00 N ATOM 68 CA PHE A 5 6.662 -0.190 8.165 1.00 0.00 C ATOM 69 C PHE A 5 7.292 0.989 8.898 1.00 0.00 C ATOM 70 O PHE A 5 6.584 1.877 9.379 1.00 0.00 O ATOM 71 CB PHE A 5 6.839 0.077 6.669 1.00 0.00 C ATOM 72 CG PHE A 5 6.551 -1.073 5.752 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.759 -2.382 6.150 1.00 0.00 C ATOM 74 CD2 PHE A 5 6.104 -0.829 4.464 1.00 0.00 C ATOM 75 CE1 PHE A 5 6.524 -3.424 5.278 1.00 0.00 C ATOM 76 CE2 PHE A 5 5.864 -1.868 3.591 1.00 0.00 C ATOM 77 CZ PHE A 5 6.076 -3.166 3.997 1.00 0.00 C ATOM 0 H PHE A 5 4.604 0.129 7.862 1.00 0.00 H new ATOM 0 HA PHE A 5 7.140 -1.129 8.445 1.00 0.00 H new ATOM 0 HB2 PHE A 5 6.191 0.908 6.390 1.00 0.00 H new ATOM 0 HB3 PHE A 5 7.865 0.402 6.498 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.108 -2.589 7.151 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.941 0.188 4.140 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.690 -4.442 5.597 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.511 -1.664 2.591 1.00 0.00 H new ATOM 0 HZ PHE A 5 5.892 -3.982 3.314 1.00 0.00 H new ATOM 87 N LYS A 6 8.618 0.987 9.000 1.00 0.00 N ATOM 88 CA LYS A 6 9.349 2.179 9.413 1.00 0.00 C ATOM 89 C LYS A 6 10.575 2.406 8.528 1.00 0.00 C ATOM 90 O LYS A 6 11.306 3.375 8.715 1.00 0.00 O ATOM 91 CB LYS A 6 9.769 2.102 10.884 1.00 0.00 C ATOM 92 CG LYS A 6 10.838 1.063 11.181 1.00 0.00 C ATOM 93 CD LYS A 6 11.387 1.180 12.601 1.00 0.00 C ATOM 94 CE LYS A 6 10.422 0.649 13.658 1.00 0.00 C ATOM 95 NZ LYS A 6 9.271 1.560 13.908 1.00 0.00 N ATOM 0 H LYS A 6 9.205 0.177 8.803 1.00 0.00 H new ATOM 0 HA LYS A 6 8.673 3.026 9.297 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.135 3.080 11.196 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.889 1.883 11.489 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.422 0.066 11.037 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.655 1.173 10.468 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.327 0.633 12.668 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.611 2.225 12.813 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.046 -0.324 13.342 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.964 0.493 14.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.097 1.626 14.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.488 2.505 13.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.423 1.186 13.436 1.00 0.00 H new ATOM 109 N THR A 7 10.815 1.508 7.574 1.00 0.00 N ATOM 110 CA THR A 7 11.961 1.650 6.677 1.00 0.00 C ATOM 111 C THR A 7 11.615 1.257 5.244 1.00 0.00 C ATOM 112 O THR A 7 10.640 0.537 4.994 1.00 0.00 O ATOM 113 CB THR A 7 13.163 0.802 7.150 1.00 0.00 C ATOM 114 OG1 THR A 7 12.728 -0.516 7.510 1.00 0.00 O ATOM 115 CG2 THR A 7 13.874 1.452 8.327 1.00 0.00 C ATOM 0 H THR A 7 10.239 0.684 7.403 1.00 0.00 H new ATOM 0 HA THR A 7 12.233 2.705 6.700 1.00 0.00 H new ATOM 0 HB THR A 7 13.870 0.736 6.323 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.987 -0.453 8.148 1.00 0.00 H new ATOM 0 HG21 THR A 7 14.714 0.829 8.634 1.00 0.00 H new ATOM 0 HG22 THR A 7 14.240 2.436 8.033 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.178 1.558 9.159 1.00 0.00 H new ATOM 123 N ALA A 8 12.424 1.731 4.301 1.00 0.00 N ATOM 124 CA ALA A 8 12.248 1.389 2.899 1.00 0.00 C ATOM 125 C ALA A 8 12.672 -0.048 2.648 1.00 0.00 C ATOM 126 O ALA A 8 12.157 -0.706 1.748 1.00 0.00 O ATOM 127 CB ALA A 8 13.033 2.334 2.006 1.00 0.00 C ATOM 0 H ALA A 8 13.209 2.355 4.486 1.00 0.00 H new ATOM 0 HA ALA A 8 11.190 1.491 2.655 1.00 0.00 H new ATOM 0 HB1 ALA A 8 12.884 2.056 0.963 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.686 3.355 2.163 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.093 2.270 2.251 1.00 0.00 H new ATOM 133 N SER A 9 13.613 -0.532 3.452 1.00 0.00 N ATOM 134 CA SER A 9 14.017 -1.928 3.396 1.00 0.00 C ATOM 135 C SER A 9 12.813 -2.818 3.685 1.00 0.00 C ATOM 136 O SER A 9 12.596 -3.829 3.017 1.00 0.00 O ATOM 137 CB SER A 9 15.130 -2.188 4.408 1.00 0.00 C ATOM 138 OG SER A 9 16.176 -1.244 4.262 1.00 0.00 O ATOM 0 H SER A 9 14.109 0.024 4.149 1.00 0.00 H new ATOM 0 HA SER A 9 14.395 -2.158 2.400 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.727 -2.137 5.419 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.523 -3.196 4.272 1.00 0.00 H new ATOM 0 HG SER A 9 16.877 -1.428 4.921 1.00 0.00 H new ATOM 144 N GLU A 10 12.031 -2.420 4.686 1.00 0.00 N ATOM 145 CA GLU A 10 10.765 -3.060 4.987 1.00 0.00 C ATOM 146 C GLU A 10 9.850 -3.097 3.772 1.00 0.00 C ATOM 147 O GLU A 10 9.229 -4.127 3.499 1.00 0.00 O ATOM 148 CB GLU A 10 10.093 -2.324 6.135 1.00 0.00 C ATOM 149 CG GLU A 10 10.574 -2.790 7.483 1.00 0.00 C ATOM 150 CD GLU A 10 9.948 -2.022 8.613 1.00 0.00 C ATOM 151 OE1 GLU A 10 10.481 -0.954 8.960 1.00 0.00 O ATOM 152 OE2 GLU A 10 8.929 -2.480 9.163 1.00 0.00 O ATOM 0 H GLU A 10 12.262 -1.645 5.307 1.00 0.00 H new ATOM 0 HA GLU A 10 10.960 -4.093 5.275 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.281 -1.255 6.036 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.014 -2.465 6.070 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.349 -3.850 7.599 1.00 0.00 H new ATOM 0 HG3 GLU A 10 11.658 -2.687 7.534 1.00 0.00 H new ATOM 159 N PHE A 11 9.765 -1.981 3.046 1.00 0.00 N ATOM 160 CA PHE A 11 8.946 -1.928 1.839 1.00 0.00 C ATOM 161 C PHE A 11 9.399 -3.002 0.851 1.00 0.00 C ATOM 162 O PHE A 11 8.634 -3.908 0.521 1.00 0.00 O ATOM 163 CB PHE A 11 9.011 -0.533 1.193 1.00 0.00 C ATOM 164 CG PHE A 11 7.987 -0.298 0.108 1.00 0.00 C ATOM 165 CD1 PHE A 11 8.133 -0.869 -1.146 1.00 0.00 C ATOM 166 CD2 PHE A 11 6.883 0.515 0.339 1.00 0.00 C ATOM 167 CE1 PHE A 11 7.202 -0.640 -2.143 1.00 0.00 C ATOM 168 CE2 PHE A 11 5.949 0.751 -0.662 1.00 0.00 C ATOM 169 CZ PHE A 11 6.112 0.168 -1.898 1.00 0.00 C ATOM 0 H PHE A 11 10.248 -1.112 3.271 1.00 0.00 H new ATOM 0 HA PHE A 11 7.909 -2.121 2.115 1.00 0.00 H new ATOM 0 HB2 PHE A 11 8.878 0.220 1.970 1.00 0.00 H new ATOM 0 HB3 PHE A 11 10.006 -0.386 0.774 1.00 0.00 H new ATOM 0 HD1 PHE A 11 8.985 -1.501 -1.348 1.00 0.00 H new ATOM 0 HD2 PHE A 11 6.750 0.969 1.310 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.329 -1.095 -3.114 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.099 1.389 -0.471 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.385 0.344 -2.677 1.00 0.00 H new ATOM 179 N ASP A 12 10.656 -2.912 0.424 1.00 0.00 N ATOM 180 CA ASP A 12 11.233 -3.859 -0.542 1.00 0.00 C ATOM 181 C ASP A 12 11.095 -5.306 -0.067 1.00 0.00 C ATOM 182 O ASP A 12 10.797 -6.199 -0.859 1.00 0.00 O ATOM 183 CB ASP A 12 12.718 -3.555 -0.791 1.00 0.00 C ATOM 184 CG ASP A 12 12.958 -2.304 -1.619 1.00 0.00 C ATOM 185 OD1 ASP A 12 12.692 -2.331 -2.842 1.00 0.00 O ATOM 186 OD2 ASP A 12 13.460 -1.303 -1.064 1.00 0.00 O ATOM 0 H ASP A 12 11.304 -2.187 0.732 1.00 0.00 H new ATOM 0 HA ASP A 12 10.675 -3.739 -1.470 1.00 0.00 H new ATOM 0 HB2 ASP A 12 13.223 -3.446 0.169 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.174 -4.407 -1.296 1.00 0.00 H new ATOM 191 N SER A 13 11.312 -5.534 1.226 1.00 0.00 N ATOM 192 CA SER A 13 11.222 -6.875 1.798 1.00 0.00 C ATOM 193 C SER A 13 9.834 -7.471 1.576 1.00 0.00 C ATOM 194 O SER A 13 9.703 -8.631 1.172 1.00 0.00 O ATOM 195 CB SER A 13 11.546 -6.837 3.296 1.00 0.00 C ATOM 196 OG SER A 13 11.542 -8.138 3.864 1.00 0.00 O ATOM 0 H SER A 13 11.552 -4.806 1.899 1.00 0.00 H new ATOM 0 HA SER A 13 11.951 -7.509 1.293 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.523 -6.377 3.446 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.816 -6.212 3.811 1.00 0.00 H new ATOM 0 HG SER A 13 11.754 -8.079 4.819 1.00 0.00 H new ATOM 202 N ALA A 14 8.800 -6.676 1.830 1.00 0.00 N ATOM 203 CA ALA A 14 7.431 -7.115 1.626 1.00 0.00 C ATOM 204 C ALA A 14 7.166 -7.362 0.149 1.00 0.00 C ATOM 205 O ALA A 14 6.411 -8.260 -0.219 1.00 0.00 O ATOM 206 CB ALA A 14 6.453 -6.087 2.175 1.00 0.00 C ATOM 0 H ALA A 14 8.888 -5.722 2.179 1.00 0.00 H new ATOM 0 HA ALA A 14 7.287 -8.051 2.165 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.432 -6.433 2.013 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.626 -5.954 3.243 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.599 -5.136 1.663 1.00 0.00 H new ATOM 212 N ILE A 15 7.814 -6.559 -0.684 1.00 0.00 N ATOM 213 CA ILE A 15 7.651 -6.628 -2.131 1.00 0.00 C ATOM 214 C ILE A 15 8.182 -7.941 -2.692 1.00 0.00 C ATOM 215 O ILE A 15 7.616 -8.507 -3.629 1.00 0.00 O ATOM 216 CB ILE A 15 8.396 -5.474 -2.827 1.00 0.00 C ATOM 217 CG1 ILE A 15 7.925 -4.117 -2.325 1.00 0.00 C ATOM 218 CG2 ILE A 15 8.234 -5.540 -4.327 1.00 0.00 C ATOM 219 CD1 ILE A 15 6.426 -4.008 -2.141 1.00 0.00 C ATOM 0 H ILE A 15 8.469 -5.840 -0.376 1.00 0.00 H new ATOM 0 HA ILE A 15 6.581 -6.554 -2.326 1.00 0.00 H new ATOM 0 HB ILE A 15 9.451 -5.590 -2.579 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.413 -3.905 -1.373 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.250 -3.350 -3.028 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.772 -4.711 -4.788 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.637 -6.484 -4.695 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.176 -5.473 -4.582 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.175 -3.010 -1.781 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.929 -4.186 -3.094 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.094 -4.750 -1.415 1.00 0.00 H new ATOM 231 N ALA A 16 9.264 -8.425 -2.102 1.00 0.00 N ATOM 232 CA ALA A 16 10.003 -9.562 -2.643 1.00 0.00 C ATOM 233 C ALA A 16 9.299 -10.900 -2.407 1.00 0.00 C ATOM 234 O ALA A 16 9.894 -11.961 -2.601 1.00 0.00 O ATOM 235 CB ALA A 16 11.404 -9.586 -2.054 1.00 0.00 C ATOM 0 H ALA A 16 9.655 -8.046 -1.240 1.00 0.00 H new ATOM 0 HA ALA A 16 10.056 -9.430 -3.724 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.954 -10.435 -2.459 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.922 -8.662 -2.310 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.341 -9.678 -0.970 1.00 0.00 H new ATOM 241 N GLN A 17 8.040 -10.855 -2.002 1.00 0.00 N ATOM 242 CA GLN A 17 7.265 -12.056 -1.787 1.00 0.00 C ATOM 243 C GLN A 17 6.580 -12.489 -3.076 1.00 0.00 C ATOM 244 O GLN A 17 6.236 -11.657 -3.914 1.00 0.00 O ATOM 245 CB GLN A 17 6.217 -11.797 -0.721 1.00 0.00 C ATOM 246 CG GLN A 17 6.788 -11.368 0.614 1.00 0.00 C ATOM 247 CD GLN A 17 5.737 -11.327 1.700 1.00 0.00 C ATOM 248 OE1 GLN A 17 5.539 -12.300 2.427 1.00 0.00 O ATOM 249 NE2 GLN A 17 5.043 -10.209 1.809 1.00 0.00 N ATOM 0 H GLN A 17 7.534 -9.989 -1.815 1.00 0.00 H new ATOM 0 HA GLN A 17 7.936 -12.852 -1.462 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.534 -11.025 -1.077 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.628 -12.703 -0.578 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.582 -12.056 0.905 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.242 -10.382 0.513 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.238 -9.425 1.187 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.312 -10.130 2.516 1.00 0.00 H new ATOM 258 N ASP A 18 6.357 -13.789 -3.217 1.00 0.00 N ATOM 259 CA ASP A 18 5.704 -14.338 -4.407 1.00 0.00 C ATOM 260 C ASP A 18 4.186 -14.221 -4.294 1.00 0.00 C ATOM 261 O ASP A 18 3.446 -15.100 -4.740 1.00 0.00 O ATOM 262 CB ASP A 18 6.091 -15.806 -4.611 1.00 0.00 C ATOM 263 CG ASP A 18 7.577 -15.996 -4.831 1.00 0.00 C ATOM 264 OD1 ASP A 18 8.311 -16.181 -3.835 1.00 0.00 O ATOM 265 OD2 ASP A 18 8.018 -15.968 -6.001 1.00 0.00 O ATOM 0 H ASP A 18 6.618 -14.488 -2.522 1.00 0.00 H new ATOM 0 HA ASP A 18 6.041 -13.760 -5.267 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.781 -16.383 -3.740 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.548 -16.205 -5.468 1.00 0.00 H new ATOM 270 N LYS A 19 3.733 -13.124 -3.708 1.00 0.00 N ATOM 271 CA LYS A 19 2.316 -12.899 -3.475 1.00 0.00 C ATOM 272 C LYS A 19 1.971 -11.458 -3.817 1.00 0.00 C ATOM 273 O LYS A 19 2.852 -10.674 -4.169 1.00 0.00 O ATOM 274 CB LYS A 19 1.967 -13.167 -2.009 1.00 0.00 C ATOM 275 CG LYS A 19 2.600 -12.165 -1.057 1.00 0.00 C ATOM 276 CD LYS A 19 2.064 -12.299 0.357 1.00 0.00 C ATOM 277 CE LYS A 19 2.514 -13.586 1.024 1.00 0.00 C ATOM 278 NZ LYS A 19 2.090 -13.633 2.446 1.00 0.00 N ATOM 0 H LYS A 19 4.335 -12.368 -3.382 1.00 0.00 H new ATOM 0 HA LYS A 19 1.743 -13.579 -4.106 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.884 -13.141 -1.888 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.294 -14.172 -1.741 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.681 -12.307 -1.049 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.414 -11.154 -1.420 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.397 -11.448 0.952 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.975 -12.265 0.335 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.098 -14.440 0.490 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.599 -13.670 0.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.775 -14.191 2.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.046 -12.666 2.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.151 -14.075 2.514 1.00 0.00 H new ATOM 292 N LEU A 20 0.702 -11.111 -3.705 1.00 0.00 N ATOM 293 CA LEU A 20 0.269 -9.751 -3.964 1.00 0.00 C ATOM 294 C LEU A 20 0.508 -8.900 -2.725 1.00 0.00 C ATOM 295 O LEU A 20 -0.041 -9.166 -1.652 1.00 0.00 O ATOM 296 CB LEU A 20 -1.210 -9.739 -4.368 1.00 0.00 C ATOM 297 CG LEU A 20 -1.723 -8.466 -5.058 1.00 0.00 C ATOM 298 CD1 LEU A 20 -1.791 -7.296 -4.094 1.00 0.00 C ATOM 299 CD2 LEU A 20 -0.848 -8.113 -6.250 1.00 0.00 C ATOM 0 H LEU A 20 -0.045 -11.751 -3.437 1.00 0.00 H new ATOM 0 HA LEU A 20 0.845 -9.332 -4.789 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.388 -10.583 -5.034 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.809 -9.907 -3.473 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.734 -8.670 -5.409 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.158 -6.414 -4.618 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.467 -7.539 -3.274 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.796 -7.094 -3.696 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.228 -7.209 -6.725 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.175 -7.944 -5.913 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.863 -8.933 -6.968 1.00 0.00 H new ATOM 311 N VAL A 21 1.343 -7.890 -2.877 1.00 0.00 N ATOM 312 CA VAL A 21 1.665 -6.998 -1.782 1.00 0.00 C ATOM 313 C VAL A 21 0.908 -5.692 -1.942 1.00 0.00 C ATOM 314 O VAL A 21 1.070 -5.005 -2.948 1.00 0.00 O ATOM 315 CB VAL A 21 3.173 -6.683 -1.732 1.00 0.00 C ATOM 316 CG1 VAL A 21 3.592 -6.278 -0.327 1.00 0.00 C ATOM 317 CG2 VAL A 21 3.993 -7.860 -2.243 1.00 0.00 C ATOM 0 H VAL A 21 1.813 -7.667 -3.754 1.00 0.00 H new ATOM 0 HA VAL A 21 1.378 -7.499 -0.857 1.00 0.00 H new ATOM 0 HB VAL A 21 3.368 -5.838 -2.392 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.660 -6.060 -0.314 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.037 -5.390 -0.023 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.380 -7.093 0.365 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.053 -7.612 -2.197 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.798 -8.735 -1.624 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.715 -8.076 -3.275 1.00 0.00 H new ATOM 327 N VAL A 22 0.077 -5.354 -0.970 1.00 0.00 N ATOM 328 CA VAL A 22 -0.634 -4.089 -1.003 1.00 0.00 C ATOM 329 C VAL A 22 -0.035 -3.158 0.021 1.00 0.00 C ATOM 330 O VAL A 22 -0.216 -3.345 1.228 1.00 0.00 O ATOM 331 CB VAL A 22 -2.136 -4.241 -0.705 1.00 0.00 C ATOM 332 CG1 VAL A 22 -2.857 -2.915 -0.899 1.00 0.00 C ATOM 333 CG2 VAL A 22 -2.753 -5.319 -1.573 1.00 0.00 C ATOM 0 H VAL A 22 -0.120 -5.934 -0.154 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.534 -3.691 -2.013 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.247 -4.542 0.337 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.918 -3.043 -0.684 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.437 -2.170 -0.223 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.734 -2.581 -1.929 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.815 -5.407 -1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.629 -5.055 -2.623 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.259 -6.271 -1.377 1.00 0.00 H new ATOM 343 N VAL A 23 0.697 -2.170 -0.445 1.00 0.00 N ATOM 344 CA VAL A 23 1.342 -1.259 0.464 1.00 0.00 C ATOM 345 C VAL A 23 0.573 0.040 0.552 1.00 0.00 C ATOM 346 O VAL A 23 0.314 0.714 -0.448 1.00 0.00 O ATOM 347 CB VAL A 23 2.804 -0.985 0.095 1.00 0.00 C ATOM 348 CG1 VAL A 23 3.490 -0.262 1.237 1.00 0.00 C ATOM 349 CG2 VAL A 23 3.522 -2.283 -0.212 1.00 0.00 C ATOM 0 H VAL A 23 0.857 -1.981 -1.435 1.00 0.00 H new ATOM 0 HA VAL A 23 1.345 -1.745 1.440 1.00 0.00 H new ATOM 0 HB VAL A 23 2.835 -0.357 -0.795 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.530 -0.068 0.973 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.981 0.683 1.427 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.453 -0.881 2.134 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.559 -2.072 -0.472 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.492 -2.931 0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.032 -2.781 -1.049 1.00 0.00 H new ATOM 359 N ALA A 24 0.215 0.356 1.769 1.00 0.00 N ATOM 360 CA ALA A 24 -0.631 1.487 2.084 1.00 0.00 C ATOM 361 C ALA A 24 0.200 2.706 2.456 1.00 0.00 C ATOM 362 O ALA A 24 0.645 2.835 3.598 1.00 0.00 O ATOM 363 CB ALA A 24 -1.520 1.109 3.255 1.00 0.00 C ATOM 0 H ALA A 24 0.508 -0.175 2.589 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.229 1.739 1.208 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.166 1.950 3.508 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.133 0.249 2.984 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.900 0.856 4.115 1.00 0.00 H new ATOM 369 N PHE A 25 0.419 3.596 1.509 1.00 0.00 N ATOM 370 CA PHE A 25 1.163 4.810 1.794 1.00 0.00 C ATOM 371 C PHE A 25 0.250 6.009 1.944 1.00 0.00 C ATOM 372 O PHE A 25 -0.576 6.298 1.085 1.00 0.00 O ATOM 373 CB PHE A 25 2.222 5.060 0.726 1.00 0.00 C ATOM 374 CG PHE A 25 3.550 4.519 1.138 1.00 0.00 C ATOM 375 CD1 PHE A 25 3.672 3.198 1.517 1.00 0.00 C ATOM 376 CD2 PHE A 25 4.667 5.331 1.172 1.00 0.00 C ATOM 377 CE1 PHE A 25 4.883 2.692 1.924 1.00 0.00 C ATOM 378 CE2 PHE A 25 5.885 4.827 1.574 1.00 0.00 C ATOM 379 CZ PHE A 25 5.992 3.504 1.951 1.00 0.00 C ATOM 0 H PHE A 25 0.097 3.505 0.545 1.00 0.00 H new ATOM 0 HA PHE A 25 1.667 4.667 2.750 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.913 4.596 -0.210 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.306 6.130 0.538 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.805 2.554 1.494 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.585 6.368 0.882 1.00 0.00 H new ATOM 0 HE1 PHE A 25 4.964 1.657 2.222 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.755 5.467 1.594 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.945 3.107 2.267 1.00 0.00 H new ATOM 389 N TYR A 26 0.400 6.696 3.058 1.00 0.00 N ATOM 390 CA TYR A 26 -0.395 7.871 3.348 1.00 0.00 C ATOM 391 C TYR A 26 0.394 8.809 4.244 1.00 0.00 C ATOM 392 O TYR A 26 1.495 8.481 4.678 1.00 0.00 O ATOM 393 CB TYR A 26 -1.727 7.478 4.004 1.00 0.00 C ATOM 394 CG TYR A 26 -1.588 6.599 5.228 1.00 0.00 C ATOM 395 CD1 TYR A 26 -1.361 5.235 5.102 1.00 0.00 C ATOM 396 CD2 TYR A 26 -1.696 7.129 6.504 1.00 0.00 C ATOM 397 CE1 TYR A 26 -1.243 4.425 6.211 1.00 0.00 C ATOM 398 CE2 TYR A 26 -1.578 6.327 7.620 1.00 0.00 C ATOM 399 CZ TYR A 26 -1.351 4.976 7.470 1.00 0.00 C ATOM 400 OH TYR A 26 -1.239 4.173 8.585 1.00 0.00 O ATOM 0 H TYR A 26 1.074 6.457 3.785 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.625 8.385 2.415 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.262 8.386 4.283 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.341 6.960 3.268 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -1.275 4.801 4.117 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.875 8.187 6.627 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.067 3.366 6.094 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.663 6.756 8.607 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.338 4.719 9.393 1.00 0.00 H new ATOM 410 N ALA A 27 -0.159 9.975 4.511 1.00 0.00 N ATOM 411 CA ALA A 27 0.533 10.972 5.301 1.00 0.00 C ATOM 412 C ALA A 27 -0.321 11.409 6.473 1.00 0.00 C ATOM 413 O ALA A 27 -1.454 11.844 6.291 1.00 0.00 O ATOM 414 CB ALA A 27 0.893 12.162 4.434 1.00 0.00 C ATOM 0 H ALA A 27 -1.086 10.255 4.192 1.00 0.00 H new ATOM 0 HA ALA A 27 1.450 10.533 5.693 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.413 12.907 5.036 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.541 11.837 3.620 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.016 12.600 4.021 1.00 0.00 H new ATOM 420 N THR A 28 0.230 11.290 7.668 1.00 0.00 N ATOM 421 CA THR A 28 -0.472 11.642 8.887 1.00 0.00 C ATOM 422 C THR A 28 -0.796 13.136 8.954 1.00 0.00 C ATOM 423 O THR A 28 -1.675 13.554 9.709 1.00 0.00 O ATOM 424 CB THR A 28 0.369 11.235 10.088 1.00 0.00 C ATOM 425 OG1 THR A 28 1.470 10.434 9.639 1.00 0.00 O ATOM 426 CG2 THR A 28 -0.460 10.438 11.072 1.00 0.00 C ATOM 0 H THR A 28 1.178 10.946 7.819 1.00 0.00 H new ATOM 0 HA THR A 28 -1.421 11.106 8.896 1.00 0.00 H new ATOM 0 HB THR A 28 0.734 12.134 10.585 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.131 9.606 9.239 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.158 10.156 11.924 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.298 11.044 11.417 1.00 0.00 H new ATOM 0 HG23 THR A 28 -0.838 9.539 10.585 1.00 0.00 H new ATOM 434 N TRP A 29 -0.086 13.936 8.163 1.00 0.00 N ATOM 435 CA TRP A 29 -0.362 15.364 8.082 1.00 0.00 C ATOM 436 C TRP A 29 -1.369 15.663 6.975 1.00 0.00 C ATOM 437 O TRP A 29 -1.826 16.796 6.829 1.00 0.00 O ATOM 438 CB TRP A 29 0.931 16.166 7.851 1.00 0.00 C ATOM 439 CG TRP A 29 1.741 15.729 6.660 1.00 0.00 C ATOM 440 CD1 TRP A 29 2.902 15.011 6.684 1.00 0.00 C ATOM 441 CD2 TRP A 29 1.465 15.989 5.274 1.00 0.00 C ATOM 442 NE1 TRP A 29 3.360 14.804 5.405 1.00 0.00 N ATOM 443 CE2 TRP A 29 2.496 15.394 4.523 1.00 0.00 C ATOM 444 CE3 TRP A 29 0.445 16.660 4.597 1.00 0.00 C ATOM 445 CZ2 TRP A 29 2.534 15.453 3.133 1.00 0.00 C ATOM 446 CZ3 TRP A 29 0.483 16.720 3.219 1.00 0.00 C ATOM 447 CH2 TRP A 29 1.520 16.118 2.499 1.00 0.00 C ATOM 0 H TRP A 29 0.682 13.619 7.571 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.792 15.670 9.036 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.673 17.218 7.731 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.553 16.091 8.743 1.00 0.00 H new ATOM 0 HD1 TRP A 29 3.390 14.657 7.580 1.00 0.00 H new ATOM 0 HE1 TRP A 29 4.207 14.293 5.154 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.362 17.125 5.144 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.335 14.991 2.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.300 17.240 2.688 1.00 0.00 H new ATOM 0 HH2 TRP A 29 1.520 16.179 1.421 1.00 0.00 H new ATOM 458 N CYS A 30 -1.708 14.644 6.196 1.00 0.00 N ATOM 459 CA CYS A 30 -2.589 14.815 5.051 1.00 0.00 C ATOM 460 C CYS A 30 -4.036 14.539 5.443 1.00 0.00 C ATOM 461 O CYS A 30 -4.293 13.771 6.372 1.00 0.00 O ATOM 462 CB CYS A 30 -2.155 13.890 3.908 1.00 0.00 C ATOM 463 SG CYS A 30 -3.157 14.007 2.408 1.00 0.00 S ATOM 0 H CYS A 30 -1.384 13.687 6.338 1.00 0.00 H new ATOM 0 HA CYS A 30 -2.520 15.848 4.709 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.119 14.114 3.653 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.180 12.860 4.264 1.00 0.00 H new ATOM 0 HG CYS A 30 -3.854 12.919 2.266 1.00 0.00 H new ATOM 469 N GLY A 31 -4.969 15.162 4.743 1.00 0.00 N ATOM 470 CA GLY A 31 -6.373 15.022 5.075 1.00 0.00 C ATOM 471 C GLY A 31 -6.897 13.600 4.928 1.00 0.00 C ATOM 472 O GLY A 31 -7.148 12.924 5.932 1.00 0.00 O ATOM 0 H GLY A 31 -4.779 15.767 3.944 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.529 15.353 6.102 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.957 15.683 4.434 1.00 0.00 H new ATOM 476 N PRO A 32 -7.058 13.109 3.688 1.00 0.00 N ATOM 477 CA PRO A 32 -7.704 11.819 3.419 1.00 0.00 C ATOM 478 C PRO A 32 -6.829 10.596 3.714 1.00 0.00 C ATOM 479 O PRO A 32 -6.966 9.560 3.069 1.00 0.00 O ATOM 480 CB PRO A 32 -8.027 11.896 1.927 1.00 0.00 C ATOM 481 CG PRO A 32 -7.014 12.824 1.354 1.00 0.00 C ATOM 482 CD PRO A 32 -6.634 13.785 2.447 1.00 0.00 C ATOM 0 HA PRO A 32 -8.568 11.677 4.068 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.968 10.913 1.460 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.039 12.267 1.762 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.141 12.274 1.003 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.421 13.357 0.495 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.562 13.983 2.448 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.136 14.745 2.325 1.00 0.00 H new ATOM 490 N CYS A 33 -5.949 10.704 4.701 1.00 0.00 N ATOM 491 CA CYS A 33 -5.126 9.572 5.116 1.00 0.00 C ATOM 492 C CYS A 33 -5.992 8.513 5.789 1.00 0.00 C ATOM 493 O CYS A 33 -5.780 7.298 5.638 1.00 0.00 O ATOM 494 CB CYS A 33 -4.032 10.043 6.075 1.00 0.00 C ATOM 495 SG CYS A 33 -4.643 11.046 7.450 1.00 0.00 S ATOM 0 H CYS A 33 -5.786 11.561 5.229 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.658 9.135 4.234 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.514 9.172 6.476 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.297 10.621 5.516 1.00 0.00 H new ATOM 0 HG CYS A 33 -4.678 12.296 7.094 1.00 0.00 H new ATOM 501 N LYS A 34 -7.003 8.987 6.504 1.00 0.00 N ATOM 502 CA LYS A 34 -7.915 8.111 7.213 1.00 0.00 C ATOM 503 C LYS A 34 -8.768 7.306 6.238 1.00 0.00 C ATOM 504 O LYS A 34 -9.501 6.423 6.653 1.00 0.00 O ATOM 505 CB LYS A 34 -8.805 8.888 8.197 1.00 0.00 C ATOM 506 CG LYS A 34 -9.942 9.681 7.562 1.00 0.00 C ATOM 507 CD LYS A 34 -9.448 10.910 6.821 1.00 0.00 C ATOM 508 CE LYS A 34 -10.607 11.778 6.356 1.00 0.00 C ATOM 509 NZ LYS A 34 -11.439 12.253 7.494 1.00 0.00 N ATOM 0 H LYS A 34 -7.210 9.981 6.606 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.308 7.417 7.795 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.231 8.183 8.911 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.177 9.575 8.764 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.488 9.038 6.871 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.646 9.986 8.337 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.794 11.491 7.471 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.852 10.604 5.961 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.220 12.636 5.807 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.229 11.211 5.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.633 13.269 7.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.337 11.729 7.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.930 12.094 8.387 1.00 0.00 H new ATOM 523 N MET A 35 -8.678 7.610 4.943 1.00 0.00 N ATOM 524 CA MET A 35 -9.413 6.844 3.949 1.00 0.00 C ATOM 525 C MET A 35 -8.715 5.510 3.734 1.00 0.00 C ATOM 526 O MET A 35 -9.351 4.471 3.536 1.00 0.00 O ATOM 527 CB MET A 35 -9.492 7.616 2.632 1.00 0.00 C ATOM 528 CG MET A 35 -10.317 6.920 1.563 1.00 0.00 C ATOM 529 SD MET A 35 -12.065 6.771 1.975 1.00 0.00 S ATOM 530 CE MET A 35 -12.673 5.925 0.514 1.00 0.00 C ATOM 0 H MET A 35 -8.111 8.370 4.566 1.00 0.00 H new ATOM 0 HA MET A 35 -10.429 6.672 4.305 1.00 0.00 H new ATOM 0 HB2 MET A 35 -9.919 8.601 2.824 1.00 0.00 H new ATOM 0 HB3 MET A 35 -8.482 7.774 2.253 1.00 0.00 H new ATOM 0 HG2 MET A 35 -10.220 7.470 0.627 1.00 0.00 H new ATOM 0 HG3 MET A 35 -9.907 5.924 1.392 1.00 0.00 H new ATOM 0 HE1 MET A 35 -13.692 6.250 0.303 1.00 0.00 H new ATOM 0 HE2 MET A 35 -12.033 6.162 -0.336 1.00 0.00 H new ATOM 0 HE3 MET A 35 -12.663 4.849 0.686 1.00 0.00 H new ATOM 540 N ILE A 36 -7.391 5.546 3.814 1.00 0.00 N ATOM 541 CA ILE A 36 -6.577 4.365 3.585 1.00 0.00 C ATOM 542 C ILE A 36 -6.545 3.480 4.815 1.00 0.00 C ATOM 543 O ILE A 36 -6.382 2.264 4.707 1.00 0.00 O ATOM 544 CB ILE A 36 -5.145 4.769 3.156 1.00 0.00 C ATOM 545 CG1 ILE A 36 -5.054 4.771 1.635 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.081 3.863 3.759 1.00 0.00 C ATOM 547 CD1 ILE A 36 -6.129 5.603 0.989 1.00 0.00 C ATOM 0 H ILE A 36 -6.858 6.387 4.037 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.028 3.792 2.775 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.950 5.771 3.537 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.077 5.150 1.334 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.125 3.746 1.270 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.095 4.189 3.427 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.133 3.914 4.847 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.252 2.836 3.436 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.015 5.568 -0.094 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.108 5.210 1.264 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.044 6.635 1.329 1.00 0.00 H new ATOM 559 N ALA A 37 -6.750 4.086 5.976 1.00 0.00 N ATOM 560 CA ALA A 37 -6.824 3.321 7.213 1.00 0.00 C ATOM 561 C ALA A 37 -7.852 2.171 7.115 1.00 0.00 C ATOM 562 O ALA A 37 -7.465 0.998 7.190 1.00 0.00 O ATOM 563 CB ALA A 37 -7.107 4.236 8.400 1.00 0.00 C ATOM 0 H ALA A 37 -6.867 5.093 6.088 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.851 2.857 7.377 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.158 3.643 9.313 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.309 4.973 8.490 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.057 4.748 8.247 1.00 0.00 H new ATOM 569 N PRO A 38 -9.165 2.445 6.923 1.00 0.00 N ATOM 570 CA PRO A 38 -10.159 1.381 6.904 1.00 0.00 C ATOM 571 C PRO A 38 -10.269 0.671 5.560 1.00 0.00 C ATOM 572 O PRO A 38 -10.489 -0.528 5.531 1.00 0.00 O ATOM 573 CB PRO A 38 -11.454 2.112 7.233 1.00 0.00 C ATOM 574 CG PRO A 38 -11.270 3.460 6.639 1.00 0.00 C ATOM 575 CD PRO A 38 -9.792 3.756 6.718 1.00 0.00 C ATOM 0 HA PRO A 38 -9.902 0.584 7.602 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.318 1.603 6.806 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.617 2.169 8.309 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.617 3.481 5.606 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.847 4.208 7.184 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.433 4.229 5.804 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.567 4.436 7.539 1.00 0.00 H new ATOM 583 N MET A 39 -10.097 1.390 4.447 1.00 0.00 N ATOM 584 CA MET A 39 -10.311 0.790 3.135 1.00 0.00 C ATOM 585 C MET A 39 -9.284 -0.308 2.890 1.00 0.00 C ATOM 586 O MET A 39 -9.600 -1.367 2.347 1.00 0.00 O ATOM 587 CB MET A 39 -10.260 1.882 2.053 1.00 0.00 C ATOM 588 CG MET A 39 -10.245 1.380 0.615 1.00 0.00 C ATOM 589 SD MET A 39 -8.612 0.830 0.079 1.00 0.00 S ATOM 590 CE MET A 39 -7.577 2.097 0.813 1.00 0.00 C ATOM 0 H MET A 39 -9.815 2.370 4.430 1.00 0.00 H new ATOM 0 HA MET A 39 -11.297 0.328 3.094 1.00 0.00 H new ATOM 0 HB2 MET A 39 -11.122 2.537 2.182 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.370 2.490 2.217 1.00 0.00 H new ATOM 0 HG2 MET A 39 -10.951 0.555 0.516 1.00 0.00 H new ATOM 0 HG3 MET A 39 -10.590 2.176 -0.046 1.00 0.00 H new ATOM 0 HE1 MET A 39 -6.785 2.369 0.115 1.00 0.00 H new ATOM 0 HE2 MET A 39 -8.181 2.976 1.037 1.00 0.00 H new ATOM 0 HE3 MET A 39 -7.134 1.717 1.734 1.00 0.00 H new ATOM 600 N ILE A 40 -8.070 -0.067 3.343 1.00 0.00 N ATOM 601 CA ILE A 40 -6.995 -1.022 3.177 1.00 0.00 C ATOM 602 C ILE A 40 -7.101 -2.139 4.205 1.00 0.00 C ATOM 603 O ILE A 40 -6.824 -3.298 3.912 1.00 0.00 O ATOM 604 CB ILE A 40 -5.636 -0.302 3.247 1.00 0.00 C ATOM 605 CG1 ILE A 40 -5.081 -0.120 1.839 1.00 0.00 C ATOM 606 CG2 ILE A 40 -4.633 -1.033 4.131 1.00 0.00 C ATOM 607 CD1 ILE A 40 -4.309 1.160 1.665 1.00 0.00 C ATOM 0 H ILE A 40 -7.803 0.788 3.832 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.078 -1.485 2.194 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.800 0.673 3.705 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.433 -0.963 1.600 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.905 -0.139 1.126 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.692 -0.483 4.145 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.027 -1.105 5.145 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.462 -2.034 3.736 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.942 1.227 0.641 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.960 2.009 1.873 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.465 1.172 2.355 1.00 0.00 H new ATOM 619 N GLU A 41 -7.526 -1.806 5.406 1.00 0.00 N ATOM 620 CA GLU A 41 -7.789 -2.840 6.394 1.00 0.00 C ATOM 621 C GLU A 41 -8.937 -3.735 5.920 1.00 0.00 C ATOM 622 O GLU A 41 -9.012 -4.913 6.273 1.00 0.00 O ATOM 623 CB GLU A 41 -8.121 -2.205 7.748 1.00 0.00 C ATOM 624 CG GLU A 41 -8.297 -3.207 8.877 1.00 0.00 C ATOM 625 CD GLU A 41 -8.799 -2.561 10.151 1.00 0.00 C ATOM 626 OE1 GLU A 41 -8.011 -1.854 10.821 1.00 0.00 O ATOM 627 OE2 GLU A 41 -9.990 -2.742 10.485 1.00 0.00 O ATOM 0 H GLU A 41 -7.695 -0.851 5.721 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.897 -3.454 6.513 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.326 -1.509 8.015 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.036 -1.621 7.649 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.998 -3.982 8.565 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.345 -3.699 9.074 1.00 0.00 H new ATOM 634 N LYS A 42 -9.804 -3.174 5.084 1.00 0.00 N ATOM 635 CA LYS A 42 -10.973 -3.887 4.604 1.00 0.00 C ATOM 636 C LYS A 42 -10.650 -4.848 3.460 1.00 0.00 C ATOM 637 O LYS A 42 -11.258 -5.914 3.385 1.00 0.00 O ATOM 638 CB LYS A 42 -12.077 -2.910 4.200 1.00 0.00 C ATOM 639 CG LYS A 42 -12.814 -2.321 5.393 1.00 0.00 C ATOM 640 CD LYS A 42 -13.899 -1.343 4.972 1.00 0.00 C ATOM 641 CE LYS A 42 -14.684 -0.847 6.174 1.00 0.00 C ATOM 642 NZ LYS A 42 -15.791 0.069 5.792 1.00 0.00 N ATOM 0 H LYS A 42 -9.715 -2.223 4.726 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.331 -4.497 5.433 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.642 -2.101 3.613 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.791 -3.423 3.556 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.260 -3.127 5.976 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.102 -1.813 6.043 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.449 -0.497 4.453 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.575 -1.826 4.267 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.093 -1.701 6.714 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.009 -0.331 6.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.296 0.379 6.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.401 0.898 5.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.452 -0.429 5.162 1.00 0.00 H new ATOM 656 N PHE A 43 -9.702 -4.502 2.575 1.00 0.00 N ATOM 657 CA PHE A 43 -9.360 -5.423 1.481 1.00 0.00 C ATOM 658 C PHE A 43 -8.971 -6.782 2.069 1.00 0.00 C ATOM 659 O PHE A 43 -9.512 -7.810 1.669 1.00 0.00 O ATOM 660 CB PHE A 43 -8.259 -4.866 0.520 1.00 0.00 C ATOM 661 CG PHE A 43 -6.812 -5.014 0.956 1.00 0.00 C ATOM 662 CD1 PHE A 43 -6.184 -6.254 0.974 1.00 0.00 C ATOM 663 CD2 PHE A 43 -6.075 -3.905 1.315 1.00 0.00 C ATOM 664 CE1 PHE A 43 -4.863 -6.377 1.356 1.00 0.00 C ATOM 665 CE2 PHE A 43 -4.753 -4.023 1.700 1.00 0.00 C ATOM 666 CZ PHE A 43 -4.148 -5.261 1.722 1.00 0.00 C ATOM 0 H PHE A 43 -9.177 -3.627 2.591 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.245 -5.539 0.855 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.372 -5.360 -0.445 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.456 -3.806 0.360 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.738 -7.135 0.685 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.538 -2.929 1.295 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.392 -7.349 1.367 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.193 -3.144 1.984 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.116 -5.354 2.026 1.00 0.00 H new ATOM 676 N SER A 44 -8.092 -6.794 3.072 1.00 0.00 N ATOM 677 CA SER A 44 -7.627 -8.053 3.611 1.00 0.00 C ATOM 678 C SER A 44 -8.593 -8.569 4.674 1.00 0.00 C ATOM 679 O SER A 44 -8.520 -9.725 5.088 1.00 0.00 O ATOM 680 CB SER A 44 -6.219 -7.915 4.160 1.00 0.00 C ATOM 681 OG SER A 44 -6.188 -7.129 5.343 1.00 0.00 O ATOM 0 H SER A 44 -7.701 -5.962 3.513 1.00 0.00 H new ATOM 0 HA SER A 44 -7.596 -8.786 2.805 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.812 -8.904 4.370 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.577 -7.461 3.405 1.00 0.00 H new ATOM 0 HG SER A 44 -5.316 -7.228 5.779 1.00 0.00 H new ATOM 687 N GLU A 45 -9.481 -7.687 5.129 1.00 0.00 N ATOM 688 CA GLU A 45 -10.569 -8.071 6.019 1.00 0.00 C ATOM 689 C GLU A 45 -11.384 -9.194 5.377 1.00 0.00 C ATOM 690 O GLU A 45 -11.818 -10.127 6.055 1.00 0.00 O ATOM 691 CB GLU A 45 -11.458 -6.859 6.308 1.00 0.00 C ATOM 692 CG GLU A 45 -12.587 -7.121 7.288 1.00 0.00 C ATOM 693 CD GLU A 45 -12.101 -7.337 8.706 1.00 0.00 C ATOM 694 OE1 GLU A 45 -11.897 -6.339 9.432 1.00 0.00 O ATOM 695 OE2 GLU A 45 -11.935 -8.506 9.112 1.00 0.00 O ATOM 0 H GLU A 45 -9.465 -6.695 4.892 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.158 -8.430 6.962 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.836 -6.054 6.698 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.884 -6.506 5.369 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.278 -6.278 7.271 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -13.146 -7.999 6.964 1.00 0.00 H new ATOM 702 N GLN A 46 -11.580 -9.104 4.062 1.00 0.00 N ATOM 703 CA GLN A 46 -12.239 -10.169 3.328 1.00 0.00 C ATOM 704 C GLN A 46 -11.233 -11.189 2.804 1.00 0.00 C ATOM 705 O GLN A 46 -11.510 -12.388 2.799 1.00 0.00 O ATOM 706 CB GLN A 46 -13.083 -9.621 2.174 1.00 0.00 C ATOM 707 CG GLN A 46 -14.359 -8.941 2.636 1.00 0.00 C ATOM 708 CD GLN A 46 -14.211 -7.446 2.807 1.00 0.00 C ATOM 709 OE1 GLN A 46 -13.474 -6.794 2.070 1.00 0.00 O ATOM 710 NE2 GLN A 46 -14.901 -6.896 3.790 1.00 0.00 N ATOM 0 H GLN A 46 -11.292 -8.309 3.492 1.00 0.00 H new ATOM 0 HA GLN A 46 -12.906 -10.671 4.030 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -12.487 -8.910 1.602 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.338 -10.438 1.499 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -15.151 -9.141 1.914 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -14.673 -9.379 3.583 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -15.501 -7.475 4.378 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -14.834 -5.893 3.961 1.00 0.00 H new ATOM 719 N TYR A 47 -10.069 -10.726 2.361 1.00 0.00 N ATOM 720 CA TYR A 47 -9.061 -11.636 1.830 1.00 0.00 C ATOM 721 C TYR A 47 -7.664 -11.372 2.398 1.00 0.00 C ATOM 722 O TYR A 47 -6.888 -10.588 1.857 1.00 0.00 O ATOM 723 CB TYR A 47 -9.052 -11.597 0.301 1.00 0.00 C ATOM 724 CG TYR A 47 -9.114 -10.218 -0.315 1.00 0.00 C ATOM 725 CD1 TYR A 47 -7.984 -9.412 -0.422 1.00 0.00 C ATOM 726 CD2 TYR A 47 -10.316 -9.732 -0.808 1.00 0.00 C ATOM 727 CE1 TYR A 47 -8.060 -8.162 -1.003 1.00 0.00 C ATOM 728 CE2 TYR A 47 -10.395 -8.484 -1.388 1.00 0.00 C ATOM 729 CZ TYR A 47 -9.265 -7.707 -1.483 1.00 0.00 C ATOM 730 OH TYR A 47 -9.342 -6.463 -2.047 1.00 0.00 O ATOM 0 H TYR A 47 -9.803 -9.741 2.358 1.00 0.00 H new ATOM 0 HA TYR A 47 -9.338 -12.639 2.153 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.148 -12.093 -0.052 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.899 -12.178 -0.065 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -7.037 -9.769 -0.046 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.205 -10.341 -0.736 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.177 -7.545 -1.080 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.339 -8.119 -1.765 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.582 -6.547 -2.993 1.00 0.00 H new ATOM 740 N PRO A 48 -7.318 -12.038 3.507 1.00 0.00 N ATOM 741 CA PRO A 48 -5.984 -11.935 4.111 1.00 0.00 C ATOM 742 C PRO A 48 -4.899 -12.612 3.265 1.00 0.00 C ATOM 743 O PRO A 48 -3.725 -12.624 3.637 1.00 0.00 O ATOM 744 CB PRO A 48 -6.148 -12.636 5.458 1.00 0.00 C ATOM 745 CG PRO A 48 -7.269 -13.595 5.253 1.00 0.00 C ATOM 746 CD PRO A 48 -8.204 -12.933 4.281 1.00 0.00 C ATOM 0 HA PRO A 48 -5.655 -10.900 4.198 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -5.233 -13.153 5.749 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -6.377 -11.923 6.250 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -6.904 -14.544 4.860 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -7.774 -13.813 6.194 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -8.698 -13.662 3.639 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -8.988 -12.376 4.794 1.00 0.00 H new ATOM 754 N GLN A 49 -5.306 -13.183 2.129 1.00 0.00 N ATOM 755 CA GLN A 49 -4.381 -13.852 1.215 1.00 0.00 C ATOM 756 C GLN A 49 -3.389 -12.875 0.590 1.00 0.00 C ATOM 757 O GLN A 49 -2.384 -13.285 0.012 1.00 0.00 O ATOM 758 CB GLN A 49 -5.148 -14.585 0.121 1.00 0.00 C ATOM 759 CG GLN A 49 -6.104 -13.684 -0.590 1.00 0.00 C ATOM 760 CD GLN A 49 -5.697 -13.387 -2.020 1.00 0.00 C ATOM 761 OE1 GLN A 49 -6.074 -14.105 -2.944 1.00 0.00 O ATOM 762 NE2 GLN A 49 -4.928 -12.327 -2.213 1.00 0.00 N ATOM 0 H GLN A 49 -6.278 -13.194 1.820 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.813 -14.573 1.803 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.443 -15.005 -0.597 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.694 -15.421 0.558 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.093 -14.142 -0.589 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.186 -12.746 -0.041 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.637 -11.757 -1.419 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.627 -12.080 -3.156 1.00 0.00 H new ATOM 771 N ALA A 50 -3.675 -11.585 0.698 1.00 0.00 N ATOM 772 CA ALA A 50 -2.749 -10.565 0.230 1.00 0.00 C ATOM 773 C ALA A 50 -2.016 -9.986 1.420 1.00 0.00 C ATOM 774 O ALA A 50 -2.534 -10.019 2.537 1.00 0.00 O ATOM 775 CB ALA A 50 -3.491 -9.466 -0.506 1.00 0.00 C ATOM 0 H ALA A 50 -4.537 -11.222 1.104 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.037 -11.016 -0.461 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.781 -8.713 -0.848 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.011 -9.890 -1.365 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.215 -9.004 0.165 1.00 0.00 H new ATOM 781 N ASP A 51 -0.823 -9.448 1.210 1.00 0.00 N ATOM 782 CA ASP A 51 -0.071 -8.941 2.339 1.00 0.00 C ATOM 783 C ASP A 51 -0.364 -7.476 2.567 1.00 0.00 C ATOM 784 O ASP A 51 -0.266 -6.647 1.661 1.00 0.00 O ATOM 785 CB ASP A 51 1.437 -9.162 2.213 1.00 0.00 C ATOM 786 CG ASP A 51 1.967 -9.993 3.368 1.00 0.00 C ATOM 787 OD1 ASP A 51 1.708 -9.625 4.530 1.00 0.00 O ATOM 788 OD2 ASP A 51 2.642 -11.015 3.125 1.00 0.00 O ATOM 0 H ASP A 51 -0.371 -9.354 0.301 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.402 -9.518 3.203 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.657 -9.663 1.270 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.948 -8.199 2.189 1.00 0.00 H new ATOM 793 N PHE A 52 -0.719 -7.185 3.801 1.00 0.00 N ATOM 794 CA PHE A 52 -1.173 -5.872 4.207 1.00 0.00 C ATOM 795 C PHE A 52 -0.064 -5.096 4.902 1.00 0.00 C ATOM 796 O PHE A 52 0.407 -5.492 5.970 1.00 0.00 O ATOM 797 CB PHE A 52 -2.367 -6.034 5.151 1.00 0.00 C ATOM 798 CG PHE A 52 -2.355 -7.330 5.923 1.00 0.00 C ATOM 799 CD1 PHE A 52 -1.594 -7.466 7.073 1.00 0.00 C ATOM 800 CD2 PHE A 52 -3.098 -8.416 5.488 1.00 0.00 C ATOM 801 CE1 PHE A 52 -1.577 -8.656 7.774 1.00 0.00 C ATOM 802 CE2 PHE A 52 -3.083 -9.609 6.185 1.00 0.00 C ATOM 803 CZ PHE A 52 -2.322 -9.729 7.329 1.00 0.00 C ATOM 0 H PHE A 52 -0.700 -7.865 4.561 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.466 -5.310 3.321 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.379 -5.202 5.855 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.288 -5.974 4.572 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.007 -6.631 7.426 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.696 -8.329 4.593 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.981 -8.747 8.670 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.667 -10.447 5.834 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.309 -10.661 7.875 1.00 0.00 H new ATOM 813 N TYR A 53 0.356 -3.992 4.301 1.00 0.00 N ATOM 814 CA TYR A 53 1.367 -3.142 4.913 1.00 0.00 C ATOM 815 C TYR A 53 1.022 -1.664 4.752 1.00 0.00 C ATOM 816 O TYR A 53 0.361 -1.279 3.800 1.00 0.00 O ATOM 817 CB TYR A 53 2.745 -3.433 4.317 1.00 0.00 C ATOM 818 CG TYR A 53 3.255 -4.835 4.577 1.00 0.00 C ATOM 819 CD1 TYR A 53 3.853 -5.159 5.787 1.00 0.00 C ATOM 820 CD2 TYR A 53 3.148 -5.829 3.611 1.00 0.00 C ATOM 821 CE1 TYR A 53 4.332 -6.430 6.029 1.00 0.00 C ATOM 822 CE2 TYR A 53 3.627 -7.105 3.844 1.00 0.00 C ATOM 823 CZ TYR A 53 4.220 -7.398 5.056 1.00 0.00 C ATOM 824 OH TYR A 53 4.702 -8.664 5.297 1.00 0.00 O ATOM 0 H TYR A 53 0.015 -3.665 3.397 1.00 0.00 H new ATOM 0 HA TYR A 53 1.390 -3.368 5.979 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.704 -3.268 3.240 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.461 -2.718 4.722 1.00 0.00 H new ATOM 0 HD1 TYR A 53 3.945 -4.403 6.553 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.683 -5.601 2.663 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.793 -6.665 6.977 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.538 -7.867 3.084 1.00 0.00 H new ATOM 0 HH TYR A 53 3.988 -9.319 5.151 1.00 0.00 H new ATOM 834 N LYS A 54 1.471 -0.858 5.708 1.00 0.00 N ATOM 835 CA LYS A 54 1.190 0.577 5.760 1.00 0.00 C ATOM 836 C LYS A 54 2.465 1.353 6.070 1.00 0.00 C ATOM 837 O LYS A 54 3.416 0.787 6.613 1.00 0.00 O ATOM 838 CB LYS A 54 0.182 0.865 6.877 1.00 0.00 C ATOM 839 CG LYS A 54 -1.285 0.777 6.497 1.00 0.00 C ATOM 840 CD LYS A 54 -2.188 1.119 7.678 1.00 0.00 C ATOM 841 CE LYS A 54 -1.832 0.315 8.923 1.00 0.00 C ATOM 842 NZ LYS A 54 -2.736 0.620 10.063 1.00 0.00 N ATOM 0 H LYS A 54 2.049 -1.186 6.482 1.00 0.00 H new ATOM 0 HA LYS A 54 0.791 0.883 4.793 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.367 0.167 7.693 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.376 1.865 7.264 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.490 1.458 5.671 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.511 -0.229 6.144 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.108 2.183 7.899 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.226 0.927 7.408 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.885 -0.749 8.694 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.802 0.529 9.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.458 0.051 10.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.668 1.630 10.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.716 0.392 9.800 1.00 0.00 H new ATOM 856 N LEU A 55 2.487 2.639 5.726 1.00 0.00 N ATOM 857 CA LEU A 55 3.553 3.529 6.157 1.00 0.00 C ATOM 858 C LEU A 55 3.114 4.993 6.054 1.00 0.00 C ATOM 859 O LEU A 55 2.409 5.375 5.116 1.00 0.00 O ATOM 860 CB LEU A 55 4.822 3.267 5.339 1.00 0.00 C ATOM 861 CG LEU A 55 6.002 4.190 5.636 1.00 0.00 C ATOM 862 CD1 LEU A 55 7.315 3.465 5.395 1.00 0.00 C ATOM 863 CD2 LEU A 55 5.915 5.427 4.762 1.00 0.00 C ATOM 0 H LEU A 55 1.775 3.085 5.148 1.00 0.00 H new ATOM 0 HA LEU A 55 3.777 3.327 7.205 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.137 2.238 5.511 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.575 3.352 4.281 1.00 0.00 H new ATOM 0 HG LEU A 55 5.963 4.490 6.683 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.146 4.136 5.611 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.374 2.593 6.046 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.368 3.145 4.354 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.758 6.084 4.976 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.941 5.134 3.713 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.983 5.954 4.969 1.00 0.00 H new ATOM 875 N ASP A 56 3.526 5.797 7.032 1.00 0.00 N ATOM 876 CA ASP A 56 3.275 7.232 7.019 1.00 0.00 C ATOM 877 C ASP A 56 4.438 7.962 6.364 1.00 0.00 C ATOM 878 O ASP A 56 5.557 7.927 6.874 1.00 0.00 O ATOM 879 CB ASP A 56 3.120 7.769 8.443 1.00 0.00 C ATOM 880 CG ASP A 56 1.894 7.255 9.160 1.00 0.00 C ATOM 881 OD1 ASP A 56 0.829 7.895 9.054 1.00 0.00 O ATOM 882 OD2 ASP A 56 2.002 6.234 9.870 1.00 0.00 O ATOM 0 H ASP A 56 4.040 5.472 7.851 1.00 0.00 H new ATOM 0 HA ASP A 56 2.356 7.402 6.459 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.005 7.502 9.020 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.079 8.858 8.408 1.00 0.00 H new ATOM 887 N VAL A 57 4.180 8.635 5.247 1.00 0.00 N ATOM 888 CA VAL A 57 5.209 9.424 4.578 1.00 0.00 C ATOM 889 C VAL A 57 5.617 10.596 5.467 1.00 0.00 C ATOM 890 O VAL A 57 6.678 11.194 5.295 1.00 0.00 O ATOM 891 CB VAL A 57 4.715 9.954 3.217 1.00 0.00 C ATOM 892 CG1 VAL A 57 3.893 8.890 2.503 1.00 0.00 C ATOM 893 CG2 VAL A 57 3.914 11.236 3.395 1.00 0.00 C ATOM 0 H VAL A 57 3.270 8.650 4.787 1.00 0.00 H new ATOM 0 HA VAL A 57 6.068 8.777 4.399 1.00 0.00 H new ATOM 0 HB VAL A 57 5.583 10.187 2.600 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.551 9.278 1.544 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.508 8.005 2.338 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.031 8.624 3.115 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.576 11.592 2.422 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.050 11.040 4.030 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.542 11.996 3.861 1.00 0.00 H new ATOM 903 N ASP A 58 4.741 10.907 6.420 1.00 0.00 N ATOM 904 CA ASP A 58 5.004 11.922 7.430 1.00 0.00 C ATOM 905 C ASP A 58 6.250 11.561 8.219 1.00 0.00 C ATOM 906 O ASP A 58 7.063 12.421 8.556 1.00 0.00 O ATOM 907 CB ASP A 58 3.797 12.033 8.367 1.00 0.00 C ATOM 908 CG ASP A 58 4.066 12.870 9.604 1.00 0.00 C ATOM 909 OD1 ASP A 58 3.946 14.107 9.528 1.00 0.00 O ATOM 910 OD2 ASP A 58 4.382 12.286 10.663 1.00 0.00 O ATOM 0 H ASP A 58 3.829 10.460 6.511 1.00 0.00 H new ATOM 0 HA ASP A 58 5.169 12.883 6.943 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.961 12.467 7.819 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.492 11.033 8.674 1.00 0.00 H new ATOM 915 N GLU A 59 6.400 10.274 8.484 1.00 0.00 N ATOM 916 CA GLU A 59 7.538 9.780 9.232 1.00 0.00 C ATOM 917 C GLU A 59 8.635 9.281 8.287 1.00 0.00 C ATOM 918 O GLU A 59 9.819 9.490 8.539 1.00 0.00 O ATOM 919 CB GLU A 59 7.090 8.665 10.176 1.00 0.00 C ATOM 920 CG GLU A 59 8.177 8.195 11.125 1.00 0.00 C ATOM 921 CD GLU A 59 7.709 7.089 12.043 1.00 0.00 C ATOM 922 OE1 GLU A 59 7.103 7.397 13.091 1.00 0.00 O ATOM 923 OE2 GLU A 59 7.948 5.906 11.726 1.00 0.00 O ATOM 0 H GLU A 59 5.743 9.551 8.190 1.00 0.00 H new ATOM 0 HA GLU A 59 7.953 10.597 9.822 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.238 9.015 10.759 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.745 7.817 9.584 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.032 7.845 10.547 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.521 9.038 11.724 1.00 0.00 H new ATOM 930 N LEU A 60 8.241 8.627 7.195 1.00 0.00 N ATOM 931 CA LEU A 60 9.210 8.084 6.241 1.00 0.00 C ATOM 932 C LEU A 60 9.011 8.666 4.840 1.00 0.00 C ATOM 933 O LEU A 60 8.492 7.997 3.938 1.00 0.00 O ATOM 934 CB LEU A 60 9.124 6.555 6.169 1.00 0.00 C ATOM 935 CG LEU A 60 9.582 5.781 7.408 1.00 0.00 C ATOM 936 CD1 LEU A 60 10.865 6.367 7.968 1.00 0.00 C ATOM 937 CD2 LEU A 60 8.490 5.745 8.465 1.00 0.00 C ATOM 0 H LEU A 60 7.265 8.461 6.949 1.00 0.00 H new ATOM 0 HA LEU A 60 10.197 8.371 6.603 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.090 6.282 5.960 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.719 6.220 5.320 1.00 0.00 H new ATOM 0 HG LEU A 60 9.786 4.754 7.106 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.170 5.800 8.848 1.00 0.00 H new ATOM 0 HD12 LEU A 60 11.649 6.315 7.213 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.698 7.408 8.247 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.843 5.189 9.334 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.239 6.763 8.763 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.605 5.257 8.057 1.00 0.00 H new ATOM 949 N GLY A 61 9.448 9.904 4.658 1.00 0.00 N ATOM 950 CA GLY A 61 9.329 10.553 3.366 1.00 0.00 C ATOM 951 C GLY A 61 10.248 9.940 2.329 1.00 0.00 C ATOM 952 O GLY A 61 9.878 9.801 1.161 1.00 0.00 O ATOM 0 H GLY A 61 9.884 10.473 5.384 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.297 10.484 3.021 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.559 11.613 3.472 1.00 0.00 H new ATOM 956 N ASP A 62 11.445 9.557 2.762 1.00 0.00 N ATOM 957 CA ASP A 62 12.434 8.953 1.870 1.00 0.00 C ATOM 958 C ASP A 62 11.932 7.637 1.317 1.00 0.00 C ATOM 959 O ASP A 62 12.182 7.295 0.161 1.00 0.00 O ATOM 960 CB ASP A 62 13.756 8.743 2.611 1.00 0.00 C ATOM 961 CG ASP A 62 14.776 7.984 1.787 1.00 0.00 C ATOM 962 OD1 ASP A 62 15.429 8.607 0.923 1.00 0.00 O ATOM 963 OD2 ASP A 62 14.937 6.764 2.008 1.00 0.00 O ATOM 0 H ASP A 62 11.756 9.654 3.729 1.00 0.00 H new ATOM 0 HA ASP A 62 12.599 9.634 1.035 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.169 9.712 2.889 1.00 0.00 H new ATOM 0 HB3 ASP A 62 13.566 8.200 3.537 1.00 0.00 H new ATOM 968 N VAL A 63 11.202 6.916 2.140 1.00 0.00 N ATOM 969 CA VAL A 63 10.627 5.653 1.728 1.00 0.00 C ATOM 970 C VAL A 63 9.609 5.875 0.622 1.00 0.00 C ATOM 971 O VAL A 63 9.660 5.208 -0.402 1.00 0.00 O ATOM 972 CB VAL A 63 9.954 4.922 2.891 1.00 0.00 C ATOM 973 CG1 VAL A 63 9.367 3.605 2.416 1.00 0.00 C ATOM 974 CG2 VAL A 63 10.941 4.680 4.021 1.00 0.00 C ATOM 0 H VAL A 63 10.992 7.184 3.102 1.00 0.00 H new ATOM 0 HA VAL A 63 11.446 5.032 1.364 1.00 0.00 H new ATOM 0 HB VAL A 63 9.148 5.551 3.269 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.891 3.095 3.254 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.626 3.796 1.639 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.161 2.977 2.013 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.440 4.159 4.837 1.00 0.00 H new ATOM 0 HG22 VAL A 63 11.769 4.072 3.657 1.00 0.00 H new ATOM 0 HG23 VAL A 63 11.323 5.635 4.381 1.00 0.00 H new ATOM 984 N ALA A 64 8.699 6.828 0.821 1.00 0.00 N ATOM 985 CA ALA A 64 7.711 7.162 -0.193 1.00 0.00 C ATOM 986 C ALA A 64 8.383 7.440 -1.531 1.00 0.00 C ATOM 987 O ALA A 64 7.909 7.012 -2.584 1.00 0.00 O ATOM 988 CB ALA A 64 6.896 8.366 0.244 1.00 0.00 C ATOM 0 H ALA A 64 8.629 7.380 1.676 1.00 0.00 H new ATOM 0 HA ALA A 64 7.044 6.309 -0.315 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.160 8.605 -0.524 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.384 8.139 1.179 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.558 9.219 0.391 1.00 0.00 H new ATOM 994 N GLN A 65 9.518 8.115 -1.475 1.00 0.00 N ATOM 995 CA GLN A 65 10.244 8.478 -2.686 1.00 0.00 C ATOM 996 C GLN A 65 10.949 7.261 -3.271 1.00 0.00 C ATOM 997 O GLN A 65 11.143 7.160 -4.482 1.00 0.00 O ATOM 998 CB GLN A 65 11.241 9.597 -2.388 1.00 0.00 C ATOM 999 CG GLN A 65 10.575 10.871 -1.893 1.00 0.00 C ATOM 1000 CD GLN A 65 9.654 11.486 -2.933 1.00 0.00 C ATOM 1001 OE1 GLN A 65 10.075 12.316 -3.741 1.00 0.00 O ATOM 1002 NE2 GLN A 65 8.393 11.085 -2.923 1.00 0.00 N ATOM 0 H GLN A 65 9.958 8.423 -0.608 1.00 0.00 H new ATOM 0 HA GLN A 65 9.532 8.842 -3.426 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.953 9.251 -1.639 1.00 0.00 H new ATOM 0 HB3 GLN A 65 11.810 9.819 -3.291 1.00 0.00 H new ATOM 0 HG2 GLN A 65 10.004 10.652 -0.991 1.00 0.00 H new ATOM 0 HG3 GLN A 65 11.342 11.595 -1.617 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.082 10.396 -2.238 1.00 0.00 H new ATOM 0 HE22 GLN A 65 7.732 11.465 -3.600 1.00 0.00 H new ATOM 1011 N LYS A 66 11.315 6.335 -2.397 1.00 0.00 N ATOM 1012 CA LYS A 66 11.904 5.071 -2.792 1.00 0.00 C ATOM 1013 C LYS A 66 10.928 4.251 -3.645 1.00 0.00 C ATOM 1014 O LYS A 66 11.341 3.464 -4.497 1.00 0.00 O ATOM 1015 CB LYS A 66 12.314 4.310 -1.514 1.00 0.00 C ATOM 1016 CG LYS A 66 11.831 2.872 -1.428 1.00 0.00 C ATOM 1017 CD LYS A 66 12.690 1.902 -2.226 1.00 0.00 C ATOM 1018 CE LYS A 66 14.117 1.849 -1.714 1.00 0.00 C ATOM 1019 NZ LYS A 66 14.846 0.676 -2.257 1.00 0.00 N ATOM 0 H LYS A 66 11.210 6.443 -1.388 1.00 0.00 H new ATOM 0 HA LYS A 66 12.785 5.248 -3.409 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.402 4.315 -1.442 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.935 4.855 -0.650 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.819 2.562 -0.383 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.804 2.818 -1.788 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.251 0.906 -2.178 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.692 2.199 -3.275 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.639 2.764 -1.993 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.113 1.804 -0.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 15.870 0.837 -2.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 14.587 -0.174 -1.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 14.592 0.542 -3.256 1.00 0.00 H new ATOM 1033 N ASN A 67 9.635 4.467 -3.439 1.00 0.00 N ATOM 1034 CA ASN A 67 8.615 3.613 -4.024 1.00 0.00 C ATOM 1035 C ASN A 67 7.942 4.285 -5.191 1.00 0.00 C ATOM 1036 O ASN A 67 7.213 3.635 -5.943 1.00 0.00 O ATOM 1037 CB ASN A 67 7.546 3.320 -3.001 1.00 0.00 C ATOM 1038 CG ASN A 67 8.094 2.920 -1.665 1.00 0.00 C ATOM 1039 OD1 ASN A 67 8.999 2.101 -1.563 1.00 0.00 O ATOM 1040 ND2 ASN A 67 7.573 3.546 -0.635 1.00 0.00 N ATOM 0 H ASN A 67 9.269 5.230 -2.869 1.00 0.00 H new ATOM 0 HA ASN A 67 9.109 2.700 -4.356 1.00 0.00 H new ATOM 0 HB2 ASN A 67 6.919 4.203 -2.879 1.00 0.00 H new ATOM 0 HB3 ASN A 67 6.904 2.523 -3.376 1.00 0.00 H new ATOM 0 HD21 ASN A 67 7.921 3.359 0.305 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.820 4.220 -0.775 1.00 0.00 H new ATOM 1047 N GLU A 68 8.180 5.590 -5.312 1.00 0.00 N ATOM 1048 CA GLU A 68 7.556 6.425 -6.331 1.00 0.00 C ATOM 1049 C GLU A 68 6.145 6.829 -5.919 1.00 0.00 C ATOM 1050 O GLU A 68 5.257 6.985 -6.760 1.00 0.00 O ATOM 1051 CB GLU A 68 7.524 5.725 -7.689 1.00 0.00 C ATOM 1052 CG GLU A 68 8.903 5.414 -8.248 1.00 0.00 C ATOM 1053 CD GLU A 68 8.842 4.538 -9.477 1.00 0.00 C ATOM 1054 OE1 GLU A 68 8.406 5.027 -10.540 1.00 0.00 O ATOM 1055 OE2 GLU A 68 9.225 3.354 -9.388 1.00 0.00 O ATOM 0 H GLU A 68 8.817 6.099 -4.699 1.00 0.00 H new ATOM 0 HA GLU A 68 8.165 7.324 -6.426 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.961 4.796 -7.596 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.987 6.353 -8.399 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.411 6.346 -8.495 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.500 4.919 -7.482 1.00 0.00 H new ATOM 1062 N VAL A 69 5.935 6.967 -4.615 1.00 0.00 N ATOM 1063 CA VAL A 69 4.703 7.547 -4.107 1.00 0.00 C ATOM 1064 C VAL A 69 4.971 8.945 -3.549 1.00 0.00 C ATOM 1065 O VAL A 69 5.606 9.106 -2.505 1.00 0.00 O ATOM 1066 CB VAL A 69 3.990 6.644 -3.056 1.00 0.00 C ATOM 1067 CG1 VAL A 69 4.958 5.976 -2.087 1.00 0.00 C ATOM 1068 CG2 VAL A 69 2.951 7.441 -2.283 1.00 0.00 C ATOM 0 H VAL A 69 6.600 6.686 -3.895 1.00 0.00 H new ATOM 0 HA VAL A 69 4.014 7.625 -4.948 1.00 0.00 H new ATOM 0 HB VAL A 69 3.500 5.849 -3.618 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.400 5.361 -1.381 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.654 5.348 -2.643 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.513 6.740 -1.543 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.464 6.793 -1.554 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.438 8.268 -1.766 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.206 7.834 -2.974 1.00 0.00 H new ATOM 1078 N SER A 70 4.511 9.956 -4.274 1.00 0.00 N ATOM 1079 CA SER A 70 4.685 11.340 -3.859 1.00 0.00 C ATOM 1080 C SER A 70 3.335 11.991 -3.566 1.00 0.00 C ATOM 1081 O SER A 70 3.268 13.094 -3.021 1.00 0.00 O ATOM 1082 CB SER A 70 5.439 12.123 -4.934 1.00 0.00 C ATOM 1083 OG SER A 70 6.729 11.571 -5.149 1.00 0.00 O ATOM 0 H SER A 70 4.012 9.842 -5.156 1.00 0.00 H new ATOM 0 HA SER A 70 5.273 11.354 -2.941 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.873 12.108 -5.865 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.531 13.167 -4.633 1.00 0.00 H new ATOM 0 HG SER A 70 7.194 12.086 -5.841 1.00 0.00 H new ATOM 1089 N ALA A 71 2.265 11.304 -3.934 1.00 0.00 N ATOM 1090 CA ALA A 71 0.919 11.753 -3.621 1.00 0.00 C ATOM 1091 C ALA A 71 0.339 10.886 -2.518 1.00 0.00 C ATOM 1092 O ALA A 71 0.590 9.684 -2.474 1.00 0.00 O ATOM 1093 CB ALA A 71 0.037 11.704 -4.857 1.00 0.00 C ATOM 0 H ALA A 71 2.305 10.427 -4.454 1.00 0.00 H new ATOM 0 HA ALA A 71 0.960 12.787 -3.278 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.967 12.044 -4.602 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.454 12.352 -5.628 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.011 10.681 -5.230 1.00 0.00 H new ATOM 1099 N MET A 72 -0.415 11.486 -1.614 1.00 0.00 N ATOM 1100 CA MET A 72 -0.986 10.744 -0.503 1.00 0.00 C ATOM 1101 C MET A 72 -2.472 11.038 -0.366 1.00 0.00 C ATOM 1102 O MET A 72 -2.905 12.177 -0.548 1.00 0.00 O ATOM 1103 CB MET A 72 -0.264 11.073 0.812 1.00 0.00 C ATOM 1104 CG MET A 72 1.223 10.745 0.799 1.00 0.00 C ATOM 1105 SD MET A 72 2.218 12.013 -0.013 1.00 0.00 S ATOM 1106 CE MET A 72 3.808 11.190 -0.114 1.00 0.00 C ATOM 0 H MET A 72 -0.646 12.480 -1.626 1.00 0.00 H new ATOM 0 HA MET A 72 -0.854 9.683 -0.713 1.00 0.00 H new ATOM 0 HB2 MET A 72 -0.390 12.134 1.029 1.00 0.00 H new ATOM 0 HB3 MET A 72 -0.740 10.523 1.624 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.571 10.620 1.824 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.375 9.792 0.292 1.00 0.00 H new ATOM 0 HE1 MET A 72 4.362 11.573 -0.971 1.00 0.00 H new ATOM 0 HE2 MET A 72 4.374 11.379 0.798 1.00 0.00 H new ATOM 0 HE3 MET A 72 3.656 10.117 -0.231 1.00 0.00 H new ATOM 1116 N PRO A 73 -3.276 10.012 -0.046 1.00 0.00 N ATOM 1117 CA PRO A 73 -2.786 8.642 0.127 1.00 0.00 C ATOM 1118 C PRO A 73 -2.600 7.891 -1.200 1.00 0.00 C ATOM 1119 O PRO A 73 -3.113 8.306 -2.239 1.00 0.00 O ATOM 1120 CB PRO A 73 -3.873 7.994 0.980 1.00 0.00 C ATOM 1121 CG PRO A 73 -5.132 8.746 0.683 1.00 0.00 C ATOM 1122 CD PRO A 73 -4.726 10.119 0.204 1.00 0.00 C ATOM 0 HA PRO A 73 -1.795 8.619 0.580 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -3.983 6.937 0.736 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.624 8.052 2.040 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.718 8.230 -0.078 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.757 8.818 1.573 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.265 10.398 -0.701 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.944 10.881 0.953 1.00 0.00 H new ATOM 1130 N THR A 74 -1.855 6.790 -1.142 1.00 0.00 N ATOM 1131 CA THR A 74 -1.512 5.994 -2.316 1.00 0.00 C ATOM 1132 C THR A 74 -1.364 4.520 -1.954 1.00 0.00 C ATOM 1133 O THR A 74 -0.802 4.172 -0.917 1.00 0.00 O ATOM 1134 CB THR A 74 -0.195 6.501 -2.955 1.00 0.00 C ATOM 1135 OG1 THR A 74 -0.451 7.672 -3.733 1.00 0.00 O ATOM 1136 CG2 THR A 74 0.483 5.444 -3.824 1.00 0.00 C ATOM 0 H THR A 74 -1.470 6.423 -0.272 1.00 0.00 H new ATOM 0 HA THR A 74 -2.325 6.101 -3.034 1.00 0.00 H new ATOM 0 HB THR A 74 0.487 6.734 -2.138 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.384 8.465 -3.162 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.401 5.854 -4.246 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.721 4.571 -3.216 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.188 5.151 -4.631 1.00 0.00 H new ATOM 1144 N LEU A 75 -1.889 3.669 -2.813 1.00 0.00 N ATOM 1145 CA LEU A 75 -1.724 2.237 -2.675 1.00 0.00 C ATOM 1146 C LEU A 75 -0.741 1.740 -3.726 1.00 0.00 C ATOM 1147 O LEU A 75 -0.882 2.065 -4.906 1.00 0.00 O ATOM 1148 CB LEU A 75 -3.050 1.519 -2.890 1.00 0.00 C ATOM 1149 CG LEU A 75 -4.204 1.925 -1.976 1.00 0.00 C ATOM 1150 CD1 LEU A 75 -5.108 2.956 -2.652 1.00 0.00 C ATOM 1151 CD2 LEU A 75 -4.991 0.691 -1.582 1.00 0.00 C ATOM 0 H LEU A 75 -2.440 3.950 -3.624 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.357 2.030 -1.670 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.361 1.679 -3.922 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.881 0.449 -2.770 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.796 2.391 -1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.920 3.226 -1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.527 3.846 -2.894 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.522 2.533 -3.567 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.815 0.978 -0.929 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.387 0.211 -2.477 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.337 -0.005 -1.056 1.00 0.00 H new ATOM 1163 N LEU A 76 0.246 0.968 -3.314 1.00 0.00 N ATOM 1164 CA LEU A 76 1.173 0.374 -4.261 1.00 0.00 C ATOM 1165 C LEU A 76 1.135 -1.146 -4.159 1.00 0.00 C ATOM 1166 O LEU A 76 1.494 -1.722 -3.132 1.00 0.00 O ATOM 1167 CB LEU A 76 2.592 0.904 -4.033 1.00 0.00 C ATOM 1168 CG LEU A 76 3.221 1.605 -5.245 1.00 0.00 C ATOM 1169 CD1 LEU A 76 4.607 2.143 -4.904 1.00 0.00 C ATOM 1170 CD2 LEU A 76 3.287 0.649 -6.432 1.00 0.00 C ATOM 0 H LEU A 76 0.427 0.738 -2.337 1.00 0.00 H new ATOM 0 HA LEU A 76 0.868 0.655 -5.269 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.574 1.603 -3.196 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.232 0.072 -3.740 1.00 0.00 H new ATOM 0 HG LEU A 76 2.592 2.453 -5.518 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.032 2.635 -5.779 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.528 2.860 -4.087 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.253 1.319 -4.602 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.735 1.159 -7.285 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.893 -0.218 -6.168 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.280 0.322 -6.692 1.00 0.00 H new ATOM 1182 N LEU A 77 0.668 -1.783 -5.225 1.00 0.00 N ATOM 1183 CA LEU A 77 0.559 -3.234 -5.287 1.00 0.00 C ATOM 1184 C LEU A 77 1.779 -3.794 -6.004 1.00 0.00 C ATOM 1185 O LEU A 77 2.159 -3.294 -7.067 1.00 0.00 O ATOM 1186 CB LEU A 77 -0.707 -3.656 -6.056 1.00 0.00 C ATOM 1187 CG LEU A 77 -2.078 -3.475 -5.371 1.00 0.00 C ATOM 1188 CD1 LEU A 77 -2.119 -2.266 -4.448 1.00 0.00 C ATOM 1189 CD2 LEU A 77 -3.137 -3.327 -6.442 1.00 0.00 C ATOM 0 H LEU A 77 0.354 -1.308 -6.071 1.00 0.00 H new ATOM 0 HA LEU A 77 0.499 -3.622 -4.270 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.728 -3.098 -6.992 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.602 -4.710 -6.315 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.261 -4.354 -4.753 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.107 -2.188 -3.994 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.368 -2.380 -3.666 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.911 -1.363 -5.022 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.113 -3.198 -5.974 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.912 -2.456 -7.058 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.150 -4.220 -7.067 1.00 0.00 H new ATOM 1201 N PHE A 78 2.385 -4.827 -5.445 1.00 0.00 N ATOM 1202 CA PHE A 78 3.567 -5.428 -6.049 1.00 0.00 C ATOM 1203 C PHE A 78 3.436 -6.948 -6.162 1.00 0.00 C ATOM 1204 O PHE A 78 2.714 -7.572 -5.385 1.00 0.00 O ATOM 1205 CB PHE A 78 4.811 -5.104 -5.229 1.00 0.00 C ATOM 1206 CG PHE A 78 5.344 -3.712 -5.427 1.00 0.00 C ATOM 1207 CD1 PHE A 78 4.828 -2.648 -4.714 1.00 0.00 C ATOM 1208 CD2 PHE A 78 6.380 -3.476 -6.315 1.00 0.00 C ATOM 1209 CE1 PHE A 78 5.335 -1.379 -4.884 1.00 0.00 C ATOM 1210 CE2 PHE A 78 6.888 -2.206 -6.493 1.00 0.00 C ATOM 1211 CZ PHE A 78 6.364 -1.155 -5.775 1.00 0.00 C ATOM 0 H PHE A 78 2.081 -5.268 -4.577 1.00 0.00 H new ATOM 0 HA PHE A 78 3.659 -5.008 -7.050 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.581 -5.244 -4.173 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.594 -5.819 -5.483 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.020 -2.813 -4.017 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.797 -4.299 -6.877 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.925 -0.556 -4.317 1.00 0.00 H new ATOM 0 HE2 PHE A 78 7.693 -2.037 -7.193 1.00 0.00 H new ATOM 0 HZ PHE A 78 6.757 -0.158 -5.909 1.00 0.00 H new ATOM 1221 N LYS A 79 4.127 -7.533 -7.144 1.00 0.00 N ATOM 1222 CA LYS A 79 4.289 -8.982 -7.208 1.00 0.00 C ATOM 1223 C LYS A 79 5.760 -9.346 -7.329 1.00 0.00 C ATOM 1224 O LYS A 79 6.378 -9.100 -8.369 1.00 0.00 O ATOM 1225 CB LYS A 79 3.582 -9.579 -8.420 1.00 0.00 C ATOM 1226 CG LYS A 79 3.361 -11.085 -8.323 1.00 0.00 C ATOM 1227 CD LYS A 79 2.424 -11.459 -7.187 1.00 0.00 C ATOM 1228 CE LYS A 79 1.002 -10.985 -7.440 1.00 0.00 C ATOM 1229 NZ LYS A 79 0.382 -11.676 -8.601 1.00 0.00 N ATOM 0 H LYS A 79 4.581 -7.024 -7.902 1.00 0.00 H new ATOM 0 HA LYS A 79 3.855 -9.381 -6.291 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.618 -9.087 -8.545 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.168 -9.364 -9.313 1.00 0.00 H new ATOM 0 HG2 LYS A 79 2.951 -11.451 -9.264 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.320 -11.582 -8.178 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.427 -12.541 -7.056 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.791 -11.024 -6.257 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.398 -11.160 -6.550 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.005 -9.910 -7.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.626 -11.425 -8.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.861 -11.382 -9.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.477 -12.705 -8.484 1.00 0.00 H new ATOM 1243 N ASN A 80 6.316 -9.923 -6.274 1.00 0.00 N ATOM 1244 CA ASN A 80 7.634 -10.554 -6.351 1.00 0.00 C ATOM 1245 C ASN A 80 8.711 -9.568 -6.825 1.00 0.00 C ATOM 1246 O ASN A 80 9.375 -9.781 -7.842 1.00 0.00 O ATOM 1247 CB ASN A 80 7.519 -11.762 -7.282 1.00 0.00 C ATOM 1248 CG ASN A 80 8.820 -12.488 -7.542 1.00 0.00 C ATOM 1249 OD1 ASN A 80 9.696 -12.588 -6.680 1.00 0.00 O ATOM 1250 ND2 ASN A 80 8.941 -12.987 -8.758 1.00 0.00 N ATOM 0 H ASN A 80 5.879 -9.970 -5.354 1.00 0.00 H new ATOM 0 HA ASN A 80 7.949 -10.879 -5.359 1.00 0.00 H new ATOM 0 HB2 ASN A 80 6.805 -12.466 -6.854 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.107 -11.431 -8.235 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.791 -13.484 -9.023 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.184 -12.875 -9.433 1.00 0.00 H new ATOM 1257 N GLY A 81 8.845 -8.462 -6.108 1.00 0.00 N ATOM 1258 CA GLY A 81 9.870 -7.482 -6.430 1.00 0.00 C ATOM 1259 C GLY A 81 9.552 -6.692 -7.686 1.00 0.00 C ATOM 1260 O GLY A 81 10.413 -5.999 -8.225 1.00 0.00 O ATOM 0 H GLY A 81 8.262 -8.222 -5.306 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.985 -6.794 -5.592 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.826 -7.991 -6.558 1.00 0.00 H new ATOM 1264 N LYS A 82 8.319 -6.808 -8.158 1.00 0.00 N ATOM 1265 CA LYS A 82 7.854 -6.055 -9.313 1.00 0.00 C ATOM 1266 C LYS A 82 6.528 -5.427 -8.958 1.00 0.00 C ATOM 1267 O LYS A 82 5.871 -5.886 -8.040 1.00 0.00 O ATOM 1268 CB LYS A 82 7.664 -6.963 -10.531 1.00 0.00 C ATOM 1269 CG LYS A 82 8.856 -7.849 -10.849 1.00 0.00 C ATOM 1270 CD LYS A 82 8.603 -8.699 -12.086 1.00 0.00 C ATOM 1271 CE LYS A 82 7.341 -9.545 -11.952 1.00 0.00 C ATOM 1272 NZ LYS A 82 7.358 -10.405 -10.737 1.00 0.00 N ATOM 0 H LYS A 82 7.615 -7.425 -7.752 1.00 0.00 H new ATOM 0 HA LYS A 82 8.597 -5.299 -9.567 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.792 -7.595 -10.364 1.00 0.00 H new ATOM 0 HB3 LYS A 82 7.447 -6.343 -11.400 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.740 -7.230 -11.006 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.067 -8.496 -9.998 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.514 -8.052 -12.958 1.00 0.00 H new ATOM 0 HD3 LYS A 82 9.459 -9.351 -12.259 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.470 -8.890 -11.918 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.233 -10.173 -12.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.769 -11.247 -10.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.335 -10.699 -10.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.982 -9.870 -9.928 1.00 0.00 H new ATOM 1286 N GLU A 83 6.130 -4.391 -9.666 1.00 0.00 N ATOM 1287 CA GLU A 83 4.840 -3.768 -9.429 1.00 0.00 C ATOM 1288 C GLU A 83 3.728 -4.673 -9.963 1.00 0.00 C ATOM 1289 O GLU A 83 3.997 -5.772 -10.453 1.00 0.00 O ATOM 1290 CB GLU A 83 4.809 -2.398 -10.121 1.00 0.00 C ATOM 1291 CG GLU A 83 3.662 -1.497 -9.690 1.00 0.00 C ATOM 1292 CD GLU A 83 3.780 -0.102 -10.270 1.00 0.00 C ATOM 1293 OE1 GLU A 83 4.572 0.703 -9.742 1.00 0.00 O ATOM 1294 OE2 GLU A 83 3.096 0.187 -11.273 1.00 0.00 O ATOM 0 H GLU A 83 6.679 -3.961 -10.410 1.00 0.00 H new ATOM 0 HA GLU A 83 4.683 -3.626 -8.360 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.750 -1.885 -9.924 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.748 -2.551 -11.198 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.717 -1.940 -10.004 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.640 -1.435 -8.602 1.00 0.00 H new ATOM 1301 N VAL A 84 2.489 -4.245 -9.781 1.00 0.00 N ATOM 1302 CA VAL A 84 1.350 -4.800 -10.499 1.00 0.00 C ATOM 1303 C VAL A 84 0.290 -3.728 -10.686 1.00 0.00 C ATOM 1304 O VAL A 84 -0.411 -3.712 -11.694 1.00 0.00 O ATOM 1305 CB VAL A 84 0.713 -6.034 -9.826 1.00 0.00 C ATOM 1306 CG1 VAL A 84 1.379 -7.319 -10.281 1.00 0.00 C ATOM 1307 CG2 VAL A 84 0.782 -5.918 -8.325 1.00 0.00 C ATOM 0 H VAL A 84 2.243 -3.500 -9.129 1.00 0.00 H new ATOM 0 HA VAL A 84 1.741 -5.141 -11.458 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.333 -6.069 -10.129 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.906 -8.168 -9.788 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.273 -7.421 -11.361 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.437 -7.292 -10.022 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.327 -6.798 -7.871 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.824 -5.846 -8.013 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.245 -5.026 -8.004 1.00 0.00 H new ATOM 1317 N ALA A 85 0.190 -2.822 -9.713 1.00 0.00 N ATOM 1318 CA ALA A 85 -0.741 -1.705 -9.801 1.00 0.00 C ATOM 1319 C ALA A 85 -0.466 -0.664 -8.727 1.00 0.00 C ATOM 1320 O ALA A 85 0.096 -0.973 -7.681 1.00 0.00 O ATOM 1321 CB ALA A 85 -2.179 -2.198 -9.709 1.00 0.00 C ATOM 0 H ALA A 85 0.744 -2.843 -8.857 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.595 -1.229 -10.771 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.860 -1.349 -9.777 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.379 -2.890 -10.527 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.329 -2.708 -8.757 1.00 0.00 H new ATOM 1327 N LYS A 86 -0.853 0.573 -8.997 1.00 0.00 N ATOM 1328 CA LYS A 86 -0.707 1.653 -8.034 1.00 0.00 C ATOM 1329 C LYS A 86 -1.836 2.662 -8.201 1.00 0.00 C ATOM 1330 O LYS A 86 -2.173 3.052 -9.320 1.00 0.00 O ATOM 1331 CB LYS A 86 0.654 2.342 -8.181 1.00 0.00 C ATOM 1332 CG LYS A 86 0.924 2.909 -9.568 1.00 0.00 C ATOM 1333 CD LYS A 86 2.297 3.558 -9.651 1.00 0.00 C ATOM 1334 CE LYS A 86 2.428 4.733 -8.691 1.00 0.00 C ATOM 1335 NZ LYS A 86 3.760 5.386 -8.789 1.00 0.00 N ATOM 0 H LYS A 86 -1.274 0.855 -9.882 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.761 1.227 -7.032 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.719 3.150 -7.452 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.439 1.626 -7.935 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.853 2.112 -10.308 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.158 3.644 -9.817 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.063 2.817 -9.424 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.476 3.900 -10.670 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.649 5.465 -8.905 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.268 4.387 -7.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.986 5.851 -7.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.483 4.669 -9.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.744 6.095 -9.549 1.00 0.00 H new ATOM 1349 N VAL A 87 -2.430 3.069 -7.090 1.00 0.00 N ATOM 1350 CA VAL A 87 -3.553 3.993 -7.125 1.00 0.00 C ATOM 1351 C VAL A 87 -3.335 5.122 -6.128 1.00 0.00 C ATOM 1352 O VAL A 87 -3.173 4.877 -4.932 1.00 0.00 O ATOM 1353 CB VAL A 87 -4.892 3.287 -6.809 1.00 0.00 C ATOM 1354 CG1 VAL A 87 -6.064 4.226 -7.052 1.00 0.00 C ATOM 1355 CG2 VAL A 87 -5.050 2.015 -7.630 1.00 0.00 C ATOM 0 H VAL A 87 -2.153 2.774 -6.153 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.609 4.394 -8.137 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.882 3.009 -5.755 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.997 3.710 -6.824 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.967 5.102 -6.411 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.069 4.539 -8.096 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.001 1.540 -7.386 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.029 2.262 -8.691 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.233 1.330 -7.401 1.00 0.00 H new ATOM 1365 N VAL A 88 -3.338 6.352 -6.620 1.00 0.00 N ATOM 1366 CA VAL A 88 -3.103 7.516 -5.772 1.00 0.00 C ATOM 1367 C VAL A 88 -4.403 8.000 -5.127 1.00 0.00 C ATOM 1368 O VAL A 88 -4.786 9.168 -5.250 1.00 0.00 O ATOM 1369 CB VAL A 88 -2.437 8.671 -6.558 1.00 0.00 C ATOM 1370 CG1 VAL A 88 -0.992 8.325 -6.883 1.00 0.00 C ATOM 1371 CG2 VAL A 88 -3.203 8.978 -7.838 1.00 0.00 C ATOM 0 H VAL A 88 -3.501 6.572 -7.603 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.418 7.203 -4.984 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.456 9.561 -5.929 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.537 9.147 -7.436 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.440 8.161 -5.957 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.962 7.419 -7.489 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.712 9.793 -8.369 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.222 8.092 -8.472 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.224 9.269 -7.590 1.00 0.00 H new ATOM 1381 N GLY A 89 -5.076 7.097 -4.428 1.00 0.00 N ATOM 1382 CA GLY A 89 -6.314 7.438 -3.770 1.00 0.00 C ATOM 1383 C GLY A 89 -7.180 6.221 -3.554 1.00 0.00 C ATOM 1384 O GLY A 89 -7.328 5.394 -4.453 1.00 0.00 O ATOM 0 H GLY A 89 -4.781 6.128 -4.306 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.099 7.908 -2.810 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.856 8.170 -4.369 1.00 0.00 H new ATOM 1388 N ALA A 90 -7.746 6.102 -2.369 1.00 0.00 N ATOM 1389 CA ALA A 90 -8.577 4.963 -2.036 1.00 0.00 C ATOM 1390 C ALA A 90 -9.862 4.963 -2.831 1.00 0.00 C ATOM 1391 O ALA A 90 -10.629 5.926 -2.800 1.00 0.00 O ATOM 1392 CB ALA A 90 -8.904 4.974 -0.573 1.00 0.00 C ATOM 0 H ALA A 90 -7.644 6.784 -1.618 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.015 4.063 -2.285 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.529 4.114 -0.333 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -7.982 4.925 0.006 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.439 5.891 -0.327 1.00 0.00 H new ATOM 1398 N ASN A 91 -10.080 3.893 -3.555 1.00 0.00 N ATOM 1399 CA ASN A 91 -11.326 3.706 -4.259 1.00 0.00 C ATOM 1400 C ASN A 91 -12.021 2.463 -3.716 1.00 0.00 C ATOM 1401 O ASN A 91 -11.800 1.368 -4.221 1.00 0.00 O ATOM 1402 CB ASN A 91 -11.050 3.583 -5.754 1.00 0.00 C ATOM 1403 CG ASN A 91 -12.146 4.209 -6.605 1.00 0.00 C ATOM 1404 OD1 ASN A 91 -12.381 3.792 -7.741 1.00 0.00 O ATOM 1405 ND2 ASN A 91 -12.827 5.216 -6.066 1.00 0.00 N ATOM 0 H ASN A 91 -9.408 3.135 -3.673 1.00 0.00 H new ATOM 0 HA ASN A 91 -11.983 4.562 -4.107 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -10.098 4.061 -5.985 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -10.949 2.530 -6.016 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -13.571 5.670 -6.596 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -12.605 5.535 -5.123 1.00 0.00 H new ATOM 1412 N PRO A 92 -12.871 2.641 -2.679 1.00 0.00 N ATOM 1413 CA PRO A 92 -13.463 1.573 -1.866 1.00 0.00 C ATOM 1414 C PRO A 92 -13.497 0.180 -2.504 1.00 0.00 C ATOM 1415 O PRO A 92 -12.648 -0.652 -2.204 1.00 0.00 O ATOM 1416 CB PRO A 92 -14.865 2.117 -1.629 1.00 0.00 C ATOM 1417 CG PRO A 92 -14.674 3.601 -1.515 1.00 0.00 C ATOM 1418 CD PRO A 92 -13.357 3.944 -2.191 1.00 0.00 C ATOM 0 HA PRO A 92 -12.871 1.379 -0.972 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -15.534 1.864 -2.452 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -15.304 1.702 -0.722 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -15.499 4.132 -1.991 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -14.659 3.907 -0.469 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -13.498 4.652 -3.008 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -12.654 4.399 -1.493 1.00 0.00 H new ATOM 1426 N ALA A 93 -14.449 -0.060 -3.396 1.00 0.00 N ATOM 1427 CA ALA A 93 -14.648 -1.394 -3.960 1.00 0.00 C ATOM 1428 C ALA A 93 -13.711 -1.654 -5.132 1.00 0.00 C ATOM 1429 O ALA A 93 -13.286 -2.787 -5.351 1.00 0.00 O ATOM 1430 CB ALA A 93 -16.096 -1.568 -4.387 1.00 0.00 C ATOM 0 H ALA A 93 -15.095 0.648 -3.746 1.00 0.00 H new ATOM 0 HA ALA A 93 -14.413 -2.125 -3.186 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.235 -2.565 -4.806 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -16.748 -1.444 -3.522 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -16.346 -0.820 -5.140 1.00 0.00 H new ATOM 1436 N ALA A 94 -13.376 -0.604 -5.871 1.00 0.00 N ATOM 1437 CA ALA A 94 -12.484 -0.739 -7.016 1.00 0.00 C ATOM 1438 C ALA A 94 -11.103 -1.199 -6.576 1.00 0.00 C ATOM 1439 O ALA A 94 -10.412 -1.906 -7.311 1.00 0.00 O ATOM 1440 CB ALA A 94 -12.383 0.570 -7.774 1.00 0.00 C ATOM 0 H ALA A 94 -13.706 0.346 -5.700 1.00 0.00 H new ATOM 0 HA ALA A 94 -12.903 -1.494 -7.680 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.712 0.447 -8.625 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -13.371 0.861 -8.130 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -11.993 1.344 -7.113 1.00 0.00 H new ATOM 1446 N ILE A 95 -10.702 -0.793 -5.380 1.00 0.00 N ATOM 1447 CA ILE A 95 -9.447 -1.245 -4.814 1.00 0.00 C ATOM 1448 C ILE A 95 -9.549 -2.707 -4.414 1.00 0.00 C ATOM 1449 O ILE A 95 -8.649 -3.494 -4.692 1.00 0.00 O ATOM 1450 CB ILE A 95 -9.018 -0.411 -3.589 1.00 0.00 C ATOM 1451 CG1 ILE A 95 -8.707 1.032 -3.998 1.00 0.00 C ATOM 1452 CG2 ILE A 95 -7.811 -1.044 -2.915 1.00 0.00 C ATOM 1453 CD1 ILE A 95 -7.620 1.155 -5.045 1.00 0.00 C ATOM 0 H ILE A 95 -11.229 -0.152 -4.786 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.688 -1.118 -5.586 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.845 -0.394 -2.879 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -9.617 1.495 -4.378 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.409 1.594 -3.112 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.520 -0.444 -2.053 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.064 -2.052 -2.587 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.982 -1.090 -3.621 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -7.459 2.207 -5.280 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.695 0.723 -4.662 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.922 0.623 -5.947 1.00 0.00 H new ATOM 1465 N LYS A 96 -10.660 -3.074 -3.784 1.00 0.00 N ATOM 1466 CA LYS A 96 -10.863 -4.455 -3.369 1.00 0.00 C ATOM 1467 C LYS A 96 -10.875 -5.354 -4.606 1.00 0.00 C ATOM 1468 O LYS A 96 -10.386 -6.484 -4.585 1.00 0.00 O ATOM 1469 CB LYS A 96 -12.169 -4.620 -2.575 1.00 0.00 C ATOM 1470 CG LYS A 96 -12.469 -3.488 -1.615 1.00 0.00 C ATOM 1471 CD LYS A 96 -11.534 -3.488 -0.424 1.00 0.00 C ATOM 1472 CE LYS A 96 -11.915 -2.402 0.563 1.00 0.00 C ATOM 1473 NZ LYS A 96 -13.309 -2.568 1.058 1.00 0.00 N ATOM 0 H LYS A 96 -11.426 -2.441 -3.552 1.00 0.00 H new ATOM 0 HA LYS A 96 -10.044 -4.744 -2.710 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.997 -4.712 -3.278 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.122 -5.553 -2.013 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.386 -2.536 -2.140 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -13.499 -3.572 -1.267 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -11.566 -4.460 0.068 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -10.509 -3.335 -0.761 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.225 -2.420 1.407 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -11.812 -1.427 0.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.430 -2.031 1.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -13.976 -2.214 0.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -13.496 -3.575 1.237 1.00 0.00 H new ATOM 1487 N GLN A 97 -11.420 -4.823 -5.693 1.00 0.00 N ATOM 1488 CA GLN A 97 -11.400 -5.506 -6.976 1.00 0.00 C ATOM 1489 C GLN A 97 -9.980 -5.555 -7.532 1.00 0.00 C ATOM 1490 O GLN A 97 -9.569 -6.560 -8.124 1.00 0.00 O ATOM 1491 CB GLN A 97 -12.321 -4.792 -7.968 1.00 0.00 C ATOM 1492 CG GLN A 97 -12.380 -5.462 -9.330 1.00 0.00 C ATOM 1493 CD GLN A 97 -13.030 -4.592 -10.386 1.00 0.00 C ATOM 1494 OE1 GLN A 97 -13.893 -3.765 -10.087 1.00 0.00 O ATOM 1495 NE2 GLN A 97 -12.624 -4.780 -11.631 1.00 0.00 N ATOM 0 H GLN A 97 -11.884 -3.915 -5.709 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.755 -6.526 -6.829 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -13.327 -4.747 -7.550 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -11.981 -3.764 -8.092 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -11.369 -5.717 -9.648 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -12.933 -6.397 -9.246 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -11.906 -5.476 -11.834 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -13.029 -4.229 -12.388 1.00 0.00 H new ATOM 1504 N ALA A 98 -9.226 -4.477 -7.323 1.00 0.00 N ATOM 1505 CA ALA A 98 -7.868 -4.400 -7.817 1.00 0.00 C ATOM 1506 C ALA A 98 -7.069 -5.534 -7.240 1.00 0.00 C ATOM 1507 O ALA A 98 -6.622 -6.405 -7.969 1.00 0.00 O ATOM 1508 CB ALA A 98 -7.237 -3.065 -7.468 1.00 0.00 C ATOM 0 H ALA A 98 -9.539 -3.650 -6.815 1.00 0.00 H new ATOM 0 HA ALA A 98 -7.879 -4.482 -8.904 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.217 -3.034 -7.851 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.818 -2.259 -7.917 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.222 -2.942 -6.385 1.00 0.00 H new ATOM 1514 N ILE A 99 -6.967 -5.550 -5.921 1.00 0.00 N ATOM 1515 CA ILE A 99 -6.167 -6.533 -5.197 1.00 0.00 C ATOM 1516 C ILE A 99 -6.466 -7.948 -5.695 1.00 0.00 C ATOM 1517 O ILE A 99 -5.578 -8.789 -5.778 1.00 0.00 O ATOM 1518 CB ILE A 99 -6.443 -6.488 -3.674 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -6.598 -5.051 -3.173 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -5.328 -7.196 -2.921 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -5.566 -4.102 -3.716 1.00 0.00 C ATOM 0 H ILE A 99 -7.439 -4.878 -5.316 1.00 0.00 H new ATOM 0 HA ILE A 99 -5.123 -6.281 -5.381 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.384 -7.005 -3.487 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.589 -4.687 -3.443 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -6.543 -5.048 -2.084 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.531 -7.159 -1.851 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -5.274 -8.236 -3.244 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.379 -6.702 -3.127 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.743 -3.104 -3.315 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.572 -4.440 -3.424 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.634 -4.073 -4.803 1.00 0.00 H new ATOM 1533 N ALA A 100 -7.724 -8.188 -6.051 1.00 0.00 N ATOM 1534 CA ALA A 100 -8.155 -9.502 -6.511 1.00 0.00 C ATOM 1535 C ALA A 100 -7.738 -9.767 -7.961 1.00 0.00 C ATOM 1536 O ALA A 100 -7.649 -10.918 -8.389 1.00 0.00 O ATOM 1537 CB ALA A 100 -9.663 -9.638 -6.363 1.00 0.00 C ATOM 0 H ALA A 100 -8.464 -7.487 -6.029 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.661 -10.248 -5.888 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.975 -10.623 -6.709 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.938 -9.518 -5.315 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.158 -8.871 -6.958 1.00 0.00 H new ATOM 1543 N ALA A 101 -7.471 -8.706 -8.713 1.00 0.00 N ATOM 1544 CA ALA A 101 -7.127 -8.832 -10.117 1.00 0.00 C ATOM 1545 C ALA A 101 -5.622 -8.980 -10.280 1.00 0.00 C ATOM 1546 O ALA A 101 -5.140 -9.643 -11.202 1.00 0.00 O ATOM 1547 CB ALA A 101 -7.629 -7.623 -10.889 1.00 0.00 C ATOM 0 H ALA A 101 -7.487 -7.746 -8.368 1.00 0.00 H new ATOM 0 HA ALA A 101 -7.607 -9.725 -10.518 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.365 -7.728 -11.941 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.712 -7.553 -10.792 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.170 -6.719 -10.488 1.00 0.00 H new ATOM 1553 N ASN A 102 -4.884 -8.352 -9.381 1.00 0.00 N ATOM 1554 CA ASN A 102 -3.432 -8.397 -9.427 1.00 0.00 C ATOM 1555 C ASN A 102 -2.877 -9.546 -8.596 1.00 0.00 C ATOM 1556 O ASN A 102 -1.706 -9.901 -8.732 1.00 0.00 O ATOM 1557 CB ASN A 102 -2.820 -7.054 -8.999 1.00 0.00 C ATOM 1558 CG ASN A 102 -3.554 -6.335 -7.895 1.00 0.00 C ATOM 1559 OD1 ASN A 102 -3.388 -6.624 -6.722 1.00 0.00 O ATOM 1560 ND2 ASN A 102 -4.364 -5.358 -8.265 1.00 0.00 N ATOM 0 H ASN A 102 -5.266 -7.805 -8.610 1.00 0.00 H new ATOM 0 HA ASN A 102 -3.146 -8.579 -10.463 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -1.793 -7.227 -8.677 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -2.775 -6.400 -9.870 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -4.871 -4.822 -7.561 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -4.482 -5.140 -9.255 1.00 0.00 H new ATOM 1567 N ALA A 103 -3.713 -10.138 -7.755 1.00 0.00 N ATOM 1568 CA ALA A 103 -3.299 -11.283 -6.955 1.00 0.00 C ATOM 1569 C ALA A 103 -3.247 -12.545 -7.802 1.00 0.00 C ATOM 1570 O ALA A 103 -4.312 -13.148 -8.040 1.00 0.00 O ATOM 1571 CB ALA A 103 -4.229 -11.477 -5.768 1.00 0.00 C ATOM 1572 OXT ALA A 103 -2.139 -12.929 -8.232 1.00 0.00 O ATOM 0 H ALA A 103 -4.679 -9.846 -7.609 1.00 0.00 H new ATOM 0 HA ALA A 103 -2.296 -11.083 -6.576 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -3.900 -12.337 -5.185 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -4.210 -10.585 -5.141 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.245 -11.647 -6.125 1.00 0.00 H new TER 1578 ALA A 103